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 3cwg_1_B DATA FIRST_RESID 1136 DATA SEQUENCE VVTEKQQMLE QHLQDVRKRV QDLEQKMKVV ENLQDDFDFN YKTLKSQGDX DATA SEQUENCE XXXXXXXXXV TRQKMQQLEQ MLTALDQMRR SIVSELAGLL SAMEYVQKTL DATA SEQUENCE TDEELADWKR RQQIACIGGP PNICLDRLEN WITSLAESQL QTRQQIKKLE DATA SEQUENCE ELQQKVSYKG DPIVQHRPML EERIVELFRN LMKSAFVVER QPCMPMHPDR DATA SEQUENCE PLVIKTGVQF TTKVRLLVKF PELNYQLKIK VCIDKXXXXX XXXRGSRKFN DATA SEQUENCE ILGTNTKVMN MEEXXNGSLS AEFKHLTLRE QRCXXXXXXX XXXXXIVTEE DATA SEQUENCE LHLITFETEV YHQGLKIDLE THSLPVVVIS NICQMPNAWA SILWYNMLTN DATA SEQUENCE NPKNVNFFTK PPIGTWDQVA EVLSWQFSST TKRGLSIEQL TTLAEKLLGP DATA SEQUENCE GVNYSGCQIT WAKFCKENMA GKGFSFWVWL DNIIDLVKKY ILALWNEGYI DATA SEQUENCE MGFISKERER AILSTKPPGT FLLRFSESSK EGGVTFTWXX XXXXXKTQIQ DATA SEQUENCE SVEPYTKQQL NXXXFAEIIM GYKXXXXTNI LVSPLVYLYP DIPKEEAFGK DATA SEQUENCE YCR 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 1136 V HA 0.000 nan 4.120 nan 0.000 0.244 1136 V C 0.000 176.126 176.094 0.054 0.000 1.182 1136 V CA 0.000 62.319 62.300 0.031 0.000 1.235 1136 V CB 0.000 31.839 31.823 0.026 0.000 1.184 1137 V N 2.623 122.574 119.914 0.061 0.000 2.407 1137 V HA 0.565 4.685 4.120 0.000 0.000 0.278 1137 V C 0.859 176.988 176.094 0.058 0.000 1.037 1137 V CA 0.409 62.761 62.300 0.087 0.000 0.900 1137 V CB 0.878 32.755 31.823 0.089 0.000 0.983 1137 V HN 1.138 nan 8.190 nan 0.000 0.459 1138 T N 0.829 115.419 114.554 0.059 0.000 2.889 1138 T HA 0.192 4.542 4.350 0.000 0.000 0.340 1138 T C 0.893 175.600 174.700 0.012 0.000 1.145 1138 T CA 0.348 62.467 62.100 0.031 0.000 0.986 1138 T CB 0.957 69.842 68.868 0.028 0.000 1.461 1138 T HN 0.710 nan 8.240 nan 0.000 0.541 1139 E N -0.637 119.559 120.200 -0.005 0.000 2.251 1139 E HA 0.060 4.410 4.350 0.000 0.000 0.194 1139 E C 2.130 178.697 176.600 -0.055 0.000 0.964 1139 E CA 0.017 56.403 56.400 -0.023 0.000 0.868 1139 E CB 0.011 29.701 29.700 -0.017 0.000 0.828 1139 E HN 0.659 nan 8.360 nan 0.000 0.481 1140 K N 0.598 120.968 120.400 -0.050 0.000 2.209 1140 K HA -0.178 4.142 4.320 0.000 0.000 0.204 1140 K C 1.918 178.423 176.600 -0.158 0.000 1.048 1140 K CA 1.283 57.521 56.287 -0.082 0.000 0.940 1140 K CB 0.141 32.612 32.500 -0.048 0.000 0.729 1140 K HN 0.111 nan 8.250 nan 0.000 0.451 1141 Q N -0.519 119.206 119.800 -0.126 0.000 2.311 1141 Q HA -0.090 4.250 4.340 0.000 0.000 0.203 1141 Q C 1.992 177.867 176.000 -0.208 0.000 0.954 1141 Q CA 0.665 56.351 55.803 -0.195 0.000 0.885 1141 Q CB 0.300 29.056 28.738 0.030 0.000 0.963 1141 Q HN 0.285 nan 8.270 nan 0.000 0.471 1142 Q N 0.080 119.800 119.800 -0.132 0.000 1.990 1142 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 1142 Q C 2.055 177.924 176.000 -0.219 0.000 0.980 1142 Q CA 1.076 56.809 55.803 -0.116 0.000 0.832 1142 Q CB -0.261 28.433 28.738 -0.072 0.000 0.897 1142 Q HN 0.395 nan 8.270 nan 0.000 0.427 1143 M N 0.240 119.674 119.600 -0.277 0.000 2.195 1143 M HA -0.143 4.337 4.480 0.000 0.000 0.260 1143 M C 2.195 177.987 176.300 -0.847 0.000 1.066 1143 M CA 1.054 56.059 55.300 -0.492 0.000 1.089 1143 M CB -1.191 31.162 32.600 -0.411 0.000 1.377 1143 M HN 0.145 nan 8.290 nan 0.000 0.411 1144 L N 0.389 121.240 121.223 -0.619 0.000 1.993 1144 L HA -0.103 4.237 4.340 0.000 0.000 0.206 1144 L C 2.377 178.932 176.870 -0.523 0.000 1.074 1144 L CA 1.822 56.297 54.840 -0.608 0.000 0.746 1144 L CB -0.848 40.765 42.059 -0.743 0.000 0.896 1144 L HN 0.213 nan 8.230 nan 0.000 0.435 1145 E N -0.828 119.045 120.200 -0.545 0.000 2.396 1145 E HA -0.254 4.096 4.350 0.000 0.000 0.200 1145 E C 1.830 178.357 176.600 -0.122 0.000 1.023 1145 E CA 1.032 57.274 56.400 -0.263 0.000 0.857 1145 E CB -0.052 29.668 29.700 0.033 0.000 0.775 1145 E HN 0.553 nan 8.360 nan 0.000 0.525 1146 Q N -0.466 119.226 119.800 -0.181 0.000 1.911 1146 Q HA -0.065 4.275 4.340 0.000 0.000 0.202 1146 Q C 1.663 177.657 176.000 -0.011 0.000 0.976 1146 Q CA 2.114 57.857 55.803 -0.099 0.000 0.845 1146 Q CB -0.779 27.866 28.738 -0.156 0.000 0.903 1146 Q HN 0.612 nan 8.270 nan 0.000 0.437 1147 H N -0.466 118.568 119.070 -0.060 0.000 2.312 1147 H HA -0.259 4.297 4.556 0.000 0.000 0.285 1147 H C 1.831 177.142 175.328 -0.027 0.000 1.120 1147 H CA 1.304 57.330 56.048 -0.037 0.000 1.179 1147 H CB -0.186 29.566 29.762 -0.016 0.000 1.349 1147 H HN 0.174 nan 8.280 nan 0.000 0.473 1148 L N 0.716 121.992 121.223 0.087 0.000 2.079 1148 L HA -0.212 4.128 4.340 0.000 0.000 0.210 1148 L C 2.380 179.285 176.870 0.059 0.000 1.081 1148 L CA 1.698 56.573 54.840 0.057 0.000 0.752 1148 L CB -0.457 41.616 42.059 0.024 0.000 0.896 1148 L HN 0.341 nan 8.230 nan 0.000 0.433 1149 Q N -1.250 118.578 119.800 0.047 0.000 2.331 1149 Q HA -0.116 4.224 4.340 0.000 0.000 0.203 1149 Q C 1.425 177.448 176.000 0.037 0.000 0.944 1149 Q CA 0.777 56.607 55.803 0.045 0.000 0.892 1149 Q CB 0.074 28.834 28.738 0.038 0.000 0.983 1149 Q HN 0.516 nan 8.270 nan 0.000 0.482 1150 D N -0.065 120.359 120.400 0.040 0.000 2.183 1150 D HA -0.090 4.550 4.640 0.000 0.000 0.203 1150 D C 1.836 178.150 176.300 0.023 0.000 0.969 1150 D CA 0.855 54.872 54.000 0.029 0.000 0.842 1150 D CB 0.256 41.075 40.800 0.031 0.000 0.957 1150 D HN 0.069 nan 8.370 nan 0.000 0.484 1151 V N 0.883 120.818 119.914 0.034 0.000 2.446 1151 V HA -0.127 3.993 4.120 0.000 0.000 0.244 1151 V C 2.469 178.583 176.094 0.034 0.000 1.039 1151 V CA 0.934 63.253 62.300 0.031 0.000 1.045 1151 V CB -0.327 31.521 31.823 0.043 0.000 0.681 1151 V HN 0.012 nan 8.190 nan 0.000 0.459 1152 R N 1.043 121.569 120.500 0.043 0.000 2.127 1152 R HA -0.219 4.121 4.340 0.000 0.000 0.238 1152 R C 2.097 178.414 176.300 0.029 0.000 1.134 1152 R CA 1.788 57.913 56.100 0.043 0.000 0.975 1152 R CB -0.267 30.064 30.300 0.050 0.000 0.865 1152 R HN 0.355 nan 8.270 nan 0.000 0.447 1153 K N 0.171 120.586 120.400 0.024 0.000 2.186 1153 K HA 0.070 4.390 4.320 0.000 0.000 0.202 1153 K C 1.733 178.339 176.600 0.009 0.000 1.052 1153 K CA 1.190 57.486 56.287 0.015 0.000 0.965 1153 K CB 0.125 32.633 32.500 0.013 0.000 0.746 1153 K HN 0.161 nan 8.250 nan 0.000 0.457 1154 R N -0.255 120.250 120.500 0.008 0.000 2.189 1154 R HA 0.031 4.371 4.340 0.000 0.000 0.218 1154 R C 1.497 177.798 176.300 0.002 0.000 1.074 1154 R CA 1.015 57.116 56.100 0.002 0.000 0.991 1154 R CB 0.018 30.317 30.300 -0.001 0.000 0.883 1154 R HN 0.009 nan 8.270 nan 0.000 0.457 1155 V N 1.053 120.972 119.914 0.008 0.000 3.573 1155 V HA -0.071 4.049 4.120 0.000 0.000 0.270 1155 V C 1.881 177.977 176.094 0.003 0.000 1.221 1155 V CA 1.015 63.318 62.300 0.006 0.000 1.163 1155 V CB -0.140 31.691 31.823 0.014 0.000 0.847 1155 V HN 0.234 nan 8.190 nan 0.000 0.468 1156 Q N -0.193 119.610 119.800 0.004 0.000 2.226 1156 Q HA -0.040 4.300 4.340 0.000 0.000 0.199 1156 Q C 1.692 177.691 176.000 -0.001 0.000 0.945 1156 Q CA 1.040 56.845 55.803 0.003 0.000 0.861 1156 Q CB -0.077 28.664 28.738 0.005 0.000 0.953 1156 Q HN 0.569 nan 8.270 nan 0.000 0.490 1157 D N 1.200 121.599 120.400 -0.002 0.000 2.091 1157 D HA -0.074 4.566 4.640 0.000 0.000 0.199 1157 D C 2.100 178.396 176.300 -0.007 0.000 0.980 1157 D CA 0.627 54.624 54.000 -0.004 0.000 0.831 1157 D CB -0.253 40.544 40.800 -0.005 0.000 0.987 1157 D HN 0.065 nan 8.370 nan 0.000 0.460 1158 L N 0.556 121.775 121.223 -0.007 0.000 2.083 1158 L HA -0.198 4.142 4.340 0.000 0.000 0.209 1158 L C 2.348 179.212 176.870 -0.010 0.000 1.083 1158 L CA 1.090 55.924 54.840 -0.010 0.000 0.752 1158 L CB -0.101 41.952 42.059 -0.010 0.000 0.899 1158 L HN -0.038 nan 8.230 nan 0.000 0.433 1159 E N -0.566 119.630 120.200 -0.008 0.000 2.086 1159 E HA -0.288 4.062 4.350 0.000 0.000 0.200 1159 E C 2.211 178.805 176.600 -0.008 0.000 1.012 1159 E CA 1.598 57.993 56.400 -0.009 0.000 0.812 1159 E CB 0.073 29.769 29.700 -0.006 0.000 0.743 1159 E HN 0.323 nan 8.360 nan 0.000 0.453 1160 Q N 0.349 120.145 119.800 -0.007 0.000 1.990 1160 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 1160 Q C 2.211 178.206 176.000 -0.007 0.000 0.980 1160 Q CA 1.302 57.101 55.803 -0.006 0.000 0.832 1160 Q CB -0.444 28.291 28.738 -0.005 0.000 0.897 1160 Q HN 0.241 nan 8.270 nan 0.000 0.427 1161 K N -0.120 120.275 120.400 -0.008 0.000 2.052 1161 K HA -0.196 4.124 4.320 0.000 0.000 0.215 1161 K C 2.093 178.687 176.600 -0.009 0.000 1.053 1161 K CA 1.561 57.843 56.287 -0.009 0.000 0.934 1161 K CB -0.167 32.327 32.500 -0.011 0.000 0.717 1161 K HN 0.163 nan 8.250 nan 0.000 0.450 1162 M N 1.164 120.757 119.600 -0.011 0.000 2.089 1162 M HA -0.227 4.253 4.480 0.000 0.000 0.257 1162 M C 1.894 178.188 176.300 -0.010 0.000 1.071 1162 M CA 1.783 57.075 55.300 -0.012 0.000 1.096 1162 M CB -0.794 31.797 32.600 -0.014 0.000 1.330 1162 M HN 0.121 nan 8.290 nan 0.000 0.403 1163 K N -0.663 119.732 120.400 -0.008 0.000 2.026 1163 K HA -0.124 4.196 4.320 0.000 0.000 0.208 1163 K C 1.957 178.555 176.600 -0.003 0.000 1.048 1163 K CA 1.460 57.743 56.287 -0.006 0.000 0.929 1163 K CB -0.384 32.112 32.500 -0.006 0.000 0.713 1163 K HN 0.171 nan 8.250 nan 0.000 0.439 1164 V N 0.939 120.851 119.914 -0.003 0.000 2.295 1164 V HA -0.221 3.899 4.120 0.000 0.000 0.246 1164 V C 2.176 178.271 176.094 0.003 0.000 1.049 1164 V CA 1.685 63.985 62.300 0.000 0.000 1.024 1164 V CB -0.430 31.393 31.823 -0.000 0.000 0.648 1164 V HN 0.203 nan 8.190 nan 0.000 0.447 1165 V N -0.138 119.775 119.914 -0.001 0.000 2.490 1165 V HA -0.237 3.883 4.120 0.000 0.000 0.250 1165 V C 2.453 178.546 176.094 -0.002 0.000 1.061 1165 V CA 2.182 64.481 62.300 -0.003 0.000 1.064 1165 V CB -0.320 31.497 31.823 -0.010 0.000 0.670 1165 V HN 0.665 nan 8.190 nan 0.000 0.461 1166 E N 0.049 120.248 120.200 -0.002 0.000 2.110 1166 E HA -0.221 4.129 4.350 0.000 0.000 0.193 1166 E C 1.970 178.579 176.600 0.015 0.000 0.988 1166 E CA 1.732 58.132 56.400 0.001 0.000 0.804 1166 E CB -0.238 29.461 29.700 -0.001 0.000 0.745 1166 E HN 0.763 nan 8.360 nan 0.000 0.458 1167 N N 0.510 119.220 118.700 0.015 0.000 2.080 1167 N HA -0.135 4.605 4.740 0.000 0.000 0.189 1167 N C 1.680 177.215 175.510 0.041 0.000 1.036 1167 N CA 0.447 53.511 53.050 0.023 0.000 0.846 1167 N CB -0.060 38.434 38.487 0.012 0.000 1.015 1167 N HN -0.012 nan 8.380 nan 0.000 0.423 1168 L N 1.620 122.867 121.223 0.039 0.000 2.349 1168 L HA -0.134 4.206 4.340 0.000 0.000 0.220 1168 L C 2.189 179.115 176.870 0.094 0.000 1.130 1168 L CA 1.438 56.315 54.840 0.061 0.000 0.791 1168 L CB -0.556 41.529 42.059 0.042 0.000 0.918 1168 L HN 0.257 nan 8.230 nan 0.000 0.444 1169 Q N -1.655 118.184 119.800 0.065 0.000 2.402 1169 Q HA -0.076 4.264 4.340 0.000 0.000 0.206 1169 Q C 1.092 177.183 176.000 0.152 0.000 0.919 1169 Q CA 0.452 56.292 55.803 0.061 0.000 0.923 1169 Q CB 0.383 29.106 28.738 -0.025 0.000 1.048 1169 Q HN 0.443 nan 8.270 nan 0.000 0.515 1170 D N 0.710 121.189 120.400 0.131 0.000 2.213 1170 D HA -0.096 4.544 4.640 0.000 0.000 0.205 1170 D C 1.012 177.435 176.300 0.204 0.000 0.961 1170 D CA 0.607 54.697 54.000 0.150 0.000 0.853 1170 D CB 0.176 41.030 40.800 0.089 0.000 0.967 1170 D HN 0.293 nan 8.370 nan 0.000 0.496 1171 D N 0.629 121.135 120.400 0.178 0.000 2.097 1171 D HA -0.147 4.493 4.640 0.000 0.000 0.195 1171 D C 1.894 178.365 176.300 0.285 0.000 0.989 1171 D CA 0.452 54.562 54.000 0.182 0.000 0.827 1171 D CB -0.609 40.266 40.800 0.124 0.000 0.966 1171 D HN 0.208 nan 8.370 nan 0.000 0.456 1172 F N 1.882 121.906 119.950 0.124 0.000 2.095 1172 F HA -0.232 4.295 4.527 0.000 0.000 0.298 1172 F C 2.029 177.920 175.800 0.151 0.000 1.104 1172 F CA 1.625 59.700 58.000 0.124 0.000 1.232 1172 F CB 0.083 39.126 39.000 0.072 0.000 0.987 1172 F HN -0.169 nan 8.300 nan 0.000 0.475 1173 D N -0.225 120.456 120.400 0.468 0.000 2.117 1173 D HA -0.256 4.384 4.640 0.000 0.000 0.197 1173 D C 2.189 178.623 176.300 0.224 0.000 0.987 1173 D CA 1.483 55.678 54.000 0.326 0.000 0.829 1173 D CB -0.434 40.519 40.800 0.255 0.000 0.961 1173 D HN 0.388 nan 8.370 nan 0.000 0.460 1174 F N 1.848 121.858 119.950 0.100 0.000 2.113 1174 F HA -0.154 4.373 4.527 0.000 0.000 0.297 1174 F C 1.990 177.806 175.800 0.027 0.000 1.103 1174 F CA 1.324 59.359 58.000 0.059 0.000 1.248 1174 F CB -0.475 38.553 39.000 0.046 0.000 0.999 1174 F HN -0.105 nan 8.300 nan 0.000 0.475 1175 N N -0.512 118.298 118.700 0.183 0.000 2.205 1175 N HA -0.246 4.494 4.740 0.000 0.000 0.186 1175 N C 1.663 177.089 175.510 -0.139 0.000 1.015 1175 N CA 1.579 54.639 53.050 0.017 0.000 0.862 1175 N CB -0.887 37.625 38.487 0.042 0.000 0.986 1175 N HN 0.499 nan 8.380 nan 0.000 0.429 1176 Y N 0.822 120.955 120.300 -0.278 0.000 2.420 1176 Y HA 0.074 4.625 4.550 0.000 0.000 0.292 1176 Y C 2.076 177.857 175.900 -0.198 0.000 1.119 1176 Y CA 0.952 58.886 58.100 -0.277 0.000 1.229 1176 Y CB 0.218 38.466 38.460 -0.353 0.000 1.026 1176 Y HN -0.106 nan 8.280 nan 0.000 0.554 1177 K N -1.376 118.994 120.400 -0.050 0.000 2.404 1177 K HA 0.010 4.330 4.320 0.000 0.000 0.194 1177 K C 1.723 178.155 176.600 -0.280 0.000 1.023 1177 K CA 0.888 57.109 56.287 -0.109 0.000 1.094 1177 K CB 0.183 32.649 32.500 -0.058 0.000 0.841 1177 K HN 0.119 nan 8.250 nan 0.000 0.523 1178 T N -0.046 114.263 114.554 -0.408 0.000 3.033 1178 T HA 0.061 4.411 4.350 0.000 0.000 0.248 1178 T C 1.051 175.589 174.700 -0.269 0.000 1.040 1178 T CA 0.275 62.112 62.100 -0.439 0.000 1.133 1178 T CB 0.130 68.622 68.868 -0.627 0.000 0.895 1178 T HN 0.150 nan 8.240 nan 0.000 0.465 1179 L N 1.211 122.273 121.223 -0.269 0.000 2.591 1179 L HA 0.426 4.766 4.340 0.000 0.000 0.228 1179 L C 1.745 178.453 176.870 -0.270 0.000 1.133 1179 L CA 1.031 55.724 54.840 -0.245 0.000 0.880 1179 L CB -0.205 41.692 42.059 -0.270 0.000 1.033 1179 L HN 0.020 nan 8.230 nan 0.000 0.450 1180 K N -0.682 119.556 120.400 -0.269 0.000 2.404 1180 K HA 0.120 4.440 4.320 0.000 0.000 0.194 1180 K C 0.057 176.571 176.600 -0.143 0.000 1.023 1180 K CA 0.734 56.889 56.287 -0.220 0.000 1.094 1180 K CB 0.211 32.609 32.500 -0.171 0.000 0.841 1180 K HN 0.350 nan 8.250 nan 0.000 0.523 1181 S N -0.304 115.311 115.700 -0.142 0.000 2.606 1181 S HA 0.160 4.630 4.470 0.000 0.000 0.156 1181 S C -0.272 174.270 174.600 -0.096 0.000 1.308 1181 S CA -0.485 57.653 58.200 -0.103 0.000 1.228 1181 S CB 0.566 63.709 63.200 -0.094 0.000 1.568 1181 S HN 0.443 nan 8.310 nan 0.000 0.397 1182 Q N 0.248 119.992 119.800 -0.093 0.000 1.907 1182 Q HA 0.185 4.525 4.340 0.000 0.000 0.149 1182 Q C 1.298 177.254 176.000 -0.073 0.000 0.642 1182 Q CA 0.171 55.928 55.803 -0.077 0.000 0.895 1182 Q CB -0.910 27.780 28.738 -0.080 0.000 1.074 1182 Q HN 0.516 nan 8.270 nan 0.000 0.284 1183 G N 1.632 110.377 108.800 -0.091 0.000 3.262 1183 G HA2 0.059 4.019 3.960 0.000 0.000 0.222 1183 G HA3 0.059 4.019 3.960 0.000 0.000 0.222 1183 G C -0.164 174.691 174.900 -0.074 0.000 1.269 1183 G CA 0.317 45.367 45.100 -0.083 0.000 1.032 1183 G HN 0.356 nan 8.290 nan 0.000 0.502 1196 T N 1.395 115.915 114.554 -0.056 0.000 2.868 1196 T HA 0.434 4.784 4.350 0.000 0.000 0.292 1196 T C -0.033 174.646 174.700 -0.035 0.000 1.028 1196 T CA -0.404 61.670 62.100 -0.044 0.000 1.059 1196 T CB 0.285 69.124 68.868 -0.049 0.000 0.991 1196 T HN 0.543 nan 8.240 nan 0.000 0.531 1197 R N 1.499 121.984 120.500 -0.024 0.000 2.202 1197 R HA 0.282 4.622 4.340 0.000 0.000 0.334 1197 R C 0.495 176.787 176.300 -0.013 0.000 1.036 1197 R CA -0.358 55.732 56.100 -0.017 0.000 0.878 1197 R CB 0.385 30.677 30.300 -0.013 0.000 1.067 1197 R HN 0.837 nan 8.270 nan 0.000 0.457 1198 Q N 1.109 120.902 119.800 -0.012 0.000 2.416 1198 Q HA -0.234 4.106 4.340 0.000 0.000 0.235 1198 Q C 0.064 176.059 176.000 -0.008 0.000 0.773 1198 Q CA 1.295 57.095 55.803 -0.006 0.000 1.286 1198 Q CB -0.191 28.547 28.738 -0.000 0.000 1.556 1198 Q HN 0.492 nan 8.270 nan 0.000 0.650 1199 K N -1.217 119.171 120.400 -0.020 0.000 2.450 1199 K HA 0.169 4.489 4.320 0.000 0.000 0.206 1199 K C 1.162 177.727 176.600 -0.058 0.000 1.148 1199 K CA 0.668 56.936 56.287 -0.031 0.000 1.014 1199 K CB 0.363 32.844 32.500 -0.032 0.000 0.966 1199 K HN 0.311 nan 8.250 nan 0.000 0.566 1200 M N 1.111 120.682 119.600 -0.050 0.000 2.534 1200 M HA 0.068 4.548 4.480 0.000 0.000 0.263 1200 M C 1.924 178.204 176.300 -0.034 0.000 1.152 1200 M CA 1.428 56.693 55.300 -0.059 0.000 1.145 1200 M CB 0.266 32.837 32.600 -0.049 0.000 1.333 1200 M HN 0.029 nan 8.290 nan 0.000 0.477 1201 Q N 0.102 119.892 119.800 -0.017 0.000 2.165 1201 Q HA -0.082 4.258 4.340 0.000 0.000 0.197 1201 Q C 1.139 177.148 176.000 0.015 0.000 0.952 1201 Q CA 0.941 56.745 55.803 0.002 0.000 0.848 1201 Q CB -0.474 28.266 28.738 0.004 0.000 0.931 1201 Q HN 0.699 nan 8.270 nan 0.000 0.470 1202 Q N 0.497 120.303 119.800 0.009 0.000 2.185 1202 Q HA -0.011 4.329 4.340 0.000 0.000 0.179 1202 Q C 0.098 176.111 176.000 0.022 0.000 0.810 1202 Q CA -0.021 55.798 55.803 0.027 0.000 1.021 1202 Q CB 0.115 28.867 28.738 0.024 0.000 1.244 1202 Q HN 0.286 nan 8.270 nan 0.000 0.404 1203 L N -1.665 119.579 121.223 0.034 0.000 2.463 1203 L HA 0.080 4.420 4.340 0.000 0.000 0.208 1203 L C 1.427 178.405 176.870 0.181 0.000 1.082 1203 L CA 0.779 55.638 54.840 0.031 0.000 0.997 1203 L CB -0.017 42.002 42.059 -0.067 0.000 1.953 1203 L HN 0.224 nan 8.230 nan 0.000 0.499 1204 E N -0.242 120.020 120.200 0.103 0.000 2.160 1204 E HA -0.250 4.100 4.350 0.000 0.000 0.195 1204 E C 1.658 178.302 176.600 0.073 0.000 0.991 1204 E CA 1.541 57.991 56.400 0.084 0.000 0.810 1204 E CB -0.086 29.641 29.700 0.046 0.000 0.742 1204 E HN 0.566 nan 8.360 nan 0.000 0.466 1205 Q N 0.120 119.967 119.800 0.079 0.000 2.159 1205 Q HA 0.097 4.437 4.340 0.000 0.000 0.194 1205 Q C 2.305 178.363 176.000 0.098 0.000 0.968 1205 Q CA 0.460 56.301 55.803 0.064 0.000 0.837 1205 Q CB -0.047 28.721 28.738 0.050 0.000 0.920 1205 Q HN 0.249 nan 8.270 nan 0.000 0.485 1206 M N 0.660 120.357 119.600 0.162 0.000 2.195 1206 M HA -0.250 4.230 4.480 0.000 0.000 0.254 1206 M C 2.131 178.547 176.300 0.194 0.000 1.083 1206 M CA 1.282 56.726 55.300 0.240 0.000 1.069 1206 M CB -0.253 32.616 32.600 0.448 0.000 1.364 1206 M HN 0.205 nan 8.290 nan 0.000 0.403 1207 L N -0.544 120.795 121.223 0.193 0.000 2.127 1207 L HA -0.055 4.285 4.340 0.000 0.000 0.203 1207 L C 2.223 179.033 176.870 -0.099 0.000 1.080 1207 L CA 1.644 56.477 54.840 -0.012 0.000 0.768 1207 L CB -0.573 41.503 42.059 0.028 0.000 0.924 1207 L HN 0.106 nan 8.230 nan 0.000 0.444 1208 T N 0.014 114.538 114.554 -0.050 0.000 2.849 1208 T HA -0.152 4.198 4.350 0.000 0.000 0.270 1208 T C 1.790 176.465 174.700 -0.042 0.000 1.066 1208 T CA 1.223 63.285 62.100 -0.064 0.000 1.130 1208 T CB -0.385 68.466 68.868 -0.028 0.000 0.864 1208 T HN 0.525 nan 8.240 nan 0.000 0.481 1209 A N 1.144 123.954 122.820 -0.015 0.000 1.878 1209 A HA 0.205 4.525 4.320 0.000 0.000 0.213 1209 A C 2.266 179.841 177.584 -0.015 0.000 1.192 1209 A CA 0.584 52.619 52.037 -0.003 0.000 0.619 1209 A CB -0.645 18.367 19.000 0.021 0.000 0.837 1209 A HN 0.412 nan 8.150 nan 0.000 0.446 1210 L N -0.106 121.095 121.223 -0.037 0.000 2.079 1210 L HA -0.234 4.106 4.340 0.000 0.000 0.210 1210 L C 2.344 179.212 176.870 -0.003 0.000 1.081 1210 L CA 2.147 56.958 54.840 -0.048 0.000 0.752 1210 L CB -0.742 41.234 42.059 -0.138 0.000 0.896 1210 L HN 0.560 nan 8.230 nan 0.000 0.433 1211 D N -0.386 120.006 120.400 -0.013 0.000 2.144 1211 D HA -0.254 4.386 4.640 0.000 0.000 0.199 1211 D C 2.170 178.493 176.300 0.039 0.000 0.984 1211 D CA 0.980 55.011 54.000 0.053 0.000 0.834 1211 D CB 0.169 40.939 40.800 -0.051 0.000 0.955 1211 D HN 0.051 nan 8.370 nan 0.000 0.465 1212 Q N -0.875 118.929 119.800 0.006 0.000 2.297 1212 Q HA 0.008 4.348 4.340 0.000 0.000 0.204 1212 Q C 1.690 177.692 176.000 0.003 0.000 0.962 1212 Q CA 0.812 56.618 55.803 0.004 0.000 0.879 1212 Q CB 0.011 28.748 28.738 -0.002 0.000 0.947 1212 Q HN 0.377 nan 8.270 nan 0.000 0.462 1213 M N -0.540 119.062 119.600 0.003 0.000 2.073 1213 M HA -0.066 4.414 4.480 0.000 0.000 0.259 1213 M C 1.920 178.219 176.300 -0.002 0.000 1.079 1213 M CA 1.529 56.827 55.300 -0.002 0.000 1.131 1213 M CB -0.980 31.617 32.600 -0.005 0.000 1.316 1213 M HN 0.167 nan 8.290 nan 0.000 0.415 1214 R N 0.218 120.724 120.500 0.010 0.000 2.133 1214 R HA -0.202 4.138 4.340 0.000 0.000 0.245 1214 R C 2.314 178.613 176.300 -0.002 0.000 1.137 1214 R CA 1.773 57.879 56.100 0.010 0.000 0.947 1214 R CB -0.682 29.645 30.300 0.044 0.000 0.865 1214 R HN 0.464 nan 8.270 nan 0.000 0.437 1215 R N 0.002 120.506 120.500 0.008 0.000 2.096 1215 R HA -0.138 4.202 4.340 0.000 0.000 0.240 1215 R C 2.627 178.901 176.300 -0.044 0.000 1.139 1215 R CA 1.796 57.887 56.100 -0.016 0.000 0.952 1215 R CB -0.518 29.783 30.300 0.001 0.000 0.854 1215 R HN 0.173 nan 8.270 nan 0.000 0.436 1216 S N 0.519 116.201 115.700 -0.029 0.000 2.345 1216 S HA -0.110 4.360 4.470 0.000 0.000 0.220 1216 S C 1.947 176.523 174.600 -0.040 0.000 1.031 1216 S CA 1.019 59.199 58.200 -0.033 0.000 0.996 1216 S CB -0.107 63.081 63.200 -0.021 0.000 0.882 1216 S HN 0.091 nan 8.310 nan 0.000 0.445 1217 I N 1.081 121.631 120.570 -0.033 0.000 2.151 1217 I HA -0.122 4.048 4.170 0.000 0.000 0.243 1217 I C 2.391 178.479 176.117 -0.047 0.000 1.080 1217 I CA 0.996 62.277 61.300 -0.033 0.000 1.339 1217 I CB -0.792 37.193 38.000 -0.026 0.000 1.039 1217 I HN 0.176 nan 8.210 nan 0.000 0.409 1218 V N 0.247 120.123 119.914 -0.065 0.000 2.358 1218 V HA -0.244 3.876 4.120 0.000 0.000 0.246 1218 V C 2.518 178.532 176.094 -0.133 0.000 1.047 1218 V CA 2.206 64.445 62.300 -0.101 0.000 1.035 1218 V CB -0.443 31.295 31.823 -0.141 0.000 0.658 1218 V HN 0.682 nan 8.190 nan 0.000 0.452 1219 S N -1.478 114.143 115.700 -0.131 0.000 2.489 1219 S HA -0.137 4.333 4.470 0.000 0.000 0.228 1219 S C 1.815 176.372 174.600 -0.072 0.000 0.995 1219 S CA 1.260 59.390 58.200 -0.117 0.000 0.934 1219 S CB -0.232 62.908 63.200 -0.100 0.000 0.771 1219 S HN 0.754 nan 8.310 nan 0.000 0.522 1220 E N 1.108 121.273 120.200 -0.058 0.000 2.107 1220 E HA 0.022 4.372 4.350 0.000 0.000 0.191 1220 E C 1.883 178.461 176.600 -0.035 0.000 0.982 1220 E CA 0.741 57.117 56.400 -0.041 0.000 0.809 1220 E CB -0.146 29.535 29.700 -0.033 0.000 0.756 1220 E HN 0.537 nan 8.360 nan 0.000 0.459 1221 L N 0.355 121.556 121.223 -0.037 0.000 2.027 1221 L HA -0.113 4.227 4.340 0.000 0.000 0.206 1221 L C 2.625 179.481 176.870 -0.024 0.000 1.074 1221 L CA 1.012 55.836 54.840 -0.026 0.000 0.745 1221 L CB -0.423 41.622 42.059 -0.024 0.000 0.898 1221 L HN 0.175 nan 8.230 nan 0.000 0.433 1222 A N 0.401 123.199 122.820 -0.037 0.000 1.873 1222 A HA -0.228 4.092 4.320 0.000 0.000 0.218 1222 A C 2.384 179.956 177.584 -0.020 0.000 1.193 1222 A CA 2.139 54.159 52.037 -0.027 0.000 0.629 1222 A CB -1.508 17.464 19.000 -0.048 0.000 0.826 1222 A HN 0.463 nan 8.150 nan 0.000 0.447 1223 G N -0.513 108.270 108.800 -0.029 0.000 2.418 1223 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 1223 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 1223 G C 1.490 176.376 174.900 -0.023 0.000 1.158 1223 G CA 1.217 46.300 45.100 -0.028 0.000 0.771 1223 G HN 0.588 nan 8.290 nan 0.000 0.545 1224 L N -0.117 121.095 121.223 -0.018 0.000 2.083 1224 L HA 0.118 4.458 4.340 0.000 0.000 0.209 1224 L C 2.532 179.403 176.870 0.003 0.000 1.083 1224 L CA 1.404 56.238 54.840 -0.010 0.000 0.752 1224 L CB -0.370 41.685 42.059 -0.006 0.000 0.899 1224 L HN 0.152 nan 8.230 nan 0.000 0.433 1225 L N -0.953 120.274 121.223 0.006 0.000 2.044 1225 L HA -0.119 4.221 4.340 0.000 0.000 0.205 1225 L C 2.537 179.421 176.870 0.023 0.000 1.075 1225 L CA 1.661 56.513 54.840 0.020 0.000 0.747 1225 L CB -0.739 41.332 42.059 0.021 0.000 0.903 1225 L HN 0.189 nan 8.230 nan 0.000 0.435 1226 S N -0.440 115.268 115.700 0.013 0.000 2.420 1226 S HA -0.239 4.231 4.470 0.000 0.000 0.237 1226 S C 2.097 176.712 174.600 0.025 0.000 1.023 1226 S CA 1.167 59.377 58.200 0.018 0.000 0.991 1226 S CB -0.433 62.767 63.200 0.001 0.000 0.792 1226 S HN 0.526 nan 8.310 nan 0.000 0.488 1227 A N 1.357 124.180 122.820 0.004 0.000 1.898 1227 A HA 0.075 4.395 4.320 0.000 0.000 0.214 1227 A C 2.100 179.709 177.584 0.042 0.000 1.183 1227 A CA 1.058 53.090 52.037 -0.009 0.000 0.622 1227 A CB -0.472 18.506 19.000 -0.037 0.000 0.824 1227 A HN 0.489 nan 8.150 nan 0.000 0.444 1228 M N -1.089 118.538 119.600 0.045 0.000 2.254 1228 M HA -0.101 4.379 4.480 0.000 0.000 0.265 1228 M C 1.944 178.284 176.300 0.066 0.000 1.066 1228 M CA 1.434 56.769 55.300 0.060 0.000 1.123 1228 M CB -0.419 32.217 32.600 0.059 0.000 1.388 1228 M HN 0.414 nan 8.290 nan 0.000 0.425 1229 E N 0.068 120.307 120.200 0.065 0.000 2.085 1229 E HA -0.228 4.122 4.350 0.000 0.000 0.194 1229 E C 1.742 178.373 176.600 0.051 0.000 0.994 1229 E CA 1.638 58.070 56.400 0.053 0.000 0.801 1229 E CB -0.197 29.535 29.700 0.053 0.000 0.743 1229 E HN 0.461 nan 8.360 nan 0.000 0.453 1230 Y N 0.510 120.782 120.300 -0.047 0.000 2.070 1230 Y HA -0.286 4.264 4.550 0.000 0.000 0.279 1230 Y C 2.139 177.998 175.900 -0.069 0.000 1.134 1230 Y CA 1.740 59.795 58.100 -0.074 0.000 1.113 1230 Y CB -0.446 37.936 38.460 -0.130 0.000 0.981 1230 Y HN -0.139 nan 8.280 nan 0.000 0.487 1231 V N 0.851 120.842 119.914 0.130 0.000 2.392 1231 V HA -0.364 3.756 4.120 0.000 0.000 0.249 1231 V C 2.327 178.421 176.094 -0.001 0.000 1.059 1231 V CA 2.273 64.620 62.300 0.079 0.000 1.051 1231 V CB -0.995 30.898 31.823 0.118 0.000 0.658 1231 V HN 0.520 nan 8.190 nan 0.000 0.455 1232 Q N 0.169 119.969 119.800 0.000 0.000 2.084 1232 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 1232 Q C 2.346 178.319 176.000 -0.045 0.000 0.978 1232 Q CA 1.677 57.476 55.803 -0.006 0.000 0.844 1232 Q CB -0.047 28.697 28.738 0.009 0.000 0.898 1232 Q HN 0.618 nan 8.270 nan 0.000 0.426 1233 K N -0.745 119.599 120.400 -0.093 0.000 2.147 1233 K HA -0.079 4.241 4.320 0.000 0.000 0.205 1233 K C 1.947 178.463 176.600 -0.141 0.000 1.049 1233 K CA 1.567 57.780 56.287 -0.125 0.000 0.936 1233 K CB 0.036 32.428 32.500 -0.180 0.000 0.722 1233 K HN 0.201 nan 8.250 nan 0.000 0.446 1234 T N 1.720 116.169 114.554 -0.176 0.000 3.023 1234 T HA -0.002 4.348 4.350 0.000 0.000 0.266 1234 T C 1.701 176.359 174.700 -0.071 0.000 1.093 1234 T CA 0.498 62.518 62.100 -0.133 0.000 1.129 1234 T CB 0.110 68.920 68.868 -0.096 0.000 0.899 1234 T HN 0.123 nan 8.240 nan 0.000 0.491 1235 L N 0.995 122.189 121.223 -0.049 0.000 2.062 1235 L HA -0.060 4.280 4.340 0.000 0.000 0.202 1235 L C 3.069 179.949 176.870 0.017 0.000 1.079 1235 L CA 1.760 56.596 54.840 -0.007 0.000 0.755 1235 L CB -0.765 41.306 42.059 0.020 0.000 0.913 1235 L HN 0.399 nan 8.230 nan 0.000 0.445 1236 T N -3.011 111.543 114.554 -0.001 0.000 2.588 1236 T HA -0.209 4.141 4.350 0.000 0.000 0.261 1236 T C 1.450 176.153 174.700 0.005 0.000 1.069 1236 T CA 1.457 63.559 62.100 0.002 0.000 1.172 1236 T CB -0.669 68.191 68.868 -0.013 0.000 0.863 1236 T HN 0.261 nan 8.240 nan 0.000 0.408 1237 D N 1.210 121.599 120.400 -0.018 0.000 2.350 1237 D HA 0.010 4.650 4.640 0.000 0.000 0.216 1237 D C 1.914 178.205 176.300 -0.015 0.000 0.968 1237 D CA 0.896 54.885 54.000 -0.019 0.000 0.894 1237 D CB 0.118 40.894 40.800 -0.040 0.000 0.909 1237 D HN 0.717 nan 8.370 nan 0.000 0.520 1238 E N -0.021 120.171 120.200 -0.013 0.000 2.538 1238 E HA 0.034 4.384 4.350 0.000 0.000 0.188 1238 E C 1.383 178.001 176.600 0.030 0.000 1.014 1238 E CA -0.200 56.197 56.400 -0.006 0.000 1.140 1238 E CB 0.318 29.998 29.700 -0.032 0.000 1.262 1238 E HN -0.076 nan 8.360 nan 0.000 0.488 1239 E N 0.887 121.112 120.200 0.042 0.000 2.511 1239 E HA -0.046 4.304 4.350 0.000 0.000 0.196 1239 E C 1.557 178.253 176.600 0.160 0.000 1.066 1239 E CA 0.301 56.764 56.400 0.106 0.000 0.871 1239 E CB 0.472 30.243 29.700 0.118 0.000 0.863 1239 E HN 0.112 nan 8.360 nan 0.000 0.520 1240 L N -0.209 121.091 121.223 0.128 0.000 2.362 1240 L HA 0.269 4.609 4.340 0.000 0.000 0.204 1240 L C 2.050 179.043 176.870 0.205 0.000 1.060 1240 L CA 1.230 56.172 54.840 0.171 0.000 0.827 1240 L CB -0.600 41.516 42.059 0.096 0.000 1.027 1240 L HN -0.043 nan 8.230 nan 0.000 0.474 1241 A N -0.254 122.630 122.820 0.107 0.000 1.917 1241 A HA -0.279 4.041 4.320 0.000 0.000 0.219 1241 A C 1.931 179.548 177.584 0.054 0.000 1.182 1241 A CA 2.214 54.288 52.037 0.062 0.000 0.633 1241 A CB -1.035 17.978 19.000 0.022 0.000 0.819 1241 A HN 0.526 nan 8.150 nan 0.000 0.448 1242 D N -1.716 118.729 120.400 0.075 0.000 2.133 1242 D HA -0.202 4.438 4.640 0.000 0.000 0.195 1242 D C 1.494 177.838 176.300 0.074 0.000 0.997 1242 D CA 1.658 55.696 54.000 0.063 0.000 0.840 1242 D CB -0.296 40.558 40.800 0.089 0.000 0.947 1242 D HN 0.772 nan 8.370 nan 0.000 0.452 1243 W N 1.579 122.863 121.300 -0.027 0.000 2.407 1243 W HA -0.046 4.614 4.660 0.000 0.000 0.305 1243 W C 1.948 178.427 176.519 -0.067 0.000 1.196 1243 W CA 1.107 58.425 57.345 -0.045 0.000 1.311 1243 W CB -0.115 29.320 29.460 -0.042 0.000 1.135 1243 W HN -0.192 nan 8.180 nan 0.000 0.514 1244 K N 0.005 120.278 120.400 -0.212 0.000 2.074 1244 K HA -0.262 4.058 4.320 0.000 0.000 0.209 1244 K C 2.118 178.435 176.600 -0.472 0.000 1.048 1244 K CA 1.859 57.830 56.287 -0.527 0.000 0.926 1244 K CB -0.331 32.094 32.500 -0.125 0.000 0.713 1244 K HN -0.036 nan 8.250 nan 0.000 0.444 1245 R N 1.623 121.957 120.500 -0.277 0.000 2.115 1245 R HA -0.055 4.285 4.340 0.000 0.000 0.226 1245 R C 1.923 178.064 176.300 -0.265 0.000 1.100 1245 R CA 1.374 57.341 56.100 -0.221 0.000 0.980 1245 R CB -0.193 30.029 30.300 -0.129 0.000 0.875 1245 R HN 0.048 nan 8.270 nan 0.000 0.445 1246 R N -0.169 120.146 120.500 -0.308 0.000 2.235 1246 R HA -0.026 4.314 4.340 0.000 0.000 0.213 1246 R C 2.019 178.075 176.300 -0.405 0.000 1.059 1246 R CA 1.204 57.127 56.100 -0.296 0.000 0.997 1246 R CB -0.070 30.107 30.300 -0.206 0.000 0.884 1246 R HN 0.437 nan 8.270 nan 0.000 0.462 1247 Q N 0.201 119.637 119.800 -0.607 0.000 2.036 1247 Q HA -0.180 4.160 4.340 0.000 0.000 0.195 1247 Q C 1.905 177.673 176.000 -0.387 0.000 0.971 1247 Q CA 1.163 56.605 55.803 -0.602 0.000 0.826 1247 Q CB -0.037 28.136 28.738 -0.943 0.000 0.896 1247 Q HN 0.418 nan 8.270 nan 0.000 0.449 1248 Q N 0.321 119.904 119.800 -0.361 0.000 2.028 1248 Q HA -0.245 4.095 4.340 0.000 0.000 0.213 1248 Q C 2.095 177.963 176.000 -0.220 0.000 1.017 1248 Q CA 2.469 58.120 55.803 -0.253 0.000 0.875 1248 Q CB -0.297 28.314 28.738 -0.211 0.000 0.962 1248 Q HN 0.519 nan 8.270 nan 0.000 0.413 1249 I N -0.129 120.301 120.570 -0.233 0.000 2.361 1249 I HA -0.243 3.927 4.170 0.000 0.000 0.251 1249 I C 2.080 177.987 176.117 -0.350 0.000 1.133 1249 I CA 0.912 62.057 61.300 -0.259 0.000 1.413 1249 I CB -0.259 37.581 38.000 -0.266 0.000 1.073 1249 I HN 0.227 nan 8.210 nan 0.000 0.424 1250 A N -0.852 121.783 122.820 -0.307 0.000 2.208 1250 A HA -0.076 4.244 4.320 0.000 0.000 0.209 1250 A C 2.276 179.757 177.584 -0.173 0.000 1.161 1250 A CA 0.541 52.413 52.037 -0.276 0.000 0.782 1250 A CB -0.746 18.115 19.000 -0.232 0.000 0.816 1250 A HN 0.494 nan 8.150 nan 0.000 0.477 1251 C N -0.372 118.843 119.300 -0.142 0.000 2.500 1251 C HA 0.033 4.493 4.460 0.000 0.000 0.279 1251 C C 1.845 176.888 174.990 0.089 0.000 1.288 1251 C CA 0.800 59.796 59.018 -0.037 0.000 1.710 1251 C CB -0.972 26.726 27.740 -0.071 0.000 2.052 1251 C HN 0.752 nan 8.230 nan 0.000 0.488 1252 I N -0.233 120.342 120.570 0.009 0.000 3.731 1252 I HA 0.396 4.566 4.170 0.000 0.000 0.316 1252 I C 1.176 177.386 176.117 0.156 0.000 1.395 1252 I CA 0.602 61.955 61.300 0.089 0.000 1.294 1252 I CB -1.154 36.796 38.000 -0.083 0.000 1.238 1252 I HN 0.364 nan 8.210 nan 0.000 0.437 1253 G N 1.164 110.008 108.800 0.074 0.000 2.168 1253 G HA2 -0.243 3.717 3.960 0.000 0.000 0.257 1253 G HA3 -0.243 3.717 3.960 0.000 0.000 0.257 1253 G C 0.569 175.252 174.900 -0.362 0.000 0.997 1253 G CA 0.024 45.122 45.100 -0.004 0.000 0.708 1253 G HN 0.908 nan 8.290 nan 0.000 0.520 1254 G N -0.000 108.335 108.800 -0.775 0.000 2.616 1254 G HA2 0.614 4.574 3.960 0.000 0.000 0.268 1254 G HA3 0.614 4.574 3.960 0.000 0.000 0.268 1254 G C -1.528 172.815 174.900 -0.928 0.000 1.213 1254 G CA -0.535 43.541 45.100 -1.706 0.000 0.926 1254 G HN 0.241 nan 8.290 nan 0.000 0.523 1255 P HA 0.060 nan 4.420 nan 0.000 0.254 1255 P C -1.768 175.368 177.300 -0.274 0.000 1.186 1255 P CA -0.668 62.218 63.100 -0.356 0.000 0.868 1255 P CB 0.327 31.903 31.700 -0.207 0.000 0.856 1256 P HA -0.167 nan 4.420 nan 0.000 0.316 1256 P C 0.144 177.384 177.300 -0.100 0.000 1.413 1256 P CA 0.259 63.267 63.100 -0.153 0.000 0.828 1256 P CB 0.081 31.714 31.700 -0.111 0.000 1.787 1257 N N -0.805 117.862 118.700 -0.056 0.000 2.411 1257 N HA -0.157 4.583 4.740 0.000 0.000 0.286 1257 N C -0.625 174.901 175.510 0.027 0.000 1.382 1257 N CA 0.690 53.732 53.050 -0.014 0.000 0.630 1257 N CB -1.271 37.208 38.487 -0.015 0.000 0.904 1257 N HN 0.415 nan 8.380 nan 0.000 0.516 1258 I N 0.336 120.961 120.570 0.092 0.000 2.944 1258 I HA 0.285 4.455 4.170 0.000 0.000 0.330 1258 I C 0.437 176.775 176.117 0.369 0.000 1.482 1258 I CA -0.911 60.569 61.300 0.300 0.000 0.880 1258 I CB 0.174 38.244 38.000 0.117 0.000 1.728 1258 I HN 0.389 nan 8.210 nan 0.000 0.561 1259 C N 2.951 122.324 119.300 0.122 0.000 2.610 1259 C HA 0.239 4.699 4.460 0.000 0.000 0.382 1259 C C 1.831 176.734 174.990 -0.146 0.000 1.287 1259 C CA -0.382 58.630 59.018 -0.009 0.000 1.640 1259 C CB -0.589 27.123 27.740 -0.046 0.000 2.335 1259 C HN 0.668 nan 8.230 nan 0.000 0.577 1260 L N 5.106 126.182 121.223 -0.243 0.000 2.642 1260 L HA -0.019 4.321 4.340 0.000 0.000 0.236 1260 L C 1.972 178.620 176.870 -0.369 0.000 1.169 1260 L CA 1.316 55.888 54.840 -0.447 0.000 0.851 1260 L CB -1.158 40.614 42.059 -0.478 0.000 0.968 1260 L HN 0.757 nan 8.230 nan 0.000 0.453 1261 D N 0.425 120.651 120.400 -0.291 0.000 2.077 1261 D HA -0.182 4.458 4.640 0.000 0.000 0.193 1261 D C 2.150 178.188 176.300 -0.436 0.000 0.989 1261 D CA 1.121 54.944 54.000 -0.295 0.000 0.831 1261 D CB -0.023 40.643 40.800 -0.223 0.000 0.979 1261 D HN 0.334 nan 8.370 nan 0.000 0.449 1262 R N 0.480 120.654 120.500 -0.543 0.000 2.113 1262 R HA -0.119 4.221 4.340 0.000 0.000 0.244 1262 R C 2.648 178.161 176.300 -1.312 0.000 1.142 1262 R CA 0.825 56.318 56.100 -1.012 0.000 0.953 1262 R CB -0.697 29.008 30.300 -0.992 0.000 0.860 1262 R HN 0.248 nan 8.270 nan 0.000 0.438 1263 L N 0.558 121.338 121.223 -0.738 0.000 2.141 1263 L HA -0.138 4.202 4.340 0.000 0.000 0.209 1263 L C 2.595 179.304 176.870 -0.269 0.000 1.094 1263 L CA 1.132 55.760 54.840 -0.353 0.000 0.763 1263 L CB -0.296 41.593 42.059 -0.285 0.000 0.908 1263 L HN 0.313 nan 8.230 nan 0.000 0.437 1264 E N 0.113 120.112 120.200 -0.336 0.000 2.107 1264 E HA -0.181 4.169 4.350 0.000 0.000 0.191 1264 E C 1.815 178.313 176.600 -0.170 0.000 0.982 1264 E CA 0.972 57.232 56.400 -0.234 0.000 0.809 1264 E CB 0.242 29.804 29.700 -0.230 0.000 0.756 1264 E HN 0.474 nan 8.360 nan 0.000 0.459 1265 N N 0.092 118.644 118.700 -0.246 0.000 2.216 1265 N HA -0.132 4.608 4.740 0.000 0.000 0.183 1265 N C 1.429 176.960 175.510 0.034 0.000 1.017 1265 N CA 0.878 53.844 53.050 -0.139 0.000 0.861 1265 N CB -0.344 38.011 38.487 -0.219 0.000 0.986 1265 N HN 0.345 nan 8.380 nan 0.000 0.428 1266 W N 1.847 123.125 121.300 -0.038 0.000 2.381 1266 W HA 0.129 4.789 4.660 0.000 0.000 0.301 1266 W C 2.163 178.670 176.519 -0.021 0.000 1.205 1266 W CA 0.059 57.391 57.345 -0.022 0.000 1.285 1266 W CB -0.966 28.476 29.460 -0.029 0.000 1.133 1266 W HN 0.010 nan 8.180 nan 0.000 0.521 1267 I N -0.240 120.437 120.570 0.179 0.000 2.286 1267 I HA -0.235 3.935 4.170 0.000 0.000 0.245 1267 I C 2.263 178.401 176.117 0.035 0.000 1.104 1267 I CA 1.481 62.819 61.300 0.064 0.000 1.397 1267 I CB -1.111 36.869 38.000 -0.033 0.000 1.072 1267 I HN -0.170 nan 8.210 nan 0.000 0.417 1268 T N -0.123 114.442 114.554 0.018 0.000 2.708 1268 T HA -0.210 4.140 4.350 0.000 0.000 0.266 1268 T C 2.142 176.934 174.700 0.153 0.000 1.037 1268 T CA 1.962 64.090 62.100 0.048 0.000 1.146 1268 T CB -0.258 68.634 68.868 0.040 0.000 0.865 1268 T HN 0.359 nan 8.240 nan 0.000 0.435 1269 S N 0.891 116.678 115.700 0.145 0.000 2.356 1269 S HA -0.103 4.367 4.470 0.000 0.000 0.223 1269 S C 2.052 176.747 174.600 0.159 0.000 1.032 1269 S CA 1.148 59.442 58.200 0.157 0.000 1.005 1269 S CB -0.513 62.787 63.200 0.168 0.000 0.867 1269 S HN 0.317 nan 8.310 nan 0.000 0.449 1270 L N 1.943 123.258 121.223 0.153 0.000 2.046 1270 L HA 0.143 4.483 4.340 0.000 0.000 0.208 1270 L C 2.495 179.474 176.870 0.183 0.000 1.077 1270 L CA 2.229 57.154 54.840 0.142 0.000 0.747 1270 L CB -1.322 40.807 42.059 0.117 0.000 0.896 1270 L HN 0.349 nan 8.230 nan 0.000 0.432 1271 A N -1.049 121.903 122.820 0.220 0.000 2.015 1271 A HA -0.165 4.155 4.320 0.000 0.000 0.219 1271 A C 2.127 179.987 177.584 0.461 0.000 1.163 1271 A CA 1.494 53.761 52.037 0.383 0.000 0.646 1271 A CB -0.535 18.640 19.000 0.291 0.000 0.806 1271 A HN 0.631 nan 8.150 nan 0.000 0.448 1272 E N -0.241 120.184 120.200 0.375 0.000 2.072 1272 E HA -0.100 4.250 4.350 0.000 0.000 0.191 1272 E C 2.244 178.924 176.600 0.134 0.000 0.985 1272 E CA 1.182 57.736 56.400 0.257 0.000 0.801 1272 E CB -0.124 29.692 29.700 0.192 0.000 0.750 1272 E HN 0.567 nan 8.360 nan 0.000 0.452 1273 S N 1.132 116.910 115.700 0.130 0.000 2.344 1273 S HA -0.201 4.269 4.470 0.000 0.000 0.217 1273 S C 1.954 176.594 174.600 0.067 0.000 1.033 1273 S CA 1.106 59.355 58.200 0.082 0.000 1.017 1273 S CB -0.297 62.953 63.200 0.084 0.000 0.941 1273 S HN 0.269 nan 8.310 nan 0.000 0.430 1274 Q N 0.114 119.974 119.800 0.101 0.000 2.197 1274 Q HA -0.182 4.158 4.340 0.000 0.000 0.211 1274 Q C 1.949 177.938 176.000 -0.018 0.000 0.993 1274 Q CA 1.166 57.015 55.803 0.077 0.000 0.883 1274 Q CB -0.353 28.491 28.738 0.177 0.000 0.916 1274 Q HN 0.292 nan 8.270 nan 0.000 0.418 1275 L N 0.414 121.614 121.223 -0.038 0.000 2.313 1275 L HA -0.109 4.231 4.340 0.000 0.000 0.214 1275 L C 1.906 178.722 176.870 -0.090 0.000 1.119 1275 L CA 1.522 56.276 54.840 -0.143 0.000 0.809 1275 L CB -0.066 41.912 42.059 -0.135 0.000 0.933 1275 L HN 0.164 nan 8.230 nan 0.000 0.449 1276 Q N -2.123 117.651 119.800 -0.042 0.000 2.250 1276 Q HA -0.050 4.290 4.340 0.000 0.000 0.200 1276 Q C 1.858 177.839 176.000 -0.032 0.000 0.941 1276 Q CA 1.424 57.204 55.803 -0.038 0.000 0.872 1276 Q CB -0.007 28.720 28.738 -0.018 0.000 0.965 1276 Q HN 0.349 nan 8.270 nan 0.000 0.480 1277 T N 0.860 115.402 114.554 -0.021 0.000 2.915 1277 T HA -0.115 4.236 4.350 0.000 0.000 0.269 1277 T C 1.625 176.309 174.700 -0.026 0.000 1.071 1277 T CA 0.867 62.958 62.100 -0.015 0.000 1.132 1277 T CB -0.037 68.833 68.868 0.002 0.000 0.878 1277 T HN 0.191 nan 8.240 nan 0.000 0.479 1278 R N 0.555 121.026 120.500 -0.048 0.000 2.119 1278 R HA 0.016 4.356 4.340 0.000 0.000 0.222 1278 R C 1.887 178.156 176.300 -0.052 0.000 1.088 1278 R CA 0.906 56.972 56.100 -0.056 0.000 0.984 1278 R CB 0.014 30.255 30.300 -0.100 0.000 0.884 1278 R HN 0.182 nan 8.270 nan 0.000 0.447 1279 Q N -0.114 119.652 119.800 -0.057 0.000 2.472 1279 Q HA -0.013 4.327 4.340 0.000 0.000 0.208 1279 Q C 1.487 177.464 176.000 -0.038 0.000 0.958 1279 Q CA 0.781 56.553 55.803 -0.051 0.000 0.932 1279 Q CB 0.386 29.089 28.738 -0.058 0.000 1.007 1279 Q HN 0.286 nan 8.270 nan 0.000 0.508 1280 Q N -0.614 119.167 119.800 -0.032 0.000 2.178 1280 Q HA 0.111 4.451 4.340 0.000 0.000 0.195 1280 Q C 2.022 178.008 176.000 -0.023 0.000 0.960 1280 Q CA 0.727 56.515 55.803 -0.025 0.000 0.843 1280 Q CB -0.016 28.710 28.738 -0.020 0.000 0.927 1280 Q HN 0.411 nan 8.270 nan 0.000 0.487 1281 I N 1.152 121.710 120.570 -0.021 0.000 2.423 1281 I HA -0.269 3.901 4.170 0.000 0.000 0.254 1281 I C 2.147 178.252 176.117 -0.020 0.000 1.151 1281 I CA 1.200 62.490 61.300 -0.017 0.000 1.421 1281 I CB -0.162 37.831 38.000 -0.011 0.000 1.079 1281 I HN 0.114 nan 8.210 nan 0.000 0.431 1282 K N 0.539 120.923 120.400 -0.026 0.000 2.167 1282 K HA -0.123 4.197 4.320 0.000 0.000 0.203 1282 K C 2.056 178.640 176.600 -0.028 0.000 1.052 1282 K CA 0.667 56.938 56.287 -0.028 0.000 0.956 1282 K CB 0.006 32.485 32.500 -0.034 0.000 0.735 1282 K HN -0.052 nan 8.250 nan 0.000 0.451 1283 K N 1.386 121.770 120.400 -0.027 0.000 2.365 1283 K HA 0.020 4.340 4.320 0.000 0.000 0.199 1283 K C 1.637 178.221 176.600 -0.027 0.000 1.045 1283 K CA 0.699 56.970 56.287 -0.026 0.000 0.962 1283 K CB -0.002 32.483 32.500 -0.024 0.000 0.759 1283 K HN 0.058 nan 8.250 nan 0.000 0.469 1284 L N -0.146 121.061 121.223 -0.027 0.000 2.068 1284 L HA -0.023 4.317 4.340 0.000 0.000 0.204 1284 L C 2.128 178.976 176.870 -0.037 0.000 1.076 1284 L CA 1.078 55.900 54.840 -0.030 0.000 0.753 1284 L CB -0.275 41.770 42.059 -0.024 0.000 0.910 1284 L HN 0.295 nan 8.230 nan 0.000 0.439 1285 E N 0.108 120.288 120.200 -0.033 0.000 2.516 1285 E HA -0.161 4.189 4.350 0.000 0.000 0.199 1285 E C 1.414 177.991 176.600 -0.038 0.000 1.069 1285 E CA 0.288 56.665 56.400 -0.037 0.000 0.876 1285 E CB 0.332 30.014 29.700 -0.030 0.000 0.843 1285 E HN 0.434 nan 8.360 nan 0.000 0.530 1286 E N -0.225 119.954 120.200 -0.035 0.000 2.190 1286 E HA -0.084 4.266 4.350 0.000 0.000 0.191 1286 E C 1.697 178.275 176.600 -0.037 0.000 0.978 1286 E CA 0.414 56.795 56.400 -0.031 0.000 0.839 1286 E CB 0.226 29.911 29.700 -0.025 0.000 0.787 1286 E HN 0.259 nan 8.360 nan 0.000 0.473 1287 L N 0.648 121.843 121.223 -0.047 0.000 2.354 1287 L HA 0.048 4.388 4.340 0.000 0.000 0.212 1287 L C 2.299 179.116 176.870 -0.087 0.000 1.091 1287 L CA 0.912 55.715 54.840 -0.061 0.000 0.828 1287 L CB -0.731 41.290 42.059 -0.063 0.000 0.973 1287 L HN 0.050 nan 8.230 nan 0.000 0.461 1288 Q N -0.192 119.555 119.800 -0.088 0.000 2.515 1288 Q HA -0.198 4.142 4.340 0.000 0.000 0.215 1288 Q C 1.450 177.394 176.000 -0.093 0.000 0.983 1288 Q CA 1.202 56.939 55.803 -0.110 0.000 0.905 1288 Q CB 0.218 28.906 28.738 -0.083 0.000 0.961 1288 Q HN 0.611 nan 8.270 nan 0.000 0.503 1289 Q N -1.843 117.915 119.800 -0.069 0.000 2.288 1289 Q HA 0.074 4.414 4.340 0.000 0.000 0.256 1289 Q C 1.110 177.086 176.000 -0.040 0.000 0.835 1289 Q CA 0.082 55.855 55.803 -0.050 0.000 0.958 1289 Q CB 0.682 29.399 28.738 -0.035 0.000 1.125 1289 Q HN 0.136 nan 8.270 nan 0.000 0.513 1290 K N 0.048 120.423 120.400 -0.042 0.000 2.308 1290 K HA 0.175 4.495 4.320 0.000 0.000 0.197 1290 K C -0.044 176.534 176.600 -0.037 0.000 1.049 1290 K CA 0.473 56.745 56.287 -0.026 0.000 0.991 1290 K CB 1.425 33.917 32.500 -0.013 0.000 0.836 1290 K HN -0.174 nan 8.250 nan 0.000 0.500 1291 V N 0.627 120.498 119.914 -0.072 0.000 2.610 1291 V HA 0.262 4.382 4.120 0.000 0.000 0.298 1291 V C -1.102 174.919 176.094 -0.122 0.000 1.067 1291 V CA -0.768 61.477 62.300 -0.092 0.000 0.894 1291 V CB 1.675 33.396 31.823 -0.169 0.000 1.015 1291 V HN 0.060 nan 8.190 nan 0.000 0.432 1292 S N 3.829 119.468 115.700 -0.102 0.000 2.685 1292 S HA 1.024 5.494 4.470 0.000 0.000 0.282 1292 S C -1.735 172.814 174.600 -0.085 0.000 1.159 1292 S CA -0.415 57.631 58.200 -0.256 0.000 0.833 1292 S CB 2.133 65.213 63.200 -0.200 0.000 1.151 1292 S HN 1.164 nan 8.310 nan 0.000 0.485 1293 Y N -0.840 119.435 120.300 -0.041 0.000 2.774 1293 Y HA 0.495 5.045 4.550 0.000 0.000 0.346 1293 Y C -1.114 174.775 175.900 -0.017 0.000 1.222 1293 Y CA -1.204 56.880 58.100 -0.026 0.000 1.088 1293 Y CB 0.349 38.792 38.460 -0.028 0.000 1.354 1293 Y HN 0.610 nan 8.280 nan 0.000 0.455 1294 K N 0.954 121.512 120.400 0.262 0.000 2.383 1294 K HA 0.443 4.763 4.320 0.000 0.000 0.286 1294 K C 0.750 177.502 176.600 0.253 0.000 1.051 1294 K CA 1.058 57.442 56.287 0.161 0.000 0.974 1294 K CB -0.026 32.533 32.500 0.099 0.000 0.968 1294 K HN 1.374 nan 8.250 nan 0.000 0.475 1295 G N 3.265 112.162 108.800 0.161 0.000 2.148 1295 G HA2 -0.204 3.756 3.960 0.000 0.000 0.203 1295 G HA3 -0.204 3.756 3.960 0.000 0.000 0.203 1295 G C -0.273 174.756 174.900 0.215 0.000 0.993 1295 G CA -0.147 45.062 45.100 0.181 0.000 0.661 1295 G HN 0.728 nan 8.290 nan 0.000 0.518 1296 D N 0.895 121.269 120.400 -0.043 0.000 2.412 1296 D HA 0.302 4.942 4.640 0.000 0.000 0.257 1296 D C -0.232 176.003 176.300 -0.107 0.000 1.217 1296 D CA -1.469 52.286 54.000 -0.408 0.000 0.897 1296 D CB 1.165 41.570 40.800 -0.659 0.000 1.132 1296 D HN 0.173 nan 8.370 nan 0.000 0.493 1297 P HA -0.138 nan 4.420 nan 0.000 0.216 1297 P C 1.693 179.067 177.300 0.123 0.000 1.153 1297 P CA 0.444 63.628 63.100 0.139 0.000 0.848 1297 P CB 0.293 32.073 31.700 0.133 0.000 0.787 1298 I N 0.007 120.579 120.570 0.004 0.000 2.069 1298 I HA -0.211 3.959 4.170 0.000 0.000 0.237 1298 I C 2.445 178.550 176.117 -0.021 0.000 1.053 1298 I CA 1.875 63.169 61.300 -0.010 0.000 1.311 1298 I CB -1.970 35.985 38.000 -0.074 0.000 1.030 1298 I HN -0.074 nan 8.210 nan 0.000 0.398 1299 V N 0.836 120.701 119.914 -0.082 0.000 2.511 1299 V HA -0.263 3.857 4.120 0.000 0.000 0.257 1299 V C 1.689 177.732 176.094 -0.086 0.000 1.088 1299 V CA 2.191 64.440 62.300 -0.086 0.000 1.098 1299 V CB -1.531 30.224 31.823 -0.114 0.000 0.674 1299 V HN 0.774 nan 8.190 nan 0.000 0.470 1300 Q N -2.114 117.617 119.800 -0.116 0.000 2.175 1300 Q HA 0.344 4.684 4.340 0.000 0.000 0.225 1300 Q C 1.078 176.843 176.000 -0.391 0.000 0.837 1300 Q CA 0.022 55.688 55.803 -0.228 0.000 1.032 1300 Q CB 0.178 28.749 28.738 -0.277 0.000 1.137 1300 Q HN 0.734 nan 8.270 nan 0.000 0.483 1301 H N -0.947 118.107 119.070 -0.027 0.000 3.710 1301 H HA 0.193 4.749 4.556 0.000 0.000 0.245 1301 H C 1.329 176.645 175.328 -0.020 0.000 1.011 1301 H CA -0.098 55.938 56.048 -0.019 0.000 1.098 1301 H CB 0.616 30.367 29.762 -0.017 0.000 1.406 1301 H HN 0.092 nan 8.280 nan 0.000 0.657 1302 R N 1.786 122.338 120.500 0.087 0.000 2.092 1302 R HA -0.020 4.320 4.340 0.000 0.000 0.231 1302 R C -1.195 175.117 176.300 0.020 0.000 1.119 1302 R CA 0.749 56.872 56.100 0.038 0.000 0.970 1302 R CB -0.914 29.391 30.300 0.009 0.000 0.864 1302 R HN 0.260 nan 8.270 nan 0.000 0.440 1303 P HA -0.108 nan 4.420 nan 0.000 0.217 1303 P C 1.507 178.814 177.300 0.012 0.000 1.150 1303 P CA 0.883 63.983 63.100 0.000 0.000 0.832 1303 P CB -0.077 31.615 31.700 -0.014 0.000 0.787 1304 M N -0.837 118.776 119.600 0.022 0.000 2.066 1304 M HA -0.111 4.369 4.480 0.000 0.000 0.259 1304 M C 2.131 178.455 176.300 0.040 0.000 1.074 1304 M CA 1.878 57.199 55.300 0.036 0.000 1.114 1304 M CB -1.701 30.939 32.600 0.067 0.000 1.306 1304 M HN -0.099 nan 8.290 nan 0.000 0.411 1305 L N -0.671 120.580 121.223 0.048 0.000 2.012 1305 L HA -0.246 4.094 4.340 0.000 0.000 0.210 1305 L C 2.505 179.390 176.870 0.026 0.000 1.073 1305 L CA 1.238 56.099 54.840 0.035 0.000 0.748 1305 L CB -0.892 41.184 42.059 0.028 0.000 0.891 1305 L HN 0.308 nan 8.230 nan 0.000 0.431 1306 E N 0.425 120.637 120.200 0.020 0.000 2.035 1306 E HA -0.319 4.031 4.350 0.000 0.000 0.204 1306 E C 1.988 178.602 176.600 0.023 0.000 1.025 1306 E CA 1.869 58.278 56.400 0.014 0.000 0.835 1306 E CB -0.255 29.450 29.700 0.009 0.000 0.764 1306 E HN 0.480 nan 8.360 nan 0.000 0.457 1307 E N 0.145 120.360 120.200 0.025 0.000 2.108 1307 E HA -0.269 4.081 4.350 0.000 0.000 0.203 1307 E C 2.258 178.880 176.600 0.037 0.000 1.022 1307 E CA 1.392 57.810 56.400 0.029 0.000 0.823 1307 E CB -0.012 29.703 29.700 0.025 0.000 0.744 1307 E HN 0.084 nan 8.360 nan 0.000 0.456 1308 R N -0.033 120.488 120.500 0.036 0.000 2.070 1308 R HA -0.165 4.175 4.340 0.000 0.000 0.233 1308 R C 2.588 178.917 176.300 0.049 0.000 1.137 1308 R CA 1.453 57.577 56.100 0.040 0.000 0.945 1308 R CB -0.587 29.735 30.300 0.036 0.000 0.845 1308 R HN 0.310 nan 8.270 nan 0.000 0.430 1309 I N 0.688 121.285 120.570 0.046 0.000 2.315 1309 I HA -0.207 3.963 4.170 0.000 0.000 0.248 1309 I C 2.070 178.240 176.117 0.087 0.000 1.117 1309 I CA 1.103 62.437 61.300 0.057 0.000 1.404 1309 I CB -0.061 37.958 38.000 0.032 0.000 1.071 1309 I HN -0.125 nan 8.210 nan 0.000 0.419 1310 V N 0.677 120.637 119.914 0.075 0.000 2.332 1310 V HA -0.300 3.820 4.120 0.000 0.000 0.248 1310 V C 2.504 178.680 176.094 0.137 0.000 1.055 1310 V CA 2.106 64.472 62.300 0.109 0.000 1.038 1310 V CB -0.791 31.077 31.823 0.076 0.000 0.651 1310 V HN 0.518 nan 8.190 nan 0.000 0.450 1311 E N 0.665 120.920 120.200 0.092 0.000 2.021 1311 E HA -0.244 4.106 4.350 0.000 0.000 0.200 1311 E C 2.081 178.735 176.600 0.090 0.000 1.015 1311 E CA 1.949 58.395 56.400 0.075 0.000 0.824 1311 E CB -0.676 29.055 29.700 0.053 0.000 0.762 1311 E HN 0.473 nan 8.360 nan 0.000 0.454 1312 L N -0.401 120.879 121.223 0.096 0.000 2.034 1312 L HA -0.239 4.101 4.340 0.000 0.000 0.217 1312 L C 2.546 179.502 176.870 0.143 0.000 1.077 1312 L CA 1.866 56.767 54.840 0.101 0.000 0.769 1312 L CB -0.585 41.537 42.059 0.105 0.000 0.890 1312 L HN 0.248 nan 8.230 nan 0.000 0.435 1313 F N 0.514 120.477 119.950 0.022 0.000 2.113 1313 F HA -0.183 4.344 4.527 0.000 0.000 0.297 1313 F C 2.796 178.597 175.800 0.001 0.000 1.103 1313 F CA 1.534 59.547 58.000 0.021 0.000 1.248 1313 F CB -0.356 38.672 39.000 0.046 0.000 0.999 1313 F HN -0.124 nan 8.300 nan 0.000 0.475 1314 R N 0.439 120.998 120.500 0.100 0.000 2.113 1314 R HA -0.239 4.101 4.340 0.000 0.000 0.244 1314 R C 1.982 178.217 176.300 -0.109 0.000 1.142 1314 R CA 2.272 58.357 56.100 -0.025 0.000 0.953 1314 R CB -0.395 29.931 30.300 0.044 0.000 0.860 1314 R HN 0.345 nan 8.270 nan 0.000 0.438 1315 N N 0.534 119.197 118.700 -0.062 0.000 2.148 1315 N HA -0.160 4.580 4.740 0.000 0.000 0.186 1315 N C 1.788 177.232 175.510 -0.110 0.000 1.031 1315 N CA 1.030 54.042 53.050 -0.064 0.000 0.848 1315 N CB -0.614 37.858 38.487 -0.024 0.000 1.005 1315 N HN 0.165 nan 8.380 nan 0.000 0.427 1316 L N 1.135 122.286 121.223 -0.119 0.000 2.051 1316 L HA -0.119 4.221 4.340 0.000 0.000 0.214 1316 L C 2.169 178.882 176.870 -0.262 0.000 1.076 1316 L CA 1.580 56.332 54.840 -0.147 0.000 0.758 1316 L CB -0.511 41.484 42.059 -0.106 0.000 0.890 1316 L HN 0.053 nan 8.230 nan 0.000 0.433 1317 M N -0.524 118.805 119.600 -0.451 0.000 2.080 1317 M HA -0.234 4.246 4.480 0.000 0.000 0.260 1317 M C 2.288 178.408 176.300 -0.299 0.000 1.068 1317 M CA 1.860 56.836 55.300 -0.540 0.000 1.109 1317 M CB -0.895 31.238 32.600 -0.778 0.000 1.342 1317 M HN 0.314 nan 8.290 nan 0.000 0.405 1318 K N -0.583 119.693 120.400 -0.207 0.000 2.026 1318 K HA -0.097 4.223 4.320 0.000 0.000 0.208 1318 K C 1.994 178.583 176.600 -0.019 0.000 1.048 1318 K CA 1.827 58.060 56.287 -0.091 0.000 0.929 1318 K CB -0.259 32.206 32.500 -0.058 0.000 0.713 1318 K HN 0.246 nan 8.250 nan 0.000 0.439 1319 S N 1.161 116.831 115.700 -0.050 0.000 2.399 1319 S HA -0.134 4.337 4.470 0.000 0.000 0.231 1319 S C 2.046 176.624 174.600 -0.038 0.000 1.022 1319 S CA 1.140 59.322 58.200 -0.030 0.000 0.983 1319 S CB -0.220 62.956 63.200 -0.040 0.000 0.803 1319 S HN 0.416 nan 8.310 nan 0.000 0.480 1320 A N 0.483 123.255 122.820 -0.079 0.000 2.216 1320 A HA 0.119 4.439 4.320 0.000 0.000 0.214 1320 A C 0.541 178.114 177.584 -0.018 0.000 1.160 1320 A CA 0.404 52.379 52.037 -0.104 0.000 0.725 1320 A CB -0.494 18.395 19.000 -0.185 0.000 0.784 1320 A HN 0.376 nan 8.150 nan 0.000 0.472 1321 F N 1.266 121.114 119.950 -0.170 0.000 2.390 1321 F HA 0.473 5.000 4.527 0.000 0.000 0.361 1321 F C 0.146 175.863 175.800 -0.139 0.000 1.124 1321 F CA -1.505 56.405 58.000 -0.149 0.000 1.149 1321 F CB 0.936 39.865 39.000 -0.118 0.000 1.160 1321 F HN 0.091 nan 8.300 nan 0.000 0.501 1322 V N 3.667 123.384 119.914 -0.329 0.000 3.119 1322 V HA 0.716 4.836 4.120 0.000 0.000 0.311 1322 V C -1.166 174.637 176.094 -0.484 0.000 1.259 1322 V CA -1.030 61.065 62.300 -0.343 0.000 1.067 1322 V CB 1.649 33.378 31.823 -0.156 0.000 1.123 1322 V HN 0.228 nan 8.190 nan 0.000 0.463 1323 V N 1.302 121.024 119.914 -0.320 0.000 2.275 1323 V HA 0.344 4.465 4.120 0.000 0.000 0.272 1323 V C 1.229 177.265 176.094 -0.097 0.000 1.028 1323 V CA 0.461 62.536 62.300 -0.374 0.000 0.810 1323 V CB 0.077 31.659 31.823 -0.403 0.000 1.043 1323 V HN 1.099 nan 8.190 nan 0.000 0.453 1324 E N 4.652 124.799 120.200 -0.090 0.000 2.038 1324 E HA -0.115 4.235 4.350 0.000 0.000 0.195 1324 E C 0.722 177.350 176.600 0.047 0.000 1.000 1324 E CA 1.183 57.598 56.400 0.024 0.000 0.803 1324 E CB 0.309 29.986 29.700 -0.038 0.000 0.750 1324 E HN 0.591 nan 8.360 nan 0.000 0.448 1325 R N 1.101 121.595 120.500 -0.011 0.000 2.451 1325 R HA 0.212 4.552 4.340 0.000 0.000 0.307 1325 R C -0.703 175.585 176.300 -0.021 0.000 0.965 1325 R CA -0.738 55.360 56.100 -0.004 0.000 0.865 1325 R CB 1.672 31.980 30.300 0.014 0.000 1.174 1325 R HN 0.147 nan 8.270 nan 0.000 0.455 1326 Q N 2.168 121.945 119.800 -0.039 0.000 2.540 1326 Q HA 0.085 4.425 4.340 0.000 0.000 0.256 1326 Q C -2.106 173.896 176.000 0.002 0.000 1.084 1326 Q CA -1.292 54.484 55.803 -0.044 0.000 0.956 1326 Q CB 0.033 28.729 28.738 -0.070 0.000 1.303 1326 Q HN 0.283 nan 8.270 nan 0.000 0.509 1327 P HA 0.060 nan 4.420 nan 0.000 0.267 1327 P C -0.747 176.507 177.300 -0.076 0.000 1.209 1327 P CA 0.079 63.163 63.100 -0.027 0.000 0.763 1327 P CB 0.451 32.052 31.700 -0.166 0.000 0.816 1328 C N 5.200 124.506 119.300 0.010 0.000 3.046 1328 C HA 0.370 4.830 4.460 0.000 0.000 0.388 1328 C C -0.488 174.580 174.990 0.129 0.000 1.041 1328 C CA -0.702 58.327 59.018 0.018 0.000 1.241 1328 C CB 0.370 28.124 27.740 0.023 0.000 1.638 1328 C HN 0.524 nan 8.230 nan 0.000 0.539 1329 M N 7.800 127.478 119.600 0.131 0.000 2.303 1329 M HA 0.183 4.663 4.480 0.000 0.000 0.350 1329 M C -0.973 175.414 176.300 0.145 0.000 1.518 1329 M CA -0.653 54.771 55.300 0.208 0.000 1.070 1329 M CB 0.740 33.473 32.600 0.223 0.000 1.910 1329 M HN 0.538 nan 8.290 nan 0.000 0.458 1330 P HA -0.191 nan 4.420 nan 0.000 0.222 1330 P C 0.807 178.110 177.300 0.006 0.000 1.142 1330 P CA 1.448 64.580 63.100 0.053 0.000 0.788 1330 P CB 0.118 31.847 31.700 0.048 0.000 0.767 1331 M N -1.743 117.860 119.600 0.006 0.000 2.428 1331 M HA 0.079 4.559 4.480 0.000 0.000 0.239 1331 M C 0.545 176.617 176.300 -0.381 0.000 1.121 1331 M CA 0.628 55.844 55.300 -0.140 0.000 1.019 1331 M CB -0.625 31.905 32.600 -0.116 0.000 1.485 1331 M HN 0.063 nan 8.290 nan 0.000 0.484 1332 H N 0.145 119.185 119.070 -0.050 0.000 2.716 1332 H HA 0.231 4.787 4.556 0.000 0.000 0.230 1332 H C -1.700 173.556 175.328 -0.120 0.000 1.401 1332 H CA -1.008 54.981 56.048 -0.098 0.000 1.168 1332 H CB 0.725 30.433 29.762 -0.089 0.000 1.935 1332 H HN 0.075 nan 8.280 nan 0.000 0.538 1333 P HA -0.179 nan 4.420 nan 0.000 0.216 1333 P C 0.674 177.908 177.300 -0.110 0.000 1.154 1333 P CA 1.300 64.362 63.100 -0.063 0.000 0.865 1333 P CB 0.487 32.144 31.700 -0.072 0.000 0.789 1334 D N -0.909 119.384 120.400 -0.178 0.000 2.336 1334 D HA 0.015 4.655 4.640 0.000 0.000 0.229 1334 D C 0.682 176.624 176.300 -0.598 0.000 1.061 1334 D CA 0.471 54.296 54.000 -0.291 0.000 0.875 1334 D CB -0.020 40.614 40.800 -0.277 0.000 0.904 1334 D HN 0.098 nan 8.370 nan 0.000 0.525 1335 R N 1.368 121.610 120.500 -0.430 0.000 2.835 1335 R HA 0.242 4.582 4.340 0.000 0.000 0.290 1335 R C -2.622 173.601 176.300 -0.129 0.000 1.410 1335 R CA -1.594 54.193 56.100 -0.522 0.000 1.590 1335 R CB 1.064 31.172 30.300 -0.320 0.000 1.288 1335 R HN 0.115 nan 8.270 nan 0.000 0.637 1336 P HA 0.177 nan 4.420 nan 0.000 0.278 1336 P C 0.597 178.003 177.300 0.177 0.000 1.238 1336 P CA -0.234 62.926 63.100 0.099 0.000 0.794 1336 P CB 1.432 33.194 31.700 0.103 0.000 0.955 1337 L N -1.145 120.093 121.223 0.025 0.000 5.081 1337 L HA -0.161 4.179 4.340 0.000 0.000 0.423 1337 L C -0.164 176.693 176.870 -0.022 0.000 1.019 1337 L CA 0.422 55.242 54.840 -0.032 0.000 1.223 1337 L CB -1.735 40.297 42.059 -0.045 0.000 1.940 1337 L HN 0.191 nan 8.230 nan 0.000 0.675 1338 V N 1.838 121.764 119.914 0.020 0.000 2.376 1338 V HA 0.541 4.661 4.120 0.000 0.000 0.287 1338 V C 0.073 176.119 176.094 -0.080 0.000 1.015 1338 V CA -0.166 62.140 62.300 0.010 0.000 0.834 1338 V CB 1.876 33.771 31.823 0.121 0.000 1.001 1338 V HN 0.144 nan 8.190 nan 0.000 0.428 1339 I N 4.371 124.865 120.570 -0.126 0.000 2.545 1339 I HA 0.501 4.671 4.170 0.000 0.000 0.292 1339 I C -0.234 175.836 176.117 -0.078 0.000 1.040 1339 I CA -0.790 60.423 61.300 -0.145 0.000 1.068 1339 I CB 2.234 40.054 38.000 -0.300 0.000 1.251 1339 I HN 0.429 nan 8.210 nan 0.000 0.424 1340 K N 4.730 125.110 120.400 -0.034 0.000 2.248 1340 K HA 0.312 4.632 4.320 0.000 0.000 0.281 1340 K C 0.006 176.655 176.600 0.083 0.000 1.054 1340 K CA -0.427 55.870 56.287 0.015 0.000 0.903 1340 K CB 0.931 33.425 32.500 -0.010 0.000 1.077 1340 K HN 0.762 nan 8.250 nan 0.000 0.474 1341 T N 1.428 116.054 114.554 0.120 0.000 2.908 1341 T HA 0.219 4.569 4.350 0.000 0.000 0.301 1341 T C 1.099 175.875 174.700 0.126 0.000 1.019 1341 T CA 0.337 62.536 62.100 0.165 0.000 1.152 1341 T CB 0.679 69.680 68.868 0.222 0.000 0.966 1341 T HN 0.916 nan 8.240 nan 0.000 0.540 1342 G N 1.766 110.644 108.800 0.130 0.000 2.213 1342 G HA2 -0.202 3.758 3.960 0.000 0.000 0.236 1342 G HA3 -0.202 3.758 3.960 0.000 0.000 0.236 1342 G C 0.021 174.982 174.900 0.103 0.000 0.991 1342 G CA -0.188 44.969 45.100 0.096 0.000 0.629 1342 G HN 1.081 nan 8.290 nan 0.000 0.517 1343 V N 1.156 121.155 119.914 0.140 0.000 2.539 1343 V HA 0.583 4.703 4.120 0.000 0.000 0.292 1343 V C 0.588 176.806 176.094 0.207 0.000 1.045 1343 V CA -0.462 61.933 62.300 0.159 0.000 0.945 1343 V CB 1.802 33.724 31.823 0.166 0.000 0.993 1343 V HN 0.402 nan 8.190 nan 0.000 0.464 1344 Q N 2.548 122.438 119.800 0.151 0.000 2.274 1344 Q HA 0.560 4.900 4.340 0.000 0.000 0.256 1344 Q C -1.047 175.044 176.000 0.152 0.000 0.927 1344 Q CA -0.395 55.452 55.803 0.073 0.000 0.939 1344 Q CB 1.068 29.842 28.738 0.061 0.000 1.201 1344 Q HN 0.695 nan 8.270 nan 0.000 0.426 1345 F N -0.189 119.805 119.950 0.074 0.000 2.790 1345 F HA 0.841 5.368 4.527 0.000 0.000 0.386 1345 F C -0.586 175.245 175.800 0.050 0.000 1.206 1345 F CA -0.976 57.058 58.000 0.056 0.000 1.109 1345 F CB 1.183 40.210 39.000 0.045 0.000 1.469 1345 F HN 0.342 nan 8.300 nan 0.000 0.513 1346 T N -1.723 113.050 114.554 0.364 0.000 3.395 1346 T HA 0.483 4.833 4.350 0.000 0.000 0.330 1346 T C -0.977 173.902 174.700 0.298 0.000 1.076 1346 T CA -0.400 61.832 62.100 0.220 0.000 1.070 1346 T CB 0.889 69.797 68.868 0.068 0.000 1.119 1346 T HN 1.081 nan 8.240 nan 0.000 0.462 1347 T N 1.356 116.116 114.554 0.343 0.000 2.841 1347 T HA 0.821 5.171 4.350 0.000 0.000 0.276 1347 T C -1.497 173.366 174.700 0.272 0.000 1.003 1347 T CA -0.746 61.527 62.100 0.288 0.000 0.995 1347 T CB 1.536 70.625 68.868 0.368 0.000 1.260 1347 T HN 0.971 nan 8.240 nan 0.000 0.581 1348 K N 1.385 121.879 120.400 0.157 0.000 2.579 1348 K HA 0.501 4.821 4.320 0.000 0.000 0.257 1348 K C -1.404 175.148 176.600 -0.079 0.000 0.950 1348 K CA -0.740 55.622 56.287 0.125 0.000 0.862 1348 K CB 1.286 33.832 32.500 0.077 0.000 1.317 1348 K HN 0.557 nan 8.250 nan 0.000 0.436 1349 V N 0.622 120.504 119.914 -0.054 0.000 2.975 1349 V HA 0.799 4.919 4.120 0.000 0.000 0.318 1349 V C -0.554 175.499 176.094 -0.068 0.000 1.077 1349 V CA -0.900 61.263 62.300 -0.227 0.000 1.000 1349 V CB 1.657 33.308 31.823 -0.287 0.000 1.066 1349 V HN 0.905 nan 8.190 nan 0.000 0.452 1350 R N 1.494 121.933 120.500 -0.101 0.000 2.626 1350 R HA 0.692 5.032 4.340 0.000 0.000 0.274 1350 R C -2.196 174.123 176.300 0.031 0.000 1.031 1350 R CA -0.698 55.378 56.100 -0.039 0.000 0.898 1350 R CB 1.889 32.122 30.300 -0.112 0.000 1.222 1350 R HN 0.790 nan 8.270 nan 0.000 0.455 1351 L N 6.113 127.355 121.223 0.031 0.000 2.280 1351 L HA 0.407 4.747 4.340 0.000 0.000 0.287 1351 L C -0.439 176.358 176.870 -0.121 0.000 1.023 1351 L CA -0.325 54.514 54.840 -0.002 0.000 0.819 1351 L CB 1.479 43.502 42.059 -0.061 0.000 1.212 1351 L HN 0.869 nan 8.230 nan 0.000 0.420 1352 L N 5.595 126.725 121.223 -0.156 0.000 2.660 1352 L HA 0.157 4.497 4.340 0.000 0.000 0.238 1352 L C 0.070 176.808 176.870 -0.220 0.000 1.161 1352 L CA 0.012 54.733 54.840 -0.197 0.000 0.937 1352 L CB -0.156 41.772 42.059 -0.219 0.000 1.122 1352 L HN 0.352 nan 8.230 nan 0.000 0.435 1353 V N 0.602 120.340 119.914 -0.294 0.000 2.225 1353 V HA 0.091 4.211 4.120 0.000 0.000 0.264 1353 V C 0.641 176.447 176.094 -0.480 0.000 1.067 1353 V CA -0.611 61.400 62.300 -0.482 0.000 0.903 1353 V CB 0.850 32.262 31.823 -0.685 0.000 1.136 1353 V HN 0.194 nan 8.190 nan 0.000 0.456 1354 K N 3.708 123.975 120.400 -0.221 0.000 2.062 1354 K HA 0.124 4.444 4.320 0.000 0.000 0.251 1354 K C -1.058 175.658 176.600 0.193 0.000 1.113 1354 K CA 0.085 56.339 56.287 -0.055 0.000 1.096 1354 K CB -0.115 32.371 32.500 -0.024 0.000 1.099 1354 K HN 0.273 nan 8.250 nan 0.000 0.350 1355 F N 4.759 124.680 119.950 -0.049 0.000 2.402 1355 F HA 0.304 4.831 4.527 0.000 0.000 0.355 1355 F C -1.561 174.220 175.800 -0.031 0.000 1.123 1355 F CA -3.040 54.937 58.000 -0.037 0.000 1.021 1355 F CB 1.541 40.495 39.000 -0.077 0.000 1.160 1355 F HN 0.351 nan 8.300 nan 0.000 0.451 1356 P HA -0.161 nan 4.420 nan 0.000 0.218 1356 P C 0.968 178.321 177.300 0.090 0.000 1.148 1356 P CA 1.444 64.595 63.100 0.084 0.000 0.822 1356 P CB 0.427 32.159 31.700 0.053 0.000 0.784 1357 E N -0.377 119.884 120.200 0.102 0.000 2.072 1357 E HA -0.116 4.234 4.350 0.000 0.000 0.191 1357 E C 1.905 178.597 176.600 0.154 0.000 0.985 1357 E CA 0.913 57.393 56.400 0.133 0.000 0.801 1357 E CB -1.256 28.563 29.700 0.199 0.000 0.750 1357 E HN 0.240 nan 8.360 nan 0.000 0.452 1358 L N 0.911 122.217 121.223 0.138 0.000 2.275 1358 L HA -0.067 4.274 4.340 0.000 0.000 0.215 1358 L C 0.838 177.747 176.870 0.064 0.000 1.119 1358 L CA -0.033 54.864 54.840 0.096 0.000 0.790 1358 L CB -0.693 41.393 42.059 0.046 0.000 0.919 1358 L HN 0.136 nan 8.230 nan 0.000 0.443 1359 N N -0.024 118.701 118.700 0.042 0.000 2.217 1359 N HA -0.236 4.504 4.740 0.000 0.000 0.268 1359 N C 0.188 175.726 175.510 0.047 0.000 1.290 1359 N CA 0.612 53.632 53.050 -0.051 0.000 0.831 1359 N CB -0.017 38.443 38.487 -0.045 0.000 1.057 1359 N HN 0.142 nan 8.380 nan 0.000 0.481 1360 Y N -0.644 119.674 120.300 0.030 0.000 4.784 1360 Y HA -0.331 4.219 4.550 0.000 0.000 0.278 1360 Y C 1.533 177.455 175.900 0.036 0.000 0.980 1360 Y CA 1.384 59.500 58.100 0.027 0.000 1.845 1360 Y CB -1.813 36.662 38.460 0.024 0.000 1.177 1360 Y HN 0.791 nan 8.280 nan 0.000 0.460 1361 Q N 0.627 120.521 119.800 0.157 0.000 2.444 1361 Q HA 0.204 4.544 4.340 0.000 0.000 0.206 1361 Q C -0.235 175.826 176.000 0.101 0.000 0.948 1361 Q CA 0.331 56.214 55.803 0.134 0.000 0.946 1361 Q CB 0.196 29.017 28.738 0.139 0.000 1.027 1361 Q HN 0.490 nan 8.270 nan 0.000 0.513 1362 L N 1.752 123.017 121.223 0.069 0.000 2.376 1362 L HA 0.451 4.791 4.340 0.000 0.000 0.275 1362 L C -0.703 176.205 176.870 0.064 0.000 0.987 1362 L CA -0.604 54.264 54.840 0.046 0.000 0.828 1362 L CB 1.849 43.900 42.059 -0.013 0.000 1.249 1362 L HN -0.091 nan 8.230 nan 0.000 0.409 1363 K N 5.034 125.483 120.400 0.082 0.000 2.240 1363 K HA 0.444 4.764 4.320 0.000 0.000 0.271 1363 K C -0.868 175.818 176.600 0.143 0.000 1.018 1363 K CA -0.663 55.685 56.287 0.101 0.000 0.874 1363 K CB 1.134 33.692 32.500 0.096 0.000 1.098 1363 K HN 0.414 nan 8.250 nan 0.000 0.458 1364 I N 3.855 124.556 120.570 0.218 0.000 2.385 1364 I HA 0.267 4.437 4.170 0.000 0.000 0.294 1364 I C 0.048 176.404 176.117 0.398 0.000 0.988 1364 I CA -0.467 61.055 61.300 0.369 0.000 1.265 1364 I CB 1.163 39.533 38.000 0.616 0.000 1.388 1364 I HN 0.575 nan 8.210 nan 0.000 0.480 1365 K N 5.661 126.236 120.400 0.291 0.000 2.507 1365 K HA 0.421 4.741 4.320 0.000 0.000 0.253 1365 K C -1.248 175.376 176.600 0.041 0.000 0.969 1365 K CA -0.454 55.946 56.287 0.188 0.000 0.908 1365 K CB 1.799 34.373 32.500 0.124 0.000 1.127 1365 K HN 0.457 nan 8.250 nan 0.000 0.437 1366 V N 6.404 126.238 119.914 -0.133 0.000 2.432 1366 V HA 0.242 4.362 4.120 0.000 0.000 0.271 1366 V C 0.333 176.252 176.094 -0.292 0.000 1.046 1366 V CA -0.364 61.618 62.300 -0.529 0.000 0.945 1366 V CB -0.031 31.106 31.823 -1.144 0.000 0.992 1366 V HN 1.009 nan 8.190 nan 0.000 0.471 1367 C N 6.287 125.443 119.300 -0.239 0.000 2.560 1367 C HA 0.920 5.380 4.460 0.000 0.000 0.359 1367 C C -0.159 174.755 174.990 -0.128 0.000 2.885 1367 C CA -0.704 58.241 59.018 -0.121 0.000 1.861 1367 C CB 0.964 28.673 27.740 -0.053 0.000 2.588 1367 C HN 1.118 nan 8.230 nan 0.000 0.397 1368 I N 0.628 121.161 120.570 -0.060 0.000 2.710 1368 I HA 0.412 4.582 4.170 0.000 0.000 0.283 1368 I C -2.009 174.105 176.117 -0.004 0.000 1.355 1368 I CA 0.400 61.675 61.300 -0.042 0.000 1.094 1368 I CB 0.920 38.903 38.000 -0.027 0.000 1.365 1368 I HN 0.963 nan 8.210 nan 0.000 0.435 1369 D N 5.276 125.677 120.400 0.002 0.000 7.547 1369 D HA -0.133 4.507 4.640 0.000 0.000 0.255 1369 D C -0.804 175.509 176.300 0.022 0.000 2.090 1369 D CA 1.055 55.072 54.000 0.029 0.000 1.914 1369 D CB 0.027 40.866 40.800 0.065 0.000 0.809 1369 D HN 0.840 nan 8.370 nan 0.000 0.513 1380 G N 0.958 109.791 108.800 0.055 0.000 2.382 1380 G HA2 -0.354 3.606 3.960 0.000 0.000 0.259 1380 G HA3 -0.354 3.606 3.960 0.000 0.000 0.259 1380 G C 0.073 175.020 174.900 0.078 0.000 1.009 1380 G CA 1.037 46.170 45.100 0.056 0.000 0.625 1380 G HN 0.678 nan 8.290 nan 0.000 0.541 1381 S N 0.515 116.277 115.700 0.104 0.000 2.572 1381 S HA 0.358 4.828 4.470 0.000 0.000 0.267 1381 S C 0.837 175.550 174.600 0.188 0.000 1.361 1381 S CA -0.050 58.248 58.200 0.164 0.000 1.009 1381 S CB 0.391 63.708 63.200 0.195 0.000 0.888 1381 S HN 0.578 nan 8.310 nan 0.000 0.553 1382 R N 1.370 122.041 120.500 0.285 0.000 2.248 1382 R HA 0.229 4.569 4.340 0.000 0.000 0.328 1382 R C -0.052 176.398 176.300 0.251 0.000 1.067 1382 R CA -0.225 55.989 56.100 0.189 0.000 0.924 1382 R CB 0.381 30.791 30.300 0.183 0.000 1.013 1382 R HN 0.430 nan 8.270 nan 0.000 0.454 1383 K N 3.572 124.013 120.400 0.068 0.000 2.234 1383 K HA 0.225 4.545 4.320 0.000 0.000 0.282 1383 K C -0.865 175.734 176.600 -0.003 0.000 1.039 1383 K CA -0.274 56.082 56.287 0.115 0.000 0.928 1383 K CB 0.551 33.086 32.500 0.058 0.000 1.039 1383 K HN 0.226 nan 8.250 nan 0.000 0.470 1384 F N 1.598 121.451 119.950 -0.161 0.000 2.544 1384 F HA 0.469 4.996 4.527 0.000 0.000 0.378 1384 F C -0.106 175.648 175.800 -0.078 0.000 1.112 1384 F CA -0.956 56.966 58.000 -0.131 0.000 1.115 1384 F CB 1.151 40.033 39.000 -0.196 0.000 1.436 1384 F HN 0.556 nan 8.300 nan 0.000 0.496 1385 N N -0.520 118.283 118.700 0.171 0.000 2.554 1385 N HA 0.412 5.152 4.740 0.000 0.000 0.271 1385 N C -1.616 173.951 175.510 0.095 0.000 1.081 1385 N CA -0.520 52.582 53.050 0.087 0.000 0.994 1385 N CB 2.072 40.584 38.487 0.041 0.000 1.641 1385 N HN 0.266 nan 8.380 nan 0.000 0.511 1386 I N 2.346 122.958 120.570 0.071 0.000 2.823 1386 I HA 0.360 4.530 4.170 0.000 0.000 0.290 1386 I C -0.186 175.957 176.117 0.044 0.000 1.091 1386 I CA -0.276 61.070 61.300 0.077 0.000 1.365 1386 I CB 0.479 38.509 38.000 0.051 0.000 1.427 1386 I HN 0.247 nan 8.210 nan 0.000 0.583 1387 L N 2.653 123.894 121.223 0.030 0.000 2.359 1387 L HA 0.867 5.207 4.340 0.000 0.000 0.256 1387 L C 0.279 177.147 176.870 -0.003 0.000 1.026 1387 L CA -0.717 54.132 54.840 0.015 0.000 0.828 1387 L CB 1.706 43.777 42.059 0.021 0.000 1.406 1387 L HN 0.903 nan 8.230 nan 0.000 0.413 1388 G N 0.269 109.073 108.800 0.007 0.000 2.445 1388 G HA2 -0.185 3.775 3.960 0.000 0.000 0.212 1388 G HA3 -0.185 3.775 3.960 0.000 0.000 0.212 1388 G C -0.281 174.637 174.900 0.030 0.000 1.217 1388 G CA -0.338 44.768 45.100 0.009 0.000 1.002 1388 G HN 0.547 nan 8.290 nan 0.000 0.574 1389 T N 2.069 116.648 114.554 0.042 0.000 3.462 1389 T HA 0.233 4.583 4.350 0.000 0.000 0.257 1389 T C 1.576 176.340 174.700 0.107 0.000 1.015 1389 T CA 0.760 62.893 62.100 0.055 0.000 1.135 1389 T CB 0.135 69.028 68.868 0.042 0.000 1.061 1389 T HN 0.754 nan 8.240 nan 0.000 0.772 1390 N N 2.706 121.464 118.700 0.098 0.000 2.205 1390 N HA -0.123 4.617 4.740 0.000 0.000 0.186 1390 N C 0.764 176.418 175.510 0.240 0.000 1.015 1390 N CA 1.262 54.388 53.050 0.127 0.000 0.862 1390 N CB 0.091 38.621 38.487 0.072 0.000 0.986 1390 N HN 0.665 nan 8.380 nan 0.000 0.429 1391 T N -3.521 111.157 114.554 0.207 0.000 2.916 1391 T HA 0.651 5.001 4.350 0.000 0.000 0.292 1391 T C -0.765 173.963 174.700 0.046 0.000 1.055 1391 T CA -0.983 61.267 62.100 0.251 0.000 1.009 1391 T CB 2.521 71.484 68.868 0.158 0.000 1.118 1391 T HN 0.069 nan 8.240 nan 0.000 0.497 1392 K N 0.506 120.858 120.400 -0.079 0.000 2.477 1392 K HA 0.707 5.027 4.320 0.000 0.000 0.255 1392 K C -1.667 174.875 176.600 -0.096 0.000 0.952 1392 K CA -0.965 55.136 56.287 -0.310 0.000 0.826 1392 K CB 2.405 34.314 32.500 -0.984 0.000 1.331 1392 K HN 0.627 nan 8.250 nan 0.000 0.437 1393 V N 4.701 124.579 119.914 -0.060 0.000 2.481 1393 V HA 0.458 4.578 4.120 0.000 0.000 0.286 1393 V C -0.153 175.935 176.094 -0.009 0.000 1.042 1393 V CA -0.753 61.559 62.300 0.019 0.000 0.928 1393 V CB 1.244 33.116 31.823 0.082 0.000 0.986 1393 V HN 0.955 nan 8.190 nan 0.000 0.462 1394 M N 7.026 126.629 119.600 0.006 0.000 2.185 1394 M HA 0.403 4.883 4.480 0.000 0.000 0.357 1394 M C -0.374 175.841 176.300 -0.141 0.000 1.260 1394 M CA 0.415 55.696 55.300 -0.033 0.000 1.124 1394 M CB 0.271 32.875 32.600 0.005 0.000 1.600 1394 M HN 0.956 nan 8.290 nan 0.000 0.467 1395 N N 3.585 122.156 118.700 -0.214 0.000 2.823 1395 N HA 0.389 5.129 4.740 0.000 0.000 0.251 1395 N C -1.890 173.442 175.510 -0.297 0.000 1.392 1395 N CA -0.894 51.889 53.050 -0.444 0.000 0.864 1395 N CB 0.947 38.930 38.487 -0.840 0.000 1.481 1395 N HN 0.629 nan 8.380 nan 0.000 0.508 1396 M N 1.082 120.494 119.600 -0.313 0.000 2.077 1396 M HA 0.312 4.792 4.480 0.000 0.000 0.348 1396 M C 0.217 176.439 176.300 -0.129 0.000 1.252 1396 M CA -0.163 55.038 55.300 -0.166 0.000 1.096 1396 M CB 1.161 33.690 32.600 -0.117 0.000 1.568 1396 M HN 0.775 nan 8.290 nan 0.000 0.456 1397 E N 2.064 122.214 120.200 -0.084 0.000 2.831 1397 E HA 0.178 4.528 4.350 0.000 0.000 0.254 1397 E C -0.267 176.316 176.600 -0.028 0.000 1.015 1397 E CA 0.258 56.633 56.400 -0.041 0.000 1.016 1397 E CB 0.320 29.999 29.700 -0.035 0.000 2.665 1397 E HN 0.631 nan 8.360 nan 0.000 0.583 1402 G N 0.908 109.684 108.800 -0.041 0.000 2.366 1402 G HA2 -0.254 3.706 3.960 0.000 0.000 0.299 1402 G HA3 -0.254 3.706 3.960 0.000 0.000 0.299 1402 G C -0.386 174.483 174.900 -0.051 0.000 1.020 1402 G CA 0.976 46.052 45.100 -0.041 0.000 1.026 1402 G HN 0.364 nan 8.290 nan 0.000 0.512 1403 S N -0.765 114.897 115.700 -0.064 0.000 2.617 1403 S HA 0.589 5.059 4.470 0.000 0.000 0.283 1403 S C 0.713 175.264 174.600 -0.080 0.000 1.189 1403 S CA -0.756 57.399 58.200 -0.074 0.000 1.036 1403 S CB 1.398 64.546 63.200 -0.088 0.000 1.014 1403 S HN 0.411 nan 8.310 nan 0.000 0.522 1404 L N 3.601 124.775 121.223 -0.082 0.000 2.485 1404 L HA 0.264 4.604 4.340 0.000 0.000 0.279 1404 L C 0.405 177.241 176.870 -0.057 0.000 1.124 1404 L CA -0.023 54.768 54.840 -0.082 0.000 0.888 1404 L CB -0.416 41.593 42.059 -0.083 0.000 1.217 1404 L HN 0.754 nan 8.230 nan 0.000 0.464 1405 S N 2.553 118.220 115.700 -0.055 0.000 2.570 1405 S HA 0.877 5.347 4.470 0.000 0.000 0.270 1405 S C -0.945 173.648 174.600 -0.012 0.000 1.149 1405 S CA -0.730 57.460 58.200 -0.016 0.000 0.837 1405 S CB 2.350 65.533 63.200 -0.029 0.000 1.124 1405 S HN 0.549 nan 8.310 nan 0.000 0.465 1406 A N 1.147 123.993 122.820 0.043 0.000 2.411 1406 A HA 0.707 5.027 4.320 0.000 0.000 0.285 1406 A C -0.617 177.003 177.584 0.060 0.000 1.129 1406 A CA -0.496 51.542 52.037 0.002 0.000 0.736 1406 A CB 0.978 19.985 19.000 0.012 0.000 1.186 1406 A HN 0.864 nan 8.150 nan 0.000 0.445 1407 E N 2.119 122.309 120.200 -0.017 0.000 2.227 1407 E HA 0.482 4.832 4.350 0.000 0.000 0.282 1407 E C -1.337 175.265 176.600 0.003 0.000 1.015 1407 E CA -0.449 55.997 56.400 0.077 0.000 0.823 1407 E CB 0.540 30.254 29.700 0.023 0.000 1.081 1407 E HN 0.486 nan 8.360 nan 0.000 0.396 1408 F N 4.204 124.194 119.950 0.066 0.000 2.611 1408 F HA 0.265 4.792 4.527 0.000 0.000 0.321 1408 F C 0.500 176.268 175.800 -0.053 0.000 1.208 1408 F CA -0.537 57.485 58.000 0.038 0.000 1.249 1408 F CB 0.193 39.252 39.000 0.098 0.000 1.514 1408 F HN 0.160 nan 8.300 nan 0.000 0.561 1409 K N 0.468 120.851 120.400 -0.028 0.000 2.380 1409 K HA 0.055 4.375 4.320 0.000 0.000 0.267 1409 K C 0.189 176.639 176.600 -0.250 0.000 0.990 1409 K CA 0.018 56.153 56.287 -0.254 0.000 0.946 1409 K CB 0.190 32.380 32.500 -0.517 0.000 0.937 1409 K HN 0.425 nan 8.250 nan 0.000 0.491 1410 H N -0.853 118.181 119.070 -0.060 0.000 2.886 1410 H HA -0.172 4.384 4.556 0.000 0.000 0.294 1410 H C -0.758 174.454 175.328 -0.195 0.000 1.246 1410 H CA 0.360 56.348 56.048 -0.101 0.000 1.142 1410 H CB -2.006 27.724 29.762 -0.054 0.000 1.358 1410 H HN 0.415 nan 8.280 nan 0.000 0.406 1411 L N 1.052 122.065 121.223 -0.351 0.000 2.295 1411 L HA 0.375 4.716 4.340 0.000 0.000 0.285 1411 L C 0.777 177.161 176.870 -0.811 0.000 1.035 1411 L CA -0.096 54.377 54.840 -0.612 0.000 0.806 1411 L CB 1.663 43.188 42.059 -0.890 0.000 1.214 1411 L HN 0.092 nan 8.230 nan 0.000 0.426 1412 T N 3.523 117.886 114.554 -0.319 0.000 2.949 1412 T HA 0.679 5.029 4.350 0.000 0.000 0.287 1412 T C -0.464 174.307 174.700 0.119 0.000 1.034 1412 T CA -0.486 61.581 62.100 -0.055 0.000 1.018 1412 T CB 2.046 70.917 68.868 0.005 0.000 1.135 1412 T HN 0.280 nan 8.240 nan 0.000 0.532 1413 L N 0.806 122.163 121.223 0.223 0.000 2.309 1413 L HA 0.810 5.150 4.340 0.000 0.000 0.261 1413 L C -0.139 176.839 176.870 0.179 0.000 1.021 1413 L CA -0.832 54.149 54.840 0.234 0.000 0.823 1413 L CB 2.160 44.385 42.059 0.278 0.000 1.366 1413 L HN 0.490 nan 8.230 nan 0.000 0.423 1414 R N 0.394 121.007 120.500 0.188 0.000 2.741 1414 R HA 0.329 4.669 4.340 0.000 0.000 0.274 1414 R C -1.838 174.492 176.300 0.050 0.000 1.029 1414 R CA -0.698 55.465 56.100 0.106 0.000 0.880 1414 R CB 1.957 32.285 30.300 0.046 0.000 1.264 1414 R HN 0.608 nan 8.270 nan 0.000 0.465 1415 E N 1.779 121.890 120.200 -0.148 0.000 2.145 1415 E HA 0.057 4.407 4.350 0.000 0.000 0.270 1415 E C -1.217 175.217 176.600 -0.277 0.000 0.906 1415 E CA -0.383 55.741 56.400 -0.459 0.000 0.761 1415 E CB 1.657 30.919 29.700 -0.731 0.000 1.116 1415 E HN 0.441 nan 8.360 nan 0.000 0.408 1416 Q N 6.037 125.694 119.800 -0.238 0.000 2.388 1416 Q HA 0.030 4.370 4.340 0.000 0.000 0.246 1416 Q C -0.659 175.258 176.000 -0.139 0.000 1.246 1416 Q CA 0.195 55.918 55.803 -0.133 0.000 0.895 1416 Q CB 0.121 28.811 28.738 -0.079 0.000 1.510 1416 Q HN 0.370 nan 8.270 nan 0.000 0.503 1417 R N 2.312 122.742 120.500 -0.116 0.000 2.441 1417 R HA 0.246 4.586 4.340 0.000 0.000 0.284 1417 R C 0.372 176.638 176.300 -0.058 0.000 1.070 1417 R CA -0.222 55.822 56.100 -0.093 0.000 1.047 1417 R CB 0.619 30.870 30.300 -0.082 0.000 1.016 1417 R HN 0.884 nan 8.270 nan 0.000 0.477 1432 V N 1.280 121.245 119.914 0.085 0.000 2.250 1432 V HA -0.260 3.860 4.120 0.000 0.000 0.250 1432 V C 2.510 178.656 176.094 0.085 0.000 1.060 1432 V CA 3.577 65.940 62.300 0.105 0.000 1.030 1432 V CB -1.415 30.471 31.823 0.105 0.000 0.643 1432 V HN 0.989 nan 8.190 nan 0.000 0.445 1433 T N -2.834 111.759 114.554 0.066 0.000 3.194 1433 T HA 0.090 4.440 4.350 0.000 0.000 0.251 1433 T C 0.958 175.661 174.700 0.005 0.000 1.132 1433 T CA 0.605 62.743 62.100 0.064 0.000 1.028 1433 T CB -0.111 68.814 68.868 0.095 0.000 0.976 1433 T HN 0.626 nan 8.240 nan 0.000 0.535 1434 E N 0.325 120.510 120.200 -0.025 0.000 2.693 1434 E HA 0.186 4.536 4.350 0.000 0.000 0.214 1434 E C -0.239 176.425 176.600 0.107 0.000 0.990 1434 E CA -0.151 56.167 56.400 -0.137 0.000 1.047 1434 E CB 0.670 30.242 29.700 -0.213 0.000 1.039 1434 E HN 0.566 nan 8.360 nan 0.000 0.475 1435 E N 1.714 121.945 120.200 0.053 0.000 2.145 1435 E HA 0.325 4.675 4.350 0.000 0.000 0.270 1435 E C -0.975 175.485 176.600 -0.233 0.000 0.906 1435 E CA -0.370 56.006 56.400 -0.041 0.000 0.761 1435 E CB 0.912 30.603 29.700 -0.015 0.000 1.116 1435 E HN 0.091 nan 8.360 nan 0.000 0.408 1436 L N 4.790 125.841 121.223 -0.287 0.000 2.325 1436 L HA 0.505 4.845 4.340 0.000 0.000 0.278 1436 L C -0.150 176.374 176.870 -0.578 0.000 1.023 1436 L CA -0.876 53.751 54.840 -0.354 0.000 0.811 1436 L CB 1.304 43.262 42.059 -0.168 0.000 1.249 1436 L HN 0.495 nan 8.230 nan 0.000 0.431 1437 H N 3.282 122.279 119.070 -0.122 0.000 2.821 1437 H HA 0.594 5.150 4.556 0.000 0.000 0.373 1437 H C -0.945 174.300 175.328 -0.137 0.000 1.165 1437 H CA -0.673 55.298 56.048 -0.128 0.000 1.154 1437 H CB 2.537 32.175 29.762 -0.205 0.000 1.765 1437 H HN 0.360 nan 8.280 nan 0.000 0.549 1438 L N 2.282 123.512 121.223 0.011 0.000 2.334 1438 L HA 0.434 4.774 4.340 0.000 0.000 0.273 1438 L C -0.452 176.410 176.870 -0.012 0.000 1.013 1438 L CA -0.948 53.875 54.840 -0.030 0.000 0.816 1438 L CB 1.547 43.543 42.059 -0.104 0.000 1.278 1438 L HN 0.308 nan 8.230 nan 0.000 0.431 1439 I N 0.997 121.579 120.570 0.020 0.000 2.378 1439 I HA 0.385 4.555 4.170 0.000 0.000 0.291 1439 I C -0.059 176.087 176.117 0.048 0.000 0.992 1439 I CA 0.082 61.365 61.300 -0.028 0.000 1.154 1439 I CB 1.957 39.919 38.000 -0.064 0.000 1.315 1439 I HN 0.487 nan 8.210 nan 0.000 0.448 1440 T N 5.943 120.456 114.554 -0.069 0.000 2.823 1440 T HA 0.632 4.982 4.350 0.000 0.000 0.279 1440 T C -0.606 174.023 174.700 -0.119 0.000 0.998 1440 T CA -0.357 61.776 62.100 0.055 0.000 0.994 1440 T CB 0.572 69.480 68.868 0.067 0.000 0.960 1440 T HN 0.032 nan 8.240 nan 0.000 0.448 1441 F N 1.650 121.604 119.950 0.007 0.000 2.480 1441 F HA 0.677 5.204 4.527 0.000 0.000 0.329 1441 F C 0.690 176.625 175.800 0.224 0.000 1.091 1441 F CA -1.088 56.945 58.000 0.054 0.000 0.972 1441 F CB 1.560 40.544 39.000 -0.027 0.000 1.150 1441 F HN 0.524 nan 8.300 nan 0.000 0.467 1442 E N -0.121 120.312 120.200 0.388 0.000 2.412 1442 E HA 0.678 5.028 4.350 0.000 0.000 0.279 1442 E C -1.272 175.449 176.600 0.202 0.000 0.984 1442 E CA -1.135 55.443 56.400 0.296 0.000 0.788 1442 E CB 2.726 32.530 29.700 0.173 0.000 1.277 1442 E HN 0.513 nan 8.360 nan 0.000 0.455 1443 T N 0.375 114.970 114.554 0.067 0.000 3.168 1443 T HA 0.163 4.513 4.350 0.000 0.000 0.373 1443 T C -1.823 172.821 174.700 -0.093 0.000 1.681 1443 T CA -0.634 61.468 62.100 0.003 0.000 1.135 1443 T CB 0.942 69.801 68.868 -0.015 0.000 1.477 1443 T HN 0.433 nan 8.240 nan 0.000 0.480 1444 E N 1.563 121.722 120.200 -0.068 0.000 2.250 1444 E HA 0.723 5.073 4.350 0.000 0.000 0.265 1444 E C -0.768 175.689 176.600 -0.239 0.000 1.033 1444 E CA -1.045 55.248 56.400 -0.178 0.000 0.888 1444 E CB 1.924 31.524 29.700 -0.167 0.000 1.151 1444 E HN 0.373 nan 8.360 nan 0.000 0.412 1445 V N 1.725 121.401 119.914 -0.396 0.000 2.709 1445 V HA 0.322 4.442 4.120 0.000 0.000 0.308 1445 V C -1.465 174.354 176.094 -0.458 0.000 1.062 1445 V CA -0.927 61.206 62.300 -0.279 0.000 0.901 1445 V CB 1.102 32.823 31.823 -0.170 0.000 1.003 1445 V HN 0.573 nan 8.190 nan 0.000 0.425 1446 Y N 2.846 123.208 120.300 0.103 0.000 2.326 1446 Y HA 0.743 5.293 4.550 0.000 0.000 0.329 1446 Y C -0.219 175.806 175.900 0.208 0.000 0.973 1446 Y CA -0.418 57.755 58.100 0.123 0.000 1.162 1446 Y CB 1.690 40.198 38.460 0.080 0.000 1.147 1446 Y HN 0.805 nan 8.280 nan 0.000 0.456 1447 H N 1.150 120.329 119.070 0.182 0.000 2.974 1447 H HA 0.234 4.790 4.556 0.000 0.000 0.366 1447 H C -0.236 175.155 175.328 0.104 0.000 1.155 1447 H CA -0.853 55.286 56.048 0.153 0.000 1.186 1447 H CB 1.557 31.439 29.762 0.199 0.000 1.799 1447 H HN 0.663 nan 8.280 nan 0.000 0.541 1448 Q N 2.793 122.373 119.800 -0.366 0.000 2.405 1448 Q HA -0.226 4.114 4.340 0.000 0.000 0.265 1448 Q C 0.250 176.213 176.000 -0.062 0.000 1.096 1448 Q CA 1.305 56.963 55.803 -0.241 0.000 0.982 1448 Q CB -1.429 27.178 28.738 -0.218 0.000 1.426 1448 Q HN 1.268 nan 8.270 nan 0.000 0.527 1449 G N -0.496 108.307 108.800 0.005 0.000 2.341 1449 G HA2 -0.222 3.738 3.960 0.000 0.000 0.278 1449 G HA3 -0.222 3.738 3.960 0.000 0.000 0.278 1449 G C -0.411 174.546 174.900 0.095 0.000 1.111 1449 G CA 0.280 45.412 45.100 0.054 0.000 0.982 1449 G HN 0.292 nan 8.290 nan 0.000 0.502 1450 L N -1.077 120.236 121.223 0.150 0.000 2.466 1450 L HA 0.612 4.952 4.340 0.000 0.000 0.258 1450 L C -0.077 176.866 176.870 0.120 0.000 0.973 1450 L CA -1.126 53.799 54.840 0.141 0.000 0.826 1450 L CB 2.529 44.675 42.059 0.145 0.000 1.372 1450 L HN 0.198 nan 8.230 nan 0.000 0.409 1451 K N 2.579 123.010 120.400 0.052 0.000 2.339 1451 K HA 0.581 4.901 4.320 0.000 0.000 0.264 1451 K C -1.503 175.011 176.600 -0.144 0.000 0.986 1451 K CA -0.523 55.665 56.287 -0.165 0.000 0.866 1451 K CB 1.588 34.071 32.500 -0.029 0.000 1.103 1451 K HN 0.416 nan 8.250 nan 0.000 0.441 1452 I N 3.466 123.898 120.570 -0.230 0.000 2.441 1452 I HA 0.157 4.327 4.170 0.000 0.000 0.295 1452 I C -0.804 175.205 176.117 -0.180 0.000 0.994 1452 I CA -0.559 60.649 61.300 -0.153 0.000 1.144 1452 I CB 1.697 39.615 38.000 -0.137 0.000 1.314 1452 I HN 0.606 nan 8.210 nan 0.000 0.445 1453 D N 8.827 129.160 120.400 -0.113 0.000 2.494 1453 D HA 0.190 4.830 4.640 0.000 0.000 0.217 1453 D C -0.376 175.878 176.300 -0.077 0.000 1.153 1453 D CA -0.009 53.944 54.000 -0.078 0.000 0.954 1453 D CB 0.478 41.259 40.800 -0.032 0.000 1.034 1453 D HN 0.279 nan 8.370 nan 0.000 0.518 1454 L N 1.652 122.797 121.223 -0.130 0.000 2.307 1454 L HA 0.417 4.757 4.340 0.000 0.000 0.282 1454 L C 0.378 177.263 176.870 0.025 0.000 1.051 1454 L CA -0.179 54.560 54.840 -0.167 0.000 0.804 1454 L CB 1.339 43.085 42.059 -0.521 0.000 1.197 1454 L HN 0.360 nan 8.230 nan 0.000 0.431 1455 E N 2.307 122.690 120.200 0.306 0.000 2.649 1455 E HA 0.239 4.589 4.350 0.000 0.000 0.308 1455 E C -1.913 174.923 176.600 0.394 0.000 1.017 1455 E CA -0.361 56.315 56.400 0.461 0.000 0.848 1455 E CB 2.217 32.062 29.700 0.240 0.000 1.240 1455 E HN 0.510 nan 8.360 nan 0.000 0.421 1456 T N 2.218 116.902 114.554 0.217 0.000 2.864 1456 T HA 0.571 4.921 4.350 0.000 0.000 0.289 1456 T C -1.293 173.440 174.700 0.054 0.000 1.082 1456 T CA -0.423 61.629 62.100 -0.079 0.000 1.009 1456 T CB 1.163 69.691 68.868 -0.566 0.000 1.234 1456 T HN 0.598 nan 8.240 nan 0.000 0.526 1457 H N -0.942 118.113 119.070 -0.025 0.000 2.960 1457 H HA 0.739 5.295 4.556 0.000 0.000 0.338 1457 H C -0.817 174.500 175.328 -0.018 0.000 1.261 1457 H CA -0.802 55.287 56.048 0.068 0.000 1.136 1457 H CB 1.059 30.850 29.762 0.048 0.000 1.875 1457 H HN 0.670 nan 8.280 nan 0.000 0.550 1458 S N 0.597 116.403 115.700 0.177 0.000 2.713 1458 S HA 0.430 4.900 4.470 0.000 0.000 0.283 1458 S C 0.173 174.796 174.600 0.038 0.000 1.161 1458 S CA -1.051 57.163 58.200 0.022 0.000 0.999 1458 S CB 0.985 64.218 63.200 0.054 0.000 1.039 1458 S HN 0.512 nan 8.310 nan 0.000 0.548 1459 L N 1.942 123.111 121.223 -0.091 0.000 2.499 1459 L HA 0.231 4.571 4.340 0.000 0.000 0.273 1459 L C -2.106 174.631 176.870 -0.222 0.000 1.195 1459 L CA -1.570 53.169 54.840 -0.168 0.000 0.882 1459 L CB -0.154 41.768 42.059 -0.229 0.000 1.133 1459 L HN 0.508 nan 8.230 nan 0.000 0.483 1460 P HA -0.122 nan 4.420 nan 0.000 0.264 1460 P C -0.834 176.275 177.300 -0.318 0.000 1.156 1460 P CA 0.418 63.297 63.100 -0.368 0.000 0.756 1460 P CB 0.405 31.724 31.700 -0.635 0.000 0.764 1461 V N 4.944 124.733 119.914 -0.208 0.000 2.680 1461 V HA 0.282 4.402 4.120 0.000 0.000 0.309 1461 V C 0.037 176.056 176.094 -0.125 0.000 1.052 1461 V CA -0.686 61.517 62.300 -0.161 0.000 0.908 1461 V CB 2.523 34.254 31.823 -0.155 0.000 1.001 1461 V HN 0.147 nan 8.190 nan 0.000 0.431 1462 V N 5.342 125.207 119.914 -0.081 0.000 2.370 1462 V HA 0.410 4.530 4.120 0.000 0.000 0.279 1462 V C -0.159 175.914 176.094 -0.035 0.000 1.029 1462 V CA -0.409 61.870 62.300 -0.035 0.000 0.870 1462 V CB 1.766 33.603 31.823 0.023 0.000 0.984 1462 V HN 0.613 nan 8.190 nan 0.000 0.451 1463 V N 6.840 126.736 119.914 -0.030 0.000 2.427 1463 V HA 0.549 4.669 4.120 0.000 0.000 0.286 1463 V C 0.041 176.150 176.094 0.026 0.000 1.034 1463 V CA -0.461 61.780 62.300 -0.098 0.000 0.893 1463 V CB 1.407 32.973 31.823 -0.427 0.000 0.982 1463 V HN 0.801 nan 8.190 nan 0.000 0.452 1464 I N 1.380 121.968 120.570 0.031 0.000 2.863 1464 I HA 0.676 4.846 4.170 0.000 0.000 0.311 1464 I C 0.633 176.801 176.117 0.086 0.000 1.026 1464 I CA -0.320 61.017 61.300 0.062 0.000 1.077 1464 I CB 2.247 40.261 38.000 0.023 0.000 1.262 1464 I HN 0.437 nan 8.210 nan 0.000 0.461 1465 S N 1.290 117.038 115.700 0.081 0.000 2.527 1465 S HA 0.110 4.580 4.470 0.000 0.000 0.225 1465 S C 0.555 175.182 174.600 0.045 0.000 1.046 1465 S CA 0.070 58.316 58.200 0.076 0.000 0.929 1465 S CB -0.202 63.041 63.200 0.072 0.000 0.851 1465 S HN 0.793 nan 8.310 nan 0.000 0.565 1466 N N 0.067 118.786 118.700 0.031 0.000 2.384 1466 N HA 0.328 5.068 4.740 0.000 0.000 0.301 1466 N C -0.082 175.428 175.510 0.000 0.000 1.133 1466 N CA -0.348 52.712 53.050 0.017 0.000 0.853 1466 N CB 1.168 39.664 38.487 0.015 0.000 1.241 1466 N HN -0.040 nan 8.380 nan 0.000 0.502 1467 I N 2.864 123.430 120.570 -0.007 0.000 3.164 1467 I HA -0.156 4.014 4.170 0.000 0.000 0.278 1467 I C 2.113 178.215 176.117 -0.024 0.000 1.320 1467 I CA 0.638 61.922 61.300 -0.028 0.000 1.422 1467 I CB -0.763 37.243 38.000 0.010 0.000 1.066 1467 I HN 0.676 nan 8.210 nan 0.000 0.503 1468 C N -1.239 118.051 119.300 -0.016 0.000 2.485 1468 C HA 0.025 4.485 4.460 0.000 0.000 0.277 1468 C C 2.137 177.114 174.990 -0.021 0.000 1.376 1468 C CA 0.068 59.072 59.018 -0.024 0.000 1.759 1468 C CB -1.164 26.564 27.740 -0.019 0.000 1.970 1468 C HN 0.524 nan 8.230 nan 0.000 0.509 1469 Q N 0.449 120.248 119.800 -0.002 0.000 2.444 1469 Q HA 0.004 4.345 4.340 0.000 0.000 0.206 1469 Q C 1.920 177.945 176.000 0.042 0.000 0.948 1469 Q CA 0.669 56.485 55.803 0.022 0.000 0.946 1469 Q CB -0.246 28.514 28.738 0.037 0.000 1.027 1469 Q HN 0.742 nan 8.270 nan 0.000 0.513 1470 M N 2.071 121.676 119.600 0.009 0.000 2.226 1470 M HA -0.188 4.292 4.480 0.000 0.000 0.257 1470 M C -1.174 175.206 176.300 0.133 0.000 1.070 1470 M CA 2.279 57.589 55.300 0.017 0.000 1.087 1470 M CB -0.980 31.592 32.600 -0.048 0.000 1.278 1470 M HN -0.036 nan 8.290 nan 0.000 0.426 1471 P HA -0.080 nan 4.420 nan 0.000 0.213 1471 P C 0.744 178.298 177.300 0.424 0.000 1.170 1471 P CA 1.645 64.857 63.100 0.186 0.000 0.893 1471 P CB -0.447 31.098 31.700 -0.259 0.000 0.784 1472 N N -0.286 118.538 118.700 0.206 0.000 2.322 1472 N HA -0.181 4.559 4.740 0.000 0.000 0.189 1472 N C 1.498 177.218 175.510 0.350 0.000 1.012 1472 N CA 1.701 54.913 53.050 0.271 0.000 0.880 1472 N CB -0.684 37.871 38.487 0.114 0.000 0.967 1472 N HN 0.170 nan 8.380 nan 0.000 0.439 1473 A N 0.789 123.797 122.820 0.315 0.000 1.881 1473 A HA -0.040 4.280 4.320 0.000 0.000 0.210 1473 A C 1.922 179.714 177.584 0.347 0.000 1.239 1473 A CA 0.239 52.435 52.037 0.264 0.000 0.629 1473 A CB -1.181 17.931 19.000 0.186 0.000 0.906 1473 A HN 0.490 nan 8.150 nan 0.000 0.460 1474 W N 1.274 122.715 121.300 0.235 0.000 2.321 1474 W HA -0.293 4.367 4.660 0.000 0.000 0.285 1474 W C 1.952 178.632 176.519 0.268 0.000 1.213 1474 W CA 1.705 59.190 57.345 0.233 0.000 1.205 1474 W CB 0.015 29.654 29.460 0.299 0.000 1.134 1474 W HN 0.442 nan 8.180 nan 0.000 0.549 1475 A N 0.303 123.366 122.820 0.405 0.000 1.855 1475 A HA -0.191 4.129 4.320 0.000 0.000 0.215 1475 A C 2.092 179.874 177.584 0.330 0.000 1.191 1475 A CA 2.096 54.312 52.037 0.298 0.000 0.613 1475 A CB -1.216 18.169 19.000 0.642 0.000 0.829 1475 A HN 0.257 nan 8.150 nan 0.000 0.442 1476 S N 0.019 115.900 115.700 0.302 0.000 2.359 1476 S HA -0.143 4.327 4.470 0.000 0.000 0.224 1476 S C 1.837 176.536 174.600 0.166 0.000 1.035 1476 S CA 1.355 59.664 58.200 0.181 0.000 1.018 1476 S CB -0.438 62.793 63.200 0.052 0.000 0.876 1476 S HN 0.421 nan 8.310 nan 0.000 0.448 1477 I N 1.910 122.461 120.570 -0.032 0.000 2.053 1477 I HA -0.222 3.948 4.170 0.000 0.000 0.236 1477 I C 2.296 178.217 176.117 -0.326 0.000 1.038 1477 I CA 1.517 62.670 61.300 -0.244 0.000 1.304 1477 I CB -1.582 36.175 38.000 -0.405 0.000 1.023 1477 I HN 0.270 nan 8.210 nan 0.000 0.395 1478 L N -0.735 120.175 121.223 -0.522 0.000 2.010 1478 L HA -0.323 4.017 4.340 0.000 0.000 0.219 1478 L C 2.636 179.371 176.870 -0.225 0.000 1.077 1478 L CA 2.048 56.620 54.840 -0.448 0.000 0.773 1478 L CB -0.845 40.884 42.059 -0.550 0.000 0.892 1478 L HN 0.469 nan 8.230 nan 0.000 0.436 1479 W N -0.403 120.764 121.300 -0.222 0.000 2.350 1479 W HA -0.308 4.352 4.660 -0.000 0.000 0.289 1479 W C 2.620 178.998 176.519 -0.236 0.000 1.215 1479 W CA 1.870 59.142 57.345 -0.122 0.000 1.236 1479 W CB -0.263 29.223 29.460 0.043 0.000 1.130 1479 W HN 0.247 nan 8.180 nan 0.000 0.541 1480 Y N 1.871 121.860 120.300 -0.517 0.000 2.184 1480 Y HA -0.193 4.357 4.550 0.000 0.000 0.290 1480 Y C 2.372 177.869 175.900 -0.671 0.000 1.129 1480 Y CA 2.337 59.754 58.100 -1.139 0.000 1.144 1480 Y CB -0.941 36.842 38.460 -1.128 0.000 0.995 1480 Y HN -0.185 nan 8.280 nan 0.000 0.513 1481 N N 0.322 118.933 118.700 -0.149 0.000 2.039 1481 N HA -0.251 4.489 4.740 0.000 0.000 0.193 1481 N C 2.114 177.499 175.510 -0.209 0.000 1.044 1481 N CA 1.790 54.760 53.050 -0.134 0.000 0.847 1481 N CB -0.863 37.528 38.487 -0.159 0.000 1.030 1481 N HN 0.452 nan 8.380 nan 0.000 0.422 1482 M N 0.509 119.955 119.600 -0.257 0.000 2.255 1482 M HA -0.181 4.299 4.480 0.000 0.000 0.259 1482 M C 1.008 177.112 176.300 -0.326 0.000 1.071 1482 M CA 1.396 56.524 55.300 -0.287 0.000 1.074 1482 M CB 0.146 32.502 32.600 -0.407 0.000 1.384 1482 M HN 0.079 nan 8.290 nan 0.000 0.415 1483 L N -1.995 119.002 121.223 -0.376 0.000 2.714 1483 L HA 0.184 4.524 4.340 0.000 0.000 0.184 1483 L C 1.254 177.978 176.870 -0.244 0.000 1.317 1483 L CA -0.120 54.532 54.840 -0.313 0.000 2.279 1483 L CB -0.807 41.068 42.059 -0.307 0.000 2.140 1483 L HN -0.062 nan 8.230 nan 0.000 1.029 1484 T N 1.234 115.638 114.554 -0.250 0.000 2.940 1484 T HA -0.003 4.347 4.350 0.000 0.000 0.309 1484 T C 0.486 175.032 174.700 -0.257 0.000 1.056 1484 T CA -0.057 61.890 62.100 -0.255 0.000 1.137 1484 T CB 0.118 68.814 68.868 -0.287 0.000 0.976 1484 T HN 0.523 nan 8.240 nan 0.000 0.547 1485 N N 2.905 121.518 118.700 -0.145 0.000 2.235 1485 N HA 0.073 4.813 4.740 0.000 0.000 0.209 1485 N C 0.091 175.583 175.510 -0.030 0.000 1.122 1485 N CA -0.447 52.553 53.050 -0.084 0.000 0.845 1485 N CB -0.034 38.403 38.487 -0.083 0.000 1.004 1485 N HN 0.357 nan 8.380 nan 0.000 0.499 1486 N N 2.203 120.883 118.700 -0.033 0.000 2.468 1486 N HA 0.063 4.803 4.740 0.000 0.000 0.265 1486 N C -1.395 174.209 175.510 0.157 0.000 1.199 1486 N CA -1.167 51.903 53.050 0.033 0.000 0.928 1486 N CB 1.288 39.776 38.487 0.001 0.000 1.059 1486 N HN 0.107 nan 8.380 nan 0.000 0.467 1487 P HA -0.031 nan 4.420 nan 0.000 0.224 1487 P C -0.479 176.954 177.300 0.222 0.000 1.157 1487 P CA 0.981 64.181 63.100 0.167 0.000 0.799 1487 P CB 0.204 31.985 31.700 0.136 0.000 0.809 1488 K N 0.461 120.962 120.400 0.169 0.000 2.478 1488 K HA 0.489 4.809 4.320 0.000 0.000 0.236 1488 K C -0.728 175.905 176.600 0.056 0.000 1.021 1488 K CA -0.686 55.616 56.287 0.026 0.000 1.010 1488 K CB 0.047 32.498 32.500 -0.081 0.000 1.331 1488 K HN -0.262 nan 8.250 nan 0.000 0.470 1489 N N 2.650 121.416 118.700 0.110 0.000 3.029 1489 N HA -0.046 4.694 4.740 0.000 0.000 0.198 1489 N C 0.272 175.894 175.510 0.187 0.000 1.444 1489 N CA -0.357 52.771 53.050 0.130 0.000 0.784 1489 N CB 0.843 39.409 38.487 0.132 0.000 1.539 1489 N HN 0.292 nan 8.380 nan 0.000 0.582 1490 V N -0.816 119.139 119.914 0.068 0.000 2.407 1490 V HA -0.070 4.050 4.120 0.000 0.000 0.248 1490 V C 1.219 177.357 176.094 0.073 0.000 1.055 1490 V CA 1.600 63.916 62.300 0.027 0.000 1.049 1490 V CB -0.633 31.165 31.823 -0.042 0.000 0.662 1490 V HN 0.678 nan 8.190 nan 0.000 0.455 1491 N N 0.266 119.004 118.700 0.063 0.000 3.111 1491 N HA 0.020 4.760 4.740 0.000 0.000 0.302 1491 N C 0.833 176.359 175.510 0.027 0.000 1.317 1491 N CA 0.035 53.117 53.050 0.053 0.000 1.151 1491 N CB -0.101 38.402 38.487 0.026 0.000 1.456 1491 N HN 0.605 nan 8.380 nan 0.000 0.547 1492 F N 0.759 120.609 119.950 -0.166 0.000 2.234 1492 F HA 0.123 4.650 4.527 0.000 0.000 0.296 1492 F C 0.888 176.420 175.800 -0.448 0.000 1.089 1492 F CA 0.767 58.541 58.000 -0.377 0.000 1.343 1492 F CB 0.037 38.721 39.000 -0.528 0.000 1.040 1492 F HN -0.051 nan 8.300 nan 0.000 0.498 1493 F N 0.203 120.167 119.950 0.023 0.000 2.804 1493 F HA 0.091 4.618 4.527 0.000 0.000 0.303 1493 F C 2.082 177.829 175.800 -0.089 0.000 1.154 1493 F CA 0.416 58.343 58.000 -0.120 0.000 1.401 1493 F CB -1.401 37.559 39.000 -0.067 0.000 1.106 1493 F HN -0.168 nan 8.300 nan 0.000 0.568 1494 T N -0.515 114.052 114.554 0.020 0.000 3.051 1494 T HA -0.120 4.230 4.350 0.000 0.000 0.269 1494 T C 1.154 175.844 174.700 -0.017 0.000 1.127 1494 T CA 1.144 63.254 62.100 0.016 0.000 1.107 1494 T CB -0.158 68.705 68.868 -0.009 0.000 0.898 1494 T HN 0.179 nan 8.240 nan 0.000 0.517 1495 K N 0.714 121.065 120.400 -0.082 0.000 3.476 1495 K HA 0.142 4.462 4.320 0.000 0.000 0.165 1495 K C -3.099 173.397 176.600 -0.173 0.000 1.182 1495 K CA -0.798 55.440 56.287 -0.082 0.000 0.723 1495 K CB 0.611 33.062 32.500 -0.080 0.000 0.944 1495 K HN -0.013 nan 8.250 nan 0.000 0.478 1496 P HA -0.087 nan 4.420 nan 0.000 0.262 1496 P C -2.498 174.796 177.300 -0.009 0.000 1.151 1496 P CA -0.178 62.784 63.100 -0.230 0.000 0.757 1496 P CB 0.031 31.743 31.700 0.021 0.000 0.754 1497 P HA 0.205 nan 4.420 nan 0.000 0.277 1497 P C -0.165 177.342 177.300 0.345 0.000 1.271 1497 P CA -0.326 62.817 63.100 0.071 0.000 0.795 1497 P CB 0.434 32.083 31.700 -0.085 0.000 1.101 1498 I N -0.760 119.937 120.570 0.211 0.000 3.110 1498 I HA 0.580 4.750 4.170 0.000 0.000 0.314 1498 I C 1.081 177.281 176.117 0.139 0.000 1.020 1498 I CA 0.050 61.516 61.300 0.277 0.000 1.169 1498 I CB 0.222 38.317 38.000 0.158 0.000 1.437 1498 I HN 0.362 nan 8.210 nan 0.000 0.595 1499 G N 0.490 109.378 108.800 0.147 0.000 2.460 1499 G HA2 0.424 4.384 3.960 0.000 0.000 0.299 1499 G HA3 0.424 4.384 3.960 0.000 0.000 0.299 1499 G C -0.416 174.502 174.900 0.031 0.000 1.592 1499 G CA -0.502 44.562 45.100 -0.060 0.000 1.008 1499 G HN 0.826 nan 8.290 nan 0.000 0.513 1500 T N 0.211 114.780 114.554 0.026 0.000 2.897 1500 T HA -0.176 4.174 4.350 0.000 0.000 0.304 1500 T C 1.393 176.154 174.700 0.103 0.000 1.051 1500 T CA 0.439 62.590 62.100 0.084 0.000 1.132 1500 T CB 0.807 69.701 68.868 0.043 0.000 1.066 1500 T HN 0.694 nan 8.240 nan 0.000 0.518 1501 W N 3.927 125.237 121.300 0.017 0.000 2.290 1501 W HA -0.306 4.354 4.660 0.000 0.000 0.323 1501 W C 1.463 177.966 176.519 -0.027 0.000 1.260 1501 W CA 1.942 59.297 57.345 0.016 0.000 1.266 1501 W CB -0.513 28.980 29.460 0.055 0.000 1.149 1501 W HN 0.861 nan 8.180 nan 0.000 0.482 1502 D N -0.024 120.286 120.400 -0.149 0.000 2.303 1502 D HA -0.347 4.293 4.640 0.000 0.000 0.190 1502 D C 1.969 178.019 176.300 -0.417 0.000 1.011 1502 D CA 2.999 56.834 54.000 -0.276 0.000 0.860 1502 D CB -0.998 39.737 40.800 -0.109 0.000 0.961 1502 D HN 0.498 nan 8.370 nan 0.000 0.453 1503 Q N 0.500 120.099 119.800 -0.335 0.000 2.002 1503 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 1503 Q C 2.626 178.304 176.000 -0.535 0.000 0.988 1503 Q CA 1.546 57.118 55.803 -0.385 0.000 0.843 1503 Q CB -0.518 28.030 28.738 -0.317 0.000 0.908 1503 Q HN 0.180 nan 8.270 nan 0.000 0.420 1504 V N 1.771 121.372 119.914 -0.523 0.000 2.250 1504 V HA -0.373 3.747 4.120 0.000 0.000 0.250 1504 V C 2.463 178.091 176.094 -0.776 0.000 1.060 1504 V CA 2.023 63.978 62.300 -0.575 0.000 1.030 1504 V CB -1.444 30.156 31.823 -0.371 0.000 0.643 1504 V HN 0.517 nan 8.190 nan 0.000 0.445 1505 A N -0.143 121.978 122.820 -1.165 0.000 1.884 1505 A HA -0.357 3.963 4.320 0.000 0.000 0.219 1505 A C 2.335 179.520 177.584 -0.665 0.000 1.197 1505 A CA 2.502 53.859 52.037 -1.134 0.000 0.637 1505 A CB -0.698 17.583 19.000 -1.198 0.000 0.827 1505 A HN 0.711 nan 8.150 nan 0.000 0.450 1506 E N -0.148 119.642 120.200 -0.683 0.000 2.023 1506 E HA -0.177 4.173 4.350 0.000 0.000 0.196 1506 E C 1.941 177.823 176.600 -1.197 0.000 1.003 1506 E CA 2.020 57.940 56.400 -0.800 0.000 0.809 1506 E CB -0.338 28.897 29.700 -0.776 0.000 0.755 1506 E HN 0.302 nan 8.360 nan 0.000 0.449 1507 V N 1.475 120.686 119.914 -1.172 0.000 2.250 1507 V HA -0.325 3.795 4.120 0.000 0.000 0.250 1507 V C 2.670 178.515 176.094 -0.416 0.000 1.060 1507 V CA 2.124 63.865 62.300 -0.931 0.000 1.030 1507 V CB -0.726 30.762 31.823 -0.559 0.000 0.643 1507 V HN 0.306 nan 8.190 nan 0.000 0.445 1508 L N 0.236 121.260 121.223 -0.331 0.000 2.012 1508 L HA -0.216 4.124 4.340 0.000 0.000 0.210 1508 L C 2.778 179.742 176.870 0.157 0.000 1.073 1508 L CA 2.112 56.920 54.840 -0.053 0.000 0.748 1508 L CB -0.867 41.173 42.059 -0.032 0.000 0.891 1508 L HN 0.423 nan 8.230 nan 0.000 0.431 1509 S N -0.804 114.905 115.700 0.015 0.000 2.368 1509 S HA -0.251 4.219 4.470 0.000 0.000 0.226 1509 S C 1.881 176.711 174.600 0.382 0.000 1.044 1509 S CA 1.636 59.949 58.200 0.188 0.000 1.062 1509 S CB -0.452 62.742 63.200 -0.010 0.000 0.931 1509 S HN 0.410 nan 8.310 nan 0.000 0.440 1510 W N 2.045 123.433 121.300 0.147 0.000 2.290 1510 W HA -0.150 4.510 4.660 0.000 0.000 0.323 1510 W C 2.595 179.179 176.519 0.108 0.000 1.260 1510 W CA 1.214 58.623 57.345 0.107 0.000 1.266 1510 W CB -1.611 27.869 29.460 0.034 0.000 1.149 1510 W HN 0.458 nan 8.180 nan 0.000 0.482 1511 Q N -0.842 119.143 119.800 0.309 0.000 2.197 1511 Q HA -0.218 4.122 4.340 0.000 0.000 0.211 1511 Q C 2.070 177.993 176.000 -0.129 0.000 0.993 1511 Q CA 1.891 57.726 55.803 0.053 0.000 0.883 1511 Q CB -1.489 27.192 28.738 -0.094 0.000 0.916 1511 Q HN 0.366 nan 8.270 nan 0.000 0.418 1512 F N 1.143 121.185 119.950 0.153 0.000 2.118 1512 F HA -0.113 4.414 4.527 0.000 0.000 0.293 1512 F C 2.758 178.667 175.800 0.181 0.000 1.102 1512 F CA 1.203 59.276 58.000 0.120 0.000 1.247 1512 F CB -0.743 38.386 39.000 0.214 0.000 1.017 1512 F HN 0.044 nan 8.300 nan 0.000 0.475 1513 S N -0.627 115.328 115.700 0.424 0.000 2.400 1513 S HA -0.191 4.279 4.470 0.000 0.000 0.232 1513 S C 2.073 176.786 174.600 0.188 0.000 1.025 1513 S CA 1.313 59.699 58.200 0.310 0.000 0.993 1513 S CB -0.927 62.463 63.200 0.317 0.000 0.808 1513 S HN 0.253 nan 8.310 nan 0.000 0.478 1514 S N 2.283 118.073 115.700 0.150 0.000 2.380 1514 S HA -0.121 4.349 4.470 0.000 0.000 0.217 1514 S C 2.279 176.902 174.600 0.037 0.000 1.036 1514 S CA 1.914 60.153 58.200 0.064 0.000 1.050 1514 S CB -1.114 62.115 63.200 0.050 0.000 1.016 1514 S HN 0.770 nan 8.310 nan 0.000 0.419 1515 T N 2.355 116.915 114.554 0.009 0.000 2.639 1515 T HA -0.046 4.304 4.350 0.000 0.000 0.261 1515 T C 1.510 176.229 174.700 0.031 0.000 1.053 1515 T CA 1.516 63.604 62.100 -0.020 0.000 1.158 1515 T CB -1.016 67.797 68.868 -0.092 0.000 0.863 1515 T HN 0.706 nan 8.240 nan 0.000 0.413 1516 T N 1.215 115.818 114.554 0.081 0.000 2.753 1516 T HA 0.310 4.660 4.350 0.000 0.000 0.309 1516 T C 0.387 175.224 174.700 0.229 0.000 1.043 1516 T CA -0.673 61.539 62.100 0.188 0.000 0.964 1516 T CB 0.396 69.472 68.868 0.347 0.000 1.206 1516 T HN 0.098 nan 8.240 nan 0.000 0.528 1517 K N -0.566 120.003 120.400 0.282 0.000 2.437 1517 K HA 0.400 4.720 4.320 0.000 0.000 0.205 1517 K C 0.382 177.131 176.600 0.248 0.000 1.026 1517 K CA -0.204 56.205 56.287 0.205 0.000 1.153 1517 K CB 0.080 32.660 32.500 0.134 0.000 0.863 1517 K HN 0.557 nan 8.250 nan 0.000 0.502 1518 R N -0.550 120.202 120.500 0.421 0.000 2.629 1518 R HA 0.488 4.828 4.340 0.000 0.000 0.266 1518 R C -0.591 176.092 176.300 0.639 0.000 1.051 1518 R CA -0.617 55.739 56.100 0.426 0.000 0.895 1518 R CB 1.216 31.656 30.300 0.233 0.000 1.246 1518 R HN 0.225 nan 8.270 nan 0.000 0.459 1519 G N 2.493 111.566 108.800 0.456 0.000 3.134 1519 G HA2 0.469 4.429 3.960 0.000 0.000 0.158 1519 G HA3 0.469 4.429 3.960 0.000 0.000 0.158 1519 G C -0.934 174.148 174.900 0.304 0.000 1.334 1519 G CA -0.680 44.705 45.100 0.474 0.000 1.001 1519 G HN 0.342 nan 8.290 nan 0.000 0.600 1520 L N 1.468 122.789 121.223 0.164 0.000 2.356 1520 L HA 0.384 4.724 4.340 0.000 0.000 0.277 1520 L C 0.556 177.484 176.870 0.096 0.000 0.996 1520 L CA -0.761 54.138 54.840 0.097 0.000 0.822 1520 L CB 2.032 44.120 42.059 0.048 0.000 1.256 1520 L HN 0.623 nan 8.230 nan 0.000 0.413 1521 S N 2.119 117.870 115.700 0.084 0.000 2.580 1521 S HA 0.179 4.649 4.470 0.000 0.000 0.266 1521 S C 1.237 175.895 174.600 0.095 0.000 1.354 1521 S CA -0.598 57.644 58.200 0.070 0.000 1.008 1521 S CB 0.600 63.828 63.200 0.046 0.000 0.898 1521 S HN 0.587 nan 8.310 nan 0.000 0.555 1522 I N -1.237 119.385 120.570 0.086 0.000 2.916 1522 I HA -0.043 4.127 4.170 0.000 0.000 0.267 1522 I C 2.196 178.391 176.117 0.131 0.000 1.263 1522 I CA 1.321 62.688 61.300 0.112 0.000 1.471 1522 I CB -0.809 37.246 38.000 0.092 0.000 1.089 1522 I HN 0.795 nan 8.210 nan 0.000 0.468 1523 E N 2.930 123.195 120.200 0.109 0.000 2.005 1523 E HA -0.268 4.082 4.350 0.000 0.000 0.191 1523 E C 2.174 178.870 176.600 0.161 0.000 0.987 1523 E CA 1.959 58.425 56.400 0.110 0.000 0.814 1523 E CB -0.716 29.025 29.700 0.070 0.000 0.772 1523 E HN 0.675 nan 8.360 nan 0.000 0.453 1524 Q N -0.022 119.891 119.800 0.187 0.000 2.297 1524 Q HA -0.140 4.200 4.340 0.000 0.000 0.208 1524 Q C 2.129 178.286 176.000 0.261 0.000 0.981 1524 Q CA 1.322 57.304 55.803 0.299 0.000 0.876 1524 Q CB -0.409 28.561 28.738 0.387 0.000 0.921 1524 Q HN 0.317 nan 8.270 nan 0.000 0.446 1525 L N 1.106 122.463 121.223 0.222 0.000 2.376 1525 L HA -0.023 4.317 4.340 0.000 0.000 0.219 1525 L C 1.715 178.797 176.870 0.354 0.000 1.133 1525 L CA 1.445 56.451 54.840 0.276 0.000 0.816 1525 L CB -0.050 42.150 42.059 0.236 0.000 0.933 1525 L HN 0.179 nan 8.230 nan 0.000 0.449 1526 T N -2.502 112.204 114.554 0.255 0.000 2.983 1526 T HA -0.071 4.279 4.350 0.000 0.000 0.250 1526 T C 1.671 176.447 174.700 0.126 0.000 1.037 1526 T CA 1.218 63.454 62.100 0.226 0.000 1.142 1526 T CB -0.180 68.818 68.868 0.218 0.000 0.876 1526 T HN 0.469 nan 8.240 nan 0.000 0.455 1527 T N 0.796 115.440 114.554 0.149 0.000 3.051 1527 T HA 0.053 4.403 4.350 0.000 0.000 0.269 1527 T C 1.649 176.402 174.700 0.088 0.000 1.127 1527 T CA 0.520 62.700 62.100 0.134 0.000 1.107 1527 T CB -0.267 68.728 68.868 0.211 0.000 0.898 1527 T HN 0.128 nan 8.240 nan 0.000 0.517 1528 L N 0.166 121.423 121.223 0.056 0.000 2.515 1528 L HA 0.636 4.976 4.340 0.000 0.000 0.223 1528 L C 2.492 179.189 176.870 -0.288 0.000 1.079 1528 L CA 0.783 55.622 54.840 -0.001 0.000 0.857 1528 L CB -0.618 41.443 42.059 0.004 0.000 1.050 1528 L HN 0.245 nan 8.230 nan 0.000 0.476 1529 A N -0.756 121.752 122.820 -0.519 0.000 1.970 1529 A HA -0.140 4.180 4.320 0.000 0.000 0.216 1529 A C 2.231 178.947 177.584 -1.447 0.000 1.170 1529 A CA 1.427 52.547 52.037 -1.528 0.000 0.645 1529 A CB -0.346 17.895 19.000 -1.266 0.000 0.816 1529 A HN 0.541 nan 8.150 nan 0.000 0.447 1530 E N -0.499 119.145 120.200 -0.927 0.000 2.190 1530 E HA -0.056 4.295 4.350 0.000 0.000 0.191 1530 E C 1.615 177.932 176.600 -0.471 0.000 0.978 1530 E CA 0.371 56.358 56.400 -0.688 0.000 0.839 1530 E CB -0.008 29.553 29.700 -0.231 0.000 0.787 1530 E HN 0.196 nan 8.360 nan 0.000 0.473 1531 K N 0.645 120.813 120.400 -0.387 0.000 2.585 1531 K HA -0.075 4.245 4.320 0.000 0.000 0.194 1531 K C 1.502 177.783 176.600 -0.530 0.000 1.037 1531 K CA 0.478 56.580 56.287 -0.308 0.000 0.964 1531 K CB 0.115 32.561 32.500 -0.090 0.000 0.787 1531 K HN 0.340 nan 8.250 nan 0.000 0.488 1532 L N -1.390 119.418 121.223 -0.692 0.000 2.691 1532 L HA 0.141 4.481 4.340 0.000 0.000 0.185 1532 L C 1.390 177.963 176.870 -0.495 0.000 1.081 1532 L CA 0.100 54.488 54.840 -0.753 0.000 0.865 1532 L CB 0.097 41.562 42.059 -0.990 0.000 1.370 1532 L HN -0.056 nan 8.230 nan 0.000 0.488 1533 L N 0.607 121.488 121.223 -0.571 0.000 2.558 1533 L HA 0.285 4.625 4.340 0.000 0.000 0.225 1533 L C 1.215 177.906 176.870 -0.299 0.000 1.128 1533 L CA 0.564 55.161 54.840 -0.405 0.000 0.868 1533 L CB -0.472 41.297 42.059 -0.482 0.000 1.006 1533 L HN 0.595 nan 8.230 nan 0.000 0.454 1534 G N 0.854 109.454 108.800 -0.332 0.000 2.512 1534 G HA2 -0.228 3.732 3.960 0.000 0.000 0.240 1534 G HA3 -0.228 3.732 3.960 0.000 0.000 0.240 1534 G C -2.629 172.218 174.900 -0.088 0.000 1.246 1534 G CA -0.439 44.548 45.100 -0.189 0.000 0.919 1534 G HN 0.098 nan 8.290 nan 0.000 0.577 1535 P HA 0.549 nan 4.420 nan 0.000 0.281 1535 P C 0.272 177.642 177.300 0.117 0.000 1.252 1535 P CA 1.205 64.342 63.100 0.061 0.000 0.778 1535 P CB 1.231 32.938 31.700 0.012 0.000 0.895 1536 G N 0.981 109.864 108.800 0.138 0.000 2.340 1536 G HA2 0.304 4.264 3.960 0.000 0.000 0.300 1536 G HA3 0.304 4.264 3.960 0.000 0.000 0.300 1536 G C -1.981 172.756 174.900 -0.271 0.000 1.488 1536 G CA -0.562 44.554 45.100 0.026 0.000 0.878 1536 G HN 0.376 nan 8.290 nan 0.000 0.618 1537 V N 0.887 120.621 119.914 -0.301 0.000 2.547 1537 V HA 0.663 4.783 4.120 0.000 0.000 0.299 1537 V C 0.603 176.426 176.094 -0.450 0.000 1.040 1537 V CA 0.251 62.315 62.300 -0.394 0.000 0.913 1537 V CB 1.438 33.145 31.823 -0.193 0.000 0.992 1537 V HN 1.762 nan 8.190 nan 0.000 0.449 1538 N N 3.351 121.759 118.700 -0.487 0.000 2.482 1538 N HA -0.241 4.499 4.740 0.000 0.000 0.288 1538 N C -1.304 174.069 175.510 -0.229 0.000 1.319 1538 N CA 0.456 53.335 53.050 -0.285 0.000 0.671 1538 N CB -0.987 37.426 38.487 -0.125 0.000 0.911 1538 N HN 0.562 nan 8.380 nan 0.000 0.531 1539 Y N 2.340 122.662 120.300 0.037 0.000 2.714 1539 Y HA 0.376 4.926 4.550 0.000 0.000 0.333 1539 Y C 1.403 177.431 175.900 0.213 0.000 1.220 1539 Y CA -0.373 57.752 58.100 0.042 0.000 1.513 1539 Y CB 0.483 38.840 38.460 -0.171 0.000 1.435 1539 Y HN 0.433 nan 8.280 nan 0.000 0.489 1540 S N 0.665 116.516 115.700 0.251 0.000 3.393 1540 S HA 0.106 4.576 4.470 0.000 0.000 0.209 1540 S C 2.025 176.721 174.600 0.159 0.000 0.897 1540 S CA 0.330 58.653 58.200 0.205 0.000 0.825 1540 S CB -0.246 63.023 63.200 0.113 0.000 0.898 1540 S HN 0.703 nan 8.310 nan 0.000 0.615 1541 G N 1.136 110.000 108.800 0.108 0.000 2.776 1541 G HA2 -0.034 3.926 3.960 0.000 0.000 0.209 1541 G HA3 -0.034 3.926 3.960 0.000 0.000 0.209 1541 G C 0.341 175.304 174.900 0.105 0.000 1.145 1541 G CA 0.039 45.189 45.100 0.083 0.000 0.791 1541 G HN 0.535 nan 8.290 nan 0.000 0.530 1542 C N 2.351 121.742 119.300 0.151 0.000 2.793 1542 C HA 0.121 4.581 4.460 0.000 0.000 0.388 1542 C C 1.002 176.090 174.990 0.164 0.000 1.254 1542 C CA -0.851 58.262 59.018 0.158 0.000 1.326 1542 C CB -1.963 25.898 27.740 0.202 0.000 2.065 1542 C HN 0.494 nan 8.230 nan 0.000 0.597 1543 Q N 2.009 121.885 119.800 0.126 0.000 2.286 1543 Q HA 0.285 4.625 4.340 0.000 0.000 0.290 1543 Q C -0.216 175.886 176.000 0.169 0.000 1.049 1543 Q CA 0.771 56.656 55.803 0.136 0.000 0.923 1543 Q CB 0.595 29.396 28.738 0.106 0.000 1.183 1543 Q HN 0.686 nan 8.270 nan 0.000 0.383 1544 I N 2.116 122.829 120.570 0.239 0.000 2.433 1544 I HA 0.237 4.407 4.170 0.000 0.000 0.292 1544 I C 0.481 176.841 176.117 0.405 0.000 1.001 1544 I CA -0.701 60.781 61.300 0.304 0.000 1.119 1544 I CB 1.957 40.198 38.000 0.402 0.000 1.289 1544 I HN 0.611 nan 8.210 nan 0.000 0.438 1545 T N 1.086 115.820 114.554 0.300 0.000 2.881 1545 T HA 0.104 4.454 4.350 0.000 0.000 0.278 1545 T C 0.962 175.748 174.700 0.144 0.000 0.982 1545 T CA -0.547 61.725 62.100 0.288 0.000 0.989 1545 T CB 1.502 70.466 68.868 0.160 0.000 1.058 1545 T HN 0.825 nan 8.240 nan 0.000 0.529 1546 W N 1.056 122.176 121.300 -0.302 0.000 2.335 1546 W HA -0.153 4.507 4.660 -0.000 0.000 0.311 1546 W C 2.046 178.365 176.519 -0.332 0.000 1.213 1546 W CA 1.275 58.105 57.345 -0.857 0.000 1.274 1546 W CB -0.752 28.283 29.460 -0.709 0.000 1.148 1546 W HN 0.906 nan 8.180 nan 0.000 0.498 1547 A N 1.425 124.064 122.820 -0.301 0.000 1.852 1547 A HA -0.361 3.959 4.320 0.000 0.000 0.217 1547 A C 1.862 179.273 177.584 -0.287 0.000 1.215 1547 A CA 3.001 54.823 52.037 -0.359 0.000 0.641 1547 A CB -1.464 17.458 19.000 -0.130 0.000 0.838 1547 A HN 0.323 nan 8.150 nan 0.000 0.450 1548 K N -1.140 119.201 120.400 -0.099 0.000 2.049 1548 K HA -0.260 4.060 4.320 0.000 0.000 0.219 1548 K C 1.627 178.266 176.600 0.065 0.000 1.056 1548 K CA 2.313 58.599 56.287 -0.002 0.000 0.946 1548 K CB -0.836 31.716 32.500 0.086 0.000 0.723 1548 K HN 0.398 nan 8.250 nan 0.000 0.453 1549 F N 0.309 120.235 119.950 -0.039 0.000 2.045 1549 F HA -0.346 4.181 4.527 0.000 0.000 0.297 1549 F C 2.270 178.113 175.800 0.070 0.000 1.114 1549 F CA 2.159 60.222 58.000 0.106 0.000 1.207 1549 F CB -0.665 38.351 39.000 0.028 0.000 0.964 1549 F HN 0.453 nan 8.300 nan 0.000 0.486 1550 C N -3.503 115.447 119.300 -0.583 0.000 4.498 1550 C HA 0.303 4.763 4.460 0.000 0.000 0.505 1550 C C 2.046 176.766 174.990 -0.451 0.000 1.553 1550 C CA 0.008 58.707 59.018 -0.532 0.000 2.306 1550 C CB -0.754 26.626 27.740 -0.599 0.000 3.422 1550 C HN 0.397 nan 8.230 nan 0.000 0.612 1551 K N 1.246 121.249 120.400 -0.662 0.000 2.442 1551 K HA 0.040 4.360 4.320 0.000 0.000 0.198 1551 K C -0.148 176.292 176.600 -0.266 0.000 1.044 1551 K CA 1.165 57.154 56.287 -0.496 0.000 0.948 1551 K CB 0.103 32.219 32.500 -0.640 0.000 0.762 1551 K HN 0.564 nan 8.250 nan 0.000 0.472 1552 E N -0.024 120.044 120.200 -0.221 0.000 2.256 1552 E HA 0.259 4.609 4.350 0.000 0.000 0.267 1552 E C -1.324 175.217 176.600 -0.097 0.000 0.892 1552 E CA -0.602 55.718 56.400 -0.133 0.000 0.775 1552 E CB 1.506 31.138 29.700 -0.113 0.000 1.207 1552 E HN 0.115 nan 8.360 nan 0.000 0.420 1553 N N 2.207 120.852 118.700 -0.092 0.000 2.530 1553 N HA 0.229 4.969 4.740 0.000 0.000 0.277 1553 N C -0.192 175.230 175.510 -0.146 0.000 1.168 1553 N CA -0.336 52.651 53.050 -0.104 0.000 0.979 1553 N CB 0.662 39.086 38.487 -0.106 0.000 1.141 1553 N HN 0.307 nan 8.380 nan 0.000 0.459 1554 M N 1.945 121.418 119.600 -0.212 0.000 2.249 1554 M HA -0.036 4.444 4.480 0.000 0.000 0.340 1554 M C 1.575 177.725 176.300 -0.250 0.000 1.166 1554 M CA -0.045 55.101 55.300 -0.255 0.000 1.115 1554 M CB 0.632 33.007 32.600 -0.376 0.000 1.606 1554 M HN 0.758 nan 8.290 nan 0.000 0.448 1555 A N 3.672 126.365 122.820 -0.213 0.000 2.428 1555 A HA -0.265 4.055 4.320 0.000 0.000 0.232 1555 A C 1.877 179.352 177.584 -0.181 0.000 1.624 1555 A CA 2.756 54.687 52.037 -0.176 0.000 0.985 1555 A CB -1.900 17.000 19.000 -0.167 0.000 0.733 1555 A HN 1.054 nan 8.150 nan 0.000 0.525 1556 G N -0.740 107.942 108.800 -0.196 0.000 2.404 1556 G HA2 0.072 4.032 3.960 0.000 0.000 0.214 1556 G HA3 0.072 4.032 3.960 0.000 0.000 0.214 1556 G C 0.776 175.537 174.900 -0.232 0.000 1.189 1556 G CA 1.017 46.009 45.100 -0.181 0.000 0.789 1556 G HN 0.617 nan 8.290 nan 0.000 0.533 1557 K N 0.061 120.249 120.400 -0.352 0.000 2.584 1557 K HA 0.199 4.519 4.320 0.000 0.000 0.277 1557 K C 1.282 177.615 176.600 -0.444 0.000 0.960 1557 K CA 0.789 56.748 56.287 -0.546 0.000 0.975 1557 K CB 0.182 32.069 32.500 -1.022 0.000 0.885 1557 K HN 0.134 nan 8.250 nan 0.000 0.515 1558 G N 0.849 109.416 108.800 -0.387 0.000 3.523 1558 G HA2 0.349 4.310 3.960 0.000 0.000 0.270 1558 G HA3 0.349 4.310 3.960 0.000 0.000 0.270 1558 G C -0.537 174.417 174.900 0.089 0.000 1.134 1558 G CA -0.177 44.878 45.100 -0.075 0.000 0.825 1558 G HN 0.433 nan 8.290 nan 0.000 0.534 1559 F N -1.255 118.664 119.950 -0.050 0.000 3.129 1559 F HA 0.784 5.311 4.527 0.000 0.000 0.326 1559 F C 0.101 175.886 175.800 -0.025 0.000 1.202 1559 F CA -1.484 56.496 58.000 -0.033 0.000 0.929 1559 F CB 0.698 39.694 39.000 -0.007 0.000 1.473 1559 F HN -0.035 nan 8.300 nan 0.000 0.512 1560 S N 0.207 116.055 115.700 0.246 0.000 2.745 1560 S HA 0.455 4.925 4.470 0.000 0.000 0.292 1560 S C 0.382 175.178 174.600 0.327 0.000 1.133 1560 S CA -0.396 57.887 58.200 0.139 0.000 0.998 1560 S CB 1.229 64.448 63.200 0.031 0.000 1.087 1560 S HN 0.692 nan 8.310 nan 0.000 0.551 1561 F N 0.953 120.953 119.950 0.084 0.000 2.014 1561 F HA 0.003 4.530 4.527 0.000 0.000 0.295 1561 F C 2.050 178.060 175.800 0.349 0.000 1.145 1561 F CA 1.151 59.290 58.000 0.232 0.000 1.178 1561 F CB -1.113 37.979 39.000 0.153 0.000 0.972 1561 F HN 0.880 nan 8.300 nan 0.000 0.476 1562 W N 1.087 122.173 121.300 -0.356 0.000 2.311 1562 W HA -0.276 4.384 4.660 0.000 0.000 0.326 1562 W C 2.181 178.598 176.519 -0.169 0.000 1.239 1562 W CA 2.092 59.112 57.345 -0.541 0.000 1.258 1562 W CB -0.658 28.238 29.460 -0.941 0.000 1.165 1562 W HN -0.099 nan 8.180 nan 0.000 0.466 1563 V N 0.807 120.524 119.914 -0.329 0.000 2.277 1563 V HA -0.389 3.731 4.120 0.000 0.000 0.255 1563 V C 1.869 177.815 176.094 -0.245 0.000 1.074 1563 V CA 2.763 64.811 62.300 -0.419 0.000 1.058 1563 V CB -1.532 30.208 31.823 -0.138 0.000 0.656 1563 V HN 0.629 nan 8.190 nan 0.000 0.449 1564 W N 0.288 121.548 121.300 -0.066 0.000 2.333 1564 W HA -0.200 4.460 4.660 0.000 0.000 0.316 1564 W C 2.159 178.651 176.519 -0.044 0.000 1.215 1564 W CA 1.835 59.191 57.345 0.018 0.000 1.278 1564 W CB -0.717 29.031 29.460 0.480 0.000 1.154 1564 W HN 0.224 nan 8.180 nan 0.000 0.486 1565 L N 1.471 122.562 121.223 -0.220 0.000 2.131 1565 L HA -0.183 4.157 4.340 0.000 0.000 0.210 1565 L C 2.191 178.863 176.870 -0.330 0.000 1.092 1565 L CA 2.574 57.190 54.840 -0.374 0.000 0.759 1565 L CB -1.414 40.623 42.059 -0.037 0.000 0.903 1565 L HN 0.104 nan 8.230 nan 0.000 0.435 1566 D N -0.630 119.408 120.400 -0.603 0.000 2.158 1566 D HA -0.229 4.411 4.640 0.000 0.000 0.197 1566 D C 1.550 177.608 176.300 -0.403 0.000 0.995 1566 D CA 1.240 54.824 54.000 -0.694 0.000 0.846 1566 D CB 0.053 40.123 40.800 -1.216 0.000 0.941 1566 D HN 0.510 nan 8.370 nan 0.000 0.456 1567 N N 0.142 118.598 118.700 -0.407 0.000 2.376 1567 N HA -0.028 4.712 4.740 0.000 0.000 0.177 1567 N C 2.143 177.442 175.510 -0.352 0.000 1.024 1567 N CA 0.284 53.144 53.050 -0.315 0.000 0.893 1567 N CB 0.158 38.474 38.487 -0.285 0.000 0.980 1567 N HN 0.391 nan 8.380 nan 0.000 0.439 1568 I N 0.860 121.132 120.570 -0.497 0.000 2.493 1568 I HA -0.162 4.008 4.170 0.000 0.000 0.254 1568 I C 1.942 177.752 176.117 -0.512 0.000 1.160 1568 I CA 0.836 61.707 61.300 -0.714 0.000 1.445 1568 I CB -0.192 37.289 38.000 -0.865 0.000 1.086 1568 I HN 0.015 nan 8.210 nan 0.000 0.433 1569 I N 0.947 121.311 120.570 -0.344 0.000 2.272 1569 I HA -0.231 3.939 4.170 0.000 0.000 0.235 1569 I C 2.313 178.260 176.117 -0.283 0.000 1.071 1569 I CA 1.485 62.574 61.300 -0.353 0.000 1.374 1569 I CB -0.446 37.358 38.000 -0.326 0.000 1.121 1569 I HN 0.115 nan 8.210 nan 0.000 0.420 1570 D N 0.885 121.150 120.400 -0.225 0.000 2.239 1570 D HA -0.227 4.413 4.640 0.000 0.000 0.202 1570 D C 2.083 178.341 176.300 -0.070 0.000 0.993 1570 D CA 1.060 54.967 54.000 -0.155 0.000 0.874 1570 D CB 0.072 40.798 40.800 -0.124 0.000 0.922 1570 D HN 0.115 nan 8.370 nan 0.000 0.464 1571 L N 0.225 121.404 121.223 -0.073 0.000 1.973 1571 L HA -0.126 4.214 4.340 0.000 0.000 0.208 1571 L C 2.376 179.277 176.870 0.052 0.000 1.073 1571 L CA 1.352 56.232 54.840 0.068 0.000 0.746 1571 L CB -1.165 40.840 42.059 -0.091 0.000 0.891 1571 L HN 0.073 nan 8.230 nan 0.000 0.433 1572 V N 0.766 120.636 119.914 -0.073 0.000 2.278 1572 V HA -0.362 3.758 4.120 0.000 0.000 0.251 1572 V C 2.695 178.714 176.094 -0.125 0.000 1.062 1572 V CA 2.327 64.569 62.300 -0.096 0.000 1.038 1572 V CB -0.875 30.759 31.823 -0.314 0.000 0.646 1572 V HN 0.505 nan 8.190 nan 0.000 0.447 1573 K N 0.216 120.509 120.400 -0.179 0.000 1.964 1573 K HA -0.219 4.101 4.320 0.000 0.000 0.218 1573 K C 2.304 178.805 176.600 -0.165 0.000 1.043 1573 K CA 1.845 58.029 56.287 -0.172 0.000 0.966 1573 K CB -0.251 32.129 32.500 -0.199 0.000 0.739 1573 K HN 0.336 nan 8.250 nan 0.000 0.443 1574 K N -0.526 119.726 120.400 -0.246 0.000 1.971 1574 K HA -0.156 4.164 4.320 0.000 0.000 0.221 1574 K C 0.341 176.675 176.600 -0.443 0.000 1.050 1574 K CA 1.651 57.653 56.287 -0.475 0.000 0.967 1574 K CB -0.312 31.665 32.500 -0.872 0.000 0.733 1574 K HN 0.179 nan 8.250 nan 0.000 0.445 1575 Y N -0.134 120.154 120.300 -0.021 0.000 2.330 1575 Y HA 0.345 4.895 4.550 0.000 0.000 0.336 1575 Y C 0.237 176.158 175.900 0.035 0.000 1.036 1575 Y CA -1.007 57.104 58.100 0.018 0.000 1.125 1575 Y CB 0.504 38.973 38.460 0.015 0.000 1.194 1575 Y HN 0.080 nan 8.280 nan 0.000 0.469 1576 I N 2.213 122.919 120.570 0.226 0.000 6.251 1576 I HA -0.296 3.874 4.170 0.000 0.000 0.126 1576 I C 0.028 176.275 176.117 0.217 0.000 1.823 1576 I CA -0.020 61.418 61.300 0.230 0.000 2.038 1576 I CB -0.914 37.182 38.000 0.161 0.000 3.460 1576 I HN 0.607 nan 8.210 nan 0.000 0.169 1577 L N 2.417 123.742 121.223 0.171 0.000 2.296 1577 L HA 0.370 4.710 4.340 0.000 0.000 0.193 1577 L C 2.412 179.413 176.870 0.219 0.000 1.123 1577 L CA 2.224 57.146 54.840 0.138 0.000 0.805 1577 L CB -0.448 41.639 42.059 0.046 0.000 1.004 1577 L HN 0.387 nan 8.230 nan 0.000 0.478 1578 A N -0.885 122.026 122.820 0.152 0.000 2.209 1578 A HA -0.014 4.306 4.320 0.000 0.000 0.212 1578 A C 1.912 179.614 177.584 0.197 0.000 1.158 1578 A CA 1.131 53.235 52.037 0.112 0.000 0.742 1578 A CB -0.724 18.269 19.000 -0.013 0.000 0.790 1578 A HN 0.472 nan 8.150 nan 0.000 0.472 1579 L N -1.748 119.653 121.223 0.297 0.000 2.209 1579 L HA -0.035 4.305 4.340 0.000 0.000 0.207 1579 L C 2.249 179.317 176.870 0.331 0.000 1.094 1579 L CA 0.911 55.983 54.840 0.388 0.000 0.790 1579 L CB -0.519 41.794 42.059 0.423 0.000 0.932 1579 L HN 0.848 nan 8.230 nan 0.000 0.447 1580 W N 0.552 121.926 121.300 0.124 0.000 3.197 1580 W HA 0.038 4.698 4.660 0.000 0.000 0.274 1580 W C 1.682 178.213 176.519 0.021 0.000 1.297 1580 W CA 0.215 57.624 57.345 0.106 0.000 1.662 1580 W CB -0.425 29.137 29.460 0.171 0.000 1.106 1580 W HN 0.292 nan 8.180 nan 0.000 0.663 1581 N N 1.984 120.784 118.700 0.166 0.000 2.103 1581 N HA -0.314 4.426 4.740 0.000 0.000 0.200 1581 N C 0.362 175.737 175.510 -0.226 0.000 1.016 1581 N CA 3.338 56.396 53.050 0.014 0.000 0.890 1581 N CB -0.368 38.114 38.487 -0.009 0.000 1.075 1581 N HN 0.044 nan 8.380 nan 0.000 0.506 1582 E N -0.233 119.718 120.200 -0.415 0.000 2.354 1582 E HA 0.345 4.695 4.350 0.000 0.000 0.260 1582 E C 0.987 177.374 176.600 -0.354 0.000 1.405 1582 E CA 0.269 56.421 56.400 -0.412 0.000 1.728 1582 E CB -0.170 29.227 29.700 -0.505 0.000 1.471 1582 E HN 0.485 nan 8.360 nan 0.000 0.441 1583 G N 1.195 109.740 108.800 -0.425 0.000 3.879 1583 G HA2 -0.505 3.455 3.960 0.000 0.000 0.318 1583 G HA3 -0.505 3.455 3.960 0.000 0.000 0.318 1583 G C 0.947 175.765 174.900 -0.138 0.000 1.344 1583 G CA 0.377 45.252 45.100 -0.376 0.000 1.024 1583 G HN 0.502 nan 8.290 nan 0.000 0.681 1584 Y N -1.234 118.980 120.300 -0.144 0.000 3.637 1584 Y HA -0.304 4.246 4.550 0.000 0.000 0.424 1584 Y C 1.070 176.992 175.900 0.037 0.000 1.044 1584 Y CA 1.055 59.124 58.100 -0.052 0.000 2.597 1584 Y CB -0.860 37.560 38.460 -0.066 0.000 0.881 1584 Y HN 0.442 nan 8.280 nan 0.000 0.528 1585 I N 1.307 121.955 120.570 0.131 0.000 2.328 1585 I HA 0.047 4.217 4.170 0.000 0.000 0.287 1585 I C 0.963 177.066 176.117 -0.024 0.000 1.012 1585 I CA -0.188 61.158 61.300 0.077 0.000 1.195 1585 I CB 1.174 39.280 38.000 0.176 0.000 1.350 1585 I HN 0.260 nan 8.210 nan 0.000 0.464 1586 M N 3.241 122.830 119.600 -0.018 0.000 2.394 1586 M HA -0.036 4.444 4.480 0.000 0.000 0.264 1586 M C 1.918 178.189 176.300 -0.047 0.000 1.073 1586 M CA 1.094 56.383 55.300 -0.017 0.000 1.111 1586 M CB -0.335 32.270 32.600 0.008 0.000 1.401 1586 M HN 0.910 nan 8.290 nan 0.000 0.448 1587 G N 1.241 109.890 108.800 -0.250 0.000 3.947 1587 G HA2 -0.337 3.623 3.960 0.000 0.000 0.365 1587 G HA3 -0.337 3.623 3.960 0.000 0.000 0.365 1587 G C 0.097 174.763 174.900 -0.389 0.000 1.532 1587 G CA 0.789 45.523 45.100 -0.609 0.000 1.426 1587 G HN 0.434 nan 8.290 nan 0.000 0.794 1588 F N 1.168 121.272 119.950 0.258 0.000 2.385 1588 F HA 0.791 5.318 4.527 0.000 0.000 0.360 1588 F C 0.517 176.427 175.800 0.182 0.000 1.122 1588 F CA -0.478 57.694 58.000 0.288 0.000 1.090 1588 F CB 1.547 40.746 39.000 0.332 0.000 1.150 1588 F HN 0.409 nan 8.300 nan 0.000 0.472 1589 I N 1.962 122.711 120.570 0.300 0.000 2.690 1589 I HA 0.214 4.384 4.170 0.000 0.000 0.286 1589 I C -0.749 175.468 176.117 0.165 0.000 1.313 1589 I CA -0.244 61.168 61.300 0.187 0.000 1.070 1589 I CB 1.181 39.248 38.000 0.111 0.000 1.323 1589 I HN 0.380 nan 8.210 nan 0.000 0.432 1590 S N 6.872 122.655 115.700 0.137 0.000 2.673 1590 S HA -0.013 4.457 4.470 0.000 0.000 0.308 1590 S C 1.251 175.900 174.600 0.082 0.000 1.246 1590 S CA -0.026 58.234 58.200 0.100 0.000 1.077 1590 S CB 0.622 63.864 63.200 0.071 0.000 0.814 1590 S HN 0.660 nan 8.310 nan 0.000 0.503 1591 K N 1.974 122.419 120.400 0.074 0.000 2.144 1591 K HA -0.239 4.081 4.320 0.000 0.000 0.209 1591 K C 2.124 178.751 176.600 0.046 0.000 1.047 1591 K CA 1.408 57.730 56.287 0.058 0.000 0.927 1591 K CB -0.038 32.484 32.500 0.037 0.000 0.716 1591 K HN 0.570 nan 8.250 nan 0.000 0.454 1592 E N 1.437 121.660 120.200 0.038 0.000 1.998 1592 E HA -0.209 4.141 4.350 0.000 0.000 0.196 1592 E C 1.921 178.545 176.600 0.041 0.000 1.003 1592 E CA 1.257 57.675 56.400 0.031 0.000 0.829 1592 E CB -0.218 29.496 29.700 0.023 0.000 0.777 1592 E HN -0.011 nan 8.360 nan 0.000 0.460 1593 R N 1.637 122.164 120.500 0.045 0.000 2.244 1593 R HA -0.180 4.160 4.340 0.000 0.000 0.252 1593 R C 1.892 178.224 176.300 0.053 0.000 1.177 1593 R CA 1.948 58.075 56.100 0.046 0.000 1.004 1593 R CB -0.717 29.613 30.300 0.049 0.000 0.873 1593 R HN 0.339 nan 8.270 nan 0.000 0.469 1594 E N -0.522 119.716 120.200 0.064 0.000 2.515 1594 E HA -0.133 4.217 4.350 0.000 0.000 0.201 1594 E C 1.033 177.687 176.600 0.090 0.000 1.071 1594 E CA 0.116 56.564 56.400 0.081 0.000 0.880 1594 E CB 0.078 29.830 29.700 0.086 0.000 0.828 1594 E HN 0.176 nan 8.360 nan 0.000 0.540 1595 R N -0.211 120.333 120.500 0.073 0.000 2.100 1595 R HA 0.100 4.440 4.340 0.000 0.000 0.220 1595 R C 1.215 177.571 176.300 0.093 0.000 1.091 1595 R CA 0.815 56.957 56.100 0.069 0.000 0.986 1595 R CB -0.241 30.087 30.300 0.045 0.000 0.888 1595 R HN 0.051 nan 8.270 nan 0.000 0.444 1596 A N 1.564 124.443 122.820 0.098 0.000 2.711 1596 A HA 0.078 4.398 4.320 0.000 0.000 0.242 1596 A C 1.410 179.137 177.584 0.238 0.000 1.607 1596 A CA 0.228 52.341 52.037 0.126 0.000 1.370 1596 A CB -1.034 18.020 19.000 0.090 0.000 0.934 1596 A HN 0.428 nan 8.150 nan 0.000 0.628 1597 I N -4.736 115.987 120.570 0.255 0.000 3.674 1597 I HA 0.337 4.507 4.170 0.000 0.000 0.248 1597 I C 1.538 177.765 176.117 0.184 0.000 1.134 1597 I CA 0.106 61.656 61.300 0.416 0.000 1.519 1597 I CB -0.035 38.186 38.000 0.369 0.000 1.598 1597 I HN 0.055 nan 8.210 nan 0.000 0.442 1598 L N 1.208 122.515 121.223 0.140 0.000 2.307 1598 L HA 0.294 4.634 4.340 0.000 0.000 0.211 1598 L C 1.376 178.288 176.870 0.069 0.000 1.099 1598 L CA 1.058 55.954 54.840 0.094 0.000 0.816 1598 L CB -0.061 42.068 42.059 0.117 0.000 0.952 1598 L HN 0.274 nan 8.230 nan 0.000 0.455 1599 S N -0.952 114.796 115.700 0.080 0.000 3.864 1599 S HA 0.141 4.611 4.470 0.000 0.000 0.202 1599 S C 0.915 175.554 174.600 0.065 0.000 1.402 1599 S CA 0.793 59.031 58.200 0.062 0.000 1.072 1599 S CB -0.456 62.780 63.200 0.059 0.000 1.383 1599 S HN 0.632 nan 8.310 nan 0.000 0.458 1600 T N -0.722 113.861 114.554 0.048 0.000 4.035 1600 T HA -0.024 4.326 4.350 0.000 0.000 0.327 1600 T C -0.488 174.206 174.700 -0.010 0.000 0.826 1600 T CA -0.192 61.929 62.100 0.034 0.000 1.268 1600 T CB -0.435 68.478 68.868 0.076 0.000 0.917 1600 T HN 0.193 nan 8.240 nan 0.000 0.477 1601 K N 2.691 123.057 120.400 -0.058 0.000 2.140 1601 K HA 0.468 4.788 4.320 0.000 0.000 0.237 1601 K C -2.493 174.089 176.600 -0.030 0.000 1.045 1601 K CA -1.856 54.362 56.287 -0.114 0.000 0.896 1601 K CB -0.311 32.022 32.500 -0.279 0.000 1.122 1601 K HN 0.412 nan 8.250 nan 0.000 0.503 1602 P HA 0.109 nan 4.420 nan 0.000 0.271 1602 P C -2.464 174.908 177.300 0.120 0.000 1.220 1602 P CA -1.221 61.919 63.100 0.067 0.000 0.768 1602 P CB -0.202 31.556 31.700 0.095 0.000 0.848 1603 P HA -0.090 nan 4.420 nan 0.000 0.257 1603 P C 0.946 178.326 177.300 0.133 0.000 1.162 1603 P CA 1.281 64.451 63.100 0.116 0.000 0.762 1603 P CB -0.185 31.570 31.700 0.091 0.000 0.753 1604 G N 2.254 111.156 108.800 0.169 0.000 2.428 1604 G HA2 -0.182 3.778 3.960 0.000 0.000 0.199 1604 G HA3 -0.182 3.778 3.960 0.000 0.000 0.199 1604 G C 0.281 175.303 174.900 0.203 0.000 1.005 1604 G CA 0.138 45.311 45.100 0.122 0.000 0.671 1604 G HN 0.829 nan 8.290 nan 0.000 0.485 1605 T N 0.378 115.071 114.554 0.232 0.000 2.903 1605 T HA 0.541 4.891 4.350 0.000 0.000 0.314 1605 T C 0.095 174.970 174.700 0.292 0.000 1.078 1605 T CA 0.648 62.870 62.100 0.204 0.000 1.114 1605 T CB 0.969 69.852 68.868 0.025 0.000 0.987 1605 T HN 1.476 nan 8.240 nan 0.000 0.548 1606 F N -0.172 119.843 119.950 0.109 0.000 2.643 1606 F HA 0.805 5.332 4.527 0.000 0.000 0.314 1606 F C -1.135 174.809 175.800 0.241 0.000 1.096 1606 F CA -1.745 56.360 58.000 0.176 0.000 0.953 1606 F CB 0.562 39.609 39.000 0.078 0.000 1.345 1606 F HN 0.466 nan 8.300 nan 0.000 0.468 1607 L N 1.071 122.552 121.223 0.431 0.000 2.994 1607 L HA 0.685 5.025 4.340 0.000 0.000 0.198 1607 L C -0.753 176.367 176.870 0.416 0.000 1.530 1607 L CA -0.887 54.154 54.840 0.334 0.000 1.565 1607 L CB 0.720 42.947 42.059 0.280 0.000 2.470 1607 L HN 0.718 nan 8.230 nan 0.000 0.564 1608 L N 0.439 121.835 121.223 0.289 0.000 2.868 1608 L HA 0.230 4.570 4.340 0.000 0.000 0.235 1608 L C -0.903 175.964 176.870 -0.004 0.000 0.993 1608 L CA -0.364 54.632 54.840 0.259 0.000 1.070 1608 L CB 0.546 42.808 42.059 0.339 0.000 1.371 1608 L HN 0.593 nan 8.230 nan 0.000 0.554 1609 R N 0.101 120.584 120.500 -0.028 0.000 2.810 1609 R HA 0.803 5.143 4.340 0.000 0.000 0.245 1609 R C -1.229 174.918 176.300 -0.255 0.000 1.168 1609 R CA -0.699 55.294 56.100 -0.178 0.000 1.096 1609 R CB 1.213 31.521 30.300 0.015 0.000 1.259 1609 R HN -0.021 nan 8.270 nan 0.000 0.518 1610 F N -0.116 119.836 119.950 0.005 0.000 2.436 1610 F HA 0.312 4.839 4.527 0.000 0.000 0.340 1610 F C 0.675 176.594 175.800 0.199 0.000 1.113 1610 F CA -0.882 57.138 58.000 0.034 0.000 1.022 1610 F CB 2.082 41.031 39.000 -0.085 0.000 1.128 1610 F HN 0.514 nan 8.300 nan 0.000 0.466 1611 S N 1.911 117.834 115.700 0.372 0.000 2.525 1611 S HA 0.019 4.489 4.470 0.000 0.000 0.285 1611 S C 1.106 176.003 174.600 0.494 0.000 1.283 1611 S CA -0.205 58.177 58.200 0.304 0.000 1.072 1611 S CB 0.248 63.554 63.200 0.177 0.000 0.867 1611 S HN 0.707 nan 8.310 nan 0.000 0.492 1612 E N 2.529 122.896 120.200 0.279 0.000 2.371 1612 E HA -0.051 4.299 4.350 0.000 0.000 0.194 1612 E C 1.751 178.230 176.600 -0.202 0.000 1.012 1612 E CA 0.837 57.215 56.400 -0.037 0.000 0.860 1612 E CB 0.088 29.719 29.700 -0.115 0.000 0.811 1612 E HN 0.795 nan 8.360 nan 0.000 0.502 1613 S N 0.717 116.442 115.700 0.042 0.000 2.421 1613 S HA -0.026 4.444 4.470 0.000 0.000 0.224 1613 S C 1.337 176.145 174.600 0.348 0.000 1.035 1613 S CA -0.183 58.077 58.200 0.101 0.000 0.953 1613 S CB -0.050 63.178 63.200 0.047 0.000 0.810 1613 S HN 0.083 nan 8.310 nan 0.000 0.497 1614 S N 1.569 117.432 115.700 0.272 0.000 2.465 1614 S HA 0.430 4.900 4.470 0.000 0.000 0.279 1614 S C 0.447 175.058 174.600 0.018 0.000 1.201 1614 S CA -0.848 57.439 58.200 0.145 0.000 1.053 1614 S CB 1.701 64.949 63.200 0.081 0.000 0.953 1614 S HN 0.359 nan 8.310 nan 0.000 0.488 1615 K N 1.720 121.795 120.400 -0.541 0.000 2.148 1615 K HA -0.095 4.225 4.320 0.000 0.000 0.204 1615 K C 1.340 177.720 176.600 -0.367 0.000 1.050 1615 K CA 1.250 56.959 56.287 -0.962 0.000 0.942 1615 K CB -0.025 31.742 32.500 -1.222 0.000 0.724 1615 K HN 0.701 nan 8.250 nan 0.000 0.446 1616 E N -0.013 120.049 120.200 -0.229 0.000 2.403 1616 E HA 0.106 4.456 4.350 0.000 0.000 0.187 1616 E C -0.696 175.822 176.600 -0.137 0.000 1.073 1616 E CA 0.330 56.628 56.400 -0.170 0.000 0.888 1616 E CB 0.225 29.846 29.700 -0.132 0.000 1.035 1616 E HN 0.426 nan 8.360 nan 0.000 0.471 1617 G N -0.772 107.966 108.800 -0.104 0.000 3.285 1617 G HA2 0.066 4.026 3.960 0.000 0.000 0.685 1617 G HA3 0.066 4.026 3.960 0.000 0.000 0.685 1617 G C 0.003 174.892 174.900 -0.018 0.000 0.938 1617 G CA -0.383 44.659 45.100 -0.098 0.000 0.778 1617 G HN 0.507 nan 8.290 nan 0.000 0.515 1618 G N -0.077 108.773 108.800 0.084 0.000 2.732 1618 G HA2 0.824 4.784 3.960 0.000 0.000 0.295 1618 G HA3 0.824 4.784 3.960 0.000 0.000 0.295 1618 G C -0.233 174.757 174.900 0.151 0.000 1.456 1618 G CA 0.223 45.370 45.100 0.078 0.000 1.050 1618 G HN 2.085 nan 8.290 nan 0.000 0.525 1619 V N 0.710 120.664 119.914 0.067 0.000 2.294 1619 V HA 0.729 4.849 4.120 0.000 0.000 0.272 1619 V C 0.379 176.504 176.094 0.050 0.000 1.027 1619 V CA -0.339 61.968 62.300 0.012 0.000 0.823 1619 V CB 0.216 31.863 31.823 -0.293 0.000 1.030 1619 V HN 0.665 nan 8.190 nan 0.000 0.457 1620 T N 4.429 118.941 114.554 -0.071 0.000 2.946 1620 T HA 0.891 5.241 4.350 0.000 0.000 0.295 1620 T C -0.659 173.938 174.700 -0.170 0.000 1.143 1620 T CA -0.128 61.762 62.100 -0.350 0.000 0.944 1620 T CB 0.984 69.667 68.868 -0.308 0.000 1.800 1620 T HN 1.043 nan 8.240 nan 0.000 0.590 1621 F N -1.389 118.692 119.950 0.219 0.000 2.719 1621 F HA 0.684 5.211 4.527 0.000 0.000 0.309 1621 F C -0.792 175.226 175.800 0.364 0.000 1.138 1621 F CA -1.213 56.956 58.000 0.280 0.000 0.943 1621 F CB 0.807 39.938 39.000 0.218 0.000 1.304 1621 F HN 0.430 nan 8.300 nan 0.000 0.445 1622 T N 1.706 116.682 114.554 0.703 0.000 2.916 1622 T HA 0.775 5.125 4.350 0.000 0.000 0.292 1622 T C -1.464 173.705 174.700 0.782 0.000 1.064 1622 T CA -0.494 61.970 62.100 0.606 0.000 1.011 1622 T CB 2.194 71.255 68.868 0.321 0.000 1.152 1622 T HN 0.824 nan 8.240 nan 0.000 0.510 1632 T N 2.538 117.102 114.554 0.016 0.000 2.817 1632 T HA -0.257 4.093 4.350 0.000 0.000 0.463 1632 T C 0.477 175.183 174.700 0.009 0.000 0.778 1632 T CA 1.309 63.423 62.100 0.023 0.000 2.609 1632 T CB -0.876 68.017 68.868 0.042 0.000 1.527 1632 T HN 0.482 nan 8.240 nan 0.000 0.470 1633 Q N 0.649 120.439 119.800 -0.016 0.000 3.159 1633 Q HA 0.244 4.584 4.340 0.000 0.000 0.197 1633 Q C 0.058 176.010 176.000 -0.081 0.000 1.171 1633 Q CA -0.020 55.757 55.803 -0.044 0.000 1.232 1633 Q CB 0.336 29.037 28.738 -0.061 0.000 1.363 1633 Q HN 0.555 nan 8.270 nan 0.000 0.699 1634 I N 0.480 120.979 120.570 -0.118 0.000 2.603 1634 I HA 0.292 4.462 4.170 0.000 0.000 0.300 1634 I C -0.918 174.999 176.117 -0.333 0.000 1.017 1634 I CA -0.111 61.081 61.300 -0.181 0.000 1.098 1634 I CB 2.024 39.979 38.000 -0.075 0.000 1.279 1634 I HN 0.615 nan 8.210 nan 0.000 0.437 1635 Q N 3.582 123.019 119.800 -0.605 0.000 2.309 1635 Q HA 0.466 4.806 4.340 0.000 0.000 0.254 1635 Q C -1.423 174.267 176.000 -0.517 0.000 0.938 1635 Q CA -0.539 54.849 55.803 -0.692 0.000 0.789 1635 Q CB 1.976 30.048 28.738 -1.110 0.000 1.313 1635 Q HN 0.539 nan 8.270 nan 0.000 0.438 1636 S N 1.774 117.410 115.700 -0.106 0.000 2.420 1636 S HA 0.306 4.776 4.470 0.000 0.000 0.313 1636 S C 0.280 174.962 174.600 0.136 0.000 1.079 1636 S CA -0.491 57.783 58.200 0.123 0.000 1.104 1636 S CB 1.440 64.684 63.200 0.073 0.000 0.969 1636 S HN 0.453 nan 8.310 nan 0.000 0.471 1637 V N 2.357 122.446 119.914 0.293 0.000 3.893 1637 V HA 0.047 4.167 4.120 0.000 0.000 0.284 1637 V C 0.790 176.802 176.094 -0.137 0.000 1.040 1637 V CA 0.062 62.456 62.300 0.156 0.000 1.050 1637 V CB 0.613 32.619 31.823 0.306 0.000 1.209 1637 V HN 0.899 nan 8.190 nan 0.000 0.457 1638 E N 3.313 123.396 120.200 -0.195 0.000 2.324 1638 E HA 0.228 4.578 4.350 0.000 0.000 0.271 1638 E C -2.244 173.912 176.600 -0.740 0.000 1.028 1638 E CA -1.493 54.725 56.400 -0.303 0.000 0.890 1638 E CB 0.830 30.438 29.700 -0.154 0.000 1.004 1638 E HN 0.451 nan 8.360 nan 0.000 0.431 1639 P HA -0.078 nan 4.420 nan 0.000 0.270 1639 P C -1.126 175.728 177.300 -0.744 0.000 1.227 1639 P CA 0.298 63.049 63.100 -0.581 0.000 0.788 1639 P CB 0.298 31.874 31.700 -0.206 0.000 0.926 1640 Y N -1.408 118.887 120.300 -0.009 0.000 2.332 1640 Y HA 0.314 4.864 4.550 0.000 0.000 0.326 1640 Y C 1.179 177.067 175.900 -0.020 0.000 0.978 1640 Y CA -0.680 57.429 58.100 0.015 0.000 1.205 1640 Y CB 1.169 39.697 38.460 0.114 0.000 1.131 1640 Y HN 0.238 nan 8.280 nan 0.000 0.462 1641 T N 1.543 116.139 114.554 0.070 0.000 2.816 1641 T HA 0.183 4.533 4.350 0.000 0.000 0.282 1641 T C 1.372 175.985 174.700 -0.144 0.000 0.993 1641 T CA -0.396 61.677 62.100 -0.045 0.000 0.994 1641 T CB 0.728 69.563 68.868 -0.054 0.000 1.025 1641 T HN 0.779 nan 8.240 nan 0.000 0.529 1642 K N 0.832 121.055 120.400 -0.295 0.000 2.077 1642 K HA -0.249 4.071 4.320 0.000 0.000 0.213 1642 K C 2.396 178.746 176.600 -0.416 0.000 1.051 1642 K CA 2.059 57.969 56.287 -0.629 0.000 0.929 1642 K CB -0.193 31.987 32.500 -0.533 0.000 0.715 1642 K HN 0.617 nan 8.250 nan 0.000 0.451 1643 Q N 0.217 119.907 119.800 -0.183 0.000 2.197 1643 Q HA -0.213 4.127 4.340 0.000 0.000 0.207 1643 Q C 2.213 178.182 176.000 -0.052 0.000 0.984 1643 Q CA 1.321 57.076 55.803 -0.080 0.000 0.869 1643 Q CB 0.013 28.729 28.738 -0.038 0.000 0.906 1643 Q HN 0.349 nan 8.270 nan 0.000 0.426 1644 Q N 0.432 120.202 119.800 -0.049 0.000 2.020 1644 Q HA -0.060 4.280 4.340 0.000 0.000 0.198 1644 Q C 1.906 177.908 176.000 0.003 0.000 0.974 1644 Q CA 0.952 56.755 55.803 -0.001 0.000 0.829 1644 Q CB -0.480 28.294 28.738 0.060 0.000 0.894 1644 Q HN 0.418 nan 8.270 nan 0.000 0.433 1645 L N 1.322 122.522 121.223 -0.038 0.000 2.955 1645 L HA -0.103 4.237 4.340 0.000 0.000 0.260 1645 L C -0.006 176.927 176.870 0.105 0.000 1.146 1645 L CA -0.035 54.823 54.840 0.031 0.000 0.905 1645 L CB -0.941 41.057 42.059 -0.101 0.000 1.136 1645 L HN 0.076 nan 8.230 nan 0.000 0.438 1651 A N -0.091 122.933 122.820 0.340 0.000 2.172 1651 A HA -0.009 4.311 4.320 0.000 0.000 0.216 1651 A C 1.722 179.384 177.584 0.130 0.000 1.154 1651 A CA 2.058 54.273 52.037 0.296 0.000 0.701 1651 A CB -0.329 18.867 19.000 0.327 0.000 0.789 1651 A HN 0.397 nan 8.150 nan 0.000 0.465 1652 E N -0.640 119.589 120.200 0.048 0.000 2.290 1652 E HA 0.209 4.559 4.350 0.000 0.000 0.197 1652 E C 1.519 178.035 176.600 -0.141 0.000 0.948 1652 E CA 0.209 56.592 56.400 -0.029 0.000 0.895 1652 E CB -0.123 29.577 29.700 0.001 0.000 0.865 1652 E HN 0.602 nan 8.360 nan 0.000 0.486 1653 I N 0.879 121.305 120.570 -0.240 0.000 2.850 1653 I HA -0.150 4.020 4.170 0.000 0.000 0.266 1653 I C 0.819 176.703 176.117 -0.388 0.000 1.257 1653 I CA 0.516 61.600 61.300 -0.360 0.000 1.465 1653 I CB 0.028 37.670 38.000 -0.596 0.000 1.091 1653 I HN 0.122 nan 8.210 nan 0.000 0.467 1654 I N 0.052 120.381 120.570 -0.400 0.000 3.956 1654 I HA 0.081 4.251 4.170 0.000 0.000 0.333 1654 I C 1.305 177.162 176.117 -0.433 0.000 1.302 1654 I CA 0.650 61.636 61.300 -0.524 0.000 1.122 1654 I CB 0.225 37.911 38.000 -0.523 0.000 1.013 1654 I HN 0.256 nan 8.210 nan 0.000 0.405 1655 M N -0.837 118.605 119.600 -0.263 0.000 2.260 1655 M HA 0.330 4.810 4.480 0.000 0.000 0.326 1655 M C 1.533 177.731 176.300 -0.169 0.000 0.930 1655 M CA 0.295 55.481 55.300 -0.190 0.000 1.051 1655 M CB 0.496 33.045 32.600 -0.085 0.000 1.748 1655 M HN 0.108 nan 8.290 nan 0.000 0.606 1656 G N -0.801 107.898 108.800 -0.168 0.000 2.613 1656 G HA2 -0.027 3.933 3.960 0.000 0.000 0.218 1656 G HA3 -0.027 3.933 3.960 0.000 0.000 0.218 1656 G C -0.248 174.582 174.900 -0.116 0.000 1.508 1656 G CA -0.131 44.896 45.100 -0.122 0.000 0.788 1656 G HN 0.268 nan 8.290 nan 0.000 0.603 1657 Y N 3.398 123.548 120.300 -0.251 0.000 2.462 1657 Y HA -0.136 4.414 4.550 0.000 0.000 0.417 1657 Y C 0.718 176.457 175.900 -0.268 0.000 1.081 1657 Y CA -0.178 57.776 58.100 -0.243 0.000 1.558 1657 Y CB -0.304 37.976 38.460 -0.300 0.000 1.081 1657 Y HN 0.027 nan 8.280 nan 0.000 0.454 1664 N N 1.426 120.116 118.700 -0.017 0.000 2.844 1664 N HA -0.220 4.520 4.740 0.000 0.000 0.230 1664 N C -0.080 175.408 175.510 -0.036 0.000 0.821 1664 N CA 1.802 54.838 53.050 -0.023 0.000 1.228 1664 N CB -2.000 36.475 38.487 -0.019 0.000 0.992 1664 N HN 0.869 nan 8.380 nan 0.000 0.622 1665 I N 1.398 121.945 120.570 -0.038 0.000 3.022 1665 I HA -0.151 4.019 4.170 0.000 0.000 0.290 1665 I C 0.395 176.470 176.117 -0.071 0.000 1.212 1665 I CA 0.053 61.323 61.300 -0.050 0.000 1.377 1665 I CB -0.239 37.732 38.000 -0.048 0.000 1.417 1665 I HN 0.137 nan 8.210 nan 0.000 0.540 1666 L N 8.850 130.026 121.223 -0.079 0.000 2.737 1666 L HA -0.027 4.313 4.340 0.000 0.000 0.288 1666 L C 0.785 177.571 176.870 -0.141 0.000 1.185 1666 L CA 0.438 55.212 54.840 -0.111 0.000 1.127 1666 L CB -0.525 41.472 42.059 -0.104 0.000 1.432 1666 L HN 0.492 nan 8.230 nan 0.000 0.449 1667 V N 0.799 120.619 119.914 -0.157 0.000 4.096 1667 V HA 0.208 4.328 4.120 0.000 0.000 0.290 1667 V C 0.831 176.779 176.094 -0.243 0.000 1.025 1667 V CA -0.026 62.166 62.300 -0.180 0.000 1.064 1667 V CB 0.021 31.739 31.823 -0.174 0.000 1.187 1667 V HN 0.775 nan 8.190 nan 0.000 0.462 1668 S N 0.025 115.564 115.700 -0.270 0.000 2.704 1668 S HA 0.645 5.115 4.470 0.000 0.000 0.305 1668 S C -2.715 171.615 174.600 -0.450 0.000 1.107 1668 S CA -1.407 56.603 58.200 -0.318 0.000 0.993 1668 S CB 1.566 64.613 63.200 -0.255 0.000 1.110 1668 S HN 0.945 nan 8.310 nan 0.000 0.534 1669 P HA 0.202 nan 4.420 nan 0.000 0.268 1669 P C -0.205 176.688 177.300 -0.678 0.000 1.541 1669 P CA -0.434 62.268 63.100 -0.663 0.000 1.093 1669 P CB -0.138 31.193 31.700 -0.615 0.000 1.551 1670 L N 3.636 124.443 121.223 -0.693 0.000 3.184 1670 L HA -0.144 4.196 4.340 0.000 0.000 0.341 1670 L C 1.294 177.943 176.870 -0.369 0.000 1.112 1670 L CA 1.108 55.665 54.840 -0.471 0.000 0.842 1670 L CB -1.045 40.765 42.059 -0.415 0.000 1.260 1670 L HN 0.247 nan 8.230 nan 0.000 0.573 1671 V N 2.799 122.522 119.914 -0.318 0.000 3.170 1671 V HA 0.587 4.707 4.120 0.000 0.000 0.309 1671 V C -0.518 175.484 176.094 -0.154 0.000 1.071 1671 V CA -0.970 61.161 62.300 -0.282 0.000 1.063 1671 V CB 1.042 32.455 31.823 -0.684 0.000 1.123 1671 V HN 0.635 nan 8.190 nan 0.000 0.464 1672 Y N -1.392 119.023 120.300 0.192 0.000 2.635 1672 Y HA -0.045 4.505 4.550 0.000 0.000 0.027 1672 Y C -0.357 175.262 175.900 -0.469 0.000 1.847 1672 Y CA -0.518 57.543 58.100 -0.065 0.000 1.327 1672 Y CB -1.713 36.703 38.460 -0.072 0.000 1.982 1672 Y HN 0.865 nan 8.280 nan 0.000 0.272 1673 L N 2.935 123.901 121.223 -0.429 0.000 2.474 1673 L HA 0.172 4.512 4.340 0.000 0.000 0.259 1673 L C 1.711 178.370 176.870 -0.351 0.000 1.232 1673 L CA 0.076 54.472 54.840 -0.741 0.000 0.821 1673 L CB -0.044 41.807 42.059 -0.347 0.000 1.108 1673 L HN 0.622 nan 8.230 nan 0.000 0.495 1674 Y N 2.496 122.630 120.300 -0.276 0.000 1.997 1674 Y HA -0.331 4.219 4.550 0.000 0.000 0.265 1674 Y C -0.794 175.062 175.900 -0.073 0.000 1.193 1674 Y CA 3.030 61.067 58.100 -0.105 0.000 1.106 1674 Y CB -1.662 36.771 38.460 -0.045 0.000 0.940 1674 Y HN 0.699 nan 8.280 nan 0.000 0.494 1675 P HA -0.208 nan 4.420 nan 0.000 0.210 1675 P C 0.153 177.354 177.300 -0.166 0.000 1.151 1675 P CA 3.113 66.213 63.100 -0.000 0.000 0.949 1675 P CB -0.061 31.649 31.700 0.018 0.000 0.786 1676 D N -6.441 113.866 120.400 -0.155 0.000 4.172 1676 D HA -0.022 4.618 4.640 0.000 0.000 0.230 1676 D C -0.400 175.803 176.300 -0.161 0.000 0.582 1676 D CA -0.206 53.656 54.000 -0.230 0.000 0.695 1676 D CB -1.948 38.698 40.800 -0.256 0.000 1.689 1676 D HN 0.112 nan 8.370 nan 0.000 0.148 1677 I N 2.192 122.724 120.570 -0.063 0.000 2.494 1677 I HA 0.243 4.413 4.170 0.000 0.000 0.289 1677 I C -1.932 174.272 176.117 0.145 0.000 1.106 1677 I CA -1.629 59.671 61.300 -0.000 0.000 1.369 1677 I CB -0.009 37.956 38.000 -0.058 0.000 1.410 1677 I HN -0.135 nan 8.210 nan 0.000 0.523 1678 P HA -0.019 nan 4.420 nan 0.000 0.267 1678 P C -0.347 177.081 177.300 0.214 0.000 1.209 1678 P CA -0.433 62.877 63.100 0.350 0.000 0.763 1678 P CB 0.378 32.263 31.700 0.309 0.000 0.816 1679 K N 2.418 122.972 120.400 0.257 0.000 3.006 1679 K HA -0.104 4.216 4.320 0.000 0.000 0.243 1679 K C 0.697 177.453 176.600 0.260 0.000 0.945 1679 K CA 0.643 57.166 56.287 0.394 0.000 1.101 1679 K CB -0.464 32.212 32.500 0.293 0.000 1.096 1679 K HN 0.470 nan 8.250 nan 0.000 0.281 1680 E N 0.537 120.839 120.200 0.170 0.000 2.555 1680 E HA -0.033 4.317 4.350 0.000 0.000 0.209 1680 E C 0.432 177.073 176.600 0.068 0.000 0.847 1680 E CA 0.022 56.485 56.400 0.104 0.000 1.438 1680 E CB 0.465 30.209 29.700 0.073 0.000 1.420 1680 E HN 0.450 nan 8.360 nan 0.000 0.755 1681 E N 0.245 120.475 120.200 0.051 0.000 2.478 1681 E HA 0.175 4.525 4.350 0.000 0.000 0.194 1681 E C 0.853 177.455 176.600 0.004 0.000 1.045 1681 E CA 0.704 57.128 56.400 0.040 0.000 0.868 1681 E CB 0.842 30.567 29.700 0.042 0.000 0.885 1681 E HN 0.299 nan 8.360 nan 0.000 0.505 1682 A N -0.286 122.472 122.820 -0.103 0.000 2.106 1682 A HA 0.205 4.525 4.320 0.000 0.000 0.218 1682 A C 1.414 178.687 177.584 -0.519 0.000 1.718 1682 A CA -0.030 51.791 52.037 -0.360 0.000 0.768 1682 A CB -0.620 17.818 19.000 -0.936 0.000 1.321 1682 A HN 0.152 nan 8.150 nan 0.000 0.567 1683 F N 1.262 121.098 119.950 -0.190 0.000 2.259 1683 F HA 0.150 4.677 4.527 0.000 0.000 0.298 1683 F C 2.043 177.762 175.800 -0.135 0.000 1.088 1683 F CA 0.771 58.670 58.000 -0.169 0.000 1.358 1683 F CB -0.306 38.660 39.000 -0.057 0.000 1.040 1683 F HN 0.296 nan 8.300 nan 0.000 0.505 1684 G N 0.573 109.425 108.800 0.087 0.000 3.458 1684 G HA2 0.313 4.273 3.960 0.000 0.000 0.256 1684 G HA3 0.313 4.273 3.960 0.000 0.000 0.256 1684 G C 0.591 175.544 174.900 0.087 0.000 0.938 1684 G CA -0.134 45.015 45.100 0.081 0.000 1.890 1684 G HN 0.354 nan 8.290 nan 0.000 0.639 1685 K N -0.353 120.125 120.400 0.130 0.000 2.706 1685 K HA 0.054 4.374 4.320 0.000 0.000 0.179 1685 K C -0.331 176.559 176.600 0.482 0.000 1.768 1685 K CA -0.127 56.331 56.287 0.284 0.000 1.281 1685 K CB 0.580 33.306 32.500 0.377 0.000 1.819 1685 K HN 0.212 nan 8.250 nan 0.000 0.602 1686 Y N 1.250 121.618 120.300 0.114 0.000 2.897 1686 Y HA 0.356 4.906 4.550 0.000 0.000 0.372 1686 Y C 0.288 176.259 175.900 0.118 0.000 1.034 1686 Y CA -1.623 56.546 58.100 0.114 0.000 1.627 1686 Y CB -0.915 37.629 38.460 0.140 0.000 1.474 1686 Y HN -0.008 nan 8.280 nan 0.000 0.517 1687 C N -0.353 119.085 119.300 0.230 0.000 2.871 1687 C HA 0.775 5.235 4.460 0.000 0.000 0.351 1687 C C 0.667 175.724 174.990 0.110 0.000 1.338 1687 C CA -1.042 58.066 59.018 0.150 0.000 1.686 1687 C CB 1.833 29.640 27.740 0.111 0.000 2.135 1687 C HN 0.388 nan 8.230 nan 0.000 0.476 1688 R N 0.000 120.547 120.500 0.079 0.000 2.786 1688 R HA 0.000 4.340 4.340 0.000 0.000 0.208 1688 R CA 0.000 56.136 56.100 0.059 0.000 0.921 1688 R CB 0.000 30.331 30.300 0.051 0.000 0.687 1688 R HN 0.000 nan 8.270 nan 0.000 0.535