1 MET 1 N 0.0092 -0.0019 -0.0076 2 MET 1 H1 0.0096 -0.0025 -0.0085 3 MET 1 H2 0.0093 -0.0014 -0.0062 4 MET 1 H3 0.0079 -0.0011 -0.0082 5 MET 1 CA 0.0098 -0.0023 -0.0074 6 MET 1 HA 0.0090 -0.0014 -0.0067 7 MET 1 CB 0.0118 -0.0033 -0.0062 8 MET 1 HB1 0.0120 -0.0030 -0.0048 9 MET 1 HB2 0.0127 -0.0043 -0.0071 10 MET 1 CG 0.0123 -0.0035 -0.0055 11 MET 1 HG1 0.0126 -0.0041 -0.0066 12 MET 1 HG2 0.0113 -0.0025 -0.0047 13 MET 1 SD 0.0144 -0.0044 -0.0037 14 MET 1 CE 0.0148 -0.0043 -0.0025 15 MET 1 HE1 0.0137 -0.0033 -0.0021 16 MET 1 HE2 0.0158 -0.0045 -0.0011 17 MET 1 HE3 0.0152 -0.0049 -0.0035 18 MET 1 C 0.0097 -0.0030 -0.0095 19 MET 1 O 0.0104 -0.0039 -0.0108 20 ALA 2 N 0.0091 -0.0026 -0.0098 21 ALA 2 H 0.0084 -0.0017 -0.0087 22 ALA 2 CA 0.0091 -0.0033 -0.0117 23 ALA 2 HA 0.0103 -0.0044 -0.0121 24 ALA 2 CB 0.0076 -0.0028 -0.0134 25 ALA 2 HB1 0.0063 -0.0017 -0.0129 26 ALA 2 HB2 0.0075 -0.0033 -0.0147 27 ALA 2 HB3 0.0077 -0.0030 -0.0138 28 ALA 2 C 0.0090 -0.0031 -0.0113 29 ALA 2 O 0.0078 -0.0019 -0.0105 30 ASP 3 N 0.0102 -0.0049 -0.0128 31 ASP 3 H 0.0103 -0.0046 -0.0121 32 ASP 3 CA 0.0123 -0.0065 -0.0135 33 ASP 3 HA 0.0122 -0.0070 -0.0151 34 ASP 3 CB 0.0132 -0.0074 -0.0145 35 ASP 3 HB1 0.0119 -0.0072 -0.0160 36 ASP 3 HB2 0.0134 -0.0070 -0.0131 37 ASP 3 CG 0.0152 -0.0092 -0.0158 38 ASP 3 OD1 0.0157 -0.0098 -0.0165 39 ASP 3 OD2 0.0163 -0.0101 -0.0163 40 ASP 3 C 0.0141 -0.0068 -0.0111 41 ASP 3 O 0.0134 -0.0056 -0.0091 42 LYS 4 N 0.0162 -0.0081 -0.0112 43 LYS 4 H 0.0166 -0.0090 -0.0129 44 LYS 4 CA 0.0177 -0.0083 -0.0091 45 LYS 4 HA 0.0167 -0.0072 -0.0079 46 LYS 4 CB 0.0190 -0.0096 -0.0103 47 LYS 4 HB1 0.0201 -0.0097 -0.0088 48 LYS 4 HB2 0.0178 -0.0092 -0.0114 49 LYS 4 CG 0.0205 -0.0113 -0.0122 50 LYS 4 HG1 0.0197 -0.0112 -0.0135 51 LYS 4 HG2 0.0220 -0.0119 -0.0113 52 LYS 4 CD 0.0214 -0.0123 -0.0135 53 LYS 4 HD1 0.0219 -0.0121 -0.0121 54 LYS 4 HD2 0.0199 -0.0119 -0.0148 55 LYS 4 CE 0.0234 -0.0141 -0.0150 56 LYS 4 HE1 0.0233 -0.0144 -0.0160 57 LYS 4 HE2 0.0251 -0.0147 -0.0138 58 LYS 4 NZ 0.0232 -0.0148 -0.0172 59 LYS 4 HZ1 0.0219 -0.0145 -0.0186 60 LYS 4 HZ2 0.0247 -0.0160 -0.0176 61 LYS 4 HZ3 0.0233 -0.0147 -0.0167 62 LYS 4 C 0.0195 -0.0089 -0.0076 63 LYS 4 O 0.0212 -0.0094 -0.0061 64 ALA 5 N 0.0191 -0.0094 -0.0089 65 ALA 5 H 0.0176 -0.0087 -0.0103 66 ALA 5 CA 0.0201 -0.0100 -0.0086 67 ALA 5 HA 0.0213 -0.0116 -0.0097 68 ALA 5 CB 0.0182 -0.0088 -0.0095 69 ALA 5 HB1 0.0188 -0.0091 -0.0089 70 ALA 5 HB2 0.0177 -0.0096 -0.0116 71 ALA 5 HB3 0.0167 -0.0072 -0.0088 72 ALA 5 C 0.0213 -0.0096 -0.0056 73 ALA 5 O 0.0207 -0.0081 -0.0039 74 LYS 6 N 0.0229 -0.0106 -0.0050 75 LYS 6 H 0.0233 -0.0117 -0.0066 76 LYS 6 CA 0.0242 -0.0104 -0.0025 77 LYS 6 HA 0.0232 -0.0088 -0.0012 78 LYS 6 CB 0.0263 -0.0115 -0.0011 79 LYS 6 HB1 0.0258 -0.0110 -0.0011 80 LYS 6 HB2 0.0273 -0.0131 -0.0025 81 LYS 6 CG 0.0278 -0.0113 0.0016 82 LYS 6 HG1 0.0284 -0.0119 0.0016 83 LYS 6 HG2 0.0267 -0.0097 0.0029 84 LYS 6 CD 0.0296 -0.0120 0.0033 85 LYS 6 HD1 0.0287 -0.0113 0.0032 86 LYS 6 HD2 0.0310 -0.0136 0.0025 87 LYS 6 CE 0.0308 -0.0116 0.0060 88 LYS 6 HE1 0.0317 -0.0126 0.0056 89 LYS 6 HE2 0.0295 -0.0100 0.0069 90 LYS 6 NZ 0.0325 -0.0121 0.0078 91 LYS 6 HZ1 0.0336 -0.0135 0.0069 92 LYS 6 HZ2 0.0333 -0.0119 0.0095 93 LYS 6 HZ3 0.0317 -0.0112 0.0083 94 LYS 6 C 0.0251 -0.0114 -0.0030 95 LYS 6 O 0.0262 -0.0132 -0.0046 96 PRO 7 N 0.0245 -0.0100 -0.0024 97 PRO 7 CA 0.0232 -0.0081 -0.0006 98 PRO 7 HA 0.0234 -0.0077 0.0007 99 PRO 7 CB 0.0238 -0.0079 0.0007 100 PRO 7 HB1 0.0224 -0.0067 0.0012 101 PRO 7 HB2 0.0249 -0.0079 0.0025 102 PRO 7 CG 0.0244 -0.0093 -0.0010 103 PRO 7 HG1 0.0229 -0.0087 -0.0021 104 PRO 7 HG2 0.0255 -0.0097 -0.0002 105 PRO 7 CD 0.0254 -0.0108 -0.0027 106 PRO 7 HD1 0.0250 -0.0114 -0.0046 107 PRO 7 HD2 0.0271 -0.0118 -0.0020 108 PRO 7 C 0.0207 -0.0069 -0.0020 109 PRO 7 O 0.0199 -0.0073 -0.0040 110 ALA 8 N 0.0195 -0.0054 -0.0007 111 ALA 8 H 0.0204 -0.0053 0.0009 112 ALA 8 CA 0.0172 -0.0040 -0.0014 113 ALA 8 HA 0.0163 -0.0036 -0.0020 114 ALA 8 CB 0.0169 -0.0047 -0.0034 115 ALA 8 HB1 0.0152 -0.0038 -0.0041 116 ALA 8 HB2 0.0175 -0.0059 -0.0049 117 ALA 8 HB3 0.0176 -0.0049 -0.0027 118 ALA 8 C 0.0167 -0.0024 0.0010 119 ALA 8 O 0.0181 -0.0028 0.0026 120 LYS 9 N 0.0149 -0.0010 0.0003 121 LYS 9 H 0.0140 -0.0009 -0.0008 122 LYS 9 CA 0.0140 0.0002 0.0021 123 LYS 9 HA 0.0149 -0.0000 0.0028 124 LYS 9 CB 0.0143 0.0006 0.0037 125 LYS 9 HB1 0.0135 0.0015 0.0050 126 LYS 9 HB2 0.0158 0.0002 0.0045 127 LYS 9 CG 0.0139 0.0005 0.0027 128 LYS 9 HG1 0.0147 -0.0005 0.0014 129 LYS 9 HG2 0.0124 0.0010 0.0020 130 LYS 9 CD 0.0147 0.0007 0.0043 131 LYS 9 HD1 0.0140 0.0016 0.0057 132 LYS 9 HD2 0.0163 0.0001 0.0049 133 LYS 9 CE 0.0144 0.0005 0.0035 134 LYS 9 HE1 0.0152 -0.0004 0.0022 135 LYS 9 HE2 0.0128 0.0012 0.0032 136 LYS 9 NZ 0.0152 0.0008 0.0052 137 LYS 9 HZ1 0.0147 0.0016 0.0065 138 LYS 9 HZ2 0.0167 0.0002 0.0056 139 LYS 9 HZ3 0.0146 0.0009 0.0047 140 LYS 9 C 0.0118 0.0011 0.0016 141 LYS 9 O 0.0105 0.0016 0.0011 142 ALA 10 N 0.0112 0.0014 0.0015 143 ALA 10 H 0.0097 0.0021 0.0012 144 ALA 10 CA 0.0124 0.0009 0.0017 145 ALA 10 HA 0.0134 -0.0001 0.0006 146 ALA 10 CB 0.0134 0.0013 0.0040 147 ALA 10 HB1 0.0124 0.0021 0.0050 148 ALA 10 HB2 0.0147 0.0006 0.0041 149 ALA 10 HB3 0.0137 0.0014 0.0048 150 ALA 10 C 0.0111 0.0012 0.0008 151 ALA 10 O 0.0093 0.0022 0.0009 152 ALA 11 N 0.0115 0.0007 -0.0009 153 ALA 11 H 0.0125 0.0003 -0.0008 154 ALA 11 CA 0.0108 0.0008 -0.0016 155 ALA 11 HA 0.0099 0.0011 -0.0021 156 ALA 11 CB 0.0115 0.0002 -0.0029 157 ALA 11 HB1 0.0113 0.0002 -0.0032 158 ALA 11 HB2 0.0112 0.0001 -0.0037 159 ALA 11 HB3 0.0125 -0.0002 -0.0028 160 ALA 11 C 0.0107 0.0011 -0.0007 161 ALA 11 O 0.0114 0.0008 -0.0008 162 ASN 12 N 0.0099 0.0017 0.0002 163 ASN 12 H 0.0094 0.0019 0.0003 164 ASN 12 CA 0.0097 0.0020 0.0011 165 ASN 12 HA 0.0106 0.0018 0.0016 166 ASN 12 CB 0.0088 0.0026 0.0021 167 ASN 12 HB1 0.0082 0.0028 0.0016 168 ASN 12 HB2 0.0083 0.0030 0.0025 169 ASN 12 CG 0.0095 0.0026 0.0032 170 ASN 12 OD1 0.0103 0.0022 0.0030 171 ASN 12 ND2 0.0092 0.0031 0.0044 172 ASN 12 HD21 0.0086 0.0034 0.0045 173 ASN 12 HD22 0.0098 0.0031 0.0053 174 ASN 12 C 0.0090 0.0021 0.0003 175 ASN 12 O 0.0086 0.0020 -0.0008 176 ARG 13 N 0.0065 0.0032 -0.0013 177 ARG 13 H 0.0069 0.0030 -0.0006 178 ARG 13 CA 0.0058 0.0035 -0.0016 179 ARG 13 HA 0.0059 0.0034 -0.0024 180 ARG 13 CB 0.0058 0.0035 -0.0009 181 ARG 13 HB1 0.0065 0.0031 -0.0008 182 ARG 13 HB2 0.0055 0.0037 -0.0000 183 ARG 13 CG 0.0053 0.0038 -0.0014 184 ARG 13 HG1 0.0045 0.0042 -0.0014 185 ARG 13 HG2 0.0055 0.0037 -0.0022 186 ARG 13 CD 0.0054 0.0037 -0.0008 187 ARG 13 HD1 0.0053 0.0038 -0.0013 188 ARG 13 HD2 0.0061 0.0034 -0.0005 189 ARG 13 NE 0.0047 0.0041 0.0001 190 ARG 13 HE 0.0041 0.0044 -0.0002 191 ARG 13 CZ 0.0048 0.0041 0.0011 192 ARG 13 NH1 0.0056 0.0036 0.0015 193 ARG 13 HH11 0.0063 0.0033 0.0012 194 ARG 13 HH12 0.0056 0.0037 0.0022 195 ARG 13 NH2 0.0040 0.0045 0.0018 196 ARG 13 HH21 0.0035 0.0048 0.0015 197 ARG 13 HH22 0.0042 0.0044 0.0026 198 ARG 13 C 0.0048 0.0040 -0.0015 199 ARG 13 O 0.0045 0.0042 -0.0006 200 THR 14 N 0.0042 0.0043 -0.0024 201 THR 14 H 0.0045 0.0042 -0.0031 202 THR 14 CA 0.0033 0.0048 -0.0026 203 THR 14 HA 0.0035 0.0047 -0.0024 204 THR 14 CB 0.0031 0.0049 -0.0039 205 THR 14 HB 0.0023 0.0053 -0.0040 206 THR 14 OG1 0.0031 0.0048 -0.0044 207 THR 14 HG1 0.0027 0.0051 -0.0042 208 THR 14 CG2 0.0036 0.0046 -0.0045 209 THR 14 HG21 0.0034 0.0047 -0.0053 210 THR 14 HG22 0.0034 0.0047 -0.0042 211 THR 14 HG23 0.0044 0.0042 -0.0044 212 THR 14 C 0.0025 0.0052 -0.0019 213 THR 14 O 0.0026 0.0052 -0.0017 214 PRO 15 N 0.0029 0.0067 -0.0026 215 PRO 15 CA 0.0024 0.0070 -0.0023 216 PRO 15 HA 0.0029 0.0071 -0.0018 217 PRO 15 CB 0.0017 0.0075 -0.0020 218 PRO 15 HB1 0.0011 0.0077 -0.0022 219 PRO 15 HB2 0.0018 0.0078 -0.0013 220 PRO 15 CG 0.0017 0.0073 -0.0024 221 PRO 15 HG1 0.0012 0.0073 -0.0029 222 PRO 15 HG2 0.0015 0.0076 -0.0019 223 PRO 15 CD 0.0025 0.0069 -0.0026 224 PRO 15 HD1 0.0024 0.0067 -0.0031 225 PRO 15 HD2 0.0029 0.0070 -0.0021 226 PRO 15 C 0.0021 0.0069 -0.0029 227 PRO 15 O 0.0018 0.0067 -0.0036 228 PRO 16 N 0.0022 0.0070 -0.0027 229 PRO 16 CA 0.0019 0.0068 -0.0032 230 PRO 16 HA 0.0022 0.0064 -0.0038 231 PRO 16 CB 0.0023 0.0069 -0.0028 232 PRO 16 HB1 0.0020 0.0070 -0.0029 233 PRO 16 HB2 0.0029 0.0066 -0.0029 234 PRO 16 CG 0.0023 0.0073 -0.0019 235 PRO 16 HG1 0.0017 0.0076 -0.0017 236 PRO 16 HG2 0.0028 0.0073 -0.0014 237 PRO 16 CD 0.0025 0.0072 -0.0019 238 PRO 16 HD1 0.0023 0.0075 -0.0013 239 PRO 16 HD2 0.0032 0.0070 -0.0018 240 PRO 16 C 0.0010 0.0071 -0.0035 241 PRO 16 O 0.0006 0.0076 -0.0029 242 LYS 17 N 0.0009 0.0072 -0.0052 243 LYS 17 H 0.0012 0.0071 -0.0054 244 LYS 17 CA 0.0004 0.0071 -0.0053 245 LYS 17 HA 0.0004 0.0070 -0.0057 246 LYS 17 CB 0.0003 0.0072 -0.0053 247 LYS 17 HB1 0.0002 0.0073 -0.0050 248 LYS 17 HB2 -0.0001 0.0070 -0.0055 249 LYS 17 CG 0.0007 0.0070 -0.0055 250 LYS 17 HG1 0.0010 0.0071 -0.0054 251 LYS 17 HG2 0.0005 0.0071 -0.0055 252 LYS 17 CD 0.0007 0.0067 -0.0061 253 LYS 17 HD1 0.0003 0.0067 -0.0062 254 LYS 17 HD2 0.0008 0.0067 -0.0061 255 LYS 17 CE 0.0011 0.0066 -0.0063 256 LYS 17 HE1 0.0015 0.0067 -0.0061 257 LYS 17 HE2 0.0010 0.0066 -0.0064 258 LYS 17 NZ 0.0013 0.0064 -0.0067 259 LYS 17 HZ1 0.0010 0.0063 -0.0069 260 LYS 17 HZ2 0.0014 0.0064 -0.0066 261 LYS 17 HZ3 0.0015 0.0063 -0.0069 262 LYS 17 C 0.0000 0.0073 -0.0051 263 LYS 17 O -0.0003 0.0074 -0.0049 264 SER 18 N 0.0001 0.0073 -0.0051 265 SER 18 H 0.0004 0.0072 -0.0053 266 SER 18 CA -0.0001 0.0074 -0.0049 267 SER 18 HA -0.0005 0.0074 -0.0048 268 SER 18 CB 0.0000 0.0077 -0.0043 269 SER 18 HB1 0.0004 0.0077 -0.0043 270 SER 18 HB2 -0.0001 0.0077 -0.0042 271 SER 18 OG -0.0002 0.0078 -0.0041 272 SER 18 HG -0.0001 0.0077 -0.0042 273 SER 18 C -0.0001 0.0073 -0.0051 274 SER 18 O 0.0002 0.0073 -0.0049 275 PRO 19 N 0.0002 0.0077 -0.0058 276 PRO 19 CA -0.0000 0.0073 -0.0061 277 PRO 19 HA 0.0003 0.0071 -0.0061 278 PRO 19 CB -0.0002 0.0071 -0.0063 279 PRO 19 HB1 -0.0005 0.0069 -0.0066 280 PRO 19 HB2 0.0001 0.0068 -0.0064 281 PRO 19 CG -0.0002 0.0074 -0.0062 282 PRO 19 HG1 -0.0006 0.0076 -0.0062 283 PRO 19 HG2 -0.0001 0.0072 -0.0062 284 PRO 19 CD 0.0001 0.0077 -0.0058 285 PRO 19 HD1 0.0000 0.0080 -0.0057 286 PRO 19 HD2 0.0005 0.0075 -0.0058 287 PRO 19 C -0.0004 0.0076 -0.0062 288 PRO 19 O -0.0007 0.0079 -0.0061 289 GLY 20 N -0.0004 0.0075 -0.0062 290 GLY 20 H -0.0002 0.0073 -0.0062 291 GLY 20 CA -0.0008 0.0077 -0.0063 292 GLY 20 HA1 -0.0009 0.0075 -0.0065 293 GLY 20 HA2 -0.0011 0.0079 -0.0063 294 GLY 20 C -0.0006 0.0080 -0.0060 295 GLY 20 O -0.0008 0.0082 -0.0060 296 ASP 21 N -0.0005 0.0075 -0.0053 297 ASP 21 H -0.0003 0.0073 -0.0054 298 ASP 21 CA -0.0001 0.0077 -0.0045 299 ASP 21 HA -0.0002 0.0077 -0.0045 300 ASP 21 CB -0.0004 0.0083 -0.0039 301 ASP 21 HB1 -0.0010 0.0087 -0.0041 302 ASP 21 HB2 -0.0004 0.0084 -0.0038 303 ASP 21 CG -0.0001 0.0086 -0.0031 304 ASP 21 OD1 -0.0004 0.0092 -0.0025 305 ASP 21 OD2 0.0003 0.0083 -0.0030 306 ASP 21 C 0.0007 0.0071 -0.0043 307 ASP 21 O 0.0009 0.0070 -0.0041 308 PRO 22 N 0.0012 0.0066 -0.0043 309 PRO 22 CA 0.0011 0.0067 -0.0045 310 PRO 22 HA 0.0007 0.0071 -0.0042 311 PRO 22 CB 0.0018 0.0061 -0.0043 312 PRO 22 HB1 0.0019 0.0058 -0.0047 313 PRO 22 HB2 0.0020 0.0064 -0.0036 314 PRO 22 CG 0.0024 0.0057 -0.0042 315 PRO 22 HG1 0.0024 0.0052 -0.0048 316 PRO 22 HG2 0.0029 0.0055 -0.0038 317 PRO 22 CD 0.0020 0.0061 -0.0041 318 PRO 22 HD1 0.0021 0.0058 -0.0043 319 PRO 22 HD2 0.0021 0.0064 -0.0034 320 PRO 22 C 0.0007 0.0064 -0.0054 321 PRO 22 O 0.0007 0.0061 -0.0059 322 SER 23 N 0.0002 0.0070 -0.0057 323 SER 23 H 0.0004 0.0075 -0.0049 324 SER 23 CA -0.0001 0.0063 -0.0070 325 SER 23 HA 0.0007 0.0055 -0.0074 326 SER 23 CB -0.0014 0.0065 -0.0079 327 SER 23 HB1 -0.0012 0.0064 -0.0079 328 SER 23 HB2 -0.0022 0.0073 -0.0075 329 SER 23 OG -0.0019 0.0059 -0.0091 330 SER 23 HG -0.0012 0.0052 -0.0094 331 SER 23 C -0.0002 0.0063 -0.0069 332 SER 23 O -0.0004 0.0072 -0.0061 333 LYS 24 N 0.0002 0.0055 -0.0078 334 LYS 24 H 0.0003 0.0049 -0.0086 335 LYS 24 CA 0.0002 0.0053 -0.0080 336 LYS 24 HA -0.0008 0.0059 -0.0081 337 LYS 24 CB 0.0011 0.0056 -0.0069 338 LYS 24 HB1 0.0010 0.0063 -0.0060 339 LYS 24 HB2 0.0021 0.0049 -0.0069 340 LYS 24 CG 0.0008 0.0058 -0.0069 341 LYS 24 HG1 0.0007 0.0051 -0.0078 342 LYS 24 HG2 -0.0003 0.0065 -0.0069 343 LYS 24 CD 0.0018 0.0058 -0.0059 344 LYS 24 HD1 0.0022 0.0063 -0.0049 345 LYS 24 HD2 0.0026 0.0050 -0.0063 346 LYS 24 CE 0.0012 0.0064 -0.0056 347 LYS 24 HE1 0.0007 0.0061 -0.0066 348 LYS 24 HE2 0.0004 0.0073 -0.0053 349 LYS 24 NZ 0.0021 0.0065 -0.0047 350 LYS 24 HZ1 0.0018 0.0064 -0.0051 351 LYS 24 HZ2 0.0017 0.0073 -0.0040 352 LYS 24 HZ3 0.0030 0.0062 -0.0044 353 LYS 24 C 0.0005 0.0041 -0.0093 354 LYS 24 O 0.0012 0.0035 -0.0095 355 ASP 25 N -0.0001 0.0044 -0.0111 356 ASP 25 H -0.0009 0.0051 -0.0111 357 ASP 25 CA 0.0001 0.0029 -0.0128 358 ASP 25 HA 0.0003 0.0025 -0.0130 359 ASP 25 CB -0.0013 0.0031 -0.0144 360 ASP 25 HB1 -0.0021 0.0037 -0.0147 361 ASP 25 HB2 -0.0018 0.0039 -0.0141 362 ASP 25 CG -0.0010 0.0016 -0.0160 363 ASP 25 OD1 -0.0011 0.0014 -0.0165 364 ASP 25 OD2 -0.0008 0.0008 -0.0169 365 ASP 25 C 0.0017 0.0017 -0.0124 366 ASP 25 O 0.0026 0.0003 -0.0130 367 ARG 26 N 0.0019 0.0021 -0.0115 368 ARG 26 H 0.0011 0.0032 -0.0109 369 ARG 26 CA 0.0031 0.0011 -0.0112 370 ARG 26 HA 0.0040 0.0000 -0.0114 371 ARG 26 CB 0.0025 0.0006 -0.0127 372 ARG 26 HB1 0.0022 -0.0000 -0.0140 373 ARG 26 HB2 0.0014 0.0016 -0.0128 374 ARG 26 CG 0.0037 -0.0005 -0.0125 375 ARG 26 HG1 0.0036 0.0003 -0.0116 376 ARG 26 HG2 0.0048 -0.0012 -0.0119 377 ARG 26 CD 0.0036 -0.0016 -0.0142 378 ARG 26 HD1 0.0025 -0.0011 -0.0150 379 ARG 26 HD2 0.0044 -0.0021 -0.0139 380 ARG 26 NE 0.0039 -0.0028 -0.0153 381 ARG 26 HE 0.0041 -0.0026 -0.0148 382 ARG 26 CZ 0.0044 -0.0041 -0.0165 383 ARG 26 NH1 0.0043 -0.0045 -0.0171 384 ARG 26 HH11 0.0038 -0.0037 -0.0168 385 ARG 26 HH12 0.0042 -0.0053 -0.0184 386 ARG 26 NH2 0.0050 -0.0053 -0.0173 387 ARG 26 HH21 0.0052 -0.0052 -0.0169 388 ARG 26 HH22 0.0054 -0.0063 -0.0181 389 ARG 26 C 0.0037 0.0018 -0.0095 390 ARG 26 O 0.0031 0.0026 -0.0091 391 ALA 27 N 0.0049 0.0015 -0.0082 392 ALA 27 H 0.0052 0.0010 -0.0088 393 ALA 27 CA 0.0060 0.0018 -0.0061 394 ALA 27 HA 0.0053 0.0026 -0.0053 395 ALA 27 CB 0.0062 0.0023 -0.0048 396 ALA 27 HB1 0.0064 0.0017 -0.0056 397 ALA 27 HB2 0.0071 0.0023 -0.0032 398 ALA 27 HB3 0.0049 0.0034 -0.0043 399 ALA 27 C 0.0078 0.0004 -0.0064 400 ALA 27 O 0.0084 -0.0008 -0.0078 401 ALA 28 N 0.0088 0.0004 -0.0049 402 ALA 28 H 0.0082 0.0014 -0.0037 403 ALA 28 CA 0.0105 -0.0008 -0.0049 404 ALA 28 HA 0.0103 -0.0014 -0.0064 405 ALA 28 CB 0.0111 -0.0004 -0.0031 406 ALA 28 HB1 0.0100 0.0005 -0.0030 407 ALA 28 HB2 0.0117 -0.0000 -0.0016 408 ALA 28 HB3 0.0121 -0.0013 -0.0036 409 ALA 28 C 0.0121 -0.0018 -0.0046 410 ALA 28 O 0.0124 -0.0013 -0.0032 411 LYS 29 N 0.0134 -0.0036 -0.0055 412 LYS 29 H 0.0141 -0.0042 -0.0053 413 LYS 29 CA 0.0136 -0.0046 -0.0074 414 LYS 29 HA 0.0125 -0.0041 -0.0080 415 LYS 29 CB 0.0156 -0.0060 -0.0070 416 LYS 29 HB1 0.0160 -0.0056 -0.0055 417 LYS 29 HB2 0.0166 -0.0066 -0.0066 418 LYS 29 CG 0.0159 -0.0070 -0.0087 419 LYS 29 HG1 0.0157 -0.0075 -0.0104 420 LYS 29 HG2 0.0147 -0.0062 -0.0090 421 LYS 29 CD 0.0177 -0.0081 -0.0081 422 LYS 29 HD1 0.0178 -0.0075 -0.0066 423 LYS 29 HD2 0.0188 -0.0086 -0.0074 424 LYS 29 CE 0.0181 -0.0093 -0.0101 425 LYS 29 HE1 0.0179 -0.0097 -0.0115 426 LYS 29 HE2 0.0172 -0.0088 -0.0107 427 LYS 29 NZ 0.0201 -0.0106 -0.0096 428 LYS 29 HZ1 0.0203 -0.0113 -0.0110 429 LYS 29 HZ2 0.0204 -0.0102 -0.0083 430 LYS 29 HZ3 0.0212 -0.0112 -0.0093 431 LYS 29 C 0.0132 -0.0051 -0.0092 432 LYS 29 O 0.0145 -0.0063 -0.0097 433 ARG 30 N 0.0113 -0.0042 -0.0101 434 ARG 30 H 0.0104 -0.0031 -0.0093 435 ARG 30 CA 0.0105 -0.0044 -0.0121 436 ARG 30 HA 0.0091 -0.0036 -0.0127 437 ARG 30 CB 0.0114 -0.0059 -0.0141 438 ARG 30 HB1 0.0129 -0.0068 -0.0135 439 ARG 30 HB2 0.0106 -0.0059 -0.0154 440 ARG 30 CG 0.0113 -0.0062 -0.0148 441 ARG 30 HG1 0.0100 -0.0052 -0.0147 442 ARG 30 HG2 0.0126 -0.0067 -0.0137 443 ARG 30 CD 0.0117 -0.0075 -0.0170 444 ARG 30 HD1 0.0132 -0.0085 -0.0167 445 ARG 30 HD2 0.0108 -0.0073 -0.0183 446 ARG 30 NE 0.0116 -0.0076 -0.0175 447 ARG 30 HE 0.0115 -0.0069 -0.0163 448 ARG 30 CZ 0.0118 -0.0086 -0.0194 449 ARG 30 NH1 0.0127 -0.0098 -0.0207 450 ARG 30 HH11 0.0129 -0.0100 -0.0206 451 ARG 30 HH12 0.0124 -0.0103 -0.0222 452 ARG 30 NH2 0.0113 -0.0084 -0.0198 453 ARG 30 HH21 0.0109 -0.0076 -0.0186 454 ARG 30 HH22 0.0114 -0.0091 -0.0212 455 ARG 30 C 0.0100 -0.0038 -0.0116 456 ARG 30 O 0.0105 -0.0047 -0.0127 457 LEU 31 N 0.0088 -0.0021 -0.0092 458 LEU 31 H 0.0087 -0.0016 -0.0083 459 LEU 31 CA 0.0084 -0.0015 -0.0086 460 LEU 31 HA 0.0090 -0.0022 -0.0092 461 LEU 31 CB 0.0089 -0.0008 -0.0064 462 LEU 31 HB1 0.0086 -0.0002 -0.0059 463 LEU 31 HB2 0.0081 0.0001 -0.0058 464 LEU 31 CG 0.0107 -0.0016 -0.0053 465 LEU 31 HG 0.0115 -0.0026 -0.0060 466 LEU 31 CD1 0.0113 -0.0010 -0.0032 467 LEU 31 HD11 0.0108 -0.0002 -0.0024 468 LEU 31 HD12 0.0127 -0.0018 -0.0027 469 LEU 31 HD13 0.0110 -0.0007 -0.0032 470 LEU 31 CD2 0.0110 -0.0020 -0.0057 471 LEU 31 HD21 0.0108 -0.0026 -0.0071 472 LEU 31 HD22 0.0123 -0.0026 -0.0049 473 LEU 31 HD23 0.0102 -0.0011 -0.0051 474 LEU 31 C 0.0064 -0.0003 -0.0092 475 LEU 31 O 0.0055 0.0006 -0.0089 476 SER 32 N 0.0058 -0.0003 -0.0101 477 SER 32 H 0.0067 -0.0011 -0.0104 478 SER 32 CA 0.0039 0.0008 -0.0107 479 SER 32 HA 0.0031 0.0016 -0.0103 480 SER 32 CB 0.0034 0.0002 -0.0128 481 SER 32 HB1 0.0044 -0.0007 -0.0130 482 SER 32 HB2 0.0022 0.0010 -0.0130 483 SER 32 OG 0.0034 -0.0004 -0.0140 484 SER 32 HG 0.0032 0.0000 -0.0133 485 SER 32 C 0.0039 0.0015 -0.0094 486 SER 32 O 0.0049 0.0008 -0.0094 487 LEU 33 N 0.0031 0.0028 -0.0082 488 LEU 33 H 0.0026 0.0031 -0.0083 489 LEU 33 CA 0.0030 0.0033 -0.0070 490 LEU 33 HA 0.0038 0.0030 -0.0063 491 LEU 33 CB 0.0025 0.0042 -0.0060 492 LEU 33 HB1 0.0016 0.0047 -0.0065 493 LEU 33 HB2 0.0025 0.0046 -0.0052 494 LEU 33 CG 0.0032 0.0039 -0.0054 495 LEU 33 HG 0.0032 0.0036 -0.0062 496 LEU 33 CD1 0.0025 0.0049 -0.0045 497 LEU 33 HD11 0.0016 0.0054 -0.0049 498 LEU 33 HD12 0.0027 0.0051 -0.0035 499 LEU 33 HD13 0.0026 0.0049 -0.0042 500 LEU 33 CD2 0.0045 0.0033 -0.0045 501 LEU 33 HD21 0.0045 0.0036 -0.0035 502 LEU 33 HD22 0.0050 0.0026 -0.0051 503 LEU 33 HD23 0.0049 0.0030 -0.0044 504 LEU 33 C 0.0023 0.0037 -0.0076 505 LEU 33 O 0.0014 0.0041 -0.0083 506 GLU 34 N 0.0029 0.0033 -0.0073 507 GLU 34 H 0.0037 0.0029 -0.0068 508 GLU 34 CA 0.0025 0.0035 -0.0076 509 GLU 34 HA 0.0020 0.0035 -0.0086 510 GLU 34 CB 0.0035 0.0027 -0.0075 511 GLU 34 HB1 0.0041 0.0027 -0.0065 512 GLU 34 HB2 0.0032 0.0029 -0.0077 513 GLU 34 CG 0.0041 0.0017 -0.0085 514 GLU 34 HG1 0.0036 0.0018 -0.0095 515 GLU 34 HG2 0.0041 0.0017 -0.0088 516 GLU 34 CD 0.0054 0.0009 -0.0082 517 GLU 34 OE1 0.0060 0.0009 -0.0070 518 GLU 34 OE2 0.0059 0.0001 -0.0091 519 GLU 34 C 0.0019 0.0045 -0.0065 520 GLU 34 O 0.0020 0.0049 -0.0055 521 SER 35 N 0.0017 0.0051 -0.0070 522 SER 35 H 0.0016 0.0050 -0.0074 523 SER 35 CA 0.0014 0.0055 -0.0066 524 SER 35 HA 0.0018 0.0054 -0.0062 525 SER 35 CB 0.0009 0.0058 -0.0063 526 SER 35 HB1 0.0007 0.0061 -0.0061 527 SER 35 HB2 0.0010 0.0059 -0.0060 528 SER 35 OG 0.0004 0.0059 -0.0068 529 SER 35 HG 0.0006 0.0058 -0.0070 530 SER 35 C 0.0013 0.0054 -0.0070 531 SER 35 O 0.0014 0.0051 -0.0075 532 GLU 36 N 0.0011 0.0056 -0.0066 533 GLU 36 H 0.0011 0.0058 -0.0062 534 GLU 36 CA 0.0010 0.0056 -0.0068 535 GLU 36 HA 0.0013 0.0053 -0.0072 536 GLU 36 CB 0.0012 0.0057 -0.0063 537 GLU 36 HB1 0.0017 0.0055 -0.0061 538 GLU 36 HB2 0.0010 0.0060 -0.0059 539 GLU 36 CG 0.0012 0.0056 -0.0064 540 GLU 36 HG1 0.0008 0.0057 -0.0067 541 GLU 36 HG2 0.0016 0.0053 -0.0066 542 GLU 36 CD 0.0013 0.0059 -0.0058 543 GLU 36 OE1 0.0013 0.0058 -0.0058 544 GLU 36 OE2 0.0013 0.0060 -0.0053 545 GLU 36 C 0.0003 0.0059 -0.0071 546 GLU 36 O -0.0000 0.0062 -0.0067 547 GLY 37 N 0.0002 0.0058 -0.0078 548 GLY 37 H 0.0003 0.0056 -0.0079 549 GLY 37 CA -0.0000 0.0059 -0.0079 550 GLY 37 HA1 -0.0001 0.0061 -0.0079 551 GLY 37 HA2 -0.0001 0.0059 -0.0082 552 GLY 37 C -0.0000 0.0059 -0.0079 553 GLY 37 O 0.0000 0.0061 -0.0077 554 ALA 38 N -0.0000 0.0058 -0.0081 555 ALA 38 H 0.0000 0.0057 -0.0082 556 ALA 38 CA 0.0000 0.0058 -0.0080 557 ALA 38 HA -0.0001 0.0060 -0.0079 558 ALA 38 CB -0.0001 0.0058 -0.0083 559 ALA 38 HB1 -0.0002 0.0058 -0.0085 560 ALA 38 HB2 0.0001 0.0056 -0.0084 561 ALA 38 HB3 -0.0001 0.0058 -0.0083 562 ALA 38 C 0.0002 0.0057 -0.0079 563 ALA 38 O 0.0004 0.0055 -0.0080 564 GLY 39 N 0.0002 0.0057 -0.0079 565 GLY 39 H 0.0002 0.0057 -0.0078 566 GLY 39 CA 0.0001 0.0056 -0.0078 567 GLY 39 HA1 0.0001 0.0056 -0.0078 568 GLY 39 HA2 0.0001 0.0056 -0.0078 569 GLY 39 C 0.0002 0.0056 -0.0077 570 GLY 39 O 0.0002 0.0057 -0.0077 571 GLU 40 N 0.0001 0.0056 -0.0076 572 GLU 40 H 0.0001 0.0055 -0.0077 573 GLU 40 CA 0.0001 0.0056 -0.0075 574 GLU 40 HA 0.0002 0.0056 -0.0075 575 GLU 40 CB 0.0001 0.0055 -0.0075 576 GLU 40 HB1 0.0000 0.0055 -0.0075 577 GLU 40 HB2 0.0001 0.0055 -0.0075 578 GLU 40 CG 0.0001 0.0055 -0.0074 579 GLU 40 HG1 0.0001 0.0055 -0.0074 580 GLU 40 HG2 0.0000 0.0055 -0.0074 581 GLU 40 CD 0.0001 0.0055 -0.0073 582 GLU 40 OE1 0.0002 0.0056 -0.0073 583 GLU 40 OE2 0.0001 0.0055 -0.0073 584 GLU 40 C 0.0002 0.0056 -0.0075 585 GLU 40 O 0.0002 0.0056 -0.0076 586 GLY 41 N 0.0009 0.0057 -0.0081 587 GLY 41 H 0.0008 0.0057 -0.0080 588 GLY 41 CA 0.0010 0.0057 -0.0081 589 GLY 41 HA1 0.0010 0.0057 -0.0082 590 GLY 41 HA2 0.0010 0.0058 -0.0082 591 GLY 41 C 0.0010 0.0057 -0.0081 592 GLY 41 O 0.0010 0.0056 -0.0080 593 ALA 42 N 0.0011 0.0057 -0.0082 594 ALA 42 H 0.0011 0.0057 -0.0082 595 ALA 42 CA 0.0011 0.0056 -0.0081 596 ALA 42 HA 0.0012 0.0056 -0.0081 597 ALA 42 CB 0.0012 0.0057 -0.0082 598 ALA 42 HB1 0.0012 0.0057 -0.0083 599 ALA 42 HB2 0.0012 0.0056 -0.0082 600 ALA 42 HB3 0.0013 0.0056 -0.0082 601 ALA 42 C 0.0011 0.0056 -0.0081 602 ALA 42 O 0.0010 0.0057 -0.0081 603 ALA 43 N 0.0010 0.0057 -0.0085 604 ALA 43 H 0.0009 0.0056 -0.0087 605 ALA 43 CA 0.0010 0.0056 -0.0083 606 ALA 43 HA 0.0010 0.0056 -0.0080 607 ALA 43 CB 0.0011 0.0058 -0.0083 608 ALA 43 HB1 0.0011 0.0058 -0.0086 609 ALA 43 HB2 0.0011 0.0057 -0.0081 610 ALA 43 HB3 0.0013 0.0060 -0.0082 611 ALA 43 C 0.0007 0.0053 -0.0084 612 ALA 43 O 0.0007 0.0052 -0.0086 613 ALA 44 N 0.0006 0.0051 -0.0082 614 ALA 44 H 0.0006 0.0051 -0.0081 615 ALA 44 CA 0.0003 0.0047 -0.0083 616 ALA 44 HA 0.0003 0.0047 -0.0086 617 ALA 44 CB 0.0002 0.0046 -0.0083 618 ALA 44 HB1 0.0002 0.0046 -0.0085 619 ALA 44 HB2 0.0002 0.0046 -0.0080 620 ALA 44 HB3 -0.0000 0.0043 -0.0083 621 ALA 44 C 0.0003 0.0046 -0.0080 622 ALA 44 O 0.0004 0.0047 -0.0077 623 SER 45 N 0.0002 0.0043 -0.0085 624 SER 45 H 0.0004 0.0042 -0.0087 625 SER 45 CA -0.0004 0.0041 -0.0085 626 SER 45 HA -0.0006 0.0044 -0.0081 627 SER 45 CB -0.0002 0.0039 -0.0089 628 SER 45 HB1 -0.0006 0.0038 -0.0089 629 SER 45 HB2 0.0001 0.0042 -0.0086 630 SER 45 OG 0.0001 0.0036 -0.0094 631 SER 45 HG 0.0005 0.0037 -0.0094 632 SER 45 C -0.0009 0.0038 -0.0087 633 SER 45 O -0.0008 0.0036 -0.0090 634 PRO 46 N -0.0016 0.0038 -0.0086 635 PRO 46 CA -0.0021 0.0035 -0.0088 636 PRO 46 HA -0.0021 0.0035 -0.0088 637 PRO 46 CB -0.0027 0.0037 -0.0083 638 PRO 46 HB1 -0.0032 0.0035 -0.0085 639 PRO 46 HB2 -0.0029 0.0039 -0.0081 640 PRO 46 CG -0.0025 0.0039 -0.0081 641 PRO 46 HG1 -0.0025 0.0037 -0.0084 642 PRO 46 HG2 -0.0028 0.0042 -0.0077 643 PRO 46 CD -0.0018 0.0041 -0.0081 644 PRO 46 HD1 -0.0015 0.0042 -0.0082 645 PRO 46 HD2 -0.0017 0.0045 -0.0077 646 PRO 46 C -0.0022 0.0031 -0.0093 647 PRO 46 O -0.0018 0.0030 -0.0096 648 GLU 47 N -0.0034 0.0018 -0.0084 649 GLU 47 H -0.0035 0.0016 -0.0083 650 GLU 47 CA -0.0034 0.0018 -0.0085 651 GLU 47 HA -0.0033 0.0019 -0.0084 652 GLU 47 CB -0.0034 0.0019 -0.0089 653 GLU 47 HB1 -0.0032 0.0021 -0.0090 654 GLU 47 HB2 -0.0035 0.0018 -0.0090 655 GLU 47 CG -0.0033 0.0020 -0.0091 656 GLU 47 HG1 -0.0034 0.0020 -0.0094 657 GLU 47 HG2 -0.0034 0.0019 -0.0090 658 GLU 47 CD -0.0031 0.0023 -0.0091 659 GLU 47 OE1 -0.0030 0.0023 -0.0089 660 GLU 47 OE2 -0.0030 0.0024 -0.0092 661 GLU 47 C -0.0036 0.0015 -0.0084 662 GLU 47 O -0.0038 0.0014 -0.0086 663 LEU 48 N -0.0037 0.0014 -0.0081 664 LEU 48 H -0.0035 0.0015 -0.0080 665 LEU 48 CA -0.0039 0.0012 -0.0080 666 LEU 48 HA -0.0040 0.0010 -0.0082 667 LEU 48 CB -0.0039 0.0011 -0.0079 668 LEU 48 HB1 -0.0038 0.0012 -0.0077 669 LEU 48 HB2 -0.0041 0.0009 -0.0078 670 LEU 48 CG -0.0040 0.0011 -0.0082 671 LEU 48 HG -0.0038 0.0013 -0.0083 672 LEU 48 CD1 -0.0039 0.0011 -0.0081 673 LEU 48 HD11 -0.0041 0.0009 -0.0079 674 LEU 48 HD12 -0.0039 0.0012 -0.0083 675 LEU 48 HD13 -0.0038 0.0012 -0.0079 676 LEU 48 CD2 -0.0042 0.0009 -0.0084 677 LEU 48 HD21 -0.0042 0.0009 -0.0085 678 LEU 48 HD22 -0.0042 0.0009 -0.0086 679 LEU 48 HD23 -0.0043 0.0007 -0.0083 680 LEU 48 C -0.0039 0.0011 -0.0077 681 LEU 48 O -0.0038 0.0012 -0.0078 682 SER 49 N -0.0057 0.0007 -0.0091 683 SER 49 H -0.0059 0.0007 -0.0087 684 SER 49 CA -0.0059 0.0007 -0.0090 685 SER 49 HA -0.0058 0.0008 -0.0095 686 SER 49 CB -0.0068 0.0006 -0.0090 687 SER 49 HB1 -0.0069 0.0006 -0.0084 688 SER 49 HB2 -0.0069 0.0006 -0.0091 689 SER 49 OG -0.0071 0.0006 -0.0095 690 SER 49 HG -0.0070 0.0006 -0.0093 691 SER 49 C -0.0056 0.0007 -0.0084 692 SER 49 O -0.0053 0.0008 -0.0080 693 ALA 50 N -0.0055 0.0007 -0.0083 694 ALA 50 H -0.0058 0.0007 -0.0086 695 ALA 50 CA -0.0051 0.0008 -0.0077 696 ALA 50 HA -0.0046 0.0008 -0.0079 697 ALA 50 CB -0.0054 0.0007 -0.0077 698 ALA 50 HB1 -0.0050 0.0008 -0.0074 699 ALA 50 HB2 -0.0054 0.0008 -0.0082 700 ALA 50 HB3 -0.0059 0.0007 -0.0074 701 ALA 50 C -0.0050 0.0008 -0.0069 702 ALA 50 O -0.0044 0.0008 -0.0067 703 LEU 51 N -0.0058 -0.0006 -0.0065 704 LEU 51 H -0.0063 -0.0010 -0.0068 705 LEU 51 CA -0.0057 -0.0007 -0.0057 706 LEU 51 HA -0.0054 -0.0005 -0.0051 707 LEU 51 CB -0.0065 -0.0013 -0.0055 708 LEU 51 HB1 -0.0069 -0.0015 -0.0062 709 LEU 51 HB2 -0.0066 -0.0013 -0.0052 710 LEU 51 CG -0.0069 -0.0016 -0.0048 711 LEU 51 HG -0.0067 -0.0014 -0.0050 712 LEU 51 CD1 -0.0078 -0.0022 -0.0050 713 LEU 51 HD11 -0.0080 -0.0024 -0.0046 714 LEU 51 HD12 -0.0079 -0.0022 -0.0057 715 LEU 51 HD13 -0.0080 -0.0024 -0.0046 716 LEU 51 CD2 -0.0066 -0.0015 -0.0038 717 LEU 51 HD21 -0.0070 -0.0018 -0.0034 718 LEU 51 HD22 -0.0060 -0.0011 -0.0038 719 LEU 51 HD23 -0.0066 -0.0015 -0.0034 720 LEU 51 C -0.0053 -0.0004 -0.0061 721 LEU 51 O -0.0047 0.0000 -0.0058 722 GLU 52 N -0.0056 -0.0005 -0.0070 723 GLU 52 H -0.0061 -0.0009 -0.0072 724 GLU 52 CA -0.0053 -0.0003 -0.0074 725 GLU 52 HA -0.0052 -0.0003 -0.0068 726 GLU 52 CB -0.0059 -0.0006 -0.0081 727 GLU 52 HB1 -0.0057 -0.0004 -0.0084 728 GLU 52 HB2 -0.0064 -0.0010 -0.0077 729 GLU 52 CG -0.0062 -0.0008 -0.0089 730 GLU 52 HG1 -0.0058 -0.0004 -0.0091 731 GLU 52 HG2 -0.0064 -0.0008 -0.0096 732 GLU 52 CD -0.0069 -0.0013 -0.0088 733 GLU 52 OE1 -0.0074 -0.0015 -0.0094 734 GLU 52 OE2 -0.0069 -0.0013 -0.0081 735 GLU 52 C -0.0045 0.0003 -0.0078 736 GLU 52 O -0.0042 0.0006 -0.0079 737 GLU 53 N -0.0039 0.0015 -0.0075 738 GLU 53 H -0.0041 0.0013 -0.0073 739 GLU 53 CA -0.0034 0.0021 -0.0077 740 GLU 53 HA -0.0033 0.0023 -0.0081 741 GLU 53 CB -0.0033 0.0022 -0.0079 742 GLU 53 HB1 -0.0035 0.0019 -0.0076 743 GLU 53 HB2 -0.0029 0.0026 -0.0078 744 GLU 53 CG -0.0036 0.0022 -0.0087 745 GLU 53 HG1 -0.0040 0.0020 -0.0089 746 GLU 53 HG2 -0.0038 0.0021 -0.0087 747 GLU 53 CD -0.0033 0.0028 -0.0093 748 GLU 53 OE1 -0.0035 0.0028 -0.0099 749 GLU 53 OE2 -0.0027 0.0032 -0.0090 750 GLU 53 C -0.0029 0.0023 -0.0070 751 GLU 53 O -0.0025 0.0027 -0.0071 752 ALA 54 N -0.0030 0.0020 -0.0064 753 ALA 54 H -0.0033 0.0017 -0.0063 754 ALA 54 CA -0.0026 0.0021 -0.0057 755 ALA 54 HA -0.0022 0.0025 -0.0057 756 ALA 54 CB -0.0027 0.0018 -0.0051 757 ALA 54 HB1 -0.0031 0.0013 -0.0050 758 ALA 54 HB2 -0.0024 0.0018 -0.0045 759 ALA 54 HB3 -0.0026 0.0018 -0.0051 760 ALA 54 C -0.0027 0.0019 -0.0054 761 ALA 54 O -0.0023 0.0021 -0.0051 762 PHE 55 N -0.0036 0.0006 -0.0053 763 PHE 55 H -0.0040 0.0003 -0.0055 764 PHE 55 CA -0.0037 0.0004 -0.0051 765 PHE 55 HA -0.0035 0.0005 -0.0044 766 PHE 55 CB -0.0044 -0.0004 -0.0051 767 PHE 55 HB1 -0.0045 -0.0007 -0.0046 768 PHE 55 HB2 -0.0047 -0.0005 -0.0058 769 PHE 55 CG -0.0046 -0.0007 -0.0050 770 PHE 55 CD1 -0.0045 -0.0008 -0.0041 771 PHE 55 HD1 -0.0042 -0.0007 -0.0036 772 PHE 55 CD2 -0.0050 -0.0009 -0.0058 773 PHE 55 HD2 -0.0051 -0.0009 -0.0065 774 PHE 55 CE1 -0.0047 -0.0011 -0.0041 775 PHE 55 HE1 -0.0047 -0.0013 -0.0034 776 PHE 55 CE2 -0.0052 -0.0012 -0.0057 777 PHE 55 HE2 -0.0055 -0.0014 -0.0063 778 PHE 55 CZ -0.0051 -0.0013 -0.0048 779 PHE 55 HZ -0.0052 -0.0015 -0.0047 780 PHE 55 C -0.0036 0.0009 -0.0057 781 PHE 55 O -0.0031 0.0013 -0.0054 782 ARG 56 N -0.0038 0.0008 -0.0066 783 ARG 56 H -0.0041 0.0005 -0.0068 784 ARG 56 CA -0.0037 0.0012 -0.0074 785 ARG 56 HA -0.0038 0.0010 -0.0072 786 ARG 56 CB -0.0041 0.0009 -0.0084 787 ARG 56 HB1 -0.0040 0.0012 -0.0086 788 ARG 56 HB2 -0.0040 0.0013 -0.0089 789 ARG 56 CG -0.0048 0.0001 -0.0085 790 ARG 56 HG1 -0.0050 -0.0002 -0.0083 791 ARG 56 HG2 -0.0049 -0.0002 -0.0079 792 ARG 56 CD -0.0052 -0.0001 -0.0094 793 ARG 56 HD1 -0.0050 0.0003 -0.0096 794 ARG 56 HD2 -0.0052 0.0001 -0.0099 795 ARG 56 NE -0.0058 -0.0009 -0.0094 796 ARG 56 HE -0.0059 -0.0012 -0.0088 797 ARG 56 CZ -0.0063 -0.0012 -0.0101 798 ARG 56 NH1 -0.0062 -0.0009 -0.0109 799 ARG 56 HH11 -0.0058 -0.0003 -0.0110 800 ARG 56 HH12 -0.0065 -0.0011 -0.0115 801 ARG 56 NH2 -0.0068 -0.0020 -0.0100 802 ARG 56 HH21 -0.0069 -0.0022 -0.0093 803 ARG 56 HH22 -0.0072 -0.0022 -0.0105 804 ARG 56 C -0.0031 0.0020 -0.0075 805 ARG 56 O -0.0029 0.0024 -0.0078 806 ARG 57 N -0.0017 0.0032 -0.0071 807 ARG 57 H -0.0018 0.0030 -0.0070 808 ARG 57 CA -0.0012 0.0038 -0.0070 809 ARG 57 HA -0.0013 0.0040 -0.0075 810 ARG 57 CB -0.0009 0.0041 -0.0069 811 ARG 57 HB1 -0.0010 0.0038 -0.0065 812 ARG 57 HB2 -0.0005 0.0044 -0.0066 813 ARG 57 CG -0.0010 0.0044 -0.0075 814 ARG 57 HG1 -0.0010 0.0047 -0.0079 815 ARG 57 HG2 -0.0014 0.0040 -0.0077 816 ARG 57 CD -0.0007 0.0048 -0.0074 817 ARG 57 HD1 -0.0007 0.0045 -0.0071 818 ARG 57 HD2 -0.0003 0.0052 -0.0073 819 ARG 57 NE -0.0008 0.0050 -0.0080 820 ARG 57 HE -0.0008 0.0053 -0.0084 821 ARG 57 CZ -0.0010 0.0049 -0.0083 822 ARG 57 NH1 -0.0012 0.0044 -0.0079 823 ARG 57 HH11 -0.0012 0.0041 -0.0075 824 ARG 57 HH12 -0.0014 0.0043 -0.0080 825 ARG 57 NH2 -0.0011 0.0052 -0.0088 826 ARG 57 HH21 -0.0009 0.0056 -0.0091 827 ARG 57 HH22 -0.0014 0.0050 -0.0092 828 ARG 57 C -0.0009 0.0038 -0.0065 829 ARG 57 O -0.0006 0.0043 -0.0065 830 PHE 58 N -0.0010 0.0033 -0.0060 831 PHE 58 H -0.0014 0.0029 -0.0061 832 PHE 58 CA -0.0008 0.0033 -0.0055 833 PHE 58 HA -0.0005 0.0037 -0.0056 834 PHE 58 CB -0.0005 0.0032 -0.0049 835 PHE 58 HB1 -0.0008 0.0029 -0.0048 836 PHE 58 HB2 -0.0005 0.0030 -0.0044 837 PHE 58 CG -0.0001 0.0038 -0.0048 838 PHE 58 CD1 0.0003 0.0041 -0.0045 839 PHE 58 HD1 0.0004 0.0040 -0.0042 840 PHE 58 CD2 -0.0001 0.0040 -0.0051 841 PHE 58 HD2 -0.0004 0.0037 -0.0054 842 PHE 58 CE1 0.0008 0.0047 -0.0044 843 PHE 58 HE1 0.0011 0.0049 -0.0041 844 PHE 58 CE2 0.0003 0.0045 -0.0049 845 PHE 58 HE2 0.0003 0.0046 -0.0052 846 PHE 58 CZ 0.0008 0.0048 -0.0046 847 PHE 58 HZ 0.0011 0.0052 -0.0045 848 PHE 58 C -0.0011 0.0028 -0.0053 849 PHE 58 O -0.0009 0.0028 -0.0050 850 ALA 59 N -0.0025 0.0018 -0.0053 851 ALA 59 H -0.0028 0.0016 -0.0058 852 ALA 59 CA -0.0029 0.0013 -0.0051 853 ALA 59 HA -0.0029 0.0011 -0.0043 854 ALA 59 CB -0.0037 0.0006 -0.0054 855 ALA 59 HB1 -0.0037 0.0008 -0.0062 856 ALA 59 HB2 -0.0041 0.0002 -0.0055 857 ALA 59 HB3 -0.0039 0.0003 -0.0051 858 ALA 59 C -0.0027 0.0016 -0.0056 859 ALA 59 O -0.0028 0.0015 -0.0052 860 VAL 60 N -0.0026 0.0020 -0.0065 861 VAL 60 H -0.0026 0.0021 -0.0068 862 VAL 60 CA -0.0026 0.0022 -0.0072 863 VAL 60 HA -0.0028 0.0019 -0.0069 864 VAL 60 CB -0.0030 0.0021 -0.0082 865 VAL 60 HB -0.0028 0.0023 -0.0084 866 VAL 60 CG1 -0.0030 0.0023 -0.0091 867 VAL 60 HG11 -0.0025 0.0029 -0.0093 868 VAL 60 HG12 -0.0030 0.0023 -0.0089 869 VAL 60 HG13 -0.0034 0.0021 -0.0097 870 VAL 60 CG2 -0.0038 0.0013 -0.0082 871 VAL 60 HG21 -0.0041 0.0012 -0.0089 872 VAL 60 HG22 -0.0041 0.0009 -0.0079 873 VAL 60 HG23 -0.0038 0.0011 -0.0076 874 VAL 60 C -0.0018 0.0031 -0.0073 875 VAL 60 O -0.0017 0.0034 -0.0079 876 HIS 61 N -0.0010 0.0041 -0.0067 877 HIS 61 H -0.0011 0.0038 -0.0063 878 HIS 61 CA -0.0006 0.0046 -0.0067 879 HIS 61 HA -0.0005 0.0047 -0.0069 880 HIS 61 CB -0.0005 0.0049 -0.0071 881 HIS 61 HB1 -0.0005 0.0048 -0.0069 882 HIS 61 HB2 -0.0002 0.0053 -0.0072 883 HIS 61 CG -0.0007 0.0048 -0.0078 884 HIS 61 ND1 -0.0007 0.0051 -0.0083 885 HIS 61 CD2 -0.0011 0.0045 -0.0080 886 HIS 61 HD2 -0.0012 0.0042 -0.0078 887 HIS 61 CE1 -0.0009 0.0049 -0.0088 888 HIS 61 HE1 -0.0009 0.0050 -0.0093 889 HIS 61 NE2 -0.0012 0.0045 -0.0086 890 HIS 61 HE2 -0.0014 0.0043 -0.0089 891 HIS 61 C -0.0003 0.0047 -0.0061 892 HIS 61 O -0.0004 0.0045 -0.0057 893 GLY 62 N 0.0000 0.0051 -0.0059 894 GLY 62 H 0.0000 0.0052 -0.0061 895 GLY 62 CA 0.0003 0.0052 -0.0052 896 GLY 62 HA1 0.0006 0.0055 -0.0052 897 GLY 62 HA2 0.0002 0.0049 -0.0049 898 GLY 62 C 0.0004 0.0052 -0.0050 899 GLY 62 O 0.0004 0.0053 -0.0053 900 ASP 63 N 0.0006 0.0047 -0.0032 901 ASP 63 H 0.0006 0.0045 -0.0029 902 ASP 63 CA 0.0008 0.0046 -0.0027 903 ASP 63 HA 0.0012 0.0051 -0.0028 904 ASP 63 CB 0.0009 0.0044 -0.0018 905 ASP 63 HB1 0.0006 0.0040 -0.0016 906 ASP 63 HB2 0.0010 0.0043 -0.0013 907 ASP 63 CG 0.0016 0.0051 -0.0015 908 ASP 63 OD1 0.0020 0.0054 -0.0010 909 ASP 63 OD2 0.0016 0.0052 -0.0017 910 ASP 63 C 0.0002 0.0040 -0.0028 911 ASP 63 O 0.0003 0.0040 -0.0025 912 ALA 64 N -0.0004 0.0035 -0.0031 913 ALA 64 H -0.0004 0.0035 -0.0032 914 ALA 64 CA -0.0010 0.0029 -0.0034 915 ALA 64 HA -0.0009 0.0030 -0.0036 916 ALA 64 CB -0.0012 0.0023 -0.0025 917 ALA 64 HB1 -0.0011 0.0023 -0.0022 918 ALA 64 HB2 -0.0017 0.0018 -0.0027 919 ALA 64 HB3 -0.0009 0.0024 -0.0021 920 ALA 64 C -0.0014 0.0027 -0.0041 921 ALA 64 O -0.0013 0.0029 -0.0043 922 ARG 65 N -0.0018 0.0023 -0.0044 923 ARG 65 H -0.0018 0.0022 -0.0042 924 ARG 65 CA -0.0023 0.0020 -0.0054 925 ARG 65 HA -0.0023 0.0020 -0.0054 926 ARG 65 CB -0.0020 0.0026 -0.0063 927 ARG 65 HB1 -0.0021 0.0025 -0.0066 928 ARG 65 HB2 -0.0023 0.0024 -0.0070 929 ARG 65 CG -0.0012 0.0035 -0.0062 930 ARG 65 HG1 -0.0010 0.0036 -0.0061 931 ARG 65 HG2 -0.0009 0.0036 -0.0056 932 ARG 65 CD -0.0009 0.0040 -0.0073 933 ARG 65 HD1 -0.0004 0.0046 -0.0071 934 ARG 65 HD2 -0.0011 0.0039 -0.0075 935 ARG 65 NE -0.0011 0.0041 -0.0081 936 ARG 65 HE -0.0014 0.0037 -0.0080 937 ARG 65 CZ -0.0009 0.0046 -0.0090 938 ARG 65 NH1 -0.0005 0.0051 -0.0093 939 ARG 65 HH11 -0.0003 0.0051 -0.0088 940 ARG 65 HH12 -0.0003 0.0055 -0.0100 941 ARG 65 NH2 -0.0011 0.0045 -0.0097 942 ARG 65 HH21 -0.0014 0.0042 -0.0095 943 ARG 65 HH22 -0.0009 0.0049 -0.0103 944 ARG 65 C -0.0030 0.0012 -0.0054 945 ARG 65 O -0.0031 0.0010 -0.0052 946 ALA 66 N -0.0036 0.0006 -0.0056 947 ALA 66 H -0.0035 0.0008 -0.0058 948 ALA 66 CA -0.0043 -0.0002 -0.0056 949 ALA 66 HA -0.0044 -0.0005 -0.0048 950 ALA 66 CB -0.0047 -0.0006 -0.0060 951 ALA 66 HB1 -0.0048 -0.0004 -0.0068 952 ALA 66 HB2 -0.0052 -0.0012 -0.0057 953 ALA 66 HB3 -0.0044 -0.0003 -0.0056 954 ALA 66 C -0.0046 -0.0003 -0.0063 955 ALA 66 O -0.0045 0.0000 -0.0073 956 THR 67 N -0.0059 -0.0016 -0.0061 957 THR 67 H -0.0058 -0.0020 -0.0051 958 THR 67 CA -0.0067 -0.0021 -0.0070 959 THR 67 HA -0.0064 -0.0015 -0.0077 960 THR 67 CB -0.0068 -0.0027 -0.0061 961 THR 67 HB -0.0074 -0.0030 -0.0067 962 THR 67 OG1 -0.0071 -0.0036 -0.0049 963 THR 67 HG1 -0.0066 -0.0033 -0.0044 964 THR 67 CG2 -0.0059 -0.0019 -0.0057 965 THR 67 HG21 -0.0057 -0.0012 -0.0066 966 THR 67 HG22 -0.0053 -0.0016 -0.0049 967 THR 67 HG23 -0.0061 -0.0022 -0.0055 968 THR 67 C -0.0077 -0.0030 -0.0075 969 THR 67 O -0.0082 -0.0029 -0.0087 970 GLY 68 N -0.0079 -0.0036 -0.0068 971 GLY 68 H -0.0074 -0.0035 -0.0059 972 GLY 68 CA -0.0089 -0.0044 -0.0072 973 GLY 68 HA1 -0.0094 -0.0044 -0.0083 974 GLY 68 HA2 -0.0094 -0.0052 -0.0067 975 GLY 68 C -0.0086 -0.0042 -0.0070 976 GLY 68 O -0.0083 -0.0035 -0.0079 977 ARG 69 N -0.0090 -0.0048 -0.0059 978 ARG 69 H -0.0089 -0.0051 -0.0052 979 ARG 69 CA -0.0089 -0.0048 -0.0056 980 ARG 69 HA -0.0090 -0.0044 -0.0065 981 ARG 69 CB -0.0100 -0.0061 -0.0054 982 ARG 69 HB1 -0.0105 -0.0063 -0.0060 983 ARG 69 HB2 -0.0099 -0.0065 -0.0044 984 ARG 69 CG -0.0104 -0.0063 -0.0057 985 ARG 69 HG1 -0.0098 -0.0060 -0.0051 986 ARG 69 HG2 -0.0105 -0.0059 -0.0068 987 ARG 69 CD -0.0114 -0.0075 -0.0054 988 ARG 69 HD1 -0.0121 -0.0079 -0.0062 989 ARG 69 HD2 -0.0115 -0.0080 -0.0045 990 ARG 69 NE -0.0117 -0.0078 -0.0056 991 ARG 69 HE -0.0117 -0.0082 -0.0048 992 ARG 69 CZ -0.0120 -0.0075 -0.0067 993 ARG 69 NH1 -0.0122 -0.0072 -0.0079 994 ARG 69 HH11 -0.0121 -0.0070 -0.0081 995 ARG 69 HH12 -0.0127 -0.0073 -0.0087 996 ARG 69 NH2 -0.0120 -0.0076 -0.0067 997 ARG 69 HH21 -0.0121 -0.0080 -0.0059 998 ARG 69 HH22 -0.0121 -0.0073 -0.0076 999 ARG 69 C -0.0080 -0.0045 -0.0044 1000 ARG 69 O -0.0079 -0.0046 -0.0040 1001 GLU 70 N -0.0073 -0.0040 -0.0038 1002 GLU 70 H -0.0074 -0.0040 -0.0041 1003 GLU 70 CA -0.0065 -0.0037 -0.0026 1004 GLU 70 HA -0.0067 -0.0043 -0.0020 1005 GLU 70 CB -0.0062 -0.0038 -0.0019 1006 GLU 70 HB1 -0.0057 -0.0037 -0.0009 1007 GLU 70 HB2 -0.0069 -0.0046 -0.0016 1008 GLU 70 CG -0.0058 -0.0030 -0.0025 1009 GLU 70 HG1 -0.0052 -0.0022 -0.0030 1010 GLU 70 HG2 -0.0053 -0.0030 -0.0016 1011 GLU 70 CD -0.0065 -0.0032 -0.0036 1012 GLU 70 OE1 -0.0062 -0.0029 -0.0036 1013 GLU 70 OE2 -0.0073 -0.0037 -0.0044 1014 GLU 70 C -0.0055 -0.0026 -0.0028 1015 GLU 70 O -0.0054 -0.0019 -0.0039 1016 MET 71 N -0.0050 -0.0023 -0.0023 1017 MET 71 H -0.0051 -0.0029 -0.0015 1018 MET 71 CA -0.0040 -0.0013 -0.0020 1019 MET 71 HA -0.0038 -0.0008 -0.0026 1020 MET 71 CB -0.0038 -0.0011 -0.0021 1021 MET 71 HB1 -0.0040 -0.0008 -0.0031 1022 MET 71 HB2 -0.0042 -0.0017 -0.0018 1023 MET 71 CG -0.0028 -0.0003 -0.0014 1024 MET 71 HG1 -0.0026 -0.0007 -0.0005 1025 MET 71 HG2 -0.0023 0.0004 -0.0017 1026 MET 71 SD -0.0026 -0.0001 -0.0014 1027 MET 71 CE -0.0026 0.0007 -0.0029 1028 MET 71 HE1 -0.0031 0.0004 -0.0035 1029 MET 71 HE2 -0.0025 0.0010 -0.0033 1030 MET 71 HE3 -0.0020 0.0013 -0.0029 1031 MET 71 C -0.0035 -0.0015 -0.0008 1032 MET 71 O -0.0039 -0.0023 0.0000 1033 HIS 72 N -0.0028 -0.0008 -0.0006 1034 HIS 72 H -0.0025 -0.0001 -0.0013 1035 HIS 72 CA -0.0022 -0.0008 0.0006 1036 HIS 72 HA -0.0026 -0.0015 0.0012 1037 HIS 72 CB -0.0019 -0.0003 0.0005 1038 HIS 72 HB1 -0.0015 0.0004 -0.0001 1039 HIS 72 HB2 -0.0014 -0.0003 0.0013 1040 HIS 72 CG -0.0026 -0.0009 0.0001 1041 HIS 72 ND1 -0.0028 -0.0016 0.0009 1042 HIS 72 CD2 -0.0032 -0.0010 -0.0010 1043 HIS 72 HD2 -0.0033 -0.0006 -0.0020 1044 HIS 72 CE1 -0.0034 -0.0020 0.0003 1045 HIS 72 HE1 -0.0037 -0.0025 0.0007 1046 HIS 72 NE2 -0.0037 -0.0016 -0.0009 1047 HIS 72 HE2 -0.0041 -0.0018 -0.0015 1048 HIS 72 C -0.0015 -0.0004 0.0013 1049 HIS 72 O -0.0010 0.0004 0.0007 1050 GLY 73 N -0.0015 -0.0010 0.0023 1051 GLY 73 H -0.0018 -0.0016 0.0026 1052 GLY 73 CA -0.0008 -0.0006 0.0033 1053 GLY 73 HA1 -0.0010 -0.0009 0.0033 1054 GLY 73 HA2 -0.0007 -0.0010 0.0041 1055 GLY 73 C 0.0001 0.0005 0.0030 1056 GLY 73 O 0.0004 0.0009 0.0031 1057 LYS 74 N 0.0004 0.0011 0.0026 1058 LYS 74 H 0.0000 0.0006 0.0028 1059 LYS 74 CA 0.0011 0.0022 0.0023 1060 LYS 74 HA 0.0017 0.0025 0.0031 1061 LYS 74 CB 0.0012 0.0023 0.0023 1062 LYS 74 HB1 0.0018 0.0031 0.0022 1063 LYS 74 HB2 0.0013 0.0019 0.0032 1064 LYS 74 CG 0.0005 0.0019 0.0014 1065 LYS 74 HG1 -0.0001 0.0011 0.0014 1066 LYS 74 HG2 0.0005 0.0023 0.0005 1067 LYS 74 CD 0.0005 0.0020 0.0014 1068 LYS 74 HD1 0.0001 0.0019 0.0005 1069 LYS 74 HD2 0.0012 0.0027 0.0016 1070 LYS 74 CE 0.0002 0.0011 0.0023 1071 LYS 74 HE1 0.0007 0.0013 0.0032 1072 LYS 74 HE2 -0.0003 0.0003 0.0025 1073 LYS 74 NZ 0.0000 0.0010 0.0021 1074 LYS 74 HZ1 0.0004 0.0016 0.0018 1075 LYS 74 HZ2 -0.0001 0.0005 0.0028 1076 LYS 74 HZ3 -0.0005 0.0007 0.0013 1077 LYS 74 C 0.0011 0.0028 0.0012 1078 LYS 74 O 0.0018 0.0037 0.0009 1079 ASN 75 N 0.0005 0.0023 0.0002 1080 ASN 75 H -0.0001 0.0016 0.0005 1081 ASN 75 CA 0.0004 0.0028 -0.0009 1082 ASN 75 HA 0.0010 0.0037 -0.0012 1083 ASN 75 CB -0.0004 0.0025 -0.0021 1084 ASN 75 HB1 -0.0011 0.0017 -0.0020 1085 ASN 75 HB2 -0.0004 0.0030 -0.0029 1086 ASN 75 CG -0.0005 0.0026 -0.0025 1087 ASN 75 OD1 -0.0006 0.0022 -0.0018 1088 ASN 75 ND2 -0.0007 0.0031 -0.0037 1089 ASN 75 HD21 -0.0007 0.0034 -0.0043 1090 ASN 75 HD22 -0.0010 0.0029 -0.0040 1091 ASN 75 C 0.0002 0.0024 -0.0006 1092 ASN 75 O 0.0005 0.0030 -0.0012 1093 TRP 76 N -0.0002 0.0015 0.0002 1094 TRP 76 H -0.0004 0.0011 0.0007 1095 TRP 76 CA -0.0002 0.0013 0.0007 1096 TRP 76 HA -0.0006 0.0013 -0.0001 1097 TRP 76 CB -0.0009 0.0001 0.0015 1098 TRP 76 HB1 -0.0016 -0.0004 0.0009 1099 TRP 76 HB2 -0.0006 0.0000 0.0022 1100 TRP 76 CG -0.0008 -0.0002 0.0023 1101 TRP 76 CD1 -0.0002 -0.0002 0.0035 1102 TRP 76 HD1 0.0002 -0.0000 0.0041 1103 TRP 76 CD2 -0.0012 -0.0005 0.0020 1104 TRP 76 NE1 -0.0003 -0.0005 0.0040 1105 TRP 76 HE1 0.0000 -0.0007 0.0049 1106 TRP 76 CE2 -0.0009 -0.0007 0.0031 1107 TRP 76 CE3 -0.0017 -0.0005 0.0008 1108 TRP 76 HE3 -0.0019 -0.0003 0.0000 1109 TRP 76 CZ2 -0.0011 -0.0009 0.0029 1110 TRP 76 HZ2 -0.0009 -0.0011 0.0037 1111 TRP 76 CZ3 -0.0020 -0.0007 0.0006 1112 TRP 76 HZ3 -0.0023 -0.0005 -0.0003 1113 TRP 76 CH2 -0.0016 -0.0008 0.0017 1114 TRP 76 HH2 -0.0018 -0.0009 0.0016 1115 TRP 76 C 0.0007 0.0020 0.0014 1116 TRP 76 O 0.0010 0.0024 0.0012 1117 SER 77 N 0.0014 0.0016 0.0013 1118 SER 77 H 0.0011 0.0011 0.0014 1119 SER 77 CA 0.0022 0.0024 0.0019 1120 SER 77 HA 0.0024 0.0020 0.0027 1121 SER 77 CB 0.0024 0.0024 0.0021 1122 SER 77 HB1 0.0021 0.0017 0.0025 1123 SER 77 HB2 0.0020 0.0025 0.0014 1124 SER 77 OG 0.0031 0.0031 0.0027 1125 SER 77 HG 0.0032 0.0034 0.0026 1126 SER 77 C 0.0025 0.0034 0.0014 1127 SER 77 O 0.0031 0.0038 0.0019 1128 LYS 78 N 0.0022 0.0039 0.0004 1129 LYS 78 H 0.0017 0.0035 -0.0000 1130 LYS 78 CA 0.0025 0.0049 -0.0001 1131 LYS 78 HA 0.0031 0.0053 0.0005 1132 LYS 78 CB 0.0024 0.0054 -0.0008 1133 LYS 78 HB1 0.0018 0.0050 -0.0014 1134 LYS 78 HB2 0.0027 0.0062 -0.0011 1135 LYS 78 CG 0.0028 0.0055 -0.0002 1136 LYS 78 HG1 0.0034 0.0059 0.0004 1137 LYS 78 HG2 0.0026 0.0047 0.0003 1138 LYS 78 CD 0.0028 0.0060 -0.0007 1139 LYS 78 HD1 0.0022 0.0056 -0.0013 1140 LYS 78 HD2 0.0030 0.0068 -0.0012 1141 LYS 78 CE 0.0031 0.0059 -0.0001 1142 LYS 78 HE1 0.0037 0.0063 0.0005 1143 LYS 78 HE2 0.0029 0.0051 0.0003 1144 LYS 78 NZ 0.0029 0.0062 -0.0007 1145 LYS 78 HZ1 0.0032 0.0070 -0.0011 1146 LYS 78 HZ2 0.0032 0.0062 -0.0002 1147 LYS 78 HZ3 0.0024 0.0059 -0.0013 1148 LYS 78 C 0.0021 0.0049 -0.0007 1149 LYS 78 O 0.0024 0.0057 -0.0011 1150 LEU 79 N 0.0019 0.0041 -0.0010 1151 LEU 79 H 0.0016 0.0035 -0.0004 1152 LEU 79 CA 0.0014 0.0039 -0.0017 1153 LEU 79 HA 0.0015 0.0045 -0.0025 1154 LEU 79 CB 0.0003 0.0030 -0.0019 1155 LEU 79 HB1 0.0000 0.0031 -0.0026 1156 LEU 79 HB2 0.0001 0.0024 -0.0011 1157 LEU 79 CG -0.0003 0.0026 -0.0024 1158 LEU 79 HG -0.0001 0.0025 -0.0017 1159 LEU 79 CD1 -0.0002 0.0033 -0.0036 1160 LEU 79 HD11 0.0004 0.0039 -0.0035 1161 LEU 79 HD12 -0.0004 0.0035 -0.0042 1162 LEU 79 HD13 -0.0009 0.0028 -0.0039 1163 LEU 79 CD2 -0.0014 0.0017 -0.0026 1164 LEU 79 HD21 -0.0019 0.0013 -0.0027 1165 LEU 79 HD22 -0.0016 0.0018 -0.0033 1166 LEU 79 HD23 -0.0015 0.0013 -0.0019 1167 LEU 79 C 0.0017 0.0038 -0.0008 1168 LEU 79 O 0.0019 0.0042 -0.0012 1169 CYS 80 N 0.0018 0.0033 0.0003 1170 CYS 80 H 0.0016 0.0030 0.0005 1171 CYS 80 CA 0.0018 0.0029 0.0011 1172 CYS 80 HA 0.0014 0.0029 0.0005 1173 CYS 80 CB 0.0013 0.0020 0.0020 1174 CYS 80 HB1 0.0013 0.0017 0.0026 1175 CYS 80 HB2 0.0005 0.0015 0.0015 1176 CYS 80 SG 0.0018 0.0020 0.0030 1177 CYS 80 HG 0.0014 0.0020 0.0022 1178 CYS 80 C 0.0028 0.0036 0.0017 1179 CYS 80 O 0.0029 0.0037 0.0018 1180 LYS 81 N 0.0030 0.0042 0.0015 1181 LYS 81 H 0.0029 0.0041 0.0016 1182 LYS 81 CA 0.0043 0.0049 0.0022 1183 LYS 81 HA 0.0041 0.0046 0.0029 1184 LYS 81 CB 0.0051 0.0051 0.0033 1185 LYS 81 HB1 0.0053 0.0054 0.0027 1186 LYS 81 HB2 0.0061 0.0056 0.0037 1187 LYS 81 CG 0.0045 0.0043 0.0047 1188 LYS 81 HG1 0.0043 0.0039 0.0054 1189 LYS 81 HG2 0.0035 0.0037 0.0042 1190 LYS 81 CD 0.0053 0.0044 0.0058 1191 LYS 81 HD1 0.0056 0.0048 0.0051 1192 LYS 81 HD2 0.0062 0.0049 0.0064 1193 LYS 81 CE 0.0045 0.0036 0.0070 1194 LYS 81 HE1 0.0041 0.0031 0.0076 1195 LYS 81 HE2 0.0038 0.0033 0.0062 1196 LYS 81 NZ 0.0054 0.0038 0.0081 1197 LYS 81 HZ1 0.0060 0.0044 0.0077 1198 LYS 81 HZ2 0.0058 0.0038 0.0088 1199 LYS 81 HZ3 0.0048 0.0032 0.0086 1200 LYS 81 C 0.0051 0.0058 0.0010 1201 LYS 81 O 0.0063 0.0065 0.0014 1202 ASP 82 N 0.0044 0.0057 -0.0003 1203 ASP 82 H 0.0034 0.0051 -0.0005 1204 ASP 82 CA 0.0049 0.0065 -0.0015 1205 ASP 82 HA 0.0056 0.0068 -0.0010 1206 ASP 82 CB 0.0058 0.0073 -0.0024 1207 ASP 82 HB1 0.0066 0.0076 -0.0016 1208 ASP 82 HB2 0.0051 0.0071 -0.0030 1209 ASP 82 CG 0.0065 0.0081 -0.0035 1210 ASP 82 OD1 0.0074 0.0086 -0.0031 1211 ASP 82 OD2 0.0061 0.0083 -0.0049 1212 ASP 82 C 0.0037 0.0059 -0.0024 1213 ASP 82 O 0.0036 0.0063 -0.0038 1214 CYS 83 N 0.0046 0.0046 -0.0008 1215 CYS 83 H 0.0048 0.0043 0.0003 1216 CYS 83 CA 0.0035 0.0045 -0.0016 1217 CYS 83 HA 0.0035 0.0048 -0.0027 1218 CYS 83 CB 0.0020 0.0038 -0.0009 1219 CYS 83 HB1 0.0018 0.0037 -0.0007 1220 CYS 83 HB2 0.0020 0.0034 0.0002 1221 CYS 83 SG 0.0005 0.0036 -0.0021 1222 CYS 83 HG 0.0006 0.0039 -0.0028 1223 CYS 83 C 0.0040 0.0046 -0.0013 1224 CYS 83 O 0.0047 0.0044 -0.0001 1225 GLN 84 N 0.0037 0.0048 -0.0023 1226 GLN 84 H 0.0030 0.0048 -0.0032 1227 GLN 84 CA 0.0043 0.0050 -0.0024 1228 GLN 84 HA 0.0054 0.0052 -0.0018 1229 GLN 84 CB 0.0041 0.0055 -0.0040 1230 GLN 84 HB1 0.0030 0.0052 -0.0045 1231 GLN 84 HB2 0.0045 0.0056 -0.0042 1232 GLN 84 CG 0.0050 0.0060 -0.0050 1233 GLN 84 HG1 0.0048 0.0059 -0.0048 1234 GLN 84 HG2 0.0048 0.0063 -0.0061 1235 GLN 84 CD 0.0066 0.0065 -0.0048 1236 GLN 84 OE1 0.0073 0.0069 -0.0054 1237 GLN 84 NE2 0.0072 0.0065 -0.0040 1238 GLN 84 HE21 0.0065 0.0061 -0.0035 1239 GLN 84 HE22 0.0083 0.0068 -0.0038 1240 GLN 84 C 0.0035 0.0044 -0.0014 1241 GLN 84 O 0.0032 0.0045 -0.0018 1242 VAL 85 N 0.0037 0.0044 0.0026 1243 VAL 85 H 0.0036 0.0045 0.0023 1244 VAL 85 CA 0.0032 0.0032 0.0038 1245 VAL 85 HA 0.0029 0.0029 0.0038 1246 VAL 85 CB 0.0020 0.0021 0.0036 1247 VAL 85 HB 0.0017 0.0012 0.0046 1248 VAL 85 CG1 0.0008 0.0017 0.0022 1249 VAL 85 HG11 0.0010 0.0025 0.0011 1250 VAL 85 HG12 0.0001 0.0011 0.0021 1251 VAL 85 HG13 0.0002 0.0011 0.0023 1252 VAL 85 CG2 0.0023 0.0024 0.0035 1253 VAL 85 HG21 0.0014 0.0016 0.0035 1254 VAL 85 HG22 0.0026 0.0033 0.0026 1255 VAL 85 HG23 0.0029 0.0024 0.0047 1256 VAL 85 C 0.0041 0.0030 0.0056 1257 VAL 85 O 0.0038 0.0021 0.0067 1258 ILE 86 N 0.0052 0.0040 0.0057 1259 ILE 86 H 0.0057 0.0050 0.0049 1260 ILE 86 CA 0.0061 0.0040 0.0072 1261 ILE 86 HA 0.0056 0.0030 0.0080 1262 ILE 86 CB 0.0068 0.0049 0.0069 1263 ILE 86 HB 0.0071 0.0058 0.0061 1264 ILE 86 CG1 0.0059 0.0043 0.0063 1265 ILE 86 HG11 0.0059 0.0038 0.0073 1266 ILE 86 HG12 0.0049 0.0037 0.0058 1267 ILE 86 CG2 0.0079 0.0052 0.0084 1268 ILE 86 HG21 0.0087 0.0057 0.0089 1269 ILE 86 HG22 0.0076 0.0043 0.0093 1270 ILE 86 HG23 0.0085 0.0059 0.0082 1271 ILE 86 CD 0.0060 0.0052 0.0050 1272 ILE 86 HD1 0.0063 0.0060 0.0042 1273 ILE 86 HD2 0.0069 0.0058 0.0056 1274 ILE 86 HD3 0.0051 0.0047 0.0045 1275 ILE 86 C 0.0070 0.0045 0.0079 1276 ILE 86 O 0.0073 0.0054 0.0070 1277 ASP 87 N 0.0077 0.0044 0.0101 1278 ASP 87 H 0.0075 0.0038 0.0107 1279 ASP 87 CA 0.0085 0.0047 0.0109 1280 ASP 87 HA 0.0091 0.0058 0.0104 1281 ASP 87 CB 0.0077 0.0039 0.0108 1282 ASP 87 HB1 0.0084 0.0044 0.0113 1283 ASP 87 HB2 0.0071 0.0041 0.0096 1284 ASP 87 CG 0.0069 0.0024 0.0117 1285 ASP 87 OD1 0.0068 0.0019 0.0123 1286 ASP 87 OD2 0.0065 0.0017 0.0120 1287 ASP 87 C 0.0093 0.0045 0.0125 1288 ASP 87 O 0.0104 0.0053 0.0132 1289 GLY 88 N 0.0087 0.0033 0.0132 1290 GLY 88 H 0.0077 0.0026 0.0127 1291 GLY 88 CA 0.0092 0.0029 0.0147 1292 GLY 88 HA1 0.0087 0.0025 0.0145 1293 GLY 88 HA2 0.0101 0.0038 0.0150 1294 GLY 88 C 0.0090 0.0017 0.0159 1295 GLY 88 O 0.0090 0.0011 0.0170 1296 ARG 89 N 0.0088 0.0017 0.0158 1297 ARG 89 H 0.0088 0.0024 0.0150 1298 ARG 89 CA 0.0085 0.0006 0.0168 1299 ARG 89 HA 0.0092 0.0005 0.0178 1300 ARG 89 CB 0.0085 0.0007 0.0166 1301 ARG 89 HB1 0.0078 0.0007 0.0156 1302 ARG 89 HB2 0.0084 -0.0002 0.0175 1303 ARG 89 CG 0.0097 0.0020 0.0168 1304 ARG 89 HG1 0.0102 0.0016 0.0179 1305 ARG 89 HG2 0.0103 0.0027 0.0168 1306 ARG 89 CD 0.0095 0.0027 0.0155 1307 ARG 89 HD1 0.0104 0.0037 0.0157 1308 ARG 89 HD2 0.0091 0.0032 0.0144 1309 ARG 89 NE 0.0089 0.0021 0.0155 1310 ARG 89 HE 0.0093 0.0017 0.0165 1311 ARG 89 CZ 0.0081 0.0022 0.0143 1312 ARG 89 NH1 0.0076 0.0026 0.0130 1313 ARG 89 HH11 0.0075 0.0024 0.0130 1314 ARG 89 HH12 0.0071 0.0028 0.0120 1315 ARG 89 NH2 0.0077 0.0017 0.0144 1316 ARG 89 HH21 0.0081 0.0013 0.0153 1317 ARG 89 HH22 0.0073 0.0019 0.0134 1318 ARG 89 C 0.0071 -0.0006 0.0163 1319 ARG 89 O 0.0069 -0.0017 0.0173 1320 ASN 90 N 0.0063 -0.0005 0.0149 1321 ASN 90 H 0.0065 0.0004 0.0142 1322 ASN 90 CA 0.0050 -0.0016 0.0144 1323 ASN 90 HA 0.0048 -0.0025 0.0153 1324 ASN 90 CB 0.0041 -0.0018 0.0134 1325 ASN 90 HB1 0.0042 -0.0009 0.0124 1326 ASN 90 HB2 0.0032 -0.0025 0.0129 1327 ASN 90 CG 0.0042 -0.0023 0.0140 1328 ASN 90 OD1 0.0050 -0.0015 0.0143 1329 ASN 90 ND2 0.0033 -0.0035 0.0143 1330 ASN 90 HD21 0.0025 -0.0041 0.0139 1331 ASN 90 HD22 0.0033 -0.0037 0.0146 1332 ASN 90 C 0.0047 -0.0014 0.0137 1333 ASN 90 O 0.0040 -0.0024 0.0139 1334 VAL 91 N 0.0050 -0.0003 0.0127 1335 VAL 91 H 0.0056 0.0005 0.0125 1336 VAL 91 CA 0.0047 0.0001 0.0117 1337 VAL 91 HA 0.0041 -0.0007 0.0119 1338 VAL 91 CB 0.0039 0.0004 0.0099 1339 VAL 91 HB 0.0045 0.0013 0.0096 1340 VAL 91 CG1 0.0035 0.0007 0.0089 1341 VAL 91 HG11 0.0032 0.0012 0.0076 1342 VAL 91 HG12 0.0043 0.0015 0.0091 1343 VAL 91 HG13 0.0030 -0.0001 0.0091 1344 VAL 91 CG2 0.0027 -0.0008 0.0097 1345 VAL 91 HG21 0.0023 -0.0004 0.0085 1346 VAL 91 HG22 0.0020 -0.0016 0.0099 1347 VAL 91 HG23 0.0028 -0.0011 0.0103 1348 VAL 91 C 0.0060 0.0013 0.0120 1349 VAL 91 O 0.0067 0.0024 0.0115 1350 THR 92 N 0.0063 0.0011 0.0127 1351 THR 92 H 0.0056 0.0002 0.0130 1352 THR 92 CA 0.0073 0.0022 0.0128 1353 THR 92 HA 0.0081 0.0031 0.0127 1354 THR 92 CB 0.0077 0.0015 0.0144 1355 THR 92 HB 0.0084 0.0023 0.0144 1356 THR 92 OG1 0.0067 0.0004 0.0144 1357 THR 92 HG1 0.0061 -0.0003 0.0145 1358 THR 92 CG2 0.0082 0.0012 0.0156 1359 THR 92 HG21 0.0083 0.0006 0.0168 1360 THR 92 HG22 0.0090 0.0020 0.0158 1361 THR 92 HG23 0.0075 0.0006 0.0154 1362 THR 92 C 0.0068 0.0025 0.0115 1363 THR 92 O 0.0057 0.0019 0.0106 1364 VAL 93 N 0.0076 0.0034 0.0113 1365 VAL 93 H 0.0083 0.0036 0.0122 1366 VAL 93 CA 0.0074 0.0038 0.0104 1367 VAL 93 HA 0.0069 0.0040 0.0092 1368 VAL 93 CB 0.0087 0.0052 0.0104 1369 VAL 93 HB 0.0091 0.0050 0.0114 1370 VAL 93 CG1 0.0085 0.0057 0.0091 1371 VAL 93 HG11 0.0078 0.0057 0.0080 1372 VAL 93 HG12 0.0094 0.0066 0.0091 1373 VAL 93 HG13 0.0081 0.0052 0.0093 1374 VAL 93 CG2 0.0094 0.0061 0.0102 1375 VAL 93 HG21 0.0095 0.0057 0.0109 1376 VAL 93 HG22 0.0103 0.0070 0.0103 1377 VAL 93 HG23 0.0091 0.0063 0.0091 1378 VAL 93 C 0.0068 0.0028 0.0109 1379 VAL 93 O 0.0060 0.0026 0.0099 1380 THR 94 N 0.0071 0.0023 0.0124 1381 THR 94 H 0.0078 0.0025 0.0131 1382 THR 94 CA 0.0065 0.0012 0.0131 1383 THR 94 HA 0.0065 0.0014 0.0127 1384 THR 94 CB 0.0074 0.0011 0.0148 1385 THR 94 HB 0.0069 0.0001 0.0155 1386 THR 94 OG1 0.0078 0.0013 0.0152 1387 THR 94 HG1 0.0072 0.0006 0.0153 1388 THR 94 CG2 0.0084 0.0020 0.0151 1389 THR 94 HG21 0.0091 0.0021 0.0162 1390 THR 94 HG22 0.0081 0.0019 0.0148 1391 THR 94 HG23 0.0089 0.0030 0.0144 1392 THR 94 C 0.0052 -0.0000 0.0128 1393 THR 94 O 0.0045 -0.0008 0.0129 1394 ASP 95 N 0.0049 -0.0001 0.0126 1395 ASP 95 H 0.0055 0.0006 0.0125 1396 ASP 95 CA 0.0037 -0.0013 0.0124 1397 ASP 95 HA 0.0034 -0.0021 0.0134 1398 ASP 95 CB 0.0035 -0.0014 0.0123 1399 ASP 95 HB1 0.0039 -0.0006 0.0116 1400 ASP 95 HB2 0.0026 -0.0020 0.0117 1401 ASP 95 CG 0.0037 -0.0021 0.0138 1402 ASP 95 OD1 0.0029 -0.0032 0.0143 1403 ASP 95 OD2 0.0046 -0.0015 0.0144 1404 ASP 95 C 0.0027 -0.0015 0.0110 1405 ASP 95 O 0.0017 -0.0026 0.0110 1406 VAL 96 N 0.0029 -0.0005 0.0097 1407 VAL 96 H 0.0037 0.0003 0.0098 1408 VAL 96 CA 0.0019 -0.0007 0.0083 1409 VAL 96 HA 0.0011 -0.0016 0.0082 1410 VAL 96 CB 0.0023 0.0004 0.0069 1411 VAL 96 HB 0.0016 0.0004 0.0059 1412 VAL 96 CG1 0.0021 0.0004 0.0067 1413 VAL 96 HG11 0.0027 0.0005 0.0076 1414 VAL 96 HG12 0.0021 0.0010 0.0056 1415 VAL 96 HG13 0.0011 -0.0006 0.0066 1416 VAL 96 CG2 0.0036 0.0018 0.0071 1417 VAL 96 HG21 0.0039 0.0019 0.0074 1418 VAL 96 HG22 0.0037 0.0025 0.0060 1419 VAL 96 HG23 0.0043 0.0020 0.0080 1420 VAL 96 C 0.0017 -0.0008 0.0081 1421 VAL 96 O 0.0007 -0.0013 0.0071 1422 ASP 97 N 0.0027 -0.0003 0.0092 1423 ASP 97 H 0.0033 -0.0000 0.0099 1424 ASP 97 CA 0.0027 -0.0002 0.0091 1425 ASP 97 HA 0.0026 0.0004 0.0080 1426 ASP 97 CB 0.0038 0.0004 0.0100 1427 ASP 97 HB1 0.0045 0.0013 0.0097 1428 ASP 97 HB2 0.0039 -0.0001 0.0110 1429 ASP 97 CG 0.0040 0.0007 0.0098 1430 ASP 97 OD1 0.0042 0.0015 0.0088 1431 ASP 97 OD2 0.0040 0.0002 0.0108 1432 ASP 97 C 0.0018 -0.0014 0.0094 1433 ASP 97 O 0.0015 -0.0015 0.0091 1434 ILE 98 N 0.0013 -0.0023 0.0103 1435 ILE 98 H 0.0017 -0.0021 0.0104 1436 ILE 98 CA 0.0007 -0.0034 0.0110 1437 ILE 98 HA 0.0006 -0.0035 0.0110 1438 ILE 98 CB 0.0011 -0.0038 0.0124 1439 ILE 98 HB 0.0010 -0.0038 0.0123 1440 ILE 98 CG1 0.0023 -0.0031 0.0133 1441 ILE 98 HG11 0.0024 -0.0032 0.0137 1442 ILE 98 HG12 0.0029 -0.0022 0.0128 1443 ILE 98 CG2 0.0004 -0.0050 0.0132 1444 ILE 98 HG21 -0.0005 -0.0055 0.0126 1445 ILE 98 HG22 0.0003 -0.0052 0.0135 1446 ILE 98 HG23 0.0005 -0.0054 0.0142 1447 ILE 98 CD 0.0027 -0.0033 0.0145 1448 ILE 98 HD1 0.0036 -0.0029 0.0152 1449 ILE 98 HD2 0.0026 -0.0032 0.0141 1450 ILE 98 HD3 0.0023 -0.0042 0.0152 1451 ILE 98 C -0.0005 -0.0040 0.0101 1452 ILE 98 O -0.0006 -0.0039 0.0097 1453 VAL 99 N -0.0009 -0.0041 0.0100 1454 VAL 99 H -0.0007 -0.0041 0.0104 1455 VAL 99 CA -0.0021 -0.0049 0.0092 1456 VAL 99 HA -0.0022 -0.0052 0.0097 1457 VAL 99 CB -0.0024 -0.0044 0.0075 1458 VAL 99 HB -0.0033 -0.0051 0.0070 1459 VAL 99 CG1 -0.0019 -0.0036 0.0067 1460 VAL 99 HG11 -0.0021 -0.0039 0.0071 1461 VAL 99 HG12 -0.0010 -0.0028 0.0069 1462 VAL 99 HG13 -0.0024 -0.0035 0.0055 1463 VAL 99 CG2 -0.0019 -0.0037 0.0069 1464 VAL 99 HG21 -0.0010 -0.0031 0.0075 1465 VAL 99 HG22 -0.0024 -0.0042 0.0070 1466 VAL 99 HG23 -0.0020 -0.0032 0.0058 1467 VAL 99 C -0.0030 -0.0061 0.0098 1468 VAL 99 O -0.0040 -0.0069 0.0093 1469 PHE 100 N -0.0027 -0.0063 0.0111 1470 PHE 100 H -0.0018 -0.0057 0.0116 1471 PHE 100 CA -0.0035 -0.0072 0.0113 1472 PHE 100 HA -0.0037 -0.0070 0.0104 1473 PHE 100 CB -0.0029 -0.0073 0.0127 1474 PHE 100 HB1 -0.0022 -0.0065 0.0125 1475 PHE 100 HB2 -0.0025 -0.0074 0.0136 1476 PHE 100 CG -0.0036 -0.0082 0.0131 1477 PHE 100 CD1 -0.0038 -0.0081 0.0124 1478 PHE 100 HD1 -0.0036 -0.0074 0.0114 1479 PHE 100 CD2 -0.0039 -0.0091 0.0145 1480 PHE 100 HD2 -0.0037 -0.0092 0.0152 1481 PHE 100 CE1 -0.0044 -0.0089 0.0128 1482 PHE 100 HE1 -0.0047 -0.0088 0.0122 1483 PHE 100 CE2 -0.0044 -0.0099 0.0150 1484 PHE 100 HE2 -0.0045 -0.0105 0.0161 1485 PHE 100 CZ -0.0047 -0.0097 0.0142 1486 PHE 100 HZ -0.0050 -0.0103 0.0147 1487 PHE 100 C -0.0046 -0.0084 0.0114 1488 PHE 100 O -0.0055 -0.0091 0.0109 1489 SER 101 N -0.0044 -0.0086 0.0121 1490 SER 101 H -0.0036 -0.0081 0.0123 1491 SER 101 CA -0.0054 -0.0096 0.0124 1492 SER 101 HA -0.0061 -0.0100 0.0118 1493 SER 101 CB -0.0053 -0.0103 0.0138 1494 SER 101 HB1 -0.0060 -0.0111 0.0140 1495 SER 101 HB2 -0.0055 -0.0106 0.0139 1496 SER 101 OG -0.0044 -0.0100 0.0148 1497 SER 101 HG -0.0038 -0.0092 0.0144 1498 SER 101 C -0.0055 -0.0095 0.0118 1499 SER 101 O -0.0060 -0.0102 0.0122 1500 LYS 102 N -0.0051 -0.0086 0.0109 1501 LYS 102 H -0.0048 -0.0081 0.0104 1502 LYS 102 CA -0.0052 -0.0084 0.0101 1503 LYS 102 HA -0.0054 -0.0088 0.0107 1504 LYS 102 CB -0.0042 -0.0072 0.0096 1505 LYS 102 HB1 -0.0041 -0.0068 0.0090 1506 LYS 102 HB2 -0.0044 -0.0070 0.0089 1507 LYS 102 CG -0.0031 -0.0068 0.0108 1508 LYS 102 HG1 -0.0033 -0.0073 0.0114 1509 LYS 102 HG2 -0.0028 -0.0069 0.0115 1510 LYS 102 CD -0.0022 -0.0057 0.0102 1511 LYS 102 HD1 -0.0023 -0.0054 0.0094 1512 LYS 102 HD2 -0.0026 -0.0057 0.0096 1513 LYS 102 CE -0.0011 -0.0052 0.0112 1514 LYS 102 HE1 -0.0013 -0.0056 0.0117 1515 LYS 102 HE2 -0.0009 -0.0054 0.0119 1516 LYS 102 NZ -0.0002 -0.0041 0.0107 1517 LYS 102 HZ1 -0.0002 -0.0037 0.0098 1518 LYS 102 HZ2 -0.0002 -0.0041 0.0106 1519 LYS 102 HZ3 0.0006 -0.0038 0.0114 1520 LYS 102 C -0.0063 -0.0087 0.0089 1521 LYS 102 O -0.0068 -0.0089 0.0085 1522 ILE 103 N -0.0064 -0.0087 0.0085 1523 ILE 103 H -0.0058 -0.0083 0.0089 1524 ILE 103 CA -0.0075 -0.0093 0.0074 1525 ILE 103 HA -0.0078 -0.0092 0.0065 1526 ILE 103 CB -0.0073 -0.0088 0.0067 1527 ILE 103 HB -0.0080 -0.0091 0.0059 1528 ILE 103 CG1 -0.0071 -0.0091 0.0078 1529 ILE 103 HG11 -0.0065 -0.0090 0.0089 1530 ILE 103 HG12 -0.0079 -0.0100 0.0080 1531 ILE 103 CG2 -0.0062 -0.0074 0.0063 1532 ILE 103 HG21 -0.0061 -0.0071 0.0058 1533 ILE 103 HG22 -0.0054 -0.0071 0.0072 1534 ILE 103 HG23 -0.0062 -0.0070 0.0055 1535 ILE 103 CD -0.0068 -0.0085 0.0073 1536 ILE 103 HD1 -0.0070 -0.0090 0.0079 1537 ILE 103 HD2 -0.0073 -0.0085 0.0062 1538 ILE 103 HD3 -0.0060 -0.0077 0.0073 1539 ILE 103 C -0.0085 -0.0106 0.0081 1540 ILE 103 O -0.0082 -0.0109 0.0093 1541 LYS 104 N -0.0095 -0.0112 0.0073 1542 LYS 104 H -0.0096 -0.0108 0.0062 1543 LYS 104 CA -0.0105 -0.0124 0.0076 1544 LYS 104 HA -0.0105 -0.0129 0.0087 1545 LYS 104 CB -0.0115 -0.0130 0.0068 1546 LYS 104 HB1 -0.0115 -0.0125 0.0057 1547 LYS 104 HB2 -0.0123 -0.0139 0.0069 1548 LYS 104 CG -0.0114 -0.0132 0.0073 1549 LYS 104 HG1 -0.0114 -0.0137 0.0085 1550 LYS 104 HG2 -0.0106 -0.0124 0.0073 1551 LYS 104 CD -0.0124 -0.0137 0.0065 1552 LYS 104 HD1 -0.0123 -0.0132 0.0054 1553 LYS 104 HD2 -0.0131 -0.0145 0.0065 1554 LYS 104 CE -0.0123 -0.0140 0.0072 1555 LYS 104 HE1 -0.0128 -0.0149 0.0079 1556 LYS 104 HE2 -0.0114 -0.0135 0.0079 1557 LYS 104 NZ -0.0125 -0.0137 0.0061 1558 LYS 104 HZ1 -0.0126 -0.0140 0.0065 1559 LYS 104 HZ2 -0.0119 -0.0129 0.0057 1560 LYS 104 HZ3 -0.0133 -0.0141 0.0053 1561 LYS 104 C -0.0109 -0.0124 0.0068 1562 LYS 104 O -0.0108 -0.0118 0.0056 1563 GLY 105 N -0.0112 -0.0131 0.0075 1564 GLY 105 H -0.0107 -0.0138 0.0086 1565 GLY 105 CA -0.0121 -0.0137 0.0070 1566 GLY 105 HA1 -0.0133 -0.0146 0.0067 1567 GLY 105 HA2 -0.0123 -0.0128 0.0060 1568 GLY 105 C -0.0116 -0.0143 0.0083 1569 GLY 105 O -0.0109 -0.0150 0.0097 1570 LYS 106 N -0.0118 -0.0142 0.0078 1571 LYS 106 H -0.0125 -0.0138 0.0067 1572 LYS 106 CA -0.0109 -0.0142 0.0088 1573 LYS 106 HA -0.0109 -0.0153 0.0099 1574 LYS 106 CB -0.0116 -0.0140 0.0079 1575 LYS 106 HB1 -0.0117 -0.0129 0.0067 1576 LYS 106 HB2 -0.0109 -0.0138 0.0085 1577 LYS 106 CG -0.0131 -0.0154 0.0076 1578 LYS 106 HG1 -0.0130 -0.0164 0.0087 1579 LYS 106 HG2 -0.0138 -0.0157 0.0072 1580 LYS 106 CD -0.0140 -0.0152 0.0065 1581 LYS 106 HD1 -0.0145 -0.0146 0.0053 1582 LYS 106 HD2 -0.0133 -0.0146 0.0067 1583 LYS 106 CE -0.0152 -0.0168 0.0068 1584 LYS 106 HE1 -0.0147 -0.0174 0.0080 1585 LYS 106 HE2 -0.0158 -0.0173 0.0066 1586 LYS 106 NZ -0.0159 -0.0166 0.0058 1587 LYS 106 HZ1 -0.0164 -0.0159 0.0046 1588 LYS 106 HZ2 -0.0154 -0.0162 0.0061 1589 LYS 106 HZ3 -0.0169 -0.0176 0.0058 1590 LYS 106 C -0.0093 -0.0127 0.0091 1591 LYS 106 O -0.0092 -0.0114 0.0080 1592 SER 107 N -0.0088 -0.0125 0.0103 1593 SER 107 H -0.0093 -0.0133 0.0110 1594 SER 107 CA -0.0074 -0.0114 0.0110 1595 SER 107 HA -0.0072 -0.0109 0.0105 1596 SER 107 CB -0.0070 -0.0118 0.0128 1597 SER 107 HB1 -0.0071 -0.0120 0.0131 1598 SER 107 HB2 -0.0061 -0.0111 0.0133 1599 SER 107 OG -0.0075 -0.0127 0.0135 1600 SER 107 HG -0.0082 -0.0131 0.0128 1601 SER 107 C -0.0068 -0.0104 0.0103 1602 SER 107 O -0.0070 -0.0106 0.0104 1603 CYS 108 N -0.0060 -0.0092 0.0096 1604 CYS 108 H -0.0059 -0.0091 0.0097 1605 CYS 108 CA -0.0056 -0.0082 0.0085 1606 CYS 108 HA -0.0054 -0.0082 0.0089 1607 CYS 108 CB -0.0067 -0.0086 0.0070 1608 CYS 108 HB1 -0.0075 -0.0096 0.0072 1609 CYS 108 HB2 -0.0066 -0.0081 0.0061 1610 CYS 108 SG -0.0067 -0.0082 0.0060 1611 CYS 108 HG -0.0078 -0.0090 0.0052 1612 CYS 108 C -0.0046 -0.0070 0.0081 1613 CYS 108 O -0.0047 -0.0070 0.0080 1614 ARG 109 N -0.0038 -0.0057 0.0076 1615 ARG 109 H -0.0038 -0.0058 0.0077 1616 ARG 109 CA -0.0029 -0.0046 0.0071 1617 ARG 109 HA -0.0028 -0.0046 0.0075 1618 ARG 109 CB -0.0019 -0.0038 0.0077 1619 ARG 109 HB1 -0.0022 -0.0039 0.0073 1620 ARG 109 HB2 -0.0014 -0.0029 0.0071 1621 ARG 109 CG -0.0014 -0.0040 0.0093 1622 ARG 109 HG1 -0.0012 -0.0040 0.0096 1623 ARG 109 HG2 -0.0020 -0.0049 0.0099 1624 ARG 109 CD -0.0005 -0.0034 0.0100 1625 ARG 109 HD1 0.0002 -0.0025 0.0096 1626 ARG 109 HD2 -0.0002 -0.0036 0.0111 1627 ARG 109 NE -0.0006 -0.0031 0.0093 1628 ARG 109 HE -0.0002 -0.0024 0.0086 1629 ARG 109 CZ -0.0009 -0.0037 0.0097 1630 ARG 109 NH1 -0.0013 -0.0047 0.0108 1631 ARG 109 HH11 -0.0016 -0.0051 0.0111 1632 ARG 109 HH12 -0.0014 -0.0050 0.0114 1633 ARG 109 NH2 -0.0009 -0.0034 0.0091 1634 ARG 109 HH21 -0.0004 -0.0026 0.0085 1635 ARG 109 HH22 -0.0012 -0.0038 0.0094 1636 ARG 109 C -0.0033 -0.0042 0.0056 1637 ARG 109 O -0.0027 -0.0033 0.0050 1638 THR 110 N -0.0041 -0.0047 0.0048 1639 THR 110 H -0.0045 -0.0054 0.0054 1640 THR 110 CA -0.0047 -0.0046 0.0033 1641 THR 110 HA -0.0041 -0.0037 0.0028 1642 THR 110 CB -0.0052 -0.0050 0.0029 1643 THR 110 HB -0.0059 -0.0059 0.0033 1644 THR 110 OG1 -0.0043 -0.0043 0.0033 1645 THR 110 HG1 -0.0038 -0.0035 0.0029 1646 THR 110 CG2 -0.0058 -0.0048 0.0013 1647 THR 110 HG21 -0.0062 -0.0050 0.0009 1648 THR 110 HG22 -0.0052 -0.0039 0.0007 1649 THR 110 HG23 -0.0064 -0.0054 0.0010 1650 THR 110 C -0.0055 -0.0054 0.0031 1651 THR 110 O -0.0059 -0.0063 0.0041 1652 ILE 111 N -0.0055 -0.0048 0.0022 1653 ILE 111 H -0.0051 -0.0041 0.0016 1654 ILE 111 CA -0.0061 -0.0053 0.0020 1655 ILE 111 HA -0.0066 -0.0061 0.0025 1656 ILE 111 CB -0.0054 -0.0047 0.0023 1657 ILE 111 HB -0.0058 -0.0053 0.0025 1658 ILE 111 CG1 -0.0048 -0.0037 0.0013 1659 ILE 111 HG11 -0.0044 -0.0032 0.0013 1660 ILE 111 HG12 -0.0053 -0.0037 0.0004 1661 ILE 111 CG2 -0.0047 -0.0047 0.0038 1662 ILE 111 HG21 -0.0040 -0.0040 0.0038 1663 ILE 111 HG22 -0.0045 -0.0048 0.0043 1664 ILE 111 HG23 -0.0049 -0.0054 0.0045 1665 ILE 111 CD -0.0040 -0.0031 0.0018 1666 ILE 111 HD1 -0.0035 -0.0029 0.0026 1667 ILE 111 HD2 -0.0038 -0.0024 0.0010 1668 ILE 111 HD3 -0.0044 -0.0037 0.0022 1669 ILE 111 C -0.0068 -0.0053 0.0006 1670 ILE 111 O -0.0064 -0.0046 -0.0003 1671 THR 112 N -0.0077 -0.0061 0.0002 1672 THR 112 H -0.0080 -0.0067 0.0008 1673 THR 112 CA -0.0083 -0.0060 -0.0012 1674 THR 112 HA -0.0080 -0.0055 -0.0018 1675 THR 112 CB -0.0094 -0.0071 -0.0012 1676 THR 112 HB -0.0099 -0.0072 -0.0022 1677 THR 112 OG1 -0.0097 -0.0079 -0.0005 1678 THR 112 HG1 -0.0098 -0.0083 0.0002 1679 THR 112 CG2 -0.0094 -0.0073 -0.0009 1680 THR 112 HG21 -0.0102 -0.0080 -0.0010 1681 THR 112 HG22 -0.0091 -0.0067 -0.0016 1682 THR 112 HG23 -0.0090 -0.0074 0.0001 1683 THR 112 C -0.0082 -0.0057 -0.0016 1684 THR 112 O -0.0078 -0.0057 -0.0008 1685 PHE 113 N -0.0083 -0.0053 -0.0024 1686 PHE 113 H -0.0087 -0.0055 -0.0030 1687 PHE 113 CA -0.0084 -0.0050 -0.0031 1688 PHE 113 HA -0.0076 -0.0042 -0.0031 1689 PHE 113 CB -0.0091 -0.0050 -0.0045 1690 PHE 113 HB1 -0.0089 -0.0044 -0.0051 1691 PHE 113 HB2 -0.0099 -0.0059 -0.0046 1692 PHE 113 CG -0.0091 -0.0045 -0.0053 1693 PHE 113 CD1 -0.0100 -0.0053 -0.0058 1694 PHE 113 HD1 -0.0106 -0.0062 -0.0055 1695 PHE 113 CD2 -0.0082 -0.0034 -0.0056 1696 PHE 113 HD2 -0.0077 -0.0029 -0.0055 1697 PHE 113 CE1 -0.0099 -0.0049 -0.0064 1698 PHE 113 HE1 -0.0106 -0.0054 -0.0066 1699 PHE 113 CE2 -0.0082 -0.0030 -0.0063 1700 PHE 113 HE2 -0.0076 -0.0021 -0.0065 1701 PHE 113 CZ -0.0090 -0.0037 -0.0066 1702 PHE 113 HZ -0.0091 -0.0035 -0.0072 1703 PHE 113 C -0.0087 -0.0058 -0.0023 1704 PHE 113 O -0.0082 -0.0055 -0.0018 1705 GLU 114 N -0.0096 -0.0069 -0.0020 1706 GLU 114 H -0.0099 -0.0071 -0.0024 1707 GLU 114 CA -0.0100 -0.0079 -0.0011 1708 GLU 114 HA -0.0104 -0.0081 -0.0015 1709 GLU 114 CB -0.0108 -0.0090 -0.0010 1710 GLU 114 HB1 -0.0106 -0.0087 -0.0010 1711 GLU 114 HB2 -0.0108 -0.0095 0.0000 1712 GLU 114 CG -0.0119 -0.0096 -0.0020 1713 GLU 114 HG1 -0.0124 -0.0104 -0.0016 1714 GLU 114 HG2 -0.0121 -0.0098 -0.0020 1715 GLU 114 CD -0.0121 -0.0090 -0.0034 1716 GLU 114 OE1 -0.0115 -0.0083 -0.0035 1717 GLU 114 OE2 -0.0129 -0.0093 -0.0044 1718 GLU 114 C -0.0091 -0.0077 0.0002 1719 GLU 114 O -0.0086 -0.0074 0.0005 1720 GLN 115 N -0.0096 -0.0078 0.0004 1721 GLN 115 H -0.0099 -0.0080 0.0002 1722 GLN 115 CA -0.0088 -0.0078 0.0019 1723 GLN 115 HA -0.0092 -0.0085 0.0024 1724 GLN 115 CB -0.0086 -0.0079 0.0024 1725 GLN 115 HB1 -0.0084 -0.0073 0.0016 1726 GLN 115 HB2 -0.0079 -0.0077 0.0033 1727 GLN 115 CG -0.0095 -0.0090 0.0028 1728 GLN 115 HG1 -0.0095 -0.0096 0.0037 1729 GLN 115 HG2 -0.0103 -0.0094 0.0020 1730 GLN 115 CD -0.0095 -0.0092 0.0031 1731 GLN 115 OE1 -0.0089 -0.0084 0.0027 1732 GLN 115 NE2 -0.0101 -0.0102 0.0038 1733 GLN 115 HE21 -0.0105 -0.0108 0.0042 1734 GLN 115 HE22 -0.0100 -0.0103 0.0042 1735 GLN 115 C -0.0077 -0.0068 0.0020 1736 GLN 115 O -0.0072 -0.0069 0.0030 1737 PHE 116 N -0.0073 -0.0058 0.0009 1738 PHE 116 H -0.0079 -0.0059 0.0001 1739 PHE 116 CA -0.0063 -0.0047 0.0008 1740 PHE 116 HA -0.0056 -0.0044 0.0016 1741 PHE 116 CB -0.0063 -0.0040 -0.0007 1742 PHE 116 HB1 -0.0061 -0.0038 -0.0007 1743 PHE 116 HB2 -0.0072 -0.0044 -0.0014 1744 PHE 116 CG -0.0056 -0.0029 -0.0014 1745 PHE 116 CD1 -0.0045 -0.0020 -0.0011 1746 PHE 116 HD1 -0.0042 -0.0021 -0.0003 1747 PHE 116 CD2 -0.0061 -0.0027 -0.0026 1748 PHE 116 HD2 -0.0070 -0.0034 -0.0029 1749 PHE 116 CE1 -0.0039 -0.0009 -0.0018 1750 PHE 116 HE1 -0.0030 -0.0001 -0.0016 1751 PHE 116 CE2 -0.0055 -0.0016 -0.0034 1752 PHE 116 HE2 -0.0059 -0.0015 -0.0043 1753 PHE 116 CZ -0.0044 -0.0008 -0.0029 1754 PHE 116 HZ -0.0039 0.0001 -0.0036 1755 PHE 116 C -0.0063 -0.0047 0.0008 1756 PHE 116 O -0.0055 -0.0044 0.0016 1757 GLN 117 N -0.0076 -0.0054 0.0001 1758 GLN 117 H -0.0081 -0.0055 -0.0006 1759 GLN 117 CA -0.0077 -0.0055 0.0001 1760 GLN 117 HA -0.0070 -0.0048 0.0001 1761 GLN 117 CB -0.0088 -0.0060 -0.0010 1762 GLN 117 HB1 -0.0088 -0.0054 -0.0019 1763 GLN 117 HB2 -0.0096 -0.0067 -0.0009 1764 GLN 117 CG -0.0089 -0.0060 -0.0012 1765 GLN 117 HG1 -0.0090 -0.0065 -0.0004 1766 GLN 117 HG2 -0.0083 -0.0051 -0.0016 1767 GLN 117 CD -0.0100 -0.0063 -0.0024 1768 GLN 117 OE1 -0.0103 -0.0065 -0.0025 1769 GLN 117 NE2 -0.0106 -0.0064 -0.0033 1770 GLN 117 HE21 -0.0104 -0.0063 -0.0034 1771 GLN 117 HE22 -0.0112 -0.0066 -0.0042 1772 GLN 117 C -0.0079 -0.0064 0.0014 1773 GLN 117 O -0.0075 -0.0063 0.0019 1774 GLU 118 N -0.0084 -0.0071 0.0020 1775 GLU 118 H -0.0085 -0.0070 0.0016 1776 GLU 118 CA -0.0086 -0.0080 0.0033 1777 GLU 118 HA -0.0090 -0.0084 0.0032 1778 GLU 118 CB -0.0095 -0.0090 0.0036 1779 GLU 118 HB1 -0.0102 -0.0092 0.0027 1780 GLU 118 HB2 -0.0091 -0.0087 0.0036 1781 GLU 118 CG -0.0099 -0.0101 0.0048 1782 GLU 118 HG1 -0.0104 -0.0106 0.0050 1783 GLU 118 HG2 -0.0092 -0.0099 0.0057 1784 GLU 118 CD -0.0107 -0.0106 0.0045 1785 GLU 118 OE1 -0.0115 -0.0108 0.0034 1786 GLU 118 OE2 -0.0104 -0.0109 0.0054 1787 GLU 118 C -0.0075 -0.0077 0.0046 1788 GLU 118 O -0.0073 -0.0080 0.0055 1789 ALA 119 N -0.0071 -0.0071 0.0043 1790 ALA 119 H -0.0075 -0.0070 0.0036 1791 ALA 119 CA -0.0059 -0.0064 0.0052 1792 ALA 119 HA -0.0059 -0.0070 0.0062 1793 ALA 119 CB -0.0052 -0.0056 0.0049 1794 ALA 119 HB1 -0.0043 -0.0052 0.0055 1795 ALA 119 HB2 -0.0055 -0.0061 0.0053 1796 ALA 119 HB3 -0.0054 -0.0052 0.0038 1797 ALA 119 C -0.0052 -0.0057 0.0050 1798 ALA 119 O -0.0046 -0.0056 0.0061 1799 LEU 120 N -0.0053 -0.0050 0.0037 1800 LEU 120 H -0.0057 -0.0050 0.0030 1801 LEU 120 CA -0.0047 -0.0042 0.0031 1802 LEU 120 HA -0.0038 -0.0035 0.0035 1803 LEU 120 CB -0.0051 -0.0037 0.0015 1804 LEU 120 HB1 -0.0050 -0.0034 0.0012 1805 LEU 120 HB2 -0.0060 -0.0043 0.0010 1806 LEU 120 CG -0.0045 -0.0027 0.0007 1807 LEU 120 HG -0.0045 -0.0028 0.0010 1808 LEU 120 CD1 -0.0032 -0.0017 0.0011 1809 LEU 120 HD11 -0.0027 -0.0010 0.0006 1810 LEU 120 HD12 -0.0028 -0.0020 0.0022 1811 LEU 120 HD13 -0.0032 -0.0015 0.0008 1812 LEU 120 CD2 -0.0052 -0.0025 -0.0009 1813 LEU 120 HD21 -0.0052 -0.0024 -0.0011 1814 LEU 120 HD22 -0.0061 -0.0032 -0.0011 1815 LEU 120 HD23 -0.0048 -0.0017 -0.0015 1816 LEU 120 C -0.0051 -0.0048 0.0036 1817 LEU 120 O -0.0043 -0.0043 0.0040 1818 GLU 121 N -0.0065 -0.0062 0.0038 1819 GLU 121 H -0.0070 -0.0065 0.0033 1820 GLU 121 CA -0.0070 -0.0070 0.0044 1821 GLU 121 HA -0.0068 -0.0066 0.0039 1822 GLU 121 CB -0.0082 -0.0080 0.0040 1823 GLU 121 HB1 -0.0086 -0.0077 0.0028 1824 GLU 121 HB2 -0.0085 -0.0084 0.0044 1825 GLU 121 CG -0.0090 -0.0089 0.0042 1826 GLU 121 HG1 -0.0089 -0.0094 0.0054 1827 GLU 121 HG2 -0.0087 -0.0084 0.0038 1828 GLU 121 CD -0.0103 -0.0098 0.0036 1829 GLU 121 OE1 -0.0108 -0.0097 0.0025 1830 GLU 121 OE2 -0.0111 -0.0108 0.0041 1831 GLU 121 C -0.0064 -0.0073 0.0061 1832 GLU 121 O -0.0059 -0.0072 0.0067 1833 GLU 122 N -0.0062 -0.0076 0.0069 1834 GLU 122 H -0.0065 -0.0075 0.0063 1835 GLU 122 CA -0.0057 -0.0079 0.0085 1836 GLU 122 HA -0.0061 -0.0086 0.0090 1837 GLU 122 CB -0.0058 -0.0083 0.0089 1838 GLU 122 HB1 -0.0068 -0.0090 0.0085 1839 GLU 122 HB2 -0.0053 -0.0076 0.0085 1840 GLU 122 CG -0.0054 -0.0088 0.0106 1841 GLU 122 HG1 -0.0057 -0.0092 0.0108 1842 GLU 122 HG2 -0.0045 -0.0081 0.0111 1843 GLU 122 CD -0.0060 -0.0098 0.0115 1844 GLU 122 OE1 -0.0054 -0.0099 0.0128 1845 GLU 122 OE2 -0.0068 -0.0103 0.0108 1846 GLU 122 C -0.0043 -0.0069 0.0090 1847 GLU 122 O -0.0038 -0.0070 0.0103 1848 LEU 123 N -0.0038 -0.0061 0.0077 1849 LEU 123 H -0.0044 -0.0061 0.0068 1850 LEU 123 CA -0.0026 -0.0049 0.0078 1851 LEU 123 HA -0.0020 -0.0049 0.0089 1852 LEU 123 CB -0.0025 -0.0041 0.0068 1853 LEU 123 HB1 -0.0024 -0.0043 0.0072 1854 LEU 123 HB2 -0.0031 -0.0042 0.0057 1855 LEU 123 CG -0.0013 -0.0027 0.0065 1856 LEU 123 HG -0.0012 -0.0024 0.0060 1857 LEU 123 CD1 -0.0003 -0.0026 0.0079 1858 LEU 123 HD11 0.0006 -0.0017 0.0078 1859 LEU 123 HD12 -0.0003 -0.0031 0.0088 1860 LEU 123 HD13 -0.0002 -0.0028 0.0084 1861 LEU 123 CD2 -0.0012 -0.0020 0.0055 1862 LEU 123 HD21 -0.0006 -0.0011 0.0049 1863 LEU 123 HD22 -0.0009 -0.0021 0.0060 1864 LEU 123 HD23 -0.0020 -0.0024 0.0046 1865 LEU 123 C -0.0025 -0.0046 0.0074 1866 LEU 123 O -0.0017 -0.0041 0.0081 1867 ALA 124 N -0.0034 -0.0049 0.0064 1868 ALA 124 H -0.0040 -0.0051 0.0058 1869 ALA 124 CA -0.0035 -0.0048 0.0061 1870 ALA 124 HA -0.0028 -0.0038 0.0058 1871 ALA 124 CB -0.0047 -0.0052 0.0049 1872 ALA 124 HB1 -0.0047 -0.0049 0.0043 1873 ALA 124 HB2 -0.0048 -0.0048 0.0040 1874 ALA 124 HB3 -0.0055 -0.0062 0.0052 1875 ALA 124 C -0.0035 -0.0055 0.0074 1876 ALA 124 O -0.0029 -0.0051 0.0076 1877 LYS 125 N -0.0042 -0.0067 0.0086 1878 LYS 125 H -0.0047 -0.0071 0.0084 1879 LYS 125 CA -0.0041 -0.0074 0.0099 1880 LYS 125 HA -0.0042 -0.0072 0.0095 1881 LYS 125 CB -0.0052 -0.0087 0.0104 1882 LYS 125 HB1 -0.0052 -0.0088 0.0104 1883 LYS 125 HB2 -0.0049 -0.0092 0.0115 1884 LYS 125 CG -0.0065 -0.0093 0.0093 1885 LYS 125 HG1 -0.0065 -0.0094 0.0094 1886 LYS 125 HG2 -0.0067 -0.0088 0.0082 1887 LYS 125 CD -0.0075 -0.0105 0.0095 1888 LYS 125 HD1 -0.0074 -0.0103 0.0095 1889 LYS 125 HD2 -0.0076 -0.0112 0.0106 1890 LYS 125 CE -0.0087 -0.0109 0.0084 1891 LYS 125 HE1 -0.0089 -0.0111 0.0084 1892 LYS 125 HE2 -0.0087 -0.0101 0.0073 1893 LYS 125 NZ -0.0098 -0.0121 0.0086 1894 LYS 125 HZ1 -0.0099 -0.0119 0.0082 1895 LYS 125 HZ2 -0.0096 -0.0126 0.0097 1896 LYS 125 HZ3 -0.0106 -0.0125 0.0081 1897 LYS 125 C -0.0028 -0.0070 0.0112 1898 LYS 125 O -0.0027 -0.0076 0.0123 1899 LYS 126 N -0.0020 -0.0063 0.0112 1900 LYS 126 H -0.0023 -0.0059 0.0102 1901 LYS 126 CA -0.0007 -0.0057 0.0123 1902 LYS 126 HA -0.0006 -0.0063 0.0134 1903 LYS 126 CB -0.0002 -0.0053 0.0123 1904 LYS 126 HB1 -0.0009 -0.0061 0.0126 1905 LYS 126 HB2 -0.0004 -0.0047 0.0112 1906 LYS 126 CG 0.0011 -0.0047 0.0133 1907 LYS 126 HG1 0.0017 -0.0037 0.0127 1908 LYS 126 HG2 0.0017 -0.0044 0.0138 1909 LYS 126 CD 0.0012 -0.0054 0.0146 1910 LYS 126 HD1 0.0004 -0.0063 0.0148 1911 LYS 126 HD2 0.0011 -0.0052 0.0141 1912 LYS 126 CE 0.0024 -0.0052 0.0160 1913 LYS 126 HE1 0.0025 -0.0055 0.0167 1914 LYS 126 HE2 0.0022 -0.0058 0.0168 1915 LYS 126 NZ 0.0036 -0.0039 0.0159 1916 LYS 126 HZ1 0.0044 -0.0038 0.0168 1917 LYS 126 HZ2 0.0037 -0.0036 0.0155 1918 LYS 126 HZ3 0.0038 -0.0033 0.0151 1919 LYS 126 C 0.0002 -0.0045 0.0118 1920 LYS 126 O 0.0008 -0.0045 0.0126 1921 ARG 127 N 0.0002 -0.0038 0.0101 1922 ARG 127 H -0.0006 -0.0042 0.0095 1923 ARG 127 CA 0.0008 -0.0027 0.0094 1924 ARG 127 HA 0.0017 -0.0021 0.0099 1925 ARG 127 CB 0.0004 -0.0020 0.0078 1926 ARG 127 HB1 0.0007 -0.0016 0.0077 1927 ARG 127 HB2 -0.0005 -0.0026 0.0074 1928 ARG 127 CG 0.0008 -0.0009 0.0068 1929 ARG 127 HG1 0.0002 -0.0007 0.0057 1930 ARG 127 HG2 0.0006 -0.0011 0.0068 1931 ARG 127 CD 0.0021 0.0003 0.0071 1932 ARG 127 HD1 0.0025 0.0005 0.0073 1933 ARG 127 HD2 0.0022 0.0011 0.0061 1934 ARG 127 NE 0.0029 0.0004 0.0082 1935 ARG 127 HE 0.0025 0.0001 0.0079 1936 ARG 127 CZ 0.0040 0.0007 0.0093 1937 ARG 127 NH1 0.0046 0.0012 0.0094 1938 ARG 127 HH11 0.0044 0.0016 0.0086 1939 ARG 127 HH12 0.0053 0.0014 0.0103 1940 ARG 127 NH2 0.0045 0.0005 0.0104 1941 ARG 127 HH21 0.0042 0.0002 0.0103 1942 ARG 127 HH22 0.0054 0.0009 0.0111 1943 ARG 127 C 0.0005 -0.0029 0.0093 1944 ARG 127 O 0.0013 -0.0025 0.0099 1945 PHE 128 N -0.0007 -0.0039 0.0089 1946 PHE 128 H -0.0014 -0.0043 0.0085 1947 PHE 128 CA -0.0011 -0.0043 0.0090 1948 PHE 128 HA -0.0004 -0.0036 0.0090 1949 PHE 128 CB -0.0022 -0.0045 0.0076 1950 PHE 128 HB1 -0.0030 -0.0053 0.0076 1951 PHE 128 HB2 -0.0025 -0.0050 0.0078 1952 PHE 128 CG -0.0021 -0.0034 0.0061 1953 PHE 128 CD1 -0.0011 -0.0022 0.0059 1954 PHE 128 HD1 -0.0004 -0.0021 0.0067 1955 PHE 128 CD2 -0.0029 -0.0036 0.0051 1956 PHE 128 HD2 -0.0037 -0.0045 0.0054 1957 PHE 128 CE1 -0.0010 -0.0012 0.0046 1958 PHE 128 HE1 -0.0003 -0.0003 0.0044 1959 PHE 128 CE2 -0.0028 -0.0025 0.0038 1960 PHE 128 HE2 -0.0035 -0.0027 0.0030 1961 PHE 128 CZ -0.0018 -0.0014 0.0036 1962 PHE 128 HZ -0.0018 -0.0006 0.0025 1963 PHE 128 C -0.0015 -0.0056 0.0102 1964 PHE 128 O -0.0024 -0.0066 0.0102 1965 LYS 129 N -0.0005 -0.0055 0.0120 1966 LYS 129 H 0.0004 -0.0044 0.0122 1967 LYS 129 CA -0.0006 -0.0068 0.0135 1968 LYS 129 HA -0.0016 -0.0079 0.0131 1969 LYS 129 CB 0.0002 -0.0069 0.0150 1970 LYS 129 HB1 0.0012 -0.0058 0.0153 1971 LYS 129 HB2 0.0002 -0.0078 0.0161 1972 LYS 129 CG -0.0001 -0.0072 0.0147 1973 LYS 129 HG1 -0.0011 -0.0079 0.0138 1974 LYS 129 HG2 0.0004 -0.0061 0.0142 1975 LYS 129 CD 0.0002 -0.0080 0.0164 1976 LYS 129 HD1 0.0012 -0.0072 0.0171 1977 LYS 129 HD2 -0.0002 -0.0091 0.0170 1978 LYS 129 CE 0.0001 -0.0080 0.0161 1979 LYS 129 HE1 0.0005 -0.0069 0.0154 1980 LYS 129 HE2 0.0006 -0.0083 0.0173 1981 LYS 129 NZ -0.0012 -0.0094 0.0155 1982 LYS 129 HZ1 -0.0018 -0.0091 0.0143 1983 LYS 129 HZ2 -0.0013 -0.0096 0.0156 1984 LYS 129 HZ3 -0.0015 -0.0103 0.0162 1985 LYS 129 C -0.0002 -0.0066 0.0139 1986 LYS 129 O -0.0005 -0.0078 0.0147 1987 ASP 130 N 0.0005 -0.0052 0.0133 1988 ASP 130 H 0.0010 -0.0042 0.0130 1989 ASP 130 CA 0.0010 -0.0048 0.0137 1990 ASP 130 HA 0.0014 -0.0052 0.0150 1991 ASP 130 CB 0.0018 -0.0030 0.0129 1992 ASP 130 HB1 0.0024 -0.0024 0.0133 1993 ASP 130 HB2 0.0012 -0.0027 0.0115 1994 ASP 130 CG 0.0025 -0.0023 0.0133 1995 ASP 130 OD1 0.0029 -0.0029 0.0148 1996 ASP 130 OD2 0.0024 -0.0015 0.0122 1997 ASP 130 C -0.0001 -0.0056 0.0128 1998 ASP 130 O -0.0011 -0.0059 0.0114 1999 LYS 131 N 0.0002 -0.0061 0.0140 2000 LYS 131 H 0.0012 -0.0055 0.0151 2001 LYS 131 CA -0.0010 -0.0074 0.0134 2002 LYS 131 HA -0.0020 -0.0085 0.0131 2003 LYS 131 CB -0.0005 -0.0080 0.0152 2004 LYS 131 HB1 0.0004 -0.0067 0.0152 2005 LYS 131 HB2 -0.0014 -0.0090 0.0149 2006 LYS 131 CG -0.0000 -0.0090 0.0174 2007 LYS 131 HG1 -0.0009 -0.0102 0.0174 2008 LYS 131 HG2 0.0009 -0.0081 0.0180 2009 LYS 131 CD 0.0004 -0.0095 0.0190 2010 LYS 131 HD1 0.0012 -0.0082 0.0187 2011 LYS 131 HD2 -0.0006 -0.0107 0.0187 2012 LYS 131 CE 0.0012 -0.0100 0.0212 2013 LYS 131 HE1 0.0006 -0.0110 0.0212 2014 LYS 131 HE2 0.0024 -0.0089 0.0218 2015 LYS 131 NZ 0.0013 -0.0110 0.0225 2016 LYS 131 HZ1 0.0002 -0.0121 0.0219 2017 LYS 131 HZ2 0.0020 -0.0111 0.0240 2018 LYS 131 HZ3 0.0016 -0.0102 0.0221 2019 LYS 131 C -0.0014 -0.0064 0.0115 2020 LYS 131 O -0.0025 -0.0074 0.0107 2021 SER 132 N -0.0005 -0.0046 0.0106 2022 SER 132 H 0.0005 -0.0038 0.0114 2023 SER 132 CA -0.0009 -0.0035 0.0086 2024 SER 132 HA -0.0014 -0.0040 0.0083 2025 SER 132 CB 0.0007 -0.0014 0.0086 2026 SER 132 HB1 0.0005 -0.0007 0.0074 2027 SER 132 HB2 0.0014 -0.0014 0.0100 2028 SER 132 OG 0.0013 -0.0004 0.0085 2029 SER 132 HG 0.0019 -0.0005 0.0099 2030 SER 132 C -0.0020 -0.0037 0.0068 2031 SER 132 O -0.0027 -0.0033 0.0049 2032 SER 133 N -0.0021 -0.0043 0.0076 2033 SER 133 H -0.0016 -0.0046 0.0090 2034 SER 133 CA -0.0027 -0.0042 0.0064 2035 SER 133 HA -0.0032 -0.0039 0.0049 2036 SER 133 CB -0.0013 -0.0030 0.0068 2037 SER 133 HB1 -0.0016 -0.0030 0.0062 2038 SER 133 HB2 -0.0006 -0.0018 0.0060 2039 SER 133 OG -0.0004 -0.0032 0.0087 2040 SER 133 HG -0.0008 -0.0040 0.0095 2041 SER 133 C -0.0039 -0.0059 0.0070 2042 SER 133 O -0.0039 -0.0061 0.0075 2043 GLU 134 N -0.0051 -0.0070 0.0068 2044 GLU 134 H -0.0052 -0.0067 0.0061 2045 GLU 134 CA -0.0063 -0.0086 0.0076 2046 GLU 134 HA -0.0060 -0.0091 0.0089 2047 GLU 134 CB -0.0070 -0.0095 0.0078 2048 GLU 134 HB1 -0.0061 -0.0088 0.0082 2049 GLU 134 HB2 -0.0079 -0.0097 0.0066 2050 GLU 134 CG -0.0075 -0.0110 0.0095 2051 GLU 134 HG1 -0.0066 -0.0108 0.0107 2052 GLU 134 HG2 -0.0077 -0.0113 0.0098 2053 GLU 134 CD -0.0090 -0.0123 0.0090 2054 GLU 134 OE1 -0.0100 -0.0124 0.0076 2055 GLU 134 OE2 -0.0093 -0.0131 0.0099 2056 GLU 134 C -0.0076 -0.0091 0.0061 2057 GLU 134 O -0.0082 -0.0099 0.0065 2058 GLU 135 N -0.0081 -0.0083 0.0045 2059 GLU 135 H -0.0075 -0.0076 0.0043 2060 GLU 135 CA -0.0093 -0.0086 0.0030 2061 GLU 135 HA -0.0103 -0.0098 0.0034 2062 GLU 135 CB -0.0099 -0.0082 0.0012 2063 GLU 135 HB1 -0.0097 -0.0083 0.0019 2064 GLU 135 HB2 -0.0094 -0.0070 0.0002 2065 GLU 135 CG -0.0117 -0.0094 0.0003 2066 GLU 135 HG1 -0.0121 -0.0089 -0.0012 2067 GLU 135 HG2 -0.0123 -0.0103 0.0008 2068 GLU 135 CD -0.0126 -0.0105 0.0007 2069 GLU 135 OE1 -0.0140 -0.0112 -0.0004 2070 GLU 135 OE2 -0.0121 -0.0109 0.0022 2071 GLU 135 C -0.0086 -0.0076 0.0024 2072 GLU 135 O -0.0094 -0.0077 0.0014 2073 ALA 136 N -0.0071 -0.0065 0.0033 2074 ALA 136 H -0.0067 -0.0067 0.0042 2075 ALA 136 CA -0.0061 -0.0052 0.0027 2076 ALA 136 HA -0.0064 -0.0047 0.0011 2077 ALA 136 CB -0.0043 -0.0040 0.0035 2078 ALA 136 HB1 -0.0041 -0.0036 0.0032 2079 ALA 136 HB2 -0.0038 -0.0043 0.0050 2080 ALA 136 HB3 -0.0036 -0.0030 0.0030 2081 ALA 136 C -0.0063 -0.0057 0.0031 2082 ALA 136 O -0.0060 -0.0048 0.0021 2083 VAL 137 N -0.0068 -0.0068 0.0043 2084 VAL 137 H -0.0071 -0.0074 0.0048 2085 VAL 137 CA -0.0073 -0.0075 0.0047 2086 VAL 137 HA -0.0065 -0.0068 0.0049 2087 VAL 137 CB -0.0075 -0.0088 0.0065 2088 VAL 137 HB -0.0076 -0.0090 0.0069 2089 VAL 137 CG1 -0.0064 -0.0084 0.0079 2090 VAL 137 HG11 -0.0054 -0.0076 0.0082 2091 VAL 137 HG12 -0.0061 -0.0080 0.0076 2092 VAL 137 HG13 -0.0066 -0.0093 0.0091 2093 VAL 137 CG2 -0.0089 -0.0101 0.0064 2094 VAL 137 HG21 -0.0090 -0.0109 0.0076 2095 VAL 137 HG22 -0.0090 -0.0098 0.0057 2096 VAL 137 HG23 -0.0098 -0.0105 0.0057 2097 VAL 137 C -0.0084 -0.0078 0.0032 2098 VAL 137 O -0.0086 -0.0080 0.0031 2099 ARG 138 N -0.0093 -0.0080 0.0021 2100 ARG 138 H -0.0091 -0.0080 0.0024 2101 ARG 138 CA -0.0103 -0.0082 0.0006 2102 ARG 138 HA -0.0107 -0.0086 0.0006 2103 ARG 138 CB -0.0116 -0.0093 0.0002 2104 ARG 138 HB1 -0.0113 -0.0089 0.0001 2105 ARG 138 HB2 -0.0125 -0.0095 -0.0009 2106 ARG 138 CG -0.0123 -0.0107 0.0017 2107 ARG 138 HG1 -0.0130 -0.0114 0.0014 2108 ARG 138 HG2 -0.0114 -0.0106 0.0029 2109 ARG 138 CD -0.0130 -0.0115 0.0019 2110 ARG 138 HD1 -0.0123 -0.0109 0.0019 2111 ARG 138 HD2 -0.0139 -0.0118 0.0007 2112 ARG 138 NE -0.0133 -0.0127 0.0033 2113 ARG 138 HE -0.0128 -0.0128 0.0043 2114 ARG 138 CZ -0.0144 -0.0138 0.0035 2115 ARG 138 NH1 -0.0151 -0.0139 0.0023 2116 ARG 138 HH11 -0.0148 -0.0131 0.0014 2117 ARG 138 HH12 -0.0160 -0.0149 0.0025 2118 ARG 138 NH2 -0.0146 -0.0149 0.0049 2119 ARG 138 HH21 -0.0141 -0.0147 0.0056 2120 ARG 138 HH22 -0.0155 -0.0158 0.0048 2121 ARG 138 C -0.0097 -0.0068 -0.0009 2122 ARG 138 O -0.0105 -0.0067 -0.0023 2123 GLU 139 N -0.0087 -0.0050 -0.0007 2124 GLU 139 H -0.0081 -0.0051 0.0004 2125 GLU 139 CA -0.0079 -0.0039 -0.0019 2126 GLU 139 HA -0.0085 -0.0038 -0.0031 2127 GLU 139 CB -0.0072 -0.0033 -0.0019 2128 GLU 139 HB1 -0.0077 -0.0039 -0.0014 2129 GLU 139 HB2 -0.0061 -0.0028 -0.0012 2130 GLU 139 CG -0.0070 -0.0024 -0.0036 2131 GLU 139 HG1 -0.0060 -0.0017 -0.0034 2132 GLU 139 HG2 -0.0069 -0.0020 -0.0043 2133 GLU 139 CD -0.0084 -0.0030 -0.0046 2134 GLU 139 OE1 -0.0085 -0.0024 -0.0060 2135 GLU 139 OE2 -0.0092 -0.0039 -0.0039 2136 GLU 139 C -0.0067 -0.0031 -0.0015 2137 GLU 139 O -0.0056 -0.0021 -0.0018 2138 VAL 140 N -0.0071 -0.0037 -0.0011 2139 VAL 140 H -0.0082 -0.0044 -0.0013 2140 VAL 140 CA -0.0064 -0.0033 -0.0006 2141 VAL 140 HA -0.0056 -0.0032 0.0005 2142 VAL 140 CB -0.0074 -0.0041 -0.0004 2143 VAL 140 HB -0.0067 -0.0039 0.0003 2144 VAL 140 CG1 -0.0083 -0.0054 0.0006 2145 VAL 140 HG11 -0.0092 -0.0058 0.0000 2146 VAL 140 HG12 -0.0088 -0.0059 0.0010 2147 VAL 140 HG13 -0.0077 -0.0054 0.0017 2148 VAL 140 CG2 -0.0083 -0.0041 -0.0020 2149 VAL 140 HG21 -0.0089 -0.0047 -0.0018 2150 VAL 140 HG22 -0.0090 -0.0043 -0.0028 2151 VAL 140 HG23 -0.0076 -0.0032 -0.0027 2152 VAL 140 C -0.0055 -0.0021 -0.0017 2153 VAL 140 O -0.0045 -0.0016 -0.0011 2154 HIS 141 N -0.0059 -0.0016 -0.0032 2155 HIS 141 H -0.0064 -0.0019 -0.0034 2156 HIS 141 CA -0.0056 -0.0004 -0.0042 2157 HIS 141 HA -0.0059 -0.0005 -0.0045 2158 HIS 141 CB -0.0065 -0.0002 -0.0054 2159 HIS 141 HB1 -0.0063 -0.0001 -0.0053 2160 HIS 141 HB2 -0.0063 0.0007 -0.0062 2161 HIS 141 CG -0.0079 -0.0012 -0.0058 2162 HIS 141 ND1 -0.0083 -0.0022 -0.0051 2163 HIS 141 CD2 -0.0088 -0.0012 -0.0068 2164 HIS 141 HD2 -0.0089 -0.0006 -0.0076 2165 HIS 141 CE1 -0.0094 -0.0029 -0.0055 2166 HIS 141 HE1 -0.0101 -0.0038 -0.0052 2167 HIS 141 NE2 -0.0098 -0.0023 -0.0065 2168 HIS 141 HE2 -0.0107 -0.0026 -0.0072 2169 HIS 141 C -0.0042 0.0006 -0.0039 2170 HIS 141 O -0.0038 0.0016 -0.0046 2171 ARG 142 N -0.0036 0.0004 -0.0029 2172 ARG 142 H -0.0041 -0.0005 -0.0025 2173 ARG 142 CA -0.0021 0.0012 -0.0023 2174 ARG 142 HA -0.0018 0.0021 -0.0030 2175 ARG 142 CB -0.0018 0.0008 -0.0015 2176 ARG 142 HB1 -0.0022 -0.0002 -0.0008 2177 ARG 142 HB2 -0.0008 0.0013 -0.0010 2178 ARG 142 CG -0.0021 0.0011 -0.0022 2179 ARG 142 HG1 -0.0015 0.0021 -0.0027 2180 ARG 142 HG2 -0.0030 0.0010 -0.0030 2181 ARG 142 CD -0.0019 0.0006 -0.0014 2182 ARG 142 HD1 -0.0023 0.0008 -0.0021 2183 ARG 142 HD2 -0.0024 -0.0004 -0.0008 2184 ARG 142 NE -0.0006 0.0013 -0.0008 2185 ARG 142 HE -0.0001 0.0020 -0.0010 2186 ARG 142 CZ -0.0000 0.0012 -0.0000 2187 ARG 142 NH1 -0.0006 0.0004 0.0002 2188 ARG 142 HH11 -0.0015 0.0001 -0.0004 2189 ARG 142 HH12 -0.0003 0.0003 0.0007 2190 ARG 142 NH2 0.0012 0.0017 0.0007 2191 ARG 142 HH21 0.0018 0.0023 0.0006 2192 ARG 142 HH22 0.0016 0.0018 0.0011 2193 ARG 142 C -0.0014 0.0012 -0.0015 2194 ARG 142 O -0.0003 0.0017 -0.0010 2195 LEU 143 N -0.0020 0.0004 -0.0010 2196 LEU 143 H -0.0029 -0.0001 -0.0014 2197 LEU 143 CA -0.0014 0.0005 -0.0001 2198 LEU 143 HA -0.0005 0.0010 0.0003 2199 LEU 143 CB -0.0020 -0.0006 0.0011 2200 LEU 143 HB1 -0.0029 -0.0012 0.0007 2201 LEU 143 HB2 -0.0015 -0.0005 0.0017 2202 LEU 143 CG -0.0017 -0.0009 0.0021 2203 LEU 143 HG -0.0011 -0.0003 0.0020 2204 LEU 143 CD1 -0.0028 -0.0018 0.0020 2205 LEU 143 HD11 -0.0035 -0.0024 0.0022 2206 LEU 143 HD12 -0.0027 -0.0020 0.0028 2207 LEU 143 HD13 -0.0032 -0.0016 0.0011 2208 LEU 143 CD2 -0.0013 -0.0012 0.0036 2209 LEU 143 HD21 -0.0011 -0.0014 0.0043 2210 LEU 143 HD22 -0.0019 -0.0019 0.0038 2211 LEU 143 HD23 -0.0005 -0.0006 0.0038 2212 LEU 143 C -0.0014 0.0009 -0.0008 2213 LEU 143 O -0.0010 0.0009 -0.0002 2214 ILE 144 N -0.0018 0.0012 -0.0022 2215 ILE 144 H -0.0018 0.0013 -0.0026 2216 ILE 144 CA -0.0017 0.0016 -0.0029 2217 ILE 144 HA -0.0011 0.0018 -0.0023 2218 ILE 144 CB -0.0028 0.0010 -0.0036 2219 ILE 144 HB -0.0028 0.0015 -0.0046 2220 ILE 144 CG1 -0.0039 0.0003 -0.0041 2221 ILE 144 HG11 -0.0040 -0.0002 -0.0032 2222 ILE 144 HG12 -0.0037 0.0008 -0.0048 2223 ILE 144 CG2 -0.0031 0.0003 -0.0026 2224 ILE 144 HG21 -0.0023 0.0008 -0.0024 2225 ILE 144 HG22 -0.0031 -0.0002 -0.0017 2226 ILE 144 HG23 -0.0038 -0.0001 -0.0031 2227 ILE 144 CD -0.0051 -0.0003 -0.0049 2228 ILE 144 HD1 -0.0058 -0.0007 -0.0053 2229 ILE 144 HD2 -0.0049 0.0003 -0.0058 2230 ILE 144 HD3 -0.0053 -0.0008 -0.0043 2231 ILE 144 C -0.0011 0.0027 -0.0040 2232 ILE 144 O -0.0010 0.0029 -0.0043 2233 GLU 145 N -0.0003 0.0039 -0.0049 2234 GLU 145 H -0.0002 0.0037 -0.0044 2235 GLU 145 CA 0.0003 0.0045 -0.0057 2236 GLU 145 HA -0.0001 0.0047 -0.0064 2237 GLU 145 CB 0.0015 0.0047 -0.0055 2238 GLU 145 HB1 0.0016 0.0045 -0.0050 2239 GLU 145 HB2 0.0019 0.0046 -0.0050 2240 GLU 145 CG 0.0020 0.0053 -0.0064 2241 GLU 145 HG1 0.0020 0.0055 -0.0069 2242 GLU 145 HG2 0.0016 0.0054 -0.0070 2243 GLU 145 CD 0.0032 0.0055 -0.0063 2244 GLU 145 OE1 0.0034 0.0056 -0.0063 2245 GLU 145 OE2 0.0039 0.0056 -0.0060 2246 GLU 145 C 0.0001 0.0045 -0.0059 2247 GLU 145 O 0.0001 0.0041 -0.0051 2248 GLY 146 N -0.0001 0.0049 -0.0068 2249 GLY 146 H -0.0000 0.0052 -0.0074 2250 GLY 146 CA -0.0005 0.0049 -0.0072 2251 GLY 146 HA1 -0.0007 0.0046 -0.0065 2252 GLY 146 HA2 -0.0012 0.0050 -0.0077 2253 GLY 146 C 0.0003 0.0054 -0.0077 2254 GLY 146 O 0.0003 0.0058 -0.0087 2255 LYS 147 N 0.0012 0.0061 -0.0074 2256 LYS 147 H 0.0011 0.0058 -0.0071 2257 LYS 147 CA 0.0015 0.0064 -0.0075 2258 LYS 147 HA 0.0014 0.0067 -0.0079 2259 LYS 147 CB 0.0022 0.0065 -0.0074 2260 LYS 147 HB1 0.0023 0.0068 -0.0076 2261 LYS 147 HB2 0.0023 0.0067 -0.0075 2262 LYS 147 CG 0.0025 0.0062 -0.0069 2263 LYS 147 HG1 0.0024 0.0059 -0.0067 2264 LYS 147 HG2 0.0024 0.0060 -0.0068 2265 LYS 147 CD 0.0031 0.0064 -0.0069 2266 LYS 147 HD1 0.0033 0.0067 -0.0071 2267 LYS 147 HD2 0.0032 0.0066 -0.0070 2268 LYS 147 CE 0.0036 0.0061 -0.0065 2269 LYS 147 HE1 0.0035 0.0059 -0.0063 2270 LYS 147 HE2 0.0040 0.0064 -0.0065 2271 LYS 147 NZ 0.0036 0.0059 -0.0062 2272 LYS 147 HZ1 0.0035 0.0061 -0.0064 2273 LYS 147 HZ2 0.0033 0.0056 -0.0061 2274 LYS 147 HZ3 0.0039 0.0058 -0.0060 2275 LYS 147 C 0.0014 0.0061 -0.0073 2276 LYS 147 O 0.0012 0.0057 -0.0070 2277 ALA 148 N 0.0015 0.0064 -0.0075 2278 ALA 148 H 0.0017 0.0067 -0.0078 2279 ALA 148 CA 0.0013 0.0063 -0.0075 2280 ALA 148 HA 0.0009 0.0060 -0.0075 2281 ALA 148 CB 0.0012 0.0067 -0.0079 2282 ALA 148 HB1 0.0010 0.0066 -0.0080 2283 ALA 148 HB2 0.0010 0.0069 -0.0082 2284 ALA 148 HB3 0.0016 0.0070 -0.0080 2285 ALA 148 C 0.0018 0.0061 -0.0072 2286 ALA 148 O 0.0022 0.0064 -0.0072 2287 PRO 149 N 0.0005 0.0065 -0.0081 2288 PRO 149 CA 0.0005 0.0063 -0.0081 2289 PRO 149 HA 0.0005 0.0063 -0.0083 2290 PRO 149 CB 0.0005 0.0064 -0.0082 2291 PRO 149 HB1 0.0005 0.0063 -0.0082 2292 PRO 149 HB2 0.0005 0.0064 -0.0083 2293 PRO 149 CG 0.0006 0.0065 -0.0080 2294 PRO 149 HG1 0.0005 0.0065 -0.0079 2295 PRO 149 HG2 0.0006 0.0066 -0.0081 2296 PRO 149 CD 0.0006 0.0066 -0.0080 2297 PRO 149 HD1 0.0006 0.0067 -0.0079 2298 PRO 149 HD2 0.0006 0.0067 -0.0081 2299 PRO 149 C 0.0004 0.0062 -0.0080 2300 PRO 149 O 0.0004 0.0062 -0.0079 2301 ILE 150 N 0.0004 0.0060 -0.0081 2302 ILE 150 H 0.0004 0.0060 -0.0082 2303 ILE 150 CA 0.0003 0.0059 -0.0080 2304 ILE 150 HA 0.0003 0.0059 -0.0079 2305 ILE 150 CB 0.0003 0.0057 -0.0081 2306 ILE 150 HB 0.0003 0.0057 -0.0082 2307 ILE 150 CG1 0.0003 0.0057 -0.0082 2308 ILE 150 HG11 0.0003 0.0057 -0.0081 2309 ILE 150 HG12 0.0003 0.0059 -0.0083 2310 ILE 150 CG2 0.0003 0.0056 -0.0080 2311 ILE 150 HG21 0.0003 0.0056 -0.0079 2312 ILE 150 HG22 0.0002 0.0055 -0.0080 2313 ILE 150 HG23 0.0002 0.0055 -0.0079 2314 ILE 150 CD 0.0003 0.0056 -0.0084 2315 ILE 150 HD1 0.0002 0.0055 -0.0083 2316 ILE 150 HD2 0.0003 0.0056 -0.0084 2317 ILE 150 HD3 0.0003 0.0056 -0.0084 2318 ILE 150 C 0.0003 0.0058 -0.0079 2319 ILE 150 O 0.0003 0.0057 -0.0080 2320 ILE 151 N 0.0004 0.0066 -0.0074 2321 ILE 151 H 0.0003 0.0065 -0.0076 2322 ILE 151 CA 0.0004 0.0066 -0.0072 2323 ILE 151 HA 0.0006 0.0066 -0.0072 2324 ILE 151 CB 0.0003 0.0065 -0.0070 2325 ILE 151 HB 0.0003 0.0065 -0.0069 2326 ILE 151 CG1 0.0003 0.0065 -0.0068 2327 ILE 151 HG11 0.0002 0.0065 -0.0070 2328 ILE 151 HG12 0.0005 0.0065 -0.0068 2329 ILE 151 CG2 -0.0000 0.0064 -0.0070 2330 ILE 151 HG21 -0.0001 0.0064 -0.0069 2331 ILE 151 HG22 -0.0001 0.0064 -0.0072 2332 ILE 151 HG23 -0.0001 0.0064 -0.0072 2333 ILE 151 CD 0.0002 0.0064 -0.0066 2334 ILE 151 HD1 0.0002 0.0064 -0.0065 2335 ILE 151 HD2 0.0003 0.0065 -0.0065 2336 ILE 151 HD3 -0.0000 0.0064 -0.0066 2337 ILE 151 C 0.0004 0.0066 -0.0075 2338 ILE 151 O 0.0002 0.0065 -0.0077 2339 SER 152 N 0.0005 0.0066 -0.0074 2340 SER 152 H 0.0006 0.0066 -0.0072 2341 SER 152 CA 0.0005 0.0066 -0.0076 2342 SER 152 HA 0.0005 0.0066 -0.0078 2343 SER 152 CB 0.0007 0.0066 -0.0075 2344 SER 152 HB1 0.0009 0.0067 -0.0075 2345 SER 152 HB2 0.0007 0.0066 -0.0073 2346 SER 152 OG 0.0007 0.0067 -0.0077 2347 SER 152 HG 0.0007 0.0067 -0.0078 2348 SER 152 C 0.0002 0.0065 -0.0076 2349 SER 152 O 0.0001 0.0065 -0.0073 2350 GLY 153 N 0.0005 0.0062 -0.0081 2351 GLY 153 H 0.0005 0.0063 -0.0082 2352 GLY 153 CA 0.0004 0.0061 -0.0082 2353 GLY 153 HA1 0.0004 0.0061 -0.0083 2354 GLY 153 HA2 0.0003 0.0060 -0.0081 2355 GLY 153 C 0.0003 0.0060 -0.0082 2356 GLY 153 O 0.0002 0.0059 -0.0083 2357 VAL 154 N 0.0003 0.0060 -0.0081 2358 VAL 154 H 0.0004 0.0062 -0.0081 2359 VAL 154 CA 0.0003 0.0060 -0.0081 2360 VAL 154 HA 0.0002 0.0059 -0.0082 2361 VAL 154 CB 0.0002 0.0059 -0.0079 2362 VAL 154 HB 0.0002 0.0058 -0.0079 2363 VAL 154 CG1 0.0003 0.0059 -0.0077 2364 VAL 154 HG11 0.0004 0.0060 -0.0077 2365 VAL 154 HG12 0.0004 0.0061 -0.0077 2366 VAL 154 HG13 0.0003 0.0059 -0.0076 2367 VAL 154 CG2 0.0002 0.0057 -0.0078 2368 VAL 154 HG21 0.0001 0.0057 -0.0080 2369 VAL 154 HG22 0.0001 0.0057 -0.0077 2370 VAL 154 HG23 0.0002 0.0058 -0.0078 2371 VAL 154 C 0.0003 0.0061 -0.0081 2372 VAL 154 O 0.0003 0.0060 -0.0082 2373 THR 155 N 0.0012 0.0064 -0.0084 2374 THR 155 H 0.0012 0.0065 -0.0086 2375 THR 155 CA 0.0010 0.0061 -0.0082 2376 THR 155 HA 0.0011 0.0060 -0.0080 2377 THR 155 CB 0.0006 0.0061 -0.0084 2378 THR 155 HB 0.0004 0.0062 -0.0086 2379 THR 155 OG1 0.0007 0.0062 -0.0085 2380 THR 155 HG1 0.0008 0.0064 -0.0086 2381 THR 155 CG2 0.0003 0.0059 -0.0081 2382 THR 155 HG21 0.0000 0.0059 -0.0083 2383 THR 155 HG22 0.0002 0.0058 -0.0080 2384 THR 155 HG23 0.0003 0.0058 -0.0080 2385 THR 155 C 0.0009 0.0061 -0.0082 2386 THR 155 O 0.0009 0.0062 -0.0084 2387 LYS 156 N 0.0008 0.0059 -0.0079 2388 LYS 156 H 0.0008 0.0057 -0.0077 2389 LYS 156 CA 0.0007 0.0058 -0.0078 2390 LYS 156 HA 0.0006 0.0059 -0.0080 2391 LYS 156 CB 0.0010 0.0057 -0.0076 2392 LYS 156 HB1 0.0009 0.0057 -0.0075 2393 LYS 156 HB2 0.0012 0.0059 -0.0077 2394 LYS 156 CG 0.0012 0.0055 -0.0072 2395 LYS 156 HG1 0.0012 0.0056 -0.0073 2396 LYS 156 HG2 0.0010 0.0054 -0.0071 2397 LYS 156 CD 0.0016 0.0055 -0.0071 2398 LYS 156 HD1 0.0015 0.0055 -0.0070 2399 LYS 156 HD2 0.0018 0.0057 -0.0072 2400 LYS 156 CE 0.0017 0.0053 -0.0067 2401 LYS 156 HE1 0.0017 0.0054 -0.0068 2402 LYS 156 HE2 0.0015 0.0052 -0.0066 2403 LYS 156 NZ 0.0021 0.0054 -0.0066 2404 LYS 156 HZ1 0.0023 0.0055 -0.0067 2405 LYS 156 HZ2 0.0022 0.0052 -0.0063 2406 LYS 156 HZ3 0.0021 0.0053 -0.0065 2407 LYS 156 C 0.0003 0.0056 -0.0076 2408 LYS 156 O 0.0003 0.0054 -0.0074 2409 ALA 157 N -0.0006 0.0053 -0.0083 2410 ALA 157 H -0.0006 0.0054 -0.0086 2411 ALA 157 CA -0.0013 0.0050 -0.0080 2412 ALA 157 HA -0.0013 0.0049 -0.0078 2413 ALA 157 CB -0.0020 0.0050 -0.0086 2414 ALA 157 HB1 -0.0020 0.0051 -0.0087 2415 ALA 157 HB2 -0.0026 0.0048 -0.0084 2416 ALA 157 HB3 -0.0020 0.0052 -0.0091 2417 ALA 157 C -0.0014 0.0047 -0.0073 2418 ALA 157 O -0.0013 0.0048 -0.0074 2419 ILE 158 N -0.0015 0.0045 -0.0066 2420 ILE 158 H -0.0017 0.0044 -0.0066 2421 ILE 158 CA -0.0017 0.0042 -0.0059 2422 ILE 158 HA -0.0016 0.0042 -0.0059 2423 ILE 158 CB -0.0012 0.0041 -0.0052 2424 ILE 158 HB -0.0012 0.0039 -0.0048 2425 ILE 158 CG1 -0.0015 0.0038 -0.0048 2426 ILE 158 HG11 -0.0014 0.0040 -0.0053 2427 ILE 158 HG12 -0.0022 0.0036 -0.0047 2428 ILE 158 CG2 -0.0004 0.0043 -0.0054 2429 ILE 158 HG21 -0.0003 0.0045 -0.0057 2430 ILE 158 HG22 -0.0000 0.0043 -0.0048 2431 ILE 158 HG23 -0.0001 0.0045 -0.0057 2432 ILE 158 CD -0.0011 0.0037 -0.0041 2433 ILE 158 HD1 -0.0011 0.0036 -0.0037 2434 ILE 158 HD2 -0.0005 0.0039 -0.0042 2435 ILE 158 HD3 -0.0014 0.0035 -0.0039 2436 ILE 158 C -0.0026 0.0039 -0.0059 2437 ILE 158 O -0.0030 0.0039 -0.0062 2438 SER 159 N -0.0041 0.0036 -0.0058 2439 SER 159 H -0.0031 0.0037 -0.0053 2440 SER 159 CA -0.0058 0.0030 -0.0054 2441 SER 159 HA -0.0068 0.0032 -0.0064 2442 SER 159 CB -0.0056 0.0026 -0.0044 2443 SER 159 HB1 -0.0065 0.0019 -0.0037 2444 SER 159 HB2 -0.0054 0.0030 -0.0052 2445 SER 159 OG -0.0040 0.0025 -0.0034 2446 SER 159 HG -0.0040 0.0021 -0.0027 2447 SER 159 C -0.0063 0.0023 -0.0044 2448 SER 159 O -0.0053 0.0021 -0.0034 2449 SER 160 N -0.0077 0.0022 -0.0049 2450 SER 160 H -0.0085 0.0024 -0.0058 2451 SER 160 CA -0.0082 0.0018 -0.0045 2452 SER 160 HA -0.0073 0.0024 -0.0050 2453 SER 160 CB -0.0099 0.0018 -0.0053 2454 SER 160 HB1 -0.0108 0.0014 -0.0051 2455 SER 160 HB2 -0.0104 0.0015 -0.0051 2456 SER 160 OG -0.0098 0.0026 -0.0069 2457 SER 160 HG -0.0092 0.0028 -0.0069 2458 SER 160 C -0.0082 0.0010 -0.0027 2459 SER 160 O -0.0093 0.0004 -0.0021 2460 PRO 161 N -0.0096 0.0002 -0.0027 2461 PRO 161 CA -0.0098 -0.0009 -0.0000 2462 PRO 161 HA -0.0102 -0.0015 0.0013 2463 PRO 161 CB -0.0070 -0.0002 0.0010 2464 PRO 161 HB1 -0.0071 -0.0009 0.0026 2465 PRO 161 HB2 -0.0058 -0.0001 0.0017 2466 PRO 161 CG -0.0060 0.0012 -0.0016 2467 PRO 161 HG1 -0.0067 0.0010 -0.0018 2468 PRO 161 HG2 -0.0038 0.0020 -0.0016 2469 PRO 161 CD -0.0071 0.0016 -0.0037 2470 PRO 161 HD1 -0.0073 0.0023 -0.0057 2471 PRO 161 HD2 -0.0057 0.0022 -0.0038 2472 PRO 161 C -0.0119 -0.0017 0.0000 2473 PRO 161 O -0.0127 -0.0012 -0.0020 2474 THR 162 N -0.0127 -0.0030 0.0024 2475 THR 162 H -0.0118 -0.0032 0.0039 2476 THR 162 CA -0.0145 -0.0038 0.0028 2477 THR 162 HA -0.0160 -0.0037 0.0010 2478 THR 162 CB -0.0161 -0.0053 0.0051 2479 THR 162 HB -0.0176 -0.0060 0.0054 2480 THR 162 OG1 -0.0145 -0.0058 0.0077 2481 THR 162 HG1 -0.0132 -0.0051 0.0075 2482 THR 162 CG2 -0.0177 -0.0057 0.0044 2483 THR 162 HG21 -0.0195 -0.0057 0.0028 2484 THR 162 HG22 -0.0166 -0.0048 0.0034 2485 THR 162 HG23 -0.0184 -0.0066 0.0061 2486 THR 162 C -0.0128 -0.0035 0.0035 2487 THR 162 O -0.0116 -0.0038 0.0056 2488 VAL 163 N -0.0112 -0.0020 0.0010 2489 VAL 163 H -0.0118 -0.0021 -0.0004 2490 VAL 163 CA -0.0096 -0.0014 0.0010 2491 VAL 163 HA -0.0094 -0.0015 0.0027 2492 VAL 163 CB -0.0075 -0.0005 0.0005 2493 VAL 163 HB -0.0074 -0.0003 -0.0012 2494 VAL 163 CG1 -0.0058 0.0001 0.0007 2495 VAL 163 HG11 -0.0055 0.0000 0.0023 2496 VAL 163 HG12 -0.0045 0.0007 -0.0000 2497 VAL 163 HG13 -0.0060 0.0001 -0.0003 2498 VAL 163 CG2 -0.0071 -0.0005 0.0016 2499 VAL 163 HG21 -0.0066 -0.0004 0.0033 2500 VAL 163 HG22 -0.0082 -0.0009 0.0015 2501 VAL 163 HG23 -0.0059 0.0001 0.0008 2502 VAL 163 C -0.0104 -0.0016 -0.0002 2503 VAL 163 O -0.0118 -0.0020 -0.0016 2504 SER 164 N -0.0098 -0.0014 0.0003 2505 SER 164 H -0.0090 -0.0012 0.0017 2506 SER 164 CA -0.0104 -0.0015 -0.0009 2507 SER 164 HA -0.0120 -0.0021 -0.0013 2508 SER 164 CB -0.0101 -0.0016 0.0007 2509 SER 164 HB1 -0.0086 -0.0010 0.0013 2510 SER 164 HB2 -0.0106 -0.0017 0.0002 2511 SER 164 OG -0.0112 -0.0022 0.0026 2512 SER 164 HG -0.0103 -0.0018 0.0032 2513 SER 164 C -0.0093 -0.0009 -0.0030 2514 SER 164 O -0.0083 -0.0005 -0.0038 2515 ARG 165 N -0.0056 -0.0002 -0.0045 2516 ARG 165 H -0.0056 -0.0002 -0.0044 2517 ARG 165 CA -0.0049 -0.0005 -0.0058 2518 ARG 165 HA -0.0054 -0.0013 -0.0062 2519 ARG 165 CB -0.0045 -0.0008 -0.0066 2520 ARG 165 HB1 -0.0051 -0.0013 -0.0065 2521 ARG 165 HB2 -0.0040 -0.0000 -0.0061 2522 ARG 165 CG -0.0037 -0.0011 -0.0080 2523 ARG 165 HG1 -0.0029 -0.0004 -0.0080 2524 ARG 165 HG2 -0.0042 -0.0018 -0.0083 2525 ARG 165 CD -0.0034 -0.0015 -0.0088 2526 ARG 165 HD1 -0.0034 -0.0021 -0.0097 2527 ARG 165 HD2 -0.0039 -0.0017 -0.0084 2528 ARG 165 NE -0.0021 -0.0007 -0.0092 2529 ARG 165 HE -0.0020 -0.0000 -0.0085 2530 ARG 165 CZ -0.0014 -0.0008 -0.0103 2531 ARG 165 NH1 -0.0017 -0.0018 -0.0113 2532 ARG 165 HH11 -0.0025 -0.0024 -0.0111 2533 ARG 165 HH12 -0.0012 -0.0020 -0.0121 2534 ARG 165 NH2 -0.0004 -0.0000 -0.0105 2535 ARG 165 HH21 -0.0002 0.0007 -0.0097 2536 ARG 165 HH22 0.0003 -0.0001 -0.0113 2537 ARG 165 C -0.0038 0.0004 -0.0059 2538 ARG 165 O -0.0034 0.0001 -0.0067 2539 LEU 166 N -0.0035 0.0013 -0.0050 2540 LEU 166 H -0.0040 0.0014 -0.0043 2541 LEU 166 CA -0.0026 0.0023 -0.0048 2542 LEU 166 HA -0.0025 0.0020 -0.0052 2543 LEU 166 CB -0.0016 0.0030 -0.0050 2544 LEU 166 HB1 -0.0018 0.0033 -0.0043 2545 LEU 166 HB2 -0.0010 0.0038 -0.0047 2546 LEU 166 CG -0.0009 0.0026 -0.0064 2547 LEU 166 HG -0.0014 0.0019 -0.0066 2548 LEU 166 CD1 -0.0000 0.0035 -0.0063 2549 LEU 166 HD11 0.0003 0.0031 -0.0071 2550 LEU 166 HD12 -0.0004 0.0036 -0.0056 2551 LEU 166 HD13 0.0007 0.0042 -0.0061 2552 LEU 166 CD2 -0.0004 0.0023 -0.0074 2553 LEU 166 HD21 0.0000 0.0019 -0.0084 2554 LEU 166 HD22 0.0001 0.0029 -0.0073 2555 LEU 166 HD23 -0.0012 0.0016 -0.0074 2556 LEU 166 C -0.0031 0.0029 -0.0034 2557 LEU 166 O -0.0039 0.0028 -0.0026 2558 THR 167 N -0.0027 0.0029 -0.0035 2559 THR 167 H -0.0023 0.0035 -0.0047 2560 THR 167 CA -0.0017 0.0030 -0.0019 2561 THR 167 HA -0.0023 0.0023 -0.0007 2562 THR 167 CB -0.0006 0.0039 -0.0024 2563 THR 167 HB 0.0002 0.0041 -0.0013 2564 THR 167 OG1 0.0004 0.0049 -0.0038 2565 THR 167 HG1 0.0009 0.0052 -0.0037 2566 THR 167 CG2 -0.0017 0.0034 -0.0029 2567 THR 167 HG21 -0.0021 0.0028 -0.0018 2568 THR 167 HG22 -0.0027 0.0030 -0.0039 2569 THR 167 HG23 -0.0010 0.0040 -0.0036 2570 THR 167 C -0.0007 0.0035 -0.0014 2571 THR 167 O 0.0005 0.0045 -0.0022 2572 ASP 168 N -0.0012 0.0029 -0.0001 2573 ASP 168 H -0.0022 0.0021 0.0004 2574 ASP 168 CA -0.0005 0.0032 0.0004 2575 ASP 168 HA -0.0002 0.0037 -0.0007 2576 ASP 168 CB -0.0015 0.0022 0.0015 2577 ASP 168 HB1 -0.0027 0.0017 0.0009 2578 ASP 168 HB2 -0.0015 0.0019 0.0029 2579 ASP 168 CG -0.0010 0.0024 0.0018 2580 ASP 168 OD1 -0.0016 0.0024 0.0007 2581 ASP 168 OD2 -0.0000 0.0027 0.0032 2582 ASP 168 C 0.0011 0.0039 0.0015 2583 ASP 168 O 0.0012 0.0036 0.0027 2584 THR 169 N 0.0019 0.0046 0.0014 2585 THR 169 H 0.0016 0.0046 0.0005 2586 THR 169 CA 0.0038 0.0057 0.0026 2587 THR 169 HA 0.0044 0.0061 0.0026 2588 THR 169 CB 0.0048 0.0069 0.0011 2589 THR 169 HB 0.0060 0.0075 0.0021 2590 THR 169 OG1 0.0036 0.0062 0.0004 2591 THR 169 HG1 0.0041 0.0063 0.0014 2592 THR 169 CG2 0.0052 0.0078 -0.0010 2593 THR 169 HG21 0.0059 0.0087 -0.0019 2594 THR 169 HG22 0.0062 0.0085 -0.0006 2595 THR 169 HG23 0.0039 0.0072 -0.0020 2596 THR 169 C 0.0040 0.0051 0.0050 2597 THR 169 O 0.0055 0.0059 0.0061 2598 THR 170 N 0.0026 0.0038 0.0057 2599 THR 170 H 0.0014 0.0032 0.0046 2600 THR 170 CA 0.0025 0.0030 0.0081 2601 THR 170 HA 0.0039 0.0038 0.0089 2602 THR 170 CB 0.0012 0.0019 0.0083 2603 THR 170 HB 0.0013 0.0014 0.0101 2604 THR 170 OG1 -0.0007 0.0008 0.0075 2605 THR 170 HG1 -0.0007 0.0012 0.0059 2606 THR 170 CG2 0.0016 0.0025 0.0073 2607 THR 170 HG21 0.0006 0.0018 0.0072 2608 THR 170 HG22 0.0029 0.0033 0.0082 2609 THR 170 HG23 0.0018 0.0032 0.0056 2610 THR 170 C 0.0020 0.0022 0.0093 2611 THR 170 O 0.0025 0.0020 0.0113 2612 LYS 171 N 0.0012 0.0015 0.0087 2613 LYS 171 H 0.0005 0.0017 0.0070 2614 LYS 171 CA 0.0007 0.0008 0.0095 2615 LYS 171 HA 0.0007 0.0001 0.0114 2616 LYS 171 CB -0.0015 -0.0001 0.0084 2617 LYS 171 HB1 -0.0017 0.0005 0.0066 2618 LYS 171 HB2 -0.0017 -0.0005 0.0092 2619 LYS 171 CG -0.0032 -0.0012 0.0086 2620 LYS 171 HG1 -0.0031 -0.0019 0.0103 2621 LYS 171 HG2 -0.0028 -0.0006 0.0076 2622 LYS 171 CD -0.0054 -0.0022 0.0078 2623 LYS 171 HD1 -0.0058 -0.0017 0.0059 2624 LYS 171 HD2 -0.0055 -0.0027 0.0087 2625 LYS 171 CE -0.0068 -0.0034 0.0083 2626 LYS 171 HE1 -0.0069 -0.0041 0.0102 2627 LYS 171 HE2 -0.0062 -0.0028 0.0079 2628 LYS 171 NZ -0.0090 -0.0042 0.0071 2629 LYS 171 HZ1 -0.0100 -0.0052 0.0081 2630 LYS 171 HZ2 -0.0092 -0.0038 0.0057 2631 LYS 171 HZ3 -0.0092 -0.0041 0.0064 2632 LYS 171 C 0.0021 0.0020 0.0088 2633 LYS 171 O 0.0026 0.0018 0.0100 2634 PHE 172 N 0.0026 0.0031 0.0066 2635 PHE 172 H 0.0022 0.0032 0.0058 2636 PHE 172 CA 0.0038 0.0043 0.0055 2637 PHE 172 HA 0.0041 0.0041 0.0065 2638 PHE 172 CB 0.0026 0.0046 0.0031 2639 PHE 172 HB1 0.0018 0.0044 0.0021 2640 PHE 172 HB2 0.0037 0.0057 0.0019 2641 PHE 172 CG 0.0009 0.0035 0.0031 2642 PHE 172 CD1 0.0013 0.0038 0.0030 2643 PHE 172 HD1 0.0029 0.0048 0.0028 2644 PHE 172 CD2 -0.0011 0.0021 0.0036 2645 PHE 172 HD2 -0.0013 0.0019 0.0037 2646 PHE 172 CE1 -0.0002 0.0028 0.0031 2647 PHE 172 HE1 -0.0001 0.0029 0.0029 2648 PHE 172 CE2 -0.0027 0.0012 0.0034 2649 PHE 172 HE2 -0.0042 0.0001 0.0037 2650 PHE 172 CZ -0.0022 0.0015 0.0032 2651 PHE 172 HZ -0.0035 0.0008 0.0030 2652 PHE 172 C 0.0058 0.0055 0.0055 2653 PHE 172 O 0.0064 0.0066 0.0038 2654 THR 173 N 0.0058 0.0054 0.0079 2655 THR 173 H 0.0056 0.0047 0.0090 2656 THR 173 CA 0.0074 0.0065 0.0083 2657 THR 173 HA 0.0069 0.0064 0.0076 2658 THR 173 CB 0.0080 0.0060 0.0107 2659 THR 173 HB 0.0093 0.0068 0.0111 2660 THR 173 OG1 0.0080 0.0055 0.0118 2661 THR 173 HG1 0.0085 0.0061 0.0113 2662 THR 173 CG2 0.0068 0.0046 0.0115 2663 THR 173 HG21 0.0058 0.0036 0.0119 2664 THR 173 HG22 0.0074 0.0046 0.0128 2665 THR 173 HG23 0.0061 0.0046 0.0104 2666 THR 173 C 0.0088 0.0080 0.0076 2667 THR 173 O 0.0095 0.0082 0.0083 2668 GLY 174 N 0.0094 0.0090 0.0062 2669 GLY 174 H 0.0087 0.0088 0.0054 2670 GLY 174 CA 0.0109 0.0106 0.0056 2671 GLY 174 HA1 0.0116 0.0109 0.0059 2672 GLY 174 HA2 0.0117 0.0107 0.0066 2673 GLY 174 C 0.0105 0.0113 0.0033 2674 GLY 174 O 0.0099 0.0113 0.0020 2675 SER 175 N 0.0087 0.0096 0.0008 2676 SER 175 H 0.0090 0.0095 0.0017 2677 SER 175 CA 0.0085 0.0102 -0.0008 2678 SER 175 HA 0.0081 0.0102 -0.0016 2679 SER 175 CB 0.0100 0.0113 -0.0009 2680 SER 175 HB1 0.0100 0.0118 -0.0021 2681 SER 175 HB2 0.0106 0.0118 -0.0009 2682 SER 175 OG 0.0107 0.0113 0.0003 2683 SER 175 HG 0.0114 0.0116 0.0009 2684 SER 175 C 0.0074 0.0096 -0.0013 2685 SER 175 O 0.0073 0.0101 -0.0025 2686 HIS 176 N 0.0067 0.0086 -0.0003 2687 HIS 176 H 0.0068 0.0083 0.0007 2688 HIS 176 CA 0.0056 0.0079 -0.0004 2689 HIS 176 HA 0.0061 0.0083 -0.0006 2690 HIS 176 CB 0.0050 0.0068 0.0010 2691 HIS 176 HB1 0.0047 0.0065 0.0014 2692 HIS 176 HB2 0.0041 0.0062 0.0008 2693 HIS 176 CG 0.0059 0.0069 0.0023 2694 HIS 176 ND1 0.0060 0.0070 0.0023 2695 HIS 176 CD2 0.0065 0.0068 0.0038 2696 HIS 176 HD2 0.0067 0.0067 0.0042 2697 HIS 176 CE1 0.0068 0.0069 0.0038 2698 HIS 176 HE1 0.0070 0.0070 0.0040 2699 HIS 176 NE2 0.0072 0.0069 0.0046 2700 HIS 176 HE2 0.0077 0.0068 0.0057 2701 HIS 176 C 0.0046 0.0078 -0.0020 2702 HIS 176 O 0.0042 0.0079 -0.0027 2703 LYS 177 N 0.0036 0.0071 -0.0037 2704 LYS 177 H 0.0039 0.0074 -0.0034 2705 LYS 177 CA 0.0032 0.0068 -0.0047 2706 LYS 177 HA 0.0025 0.0062 -0.0046 2707 LYS 177 CB 0.0032 0.0068 -0.0047 2708 LYS 177 HB1 0.0029 0.0066 -0.0040 2709 LYS 177 HB2 0.0039 0.0073 -0.0048 2710 LYS 177 CG 0.0028 0.0065 -0.0056 2711 LYS 177 HG1 0.0032 0.0068 -0.0064 2712 LYS 177 HG2 0.0022 0.0059 -0.0058 2713 LYS 177 CD 0.0029 0.0066 -0.0055 2714 LYS 177 HD1 0.0025 0.0062 -0.0049 2715 LYS 177 HD2 0.0036 0.0071 -0.0054 2716 LYS 177 CE 0.0026 0.0063 -0.0065 2717 LYS 177 HE1 0.0031 0.0067 -0.0071 2718 LYS 177 HE2 0.0021 0.0058 -0.0069 2719 LYS 177 NZ 0.0026 0.0062 -0.0064 2720 LYS 177 HZ1 0.0021 0.0059 -0.0059 2721 LYS 177 HZ2 0.0031 0.0067 -0.0061 2722 LYS 177 HZ3 0.0025 0.0062 -0.0070 2723 LYS 177 C 0.0036 0.0071 -0.0056 2724 LYS 177 O 0.0033 0.0068 -0.0065 2725 GLU 178 N 0.0043 0.0077 -0.0056 2726 GLU 178 H 0.0047 0.0080 -0.0050 2727 GLU 178 CA 0.0047 0.0081 -0.0065 2728 GLU 178 HA 0.0046 0.0080 -0.0073 2729 GLU 178 CB 0.0057 0.0089 -0.0063 2730 GLU 178 HB1 0.0059 0.0091 -0.0058 2731 GLU 178 HB2 0.0059 0.0091 -0.0071 2732 GLU 178 CG 0.0061 0.0092 -0.0062 2733 GLU 178 HG1 0.0058 0.0090 -0.0068 2734 GLU 178 HG2 0.0059 0.0090 -0.0055 2735 GLU 178 CD 0.0070 0.0100 -0.0062 2736 GLU 178 OE1 0.0074 0.0103 -0.0064 2737 GLU 178 OE2 0.0074 0.0103 -0.0060 2738 GLU 178 C 0.0045 0.0078 -0.0066 2739 GLU 178 O 0.0046 0.0080 -0.0074 2740 ARG 179 N 0.0033 0.0065 -0.0061 2741 ARG 179 H 0.0033 0.0066 -0.0056 2742 ARG 179 CA 0.0031 0.0064 -0.0061 2743 ARG 179 HA 0.0032 0.0064 -0.0067 2744 ARG 179 CB 0.0036 0.0068 -0.0056 2745 ARG 179 HB1 0.0034 0.0066 -0.0056 2746 ARG 179 HB2 0.0041 0.0070 -0.0059 2747 ARG 179 CG 0.0037 0.0069 -0.0047 2748 ARG 179 HG1 0.0038 0.0070 -0.0047 2749 ARG 179 HG2 0.0032 0.0067 -0.0044 2750 ARG 179 CD 0.0042 0.0072 -0.0044 2751 ARG 179 HD1 0.0041 0.0072 -0.0037 2752 ARG 179 HD2 0.0042 0.0072 -0.0046 2753 ARG 179 NE 0.0049 0.0076 -0.0045 2754 ARG 179 HE 0.0050 0.0076 -0.0048 2755 ARG 179 CZ 0.0055 0.0080 -0.0043 2756 ARG 179 NH1 0.0054 0.0080 -0.0041 2757 ARG 179 HH11 0.0050 0.0078 -0.0038 2758 ARG 179 HH12 0.0058 0.0082 -0.0041 2759 ARG 179 NH2 0.0061 0.0083 -0.0046 2760 ARG 179 HH21 0.0061 0.0083 -0.0048 2761 ARG 179 HH22 0.0065 0.0086 -0.0047 2762 ARG 179 C 0.0023 0.0060 -0.0060 2763 ARG 179 O 0.0020 0.0058 -0.0060 2764 PHE 180 N 0.0019 0.0058 -0.0059 2765 PHE 180 H 0.0022 0.0059 -0.0059 2766 PHE 180 CA 0.0012 0.0054 -0.0057 2767 PHE 180 HA 0.0009 0.0052 -0.0058 2768 PHE 180 CB 0.0011 0.0054 -0.0048 2769 PHE 180 HB1 0.0013 0.0056 -0.0046 2770 PHE 180 HB2 0.0014 0.0056 -0.0045 2771 PHE 180 CG 0.0003 0.0050 -0.0045 2772 PHE 180 CD1 -0.0001 0.0047 -0.0046 2773 PHE 180 HD1 0.0002 0.0049 -0.0049 2774 PHE 180 CD2 0.0000 0.0048 -0.0041 2775 PHE 180 HD2 0.0003 0.0050 -0.0040 2776 PHE 180 CE1 -0.0008 0.0043 -0.0045 2777 PHE 180 HE1 -0.0011 0.0041 -0.0047 2778 PHE 180 CE2 -0.0007 0.0044 -0.0040 2779 PHE 180 HE2 -0.0011 0.0043 -0.0037 2780 PHE 180 CZ -0.0011 0.0042 -0.0041 2781 PHE 180 HZ -0.0017 0.0039 -0.0040 2782 PHE 180 C 0.0008 0.0051 -0.0061 2783 PHE 180 O 0.0011 0.0053 -0.0063 2784 ASP 181 N -0.0000 0.0046 -0.0068 2785 ASP 181 H -0.0000 0.0047 -0.0070 2786 ASP 181 CA -0.0012 0.0041 -0.0075 2787 ASP 181 HA -0.0012 0.0042 -0.0076 2788 ASP 181 CB -0.0017 0.0043 -0.0090 2789 ASP 181 HB1 -0.0010 0.0049 -0.0097 2790 ASP 181 HB2 -0.0020 0.0041 -0.0089 2791 ASP 181 CG -0.0030 0.0038 -0.0097 2792 ASP 181 OD1 -0.0030 0.0042 -0.0110 2793 ASP 181 OD2 -0.0039 0.0031 -0.0091 2794 ASP 181 C -0.0021 0.0033 -0.0064 2795 ASP 181 O -0.0021 0.0033 -0.0061 2796 PRO 182 N -0.0029 0.0028 -0.0060 2797 PRO 182 CA -0.0038 0.0020 -0.0050 2798 PRO 182 HA -0.0033 0.0020 -0.0040 2799 PRO 182 CB -0.0044 0.0016 -0.0047 2800 PRO 182 HB1 -0.0053 0.0010 -0.0043 2801 PRO 182 HB2 -0.0038 0.0017 -0.0038 2802 PRO 182 CG -0.0043 0.0020 -0.0059 2803 PRO 182 HG1 -0.0051 0.0018 -0.0066 2804 PRO 182 HG2 -0.0041 0.0020 -0.0055 2805 PRO 182 CD -0.0031 0.0028 -0.0065 2806 PRO 182 HD1 -0.0035 0.0030 -0.0076 2807 PRO 182 HD2 -0.0023 0.0032 -0.0061 2808 PRO 182 C -0.0047 0.0017 -0.0055 2809 PRO 182 O -0.0052 0.0012 -0.0046 2810 SER 183 N -0.0038 0.0028 -0.0076 2811 SER 183 H -0.0034 0.0031 -0.0081 2812 SER 183 CA -0.0045 0.0024 -0.0080 2813 SER 183 HA -0.0053 0.0019 -0.0078 2814 SER 183 CB -0.0047 0.0025 -0.0093 2815 SER 183 HB1 -0.0052 0.0022 -0.0096 2816 SER 183 HB2 -0.0050 0.0023 -0.0096 2817 SER 183 OG -0.0039 0.0031 -0.0099 2818 SER 183 HG -0.0034 0.0033 -0.0097 2819 SER 183 C -0.0043 0.0024 -0.0075 2820 SER 183 O -0.0050 0.0020 -0.0073 2821 GLY 184 N -0.0034 0.0030 -0.0071 2822 GLY 184 H -0.0029 0.0033 -0.0072 2823 GLY 184 CA -0.0030 0.0031 -0.0066 2824 GLY 184 HA1 -0.0026 0.0033 -0.0058 2825 GLY 184 HA2 -0.0037 0.0027 -0.0065 2826 GLY 184 C -0.0024 0.0037 -0.0074 2827 GLY 184 O -0.0025 0.0036 -0.0076 2828 LYS 185 N -0.0007 0.0045 -0.0076 2829 LYS 185 H -0.0007 0.0045 -0.0075 2830 LYS 185 CA -0.0004 0.0049 -0.0080 2831 LYS 185 HA -0.0004 0.0049 -0.0079 2832 LYS 185 CB -0.0005 0.0050 -0.0087 2833 LYS 185 HB1 -0.0006 0.0050 -0.0088 2834 LYS 185 HB2 -0.0003 0.0053 -0.0089 2835 LYS 185 CG -0.0010 0.0046 -0.0089 2836 LYS 185 HG1 -0.0011 0.0044 -0.0086 2837 LYS 185 HG2 -0.0013 0.0043 -0.0088 2838 LYS 185 CD -0.0012 0.0046 -0.0096 2839 LYS 185 HD1 -0.0012 0.0047 -0.0099 2840 LYS 185 HD2 -0.0010 0.0048 -0.0097 2841 LYS 185 CE -0.0017 0.0041 -0.0097 2842 LYS 185 HE1 -0.0018 0.0042 -0.0101 2843 LYS 185 HE2 -0.0018 0.0040 -0.0093 2844 LYS 185 NZ -0.0020 0.0038 -0.0097 2845 LYS 185 HZ1 -0.0023 0.0035 -0.0096 2846 LYS 185 HZ2 -0.0019 0.0038 -0.0093 2847 LYS 185 HZ3 -0.0021 0.0039 -0.0101 2848 LYS 185 C 0.0001 0.0053 -0.0077 2849 LYS 185 O 0.0002 0.0054 -0.0077 2850 GLY 186 N 0.0004 0.0055 -0.0074 2851 GLY 186 H 0.0003 0.0054 -0.0074 2852 GLY 186 CA 0.0009 0.0059 -0.0071 2853 GLY 186 HA1 0.0009 0.0060 -0.0070 2854 GLY 186 HA2 0.0010 0.0058 -0.0066 2855 GLY 186 C 0.0012 0.0064 -0.0075 2856 GLY 186 O 0.0012 0.0064 -0.0076 2857 LYS 187 N 0.0013 0.0059 -0.0077 2858 LYS 187 H 0.0013 0.0060 -0.0076 2859 LYS 187 CA 0.0015 0.0060 -0.0079 2860 LYS 187 HA 0.0014 0.0059 -0.0081 2861 LYS 187 CB 0.0016 0.0060 -0.0080 2862 LYS 187 HB1 0.0017 0.0062 -0.0079 2863 LYS 187 HB2 0.0018 0.0061 -0.0082 2864 LYS 187 CG 0.0015 0.0059 -0.0081 2865 LYS 187 HG1 0.0013 0.0057 -0.0082 2866 LYS 187 HG2 0.0014 0.0059 -0.0079 2867 LYS 187 CD 0.0016 0.0060 -0.0083 2868 LYS 187 HD1 0.0018 0.0061 -0.0082 2869 LYS 187 HD2 0.0017 0.0060 -0.0085 2870 LYS 187 CE 0.0015 0.0058 -0.0083 2871 LYS 187 HE1 0.0014 0.0057 -0.0085 2872 LYS 187 HE2 0.0014 0.0058 -0.0082 2873 LYS 187 NZ 0.0016 0.0059 -0.0085 2874 LYS 187 HZ1 0.0015 0.0057 -0.0086 2875 LYS 187 HZ2 0.0017 0.0060 -0.0085 2876 LYS 187 HZ3 0.0017 0.0059 -0.0087 2877 LYS 187 C 0.0016 0.0062 -0.0078 2878 LYS 187 O 0.0019 0.0063 -0.0079 2879 GLY 188 N 0.0015 0.0062 -0.0076 2880 GLY 188 H 0.0014 0.0060 -0.0075 2881 GLY 188 CA 0.0017 0.0063 -0.0074 2882 GLY 188 HA1 0.0017 0.0063 -0.0075 2883 GLY 188 HA2 0.0019 0.0065 -0.0075 2884 GLY 188 C 0.0016 0.0063 -0.0071 2885 GLY 188 O 0.0013 0.0062 -0.0070 2886 LYS 189 N 0.0020 0.0048 -0.0055 2887 LYS 189 H 0.0019 0.0045 -0.0053 2888 LYS 189 CA 0.0019 0.0050 -0.0060 2889 LYS 189 HA 0.0018 0.0051 -0.0063 2890 LYS 189 CB 0.0017 0.0047 -0.0061 2891 LYS 189 HB1 0.0018 0.0047 -0.0058 2892 LYS 189 HB2 0.0016 0.0049 -0.0065 2893 LYS 189 CG 0.0014 0.0042 -0.0062 2894 LYS 189 HG1 0.0013 0.0042 -0.0065 2895 LYS 189 HG2 0.0015 0.0040 -0.0059 2896 LYS 189 CD 0.0012 0.0038 -0.0062 2897 LYS 189 HD1 0.0013 0.0038 -0.0058 2898 LYS 189 HD2 0.0011 0.0039 -0.0065 2899 LYS 189 CE 0.0009 0.0032 -0.0062 2900 LYS 189 HE1 0.0007 0.0033 -0.0066 2901 LYS 189 HE2 0.0010 0.0031 -0.0059 2902 LYS 189 NZ 0.0007 0.0029 -0.0062 2903 LYS 189 HZ1 0.0005 0.0029 -0.0066 2904 LYS 189 HZ2 0.0005 0.0025 -0.0062 2905 LYS 189 HZ3 0.0008 0.0029 -0.0060 2906 LYS 189 C 0.0022 0.0056 -0.0059 2907 LYS 189 O 0.0023 0.0056 -0.0059 2908 ALA 190 N 0.0024 0.0059 -0.0058 2909 ALA 190 H 0.0024 0.0058 -0.0058 2910 ALA 190 CA 0.0027 0.0064 -0.0058 2911 ALA 190 HA 0.0026 0.0066 -0.0061 2912 ALA 190 CB 0.0030 0.0065 -0.0053 2913 ALA 190 HB1 0.0032 0.0069 -0.0052 2914 ALA 190 HB2 0.0030 0.0064 -0.0052 2915 ALA 190 HB3 0.0030 0.0063 -0.0050 2916 ALA 190 C 0.0027 0.0067 -0.0060 2917 ALA 190 O 0.0029 0.0067 -0.0058 2918 GLY 191 N 0.0029 0.0054 -0.0034 2919 GLY 191 H 0.0031 0.0051 -0.0026 2920 GLY 191 CA 0.0026 0.0052 -0.0033 2921 GLY 191 HA1 0.0021 0.0055 -0.0041 2922 GLY 191 HA2 0.0035 0.0055 -0.0030 2923 GLY 191 C 0.0019 0.0044 -0.0023 2924 GLY 191 O 0.0017 0.0039 -0.0015 2925 ARG 192 N 0.0015 0.0042 -0.0022 2926 ARG 192 H 0.0018 0.0046 -0.0028 2927 ARG 192 CA 0.0004 0.0034 -0.0017 2928 ARG 192 HA -0.0004 0.0033 -0.0021 2929 ARG 192 CB 0.0001 0.0035 -0.0019 2930 ARG 192 HB1 0.0002 0.0040 -0.0028 2931 ARG 192 HB2 0.0007 0.0034 -0.0013 2932 ARG 192 CG -0.0012 0.0028 -0.0017 2933 ARG 192 HG1 -0.0013 0.0022 -0.0008 2934 ARG 192 HG2 -0.0018 0.0029 -0.0025 2935 ARG 192 CD -0.0013 0.0028 -0.0019 2936 ARG 192 HD1 -0.0023 0.0024 -0.0018 2937 ARG 192 HD2 -0.0012 0.0033 -0.0027 2938 ARG 192 NE -0.0005 0.0026 -0.0009 2939 ARG 192 HE -0.0007 0.0021 -0.0001 2940 ARG 192 CZ 0.0005 0.0031 -0.0010 2941 ARG 192 NH1 0.0009 0.0038 -0.0020 2942 ARG 192 HH11 0.0003 0.0040 -0.0027 2943 ARG 192 HH12 0.0014 0.0040 -0.0021 2944 ARG 192 NH2 0.0013 0.0028 0.0000 2945 ARG 192 HH21 0.0011 0.0023 0.0009 2946 ARG 192 HH22 0.0022 0.0032 0.0000 2947 ARG 192 C 0.0007 0.0028 -0.0003 2948 ARG 192 O -0.0001 0.0021 0.0002 2949 VAL 193 N 0.0024 0.0030 0.0015 2950 VAL 193 H 0.0031 0.0035 0.0010 2951 VAL 193 CA 0.0028 0.0025 0.0028 2952 VAL 193 HA 0.0021 0.0020 0.0034 2953 VAL 193 CB 0.0038 0.0027 0.0032 2954 VAL 193 HB 0.0047 0.0031 0.0028 2955 VAL 193 CG1 0.0041 0.0021 0.0045 2956 VAL 193 HG11 0.0040 0.0019 0.0050 2957 VAL 193 HG12 0.0036 0.0018 0.0048 2958 VAL 193 HG13 0.0051 0.0023 0.0047 2959 VAL 193 CG2 0.0036 0.0029 0.0025 2960 VAL 193 HG21 0.0037 0.0034 0.0016 2961 VAL 193 HG22 0.0043 0.0031 0.0027 2962 VAL 193 HG23 0.0027 0.0026 0.0026 2963 VAL 193 C 0.0033 0.0025 0.0032 2964 VAL 193 O 0.0031 0.0020 0.0041 2965 ASP 194 N 0.0037 0.0030 0.0024 2966 ASP 194 H 0.0040 0.0035 0.0016 2967 ASP 194 CA 0.0041 0.0030 0.0027 2968 ASP 194 HA 0.0046 0.0028 0.0036 2969 ASP 194 CB 0.0048 0.0037 0.0017 2970 ASP 194 HB1 0.0043 0.0040 0.0009 2971 ASP 194 HB2 0.0050 0.0037 0.0018 2972 ASP 194 CG 0.0060 0.0041 0.0017 2973 ASP 194 OD1 0.0070 0.0043 0.0020 2974 ASP 194 OD2 0.0061 0.0044 0.0012 2975 ASP 194 C 0.0030 0.0027 0.0027 2976 ASP 194 O 0.0030 0.0023 0.0035 2977 LEU 195 N 0.0031 0.0036 0.0031 2978 LEU 195 H 0.0030 0.0038 0.0025 2979 LEU 195 CA 0.0018 0.0033 0.0025 2980 LEU 195 HA 0.0022 0.0031 0.0033 2981 LEU 195 CB 0.0019 0.0043 0.0005 2982 LEU 195 HB1 0.0024 0.0047 -0.0002 2983 LEU 195 HB2 0.0005 0.0039 -0.0002 2984 LEU 195 CG 0.0033 0.0050 0.0002 2985 LEU 195 HG 0.0031 0.0055 -0.0013 2986 LEU 195 CD1 0.0027 0.0043 0.0010 2987 LEU 195 HD11 0.0028 0.0037 0.0026 2988 LEU 195 HD12 0.0035 0.0048 0.0007 2989 LEU 195 HD13 0.0012 0.0038 0.0007 2990 LEU 195 CD2 0.0053 0.0056 0.0009 2991 LEU 195 HD21 0.0062 0.0061 0.0005 2992 LEU 195 HD22 0.0058 0.0051 0.0024 2993 LEU 195 HD23 0.0056 0.0059 0.0003 2994 LEU 195 C -0.0002 0.0024 0.0028 2995 LEU 195 O -0.0008 0.0025 0.0019 2996 VAL 196 N -0.0011 0.0015 0.0040 2997 VAL 196 H -0.0003 0.0015 0.0047 2998 VAL 196 CA -0.0027 0.0005 0.0047 2999 VAL 196 HA -0.0035 0.0005 0.0037 3000 VAL 196 CB -0.0020 -0.0000 0.0066 3001 VAL 196 HB -0.0031 -0.0007 0.0070 3002 VAL 196 CG1 -0.0003 0.0007 0.0064 3003 VAL 196 HG11 -0.0004 0.0002 0.0077 3004 VAL 196 HG12 -0.0007 0.0011 0.0053 3005 VAL 196 HG13 0.0011 0.0013 0.0065 3006 VAL 196 CG2 -0.0014 -0.0006 0.0084 3007 VAL 196 HG21 -0.0012 -0.0010 0.0097 3008 VAL 196 HG22 -0.0001 -0.0000 0.0084 3009 VAL 196 HG23 -0.0024 -0.0010 0.0085 3010 VAL 196 C -0.0042 -0.0003 0.0048 3011 VAL 196 O -0.0040 0.0000 0.0043 3012 ASP 197 N -0.0057 -0.0015 0.0069 3013 ASP 197 H -0.0062 -0.0016 0.0067 3014 ASP 197 CA -0.0076 -0.0026 0.0075 3015 ASP 197 HA -0.0088 -0.0026 0.0057 3016 ASP 197 CB -0.0093 -0.0041 0.0094 3017 ASP 197 HB1 -0.0082 -0.0041 0.0112 3018 ASP 197 HB2 -0.0109 -0.0049 0.0096 3019 ASP 197 CG -0.0107 -0.0045 0.0084 3020 ASP 197 OD1 -0.0110 -0.0052 0.0102 3021 ASP 197 OD2 -0.0115 -0.0041 0.0061 3022 ASP 197 C -0.0067 -0.0026 0.0089 3023 ASP 197 O -0.0049 -0.0023 0.0105 3024 GLU 198 N -0.0077 -0.0029 0.0082 3025 GLU 198 H -0.0090 -0.0030 0.0066 3026 GLU 198 CA -0.0072 -0.0028 0.0088 3027 GLU 198 HA -0.0052 -0.0019 0.0088 3028 GLU 198 CB -0.0086 -0.0028 0.0067 3029 GLU 198 HB1 -0.0085 -0.0021 0.0047 3030 GLU 198 HB2 -0.0105 -0.0038 0.0068 3031 GLU 198 CG -0.0081 -0.0027 0.0071 3032 GLU 198 HG1 -0.0082 -0.0034 0.0090 3033 GLU 198 HG2 -0.0062 -0.0017 0.0070 3034 GLU 198 CD -0.0097 -0.0028 0.0050 3035 GLU 198 OE1 -0.0095 -0.0028 0.0051 3036 GLU 198 OE2 -0.0112 -0.0030 0.0034 3037 GLU 198 C -0.0076 -0.0040 0.0115 3038 GLU 198 O -0.0066 -0.0038 0.0126 3039 SER 199 N -0.0106 -0.0073 0.0144 3040 SER 199 H -0.0114 -0.0068 0.0128 3041 SER 199 CA -0.0116 -0.0095 0.0179 3042 SER 199 HA -0.0095 -0.0093 0.0194 3043 SER 199 CB -0.0151 -0.0111 0.0179 3044 SER 199 HB1 -0.0158 -0.0127 0.0204 3045 SER 199 HB2 -0.0151 -0.0104 0.0164 3046 SER 199 OG -0.0177 -0.0118 0.0167 3047 SER 199 HG -0.0176 -0.0105 0.0143 3048 SER 199 C -0.0109 -0.0101 0.0198 3049 SER 199 O -0.0092 -0.0109 0.0229 3050 GLY 200 N -0.0120 -0.0097 0.0180 3051 GLY 200 H -0.0134 -0.0091 0.0155 3052 GLY 200 CA -0.0114 -0.0100 0.0192 3053 GLY 200 HA1 -0.0095 -0.0085 0.0178 3054 GLY 200 HA2 -0.0105 -0.0110 0.0220 3055 GLY 200 C -0.0151 -0.0114 0.0185 3056 GLY 200 O -0.0172 -0.0134 0.0203 3057 TYR 201 N -0.0152 -0.0103 0.0166 3058 TYR 201 H -0.0133 -0.0089 0.0151 3059 TYR 201 CA -0.0185 -0.0107 0.0159 3060 TYR 201 HA -0.0195 -0.0122 0.0180 3061 TYR 201 CB -0.0214 -0.0103 0.0140 3062 TYR 201 HB1 -0.0207 -0.0106 0.0147 3063 TYR 201 HB2 -0.0213 -0.0088 0.0115 3064 TYR 201 CG -0.0251 -0.0117 0.0148 3065 TYR 201 CD1 -0.0264 -0.0136 0.0174 3066 TYR 201 HD1 -0.0247 -0.0142 0.0191 3067 TYR 201 CD2 -0.0275 -0.0112 0.0128 3068 TYR 201 HD2 -0.0268 -0.0097 0.0107 3069 TYR 201 CE1 -0.0298 -0.0148 0.0181 3070 TYR 201 HE1 -0.0309 -0.0163 0.0200 3071 TYR 201 CE2 -0.0310 -0.0125 0.0137 3072 TYR 201 HE2 -0.0328 -0.0121 0.0121 3073 TYR 201 CZ -0.0321 -0.0144 0.0163 3074 TYR 201 OH -0.0352 -0.0158 0.0175 3075 TYR 201 HH -0.0367 -0.0154 0.0160 3076 TYR 201 C -0.0181 -0.0096 0.0141 3077 TYR 201 O -0.0203 -0.0102 0.0142 3078 VAL 202 N -0.0154 -0.0078 0.0123 3079 VAL 202 H -0.0139 -0.0074 0.0122 3080 VAL 202 CA -0.0146 -0.0065 0.0105 3081 VAL 202 HA -0.0149 -0.0075 0.0119 3082 VAL 202 CB -0.0172 -0.0054 0.0075 3083 VAL 202 HB -0.0197 -0.0066 0.0085 3084 VAL 202 CG1 -0.0178 -0.0043 0.0053 3085 VAL 202 HG11 -0.0183 -0.0052 0.0067 3086 VAL 202 HG12 -0.0156 -0.0029 0.0040 3087 VAL 202 HG13 -0.0199 -0.0036 0.0033 3088 VAL 202 CG2 -0.0165 -0.0042 0.0058 3089 VAL 202 HG21 -0.0143 -0.0028 0.0043 3090 VAL 202 HG22 -0.0158 -0.0051 0.0075 3091 VAL 202 HG23 -0.0185 -0.0035 0.0038 3092 VAL 202 C -0.0106 -0.0051 0.0099 3093 VAL 202 O -0.0091 -0.0052 0.0106 3094 SER 203 N -0.0097 -0.0038 0.0080 3095 SER 203 H -0.0106 -0.0040 0.0079 3096 SER 203 CA -0.0064 -0.0026 0.0072 3097 SER 203 HA -0.0058 -0.0022 0.0069 3098 SER 203 CB -0.0062 -0.0012 0.0045 3099 SER 203 HB1 -0.0038 -0.0003 0.0039 3100 SER 203 HB2 -0.0078 -0.0008 0.0027 3101 SER 203 OG -0.0063 -0.0015 0.0050 3102 SER 203 HG -0.0084 -0.0021 0.0050 3103 SER 203 C -0.0041 -0.0032 0.0098 3104 SER 203 O -0.0012 -0.0026 0.0102 3105 GLY 204 N -0.0052 -0.0045 0.0120 3106 GLY 204 H -0.0074 -0.0049 0.0115 3107 GLY 204 CA -0.0038 -0.0056 0.0151 3108 GLY 204 HA1 -0.0019 -0.0054 0.0157 3109 GLY 204 HA2 -0.0032 -0.0056 0.0153 3110 GLY 204 C -0.0062 -0.0073 0.0173 3111 GLY 204 O -0.0089 -0.0077 0.0166 3112 TYR 205 N -0.0040 -0.0098 0.0236 3113 TYR 205 H -0.0015 -0.0089 0.0240 3114 TYR 205 CA -0.0057 -0.0125 0.0272 3115 TYR 205 HA -0.0091 -0.0134 0.0260 3116 TYR 205 CB -0.0039 -0.0131 0.0296 3117 TYR 205 HB1 -0.0043 -0.0121 0.0276 3118 TYR 205 HB2 -0.0005 -0.0118 0.0300 3119 TYR 205 CG -0.0059 -0.0160 0.0332 3120 TYR 205 CD1 -0.0104 -0.0178 0.0329 3121 TYR 205 HD1 -0.0124 -0.0171 0.0299 3122 TYR 205 CD2 -0.0032 -0.0169 0.0371 3123 TYR 205 HD2 0.0003 -0.0155 0.0374 3124 TYR 205 CE1 -0.0118 -0.0205 0.0365 3125 TYR 205 HE1 -0.0152 -0.0219 0.0363 3126 TYR 205 CE2 -0.0047 -0.0196 0.0406 3127 TYR 205 HE2 -0.0025 -0.0202 0.0435 3128 TYR 205 CZ -0.0090 -0.0214 0.0403 3129 TYR 205 OH -0.0109 -0.0241 0.0437 3130 TYR 205 HH -0.0089 -0.0246 0.0462 3131 TYR 205 C -0.0048 -0.0135 0.0295 3132 TYR 205 O -0.0014 -0.0123 0.0302 3133 LYS 206 N -0.0080 -0.0157 0.0310 3134 LYS 206 H -0.0110 -0.0168 0.0305 3135 LYS 206 CA -0.0077 -0.0172 0.0339 3136 LYS 206 HA -0.0064 -0.0159 0.0327 3137 LYS 206 CB -0.0123 -0.0195 0.0342 3138 LYS 206 HB1 -0.0145 -0.0207 0.0346 3139 LYS 206 HB2 -0.0125 -0.0210 0.0369 3140 LYS 206 CG -0.0142 -0.0182 0.0303 3141 LYS 206 HG1 -0.0123 -0.0171 0.0299 3142 LYS 206 HG2 -0.0144 -0.0167 0.0275 3143 LYS 206 CD -0.0189 -0.0203 0.0302 3144 LYS 206 HD1 -0.0208 -0.0208 0.0296 3145 LYS 206 HD2 -0.0190 -0.0218 0.0330 3146 LYS 206 CE -0.0210 -0.0191 0.0265 3147 LYS 206 HE1 -0.0195 -0.0184 0.0264 3148 LYS 206 HE2 -0.0204 -0.0174 0.0238 3149 LYS 206 NZ -0.0256 -0.0211 0.0262 3150 LYS 206 HZ1 -0.0259 -0.0226 0.0287 3151 LYS 206 HZ2 -0.0267 -0.0200 0.0235 3152 LYS 206 HZ3 -0.0268 -0.0216 0.0261 3153 LYS 206 C -0.0050 -0.0183 0.0381 3154 LYS 206 O -0.0069 -0.0203 0.0402 3155 HIS 207 N -0.0010 -0.0180 0.0395 3156 HIS 207 H 0.0001 -0.0159 0.0372 3157 HIS 207 CA 0.0029 -0.0190 0.0437 3158 HIS 207 HA 0.0021 -0.0202 0.0447 3159 HIS 207 CB 0.0082 -0.0155 0.0424 3160 HIS 207 HB1 0.0083 -0.0138 0.0401 3161 HIS 207 HB2 0.0091 -0.0137 0.0405 3162 HIS 207 CG 0.0122 -0.0164 0.0466 3163 HIS 207 ND1 0.0138 -0.0170 0.0486 3164 HIS 207 CD2 0.0157 -0.0163 0.0489 3165 HIS 207 HD2 0.0155 -0.0162 0.0486 3166 HIS 207 CE1 0.0182 -0.0171 0.0518 3167 HIS 207 HE1 0.0202 -0.0178 0.0542 3168 HIS 207 NE2 0.0192 -0.0170 0.0523 3169 HIS 207 HE2 0.0220 -0.0171 0.0546 3170 HIS 207 C 0.0030 -0.0215 0.0473 3171 HIS 207 O 0.0020 -0.0213 0.0463 3172 ALA 208 N 0.0039 -0.0241 0.0517 3173 ALA 208 H 0.0044 -0.0242 0.0521 3174 ALA 208 CA 0.0047 -0.0267 0.0560 3175 ALA 208 HA 0.0019 -0.0278 0.0554 3176 ALA 208 CB 0.0042 -0.0297 0.0599 3177 ALA 208 HB1 0.0005 -0.0310 0.0592 3178 ALA 208 HB2 0.0069 -0.0291 0.0610 3179 ALA 208 HB3 0.0045 -0.0320 0.0634 3180 ALA 208 C 0.0098 -0.0248 0.0568 3181 ALA 208 O 0.0133 -0.0254 0.0602 3182 GLY 209 N 0.0097 -0.0226 0.0536 3183 GLY 209 H 0.0063 -0.0223 0.0509 3184 GLY 209 CA 0.0140 -0.0207 0.0538 3185 GLY 209 HA1 0.0169 -0.0219 0.0572 3186 GLY 209 HA2 0.0159 -0.0177 0.0511 3187 GLY 209 C 0.0115 -0.0213 0.0530 3188 GLY 209 O 0.0069 -0.0220 0.0509 3189 THR 210 N 0.0150 -0.0213 0.0552 3190 THR 210 H 0.0187 -0.0208 0.0570 3191 THR 210 CA 0.0136 -0.0217 0.0549 3192 THR 210 HA 0.0105 -0.0246 0.0568 3193 THR 210 CB 0.0189 -0.0211 0.0575 3194 THR 210 HB 0.0181 -0.0206 0.0563 3195 THR 210 OG1 0.0234 -0.0175 0.0556 3196 THR 210 HG1 0.0246 -0.0178 0.0568 3197 THR 210 CG2 0.0202 -0.0246 0.0631 3198 THR 210 HG21 0.0191 -0.0258 0.0639 3199 THR 210 HG22 0.0244 -0.0239 0.0648 3200 THR 210 HG23 0.0178 -0.0268 0.0643 3201 THR 210 C 0.0109 -0.0193 0.0499 3202 THR 210 O 0.0068 -0.0207 0.0491 3203 TYR 211 N 0.0121 -0.0152 0.0458 3204 TYR 211 H 0.0147 -0.0141 0.0462 3205 TYR 211 CA 0.0103 -0.0127 0.0409 3206 TYR 211 HA 0.0088 -0.0135 0.0410 3207 TYR 211 CB 0.0144 -0.0091 0.0390 3208 TYR 211 HB1 0.0166 -0.0089 0.0403 3209 TYR 211 HB2 0.0133 -0.0073 0.0356 3210 TYR 211 CG 0.0168 -0.0081 0.0393 3211 TYR 211 CD1 0.0158 -0.0063 0.0360 3212 TYR 211 HD1 0.0132 -0.0054 0.0329 3213 TYR 211 CD2 0.0204 -0.0090 0.0431 3214 TYR 211 HD2 0.0210 -0.0104 0.0454 3215 TYR 211 CE1 0.0180 -0.0057 0.0368 3216 TYR 211 HE1 0.0169 -0.0045 0.0344 3217 TYR 211 CE2 0.0225 -0.0086 0.0440 3218 TYR 211 HE2 0.0249 -0.0095 0.0470 3219 TYR 211 CZ 0.0209 -0.0070 0.0408 3220 TYR 211 OH 0.0230 -0.0063 0.0412 3221 TYR 211 HH 0.0258 -0.0065 0.0435 3222 TYR 211 C 0.0070 -0.0129 0.0388 3223 TYR 211 O 0.0031 -0.0131 0.0364 3224 ASP 212 N 0.0082 -0.0130 0.0399 3225 ASP 212 H 0.0114 -0.0127 0.0418 3226 ASP 212 CA 0.0056 -0.0127 0.0377 3227 ASP 212 HA 0.0056 -0.0104 0.0343 3228 ASP 212 CB 0.0077 -0.0127 0.0391 3229 ASP 212 HB1 0.0080 -0.0150 0.0425 3230 ASP 212 HB2 0.0053 -0.0130 0.0378 3231 ASP 212 CG 0.0123 -0.0095 0.0380 3232 ASP 212 OD1 0.0158 -0.0092 0.0402 3233 ASP 212 OD2 0.0127 -0.0077 0.0358 3234 ASP 212 C 0.0004 -0.0155 0.0377 3235 ASP 212 O -0.0023 -0.0149 0.0349 3236 GLN 213 N 0.0001 -0.0188 0.0414 3237 GLN 213 H 0.0025 -0.0192 0.0435 3238 GLN 213 CA -0.0049 -0.0218 0.0419 3239 GLN 213 HA -0.0061 -0.0219 0.0412 3240 GLN 213 CB -0.0046 -0.0252 0.0468 3241 GLN 213 HB1 -0.0014 -0.0250 0.0488 3242 GLN 213 HB2 -0.0038 -0.0255 0.0479 3243 GLN 213 CG -0.0090 -0.0286 0.0484 3244 GLN 213 HG1 -0.0088 -0.0309 0.0517 3245 GLN 213 HG2 -0.0122 -0.0286 0.0461 3246 GLN 213 CD -0.0095 -0.0292 0.0489 3247 GLN 213 OE1 -0.0129 -0.0317 0.0499 3248 GLN 213 NE2 -0.0064 -0.0269 0.0479 3249 GLN 213 HE21 -0.0032 -0.0249 0.0475 3250 GLN 213 HE22 -0.0072 -0.0275 0.0482 3251 GLN 213 C -0.0081 -0.0214 0.0391 3252 GLN 213 O -0.0127 -0.0231 0.0382 3253 LYS 214 N -0.0060 -0.0193 0.0376 3254 LYS 214 H -0.0024 -0.0179 0.0384 3255 LYS 214 CA -0.0079 -0.0191 0.0360 3256 LYS 214 HA -0.0115 -0.0212 0.0363 3257 LYS 214 CB -0.0045 -0.0195 0.0390 3258 LYS 214 HB1 -0.0038 -0.0216 0.0424 3259 LYS 214 HB2 -0.0010 -0.0172 0.0383 3260 LYS 214 CG -0.0067 -0.0200 0.0381 3261 LYS 214 HG1 -0.0064 -0.0175 0.0349 3262 LYS 214 HG2 -0.0103 -0.0221 0.0384 3263 LYS 214 CD -0.0040 -0.0211 0.0416 3264 LYS 214 HD1 -0.0040 -0.0234 0.0448 3265 LYS 214 HD2 -0.0001 -0.0195 0.0421 3266 LYS 214 CE -0.0061 -0.0219 0.0412 3267 LYS 214 HE1 -0.0099 -0.0238 0.0411 3268 LYS 214 HE2 -0.0043 -0.0232 0.0443 3269 LYS 214 NZ -0.0056 -0.0188 0.0372 3270 LYS 214 HZ1 -0.0084 -0.0185 0.0349 3271 LYS 214 HZ2 -0.0059 -0.0191 0.0374 3272 LYS 214 HZ3 -0.0024 -0.0168 0.0368 3273 LYS 214 C -0.0081 -0.0157 0.0312 3274 LYS 214 O -0.0117 -0.0156 0.0284 3275 VAL 215 N -0.0038 -0.0119 0.0280 3276 VAL 215 H -0.0014 -0.0119 0.0301 3277 VAL 215 CA -0.0034 -0.0091 0.0241 3278 VAL 215 HA -0.0063 -0.0095 0.0220 3279 VAL 215 CB -0.0013 -0.0072 0.0231 3280 VAL 215 HB -0.0025 -0.0086 0.0241 3281 VAL 215 CG1 0.0033 -0.0056 0.0250 3282 VAL 215 HG11 0.0040 -0.0054 0.0252 3283 VAL 215 HG12 0.0039 -0.0072 0.0279 3284 VAL 215 HG13 0.0048 -0.0036 0.0234 3285 VAL 215 CG2 -0.0020 -0.0048 0.0188 3286 VAL 215 HG21 -0.0051 -0.0058 0.0173 3287 VAL 215 HG22 -0.0007 -0.0034 0.0179 3288 VAL 215 HG23 -0.0005 -0.0032 0.0177 3289 VAL 215 C -0.0017 -0.0079 0.0238 3290 VAL 215 O 0.0009 -0.0082 0.0267 3291 GLN 216 N -0.0026 -0.0063 0.0204 3292 GLN 216 H -0.0049 -0.0062 0.0182 3293 GLN 216 CA -0.0005 -0.0040 0.0189 3294 GLN 216 HA 0.0025 -0.0033 0.0207 3295 GLN 216 CB -0.0020 -0.0052 0.0193 3296 GLN 216 HB1 -0.0051 -0.0060 0.0177 3297 GLN 216 HB2 -0.0008 -0.0033 0.0176 3298 GLN 216 CG -0.0016 -0.0076 0.0235 3299 GLN 216 HG1 -0.0029 -0.0096 0.0253 3300 GLN 216 HG2 -0.0035 -0.0087 0.0233 3301 GLN 216 CD 0.0026 -0.0067 0.0260 3302 GLN 216 OE1 0.0051 -0.0049 0.0256 3303 GLN 216 NE2 0.0031 -0.0082 0.0288 3304 GLN 216 HE21 0.0010 -0.0099 0.0293 3305 GLN 216 HE22 0.0058 -0.0079 0.0308 3306 GLN 216 C -0.0003 -0.0012 0.0148 3307 GLN 216 O -0.0012 -0.0010 0.0137 3308 GLY 217 N -0.0006 -0.0011 0.0120 3309 GLY 217 H -0.0005 -0.0013 0.0126 3310 GLY 217 CA 0.0000 0.0001 0.0099 3311 GLY 217 HA1 -0.0008 0.0000 0.0089 3312 GLY 217 HA2 -0.0001 0.0003 0.0092 3313 GLY 217 C 0.0021 0.0014 0.0098 3314 GLY 217 O 0.0025 0.0013 0.0106 3315 GLY 218 N 0.0034 0.0025 0.0089 3316 GLY 218 H 0.0028 0.0023 0.0085 3317 GLY 218 CA 0.0054 0.0038 0.0087 3318 GLY 218 HA1 0.0055 0.0037 0.0091 3319 GLY 218 HA2 0.0054 0.0045 0.0070 3320 GLY 218 C 0.0069 0.0040 0.0102 3321 GLY 218 O 0.0065 0.0038 0.0104 3322 LYS 219 N 0.0100 0.0054 0.0130 3323 LYS 219 H 0.0111 0.0070 0.0128 3324 LYS 219 CA 0.0120 0.0054 0.0147 3325 LYS 219 HA 0.0107 0.0056 0.0135 3326 LYS 219 CB 0.0127 0.0023 0.0176 3327 LYS 219 HB1 0.0146 0.0028 0.0189 3328 LYS 219 HB2 0.0106 0.0003 0.0173 3329 LYS 219 CG 0.0140 0.0012 0.0195 3330 LYS 219 HG1 0.0124 0.0010 0.0183 3331 LYS 219 HG2 0.0160 0.0034 0.0196 3332 LYS 219 CD 0.0146 -0.0021 0.0224 3333 LYS 219 HD1 0.0158 -0.0022 0.0236 3334 LYS 219 HD2 0.0123 -0.0043 0.0221 3335 LYS 219 CE 0.0165 -0.0026 0.0245 3336 LYS 219 HE1 0.0156 -0.0023 0.0234 3337 LYS 219 HE2 0.0189 -0.0006 0.0251 3338 LYS 219 NZ 0.0169 -0.0058 0.0271 3339 LYS 219 HZ1 0.0182 -0.0058 0.0282 3340 LYS 219 HZ2 0.0184 -0.0059 0.0285 3341 LYS 219 HZ3 0.0149 -0.0079 0.0270 3342 LYS 219 C 0.0148 0.0086 0.0148 3343 LYS 219 O1 0.0153 0.0110 0.0135 3344 LYS 219 O2 0.0166 0.0090 0.0160 3345 ASP 1 N -0.0091 0.0010 -0.0060 3346 ASP 1 H1 -0.0093 0.0007 -0.0059 3347 ASP 1 H2 -0.0090 -0.0005 -0.0047 3348 ASP 1 H3 -0.0107 0.0016 -0.0072 3349 ASP 1 CA -0.0064 0.0029 -0.0065 3350 ASP 1 HA -0.0058 0.0030 -0.0064 3351 ASP 1 CB -0.0040 0.0021 -0.0048 3352 ASP 1 HB1 -0.0020 0.0034 -0.0051 3353 ASP 1 HB2 -0.0038 0.0004 -0.0032 3354 ASP 1 CG -0.0042 0.0019 -0.0047 3355 ASP 1 OD1 -0.0066 0.0007 -0.0047 3356 ASP 1 OD2 -0.0020 0.0025 -0.0043 3357 ASP 1 C -0.0068 0.0053 -0.0088 3358 ASP 1 O -0.0087 0.0054 -0.0097 3359 ALA 2 N -0.0051 0.0073 -0.0098 3360 ALA 2 H -0.0037 0.0069 -0.0089 3361 ALA 2 CA -0.0052 0.0097 -0.0119 3362 ALA 2 HA -0.0073 0.0098 -0.0129 3363 ALA 2 CB -0.0029 0.0114 -0.0124 3364 ALA 2 HB1 -0.0035 0.0110 -0.0123 3365 ALA 2 HB2 -0.0008 0.0110 -0.0112 3366 ALA 2 HB3 -0.0029 0.0132 -0.0140 3367 ALA 2 C -0.0050 0.0105 -0.0126 3368 ALA 2 O -0.0037 0.0096 -0.0112 3369 GLU 3 N -0.0061 0.0127 -0.0143 3370 GLU 3 H -0.0070 0.0136 -0.0152 3371 GLU 3 CA -0.0061 0.0133 -0.0148 3372 GLU 3 HA -0.0073 0.0121 -0.0141 3373 GLU 3 CB -0.0081 0.0153 -0.0169 3374 GLU 3 HB1 -0.0082 0.0160 -0.0175 3375 GLU 3 HB2 -0.0104 0.0148 -0.0169 3376 GLU 3 CG -0.0070 0.0175 -0.0186 3377 GLU 3 HG1 -0.0047 0.0180 -0.0185 3378 GLU 3 HG2 -0.0078 0.0190 -0.0199 3379 GLU 3 CD -0.0081 0.0174 -0.0186 3380 GLU 3 OE1 -0.0085 0.0155 -0.0171 3381 GLU 3 OE2 -0.0084 0.0192 -0.0202 3382 GLU 3 C -0.0032 0.0141 -0.0149 3383 GLU 3 O -0.0032 0.0140 -0.0149 3384 PHE 4 N -0.0009 0.0147 -0.0150 3385 PHE 4 H -0.0011 0.0147 -0.0151 3386 PHE 4 CA 0.0022 0.0150 -0.0147 3387 PHE 4 HA 0.0021 0.0161 -0.0157 3388 PHE 4 CB 0.0042 0.0161 -0.0153 3389 PHE 4 HB1 0.0044 0.0149 -0.0142 3390 PHE 4 HB2 0.0064 0.0165 -0.0152 3391 PHE 4 CG 0.0033 0.0182 -0.0173 3392 PHE 4 CD1 0.0035 0.0203 -0.0190 3393 PHE 4 HD1 0.0045 0.0207 -0.0191 3394 PHE 4 CD2 0.0020 0.0181 -0.0174 3395 PHE 4 HD2 0.0021 0.0166 -0.0161 3396 PHE 4 CE1 0.0021 0.0221 -0.0207 3397 PHE 4 HE1 0.0025 0.0237 -0.0220 3398 PHE 4 CE2 0.0006 0.0199 -0.0192 3399 PHE 4 HE2 -0.0005 0.0197 -0.0192 3400 PHE 4 CZ 0.0006 0.0220 -0.0210 3401 PHE 4 HZ -0.0007 0.0233 -0.0223 3402 PHE 4 C 0.0034 0.0129 -0.0127 3403 PHE 4 O 0.0058 0.0133 -0.0126 3404 ARG 5 N 0.0011 0.0107 -0.0106 3405 ARG 5 H -0.0003 0.0104 -0.0108 3406 ARG 5 CA 0.0016 0.0092 -0.0092 3407 ARG 5 HA 0.0034 0.0093 -0.0088 3408 ARG 5 CB 0.0004 0.0074 -0.0079 3409 ARG 5 HB1 0.0009 0.0074 -0.0079 3410 ARG 5 HB2 -0.0014 0.0074 -0.0085 3411 ARG 5 CG 0.0009 0.0056 -0.0064 3412 ARG 5 HG1 0.0025 0.0059 -0.0062 3413 ARG 5 HG2 0.0011 0.0047 -0.0055 3414 ARG 5 CD -0.0012 0.0046 -0.0060 3415 ARG 5 HD1 -0.0018 0.0054 -0.0069 3416 ARG 5 HD2 -0.0007 0.0034 -0.0049 3417 ARG 5 NE -0.0031 0.0040 -0.0060 3418 ARG 5 HE -0.0026 0.0039 -0.0058 3419 ARG 5 CZ -0.0052 0.0032 -0.0059 3420 ARG 5 NH1 -0.0057 0.0030 -0.0059 3421 ARG 5 HH11 -0.0047 0.0034 -0.0059 3422 ARG 5 HH12 -0.0073 0.0023 -0.0057 3423 ARG 5 NH2 -0.0068 0.0026 -0.0059 3424 ARG 5 HH21 -0.0063 0.0027 -0.0058 3425 ARG 5 HH22 -0.0084 0.0019 -0.0057 3426 ARG 5 C 0.0005 0.0094 -0.0097 3427 ARG 5 O 0.0015 0.0091 -0.0091 3428 HIS 6 N -0.0016 0.0100 -0.0107 3429 HIS 6 H -0.0023 0.0102 -0.0111 3430 HIS 6 CA -0.0029 0.0099 -0.0110 3431 HIS 6 HA -0.0028 0.0086 -0.0099 3432 HIS 6 CB -0.0054 0.0102 -0.0119 3433 HIS 6 HB1 -0.0054 0.0115 -0.0130 3434 HIS 6 HB2 -0.0064 0.0101 -0.0121 3435 HIS 6 CG -0.0067 0.0087 -0.0111 3436 HIS 6 ND1 -0.0060 0.0084 -0.0106 3437 HIS 6 CD2 -0.0087 0.0075 -0.0106 3438 HIS 6 HD2 -0.0099 0.0072 -0.0106 3439 HIS 6 CE1 -0.0074 0.0072 -0.0099 3440 HIS 6 HE1 -0.0070 0.0066 -0.0093 3441 HIS 6 NE2 -0.0091 0.0066 -0.0099 3442 HIS 6 HE2 -0.0105 0.0056 -0.0094 3443 HIS 6 C -0.0019 0.0115 -0.0121 3444 HIS 6 O -0.0023 0.0115 -0.0122 3445 ASP 7 N 0.0002 0.0128 -0.0130 3446 ASP 7 H 0.0003 0.0128 -0.0130 3447 ASP 7 CA 0.0014 0.0137 -0.0139 3448 ASP 7 HA 0.0005 0.0144 -0.0145 3449 ASP 7 CB 0.0026 0.0146 -0.0147 3450 ASP 7 HB1 0.0018 0.0154 -0.0154 3451 ASP 7 HB2 0.0032 0.0139 -0.0141 3452 ASP 7 CG 0.0042 0.0153 -0.0153 3453 ASP 7 OD1 0.0057 0.0149 -0.0150 3454 ASP 7 OD2 0.0040 0.0160 -0.0160 3455 ASP 7 C 0.0023 0.0130 -0.0132 3456 ASP 7 O 0.0020 0.0133 -0.0135 3457 SER 8 N 0.0034 0.0120 -0.0124 3458 SER 8 H 0.0035 0.0118 -0.0122 3459 SER 8 CA 0.0046 0.0112 -0.0117 3460 SER 8 HA 0.0052 0.0120 -0.0124 3461 SER 8 CB 0.0063 0.0106 -0.0111 3462 SER 8 HB1 0.0061 0.0095 -0.0102 3463 SER 8 HB2 0.0074 0.0106 -0.0112 3464 SER 8 OG 0.0066 0.0115 -0.0119 3465 SER 8 HG 0.0069 0.0123 -0.0127 3466 SER 8 C 0.0035 0.0100 -0.0105 3467 SER 8 O 0.0043 0.0092 -0.0098 3468 GLY 9 N 0.0019 0.0103 -0.0102 3469 GLY 9 H 0.0012 0.0108 -0.0110 3470 GLY 9 CA 0.0012 0.0097 -0.0091 3471 GLY 9 HA1 0.0019 0.0091 -0.0083 3472 GLY 9 HA2 0.0002 0.0095 -0.0086 3473 GLY 9 C 0.0006 0.0100 -0.0095 3474 GLY 9 O 0.0007 0.0095 -0.0087 3475 TYR 10 N 0.0003 0.0108 -0.0108 3476 TYR 10 H 0.0002 0.0113 -0.0115 3477 TYR 10 CA 0.0003 0.0111 -0.0113 3478 TYR 10 HA -0.0003 0.0107 -0.0105 3479 TYR 10 CB -0.0006 0.0120 -0.0125 3480 TYR 10 HB1 -0.0000 0.0124 -0.0132 3481 TYR 10 HB2 -0.0005 0.0123 -0.0131 3482 TYR 10 CG -0.0023 0.0121 -0.0123 3483 TYR 10 CD1 -0.0035 0.0119 -0.0117 3484 TYR 10 HD1 -0.0032 0.0115 -0.0111 3485 TYR 10 CD2 -0.0029 0.0126 -0.0129 3486 TYR 10 HD2 -0.0020 0.0127 -0.0134 3487 TYR 10 CE1 -0.0050 0.0121 -0.0118 3488 TYR 10 HE1 -0.0059 0.0120 -0.0114 3489 TYR 10 CE2 -0.0044 0.0127 -0.0128 3490 TYR 10 HE2 -0.0048 0.0131 -0.0134 3491 TYR 10 CZ -0.0055 0.0125 -0.0123 3492 TYR 10 OH -0.0071 0.0126 -0.0121 3493 TYR 10 HH -0.0076 0.0126 -0.0121 3494 TYR 10 C 0.0019 0.0111 -0.0116 3495 TYR 10 O 0.0021 0.0110 -0.0115 3496 GLU 11 N 0.0030 0.0116 -0.0109 3497 GLU 11 H 0.0031 0.0118 -0.0111 3498 GLU 11 CA 0.0036 0.0111 -0.0111 3499 GLU 11 HA 0.0035 0.0112 -0.0110 3500 GLU 11 CB 0.0042 0.0114 -0.0118 3501 GLU 11 HB1 0.0040 0.0119 -0.0120 3502 GLU 11 HB2 0.0044 0.0111 -0.0119 3503 GLU 11 CG 0.0047 0.0113 -0.0122 3504 GLU 11 HG1 0.0051 0.0113 -0.0127 3505 GLU 11 HG2 0.0048 0.0108 -0.0120 3506 GLU 11 CD 0.0044 0.0119 -0.0124 3507 GLU 11 OE1 0.0044 0.0118 -0.0123 3508 GLU 11 OE2 0.0041 0.0126 -0.0126 3509 GLU 11 C 0.0038 0.0103 -0.0107 3510 GLU 11 O 0.0042 0.0099 -0.0108 3511 VAL 12 N 0.0036 0.0100 -0.0102 3512 VAL 12 H 0.0032 0.0104 -0.0102 3513 VAL 12 CA 0.0037 0.0093 -0.0098 3514 VAL 12 HA 0.0041 0.0092 -0.0101 3515 VAL 12 CB 0.0032 0.0093 -0.0093 3516 VAL 12 HB 0.0031 0.0096 -0.0095 3517 VAL 12 CG1 0.0025 0.0095 -0.0088 3518 VAL 12 HG11 0.0025 0.0099 -0.0091 3519 VAL 12 HG12 0.0025 0.0091 -0.0085 3520 VAL 12 HG13 0.0021 0.0097 -0.0086 3521 VAL 12 CG2 0.0034 0.0085 -0.0089 3522 VAL 12 HG21 0.0039 0.0081 -0.0091 3523 VAL 12 HG22 0.0029 0.0085 -0.0085 3524 VAL 12 HG23 0.0033 0.0082 -0.0086 3525 VAL 12 C 0.0040 0.0087 -0.0096 3526 VAL 12 O 0.0045 0.0082 -0.0098 3527 HIS 13 N 0.0043 0.0086 -0.0097 3528 HIS 13 H 0.0043 0.0091 -0.0094 3529 HIS 13 CA 0.0040 0.0080 -0.0094 3530 HIS 13 HA 0.0039 0.0076 -0.0097 3531 HIS 13 CB 0.0037 0.0082 -0.0087 3532 HIS 13 HB1 0.0038 0.0086 -0.0085 3533 HIS 13 HB2 0.0035 0.0077 -0.0085 3534 HIS 13 CG 0.0037 0.0084 -0.0084 3535 HIS 13 ND1 0.0035 0.0080 -0.0084 3536 HIS 13 CD2 0.0038 0.0091 -0.0081 3537 HIS 13 HD2 0.0039 0.0095 -0.0080 3538 HIS 13 CE1 0.0035 0.0084 -0.0080 3539 HIS 13 HE1 0.0035 0.0082 -0.0080 3540 HIS 13 NE2 0.0037 0.0090 -0.0079 3541 HIS 13 HE2 0.0037 0.0093 -0.0076 3542 HIS 13 C 0.0039 0.0077 -0.0096 3543 HIS 13 O 0.0038 0.0071 -0.0097 3544 HIS 14 N 0.0041 0.0082 -0.0096 3545 HIS 14 H 0.0042 0.0087 -0.0096 3546 HIS 14 CA 0.0041 0.0080 -0.0097 3547 HIS 14 HA 0.0038 0.0076 -0.0094 3548 HIS 14 CB 0.0042 0.0086 -0.0096 3549 HIS 14 HB1 0.0045 0.0090 -0.0100 3550 HIS 14 HB2 0.0042 0.0086 -0.0096 3551 HIS 14 CG 0.0041 0.0090 -0.0089 3552 HIS 14 ND1 0.0038 0.0086 -0.0084 3553 HIS 14 CD2 0.0042 0.0097 -0.0087 3554 HIS 14 HD2 0.0045 0.0102 -0.0089 3555 HIS 14 CE1 0.0037 0.0091 -0.0078 3556 HIS 14 HE1 0.0035 0.0091 -0.0074 3557 HIS 14 NE2 0.0040 0.0098 -0.0080 3558 HIS 14 HE2 0.0040 0.0102 -0.0078 3559 HIS 14 C 0.0043 0.0077 -0.0105 3560 HIS 14 O 0.0042 0.0072 -0.0106 3561 GLN 15 N 0.0046 0.0082 -0.0110 3562 GLN 15 H 0.0044 0.0085 -0.0109 3563 GLN 15 CA 0.0049 0.0079 -0.0113 3564 GLN 15 HA 0.0051 0.0079 -0.0117 3565 GLN 15 CB 0.0048 0.0084 -0.0115 3566 GLN 15 HB1 0.0045 0.0084 -0.0111 3567 GLN 15 HB2 0.0049 0.0081 -0.0117 3568 GLN 15 CG 0.0046 0.0089 -0.0119 3569 GLN 15 HG1 0.0049 0.0088 -0.0122 3570 GLN 15 HG2 0.0045 0.0091 -0.0117 3571 GLN 15 CD 0.0046 0.0093 -0.0121 3572 GLN 15 OE1 0.0045 0.0097 -0.0124 3573 GLN 15 NE2 0.0045 0.0092 -0.0119 3574 GLN 15 HE21 0.0045 0.0089 -0.0115 3575 GLN 15 HE22 0.0045 0.0094 -0.0120 3576 GLN 15 C 0.0050 0.0074 -0.0110 3577 GLN 15 O 0.0053 0.0070 -0.0113 3578 LYS 16 N 0.0048 0.0074 -0.0105 3579 LYS 16 H 0.0046 0.0077 -0.0103 3580 LYS 16 CA 0.0049 0.0069 -0.0102 3581 LYS 16 HA 0.0051 0.0067 -0.0103 3582 LYS 16 CB 0.0046 0.0070 -0.0096 3583 LYS 16 HB1 0.0044 0.0074 -0.0097 3584 LYS 16 HB2 0.0044 0.0071 -0.0094 3585 LYS 16 CG 0.0047 0.0065 -0.0093 3586 LYS 16 HG1 0.0044 0.0066 -0.0089 3587 LYS 16 HG2 0.0048 0.0061 -0.0093 3588 LYS 16 CD 0.0048 0.0065 -0.0096 3589 LYS 16 HD1 0.0050 0.0065 -0.0100 3590 LYS 16 HD2 0.0046 0.0069 -0.0096 3591 LYS 16 CE 0.0048 0.0061 -0.0092 3592 LYS 16 HE1 0.0046 0.0062 -0.0088 3593 LYS 16 HE2 0.0050 0.0057 -0.0091 3594 LYS 16 NZ 0.0049 0.0062 -0.0094 3595 LYS 16 HZ1 0.0048 0.0060 -0.0091 3596 LYS 16 HZ2 0.0051 0.0061 -0.0097 3597 LYS 16 HZ3 0.0047 0.0066 -0.0094 3598 LYS 16 C 0.0050 0.0064 -0.0100 3599 LYS 16 O 0.0053 0.0060 -0.0101 3600 LEU 17 N 0.0029 0.0055 -0.0106 3601 LEU 17 H 0.0033 0.0060 -0.0103 3602 LEU 17 CA 0.0024 0.0049 -0.0101 3603 LEU 17 HA 0.0021 0.0045 -0.0101 3604 LEU 17 CB 0.0024 0.0052 -0.0091 3605 LEU 17 HB1 0.0028 0.0057 -0.0090 3606 LEU 17 HB2 0.0021 0.0049 -0.0087 3607 LEU 17 CG 0.0024 0.0054 -0.0086 3608 LEU 17 HG 0.0027 0.0057 -0.0090 3609 LEU 17 CD1 0.0027 0.0060 -0.0077 3610 LEU 17 HD11 0.0026 0.0060 -0.0074 3611 LEU 17 HD12 0.0025 0.0059 -0.0072 3612 LEU 17 HD13 0.0031 0.0065 -0.0079 3613 LEU 17 CD2 0.0019 0.0047 -0.0083 3614 LEU 17 HD21 0.0018 0.0044 -0.0089 3615 LEU 17 HD22 0.0018 0.0048 -0.0078 3616 LEU 17 HD23 0.0016 0.0044 -0.0080 3617 LEU 17 C 0.0022 0.0045 -0.0104 3618 LEU 17 O 0.0017 0.0039 -0.0103 3619 VAL 18 N 0.0026 0.0049 -0.0108 3620 VAL 18 H 0.0029 0.0054 -0.0107 3621 VAL 18 CA 0.0025 0.0046 -0.0113 3622 VAL 18 HA 0.0021 0.0043 -0.0110 3623 VAL 18 CB 0.0030 0.0052 -0.0116 3624 VAL 18 HB 0.0033 0.0056 -0.0117 3625 VAL 18 CG1 0.0030 0.0050 -0.0124 3626 VAL 18 HG11 0.0026 0.0045 -0.0125 3627 VAL 18 HG12 0.0033 0.0055 -0.0124 3628 VAL 18 HG13 0.0032 0.0050 -0.0130 3629 VAL 18 CG2 0.0030 0.0055 -0.0108 3630 VAL 18 HG21 0.0034 0.0060 -0.0108 3631 VAL 18 HG22 0.0027 0.0051 -0.0106 3632 VAL 18 HG23 0.0030 0.0056 -0.0102 3633 VAL 18 C 0.0022 0.0041 -0.0121 3634 VAL 18 O 0.0019 0.0035 -0.0124 3635 PHE 19 N 0.0025 0.0043 -0.0118 3636 PHE 19 H 0.0027 0.0048 -0.0114 3637 PHE 19 CA 0.0024 0.0040 -0.0122 3638 PHE 19 HA 0.0023 0.0035 -0.0127 3639 PHE 19 CB 0.0026 0.0047 -0.0126 3640 PHE 19 HB1 0.0026 0.0048 -0.0133 3641 PHE 19 HB2 0.0028 0.0052 -0.0122 3642 PHE 19 CG 0.0026 0.0046 -0.0128 3643 PHE 19 CD1 0.0024 0.0042 -0.0136 3644 PHE 19 HD1 0.0023 0.0040 -0.0141 3645 PHE 19 CD2 0.0027 0.0048 -0.0123 3646 PHE 19 HD2 0.0028 0.0050 -0.0116 3647 PHE 19 CE1 0.0024 0.0041 -0.0138 3648 PHE 19 HE1 0.0022 0.0036 -0.0142 3649 PHE 19 CE2 0.0026 0.0047 -0.0124 3650 PHE 19 HE2 0.0027 0.0048 -0.0120 3651 PHE 19 CZ 0.0025 0.0043 -0.0132 3652 PHE 19 HZ 0.0024 0.0042 -0.0134 3653 PHE 19 C 0.0023 0.0034 -0.0117 3654 PHE 19 O 0.0021 0.0027 -0.0120 3655 PHE 20 N 0.0024 0.0037 -0.0109 3656 PHE 20 H 0.0026 0.0042 -0.0107 3657 PHE 20 CA 0.0022 0.0031 -0.0104 3658 PHE 20 HA 0.0022 0.0030 -0.0107 3659 PHE 20 CB 0.0024 0.0035 -0.0095 3660 PHE 20 HB1 0.0025 0.0038 -0.0092 3661 PHE 20 HB2 0.0023 0.0031 -0.0091 3662 PHE 20 CG 0.0026 0.0042 -0.0096 3663 PHE 20 CD1 0.0029 0.0049 -0.0090 3664 PHE 20 HD1 0.0029 0.0050 -0.0087 3665 PHE 20 CD2 0.0026 0.0041 -0.0101 3666 PHE 20 HD2 0.0024 0.0036 -0.0105 3667 PHE 20 CE1 0.0030 0.0054 -0.0090 3668 PHE 20 HE1 0.0032 0.0059 -0.0085 3669 PHE 20 CE2 0.0028 0.0048 -0.0101 3670 PHE 20 HE2 0.0027 0.0047 -0.0104 3671 PHE 20 CZ 0.0030 0.0054 -0.0095 3672 PHE 20 HZ 0.0031 0.0057 -0.0094 3673 PHE 20 C 0.0020 0.0023 -0.0101 3674 PHE 20 O 0.0018 0.0017 -0.0101 3675 ALA 21 N 0.0004 0.0016 -0.0104 3676 ALA 21 H 0.0008 0.0021 -0.0103 3677 ALA 21 CA -0.0001 0.0009 -0.0102 3678 ALA 21 HA -0.0001 0.0006 -0.0096 3679 ALA 21 CB 0.0000 0.0010 -0.0100 3680 ALA 21 HB1 0.0001 0.0013 -0.0106 3681 ALA 21 HB2 -0.0003 0.0004 -0.0098 3682 ALA 21 HB3 0.0004 0.0013 -0.0094 3683 ALA 21 C -0.0007 0.0003 -0.0110 3684 ALA 21 O -0.0011 -0.0003 -0.0107 3685 GLU 22 N -0.0007 0.0007 -0.0119 3686 GLU 22 H -0.0003 0.0013 -0.0120 3687 GLU 22 CA -0.0012 0.0002 -0.0126 3688 GLU 22 HA -0.0016 -0.0004 -0.0124 3689 GLU 22 CB -0.0012 0.0006 -0.0134 3690 GLU 22 HB1 -0.0008 0.0012 -0.0136 3691 GLU 22 HB2 -0.0015 0.0004 -0.0141 3692 GLU 22 CG -0.0013 0.0004 -0.0133 3693 GLU 22 HG1 -0.0010 0.0006 -0.0127 3694 GLU 22 HG2 -0.0013 0.0007 -0.0139 3695 GLU 22 CD -0.0019 -0.0004 -0.0132 3696 GLU 22 OE1 -0.0023 -0.0009 -0.0136 3697 GLU 22 OE2 -0.0018 -0.0006 -0.0125 3698 GLU 22 C -0.0013 0.0003 -0.0130 3699 GLU 22 O -0.0018 -0.0003 -0.0133 3700 ASP 23 N -0.0007 0.0020 -0.0129 3701 ASP 23 H -0.0003 0.0022 -0.0128 3702 ASP 23 CA -0.0007 0.0022 -0.0134 3703 ASP 23 HA -0.0009 0.0023 -0.0139 3704 ASP 23 CB -0.0000 0.0028 -0.0135 3705 ASP 23 HB1 0.0002 0.0030 -0.0137 3706 ASP 23 HB2 0.0003 0.0027 -0.0130 3707 ASP 23 CG 0.0000 0.0030 -0.0141 3708 ASP 23 OD1 0.0001 0.0030 -0.0139 3709 ASP 23 OD2 -0.0000 0.0033 -0.0147 3710 ASP 23 C -0.0010 0.0018 -0.0132 3711 ASP 23 O -0.0014 0.0018 -0.0136 3712 VAL 24 N -0.0008 0.0017 -0.0125 3713 VAL 24 H -0.0005 0.0017 -0.0121 3714 VAL 24 CA -0.0011 0.0014 -0.0123 3715 VAL 24 HA -0.0010 0.0016 -0.0127 3716 VAL 24 CB -0.0006 0.0014 -0.0115 3717 VAL 24 HB -0.0002 0.0018 -0.0117 3718 VAL 24 CG1 -0.0007 0.0011 -0.0108 3719 VAL 24 HG11 -0.0004 0.0011 -0.0104 3720 VAL 24 HG12 -0.0005 0.0012 -0.0107 3721 VAL 24 HG13 -0.0011 0.0007 -0.0108 3722 VAL 24 CG2 -0.0006 0.0014 -0.0115 3723 VAL 24 HG21 -0.0003 0.0015 -0.0110 3724 VAL 24 HG22 -0.0011 0.0010 -0.0114 3725 VAL 24 HG23 -0.0005 0.0017 -0.0120 3726 VAL 24 C -0.0017 0.0008 -0.0122 3727 VAL 24 O -0.0021 0.0006 -0.0123 3728 GLY 25 N -0.0018 -0.0001 -0.0126 3729 GLY 25 H -0.0015 0.0003 -0.0128 3730 GLY 25 CA -0.0026 -0.0009 -0.0128 3731 GLY 25 HA1 -0.0029 -0.0013 -0.0126 3732 GLY 25 HA2 -0.0025 -0.0011 -0.0122 3733 GLY 25 C -0.0030 -0.0007 -0.0138 3734 GLY 25 O -0.0035 -0.0012 -0.0140 3735 SER 26 N -0.0027 -0.0001 -0.0145 3736 SER 26 H -0.0023 0.0002 -0.0143 3737 SER 26 CA -0.0031 0.0001 -0.0155 3738 SER 26 HA -0.0037 -0.0005 -0.0157 3739 SER 26 CB -0.0030 0.0004 -0.0159 3740 SER 26 HB1 -0.0032 0.0006 -0.0167 3741 SER 26 HB2 -0.0032 -0.0000 -0.0156 3742 SER 26 OG -0.0022 0.0011 -0.0156 3743 SER 26 HG -0.0020 0.0009 -0.0149 3744 SER 26 C -0.0030 0.0005 -0.0161 3745 SER 26 O -0.0035 0.0003 -0.0167 3746 ASN 27 N -0.0017 0.0019 -0.0170 3747 ASN 27 H -0.0017 0.0021 -0.0170 3748 ASN 27 CA -0.0016 0.0024 -0.0166 3749 ASN 27 HA -0.0017 0.0024 -0.0168 3750 ASN 27 CB -0.0017 0.0033 -0.0164 3751 ASN 27 HB1 -0.0020 0.0035 -0.0169 3752 ASN 27 HB2 -0.0016 0.0032 -0.0161 3753 ASN 27 CG -0.0017 0.0039 -0.0159 3754 ASN 27 OD1 -0.0017 0.0039 -0.0160 3755 ASN 27 ND2 -0.0016 0.0045 -0.0155 3756 ASN 27 HD21 -0.0016 0.0044 -0.0155 3757 ASN 27 HD22 -0.0017 0.0050 -0.0153 3758 ASN 27 C -0.0012 0.0020 -0.0158 3759 ASN 27 O -0.0010 0.0016 -0.0156 3760 LYS 28 N -0.0010 0.0021 -0.0155 3761 LYS 28 H -0.0012 0.0024 -0.0157 3762 LYS 28 CA -0.0006 0.0017 -0.0148 3763 LYS 28 HA -0.0005 0.0019 -0.0145 3764 LYS 28 CB -0.0005 0.0008 -0.0149 3765 LYS 28 HB1 -0.0002 0.0006 -0.0144 3766 LYS 28 HB2 -0.0005 0.0006 -0.0152 3767 LYS 28 CG -0.0006 0.0006 -0.0154 3768 LYS 28 HG1 -0.0009 0.0008 -0.0160 3769 LYS 28 HG2 -0.0006 0.0009 -0.0153 3770 LYS 28 CD -0.0004 -0.0003 -0.0154 3771 LYS 28 HD1 -0.0001 -0.0005 -0.0149 3772 LYS 28 HD2 -0.0004 -0.0007 -0.0156 3773 LYS 28 CE -0.0006 -0.0006 -0.0160 3774 LYS 28 HE1 -0.0007 -0.0010 -0.0165 3775 LYS 28 HE2 -0.0008 -0.0001 -0.0161 3776 LYS 28 NZ -0.0003 -0.0011 -0.0155 3777 LYS 28 HZ1 -0.0003 -0.0012 -0.0158 3778 LYS 28 HZ2 -0.0002 -0.0007 -0.0151 3779 LYS 28 HZ3 -0.0001 -0.0015 -0.0153 3780 LYS 28 C -0.0005 0.0022 -0.0143 3781 LYS 28 O -0.0002 0.0023 -0.0136 3782 GLY 29 N -0.0009 0.0026 -0.0148 3783 GLY 29 H -0.0012 0.0026 -0.0155 3784 GLY 29 CA -0.0008 0.0030 -0.0140 3785 GLY 29 HA1 -0.0005 0.0025 -0.0140 3786 GLY 29 HA2 -0.0014 0.0037 -0.0142 3787 GLY 29 C -0.0005 0.0034 -0.0128 3788 GLY 29 O 0.0000 0.0030 -0.0121 3789 ALA 30 N -0.0010 0.0042 -0.0127 3790 ALA 30 H -0.0015 0.0045 -0.0133 3791 ALA 30 CA -0.0009 0.0047 -0.0116 3792 ALA 30 HA -0.0004 0.0045 -0.0110 3793 ALA 30 CB -0.0015 0.0058 -0.0114 3794 ALA 30 HB1 -0.0014 0.0062 -0.0107 3795 ALA 30 HB2 -0.0016 0.0060 -0.0115 3796 ALA 30 HB3 -0.0020 0.0062 -0.0121 3797 ALA 30 C -0.0008 0.0046 -0.0116 3798 ALA 30 O -0.0006 0.0049 -0.0108 3799 ILE 31 N -0.0003 0.0037 -0.0126 3800 ILE 31 H -0.0003 0.0034 -0.0130 3801 ILE 31 CA -0.0002 0.0034 -0.0126 3802 ILE 31 HA -0.0003 0.0039 -0.0124 3803 ILE 31 CB -0.0004 0.0031 -0.0135 3804 ILE 31 HB -0.0002 0.0025 -0.0137 3805 ILE 31 CG1 -0.0010 0.0035 -0.0141 3806 ILE 31 HG11 -0.0009 0.0034 -0.0143 3807 ILE 31 HG12 -0.0011 0.0033 -0.0147 3808 ILE 31 CG2 -0.0004 0.0030 -0.0137 3809 ILE 31 HG21 -0.0000 0.0026 -0.0133 3810 ILE 31 HG22 -0.0007 0.0034 -0.0137 3811 ILE 31 HG23 -0.0004 0.0025 -0.0142 3812 ILE 31 CD -0.0014 0.0044 -0.0139 3813 ILE 31 HD1 -0.0012 0.0046 -0.0133 3814 ILE 31 HD2 -0.0017 0.0047 -0.0143 3815 ILE 31 HD3 -0.0015 0.0046 -0.0139 3816 ILE 31 C 0.0004 0.0028 -0.0122 3817 ILE 31 O 0.0006 0.0028 -0.0118 3818 ILE 32 N 0.0007 0.0022 -0.0122 3819 ILE 32 H 0.0005 0.0023 -0.0126 3820 ILE 32 CA 0.0013 0.0016 -0.0119 3821 ILE 32 HA 0.0013 0.0011 -0.0124 3822 ILE 32 CB 0.0014 0.0014 -0.0118 3823 ILE 32 HB 0.0012 0.0014 -0.0123 3824 ILE 32 CG1 0.0020 0.0007 -0.0116 3825 ILE 32 HG11 0.0021 0.0005 -0.0116 3826 ILE 32 HG12 0.0023 0.0006 -0.0110 3827 ILE 32 CG2 0.0014 0.0021 -0.0112 3828 ILE 32 HG21 0.0017 0.0019 -0.0105 3829 ILE 32 HG22 0.0013 0.0020 -0.0113 3830 ILE 32 HG23 0.0010 0.0026 -0.0111 3831 ILE 32 CD 0.0020 0.0000 -0.0123 3832 ILE 32 HD1 0.0017 0.0002 -0.0129 3833 ILE 32 HD2 0.0024 -0.0005 -0.0122 3834 ILE 32 HD3 0.0021 -0.0001 -0.0123 3835 ILE 32 C 0.0017 0.0015 -0.0112 3836 ILE 32 O 0.0020 0.0009 -0.0112 3837 GLY 33 N 0.0008 0.0027 -0.0096 3838 GLY 33 H 0.0006 0.0031 -0.0096 3839 GLY 33 CA 0.0010 0.0027 -0.0090 3840 GLY 33 HA1 0.0013 0.0022 -0.0089 3841 GLY 33 HA2 0.0010 0.0029 -0.0086 3842 GLY 33 C 0.0008 0.0030 -0.0091 3843 GLY 33 O 0.0010 0.0029 -0.0087 3844 LEU 34 N 0.0004 0.0035 -0.0095 3845 LEU 34 H 0.0003 0.0035 -0.0098 3846 LEU 34 CA 0.0002 0.0038 -0.0096 3847 LEU 34 HA 0.0003 0.0039 -0.0091 3848 LEU 34 CB -0.0002 0.0044 -0.0099 3849 LEU 34 HB1 -0.0003 0.0043 -0.0102 3850 LEU 34 HB2 -0.0005 0.0046 -0.0101 3851 LEU 34 CG -0.0004 0.0049 -0.0093 3852 LEU 34 HG -0.0003 0.0050 -0.0089 3853 LEU 34 CD1 -0.0002 0.0048 -0.0089 3854 LEU 34 HD11 0.0001 0.0044 -0.0087 3855 LEU 34 HD12 -0.0003 0.0048 -0.0093 3856 LEU 34 HD13 -0.0003 0.0053 -0.0085 3857 LEU 34 CD2 -0.0008 0.0055 -0.0096 3858 LEU 34 HD21 -0.0009 0.0055 -0.0099 3859 LEU 34 HD22 -0.0009 0.0056 -0.0099 3860 LEU 34 HD23 -0.0009 0.0060 -0.0092 3861 LEU 34 C 0.0003 0.0033 -0.0101 3862 LEU 34 O 0.0003 0.0033 -0.0101 3863 MET 35 N -0.0002 0.0027 -0.0107 3864 MET 35 H -0.0002 0.0028 -0.0107 3865 MET 35 CA 0.0000 0.0022 -0.0114 3866 MET 35 HA -0.0003 0.0024 -0.0118 3867 MET 35 CB 0.0002 0.0019 -0.0117 3868 MET 35 HB1 -0.0000 0.0022 -0.0115 3869 MET 35 HB2 0.0005 0.0015 -0.0115 3870 MET 35 CG -0.0001 0.0019 -0.0125 3871 MET 35 HG1 0.0002 0.0015 -0.0127 3872 MET 35 HG2 -0.0004 0.0023 -0.0127 3873 MET 35 SD -0.0000 0.0017 -0.0129 3874 MET 35 CE 0.0005 0.0009 -0.0131 3875 MET 35 HE1 0.0008 0.0007 -0.0126 3876 MET 35 HE2 0.0006 0.0007 -0.0133 3877 MET 35 HE3 0.0006 0.0007 -0.0135 3878 MET 35 C 0.0004 0.0018 -0.0112 3879 MET 35 O 0.0004 0.0015 -0.0117 3880 VAL 36 N 0.0007 0.0017 -0.0106 3881 VAL 36 H 0.0006 0.0019 -0.0102 3882 VAL 36 CA 0.0011 0.0013 -0.0103 3883 VAL 36 HA 0.0011 0.0010 -0.0108 3884 VAL 36 CB 0.0015 0.0008 -0.0099 3885 VAL 36 HB 0.0018 0.0005 -0.0097 3886 VAL 36 CG1 0.0016 0.0005 -0.0104 3887 VAL 36 HG11 0.0014 0.0007 -0.0106 3888 VAL 36 HG12 0.0020 0.0001 -0.0102 3889 VAL 36 HG13 0.0016 0.0003 -0.0110 3890 VAL 36 CG2 0.0014 0.0012 -0.0093 3891 VAL 36 HG21 0.0017 0.0009 -0.0091 3892 VAL 36 HG22 0.0011 0.0016 -0.0094 3893 VAL 36 HG23 0.0014 0.0014 -0.0088 3894 VAL 36 C 0.0010 0.0015 -0.0099 3895 VAL 36 O 0.0013 0.0012 -0.0097 3896 GLY 37 N -0.0014 0.0029 -0.0088 3897 GLY 37 H -0.0017 0.0032 -0.0090 3898 GLY 37 CA -0.0009 0.0030 -0.0084 3899 GLY 37 HA1 -0.0011 0.0031 -0.0086 3900 GLY 37 HA2 -0.0006 0.0026 -0.0083 3901 GLY 37 C -0.0007 0.0037 -0.0082 3902 GLY 37 O -0.0010 0.0041 -0.0084 3903 GLY 38 N -0.0002 0.0038 -0.0078 3904 GLY 38 H 0.0000 0.0034 -0.0077 3905 GLY 38 CA 0.0001 0.0044 -0.0076 3906 GLY 38 HA1 -0.0002 0.0048 -0.0077 3907 GLY 38 HA2 0.0003 0.0046 -0.0074 3908 GLY 38 C 0.0005 0.0042 -0.0072 3909 GLY 38 O 0.0010 0.0045 -0.0069 3910 VAL 39 N 0.0014 0.0033 -0.0071 3911 VAL 39 H 0.0011 0.0032 -0.0074 3912 VAL 39 CA 0.0017 0.0029 -0.0069 3913 VAL 39 HA 0.0021 0.0029 -0.0066 3914 VAL 39 CB 0.0017 0.0023 -0.0071 3915 VAL 39 HB 0.0019 0.0020 -0.0070 3916 VAL 39 CG1 0.0018 0.0020 -0.0071 3917 VAL 39 HG11 0.0015 0.0021 -0.0073 3918 VAL 39 HG12 0.0019 0.0015 -0.0071 3919 VAL 39 HG13 0.0021 0.0021 -0.0068 3920 VAL 39 CG2 0.0012 0.0022 -0.0076 3921 VAL 39 HG21 0.0011 0.0024 -0.0076 3922 VAL 39 HG22 0.0013 0.0017 -0.0077 3923 VAL 39 HG23 0.0010 0.0023 -0.0078 3924 VAL 39 C 0.0018 0.0032 -0.0067 3925 VAL 39 O 0.0019 0.0029 -0.0067 3926 VAL 40 N 0.0019 0.0038 -0.0065 3927 VAL 40 H 0.0019 0.0039 -0.0065 3928 VAL 40 CA 0.0022 0.0041 -0.0062 3929 VAL 40 HA 0.0020 0.0040 -0.0063 3930 VAL 40 CB 0.0021 0.0048 -0.0060 3931 VAL 40 HB 0.0023 0.0049 -0.0058 3932 VAL 40 CG1 0.0016 0.0051 -0.0064 3933 VAL 40 HG11 0.0014 0.0049 -0.0066 3934 VAL 40 HG12 0.0014 0.0049 -0.0067 3935 VAL 40 HG13 0.0015 0.0056 -0.0063 3936 VAL 40 CG2 0.0022 0.0049 -0.0059 3937 VAL 40 HG21 0.0022 0.0054 -0.0058 3938 VAL 40 HG22 0.0020 0.0049 -0.0061 3939 VAL 40 HG23 0.0025 0.0048 -0.0056 3940 VAL 40 C 0.0027 0.0038 -0.0058 3941 VAL 40 O 0.0029 0.0038 -0.0055 3942 ILE 41 N 0.0029 0.0037 -0.0059 3943 ILE 41 H 0.0025 0.0037 -0.0062 3944 ILE 41 CA 0.0033 0.0034 -0.0058 3945 ILE 41 HA 0.0036 0.0035 -0.0053 3946 ILE 41 CB 0.0031 0.0034 -0.0060 3947 ILE 41 HB 0.0029 0.0033 -0.0065 3948 ILE 41 CG1 0.0026 0.0039 -0.0057 3949 ILE 41 HG11 0.0027 0.0042 -0.0053 3950 ILE 41 HG12 0.0023 0.0041 -0.0058 3951 ILE 41 CG2 0.0036 0.0032 -0.0059 3952 ILE 41 HG21 0.0034 0.0031 -0.0061 3953 ILE 41 HG22 0.0040 0.0028 -0.0060 3954 ILE 41 HG23 0.0037 0.0033 -0.0054 3955 ILE 41 CD 0.0023 0.0040 -0.0060 3956 ILE 41 HD1 0.0019 0.0044 -0.0058 3957 ILE 41 HD2 0.0022 0.0038 -0.0065 3958 ILE 41 HD3 0.0026 0.0039 -0.0058 3959 ILE 41 C 0.0038 0.0029 -0.0061 3960 ILE 41 O 0.0036 0.0027 -0.0066 3961 ALA 42 N 0.0043 0.0027 -0.0057 3962 ALA 42 H 0.0044 0.0030 -0.0053 3963 ALA 42 CA 0.0048 0.0022 -0.0059 3964 ALA 42 HA 0.0048 0.0021 -0.0063 3965 ALA 42 CB 0.0053 0.0022 -0.0054 3966 ALA 42 HB1 0.0057 0.0019 -0.0055 3967 ALA 42 HB2 0.0052 0.0024 -0.0053 3968 ALA 42 HB3 0.0054 0.0024 -0.0050 3969 ALA 42 C 0.0051 0.0020 -0.0061 3970 ALA 42 O1 0.0052 0.0016 -0.0066 3971 ALA 42 O2 0.0051 0.0022 -0.0057