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 2woy_1_A DATA FIRST_RESID 1081 DATA SEQUENCE AXVNKNKEGL NIDGKEVLAG STNYYELTWD LDQYKGDKSS KEAIQNGFYY DATA SEQUENCE VDDYPEEALD VRPDLVKVAD EKGNQVSGVS VQQYDSLEAA PKKVQDLLKK DATA SEQUENCE ANITVKGAFQ LFSADNPEEF YKQYVATGTS LVITDPXTVK SEFGKTGGKY DATA SEQUENCE ENKAYQIDFG NGYATEVVVN NVPKITPKKD VTVSLDPTSE NLDGQTVQLY DATA SEQUENCE QTFNYRLIGG LIPQNHSEEL EDYSFVDDYD QAGDQYTGNY KTFSSLNLTX DATA SEQUENCE KDGSVIKAGT DLTSQTTAET DATNGIVTVR FKEDFLQKIS LDSPFQAETY DATA SEQUENCE LQXRRIAIGT FENTYVNTVN KVAYASNTVR TTT 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 1081 A HA 0.000 nan 4.320 nan 0.000 0.244 1081 A C 0.000 177.640 177.584 0.094 0.000 1.274 1081 A CA 0.000 52.092 52.037 0.092 0.000 0.836 1081 A CB 0.000 19.046 19.000 0.076 0.000 0.831 1084 N N 1.732 120.531 118.700 0.165 0.000 2.399 1084 N HA 0.674 5.416 4.740 0.004 0.000 0.295 1084 N C -0.892 174.630 175.510 0.020 0.000 1.048 1084 N CA -0.476 52.609 53.050 0.057 0.000 0.886 1084 N CB 1.897 40.385 38.487 0.003 0.000 1.185 1084 N HN 0.899 nan 8.380 nan 0.000 0.487 1085 K N 1.000 121.405 120.400 0.010 0.000 2.482 1085 K HA 0.360 4.682 4.320 0.004 0.000 0.257 1085 K C -0.431 176.234 176.600 0.108 0.000 0.969 1085 K CA -0.984 55.330 56.287 0.044 0.000 0.842 1085 K CB 1.249 33.773 32.500 0.041 0.000 1.359 1085 K HN 0.713 nan 8.250 nan 0.000 0.441 1086 N N 0.387 119.133 118.700 0.076 0.000 2.364 1086 N HA 0.037 4.780 4.740 0.004 0.000 0.264 1086 N C 0.587 176.041 175.510 -0.093 0.000 1.263 1086 N CA -0.277 52.847 53.050 0.123 0.000 0.959 1086 N CB 0.511 39.040 38.487 0.069 0.000 1.204 1086 N HN 0.548 nan 8.380 nan 0.000 0.550 1087 K N -0.898 119.346 120.400 -0.260 0.000 2.147 1087 K HA -0.100 4.223 4.320 0.004 0.000 0.205 1087 K C 0.604 176.967 176.600 -0.395 0.000 1.049 1087 K CA 1.141 56.969 56.287 -0.765 0.000 0.936 1087 K CB 0.078 32.285 32.500 -0.487 0.000 0.722 1087 K HN 0.476 nan 8.250 nan 0.000 0.446 1088 E N -0.938 119.144 120.200 -0.197 0.000 2.427 1088 E HA -0.003 4.349 4.350 0.004 0.000 0.196 1088 E C 1.163 177.700 176.600 -0.105 0.000 1.028 1088 E CA 0.921 57.245 56.400 -0.127 0.000 0.864 1088 E CB 0.547 30.202 29.700 -0.076 0.000 0.813 1088 E HN 0.577 nan 8.360 nan 0.000 0.514 1089 G N 0.942 109.678 108.800 -0.107 0.000 2.184 1089 G HA2 -0.235 3.728 3.960 0.004 0.000 0.206 1089 G HA3 -0.235 3.728 3.960 0.004 0.000 0.206 1089 G C 0.008 174.886 174.900 -0.036 0.000 0.995 1089 G CA 0.048 45.106 45.100 -0.070 0.000 0.651 1089 G HN 0.241 nan 8.290 nan 0.000 0.511 1090 L N 1.988 123.192 121.223 -0.032 0.000 2.453 1090 L HA 0.483 4.825 4.340 0.004 0.000 0.272 1090 L C 0.663 177.530 176.870 -0.004 0.000 1.182 1090 L CA -0.688 54.141 54.840 -0.019 0.000 0.858 1090 L CB 0.585 42.632 42.059 -0.021 0.000 1.120 1090 L HN 0.268 nan 8.230 nan 0.000 0.474 1091 N N 5.314 124.014 118.700 -0.000 0.000 2.452 1091 N HA 0.001 4.743 4.740 0.004 0.000 0.266 1091 N C 0.289 175.804 175.510 0.009 0.000 1.209 1091 N CA 0.205 53.262 53.050 0.011 0.000 0.929 1091 N CB 0.417 38.912 38.487 0.012 0.000 1.063 1091 N HN 0.746 nan 8.380 nan 0.000 0.472 1092 I N -0.729 119.851 120.570 0.015 0.000 3.856 1092 I HA 0.330 4.503 4.170 0.004 0.000 0.330 1092 I C -0.687 175.439 176.117 0.015 0.000 1.546 1092 I CA -0.761 60.547 61.300 0.013 0.000 1.132 1092 I CB 0.086 38.097 38.000 0.020 0.000 1.157 1092 I HN 0.042 nan 8.210 nan 0.000 0.440 1093 D N 2.997 123.412 120.400 0.024 0.000 2.533 1093 D HA 0.209 4.851 4.640 0.004 0.000 0.236 1093 D C 1.531 177.835 176.300 0.007 0.000 1.137 1093 D CA 1.798 55.815 54.000 0.028 0.000 0.867 1093 D CB 1.053 41.874 40.800 0.035 0.000 1.170 1093 D HN 0.582 nan 8.370 nan 0.000 0.474 1094 G N 2.003 110.797 108.800 -0.010 0.000 2.212 1094 G HA2 -0.348 3.614 3.960 0.004 0.000 0.266 1094 G HA3 -0.348 3.614 3.960 0.004 0.000 0.266 1094 G C 0.538 175.427 174.900 -0.018 0.000 0.978 1094 G CA 0.534 45.621 45.100 -0.022 0.000 0.632 1094 G HN 0.517 nan 8.290 nan 0.000 0.537 1095 K N 0.693 121.089 120.400 -0.007 0.000 2.180 1095 K HA 0.350 4.673 4.320 0.004 0.000 0.251 1095 K C 0.208 176.826 176.600 0.029 0.000 1.014 1095 K CA -0.416 55.877 56.287 0.012 0.000 0.913 1095 K CB 0.420 32.930 32.500 0.018 0.000 1.008 1095 K HN 0.159 nan 8.250 nan 0.000 0.490 1096 E N 1.617 121.854 120.200 0.062 0.000 2.257 1096 E HA 0.092 4.445 4.350 0.004 0.000 0.278 1096 E C -0.742 175.939 176.600 0.135 0.000 1.049 1096 E CA -0.079 56.379 56.400 0.097 0.000 0.876 1096 E CB 0.965 30.734 29.700 0.114 0.000 1.035 1096 E HN 0.148 nan 8.360 nan 0.000 0.419 1097 V N 5.347 125.360 119.914 0.165 0.000 2.378 1097 V HA 0.229 4.352 4.120 0.004 0.000 0.288 1097 V C 0.487 176.700 176.094 0.199 0.000 1.016 1097 V CA -0.704 61.713 62.300 0.196 0.000 0.840 1097 V CB 1.052 33.033 31.823 0.265 0.000 0.994 1097 V HN 0.526 nan 8.190 nan 0.000 0.431 1098 L N 3.837 125.152 121.223 0.153 0.000 2.461 1098 L HA 0.391 4.734 4.340 0.004 0.000 0.272 1098 L C 1.196 178.160 176.870 0.155 0.000 1.197 1098 L CA 0.034 54.957 54.840 0.139 0.000 0.836 1098 L CB 0.532 42.656 42.059 0.108 0.000 1.105 1098 L HN 0.790 nan 8.230 nan 0.000 0.477 1099 A N 2.345 125.275 122.820 0.183 0.000 2.565 1099 A HA 0.367 4.690 4.320 0.004 0.000 0.237 1099 A C 1.259 178.907 177.584 0.107 0.000 1.053 1099 A CA 0.674 52.813 52.037 0.169 0.000 0.755 1099 A CB -0.263 18.863 19.000 0.209 0.000 0.980 1099 A HN 1.147 nan 8.150 nan 0.000 0.506 1100 G N 1.486 110.320 108.800 0.056 0.000 2.234 1100 G HA2 -0.206 3.756 3.960 0.004 0.000 0.235 1100 G HA3 -0.206 3.756 3.960 0.004 0.000 0.235 1100 G C 0.588 175.501 174.900 0.022 0.000 0.997 1100 G CA 0.397 45.512 45.100 0.024 0.000 0.623 1100 G HN 1.222 nan 8.290 nan 0.000 0.514 1101 S N 0.698 116.423 115.700 0.042 0.000 2.617 1101 S HA 0.632 5.105 4.470 0.004 0.000 0.269 1101 S C 0.327 174.912 174.600 -0.025 0.000 1.292 1101 S CA 0.355 58.578 58.200 0.038 0.000 1.010 1101 S CB 1.514 64.761 63.200 0.079 0.000 0.944 1101 S HN 0.422 nan 8.310 nan 0.000 0.536 1102 T N 3.121 117.637 114.554 -0.063 0.000 2.824 1102 T HA 0.322 4.674 4.350 0.004 0.000 0.280 1102 T C -0.243 174.267 174.700 -0.316 0.000 0.995 1102 T CA -0.766 61.166 62.100 -0.280 0.000 1.009 1102 T CB 0.448 68.996 68.868 -0.534 0.000 0.955 1102 T HN 0.463 nan 8.240 nan 0.000 0.452 1103 N N 2.816 121.281 118.700 -0.391 0.000 2.500 1103 N HA 0.145 4.887 4.740 0.004 0.000 0.236 1103 N C -1.018 174.142 175.510 -0.585 0.000 1.022 1103 N CA -0.175 52.593 53.050 -0.470 0.000 0.935 1103 N CB 0.830 38.946 38.487 -0.619 0.000 1.147 1103 N HN 0.588 nan 8.380 nan 0.000 0.512 1104 Y N 2.079 122.225 120.300 -0.257 0.000 2.667 1104 Y HA 0.137 4.689 4.550 0.004 0.000 0.340 1104 Y C 0.106 175.951 175.900 -0.092 0.000 1.303 1104 Y CA -0.573 57.450 58.100 -0.129 0.000 1.769 1104 Y CB -0.711 37.712 38.460 -0.063 0.000 1.804 1104 Y HN 0.396 nan 8.280 nan 0.000 0.451 1105 Y N 0.860 121.218 120.300 0.097 0.000 2.597 1105 Y HA 0.057 4.609 4.550 0.004 0.000 0.336 1105 Y C 0.608 176.546 175.900 0.063 0.000 1.216 1105 Y CA -0.292 57.856 58.100 0.080 0.000 1.463 1105 Y CB 0.452 38.952 38.460 0.066 0.000 1.303 1105 Y HN 0.368 nan 8.280 nan 0.000 0.576 1106 E N 4.178 124.506 120.200 0.213 0.000 2.185 1106 E HA 0.420 4.772 4.350 0.004 0.000 0.261 1106 E C -1.379 175.260 176.600 0.066 0.000 0.879 1106 E CA -0.529 55.931 56.400 0.101 0.000 0.756 1106 E CB 1.280 31.022 29.700 0.070 0.000 1.152 1106 E HN 0.468 nan 8.360 nan 0.000 0.416 1107 L N 2.485 123.692 121.223 -0.027 0.000 2.305 1107 L HA 0.398 4.740 4.340 0.004 0.000 0.284 1107 L C 0.030 176.806 176.870 -0.158 0.000 1.013 1107 L CA -0.774 54.014 54.840 -0.086 0.000 0.819 1107 L CB 1.574 43.493 42.059 -0.233 0.000 1.227 1107 L HN 0.376 nan 8.230 nan 0.000 0.417 1108 T N 1.991 116.532 114.554 -0.021 0.000 2.729 1108 T HA 0.081 4.433 4.350 0.004 0.000 0.296 1108 T C -0.413 174.350 174.700 0.105 0.000 0.928 1108 T CA -0.105 62.012 62.100 0.028 0.000 1.045 1108 T CB 0.344 69.263 68.868 0.083 0.000 0.902 1108 T HN 0.365 nan 8.240 nan 0.000 0.500 1109 W N 5.389 126.590 121.300 -0.165 0.000 2.365 1109 W HA 0.226 4.888 4.660 0.005 0.000 0.371 1109 W C -0.462 176.117 176.519 0.101 0.000 1.006 1109 W CA -1.211 56.120 57.345 -0.023 0.000 1.528 1109 W CB -0.350 29.016 29.460 -0.157 0.000 1.497 1109 W HN 0.517 nan 8.180 nan 0.000 0.367 1110 D N 5.062 125.770 120.400 0.514 0.000 2.380 1110 D HA 0.140 4.782 4.640 0.004 0.000 0.230 1110 D C 0.484 177.005 176.300 0.369 0.000 1.154 1110 D CA 0.055 54.257 54.000 0.335 0.000 0.859 1110 D CB 0.657 41.621 40.800 0.273 0.000 1.045 1110 D HN 0.454 nan 8.370 nan 0.000 0.495 1111 L N 2.899 124.271 121.223 0.250 0.000 2.906 1111 L HA 0.162 4.504 4.340 0.004 0.000 0.255 1111 L C 1.510 178.470 176.870 0.149 0.000 1.166 1111 L CA -0.206 54.812 54.840 0.297 0.000 0.977 1111 L CB 0.437 42.587 42.059 0.153 0.000 1.313 1111 L HN 0.265 nan 8.230 nan 0.000 0.549 1112 D N 1.401 121.835 120.400 0.057 0.000 2.149 1112 D HA -0.278 4.365 4.640 0.004 0.000 0.198 1112 D C 2.165 178.434 176.300 -0.052 0.000 0.990 1112 D CA 1.642 55.643 54.000 0.002 0.000 0.839 1112 D CB 0.299 41.098 40.800 -0.001 0.000 0.948 1112 D HN 0.511 nan 8.370 nan 0.000 0.460 1113 Q N -1.295 118.398 119.800 -0.177 0.000 2.436 1113 Q HA -0.147 4.195 4.340 0.004 0.000 0.209 1113 Q C 0.765 176.612 176.000 -0.255 0.000 0.965 1113 Q CA 0.840 56.482 55.803 -0.269 0.000 0.910 1113 Q CB -0.308 28.191 28.738 -0.398 0.000 0.980 1113 Q HN 0.414 nan 8.270 nan 0.000 0.491 1114 Y N 1.167 121.535 120.300 0.114 0.000 2.466 1114 Y HA 0.242 4.794 4.550 0.004 0.000 0.272 1114 Y C 0.368 176.302 175.900 0.056 0.000 1.169 1114 Y CA -0.666 57.517 58.100 0.139 0.000 1.285 1114 Y CB 0.081 38.671 38.460 0.216 0.000 1.078 1114 Y HN 0.013 nan 8.280 nan 0.000 0.523 1115 K N 0.823 121.286 120.400 0.106 0.000 2.491 1115 K HA 0.176 4.498 4.320 0.004 0.000 0.279 1115 K C 1.167 177.804 176.600 0.062 0.000 1.026 1115 K CA 1.111 57.424 56.287 0.044 0.000 1.070 1115 K CB -0.192 32.314 32.500 0.010 0.000 0.887 1115 K HN 0.535 nan 8.250 nan 0.000 0.481 1116 G N 3.313 112.140 108.800 0.045 0.000 2.176 1116 G HA2 -0.307 3.655 3.960 0.004 0.000 0.252 1116 G HA3 -0.307 3.655 3.960 0.004 0.000 0.252 1116 G C -0.156 174.812 174.900 0.113 0.000 1.024 1116 G CA 0.408 45.544 45.100 0.060 0.000 0.755 1116 G HN 0.884 nan 8.290 nan 0.000 0.507 1117 D N -0.377 120.127 120.400 0.174 0.000 2.399 1117 D HA 0.433 5.076 4.640 0.004 0.000 0.241 1117 D C 1.195 177.644 176.300 0.248 0.000 1.133 1117 D CA 0.209 54.371 54.000 0.269 0.000 0.890 1117 D CB 0.350 41.420 40.800 0.450 0.000 1.201 1117 D HN 0.209 nan 8.370 nan 0.000 0.432 1118 K N 1.402 121.913 120.400 0.185 0.000 2.676 1118 K HA 0.185 4.508 4.320 0.004 0.000 0.205 1118 K C -0.278 176.364 176.600 0.070 0.000 1.084 1118 K CA -0.407 55.959 56.287 0.131 0.000 1.057 1118 K CB 0.791 33.339 32.500 0.080 0.000 0.791 1118 K HN 0.272 nan 8.250 nan 0.000 0.484 1119 S N 1.737 117.465 115.700 0.047 0.000 2.576 1119 S HA 0.022 4.494 4.470 0.004 0.000 0.272 1119 S C 0.635 175.181 174.600 -0.090 0.000 1.352 1119 S CA -0.324 57.804 58.200 -0.121 0.000 1.021 1119 S CB 0.747 63.704 63.200 -0.405 0.000 0.887 1119 S HN 0.438 nan 8.310 nan 0.000 0.542 1120 S N 1.908 117.546 115.700 -0.103 0.000 2.624 1120 S HA 0.294 4.767 4.470 0.004 0.000 0.263 1120 S C 1.088 175.649 174.600 -0.066 0.000 1.287 1120 S CA -0.677 57.485 58.200 -0.063 0.000 0.990 1120 S CB 0.466 63.637 63.200 -0.049 0.000 0.950 1120 S HN 0.608 nan 8.310 nan 0.000 0.561 1121 K N 1.038 121.413 120.400 -0.041 0.000 2.044 1121 K HA -0.139 4.183 4.320 0.004 0.000 0.210 1121 K C 2.036 178.624 176.600 -0.019 0.000 1.049 1121 K CA 1.890 58.159 56.287 -0.031 0.000 0.927 1121 K CB -0.437 32.057 32.500 -0.010 0.000 0.713 1121 K HN 0.740 nan 8.250 nan 0.000 0.443 1122 E N -0.006 120.184 120.200 -0.016 0.000 2.107 1122 E HA -0.115 4.237 4.350 0.004 0.000 0.191 1122 E C 2.002 178.601 176.600 -0.002 0.000 0.982 1122 E CA 0.775 57.171 56.400 -0.007 0.000 0.809 1122 E CB -0.020 29.676 29.700 -0.008 0.000 0.756 1122 E HN 0.270 nan 8.360 nan 0.000 0.459 1123 A N 1.484 124.298 122.820 -0.010 0.000 1.902 1123 A HA -0.160 4.163 4.320 0.004 0.000 0.217 1123 A C 2.186 179.856 177.584 0.143 0.000 1.181 1123 A CA 0.998 53.049 52.037 0.024 0.000 0.623 1123 A CB -0.572 18.367 19.000 -0.102 0.000 0.818 1123 A HN 0.113 nan 8.150 nan 0.000 0.443 1124 I N -0.432 120.207 120.570 0.116 0.000 2.226 1124 I HA -0.264 3.909 4.170 0.004 0.000 0.245 1124 I C 2.414 178.525 176.117 -0.009 0.000 1.100 1124 I CA 1.129 62.492 61.300 0.104 0.000 1.374 1124 I CB -0.276 37.679 38.000 -0.074 0.000 1.057 1124 I HN 0.303 nan 8.210 nan 0.000 0.413 1125 Q N 0.441 120.242 119.800 0.002 0.000 2.364 1125 Q HA -0.127 4.215 4.340 0.004 0.000 0.209 1125 Q C 1.645 177.632 176.000 -0.022 0.000 0.977 1125 Q CA 0.861 56.666 55.803 0.003 0.000 0.885 1125 Q CB -0.556 28.190 28.738 0.014 0.000 0.941 1125 Q HN 0.539 nan 8.270 nan 0.000 0.464 1126 N N 0.261 118.932 118.700 -0.047 0.000 2.459 1126 N HA -0.025 4.718 4.740 0.004 0.000 0.181 1126 N C 0.778 176.236 175.510 -0.086 0.000 1.046 1126 N CA 1.090 54.117 53.050 -0.037 0.000 0.904 1126 N CB 0.278 38.763 38.487 -0.005 0.000 0.964 1126 N HN 0.309 nan 8.380 nan 0.000 0.444 1127 G N -0.126 108.464 108.800 -0.351 0.000 2.712 1127 G HA2 -0.146 3.816 3.960 0.004 0.000 0.683 1127 G HA3 -0.146 3.816 3.960 0.004 0.000 0.683 1127 G C -1.300 173.036 174.900 -0.940 0.000 1.320 1127 G CA -0.835 43.970 45.100 -0.492 0.000 0.847 1127 G HN 0.098 nan 8.290 nan 0.000 0.553 1128 F N -0.094 119.562 119.950 -0.489 0.000 2.539 1128 F HA 0.766 5.296 4.527 0.004 0.000 0.318 1128 F C -0.017 175.505 175.800 -0.463 0.000 1.135 1128 F CA -0.657 57.171 58.000 -0.286 0.000 0.915 1128 F CB 2.063 40.968 39.000 -0.159 0.000 1.176 1128 F HN 0.583 nan 8.300 nan 0.000 0.440 1129 Y N 0.937 121.416 120.300 0.298 0.000 2.644 1129 Y HA 0.573 5.126 4.550 0.004 0.000 0.338 1129 Y C -1.483 174.281 175.900 -0.227 0.000 1.119 1129 Y CA -1.550 56.623 58.100 0.123 0.000 1.060 1129 Y CB 2.166 40.652 38.460 0.043 0.000 1.294 1129 Y HN 0.518 nan 8.280 nan 0.000 0.472 1130 Y N 0.452 120.536 120.300 -0.359 0.000 2.442 1130 Y HA 0.722 5.274 4.550 0.004 0.000 0.344 1130 Y C -1.500 174.401 175.900 0.001 0.000 0.976 1130 Y CA -1.045 56.740 58.100 -0.525 0.000 1.040 1130 Y CB 1.672 39.410 38.460 -1.203 0.000 1.228 1130 Y HN 0.381 nan 8.280 nan 0.000 0.451 1131 V N 5.261 125.108 119.914 -0.111 0.000 2.448 1131 V HA 0.294 4.417 4.120 0.004 0.000 0.295 1131 V C -1.019 175.200 176.094 0.209 0.000 1.025 1131 V CA -0.845 61.552 62.300 0.162 0.000 0.859 1131 V CB 1.681 33.547 31.823 0.072 0.000 0.988 1131 V HN 0.713 nan 8.190 nan 0.000 0.431 1132 D N 3.454 124.083 120.400 0.382 0.000 2.414 1132 D HA 0.167 4.810 4.640 0.004 0.000 0.232 1132 D C -1.047 175.460 176.300 0.344 0.000 1.070 1132 D CA -0.296 53.894 54.000 0.318 0.000 0.839 1132 D CB 1.754 42.775 40.800 0.369 0.000 1.079 1132 D HN 0.564 nan 8.370 nan 0.000 0.521 1133 D N 4.287 124.836 120.400 0.249 0.000 2.494 1133 D HA 0.056 4.699 4.640 0.004 0.000 0.217 1133 D C -0.389 175.975 176.300 0.107 0.000 1.153 1133 D CA -0.350 53.758 54.000 0.181 0.000 0.954 1133 D CB -0.426 40.477 40.800 0.172 0.000 1.034 1133 D HN 0.356 nan 8.370 nan 0.000 0.518 1134 Y N 1.443 121.785 120.300 0.071 0.000 2.316 1134 Y HA 0.616 5.168 4.550 0.004 0.000 0.324 1134 Y C -2.250 173.665 175.900 0.025 0.000 1.267 1134 Y CA -2.785 55.325 58.100 0.016 0.000 1.311 1134 Y CB 0.262 38.725 38.460 0.005 0.000 1.267 1134 Y HN 0.131 nan 8.280 nan 0.000 0.516 1135 P HA 0.042 nan 4.420 nan 0.000 0.251 1135 P C -0.020 177.268 177.300 -0.020 0.000 1.718 1135 P CA -0.177 62.930 63.100 0.012 0.000 1.119 1135 P CB 0.834 32.596 31.700 0.103 0.000 1.762 1136 E N 2.984 123.111 120.200 -0.121 0.000 2.338 1136 E HA -0.195 4.158 4.350 0.004 0.000 0.197 1136 E C 0.736 177.281 176.600 -0.092 0.000 1.007 1136 E CA 1.102 57.479 56.400 -0.038 0.000 0.849 1136 E CB -0.235 29.391 29.700 -0.122 0.000 0.774 1136 E HN 0.445 nan 8.360 nan 0.000 0.506 1137 E N 0.607 120.721 120.200 -0.143 0.000 2.153 1137 E HA -0.105 4.248 4.350 0.004 0.000 0.194 1137 E C 1.795 178.135 176.600 -0.434 0.000 0.988 1137 E CA 1.410 57.691 56.400 -0.198 0.000 0.811 1137 E CB 0.017 29.631 29.700 -0.144 0.000 0.746 1137 E HN 0.474 nan 8.360 nan 0.000 0.466 1138 A N -0.022 122.467 122.820 -0.551 0.000 2.055 1138 A HA 0.230 4.553 4.320 0.004 0.000 0.205 1138 A C 0.821 178.087 177.584 -0.530 0.000 1.235 1138 A CA 0.019 51.499 52.037 -0.928 0.000 0.822 1138 A CB 0.503 18.863 19.000 -1.066 0.000 0.903 1138 A HN 0.004 nan 8.150 nan 0.000 0.473 1139 L N 0.353 121.399 121.223 -0.294 0.000 2.341 1139 L HA 0.506 4.848 4.340 0.004 0.000 0.267 1139 L C -1.492 175.340 176.870 -0.064 0.000 1.009 1139 L CA -0.960 53.771 54.840 -0.181 0.000 0.819 1139 L CB 1.978 43.965 42.059 -0.120 0.000 1.323 1139 L HN 0.058 nan 8.230 nan 0.000 0.425 1140 D N 1.100 121.435 120.400 -0.108 0.000 2.362 1140 D HA 0.350 4.993 4.640 0.004 0.000 0.247 1140 D C -0.452 175.726 176.300 -0.204 0.000 1.050 1140 D CA -0.331 53.598 54.000 -0.119 0.000 0.839 1140 D CB 3.107 43.853 40.800 -0.090 0.000 1.283 1140 D HN 0.023 nan 8.370 nan 0.000 0.477 1141 V N 2.449 122.171 119.914 -0.320 0.000 2.843 1141 V HA 0.068 4.191 4.120 0.004 0.000 0.305 1141 V C 0.991 176.972 176.094 -0.187 0.000 1.065 1141 V CA 0.071 62.180 62.300 -0.318 0.000 1.116 1141 V CB 0.490 32.059 31.823 -0.424 0.000 0.968 1141 V HN 0.319 nan 8.190 nan 0.000 0.487 1142 R N 4.623 125.034 120.500 -0.148 0.000 2.522 1142 R HA 0.256 4.598 4.340 0.004 0.000 0.290 1142 R C -1.935 174.321 176.300 -0.075 0.000 1.216 1142 R CA -1.519 54.520 56.100 -0.102 0.000 1.250 1142 R CB 0.854 31.096 30.300 -0.097 0.000 1.143 1142 R HN 0.541 nan 8.270 nan 0.000 0.553 1143 P HA -0.165 nan 4.420 nan 0.000 0.221 1143 P C 0.565 177.845 177.300 -0.034 0.000 1.150 1143 P CA 1.028 64.085 63.100 -0.071 0.000 0.800 1143 P CB 0.220 31.867 31.700 -0.088 0.000 0.787 1144 D N -0.408 119.977 120.400 -0.026 0.000 2.348 1144 D HA -0.096 4.546 4.640 0.004 0.000 0.216 1144 D C 1.413 177.722 176.300 0.015 0.000 0.970 1144 D CA 0.841 54.837 54.000 -0.006 0.000 0.889 1144 D CB -0.619 40.178 40.800 -0.006 0.000 0.912 1144 D HN 0.262 nan 8.370 nan 0.000 0.524 1145 L N 0.428 121.663 121.223 0.020 0.000 2.693 1145 L HA 0.188 4.531 4.340 0.004 0.000 0.235 1145 L C 0.378 177.288 176.870 0.067 0.000 1.127 1145 L CA -0.234 54.636 54.840 0.051 0.000 0.914 1145 L CB 0.871 42.971 42.059 0.067 0.000 1.193 1145 L HN -0.201 nan 8.230 nan 0.000 0.502 1146 V N 1.755 121.705 119.914 0.060 0.000 2.521 1146 V HA 0.108 4.230 4.120 0.004 0.000 0.286 1146 V C 0.195 176.361 176.094 0.120 0.000 1.034 1146 V CA 0.284 62.649 62.300 0.108 0.000 1.045 1146 V CB 0.675 32.570 31.823 0.120 0.000 0.974 1146 V HN 0.226 nan 8.190 nan 0.000 0.480 1147 K N 3.429 123.902 120.400 0.121 0.000 2.464 1147 K HA 0.699 5.022 4.320 0.004 0.000 0.253 1147 K C -1.675 174.969 176.600 0.074 0.000 0.933 1147 K CA -0.767 55.576 56.287 0.093 0.000 0.801 1147 K CB 2.791 35.326 32.500 0.058 0.000 1.271 1147 K HN 0.387 nan 8.250 nan 0.000 0.430 1148 V N 1.871 121.828 119.914 0.073 0.000 2.378 1148 V HA 0.611 4.734 4.120 0.004 0.000 0.288 1148 V C -0.613 175.471 176.094 -0.016 0.000 1.016 1148 V CA -0.747 61.569 62.300 0.026 0.000 0.840 1148 V CB 1.262 33.142 31.823 0.094 0.000 0.994 1148 V HN 0.890 nan 8.190 nan 0.000 0.431 1149 A N 3.604 126.393 122.820 -0.053 0.000 2.374 1149 A HA 0.858 5.181 4.320 0.004 0.000 0.317 1149 A C -0.418 177.097 177.584 -0.115 0.000 1.094 1149 A CA -0.680 51.319 52.037 -0.062 0.000 0.765 1149 A CB 1.399 20.379 19.000 -0.033 0.000 1.268 1149 A HN 0.867 nan 8.150 nan 0.000 0.438 1150 D N 0.322 120.653 120.400 -0.115 0.000 2.425 1150 D HA 0.144 4.786 4.640 0.004 0.000 0.274 1150 D C 0.534 176.793 176.300 -0.067 0.000 1.242 1150 D CA -0.042 53.880 54.000 -0.130 0.000 1.060 1150 D CB 0.173 40.935 40.800 -0.063 0.000 1.112 1150 D HN 0.525 nan 8.370 nan 0.000 0.561 1151 E N -1.237 118.935 120.200 -0.047 0.000 2.358 1151 E HA -0.056 4.297 4.350 0.004 0.000 0.195 1151 E C 1.468 178.056 176.600 -0.020 0.000 1.010 1151 E CA 0.494 56.876 56.400 -0.031 0.000 0.856 1151 E CB 0.036 29.721 29.700 -0.025 0.000 0.795 1151 E HN 0.357 nan 8.360 nan 0.000 0.504 1152 K N -0.604 119.787 120.400 -0.015 0.000 2.400 1152 K HA 0.058 4.380 4.320 0.004 0.000 0.194 1152 K C 1.027 177.620 176.600 -0.012 0.000 1.033 1152 K CA 0.529 56.809 56.287 -0.012 0.000 1.021 1152 K CB 0.699 33.195 32.500 -0.007 0.000 0.808 1152 K HN 0.199 nan 8.250 nan 0.000 0.505 1153 G N 1.603 110.393 108.800 -0.016 0.000 2.141 1153 G HA2 -0.186 3.776 3.960 0.004 0.000 0.231 1153 G HA3 -0.186 3.776 3.960 0.004 0.000 0.231 1153 G C -0.421 174.473 174.900 -0.010 0.000 0.984 1153 G CA -0.481 44.610 45.100 -0.015 0.000 0.660 1153 G HN 0.187 nan 8.290 nan 0.000 0.525 1154 N N 0.795 119.490 118.700 -0.008 0.000 2.518 1154 N HA 0.381 5.124 4.740 0.004 0.000 0.283 1154 N C 0.499 176.009 175.510 -0.000 0.000 1.119 1154 N CA -0.182 52.869 53.050 0.001 0.000 0.983 1154 N CB 0.745 39.238 38.487 0.009 0.000 1.139 1154 N HN 0.502 nan 8.380 nan 0.000 0.465 1155 Q N 0.209 120.015 119.800 0.010 0.000 2.361 1155 Q HA 0.169 4.511 4.340 0.004 0.000 0.276 1155 Q C -0.393 175.622 176.000 0.024 0.000 1.022 1155 Q CA 0.043 55.855 55.803 0.016 0.000 0.898 1155 Q CB 0.810 29.564 28.738 0.027 0.000 1.246 1155 Q HN 0.281 nan 8.270 nan 0.000 0.410 1156 V N 3.204 123.126 119.914 0.013 0.000 2.385 1156 V HA 0.135 4.258 4.120 0.004 0.000 0.269 1156 V C 0.152 176.296 176.094 0.083 0.000 1.043 1156 V CA -0.350 61.968 62.300 0.029 0.000 0.906 1156 V CB 0.977 32.736 31.823 -0.107 0.000 0.995 1156 V HN 0.879 nan 8.190 nan 0.000 0.467 1157 S N 3.404 119.172 115.700 0.113 0.000 2.610 1157 S HA 0.656 5.129 4.470 0.004 0.000 0.273 1157 S C 1.091 175.778 174.600 0.146 0.000 1.274 1157 S CA 0.179 58.443 58.200 0.107 0.000 1.023 1157 S CB 1.430 64.678 63.200 0.080 0.000 0.962 1157 S HN 2.000 nan 8.310 nan 0.000 0.523 1158 G N -0.219 108.655 108.800 0.123 0.000 2.157 1158 G HA2 -0.190 3.773 3.960 0.004 0.000 0.248 1158 G HA3 -0.190 3.773 3.960 0.004 0.000 0.248 1158 G C -0.143 174.837 174.900 0.134 0.000 0.979 1158 G CA 0.023 45.205 45.100 0.136 0.000 0.650 1158 G HN 1.200 nan 8.290 nan 0.000 0.529 1159 V N 1.605 121.599 119.914 0.133 0.000 2.487 1159 V HA 0.776 4.898 4.120 0.004 0.000 0.298 1159 V C 0.427 176.617 176.094 0.160 0.000 1.028 1159 V CA 0.035 62.421 62.300 0.142 0.000 0.860 1159 V CB 1.788 33.716 31.823 0.175 0.000 0.991 1159 V HN 0.930 nan 8.190 nan 0.000 0.427 1160 S N 3.824 119.617 115.700 0.156 0.000 2.677 1160 S HA 0.871 5.344 4.470 0.004 0.000 0.304 1160 S C -0.852 173.793 174.600 0.075 0.000 1.108 1160 S CA -0.886 57.378 58.200 0.107 0.000 0.944 1160 S CB 2.249 65.487 63.200 0.064 0.000 1.127 1160 S HN 0.693 nan 8.310 nan 0.000 0.511 1161 V N 0.901 120.776 119.914 -0.066 0.000 2.709 1161 V HA 0.630 4.752 4.120 0.004 0.000 0.308 1161 V C -1.814 174.085 176.094 -0.325 0.000 1.062 1161 V CA -0.367 61.733 62.300 -0.334 0.000 0.901 1161 V CB 1.863 33.339 31.823 -0.579 0.000 1.003 1161 V HN 0.966 nan 8.190 nan 0.000 0.425 1162 Q N 4.375 123.916 119.800 -0.432 0.000 2.372 1162 Q HA 0.456 4.799 4.340 0.004 0.000 0.273 1162 Q C -1.358 174.147 176.000 -0.825 0.000 1.078 1162 Q CA -0.507 54.943 55.803 -0.588 0.000 0.806 1162 Q CB 2.506 30.858 28.738 -0.642 0.000 1.332 1162 Q HN 0.775 nan 8.270 nan 0.000 0.435 1163 Q N 2.444 121.790 119.800 -0.757 0.000 2.325 1163 Q HA 0.354 4.696 4.340 0.004 0.000 0.262 1163 Q C -1.535 174.019 176.000 -0.745 0.000 0.968 1163 Q CA -0.324 55.105 55.803 -0.623 0.000 0.877 1163 Q CB 0.706 29.255 28.738 -0.315 0.000 1.253 1163 Q HN 0.507 nan 8.270 nan 0.000 0.448 1164 Y N 1.961 121.968 120.300 -0.487 0.000 2.409 1164 Y HA 0.219 4.771 4.550 0.004 0.000 0.339 1164 Y C 0.789 176.499 175.900 -0.316 0.000 1.033 1164 Y CA -1.026 56.808 58.100 -0.444 0.000 1.094 1164 Y CB 1.494 39.570 38.460 -0.640 0.000 1.210 1164 Y HN 0.565 nan 8.280 nan 0.000 0.456 1165 D N 0.385 120.790 120.400 0.009 0.000 2.317 1165 D HA 0.011 4.653 4.640 0.004 0.000 0.211 1165 D C 0.087 176.407 176.300 0.034 0.000 0.966 1165 D CA 0.990 54.993 54.000 0.005 0.000 0.876 1165 D CB 0.277 41.084 40.800 0.011 0.000 0.927 1165 D HN 0.456 nan 8.370 nan 0.000 0.519 1166 S N -1.538 114.215 115.700 0.088 0.000 2.627 1166 S HA 0.159 4.632 4.470 0.004 0.000 0.268 1166 S C 0.322 175.067 174.600 0.241 0.000 1.130 1166 S CA -0.832 57.459 58.200 0.152 0.000 0.819 1166 S CB 0.950 64.187 63.200 0.060 0.000 1.100 1166 S HN -0.088 nan 8.310 nan 0.000 0.465 1167 L N 1.462 122.818 121.223 0.221 0.000 2.042 1167 L HA 0.076 4.418 4.340 0.004 0.000 0.210 1167 L C 2.258 179.141 176.870 0.022 0.000 1.076 1167 L CA 2.324 57.242 54.840 0.130 0.000 0.749 1167 L CB -1.166 40.870 42.059 -0.039 0.000 0.893 1167 L HN 0.876 nan 8.230 nan 0.000 0.432 1168 E N 0.184 120.385 120.200 0.003 0.000 2.085 1168 E HA -0.177 4.175 4.350 0.004 0.000 0.194 1168 E C 2.145 178.722 176.600 -0.038 0.000 0.994 1168 E CA 1.557 57.942 56.400 -0.025 0.000 0.801 1168 E CB -0.621 29.068 29.700 -0.019 0.000 0.743 1168 E HN 0.626 nan 8.360 nan 0.000 0.453 1169 A N 0.396 123.200 122.820 -0.025 0.000 2.167 1169 A HA 0.318 4.641 4.320 0.004 0.000 0.214 1169 A C 1.271 178.779 177.584 -0.127 0.000 1.151 1169 A CA 0.615 52.627 52.037 -0.041 0.000 0.735 1169 A CB -0.323 18.678 19.000 0.002 0.000 0.802 1169 A HN 0.221 nan 8.150 nan 0.000 0.467 1170 A N 0.713 123.402 122.820 -0.219 0.000 2.407 1170 A HA 0.540 4.862 4.320 0.004 0.000 0.248 1170 A C -2.348 175.007 177.584 -0.381 0.000 1.082 1170 A CA -1.298 50.393 52.037 -0.577 0.000 0.785 1170 A CB -0.319 18.379 19.000 -0.504 0.000 1.020 1170 A HN 0.214 nan 8.150 nan 0.000 0.489 1171 P HA 0.025 nan 4.420 nan 0.000 0.267 1171 P C 0.642 177.844 177.300 -0.163 0.000 1.201 1171 P CA -0.062 62.913 63.100 -0.210 0.000 0.775 1171 P CB 0.538 32.145 31.700 -0.157 0.000 0.854 1172 K N 3.511 123.848 120.400 -0.104 0.000 2.074 1172 K HA -0.208 4.115 4.320 0.004 0.000 0.209 1172 K C 1.526 178.076 176.600 -0.083 0.000 1.048 1172 K CA 1.908 58.145 56.287 -0.084 0.000 0.926 1172 K CB -0.474 31.990 32.500 -0.059 0.000 0.713 1172 K HN 0.256 nan 8.250 nan 0.000 0.444 1173 K N -0.194 120.165 120.400 -0.069 0.000 2.103 1173 K HA -0.108 4.215 4.320 0.004 0.000 0.207 1173 K C 2.000 178.546 176.600 -0.090 0.000 1.048 1173 K CA 1.576 57.828 56.287 -0.058 0.000 0.930 1173 K CB -0.205 32.281 32.500 -0.022 0.000 0.716 1173 K HN 0.025 nan 8.250 nan 0.000 0.444 1174 V N 1.591 121.438 119.914 -0.110 0.000 2.379 1174 V HA -0.238 3.885 4.120 0.004 0.000 0.245 1174 V C 2.269 178.280 176.094 -0.138 0.000 1.044 1174 V CA 1.556 63.782 62.300 -0.124 0.000 1.036 1174 V CB -0.482 31.263 31.823 -0.131 0.000 0.664 1174 V HN 0.341 nan 8.190 nan 0.000 0.453 1175 Q N -0.152 119.568 119.800 -0.132 0.000 2.077 1175 Q HA -0.264 4.079 4.340 0.004 0.000 0.206 1175 Q C 2.080 177.998 176.000 -0.136 0.000 0.989 1175 Q CA 2.041 57.766 55.803 -0.131 0.000 0.853 1175 Q CB -0.294 28.378 28.738 -0.110 0.000 0.907 1175 Q HN 0.615 nan 8.270 nan 0.000 0.418 1176 D N 0.516 120.846 120.400 -0.117 0.000 2.117 1176 D HA -0.140 4.502 4.640 0.004 0.000 0.197 1176 D C 1.999 178.222 176.300 -0.128 0.000 0.987 1176 D CA 1.105 55.042 54.000 -0.105 0.000 0.829 1176 D CB -0.224 40.529 40.800 -0.078 0.000 0.961 1176 D HN 0.263 nan 8.370 nan 0.000 0.460 1177 L N -1.043 120.081 121.223 -0.165 0.000 2.141 1177 L HA -0.018 4.324 4.340 0.004 0.000 0.209 1177 L C 2.118 178.845 176.870 -0.239 0.000 1.094 1177 L CA 1.305 56.014 54.840 -0.218 0.000 0.763 1177 L CB -0.962 40.882 42.059 -0.359 0.000 0.908 1177 L HN -0.064 nan 8.230 nan 0.000 0.437 1178 L N 0.093 121.167 121.223 -0.247 0.000 2.093 1178 L HA -0.145 4.197 4.340 0.004 0.000 0.208 1178 L C 2.904 179.643 176.870 -0.219 0.000 1.085 1178 L CA 1.761 56.441 54.840 -0.267 0.000 0.755 1178 L CB -0.700 41.165 42.059 -0.323 0.000 0.904 1178 L HN 0.444 nan 8.230 nan 0.000 0.435 1179 K N 1.135 121.429 120.400 -0.178 0.000 2.026 1179 K HA -0.266 4.057 4.320 0.004 0.000 0.208 1179 K C 2.220 178.752 176.600 -0.113 0.000 1.048 1179 K CA 1.757 57.961 56.287 -0.139 0.000 0.929 1179 K CB -0.056 32.376 32.500 -0.113 0.000 0.713 1179 K HN 0.130 nan 8.250 nan 0.000 0.439 1180 K N 0.035 120.373 120.400 -0.104 0.000 2.097 1180 K HA -0.078 4.245 4.320 0.004 0.000 0.206 1180 K C 1.752 178.313 176.600 -0.064 0.000 1.049 1180 K CA 1.228 57.471 56.287 -0.072 0.000 0.933 1180 K CB -0.146 32.316 32.500 -0.064 0.000 0.717 1180 K HN 0.261 nan 8.250 nan 0.000 0.442 1181 A N 1.016 123.778 122.820 -0.095 0.000 2.206 1181 A HA -0.043 4.279 4.320 0.004 0.000 0.211 1181 A C 0.470 178.000 177.584 -0.089 0.000 1.158 1181 A CA 0.681 52.671 52.037 -0.079 0.000 0.761 1181 A CB -0.429 18.500 19.000 -0.118 0.000 0.801 1181 A HN 0.670 nan 8.150 nan 0.000 0.473 1182 N N -1.150 117.484 118.700 -0.111 0.000 2.727 1182 N HA -0.150 4.592 4.740 0.004 0.000 0.251 1182 N C -0.842 174.557 175.510 -0.185 0.000 1.040 1182 N CA 0.693 53.673 53.050 -0.116 0.000 0.712 1182 N CB -1.802 36.650 38.487 -0.059 0.000 0.912 1182 N HN 0.514 nan 8.380 nan 0.000 0.545 1183 I N 0.428 120.831 120.570 -0.278 0.000 2.404 1183 I HA 0.275 4.447 4.170 0.004 0.000 0.293 1183 I C 0.332 176.173 176.117 -0.459 0.000 0.992 1183 I CA -0.541 60.476 61.300 -0.470 0.000 1.149 1183 I CB 1.912 39.569 38.000 -0.572 0.000 1.315 1183 I HN 0.019 nan 8.210 nan 0.000 0.446 1184 T N 6.026 120.289 114.554 -0.485 0.000 2.794 1184 T HA 0.536 4.888 4.350 0.004 0.000 0.280 1184 T C -0.307 174.154 174.700 -0.398 0.000 0.987 1184 T CA -0.520 61.366 62.100 -0.356 0.000 0.993 1184 T CB 1.457 70.192 68.868 -0.221 0.000 0.939 1184 T HN 0.393 nan 8.240 nan 0.000 0.449 1185 V N 1.099 120.792 119.914 -0.368 0.000 2.919 1185 V HA 0.743 4.866 4.120 0.004 0.000 0.316 1185 V C -0.472 175.518 176.094 -0.174 0.000 1.077 1185 V CA -1.253 60.865 62.300 -0.304 0.000 0.977 1185 V CB 1.875 33.380 31.823 -0.530 0.000 1.039 1185 V HN 0.773 nan 8.190 nan 0.000 0.441 1186 K N 2.062 122.403 120.400 -0.097 0.000 2.293 1186 K HA 0.631 4.954 4.320 0.004 0.000 0.267 1186 K C 0.712 177.281 176.600 -0.052 0.000 1.010 1186 K CA 0.526 56.775 56.287 -0.064 0.000 0.875 1186 K CB 0.849 33.324 32.500 -0.042 0.000 1.106 1186 K HN 1.712 nan 8.250 nan 0.000 0.450 1187 G N 3.113 111.896 108.800 -0.028 0.000 2.611 1187 G HA2 -0.366 3.596 3.960 0.004 0.000 0.301 1187 G HA3 -0.366 3.596 3.960 0.004 0.000 0.301 1187 G C -0.077 174.848 174.900 0.041 0.000 1.233 1187 G CA -0.040 45.051 45.100 -0.016 0.000 0.993 1187 G HN 0.928 nan 8.290 nan 0.000 0.553 1188 A N 0.131 122.897 122.820 -0.091 0.000 2.351 1188 A HA 0.821 5.144 4.320 0.004 0.000 0.257 1188 A C -0.120 177.351 177.584 -0.189 0.000 1.087 1188 A CA 1.081 53.030 52.037 -0.146 0.000 0.798 1188 A CB 0.054 18.890 19.000 -0.273 0.000 1.033 1188 A HN 2.171 nan 8.150 nan 0.000 0.488 1189 F N -1.605 118.253 119.950 -0.153 0.000 2.741 1189 F HA 0.651 5.180 4.527 0.004 0.000 0.313 1189 F C -0.908 175.003 175.800 0.184 0.000 1.153 1189 F CA -1.064 56.937 58.000 0.001 0.000 0.931 1189 F CB 1.148 40.151 39.000 0.004 0.000 1.335 1189 F HN 0.510 nan 8.300 nan 0.000 0.460 1190 Q N 1.610 121.571 119.800 0.269 0.000 2.309 1190 Q HA 0.666 5.008 4.340 0.004 0.000 0.264 1190 Q C -1.817 174.258 176.000 0.125 0.000 1.008 1190 Q CA -1.166 54.616 55.803 -0.036 0.000 0.853 1190 Q CB 2.944 31.628 28.738 -0.090 0.000 1.314 1190 Q HN 0.697 nan 8.270 nan 0.000 0.448 1191 L N 2.626 123.809 121.223 -0.067 0.000 2.325 1191 L HA 0.525 4.867 4.340 0.004 0.000 0.281 1191 L C -1.786 175.043 176.870 -0.068 0.000 1.004 1191 L CA -0.123 54.791 54.840 0.124 0.000 0.823 1191 L CB 0.660 42.888 42.059 0.283 0.000 1.236 1191 L HN 0.475 nan 8.230 nan 0.000 0.415 1192 F N 3.131 123.176 119.950 0.159 0.000 2.410 1192 F HA 0.603 5.132 4.527 0.004 0.000 0.349 1192 F C 0.622 176.581 175.800 0.264 0.000 1.117 1192 F CA -0.185 57.915 58.000 0.167 0.000 1.104 1192 F CB 1.788 40.848 39.000 0.099 0.000 1.122 1192 F HN 0.410 nan 8.300 nan 0.000 0.483 1193 S N 1.813 117.756 115.700 0.404 0.000 2.532 1193 S HA 0.682 5.154 4.470 0.004 0.000 0.299 1193 S C -0.518 174.119 174.600 0.061 0.000 1.105 1193 S CA -0.825 57.539 58.200 0.274 0.000 1.018 1193 S CB 1.706 65.096 63.200 0.316 0.000 1.021 1193 S HN 0.730 nan 8.310 nan 0.000 0.483 1194 A N 2.383 125.051 122.820 -0.253 0.000 2.438 1194 A HA 0.260 4.582 4.320 0.004 0.000 0.280 1194 A C 0.735 178.237 177.584 -0.137 0.000 1.160 1194 A CA -0.305 51.501 52.037 -0.385 0.000 0.821 1194 A CB -0.128 18.395 19.000 -0.796 0.000 1.101 1194 A HN 0.790 nan 8.150 nan 0.000 0.515 1195 D N 1.106 121.500 120.400 -0.011 0.000 2.144 1195 D HA -0.094 4.548 4.640 0.004 0.000 0.199 1195 D C 0.364 176.696 176.300 0.054 0.000 0.984 1195 D CA 1.585 55.611 54.000 0.044 0.000 0.834 1195 D CB 0.163 41.003 40.800 0.067 0.000 0.955 1195 D HN 0.566 nan 8.370 nan 0.000 0.465 1196 N N -0.451 118.294 118.700 0.075 0.000 2.664 1196 N HA 0.139 4.882 4.740 0.004 0.000 0.257 1196 N C -2.279 173.326 175.510 0.159 0.000 1.108 1196 N CA -1.815 51.297 53.050 0.102 0.000 0.822 1196 N CB 1.886 40.434 38.487 0.101 0.000 1.199 1196 N HN -0.276 nan 8.380 nan 0.000 0.529 1197 P HA -0.143 nan 4.420 nan 0.000 0.217 1197 P C 0.983 178.508 177.300 0.376 0.000 1.148 1197 P CA 1.111 64.389 63.100 0.298 0.000 0.828 1197 P CB 0.580 32.382 31.700 0.171 0.000 0.783 1198 E N -0.019 120.324 120.200 0.237 0.000 2.072 1198 E HA -0.172 4.180 4.350 0.004 0.000 0.190 1198 E C 1.834 178.559 176.600 0.209 0.000 0.982 1198 E CA 0.854 57.385 56.400 0.218 0.000 0.803 1198 E CB -0.147 29.632 29.700 0.131 0.000 0.755 1198 E HN 0.246 nan 8.360 nan 0.000 0.453 1199 E N -0.164 120.130 120.200 0.157 0.000 2.047 1199 E HA -0.171 4.181 4.350 0.004 0.000 0.191 1199 E C 1.866 178.502 176.600 0.060 0.000 0.987 1199 E CA 0.990 57.443 56.400 0.087 0.000 0.799 1199 E CB -0.215 29.529 29.700 0.074 0.000 0.752 1199 E HN 0.265 nan 8.360 nan 0.000 0.449 1200 F N 0.636 120.583 119.950 -0.006 0.000 2.126 1200 F HA -0.286 4.243 4.527 0.004 0.000 0.299 1200 F C 2.251 177.942 175.800 -0.181 0.000 1.096 1200 F CA 1.588 59.556 58.000 -0.053 0.000 1.255 1200 F CB -0.330 38.650 39.000 -0.033 0.000 0.997 1200 F HN 0.041 nan 8.300 nan 0.000 0.479 1201 Y N 1.295 121.520 120.300 -0.125 0.000 2.097 1201 Y HA -0.246 4.306 4.550 0.004 0.000 0.282 1201 Y C 2.395 178.158 175.900 -0.229 0.000 1.152 1201 Y CA 2.283 60.216 58.100 -0.278 0.000 1.136 1201 Y CB -0.589 37.874 38.460 0.004 0.000 0.975 1201 Y HN -0.023 nan 8.280 nan 0.000 0.498 1202 K N -0.269 120.081 120.400 -0.084 0.000 2.103 1202 K HA -0.279 4.043 4.320 0.004 0.000 0.207 1202 K C 2.257 178.639 176.600 -0.362 0.000 1.048 1202 K CA 1.951 58.127 56.287 -0.186 0.000 0.930 1202 K CB -0.208 32.266 32.500 -0.044 0.000 0.716 1202 K HN 0.510 nan 8.250 nan 0.000 0.444 1203 Q N -0.897 118.611 119.800 -0.487 0.000 2.165 1203 Q HA -0.084 4.258 4.340 0.004 0.000 0.197 1203 Q C 1.028 176.514 176.000 -0.856 0.000 0.952 1203 Q CA 1.134 56.503 55.803 -0.723 0.000 0.848 1203 Q CB 0.310 28.449 28.738 -0.998 0.000 0.931 1203 Q HN 0.303 nan 8.270 nan 0.000 0.470 1204 Y N -1.934 117.987 120.300 -0.632 0.000 2.664 1204 Y HA 0.137 4.690 4.550 0.004 0.000 0.278 1204 Y C 1.924 177.470 175.900 -0.590 0.000 1.130 1204 Y CA 0.072 57.765 58.100 -0.677 0.000 1.260 1204 Y CB 0.132 37.953 38.460 -1.065 0.000 1.369 1204 Y HN -0.118 nan 8.280 nan 0.000 0.499 1205 V N 0.313 119.884 119.914 -0.573 0.000 2.229 1205 V HA -0.226 3.897 4.120 0.004 0.000 0.243 1205 V C 2.488 178.381 176.094 -0.334 0.000 1.042 1205 V CA 2.073 64.107 62.300 -0.444 0.000 1.000 1205 V CB -1.379 30.058 31.823 -0.643 0.000 0.637 1205 V HN 0.359 nan 8.190 nan 0.000 0.446 1206 A N 0.654 123.079 122.820 -0.659 0.000 2.125 1206 A HA -0.178 4.145 4.320 0.004 0.000 0.219 1206 A C 2.285 179.738 177.584 -0.219 0.000 1.156 1206 A CA 2.150 53.919 52.037 -0.448 0.000 0.671 1206 A CB -0.813 17.809 19.000 -0.629 0.000 0.794 1206 A HN 0.685 nan 8.150 nan 0.000 0.459 1207 T N -4.507 109.906 114.554 -0.235 0.000 3.081 1207 T HA 0.380 4.732 4.350 0.004 0.000 0.250 1207 T C 1.304 175.952 174.700 -0.088 0.000 1.100 1207 T CA 1.006 63.016 62.100 -0.151 0.000 1.038 1207 T CB -0.170 68.590 68.868 -0.180 0.000 0.962 1207 T HN 1.669 nan 8.240 nan 0.000 0.516 1208 G N 1.387 110.149 108.800 -0.064 0.000 2.246 1208 G HA2 -0.217 3.746 3.960 0.004 0.000 0.273 1208 G HA3 -0.217 3.746 3.960 0.004 0.000 0.273 1208 G C -0.027 174.860 174.900 -0.023 0.000 1.055 1208 G CA 0.172 45.266 45.100 -0.010 0.000 0.851 1208 G HN 0.685 nan 8.290 nan 0.000 0.500 1209 T N 1.279 115.804 114.554 -0.048 0.000 2.743 1209 T HA 0.581 4.934 4.350 0.004 0.000 0.292 1209 T C 0.580 175.235 174.700 -0.075 0.000 0.972 1209 T CA 0.035 62.112 62.100 -0.039 0.000 0.967 1209 T CB 1.474 70.348 68.868 0.011 0.000 0.926 1209 T HN 0.299 nan 8.240 nan 0.000 0.459 1210 S N 3.163 118.833 115.700 -0.051 0.000 2.617 1210 S HA 0.605 5.077 4.470 0.004 0.000 0.269 1210 S C 0.008 174.539 174.600 -0.115 0.000 1.292 1210 S CA -0.797 57.375 58.200 -0.046 0.000 1.010 1210 S CB 0.431 63.646 63.200 0.025 0.000 0.944 1210 S HN 0.458 nan 8.310 nan 0.000 0.536 1211 L N 1.355 122.510 121.223 -0.113 0.000 2.323 1211 L HA 0.718 5.061 4.340 0.004 0.000 0.265 1211 L C -1.083 175.757 176.870 -0.049 0.000 1.012 1211 L CA -1.058 53.689 54.840 -0.156 0.000 0.820 1211 L CB 1.655 43.534 42.059 -0.300 0.000 1.334 1211 L HN 0.276 nan 8.230 nan 0.000 0.427 1212 V N 2.571 122.442 119.914 -0.072 0.000 2.444 1212 V HA 0.433 4.556 4.120 0.004 0.000 0.294 1212 V C -0.127 175.909 176.094 -0.097 0.000 1.022 1212 V CA -0.336 61.923 62.300 -0.068 0.000 0.850 1212 V CB 1.926 33.724 31.823 -0.040 0.000 0.992 1212 V HN 0.476 nan 8.190 nan 0.000 0.426 1213 I N 3.761 124.223 120.570 -0.180 0.000 2.315 1213 I HA 0.316 4.489 4.170 0.004 0.000 0.291 1213 I C 0.412 176.471 176.117 -0.097 0.000 1.006 1213 I CA 0.068 61.233 61.300 -0.225 0.000 1.265 1213 I CB 1.482 39.134 38.000 -0.580 0.000 1.387 1213 I HN 0.517 nan 8.210 nan 0.000 0.475 1214 T N 4.468 119.016 114.554 -0.010 0.000 2.744 1214 T HA 0.183 4.536 4.350 0.004 0.000 0.291 1214 T C -0.301 174.460 174.700 0.102 0.000 0.957 1214 T CA -0.163 61.976 62.100 0.064 0.000 1.002 1214 T CB 0.650 69.565 68.868 0.077 0.000 0.919 1214 T HN 0.428 nan 8.240 nan 0.000 0.468 1215 D N 4.418 124.904 120.400 0.145 0.000 2.468 1215 D HA 0.351 4.994 4.640 0.004 0.000 0.272 1215 D C -2.514 173.881 176.300 0.158 0.000 1.221 1215 D CA -1.918 52.183 54.000 0.168 0.000 0.860 1215 D CB 1.032 41.948 40.800 0.194 0.000 1.190 1215 D HN 0.204 nan 8.370 nan 0.000 0.509 1219 V N 3.631 123.478 119.914 -0.112 0.000 2.529 1219 V HA 0.127 4.249 4.120 0.004 0.000 0.292 1219 V C 0.945 177.014 176.094 -0.041 0.000 1.028 1219 V CA -0.056 62.182 62.300 -0.104 0.000 1.074 1219 V CB 0.047 31.872 31.823 0.003 0.000 0.958 1219 V HN 0.687 nan 8.190 nan 0.000 0.481 1220 K N 3.536 123.900 120.400 -0.060 0.000 2.524 1220 K HA 0.024 4.347 4.320 0.004 0.000 0.279 1220 K C 1.331 177.964 176.600 0.055 0.000 0.993 1220 K CA 0.013 56.292 56.287 -0.014 0.000 1.030 1220 K CB 0.319 32.801 32.500 -0.030 0.000 0.891 1220 K HN 0.735 nan 8.250 nan 0.000 0.488 1221 S N 2.262 117.967 115.700 0.008 0.000 2.370 1221 S HA -0.185 4.288 4.470 0.004 0.000 0.226 1221 S C 1.720 176.317 174.600 -0.005 0.000 1.033 1221 S CA 1.445 59.631 58.200 -0.022 0.000 1.011 1221 S CB -0.133 63.016 63.200 -0.085 0.000 0.852 1221 S HN 0.657 nan 8.310 nan 0.000 0.457 1222 E N 0.676 120.889 120.200 0.022 0.000 2.204 1222 E HA -0.074 4.279 4.350 0.004 0.000 0.195 1222 E C 1.498 178.185 176.600 0.145 0.000 0.990 1222 E CA 0.614 57.041 56.400 0.045 0.000 0.821 1222 E CB -0.357 29.367 29.700 0.040 0.000 0.750 1222 E HN 0.458 nan 8.360 nan 0.000 0.477 1223 F N -0.006 119.953 119.950 0.015 0.000 2.333 1223 F HA 0.049 4.579 4.527 0.005 0.000 0.300 1223 F C 1.971 177.827 175.800 0.093 0.000 1.083 1223 F CA 1.441 59.467 58.000 0.043 0.000 1.395 1223 F CB -0.486 38.527 39.000 0.021 0.000 1.056 1223 F HN 0.125 nan 8.300 nan 0.000 0.529 1224 G N -0.314 108.585 108.800 0.165 0.000 2.498 1224 G HA2 -0.234 3.729 3.960 0.004 0.000 0.219 1224 G HA3 -0.234 3.729 3.960 0.004 0.000 0.219 1224 G C 1.701 176.714 174.900 0.190 0.000 1.119 1224 G CA 0.441 45.669 45.100 0.212 0.000 0.766 1224 G HN 0.340 nan 8.290 nan 0.000 0.552 1225 K N -0.148 120.343 120.400 0.151 0.000 2.365 1225 K HA 0.033 4.355 4.320 0.004 0.000 0.197 1225 K C 2.337 178.922 176.600 -0.025 0.000 1.042 1225 K CA 1.363 57.707 56.287 0.094 0.000 0.987 1225 K CB 0.257 32.810 32.500 0.089 0.000 0.779 1225 K HN 0.472 nan 8.250 nan 0.000 0.484 1226 T N -3.272 111.209 114.554 -0.122 0.000 3.058 1226 T HA 0.294 4.647 4.350 0.004 0.000 0.247 1226 T C 1.030 175.555 174.700 -0.292 0.000 0.987 1226 T CA 0.181 62.178 62.100 -0.170 0.000 1.062 1226 T CB 0.334 69.123 68.868 -0.131 0.000 1.048 1226 T HN 0.253 nan 8.240 nan 0.000 0.468 1227 G N 0.412 108.865 108.800 -0.580 0.000 2.782 1227 G HA2 0.384 4.347 3.960 0.004 0.000 0.228 1227 G HA3 0.384 4.347 3.960 0.004 0.000 0.228 1227 G C 0.124 174.681 174.900 -0.571 0.000 1.372 1227 G CA -0.385 44.371 45.100 -0.573 0.000 0.862 1227 G HN 2.010 nan 8.290 nan 0.000 0.547 1228 G N -1.302 107.370 108.800 -0.214 0.000 2.353 1228 G HA2 0.495 4.458 3.960 0.004 0.000 0.424 1228 G HA3 0.495 4.458 3.960 0.004 0.000 0.424 1228 G C -0.645 174.402 174.900 0.245 0.000 1.320 1228 G CA 0.106 45.222 45.100 0.027 0.000 0.995 1228 G HN 1.021 nan 8.290 nan 0.000 0.580 1229 K N -0.202 120.325 120.400 0.213 0.000 2.237 1229 K HA 0.558 4.881 4.320 0.004 0.000 0.270 1229 K C -0.409 176.385 176.600 0.324 0.000 1.015 1229 K CA -0.023 56.369 56.287 0.175 0.000 0.949 1229 K CB 1.021 33.571 32.500 0.083 0.000 0.976 1229 K HN 0.795 nan 8.250 nan 0.000 0.472 1230 Y N -1.803 118.602 120.300 0.174 0.000 2.588 1230 Y HA 0.512 5.065 4.550 0.004 0.000 0.343 1230 Y C -0.759 175.208 175.900 0.111 0.000 1.065 1230 Y CA -1.250 56.925 58.100 0.126 0.000 1.038 1230 Y CB 1.492 40.010 38.460 0.097 0.000 1.297 1230 Y HN 0.634 nan 8.280 nan 0.000 0.467 1231 E N 1.291 121.629 120.200 0.229 0.000 2.314 1231 E HA 0.433 4.786 4.350 0.004 0.000 0.272 1231 E C -2.002 174.689 176.600 0.152 0.000 0.884 1231 E CA -1.122 55.359 56.400 0.135 0.000 0.753 1231 E CB 2.318 32.051 29.700 0.055 0.000 1.213 1231 E HN 0.610 nan 8.360 nan 0.000 0.432 1232 N N 1.928 120.685 118.700 0.095 0.000 2.421 1232 N HA 0.280 5.022 4.740 0.004 0.000 0.285 1232 N C -1.569 173.885 175.510 -0.093 0.000 1.027 1232 N CA -0.486 52.534 53.050 -0.049 0.000 0.918 1232 N CB 1.148 39.392 38.487 -0.405 0.000 1.152 1232 N HN 0.415 nan 8.380 nan 0.000 0.485 1233 K N 1.649 121.996 120.400 -0.089 0.000 2.259 1233 K HA 0.831 5.153 4.320 0.004 0.000 0.252 1233 K C -1.190 175.255 176.600 -0.259 0.000 0.936 1233 K CA -1.021 55.158 56.287 -0.181 0.000 0.810 1233 K CB 2.008 34.438 32.500 -0.118 0.000 1.143 1233 K HN 0.533 nan 8.250 nan 0.000 0.427 1234 A N 2.231 124.767 122.820 -0.472 0.000 2.469 1234 A HA 0.787 5.110 4.320 0.004 0.000 0.299 1234 A C -1.794 175.238 177.584 -0.921 0.000 1.098 1234 A CA -0.674 51.081 52.037 -0.469 0.000 0.737 1234 A CB 0.884 19.779 19.000 -0.176 0.000 1.312 1234 A HN 0.642 nan 8.150 nan 0.000 0.414 1235 Y N -0.345 119.665 120.300 -0.484 0.000 2.492 1235 Y HA 0.599 5.151 4.550 0.004 0.000 0.346 1235 Y C -0.006 175.353 175.900 -0.901 0.000 0.997 1235 Y CA -0.469 57.313 58.100 -0.530 0.000 1.025 1235 Y CB 2.309 40.558 38.460 -0.352 0.000 1.263 1235 Y HN 0.773 nan 8.280 nan 0.000 0.454 1236 Q N 2.943 122.272 119.800 -0.785 0.000 2.312 1236 Q HA 0.687 5.029 4.340 0.004 0.000 0.263 1236 Q C -1.577 174.046 176.000 -0.628 0.000 0.995 1236 Q CA -0.657 54.664 55.803 -0.803 0.000 0.853 1236 Q CB 1.363 29.732 28.738 -0.616 0.000 1.300 1236 Q HN 0.741 nan 8.270 nan 0.000 0.448 1237 I N 3.816 124.252 120.570 -0.224 0.000 2.354 1237 I HA 0.306 4.479 4.170 0.004 0.000 0.286 1237 I C -1.052 175.170 176.117 0.175 0.000 1.007 1237 I CA -0.737 60.558 61.300 -0.008 0.000 1.167 1237 I CB 1.416 39.478 38.000 0.104 0.000 1.320 1237 I HN 0.462 nan 8.210 nan 0.000 0.458 1238 D N 7.135 127.675 120.400 0.233 0.000 2.344 1238 D HA 0.349 4.992 4.640 0.004 0.000 0.239 1238 D C 0.028 176.389 176.300 0.101 0.000 1.064 1238 D CA -0.287 53.851 54.000 0.230 0.000 0.829 1238 D CB 1.330 42.438 40.800 0.514 0.000 1.129 1238 D HN 0.370 nan 8.370 nan 0.000 0.506 1239 F N 1.481 121.229 119.950 -0.338 0.000 3.067 1239 F HA -0.204 4.325 4.527 0.004 0.000 0.279 1239 F C 1.585 177.287 175.800 -0.163 0.000 0.945 1239 F CA 0.679 58.460 58.000 -0.365 0.000 0.948 1239 F CB -2.029 36.900 39.000 -0.120 0.000 0.898 1239 F HN 0.718 nan 8.300 nan 0.000 0.746 1240 G N -0.956 107.828 108.800 -0.025 0.000 2.189 1240 G HA2 -0.359 3.604 3.960 0.004 0.000 0.267 1240 G HA3 -0.359 3.604 3.960 0.004 0.000 0.267 1240 G C 0.164 175.105 174.900 0.067 0.000 0.975 1240 G CA 0.299 45.430 45.100 0.051 0.000 0.644 1240 G HN 0.538 nan 8.290 nan 0.000 0.537 1241 N N 1.043 119.821 118.700 0.131 0.000 2.419 1241 N HA 0.567 5.309 4.740 0.004 0.000 0.277 1241 N C 0.386 175.990 175.510 0.156 0.000 1.006 1241 N CA 0.569 53.708 53.050 0.148 0.000 0.923 1241 N CB 1.623 40.238 38.487 0.214 0.000 1.140 1241 N HN 0.453 nan 8.380 nan 0.000 0.488 1242 G N 0.892 109.740 108.800 0.081 0.000 2.417 1242 G HA2 0.644 4.606 3.960 0.004 0.000 0.334 1242 G HA3 0.644 4.606 3.960 0.004 0.000 0.334 1242 G C -1.402 173.563 174.900 0.108 0.000 1.150 1242 G CA -0.374 44.711 45.100 -0.025 0.000 0.923 1242 G HN 0.528 nan 8.290 nan 0.000 0.485 1243 Y N -1.543 118.819 120.300 0.103 0.000 2.581 1243 Y HA 0.751 5.304 4.550 0.004 0.000 0.337 1243 Y C -0.031 175.954 175.900 0.141 0.000 1.108 1243 Y CA -1.905 56.268 58.100 0.121 0.000 1.033 1243 Y CB 0.853 39.374 38.460 0.102 0.000 1.318 1243 Y HN 0.828 nan 8.280 nan 0.000 0.459 1244 A N 1.145 124.151 122.820 0.310 0.000 2.440 1244 A HA 0.462 4.785 4.320 0.004 0.000 0.251 1244 A C 0.981 178.590 177.584 0.041 0.000 1.089 1244 A CA 0.409 52.465 52.037 0.031 0.000 0.779 1244 A CB 0.039 19.051 19.000 0.019 0.000 1.022 1244 A HN 1.171 nan 8.150 nan 0.000 0.492 1245 T N -0.757 113.708 114.554 -0.148 0.000 3.056 1245 T HA 0.424 4.777 4.350 0.004 0.000 0.241 1245 T C 0.404 175.093 174.700 -0.019 0.000 1.006 1245 T CA 0.845 62.941 62.100 -0.007 0.000 1.115 1245 T CB 0.002 68.864 68.868 -0.010 0.000 0.939 1245 T HN 0.692 nan 8.240 nan 0.000 0.462 1246 E N -0.949 119.189 120.200 -0.103 0.000 2.398 1246 E HA 0.592 4.944 4.350 0.004 0.000 0.280 1246 E C -2.293 174.247 176.600 -0.101 0.000 1.122 1246 E CA -0.622 55.742 56.400 -0.059 0.000 0.873 1246 E CB 2.025 31.726 29.700 0.001 0.000 1.294 1246 E HN 0.131 nan 8.360 nan 0.000 0.435 1247 V N 1.449 121.331 119.914 -0.053 0.000 2.638 1247 V HA 0.681 4.804 4.120 0.004 0.000 0.306 1247 V C -0.901 175.195 176.094 0.003 0.000 1.052 1247 V CA -0.807 61.467 62.300 -0.044 0.000 0.885 1247 V CB 1.851 33.651 31.823 -0.038 0.000 0.999 1247 V HN 0.486 nan 8.190 nan 0.000 0.424 1248 V N 4.899 124.830 119.914 0.028 0.000 2.531 1248 V HA 0.557 4.679 4.120 0.004 0.000 0.301 1248 V C -0.346 175.783 176.094 0.058 0.000 1.034 1248 V CA -0.611 61.734 62.300 0.075 0.000 0.865 1248 V CB 2.104 34.034 31.823 0.178 0.000 0.995 1248 V HN 0.621 nan 8.190 nan 0.000 0.424 1249 V N 4.820 124.735 119.914 0.003 0.000 2.547 1249 V HA 0.586 4.708 4.120 0.004 0.000 0.299 1249 V C -0.202 175.794 176.094 -0.163 0.000 1.040 1249 V CA -0.512 61.743 62.300 -0.075 0.000 0.913 1249 V CB 1.916 33.710 31.823 -0.048 0.000 0.992 1249 V HN 1.011 nan 8.190 nan 0.000 0.449 1250 N N 2.176 120.624 118.700 -0.419 0.000 2.697 1250 N HA 0.540 5.282 4.740 0.004 0.000 0.272 1250 N C -1.270 173.971 175.510 -0.447 0.000 1.381 1250 N CA -0.842 51.932 53.050 -0.460 0.000 0.797 1250 N CB 1.703 39.838 38.487 -0.586 0.000 1.523 1250 N HN 0.748 nan 8.380 nan 0.000 0.518 1251 N N -0.535 118.065 118.700 -0.167 0.000 2.249 1251 N HA 0.493 5.236 4.740 0.004 0.000 0.296 1251 N C -1.953 173.649 175.510 0.153 0.000 1.051 1251 N CA -0.545 52.510 53.050 0.009 0.000 0.815 1251 N CB 1.577 40.073 38.487 0.016 0.000 1.487 1251 N HN 0.167 nan 8.380 nan 0.000 0.475 1252 V N 4.475 124.540 119.914 0.253 0.000 2.370 1252 V HA 0.487 4.610 4.120 0.004 0.000 0.279 1252 V C -1.972 174.153 176.094 0.051 0.000 1.029 1252 V CA -1.543 60.887 62.300 0.217 0.000 0.870 1252 V CB 1.120 33.128 31.823 0.310 0.000 0.984 1252 V HN 0.693 nan 8.190 nan 0.000 0.451 1253 P HA 0.190 nan 4.420 nan 0.000 0.275 1253 P C -0.676 176.583 177.300 -0.068 0.000 1.228 1253 P CA -0.511 62.582 63.100 -0.012 0.000 0.786 1253 P CB 0.728 32.428 31.700 0.000 0.000 0.927 1254 K N 3.072 123.416 120.400 -0.093 0.000 2.258 1254 K HA 0.283 4.606 4.320 0.004 0.000 0.284 1254 K C -0.495 175.999 176.600 -0.177 0.000 1.051 1254 K CA -0.479 55.732 56.287 -0.127 0.000 0.923 1254 K CB 0.216 32.652 32.500 -0.107 0.000 1.046 1254 K HN 0.336 nan 8.250 nan 0.000 0.474 1255 I N 4.488 124.867 120.570 -0.318 0.000 2.312 1255 I HA 0.155 4.327 4.170 0.004 0.000 0.290 1255 I C -0.355 175.513 176.117 -0.415 0.000 1.008 1255 I CA -0.336 60.649 61.300 -0.526 0.000 1.226 1255 I CB 1.175 38.442 38.000 -1.222 0.000 1.371 1255 I HN 0.587 nan 8.210 nan 0.000 0.468 1256 T N 7.314 121.729 114.554 -0.232 0.000 3.141 1256 T HA 0.334 4.686 4.350 0.004 0.000 0.377 1256 T C -2.395 172.261 174.700 -0.074 0.000 1.258 1256 T CA -1.102 60.925 62.100 -0.121 0.000 1.263 1256 T CB 1.149 69.975 68.868 -0.070 0.000 1.066 1256 T HN 0.299 nan 8.240 nan 0.000 0.546 1257 P HA 0.521 nan 4.420 nan 0.000 0.274 1257 P C -0.377 176.962 177.300 0.065 0.000 1.231 1257 P CA -0.627 62.474 63.100 0.002 0.000 0.790 1257 P CB 0.798 32.397 31.700 -0.168 0.000 0.951 1258 K N 0.981 121.499 120.400 0.197 0.000 2.426 1258 K HA 0.564 4.886 4.320 0.004 0.000 0.251 1258 K C -1.226 175.525 176.600 0.252 0.000 0.941 1258 K CA -0.801 55.584 56.287 0.163 0.000 0.808 1258 K CB 1.801 34.363 32.500 0.103 0.000 1.265 1258 K HN 0.283 nan 8.250 nan 0.000 0.432 1259 K N 2.570 123.078 120.400 0.181 0.000 2.426 1259 K HA 0.410 4.732 4.320 0.004 0.000 0.254 1259 K C -1.349 175.312 176.600 0.102 0.000 0.936 1259 K CA -0.606 55.775 56.287 0.157 0.000 0.801 1259 K CB 1.133 33.742 32.500 0.182 0.000 1.139 1259 K HN 0.668 nan 8.250 nan 0.000 0.424 1260 D N 1.492 121.946 120.400 0.090 0.000 2.450 1260 D HA 0.417 5.060 4.640 0.004 0.000 0.238 1260 D C -1.034 175.383 176.300 0.194 0.000 1.020 1260 D CA -0.485 53.579 54.000 0.107 0.000 1.010 1260 D CB 2.157 42.997 40.800 0.066 0.000 1.342 1260 D HN 0.168 nan 8.370 nan 0.000 0.530 1261 V N 0.473 120.503 119.914 0.194 0.000 2.487 1261 V HA 0.685 4.807 4.120 0.004 0.000 0.298 1261 V C 0.223 176.417 176.094 0.167 0.000 1.028 1261 V CA -0.556 61.888 62.300 0.240 0.000 0.860 1261 V CB 1.436 33.365 31.823 0.176 0.000 0.991 1261 V HN 0.818 nan 8.190 nan 0.000 0.427 1262 T N 0.517 115.196 114.554 0.209 0.000 2.865 1262 T HA 0.624 4.977 4.350 0.004 0.000 0.294 1262 T C -0.045 174.763 174.700 0.180 0.000 1.119 1262 T CA -0.140 62.066 62.100 0.177 0.000 1.007 1262 T CB 1.962 70.961 68.868 0.220 0.000 1.225 1262 T HN 0.877 nan 8.240 nan 0.000 0.515 1263 V N -1.143 118.845 119.914 0.124 0.000 3.006 1263 V HA 0.651 4.774 4.120 0.004 0.000 0.357 1263 V C 0.204 176.334 176.094 0.061 0.000 1.377 1263 V CA 0.034 62.396 62.300 0.104 0.000 1.198 1263 V CB -0.719 31.151 31.823 0.078 0.000 1.216 1263 V HN 1.053 nan 8.190 nan 0.000 0.520 1264 S N -0.348 115.390 115.700 0.063 0.000 2.570 1264 S HA 0.652 5.125 4.470 0.004 0.000 0.270 1264 S C -0.060 174.492 174.600 -0.079 0.000 1.149 1264 S CA -0.604 57.590 58.200 -0.010 0.000 0.837 1264 S CB 2.084 65.276 63.200 -0.013 0.000 1.124 1264 S HN 0.209 nan 8.310 nan 0.000 0.465 1265 L N 1.263 122.337 121.223 -0.249 0.000 2.529 1265 L HA 0.267 4.610 4.340 0.004 0.000 0.223 1265 L C 0.599 177.171 176.870 -0.496 0.000 1.113 1265 L CA 0.124 54.590 54.840 -0.625 0.000 0.861 1265 L CB -0.107 41.616 42.059 -0.560 0.000 1.012 1265 L HN 0.640 nan 8.230 nan 0.000 0.461 1266 D N 1.528 121.785 120.400 -0.239 0.000 2.434 1266 D HA 0.007 4.649 4.640 0.004 0.000 0.252 1266 D C -1.601 174.657 176.300 -0.070 0.000 1.185 1266 D CA -1.518 52.387 54.000 -0.158 0.000 0.886 1266 D CB 1.643 42.390 40.800 -0.088 0.000 1.148 1266 D HN -0.063 nan 8.370 nan 0.000 0.483 1267 P HA -0.092 nan 4.420 nan 0.000 0.225 1267 P C 1.092 178.412 177.300 0.034 0.000 1.148 1267 P CA 1.132 64.253 63.100 0.035 0.000 0.779 1267 P CB 0.021 31.723 31.700 0.004 0.000 0.780 1268 T N -4.345 110.212 114.554 0.005 0.000 3.113 1268 T HA 0.059 4.411 4.350 0.004 0.000 0.256 1268 T C 0.894 175.605 174.700 0.019 0.000 1.131 1268 T CA -0.117 61.989 62.100 0.011 0.000 1.074 1268 T CB -0.836 68.031 68.868 -0.002 0.000 0.944 1268 T HN 0.146 nan 8.240 nan 0.000 0.516 1269 S N 0.792 116.507 115.700 0.026 0.000 2.593 1269 S HA 0.212 4.684 4.470 0.004 0.000 0.269 1269 S C 0.065 174.692 174.600 0.045 0.000 1.334 1269 S CA -0.898 57.321 58.200 0.031 0.000 1.015 1269 S CB 0.778 63.997 63.200 0.032 0.000 0.912 1269 S HN 0.603 nan 8.310 nan 0.000 0.541 1270 E N 0.891 121.114 120.200 0.037 0.000 2.414 1270 E HA -0.047 4.305 4.350 0.004 0.000 0.263 1270 E C -0.316 176.314 176.600 0.049 0.000 1.000 1270 E CA -0.289 56.132 56.400 0.036 0.000 0.914 1270 E CB 0.353 30.069 29.700 0.026 0.000 0.948 1270 E HN 0.609 nan 8.360 nan 0.000 0.444 1271 N N 4.363 123.091 118.700 0.047 0.000 2.430 1271 N HA 0.054 4.796 4.740 0.004 0.000 0.265 1271 N C 0.158 175.693 175.510 0.041 0.000 1.100 1271 N CA 0.012 53.095 53.050 0.055 0.000 0.961 1271 N CB 0.673 39.191 38.487 0.052 0.000 1.075 1271 N HN 0.553 nan 8.380 nan 0.000 0.478 1272 L N 0.987 122.235 121.223 0.041 0.000 2.611 1272 L HA 0.168 4.511 4.340 0.004 0.000 0.229 1272 L C 0.441 177.318 176.870 0.012 0.000 1.137 1272 L CA -0.271 54.576 54.840 0.012 0.000 0.901 1272 L CB -0.421 41.625 42.059 -0.022 0.000 1.098 1272 L HN 0.462 nan 8.230 nan 0.000 0.456 1273 D N 1.375 121.801 120.400 0.043 0.000 2.531 1273 D HA 0.122 4.765 4.640 0.004 0.000 0.239 1273 D C 1.339 177.655 176.300 0.026 0.000 1.144 1273 D CA 1.515 55.544 54.000 0.049 0.000 0.869 1273 D CB 0.835 41.672 40.800 0.062 0.000 1.160 1273 D HN 0.328 nan 8.370 nan 0.000 0.484 1274 G N 2.812 111.624 108.800 0.020 0.000 2.179 1274 G HA2 -0.262 3.701 3.960 0.004 0.000 0.260 1274 G HA3 -0.262 3.701 3.960 0.004 0.000 0.260 1274 G C 0.458 175.356 174.900 -0.004 0.000 0.977 1274 G CA 0.639 45.743 45.100 0.008 0.000 0.641 1274 G HN 0.597 nan 8.290 nan 0.000 0.533 1275 Q N -0.508 119.285 119.800 -0.012 0.000 2.934 1275 Q HA 0.678 5.020 4.340 0.004 0.000 0.219 1275 Q C 0.371 176.348 176.000 -0.039 0.000 1.024 1275 Q CA -0.144 55.645 55.803 -0.023 0.000 0.928 1275 Q CB 0.904 29.629 28.738 -0.021 0.000 1.594 1275 Q HN 0.480 nan 8.270 nan 0.000 0.485 1276 T N -1.861 112.666 114.554 -0.044 0.000 2.902 1276 T HA 0.648 5.001 4.350 0.004 0.000 0.283 1276 T C -0.435 174.214 174.700 -0.085 0.000 1.009 1276 T CA -0.652 61.416 62.100 -0.053 0.000 1.051 1276 T CB 1.066 69.913 68.868 -0.035 0.000 0.999 1276 T HN 0.235 nan 8.240 nan 0.000 0.474 1277 V N 2.987 122.838 119.914 -0.105 0.000 2.588 1277 V HA 0.396 4.518 4.120 0.004 0.000 0.304 1277 V C -0.256 175.797 176.094 -0.068 0.000 1.042 1277 V CA -1.016 61.199 62.300 -0.141 0.000 0.877 1277 V CB 1.915 33.541 31.823 -0.329 0.000 0.996 1277 V HN 0.880 nan 8.190 nan 0.000 0.425 1278 Q N 2.089 121.867 119.800 -0.038 0.000 2.354 1278 Q HA 0.356 4.698 4.340 0.004 0.000 0.244 1278 Q C -0.275 175.699 176.000 -0.044 0.000 0.969 1278 Q CA -0.775 55.012 55.803 -0.027 0.000 0.885 1278 Q CB 1.454 30.190 28.738 -0.003 0.000 1.241 1278 Q HN 0.602 nan 8.270 nan 0.000 0.461 1279 L N 2.948 124.108 121.223 -0.106 0.000 2.540 1279 L HA -0.107 4.235 4.340 0.004 0.000 0.276 1279 L C -0.402 176.330 176.870 -0.230 0.000 1.212 1279 L CA 0.937 55.603 54.840 -0.290 0.000 0.893 1279 L CB -0.571 41.224 42.059 -0.440 0.000 1.138 1279 L HN 0.581 nan 8.230 nan 0.000 0.491 1280 Y N 1.040 121.366 120.300 0.044 0.000 4.907 1280 Y HA -0.285 4.268 4.550 0.004 0.000 0.246 1280 Y C 0.916 176.839 175.900 0.038 0.000 0.968 1280 Y CA 1.041 59.159 58.100 0.030 0.000 1.961 1280 Y CB -2.259 36.211 38.460 0.016 0.000 1.487 1280 Y HN 0.751 nan 8.280 nan 0.000 0.575 1281 Q N 1.778 121.668 119.800 0.150 0.000 2.352 1281 Q HA 0.362 4.705 4.340 0.004 0.000 0.260 1281 Q C 0.658 176.766 176.000 0.181 0.000 0.976 1281 Q CA 0.444 56.330 55.803 0.138 0.000 0.881 1281 Q CB 0.878 29.680 28.738 0.108 0.000 1.235 1281 Q HN 0.422 nan 8.270 nan 0.000 0.419 1282 T N 1.236 115.859 114.554 0.116 0.000 2.913 1282 T HA 0.637 4.990 4.350 0.004 0.000 0.287 1282 T C -0.335 174.449 174.700 0.138 0.000 1.008 1282 T CA -0.620 61.506 62.100 0.044 0.000 1.067 1282 T CB 0.551 69.395 68.868 -0.041 0.000 0.996 1282 T HN 0.516 nan 8.240 nan 0.000 0.513 1283 F N -1.113 118.785 119.950 -0.086 0.000 2.779 1283 F HA 0.667 5.196 4.527 0.004 0.000 0.316 1283 F C -1.521 174.214 175.800 -0.109 0.000 1.164 1283 F CA -1.457 56.487 58.000 -0.092 0.000 0.924 1283 F CB 1.048 39.974 39.000 -0.123 0.000 1.348 1283 F HN 0.445 nan 8.300 nan 0.000 0.467 1284 N N 0.325 119.071 118.700 0.078 0.000 2.361 1284 N HA 0.289 5.031 4.740 0.004 0.000 0.302 1284 N C -1.923 173.652 175.510 0.110 0.000 1.074 1284 N CA -0.480 52.581 53.050 0.018 0.000 0.850 1284 N CB 1.614 40.259 38.487 0.263 0.000 1.228 1284 N HN 0.515 nan 8.380 nan 0.000 0.491 1285 Y N 0.819 121.165 120.300 0.077 0.000 2.350 1285 Y HA 0.219 4.771 4.550 0.004 0.000 0.340 1285 Y C 1.011 176.858 175.900 -0.089 0.000 1.006 1285 Y CA -0.483 57.657 58.100 0.066 0.000 1.166 1285 Y CB 0.586 39.069 38.460 0.038 0.000 1.168 1285 Y HN 0.203 nan 8.280 nan 0.000 0.502 1286 R N 5.378 125.888 120.500 0.018 0.000 2.198 1286 R HA 0.448 4.790 4.340 0.004 0.000 0.339 1286 R C -1.588 174.554 176.300 -0.264 0.000 1.020 1286 R CA -0.409 55.471 56.100 -0.367 0.000 0.864 1286 R CB 0.089 30.106 30.300 -0.472 0.000 1.105 1286 R HN 0.734 nan 8.270 nan 0.000 0.463 1287 L N 7.378 128.368 121.223 -0.388 0.000 2.272 1287 L HA 0.415 4.757 4.340 0.004 0.000 0.284 1287 L C -0.186 176.589 176.870 -0.159 0.000 1.045 1287 L CA -0.567 53.970 54.840 -0.504 0.000 0.842 1287 L CB 1.105 42.540 42.059 -1.039 0.000 1.224 1287 L HN 0.543 nan 8.230 nan 0.000 0.430 1288 I N 2.712 123.340 120.570 0.098 0.000 2.312 1288 I HA 0.287 4.460 4.170 0.004 0.000 0.291 1288 I C 1.238 177.589 176.117 0.390 0.000 1.031 1288 I CA -0.208 61.222 61.300 0.216 0.000 1.293 1288 I CB 1.290 39.368 38.000 0.131 0.000 1.403 1288 I HN 0.588 nan 8.210 nan 0.000 0.484 1289 G N 4.183 113.277 108.800 0.491 0.000 2.667 1289 G HA2 0.367 4.329 3.960 0.004 0.000 0.250 1289 G HA3 0.367 4.329 3.960 0.004 0.000 0.250 1289 G C 0.418 175.428 174.900 0.184 0.000 1.212 1289 G CA -0.334 44.978 45.100 0.353 0.000 0.874 1289 G HN 0.759 nan 8.290 nan 0.000 0.561 1290 G N -1.377 107.429 108.800 0.011 0.000 2.569 1290 G HA2 0.408 4.371 3.960 0.004 0.000 0.249 1290 G HA3 0.408 4.371 3.960 0.004 0.000 0.249 1290 G C -0.357 174.578 174.900 0.059 0.000 1.216 1290 G CA -0.667 44.402 45.100 -0.051 0.000 0.845 1290 G HN 0.663 nan 8.290 nan 0.000 0.568 1291 L N 1.851 123.075 121.223 0.001 0.000 2.260 1291 L HA 0.358 4.700 4.340 0.004 0.000 0.289 1291 L C -0.383 176.498 176.870 0.019 0.000 1.057 1291 L CA -1.004 53.848 54.840 0.019 0.000 0.811 1291 L CB 0.580 42.639 42.059 0.000 0.000 1.184 1291 L HN 0.208 nan 8.230 nan 0.000 0.429 1292 I N 7.547 128.153 120.570 0.060 0.000 2.352 1292 I HA 0.319 4.491 4.170 0.004 0.000 0.290 1292 I C -1.960 174.184 176.117 0.045 0.000 1.036 1292 I CA -2.493 58.823 61.300 0.027 0.000 1.336 1292 I CB 0.471 38.470 38.000 -0.002 0.000 1.407 1292 I HN 0.423 nan 8.210 nan 0.000 0.497 1293 P HA 0.159 nan 4.420 nan 0.000 0.276 1293 P C -0.619 176.814 177.300 0.221 0.000 1.252 1293 P CA -0.565 62.600 63.100 0.107 0.000 0.802 1293 P CB 0.710 32.459 31.700 0.082 0.000 1.035 1294 Q N 0.618 120.516 119.800 0.163 0.000 2.584 1294 Q HA 0.014 4.357 4.340 0.004 0.000 0.235 1294 Q C 0.036 176.092 176.000 0.093 0.000 1.079 1294 Q CA -0.315 55.575 55.803 0.144 0.000 0.977 1294 Q CB -0.309 28.468 28.738 0.065 0.000 1.293 1294 Q HN 0.375 nan 8.270 nan 0.000 0.553 1295 N N 0.184 118.867 118.700 -0.028 0.000 2.758 1295 N HA -0.180 4.563 4.740 0.004 0.000 0.248 1295 N C -1.204 174.296 175.510 -0.016 0.000 1.076 1295 N CA 1.152 54.169 53.050 -0.055 0.000 0.696 1295 N CB -1.356 37.126 38.487 -0.008 0.000 0.979 1295 N HN 0.861 nan 8.380 nan 0.000 0.550 1296 H N -2.099 116.983 119.070 0.021 0.000 2.505 1296 H HA 0.478 5.036 4.556 0.004 0.000 0.355 1296 H C 1.242 176.585 175.328 0.025 0.000 1.179 1296 H CA 0.091 56.157 56.048 0.030 0.000 1.343 1296 H CB 1.008 30.793 29.762 0.038 0.000 1.501 1296 H HN 0.210 nan 8.280 nan 0.000 0.569 1297 S N 0.241 116.037 115.700 0.159 0.000 2.501 1297 S HA -0.003 4.469 4.470 0.004 0.000 0.220 1297 S C 0.420 175.072 174.600 0.087 0.000 0.997 1297 S CA 0.310 58.561 58.200 0.085 0.000 0.919 1297 S CB -0.235 63.021 63.200 0.093 0.000 0.778 1297 S HN 0.842 nan 8.310 nan 0.000 0.523 1298 E N -0.543 119.748 120.200 0.153 0.000 2.454 1298 E HA 0.389 4.741 4.350 0.004 0.000 0.279 1298 E C -1.570 175.123 176.600 0.155 0.000 1.029 1298 E CA -1.126 55.344 56.400 0.118 0.000 0.831 1298 E CB 0.366 30.127 29.700 0.101 0.000 1.405 1298 E HN -0.104 nan 8.360 nan 0.000 0.463 1299 E N 0.934 121.183 120.200 0.081 0.000 2.437 1299 E HA 0.111 4.463 4.350 0.004 0.000 0.263 1299 E C -0.211 176.411 176.600 0.037 0.000 1.030 1299 E CA 0.199 56.630 56.400 0.053 0.000 0.934 1299 E CB 0.502 30.210 29.700 0.014 0.000 0.943 1299 E HN 0.320 nan 8.360 nan 0.000 0.444 1300 L N 3.171 124.383 121.223 -0.018 0.000 2.290 1300 L HA 0.122 4.465 4.340 0.004 0.000 0.284 1300 L C 1.409 178.257 176.870 -0.036 0.000 1.078 1300 L CA -0.112 54.691 54.840 -0.061 0.000 0.815 1300 L CB 0.576 42.516 42.059 -0.199 0.000 1.162 1300 L HN 0.408 nan 8.230 nan 0.000 0.435 1301 E N 1.346 121.553 120.200 0.012 0.000 2.453 1301 E HA 0.089 4.442 4.350 0.004 0.000 0.211 1301 E C -0.551 176.090 176.600 0.069 0.000 0.897 1301 E CA 0.250 56.671 56.400 0.034 0.000 1.063 1301 E CB 1.128 30.850 29.700 0.038 0.000 1.080 1301 E HN 0.677 nan 8.360 nan 0.000 0.512 1302 D N -0.604 119.851 120.400 0.091 0.000 2.990 1302 D HA 0.226 4.869 4.640 0.004 0.000 0.227 1302 D C -1.838 174.584 176.300 0.203 0.000 1.249 1302 D CA -0.647 53.433 54.000 0.133 0.000 0.891 1302 D CB 1.175 42.026 40.800 0.085 0.000 1.647 1302 D HN -0.120 nan 8.370 nan 0.000 0.530 1303 Y N 3.177 123.547 120.300 0.116 0.000 2.294 1303 Y HA 0.426 4.978 4.550 0.003 0.000 0.329 1303 Y C -1.399 174.581 175.900 0.134 0.000 1.135 1303 Y CA -0.394 57.777 58.100 0.118 0.000 1.213 1303 Y CB 1.107 39.673 38.460 0.177 0.000 1.141 1303 Y HN 0.488 nan 8.280 nan 0.000 0.446 1304 S N 4.108 119.761 115.700 -0.079 0.000 2.599 1304 S HA 0.767 5.240 4.470 0.004 0.000 0.287 1304 S C -1.510 172.964 174.600 -0.211 0.000 1.105 1304 S CA -0.648 57.538 58.200 -0.023 0.000 0.899 1304 S CB 1.487 64.731 63.200 0.073 0.000 1.100 1304 S HN 0.381 nan 8.310 nan 0.000 0.482 1305 F N 1.091 121.120 119.950 0.132 0.000 2.434 1305 F HA 0.546 5.075 4.527 0.003 0.000 0.355 1305 F C -0.567 175.299 175.800 0.110 0.000 1.115 1305 F CA -0.953 57.155 58.000 0.179 0.000 1.010 1305 F CB 1.946 40.927 39.000 -0.032 0.000 1.234 1305 F HN 0.353 nan 8.300 nan 0.000 0.439 1306 V N 2.561 122.671 119.914 0.327 0.000 2.347 1306 V HA 0.302 4.424 4.120 0.004 0.000 0.280 1306 V C -0.770 175.444 176.094 0.200 0.000 1.021 1306 V CA -0.501 61.900 62.300 0.169 0.000 0.847 1306 V CB 1.465 33.338 31.823 0.083 0.000 0.990 1306 V HN 0.608 nan 8.190 nan 0.000 0.444 1307 D N 3.651 124.130 120.400 0.132 0.000 2.454 1307 D HA 0.161 4.804 4.640 0.004 0.000 0.247 1307 D C -0.899 175.474 176.300 0.121 0.000 1.129 1307 D CA -0.331 53.760 54.000 0.152 0.000 0.877 1307 D CB 1.524 42.400 40.800 0.127 0.000 1.082 1307 D HN 0.533 nan 8.370 nan 0.000 0.537 1308 D N 3.967 124.396 120.400 0.047 0.000 2.453 1308 D HA 0.049 4.692 4.640 0.004 0.000 0.223 1308 D C -0.301 175.976 176.300 -0.038 0.000 1.183 1308 D CA -0.281 53.677 54.000 -0.069 0.000 0.933 1308 D CB -0.368 40.395 40.800 -0.062 0.000 1.038 1308 D HN 0.350 nan 8.370 nan 0.000 0.513 1309 Y N 0.277 120.591 120.300 0.023 0.000 2.334 1309 Y HA 0.457 5.010 4.550 0.004 0.000 0.325 1309 Y C 0.338 176.283 175.900 0.074 0.000 1.308 1309 Y CA -1.391 56.741 58.100 0.054 0.000 1.389 1309 Y CB 0.412 38.942 38.460 0.117 0.000 1.328 1309 Y HN 0.009 nan 8.280 nan 0.000 0.532 1310 D N 1.941 122.515 120.400 0.291 0.000 2.422 1310 D HA 0.008 4.651 4.640 0.004 0.000 0.227 1310 D C 0.729 177.149 176.300 0.201 0.000 1.190 1310 D CA -0.403 53.711 54.000 0.190 0.000 0.905 1310 D CB 0.740 41.694 40.800 0.257 0.000 1.034 1310 D HN 0.738 nan 8.370 nan 0.000 0.507 1311 Q N 2.954 122.823 119.800 0.114 0.000 2.500 1311 Q HA -0.091 4.251 4.340 0.004 0.000 0.213 1311 Q C 1.138 177.177 176.000 0.064 0.000 0.974 1311 Q CA 0.646 56.537 55.803 0.147 0.000 0.918 1311 Q CB -0.224 28.558 28.738 0.073 0.000 0.980 1311 Q HN 0.404 nan 8.270 nan 0.000 0.505 1312 A N 0.890 123.738 122.820 0.047 0.000 2.066 1312 A HA 0.136 4.459 4.320 0.004 0.000 0.218 1312 A C 2.034 179.512 177.584 -0.176 0.000 1.157 1312 A CA 1.271 53.330 52.037 0.037 0.000 0.670 1312 A CB -0.363 18.737 19.000 0.167 0.000 0.804 1312 A HN 0.548 nan 8.150 nan 0.000 0.453 1313 G N -1.918 106.540 108.800 -0.570 0.000 2.727 1313 G HA2 0.305 4.267 3.960 0.004 0.000 0.207 1313 G HA3 0.305 4.267 3.960 0.004 0.000 0.207 1313 G C -0.378 174.163 174.900 -0.598 0.000 1.060 1313 G CA 0.103 44.349 45.100 -1.424 0.000 0.814 1313 G HN 0.306 nan 8.290 nan 0.000 0.576 1314 D N 0.029 120.314 120.400 -0.192 0.000 2.481 1314 D HA 0.452 5.095 4.640 0.004 0.000 0.244 1314 D C -0.849 175.492 176.300 0.068 0.000 1.057 1314 D CA -0.219 53.790 54.000 0.017 0.000 0.848 1314 D CB 2.312 43.225 40.800 0.189 0.000 1.388 1314 D HN 0.133 nan 8.370 nan 0.000 0.475 1315 Q N 1.696 121.482 119.800 -0.022 0.000 2.330 1315 Q HA 0.227 4.569 4.340 0.004 0.000 0.269 1315 Q C -1.441 174.479 176.000 -0.133 0.000 1.022 1315 Q CA -0.875 54.926 55.803 -0.003 0.000 0.796 1315 Q CB 1.598 30.346 28.738 0.017 0.000 1.271 1315 Q HN 0.449 nan 8.270 nan 0.000 0.450 1316 Y N 2.919 123.040 120.300 -0.299 0.000 2.377 1316 Y HA 0.083 4.636 4.550 0.004 0.000 0.330 1316 Y C 0.996 176.807 175.900 -0.149 0.000 1.108 1316 Y CA 0.718 58.628 58.100 -0.316 0.000 1.308 1316 Y CB 1.256 39.556 38.460 -0.267 0.000 1.216 1316 Y HN 0.762 nan 8.280 nan 0.000 0.518 1317 T N 1.061 115.237 114.554 -0.629 0.000 3.100 1317 T HA 0.227 4.580 4.350 0.004 0.000 0.253 1317 T C 1.367 175.651 174.700 -0.693 0.000 1.118 1317 T CA 0.493 62.280 62.100 -0.521 0.000 1.058 1317 T CB -0.489 68.173 68.868 -0.343 0.000 0.953 1317 T HN 1.398 nan 8.240 nan 0.000 0.515 1318 G N 1.319 109.248 108.800 -1.452 0.000 2.175 1318 G HA2 -0.207 3.756 3.960 0.004 0.000 0.244 1318 G HA3 -0.207 3.756 3.960 0.004 0.000 0.244 1318 G C -0.216 174.455 174.900 -0.380 0.000 0.982 1318 G CA -0.195 44.403 45.100 -0.835 0.000 0.641 1318 G HN 0.616 nan 8.290 nan 0.000 0.527 1319 N N 0.056 118.533 118.700 -0.372 0.000 2.342 1319 N HA 0.698 5.440 4.740 0.004 0.000 0.293 1319 N C -0.569 175.051 175.510 0.182 0.000 1.026 1319 N CA -0.070 52.937 53.050 -0.071 0.000 0.857 1319 N CB 1.738 40.151 38.487 -0.124 0.000 1.256 1319 N HN 0.649 nan 8.380 nan 0.000 0.484 1320 Y N -1.056 119.260 120.300 0.027 0.000 2.625 1320 Y HA 0.643 5.195 4.550 0.004 0.000 0.338 1320 Y C -1.463 174.399 175.900 -0.064 0.000 1.123 1320 Y CA -1.047 57.069 58.100 0.025 0.000 1.046 1320 Y CB 1.485 39.965 38.460 0.033 0.000 1.299 1320 Y HN 0.006 nan 8.280 nan 0.000 0.464 1321 K N 1.309 121.699 120.400 -0.016 0.000 2.469 1321 K HA 0.615 4.937 4.320 0.004 0.000 0.254 1321 K C -1.543 174.929 176.600 -0.212 0.000 0.939 1321 K CA -0.796 55.310 56.287 -0.302 0.000 0.812 1321 K CB 2.416 34.746 32.500 -0.284 0.000 1.301 1321 K HN 0.935 nan 8.250 nan 0.000 0.433 1322 T N 2.175 116.427 114.554 -0.503 0.000 2.841 1322 T HA 0.690 5.042 4.350 0.004 0.000 0.283 1322 T C -0.859 173.495 174.700 -0.576 0.000 1.000 1322 T CA -0.466 61.437 62.100 -0.328 0.000 0.977 1322 T CB 0.481 69.231 68.868 -0.197 0.000 0.979 1322 T HN 0.246 nan 8.240 nan 0.000 0.446 1323 F N 0.547 120.582 119.950 0.140 0.000 2.588 1323 F HA 0.591 5.121 4.527 0.005 0.000 0.314 1323 F C 0.765 176.657 175.800 0.152 0.000 1.069 1323 F CA -1.064 57.015 58.000 0.131 0.000 0.931 1323 F CB 1.799 40.874 39.000 0.124 0.000 1.260 1323 F HN 0.422 nan 8.300 nan 0.000 0.465 1324 S N 0.266 116.147 115.700 0.302 0.000 2.562 1324 S HA 0.138 4.610 4.470 0.004 0.000 0.281 1324 S C 0.812 175.493 174.600 0.135 0.000 1.333 1324 S CA -0.277 58.020 58.200 0.162 0.000 1.052 1324 S CB 0.602 63.891 63.200 0.149 0.000 0.884 1324 S HN 0.663 nan 8.310 nan 0.000 0.506 1325 S N 3.479 119.200 115.700 0.034 0.000 2.524 1325 S HA 0.346 4.819 4.470 0.004 0.000 0.216 1325 S C 0.014 174.624 174.600 0.016 0.000 0.987 1325 S CA -0.039 58.185 58.200 0.041 0.000 0.909 1325 S CB -0.225 62.991 63.200 0.027 0.000 0.781 1325 S HN 0.599 nan 8.310 nan 0.000 0.521 1326 L N 0.726 121.946 121.223 -0.005 0.000 2.479 1326 L HA 0.452 4.794 4.340 0.004 0.000 0.255 1326 L C -1.151 175.737 176.870 0.030 0.000 1.026 1326 L CA -1.186 53.658 54.840 0.006 0.000 0.842 1326 L CB 1.044 43.094 42.059 -0.015 0.000 1.444 1326 L HN -0.167 nan 8.230 nan 0.000 0.409 1327 N N 2.162 120.886 118.700 0.040 0.000 2.468 1327 N HA 0.358 5.101 4.740 0.004 0.000 0.265 1327 N C -1.009 174.540 175.510 0.066 0.000 1.199 1327 N CA 0.163 53.246 53.050 0.055 0.000 0.928 1327 N CB 0.524 39.038 38.487 0.046 0.000 1.059 1327 N HN 0.356 nan 8.380 nan 0.000 0.467 1328 L N 1.484 122.763 121.223 0.093 0.000 2.317 1328 L HA 0.457 4.800 4.340 0.004 0.000 0.281 1328 L C 0.839 177.755 176.870 0.076 0.000 1.024 1328 L CA -0.611 54.295 54.840 0.111 0.000 0.810 1328 L CB 1.546 43.716 42.059 0.185 0.000 1.240 1328 L HN 0.326 nan 8.230 nan 0.000 0.427 1332 D N 0.779 121.161 120.400 -0.031 0.000 2.363 1332 D HA 0.064 4.706 4.640 0.004 0.000 0.226 1332 D C 1.185 177.479 176.300 -0.010 0.000 1.020 1332 D CA 1.192 55.182 54.000 -0.017 0.000 0.892 1332 D CB 0.232 41.026 40.800 -0.010 0.000 0.900 1332 D HN 0.390 nan 8.370 nan 0.000 0.531 1333 G N 0.115 108.908 108.800 -0.012 0.000 2.234 1333 G HA2 -0.322 3.640 3.960 0.004 0.000 0.260 1333 G HA3 -0.322 3.640 3.960 0.004 0.000 0.260 1333 G C 0.503 175.406 174.900 0.005 0.000 0.987 1333 G CA 0.565 45.663 45.100 -0.004 0.000 0.625 1333 G HN 0.893 nan 8.290 nan 0.000 0.532 1334 S N -0.726 114.979 115.700 0.008 0.000 2.584 1334 S HA 0.609 5.081 4.470 0.004 0.000 0.270 1334 S C 0.073 174.690 174.600 0.028 0.000 1.346 1334 S CA 0.090 58.303 58.200 0.021 0.000 1.018 1334 S CB 2.300 65.517 63.200 0.028 0.000 0.899 1334 S HN 1.131 nan 8.310 nan 0.000 0.542 1335 V N 2.469 122.407 119.914 0.041 0.000 2.487 1335 V HA 0.413 4.535 4.120 0.004 0.000 0.298 1335 V C -0.241 175.897 176.094 0.073 0.000 1.028 1335 V CA -0.698 61.633 62.300 0.052 0.000 0.860 1335 V CB 1.343 33.192 31.823 0.043 0.000 0.991 1335 V HN 0.874 nan 8.190 nan 0.000 0.427 1336 I N 4.911 125.541 120.570 0.100 0.000 2.315 1336 I HA 0.329 4.501 4.170 0.004 0.000 0.291 1336 I C 0.524 176.708 176.117 0.112 0.000 1.006 1336 I CA -0.423 60.955 61.300 0.130 0.000 1.265 1336 I CB 0.961 39.085 38.000 0.206 0.000 1.387 1336 I HN 0.517 nan 8.210 nan 0.000 0.475 1337 K N 4.817 125.273 120.400 0.094 0.000 2.295 1337 K HA 0.404 4.726 4.320 0.004 0.000 0.270 1337 K C 0.212 176.864 176.600 0.087 0.000 1.011 1337 K CA -0.524 55.809 56.287 0.077 0.000 0.953 1337 K CB 0.830 33.367 32.500 0.061 0.000 0.956 1337 K HN 0.708 nan 8.250 nan 0.000 0.477 1338 A N 1.384 124.245 122.820 0.069 0.000 2.567 1338 A HA 0.286 4.608 4.320 0.004 0.000 0.240 1338 A C 1.253 178.882 177.584 0.074 0.000 1.053 1338 A CA 1.017 53.094 52.037 0.068 0.000 0.755 1338 A CB -0.701 18.325 19.000 0.044 0.000 0.978 1338 A HN 0.960 nan 8.150 nan 0.000 0.507 1339 G N 1.877 110.741 108.800 0.106 0.000 2.194 1339 G HA2 -0.200 3.763 3.960 0.004 0.000 0.236 1339 G HA3 -0.200 3.763 3.960 0.004 0.000 0.236 1339 G C 0.492 175.519 174.900 0.212 0.000 0.987 1339 G CA 0.351 45.508 45.100 0.094 0.000 0.635 1339 G HN 1.222 nan 8.290 nan 0.000 0.520 1340 T N 1.876 116.556 114.554 0.209 0.000 2.928 1340 T HA 0.354 4.707 4.350 0.004 0.000 0.305 1340 T C 0.159 175.027 174.700 0.280 0.000 1.035 1340 T CA 0.518 62.746 62.100 0.214 0.000 1.145 1340 T CB 1.200 70.161 68.868 0.154 0.000 0.963 1340 T HN 0.303 nan 8.240 nan 0.000 0.545 1341 D N 2.824 123.351 120.400 0.212 0.000 2.363 1341 D HA 0.029 4.671 4.640 0.004 0.000 0.263 1341 D C 0.383 176.612 176.300 -0.119 0.000 1.258 1341 D CA 0.028 53.990 54.000 -0.064 0.000 0.907 1341 D CB 0.311 41.073 40.800 -0.063 0.000 1.107 1341 D HN 0.455 nan 8.370 nan 0.000 0.495 1342 L N 3.428 124.541 121.223 -0.184 0.000 2.818 1342 L HA 0.066 4.409 4.340 0.004 0.000 0.243 1342 L C 1.931 178.651 176.870 -0.250 0.000 1.185 1342 L CA -0.159 54.587 54.840 -0.157 0.000 0.988 1342 L CB 0.194 42.258 42.059 0.007 0.000 1.292 1342 L HN 0.311 nan 8.230 nan 0.000 0.519 1343 T N -0.507 113.857 114.554 -0.317 0.000 2.788 1343 T HA -0.177 4.176 4.350 0.004 0.000 0.268 1343 T C 2.056 176.610 174.700 -0.244 0.000 1.044 1343 T CA 1.895 63.796 62.100 -0.331 0.000 1.139 1343 T CB -0.074 68.520 68.868 -0.458 0.000 0.867 1343 T HN 0.536 nan 8.240 nan 0.000 0.454 1344 S N 1.219 116.799 115.700 -0.201 0.000 2.547 1344 S HA -0.049 4.423 4.470 0.004 0.000 0.235 1344 S C 1.598 176.132 174.600 -0.111 0.000 0.980 1344 S CA 0.427 58.547 58.200 -0.134 0.000 0.941 1344 S CB -0.249 62.893 63.200 -0.096 0.000 0.763 1344 S HN 0.345 nan 8.310 nan 0.000 0.532 1345 Q N 1.781 121.474 119.800 -0.178 0.000 2.246 1345 Q HA 0.203 4.545 4.340 0.004 0.000 0.202 1345 Q C 0.487 176.401 176.000 -0.144 0.000 0.883 1345 Q CA 0.354 56.062 55.803 -0.158 0.000 0.952 1345 Q CB 0.491 28.955 28.738 -0.455 0.000 1.078 1345 Q HN 0.847 nan 8.270 nan 0.000 0.493 1346 T N -1.952 112.491 114.554 -0.185 0.000 2.916 1346 T HA 0.657 5.010 4.350 0.004 0.000 0.292 1346 T C 0.160 174.855 174.700 -0.008 0.000 1.064 1346 T CA -0.653 61.341 62.100 -0.177 0.000 1.011 1346 T CB 2.410 71.122 68.868 -0.260 0.000 1.152 1346 T HN 0.062 nan 8.240 nan 0.000 0.510 1347 T N -1.467 113.098 114.554 0.019 0.000 2.940 1347 T HA 0.860 5.212 4.350 0.004 0.000 0.288 1347 T C -0.443 174.275 174.700 0.031 0.000 1.045 1347 T CA -0.882 61.252 62.100 0.057 0.000 1.018 1347 T CB 1.474 70.370 68.868 0.047 0.000 1.151 1347 T HN 1.332 nan 8.240 nan 0.000 0.529 1348 A N 0.808 123.655 122.820 0.046 0.000 2.475 1348 A HA 0.772 5.095 4.320 0.004 0.000 0.301 1348 A C -1.044 176.546 177.584 0.010 0.000 1.059 1348 A CA -0.941 51.074 52.037 -0.037 0.000 0.710 1348 A CB 1.364 20.339 19.000 -0.042 0.000 1.288 1348 A HN 0.880 nan 8.150 nan 0.000 0.408 1349 E N 0.607 120.795 120.200 -0.019 0.000 2.256 1349 E HA 0.582 4.935 4.350 0.004 0.000 0.268 1349 E C -0.910 175.695 176.600 0.009 0.000 0.877 1349 E CA -0.778 55.629 56.400 0.012 0.000 0.757 1349 E CB 2.408 32.113 29.700 0.009 0.000 1.183 1349 E HN 0.725 nan 8.360 nan 0.000 0.418 1350 T N -0.912 113.671 114.554 0.048 0.000 2.887 1350 T HA 0.479 4.832 4.350 0.004 0.000 0.288 1350 T C -0.767 173.969 174.700 0.059 0.000 1.021 1350 T CA -0.960 61.183 62.100 0.072 0.000 1.000 1350 T CB 1.803 70.768 68.868 0.162 0.000 1.034 1350 T HN 0.309 nan 8.240 nan 0.000 0.467 1351 D N 0.988 121.419 120.400 0.051 0.000 2.378 1351 D HA 0.500 5.143 4.640 0.004 0.000 0.265 1351 D C 0.998 177.321 176.300 0.039 0.000 1.229 1351 D CA -0.652 53.365 54.000 0.028 0.000 0.914 1351 D CB 0.975 41.770 40.800 -0.008 0.000 1.140 1351 D HN 0.644 nan 8.370 nan 0.000 0.516 1352 A N 2.351 125.218 122.820 0.079 0.000 1.930 1352 A HA -0.112 4.211 4.320 0.004 0.000 0.217 1352 A C 1.997 179.611 177.584 0.049 0.000 1.175 1352 A CA 1.595 53.697 52.037 0.108 0.000 0.627 1352 A CB -0.381 18.688 19.000 0.115 0.000 0.815 1352 A HN 0.525 nan 8.150 nan 0.000 0.443 1353 T N 0.851 115.420 114.554 0.025 0.000 2.684 1353 T HA -0.119 4.233 4.350 0.004 0.000 0.267 1353 T C 1.505 176.192 174.700 -0.022 0.000 1.036 1353 T CA 1.605 63.710 62.100 0.008 0.000 1.148 1353 T CB -0.316 68.555 68.868 0.006 0.000 0.863 1353 T HN 0.494 nan 8.240 nan 0.000 0.436 1354 N N 0.393 119.064 118.700 -0.049 0.000 2.336 1354 N HA 0.161 4.904 4.740 0.004 0.000 0.189 1354 N C 0.921 176.310 175.510 -0.203 0.000 1.113 1354 N CA 0.380 53.375 53.050 -0.092 0.000 0.858 1354 N CB 0.362 38.803 38.487 -0.076 0.000 0.970 1354 N HN 0.505 nan 8.380 nan 0.000 0.471 1355 G N 1.718 110.367 108.800 -0.252 0.000 2.374 1355 G HA2 -0.246 3.716 3.960 0.004 0.000 0.289 1355 G HA3 -0.246 3.716 3.960 0.004 0.000 0.289 1355 G C -0.339 173.944 174.900 -1.030 0.000 1.004 1355 G CA 0.104 44.773 45.100 -0.718 0.000 1.292 1355 G HN 0.323 nan 8.290 nan 0.000 0.502 1356 I N -0.477 119.835 120.570 -0.430 0.000 2.619 1356 I HA 0.647 4.820 4.170 0.004 0.000 0.292 1356 I C -0.295 175.840 176.117 0.030 0.000 1.100 1356 I CA -1.339 59.847 61.300 -0.190 0.000 1.043 1356 I CB 2.379 40.312 38.000 -0.113 0.000 1.239 1356 I HN 0.129 nan 8.210 nan 0.000 0.420 1357 V N 4.584 124.527 119.914 0.048 0.000 2.709 1357 V HA 0.677 4.799 4.120 0.004 0.000 0.308 1357 V C -0.775 175.249 176.094 -0.118 0.000 1.062 1357 V CA 0.138 62.361 62.300 -0.128 0.000 0.901 1357 V CB 2.426 33.921 31.823 -0.547 0.000 1.003 1357 V HN 0.842 nan 8.190 nan 0.000 0.425 1358 T N 5.592 120.075 114.554 -0.118 0.000 2.841 1358 T HA 0.621 4.973 4.350 0.004 0.000 0.285 1358 T C -0.931 173.697 174.700 -0.120 0.000 0.991 1358 T CA -0.352 61.712 62.100 -0.061 0.000 0.966 1358 T CB 1.572 70.434 68.868 -0.010 0.000 0.962 1358 T HN 0.561 nan 8.240 nan 0.000 0.438 1359 V N 4.468 124.333 119.914 -0.082 0.000 2.495 1359 V HA 0.602 4.724 4.120 0.004 0.000 0.298 1359 V C -0.097 176.075 176.094 0.130 0.000 1.031 1359 V CA -0.867 61.356 62.300 -0.127 0.000 0.871 1359 V CB 1.697 33.298 31.823 -0.369 0.000 0.988 1359 V HN 0.724 nan 8.190 nan 0.000 0.432 1360 R N 3.132 123.674 120.500 0.071 0.000 2.686 1360 R HA 0.558 4.900 4.340 0.004 0.000 0.286 1360 R C -1.364 175.000 176.300 0.108 0.000 0.969 1360 R CA -0.698 55.494 56.100 0.153 0.000 0.898 1360 R CB 2.297 32.667 30.300 0.117 0.000 1.183 1360 R HN 0.494 nan 8.270 nan 0.000 0.456 1361 F N 1.929 122.033 119.950 0.258 0.000 2.471 1361 F HA 0.170 4.699 4.527 0.004 0.000 0.353 1361 F C 1.027 176.923 175.800 0.160 0.000 1.113 1361 F CA 0.232 58.365 58.000 0.223 0.000 1.262 1361 F CB 0.726 39.885 39.000 0.265 0.000 1.146 1361 F HN 0.117 nan 8.300 nan 0.000 0.578 1362 K N 2.367 122.959 120.400 0.319 0.000 2.270 1362 K HA 0.010 4.333 4.320 0.004 0.000 0.276 1362 K C 1.144 177.892 176.600 0.247 0.000 1.023 1362 K CA -0.211 56.214 56.287 0.229 0.000 0.955 1362 K CB 0.805 33.413 32.500 0.181 0.000 0.975 1362 K HN 0.705 nan 8.250 nan 0.000 0.471 1363 E N 2.058 122.354 120.200 0.159 0.000 2.118 1363 E HA -0.300 4.052 4.350 0.004 0.000 0.195 1363 E C 1.172 177.834 176.600 0.104 0.000 0.992 1363 E CA 1.852 58.317 56.400 0.110 0.000 0.804 1363 E CB 0.102 29.846 29.700 0.074 0.000 0.741 1363 E HN 0.682 nan 8.360 nan 0.000 0.458 1364 D N -0.975 119.500 120.400 0.126 0.000 2.182 1364 D HA -0.207 4.436 4.640 0.004 0.000 0.201 1364 D C 1.590 177.983 176.300 0.154 0.000 0.986 1364 D CA 1.182 55.252 54.000 0.117 0.000 0.847 1364 D CB -0.147 40.725 40.800 0.120 0.000 0.942 1364 D HN 0.281 nan 8.370 nan 0.000 0.467 1365 F N 0.163 120.146 119.950 0.054 0.000 2.220 1365 F HA 0.176 4.705 4.527 0.004 0.000 0.290 1365 F C 1.855 177.621 175.800 -0.056 0.000 1.080 1365 F CA 0.607 58.631 58.000 0.040 0.000 1.318 1365 F CB -0.203 38.881 39.000 0.140 0.000 1.063 1365 F HN -0.076 nan 8.300 nan 0.000 0.498 1366 L N 0.759 121.971 121.223 -0.020 0.000 2.079 1366 L HA -0.263 4.080 4.340 0.004 0.000 0.210 1366 L C 2.593 179.298 176.870 -0.275 0.000 1.081 1366 L CA 1.847 56.521 54.840 -0.278 0.000 0.752 1366 L CB -1.086 40.884 42.059 -0.149 0.000 0.896 1366 L HN 0.370 nan 8.230 nan 0.000 0.433 1367 Q N 0.457 120.168 119.800 -0.148 0.000 2.437 1367 Q HA -0.191 4.151 4.340 0.004 0.000 0.210 1367 Q C 1.573 177.483 176.000 -0.149 0.000 0.972 1367 Q CA 1.181 56.916 55.803 -0.113 0.000 0.903 1367 Q CB -0.126 28.582 28.738 -0.050 0.000 0.967 1367 Q HN 0.461 nan 8.270 nan 0.000 0.486 1368 K N 0.127 120.384 120.400 -0.240 0.000 2.379 1368 K HA 0.167 4.489 4.320 0.004 0.000 0.194 1368 K C 0.084 176.520 176.600 -0.274 0.000 1.031 1368 K CA -0.218 55.925 56.287 -0.240 0.000 1.037 1368 K CB 0.519 32.860 32.500 -0.265 0.000 0.824 1368 K HN 0.195 nan 8.250 nan 0.000 0.516 1369 I N 1.927 122.294 120.570 -0.338 0.000 2.533 1369 I HA -0.024 4.148 4.170 0.004 0.000 0.284 1369 I C 0.843 176.893 176.117 -0.113 0.000 1.109 1369 I CA 0.084 61.229 61.300 -0.258 0.000 1.412 1369 I CB 0.804 38.605 38.000 -0.332 0.000 1.396 1369 I HN -0.012 nan 8.210 nan 0.000 0.543 1370 S N 5.519 121.176 115.700 -0.072 0.000 2.560 1370 S HA 0.132 4.604 4.470 0.004 0.000 0.284 1370 S C 1.405 175.952 174.600 -0.087 0.000 1.327 1370 S CA -0.486 57.674 58.200 -0.066 0.000 1.055 1370 S CB 0.479 63.647 63.200 -0.053 0.000 0.868 1370 S HN 0.503 nan 8.310 nan 0.000 0.506 1371 L N 2.803 123.915 121.223 -0.186 0.000 2.265 1371 L HA -0.058 4.284 4.340 0.004 0.000 0.215 1371 L C 1.079 177.602 176.870 -0.578 0.000 1.117 1371 L CA 0.931 55.463 54.840 -0.513 0.000 0.782 1371 L CB -0.305 41.555 42.059 -0.333 0.000 0.914 1371 L HN 0.604 nan 8.230 nan 0.000 0.441 1372 D N -0.901 119.355 120.400 -0.240 0.000 2.358 1372 D HA 0.063 4.705 4.640 0.004 0.000 0.224 1372 D C 0.558 176.833 176.300 -0.041 0.000 1.123 1372 D CA 0.274 54.194 54.000 -0.133 0.000 0.833 1372 D CB 0.531 41.283 40.800 -0.080 0.000 0.946 1372 D HN 0.007 nan 8.370 nan 0.000 0.505 1373 S N 1.147 116.852 115.700 0.010 0.000 2.537 1373 S HA 0.506 4.978 4.470 0.004 0.000 0.301 1373 S C -2.591 172.131 174.600 0.204 0.000 1.092 1373 S CA -1.649 56.607 58.200 0.093 0.000 1.048 1373 S CB 1.748 65.000 63.200 0.088 0.000 1.053 1373 S HN -0.173 nan 8.310 nan 0.000 0.501 1374 P HA 0.314 nan 4.420 nan 0.000 0.274 1374 P C -1.221 176.189 177.300 0.183 0.000 1.246 1374 P CA -0.306 62.885 63.100 0.152 0.000 0.795 1374 P CB 0.307 32.055 31.700 0.080 0.000 1.006 1375 F N 0.498 120.418 119.950 -0.049 0.000 2.574 1375 F HA 0.494 5.024 4.527 0.005 0.000 0.313 1375 F C -0.997 174.733 175.800 -0.117 0.000 1.130 1375 F CA -0.365 57.556 58.000 -0.131 0.000 0.936 1375 F CB 2.136 40.982 39.000 -0.255 0.000 1.219 1375 F HN 0.351 nan 8.300 nan 0.000 0.445 1376 Q N 4.550 123.736 119.800 -1.022 0.000 2.386 1376 Q HA 0.781 5.124 4.340 0.004 0.000 0.274 1376 Q C -2.200 173.388 176.000 -0.686 0.000 1.011 1376 Q CA -0.746 54.663 55.803 -0.656 0.000 0.867 1376 Q CB 2.333 30.965 28.738 -0.177 0.000 1.409 1376 Q HN 1.037 nan 8.270 nan 0.000 0.395 1377 A N 2.411 125.071 122.820 -0.267 0.000 2.593 1377 A HA 0.827 5.149 4.320 0.004 0.000 0.290 1377 A C -1.842 176.039 177.584 0.495 0.000 1.126 1377 A CA -0.612 51.496 52.037 0.119 0.000 0.695 1377 A CB 1.902 21.074 19.000 0.287 0.000 1.290 1377 A HN 0.748 nan 8.150 nan 0.000 0.414 1378 E N 0.085 120.525 120.200 0.400 0.000 2.331 1378 E HA 0.663 5.016 4.350 0.004 0.000 0.275 1378 E C -1.472 175.114 176.600 -0.022 0.000 0.895 1378 E CA -0.748 55.784 56.400 0.220 0.000 0.753 1378 E CB 2.034 31.823 29.700 0.149 0.000 1.216 1378 E HN 0.302 nan 8.360 nan 0.000 0.434 1379 T N 2.095 116.382 114.554 -0.445 0.000 2.807 1379 T HA 0.340 4.693 4.350 0.004 0.000 0.279 1379 T C -1.346 173.203 174.700 -0.251 0.000 0.993 1379 T CA -0.449 61.383 62.100 -0.447 0.000 0.970 1379 T CB 0.415 68.636 68.868 -1.080 0.000 0.950 1379 T HN 0.338 nan 8.240 nan 0.000 0.441 1380 Y N 2.879 123.171 120.300 -0.013 0.000 2.417 1380 Y HA 0.443 4.995 4.550 0.004 0.000 0.336 1380 Y C 0.209 176.141 175.900 0.053 0.000 0.961 1380 Y CA -0.939 57.190 58.100 0.048 0.000 1.215 1380 Y CB 0.625 39.167 38.460 0.138 0.000 1.120 1380 Y HN 0.361 nan 8.280 nan 0.000 0.499 1381 L N 4.308 125.601 121.223 0.117 0.000 2.281 1381 L HA 0.273 4.615 4.340 0.004 0.000 0.285 1381 L C 0.356 177.269 176.870 0.072 0.000 1.074 1381 L CA -0.209 54.705 54.840 0.123 0.000 0.817 1381 L CB 0.967 43.020 42.059 -0.010 0.000 1.168 1381 L HN 0.645 nan 8.230 nan 0.000 0.434 1385 R N 3.989 124.628 120.500 0.232 0.000 2.316 1385 R HA 0.205 4.547 4.340 0.004 0.000 0.314 1385 R C 0.417 176.734 176.300 0.029 0.000 1.069 1385 R CA 0.065 56.254 56.100 0.149 0.000 0.959 1385 R CB 0.337 30.714 30.300 0.128 0.000 0.987 1385 R HN 0.576 nan 8.270 nan 0.000 0.446 1386 I N 1.080 121.628 120.570 -0.037 0.000 4.102 1386 I HA 0.588 4.760 4.170 0.004 0.000 0.325 1386 I C -0.279 175.811 176.117 -0.045 0.000 1.471 1386 I CA -0.328 60.986 61.300 0.024 0.000 1.133 1386 I CB 0.575 38.645 38.000 0.117 0.000 1.184 1386 I HN 0.482 nan 8.210 nan 0.000 0.451 1387 A N 0.531 123.292 122.820 -0.099 0.000 2.604 1387 A HA 0.768 5.091 4.320 0.004 0.000 0.295 1387 A C -0.911 176.759 177.584 0.143 0.000 1.067 1387 A CA -0.559 51.489 52.037 0.017 0.000 0.683 1387 A CB 0.843 19.904 19.000 0.102 0.000 1.281 1387 A HN 0.159 nan 8.150 nan 0.000 0.407 1388 I N 1.274 121.919 120.570 0.125 0.000 2.634 1388 I HA 0.505 4.678 4.170 0.004 0.000 0.284 1388 I C 1.087 177.326 176.117 0.203 0.000 1.124 1388 I CA 1.586 62.963 61.300 0.128 0.000 1.417 1388 I CB 1.099 39.123 38.000 0.040 0.000 1.396 1388 I HN 1.195 nan 8.210 nan 0.000 0.571 1389 G N 3.728 112.569 108.800 0.068 0.000 2.357 1389 G HA2 0.040 4.002 3.960 0.004 0.000 0.289 1389 G HA3 0.040 4.002 3.960 0.004 0.000 0.289 1389 G C -1.121 173.473 174.900 -0.510 0.000 1.302 1389 G CA -0.875 44.066 45.100 -0.266 0.000 0.936 1389 G HN 0.464 nan 8.290 nan 0.000 0.513 1390 T N 0.750 114.835 114.554 -0.783 0.000 2.779 1390 T HA 0.710 5.063 4.350 0.004 0.000 0.280 1390 T C -1.199 172.994 174.700 -0.845 0.000 0.987 1390 T CA 0.027 61.794 62.100 -0.555 0.000 0.966 1390 T CB 0.735 69.438 68.868 -0.275 0.000 0.933 1390 T HN 0.456 nan 8.240 nan 0.000 0.442 1391 F N 1.262 121.241 119.950 0.048 0.000 2.565 1391 F HA 0.489 5.019 4.527 0.004 0.000 0.313 1391 F C 0.556 176.414 175.800 0.097 0.000 1.091 1391 F CA -1.105 56.947 58.000 0.086 0.000 0.915 1391 F CB 1.831 40.909 39.000 0.129 0.000 1.208 1391 F HN 0.432 nan 8.300 nan 0.000 0.453 1392 E N 0.897 121.256 120.200 0.263 0.000 2.222 1392 E HA 0.471 4.823 4.350 0.004 0.000 0.267 1392 E C -1.246 175.438 176.600 0.140 0.000 0.963 1392 E CA -1.130 55.364 56.400 0.158 0.000 0.837 1392 E CB 2.225 31.977 29.700 0.087 0.000 1.183 1392 E HN 0.507 nan 8.360 nan 0.000 0.403 1393 N N -0.038 118.671 118.700 0.015 0.000 2.264 1393 N HA 0.388 5.130 4.740 0.004 0.000 0.288 1393 N C -1.918 173.533 175.510 -0.098 0.000 1.094 1393 N CA -0.290 52.680 53.050 -0.133 0.000 0.817 1393 N CB 2.067 40.147 38.487 -0.678 0.000 1.604 1393 N HN 0.293 nan 8.380 nan 0.000 0.473 1394 T N 1.595 116.123 114.554 -0.044 0.000 2.909 1394 T HA 0.449 4.802 4.350 0.004 0.000 0.299 1394 T C -1.483 173.262 174.700 0.074 0.000 1.073 1394 T CA -0.477 61.626 62.100 0.005 0.000 0.999 1394 T CB 0.785 69.648 68.868 -0.009 0.000 1.098 1394 T HN 0.486 nan 8.240 nan 0.000 0.477 1395 Y N -0.250 120.029 120.300 -0.036 0.000 2.602 1395 Y HA 0.867 5.419 4.550 0.003 0.000 0.342 1395 Y C -1.651 174.254 175.900 0.008 0.000 1.029 1395 Y CA -1.311 56.785 58.100 -0.005 0.000 1.080 1395 Y CB 1.095 39.568 38.460 0.022 0.000 1.284 1395 Y HN 0.403 nan 8.280 nan 0.000 0.485 1396 V N 3.181 122.952 119.914 -0.238 0.000 2.417 1396 V HA 0.288 4.410 4.120 0.004 0.000 0.291 1396 V C -0.754 175.170 176.094 -0.282 0.000 1.024 1396 V CA -0.894 61.209 62.300 -0.328 0.000 0.861 1396 V CB 1.358 33.107 31.823 -0.124 0.000 0.985 1396 V HN 0.887 nan 8.190 nan 0.000 0.436 1397 N N 2.853 121.323 118.700 -0.384 0.000 2.425 1397 N HA 0.360 5.103 4.740 0.004 0.000 0.268 1397 N C -0.232 175.205 175.510 -0.122 0.000 0.991 1397 N CA -0.384 52.542 53.050 -0.206 0.000 0.931 1397 N CB 1.335 39.666 38.487 -0.261 0.000 1.130 1397 N HN 0.794 nan 8.380 nan 0.000 0.493 1398 T N 0.160 114.630 114.554 -0.139 0.000 2.837 1398 T HA 0.445 4.798 4.350 0.004 0.000 0.285 1398 T C -0.227 174.410 174.700 -0.105 0.000 0.984 1398 T CA -0.595 61.462 62.100 -0.071 0.000 1.049 1398 T CB 1.379 70.218 68.868 -0.050 0.000 0.947 1398 T HN 0.090 nan 8.240 nan 0.000 0.472 1399 V N 3.957 123.889 119.914 0.029 0.000 2.447 1399 V HA 0.362 4.485 4.120 0.004 0.000 0.292 1399 V C -0.252 175.899 176.094 0.094 0.000 1.021 1399 V CA -1.143 61.187 62.300 0.050 0.000 0.850 1399 V CB 0.923 32.785 31.823 0.065 0.000 1.005 1399 V HN 1.039 nan 8.190 nan 0.000 0.426 1400 N N 4.793 123.539 118.700 0.077 0.000 2.707 1400 N HA -0.197 4.546 4.740 0.004 0.000 0.253 1400 N C 0.761 176.293 175.510 0.037 0.000 0.998 1400 N CA 1.004 54.090 53.050 0.060 0.000 0.751 1400 N CB -0.552 37.973 38.487 0.063 0.000 0.920 1400 N HN 0.808 nan 8.380 nan 0.000 0.539 1401 K N -4.363 116.051 120.400 0.023 0.000 3.472 1401 K HA -0.192 4.130 4.320 0.004 0.000 0.315 1401 K C -0.326 176.245 176.600 -0.049 0.000 1.320 1401 K CA 0.872 57.155 56.287 -0.008 0.000 0.962 1401 K CB -1.943 30.556 32.500 -0.002 0.000 1.251 1401 K HN 0.333 nan 8.250 nan 0.000 0.443 1402 V N 1.161 121.039 119.914 -0.059 0.000 2.465 1402 V HA 0.511 4.634 4.120 0.004 0.000 0.279 1402 V C 0.848 176.742 176.094 -0.334 0.000 1.045 1402 V CA -0.301 61.881 62.300 -0.197 0.000 0.938 1402 V CB 1.534 33.237 31.823 -0.201 0.000 0.986 1402 V HN 0.315 nan 8.190 nan 0.000 0.467 1403 A N 5.314 127.891 122.820 -0.404 0.000 2.309 1403 A HA 0.764 5.087 4.320 0.004 0.000 0.298 1403 A C -1.122 176.117 177.584 -0.574 0.000 1.165 1403 A CA -0.246 51.584 52.037 -0.345 0.000 0.821 1403 A CB 0.219 19.093 19.000 -0.211 0.000 1.102 1403 A HN 0.759 nan 8.150 nan 0.000 0.500 1404 Y N 0.905 121.108 120.300 -0.161 0.000 2.346 1404 Y HA 0.542 5.095 4.550 0.005 0.000 0.332 1404 Y C 0.508 176.260 175.900 -0.246 0.000 0.985 1404 Y CA -0.464 57.533 58.100 -0.172 0.000 1.112 1404 Y CB 1.865 40.224 38.460 -0.169 0.000 1.170 1404 Y HN 0.854 nan 8.280 nan 0.000 0.447 1405 A N 2.148 124.923 122.820 -0.075 0.000 2.327 1405 A HA 0.607 4.930 4.320 0.004 0.000 0.283 1405 A C 0.394 177.876 177.584 -0.169 0.000 1.127 1405 A CA -0.355 51.587 52.037 -0.159 0.000 0.810 1405 A CB 0.240 19.180 19.000 -0.101 0.000 1.066 1405 A HN 0.787 nan 8.150 nan 0.000 0.492 1406 S N 2.513 118.058 115.700 -0.260 0.000 2.661 1406 S HA 0.262 4.735 4.470 0.004 0.000 0.265 1406 S C 0.419 174.990 174.600 -0.049 0.000 1.225 1406 S CA -0.484 57.629 58.200 -0.146 0.000 0.986 1406 S CB 0.180 63.324 63.200 -0.093 0.000 1.008 1406 S HN 0.934 nan 8.310 nan 0.000 0.565 1407 N N 0.135 118.834 118.700 -0.001 0.000 2.340 1407 N HA 0.026 4.769 4.740 0.004 0.000 0.236 1407 N C -0.830 174.690 175.510 0.017 0.000 1.296 1407 N CA -0.013 53.043 53.050 0.011 0.000 0.896 1407 N CB -0.375 38.127 38.487 0.025 0.000 1.127 1407 N HN 0.606 nan 8.380 nan 0.000 0.442 1408 T N 0.515 115.077 114.554 0.013 0.000 2.743 1408 T HA 0.341 4.694 4.350 0.004 0.000 0.292 1408 T C 0.449 175.163 174.700 0.023 0.000 0.972 1408 T CA -0.819 61.288 62.100 0.012 0.000 0.967 1408 T CB 0.552 69.425 68.868 0.009 0.000 0.926 1408 T HN 0.509 nan 8.240 nan 0.000 0.459 1409 V N 2.349 122.279 119.914 0.025 0.000 2.997 1409 V HA 0.760 4.883 4.120 0.004 0.000 0.311 1409 V C -0.034 176.102 176.094 0.071 0.000 1.066 1409 V CA -1.031 61.302 62.300 0.055 0.000 1.039 1409 V CB 1.375 33.254 31.823 0.093 0.000 1.081 1409 V HN 0.860 nan 8.190 nan 0.000 0.467 1410 R N 1.042 121.589 120.500 0.078 0.000 2.584 1410 R HA 0.693 5.035 4.340 0.004 0.000 0.276 1410 R C -0.975 175.363 176.300 0.064 0.000 1.046 1410 R CA 0.182 56.326 56.100 0.074 0.000 0.906 1410 R CB 2.283 32.603 30.300 0.034 0.000 1.215 1410 R HN 1.191 nan 8.270 nan 0.000 0.449 1411 T N -0.972 113.625 114.554 0.072 0.000 2.883 1411 T HA 0.477 4.830 4.350 0.004 0.000 0.296 1411 T C -0.769 173.942 174.700 0.019 0.000 1.117 1411 T CA -0.729 61.382 62.100 0.017 0.000 1.006 1411 T CB 2.007 70.842 68.868 -0.055 0.000 1.191 1411 T HN 0.380 nan 8.240 nan 0.000 0.508 1412 T N 0.465 115.012 114.554 -0.012 0.000 2.876 1412 T HA 0.730 5.083 4.350 0.004 0.000 0.289 1412 T C -0.799 173.900 174.700 -0.003 0.000 1.014 1412 T CA -0.209 61.879 62.100 -0.020 0.000 0.986 1412 T CB 1.593 70.435 68.868 -0.043 0.000 1.021 1412 T HN 0.886 nan 8.240 nan 0.000 0.458 1413 T N 0.000 114.567 114.554 0.022 0.000 3.816 1413 T HA 0.000 4.353 4.350 0.004 0.000 0.228 1413 T CA 0.000 62.115 62.100 0.025 0.000 1.349 1413 T CB 0.000 68.918 68.868 0.083 0.000 0.612 1413 T HN 0.000 nan 8.240 nan 0.000 0.658