REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2x4y_1_G DATA FIRST_RESID 1080 DATA SEQUENCE DSPLDALDLV WAKCRGYPSY PALIIDPKMP REGMFHHGVP IPVPPLEVLK DATA SEQUENCE LGEQMTQEAR EHLYLVLFFD NKRTWQWLPR TKLVPLGVNQ DLDKEKMLEG DATA SEQUENCE RKSNIRKSVQ IAYHRALQHR SKVQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1080 D HA 0.000 nan 4.640 nan 0.000 0.175 1080 D C 0.000 176.339 176.300 0.065 0.000 2.045 1080 D CA 0.000 54.034 54.000 0.057 0.000 0.868 1080 D CB 0.000 40.830 40.800 0.051 0.000 0.688 1081 S N 1.275 117.007 115.700 0.054 0.000 2.563 1081 S HA 0.401 4.871 4.470 -0.000 0.000 0.284 1081 S C -2.431 172.217 174.600 0.081 0.000 1.331 1081 S CA -0.710 57.525 58.200 0.058 0.000 1.047 1081 S CB 0.776 64.003 63.200 0.045 0.000 0.859 1081 S HN -0.035 nan 8.310 nan 0.000 0.514 1082 P HA 0.252 nan 4.420 nan 0.000 0.268 1082 P C -0.661 176.716 177.300 0.128 0.000 1.205 1082 P CA -0.200 63.003 63.100 0.172 0.000 0.771 1082 P CB 0.300 32.075 31.700 0.126 0.000 0.858 1083 L N 2.301 123.608 121.223 0.141 0.000 2.352 1083 L HA 0.456 4.796 4.340 -0.000 0.000 0.269 1083 L C 0.439 177.392 176.870 0.139 0.000 1.034 1083 L CA -0.831 54.027 54.840 0.030 0.000 0.806 1083 L CB 0.963 42.891 42.059 -0.218 0.000 1.244 1083 L HN 0.236 nan 8.230 nan 0.000 0.447 1084 D N 0.507 120.956 120.400 0.080 0.000 2.268 1084 D HA 0.431 5.071 4.640 -0.000 0.000 0.249 1084 D C -0.076 176.266 176.300 0.069 0.000 1.008 1084 D CA -0.306 53.748 54.000 0.090 0.000 0.939 1084 D CB 1.899 42.733 40.800 0.057 0.000 1.170 1084 D HN 0.579 nan 8.370 nan 0.000 0.468 1085 A N 1.113 123.968 122.820 0.060 0.000 2.531 1085 A HA 0.228 4.548 4.320 -0.000 0.000 0.236 1085 A C 1.164 178.719 177.584 -0.048 0.000 1.062 1085 A CA 0.167 52.210 52.037 0.009 0.000 0.760 1085 A CB -0.340 18.652 19.000 -0.014 0.000 0.995 1085 A HN 0.789 nan 8.150 nan 0.000 0.501 1086 L N -0.698 120.484 121.223 -0.067 0.000 4.950 1086 L HA -0.192 4.148 4.340 -0.000 0.000 0.413 1086 L C -0.322 176.559 176.870 0.019 0.000 1.020 1086 L CA 0.513 55.316 54.840 -0.063 0.000 1.239 1086 L CB -2.066 39.877 42.059 -0.195 0.000 2.004 1086 L HN 0.675 nan 8.230 nan 0.000 0.658 1087 D N 1.204 121.605 120.400 0.002 0.000 2.382 1087 D HA 0.488 5.128 4.640 -0.000 0.000 0.245 1087 D C 0.347 176.638 176.300 -0.015 0.000 1.120 1087 D CA 0.015 54.022 54.000 0.011 0.000 0.890 1087 D CB 0.946 41.739 40.800 -0.012 0.000 1.201 1087 D HN 0.110 nan 8.370 nan 0.000 0.433 1088 L N 1.935 123.156 121.223 -0.003 0.000 2.305 1088 L HA 0.417 4.757 4.340 -0.000 0.000 0.281 1088 L C 0.143 176.967 176.870 -0.076 0.000 1.085 1088 L CA -0.650 54.167 54.840 -0.038 0.000 0.813 1088 L CB 0.981 42.996 42.059 -0.073 0.000 1.157 1088 L HN 0.153 nan 8.230 nan 0.000 0.436 1089 V N -1.017 118.832 119.914 -0.108 0.000 3.078 1089 V HA 0.524 4.644 4.120 -0.000 0.000 0.311 1089 V C -1.391 174.627 176.094 -0.126 0.000 1.138 1089 V CA -1.084 61.169 62.300 -0.078 0.000 1.007 1089 V CB 1.752 33.539 31.823 -0.059 0.000 1.045 1089 V HN 0.661 nan 8.190 nan 0.000 0.432 1090 W N 1.519 122.856 121.300 0.062 0.000 2.338 1090 W HA 0.773 5.433 4.660 -0.000 0.000 0.307 1090 W C 0.310 176.893 176.519 0.106 0.000 1.167 1090 W CA 0.083 57.489 57.345 0.101 0.000 1.208 1090 W CB 1.613 31.117 29.460 0.073 0.000 1.228 1090 W HN 0.971 nan 8.180 nan 0.000 0.499 1091 A N 3.806 126.863 122.820 0.394 0.000 2.330 1091 A HA 0.635 4.955 4.320 -0.000 0.000 0.313 1091 A C -1.112 176.719 177.584 0.412 0.000 1.124 1091 A CA -0.958 51.266 52.037 0.312 0.000 0.774 1091 A CB 1.154 20.245 19.000 0.151 0.000 1.198 1091 A HN 0.418 nan 8.150 nan 0.000 0.465 1092 K N 2.086 122.667 120.400 0.302 0.000 2.316 1092 K HA 0.551 4.871 4.320 -0.000 0.000 0.267 1092 K C -1.090 175.665 176.600 0.259 0.000 1.025 1092 K CA -0.139 56.311 56.287 0.273 0.000 0.896 1092 K CB 0.300 32.916 32.500 0.194 0.000 1.124 1092 K HN 0.667 nan 8.250 nan 0.000 0.451 1093 C N 4.196 123.671 119.300 0.292 0.000 2.365 1093 C HA 0.524 4.983 4.460 -0.000 0.000 0.349 1093 C C -0.128 174.994 174.990 0.221 0.000 1.191 1093 C CA -1.025 58.160 59.018 0.278 0.000 2.114 1093 C CB 0.633 28.584 27.740 0.351 0.000 2.367 1093 C HN 0.881 nan 8.230 nan 0.000 0.530 1094 R N 1.507 122.097 120.500 0.150 0.000 2.522 1094 R HA 0.402 4.742 4.340 -0.000 0.000 0.284 1094 R C 0.871 177.153 176.300 -0.031 0.000 1.032 1094 R CA 0.734 56.872 56.100 0.065 0.000 1.049 1094 R CB -0.465 29.860 30.300 0.041 0.000 0.956 1094 R HN 1.291 nan 8.270 nan 0.000 0.422 1095 G N 1.189 109.946 108.800 -0.072 0.000 2.160 1095 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.251 1095 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.251 1095 G C -0.830 173.834 174.900 -0.394 0.000 1.008 1095 G CA 0.387 45.354 45.100 -0.221 0.000 0.724 1095 G HN 0.656 nan 8.290 nan 0.000 0.514 1096 Y N -0.261 120.050 120.300 0.018 0.000 2.553 1096 Y HA 0.609 5.158 4.550 -0.000 0.000 0.347 1096 Y C -2.044 173.894 175.900 0.062 0.000 1.019 1096 Y CA -2.227 55.884 58.100 0.019 0.000 1.032 1096 Y CB 2.097 40.537 38.460 -0.034 0.000 1.284 1096 Y HN -0.002 nan 8.280 nan 0.000 0.466 1097 P HA 0.149 nan 4.420 nan 0.000 0.274 1097 P C -0.583 176.880 177.300 0.272 0.000 1.256 1097 P CA -0.358 62.861 63.100 0.199 0.000 0.795 1097 P CB 0.855 32.653 31.700 0.164 0.000 1.038 1098 S N 0.161 115.999 115.700 0.230 0.000 2.558 1098 S HA 0.076 4.546 4.470 -0.000 0.000 0.288 1098 S C -0.315 174.623 174.600 0.563 0.000 1.318 1098 S CA 0.539 58.957 58.200 0.363 0.000 1.056 1098 S CB -0.547 62.797 63.200 0.240 0.000 0.853 1098 S HN 0.422 nan 8.310 nan 0.000 0.505 1099 Y N 2.670 123.256 120.300 0.476 0.000 2.492 1099 Y HA 0.410 4.960 4.550 -0.000 0.000 0.346 1099 Y C -2.712 173.360 175.900 0.287 0.000 0.997 1099 Y CA -2.333 55.985 58.100 0.364 0.000 1.025 1099 Y CB 1.772 40.294 38.460 0.103 0.000 1.263 1099 Y HN 0.415 nan 8.280 nan 0.000 0.454 1100 P HA 0.415 nan 4.420 nan 0.000 0.271 1100 P C -1.343 176.152 177.300 0.325 0.000 1.216 1100 P CA 0.279 63.291 63.100 -0.146 0.000 0.776 1100 P CB 0.967 32.438 31.700 -0.381 0.000 0.881 1101 A N 2.643 125.551 122.820 0.147 0.000 2.581 1101 A HA 0.716 5.036 4.320 -0.000 0.000 0.290 1101 A C -2.029 175.484 177.584 -0.119 0.000 1.119 1101 A CA -0.508 51.486 52.037 -0.071 0.000 0.670 1101 A CB 0.927 19.679 19.000 -0.413 0.000 1.280 1101 A HN 0.461 nan 8.150 nan 0.000 0.425 1102 L N 0.859 121.856 121.223 -0.377 0.000 2.341 1102 L HA 0.664 5.004 4.340 -0.000 0.000 0.278 1102 L C -0.820 175.880 176.870 -0.283 0.000 1.005 1102 L CA -0.421 54.238 54.840 -0.300 0.000 0.818 1102 L CB 1.211 42.970 42.059 -0.500 0.000 1.259 1102 L HN 0.599 nan 8.230 nan 0.000 0.418 1103 I N 5.725 126.192 120.570 -0.173 0.000 2.471 1103 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 1103 I C -0.256 175.803 176.117 -0.097 0.000 1.079 1103 I CA -0.041 61.189 61.300 -0.116 0.000 1.398 1103 I CB 0.576 38.549 38.000 -0.044 0.000 1.403 1103 I HN 0.378 nan 8.210 nan 0.000 0.530 1104 I N 5.172 125.694 120.570 -0.080 0.000 2.493 1104 I HA 0.211 4.380 4.170 -0.000 0.000 0.298 1104 I C -0.082 176.020 176.117 -0.026 0.000 0.998 1104 I CA -0.504 60.772 61.300 -0.041 0.000 1.137 1104 I CB 1.732 39.767 38.000 0.057 0.000 1.310 1104 I HN 0.481 nan 8.210 nan 0.000 0.445 1105 D N 7.734 128.124 120.400 -0.017 0.000 2.325 1105 D HA 0.219 4.859 4.640 -0.000 0.000 0.251 1105 D C -1.828 174.469 176.300 -0.004 0.000 1.196 1105 D CA -1.851 52.150 54.000 0.003 0.000 0.866 1105 D CB 1.803 42.601 40.800 -0.004 0.000 1.101 1105 D HN 0.151 nan 8.370 nan 0.000 0.476 1106 P HA -0.046 nan 4.420 nan 0.000 0.226 1106 P C 0.497 177.809 177.300 0.021 0.000 1.153 1106 P CA 0.742 63.865 63.100 0.039 0.000 0.777 1106 P CB 0.340 32.167 31.700 0.211 0.000 0.794 1107 K N -0.384 120.029 120.400 0.021 0.000 2.410 1107 K HA 0.194 4.513 4.320 -0.000 0.000 0.200 1107 K C 1.011 177.607 176.600 -0.006 0.000 1.023 1107 K CA -0.199 56.093 56.287 0.008 0.000 1.149 1107 K CB -0.910 31.599 32.500 0.014 0.000 0.859 1107 K HN 0.396 nan 8.250 nan 0.000 0.514 1108 M N 0.424 120.015 119.600 -0.015 0.000 2.245 1108 M HA 0.176 4.656 4.480 -0.000 0.000 0.312 1108 M C -2.027 174.259 176.300 -0.023 0.000 1.070 1108 M CA -1.153 54.134 55.300 -0.022 0.000 1.162 1108 M CB -0.766 31.816 32.600 -0.031 0.000 1.448 1108 M HN -0.283 nan 8.290 nan 0.000 0.446 1109 P HA 0.052 nan 4.420 nan 0.000 0.265 1109 P C -0.009 177.275 177.300 -0.027 0.000 1.193 1109 P CA -0.100 62.988 63.100 -0.019 0.000 0.765 1109 P CB 0.407 32.099 31.700 -0.013 0.000 0.823 1110 R N 2.691 123.176 120.500 -0.024 0.000 2.189 1110 R HA -0.102 4.238 4.340 -0.000 0.000 0.223 1110 R C 1.141 177.425 176.300 -0.027 0.000 1.092 1110 R CA 1.224 57.307 56.100 -0.029 0.000 0.989 1110 R CB -0.387 29.898 30.300 -0.025 0.000 0.876 1110 R HN 0.633 nan 8.270 nan 0.000 0.457 1111 E N 0.201 120.389 120.200 -0.020 0.000 2.502 1111 E HA 0.140 4.490 4.350 -0.000 0.000 0.194 1111 E C 0.427 177.004 176.600 -0.037 0.000 1.062 1111 E CA 0.295 56.685 56.400 -0.016 0.000 0.867 1111 E CB 0.249 29.950 29.700 0.001 0.000 0.888 1111 E HN 0.408 nan 8.360 nan 0.000 0.510 1112 G N 1.435 110.200 108.800 -0.058 0.000 2.631 1112 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.504 1112 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.504 1112 G C -0.469 174.349 174.900 -0.136 0.000 1.306 1112 G CA -0.298 44.733 45.100 -0.116 0.000 0.897 1112 G HN 0.178 nan 8.290 nan 0.000 0.520 1113 M N -2.399 117.045 119.600 -0.260 0.000 2.895 1113 M HA 0.802 5.282 4.480 -0.000 0.000 0.271 1113 M C -1.873 174.171 176.300 -0.428 0.000 1.174 1113 M CA -1.078 54.096 55.300 -0.210 0.000 0.816 1113 M CB 1.505 34.070 32.600 -0.059 0.000 1.647 1113 M HN 0.744 nan 8.290 nan 0.000 0.506 1114 F N 0.333 120.307 119.950 0.039 0.000 2.508 1114 F HA 0.621 5.148 4.527 -0.000 0.000 0.325 1114 F C -0.504 175.340 175.800 0.074 0.000 1.090 1114 F CA -0.365 57.667 58.000 0.053 0.000 0.945 1114 F CB 1.549 40.568 39.000 0.033 0.000 1.156 1114 F HN 0.698 nan 8.300 nan 0.000 0.463 1115 H N 2.764 121.903 119.070 0.116 0.000 2.638 1115 H HA 0.323 4.879 4.556 -0.000 0.000 0.317 1115 H C -0.201 175.116 175.328 -0.019 0.000 1.006 1115 H CA -0.961 55.061 56.048 -0.043 0.000 1.222 1115 H CB -0.038 29.716 29.762 -0.014 0.000 1.419 1115 H HN 0.550 nan 8.280 nan 0.000 0.489 1116 H N 3.969 122.977 119.070 -0.103 0.000 2.557 1116 H HA -0.205 4.350 4.556 -0.000 0.000 0.319 1116 H C 1.503 176.804 175.328 -0.045 0.000 1.102 1116 H CA 1.499 57.468 56.048 -0.131 0.000 1.126 1116 H CB -1.481 28.117 29.762 -0.273 0.000 1.498 1116 H HN 1.103 nan 8.280 nan 0.000 0.411 1117 G N -1.655 107.213 108.800 0.113 0.000 2.184 1117 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.264 1117 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.264 1117 G C 0.346 175.385 174.900 0.232 0.000 0.975 1117 G CA 0.279 45.438 45.100 0.100 0.000 0.642 1117 G HN 0.533 nan 8.290 nan 0.000 0.536 1118 V N 2.677 122.733 119.914 0.238 0.000 2.432 1118 V HA 0.487 4.607 4.120 -0.000 0.000 0.275 1118 V C -1.598 174.655 176.094 0.265 0.000 1.043 1118 V CA -1.611 60.828 62.300 0.230 0.000 0.925 1118 V CB 1.506 33.401 31.823 0.120 0.000 0.985 1118 V HN 0.182 nan 8.190 nan 0.000 0.466 1119 P HA 0.287 nan 4.420 nan 0.000 0.276 1119 P C -0.868 176.385 177.300 -0.079 0.000 1.243 1119 P CA -0.168 62.835 63.100 -0.163 0.000 0.768 1119 P CB 0.631 32.250 31.700 -0.136 0.000 0.856 1120 I N 5.528 126.021 120.570 -0.129 0.000 2.336 1120 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 1120 I C -2.060 174.017 176.117 -0.067 0.000 0.991 1120 I CA -3.140 58.127 61.300 -0.056 0.000 1.227 1120 I CB 0.643 38.619 38.000 -0.040 0.000 1.366 1120 I HN 0.143 nan 8.210 nan 0.000 0.466 1121 P HA 0.185 nan 4.420 nan 0.000 0.272 1121 P C -0.491 176.897 177.300 0.146 0.000 1.223 1121 P CA -0.235 62.887 63.100 0.036 0.000 0.784 1121 P CB 0.740 32.448 31.700 0.014 0.000 0.923 1122 V N 4.410 124.399 119.914 0.124 0.000 2.427 1122 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 1122 V C -2.017 174.072 176.094 -0.009 0.000 1.034 1122 V CA -1.795 60.532 62.300 0.046 0.000 0.893 1122 V CB 1.165 32.978 31.823 -0.016 0.000 0.982 1122 V HN 0.575 nan 8.190 nan 0.000 0.452 1123 P HA 0.311 nan 4.420 nan 0.000 0.276 1123 P C -2.732 174.294 177.300 -0.456 0.000 1.230 1123 P CA -1.812 60.786 63.100 -0.836 0.000 0.776 1123 P CB 0.081 31.204 31.700 -0.961 0.000 0.888 1124 P HA 0.054 nan 4.420 nan 0.000 0.265 1124 P C 1.307 178.488 177.300 -0.197 0.000 1.187 1124 P CA 0.150 63.113 63.100 -0.229 0.000 0.766 1124 P CB 0.343 31.930 31.700 -0.189 0.000 0.820 1125 L N 1.682 122.836 121.223 -0.115 0.000 2.089 1125 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 1125 L C 2.268 179.093 176.870 -0.074 0.000 1.079 1125 L CA 1.774 56.564 54.840 -0.083 0.000 0.758 1125 L CB -0.620 41.405 42.059 -0.057 0.000 0.891 1125 L HN 0.532 nan 8.230 nan 0.000 0.433 1126 E N -0.055 120.102 120.200 -0.071 0.000 2.077 1126 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 1126 E C 2.240 178.818 176.600 -0.037 0.000 0.989 1126 E CA 1.248 57.620 56.400 -0.047 0.000 0.800 1126 E CB 0.132 29.813 29.700 -0.031 0.000 0.746 1126 E HN 0.268 nan 8.360 nan 0.000 0.452 1127 V N 1.249 121.113 119.914 -0.084 0.000 2.343 1127 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 1127 V C 2.361 178.551 176.094 0.161 0.000 1.051 1127 V CA 1.403 63.687 62.300 -0.027 0.000 1.036 1127 V CB -0.378 31.196 31.823 -0.415 0.000 0.654 1127 V HN 0.365 nan 8.190 nan 0.000 0.451 1128 L N -0.241 121.006 121.223 0.040 0.000 2.093 1128 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 1128 L C 2.558 179.388 176.870 -0.066 0.000 1.085 1128 L CA 1.939 56.831 54.840 0.087 0.000 0.755 1128 L CB -0.613 41.450 42.059 0.006 0.000 0.904 1128 L HN 0.339 nan 8.230 nan 0.000 0.435 1129 K N 0.712 121.067 120.400 -0.074 0.000 2.026 1129 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 1129 K C 2.219 178.718 176.600 -0.168 0.000 1.048 1129 K CA 1.202 57.422 56.287 -0.112 0.000 0.929 1129 K CB -0.137 32.318 32.500 -0.075 0.000 0.713 1129 K HN 0.162 nan 8.250 nan 0.000 0.439 1130 L N 0.719 121.866 121.223 -0.127 0.000 2.013 1130 L HA -0.175 4.164 4.340 -0.000 0.000 0.212 1130 L C 2.302 178.899 176.870 -0.456 0.000 1.073 1130 L CA 2.156 56.902 54.840 -0.158 0.000 0.753 1130 L CB -1.160 40.900 42.059 0.003 0.000 0.890 1130 L HN 0.578 nan 8.230 nan 0.000 0.432 1131 G N -0.645 107.633 108.800 -0.870 0.000 2.491 1131 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 1131 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 1131 G C 1.340 175.608 174.900 -1.053 0.000 1.180 1131 G CA 0.961 44.837 45.100 -2.040 0.000 0.774 1131 G HN 0.488 nan 8.290 nan 0.000 0.562 1132 E N 0.092 119.921 120.200 -0.618 0.000 2.077 1132 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 1132 E C 2.754 179.179 176.600 -0.291 0.000 0.989 1132 E CA 1.125 57.301 56.400 -0.374 0.000 0.800 1132 E CB -0.128 29.430 29.700 -0.237 0.000 0.746 1132 E HN 0.573 nan 8.360 nan 0.000 0.452 1133 Q N 0.072 119.714 119.800 -0.262 0.000 2.061 1133 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 1133 Q C 2.237 178.129 176.000 -0.181 0.000 0.984 1133 Q CA 1.526 57.220 55.803 -0.182 0.000 0.846 1133 Q CB -0.156 28.498 28.738 -0.139 0.000 0.902 1133 Q HN 0.346 nan 8.270 nan 0.000 0.421 1134 M N -0.125 119.330 119.600 -0.242 0.000 2.175 1134 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 1134 M C 2.147 178.345 176.300 -0.171 0.000 1.063 1134 M CA 1.280 56.472 55.300 -0.179 0.000 1.119 1134 M CB -0.259 32.230 32.600 -0.184 0.000 1.377 1134 M HN 0.179 nan 8.290 nan 0.000 0.415 1135 T N 0.265 114.665 114.554 -0.256 0.000 2.777 1135 T HA -0.165 4.184 4.350 -0.000 0.000 0.266 1135 T C 1.767 176.395 174.700 -0.120 0.000 1.040 1135 T CA 1.250 63.235 62.100 -0.191 0.000 1.141 1135 T CB -0.234 68.486 68.868 -0.247 0.000 0.868 1135 T HN 0.470 nan 8.240 nan 0.000 0.444 1136 Q N 0.474 120.198 119.800 -0.127 0.000 2.224 1136 Q HA -0.062 4.278 4.340 -0.000 0.000 0.203 1136 Q C 2.251 178.214 176.000 -0.062 0.000 0.970 1136 Q CA 0.991 56.744 55.803 -0.084 0.000 0.865 1136 Q CB -0.047 28.639 28.738 -0.086 0.000 0.922 1136 Q HN 0.629 nan 8.270 nan 0.000 0.445 1137 E N 0.308 120.469 120.200 -0.066 0.000 2.112 1137 E HA -0.080 4.269 4.350 -0.000 0.000 0.190 1137 E C 1.789 178.372 176.600 -0.028 0.000 0.979 1137 E CA 0.855 57.230 56.400 -0.042 0.000 0.814 1137 E CB 0.020 29.696 29.700 -0.041 0.000 0.762 1137 E HN 0.317 nan 8.360 nan 0.000 0.460 1138 A N 0.795 123.598 122.820 -0.030 0.000 2.072 1138 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 1138 A C 0.829 178.412 177.584 -0.003 0.000 1.156 1138 A CA 0.161 52.192 52.037 -0.009 0.000 0.701 1138 A CB -0.037 18.962 19.000 -0.003 0.000 0.816 1138 A HN 0.077 nan 8.150 nan 0.000 0.458 1139 R N -0.451 120.041 120.500 -0.013 0.000 3.251 1139 R HA -0.172 4.168 4.340 -0.000 0.000 0.249 1139 R C -0.240 176.068 176.300 0.014 0.000 0.949 1139 R CA 1.316 57.413 56.100 -0.004 0.000 0.645 1139 R CB -1.834 28.465 30.300 -0.000 0.000 1.065 1139 R HN 0.824 nan 8.270 nan 0.000 0.452 1140 E N -0.689 119.521 120.200 0.017 0.000 2.352 1140 E HA 0.176 4.526 4.350 -0.000 0.000 0.280 1140 E C -1.269 175.364 176.600 0.055 0.000 0.930 1140 E CA -1.012 55.418 56.400 0.049 0.000 0.765 1140 E CB 0.956 30.688 29.700 0.054 0.000 1.219 1140 E HN 0.325 nan 8.360 nan 0.000 0.434 1141 H N 4.016 123.079 119.070 -0.011 0.000 2.886 1141 H HA 0.311 4.867 4.556 -0.000 0.000 0.329 1141 H C -0.986 174.326 175.328 -0.026 0.000 1.044 1141 H CA 0.492 56.505 56.048 -0.057 0.000 1.456 1141 H CB 0.386 30.081 29.762 -0.112 0.000 1.464 1141 H HN 0.299 nan 8.280 nan 0.000 0.573 1142 L N 6.080 126.957 121.223 -0.576 0.000 2.341 1142 L HA 0.296 4.636 4.340 -0.000 0.000 0.278 1142 L C -0.745 175.909 176.870 -0.361 0.000 1.005 1142 L CA -1.001 53.704 54.840 -0.226 0.000 0.818 1142 L CB 1.204 43.306 42.059 0.072 0.000 1.259 1142 L HN 0.635 nan 8.230 nan 0.000 0.418 1143 Y N 2.380 122.642 120.300 -0.063 0.000 2.309 1143 Y HA 0.276 4.826 4.550 -0.000 0.000 0.327 1143 Y C 0.153 175.979 175.900 -0.122 0.000 1.172 1143 Y CA -0.377 57.705 58.100 -0.031 0.000 1.280 1143 Y CB 1.265 39.722 38.460 -0.005 0.000 1.234 1143 Y HN 0.354 nan 8.280 nan 0.000 0.512 1144 L N 5.560 126.629 121.223 -0.256 0.000 2.281 1144 L HA 0.515 4.855 4.340 -0.000 0.000 0.285 1144 L C -0.510 176.152 176.870 -0.346 0.000 1.074 1144 L CA -0.470 53.922 54.840 -0.747 0.000 0.817 1144 L CB 0.187 41.646 42.059 -1.000 0.000 1.168 1144 L HN 0.441 nan 8.230 nan 0.000 0.434 1145 V N 3.809 123.497 119.914 -0.376 0.000 2.715 1145 V HA 0.681 4.801 4.120 -0.000 0.000 0.310 1145 V C -0.980 174.790 176.094 -0.541 0.000 1.054 1145 V CA -0.988 61.057 62.300 -0.425 0.000 0.928 1145 V CB 1.825 33.333 31.823 -0.525 0.000 1.007 1145 V HN 0.766 nan 8.190 nan 0.000 0.437 1146 L N 3.982 124.788 121.223 -0.696 0.000 2.325 1146 L HA 0.712 5.052 4.340 -0.000 0.000 0.281 1146 L C -0.772 175.575 176.870 -0.873 0.000 1.004 1146 L CA -0.235 54.021 54.840 -0.974 0.000 0.823 1146 L CB 1.035 42.373 42.059 -1.202 0.000 1.236 1146 L HN 0.666 nan 8.230 nan 0.000 0.415 1147 F N 4.214 123.837 119.950 -0.545 0.000 2.410 1147 F HA 0.225 4.751 4.527 -0.000 0.000 0.334 1147 F C 0.623 176.176 175.800 -0.411 0.000 1.134 1147 F CA 0.362 58.154 58.000 -0.346 0.000 1.227 1147 F CB 0.408 39.227 39.000 -0.301 0.000 1.194 1147 F HN 0.388 nan 8.300 nan 0.000 0.571 1148 F N 0.920 120.978 119.950 0.179 0.000 2.757 1148 F HA 0.078 4.605 4.527 -0.000 0.000 0.292 1148 F C 0.702 176.612 175.800 0.182 0.000 1.204 1148 F CA -0.757 57.289 58.000 0.076 0.000 1.417 1148 F CB -1.193 37.796 39.000 -0.018 0.000 1.001 1148 F HN 0.316 nan 8.300 nan 0.000 0.508 1149 D N -1.803 118.768 120.400 0.284 0.000 2.377 1149 D HA -0.016 4.624 4.640 -0.000 0.000 0.245 1149 D C 1.052 177.386 176.300 0.057 0.000 1.196 1149 D CA -0.296 53.800 54.000 0.160 0.000 0.962 1149 D CB 0.518 41.221 40.800 -0.162 0.000 1.127 1149 D HN -0.123 nan 8.370 nan 0.000 0.471 1150 N N 0.167 118.891 118.700 0.040 0.000 2.094 1150 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 1150 N C 1.218 176.719 175.510 -0.015 0.000 1.023 1150 N CA 1.260 54.322 53.050 0.020 0.000 0.857 1150 N CB -0.193 38.303 38.487 0.015 0.000 1.013 1150 N HN 0.501 nan 8.380 nan 0.000 0.426 1151 K N 0.247 120.619 120.400 -0.047 0.000 2.426 1151 K HA 0.148 4.468 4.320 -0.000 0.000 0.193 1151 K C -0.386 176.156 176.600 -0.097 0.000 1.028 1151 K CA -0.153 56.099 56.287 -0.058 0.000 1.047 1151 K CB 0.420 32.886 32.500 -0.056 0.000 0.821 1151 K HN -0.039 nan 8.250 nan 0.000 0.513 1152 R N 1.486 121.904 120.500 -0.136 0.000 2.992 1152 R HA -0.110 4.230 4.340 -0.000 0.000 0.263 1152 R C -0.425 175.660 176.300 -0.357 0.000 0.902 1152 R CA 0.991 56.933 56.100 -0.264 0.000 0.667 1152 R CB -2.950 27.181 30.300 -0.282 0.000 1.504 1152 R HN 0.466 nan 8.270 nan 0.000 0.489 1153 T N -2.402 112.000 114.554 -0.254 0.000 2.944 1153 T HA 0.717 5.067 4.350 -0.000 0.000 0.284 1153 T C 0.285 174.873 174.700 -0.188 0.000 1.010 1153 T CA -0.791 61.222 62.100 -0.146 0.000 1.025 1153 T CB 1.701 70.549 68.868 -0.034 0.000 1.079 1153 T HN 0.363 nan 8.240 nan 0.000 0.516 1154 W N 0.161 121.461 121.300 -0.000 0.000 2.639 1154 W HA 0.719 5.379 4.660 -0.000 0.000 0.347 1154 W C 0.233 176.716 176.519 -0.061 0.000 1.067 1154 W CA -0.619 56.647 57.345 -0.133 0.000 1.218 1154 W CB 1.446 30.800 29.460 -0.178 0.000 1.393 1154 W HN 0.526 nan 8.180 nan 0.000 0.557 1155 Q N 0.408 120.225 119.800 0.029 0.000 2.534 1155 Q HA 0.297 4.637 4.340 -0.000 0.000 0.290 1155 Q C -1.952 173.968 176.000 -0.134 0.000 0.991 1155 Q CA -1.053 54.796 55.803 0.076 0.000 0.783 1155 Q CB 2.303 31.181 28.738 0.234 0.000 1.470 1155 Q HN 0.645 nan 8.270 nan 0.000 0.406 1156 W N 2.056 123.399 121.300 0.073 0.000 2.471 1156 W HA 0.710 5.370 4.660 -0.000 0.000 0.318 1156 W C -0.507 176.043 176.519 0.051 0.000 1.034 1156 W CA -0.216 57.149 57.345 0.033 0.000 1.224 1156 W CB 1.034 30.491 29.460 -0.005 0.000 1.335 1156 W HN 0.270 nan 8.180 nan 0.000 0.452 1157 L N 5.715 127.097 121.223 0.266 0.000 2.422 1157 L HA 0.562 4.902 4.340 -0.000 0.000 0.264 1157 L C -2.142 174.877 176.870 0.249 0.000 0.984 1157 L CA -2.321 52.650 54.840 0.217 0.000 0.819 1157 L CB 2.823 44.980 42.059 0.163 0.000 1.330 1157 L HN 0.069 nan 8.230 nan 0.000 0.410 1158 P HA 0.157 nan 4.420 nan 0.000 0.276 1158 P C -0.011 177.453 177.300 0.273 0.000 1.252 1158 P CA -0.575 62.667 63.100 0.238 0.000 0.802 1158 P CB 1.186 32.983 31.700 0.162 0.000 1.035 1159 R N 1.252 121.958 120.500 0.344 0.000 2.117 1159 R HA -0.155 4.184 4.340 -0.000 0.000 0.243 1159 R C 1.862 178.236 176.300 0.123 0.000 1.143 1159 R CA 2.853 59.097 56.100 0.240 0.000 0.968 1159 R CB -1.865 28.607 30.300 0.288 0.000 0.863 1159 R HN 0.614 nan 8.270 nan 0.000 0.444 1160 T N -1.975 112.654 114.554 0.126 0.000 3.098 1160 T HA 0.034 4.383 4.350 -0.000 0.000 0.266 1160 T C 1.012 175.767 174.700 0.091 0.000 1.145 1160 T CA 0.686 62.842 62.100 0.094 0.000 1.092 1160 T CB -0.042 68.879 68.868 0.088 0.000 0.908 1160 T HN 0.101 nan 8.240 nan 0.000 0.526 1161 K N 0.704 121.167 120.400 0.106 0.000 2.399 1161 K HA 0.409 4.728 4.320 -0.000 0.000 0.204 1161 K C -0.050 176.619 176.600 0.114 0.000 1.023 1161 K CA -0.039 56.318 56.287 0.116 0.000 1.127 1161 K CB 0.612 33.195 32.500 0.137 0.000 0.856 1161 K HN 0.439 nan 8.250 nan 0.000 0.514 1162 L N 0.574 121.842 121.223 0.075 0.000 2.362 1162 L HA 0.535 4.875 4.340 -0.000 0.000 0.271 1162 L C -0.694 176.216 176.870 0.067 0.000 1.002 1162 L CA -1.167 53.704 54.840 0.052 0.000 0.818 1162 L CB 2.431 44.444 42.059 -0.078 0.000 1.298 1162 L HN -0.320 nan 8.230 nan 0.000 0.420 1163 V N 3.641 123.635 119.914 0.134 0.000 2.709 1163 V HA 0.598 4.718 4.120 -0.000 0.000 0.308 1163 V C -2.484 173.723 176.094 0.187 0.000 1.062 1163 V CA -2.141 60.247 62.300 0.147 0.000 0.901 1163 V CB 2.978 34.897 31.823 0.160 0.000 1.003 1163 V HN 0.490 nan 8.190 nan 0.000 0.425 1164 P HA 0.242 nan 4.420 nan 0.000 0.266 1164 P C -1.038 176.386 177.300 0.205 0.000 1.195 1164 P CA 0.214 63.381 63.100 0.112 0.000 0.768 1164 P CB 0.492 32.237 31.700 0.075 0.000 0.838 1165 L N 2.025 123.306 121.223 0.096 0.000 2.334 1165 L HA 0.651 4.991 4.340 -0.000 0.000 0.276 1165 L C 0.926 177.830 176.870 0.057 0.000 1.014 1165 L CA 0.042 54.918 54.840 0.060 0.000 0.815 1165 L CB 1.035 42.846 42.059 -0.415 0.000 1.268 1165 L HN 0.676 nan 8.230 nan 0.000 0.428 1166 G N 2.988 111.890 108.800 0.170 0.000 2.143 1166 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.249 1166 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.249 1166 G C 0.272 175.226 174.900 0.090 0.000 0.981 1166 G CA 0.344 45.501 45.100 0.095 0.000 0.665 1166 G HN 0.555 nan 8.290 nan 0.000 0.528 1167 V N -0.371 119.613 119.914 0.116 0.000 2.922 1167 V HA 0.281 4.401 4.120 -0.000 0.000 0.242 1167 V C 0.990 177.135 176.094 0.086 0.000 1.094 1167 V CA 1.333 63.684 62.300 0.085 0.000 1.106 1167 V CB 0.489 32.359 31.823 0.078 0.000 0.799 1167 V HN 0.519 nan 8.190 nan 0.000 0.474 1168 N N 0.266 119.032 118.700 0.110 0.000 2.504 1168 N HA 0.203 4.943 4.740 -0.000 0.000 0.280 1168 N C 0.558 176.124 175.510 0.094 0.000 1.052 1168 N CA -0.227 52.872 53.050 0.082 0.000 0.887 1168 N CB 2.190 40.714 38.487 0.061 0.000 1.323 1168 N HN 0.111 nan 8.380 nan 0.000 0.509 1169 Q N 1.461 121.307 119.800 0.078 0.000 2.124 1169 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 1169 Q C 0.131 176.150 176.000 0.030 0.000 0.977 1169 Q CA 1.422 57.272 55.803 0.078 0.000 0.850 1169 Q CB 0.366 29.142 28.738 0.063 0.000 0.901 1169 Q HN 0.658 nan 8.270 nan 0.000 0.429 1170 D N 0.473 120.879 120.400 0.010 0.000 2.162 1170 D HA -0.105 4.535 4.640 -0.000 0.000 0.203 1170 D C 2.007 178.273 176.300 -0.057 0.000 0.967 1170 D CA 0.414 54.400 54.000 -0.024 0.000 0.840 1170 D CB 0.017 40.805 40.800 -0.019 0.000 0.972 1170 D HN 0.192 nan 8.370 nan 0.000 0.482 1171 L N 1.274 122.473 121.223 -0.040 0.000 2.017 1171 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 1171 L C 1.700 178.465 176.870 -0.175 0.000 1.073 1171 L CA 1.632 56.417 54.840 -0.092 0.000 0.745 1171 L CB -0.098 41.942 42.059 -0.032 0.000 0.894 1171 L HN -0.182 nan 8.230 nan 0.000 0.432 1172 D N 0.113 120.498 120.400 -0.025 0.000 2.123 1172 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 1172 D C 2.193 178.345 176.300 -0.245 0.000 0.992 1172 D CA 1.449 55.461 54.000 0.020 0.000 0.833 1172 D CB -0.070 40.868 40.800 0.229 0.000 0.954 1172 D HN 0.368 nan 8.370 nan 0.000 0.455 1173 K N 0.425 120.716 120.400 -0.182 0.000 2.097 1173 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 1173 K C 2.073 178.544 176.600 -0.215 0.000 1.050 1173 K CA 0.813 56.987 56.287 -0.189 0.000 0.938 1173 K CB 0.001 32.437 32.500 -0.107 0.000 0.718 1173 K HN 0.188 nan 8.250 nan 0.000 0.442 1174 E N 1.150 121.217 120.200 -0.221 0.000 2.051 1174 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 1174 E C 1.625 178.028 176.600 -0.328 0.000 0.991 1174 E CA 1.187 57.452 56.400 -0.226 0.000 0.799 1174 E CB 0.251 29.833 29.700 -0.197 0.000 0.748 1174 E HN 0.077 nan 8.360 nan 0.000 0.449 1175 K N 0.109 120.177 120.400 -0.554 0.000 2.097 1175 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 1175 K C 2.123 178.366 176.600 -0.595 0.000 1.049 1175 K CA 1.040 56.835 56.287 -0.820 0.000 0.933 1175 K CB -0.285 31.081 32.500 -1.890 0.000 0.717 1175 K HN 0.324 nan 8.250 nan 0.000 0.442 1176 M N 0.478 119.806 119.600 -0.454 0.000 2.358 1176 M HA -0.099 4.380 4.480 -0.000 0.000 0.264 1176 M C 1.551 177.766 176.300 -0.141 0.000 1.064 1176 M CA 1.146 56.321 55.300 -0.208 0.000 1.093 1176 M CB -0.047 32.432 32.600 -0.202 0.000 1.401 1176 M HN 0.013 nan 8.290 nan 0.000 0.440 1177 L N -1.061 120.067 121.223 -0.158 0.000 2.592 1177 L HA 0.007 4.347 4.340 -0.000 0.000 0.227 1177 L C 1.985 178.807 176.870 -0.081 0.000 1.127 1177 L CA 0.059 54.840 54.840 -0.099 0.000 0.884 1177 L CB -0.344 41.659 42.059 -0.093 0.000 1.065 1177 L HN 0.291 nan 8.230 nan 0.000 0.457 1178 E N 1.086 121.227 120.200 -0.098 0.000 2.152 1178 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 1178 E C 1.258 177.848 176.600 -0.016 0.000 0.983 1178 E CA 0.325 56.685 56.400 -0.067 0.000 0.818 1178 E CB 0.138 29.788 29.700 -0.083 0.000 0.758 1178 E HN 0.404 nan 8.360 nan 0.000 0.467 1179 G N 0.371 109.174 108.800 0.005 0.000 2.353 1179 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.239 1179 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.239 1179 G C 0.214 175.127 174.900 0.021 0.000 1.295 1179 G CA -0.314 44.808 45.100 0.037 0.000 0.884 1179 G HN 0.240 nan 8.290 nan 0.000 0.537 1180 R N 0.633 121.149 120.500 0.026 0.000 2.276 1180 R HA 0.080 4.420 4.340 -0.000 0.000 0.196 1180 R C 0.506 176.815 176.300 0.015 0.000 0.961 1180 R CA 0.674 56.782 56.100 0.014 0.000 1.024 1180 R CB 0.169 30.475 30.300 0.010 0.000 0.940 1180 R HN 0.481 nan 8.270 nan 0.000 0.480 1181 K N -1.260 119.155 120.400 0.025 0.000 2.395 1181 K HA 0.278 4.597 4.320 -0.000 0.000 0.247 1181 K C 0.385 177.000 176.600 0.026 0.000 0.973 1181 K CA -0.540 55.761 56.287 0.023 0.000 0.828 1181 K CB 1.859 34.374 32.500 0.026 0.000 1.272 1181 K HN -0.292 nan 8.250 nan 0.000 0.439 1182 S N 1.371 117.084 115.700 0.021 0.000 2.359 1182 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 1182 S C 1.569 176.187 174.600 0.031 0.000 1.039 1182 S CA 2.307 60.520 58.200 0.022 0.000 1.042 1182 S CB -0.418 62.793 63.200 0.018 0.000 0.915 1182 S HN 0.821 nan 8.310 nan 0.000 0.439 1183 N N 1.574 120.295 118.700 0.035 0.000 2.166 1183 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 1183 N C 1.846 177.392 175.510 0.059 0.000 1.019 1183 N CA 1.450 54.526 53.050 0.043 0.000 0.856 1183 N CB -0.806 37.705 38.487 0.040 0.000 0.993 1183 N HN 0.496 nan 8.380 nan 0.000 0.426 1184 I N 0.929 121.538 120.570 0.065 0.000 2.179 1184 I HA -0.169 4.000 4.170 -0.000 0.000 0.242 1184 I C 2.722 178.889 176.117 0.083 0.000 1.088 1184 I CA 1.005 62.360 61.300 0.092 0.000 1.357 1184 I CB -0.192 37.864 38.000 0.093 0.000 1.051 1184 I HN 0.055 nan 8.210 nan 0.000 0.409 1185 R N 0.685 121.217 120.500 0.054 0.000 2.096 1185 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 1185 R C 2.331 178.651 176.300 0.033 0.000 1.127 1185 R CA 1.189 57.309 56.100 0.034 0.000 0.968 1185 R CB -0.302 30.007 30.300 0.016 0.000 0.861 1185 R HN 0.317 nan 8.270 nan 0.000 0.440 1186 K N 0.428 120.853 120.400 0.042 0.000 2.057 1186 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 1186 K C 2.250 178.882 176.600 0.052 0.000 1.050 1186 K CA 1.530 57.845 56.287 0.047 0.000 0.935 1186 K CB -0.093 32.435 32.500 0.046 0.000 0.715 1186 K HN 0.014 nan 8.250 nan 0.000 0.439 1187 S N 0.028 115.769 115.700 0.067 0.000 2.382 1187 S HA -0.105 4.364 4.470 -0.000 0.000 0.228 1187 S C 1.891 176.495 174.600 0.007 0.000 1.027 1187 S CA 1.351 59.606 58.200 0.092 0.000 0.991 1187 S CB -0.178 63.120 63.200 0.164 0.000 0.823 1187 S HN 0.192 nan 8.310 nan 0.000 0.469 1188 V N 1.727 121.610 119.914 -0.051 0.000 2.358 1188 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 1188 V C 2.686 178.699 176.094 -0.136 0.000 1.047 1188 V CA 2.105 64.257 62.300 -0.247 0.000 1.035 1188 V CB -0.863 30.914 31.823 -0.078 0.000 0.658 1188 V HN 0.561 nan 8.190 nan 0.000 0.452 1189 Q N -0.482 119.298 119.800 -0.032 0.000 2.084 1189 Q HA -0.183 4.156 4.340 -0.000 0.000 0.202 1189 Q C 2.271 178.306 176.000 0.060 0.000 0.978 1189 Q CA 1.888 57.693 55.803 0.002 0.000 0.844 1189 Q CB -0.283 28.496 28.738 0.068 0.000 0.898 1189 Q HN 0.570 nan 8.270 nan 0.000 0.426 1190 I N 0.707 121.324 120.570 0.078 0.000 2.163 1190 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 1190 I C 2.430 178.565 176.117 0.029 0.000 1.085 1190 I CA 1.076 62.437 61.300 0.100 0.000 1.347 1190 I CB -0.401 37.650 38.000 0.084 0.000 1.044 1190 I HN 0.184 nan 8.210 nan 0.000 0.408 1191 A N -0.090 122.701 122.820 -0.048 0.000 1.933 1191 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 1191 A C 2.281 179.726 177.584 -0.233 0.000 1.175 1191 A CA 1.588 53.575 52.037 -0.085 0.000 0.628 1191 A CB -1.027 17.837 19.000 -0.227 0.000 0.814 1191 A HN 0.542 nan 8.150 nan 0.000 0.444 1192 Y N 0.263 120.319 120.300 -0.407 0.000 2.145 1192 Y HA -0.264 4.286 4.550 -0.000 0.000 0.286 1192 Y C 2.530 178.142 175.900 -0.480 0.000 1.145 1192 Y CA 2.286 60.074 58.100 -0.520 0.000 1.148 1192 Y CB -0.355 37.816 38.460 -0.481 0.000 0.981 1192 Y HN 0.492 nan 8.280 nan 0.000 0.507 1193 H N -0.033 118.964 119.070 -0.121 0.000 2.423 1193 H HA -0.046 4.509 4.556 -0.000 0.000 0.297 1193 H C 2.316 177.481 175.328 -0.271 0.000 1.075 1193 H CA 1.609 57.546 56.048 -0.185 0.000 1.342 1193 H CB -0.117 29.627 29.762 -0.030 0.000 1.395 1193 H HN 0.404 nan 8.280 nan 0.000 0.530 1194 R N 0.393 120.783 120.500 -0.183 0.000 2.075 1194 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 1194 R C 2.568 178.481 176.300 -0.645 0.000 1.126 1194 R CA 1.013 56.961 56.100 -0.253 0.000 0.963 1194 R CB -0.166 30.083 30.300 -0.085 0.000 0.858 1194 R HN 0.209 nan 8.270 nan 0.000 0.435 1195 A N 1.271 123.410 122.820 -1.136 0.000 1.902 1195 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 1195 A C 2.143 179.313 177.584 -0.690 0.000 1.181 1195 A CA 1.182 52.323 52.037 -1.493 0.000 0.623 1195 A CB -0.536 17.688 19.000 -1.293 0.000 0.818 1195 A HN 0.182 nan 8.150 nan 0.000 0.443 1196 L N -0.958 119.901 121.223 -0.606 0.000 2.201 1196 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 1196 L C 2.770 179.510 176.870 -0.216 0.000 1.105 1196 L CA 1.245 55.850 54.840 -0.391 0.000 0.775 1196 L CB -0.615 41.197 42.059 -0.411 0.000 0.913 1196 L HN 0.523 nan 8.230 nan 0.000 0.440 1197 Q N -0.932 118.754 119.800 -0.190 0.000 2.167 1197 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 1197 Q C 2.040 178.003 176.000 -0.062 0.000 0.970 1197 Q CA 1.616 57.359 55.803 -0.099 0.000 0.855 1197 Q CB -0.189 28.511 28.738 -0.063 0.000 0.911 1197 Q HN 0.540 nan 8.270 nan 0.000 0.438 1198 H N 0.782 119.766 119.070 -0.143 0.000 2.326 1198 H HA -0.063 4.492 4.556 -0.000 0.000 0.301 1198 H C 2.128 177.441 175.328 -0.025 0.000 1.081 1198 H CA 1.768 57.798 56.048 -0.031 0.000 1.334 1198 H CB 0.135 29.924 29.762 0.046 0.000 1.385 1198 H HN 0.016 nan 8.280 nan 0.000 0.504 1199 R N -0.224 120.250 120.500 -0.043 0.000 2.081 1199 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 1199 R C 2.571 178.803 176.300 -0.115 0.000 1.131 1199 R CA 1.500 57.564 56.100 -0.061 0.000 0.960 1199 R CB -0.498 29.775 30.300 -0.046 0.000 0.856 1199 R HN 0.366 nan 8.270 nan 0.000 0.436 1200 S N 0.142 115.778 115.700 -0.108 0.000 2.382 1200 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 1200 S C 1.666 176.203 174.600 -0.105 0.000 1.027 1200 S CA 1.345 59.489 58.200 -0.093 0.000 0.991 1200 S CB -0.013 63.141 63.200 -0.076 0.000 0.823 1200 S HN 0.380 nan 8.310 nan 0.000 0.469 1201 K N 0.241 120.563 120.400 -0.129 0.000 2.097 1201 K HA 0.028 4.348 4.320 -0.000 0.000 0.205 1201 K C 2.006 178.523 176.600 -0.139 0.000 1.050 1201 K CA 1.311 57.525 56.287 -0.121 0.000 0.938 1201 K CB -0.230 32.202 32.500 -0.114 0.000 0.718 1201 K HN 0.248 nan 8.250 nan 0.000 0.442 1202 V N 1.650 121.442 119.914 -0.202 0.000 2.453 1202 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 1202 V C 1.241 177.236 176.094 -0.165 0.000 1.048 1202 V CA 1.384 63.586 62.300 -0.164 0.000 1.049 1202 V CB -0.312 31.412 31.823 -0.164 0.000 0.672 1202 V HN 0.350 nan 8.190 nan 0.000 0.457 1203 Q N 0.000 119.712 119.800 -0.147 0.000 2.315 1203 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1203 Q CA 0.000 55.711 55.803 -0.154 0.000 1.022 1203 Q CB 0.000 28.675 28.738 -0.104 0.000 1.108 1203 Q HN 0.000 nan 8.270 nan 0.000 0.481