1 LYS 1 N -0.0129 0.0243 0.0095 2 LYS 1 CA -0.0129 0.0245 0.0097 3 LYS 1 C -0.0150 0.0237 0.0067 4 LYS 1 O -0.0147 0.0214 0.0046 5 LYS 1 CB -0.0099 0.0227 0.0109 6 LYS 1 CG -0.0096 0.0226 0.0111 7 LYS 1 CD -0.0065 0.0208 0.0125 8 LYS 1 CE -0.0063 0.0207 0.0127 9 LYS 1 NZ -0.0033 0.0190 0.0140 10 LYS 1 H1 -0.0114 0.0246 0.0114 11 LYS 1 H2 -0.0148 0.0257 0.0090 12 LYS 1 H3 -0.0124 0.0223 0.0079 13 LYS 1 HA -0.0137 0.0268 0.0112 14 LYS 1 HB3 -0.0089 0.0205 0.0097 15 LYS 1 HB2 -0.0086 0.0235 0.0132 16 LYS 1 HG3 -0.0106 0.0247 0.0123 17 LYS 1 HG2 -0.0107 0.0216 0.0089 18 LYS 1 HD3 -0.0055 0.0186 0.0113 19 LYS 1 HD2 -0.0053 0.0218 0.0148 20 LYS 1 HE3 -0.0072 0.0228 0.0139 21 LYS 1 HE2 -0.0074 0.0198 0.0105 22 LYS 1 HZ1 -0.0032 0.0191 0.0141 23 LYS 1 HZ2 -0.0021 0.0198 0.0161 24 LYS 1 HZ3 -0.0024 0.0169 0.0128 25 VAL 2 N -0.0144 0.0257 0.0072 26 VAL 2 CA -0.0158 0.0242 0.0052 27 VAL 2 C -0.0132 0.0231 0.0066 28 VAL 2 O -0.0122 0.0254 0.0087 29 VAL 2 CB -0.0189 0.0272 0.0044 30 VAL 2 CG1 -0.0205 0.0257 0.0023 31 VAL 2 CG2 -0.0214 0.0286 0.0032 32 VAL 2 H -0.0139 0.0281 0.0089 33 VAL 2 HA -0.0165 0.0219 0.0033 34 VAL 2 HB -0.0182 0.0294 0.0062 35 VAL 2 HG11 -0.0227 0.0277 0.0017 36 VAL 2 HG12 -0.0189 0.0250 0.0031 37 VAL 2 HG13 -0.0211 0.0233 0.0004 38 VAL 2 HG21 -0.0235 0.0307 0.0026 39 VAL 2 HG22 -0.0222 0.0265 0.0013 40 VAL 2 HG23 -0.0204 0.0299 0.0046 41 PHE 3 N -0.0120 0.0158 0.0026 42 PHE 3 CA -0.0106 0.0149 0.0036 43 PHE 3 C -0.0114 0.0155 0.0031 44 PHE 3 O -0.0130 0.0155 0.0016 45 PHE 3 CB -0.0100 0.0123 0.0031 46 PHE 3 CG -0.0086 0.0112 0.0039 47 PHE 3 CD1 -0.0092 0.0111 0.0033 48 PHE 3 CD2 -0.0068 0.0102 0.0053 49 PHE 3 CE1 -0.0080 0.0101 0.0041 50 PHE 3 CE2 -0.0055 0.0092 0.0061 51 PHE 3 CZ -0.0061 0.0091 0.0055 52 PHE 3 H -0.0127 0.0147 0.0015 53 PHE 3 HA -0.0095 0.0157 0.0050 54 PHE 3 HB3 -0.0093 0.0116 0.0034 55 PHE 3 HB2 -0.0112 0.0115 0.0017 56 PHE 3 HD1 -0.0106 0.0118 0.0023 57 PHE 3 HD2 -0.0063 0.0103 0.0058 58 PHE 3 HE1 -0.0084 0.0100 0.0037 59 PHE 3 HE2 -0.0041 0.0084 0.0071 60 PHE 3 HZ -0.0052 0.0083 0.0061 61 GLU 4 N -0.0090 0.0154 0.0042 62 GLU 4 CA -0.0095 0.0148 0.0036 63 GLU 4 C -0.0088 0.0102 0.0024 64 GLU 4 O -0.0069 0.0078 0.0029 65 GLU 4 CB -0.0069 0.0166 0.0063 66 GLU 4 CG -0.0075 0.0212 0.0076 67 GLU 4 CD -0.0048 0.0230 0.0103 68 GLU 4 OE1 -0.0046 0.0227 0.0103 69 GLU 4 OE2 -0.0031 0.0248 0.0123 70 GLU 4 H -0.0067 0.0156 0.0060 71 GLU 4 HA -0.0121 0.0162 0.0022 72 GLU 4 HB3 -0.0069 0.0159 0.0060 73 GLU 4 HB2 -0.0043 0.0153 0.0078 74 GLU 4 HG3 -0.0076 0.0220 0.0078 75 GLU 4 HG2 -0.0101 0.0226 0.0062 76 ARG 5 N -0.0045 0.0060 -0.0008 77 ARG 5 CA -0.0056 0.0031 0.0008 78 ARG 5 C -0.0038 0.0020 0.0012 79 ARG 5 O -0.0055 0.0014 0.0017 80 ARG 5 CB -0.0051 0.0008 0.0020 81 ARG 5 CG -0.0061 -0.0023 0.0038 82 ARG 5 CD -0.0057 -0.0045 0.0049 83 ARG 5 NE -0.0022 -0.0051 0.0048 84 ARG 5 CZ -0.0001 -0.0073 0.0058 85 ARG 5 NH1 -0.0012 -0.0092 0.0069 86 ARG 5 NH2 0.0030 -0.0076 0.0056 87 ARG 5 H -0.0040 0.0062 -0.0009 88 ARG 5 HA -0.0082 0.0034 0.0010 89 ARG 5 HB3 -0.0025 0.0008 0.0018 90 ARG 5 HB2 -0.0066 0.0016 0.0017 91 ARG 5 HG3 -0.0087 -0.0023 0.0040 92 ARG 5 HG2 -0.0046 -0.0033 0.0041 93 ARG 5 HD3 -0.0070 -0.0035 0.0045 94 ARG 5 HD2 -0.0069 -0.0066 0.0061 95 ARG 5 HE -0.0012 -0.0037 0.0040 96 ARG 5 HH12 0.0004 -0.0108 0.0076 97 ARG 5 HH11 -0.0036 -0.0090 0.0070 98 ARG 5 HH22 0.0046 -0.0092 0.0063 99 ARG 5 HH21 0.0040 -0.0062 0.0048 100 CYS 6 N -0.0056 0.0027 0.0039 101 CYS 6 CA -0.0042 0.0018 0.0043 102 CYS 6 C -0.0038 0.0033 0.0036 103 CYS 6 O -0.0032 0.0025 0.0040 104 CYS 6 CB -0.0018 0.0012 0.0046 105 CYS 6 SG -0.0019 -0.0010 0.0057 106 CYS 6 H -0.0048 0.0032 0.0036 107 CYS 6 HA -0.0050 0.0004 0.0050 108 CYS 6 HB3 -0.0006 0.0007 0.0049 109 CYS 6 HB2 -0.0009 0.0025 0.0040 110 GLU 7 N -0.0049 0.0063 0.0056 111 GLU 7 CA -0.0038 0.0075 0.0062 112 GLU 7 C -0.0048 0.0060 0.0057 113 GLU 7 O -0.0032 0.0053 0.0061 114 GLU 7 CB -0.0046 0.0105 0.0065 115 GLU 7 CG -0.0035 0.0120 0.0071 116 GLU 7 CD -0.0048 0.0148 0.0072 117 GLU 7 OE1 -0.0069 0.0154 0.0065 118 GLU 7 OE2 -0.0035 0.0164 0.0078 119 GLU 7 H -0.0064 0.0074 0.0053 120 GLU 7 HA -0.0017 0.0072 0.0069 121 GLU 7 HB3 -0.0067 0.0108 0.0058 122 GLU 7 HB2 -0.0039 0.0115 0.0069 123 GLU 7 HG3 -0.0014 0.0122 0.0079 124 GLU 7 HG2 -0.0038 0.0109 0.0068 125 LEU 8 N -0.0070 0.0047 0.0031 126 LEU 8 CA -0.0075 0.0032 0.0022 127 LEU 8 C -0.0072 0.0016 0.0025 128 LEU 8 O -0.0070 0.0002 0.0025 129 LEU 8 CB -0.0086 0.0036 0.0006 130 LEU 8 CG -0.0092 0.0022 -0.0005 131 LEU 8 CD1 -0.0090 0.0017 -0.0002 132 LEU 8 CD2 -0.0103 0.0027 -0.0020 133 LEU 8 H -0.0074 0.0056 0.0026 134 LEU 8 HA -0.0073 0.0029 0.0025 135 LEU 8 HB3 -0.0088 0.0039 0.0004 136 LEU 8 HB2 -0.0089 0.0048 0.0005 137 LEU 8 HG -0.0090 0.0010 -0.0003 138 LEU 8 HD11 -0.0095 0.0008 -0.0010 139 LEU 8 HD12 -0.0083 0.0012 0.0008 140 LEU 8 HD13 -0.0092 0.0029 -0.0003 141 LEU 8 HD21 -0.0108 0.0017 -0.0027 142 LEU 8 HD22 -0.0106 0.0039 -0.0022 143 LEU 8 HD23 -0.0105 0.0029 -0.0022 144 ALA 9 N -0.0087 0.0008 0.0024 145 ALA 9 CA -0.0086 -0.0003 0.0031 146 ALA 9 C -0.0080 -0.0004 0.0032 147 ALA 9 O -0.0085 -0.0009 0.0035 148 ALA 9 CB -0.0079 -0.0009 0.0035 149 ALA 9 H -0.0083 0.0010 0.0023 150 ALA 9 HA -0.0096 -0.0007 0.0032 151 ALA 9 HB1 -0.0078 -0.0018 0.0040 152 ALA 9 HB2 -0.0083 -0.0009 0.0035 153 ALA 9 HB3 -0.0069 -0.0006 0.0034 154 ARG 10 N -0.0076 0.0022 0.0076 155 ARG 10 CA -0.0067 0.0019 0.0082 156 ARG 10 C -0.0078 0.0021 0.0075 157 ARG 10 O -0.0077 0.0013 0.0081 158 ARG 10 CB -0.0050 0.0032 0.0084 159 ARG 10 CG -0.0036 0.0029 0.0093 160 ARG 10 CD -0.0018 0.0040 0.0095 161 ARG 10 NE -0.0018 0.0057 0.0085 162 ARG 10 CZ -0.0014 0.0065 0.0082 163 ARG 10 NH1 -0.0009 0.0058 0.0089 164 ARG 10 NH2 -0.0014 0.0081 0.0072 165 ARG 10 H -0.0071 0.0033 0.0072 166 ARG 10 HA -0.0065 0.0007 0.0091 167 ARG 10 HB3 -0.0044 0.0032 0.0087 168 ARG 10 HB2 -0.0051 0.0044 0.0075 169 ARG 10 HG3 -0.0040 0.0030 0.0090 170 ARG 10 HG2 -0.0035 0.0016 0.0101 171 ARG 10 HD3 -0.0009 0.0036 0.0103 172 ARG 10 HD2 -0.0014 0.0039 0.0098 173 ARG 10 HE -0.0022 0.0063 0.0079 174 ARG 10 HH12 -0.0005 0.0064 0.0087 175 ARG 10 HH11 -0.0009 0.0046 0.0097 176 ARG 10 HH22 -0.0010 0.0088 0.0070 177 ARG 10 HH21 -0.0017 0.0087 0.0067 178 THR 11 N -0.0062 0.0026 0.0070 179 THR 11 CA -0.0060 0.0017 0.0069 180 THR 11 C -0.0059 0.0002 0.0059 181 THR 11 O -0.0054 -0.0010 0.0064 182 THR 11 CB -0.0065 0.0027 0.0064 183 THR 11 OG1 -0.0065 0.0040 0.0074 184 THR 11 CG2 -0.0063 0.0019 0.0063 185 THR 11 H -0.0067 0.0035 0.0064 186 THR 11 HA -0.0054 0.0015 0.0081 187 THR 11 HB -0.0070 0.0031 0.0054 188 THR 11 HG1 -0.0067 0.0046 0.0074 189 THR 11 HG21 -0.0066 0.0026 0.0060 190 THR 11 HG22 -0.0063 0.0009 0.0055 191 THR 11 HG23 -0.0057 0.0015 0.0073 192 LEU 12 N -0.0084 -0.0014 0.0035 193 LEU 12 CA -0.0082 -0.0024 0.0026 194 LEU 12 C -0.0079 -0.0030 0.0031 195 LEU 12 O -0.0076 -0.0041 0.0028 196 LEU 12 CB -0.0086 -0.0018 0.0014 197 LEU 12 CG -0.0089 -0.0014 0.0006 198 LEU 12 CD1 -0.0093 -0.0007 -0.0005 199 LEU 12 CD2 -0.0086 -0.0023 0.0002 200 LEU 12 H -0.0087 -0.0006 0.0033 201 LEU 12 HA -0.0080 -0.0031 0.0025 202 LEU 12 HB3 -0.0085 -0.0025 0.0007 203 LEU 12 HB2 -0.0088 -0.0011 0.0015 204 LEU 12 HG -0.0090 -0.0007 0.0012 205 LEU 12 HD11 -0.0095 -0.0004 -0.0010 206 LEU 12 HD12 -0.0095 0.0000 -0.0003 207 LEU 12 HD13 -0.0092 -0.0014 -0.0012 208 LEU 12 HD21 -0.0088 -0.0020 -0.0003 209 LEU 12 HD22 -0.0085 -0.0031 -0.0004 210 LEU 12 HD23 -0.0083 -0.0028 0.0011 211 LYS 13 N -0.0093 -0.0015 0.0050 212 LYS 13 CA -0.0091 -0.0020 0.0054 213 LYS 13 C -0.0086 -0.0027 0.0064 214 LYS 13 O -0.0083 -0.0034 0.0064 215 LYS 13 CB -0.0094 -0.0011 0.0058 216 LYS 13 CG -0.0092 -0.0015 0.0061 217 LYS 13 CD -0.0095 -0.0009 0.0058 218 LYS 13 CE -0.0092 -0.0014 0.0061 219 LYS 13 NZ -0.0094 -0.0011 0.0054 220 LYS 13 H -0.0096 -0.0008 0.0052 221 LYS 13 HA -0.0089 -0.0024 0.0048 222 LYS 13 HB3 -0.0095 -0.0006 0.0064 223 LYS 13 HB2 -0.0097 -0.0007 0.0051 224 LYS 13 HG3 -0.0089 -0.0023 0.0058 225 LYS 13 HG2 -0.0090 -0.0015 0.0070 226 LYS 13 HD3 -0.0098 -0.0001 0.0061 227 LYS 13 HD2 -0.0096 -0.0009 0.0049 228 LYS 13 HE3 -0.0089 -0.0022 0.0061 229 LYS 13 HE2 -0.0092 -0.0011 0.0069 230 LYS 13 HZ1 -0.0098 -0.0003 0.0054 231 LYS 13 HZ2 -0.0093 -0.0013 0.0057 232 LYS 13 HZ3 -0.0094 -0.0014 0.0047 233 ARG 14 N -0.0075 -0.0021 0.0097 234 ARG 14 CA -0.0081 -0.0043 0.0112 235 ARG 14 C -0.0082 -0.0070 0.0096 236 ARG 14 O -0.0088 -0.0091 0.0109 237 ARG 14 CB -0.0081 -0.0036 0.0118 238 ARG 14 CB -0.0081 -0.0034 0.0123 239 ARG 14 CG -0.0082 -0.0015 0.0140 240 ARG 14 CG -0.0082 -0.0013 0.0145 241 ARG 14 CD -0.0083 -0.0014 0.0150 242 ARG 14 CD -0.0088 -0.0022 0.0167 243 ARG 14 NE -0.0079 -0.0009 0.0129 244 ARG 14 NE -0.0090 -0.0007 0.0192 245 ARG 14 CZ -0.0074 0.0014 0.0121 246 ARG 14 CZ -0.0093 -0.0007 0.0209 247 ARG 14 NH1 -0.0072 0.0037 0.0132 248 ARG 14 NH1 -0.0090 0.0015 0.0213 249 ARG 14 NH2 -0.0070 0.0015 0.0100 250 ARG 14 NH2 -0.0099 -0.0029 0.0222 251 ARG 14 H -0.0071 -0.0007 0.0089 252 ARG 14 HA -0.0085 -0.0045 0.0130 253 ARG 14 HB3 -0.0085 -0.0054 0.0124 254 ARG 14 HB3 -0.0086 -0.0052 0.0130 255 ARG 14 HB2 -0.0077 -0.0030 0.0100 256 ARG 14 HB2 -0.0078 -0.0027 0.0107 257 ARG 14 HG3 -0.0078 0.0005 0.0134 258 ARG 14 HG3 -0.0083 -0.0009 0.0154 259 ARG 14 HG2 -0.0086 -0.0020 0.0157 260 ARG 14 HG2 -0.0078 0.0006 0.0137 261 ARG 14 HD3 -0.0084 0.0002 0.0166 262 ARG 14 HD3 -0.0086 -0.0021 0.0160 263 ARG 14 HD2 -0.0088 -0.0032 0.0160 264 ARG 14 HD2 -0.0092 -0.0043 0.0171 265 ARG 14 HE -0.0080 -0.0026 0.0119 266 ARG 14 HE -0.0089 0.0005 0.0196 267 ARG 14 HH12 -0.0069 0.0055 0.0126 268 ARG 14 HH12 -0.0093 0.0014 0.0226 269 ARG 14 HH11 -0.0075 0.0037 0.0147 270 ARG 14 HH11 -0.0086 0.0032 0.0203 271 ARG 14 HH22 -0.0066 0.0032 0.0093 272 ARG 14 HH22 -0.0101 -0.0029 0.0235 273 ARG 14 HH21 -0.0071 -0.0003 0.0091 274 ARG 14 HH21 -0.0101 -0.0046 0.0220 275 LEU 15 N -0.0048 -0.0034 0.0079 276 LEU 15 CA -0.0041 -0.0050 0.0069 277 LEU 15 C -0.0036 -0.0057 0.0054 278 LEU 15 O -0.0030 -0.0069 0.0043 279 LEU 15 CB -0.0043 -0.0045 0.0060 280 LEU 15 CG -0.0045 -0.0040 0.0074 281 LEU 15 CD1 -0.0049 -0.0032 0.0063 282 LEU 15 CD2 -0.0038 -0.0057 0.0086 283 LEU 15 H -0.0054 -0.0022 0.0073 284 LEU 15 HA -0.0036 -0.0061 0.0080 285 LEU 15 HB3 -0.0037 -0.0056 0.0051 286 LEU 15 HB2 -0.0047 -0.0034 0.0049 287 LEU 15 HG -0.0050 -0.0031 0.0084 288 LEU 15 HD11 -0.0051 -0.0027 0.0074 289 LEU 15 HD12 -0.0054 -0.0020 0.0055 290 LEU 15 HD13 -0.0044 -0.0041 0.0053 291 LEU 15 HD21 -0.0040 -0.0053 0.0096 292 LEU 15 HD22 -0.0033 -0.0067 0.0076 293 LEU 15 HD23 -0.0036 -0.0062 0.0095 294 GLY 16 N -0.0069 -0.0041 0.0054 295 GLY 16 CA -0.0064 -0.0041 0.0044 296 GLY 16 C -0.0058 -0.0035 0.0026 297 GLY 16 O -0.0051 -0.0040 0.0017 298 GLY 16 H -0.0077 -0.0033 0.0061 299 GLY 16 HA3 -0.0058 -0.0052 0.0047 300 GLY 16 HA2 -0.0070 -0.0034 0.0048 301 MET 17 N -0.0077 -0.0039 0.0015 302 MET 17 CA -0.0069 -0.0033 -0.0002 303 MET 17 C -0.0072 -0.0016 -0.0006 304 MET 17 O -0.0065 -0.0013 -0.0020 305 MET 17 CB -0.0068 -0.0028 -0.0006 306 MET 17 CG -0.0062 -0.0044 -0.0006 307 MET 17 SD -0.0049 -0.0055 -0.0023 308 MET 17 CE -0.0044 -0.0051 -0.0034 309 MET 17 H -0.0082 -0.0036 0.0022 310 MET 17 HA -0.0062 -0.0042 -0.0008 311 MET 17 HB3 -0.0064 -0.0020 -0.0018 312 MET 17 HB2 -0.0075 -0.0020 0.0002 313 MET 17 HG3 -0.0063 -0.0041 -0.0007 314 MET 17 HG2 -0.0066 -0.0054 0.0004 315 MET 17 HE1 -0.0035 -0.0056 -0.0045 316 MET 17 HE2 -0.0045 -0.0057 -0.0028 317 MET 17 HE3 -0.0047 -0.0037 -0.0036 318 ASP 18 N -0.0093 -0.0014 0.0006 319 ASP 18 CA -0.0095 -0.0008 0.0004 320 ASP 18 C -0.0093 -0.0005 0.0002 321 ASP 18 O -0.0095 -0.0006 0.0003 322 ASP 18 CB -0.0101 -0.0007 0.0005 323 ASP 18 CG -0.0103 -0.0001 0.0003 324 ASP 18 OD1 -0.0100 0.0002 0.0001 325 ASP 18 OD2 -0.0108 0.0001 0.0004 326 ASP 18 H -0.0096 -0.0016 0.0008 327 ASP 18 HA -0.0092 -0.0006 0.0002 328 ASP 18 HB3 -0.0103 -0.0008 0.0007 329 ASP 18 HB2 -0.0102 -0.0009 0.0007 330 GLY 19 N -0.0084 0.0030 -0.0050 331 GLY 19 CA -0.0070 0.0053 -0.0060 332 GLY 19 C -0.0047 0.0054 -0.0052 333 GLY 19 O -0.0036 0.0073 -0.0060 334 GLY 19 H -0.0079 0.0023 -0.0044 335 GLY 19 HA3 -0.0083 0.0062 -0.0072 336 GLY 19 HA2 -0.0064 0.0061 -0.0063 337 TYR 20 N -0.0056 0.0041 -0.0065 338 TYR 20 CA -0.0038 0.0029 -0.0062 339 TYR 20 C -0.0019 0.0035 -0.0074 340 TYR 20 O -0.0015 0.0036 -0.0076 341 TYR 20 CB -0.0037 0.0010 -0.0049 342 TYR 20 CG -0.0020 -0.0004 -0.0045 343 TYR 20 CD1 -0.0024 -0.0012 -0.0037 344 TYR 20 CD2 -0.0000 -0.0007 -0.0049 345 TYR 20 CE1 -0.0008 -0.0023 -0.0035 346 TYR 20 CE2 0.0016 -0.0019 -0.0047 347 TYR 20 CZ 0.0012 -0.0026 -0.0040 348 TYR 20 OH 0.0027 -0.0037 -0.0038 349 TYR 20 H -0.0065 0.0037 -0.0058 350 TYR 20 HA -0.0039 0.0028 -0.0062 351 TYR 20 HB3 -0.0036 0.0009 -0.0049 352 TYR 20 HB2 -0.0052 0.0006 -0.0040 353 TYR 20 HD1 -0.0039 -0.0009 -0.0034 354 TYR 20 HD2 0.0003 -0.0001 -0.0055 355 TYR 20 HE1 -0.0011 -0.0029 -0.0029 356 TYR 20 HE2 0.0031 -0.0021 -0.0051 357 TYR 20 HH 0.0023 -0.0040 -0.0033 358 ARG 21 N -0.0040 0.0105 -0.0128 359 ARG 21 CA 0.0002 0.0129 -0.0133 360 ARG 21 C -0.0001 0.0158 -0.0146 361 ARG 21 O 0.0032 0.0169 -0.0146 362 ARG 21 CB 0.0042 0.0102 -0.0114 363 ARG 21 CG 0.0057 0.0088 -0.0105 364 ARG 21 CD 0.0089 0.0120 -0.0115 365 ARG 21 NE 0.0131 0.0122 -0.0110 366 ARG 21 CZ 0.0163 0.0153 -0.0119 367 ARG 21 NH1 0.0159 0.0186 -0.0135 368 ARG 21 NH2 0.0199 0.0149 -0.0112 369 ARG 21 H -0.0056 0.0112 -0.0133 370 ARG 21 HA 0.0007 0.0150 -0.0141 371 ARG 21 HB3 0.0071 0.0117 -0.0117 372 ARG 21 HB2 0.0035 0.0075 -0.0103 373 ARG 21 HG3 0.0073 0.0060 -0.0090 374 ARG 21 HG2 0.0028 0.0081 -0.0107 375 ARG 21 HD3 0.0095 0.0111 -0.0110 376 ARG 21 HD2 0.0075 0.0149 -0.0131 377 ARG 21 HE 0.0138 0.0098 -0.0097 378 ARG 21 HH12 0.0184 0.0209 -0.0141 379 ARG 21 HH11 0.0132 0.0188 -0.0140 380 ARG 21 HH22 0.0224 0.0172 -0.0118 381 ARG 21 HH21 0.0203 0.0124 -0.0099 382 GLY 22 N 0.0007 0.0111 -0.0104 383 GLY 22 CA -0.0008 0.0106 -0.0118 384 GLY 22 C -0.0023 0.0061 -0.0099 385 GLY 22 O -0.0035 0.0055 -0.0108 386 GLY 22 H -0.0009 0.0107 -0.0121 387 GLY 22 HA3 0.0011 0.0129 -0.0114 388 GLY 22 HA2 -0.0030 0.0114 -0.0150 389 ILE 23 N -0.0046 0.0031 -0.0075 390 ILE 23 CA -0.0055 0.0023 -0.0068 391 ILE 23 C -0.0076 0.0019 -0.0065 392 ILE 23 O -0.0079 0.0011 -0.0057 393 ILE 23 CB -0.0044 0.0011 -0.0053 394 ILE 23 CG1 -0.0022 0.0015 -0.0055 395 ILE 23 CG2 -0.0052 0.0003 -0.0044 396 ILE 23 CD1 -0.0009 0.0004 -0.0041 397 ILE 23 H -0.0040 0.0026 -0.0069 398 ILE 23 HA -0.0055 0.0029 -0.0074 399 ILE 23 HB -0.0044 0.0005 -0.0046 400 ILE 23 HG13 -0.0016 0.0023 -0.0063 401 ILE 23 HG12 -0.0020 0.0019 -0.0058 402 ILE 23 HG21 -0.0045 -0.0006 -0.0034 403 ILE 23 HG22 -0.0067 -0.0000 -0.0043 404 ILE 23 HG23 -0.0051 0.0008 -0.0050 405 ILE 23 HD11 0.0006 0.0007 -0.0042 406 ILE 23 HD12 -0.0010 0.0001 -0.0037 407 ILE 23 HD13 -0.0014 -0.0005 -0.0032 408 SER 24 N -0.0110 0.0003 0.0020 409 SER 24 CA -0.0107 -0.0008 0.0008 410 SER 24 C -0.0103 -0.0018 0.0001 411 SER 24 O -0.0100 -0.0020 0.0008 412 SER 24 CB -0.0100 -0.0015 0.0015 413 SER 24 OG -0.0092 -0.0024 0.0024 414 SER 24 H -0.0106 0.0002 0.0031 415 SER 24 HA -0.0113 -0.0003 -0.0001 416 SER 24 HB3 -0.0103 -0.0008 0.0021 417 SER 24 HB2 -0.0100 -0.0021 0.0005 418 SER 24 HG -0.0088 -0.0029 0.0027 419 LEU 25 N -0.0115 -0.0033 0.0019 420 LEU 25 CA -0.0115 -0.0029 0.0019 421 LEU 25 C -0.0117 -0.0026 0.0017 422 LEU 25 O -0.0118 -0.0023 0.0016 423 LEU 25 CB -0.0111 -0.0027 0.0022 424 LEU 25 CB -0.0111 -0.0027 0.0022 425 LEU 25 CG -0.0110 -0.0023 0.0023 426 LEU 25 CG -0.0109 -0.0028 0.0024 427 LEU 25 CD1 -0.0111 -0.0022 0.0022 428 LEU 25 CD1 -0.0106 -0.0025 0.0026 429 LEU 25 CD2 -0.0107 -0.0022 0.0025 430 LEU 25 CD2 -0.0110 -0.0026 0.0022 431 LEU 25 H -0.0113 -0.0034 0.0021 432 LEU 25 HA -0.0115 -0.0028 0.0018 433 LEU 25 HB3 -0.0110 -0.0028 0.0023 434 LEU 25 HB3 -0.0112 -0.0024 0.0022 435 LEU 25 HB2 -0.0110 -0.0029 0.0023 436 LEU 25 HB2 -0.0110 -0.0029 0.0022 437 LEU 25 HG -0.0112 -0.0021 0.0022 438 LEU 25 HG -0.0109 -0.0031 0.0024 439 LEU 25 HD11 -0.0110 -0.0018 0.0023 440 LEU 25 HD11 -0.0104 -0.0026 0.0027 441 LEU 25 HD12 -0.0114 -0.0022 0.0020 442 LEU 25 HD12 -0.0105 -0.0027 0.0027 443 LEU 25 HD13 -0.0110 -0.0024 0.0023 444 LEU 25 HD13 -0.0106 -0.0022 0.0026 445 LEU 25 HD21 -0.0106 -0.0019 0.0026 446 LEU 25 HD21 -0.0109 -0.0026 0.0024 447 LEU 25 HD22 -0.0105 -0.0024 0.0027 448 LEU 25 HD22 -0.0111 -0.0022 0.0022 449 LEU 25 HD23 -0.0106 -0.0023 0.0026 450 LEU 25 HD23 -0.0113 -0.0027 0.0021 451 ALA 26 N -0.0144 -0.0056 0.0051 452 ALA 26 CA -0.0123 -0.0064 0.0058 453 ALA 26 C -0.0131 -0.0061 0.0064 454 ALA 26 O -0.0117 -0.0066 0.0058 455 ALA 26 CB -0.0112 -0.0070 0.0083 456 ALA 26 H -0.0148 -0.0055 0.0064 457 ALA 26 HA -0.0109 -0.0068 0.0043 458 ALA 26 HB1 -0.0095 -0.0076 0.0089 459 ALA 26 HB2 -0.0107 -0.0071 0.0081 460 ALA 26 HB3 -0.0125 -0.0066 0.0100 461 ASN 27 N -0.0100 -0.0053 0.0022 462 ASN 27 CA -0.0100 -0.0052 0.0026 463 ASN 27 C -0.0107 -0.0056 0.0010 464 ASN 27 O -0.0100 -0.0059 0.0008 465 ASN 27 CB -0.0112 -0.0042 0.0040 466 ASN 27 CG -0.0102 -0.0038 0.0058 467 ASN 27 OD1 -0.0090 -0.0040 0.0062 468 ASN 27 ND2 -0.0107 -0.0032 0.0069 469 ASN 27 H -0.0111 -0.0049 0.0025 470 ASN 27 HA -0.0087 -0.0054 0.0030 471 ASN 27 HB3 -0.0120 -0.0040 0.0038 472 ASN 27 HB2 -0.0123 -0.0039 0.0040 473 ASN 27 HD22 -0.0100 -0.0029 0.0081 474 ASN 27 HD21 -0.0116 -0.0030 0.0066 475 TRP 28 N -0.0096 -0.0025 -0.0045 476 TRP 28 CA -0.0091 -0.0036 -0.0033 477 TRP 28 C -0.0101 -0.0042 -0.0024 478 TRP 28 O -0.0096 -0.0051 -0.0016 479 TRP 28 CB -0.0094 -0.0040 -0.0028 480 TRP 28 CG -0.0082 -0.0038 -0.0032 481 TRP 28 CD1 -0.0084 -0.0031 -0.0039 482 TRP 28 CD2 -0.0066 -0.0042 -0.0030 483 TRP 28 NE1 -0.0071 -0.0031 -0.0041 484 TRP 28 CE2 -0.0059 -0.0038 -0.0036 485 TRP 28 CE3 -0.0056 -0.0049 -0.0023 486 TRP 28 CZ2 -0.0044 -0.0041 -0.0035 487 TRP 28 CZ3 -0.0041 -0.0053 -0.0022 488 TRP 28 CH2 -0.0034 -0.0049 -0.0028 489 TRP 28 H -0.0102 -0.0021 -0.0047 490 TRP 28 HA -0.0079 -0.0038 -0.0032 491 TRP 28 HB3 -0.0094 -0.0048 -0.0019 492 TRP 28 HB2 -0.0105 -0.0036 -0.0030 493 TRP 28 HD1 -0.0095 -0.0027 -0.0042 494 TRP 28 HE1 -0.0070 -0.0027 -0.0046 495 TRP 28 HE3 -0.0061 -0.0053 -0.0019 496 TRP 28 HZ2 -0.0039 -0.0038 -0.0039 497 TRP 28 HZ3 -0.0033 -0.0058 -0.0017 498 TRP 28 HH2 -0.0022 -0.0051 -0.0027 499 MET 29 N -0.0120 -0.0054 0.0003 500 MET 29 CA -0.0114 -0.0046 -0.0001 501 MET 29 C -0.0114 -0.0043 -0.0006 502 MET 29 O -0.0113 -0.0037 -0.0013 503 MET 29 CB -0.0106 -0.0044 0.0007 504 MET 29 CG -0.0104 -0.0044 0.0011 505 MET 29 SD -0.0102 -0.0037 0.0003 506 MET 29 CE -0.0095 -0.0029 0.0001 507 MET 29 H -0.0118 -0.0057 0.0009 508 MET 29 HA -0.0115 -0.0044 -0.0005 509 MET 29 HB3 -0.0102 -0.0038 0.0005 510 MET 29 HB2 -0.0106 -0.0047 0.0012 511 MET 29 HG3 -0.0099 -0.0043 0.0017 512 MET 29 HG2 -0.0108 -0.0049 0.0013 513 MET 29 HE1 -0.0093 -0.0024 -0.0003 514 MET 29 HE2 -0.0090 -0.0028 0.0007 515 MET 29 HE3 -0.0097 -0.0028 -0.0002 516 CYS 30 N -0.0092 -0.0085 -0.0002 517 CYS 30 CA -0.0080 -0.0087 0.0009 518 CYS 30 C -0.0090 -0.0085 0.0001 519 CYS 30 O -0.0078 -0.0090 -0.0004 520 CYS 30 CB -0.0080 -0.0084 0.0035 521 CYS 30 SG -0.0063 -0.0089 0.0049 522 CYS 30 H -0.0101 -0.0080 0.0008 523 CYS 30 HA -0.0064 -0.0094 0.0004 524 CYS 30 HB3 -0.0096 -0.0078 0.0041 525 CYS 30 HB2 -0.0074 -0.0086 0.0039 526 LEU 31 N -0.0077 -0.0070 -0.0043 527 LEU 31 CA -0.0074 -0.0072 -0.0041 528 LEU 31 C -0.0075 -0.0074 -0.0038 529 LEU 31 O -0.0074 -0.0076 -0.0037 530 LEU 31 CB -0.0072 -0.0072 -0.0041 531 LEU 31 CG -0.0068 -0.0074 -0.0040 532 LEU 31 CD1 -0.0065 -0.0073 -0.0041 533 LEU 31 CD2 -0.0067 -0.0074 -0.0040 534 LEU 31 H -0.0078 -0.0069 -0.0043 535 LEU 31 HA -0.0073 -0.0071 -0.0042 536 LEU 31 HB3 -0.0074 -0.0072 -0.0041 537 LEU 31 HB2 -0.0071 -0.0070 -0.0044 538 LEU 31 HG -0.0069 -0.0076 -0.0038 539 LEU 31 HD11 -0.0063 -0.0075 -0.0039 540 LEU 31 HD12 -0.0067 -0.0073 -0.0041 541 LEU 31 HD13 -0.0064 -0.0071 -0.0043 542 LEU 31 HD21 -0.0065 -0.0076 -0.0038 543 LEU 31 HD22 -0.0065 -0.0072 -0.0042 544 LEU 31 HD23 -0.0069 -0.0074 -0.0039 545 ALA 32 N -0.0114 -0.0039 -0.0060 546 ALA 32 CA -0.0110 -0.0026 -0.0067 547 ALA 32 C -0.0105 -0.0015 -0.0072 548 ALA 32 O -0.0106 -0.0004 -0.0081 549 ALA 32 CB -0.0099 -0.0026 -0.0059 550 ALA 32 H -0.0109 -0.0045 -0.0052 551 ALA 32 HA -0.0118 -0.0026 -0.0074 552 ALA 32 HB1 -0.0096 -0.0017 -0.0063 553 ALA 32 HB2 -0.0103 -0.0034 -0.0056 554 ALA 32 HB3 -0.0091 -0.0027 -0.0052 555 LYS 33 N -0.0117 -0.0037 -0.0040 556 LYS 33 CA -0.0092 -0.0049 -0.0042 557 LYS 33 C -0.0096 -0.0050 -0.0030 558 LYS 33 O -0.0084 -0.0053 -0.0043 559 LYS 33 CB -0.0074 -0.0063 -0.0024 560 LYS 33 CG -0.0046 -0.0077 -0.0029 561 LYS 33 CD -0.0038 -0.0086 -0.0008 562 LYS 33 CE -0.0016 -0.0095 -0.0020 563 LYS 33 NZ 0.0008 -0.0105 -0.0028 564 LYS 33 H -0.0120 -0.0038 -0.0026 565 LYS 33 HA -0.0084 -0.0049 -0.0063 566 LYS 33 HB3 -0.0081 -0.0064 -0.0001 567 LYS 33 HB2 -0.0075 -0.0061 -0.0029 568 LYS 33 HG3 -0.0034 -0.0083 -0.0028 569 LYS 33 HG2 -0.0042 -0.0074 -0.0050 570 LYS 33 HD3 -0.0054 -0.0079 -0.0001 571 LYS 33 HD2 -0.0033 -0.0092 0.0012 572 LYS 33 HE3 -0.0021 -0.0088 -0.0038 573 LYS 33 HE2 -0.0011 -0.0100 -0.0005 574 LYS 33 HZ1 0.0004 -0.0100 -0.0043 575 LYS 33 HZ2 0.0013 -0.0112 -0.0011 576 LYS 33 HZ3 0.0022 -0.0111 -0.0037 577 TRP 34 N -0.0049 -0.0087 -0.0050 578 TRP 34 CA -0.0047 -0.0090 -0.0032 579 TRP 34 C -0.0076 -0.0075 -0.0046 580 TRP 34 O -0.0072 -0.0077 -0.0040 581 TRP 34 CB -0.0051 -0.0092 0.0013 582 TRP 34 CG -0.0018 -0.0109 0.0030 583 TRP 34 CD1 -0.0015 -0.0112 0.0048 584 TRP 34 CD2 0.0019 -0.0126 0.0029 585 TRP 34 NE1 0.0020 -0.0129 0.0057 586 TRP 34 CE2 0.0042 -0.0138 0.0046 587 TRP 34 CE3 0.0034 -0.0132 0.0015 588 TRP 34 CZ2 0.0079 -0.0156 0.0049 589 TRP 34 CZ3 0.0071 -0.0149 0.0018 590 TRP 34 CH2 0.0094 -0.0161 0.0034 591 TRP 34 H -0.0063 -0.0082 -0.0036 592 TRP 34 HA -0.0022 -0.0101 -0.0039 593 TRP 34 HB3 -0.0056 -0.0091 0.0027 594 TRP 34 HB2 -0.0074 -0.0082 0.0021 595 TRP 34 HD1 -0.0037 -0.0102 0.0053 596 TRP 34 HE1 0.0029 -0.0134 0.0069 597 TRP 34 HE3 0.0017 -0.0122 0.0002 598 TRP 34 HZ2 0.0097 -0.0165 0.0061 599 TRP 34 HZ3 0.0082 -0.0153 0.0007 600 TRP 34 HH2 0.0122 -0.0174 0.0036 601 GLU 35 N -0.0084 -0.0024 -0.0093 602 GLU 35 CA -0.0088 -0.0024 -0.0097 603 GLU 35 C -0.0087 -0.0007 -0.0093 604 GLU 35 O -0.0095 -0.0000 -0.0100 605 GLU 35 CB -0.0080 -0.0037 -0.0091 606 GLU 35 CG -0.0083 -0.0055 -0.0096 607 GLU 35 CD -0.0096 -0.0059 -0.0109 608 GLU 35 OE1 -0.0103 -0.0048 -0.0114 609 GLU 35 OE2 -0.0099 -0.0074 -0.0113 610 GLU 35 H -0.0076 -0.0029 -0.0085 611 GLU 35 HA -0.0098 -0.0026 -0.0106 612 GLU 35 HB3 -0.0081 -0.0034 -0.0091 613 GLU 35 HB2 -0.0071 -0.0036 -0.0082 614 GLU 35 HG3 -0.0077 -0.0064 -0.0091 615 GLU 35 HG2 -0.0083 -0.0058 -0.0096 616 SER 36 N -0.0174 0.0037 -0.0139 617 SER 36 CA -0.0166 0.0065 -0.0132 618 SER 36 C -0.0156 0.0087 -0.0124 619 SER 36 O -0.0155 0.0113 -0.0121 620 SER 36 CB -0.0150 0.0058 -0.0120 621 SER 36 OG -0.0127 0.0050 -0.0103 622 SER 36 H -0.0161 0.0025 -0.0131 623 SER 36 HA -0.0182 0.0076 -0.0144 624 SER 36 HB3 -0.0156 0.0041 -0.0126 625 SER 36 HB2 -0.0148 0.0078 -0.0118 626 SER 36 HG -0.0127 0.0031 -0.0105 627 GLY 37 N -0.0136 0.0062 -0.0098 628 GLY 37 CA -0.0132 0.0081 -0.0085 629 GLY 37 C -0.0120 0.0079 -0.0063 630 GLY 37 O -0.0117 0.0096 -0.0052 631 GLY 37 H -0.0136 0.0050 -0.0102 632 GLY 37 HA3 -0.0137 0.0096 -0.0090 633 GLY 37 HA2 -0.0133 0.0081 -0.0086 634 TYR 38 N -0.0163 0.0070 -0.0067 635 TYR 38 CA -0.0136 0.0073 -0.0057 636 TYR 38 C -0.0135 0.0100 -0.0059 637 TYR 38 O -0.0112 0.0110 -0.0051 638 TYR 38 CB -0.0109 0.0070 -0.0047 639 TYR 38 CG -0.0108 0.0044 -0.0044 640 TYR 38 CD1 -0.0116 0.0014 -0.0044 641 TYR 38 CD2 -0.0098 0.0048 -0.0040 642 TYR 38 CE1 -0.0114 -0.0011 -0.0041 643 TYR 38 CE2 -0.0096 0.0024 -0.0037 644 TYR 38 CZ -0.0104 -0.0006 -0.0037 645 TYR 38 OH -0.0102 -0.0030 -0.0034 646 TYR 38 H -0.0178 0.0055 -0.0071 647 TYR 38 HA -0.0137 0.0053 -0.0055 648 TYR 38 HB3 -0.0091 0.0068 -0.0040 649 TYR 38 HB2 -0.0106 0.0092 -0.0047 650 TYR 38 HD1 -0.0124 0.0010 -0.0046 651 TYR 38 HD2 -0.0092 0.0071 -0.0040 652 TYR 38 HE1 -0.0120 -0.0033 -0.0041 653 TYR 38 HE2 -0.0089 0.0027 -0.0035 654 TYR 38 HH -0.0108 -0.0049 -0.0035 655 ASN 39 N -0.0163 0.0126 -0.0067 656 ASN 39 CA -0.0160 0.0155 -0.0044 657 ASN 39 C -0.0138 0.0132 -0.0044 658 ASN 39 O -0.0152 0.0111 -0.0070 659 ASN 39 CB -0.0203 0.0181 -0.0057 660 ASN 39 CG -0.0206 0.0216 -0.0034 661 ASN 39 OD1 -0.0179 0.0228 -0.0005 662 ASN 39 ND2 -0.0241 0.0232 -0.0048 663 ASN 39 H -0.0186 0.0117 -0.0091 664 ASN 39 HA -0.0145 0.0174 -0.0019 665 ASN 39 HB3 -0.0218 0.0162 -0.0082 666 ASN 39 HB2 -0.0219 0.0193 -0.0060 667 ASN 39 HD22 -0.0244 0.0254 -0.0034 668 ASN 39 HD21 -0.0263 0.0221 -0.0072 669 THR 40 N -0.0133 0.0152 -0.0030 670 THR 40 CA -0.0113 0.0128 -0.0026 671 THR 40 C -0.0119 0.0134 -0.0029 672 THR 40 O -0.0106 0.0114 -0.0034 673 THR 40 CB -0.0090 0.0123 0.0008 674 THR 40 OG1 -0.0094 0.0147 0.0035 675 THR 40 CG2 -0.0082 0.0117 0.0014 676 THR 40 H -0.0133 0.0166 -0.0010 677 THR 40 HA -0.0107 0.0108 -0.0045 678 THR 40 HB -0.0075 0.0104 0.0009 679 THR 40 HG1 -0.0078 0.0140 0.0053 680 THR 40 HG21 -0.0065 0.0111 0.0037 681 THR 40 HG22 -0.0078 0.0098 -0.0005 682 THR 40 HG23 -0.0096 0.0136 0.0016 683 ARG 41 N -0.0119 0.0162 -0.0031 684 ARG 41 CA -0.0137 0.0188 -0.0007 685 ARG 41 C -0.0179 0.0179 -0.0041 686 ARG 41 O -0.0197 0.0198 -0.0026 687 ARG 41 CB -0.0164 0.0229 0.0031 688 ARG 41 CB -0.0162 0.0229 0.0032 689 ARG 41 CG -0.0164 0.0260 0.0071 690 ARG 41 CG -0.0224 0.0245 0.0019 691 ARG 41 CD -0.0203 0.0301 0.0101 692 ARG 41 CD -0.0249 0.0258 0.0023 693 ARG 41 NE -0.0238 0.0319 0.0105 694 ARG 41 NE -0.0294 0.0245 -0.0017 695 ARG 41 CZ -0.0225 0.0337 0.0136 696 ARG 41 CZ -0.0303 0.0236 -0.0034 697 ARG 41 NH1 -0.0177 0.0343 0.0168 698 ARG 41 NH1 -0.0274 0.0241 -0.0012 699 ARG 41 NH2 -0.0259 0.0349 0.0133 700 ARG 41 NH2 -0.0340 0.0221 -0.0073 701 ARG 41 H -0.0140 0.0169 -0.0032 702 ARG 41 HA -0.0102 0.0186 0.0010 703 ARG 41 HB3 -0.0206 0.0234 0.0015 704 ARG 41 HB3 -0.0145 0.0233 0.0046 705 ARG 41 HB2 -0.0143 0.0232 0.0046 706 ARG 41 HB2 -0.0148 0.0245 0.0059 707 ARG 41 HG3 -0.0122 0.0260 0.0093 708 ARG 41 HG3 -0.0238 0.0223 -0.0016 709 ARG 41 HG2 -0.0172 0.0254 0.0058 710 ARG 41 HG2 -0.0238 0.0269 0.0042 711 ARG 41 HD3 -0.0230 0.0300 0.0086 712 ARG 41 HD3 -0.0264 0.0290 0.0054 713 ARG 41 HD2 -0.0181 0.0319 0.0135 714 ARG 41 HD2 -0.0218 0.0249 0.0028 715 ARG 41 HE -0.0274 0.0315 0.0081 716 ARG 41 HE -0.0319 0.0244 -0.0032 717 ARG 41 HH12 -0.0168 0.0357 0.0191 718 ARG 41 HH12 -0.0281 0.0234 -0.0025 719 ARG 41 HH11 -0.0151 0.0334 0.0171 720 ARG 41 HH11 -0.0245 0.0253 0.0018 721 ARG 41 HH22 -0.0250 0.0363 0.0155 722 ARG 41 HH22 -0.0346 0.0213 -0.0086 723 ARG 41 HH21 -0.0295 0.0345 0.0108 724 ARG 41 HH21 -0.0363 0.0216 -0.0091 725 ALA 42 N -0.0167 0.0118 -0.0080 726 ALA 42 CA -0.0190 0.0116 -0.0121 727 ALA 42 C -0.0180 0.0088 -0.0140 728 ALA 42 O -0.0154 0.0058 -0.0136 729 ALA 42 CB -0.0195 0.0104 -0.0144 730 ALA 42 H -0.0158 0.0112 -0.0074 731 ALA 42 HA -0.0212 0.0142 -0.0122 732 ALA 42 HB1 -0.0212 0.0102 -0.0176 733 ALA 42 HB2 -0.0204 0.0125 -0.0133 734 ALA 42 HB3 -0.0174 0.0079 -0.0143 735 THR 43 N -0.0157 0.0048 -0.0173 736 THR 43 CA -0.0140 0.0037 -0.0182 737 THR 43 C -0.0159 0.0042 -0.0207 738 THR 43 O -0.0186 0.0056 -0.0204 739 THR 43 CB -0.0127 0.0036 -0.0152 740 THR 43 OG1 -0.0149 0.0051 -0.0134 741 THR 43 CG2 -0.0104 0.0030 -0.0130 742 THR 43 H -0.0179 0.0059 -0.0170 743 THR 43 HA -0.0122 0.0025 -0.0195 744 THR 43 HB -0.0115 0.0028 -0.0162 745 THR 43 HG1 -0.0162 0.0055 -0.0148 746 THR 43 HG21 -0.0094 0.0028 -0.0111 747 THR 43 HG22 -0.0087 0.0018 -0.0143 748 THR 43 HG23 -0.0114 0.0037 -0.0118 749 ASN 44 N -0.0140 -0.0072 -0.0162 750 ASN 44 CA -0.0133 -0.0070 -0.0157 751 ASN 44 C -0.0105 -0.0060 -0.0144 752 ASN 44 O -0.0090 -0.0044 -0.0157 753 ASN 44 CB -0.0142 -0.0062 -0.0182 754 ASN 44 CG -0.0135 -0.0060 -0.0179 755 ASN 44 OD1 -0.0145 -0.0073 -0.0164 756 ASN 44 ND2 -0.0119 -0.0043 -0.0191 757 ASN 44 H -0.0127 -0.0060 -0.0169 758 ASN 44 HA -0.0143 -0.0084 -0.0143 759 ASN 44 HB3 -0.0134 -0.0049 -0.0197 760 ASN 44 HB2 -0.0162 -0.0070 -0.0190 761 ASN 44 HD22 -0.0113 -0.0041 -0.0189 762 ASN 44 HD21 -0.0111 -0.0032 -0.0202 763 TYR 45 N 0.0099 -0.0268 -0.0133 764 TYR 45 CA 0.0125 -0.0233 -0.0091 765 TYR 45 C 0.0198 -0.0186 -0.0004 766 TYR 45 O 0.0267 -0.0232 0.0025 767 TYR 45 CB 0.0163 -0.0323 -0.0112 768 TYR 45 CG 0.0193 -0.0296 -0.0072 769 TYR 45 CD1 0.0132 -0.0226 -0.0081 770 TYR 45 CD2 0.0282 -0.0338 -0.0024 771 TYR 45 CE1 0.0159 -0.0199 -0.0044 772 TYR 45 CE2 0.0309 -0.0311 0.0014 773 TYR 45 CZ 0.0248 -0.0241 0.0004 774 TYR 45 OH 0.0274 -0.0216 0.0040 775 TYR 45 H 0.0133 -0.0338 -0.0145 776 TYR 45 HA 0.0068 -0.0179 -0.0107 777 TYR 45 HB3 0.0219 -0.0380 -0.0099 778 TYR 45 HB2 0.0112 -0.0359 -0.0174 779 TYR 45 HD1 0.0064 -0.0192 -0.0117 780 TYR 45 HD2 0.0330 -0.0391 -0.0015 781 TYR 45 HE1 0.0111 -0.0145 -0.0052 782 TYR 45 HE2 0.0378 -0.0344 0.0051 783 TYR 45 HH 0.0226 -0.0171 0.0027 784 ASN 46 N 0.0133 -0.0239 0.0000 785 ASN 46 CA 0.0176 -0.0198 0.0071 786 ASN 46 C 0.0215 -0.0190 0.0130 787 ASN 46 O 0.0206 -0.0129 0.0129 788 ASN 46 CB 0.0151 -0.0102 0.0057 789 ASN 46 CG 0.0109 -0.0106 -0.0006 790 ASN 46 OD1 0.0121 -0.0144 0.0004 791 ASN 46 ND2 0.0058 -0.0069 -0.0070 792 ASN 46 H 0.0106 -0.0196 -0.0029 793 ASN 46 HA 0.0195 -0.0241 0.0090 794 ASN 46 HB3 0.0183 -0.0070 0.0109 795 ASN 46 HB2 0.0134 -0.0057 0.0041 796 ASN 46 HD22 0.0029 -0.0073 -0.0114 797 ASN 46 HD21 0.0050 -0.0038 -0.0076 798 ALA 47 N 0.0363 -0.0299 0.0275 799 ALA 47 CA 0.0394 -0.0312 0.0300 800 ALA 47 C 0.0388 -0.0207 0.0435 801 ALA 47 O 0.0374 -0.0185 0.0445 802 ALA 47 CB 0.0525 -0.0437 0.0310 803 ALA 47 H 0.0432 -0.0364 0.0281 804 ALA 47 HA 0.0329 -0.0312 0.0210 805 ALA 47 HB1 0.0552 -0.0453 0.0326 806 ALA 47 HB2 0.0531 -0.0514 0.0213 807 ALA 47 HB3 0.0593 -0.0442 0.0399 808 GLY 48 N 0.0383 -0.0264 0.0531 809 GLY 48 CA 0.0357 -0.0195 0.0655 810 GLY 48 C 0.0235 -0.0098 0.0651 811 GLY 48 O 0.0205 -0.0045 0.0726 812 GLY 48 H 0.0411 -0.0289 0.0524 813 GLY 48 HA3 0.0391 -0.0194 0.0728 814 GLY 48 HA2 0.0399 -0.0215 0.0690 815 ASP 49 N 0.0104 -0.0104 0.0394 816 ASP 49 CA 0.0068 0.0002 0.0367 817 ASP 49 C 0.0050 0.0031 0.0278 818 ASP 49 O 0.0019 0.0120 0.0257 819 ASP 49 CB 0.0058 0.0026 0.0348 820 ASP 49 CG 0.0061 -0.0015 0.0247 821 ASP 49 OD1 0.0076 -0.0080 0.0193 822 ASP 49 OD2 0.0046 0.0024 0.0221 823 ASP 49 H 0.0114 -0.0156 0.0336 824 ASP 49 HA 0.0059 0.0049 0.0433 825 ASP 49 HB3 0.0073 0.0000 0.0414 826 ASP 49 HB2 0.0033 0.0108 0.0350 827 ARG 50 N 0.0071 -0.0053 0.0249 828 ARG 50 CA 0.0054 -0.0039 0.0137 829 ARG 50 C 0.0030 -0.0014 0.0007 830 ARG 50 O 0.0006 0.0020 -0.0088 831 ARG 50 CB 0.0021 0.0046 0.0170 832 ARG 50 CG 0.0051 0.0003 0.0286 833 ARG 50 CD 0.0017 0.0091 0.0323 834 ARG 50 NE 0.0002 0.0157 0.0449 835 ARG 50 CZ -0.0008 0.0200 0.0535 836 ARG 50 NH1 -0.0006 0.0189 0.0512 837 ARG 50 NH2 -0.0021 0.0257 0.0648 838 ARG 50 H 0.0110 -0.0140 0.0275 839 ARG 50 HA 0.0091 -0.0130 0.0120 840 ARG 50 HB3 0.0010 0.0050 0.0084 841 ARG 50 HB2 -0.0017 0.0139 0.0190 842 ARG 50 HG3 0.0065 -0.0010 0.0372 843 ARG 50 HG2 0.0086 -0.0087 0.0261 844 ARG 50 HD3 0.0040 0.0038 0.0332 845 ARG 50 HD2 -0.0019 0.0157 0.0246 846 ARG 50 HE -0.0002 0.0171 0.0471 847 ARG 50 HH12 -0.0013 0.0223 0.0577 848 ARG 50 HH11 0.0004 0.0147 0.0427 849 ARG 50 HH22 -0.0028 0.0291 0.0714 850 ARG 50 HH21 -0.0022 0.0266 0.0668 851 SER 51 N 0.0033 -0.0005 0.0007 852 SER 51 CA 0.0025 -0.0001 -0.0053 853 SER 51 C 0.0040 -0.0061 -0.0089 854 SER 51 O 0.0057 -0.0107 -0.0063 855 SER 51 CB 0.0020 0.0018 -0.0043 856 SER 51 OG 0.0037 -0.0027 -0.0018 857 SER 51 H 0.0041 -0.0019 0.0042 858 SER 51 HA 0.0012 0.0033 -0.0080 859 SER 51 HB3 0.0011 0.0058 -0.0013 860 SER 51 HB2 0.0012 0.0030 -0.0087 861 SER 51 HG 0.0043 -0.0031 0.0024 862 THR 52 N 0.0023 -0.0035 -0.0172 863 THR 52 CA 0.0019 -0.0053 -0.0185 864 THR 52 C 0.0007 -0.0043 -0.0197 865 THR 52 O -0.0003 -0.0026 -0.0204 866 THR 52 CB 0.0014 -0.0067 -0.0198 867 THR 52 OG1 0.0025 -0.0076 -0.0187 868 THR 52 CG2 0.0010 -0.0088 -0.0212 869 THR 52 H 0.0014 -0.0021 -0.0178 870 THR 52 HA 0.0029 -0.0064 -0.0177 871 THR 52 HB 0.0004 -0.0056 -0.0206 872 THR 52 HG1 0.0027 -0.0064 -0.0179 873 THR 52 HG21 0.0007 -0.0097 -0.0221 874 THR 52 HG22 0.0001 -0.0082 -0.0222 875 THR 52 HG23 0.0019 -0.0099 -0.0205 876 ASP 53 N -0.0055 -0.0042 -0.0199 877 ASP 53 CA -0.0062 -0.0040 -0.0212 878 ASP 53 C -0.0070 -0.0046 -0.0211 879 ASP 53 O -0.0077 -0.0054 -0.0203 880 ASP 53 CB -0.0070 -0.0042 -0.0219 881 ASP 53 CG -0.0062 -0.0036 -0.0220 882 ASP 53 OD1 -0.0053 -0.0028 -0.0225 883 ASP 53 OD2 -0.0066 -0.0041 -0.0216 884 ASP 53 H -0.0060 -0.0047 -0.0194 885 ASP 53 HA -0.0055 -0.0033 -0.0218 886 ASP 53 HB3 -0.0074 -0.0040 -0.0229 887 ASP 53 HB2 -0.0077 -0.0049 -0.0214 888 TYR 54 N -0.0037 0.0006 -0.0213 889 TYR 54 CA -0.0032 0.0014 -0.0190 890 TYR 54 C -0.0030 0.0016 -0.0180 891 TYR 54 O -0.0023 0.0003 -0.0186 892 TYR 54 CB -0.0018 -0.0000 -0.0179 893 TYR 54 CG -0.0020 -0.0000 -0.0181 894 TYR 54 CD1 -0.0017 -0.0013 -0.0198 895 TYR 54 CD2 -0.0023 0.0013 -0.0167 896 TYR 54 CE1 -0.0018 -0.0014 -0.0200 897 TYR 54 CE2 -0.0024 0.0013 -0.0169 898 TYR 54 CZ -0.0021 -0.0000 -0.0186 899 TYR 54 OH -0.0022 -0.0000 -0.0188 900 TYR 54 H -0.0030 -0.0007 -0.0219 901 TYR 54 HA -0.0041 0.0028 -0.0185 902 TYR 54 HB3 -0.0014 0.0003 -0.0161 903 TYR 54 HB2 -0.0010 -0.0015 -0.0184 904 TYR 54 HD1 -0.0015 -0.0024 -0.0210 905 TYR 54 HD2 -0.0025 0.0023 -0.0154 906 TYR 54 HE1 -0.0016 -0.0024 -0.0213 907 TYR 54 HE2 -0.0026 0.0023 -0.0158 908 TYR 54 HH -0.0019 -0.0011 -0.0199 909 GLY 55 N -0.0086 0.0017 -0.0139 910 GLY 55 CA -0.0079 0.0020 -0.0123 911 GLY 55 C -0.0091 0.0025 -0.0135 912 GLY 55 O -0.0107 0.0032 -0.0155 913 GLY 55 H -0.0095 0.0031 -0.0134 914 GLY 55 HA3 -0.0063 0.0003 -0.0117 915 GLY 55 HA2 -0.0079 0.0034 -0.0104 916 ILE 56 N -0.0099 0.0024 -0.0088 917 ILE 56 CA -0.0104 0.0031 -0.0091 918 ILE 56 C -0.0106 0.0018 -0.0112 919 ILE 56 O -0.0115 0.0026 -0.0121 920 ILE 56 CB -0.0094 0.0031 -0.0069 921 ILE 56 CG1 -0.0101 0.0043 -0.0069 922 ILE 56 CG2 -0.0079 0.0009 -0.0065 923 ILE 56 CD1 -0.0094 0.0050 -0.0045 924 ILE 56 H -0.0089 0.0019 -0.0074 925 ILE 56 HA -0.0115 0.0047 -0.0093 926 ILE 56 HB -0.0093 0.0039 -0.0056 927 ILE 56 HG13 -0.0112 0.0057 -0.0075 928 ILE 56 HG12 -0.0100 0.0034 -0.0079 929 ILE 56 HG21 -0.0072 0.0009 -0.0049 930 ILE 56 HG22 -0.0074 -0.0000 -0.0066 931 ILE 56 HG23 -0.0079 -0.0000 -0.0077 932 ILE 56 HD11 -0.0100 0.0060 -0.0045 933 ILE 56 HD12 -0.0095 0.0060 -0.0034 934 ILE 56 HD13 -0.0083 0.0037 -0.0038 935 PHE 57 N -0.0062 -0.0015 -0.0112 936 PHE 57 CA -0.0063 -0.0022 -0.0120 937 PHE 57 C -0.0066 -0.0025 -0.0137 938 PHE 57 O -0.0068 -0.0029 -0.0145 939 PHE 57 CB -0.0061 -0.0038 -0.0112 940 PHE 57 CG -0.0058 -0.0037 -0.0096 941 PHE 57 CD1 -0.0058 -0.0028 -0.0093 942 PHE 57 CD2 -0.0055 -0.0045 -0.0084 943 PHE 57 CE1 -0.0055 -0.0027 -0.0078 944 PHE 57 CE2 -0.0053 -0.0044 -0.0069 945 PHE 57 CZ -0.0052 -0.0035 -0.0066 946 PHE 57 H -0.0061 -0.0021 -0.0110 947 PHE 57 HA -0.0063 -0.0015 -0.0119 948 PHE 57 HB3 -0.0062 -0.0045 -0.0119 949 PHE 57 HB2 -0.0061 -0.0045 -0.0112 950 PHE 57 HD1 -0.0060 -0.0022 -0.0102 951 PHE 57 HD2 -0.0056 -0.0052 -0.0086 952 PHE 57 HE1 -0.0055 -0.0021 -0.0075 953 PHE 57 HE2 -0.0051 -0.0050 -0.0059 954 PHE 57 HZ -0.0050 -0.0035 -0.0054 955 GLN 58 N -0.0092 -0.0021 -0.0182 956 GLN 58 CA -0.0099 -0.0020 -0.0191 957 GLN 58 C -0.0091 -0.0036 -0.0199 958 GLN 58 O -0.0096 -0.0041 -0.0215 959 GLN 58 CB -0.0115 -0.0013 -0.0203 960 GLN 58 CG -0.0125 0.0004 -0.0195 961 GLN 58 CD -0.0129 0.0013 -0.0187 962 GLN 58 OE1 -0.0138 0.0015 -0.0196 963 GLN 58 NE2 -0.0121 0.0018 -0.0171 964 GLN 58 H -0.0089 -0.0014 -0.0169 965 GLN 58 HA -0.0099 -0.0013 -0.0182 966 GLN 58 HB3 -0.0120 -0.0015 -0.0212 967 GLN 58 HB2 -0.0116 -0.0019 -0.0211 968 GLN 58 HG3 -0.0136 0.0007 -0.0204 969 GLN 58 HG2 -0.0121 0.0007 -0.0185 970 GLN 58 HE22 -0.0123 0.0024 -0.0165 971 GLN 58 HE21 -0.0114 0.0016 -0.0164 972 ILE 59 N -0.0015 -0.0019 -0.0181 973 ILE 59 CA -0.0001 -0.0038 -0.0187 974 ILE 59 C -0.0000 -0.0040 -0.0192 975 ILE 59 O -0.0001 -0.0034 -0.0178 976 ILE 59 CB 0.0013 -0.0046 -0.0168 977 ILE 59 CG1 0.0013 -0.0046 -0.0168 978 ILE 59 CG2 0.0028 -0.0064 -0.0169 979 ILE 59 CD1 0.0023 -0.0049 -0.0147 980 ILE 59 H -0.0013 -0.0014 -0.0165 981 ILE 59 HA -0.0001 -0.0043 -0.0202 982 ILE 59 HB 0.0011 -0.0038 -0.0153 983 ILE 59 HG13 0.0002 -0.0034 -0.0170 984 ILE 59 HG12 0.0017 -0.0056 -0.0181 985 ILE 59 HG21 0.0037 -0.0069 -0.0155 986 ILE 59 HG22 0.0029 -0.0065 -0.0169 987 ILE 59 HG23 0.0031 -0.0073 -0.0184 988 ILE 59 HD11 0.0022 -0.0048 -0.0147 989 ILE 59 HD12 0.0020 -0.0040 -0.0133 990 ILE 59 HD13 0.0035 -0.0062 -0.0144 991 ASN 60 N 0.0019 -0.0035 -0.0217 992 ASN 60 CA 0.0019 -0.0028 -0.0196 993 ASN 60 C 0.0029 -0.0008 -0.0193 994 ASN 60 O 0.0038 0.0003 -0.0205 995 ASN 60 CB 0.0017 -0.0030 -0.0190 996 ASN 60 CG 0.0013 -0.0027 -0.0168 997 ASN 60 OD1 0.0020 -0.0012 -0.0160 998 ASN 60 ND2 0.0003 -0.0041 -0.0157 999 ASN 60 H 0.0020 -0.0038 -0.0225 1000 ASN 60 HA 0.0012 -0.0036 -0.0187 1001 ASN 60 HB3 0.0023 -0.0021 -0.0198 1002 ASN 60 HB2 0.0010 -0.0044 -0.0196 1003 ASN 60 HD22 0.0001 -0.0040 -0.0142 1004 ASN 60 HD21 -0.0002 -0.0053 -0.0164 1005 SER 61 N 0.0029 0.0000 -0.0200 1006 SER 61 CA 0.0031 0.0027 -0.0201 1007 SER 61 C 0.0023 0.0044 -0.0184 1008 SER 61 O 0.0024 0.0066 -0.0184 1009 SER 61 CB 0.0029 0.0028 -0.0198 1010 SER 61 OG 0.0018 0.0020 -0.0176 1011 SER 61 H 0.0024 -0.0010 -0.0191 1012 SER 61 HA 0.0040 0.0033 -0.0217 1013 SER 61 HB3 0.0035 0.0016 -0.0210 1014 SER 61 HB2 0.0032 0.0047 -0.0201 1015 SER 61 HG 0.0013 0.0033 -0.0166 1016 ARG 62 N 0.0034 0.0061 -0.0150 1017 ARG 62 CA 0.0020 0.0107 -0.0112 1018 ARG 62 C 0.0037 0.0134 -0.0152 1019 ARG 62 O 0.0033 0.0192 -0.0139 1020 ARG 62 CB -0.0006 0.0069 -0.0053 1021 ARG 62 CG -0.0021 0.0112 -0.0012 1022 ARG 62 CD -0.0050 0.0086 0.0056 1023 ARG 62 NE -0.0066 0.0117 0.0097 1024 ARG 62 CZ -0.0078 0.0083 0.0123 1025 ARG 62 NH1 -0.0076 0.0015 0.0113 1026 ARG 62 NH2 -0.0091 0.0118 0.0158 1027 ARG 62 H 0.0032 0.0010 -0.0150 1028 ARG 62 HA 0.0014 0.0151 -0.0094 1029 ARG 62 HB3 -0.0001 0.0021 -0.0068 1030 ARG 62 HB2 -0.0019 0.0054 -0.0023 1031 ARG 62 HG3 -0.0020 0.0166 -0.0011 1032 ARG 62 HG2 -0.0012 0.0112 -0.0036 1033 ARG 62 HD3 -0.0057 0.0104 0.0075 1034 ARG 62 HD2 -0.0053 0.0030 0.0058 1035 ARG 62 HE -0.0068 0.0168 0.0105 1036 ARG 62 HH12 -0.0085 -0.0009 0.0134 1037 ARG 62 HH11 -0.0067 -0.0013 0.0088 1038 ARG 62 HH22 -0.0101 0.0093 0.0180 1039 ARG 62 HH21 -0.0091 0.0171 0.0163 1040 TYR 63 N 0.0071 0.0005 -0.0189 1041 TYR 63 CA 0.0082 -0.0002 -0.0199 1042 TYR 63 C 0.0103 0.0004 -0.0213 1043 TYR 63 O 0.0114 0.0008 -0.0220 1044 TYR 63 CB 0.0077 -0.0028 -0.0202 1045 TYR 63 CG 0.0057 -0.0035 -0.0189 1046 TYR 63 CD1 0.0051 -0.0029 -0.0183 1047 TYR 63 CD2 0.0044 -0.0047 -0.0183 1048 TYR 63 CE1 0.0032 -0.0035 -0.0170 1049 TYR 63 CE2 0.0025 -0.0053 -0.0170 1050 TYR 63 CZ 0.0019 -0.0047 -0.0164 1051 TYR 63 OH 0.0000 -0.0053 -0.0152 1052 TYR 63 H 0.0070 -0.0005 -0.0191 1053 TYR 63 HA 0.0079 0.0006 -0.0195 1054 TYR 63 HB3 0.0086 -0.0034 -0.0210 1055 TYR 63 HB2 0.0080 -0.0037 -0.0207 1056 TYR 63 HD1 0.0060 -0.0020 -0.0188 1057 TYR 63 HD2 0.0048 -0.0052 -0.0187 1058 TYR 63 HE1 0.0027 -0.0031 -0.0166 1059 TYR 63 HE2 0.0015 -0.0062 -0.0165 1060 TYR 63 HH -0.0007 -0.0061 -0.0149 1061 TRP 64 N 0.0105 -0.0031 -0.0192 1062 TRP 64 CA 0.0121 -0.0031 -0.0192 1063 TRP 64 C 0.0128 -0.0016 -0.0193 1064 TRP 64 O 0.0138 -0.0015 -0.0193 1065 TRP 64 CB 0.0126 -0.0039 -0.0192 1066 TRP 64 CG 0.0120 -0.0054 -0.0192 1067 TRP 64 CD1 0.0110 -0.0058 -0.0191 1068 TRP 64 CD2 0.0123 -0.0067 -0.0191 1069 TRP 64 NE1 0.0107 -0.0072 -0.0191 1070 TRP 64 CE2 0.0114 -0.0079 -0.0191 1071 TRP 64 CE3 0.0132 -0.0070 -0.0191 1072 TRP 64 CZ2 0.0113 -0.0093 -0.0191 1073 TRP 64 CZ3 0.0131 -0.0085 -0.0191 1074 TRP 64 CH2 0.0122 -0.0096 -0.0191 1075 TRP 64 H 0.0100 -0.0027 -0.0192 1076 TRP 64 HA 0.0125 -0.0039 -0.0192 1077 TRP 64 HB3 0.0138 -0.0039 -0.0192 1078 TRP 64 HB2 0.0123 -0.0031 -0.0192 1079 TRP 64 HD1 0.0106 -0.0050 -0.0192 1080 TRP 64 HE1 0.0099 -0.0078 -0.0191 1081 TRP 64 HE3 0.0139 -0.0062 -0.0192 1082 TRP 64 HZ2 0.0106 -0.0101 -0.0190 1083 TRP 64 HZ3 0.0138 -0.0087 -0.0191 1084 TRP 64 HH2 0.0122 -0.0107 -0.0190 1085 CYS 65 N 0.0083 -0.0008 -0.0197 1086 CYS 65 CA 0.0089 0.0004 -0.0184 1087 CYS 65 C 0.0083 0.0012 -0.0175 1088 CYS 65 O 0.0071 0.0009 -0.0177 1089 CYS 65 CB 0.0082 0.0007 -0.0181 1090 CYS 65 SG 0.0060 0.0008 -0.0177 1091 CYS 65 H 0.0070 -0.0010 -0.0197 1092 CYS 65 HA 0.0102 0.0005 -0.0185 1093 CYS 65 HB3 0.0086 -0.0000 -0.0188 1094 CYS 65 HB2 0.0089 0.0015 -0.0173 1095 ASN 66 N 0.0085 0.0038 -0.0182 1096 ASN 66 CA 0.0067 0.0058 -0.0184 1097 ASN 66 C 0.0073 0.0077 -0.0189 1098 ASN 66 O 0.0094 0.0086 -0.0193 1099 ASN 66 CB 0.0068 0.0069 -0.0186 1100 ASN 66 CG 0.0048 0.0089 -0.0188 1101 ASN 66 OD1 0.0026 0.0085 -0.0184 1102 ASN 66 ND2 0.0055 0.0110 -0.0193 1103 ASN 66 H 0.0103 0.0042 -0.0185 1104 ASN 66 HA 0.0048 0.0051 -0.0181 1105 ASN 66 HB3 0.0086 0.0076 -0.0190 1106 ASN 66 HB2 0.0065 0.0055 -0.0183 1107 ASN 66 HD22 0.0043 0.0123 -0.0194 1108 ASN 66 HD21 0.0074 0.0113 -0.0196 1109 ASP 67 N 0.0006 0.0079 -0.0246 1110 ASP 67 CA 0.0012 0.0090 -0.0259 1111 ASP 67 C -0.0008 0.0109 -0.0262 1112 ASP 67 O -0.0005 0.0121 -0.0273 1113 ASP 67 CB 0.0022 0.0075 -0.0252 1114 ASP 67 CG 0.0006 0.0066 -0.0235 1115 ASP 67 OD1 -0.0015 0.0075 -0.0229 1116 ASP 67 OD2 0.0015 0.0050 -0.0227 1117 ASP 67 H -0.0007 0.0074 -0.0233 1118 ASP 67 HA 0.0025 0.0096 -0.0272 1119 ASP 67 HB3 0.0037 0.0062 -0.0251 1120 ASP 67 HB2 0.0030 0.0082 -0.0263 1121 GLY 68 N -0.0029 0.0192 -0.0308 1122 GLY 68 CA -0.0111 0.0239 -0.0335 1123 GLY 68 C -0.0153 0.0240 -0.0323 1124 GLY 68 O -0.0225 0.0277 -0.0342 1125 GLY 68 H -0.0035 0.0154 -0.0262 1126 GLY 68 HA3 -0.0100 0.0284 -0.0392 1127 GLY 68 HA2 -0.0160 0.0232 -0.0311 1128 LYS 69 N -0.0114 0.0213 -0.0287 1129 LYS 69 CA -0.0094 0.0188 -0.0236 1130 LYS 69 C -0.0086 0.0181 -0.0164 1131 LYS 69 O -0.0068 0.0159 -0.0119 1132 LYS 69 CB -0.0058 0.0132 -0.0265 1133 LYS 69 CG -0.0024 0.0082 -0.0279 1134 LYS 69 CD 0.0015 0.0023 -0.0283 1135 LYS 69 CE 0.0050 -0.0028 -0.0286 1136 LYS 69 NZ 0.0050 -0.0033 -0.0353 1137 LYS 69 H -0.0099 0.0189 -0.0301 1138 LYS 69 HA -0.0114 0.0217 -0.0226 1139 LYS 69 HB3 -0.0067 0.0141 -0.0313 1140 LYS 69 HB2 -0.0047 0.0119 -0.0229 1141 LYS 69 HG3 -0.0021 0.0081 -0.0238 1142 LYS 69 HG2 -0.0032 0.0088 -0.0327 1143 LYS 69 HD3 0.0014 0.0020 -0.0327 1144 LYS 69 HD2 0.0021 0.0019 -0.0237 1145 LYS 69 HE3 0.0077 -0.0067 -0.0278 1146 LYS 69 HE2 0.0049 -0.0023 -0.0244 1147 LYS 69 HZ1 0.0073 -0.0067 -0.0353 1148 LYS 69 HZ2 0.0051 -0.0039 -0.0391 1149 LYS 69 HZ3 0.0025 0.0002 -0.0360 1150 ASN 70 N -0.0058 0.0196 -0.0136 1151 ASN 70 CA -0.0063 0.0176 -0.0082 1152 ASN 70 C -0.0095 0.0228 -0.0049 1153 ASN 70 O -0.0106 0.0269 -0.0078 1154 ASN 70 CB -0.0046 0.0149 -0.0100 1155 ASN 70 CG -0.0014 0.0110 -0.0150 1156 ASN 70 OD1 0.0004 0.0066 -0.0142 1157 ASN 70 ND2 -0.0008 0.0128 -0.0203 1158 ASN 70 HB2 -0.0056 0.0182 -0.0115 1159 ASN 70 HB3 -0.0045 0.0125 -0.0060 1160 ASN 70 HD22 0.0011 0.0106 -0.0239 1161 ASN 70 HD21 -0.0024 0.0164 -0.0207 1162 ASN 70 H -0.0055 0.0213 -0.0174 1163 ASN 70 HA -0.0055 0.0143 -0.0053 1164 PRO 71 N -0.0122 0.0339 0.0047 1165 PRO 71 CA -0.0179 0.0408 0.0114 1166 PRO 71 C -0.0173 0.0397 0.0112 1167 PRO 71 O -0.0138 0.0309 0.0117 1168 PRO 71 CB -0.0208 0.0371 0.0228 1169 PRO 71 CG -0.0176 0.0306 0.0216 1170 PRO 71 CD -0.0117 0.0270 0.0107 1171 PRO 71 HA -0.0203 0.0490 0.0087 1172 PRO 71 HB3 -0.0254 0.0438 0.0270 1173 PRO 71 HB2 -0.0206 0.0322 0.0275 1174 PRO 71 HG3 -0.0198 0.0357 0.0216 1175 PRO 71 HG2 -0.0174 0.0241 0.0280 1176 PRO 71 HD2 -0.0086 0.0189 0.0117 1177 PRO 71 HD3 -0.0102 0.0273 0.0068 1178 GLY 72 N -0.0209 0.0395 0.0099 1179 GLY 72 CA -0.0180 0.0339 0.0075 1180 GLY 72 C -0.0072 0.0286 -0.0025 1181 GLY 72 O -0.0051 0.0191 -0.0038 1182 GLY 72 H -0.0231 0.0494 0.0112 1183 GLY 72 HA3 -0.0227 0.0257 0.0128 1184 GLY 72 HA2 -0.0193 0.0418 0.0082 1185 ALA 73 N -0.0057 0.0220 -0.0070 1186 ALA 73 CA -0.0021 0.0205 -0.0111 1187 ALA 73 C -0.0002 0.0223 -0.0133 1188 ALA 73 O -0.0006 0.0267 -0.0130 1189 ALA 73 CB -0.0005 0.0230 -0.0130 1190 ALA 73 H -0.0066 0.0248 -0.0061 1191 ALA 73 HA -0.0019 0.0164 -0.0111 1192 ALA 73 HB1 0.0022 0.0220 -0.0160 1193 ALA 73 HB2 -0.0017 0.0218 -0.0115 1194 ALA 73 HB3 -0.0007 0.0273 -0.0129 1195 VAL 74 N 0.0104 0.0092 -0.0142 1196 VAL 74 CA 0.0133 0.0075 -0.0152 1197 VAL 74 C 0.0170 0.0087 -0.0152 1198 VAL 74 O 0.0194 0.0094 -0.0153 1199 VAL 74 CB 0.0127 0.0036 -0.0166 1200 VAL 74 CG1 0.0157 0.0015 -0.0178 1201 VAL 74 CG2 0.0091 0.0023 -0.0166 1202 VAL 74 H 0.0095 0.0081 -0.0145 1203 VAL 74 HA 0.0132 0.0081 -0.0150 1204 VAL 74 HB 0.0126 0.0031 -0.0168 1205 VAL 74 HG11 0.0151 -0.0012 -0.0187 1206 VAL 74 HG12 0.0183 0.0021 -0.0179 1207 VAL 74 HG13 0.0161 0.0021 -0.0176 1208 VAL 74 HG21 0.0087 -0.0004 -0.0176 1209 VAL 74 HG22 0.0089 0.0028 -0.0164 1210 VAL 74 HG23 0.0068 0.0035 -0.0159 1211 ASN 75 N 0.0120 0.0023 -0.0193 1212 ASN 75 CA 0.0130 0.0027 -0.0188 1213 ASN 75 C 0.0143 0.0018 -0.0196 1214 ASN 75 O 0.0158 0.0020 -0.0192 1215 ASN 75 CB 0.0137 0.0038 -0.0174 1216 ASN 75 CG 0.0143 0.0044 -0.0167 1217 ASN 75 OD1 0.0140 0.0042 -0.0170 1218 ASN 75 ND2 0.0154 0.0052 -0.0157 1219 ASN 75 H 0.0108 0.0023 -0.0195 1220 ASN 75 HA 0.0121 0.0028 -0.0187 1221 ASN 75 HB3 0.0146 0.0037 -0.0175 1222 ASN 75 HB2 0.0127 0.0044 -0.0169 1223 ASN 75 HD22 0.0159 0.0056 -0.0152 1224 ASN 75 HD21 0.0157 0.0054 -0.0155 1225 ALA 76 N 0.0167 -0.0035 -0.0194 1226 ALA 76 CA 0.0180 -0.0056 -0.0190 1227 ALA 76 C 0.0201 -0.0052 -0.0178 1228 ALA 76 O 0.0215 -0.0067 -0.0173 1229 ALA 76 CB 0.0169 -0.0070 -0.0199 1230 ALA 76 H 0.0154 -0.0032 -0.0200 1231 ALA 76 HA 0.0182 -0.0066 -0.0191 1232 ALA 76 HB1 0.0178 -0.0086 -0.0197 1233 ALA 76 HB2 0.0155 -0.0075 -0.0208 1234 ALA 76 HB3 0.0166 -0.0061 -0.0199 1235 CYS 77 N 0.0160 -0.0075 -0.0168 1236 CYS 77 CA 0.0164 -0.0073 -0.0162 1237 CYS 77 C 0.0178 -0.0066 -0.0146 1238 CYS 77 O 0.0186 -0.0065 -0.0142 1239 CYS 77 CB 0.0145 -0.0068 -0.0158 1240 CYS 77 SG 0.0128 -0.0075 -0.0176 1241 CYS 77 H 0.0148 -0.0071 -0.0162 1242 CYS 77 HA 0.0170 -0.0079 -0.0173 1243 CYS 77 HB3 0.0149 -0.0066 -0.0153 1244 CYS 77 HB2 0.0138 -0.0062 -0.0147 1245 HIS 78 N 0.0209 -0.0031 -0.0167 1246 HIS 78 CA 0.0229 -0.0012 -0.0146 1247 HIS 78 C 0.0220 -0.0005 -0.0130 1248 HIS 78 O 0.0239 0.0005 -0.0123 1249 HIS 78 CB 0.0263 -0.0007 -0.0159 1250 HIS 78 CG 0.0272 -0.0009 -0.0169 1251 HIS 78 ND1 0.0267 -0.0026 -0.0195 1252 HIS 78 CD2 0.0284 0.0003 -0.0157 1253 HIS 78 CE1 0.0276 -0.0023 -0.0196 1254 HIS 78 NE2 0.0287 -0.0006 -0.0174 1255 HIS 78 H 0.0196 -0.0034 -0.0164 1256 HIS 78 HA 0.0224 -0.0004 -0.0131 1257 HIS 78 HB3 0.0276 0.0008 -0.0144 1258 HIS 78 HB2 0.0269 -0.0014 -0.0176 1259 HIS 78 HD1 0.0258 -0.0037 -0.0210 1260 HIS 78 HD2 0.0291 0.0017 -0.0136 1261 HIS 78 HE1 0.0275 -0.0034 -0.0214 1262 LEU 79 N 0.0145 -0.0062 -0.0113 1263 LEU 79 CA 0.0135 -0.0046 -0.0096 1264 LEU 79 C 0.0122 -0.0037 -0.0092 1265 LEU 79 O 0.0114 -0.0039 -0.0108 1266 LEU 79 CB 0.0119 -0.0040 -0.0103 1267 LEU 79 CG 0.0128 -0.0045 -0.0102 1268 LEU 79 CD1 0.0111 -0.0039 -0.0111 1269 LEU 79 CD2 0.0139 -0.0040 -0.0078 1270 LEU 79 H 0.0136 -0.0064 -0.0129 1271 LEU 79 HA 0.0146 -0.0046 -0.0080 1272 LEU 79 HB3 0.0108 -0.0027 -0.0092 1273 LEU 79 HB2 0.0109 -0.0042 -0.0120 1274 LEU 79 HG 0.0140 -0.0058 -0.0112 1275 LEU 79 HD11 0.0117 -0.0044 -0.0113 1276 LEU 79 HD12 0.0102 -0.0042 -0.0128 1277 LEU 79 HD13 0.0099 -0.0027 -0.0101 1278 LEU 79 HD21 0.0145 -0.0044 -0.0077 1279 LEU 79 HD22 0.0129 -0.0028 -0.0067 1280 LEU 79 HD23 0.0153 -0.0046 -0.0071 1281 SER 80 N 0.0126 0.0004 -0.0104 1282 SER 80 CA 0.0102 0.0025 -0.0101 1283 SER 80 C 0.0085 0.0025 -0.0108 1284 SER 80 O 0.0096 0.0021 -0.0106 1285 SER 80 CB 0.0112 0.0049 -0.0080 1286 SER 80 OG 0.0090 0.0070 -0.0075 1287 SER 80 H 0.0142 0.0008 -0.0094 1288 SER 80 HA 0.0090 0.0023 -0.0107 1289 SER 80 HB3 0.0124 0.0051 -0.0072 1290 SER 80 HB2 0.0125 0.0048 -0.0074 1291 SER 80 HG 0.0081 0.0069 -0.0080 1292 CYS 81 N 0.0075 0.0012 -0.0144 1293 CYS 81 CA 0.0056 0.0020 -0.0152 1294 CYS 81 C 0.0046 0.0034 -0.0134 1295 CYS 81 O 0.0032 0.0040 -0.0139 1296 CYS 81 CB 0.0042 0.0024 -0.0163 1297 CYS 81 SG 0.0048 0.0010 -0.0188 1298 CYS 81 H 0.0077 0.0010 -0.0145 1299 CYS 81 HA 0.0057 0.0015 -0.0162 1300 CYS 81 HB3 0.0027 0.0031 -0.0168 1301 CYS 81 HB2 0.0041 0.0029 -0.0153 1302 SER 82 N 0.0029 0.0035 -0.0080 1303 SER 82 CA 0.0022 0.0050 -0.0056 1304 SER 82 C 0.0028 0.0048 -0.0049 1305 SER 82 O 0.0016 0.0062 -0.0035 1306 SER 82 CB 0.0032 0.0051 -0.0032 1307 SER 82 CB 0.0037 0.0047 -0.0033 1308 SER 82 OG 0.0057 0.0037 -0.0023 1309 SER 82 OG 0.0032 0.0061 -0.0008 1310 SER 82 H 0.0043 0.0026 -0.0078 1311 SER 82 HA 0.0002 0.0062 -0.0060 1312 SER 82 HB3 0.0029 0.0052 -0.0038 1313 SER 82 HB3 0.0056 0.0034 -0.0032 1314 SER 82 HB2 0.0024 0.0064 -0.0015 1315 SER 82 HB2 0.0033 0.0050 -0.0036 1316 SER 82 HG 0.0065 0.0027 -0.0036 1317 SER 82 HG 0.0040 0.0060 0.0007 1318 ALA 83 N 0.0049 0.0015 -0.0035 1319 ALA 83 CA 0.0056 0.0012 -0.0027 1320 ALA 83 C 0.0041 0.0020 -0.0042 1321 ALA 83 O 0.0042 0.0024 -0.0032 1322 ALA 83 CB 0.0077 -0.0012 -0.0033 1323 ALA 83 H 0.0055 0.0003 -0.0047 1324 ALA 83 HA 0.0059 0.0019 -0.0006 1325 ALA 83 HB1 0.0084 -0.0015 -0.0025 1326 ALA 83 HB2 0.0088 -0.0019 -0.0024 1327 ALA 83 HB3 0.0075 -0.0020 -0.0054 1328 LEU 84 N 0.0027 -0.0000 -0.0058 1329 LEU 84 CA 0.0010 0.0012 -0.0076 1330 LEU 84 C -0.0011 0.0036 -0.0066 1331 LEU 84 O -0.0027 0.0048 -0.0078 1332 LEU 84 CB 0.0007 0.0004 -0.0107 1333 LEU 84 CG 0.0028 -0.0020 -0.0119 1334 LEU 84 CD1 0.0023 -0.0025 -0.0149 1335 LEU 84 CD2 0.0036 -0.0029 -0.0119 1336 LEU 84 H 0.0029 -0.0004 -0.0065 1337 LEU 84 HA 0.0013 0.0009 -0.0074 1338 LEU 84 HB3 -0.0005 0.0012 -0.0121 1339 LEU 84 HB2 0.0001 0.0010 -0.0109 1340 LEU 84 HG 0.0040 -0.0028 -0.0106 1341 LEU 84 HD11 0.0037 -0.0042 -0.0159 1342 LEU 84 HD12 0.0019 -0.0021 -0.0149 1343 LEU 84 HD13 0.0010 -0.0016 -0.0163 1344 LEU 84 HD21 0.0050 -0.0046 -0.0129 1345 LEU 84 HD22 0.0024 -0.0021 -0.0132 1346 LEU 84 HD23 0.0041 -0.0026 -0.0098 1347 LEU 85 N -0.0003 0.0047 -0.0027 1348 LEU 85 CA -0.0028 0.0073 -0.0012 1349 LEU 85 C -0.0026 0.0083 0.0025 1350 LEU 85 O -0.0044 0.0104 0.0042 1351 LEU 85 CB -0.0032 0.0078 -0.0008 1352 LEU 85 CG -0.0038 0.0072 -0.0044 1353 LEU 85 CD1 -0.0041 0.0077 -0.0037 1354 LEU 85 CD2 -0.0065 0.0088 -0.0069 1355 LEU 85 H 0.0014 0.0034 -0.0016 1356 LEU 85 HA -0.0046 0.0084 -0.0028 1357 LEU 85 HB3 -0.0049 0.0097 0.0006 1358 LEU 85 HB2 -0.0013 0.0066 0.0008 1359 LEU 85 HG -0.0021 0.0053 -0.0058 1360 LEU 85 HD11 -0.0046 0.0073 -0.0062 1361 LEU 85 HD12 -0.0022 0.0065 -0.0021 1362 LEU 85 HD13 -0.0058 0.0096 -0.0023 1363 LEU 85 HD21 -0.0070 0.0085 -0.0093 1364 LEU 85 HD22 -0.0083 0.0108 -0.0056 1365 LEU 85 HD23 -0.0062 0.0083 -0.0077 1366 GLN 86 N -0.0036 0.0099 0.0042 1367 GLN 86 CA -0.0031 0.0106 0.0075 1368 GLN 86 C -0.0045 0.0125 0.0074 1369 GLN 86 O -0.0051 0.0123 0.0048 1370 GLN 86 CB -0.0008 0.0079 0.0086 1371 GLN 86 CG 0.0009 0.0059 0.0091 1372 GLN 86 CD 0.0032 0.0034 0.0105 1373 GLN 86 OE1 0.0040 0.0036 0.0135 1374 GLN 86 NE2 0.0043 0.0011 0.0083 1375 GLN 86 H -0.0026 0.0080 0.0028 1376 GLN 86 HA -0.0034 0.0117 0.0092 1377 GLN 86 HB3 -0.0005 0.0085 0.0109 1378 GLN 86 HB2 -0.0005 0.0069 0.0068 1379 GLN 86 HG3 0.0008 0.0051 0.0068 1380 GLN 86 HG2 0.0007 0.0069 0.0109 1381 GLN 86 HE22 0.0058 -0.0006 0.0091 1382 GLN 86 HE21 0.0035 0.0011 0.0059 1383 ASP 87 N -0.0044 0.0155 0.0116 1384 ASP 87 CA -0.0047 0.0168 0.0124 1385 ASP 87 C -0.0021 0.0133 0.0128 1386 ASP 87 O -0.0028 0.0132 0.0117 1387 ASP 87 CB -0.0044 0.0207 0.0164 1388 ASP 87 CG -0.0072 0.0247 0.0163 1389 ASP 87 OD1 -0.0098 0.0250 0.0129 1390 ASP 87 OD2 -0.0066 0.0276 0.0197 1391 ASP 87 H -0.0035 0.0166 0.0140 1392 ASP 87 HA -0.0072 0.0177 0.0098 1393 ASP 87 HB3 -0.0045 0.0215 0.0171 1394 ASP 87 HB2 -0.0020 0.0198 0.0190 1395 ASN 88 N -0.0027 0.0129 0.0133 1396 ASN 88 CA -0.0012 0.0097 0.0141 1397 ASN 88 C -0.0011 0.0071 0.0095 1398 ASN 88 O -0.0008 0.0053 0.0075 1399 ASN 88 CB 0.0009 0.0068 0.0175 1400 ASN 88 CG 0.0025 0.0040 0.0194 1401 ASN 88 OD1 0.0032 0.0011 0.0170 1402 ASN 88 ND2 0.0031 0.0049 0.0237 1403 ASN 88 H -0.0022 0.0120 0.0136 1404 ASN 88 HA -0.0015 0.0113 0.0154 1405 ASN 88 HB3 0.0014 0.0048 0.0161 1406 ASN 88 HB2 0.0007 0.0087 0.0203 1407 ASN 88 HD22 0.0042 0.0031 0.0251 1408 ASN 88 HD21 0.0025 0.0073 0.0256 1409 ILE 89 N -0.0022 0.0025 0.0066 1410 ILE 89 CA -0.0028 0.0009 0.0040 1411 ILE 89 C -0.0010 -0.0018 0.0037 1412 ILE 89 O -0.0014 -0.0033 0.0016 1413 ILE 89 CB -0.0045 0.0017 0.0025 1414 ILE 89 CG1 -0.0037 0.0013 0.0033 1415 ILE 89 CG2 -0.0065 0.0043 0.0026 1416 ILE 89 CD1 -0.0053 0.0016 0.0014 1417 ILE 89 H -0.0020 0.0030 0.0074 1418 ILE 89 HA -0.0036 0.0011 0.0032 1419 ILE 89 HB -0.0050 0.0005 0.0006 1420 ILE 89 HG13 -0.0023 -0.0005 0.0034 1421 ILE 89 HG12 -0.0034 0.0026 0.0051 1422 ILE 89 HG21 -0.0078 0.0047 0.0013 1423 ILE 89 HG22 -0.0070 0.0045 0.0021 1424 ILE 89 HG23 -0.0062 0.0056 0.0045 1425 ILE 89 HD11 -0.0046 0.0011 0.0019 1426 ILE 89 HD12 -0.0057 0.0004 -0.0005 1427 ILE 89 HD13 -0.0067 0.0034 0.0014 1428 ALA 90 N 0.0004 -0.0011 0.0073 1429 ALA 90 CA 0.0023 -0.0041 0.0073 1430 ALA 90 C 0.0035 -0.0066 0.0046 1431 ALA 90 O 0.0043 -0.0084 0.0027 1432 ALA 90 CB 0.0036 -0.0053 0.0112 1433 ALA 90 H 0.0002 -0.0002 0.0096 1434 ALA 90 HA 0.0020 -0.0038 0.0067 1435 ALA 90 HB1 0.0050 -0.0075 0.0113 1436 ALA 90 HB2 0.0028 -0.0036 0.0132 1437 ALA 90 HB3 0.0038 -0.0055 0.0121 1438 ASP 91 N 0.0059 -0.0038 0.0021 1439 ASP 91 CA 0.0065 -0.0055 -0.0001 1440 ASP 91 C 0.0048 -0.0050 -0.0036 1441 ASP 91 O 0.0054 -0.0069 -0.0059 1442 ASP 91 CB 0.0066 -0.0051 0.0011 1443 ASP 91 CG 0.0084 -0.0059 0.0043 1444 ASP 91 OD1 0.0101 -0.0078 0.0049 1445 ASP 91 OD2 0.0081 -0.0046 0.0060 1446 ASP 91 H 0.0053 -0.0022 0.0036 1447 ASP 91 HA 0.0080 -0.0076 -0.0003 1448 ASP 91 HB3 0.0068 -0.0062 -0.0007 1449 ASP 91 HB2 0.0050 -0.0029 0.0013 1450 ALA 92 N 0.0027 -0.0050 -0.0036 1451 ALA 92 CA 0.0015 -0.0044 -0.0059 1452 ALA 92 C 0.0017 -0.0053 -0.0070 1453 ALA 92 O 0.0014 -0.0059 -0.0091 1454 ALA 92 CB -0.0001 -0.0021 -0.0056 1455 ALA 92 H 0.0025 -0.0039 -0.0022 1456 ALA 92 HA 0.0015 -0.0051 -0.0072 1457 ALA 92 HB1 -0.0010 -0.0016 -0.0073 1458 ALA 92 HB2 -0.0003 -0.0014 -0.0049 1459 ALA 92 HB3 -0.0001 -0.0014 -0.0044 1460 VAL 93 N -0.0003 -0.0069 -0.0024 1461 VAL 93 CA -0.0004 -0.0066 -0.0029 1462 VAL 93 C 0.0008 -0.0083 -0.0034 1463 VAL 93 O 0.0012 -0.0082 -0.0048 1464 VAL 93 CB -0.0014 -0.0058 -0.0011 1465 VAL 93 CG1 -0.0013 -0.0060 -0.0011 1466 VAL 93 CG2 -0.0026 -0.0039 -0.0010 1467 VAL 93 H -0.0007 -0.0070 -0.0010 1468 VAL 93 HA -0.0006 -0.0056 -0.0043 1469 VAL 93 HB -0.0013 -0.0066 0.0004 1470 VAL 93 HG11 -0.0021 -0.0051 -0.0001 1471 VAL 93 HG12 -0.0006 -0.0074 -0.0005 1472 VAL 93 HG13 -0.0011 -0.0056 -0.0026 1473 VAL 93 HG21 -0.0033 -0.0033 0.0003 1474 VAL 93 HG22 -0.0028 -0.0030 -0.0024 1475 VAL 93 HG23 -0.0027 -0.0037 -0.0010 1476 ALA 94 N 0.0045 -0.0082 -0.0027 1477 ALA 94 CA 0.0062 -0.0097 -0.0031 1478 ALA 94 C 0.0069 -0.0101 -0.0050 1479 ALA 94 O 0.0080 -0.0110 -0.0062 1480 ALA 94 CB 0.0071 -0.0106 -0.0011 1481 ALA 94 H 0.0042 -0.0080 -0.0013 1482 ALA 94 HA 0.0065 -0.0098 -0.0036 1483 ALA 94 HB1 0.0084 -0.0117 -0.0014 1484 ALA 94 HB2 0.0067 -0.0104 0.0002 1485 ALA 94 HB3 0.0070 -0.0105 -0.0006 1486 CYS 95 N 0.0083 -0.0086 -0.0087 1487 CYS 95 CA 0.0086 -0.0089 -0.0108 1488 CYS 95 C 0.0086 -0.0075 -0.0118 1489 CYS 95 O 0.0088 -0.0081 -0.0131 1490 CYS 95 CB 0.0087 -0.0086 -0.0118 1491 CYS 95 SG 0.0090 -0.0090 -0.0145 1492 CYS 95 H 0.0082 -0.0077 -0.0082 1493 CYS 95 HA 0.0087 -0.0105 -0.0111 1494 CYS 95 HB3 0.0086 -0.0071 -0.0115 1495 CYS 95 HB2 0.0086 -0.0096 -0.0111 1496 ALA 96 N 0.0031 -0.0076 -0.0073 1497 ALA 96 CA 0.0029 -0.0065 -0.0083 1498 ALA 96 C 0.0030 -0.0059 -0.0089 1499 ALA 96 O 0.0034 -0.0052 -0.0099 1500 ALA 96 CB 0.0016 -0.0059 -0.0079 1501 ALA 96 H 0.0024 -0.0079 -0.0066 1502 ALA 96 HA 0.0035 -0.0064 -0.0088 1503 ALA 96 HB1 0.0013 -0.0050 -0.0086 1504 ALA 96 HB2 0.0015 -0.0063 -0.0075 1505 ALA 96 HB3 0.0009 -0.0060 -0.0074 1506 LYS 97 N 0.0045 -0.0065 -0.0059 1507 LYS 97 CA 0.0046 -0.0063 -0.0061 1508 LYS 97 C 0.0065 -0.0074 -0.0074 1509 LYS 97 O 0.0071 -0.0065 -0.0085 1510 LYS 97 CB 0.0033 -0.0073 -0.0041 1511 LYS 97 CG 0.0013 -0.0057 -0.0030 1512 LYS 97 CD 0.0000 -0.0068 -0.0011 1513 LYS 97 CE -0.0020 -0.0053 0.0000 1514 LYS 97 NZ -0.0031 -0.0064 0.0019 1515 LYS 97 H 0.0039 -0.0075 -0.0047 1516 LYS 97 HA 0.0041 -0.0045 -0.0067 1517 LYS 97 HB3 0.0037 -0.0077 -0.0043 1518 LYS 97 HB2 0.0035 -0.0088 -0.0033 1519 LYS 97 HG3 0.0008 -0.0052 -0.0029 1520 LYS 97 HG2 0.0011 -0.0042 -0.0038 1521 LYS 97 HD3 0.0005 -0.0073 -0.0012 1522 LYS 97 HD2 0.0002 -0.0083 -0.0003 1523 LYS 97 HE3 -0.0025 -0.0048 0.0002 1524 LYS 97 HE2 -0.0022 -0.0037 -0.0007 1525 LYS 97 HZ1 -0.0045 -0.0054 0.0026 1526 LYS 97 HZ2 -0.0029 -0.0079 0.0025 1527 LYS 97 HZ3 -0.0028 -0.0066 0.0017 1528 ARG 98 N 0.0118 -0.0067 -0.0092 1529 ARG 98 CA 0.0141 -0.0087 -0.0111 1530 ARG 98 C 0.0151 -0.0072 -0.0143 1531 ARG 98 O 0.0166 -0.0077 -0.0162 1532 ARG 98 CB 0.0151 -0.0114 -0.0098 1533 ARG 98 CG 0.0175 -0.0134 -0.0117 1534 ARG 98 CD 0.0188 -0.0148 -0.0124 1535 ARG 98 NE 0.0211 -0.0162 -0.0148 1536 ARG 98 CZ 0.0221 -0.0150 -0.0176 1537 ARG 98 NH1 0.0210 -0.0124 -0.0186 1538 ARG 98 NH2 0.0242 -0.0166 -0.0195 1539 ARG 98 H 0.0111 -0.0071 -0.0076 1540 ARG 98 HA 0.0146 -0.0094 -0.0110 1541 ARG 98 HB3 0.0143 -0.0107 -0.0093 1542 ARG 98 HB2 0.0146 -0.0126 -0.0077 1543 ARG 98 HG3 0.0180 -0.0123 -0.0137 1544 ARG 98 HG2 0.0179 -0.0151 -0.0106 1545 ARG 98 HD3 0.0187 -0.0164 -0.0105 1546 ARG 98 HD2 0.0182 -0.0133 -0.0130 1547 ARG 98 HE 0.0220 -0.0182 -0.0142 1548 ARG 98 HH12 0.0218 -0.0115 -0.0208 1549 ARG 98 HH11 0.0194 -0.0110 -0.0173 1550 ARG 98 HH22 0.0249 -0.0157 -0.0216 1551 ARG 98 HH21 0.0251 -0.0187 -0.0188 1552 VAL 99 N 0.0100 -0.0059 -0.0108 1553 VAL 99 CA 0.0104 -0.0057 -0.0108 1554 VAL 99 C 0.0104 -0.0052 -0.0109 1555 VAL 99 O 0.0107 -0.0050 -0.0110 1556 VAL 99 CB 0.0104 -0.0058 -0.0108 1557 VAL 99 CG1 0.0107 -0.0056 -0.0109 1558 VAL 99 CG2 0.0105 -0.0063 -0.0107 1559 VAL 99 H 0.0099 -0.0061 -0.0107 1560 VAL 99 HA 0.0107 -0.0058 -0.0108 1561 VAL 99 HB 0.0101 -0.0058 -0.0108 1562 VAL 99 HG11 0.0108 -0.0057 -0.0109 1563 VAL 99 HG12 0.0106 -0.0053 -0.0109 1564 VAL 99 HG13 0.0110 -0.0056 -0.0109 1565 VAL 99 HG21 0.0104 -0.0064 -0.0107 1566 VAL 99 HG22 0.0108 -0.0064 -0.0108 1567 VAL 99 HG23 0.0104 -0.0065 -0.0107 1568 VAL 100 N 0.0113 -0.0024 -0.0057 1569 VAL 100 CA 0.0106 0.0001 -0.0078 1570 VAL 100 C 0.0117 0.0018 -0.0091 1571 VAL 100 O 0.0115 0.0040 -0.0110 1572 VAL 100 CB 0.0071 0.0003 -0.0084 1573 VAL 100 CG1 0.0061 -0.0012 -0.0073 1574 VAL 100 CG2 0.0049 -0.0004 -0.0081 1575 VAL 100 H 0.0095 -0.0036 -0.0049 1576 VAL 100 HA 0.0119 0.0008 -0.0082 1577 VAL 100 HB 0.0068 0.0022 -0.0100 1578 VAL 100 HG11 0.0037 -0.0008 -0.0079 1579 VAL 100 HG12 0.0076 -0.0007 -0.0075 1580 VAL 100 HG13 0.0061 -0.0031 -0.0057 1581 VAL 100 HG21 0.0025 -0.0002 -0.0086 1582 VAL 100 HG22 0.0050 -0.0023 -0.0065 1583 VAL 100 HG23 0.0054 0.0006 -0.0089 1584 ARG 101 N 0.0155 0.0001 -0.0114 1585 ARG 101 CA 0.0162 0.0007 -0.0119 1586 ARG 101 C 0.0199 0.0014 -0.0132 1587 ARG 101 O 0.0205 0.0028 -0.0140 1588 ARG 101 CB 0.0153 -0.0021 -0.0105 1589 ARG 101 CG 0.0115 -0.0021 -0.0094 1590 ARG 101 CD 0.0105 -0.0041 -0.0084 1591 ARG 101 NE 0.0117 -0.0076 -0.0074 1592 ARG 101 CZ 0.0101 -0.0100 -0.0060 1593 ARG 101 NH1 0.0071 -0.0093 -0.0054 1594 ARG 101 NH2 0.0114 -0.0131 -0.0052 1595 ARG 101 H 0.0156 -0.0023 -0.0106 1596 ARG 101 HA 0.0146 0.0030 -0.0123 1597 ARG 101 HB3 0.0165 -0.0019 -0.0110 1598 ARG 101 HB2 0.0163 -0.0045 -0.0099 1599 ARG 101 HG3 0.0102 -0.0028 -0.0088 1600 ARG 101 HG2 0.0104 0.0005 -0.0101 1601 ARG 101 HD3 0.0078 -0.0039 -0.0077 1602 ARG 101 HD2 0.0116 -0.0032 -0.0091 1603 ARG 101 HE 0.0140 -0.0083 -0.0078 1604 ARG 101 HH12 0.0059 -0.0111 -0.0044 1605 ARG 101 HH11 0.0061 -0.0069 -0.0060 1606 ARG 101 HH22 0.0101 -0.0149 -0.0041 1607 ARG 101 HH21 0.0135 -0.0138 -0.0056 1608 ASP 102 N 0.0218 0.0035 -0.0107 1609 ASP 102 CA 0.0264 0.0055 -0.0108 1610 ASP 102 C 0.0268 0.0099 -0.0112 1611 ASP 102 O 0.0245 0.0104 -0.0113 1612 ASP 102 CB 0.0302 0.0021 -0.0104 1613 ASP 102 CG 0.0311 -0.0018 -0.0100 1614 ASP 102 OD1 0.0285 -0.0024 -0.0100 1615 ASP 102 OD2 0.0345 -0.0042 -0.0097 1616 ASP 102 H 0.0216 0.0010 -0.0104 1617 ASP 102 HA 0.0268 0.0061 -0.0108 1618 ASP 102 HB3 0.0334 0.0039 -0.0105 1619 ASP 102 HB2 0.0294 0.0008 -0.0103 1620 PRO 103 N 0.0469 0.0231 -0.0160 1621 PRO 103 CA 0.0458 0.0325 -0.0225 1622 PRO 103 C 0.0406 0.0274 -0.0216 1623 PRO 103 O 0.0335 0.0330 -0.0285 1624 PRO 103 CB 0.0603 0.0408 -0.0210 1625 PRO 103 CG 0.0670 0.0401 -0.0175 1626 PRO 103 CD 0.0600 0.0272 -0.0125 1627 PRO 103 HA 0.0391 0.0383 -0.0293 1628 PRO 103 HB3 0.0603 0.0506 -0.0272 1629 PRO 103 HB2 0.0661 0.0370 -0.0159 1630 PRO 103 HG3 0.0648 0.0476 -0.0232 1631 PRO 103 HG2 0.0781 0.0415 -0.0132 1632 PRO 103 HD2 0.0663 0.0203 -0.0052 1633 PRO 103 HD3 0.0588 0.0280 -0.0135 1634 GLN 104 N 0.0279 0.0135 -0.0068 1635 GLN 104 CA 0.0242 0.0110 -0.0058 1636 GLN 104 C 0.0189 0.0090 -0.0073 1637 GLN 104 O 0.0154 0.0077 -0.0085 1638 GLN 104 CB 0.0256 0.0087 -0.0002 1639 GLN 104 CG 0.0240 0.0071 0.0012 1640 GLN 104 CD 0.0253 0.0048 0.0067 1641 GLN 104 OE1 0.0244 0.0035 0.0081 1642 GLN 104 NE2 0.0274 0.0042 0.0099 1643 GLN 104 H 0.0304 0.0132 -0.0039 1644 GLN 104 HA 0.0245 0.0122 -0.0078 1645 GLN 104 HB3 0.0242 0.0068 0.0018 1646 GLN 104 HB2 0.0296 0.0102 0.0011 1647 GLN 104 HG3 0.0256 0.0090 -0.0007 1648 GLN 104 HG2 0.0200 0.0056 -0.0000 1649 GLN 104 HE22 0.0283 0.0027 0.0135 1650 GLN 104 HE21 0.0281 0.0052 0.0087 1651 GLY 105 N 0.0149 0.0086 -0.0084 1652 GLY 105 CA 0.0105 0.0069 -0.0092 1653 GLY 105 C 0.0092 0.0030 -0.0067 1654 GLY 105 O 0.0113 0.0010 -0.0039 1655 GLY 105 H 0.0167 0.0091 -0.0078 1656 GLY 105 HA3 0.0087 0.0085 -0.0115 1657 GLY 105 HA2 0.0098 0.0069 -0.0095 1658 ILE 106 N 0.0018 0.0008 -0.0042 1659 ILE 106 CA 0.0011 -0.0013 -0.0033 1660 ILE 106 C 0.0021 -0.0016 -0.0024 1661 ILE 106 O 0.0017 -0.0033 -0.0015 1662 ILE 106 CB -0.0012 -0.0017 -0.0045 1663 ILE 106 CG1 -0.0023 -0.0040 -0.0036 1664 ILE 106 CG2 -0.0018 -0.0005 -0.0057 1665 ILE 106 CD1 -0.0041 -0.0047 -0.0042 1666 ILE 106 H 0.0011 0.0017 -0.0054 1667 ILE 106 HA 0.0013 -0.0023 -0.0024 1668 ILE 106 HB -0.0018 -0.0013 -0.0051 1669 ILE 106 HG13 -0.0013 -0.0048 -0.0024 1670 ILE 106 HG12 -0.0028 -0.0043 -0.0037 1671 ILE 106 HG21 -0.0034 -0.0005 -0.0067 1672 ILE 106 HG22 -0.0009 0.0011 -0.0062 1673 ILE 106 HG23 -0.0017 -0.0010 -0.0053 1674 ILE 106 HD11 -0.0050 -0.0062 -0.0038 1675 ILE 106 HD12 -0.0035 -0.0048 -0.0038 1676 ILE 106 HD13 -0.0051 -0.0038 -0.0055 1677 ARG 107 N 0.0054 0.0006 -0.0002 1678 ARG 107 CA 0.0079 0.0000 0.0023 1679 ARG 107 C 0.0091 -0.0007 0.0034 1680 ARG 107 O 0.0112 -0.0015 0.0053 1681 ARG 107 CB 0.0087 0.0031 0.0038 1682 ARG 107 CG 0.0079 0.0037 0.0031 1683 ARG 107 CD 0.0084 0.0069 0.0043 1684 ARG 107 NE 0.0071 0.0076 0.0031 1685 ARG 107 CZ 0.0048 0.0087 0.0010 1686 ARG 107 NH1 0.0036 0.0095 -0.0002 1687 ARG 107 NH2 0.0039 0.0089 0.0000 1688 ARG 107 H 0.0046 0.0029 -0.0005 1689 ARG 107 HA 0.0084 -0.0020 0.0024 1690 ARG 107 HB3 0.0106 0.0028 0.0057 1691 ARG 107 HB2 0.0081 0.0052 0.0036 1692 ARG 107 HG3 0.0061 0.0036 0.0012 1693 ARG 107 HG2 0.0087 0.0017 0.0035 1694 ARG 107 HD3 0.0102 0.0068 0.0062 1695 ARG 107 HD2 0.0079 0.0089 0.0042 1696 ARG 107 HE 0.0080 0.0070 0.0039 1697 ARG 107 HH12 0.0019 0.0103 -0.0018 1698 ARG 107 HH11 0.0043 0.0093 0.0005 1699 ARG 107 HH22 0.0022 0.0097 -0.0016 1700 ARG 107 HH21 0.0048 0.0083 0.0009 1701 ALA 108 N 0.0115 -0.0019 -0.0009 1702 ALA 108 CA 0.0126 -0.0023 0.0013 1703 ALA 108 C 0.0118 -0.0049 0.0029 1704 ALA 108 O 0.0129 -0.0053 0.0051 1705 ALA 108 CB 0.0127 -0.0016 0.0006 1706 ALA 108 H 0.0108 -0.0014 -0.0024 1707 ALA 108 HA 0.0141 -0.0014 0.0023 1708 ALA 108 HB1 0.0136 -0.0019 0.0022 1709 ALA 108 HB2 0.0134 0.0002 -0.0004 1710 ALA 108 HB3 0.0113 -0.0025 -0.0004 1711 TRP 109 N -0.0013 -0.0060 0.0007 1712 TRP 109 CA 0.0002 -0.0074 0.0003 1713 TRP 109 C 0.0011 -0.0091 0.0025 1714 TRP 109 O 0.0017 -0.0099 0.0032 1715 TRP 109 CB 0.0015 -0.0082 -0.0021 1716 TRP 109 CG 0.0008 -0.0068 -0.0045 1717 TRP 109 CD1 0.0009 -0.0064 -0.0060 1718 TRP 109 CD2 0.0001 -0.0056 -0.0059 1719 TRP 109 NE1 0.0002 -0.0052 -0.0082 1720 TRP 109 CE2 -0.0002 -0.0047 -0.0082 1721 TRP 109 CE3 -0.0003 -0.0053 -0.0054 1722 TRP 109 CZ2 -0.0008 -0.0035 -0.0100 1723 TRP 109 CZ3 -0.0009 -0.0042 -0.0071 1724 TRP 109 CH2 -0.0012 -0.0033 -0.0095 1725 TRP 109 H -0.0010 -0.0063 0.0004 1726 TRP 109 HA -0.0003 -0.0069 -0.0000 1727 TRP 109 HB3 0.0027 -0.0094 -0.0023 1728 TRP 109 HB2 0.0020 -0.0087 -0.0019 1729 TRP 109 HD1 0.0014 -0.0071 -0.0056 1730 TRP 109 HE1 0.0003 -0.0048 -0.0096 1731 TRP 109 HE3 -0.0002 -0.0060 -0.0036 1732 TRP 109 HZ2 -0.0010 -0.0028 -0.0118 1733 TRP 109 HZ3 -0.0012 -0.0040 -0.0067 1734 TRP 109 HH2 -0.0016 -0.0024 -0.0109 1735 VAL 110 N 0.0036 -0.0079 0.0102 1736 VAL 110 CA 0.0043 -0.0086 0.0116 1737 VAL 110 C 0.0034 -0.0111 0.0106 1738 VAL 110 O 0.0036 -0.0113 0.0109 1739 VAL 110 CB 0.0060 -0.0091 0.0143 1740 VAL 110 CG1 0.0070 -0.0065 0.0154 1741 VAL 110 CG2 0.0061 -0.0118 0.0150 1742 VAL 110 H 0.0041 -0.0083 0.0110 1743 VAL 110 HA 0.0044 -0.0067 0.0114 1744 VAL 110 HB 0.0065 -0.0095 0.0153 1745 VAL 110 HG11 0.0082 -0.0068 0.0174 1746 VAL 110 HG12 0.0070 -0.0046 0.0150 1747 VAL 110 HG13 0.0066 -0.0060 0.0147 1748 VAL 110 HG21 0.0072 -0.0120 0.0169 1749 VAL 110 HG22 0.0055 -0.0117 0.0140 1750 VAL 110 HG23 0.0055 -0.0138 0.0145 1751 ALA 111 N -0.0026 -0.0095 0.0068 1752 ALA 111 CA -0.0015 -0.0109 0.0061 1753 ALA 111 C -0.0018 -0.0105 0.0062 1754 ALA 111 O -0.0007 -0.0114 0.0066 1755 ALA 111 CB -0.0016 -0.0117 0.0040 1756 ALA 111 H -0.0034 -0.0093 0.0058 1757 ALA 111 HA -0.0003 -0.0115 0.0070 1758 ALA 111 HB1 -0.0007 -0.0128 0.0036 1759 ALA 111 HB2 -0.0015 -0.0119 0.0039 1760 ALA 111 HB3 -0.0027 -0.0112 0.0031 1761 ARG 112 N -0.0012 -0.0101 0.0053 1762 ARG 112 CA -0.0020 -0.0092 0.0050 1763 ARG 112 C -0.0013 -0.0083 0.0070 1764 ARG 112 O -0.0012 -0.0085 0.0069 1765 ARG 112 CB -0.0037 -0.0074 0.0040 1766 ARG 112 CG -0.0047 -0.0061 0.0036 1767 ARG 112 CD -0.0053 -0.0071 0.0018 1768 ARG 112 NE -0.0060 -0.0058 0.0018 1769 ARG 112 CZ -0.0075 -0.0045 0.0007 1770 ARG 112 NH1 -0.0084 -0.0047 -0.0010 1771 ARG 112 NH2 -0.0080 -0.0031 0.0012 1772 ARG 112 HB2 -0.0042 -0.0081 0.0026 1773 ARG 112 HB3 -0.0037 -0.0064 0.0050 1774 ARG 112 HG2 -0.0056 -0.0047 0.0035 1775 ARG 112 HG3 -0.0041 -0.0056 0.0050 1776 ARG 112 HD2 -0.0044 -0.0086 0.0017 1777 ARG 112 HD3 -0.0060 -0.0072 0.0004 1778 ARG 112 HE -0.0053 -0.0057 0.0030 1779 ARG 112 HH12 -0.0095 -0.0037 -0.0019 1780 ARG 112 HH11 -0.0080 -0.0058 -0.0014 1781 ARG 112 HH22 -0.0091 -0.0021 0.0004 1782 ARG 112 HH21 -0.0073 -0.0030 0.0025 1783 ARG 112 H -0.0018 -0.0093 0.0053 1784 ARG 112 HA -0.0020 -0.0103 0.0040 1785 ARG 113 N 0.0030 -0.0105 0.0092 1786 ARG 113 CA 0.0042 -0.0091 0.0106 1787 ARG 113 C 0.0051 -0.0110 0.0113 1788 ARG 113 O 0.0053 -0.0102 0.0115 1789 ARG 113 CB 0.0058 -0.0078 0.0123 1790 ARG 113 CG 0.0052 -0.0060 0.0119 1791 ARG 113 CD 0.0069 -0.0047 0.0138 1792 ARG 113 NE 0.0066 -0.0039 0.0136 1793 ARG 113 CZ 0.0080 -0.0033 0.0150 1794 ARG 113 NH1 0.0098 -0.0034 0.0169 1795 ARG 113 NH2 0.0076 -0.0026 0.0147 1796 ARG 113 H 0.0035 -0.0108 0.0097 1797 ARG 113 HA 0.0033 -0.0075 0.0098 1798 ARG 113 HB3 0.0066 -0.0067 0.0132 1799 ARG 113 HB2 0.0068 -0.0094 0.0131 1800 ARG 113 HG3 0.0045 -0.0071 0.0111 1801 ARG 113 HG2 0.0041 -0.0045 0.0110 1802 ARG 113 HD3 0.0072 -0.0029 0.0143 1803 ARG 113 HD2 0.0081 -0.0061 0.0149 1804 ARG 113 HE 0.0053 -0.0038 0.0123 1805 ARG 113 HH12 0.0108 -0.0030 0.0179 1806 ARG 113 HH11 0.0102 -0.0039 0.0172 1807 ARG 113 HH22 0.0086 -0.0022 0.0157 1808 ARG 113 HH21 0.0062 -0.0025 0.0133 1809 ASN 114 N 0.0036 -0.0104 0.0154 1810 ASN 114 CA 0.0057 -0.0116 0.0158 1811 ASN 114 C 0.0061 -0.0124 0.0151 1812 ASN 114 O 0.0075 -0.0127 0.0161 1813 ASN 114 CB 0.0065 -0.0129 0.0148 1814 ASN 114 CG 0.0064 -0.0124 0.0155 1815 ASN 114 OD1 0.0061 -0.0110 0.0170 1816 ASN 114 ND2 0.0067 -0.0134 0.0143 1817 ASN 114 H 0.0030 -0.0106 0.0144 1818 ASN 114 HA 0.0065 -0.0110 0.0174 1819 ASN 114 HB3 0.0080 -0.0139 0.0150 1820 ASN 114 HB2 0.0057 -0.0135 0.0133 1821 ASN 114 HD22 0.0066 -0.0130 0.0147 1822 ASN 114 HD21 0.0069 -0.0144 0.0131 1823 ARG 115 N 0.0029 -0.0088 0.0143 1824 ARG 115 CA 0.0041 -0.0101 0.0129 1825 ARG 115 C 0.0026 -0.0092 0.0130 1826 ARG 115 O 0.0037 -0.0102 0.0122 1827 ARG 115 CB 0.0037 -0.0113 0.0096 1828 ARG 115 CG 0.0053 -0.0125 0.0089 1829 ARG 115 CD 0.0084 -0.0140 0.0094 1830 ARG 115 NE 0.0098 -0.0152 0.0084 1831 ARG 115 CZ 0.0124 -0.0169 0.0080 1832 ARG 115 NH1 0.0141 -0.0177 0.0083 1833 ARG 115 NH2 0.0135 -0.0178 0.0072 1834 ARG 115 H 0.0011 -0.0083 0.0132 1835 ARG 115 HA 0.0063 -0.0109 0.0138 1836 ARG 115 HB3 0.0045 -0.0123 0.0085 1837 ARG 115 HB2 0.0015 -0.0106 0.0086 1838 ARG 115 HG3 0.0045 -0.0131 0.0066 1839 ARG 115 HG2 0.0047 -0.0116 0.0102 1840 ARG 115 HD3 0.0093 -0.0135 0.0117 1841 ARG 115 HD2 0.0089 -0.0149 0.0081 1842 ARG 115 HE 0.0087 -0.0147 0.0082 1843 ARG 115 HH12 0.0161 -0.0189 0.0080 1844 ARG 115 HH11 0.0133 -0.0170 0.0089 1845 ARG 115 HH22 0.0155 -0.0191 0.0069 1846 ARG 115 HH21 0.0123 -0.0173 0.0069 1847 CYS 116 N 0.0018 -0.0108 0.0123 1848 CYS 116 CA -0.0004 -0.0099 0.0123 1849 CYS 116 C -0.0019 -0.0078 0.0162 1850 CYS 116 O -0.0021 -0.0073 0.0173 1851 CYS 116 CB -0.0038 -0.0097 0.0090 1852 CYS 116 SG -0.0026 -0.0120 0.0042 1853 CYS 116 H 0.0006 -0.0100 0.0130 1854 CYS 116 HA 0.0013 -0.0108 0.0118 1855 CYS 116 HB3 -0.0053 -0.0091 0.0088 1856 CYS 116 HB2 -0.0058 -0.0086 0.0097 1857 GLN 117 N 0.0024 -0.0087 0.0159 1858 GLN 117 CA 0.0016 -0.0064 0.0180 1859 GLN 117 C 0.0040 -0.0034 0.0195 1860 GLN 117 O 0.0073 -0.0032 0.0187 1861 GLN 117 CB 0.0022 -0.0074 0.0170 1862 GLN 117 CG 0.0007 -0.0054 0.0190 1863 GLN 117 CD 0.0016 -0.0060 0.0183 1864 GLN 117 OE1 0.0000 -0.0049 0.0196 1865 GLN 117 NE2 0.0041 -0.0077 0.0162 1866 GLN 117 H 0.0036 -0.0104 0.0143 1867 GLN 117 HA -0.0013 -0.0062 0.0189 1868 GLN 117 HB3 0.0051 -0.0073 0.0162 1869 GLN 117 HB2 0.0009 -0.0097 0.0156 1870 GLN 117 HG3 -0.0023 -0.0057 0.0196 1871 GLN 117 HG2 0.0017 -0.0030 0.0205 1872 GLN 117 HE22 0.0048 -0.0081 0.0157 1873 GLN 117 HE21 0.0054 -0.0085 0.0152 1874 ASN 118 N 0.0033 0.0082 0.0374 1875 ASN 118 CA 0.0080 0.0156 0.0430 1876 ASN 118 C 0.0109 0.0096 0.0408 1877 ASN 118 O 0.0174 0.0137 0.0452 1878 ASN 118 CB 0.0185 0.0218 0.0499 1879 ASN 118 CG 0.0150 0.0288 0.0525 1880 ASN 118 OD1 0.0055 0.0359 0.0531 1881 ASN 118 ND2 0.0224 0.0268 0.0540 1882 ASN 118 H -0.0058 0.0101 0.0353 1883 ASN 118 HA 0.0002 0.0222 0.0439 1884 ASN 118 HB3 0.0210 0.0276 0.0539 1885 ASN 118 HB2 0.0268 0.0156 0.0494 1886 ASN 118 HD22 0.0204 0.0313 0.0557 1887 ASN 118 HD21 0.0301 0.0209 0.0534 1888 ARG 119 N 0.0052 -0.0042 0.0328 1889 ARG 119 CA 0.0078 -0.0064 0.0311 1890 ARG 119 C 0.0054 -0.0062 0.0293 1891 ARG 119 O 0.0017 -0.0050 0.0283 1892 ARG 119 CB 0.0093 -0.0090 0.0278 1893 ARG 119 CG 0.0117 -0.0094 0.0291 1894 ARG 119 CD 0.0144 -0.0124 0.0262 1895 ARG 119 NE 0.0159 -0.0128 0.0268 1896 ARG 119 CZ 0.0197 -0.0147 0.0268 1897 ARG 119 NH1 0.0226 -0.0163 0.0265 1898 ARG 119 NH2 0.0206 -0.0149 0.0272 1899 ARG 119 H 0.0028 -0.0041 0.0309 1900 ARG 119 HA 0.0104 -0.0064 0.0333 1901 ARG 119 HB3 0.0111 -0.0106 0.0266 1902 ARG 119 HB2 0.0067 -0.0091 0.0254 1903 ARG 119 HG3 0.0097 -0.0083 0.0294 1904 ARG 119 HG2 0.0136 -0.0088 0.0320 1905 ARG 119 HD3 0.0168 -0.0134 0.0266 1906 ARG 119 HD2 0.0126 -0.0132 0.0233 1907 ARG 119 HE 0.0139 -0.0117 0.0270 1908 ARG 119 HH12 0.0254 -0.0176 0.0265 1909 ARG 119 HH11 0.0219 -0.0161 0.0262 1910 ARG 119 HH22 0.0235 -0.0162 0.0273 1911 ARG 119 HH21 0.0185 -0.0138 0.0273 1912 ASP 120 N 0.0054 -0.0077 0.0349 1913 ASP 120 CA 0.0046 -0.0081 0.0331 1914 ASP 120 C 0.0039 -0.0100 0.0259 1915 ASP 120 O 0.0083 -0.0115 0.0226 1916 ASP 120 CB 0.0107 -0.0082 0.0356 1917 ASP 120 CG 0.0104 -0.0084 0.0348 1918 ASP 120 OD1 0.0054 -0.0084 0.0324 1919 ASP 120 OD2 0.0152 -0.0085 0.0368 1920 ASP 120 H 0.0100 -0.0082 0.0355 1921 ASP 120 HA 0.0003 -0.0069 0.0353 1922 ASP 120 HB3 0.0150 -0.0094 0.0334 1923 ASP 120 HB2 0.0114 -0.0069 0.0406 1924 VAL 121 N -0.0016 -0.0092 0.0176 1925 VAL 121 CA -0.0027 -0.0101 0.0142 1926 VAL 121 C -0.0033 -0.0104 0.0131 1927 VAL 121 O -0.0044 -0.0111 0.0103 1928 VAL 121 CB -0.0056 -0.0099 0.0135 1929 VAL 121 CG1 -0.0047 -0.0099 0.0140 1930 VAL 121 CG2 -0.0087 -0.0089 0.0154 1931 VAL 121 H -0.0033 -0.0085 0.0191 1932 VAL 121 HA -0.0007 -0.0108 0.0128 1933 VAL 121 HB -0.0064 -0.0106 0.0110 1934 VAL 121 HG11 -0.0068 -0.0099 0.0132 1935 VAL 121 HG12 -0.0026 -0.0106 0.0126 1936 VAL 121 HG13 -0.0041 -0.0092 0.0164 1937 VAL 121 HG21 -0.0108 -0.0089 0.0146 1938 VAL 121 HG22 -0.0082 -0.0082 0.0179 1939 VAL 121 HG23 -0.0095 -0.0090 0.0150 1940 ARG 122 N -0.0012 -0.0091 0.0221 1941 ARG 122 CA -0.0003 -0.0095 0.0198 1942 ARG 122 C 0.0025 -0.0110 0.0158 1943 ARG 122 O 0.0021 -0.0109 0.0126 1944 ARG 122 CB 0.0012 -0.0101 0.0232 1945 ARG 122 CB 0.0014 -0.0101 0.0235 1946 ARG 122 CG 0.0045 -0.0115 0.0217 1947 ARG 122 CG -0.0012 -0.0088 0.0276 1948 ARG 122 CD 0.0054 -0.0118 0.0251 1949 ARG 122 CD -0.0053 -0.0071 0.0261 1950 ARG 122 NE 0.0065 -0.0121 0.0294 1951 ARG 122 NE -0.0048 -0.0075 0.0217 1952 ARG 122 CZ 0.0040 -0.0108 0.0329 1953 ARG 122 CZ -0.0078 -0.0063 0.0192 1954 ARG 122 NH1 0.0001 -0.0091 0.0327 1955 ARG 122 NH1 -0.0113 -0.0048 0.0188 1956 ARG 122 NH2 0.0054 -0.0113 0.0365 1957 ARG 122 NH2 -0.0072 -0.0067 0.0170 1958 ARG 122 H -0.0004 -0.0093 0.0254 1959 ARG 122 HA -0.0032 -0.0084 0.0184 1960 ARG 122 HB3 0.0024 -0.0105 0.0261 1961 ARG 122 HB3 0.0018 -0.0104 0.0219 1962 ARG 122 HB2 -0.0015 -0.0088 0.0243 1963 ARG 122 HB2 0.0044 -0.0114 0.0245 1964 ARG 122 HG3 0.0034 -0.0112 0.0186 1965 ARG 122 HG3 0.0003 -0.0094 0.0300 1966 ARG 122 HG2 0.0073 -0.0128 0.0209 1967 ARG 122 HG2 -0.0018 -0.0085 0.0291 1968 ARG 122 HD3 0.0028 -0.0106 0.0254 1969 ARG 122 HD3 -0.0062 -0.0066 0.0285 1970 ARG 122 HD2 0.0079 -0.0129 0.0240 1971 ARG 122 HD2 -0.0077 -0.0061 0.0259 1972 ARG 122 HE 0.0094 -0.0133 0.0297 1973 ARG 122 HE -0.0019 -0.0088 0.0206 1974 ARG 122 HH12 -0.0018 -0.0082 0.0353 1975 ARG 122 HH12 -0.0136 -0.0039 0.0169 1976 ARG 122 HH11 -0.0010 -0.0088 0.0299 1977 ARG 122 HH11 -0.0118 -0.0046 0.0205 1978 ARG 122 HH22 0.0036 -0.0104 0.0391 1979 ARG 122 HH22 -0.0095 -0.0058 0.0151 1980 ARG 122 HH21 0.0083 -0.0125 0.0366 1981 ARG 122 HH21 -0.0045 -0.0079 0.0173 1982 GLN 123 N 0.0020 -0.0112 0.0170 1983 GLN 123 CA 0.0044 -0.0127 0.0142 1984 GLN 123 C 0.0027 -0.0133 0.0105 1985 GLN 123 O 0.0041 -0.0143 0.0080 1986 GLN 123 CB 0.0074 -0.0134 0.0150 1987 GLN 123 CG 0.0063 -0.0130 0.0151 1988 GLN 123 CD 0.0093 -0.0138 0.0154 1989 GLN 123 OE1 0.0088 -0.0133 0.0165 1990 GLN 123 NE2 0.0124 -0.0149 0.0145 1991 GLN 123 H 0.0026 -0.0109 0.0190 1992 GLN 123 HA 0.0056 -0.0130 0.0144 1993 GLN 123 HB3 0.0089 -0.0131 0.0175 1994 GLN 123 HB2 0.0093 -0.0145 0.0130 1995 GLN 123 HG3 0.0047 -0.0132 0.0128 1996 GLN 123 HG2 0.0047 -0.0119 0.0174 1997 GLN 123 HE22 0.0144 -0.0154 0.0148 1998 GLN 123 HE21 0.0128 -0.0153 0.0137 1999 TYR 124 N -0.0026 -0.0099 0.0072 2000 TYR 124 CA -0.0038 -0.0101 0.0048 2001 TYR 124 C -0.0052 -0.0100 0.0040 2002 TYR 124 O -0.0059 -0.0103 0.0018 2003 TYR 124 CB -0.0055 -0.0098 0.0049 2004 TYR 124 CG -0.0043 -0.0099 0.0055 2005 TYR 124 CD1 -0.0028 -0.0105 0.0039 2006 TYR 124 CD2 -0.0047 -0.0095 0.0078 2007 TYR 124 CE1 -0.0016 -0.0106 0.0045 2008 TYR 124 CE2 -0.0035 -0.0096 0.0084 2009 TYR 124 CZ -0.0019 -0.0101 0.0068 2010 TYR 124 OH -0.0007 -0.0102 0.0074 2011 TYR 124 H -0.0034 -0.0096 0.0086 2012 TYR 124 HA -0.0024 -0.0106 0.0035 2013 TYR 124 HB3 -0.0064 -0.0099 0.0032 2014 TYR 124 HB2 -0.0070 -0.0093 0.0062 2015 TYR 124 HD1 -0.0025 -0.0108 0.0022 2016 TYR 124 HD2 -0.0059 -0.0091 0.0090 2017 TYR 124 HE1 -0.0004 -0.0110 0.0032 2018 TYR 124 HE2 -0.0038 -0.0093 0.0101 2019 TYR 124 HH -0.0009 -0.0099 0.0090 2020 VAL 125 N -0.0050 -0.0082 0.0064 2021 VAL 125 CA -0.0054 -0.0079 0.0055 2022 VAL 125 C -0.0035 -0.0086 0.0056 2023 VAL 125 O -0.0035 -0.0084 0.0047 2024 VAL 125 CB -0.0075 -0.0073 0.0065 2025 VAL 125 CG1 -0.0095 -0.0063 0.0057 2026 VAL 125 CG2 -0.0076 -0.0078 0.0091 2027 VAL 125 H -0.0047 -0.0087 0.0080 2028 VAL 125 HA -0.0055 -0.0074 0.0037 2029 VAL 125 HB -0.0075 -0.0071 0.0059 2030 VAL 125 HG11 -0.0109 -0.0059 0.0065 2031 VAL 125 HG12 -0.0095 -0.0059 0.0039 2032 VAL 125 HG13 -0.0095 -0.0064 0.0060 2033 VAL 125 HG21 -0.0090 -0.0074 0.0097 2034 VAL 125 HG22 -0.0077 -0.0079 0.0098 2035 VAL 125 HG23 -0.0062 -0.0084 0.0097 2036 GLN 126 N 0.0003 -0.0117 0.0109 2037 GLN 126 CA 0.0023 -0.0126 0.0111 2038 GLN 126 C 0.0034 -0.0133 0.0080 2039 GLN 126 O 0.0042 -0.0137 0.0063 2040 GLN 126 CB 0.0045 -0.0136 0.0134 2041 GLN 126 CB 0.0043 -0.0135 0.0135 2042 GLN 126 CG 0.0064 -0.0146 0.0127 2043 GLN 126 CG 0.0035 -0.0130 0.0161 2044 GLN 126 CD 0.0093 -0.0160 0.0133 2045 GLN 126 CD 0.0019 -0.0122 0.0184 2046 GLN 126 OE1 0.0107 -0.0166 0.0147 2047 GLN 126 OE1 0.0003 -0.0114 0.0176 2048 GLN 126 NE2 0.0103 -0.0165 0.0122 2049 GLN 126 NE2 0.0024 -0.0123 0.0212 2050 GLN 126 H 0.0008 -0.0119 0.0120 2051 GLN 126 HA 0.0012 -0.0121 0.0118 2052 GLN 126 HB3 0.0035 -0.0131 0.0155 2053 GLN 126 HB3 0.0051 -0.0139 0.0142 2054 GLN 126 HB2 0.0056 -0.0142 0.0137 2055 GLN 126 HB2 0.0061 -0.0144 0.0125 2056 GLN 126 HG3 0.0061 -0.0145 0.0105 2057 GLN 126 HG3 0.0052 -0.0139 0.0172 2058 GLN 126 HG2 0.0058 -0.0142 0.0141 2059 GLN 126 HG2 0.0023 -0.0125 0.0154 2060 GLN 126 HE22 0.0123 -0.0174 0.0125 2061 GLN 126 HE22 0.0014 -0.0118 0.0228 2062 GLN 126 HE21 0.0091 -0.0160 0.0110 2063 GLN 126 HE21 0.0037 -0.0130 0.0217 2064 GLY 127 N 0.0032 -0.0128 0.0095 2065 GLY 127 CA 0.0044 -0.0127 0.0077 2066 GLY 127 C 0.0038 -0.0111 0.0062 2067 GLY 127 O 0.0048 -0.0109 0.0047 2068 GLY 127 H 0.0031 -0.0131 0.0101 2069 GLY 127 HA3 0.0051 -0.0133 0.0076 2070 GLY 127 HA2 0.0052 -0.0133 0.0075 2071 CYS 128 N -0.0006 -0.0071 0.0054 2072 CYS 128 CA -0.0013 -0.0055 0.0042 2073 CYS 128 C -0.0009 -0.0053 0.0037 2074 CYS 128 O -0.0012 -0.0040 0.0026 2075 CYS 128 CB -0.0034 -0.0049 0.0046 2076 CYS 128 SG -0.0041 -0.0050 0.0049 2077 CYS 128 H -0.0015 -0.0077 0.0064 2078 CYS 128 HA -0.0005 -0.0049 0.0032 2079 CYS 128 HB3 -0.0039 -0.0038 0.0037 2080 CYS 128 HB2 -0.0042 -0.0056 0.0055 2081 GLY 129 N -0.0011 -0.0066 0.0050 2082 GLY 129 CA -0.0005 -0.0062 0.0041 2083 GLY 129 C -0.0024 -0.0050 0.0047 2084 GLY 129 O -0.0023 -0.0039 0.0035 2085 GLY 129 H -0.0008 -0.0081 0.0062 2086 GLY 129 HA3 0.0005 -0.0053 0.0025 2087 GLY 129 HA2 0.0006 -0.0077 0.0046 2088 VAL 130 N -0.0052 -0.0036 0.0053 2089 VAL 130 CA -0.0060 -0.0036 0.0055 2090 VAL 130 C -0.0063 -0.0046 0.0061 2091 VAL 130 O -0.0069 -0.0047 0.0063 2092 VAL 130 CB -0.0071 -0.0030 0.0055 2093 VAL 130 CG1 -0.0069 -0.0019 0.0048 2094 VAL 130 CG2 -0.0075 -0.0035 0.0058 2095 VAL 130 OXT -0.0058 -0.0054 0.0064 2096 VAL 130 H -0.0053 -0.0039 0.0055 2097 VAL 130 HA -0.0058 -0.0032 0.0052 2098 VAL 130 HB -0.0077 -0.0030 0.0056 2099 VAL 130 HG11 -0.0077 -0.0015 0.0048 2100 VAL 130 HG12 -0.0067 -0.0016 0.0046 2101 VAL 130 HG13 -0.0063 -0.0019 0.0046 2102 VAL 130 HG21 -0.0082 -0.0030 0.0058 2103 VAL 130 HG22 -0.0069 -0.0036 0.0057 2104 VAL 130 HG23 -0.0078 -0.0042 0.0063