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 3f7p_1_C DATA FIRST_RESID 1127 DATA SEQUENCE LGAPQNPNAK AAGSRKIHFN WLPPSGKPMG YRVKYWIQGD SESEAHLLDS DATA SEQUENCE KVPSVELTNL YPYCDYEMKV CAYGAQGEGP YSSLVSCRTH QEVPSEPGRL DATA SEQUENCE AFNVVSSTVT QLSWAEPAET NGEITAYEVC YGLVNDDNRP IGPMKKVLVD DATA SEQUENCE NPKNRMLLIE NLRESQPYRY TVKARNGAGW GPEREAIINL ATQXXXXMSI DATA SEQUENCE PIIP 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 1127 L HA 0.000 nan 4.340 nan 0.000 0.249 1127 L C 0.000 176.868 176.870 -0.004 0.000 1.165 1127 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 1127 L CB 0.000 42.040 42.059 -0.032 0.000 0.961 1128 G N 0.895 109.699 108.800 0.006 0.000 2.553 1128 G HA2 0.667 4.631 3.960 0.006 0.000 0.278 1128 G HA3 0.667 4.631 3.960 0.006 0.000 0.278 1128 G C -0.227 174.679 174.900 0.010 0.000 1.349 1128 G CA 0.121 45.229 45.100 0.013 0.000 1.037 1128 G HN 0.777 nan 8.290 nan 0.000 0.508 1129 A N 0.070 122.901 122.820 0.018 0.000 2.331 1129 A HA 0.667 4.991 4.320 0.006 0.000 0.283 1129 A C -2.219 175.378 177.584 0.022 0.000 1.142 1129 A CA -1.205 50.838 52.037 0.010 0.000 0.812 1129 A CB 0.417 19.435 19.000 0.031 0.000 1.074 1129 A HN 0.411 nan 8.150 nan 0.000 0.497 1130 P HA 0.076 nan 4.420 nan 0.000 0.264 1130 P C -0.437 176.884 177.300 0.035 0.000 1.183 1130 P CA 0.552 63.654 63.100 0.003 0.000 0.763 1130 P CB 0.351 31.890 31.700 -0.268 0.000 0.807 1131 Q N 1.891 121.739 119.800 0.080 0.000 2.240 1131 Q HA 0.335 4.679 4.340 0.006 0.000 0.260 1131 Q C 0.080 176.139 176.000 0.098 0.000 1.018 1131 Q CA -0.827 55.022 55.803 0.077 0.000 0.898 1131 Q CB 0.660 29.435 28.738 0.061 0.000 1.301 1131 Q HN 0.298 nan 8.270 nan 0.000 0.469 1132 N N 0.197 118.950 118.700 0.087 0.000 2.727 1132 N HA -0.112 4.632 4.740 0.006 0.000 0.251 1132 N C -2.725 172.863 175.510 0.130 0.000 1.040 1132 N CA -0.051 53.052 53.050 0.088 0.000 0.712 1132 N CB -0.626 37.896 38.487 0.058 0.000 0.912 1132 N HN 0.232 nan 8.380 nan 0.000 0.545 1133 P HA 0.174 nan 4.420 nan 0.000 0.267 1133 P C -0.541 176.942 177.300 0.305 0.000 1.205 1133 P CA 0.311 63.590 63.100 0.298 0.000 0.765 1133 P CB 0.579 32.475 31.700 0.328 0.000 0.828 1134 N N 2.021 120.946 118.700 0.375 0.000 2.500 1134 N HA 0.590 5.333 4.740 0.006 0.000 0.291 1134 N C -1.904 173.829 175.510 0.371 0.000 1.092 1134 N CA -0.545 52.662 53.050 0.263 0.000 0.890 1134 N CB 1.234 39.795 38.487 0.123 0.000 1.466 1134 N HN 0.305 nan 8.380 nan 0.000 0.507 1135 A N 2.825 125.793 122.820 0.247 0.000 2.386 1135 A HA 0.834 5.157 4.320 0.006 0.000 0.311 1135 A C -1.074 176.548 177.584 0.063 0.000 1.068 1135 A CA -0.682 51.463 52.037 0.180 0.000 0.743 1135 A CB 1.045 20.035 19.000 -0.017 0.000 1.258 1135 A HN 0.738 nan 8.150 nan 0.000 0.429 1136 K N 0.866 121.292 120.400 0.044 0.000 2.527 1136 K HA 0.769 5.093 4.320 0.006 0.000 0.260 1136 K C -0.454 176.091 176.600 -0.092 0.000 0.937 1136 K CA -0.479 55.795 56.287 -0.022 0.000 0.826 1136 K CB 1.974 34.471 32.500 -0.005 0.000 1.359 1136 K HN 1.076 nan 8.250 nan 0.000 0.434 1137 A N 1.442 124.143 122.820 -0.199 0.000 2.511 1137 A HA 0.483 4.807 4.320 0.006 0.000 0.242 1137 A C -0.100 177.284 177.584 -0.334 0.000 1.069 1137 A CA 0.181 51.979 52.037 -0.400 0.000 0.763 1137 A CB -0.148 18.334 19.000 -0.864 0.000 1.001 1137 A HN 0.865 nan 8.150 nan 0.000 0.498 1138 A N 3.046 125.711 122.820 -0.258 0.000 2.545 1138 A HA 0.680 5.003 4.320 0.006 0.000 0.300 1138 A C 0.878 178.435 177.584 -0.046 0.000 1.252 1138 A CA 0.452 52.375 52.037 -0.190 0.000 0.753 1138 A CB -0.228 18.509 19.000 -0.438 0.000 1.144 1138 A HN 2.890 nan 8.150 nan 0.000 0.457 1139 G N 1.238 110.114 108.800 0.128 0.000 2.566 1139 G HA2 -0.072 3.891 3.960 0.006 0.000 0.280 1139 G HA3 -0.072 3.891 3.960 0.006 0.000 0.280 1139 G C 0.639 175.617 174.900 0.130 0.000 1.225 1139 G CA 0.214 45.395 45.100 0.135 0.000 0.966 1139 G HN 1.986 nan 8.290 nan 0.000 0.560 1140 S N 0.569 116.308 115.700 0.065 0.000 2.448 1140 S HA 0.505 4.978 4.470 0.006 0.000 0.279 1140 S C 1.233 175.845 174.600 0.020 0.000 1.195 1140 S CA 0.922 59.153 58.200 0.053 0.000 1.051 1140 S CB -0.154 63.067 63.200 0.036 0.000 0.948 1140 S HN 1.122 nan 8.310 nan 0.000 0.493 1141 R N 1.324 121.837 120.500 0.021 0.000 3.770 1141 R HA -0.178 4.166 4.340 0.006 0.000 0.305 1141 R C -0.636 175.619 176.300 -0.075 0.000 1.184 1141 R CA 1.570 57.662 56.100 -0.014 0.000 0.823 1141 R CB -1.920 28.368 30.300 -0.019 0.000 1.285 1141 R HN 0.821 nan 8.270 nan 0.000 0.499 1142 K N -0.357 119.993 120.400 -0.084 0.000 2.508 1142 K HA 0.699 5.022 4.320 0.006 0.000 0.260 1142 K C -0.757 175.764 176.600 -0.131 0.000 0.949 1142 K CA -1.017 55.200 56.287 -0.117 0.000 0.834 1142 K CB 2.151 34.620 32.500 -0.052 0.000 1.365 1142 K HN -0.018 nan 8.250 nan 0.000 0.437 1143 I N 1.639 122.123 120.570 -0.143 0.000 2.498 1143 I HA 0.235 4.409 4.170 0.006 0.000 0.290 1143 I C -0.510 175.641 176.117 0.058 0.000 1.032 1143 I CA -0.874 60.363 61.300 -0.105 0.000 1.073 1143 I CB 1.956 39.824 38.000 -0.219 0.000 1.251 1143 I HN 0.588 nan 8.210 nan 0.000 0.426 1144 H N 5.822 124.854 119.070 -0.063 0.000 2.668 1144 H HA 0.244 4.804 4.556 0.007 0.000 0.303 1144 H C -1.323 174.068 175.328 0.106 0.000 1.074 1144 H CA -0.278 55.766 56.048 -0.007 0.000 1.406 1144 H CB 1.339 31.085 29.762 -0.026 0.000 1.442 1144 H HN 0.273 nan 8.280 nan 0.000 0.482 1145 F N 5.989 125.924 119.950 -0.024 0.000 2.499 1145 F HA 0.214 4.744 4.527 0.006 0.000 0.333 1145 F C -0.975 174.816 175.800 -0.016 0.000 1.138 1145 F CA -1.197 56.828 58.000 0.040 0.000 0.945 1145 F CB 0.603 39.663 39.000 0.099 0.000 1.181 1145 F HN 0.617 nan 8.300 nan 0.000 0.435 1146 N N 3.838 122.402 118.700 -0.227 0.000 2.509 1146 N HA 0.715 5.459 4.740 0.006 0.000 0.280 1146 N C -1.581 173.696 175.510 -0.388 0.000 1.306 1146 N CA -0.671 51.966 53.050 -0.689 0.000 0.782 1146 N CB 1.730 39.868 38.487 -0.581 0.000 1.493 1146 N HN 0.625 nan 8.380 nan 0.000 0.498 1147 W N -1.639 119.402 121.300 -0.433 0.000 2.961 1147 W HA 0.660 5.322 4.660 0.003 0.000 0.368 1147 W C -1.793 174.574 176.519 -0.254 0.000 1.213 1147 W CA -1.208 55.937 57.345 -0.334 0.000 1.173 1147 W CB 0.527 29.732 29.460 -0.425 0.000 1.487 1147 W HN 0.429 nan 8.180 nan 0.000 0.585 1148 L N 3.319 124.602 121.223 0.099 0.000 2.264 1148 L HA 0.616 4.960 4.340 0.006 0.000 0.289 1148 L C -2.455 174.503 176.870 0.147 0.000 1.044 1148 L CA -2.344 52.521 54.840 0.041 0.000 0.807 1148 L CB 0.494 42.578 42.059 0.042 0.000 1.192 1148 L HN 0.114 nan 8.230 nan 0.000 0.425 1149 P HA 0.167 nan 4.420 nan 0.000 0.266 1149 P C -2.537 174.866 177.300 0.171 0.000 1.195 1149 P CA -0.628 62.614 63.100 0.236 0.000 0.768 1149 P CB -0.233 31.587 31.700 0.200 0.000 0.838 1150 P HA 0.064 nan 4.420 nan 0.000 0.272 1150 P C 0.000 177.340 177.300 0.067 0.000 1.230 1150 P CA -0.223 62.936 63.100 0.100 0.000 0.788 1150 P CB 0.367 32.116 31.700 0.082 0.000 0.949 1151 S N 0.707 116.433 115.700 0.042 0.000 2.558 1151 S HA 0.403 4.877 4.470 0.006 0.000 0.291 1151 S C 0.606 175.216 174.600 0.017 0.000 1.306 1151 S CA 1.252 59.468 58.200 0.027 0.000 1.056 1151 S CB -1.209 62.002 63.200 0.019 0.000 0.836 1151 S HN 0.907 nan 8.310 nan 0.000 0.504 1152 G N 3.788 112.593 108.800 0.009 0.000 2.447 1152 G HA2 -0.074 3.890 3.960 0.006 0.000 0.220 1152 G HA3 -0.074 3.890 3.960 0.006 0.000 0.220 1152 G C -1.346 173.548 174.900 -0.010 0.000 1.261 1152 G CA -0.493 44.605 45.100 -0.003 0.000 1.000 1152 G HN 0.765 nan 8.290 nan 0.000 0.515 1153 K N 1.634 122.017 120.400 -0.028 0.000 2.679 1153 K HA 0.420 4.743 4.320 0.006 0.000 0.188 1153 K C -2.652 173.895 176.600 -0.090 0.000 1.055 1153 K CA -1.238 55.023 56.287 -0.044 0.000 1.006 1153 K CB 1.804 34.284 32.500 -0.033 0.000 1.317 1153 K HN 0.313 nan 8.250 nan 0.000 0.584 1154 P HA 0.135 nan 4.420 nan 0.000 0.271 1154 P C 0.419 177.505 177.300 -0.358 0.000 1.216 1154 P CA -0.127 62.793 63.100 -0.299 0.000 0.771 1154 P CB 0.753 32.188 31.700 -0.441 0.000 0.864 1155 M N 0.802 120.168 119.600 -0.389 0.000 2.319 1155 M HA 0.105 4.588 4.480 0.006 0.000 0.265 1155 M C 0.957 176.956 176.300 -0.502 0.000 1.068 1155 M CA 1.386 56.504 55.300 -0.302 0.000 1.118 1155 M CB -0.042 32.512 32.600 -0.077 0.000 1.395 1155 M HN 0.701 nan 8.290 nan 0.000 0.435 1156 G N -1.987 106.142 108.800 -1.117 0.000 2.321 1156 G HA2 0.386 4.349 3.960 0.006 0.000 0.296 1156 G HA3 0.386 4.349 3.960 0.006 0.000 0.296 1156 G C -2.166 171.820 174.900 -1.523 0.000 1.287 1156 G CA -0.888 43.554 45.100 -1.097 0.000 0.846 1156 G HN 0.078 nan 8.290 nan 0.000 0.508 1157 Y N -0.736 119.430 120.300 -0.223 0.000 2.576 1157 Y HA 0.817 5.371 4.550 0.007 0.000 0.346 1157 Y C 0.370 176.397 175.900 0.212 0.000 1.018 1157 Y CA -0.973 57.105 58.100 -0.036 0.000 1.050 1157 Y CB 2.426 40.904 38.460 0.029 0.000 1.280 1157 Y HN 0.529 nan 8.280 nan 0.000 0.474 1158 R N 1.496 122.163 120.500 0.279 0.000 2.409 1158 R HA 0.681 5.025 4.340 0.006 0.000 0.313 1158 R C -2.015 174.419 176.300 0.223 0.000 0.953 1158 R CA -0.589 55.665 56.100 0.256 0.000 0.849 1158 R CB 1.264 31.692 30.300 0.214 0.000 1.171 1158 R HN 0.603 nan 8.270 nan 0.000 0.458 1159 V N 4.724 124.807 119.914 0.281 0.000 2.439 1159 V HA 0.280 4.404 4.120 0.006 0.000 0.282 1159 V C 0.039 176.403 176.094 0.450 0.000 1.039 1159 V CA -0.446 62.066 62.300 0.355 0.000 0.913 1159 V CB 1.461 33.525 31.823 0.403 0.000 0.983 1159 V HN 0.626 nan 8.190 nan 0.000 0.460 1160 K N 5.001 125.686 120.400 0.475 0.000 2.339 1160 K HA 0.538 4.862 4.320 0.006 0.000 0.264 1160 K C -1.401 175.511 176.600 0.521 0.000 0.986 1160 K CA -0.595 55.956 56.287 0.441 0.000 0.866 1160 K CB 1.062 33.742 32.500 0.300 0.000 1.103 1160 K HN 0.728 nan 8.250 nan 0.000 0.441 1161 Y N 1.918 122.439 120.300 0.368 0.000 2.545 1161 Y HA 0.795 5.348 4.550 0.004 0.000 0.348 1161 Y C -1.301 174.913 175.900 0.523 0.000 1.002 1161 Y CA -1.276 56.962 58.100 0.230 0.000 1.039 1161 Y CB 0.897 39.395 38.460 0.063 0.000 1.271 1161 Y HN 0.646 nan 8.280 nan 0.000 0.467 1162 W N 1.432 122.888 121.300 0.261 0.000 2.989 1162 W HA 0.732 5.394 4.660 0.005 0.000 0.344 1162 W C -2.370 174.231 176.519 0.136 0.000 1.233 1162 W CA -1.874 55.570 57.345 0.165 0.000 1.187 1162 W CB 0.557 30.015 29.460 -0.004 0.000 1.443 1162 W HN 0.614 nan 8.180 nan 0.000 0.573 1163 I N 3.056 123.706 120.570 0.132 0.000 2.471 1163 I HA 0.024 4.198 4.170 0.006 0.000 0.286 1163 I C 0.925 177.017 176.117 -0.042 0.000 1.079 1163 I CA -0.464 60.678 61.300 -0.264 0.000 1.398 1163 I CB 1.025 38.869 38.000 -0.261 0.000 1.403 1163 I HN 0.568 nan 8.210 nan 0.000 0.530 1164 Q N 5.443 125.129 119.800 -0.190 0.000 2.269 1164 Q HA 0.063 4.407 4.340 0.006 0.000 0.300 1164 Q C 1.024 177.029 176.000 0.009 0.000 1.070 1164 Q CA 1.181 56.950 55.803 -0.057 0.000 0.957 1164 Q CB 0.342 29.009 28.738 -0.118 0.000 1.131 1164 Q HN 1.014 nan 8.270 nan 0.000 0.377 1165 G N 3.539 112.394 108.800 0.092 0.000 2.259 1165 G HA2 -0.192 3.771 3.960 0.006 0.000 0.217 1165 G HA3 -0.192 3.771 3.960 0.006 0.000 0.217 1165 G C -0.489 174.436 174.900 0.043 0.000 1.001 1165 G CA 0.034 45.158 45.100 0.042 0.000 0.627 1165 G HN 0.681 nan 8.290 nan 0.000 0.501 1166 D N 1.343 121.801 120.400 0.097 0.000 2.312 1166 D HA 0.568 5.212 4.640 0.006 0.000 0.248 1166 D C 1.016 177.272 176.300 -0.074 0.000 1.086 1166 D CA 0.495 54.515 54.000 0.033 0.000 0.948 1166 D CB 1.380 42.220 40.800 0.066 0.000 1.162 1166 D HN 0.526 nan 8.370 nan 0.000 0.446 1167 S N -0.151 115.446 115.700 -0.172 0.000 2.593 1167 S HA 0.069 4.542 4.470 0.006 0.000 0.269 1167 S C 0.735 174.988 174.600 -0.579 0.000 1.334 1167 S CA -0.637 57.380 58.200 -0.305 0.000 1.015 1167 S CB 0.729 63.799 63.200 -0.217 0.000 0.912 1167 S HN 0.367 nan 8.310 nan 0.000 0.541 1168 E N 0.822 120.559 120.200 -0.772 0.000 2.482 1168 E HA -0.027 4.326 4.350 0.006 0.000 0.200 1168 E C 0.659 176.944 176.600 -0.525 0.000 1.147 1168 E CA 0.191 56.004 56.400 -0.979 0.000 0.912 1168 E CB -0.275 28.872 29.700 -0.921 0.000 0.938 1168 E HN 0.621 nan 8.360 nan 0.000 0.519 1169 S N 0.645 116.118 115.700 -0.378 0.000 2.483 1169 S HA 0.007 4.481 4.470 0.006 0.000 0.221 1169 S C 1.198 175.664 174.600 -0.225 0.000 1.030 1169 S CA 0.072 58.123 58.200 -0.248 0.000 0.925 1169 S CB 0.286 63.374 63.200 -0.186 0.000 0.795 1169 S HN 0.257 nan 8.310 nan 0.000 0.511 1170 E N 1.767 121.829 120.200 -0.231 0.000 2.368 1170 E HA 0.333 4.686 4.350 0.006 0.000 0.188 1170 E C 0.217 176.651 176.600 -0.277 0.000 1.061 1170 E CA -0.324 55.954 56.400 -0.204 0.000 0.933 1170 E CB 0.200 29.834 29.700 -0.111 0.000 1.091 1170 E HN 0.378 nan 8.360 nan 0.000 0.458 1171 A N 1.423 124.077 122.820 -0.276 0.000 2.351 1171 A HA 0.220 4.543 4.320 0.006 0.000 0.257 1171 A C -0.165 177.187 177.584 -0.387 0.000 1.087 1171 A CA -0.304 51.621 52.037 -0.187 0.000 0.798 1171 A CB 0.346 19.278 19.000 -0.115 0.000 1.033 1171 A HN 0.217 nan 8.150 nan 0.000 0.488 1172 H N 0.259 119.184 119.070 -0.242 0.000 2.533 1172 H HA 0.558 5.117 4.556 0.005 0.000 0.343 1172 H C -1.094 174.186 175.328 -0.079 0.000 1.160 1172 H CA -0.371 55.511 56.048 -0.277 0.000 1.218 1172 H CB 1.399 30.782 29.762 -0.631 0.000 1.566 1172 H HN 0.473 nan 8.280 nan 0.000 0.522 1173 L N 2.969 124.305 121.223 0.187 0.000 2.349 1173 L HA 0.376 4.720 4.340 0.006 0.000 0.278 1173 L C -0.566 176.477 176.870 0.288 0.000 0.996 1173 L CA -0.264 54.721 54.840 0.242 0.000 0.825 1173 L CB 1.812 43.968 42.059 0.161 0.000 1.243 1173 L HN 0.241 nan 8.230 nan 0.000 0.412 1174 L N 2.204 123.634 121.223 0.345 0.000 2.346 1174 L HA 0.484 4.828 4.340 0.006 0.000 0.274 1174 L C -0.716 176.311 176.870 0.261 0.000 1.007 1174 L CA -0.521 54.496 54.840 0.295 0.000 0.818 1174 L CB 2.466 44.713 42.059 0.313 0.000 1.284 1174 L HN 0.549 nan 8.230 nan 0.000 0.424 1175 D N 1.171 121.702 120.400 0.219 0.000 2.193 1175 D HA 0.500 5.144 4.640 0.006 0.000 0.249 1175 D C -0.969 175.482 176.300 0.252 0.000 1.034 1175 D CA 0.070 54.213 54.000 0.239 0.000 0.902 1175 D CB 1.714 42.625 40.800 0.185 0.000 1.182 1175 D HN 0.335 nan 8.370 nan 0.000 0.436 1176 S N 1.263 117.150 115.700 0.311 0.000 2.533 1176 S HA 0.302 4.776 4.470 0.006 0.000 0.271 1176 S C -0.108 174.655 174.600 0.272 0.000 1.143 1176 S CA -0.755 57.615 58.200 0.284 0.000 0.891 1176 S CB 1.163 64.568 63.200 0.342 0.000 1.105 1176 S HN 0.386 nan 8.310 nan 0.000 0.468 1177 K N 1.372 121.878 120.400 0.176 0.000 2.379 1177 K HA 0.191 4.515 4.320 0.006 0.000 0.194 1177 K C 0.781 177.464 176.600 0.138 0.000 1.031 1177 K CA 0.647 56.997 56.287 0.105 0.000 1.037 1177 K CB -0.042 32.496 32.500 0.063 0.000 0.824 1177 K HN 0.602 nan 8.250 nan 0.000 0.516 1178 V N -1.770 118.246 119.914 0.170 0.000 2.960 1178 V HA 0.468 4.591 4.120 0.006 0.000 0.315 1178 V C -2.589 173.487 176.094 -0.029 0.000 1.087 1178 V CA -2.435 59.915 62.300 0.083 0.000 0.982 1178 V CB 2.088 33.879 31.823 -0.053 0.000 1.039 1178 V HN -0.254 nan 8.190 nan 0.000 0.437 1179 P HA 0.157 nan 4.420 nan 0.000 0.279 1179 P C 0.001 176.102 177.300 -1.998 0.000 1.451 1179 P CA 0.717 63.077 63.100 -1.234 0.000 0.783 1179 P CB -0.493 30.698 31.700 -0.849 0.000 1.490 1180 S N -2.597 112.321 115.700 -1.303 0.000 2.625 1180 S HA 0.730 5.204 4.470 0.006 0.000 0.271 1180 S C -1.337 172.970 174.600 -0.489 0.000 1.161 1180 S CA -0.848 56.682 58.200 -1.117 0.000 0.820 1180 S CB 2.014 64.812 63.200 -0.669 0.000 1.137 1180 S HN -0.129 nan 8.310 nan 0.000 0.470 1181 V N 0.094 119.849 119.914 -0.265 0.000 3.077 1181 V HA 0.536 4.660 4.120 0.006 0.000 0.299 1181 V C -1.780 174.259 176.094 -0.091 0.000 1.276 1181 V CA -0.479 61.793 62.300 -0.047 0.000 0.993 1181 V CB 2.172 34.115 31.823 0.199 0.000 1.076 1181 V HN 1.056 nan 8.190 nan 0.000 0.434 1182 E N 4.711 124.844 120.200 -0.113 0.000 2.081 1182 E HA 0.445 4.798 4.350 0.006 0.000 0.276 1182 E C -0.994 175.537 176.600 -0.115 0.000 0.950 1182 E CA -0.479 55.850 56.400 -0.119 0.000 0.776 1182 E CB 1.386 31.016 29.700 -0.117 0.000 1.094 1182 E HN 0.523 nan 8.360 nan 0.000 0.402 1183 L N 4.181 125.291 121.223 -0.189 0.000 2.369 1183 L HA 0.187 4.530 4.340 0.006 0.000 0.279 1183 L C 0.809 177.516 176.870 -0.272 0.000 1.108 1183 L CA -0.103 54.503 54.840 -0.390 0.000 0.852 1183 L CB 0.003 41.650 42.059 -0.688 0.000 1.169 1183 L HN 0.527 nan 8.230 nan 0.000 0.452 1184 T N -0.866 113.570 114.554 -0.196 0.000 2.927 1184 T HA 0.372 4.726 4.350 0.006 0.000 0.286 1184 T C 0.489 175.117 174.700 -0.120 0.000 1.040 1184 T CA -0.822 61.202 62.100 -0.126 0.000 1.010 1184 T CB 1.496 70.325 68.868 -0.065 0.000 1.177 1184 T HN 0.555 nan 8.240 nan 0.000 0.546 1185 N N 0.150 118.792 118.700 -0.096 0.000 2.740 1185 N HA -0.116 4.628 4.740 0.006 0.000 0.248 1185 N C -0.731 174.692 175.510 -0.146 0.000 1.062 1185 N CA 0.441 53.427 53.050 -0.105 0.000 0.704 1185 N CB -1.647 36.790 38.487 -0.082 0.000 0.968 1185 N HN 0.670 nan 8.380 nan 0.000 0.547 1186 L N -0.476 120.663 121.223 -0.139 0.000 2.358 1186 L HA 0.456 4.800 4.340 0.006 0.000 0.268 1186 L C 0.686 177.546 176.870 -0.018 0.000 1.032 1186 L CA -1.010 53.783 54.840 -0.079 0.000 0.805 1186 L CB 0.403 42.306 42.059 -0.260 0.000 1.253 1186 L HN -0.048 nan 8.230 nan 0.000 0.452 1187 Y N 0.630 121.088 120.300 0.263 0.000 2.359 1187 Y HA 0.174 4.728 4.550 0.007 0.000 0.330 1187 Y C -1.927 174.090 175.900 0.195 0.000 1.143 1187 Y CA -1.700 56.520 58.100 0.200 0.000 1.318 1187 Y CB -0.064 38.502 38.460 0.177 0.000 1.234 1187 Y HN 0.295 nan 8.280 nan 0.000 0.522 1188 P HA -0.092 nan 4.420 nan 0.000 0.269 1188 P C -0.771 176.716 177.300 0.312 0.000 1.209 1188 P CA 0.162 63.410 63.100 0.247 0.000 0.776 1188 P CB 0.127 31.944 31.700 0.195 0.000 0.876 1189 Y N 0.037 120.408 120.300 0.119 0.000 3.037 1189 Y HA -0.263 4.291 4.550 0.006 0.000 0.204 1189 Y C -0.577 175.373 175.900 0.082 0.000 1.275 1189 Y CA 0.182 58.334 58.100 0.087 0.000 1.066 1189 Y CB -1.401 37.094 38.460 0.059 0.000 1.305 1189 Y HN 0.470 nan 8.280 nan 0.000 0.499 1190 C N 2.801 122.127 119.300 0.044 0.000 2.547 1190 C HA 0.500 4.963 4.460 0.006 0.000 0.313 1190 C C -0.472 174.492 174.990 -0.043 0.000 1.191 1190 C CA -0.989 58.017 59.018 -0.019 0.000 1.474 1190 C CB 0.682 28.492 27.740 0.117 0.000 2.081 1190 C HN 0.489 nan 8.230 nan 0.000 0.476 1191 D N 3.535 123.824 120.400 -0.185 0.000 2.312 1191 D HA 0.327 4.971 4.640 0.006 0.000 0.252 1191 D C -0.931 175.212 176.300 -0.261 0.000 1.150 1191 D CA 0.668 54.572 54.000 -0.159 0.000 0.870 1191 D CB 0.615 41.312 40.800 -0.173 0.000 1.153 1191 D HN 0.565 nan 8.370 nan 0.000 0.457 1192 Y N 0.972 121.178 120.300 -0.156 0.000 2.446 1192 Y HA 0.224 4.777 4.550 0.007 0.000 0.345 1192 Y C 0.769 176.446 175.900 -0.371 0.000 0.984 1192 Y CA -0.782 57.193 58.100 -0.208 0.000 1.058 1192 Y CB 1.720 40.099 38.460 -0.135 0.000 1.220 1192 Y HN 0.119 nan 8.280 nan 0.000 0.455 1193 E N 4.882 124.769 120.200 -0.522 0.000 2.202 1193 E HA 0.583 4.936 4.350 0.006 0.000 0.272 1193 E C -0.719 175.285 176.600 -0.993 0.000 0.951 1193 E CA -0.686 55.211 56.400 -0.839 0.000 0.813 1193 E CB 2.301 31.270 29.700 -1.217 0.000 1.151 1193 E HN 0.700 nan 8.360 nan 0.000 0.398 1194 M N -0.140 119.016 119.600 -0.739 0.000 2.471 1194 M HA 0.537 5.021 4.480 0.006 0.000 0.284 1194 M C -1.613 174.538 176.300 -0.249 0.000 1.203 1194 M CA -0.932 54.055 55.300 -0.521 0.000 0.915 1194 M CB 2.685 34.920 32.600 -0.608 0.000 1.734 1194 M HN 0.393 nan 8.290 nan 0.000 0.485 1195 K N 0.962 121.406 120.400 0.073 0.000 2.495 1195 K HA 0.909 5.233 4.320 0.006 0.000 0.268 1195 K C -1.868 174.989 176.600 0.428 0.000 1.008 1195 K CA -1.026 55.427 56.287 0.277 0.000 0.882 1195 K CB 2.999 35.648 32.500 0.248 0.000 1.443 1195 K HN 0.601 nan 8.250 nan 0.000 0.447 1196 V N 0.302 120.408 119.914 0.320 0.000 2.971 1196 V HA 0.682 4.806 4.120 0.006 0.000 0.309 1196 V C -1.463 174.525 176.094 -0.178 0.000 1.130 1196 V CA -0.425 61.859 62.300 -0.027 0.000 0.964 1196 V CB 1.563 32.879 31.823 -0.845 0.000 1.029 1196 V HN 1.155 nan 8.190 nan 0.000 0.427 1197 C N 4.350 123.425 119.300 -0.374 0.000 2.802 1197 C HA 1.016 5.480 4.460 0.006 0.000 0.307 1197 C C 0.142 175.029 174.990 -0.172 0.000 1.222 1197 C CA -0.216 58.520 59.018 -0.470 0.000 1.580 1197 C CB 0.833 27.921 27.740 -1.087 0.000 2.119 1197 C HN 1.659 nan 8.230 nan 0.000 0.479 1198 A N 1.490 124.249 122.820 -0.102 0.000 2.306 1198 A HA 0.930 5.254 4.320 0.006 0.000 0.330 1198 A C -0.924 176.574 177.584 -0.144 0.000 1.146 1198 A CA -0.489 51.455 52.037 -0.156 0.000 0.827 1198 A CB 0.693 19.625 19.000 -0.112 0.000 1.178 1198 A HN 1.787 nan 8.150 nan 0.000 0.490 1199 Y N -1.193 118.976 120.300 -0.218 0.000 2.609 1199 Y HA 0.887 5.441 4.550 0.006 0.000 0.342 1199 Y C 0.251 176.061 175.900 -0.150 0.000 1.058 1199 Y CA -0.592 57.417 58.100 -0.152 0.000 1.055 1199 Y CB 1.012 39.402 38.460 -0.116 0.000 1.292 1199 Y HN 1.234 nan 8.280 nan 0.000 0.476 1200 G N -0.060 108.811 108.800 0.119 0.000 2.512 1200 G HA2 0.411 4.375 3.960 0.006 0.000 0.186 1200 G HA3 0.411 4.375 3.960 0.006 0.000 0.186 1200 G C 0.281 175.214 174.900 0.056 0.000 1.189 1200 G CA -0.214 44.913 45.100 0.044 0.000 0.994 1200 G HN 1.159 nan 8.290 nan 0.000 0.506 1201 A N -0.740 122.089 122.820 0.016 0.000 1.948 1201 A HA -0.052 4.272 4.320 0.006 0.000 0.220 1201 A C 1.881 179.474 177.584 0.014 0.000 1.177 1201 A CA 2.530 54.576 52.037 0.014 0.000 0.636 1201 A CB -0.387 18.614 19.000 0.001 0.000 0.815 1201 A HN 0.490 nan 8.150 nan 0.000 0.449 1202 Q N -1.460 118.347 119.800 0.012 0.000 2.189 1202 Q HA 0.405 4.749 4.340 0.006 0.000 0.221 1202 Q C 0.611 176.619 176.000 0.013 0.000 0.848 1202 Q CA 0.243 56.052 55.803 0.009 0.000 1.007 1202 Q CB -0.040 28.700 28.738 0.003 0.000 1.116 1202 Q HN 0.851 nan 8.270 nan 0.000 0.481 1203 G N 0.789 109.605 108.800 0.026 0.000 2.508 1203 G HA2 -0.236 3.728 3.960 0.006 0.000 0.220 1203 G HA3 -0.236 3.728 3.960 0.006 0.000 0.220 1203 G C -0.843 174.087 174.900 0.050 0.000 1.287 1203 G CA -0.737 44.380 45.100 0.028 0.000 0.916 1203 G HN 0.337 nan 8.290 nan 0.000 0.574 1204 E N 0.388 120.606 120.200 0.029 0.000 2.266 1204 E HA 0.514 4.867 4.350 0.006 0.000 0.277 1204 E C 0.766 177.357 176.600 -0.014 0.000 1.018 1204 E CA 0.125 56.538 56.400 0.021 0.000 0.840 1204 E CB 1.304 30.999 29.700 -0.008 0.000 1.082 1204 E HN 0.837 nan 8.360 nan 0.000 0.395 1205 G N 2.754 111.527 108.800 -0.045 0.000 2.552 1205 G HA2 0.428 4.392 3.960 0.006 0.000 0.318 1205 G HA3 0.428 4.392 3.960 0.006 0.000 0.318 1205 G C -2.464 172.386 174.900 -0.082 0.000 1.240 1205 G CA -1.183 43.888 45.100 -0.047 0.000 1.002 1205 G HN 0.301 nan 8.290 nan 0.000 0.493 1206 P HA 0.111 nan 4.420 nan 0.000 0.270 1206 P C -0.901 176.374 177.300 -0.041 0.000 1.227 1206 P CA -0.007 63.099 63.100 0.009 0.000 0.788 1206 P CB 0.303 32.028 31.700 0.041 0.000 0.926 1207 Y N -0.363 119.957 120.300 0.033 0.000 2.301 1207 Y HA 0.202 4.755 4.550 0.006 0.000 0.328 1207 Y C 1.632 177.549 175.900 0.029 0.000 1.242 1207 Y CA 0.203 58.323 58.100 0.033 0.000 1.323 1207 Y CB 0.539 39.035 38.460 0.061 0.000 1.266 1207 Y HN 0.336 nan 8.280 nan 0.000 0.527 1208 S N 0.874 116.685 115.700 0.185 0.000 2.606 1208 S HA 0.231 4.705 4.470 0.006 0.000 0.257 1208 S C 0.017 174.713 174.600 0.161 0.000 1.327 1208 S CA -0.699 57.577 58.200 0.126 0.000 0.984 1208 S CB 0.325 63.574 63.200 0.080 0.000 0.941 1208 S HN 0.679 nan 8.310 nan 0.000 0.576 1209 S N 1.146 116.920 115.700 0.124 0.000 2.589 1209 S HA 0.324 4.798 4.470 0.006 0.000 0.265 1209 S C 0.165 174.834 174.600 0.116 0.000 1.342 1209 S CA -0.996 57.270 58.200 0.110 0.000 1.005 1209 S CB -0.198 63.053 63.200 0.085 0.000 0.909 1209 S HN 0.604 nan 8.310 nan 0.000 0.555 1210 L N 1.676 122.952 121.223 0.088 0.000 2.416 1210 L HA 0.442 4.786 4.340 0.006 0.000 0.272 1210 L C 0.183 177.058 176.870 0.007 0.000 1.161 1210 L CA 0.030 54.898 54.840 0.047 0.000 0.845 1210 L CB 0.992 43.080 42.059 0.049 0.000 1.119 1210 L HN 0.697 nan 8.230 nan 0.000 0.464 1211 V N 3.363 123.239 119.914 -0.065 0.000 2.604 1211 V HA 0.562 4.686 4.120 0.006 0.000 0.305 1211 V C -0.089 175.891 176.094 -0.190 0.000 1.043 1211 V CA -0.265 61.985 62.300 -0.084 0.000 0.888 1211 V CB 2.349 34.165 31.823 -0.013 0.000 0.995 1211 V HN 0.934 nan 8.190 nan 0.000 0.429 1212 S N 4.757 120.376 115.700 -0.134 0.000 2.501 1212 S HA 0.745 5.219 4.470 0.006 0.000 0.301 1212 S C -0.880 173.650 174.600 -0.117 0.000 1.096 1212 S CA -0.496 57.614 58.200 -0.150 0.000 1.063 1212 S CB 1.388 64.521 63.200 -0.112 0.000 1.042 1212 S HN 1.055 nan 8.310 nan 0.000 0.494 1213 C N 3.354 122.586 119.300 -0.112 0.000 2.985 1213 C HA 0.667 5.131 4.460 0.006 0.000 0.332 1213 C C -0.825 174.138 174.990 -0.045 0.000 1.164 1213 C CA -0.709 58.259 59.018 -0.084 0.000 1.347 1213 C CB 1.207 28.882 27.740 -0.108 0.000 1.764 1213 C HN 1.086 nan 8.230 nan 0.000 0.489 1214 R N 3.077 123.541 120.500 -0.060 0.000 2.460 1214 R HA 0.653 4.997 4.340 0.006 0.000 0.303 1214 R C 0.358 176.622 176.300 -0.059 0.000 0.968 1214 R CA 0.056 56.126 56.100 -0.050 0.000 0.889 1214 R CB 1.533 31.762 30.300 -0.119 0.000 1.123 1214 R HN 0.918 nan 8.270 nan 0.000 0.455 1215 T N 0.497 115.054 114.554 0.005 0.000 2.813 1215 T HA 0.143 4.496 4.350 0.006 0.000 0.297 1215 T C 0.421 175.145 174.700 0.038 0.000 1.036 1215 T CA -0.327 61.753 62.100 -0.033 0.000 1.044 1215 T CB 0.544 69.454 68.868 0.071 0.000 0.993 1215 T HN 0.655 nan 8.240 nan 0.000 0.535 1216 H N 0.009 119.126 119.070 0.078 0.000 2.639 1216 H HA 0.263 4.823 4.556 0.006 0.000 0.373 1216 H C 0.761 176.168 175.328 0.132 0.000 1.372 1216 H CA -0.743 55.361 56.048 0.092 0.000 1.448 1216 H CB 0.528 30.313 29.762 0.038 0.000 1.544 1216 H HN 0.576 nan 8.280 nan 0.000 0.615 1217 Q N 0.715 120.666 119.800 0.252 0.000 2.212 1217 Q HA 0.230 4.574 4.340 0.006 0.000 0.238 1217 Q C -0.434 175.610 176.000 0.072 0.000 0.955 1217 Q CA -0.709 55.175 55.803 0.134 0.000 0.906 1217 Q CB 1.370 30.096 28.738 -0.020 0.000 1.215 1217 Q HN 0.515 nan 8.270 nan 0.000 0.478 1218 E N 0.728 120.954 120.200 0.044 0.000 2.277 1218 E HA 0.257 4.611 4.350 0.006 0.000 0.266 1218 E C -0.772 175.820 176.600 -0.013 0.000 0.901 1218 E CA -0.696 55.720 56.400 0.026 0.000 0.782 1218 E CB 2.109 31.842 29.700 0.054 0.000 1.228 1218 E HN 0.499 nan 8.360 nan 0.000 0.424 1219 V N -0.199 119.706 119.914 -0.014 0.000 2.901 1219 V HA 0.139 4.263 4.120 0.006 0.000 0.307 1219 V C -2.299 173.792 176.094 -0.005 0.000 1.084 1219 V CA -1.064 61.220 62.300 -0.026 0.000 1.184 1219 V CB -0.480 31.348 31.823 0.008 0.000 0.941 1219 V HN 0.463 nan 8.190 nan 0.000 0.493 1220 P HA 0.273 nan 4.420 nan 0.000 0.274 1220 P C -0.025 177.304 177.300 0.048 0.000 1.256 1220 P CA -0.196 62.909 63.100 0.008 0.000 0.795 1220 P CB 0.453 32.143 31.700 -0.016 0.000 1.038 1221 S N -0.747 114.991 115.700 0.064 0.000 2.640 1221 S HA 0.232 4.705 4.470 0.006 0.000 0.262 1221 S C 0.041 174.695 174.600 0.090 0.000 1.232 1221 S CA -0.513 57.732 58.200 0.075 0.000 0.988 1221 S CB -0.266 62.981 63.200 0.078 0.000 1.034 1221 S HN 0.297 nan 8.310 nan 0.000 0.569 1222 E N 2.185 122.437 120.200 0.086 0.000 2.442 1222 E HA 0.224 4.578 4.350 0.006 0.000 0.262 1222 E C -2.245 174.426 176.600 0.117 0.000 1.004 1222 E CA -0.882 55.573 56.400 0.091 0.000 0.928 1222 E CB -0.087 29.658 29.700 0.075 0.000 0.937 1222 E HN 0.412 nan 8.360 nan 0.000 0.446 1223 P HA 0.004 nan 4.420 nan 0.000 0.270 1223 P C -0.046 177.340 177.300 0.143 0.000 1.227 1223 P CA -0.013 63.194 63.100 0.178 0.000 0.788 1223 P CB 0.505 32.257 31.700 0.086 0.000 0.926 1224 G N 1.059 109.961 108.800 0.170 0.000 2.664 1224 G HA2 0.133 4.097 3.960 0.006 0.000 0.242 1224 G HA3 0.133 4.097 3.960 0.006 0.000 0.242 1224 G C -0.159 174.805 174.900 0.107 0.000 1.225 1224 G CA -0.592 44.580 45.100 0.120 0.000 0.849 1224 G HN 0.620 nan 8.290 nan 0.000 0.581 1225 R N 0.638 121.184 120.500 0.077 0.000 2.638 1225 R HA 0.015 4.358 4.340 0.006 0.000 0.268 1225 R C -0.436 175.895 176.300 0.052 0.000 1.006 1225 R CA -0.026 56.115 56.100 0.069 0.000 1.088 1225 R CB 0.111 30.449 30.300 0.063 0.000 0.950 1225 R HN 0.303 nan 8.270 nan 0.000 0.419 1226 L N 2.145 123.392 121.223 0.040 0.000 2.367 1226 L HA 0.384 4.727 4.340 0.006 0.000 0.275 1226 L C 0.443 177.196 176.870 -0.195 0.000 1.129 1226 L CA -0.516 54.267 54.840 -0.095 0.000 0.839 1226 L CB 1.164 43.143 42.059 -0.133 0.000 1.133 1226 L HN 0.796 nan 8.230 nan 0.000 0.453 1227 A N 3.933 126.542 122.820 -0.351 0.000 2.330 1227 A HA 0.800 5.124 4.320 0.006 0.000 0.327 1227 A C -1.093 176.178 177.584 -0.521 0.000 1.155 1227 A CA -0.368 51.508 52.037 -0.269 0.000 0.803 1227 A CB 0.655 19.567 19.000 -0.146 0.000 1.208 1227 A HN 0.513 nan 8.150 nan 0.000 0.477 1228 F N 1.451 121.351 119.950 -0.083 0.000 2.449 1228 F HA 0.374 4.905 4.527 0.006 0.000 0.342 1228 F C 0.091 175.838 175.800 -0.087 0.000 1.127 1228 F CA -0.588 57.342 58.000 -0.117 0.000 0.975 1228 F CB 2.072 40.982 39.000 -0.150 0.000 1.146 1228 F HN 0.497 nan 8.300 nan 0.000 0.444 1229 N N 2.294 121.021 118.700 0.045 0.000 2.527 1229 N HA 0.301 5.045 4.740 0.006 0.000 0.236 1229 N C -0.902 174.624 175.510 0.027 0.000 0.999 1229 N CA -0.259 52.803 53.050 0.020 0.000 0.935 1229 N CB 1.304 39.777 38.487 -0.024 0.000 1.132 1229 N HN 0.245 nan 8.380 nan 0.000 0.511 1230 V N 2.921 122.855 119.914 0.032 0.000 2.450 1230 V HA -0.003 4.121 4.120 0.006 0.000 0.281 1230 V C 1.375 177.471 176.094 0.004 0.000 1.019 1230 V CA 0.072 62.382 62.300 0.016 0.000 1.062 1230 V CB 0.530 32.359 31.823 0.010 0.000 0.979 1230 V HN 0.446 nan 8.190 nan 0.000 0.477 1231 V N 3.514 123.427 119.914 -0.002 0.000 2.825 1231 V HA 0.109 4.233 4.120 0.006 0.000 0.246 1231 V C 0.922 177.014 176.094 -0.003 0.000 1.068 1231 V CA 1.326 63.623 62.300 -0.006 0.000 1.088 1231 V CB 0.177 31.993 31.823 -0.011 0.000 0.733 1231 V HN 1.003 nan 8.190 nan 0.000 0.468 1232 S N -1.286 114.413 115.700 -0.002 0.000 2.683 1232 S HA 0.159 4.633 4.470 0.006 0.000 0.269 1232 S C 0.709 175.311 174.600 0.005 0.000 1.165 1232 S CA 0.254 58.455 58.200 0.001 0.000 0.840 1232 S CB 0.994 64.195 63.200 0.001 0.000 1.169 1232 S HN 0.345 nan 8.310 nan 0.000 0.490 1233 S N -0.208 115.497 115.700 0.010 0.000 2.555 1233 S HA 0.059 4.533 4.470 0.006 0.000 0.230 1233 S C 1.255 175.869 174.600 0.023 0.000 0.978 1233 S CA 1.334 59.545 58.200 0.018 0.000 0.934 1233 S CB -1.009 62.204 63.200 0.021 0.000 0.766 1233 S HN 1.530 nan 8.310 nan 0.000 0.533 1234 T N -2.251 112.310 114.554 0.012 0.000 3.058 1234 T HA 0.496 4.850 4.350 0.006 0.000 0.278 1234 T C -0.027 174.662 174.700 -0.019 0.000 0.974 1234 T CA -0.278 61.826 62.100 0.006 0.000 0.893 1234 T CB 0.312 69.189 68.868 0.015 0.000 1.138 1234 T HN 0.143 nan 8.240 nan 0.000 0.529 1235 V N 1.131 121.034 119.914 -0.017 0.000 2.789 1235 V HA 0.829 4.952 4.120 0.006 0.000 0.311 1235 V C -0.561 175.519 176.094 -0.023 0.000 1.073 1235 V CA -0.547 61.737 62.300 -0.027 0.000 0.921 1235 V CB 1.879 33.691 31.823 -0.018 0.000 1.009 1235 V HN 0.429 nan 8.190 nan 0.000 0.426 1236 T N 2.775 117.311 114.554 -0.031 0.000 2.894 1236 T HA 0.437 4.791 4.350 0.006 0.000 0.309 1236 T C -1.491 173.193 174.700 -0.027 0.000 1.208 1236 T CA -0.436 61.658 62.100 -0.011 0.000 1.016 1236 T CB 2.058 70.936 68.868 0.017 0.000 1.192 1236 T HN 0.755 nan 8.240 nan 0.000 0.491 1237 Q N 3.489 123.273 119.800 -0.027 0.000 2.431 1237 Q HA 0.530 4.873 4.340 0.006 0.000 0.249 1237 Q C -0.993 174.930 176.000 -0.128 0.000 1.025 1237 Q CA -0.815 54.947 55.803 -0.068 0.000 0.835 1237 Q CB 0.845 29.540 28.738 -0.071 0.000 1.207 1237 Q HN 0.609 nan 8.270 nan 0.000 0.490 1238 L N 3.458 124.585 121.223 -0.160 0.000 2.349 1238 L HA 0.550 4.894 4.340 0.006 0.000 0.275 1238 L C -0.884 175.861 176.870 -0.209 0.000 1.115 1238 L CA 0.578 55.233 54.840 -0.309 0.000 0.820 1238 L CB 1.382 43.313 42.059 -0.214 0.000 1.135 1238 L HN 0.658 nan 8.230 nan 0.000 0.445 1239 S N 3.281 118.815 115.700 -0.277 0.000 2.541 1239 S HA 0.832 5.305 4.470 0.006 0.000 0.271 1239 S C -1.404 173.095 174.600 -0.169 0.000 1.133 1239 S CA -0.746 57.247 58.200 -0.345 0.000 0.876 1239 S CB 0.847 63.826 63.200 -0.368 0.000 1.105 1239 S HN 0.878 nan 8.310 nan 0.000 0.470 1240 W N 0.687 121.838 121.300 -0.248 0.000 3.083 1240 W HA 0.910 5.573 4.660 0.006 0.000 0.333 1240 W C -0.647 175.764 176.519 -0.180 0.000 1.217 1240 W CA -1.037 56.180 57.345 -0.213 0.000 1.170 1240 W CB 0.833 30.159 29.460 -0.222 0.000 1.437 1240 W HN 0.874 nan 8.180 nan 0.000 0.557 1241 A N 0.987 123.840 122.820 0.055 0.000 2.264 1241 A HA 0.465 4.789 4.320 0.006 0.000 0.304 1241 A C -0.167 177.521 177.584 0.173 0.000 1.100 1241 A CA -0.698 51.351 52.037 0.020 0.000 0.839 1241 A CB 0.777 19.795 19.000 0.030 0.000 1.121 1241 A HN 0.773 nan 8.150 nan 0.000 0.496 1242 E N 0.708 120.997 120.200 0.148 0.000 2.413 1242 E HA 0.169 4.523 4.350 0.006 0.000 0.263 1242 E C -2.129 174.600 176.600 0.215 0.000 1.015 1242 E CA -1.416 55.141 56.400 0.263 0.000 0.916 1242 E CB 0.210 30.027 29.700 0.195 0.000 0.947 1242 E HN 0.307 nan 8.360 nan 0.000 0.440 1243 P HA -0.112 nan 4.420 nan 0.000 0.264 1243 P C -0.421 176.949 177.300 0.117 0.000 1.179 1243 P CA 0.377 63.575 63.100 0.163 0.000 0.763 1243 P CB 0.703 32.490 31.700 0.145 0.000 0.806 1244 A N 3.546 126.424 122.820 0.097 0.000 1.972 1244 A HA -0.148 4.175 4.320 0.006 0.000 0.219 1244 A C 0.518 178.148 177.584 0.076 0.000 1.169 1244 A CA 1.452 53.536 52.037 0.078 0.000 0.635 1244 A CB -0.474 18.569 19.000 0.071 0.000 0.810 1244 A HN 0.662 nan 8.150 nan 0.000 0.446 1245 E N -0.566 119.683 120.200 0.082 0.000 2.207 1245 E HA 0.280 4.634 4.350 0.006 0.000 0.250 1245 E C 0.684 177.328 176.600 0.073 0.000 0.890 1245 E CA 0.242 56.693 56.400 0.084 0.000 0.749 1245 E CB 1.214 30.972 29.700 0.097 0.000 1.193 1245 E HN 0.429 nan 8.360 nan 0.000 0.423 1246 T N 0.166 114.759 114.554 0.064 0.000 2.857 1246 T HA -0.137 4.217 4.350 0.006 0.000 0.266 1246 T C 0.991 175.692 174.700 0.002 0.000 1.048 1246 T CA 0.526 62.641 62.100 0.026 0.000 1.139 1246 T CB -0.148 68.728 68.868 0.013 0.000 0.874 1246 T HN 0.453 nan 8.240 nan 0.000 0.455 1247 N N 1.716 120.450 118.700 0.057 0.000 2.741 1247 N HA -0.102 4.642 4.740 0.006 0.000 0.251 1247 N C 0.359 175.862 175.510 -0.011 0.000 1.112 1247 N CA 1.338 54.435 53.050 0.080 0.000 0.750 1247 N CB -1.579 36.945 38.487 0.062 0.000 1.119 1247 N HN 1.094 nan 8.380 nan 0.000 0.561 1248 G N -0.772 107.931 108.800 -0.162 0.000 2.345 1248 G HA2 0.283 4.246 3.960 0.006 0.000 0.285 1248 G HA3 0.283 4.246 3.960 0.006 0.000 0.285 1248 G C -1.971 172.506 174.900 -0.704 0.000 1.297 1248 G CA -0.630 43.986 45.100 -0.806 0.000 0.875 1248 G HN 0.104 nan 8.290 nan 0.000 0.506 1249 E N 0.348 120.064 120.200 -0.807 0.000 2.046 1249 E HA 0.567 4.921 4.350 0.006 0.000 0.279 1249 E C 0.347 176.781 176.600 -0.278 0.000 0.989 1249 E CA -0.497 55.681 56.400 -0.369 0.000 0.798 1249 E CB 0.482 30.030 29.700 -0.253 0.000 1.086 1249 E HN 0.424 nan 8.360 nan 0.000 0.399 1250 I N 3.939 124.384 120.570 -0.209 0.000 2.618 1250 I HA -0.007 4.167 4.170 0.006 0.000 0.284 1250 I C 1.239 177.219 176.117 -0.229 0.000 1.146 1250 I CA 0.577 61.727 61.300 -0.249 0.000 1.425 1250 I CB 0.909 38.772 38.000 -0.229 0.000 1.383 1250 I HN 0.708 nan 8.210 nan 0.000 0.562 1251 T N 1.637 116.016 114.554 -0.293 0.000 2.959 1251 T HA 0.569 4.923 4.350 0.006 0.000 0.254 1251 T C 0.248 174.829 174.700 -0.199 0.000 1.003 1251 T CA 0.042 62.014 62.100 -0.213 0.000 0.950 1251 T CB 0.594 69.339 68.868 -0.206 0.000 1.090 1251 T HN 0.650 nan 8.240 nan 0.000 0.503 1252 A N 0.034 122.657 122.820 -0.328 0.000 2.599 1252 A HA 0.756 5.080 4.320 0.006 0.000 0.290 1252 A C -2.253 175.158 177.584 -0.288 0.000 1.101 1252 A CA -1.024 50.904 52.037 -0.182 0.000 0.674 1252 A CB 1.004 19.966 19.000 -0.063 0.000 1.277 1252 A HN 0.253 nan 8.150 nan 0.000 0.419 1253 Y N -0.223 120.223 120.300 0.243 0.000 2.512 1253 Y HA 0.636 5.189 4.550 0.006 0.000 0.348 1253 Y C 0.022 176.095 175.900 0.288 0.000 0.990 1253 Y CA -0.409 57.857 58.100 0.276 0.000 1.033 1253 Y CB 2.332 40.904 38.460 0.187 0.000 1.259 1253 Y HN 0.770 nan 8.280 nan 0.000 0.461 1254 E N 1.769 122.161 120.200 0.321 0.000 2.210 1254 E HA 0.662 5.016 4.350 0.006 0.000 0.266 1254 E C -1.923 174.629 176.600 -0.081 0.000 0.883 1254 E CA -0.695 55.716 56.400 0.018 0.000 0.761 1254 E CB 1.567 31.039 29.700 -0.378 0.000 1.156 1254 E HN 0.457 nan 8.360 nan 0.000 0.412 1255 V N 4.519 124.407 119.914 -0.043 0.000 2.384 1255 V HA 0.331 4.455 4.120 0.006 0.000 0.287 1255 V C -0.316 175.810 176.094 0.054 0.000 1.020 1255 V CA -0.747 61.539 62.300 -0.024 0.000 0.850 1255 V CB 1.154 33.006 31.823 0.049 0.000 0.987 1255 V HN 0.821 nan 8.190 nan 0.000 0.436 1256 C N 5.521 124.845 119.300 0.040 0.000 2.435 1256 C HA 0.897 5.361 4.460 0.006 0.000 0.333 1256 C C -0.544 174.521 174.990 0.126 0.000 1.202 1256 C CA -0.851 58.171 59.018 0.007 0.000 1.830 1256 C CB 0.652 28.349 27.740 -0.070 0.000 2.326 1256 C HN 0.926 nan 8.230 nan 0.000 0.507 1257 Y N -0.042 120.220 120.300 -0.063 0.000 2.552 1257 Y HA 0.850 5.404 4.550 0.006 0.000 0.337 1257 Y C -0.364 175.489 175.900 -0.079 0.000 1.094 1257 Y CA -0.724 57.266 58.100 -0.183 0.000 1.028 1257 Y CB 1.191 39.445 38.460 -0.344 0.000 1.321 1257 Y HN 0.981 nan 8.280 nan 0.000 0.456 1258 G N 2.227 111.065 108.800 0.065 0.000 2.547 1258 G HA2 0.439 4.403 3.960 0.006 0.000 0.291 1258 G HA3 0.439 4.403 3.960 0.006 0.000 0.291 1258 G C -2.018 172.845 174.900 -0.062 0.000 1.471 1258 G CA -1.282 43.859 45.100 0.069 0.000 0.798 1258 G HN 0.634 nan 8.290 nan 0.000 0.504 1259 L N 0.789 121.843 121.223 -0.283 0.000 2.525 1259 L HA 0.341 4.685 4.340 0.006 0.000 0.278 1259 L C 0.960 177.665 176.870 -0.275 0.000 1.218 1259 L CA 0.185 54.711 54.840 -0.523 0.000 0.878 1259 L CB 0.345 42.167 42.059 -0.395 0.000 1.127 1259 L HN 0.650 nan 8.230 nan 0.000 0.492 1260 V N 1.029 120.787 119.914 -0.260 0.000 3.001 1260 V HA 0.666 4.789 4.120 0.006 0.000 0.314 1260 V C 0.048 176.065 176.094 -0.128 0.000 1.099 1260 V CA -1.165 61.048 62.300 -0.146 0.000 0.989 1260 V CB 1.925 33.691 31.823 -0.096 0.000 1.040 1260 V HN 0.845 nan 8.190 nan 0.000 0.434 1261 N N 0.788 119.436 118.700 -0.087 0.000 2.562 1261 N HA 0.230 4.973 4.740 0.006 0.000 0.299 1261 N C 0.507 175.985 175.510 -0.052 0.000 1.344 1261 N CA 0.315 53.324 53.050 -0.069 0.000 0.914 1261 N CB -0.324 38.131 38.487 -0.054 0.000 1.101 1261 N HN 0.652 nan 8.380 nan 0.000 0.527 1262 D N -0.778 119.599 120.400 -0.039 0.000 2.183 1262 D HA -0.054 4.590 4.640 0.006 0.000 0.203 1262 D C 0.221 176.508 176.300 -0.022 0.000 0.969 1262 D CA 0.996 54.979 54.000 -0.028 0.000 0.842 1262 D CB -0.210 40.577 40.800 -0.023 0.000 0.957 1262 D HN 0.509 nan 8.370 nan 0.000 0.484 1263 D N 0.390 120.777 120.400 -0.023 0.000 2.340 1263 D HA -0.013 4.631 4.640 0.006 0.000 0.220 1263 D C 0.048 176.338 176.300 -0.017 0.000 1.039 1263 D CA 0.023 54.013 54.000 -0.017 0.000 0.866 1263 D CB 0.109 40.900 40.800 -0.016 0.000 0.913 1263 D HN -0.029 nan 8.370 nan 0.000 0.523 1264 N N 0.882 119.568 118.700 -0.023 0.000 2.815 1264 N HA -0.163 4.581 4.740 0.006 0.000 0.249 1264 N C -0.393 175.103 175.510 -0.023 0.000 1.114 1264 N CA 0.468 53.505 53.050 -0.021 0.000 0.717 1264 N CB -1.108 37.375 38.487 -0.007 0.000 1.074 1264 N HN 0.501 nan 8.380 nan 0.000 0.555 1265 R N -0.929 119.551 120.500 -0.032 0.000 2.562 1265 R HA 0.678 5.021 4.340 0.006 0.000 0.298 1265 R C -3.026 173.244 176.300 -0.049 0.000 0.961 1265 R CA -1.682 54.398 56.100 -0.034 0.000 0.881 1265 R CB 1.588 31.871 30.300 -0.028 0.000 1.159 1265 R HN -0.218 nan 8.270 nan 0.000 0.450 1266 P HA 0.004 nan 4.420 nan 0.000 0.265 1266 P C 0.147 177.407 177.300 -0.067 0.000 1.187 1266 P CA 0.160 63.218 63.100 -0.069 0.000 0.766 1266 P CB 0.482 32.144 31.700 -0.062 0.000 0.820 1267 I N 0.587 121.110 120.570 -0.080 0.000 3.968 1267 I HA 0.305 4.479 4.170 0.006 0.000 0.328 1267 I C 1.190 177.270 176.117 -0.062 0.000 1.290 1267 I CA 0.225 61.484 61.300 -0.068 0.000 1.163 1267 I CB 0.079 38.033 38.000 -0.076 0.000 1.024 1267 I HN 0.410 nan 8.210 nan 0.000 0.413 1268 G N 0.877 109.636 108.800 -0.068 0.000 2.619 1268 G HA2 0.531 4.495 3.960 0.006 0.000 0.305 1268 G HA3 0.531 4.495 3.960 0.006 0.000 0.305 1268 G C -2.978 171.882 174.900 -0.068 0.000 1.330 1268 G CA -0.702 44.361 45.100 -0.061 0.000 0.789 1268 G HN -0.209 nan 8.290 nan 0.000 0.487 1269 P HA 0.337 nan 4.420 nan 0.000 0.271 1269 P C -0.164 177.074 177.300 -0.104 0.000 1.216 1269 P CA 0.028 63.081 63.100 -0.078 0.000 0.771 1269 P CB 0.571 32.229 31.700 -0.070 0.000 0.864 1270 M N 2.365 121.892 119.600 -0.122 0.000 2.185 1270 M HA 0.151 4.635 4.480 0.006 0.000 0.357 1270 M C 0.637 176.796 176.300 -0.236 0.000 1.260 1270 M CA -0.167 55.029 55.300 -0.174 0.000 1.124 1270 M CB 0.631 33.144 32.600 -0.145 0.000 1.600 1270 M HN 0.223 nan 8.290 nan 0.000 0.467 1271 K N 3.362 123.521 120.400 -0.401 0.000 2.412 1271 K HA 0.144 4.468 4.320 0.006 0.000 0.281 1271 K C -0.557 175.821 176.600 -0.371 0.000 1.027 1271 K CA 0.364 56.375 56.287 -0.460 0.000 0.989 1271 K CB 0.590 32.614 32.500 -0.793 0.000 0.935 1271 K HN 0.490 nan 8.250 nan 0.000 0.475 1272 K N 1.904 122.186 120.400 -0.197 0.000 2.221 1272 K HA 0.430 4.754 4.320 0.006 0.000 0.258 1272 K C -1.014 175.566 176.600 -0.035 0.000 0.944 1272 K CA -0.805 55.413 56.287 -0.115 0.000 0.823 1272 K CB 1.979 34.411 32.500 -0.114 0.000 1.113 1272 K HN 0.171 nan 8.250 nan 0.000 0.431 1273 V N 3.791 123.719 119.914 0.022 0.000 2.525 1273 V HA 0.262 4.386 4.120 0.006 0.000 0.299 1273 V C -1.024 175.125 176.094 0.090 0.000 1.034 1273 V CA -0.989 61.363 62.300 0.086 0.000 0.863 1273 V CB 1.628 33.554 31.823 0.172 0.000 0.999 1273 V HN 0.581 nan 8.190 nan 0.000 0.423 1274 L N 6.617 127.902 121.223 0.103 0.000 2.276 1274 L HA 0.637 4.981 4.340 0.006 0.000 0.286 1274 L C -0.378 176.601 176.870 0.182 0.000 1.061 1274 L CA 0.243 55.172 54.840 0.149 0.000 0.807 1274 L CB 1.497 43.638 42.059 0.137 0.000 1.177 1274 L HN 0.465 nan 8.230 nan 0.000 0.429 1275 V N 5.467 125.529 119.914 0.247 0.000 2.311 1275 V HA 0.223 4.347 4.120 0.006 0.000 0.275 1275 V C 0.424 176.658 176.094 0.233 0.000 1.022 1275 V CA -0.383 62.076 62.300 0.265 0.000 0.830 1275 V CB 0.883 32.944 31.823 0.396 0.000 1.012 1275 V HN 0.787 nan 8.190 nan 0.000 0.452 1276 D N 3.509 124.005 120.400 0.160 0.000 2.347 1276 D HA -0.031 4.612 4.640 0.006 0.000 0.213 1276 D C 0.763 177.118 176.300 0.093 0.000 0.985 1276 D CA 0.528 54.594 54.000 0.109 0.000 0.879 1276 D CB 0.182 41.031 40.800 0.081 0.000 0.919 1276 D HN 0.559 nan 8.370 nan 0.000 0.526 1277 N N 0.392 119.167 118.700 0.124 0.000 2.501 1277 N HA 0.163 4.906 4.740 0.006 0.000 0.245 1277 N C -1.977 173.640 175.510 0.178 0.000 0.974 1277 N CA -1.791 51.325 53.050 0.111 0.000 0.941 1277 N CB 1.803 40.341 38.487 0.085 0.000 1.122 1277 N HN -0.145 nan 8.380 nan 0.000 0.507 1278 P HA -0.083 nan 4.420 nan 0.000 0.230 1278 P C 0.354 177.831 177.300 0.295 0.000 1.158 1278 P CA 0.955 64.208 63.100 0.255 0.000 0.769 1278 P CB 0.438 32.170 31.700 0.054 0.000 0.807 1279 K N -0.464 120.025 120.400 0.149 0.000 2.418 1279 K HA 0.026 4.349 4.320 0.006 0.000 0.195 1279 K C 1.072 177.683 176.600 0.018 0.000 1.035 1279 K CA 0.063 56.397 56.287 0.077 0.000 1.003 1279 K CB -0.107 32.416 32.500 0.038 0.000 0.793 1279 K HN 0.135 nan 8.250 nan 0.000 0.494 1280 N N 1.592 120.320 118.700 0.046 0.000 2.521 1280 N HA 0.076 4.819 4.740 0.006 0.000 0.236 1280 N C -0.576 174.822 175.510 -0.187 0.000 1.067 1280 N CA -0.149 52.872 53.050 -0.048 0.000 0.939 1280 N CB 0.464 38.964 38.487 0.020 0.000 1.201 1280 N HN 0.008 nan 8.380 nan 0.000 0.511 1281 R N 2.961 123.141 120.500 -0.534 0.000 2.831 1281 R HA 0.283 4.627 4.340 0.006 0.000 0.337 1281 R C -0.523 174.738 176.300 -1.730 0.000 1.200 1281 R CA -0.067 55.176 56.100 -1.428 0.000 1.088 1281 R CB 0.424 29.920 30.300 -1.341 0.000 1.397 1281 R HN 0.479 nan 8.270 nan 0.000 0.581 1282 M N 1.098 120.117 119.600 -0.969 0.000 2.501 1282 M HA 0.446 4.929 4.480 0.006 0.000 0.293 1282 M C -2.090 174.071 176.300 -0.231 0.000 1.192 1282 M CA -1.066 53.889 55.300 -0.575 0.000 0.886 1282 M CB 2.383 34.773 32.600 -0.349 0.000 1.710 1282 M HN 0.042 nan 8.290 nan 0.000 0.457 1283 L N 3.968 125.149 121.223 -0.070 0.000 2.516 1283 L HA 0.583 4.927 4.340 0.006 0.000 0.267 1283 L C -2.123 174.749 176.870 0.002 0.000 0.957 1283 L CA -0.448 54.427 54.840 0.059 0.000 0.860 1283 L CB 2.017 44.216 42.059 0.234 0.000 1.265 1283 L HN 0.703 nan 8.230 nan 0.000 0.403 1284 L N 6.365 127.586 121.223 -0.005 0.000 2.259 1284 L HA 0.579 4.923 4.340 0.006 0.000 0.288 1284 L C -0.920 175.934 176.870 -0.028 0.000 1.051 1284 L CA 0.311 55.137 54.840 -0.024 0.000 0.824 1284 L CB 0.415 42.462 42.059 -0.020 0.000 1.206 1284 L HN 0.501 nan 8.230 nan 0.000 0.429 1285 I N 5.739 126.268 120.570 -0.067 0.000 2.330 1285 I HA 0.342 4.516 4.170 0.006 0.000 0.289 1285 I C 0.011 176.065 176.117 -0.105 0.000 1.001 1285 I CA -0.377 60.846 61.300 -0.129 0.000 1.193 1285 I CB 1.043 38.859 38.000 -0.306 0.000 1.345 1285 I HN 0.659 nan 8.210 nan 0.000 0.461 1286 E N 5.798 125.961 120.200 -0.063 0.000 2.316 1286 E HA 0.375 4.728 4.350 0.006 0.000 0.258 1286 E C 0.136 176.720 176.600 -0.027 0.000 0.952 1286 E CA -0.806 55.570 56.400 -0.040 0.000 0.818 1286 E CB 1.184 30.875 29.700 -0.014 0.000 1.260 1286 E HN 0.611 nan 8.360 nan 0.000 0.416 1287 N N -0.284 118.410 118.700 -0.011 0.000 2.829 1287 N HA -0.165 4.578 4.740 0.006 0.000 0.250 1287 N C -1.234 174.285 175.510 0.015 0.000 1.090 1287 N CA 0.526 53.584 53.050 0.013 0.000 0.781 1287 N CB -1.759 36.747 38.487 0.032 0.000 1.124 1287 N HN 0.583 nan 8.380 nan 0.000 0.559 1288 L N 0.607 121.808 121.223 -0.037 0.000 2.475 1288 L HA 0.341 4.684 4.340 0.006 0.000 0.253 1288 L C 1.458 178.384 176.870 0.095 0.000 1.198 1288 L CA -0.466 54.336 54.840 -0.064 0.000 0.814 1288 L CB 0.300 42.194 42.059 -0.274 0.000 1.134 1288 L HN 0.019 nan 8.230 nan 0.000 0.478 1289 R N 0.924 121.585 120.500 0.268 0.000 2.357 1289 R HA 0.225 4.569 4.340 0.006 0.000 0.296 1289 R C -0.551 175.854 176.300 0.175 0.000 1.052 1289 R CA -0.628 55.598 56.100 0.210 0.000 0.988 1289 R CB 0.768 31.189 30.300 0.201 0.000 1.025 1289 R HN 0.556 nan 8.270 nan 0.000 0.469 1290 E N 0.928 121.187 120.200 0.100 0.000 2.442 1290 E HA -0.057 4.297 4.350 0.006 0.000 0.262 1290 E C 0.069 176.709 176.600 0.068 0.000 1.004 1290 E CA 0.369 56.812 56.400 0.073 0.000 0.928 1290 E CB 0.442 30.169 29.700 0.046 0.000 0.937 1290 E HN 0.591 nan 8.360 nan 0.000 0.446 1291 S N 1.247 116.982 115.700 0.059 0.000 3.402 1291 S HA -0.178 4.296 4.470 0.006 0.000 0.329 1291 S C -0.221 174.401 174.600 0.036 0.000 1.194 1291 S CA 0.783 59.008 58.200 0.040 0.000 0.951 1291 S CB -0.829 62.385 63.200 0.023 0.000 0.975 1291 S HN 0.448 nan 8.310 nan 0.000 0.574 1292 Q N 0.384 120.226 119.800 0.069 0.000 2.293 1292 Q HA 0.440 4.784 4.340 0.006 0.000 0.261 1292 Q C -2.718 173.295 176.000 0.023 0.000 0.960 1292 Q CA -2.217 53.592 55.803 0.010 0.000 0.882 1292 Q CB 1.285 30.011 28.738 -0.020 0.000 1.275 1292 Q HN 0.141 nan 8.270 nan 0.000 0.445 1293 P HA 0.186 nan 4.420 nan 0.000 0.276 1293 P C -1.204 175.998 177.300 -0.162 0.000 1.235 1293 P CA 0.119 63.194 63.100 -0.041 0.000 0.772 1293 P CB 0.278 31.942 31.700 -0.060 0.000 0.871 1294 Y N 1.150 121.442 120.300 -0.013 0.000 2.425 1294 Y HA 0.449 5.003 4.550 0.006 0.000 0.344 1294 Y C 0.877 176.698 175.900 -0.132 0.000 0.969 1294 Y CA -0.824 57.207 58.100 -0.115 0.000 1.052 1294 Y CB 2.246 40.581 38.460 -0.209 0.000 1.215 1294 Y HN 0.215 nan 8.280 nan 0.000 0.451 1295 R N 2.677 123.156 120.500 -0.035 0.000 2.368 1295 R HA 0.504 4.848 4.340 0.006 0.000 0.302 1295 R C -1.989 174.270 176.300 -0.068 0.000 1.002 1295 R CA -0.332 55.782 56.100 0.023 0.000 0.929 1295 R CB 0.619 30.930 30.300 0.019 0.000 1.073 1295 R HN 0.676 nan 8.270 nan 0.000 0.464 1296 Y N 1.542 121.965 120.300 0.205 0.000 2.425 1296 Y HA 0.360 4.914 4.550 0.006 0.000 0.344 1296 Y C -0.145 175.838 175.900 0.139 0.000 0.969 1296 Y CA -0.610 57.627 58.100 0.230 0.000 1.052 1296 Y CB 2.610 41.276 38.460 0.342 0.000 1.215 1296 Y HN 0.703 nan 8.280 nan 0.000 0.451 1297 T N -0.410 114.267 114.554 0.205 0.000 2.893 1297 T HA 0.846 5.200 4.350 0.006 0.000 0.293 1297 T C -1.342 173.342 174.700 -0.028 0.000 1.027 1297 T CA -0.815 61.331 62.100 0.075 0.000 0.988 1297 T CB 1.420 70.302 68.868 0.023 0.000 1.043 1297 T HN 0.338 nan 8.240 nan 0.000 0.461 1298 V N 2.931 122.774 119.914 -0.118 0.000 2.656 1298 V HA 0.748 4.872 4.120 0.006 0.000 0.307 1298 V C -0.377 175.633 176.094 -0.139 0.000 1.051 1298 V CA -0.985 61.134 62.300 -0.300 0.000 0.893 1298 V CB 1.784 33.152 31.823 -0.758 0.000 0.999 1298 V HN 1.181 nan 8.190 nan 0.000 0.426 1299 K N 2.960 123.340 120.400 -0.034 0.000 2.482 1299 K HA 0.959 5.283 4.320 0.006 0.000 0.257 1299 K C -0.908 175.908 176.600 0.360 0.000 0.969 1299 K CA -0.764 55.606 56.287 0.139 0.000 0.842 1299 K CB 2.825 35.389 32.500 0.107 0.000 1.359 1299 K HN 0.728 nan 8.250 nan 0.000 0.441 1300 A N 1.682 124.681 122.820 0.299 0.000 2.320 1300 A HA 0.627 4.951 4.320 0.006 0.000 0.334 1300 A C -0.909 176.597 177.584 -0.131 0.000 1.147 1300 A CA -0.920 51.123 52.037 0.010 0.000 0.820 1300 A CB 1.267 20.205 19.000 -0.104 0.000 1.218 1300 A HN 0.782 nan 8.150 nan 0.000 0.482 1301 R N 0.736 120.833 120.500 -0.671 0.000 2.670 1301 R HA 0.483 4.827 4.340 0.006 0.000 0.289 1301 R C -0.912 175.012 176.300 -0.627 0.000 0.965 1301 R CA -0.476 55.018 56.100 -1.009 0.000 0.899 1301 R CB 1.227 30.257 30.300 -2.117 0.000 1.173 1301 R HN 1.035 nan 8.270 nan 0.000 0.456 1302 N N 1.320 119.728 118.700 -0.486 0.000 3.439 1302 N HA 0.244 4.987 4.740 0.006 0.000 0.343 1302 N C 0.891 176.208 175.510 -0.321 0.000 1.597 1302 N CA -0.229 52.599 53.050 -0.370 0.000 0.733 1302 N CB -0.250 38.048 38.487 -0.316 0.000 1.973 1302 N HN 0.444 nan 8.380 nan 0.000 0.646 1303 G N -0.519 108.122 108.800 -0.266 0.000 2.503 1303 G HA2 -0.205 3.759 3.960 0.006 0.000 0.221 1303 G HA3 -0.205 3.759 3.960 0.006 0.000 0.221 1303 G C 1.167 175.967 174.900 -0.167 0.000 1.131 1303 G CA 1.673 46.655 45.100 -0.197 0.000 0.756 1303 G HN 0.855 nan 8.290 nan 0.000 0.572 1304 A N -0.621 122.104 122.820 -0.159 0.000 2.167 1304 A HA 0.533 4.856 4.320 0.006 0.000 0.214 1304 A C 1.494 179.010 177.584 -0.113 0.000 1.151 1304 A CA 1.504 53.474 52.037 -0.111 0.000 0.735 1304 A CB -0.367 18.590 19.000 -0.072 0.000 0.802 1304 A HN 1.800 nan 8.150 nan 0.000 0.467 1305 G N -2.362 106.322 108.800 -0.192 0.000 2.306 1305 G HA2 -0.033 3.931 3.960 0.006 0.000 0.262 1305 G HA3 -0.033 3.931 3.960 0.006 0.000 0.262 1305 G C -1.028 173.704 174.900 -0.281 0.000 1.263 1305 G CA -0.551 44.426 45.100 -0.206 0.000 1.088 1305 G HN 0.436 nan 8.290 nan 0.000 0.489 1306 W N 1.068 122.340 121.300 -0.047 0.000 2.417 1306 W HA 0.604 5.268 4.660 0.006 0.000 0.317 1306 W C 0.879 177.378 176.519 -0.034 0.000 1.121 1306 W CA 0.473 57.789 57.345 -0.047 0.000 1.208 1306 W CB 1.679 31.115 29.460 -0.040 0.000 1.253 1306 W HN 0.898 nan 8.180 nan 0.000 0.533 1307 G N 2.713 111.648 108.800 0.226 0.000 2.537 1307 G HA2 0.593 4.557 3.960 0.006 0.000 0.297 1307 G HA3 0.593 4.557 3.960 0.006 0.000 0.297 1307 G C -2.362 172.622 174.900 0.141 0.000 1.310 1307 G CA -1.327 43.856 45.100 0.139 0.000 1.027 1307 G HN 0.228 nan 8.290 nan 0.000 0.505 1308 P HA 0.169 nan 4.420 nan 0.000 0.272 1308 P C -0.593 176.746 177.300 0.065 0.000 1.240 1308 P CA -0.021 63.119 63.100 0.068 0.000 0.791 1308 P CB 1.156 32.891 31.700 0.057 0.000 0.978 1309 E N 0.108 120.332 120.200 0.039 0.000 2.242 1309 E HA 0.381 4.735 4.350 0.006 0.000 0.275 1309 E C -0.087 176.533 176.600 0.034 0.000 1.002 1309 E CA -0.750 55.665 56.400 0.025 0.000 0.841 1309 E CB 1.052 30.753 29.700 0.001 0.000 1.109 1309 E HN 0.226 nan 8.360 nan 0.000 0.394 1310 R N 2.139 122.656 120.500 0.027 0.000 2.312 1310 R HA 0.212 4.556 4.340 0.006 0.000 0.311 1310 R C -0.877 175.459 176.300 0.060 0.000 1.004 1310 R CA -0.122 56.004 56.100 0.044 0.000 0.902 1310 R CB 0.876 31.200 30.300 0.040 0.000 1.073 1310 R HN 0.521 nan 8.270 nan 0.000 0.457 1311 E N 2.222 122.474 120.200 0.086 0.000 2.277 1311 E HA 0.753 5.107 4.350 0.006 0.000 0.266 1311 E C -1.715 174.986 176.600 0.168 0.000 0.901 1311 E CA -1.143 55.329 56.400 0.120 0.000 0.782 1311 E CB 1.796 31.548 29.700 0.087 0.000 1.228 1311 E HN 0.725 nan 8.360 nan 0.000 0.424 1312 A N 3.988 126.953 122.820 0.240 0.000 2.532 1312 A HA 0.406 4.730 4.320 0.006 0.000 0.296 1312 A C -1.485 176.258 177.584 0.265 0.000 1.058 1312 A CA -0.705 51.490 52.037 0.264 0.000 0.729 1312 A CB 0.866 20.110 19.000 0.406 0.000 1.285 1312 A HN 0.447 nan 8.150 nan 0.000 0.396 1313 I N 3.364 124.021 120.570 0.146 0.000 2.331 1313 I HA 0.487 4.660 4.170 0.006 0.000 0.292 1313 I C -0.549 175.581 176.117 0.021 0.000 0.998 1313 I CA -0.390 60.975 61.300 0.109 0.000 1.267 1313 I CB 0.985 39.020 38.000 0.057 0.000 1.386 1313 I HN 0.403 nan 8.210 nan 0.000 0.476 1314 I N 5.849 126.434 120.570 0.024 0.000 2.571 1314 I HA 0.271 4.445 4.170 0.006 0.000 0.289 1314 I C -0.435 175.684 176.117 0.004 0.000 1.115 1314 I CA -0.471 60.744 61.300 -0.142 0.000 1.045 1314 I CB 2.113 39.707 38.000 -0.676 0.000 1.238 1314 I HN 0.506 nan 8.210 nan 0.000 0.424 1315 N N 6.535 125.223 118.700 -0.020 0.000 2.444 1315 N HA 0.389 5.133 4.740 0.006 0.000 0.262 1315 N C 0.750 176.259 175.510 -0.001 0.000 0.974 1315 N CA -0.383 52.684 53.050 0.028 0.000 0.933 1315 N CB 1.552 40.050 38.487 0.018 0.000 1.137 1315 N HN 0.520 nan 8.380 nan 0.000 0.498 1316 L N 2.388 123.626 121.223 0.024 0.000 2.093 1316 L HA -0.067 4.277 4.340 0.006 0.000 0.208 1316 L C 2.256 179.131 176.870 0.008 0.000 1.085 1316 L CA 1.232 56.074 54.840 0.003 0.000 0.755 1316 L CB -0.444 41.626 42.059 0.019 0.000 0.904 1316 L HN 0.550 nan 8.230 nan 0.000 0.435 1317 A N -0.138 122.695 122.820 0.022 0.000 1.933 1317 A HA -0.195 4.129 4.320 0.006 0.000 0.218 1317 A C 2.388 179.976 177.584 0.007 0.000 1.175 1317 A CA 2.307 54.354 52.037 0.016 0.000 0.628 1317 A CB -0.885 18.128 19.000 0.022 0.000 0.814 1317 A HN 0.383 nan 8.150 nan 0.000 0.444 1318 T N 0.359 114.915 114.554 0.004 0.000 2.708 1318 T HA -0.084 4.269 4.350 0.006 0.000 0.266 1318 T C 1.169 175.867 174.700 -0.004 0.000 1.037 1318 T CA 1.162 63.261 62.100 -0.002 0.000 1.146 1318 T CB -0.199 68.666 68.868 -0.006 0.000 0.865 1318 T HN 0.537 nan 8.240 nan 0.000 0.435 1325 S N 0.196 115.894 115.700 -0.003 0.000 2.701 1325 S HA 0.580 5.054 4.470 0.006 0.000 0.242 1325 S C 0.099 174.694 174.600 -0.008 0.000 1.025 1325 S CA -0.054 58.141 58.200 -0.007 0.000 1.016 1325 S CB -0.496 62.697 63.200 -0.011 0.000 0.977 1325 S HN 0.820 nan 8.310 nan 0.000 0.546 1326 I N 2.970 123.539 120.570 -0.002 0.000 2.342 1326 I HA 0.419 4.592 4.170 0.006 0.000 0.291 1326 I C -2.532 173.589 176.117 0.007 0.000 1.010 1326 I CA -2.519 58.780 61.300 -0.001 0.000 1.308 1326 I CB 0.777 38.777 38.000 0.001 0.000 1.400 1326 I HN -0.007 nan 8.210 nan 0.000 0.488 1327 P HA 0.265 nan 4.420 nan 0.000 0.271 1327 P C -0.516 176.809 177.300 0.042 0.000 1.216 1327 P CA -0.001 63.109 63.100 0.017 0.000 0.776 1327 P CB 0.620 32.313 31.700 -0.011 0.000 0.881 1328 I N 3.079 123.701 120.570 0.087 0.000 2.488 1328 I HA 0.417 4.591 4.170 0.006 0.000 0.299 1328 I C 0.312 176.527 176.117 0.164 0.000 0.984 1328 I CA -0.582 60.781 61.300 0.104 0.000 1.250 1328 I CB 0.884 38.941 38.000 0.094 0.000 1.389 1328 I HN 0.129 nan 8.210 nan 0.000 0.488 1329 I N 5.343 125.990 120.570 0.128 0.000 2.563 1329 I HA 0.272 4.446 4.170 0.006 0.000 0.281 1329 I C -2.119 174.069 176.117 0.118 0.000 1.110 1329 I CA -1.452 59.936 61.300 0.146 0.000 1.073 1329 I CB 1.203 39.254 38.000 0.085 0.000 1.215 1329 I HN 0.402 nan 8.210 nan 0.000 0.460 1330 P HA 0.000 nan 4.420 nan 0.000 0.216 1330 P CA 0.000 63.157 63.100 0.095 0.000 0.800 1330 P CB 0.000 31.767 31.700 0.111 0.000 0.726