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 2hp2_1_A DATA FIRST_RESID 1007 DATA SEQUENCE FKTIKSDEIF AAAQKLMPGG VSSPVRAFKS VGGQPIVFDR VKDAYAWDVD DATA SEQUENCE GNRYIDYVGT WGPAICGHAH PEVIEALKVA MEKGTSFGAP CALENVLAEM DATA SEQUENCE VNDAVPSIEM VRFVNSGTEA CMAVLRIMRA YTGRDKIIKF EGCYHGHADM DATA SEQUENCE FLVKAGSGVA TLGLPSSPGV PKKTTANTLT TPYNDLEAVK ALFAENPGEI DATA SEQUENCE AGVILEPIVG NSGFIVPDAG FLEGLREITL EHDALLVFDE VMTGFRIAYG DATA SEQUENCE GVQEKFGVTP DLTTLGKIIG GGLPVGAYGG KREIMQLVAP AGPMYQAGTL DATA SEQUENCE SGNPLAMTAG IKTLELLRQP GTYEYLDQIT KRLSDGLLAI AQETGHAACG DATA SEQUENCE GQVSGMFGFF FTEGPVHNYE DAKKSDLQKF SRFHRGMLEQ GIYLAPSQFE DATA SEQUENCE AGFTSLAHTE EDIDATLAAA RTVMSAL 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 1007 F HA 0.000 nan 4.527 nan 0.000 0.279 1007 F C 0.000 175.806 175.800 0.010 0.000 0.967 1007 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 1007 F CB 0.000 38.993 39.000 -0.011 0.000 1.145 1008 K N 1.514 121.563 120.400 -0.585 0.000 2.435 1008 K HA 0.863 5.183 4.320 0.001 0.000 0.251 1008 K C -0.696 175.576 176.600 -0.546 0.000 0.954 1008 K CA -0.248 55.777 56.287 -0.437 0.000 0.820 1008 K CB 2.018 34.405 32.500 -0.188 0.000 1.292 1008 K HN 0.377 nan 8.250 nan 0.000 0.436 1009 T N -0.897 113.470 114.554 -0.313 0.000 3.516 1009 T HA 0.228 4.579 4.350 0.001 0.000 0.300 1009 T C 0.847 175.504 174.700 -0.071 0.000 0.995 1009 T CA -0.549 61.435 62.100 -0.193 0.000 0.982 1009 T CB -0.428 68.363 68.868 -0.128 0.000 1.199 1009 T HN 0.453 nan 8.240 nan 0.000 0.481 1010 I N 1.059 121.590 120.570 -0.066 0.000 2.118 1010 I HA -0.129 4.041 4.170 0.001 0.000 0.241 1010 I C 2.487 178.603 176.117 -0.002 0.000 1.070 1010 I CA 1.305 62.592 61.300 -0.022 0.000 1.327 1010 I CB -1.065 36.920 38.000 -0.025 0.000 1.034 1010 I HN 0.263 nan 8.210 nan 0.000 0.405 1011 K N 0.919 121.314 120.400 -0.008 0.000 2.147 1011 K HA -0.059 4.262 4.320 0.001 0.000 0.205 1011 K C 2.319 178.939 176.600 0.033 0.000 1.049 1011 K CA 1.107 57.400 56.287 0.011 0.000 0.936 1011 K CB -0.297 32.206 32.500 0.006 0.000 0.722 1011 K HN 0.291 nan 8.250 nan 0.000 0.446 1012 S N 1.304 117.023 115.700 0.032 0.000 2.387 1012 S HA -0.084 4.386 4.470 0.001 0.000 0.226 1012 S C 1.365 176.019 174.600 0.090 0.000 1.026 1012 S CA 0.935 59.168 58.200 0.054 0.000 0.972 1012 S CB -0.063 63.157 63.200 0.034 0.000 0.814 1012 S HN 0.297 nan 8.310 nan 0.000 0.477 1013 D N 1.474 121.920 120.400 0.078 0.000 2.097 1013 D HA -0.110 4.530 4.640 0.001 0.000 0.195 1013 D C 1.904 178.274 176.300 0.116 0.000 0.989 1013 D CA 1.037 55.107 54.000 0.117 0.000 0.827 1013 D CB -0.211 40.636 40.800 0.079 0.000 0.966 1013 D HN 0.523 nan 8.370 nan 0.000 0.456 1014 E N 0.697 120.940 120.200 0.072 0.000 2.023 1014 E HA -0.154 4.197 4.350 0.001 0.000 0.196 1014 E C 2.463 179.100 176.600 0.062 0.000 1.003 1014 E CA 0.678 57.109 56.400 0.052 0.000 0.809 1014 E CB -0.135 29.585 29.700 0.034 0.000 0.755 1014 E HN 0.276 nan 8.360 nan 0.000 0.449 1015 I N 0.457 121.075 120.570 0.080 0.000 2.163 1015 I HA -0.276 3.894 4.170 0.001 0.000 0.243 1015 I C 2.390 178.587 176.117 0.134 0.000 1.085 1015 I CA 1.035 62.389 61.300 0.090 0.000 1.347 1015 I CB -0.252 37.805 38.000 0.094 0.000 1.044 1015 I HN 0.091 nan 8.210 nan 0.000 0.408 1016 F N 1.798 121.749 119.950 0.001 0.000 2.186 1016 F HA -0.141 4.387 4.527 0.001 0.000 0.299 1016 F C 2.435 178.237 175.800 0.003 0.000 1.090 1016 F CA 1.030 59.029 58.000 -0.003 0.000 1.307 1016 F CB -0.494 38.497 39.000 -0.015 0.000 1.019 1016 F HN -0.003 nan 8.300 nan 0.000 0.489 1017 A N 0.246 123.032 122.820 -0.056 0.000 1.940 1017 A HA -0.063 4.257 4.320 0.001 0.000 0.219 1017 A C 2.419 179.909 177.584 -0.158 0.000 1.176 1017 A CA 1.819 53.766 52.037 -0.150 0.000 0.631 1017 A CB -1.453 17.527 19.000 -0.034 0.000 0.814 1017 A HN 0.456 nan 8.150 nan 0.000 0.446 1018 A N -0.458 122.311 122.820 -0.085 0.000 1.968 1018 A HA 0.308 4.629 4.320 0.001 0.000 0.217 1018 A C 2.417 179.951 177.584 -0.083 0.000 1.169 1018 A CA 1.587 53.587 52.037 -0.063 0.000 0.638 1018 A CB -0.789 18.200 19.000 -0.019 0.000 0.812 1018 A HN 0.990 nan 8.150 nan 0.000 0.446 1019 A N -0.495 122.265 122.820 -0.100 0.000 2.015 1019 A HA -0.163 4.157 4.320 0.001 0.000 0.219 1019 A C 1.996 179.488 177.584 -0.154 0.000 1.163 1019 A CA 1.422 53.410 52.037 -0.082 0.000 0.646 1019 A CB -0.489 18.517 19.000 0.009 0.000 0.806 1019 A HN 0.637 nan 8.150 nan 0.000 0.448 1020 Q N -0.424 119.196 119.800 -0.300 0.000 2.364 1020 Q HA -0.106 4.234 4.340 0.001 0.000 0.207 1020 Q C 1.408 177.322 176.000 -0.144 0.000 0.970 1020 Q CA 1.268 56.904 55.803 -0.278 0.000 0.888 1020 Q CB -0.073 28.430 28.738 -0.393 0.000 0.951 1020 Q HN 0.662 nan 8.270 nan 0.000 0.469 1021 K N -0.450 119.883 120.400 -0.112 0.000 2.352 1021 K HA 0.108 4.429 4.320 0.001 0.000 0.194 1021 K C 1.542 178.114 176.600 -0.046 0.000 1.038 1021 K CA 0.252 56.499 56.287 -0.068 0.000 1.023 1021 K CB 0.566 33.032 32.500 -0.057 0.000 0.840 1021 K HN 0.134 nan 8.250 nan 0.000 0.519 1022 L N -0.140 121.055 121.223 -0.046 0.000 2.388 1022 L HA 0.234 4.574 4.340 0.001 0.000 0.209 1022 L C 0.845 177.705 176.870 -0.017 0.000 1.061 1022 L CA 0.354 55.179 54.840 -0.025 0.000 0.834 1022 L CB 0.236 42.285 42.059 -0.016 0.000 1.029 1022 L HN 0.077 nan 8.230 nan 0.000 0.473 1023 M N -0.942 118.646 119.600 -0.021 0.000 2.619 1023 M HA 0.417 4.897 4.480 0.001 0.000 0.297 1023 M C -2.550 173.744 176.300 -0.011 0.000 1.229 1023 M CA -1.840 53.456 55.300 -0.007 0.000 0.860 1023 M CB 1.884 34.491 32.600 0.012 0.000 1.741 1023 M HN -0.382 nan 8.290 nan 0.000 0.462 1024 P HA 0.128 nan 4.420 nan 0.000 0.265 1024 P C 0.673 177.984 177.300 0.018 0.000 1.222 1024 P CA 0.978 64.078 63.100 0.000 0.000 0.767 1024 P CB 0.204 31.904 31.700 -0.000 0.000 0.801 1025 G N 3.581 112.387 108.800 0.010 0.000 2.184 1025 G HA2 -0.211 3.749 3.960 0.001 0.000 0.264 1025 G HA3 -0.211 3.749 3.960 0.001 0.000 0.264 1025 G C 0.863 175.800 174.900 0.062 0.000 0.975 1025 G CA 0.398 45.529 45.100 0.052 0.000 0.642 1025 G HN 0.992 nan 8.290 nan 0.000 0.536 1026 G N -2.139 106.656 108.800 -0.008 0.000 2.221 1026 G HA2 0.167 4.128 3.960 0.001 0.000 0.265 1026 G HA3 0.167 4.128 3.960 0.001 0.000 0.265 1026 G C 0.698 175.732 174.900 0.223 0.000 1.041 1026 G CA 1.464 46.555 45.100 -0.015 0.000 0.807 1026 G HN 2.404 nan 8.290 nan 0.000 0.502 1027 V N -5.091 114.924 119.914 0.168 0.000 3.188 1027 V HA 0.865 4.985 4.120 0.001 0.000 0.305 1027 V C 0.739 176.880 176.094 0.078 0.000 1.232 1027 V CA 0.161 62.553 62.300 0.154 0.000 1.043 1027 V CB 1.359 33.287 31.823 0.175 0.000 1.068 1027 V HN 0.225 nan 8.190 nan 0.000 0.439 1028 S N 0.431 116.165 115.700 0.056 0.000 2.524 1028 S HA 0.287 4.758 4.470 0.001 0.000 0.216 1028 S C 0.659 175.264 174.600 0.008 0.000 0.987 1028 S CA 0.916 59.133 58.200 0.029 0.000 0.909 1028 S CB 0.068 63.284 63.200 0.027 0.000 0.781 1028 S HN 0.990 nan 8.310 nan 0.000 0.521 1029 S N 0.073 115.778 115.700 0.009 0.000 2.572 1029 S HA 0.420 4.890 4.470 0.001 0.000 0.274 1029 S C -2.377 172.215 174.600 -0.013 0.000 1.150 1029 S CA -1.428 56.754 58.200 -0.030 0.000 0.944 1029 S CB 1.368 64.522 63.200 -0.077 0.000 1.071 1029 S HN -0.185 nan 8.310 nan 0.000 0.479 1030 P HA -0.198 nan 4.420 nan 0.000 0.218 1030 P C 1.573 178.888 177.300 0.026 0.000 1.165 1030 P CA 1.265 64.364 63.100 -0.002 0.000 0.922 1030 P CB 0.034 31.710 31.700 -0.039 0.000 0.794 1031 V N -0.032 119.865 119.914 -0.028 0.000 2.370 1031 V HA -0.335 3.786 4.120 0.001 0.000 0.252 1031 V C 2.252 178.461 176.094 0.191 0.000 1.068 1031 V CA 2.011 64.332 62.300 0.035 0.000 1.061 1031 V CB -0.821 30.952 31.823 -0.084 0.000 0.656 1031 V HN 0.095 nan 8.190 nan 0.000 0.455 1032 R N 0.090 120.697 120.500 0.179 0.000 2.249 1032 R HA -0.114 4.227 4.340 0.001 0.000 0.230 1032 R C 2.139 178.544 176.300 0.174 0.000 1.121 1032 R CA 1.216 57.458 56.100 0.236 0.000 0.997 1032 R CB -0.555 29.824 30.300 0.132 0.000 0.867 1032 R HN 0.615 nan 8.270 nan 0.000 0.465 1033 A N 0.244 123.170 122.820 0.177 0.000 2.167 1033 A HA -0.038 4.282 4.320 0.001 0.000 0.214 1033 A C 0.374 178.097 177.584 0.231 0.000 1.151 1033 A CA 0.253 52.379 52.037 0.148 0.000 0.735 1033 A CB -0.253 18.889 19.000 0.237 0.000 0.802 1033 A HN 0.379 nan 8.150 nan 0.000 0.467 1034 F N -1.675 118.268 119.950 -0.011 0.000 3.006 1034 F HA -0.272 4.255 4.527 0.001 0.000 0.289 1034 F C 1.418 177.227 175.800 0.016 0.000 0.772 1034 F CA 0.998 58.986 58.000 -0.021 0.000 1.162 1034 F CB -1.929 37.036 39.000 -0.057 0.000 1.382 1034 F HN 0.332 nan 8.300 nan 0.000 0.406 1035 K N -0.119 120.396 120.400 0.191 0.000 2.211 1035 K HA -0.134 4.187 4.320 0.001 0.000 0.204 1035 K C 1.834 178.495 176.600 0.102 0.000 1.047 1035 K CA 1.604 57.976 56.287 0.143 0.000 0.935 1035 K CB -0.239 32.336 32.500 0.126 0.000 0.728 1035 K HN 0.468 nan 8.250 nan 0.000 0.452 1036 S N -0.317 115.428 115.700 0.074 0.000 2.671 1036 S HA 0.069 4.539 4.470 0.001 0.000 0.220 1036 S C 0.872 175.504 174.600 0.053 0.000 0.951 1036 S CA -0.211 58.035 58.200 0.076 0.000 0.932 1036 S CB 0.458 63.714 63.200 0.093 0.000 0.777 1036 S HN -0.030 nan 8.310 nan 0.000 0.508 1037 V N 0.222 120.135 119.914 -0.002 0.000 3.172 1037 V HA 0.541 4.662 4.120 0.001 0.000 0.343 1037 V C 1.270 177.389 176.094 0.042 0.000 1.429 1037 V CA -0.062 62.203 62.300 -0.059 0.000 1.149 1037 V CB -0.195 31.369 31.823 -0.432 0.000 1.106 1037 V HN 0.607 nan 8.190 nan 0.000 0.526 1038 G N 0.024 108.879 108.800 0.093 0.000 2.157 1038 G HA2 0.128 4.089 3.960 0.001 0.000 0.239 1038 G HA3 0.128 4.089 3.960 0.001 0.000 0.239 1038 G C 0.866 175.863 174.900 0.162 0.000 0.982 1038 G CA 0.171 45.344 45.100 0.122 0.000 0.650 1038 G HN 1.897 nan 8.290 nan 0.000 0.527 1039 G N -1.010 107.910 108.800 0.200 0.000 2.796 1039 G HA2 0.286 4.247 3.960 0.001 0.000 0.226 1039 G HA3 0.286 4.247 3.960 0.001 0.000 0.226 1039 G C 0.032 175.072 174.900 0.234 0.000 1.381 1039 G CA 0.649 45.887 45.100 0.230 0.000 0.867 1039 G HN 1.797 nan 8.290 nan 0.000 0.552 1040 Q N -1.530 118.350 119.800 0.135 0.000 2.420 1040 Q HA -0.127 4.213 4.340 0.001 0.000 0.359 1040 Q C -1.737 174.126 176.000 -0.228 0.000 1.403 1040 Q CA 1.566 57.373 55.803 0.005 0.000 0.982 1040 Q CB -1.359 27.453 28.738 0.123 0.000 1.137 1040 Q HN 0.844 nan 8.270 nan 0.000 0.317 1041 P HA 0.370 nan 4.420 nan 0.000 0.276 1041 P C 0.261 177.103 177.300 -0.764 0.000 1.252 1041 P CA -0.514 61.621 63.100 -1.608 0.000 0.802 1041 P CB 0.691 31.488 31.700 -1.506 0.000 1.035 1042 I N -1.464 118.794 120.570 -0.521 0.000 2.377 1042 I HA 0.437 4.607 4.170 0.001 0.000 0.293 1042 I C -0.400 175.760 176.117 0.071 0.000 0.987 1042 I CA -1.274 59.995 61.300 -0.052 0.000 1.185 1042 I CB 1.631 39.744 38.000 0.188 0.000 1.341 1042 I HN -0.083 nan 8.210 nan 0.000 0.455 1043 V N 6.797 126.771 119.914 0.100 0.000 2.488 1043 V HA 0.294 4.415 4.120 0.001 0.000 0.277 1043 V C 0.162 176.457 176.094 0.335 0.000 1.046 1043 V CA 0.049 62.446 62.300 0.161 0.000 0.986 1043 V CB 0.425 32.311 31.823 0.105 0.000 0.989 1043 V HN 0.568 nan 8.190 nan 0.000 0.475 1044 F N 2.415 122.343 119.950 -0.038 0.000 2.380 1044 F HA 0.297 4.825 4.527 0.001 0.000 0.321 1044 F C 1.116 176.924 175.800 0.013 0.000 1.103 1044 F CA -0.275 57.710 58.000 -0.024 0.000 1.067 1044 F CB 1.645 40.598 39.000 -0.079 0.000 1.265 1044 F HN 0.585 nan 8.300 nan 0.000 0.517 1045 D N -0.672 119.843 120.400 0.192 0.000 2.434 1045 D HA 0.131 4.771 4.640 0.001 0.000 0.288 1045 D C -0.410 175.946 176.300 0.093 0.000 1.083 1045 D CA 0.105 54.172 54.000 0.113 0.000 0.903 1045 D CB 0.673 41.514 40.800 0.069 0.000 1.476 1045 D HN 0.550 nan 8.370 nan 0.000 0.502 1046 R N -0.620 119.954 120.500 0.124 0.000 2.712 1046 R HA 0.601 4.942 4.340 0.001 0.000 0.272 1046 R C -1.768 174.665 176.300 0.221 0.000 1.032 1046 R CA -1.009 55.156 56.100 0.107 0.000 0.874 1046 R CB 1.385 31.679 30.300 -0.010 0.000 1.256 1046 R HN -0.063 nan 8.270 nan 0.000 0.468 1047 V N -1.384 118.634 119.914 0.173 0.000 2.888 1047 V HA 0.840 4.960 4.120 0.001 0.000 0.309 1047 V C -1.209 175.064 176.094 0.298 0.000 1.114 1047 V CA -0.839 61.578 62.300 0.196 0.000 0.940 1047 V CB 1.922 33.529 31.823 -0.359 0.000 1.021 1047 V HN 0.921 nan 8.190 nan 0.000 0.426 1048 K N 2.721 123.431 120.400 0.516 0.000 2.535 1048 K HA 0.577 4.897 4.320 0.001 0.000 0.251 1048 K C -0.075 176.712 176.600 0.311 0.000 0.942 1048 K CA 0.193 56.728 56.287 0.413 0.000 0.798 1048 K CB 1.676 34.443 32.500 0.444 0.000 1.267 1048 K HN 0.976 nan 8.250 nan 0.000 0.434 1049 D N 1.766 122.261 120.400 0.158 0.000 3.899 1049 D HA -0.325 4.316 4.640 0.001 0.000 0.146 1049 D C 0.357 176.528 176.300 -0.215 0.000 0.820 1049 D CA 2.317 56.296 54.000 -0.036 0.000 1.056 1049 D CB -1.094 39.663 40.800 -0.073 0.000 0.474 1049 D HN 0.589 nan 8.370 nan 0.000 0.457 1050 A N 0.206 122.657 122.820 -0.615 0.000 2.379 1050 A HA 0.350 4.671 4.320 0.001 0.000 0.236 1050 A C -0.056 176.994 177.584 -0.889 0.000 1.272 1050 A CA 0.074 51.544 52.037 -0.945 0.000 0.886 1050 A CB -0.128 17.922 19.000 -1.584 0.000 0.962 1050 A HN 0.362 nan 8.150 nan 0.000 0.504 1051 Y N -1.531 118.658 120.300 -0.185 0.000 2.587 1051 Y HA 0.700 5.250 4.550 0.001 0.000 0.337 1051 Y C 0.398 176.124 175.900 -0.289 0.000 1.065 1051 Y CA -0.861 57.022 58.100 -0.362 0.000 1.126 1051 Y CB 1.668 39.699 38.460 -0.716 0.000 1.279 1051 Y HN 0.113 nan 8.280 nan 0.000 0.489 1052 A N 1.009 123.631 122.820 -0.330 0.000 2.475 1052 A HA 0.709 5.030 4.320 0.001 0.000 0.301 1052 A C -2.020 175.300 177.584 -0.440 0.000 1.059 1052 A CA -0.639 51.204 52.037 -0.323 0.000 0.710 1052 A CB 1.364 20.040 19.000 -0.540 0.000 1.288 1052 A HN 0.742 nan 8.150 nan 0.000 0.408 1053 W N 1.497 122.638 121.300 -0.265 0.000 2.683 1053 W HA 0.278 4.939 4.660 0.001 0.000 0.329 1053 W C -0.918 175.482 176.519 -0.199 0.000 1.037 1053 W CA -0.561 56.685 57.345 -0.165 0.000 1.232 1053 W CB 1.933 31.331 29.460 -0.105 0.000 1.390 1053 W HN 0.776 nan 8.180 nan 0.000 0.465 1054 D N 0.577 121.049 120.400 0.120 0.000 2.349 1054 D HA 0.013 4.653 4.640 0.001 0.000 0.239 1054 D C 1.237 177.589 176.300 0.088 0.000 1.315 1054 D CA 0.400 54.458 54.000 0.096 0.000 0.937 1054 D CB 1.100 41.972 40.800 0.120 0.000 1.133 1054 D HN 0.163 nan 8.370 nan 0.000 0.489 1055 V N -2.332 117.625 119.914 0.072 0.000 3.621 1055 V HA 0.209 4.330 4.120 0.001 0.000 0.285 1055 V C 0.649 176.759 176.094 0.027 0.000 1.346 1055 V CA 0.376 62.707 62.300 0.053 0.000 1.104 1055 V CB 0.156 32.014 31.823 0.059 0.000 0.913 1055 V HN 0.285 nan 8.190 nan 0.000 0.432 1056 D N 0.892 121.303 120.400 0.020 0.000 2.441 1056 D HA 0.290 4.931 4.640 0.001 0.000 0.210 1056 D C 1.765 178.058 176.300 -0.013 0.000 1.102 1056 D CA 1.058 55.047 54.000 -0.018 0.000 0.840 1056 D CB 1.387 42.148 40.800 -0.066 0.000 0.990 1056 D HN 0.647 nan 8.370 nan 0.000 0.505 1057 G N 1.757 110.574 108.800 0.029 0.000 2.176 1057 G HA2 -0.245 3.715 3.960 0.001 0.000 0.232 1057 G HA3 -0.245 3.715 3.960 0.001 0.000 0.232 1057 G C 0.110 175.045 174.900 0.060 0.000 0.986 1057 G CA -0.405 44.731 45.100 0.059 0.000 0.643 1057 G HN 0.290 nan 8.290 nan 0.000 0.522 1058 N N 0.771 119.459 118.700 -0.020 0.000 2.492 1058 N HA 0.410 5.151 4.740 0.001 0.000 0.262 1058 N C 0.367 175.663 175.510 -0.357 0.000 1.202 1058 N CA -0.131 52.804 53.050 -0.191 0.000 0.926 1058 N CB 0.453 38.805 38.487 -0.224 0.000 1.078 1058 N HN 0.098 nan 8.380 nan 0.000 0.454 1059 R N 2.312 122.485 120.500 -0.545 0.000 2.474 1059 R HA 0.388 4.729 4.340 0.001 0.000 0.295 1059 R C -1.510 174.333 176.300 -0.762 0.000 0.980 1059 R CA -0.366 55.290 56.100 -0.740 0.000 0.934 1059 R CB 0.598 30.532 30.300 -0.610 0.000 1.101 1059 R HN 0.564 nan 8.270 nan 0.000 0.469 1060 Y N 2.140 122.176 120.300 -0.440 0.000 2.553 1060 Y HA 0.462 5.012 4.550 0.001 0.000 0.347 1060 Y C 0.294 176.133 175.900 -0.102 0.000 1.019 1060 Y CA -0.834 57.148 58.100 -0.196 0.000 1.032 1060 Y CB 1.813 40.215 38.460 -0.098 0.000 1.284 1060 Y HN 0.337 nan 8.280 nan 0.000 0.466 1061 I N 2.684 123.356 120.570 0.171 0.000 2.281 1061 I HA 0.109 4.279 4.170 0.001 0.000 0.293 1061 I C -0.397 175.729 176.117 0.016 0.000 1.085 1061 I CA -0.265 61.072 61.300 0.062 0.000 1.257 1061 I CB 0.303 38.367 38.000 0.107 0.000 1.430 1061 I HN 0.548 nan 8.210 nan 0.000 0.489 1062 D N 5.601 125.952 120.400 -0.081 0.000 2.351 1062 D HA 0.034 4.675 4.640 0.001 0.000 0.251 1062 D C -0.299 175.925 176.300 -0.126 0.000 1.137 1062 D CA 0.419 54.457 54.000 0.063 0.000 0.879 1062 D CB 0.714 41.604 40.800 0.150 0.000 1.181 1062 D HN 0.332 nan 8.370 nan 0.000 0.448 1063 Y N 2.042 122.499 120.300 0.263 0.000 2.641 1063 Y HA 0.157 4.707 4.550 0.001 0.000 0.248 1063 Y C 1.474 177.444 175.900 0.117 0.000 1.170 1063 Y CA -0.218 58.001 58.100 0.197 0.000 1.201 1063 Y CB 0.831 39.400 38.460 0.182 0.000 1.232 1063 Y HN 0.277 nan 8.280 nan 0.000 0.537 1064 V N -1.320 118.714 119.914 0.200 0.000 2.949 1064 V HA 0.177 4.297 4.120 0.001 0.000 0.245 1064 V C 1.631 177.772 176.094 0.078 0.000 1.086 1064 V CA 0.883 63.188 62.300 0.007 0.000 1.097 1064 V CB -0.424 31.280 31.823 -0.198 0.000 0.762 1064 V HN 0.470 nan 8.190 nan 0.000 0.470 1065 G N 1.400 110.265 108.800 0.108 0.000 2.393 1065 G HA2 -0.370 3.590 3.960 0.001 0.000 0.299 1065 G HA3 -0.370 3.590 3.960 0.001 0.000 0.299 1065 G C 0.619 175.576 174.900 0.094 0.000 0.990 1065 G CA 1.322 46.443 45.100 0.035 0.000 1.118 1065 G HN 0.810 nan 8.290 nan 0.000 0.513 1066 T N -1.841 112.812 114.554 0.166 0.000 3.978 1066 T HA -0.331 4.020 4.350 0.001 0.000 0.339 1066 T C 1.179 176.034 174.700 0.260 0.000 0.764 1066 T CA 2.395 64.597 62.100 0.169 0.000 1.874 1066 T CB -1.654 67.359 68.868 0.242 0.000 1.901 1066 T HN 2.111 nan 8.240 nan 0.000 0.814 1067 W N -3.015 118.367 121.300 0.136 0.000 3.038 1067 W HA -0.129 4.532 4.660 0.002 0.000 0.317 1067 W C 1.274 177.625 176.519 -0.279 0.000 1.226 1067 W CA 0.663 58.063 57.345 0.093 0.000 0.612 1067 W CB -1.943 27.588 29.460 0.119 0.000 2.296 1067 W HN 1.219 nan 8.180 nan 0.000 1.251 1068 G N -4.095 104.478 108.800 -0.377 0.000 2.699 1068 G HA2 -0.217 3.744 3.960 0.001 0.000 0.198 1068 G HA3 -0.217 3.744 3.960 0.001 0.000 0.198 1068 G C -0.664 174.090 174.900 -0.243 0.000 1.033 1068 G CA 0.018 44.752 45.100 -0.610 0.000 0.728 1068 G HN 0.158 nan 8.290 nan 0.000 0.484 1069 P HA 0.156 nan 4.420 nan 0.000 0.216 1069 P C 1.469 178.754 177.300 -0.026 0.000 1.150 1069 P CA 2.047 65.132 63.100 -0.025 0.000 0.837 1069 P CB -0.025 31.695 31.700 0.034 0.000 0.786 1070 A N -0.801 121.999 122.820 -0.033 0.000 2.728 1070 A HA 0.091 4.411 4.320 0.001 0.000 0.258 1070 A C 1.505 179.043 177.584 -0.076 0.000 1.454 1070 A CA -0.126 51.877 52.037 -0.058 0.000 1.146 1070 A CB -1.896 16.992 19.000 -0.186 0.000 0.985 1070 A HN 0.180 nan 8.150 nan 0.000 0.603 1071 I N -1.516 119.025 120.570 -0.049 0.000 2.756 1071 I HA -0.196 3.974 4.170 0.001 0.000 0.262 1071 I C 1.200 177.310 176.117 -0.011 0.000 1.225 1071 I CA 1.170 62.453 61.300 -0.027 0.000 1.472 1071 I CB 0.149 38.144 38.000 -0.008 0.000 1.094 1071 I HN 0.481 nan 8.210 nan 0.000 0.454 1072 C N 1.544 120.845 119.300 0.002 0.000 2.906 1072 C HA 0.516 4.977 4.460 0.001 0.000 0.274 1072 C C 0.956 176.017 174.990 0.119 0.000 1.257 1072 C CA 0.307 59.361 59.018 0.060 0.000 1.695 1072 C CB -1.511 26.241 27.740 0.020 0.000 1.958 1072 C HN 0.744 nan 8.230 nan 0.000 0.619 1073 G N -0.041 108.774 108.800 0.025 0.000 2.629 1073 G HA2 -0.079 3.881 3.960 0.001 0.000 0.686 1073 G HA3 -0.079 3.881 3.960 0.001 0.000 0.686 1073 G C -0.906 174.005 174.900 0.019 0.000 1.232 1073 G CA -0.889 44.195 45.100 -0.027 0.000 0.803 1073 G HN 0.577 nan 8.290 nan 0.000 0.638 1074 H N 0.293 119.392 119.070 0.049 0.000 2.732 1074 H HA 0.439 4.995 4.556 0.001 0.000 0.351 1074 H C 1.327 176.704 175.328 0.080 0.000 1.090 1074 H CA 0.779 56.869 56.048 0.071 0.000 1.431 1074 H CB 1.054 30.866 29.762 0.083 0.000 1.447 1074 H HN 2.076 nan 8.280 nan 0.000 0.582 1075 A N 2.469 125.427 122.820 0.231 0.000 2.415 1075 A HA -0.251 4.070 4.320 0.001 0.000 0.292 1075 A C 0.216 177.883 177.584 0.137 0.000 1.452 1075 A CA 0.599 52.725 52.037 0.149 0.000 0.750 1075 A CB -1.991 17.077 19.000 0.114 0.000 1.099 1075 A HN 0.797 nan 8.150 nan 0.000 0.391 1076 H N 0.947 120.048 119.070 0.052 0.000 2.975 1076 H HA 0.180 4.737 4.556 0.001 0.000 0.303 1076 H C -1.126 174.212 175.328 0.017 0.000 1.023 1076 H CA -0.870 55.193 56.048 0.026 0.000 1.473 1076 H CB 0.675 30.442 29.762 0.009 0.000 1.498 1076 H HN 0.219 nan 8.280 nan 0.000 0.549 1077 P HA -0.222 nan 4.420 nan 0.000 0.219 1077 P C 0.987 178.397 177.300 0.183 0.000 1.161 1077 P CA 1.971 65.117 63.100 0.077 0.000 0.909 1077 P CB 0.287 31.959 31.700 -0.046 0.000 0.793 1078 E N -1.136 119.283 120.200 0.366 0.000 2.208 1078 E HA -0.074 4.277 4.350 0.001 0.000 0.193 1078 E C 1.887 178.532 176.600 0.075 0.000 0.988 1078 E CA 0.640 57.145 56.400 0.174 0.000 0.828 1078 E CB -0.342 29.441 29.700 0.139 0.000 0.763 1078 E HN 0.093 nan 8.360 nan 0.000 0.478 1079 V N 1.157 121.122 119.914 0.084 0.000 2.407 1079 V HA -0.194 3.927 4.120 0.001 0.000 0.245 1079 V C 2.123 178.234 176.094 0.029 0.000 1.041 1079 V CA 1.242 63.544 62.300 0.004 0.000 1.040 1079 V CB -0.220 31.596 31.823 -0.012 0.000 0.671 1079 V HN 0.247 nan 8.190 nan 0.000 0.455 1080 I N -0.082 120.526 120.570 0.063 0.000 2.252 1080 I HA -0.184 3.986 4.170 0.001 0.000 0.245 1080 I C 2.598 178.732 176.117 0.028 0.000 1.102 1080 I CA 1.351 62.676 61.300 0.042 0.000 1.385 1080 I CB -0.261 37.768 38.000 0.048 0.000 1.064 1080 I HN 0.301 nan 8.210 nan 0.000 0.414 1081 E N 1.414 121.635 120.200 0.035 0.000 2.077 1081 E HA -0.197 4.154 4.350 0.001 0.000 0.193 1081 E C 2.147 178.755 176.600 0.013 0.000 0.989 1081 E CA 1.662 58.076 56.400 0.024 0.000 0.800 1081 E CB -0.217 29.500 29.700 0.029 0.000 0.746 1081 E HN 0.418 nan 8.360 nan 0.000 0.452 1082 A N -0.009 122.817 122.820 0.009 0.000 2.019 1082 A HA -0.109 4.212 4.320 0.001 0.000 0.219 1082 A C 2.223 179.802 177.584 -0.009 0.000 1.164 1082 A CA 1.130 53.165 52.037 -0.004 0.000 0.644 1082 A CB -0.501 18.489 19.000 -0.017 0.000 0.805 1082 A HN 0.315 nan 8.150 nan 0.000 0.449 1083 L N -0.954 120.265 121.223 -0.007 0.000 2.068 1083 L HA -0.130 4.210 4.340 0.001 0.000 0.204 1083 L C 2.538 179.404 176.870 -0.005 0.000 1.076 1083 L CA 1.356 56.188 54.840 -0.012 0.000 0.753 1083 L CB -0.403 41.650 42.059 -0.010 0.000 0.910 1083 L HN 0.328 nan 8.230 nan 0.000 0.439 1084 K N -0.109 120.292 120.400 0.002 0.000 1.978 1084 K HA -0.175 4.146 4.320 0.001 0.000 0.214 1084 K C 1.988 178.593 176.600 0.007 0.000 1.049 1084 K CA 1.553 57.842 56.287 0.004 0.000 0.939 1084 K CB -0.652 31.852 32.500 0.006 0.000 0.721 1084 K HN 0.020 nan 8.250 nan 0.000 0.441 1085 V N 1.702 121.621 119.914 0.008 0.000 2.317 1085 V HA -0.344 3.777 4.120 0.001 0.000 0.251 1085 V C 2.440 178.543 176.094 0.016 0.000 1.065 1085 V CA 2.228 64.534 62.300 0.012 0.000 1.049 1085 V CB -0.868 30.962 31.823 0.010 0.000 0.651 1085 V HN 0.468 nan 8.190 nan 0.000 0.450 1086 A N 0.674 123.500 122.820 0.009 0.000 1.873 1086 A HA -0.212 4.109 4.320 0.001 0.000 0.215 1086 A C 2.204 179.799 177.584 0.018 0.000 1.186 1086 A CA 2.068 54.112 52.037 0.011 0.000 0.616 1086 A CB -0.511 18.481 19.000 -0.014 0.000 0.823 1086 A HN 0.690 nan 8.150 nan 0.000 0.442 1087 M N -1.491 118.113 119.600 0.006 0.000 2.632 1087 M HA 0.009 4.490 4.480 0.001 0.000 0.256 1087 M C 0.957 177.275 176.300 0.031 0.000 1.080 1087 M CA 1.364 56.670 55.300 0.010 0.000 1.084 1087 M CB -0.400 32.200 32.600 -0.001 0.000 1.439 1087 M HN 0.143 nan 8.290 nan 0.000 0.509 1088 E N 2.405 122.625 120.200 0.034 0.000 2.208 1088 E HA -0.048 4.302 4.350 0.001 0.000 0.193 1088 E C 1.145 177.779 176.600 0.056 0.000 0.988 1088 E CA 1.049 57.471 56.400 0.036 0.000 0.828 1088 E CB -0.099 29.617 29.700 0.028 0.000 0.763 1088 E HN 0.697 nan 8.360 nan 0.000 0.478 1089 K N 0.168 120.619 120.400 0.085 0.000 2.437 1089 K HA 0.271 4.591 4.320 0.001 0.000 0.198 1089 K C 0.311 177.060 176.600 0.249 0.000 1.024 1089 K CA 0.327 56.694 56.287 0.133 0.000 1.148 1089 K CB 0.823 33.413 32.500 0.150 0.000 0.860 1089 K HN 0.087 nan 8.250 nan 0.000 0.515 1090 G N 0.906 109.815 108.800 0.181 0.000 2.674 1090 G HA2 -0.201 3.759 3.960 0.001 0.000 0.686 1090 G HA3 -0.201 3.759 3.960 0.001 0.000 0.686 1090 G C 0.291 175.229 174.900 0.064 0.000 1.195 1090 G CA -0.344 44.878 45.100 0.203 0.000 0.776 1090 G HN 0.090 nan 8.290 nan 0.000 0.654 1091 T N -2.460 112.095 114.554 0.001 0.000 3.107 1091 T HA 0.620 4.971 4.350 0.001 0.000 0.249 1091 T C 0.869 175.466 174.700 -0.172 0.000 1.096 1091 T CA 1.056 63.106 62.100 -0.084 0.000 1.012 1091 T CB 0.355 69.198 68.868 -0.043 0.000 0.977 1091 T HN 2.106 nan 8.240 nan 0.000 0.527 1092 S N -0.753 114.834 115.700 -0.187 0.000 2.602 1092 S HA 0.485 4.955 4.470 0.001 0.000 0.301 1092 S C -1.042 173.542 174.600 -0.027 0.000 1.091 1092 S CA -0.755 57.305 58.200 -0.233 0.000 0.895 1092 S CB 0.101 63.245 63.200 -0.094 0.000 1.090 1092 S HN 0.034 nan 8.310 nan 0.000 0.449 1093 F N 2.457 122.406 119.950 -0.001 0.000 2.500 1093 F HA 0.450 4.977 4.527 0.001 0.000 0.285 1093 F C 2.215 178.020 175.800 0.008 0.000 1.088 1093 F CA 0.526 58.528 58.000 0.003 0.000 1.432 1093 F CB -0.624 38.377 39.000 0.002 0.000 1.131 1093 F HN 1.062 nan 8.300 nan 0.000 0.582 1094 G N 0.566 109.464 108.800 0.164 0.000 2.137 1094 G HA2 0.118 4.078 3.960 0.001 0.000 0.237 1094 G HA3 0.118 4.078 3.960 0.001 0.000 0.237 1094 G C 0.090 175.061 174.900 0.118 0.000 1.002 1094 G CA 0.216 45.379 45.100 0.105 0.000 0.702 1094 G HN 0.830 nan 8.290 nan 0.000 0.515 1095 A N -1.243 121.674 122.820 0.163 0.000 2.568 1095 A HA 0.932 5.253 4.320 0.001 0.000 0.291 1095 A C -2.868 174.814 177.584 0.163 0.000 1.159 1095 A CA -0.823 51.297 52.037 0.138 0.000 0.679 1095 A CB 0.545 19.615 19.000 0.117 0.000 1.285 1095 A HN 0.185 nan 8.150 nan 0.000 0.428 1096 P HA 0.481 nan 4.420 nan 0.000 0.272 1096 P C -0.588 176.811 177.300 0.166 0.000 1.223 1096 P CA -0.028 63.143 63.100 0.119 0.000 0.784 1096 P CB 0.344 32.092 31.700 0.080 0.000 0.923 1097 C N -0.442 118.954 119.300 0.159 0.000 3.170 1097 C HA 0.776 5.237 4.460 0.001 0.000 0.319 1097 C C 1.556 176.614 174.990 0.113 0.000 1.260 1097 C CA -0.127 59.006 59.018 0.191 0.000 1.374 1097 C CB 0.940 28.896 27.740 0.361 0.000 1.739 1097 C HN 0.658 nan 8.230 nan 0.000 0.479 1098 A N 1.329 124.207 122.820 0.096 0.000 1.948 1098 A HA -0.093 4.228 4.320 0.001 0.000 0.220 1098 A C 1.924 179.538 177.584 0.051 0.000 1.177 1098 A CA 2.186 54.262 52.037 0.064 0.000 0.636 1098 A CB -0.744 18.288 19.000 0.053 0.000 0.815 1098 A HN 0.998 nan 8.150 nan 0.000 0.449 1099 L N -0.924 120.325 121.223 0.044 0.000 2.079 1099 L HA -0.245 4.095 4.340 0.001 0.000 0.210 1099 L C 2.589 179.447 176.870 -0.020 0.000 1.081 1099 L CA 1.739 56.578 54.840 -0.002 0.000 0.752 1099 L CB -0.582 41.454 42.059 -0.037 0.000 0.896 1099 L HN 0.503 nan 8.230 nan 0.000 0.433 1100 E N -0.054 120.145 120.200 -0.000 0.000 2.077 1100 E HA -0.220 4.130 4.350 0.001 0.000 0.193 1100 E C 1.909 178.591 176.600 0.138 0.000 0.989 1100 E CA 1.426 57.849 56.400 0.039 0.000 0.800 1100 E CB -0.095 29.659 29.700 0.089 0.000 0.746 1100 E HN 0.467 nan 8.360 nan 0.000 0.452 1101 N N 0.199 118.958 118.700 0.098 0.000 2.069 1101 N HA -0.151 4.590 4.740 0.001 0.000 0.191 1101 N C 1.836 177.399 175.510 0.088 0.000 1.031 1101 N CA 1.030 54.135 53.050 0.091 0.000 0.852 1101 N CB -0.467 38.058 38.487 0.063 0.000 1.018 1101 N HN -0.041 nan 8.380 nan 0.000 0.423 1102 V N 1.314 121.267 119.914 0.064 0.000 2.231 1102 V HA -0.234 3.886 4.120 0.001 0.000 0.248 1102 V C 2.357 178.499 176.094 0.080 0.000 1.054 1102 V CA 1.490 63.824 62.300 0.057 0.000 1.015 1102 V CB -0.694 31.147 31.823 0.030 0.000 0.638 1102 V HN 0.351 nan 8.190 nan 0.000 0.444 1103 L N -0.379 120.890 121.223 0.077 0.000 2.042 1103 L HA -0.216 4.125 4.340 0.001 0.000 0.210 1103 L C 2.660 179.708 176.870 0.297 0.000 1.076 1103 L CA 1.984 56.898 54.840 0.123 0.000 0.749 1103 L CB -0.705 41.334 42.059 -0.034 0.000 0.893 1103 L HN 0.433 nan 8.230 nan 0.000 0.432 1104 A N -0.605 122.434 122.820 0.365 0.000 1.883 1104 A HA -0.276 4.044 4.320 0.001 0.000 0.217 1104 A C 2.116 179.770 177.584 0.116 0.000 1.186 1104 A CA 1.886 54.062 52.037 0.230 0.000 0.624 1104 A CB -0.577 18.509 19.000 0.144 0.000 0.822 1104 A HN 0.497 nan 8.150 nan 0.000 0.444 1105 E N -0.828 119.437 120.200 0.109 0.000 2.058 1105 E HA -0.207 4.143 4.350 0.001 0.000 0.194 1105 E C 2.164 178.826 176.600 0.103 0.000 0.997 1105 E CA 1.584 58.034 56.400 0.082 0.000 0.801 1105 E CB -0.238 29.506 29.700 0.073 0.000 0.746 1105 E HN 0.687 nan 8.360 nan 0.000 0.450 1106 M N 0.097 119.774 119.600 0.128 0.000 2.108 1106 M HA -0.177 4.303 4.480 0.001 0.000 0.261 1106 M C 2.410 178.825 176.300 0.191 0.000 1.066 1106 M CA 1.126 56.525 55.300 0.165 0.000 1.107 1106 M CB -0.196 32.494 32.600 0.149 0.000 1.356 1106 M HN 0.026 nan 8.290 nan 0.000 0.406 1107 V N 0.862 120.886 119.914 0.184 0.000 2.407 1107 V HA -0.253 3.868 4.120 0.001 0.000 0.248 1107 V C 2.015 178.166 176.094 0.095 0.000 1.055 1107 V CA 1.628 64.048 62.300 0.200 0.000 1.049 1107 V CB -0.895 31.035 31.823 0.178 0.000 0.662 1107 V HN 0.471 nan 8.190 nan 0.000 0.455 1108 N N 0.374 119.110 118.700 0.059 0.000 2.084 1108 N HA -0.151 4.589 4.740 0.001 0.000 0.190 1108 N C 1.576 177.110 175.510 0.041 0.000 1.030 1108 N CA 1.642 54.705 53.050 0.021 0.000 0.849 1108 N CB -0.441 38.051 38.487 0.008 0.000 1.012 1108 N HN 0.462 nan 8.380 nan 0.000 0.423 1109 D N 0.904 121.354 120.400 0.083 0.000 2.144 1109 D HA -0.050 4.590 4.640 0.001 0.000 0.199 1109 D C 1.811 178.192 176.300 0.135 0.000 0.984 1109 D CA 0.942 55.005 54.000 0.105 0.000 0.834 1109 D CB -0.215 40.669 40.800 0.139 0.000 0.955 1109 D HN 0.220 nan 8.370 nan 0.000 0.465 1110 A N 0.737 123.649 122.820 0.153 0.000 1.832 1110 A HA -0.051 4.270 4.320 0.001 0.000 0.214 1110 A C 1.276 178.810 177.584 -0.082 0.000 1.200 1110 A CA 0.694 52.776 52.037 0.074 0.000 0.610 1110 A CB -0.460 18.453 19.000 -0.144 0.000 0.842 1110 A HN 0.101 nan 8.150 nan 0.000 0.444 1111 V N 2.202 122.040 119.914 -0.128 0.000 2.432 1111 V HA 0.134 4.255 4.120 0.001 0.000 0.271 1111 V C -1.186 174.862 176.094 -0.076 0.000 1.046 1111 V CA -1.053 61.160 62.300 -0.145 0.000 0.945 1111 V CB 1.000 32.728 31.823 -0.159 0.000 0.992 1111 V HN 0.376 nan 8.190 nan 0.000 0.471 1112 P HA -0.202 nan 4.420 nan 0.000 0.210 1112 P C 1.824 179.084 177.300 -0.067 0.000 1.185 1112 P CA 2.205 65.275 63.100 -0.051 0.000 0.924 1112 P CB -0.034 31.639 31.700 -0.044 0.000 0.786 1113 S N -0.176 115.469 115.700 -0.091 0.000 2.440 1113 S HA -0.135 4.335 4.470 0.001 0.000 0.240 1113 S C 1.248 175.787 174.600 -0.101 0.000 1.014 1113 S CA 0.750 58.882 58.200 -0.113 0.000 0.980 1113 S CB -1.503 61.601 63.200 -0.160 0.000 0.775 1113 S HN 0.125 nan 8.310 nan 0.000 0.499 1114 I N 2.937 123.454 120.570 -0.088 0.000 2.322 1114 I HA 0.146 4.316 4.170 0.001 0.000 0.292 1114 I C 1.237 177.311 176.117 -0.072 0.000 1.060 1114 I CA -0.113 61.135 61.300 -0.087 0.000 1.309 1114 I CB 0.729 38.679 38.000 -0.083 0.000 1.415 1114 I HN 0.467 nan 8.210 nan 0.000 0.492 1115 E N 6.393 126.547 120.200 -0.077 0.000 2.601 1115 E HA 0.238 4.589 4.350 0.001 0.000 0.219 1115 E C 0.136 176.694 176.600 -0.071 0.000 0.964 1115 E CA -0.195 56.169 56.400 -0.061 0.000 1.050 1115 E CB 1.232 30.901 29.700 -0.053 0.000 1.068 1115 E HN 0.584 nan 8.360 nan 0.000 0.496 1116 M N 1.642 121.182 119.600 -0.101 0.000 2.294 1116 M HA 0.335 4.816 4.480 0.001 0.000 0.280 1116 M C -2.358 173.824 176.300 -0.196 0.000 1.085 1116 M CA -0.721 54.502 55.300 -0.128 0.000 0.969 1116 M CB 2.691 35.224 32.600 -0.110 0.000 1.770 1116 M HN -0.021 nan 8.290 nan 0.000 0.485 1117 V N 3.524 123.278 119.914 -0.268 0.000 3.074 1117 V HA 0.920 5.041 4.120 0.001 0.000 0.314 1117 V C -1.742 174.018 176.094 -0.556 0.000 1.117 1117 V CA -0.502 61.548 62.300 -0.416 0.000 1.014 1117 V CB 2.453 34.002 31.823 -0.457 0.000 1.057 1117 V HN 0.978 nan 8.190 nan 0.000 0.438 1118 R N 3.171 123.241 120.500 -0.717 0.000 2.538 1118 R HA 0.541 4.881 4.340 0.001 0.000 0.292 1118 R C -1.897 174.060 176.300 -0.572 0.000 1.008 1118 R CA -0.480 55.219 56.100 -0.669 0.000 0.896 1118 R CB 0.973 30.779 30.300 -0.823 0.000 1.187 1118 R HN 0.537 nan 8.270 nan 0.000 0.440 1119 F N 4.125 124.005 119.950 -0.116 0.000 2.375 1119 F HA 0.537 5.064 4.527 0.001 0.000 0.333 1119 F C 0.976 176.779 175.800 0.005 0.000 1.104 1119 F CA -0.007 57.968 58.000 -0.042 0.000 1.149 1119 F CB 1.323 40.301 39.000 -0.037 0.000 1.190 1119 F HN 0.419 nan 8.300 nan 0.000 0.533 1120 V N -0.555 119.509 119.914 0.249 0.000 3.149 1120 V HA 0.511 4.632 4.120 0.001 0.000 0.310 1120 V C -0.569 175.594 176.094 0.115 0.000 1.353 1120 V CA -0.839 61.558 62.300 0.161 0.000 1.040 1120 V CB 1.871 33.792 31.823 0.164 0.000 1.136 1120 V HN 0.700 nan 8.190 nan 0.000 0.477 1121 N N 0.211 118.954 118.700 0.073 0.000 2.197 1121 N HA 0.398 5.139 4.740 0.001 0.000 0.201 1121 N C -0.033 175.502 175.510 0.042 0.000 1.148 1121 N CA 0.612 53.690 53.050 0.047 0.000 0.883 1121 N CB 0.718 39.223 38.487 0.031 0.000 1.012 1121 N HN 0.964 nan 8.380 nan 0.000 0.507 1122 S N -2.700 113.026 115.700 0.044 0.000 2.636 1122 S HA 0.482 4.953 4.470 0.001 0.000 0.268 1122 S C 0.868 175.482 174.600 0.023 0.000 1.159 1122 S CA -0.556 57.664 58.200 0.034 0.000 0.815 1122 S CB 0.832 64.049 63.200 0.029 0.000 1.130 1122 S HN -0.024 nan 8.310 nan 0.000 0.471 1123 G N 0.745 109.552 108.800 0.012 0.000 2.402 1123 G HA2 -0.036 3.925 3.960 0.001 0.000 0.216 1123 G HA3 -0.036 3.925 3.960 0.001 0.000 0.216 1123 G C 1.099 175.950 174.900 -0.082 0.000 1.162 1123 G CA 1.499 46.589 45.100 -0.018 0.000 0.777 1123 G HN 0.798 nan 8.290 nan 0.000 0.539 1124 T N 1.110 115.605 114.554 -0.098 0.000 2.737 1124 T HA -0.109 4.242 4.350 0.001 0.000 0.269 1124 T C 2.174 176.791 174.700 -0.138 0.000 1.040 1124 T CA 1.614 63.610 62.100 -0.173 0.000 1.142 1124 T CB -0.177 68.565 68.868 -0.210 0.000 0.861 1124 T HN 0.502 nan 8.240 nan 0.000 0.456 1125 E N 1.019 121.170 120.200 -0.082 0.000 2.072 1125 E HA -0.015 4.336 4.350 0.001 0.000 0.191 1125 E C 2.659 179.199 176.600 -0.100 0.000 0.985 1125 E CA 0.926 57.284 56.400 -0.069 0.000 0.801 1125 E CB -0.230 29.462 29.700 -0.014 0.000 0.750 1125 E HN 0.498 nan 8.360 nan 0.000 0.452 1126 A N 1.207 123.995 122.820 -0.054 0.000 1.858 1126 A HA -0.193 4.127 4.320 0.001 0.000 0.216 1126 A C 2.492 179.962 177.584 -0.190 0.000 1.190 1126 A CA 1.329 53.331 52.037 -0.059 0.000 0.617 1126 A CB -0.946 18.087 19.000 0.054 0.000 0.827 1126 A HN 0.353 nan 8.150 nan 0.000 0.443 1127 C N 0.016 119.221 119.300 -0.159 0.000 2.425 1127 C HA -0.116 4.345 4.460 0.001 0.000 0.277 1127 C C 2.990 177.951 174.990 -0.049 0.000 1.280 1127 C CA 1.353 60.265 59.018 -0.176 0.000 1.744 1127 C CB -1.326 26.206 27.740 -0.347 0.000 1.989 1127 C HN 0.804 nan 8.230 nan 0.000 0.491 1128 M N 0.831 120.406 119.600 -0.041 0.000 2.319 1128 M HA 0.068 4.549 4.480 0.001 0.000 0.265 1128 M C 2.083 178.310 176.300 -0.122 0.000 1.068 1128 M CA 2.128 57.445 55.300 0.028 0.000 1.118 1128 M CB -0.586 32.010 32.600 -0.005 0.000 1.395 1128 M HN 0.176 nan 8.290 nan 0.000 0.435 1129 A N 0.531 123.169 122.820 -0.303 0.000 1.970 1129 A HA 0.050 4.370 4.320 0.001 0.000 0.216 1129 A C 2.196 179.448 177.584 -0.554 0.000 1.170 1129 A CA 1.143 52.870 52.037 -0.516 0.000 0.645 1129 A CB -0.812 17.631 19.000 -0.928 0.000 0.816 1129 A HN 0.347 nan 8.150 nan 0.000 0.447 1130 V N -0.080 119.539 119.914 -0.491 0.000 2.667 1130 V HA -0.110 4.011 4.120 0.001 0.000 0.252 1130 V C 2.189 178.225 176.094 -0.096 0.000 1.065 1130 V CA 1.452 63.605 62.300 -0.247 0.000 1.083 1130 V CB -0.216 31.531 31.823 -0.127 0.000 0.692 1130 V HN 0.532 nan 8.190 nan 0.000 0.468 1131 L N 0.217 121.407 121.223 -0.055 0.000 2.093 1131 L HA -0.107 4.233 4.340 0.001 0.000 0.208 1131 L C 2.522 179.367 176.870 -0.041 0.000 1.085 1131 L CA 2.213 57.053 54.840 -0.000 0.000 0.755 1131 L CB -1.006 41.086 42.059 0.055 0.000 0.904 1131 L HN 0.347 nan 8.230 nan 0.000 0.435 1132 R N -0.477 119.983 120.500 -0.068 0.000 2.062 1132 R HA -0.161 4.180 4.340 0.001 0.000 0.229 1132 R C 2.211 178.505 176.300 -0.010 0.000 1.128 1132 R CA 1.448 57.520 56.100 -0.047 0.000 0.960 1132 R CB -0.287 29.978 30.300 -0.059 0.000 0.855 1132 R HN 0.267 nan 8.270 nan 0.000 0.432 1133 I N 0.469 121.032 120.570 -0.013 0.000 2.394 1133 I HA -0.197 3.974 4.170 0.001 0.000 0.251 1133 I C 2.010 178.170 176.117 0.070 0.000 1.136 1133 I CA 1.396 62.727 61.300 0.052 0.000 1.425 1133 I CB -0.086 37.965 38.000 0.084 0.000 1.079 1133 I HN 0.307 nan 8.210 nan 0.000 0.425 1134 M N -0.199 119.421 119.600 0.034 0.000 2.117 1134 M HA -0.227 4.253 4.480 0.001 0.000 0.262 1134 M C 2.325 178.670 176.300 0.075 0.000 1.065 1134 M CA 1.765 57.094 55.300 0.048 0.000 1.114 1134 M CB -0.185 32.428 32.600 0.022 0.000 1.361 1134 M HN 0.181 nan 8.290 nan 0.000 0.408 1135 R N -0.615 119.909 120.500 0.041 0.000 2.093 1135 R HA 0.040 4.380 4.340 0.001 0.000 0.224 1135 R C 2.198 178.526 176.300 0.047 0.000 1.101 1135 R CA 1.208 57.326 56.100 0.030 0.000 0.979 1135 R CB -0.547 29.749 30.300 -0.006 0.000 0.877 1135 R HN 0.381 nan 8.270 nan 0.000 0.441 1136 A N 0.804 123.660 122.820 0.061 0.000 1.933 1136 A HA -0.208 4.112 4.320 0.001 0.000 0.218 1136 A C 1.983 179.618 177.584 0.085 0.000 1.175 1136 A CA 1.063 53.138 52.037 0.063 0.000 0.628 1136 A CB -0.619 18.424 19.000 0.072 0.000 0.814 1136 A HN 0.405 nan 8.150 nan 0.000 0.444 1137 Y N 1.380 121.687 120.300 0.011 0.000 2.200 1137 Y HA -0.173 4.377 4.550 0.001 0.000 0.290 1137 Y C 2.866 178.772 175.900 0.011 0.000 1.137 1137 Y CA 2.421 60.529 58.100 0.012 0.000 1.163 1137 Y CB -0.331 38.137 38.460 0.013 0.000 0.988 1137 Y HN 0.421 nan 8.280 nan 0.000 0.518 1138 T N -3.778 110.828 114.554 0.087 0.000 3.035 1138 T HA 0.234 4.584 4.350 0.001 0.000 0.259 1138 T C 1.851 176.535 174.700 -0.026 0.000 1.078 1138 T CA 0.906 63.016 62.100 0.017 0.000 1.132 1138 T CB -0.398 68.535 68.868 0.107 0.000 0.900 1138 T HN 0.649 nan 8.240 nan 0.000 0.480 1139 G N 1.733 110.526 108.800 -0.013 0.000 2.199 1139 G HA2 -0.255 3.706 3.960 0.001 0.000 0.254 1139 G HA3 -0.255 3.706 3.960 0.001 0.000 0.254 1139 G C 0.223 175.117 174.900 -0.011 0.000 0.982 1139 G CA 0.070 45.158 45.100 -0.020 0.000 0.632 1139 G HN 0.735 nan 8.290 nan 0.000 0.529 1140 R N 0.261 120.761 120.500 -0.000 0.000 2.457 1140 R HA 0.509 4.850 4.340 0.001 0.000 0.284 1140 R C 0.353 176.640 176.300 -0.022 0.000 1.024 1140 R CA -0.459 55.635 56.100 -0.009 0.000 1.025 1140 R CB 0.779 31.080 30.300 0.002 0.000 1.063 1140 R HN 0.029 nan 8.270 nan 0.000 0.493 1141 D N 1.532 121.910 120.400 -0.037 0.000 2.201 1141 D HA -0.012 4.628 4.640 0.001 0.000 0.209 1141 D C -0.062 176.194 176.300 -0.073 0.000 0.961 1141 D CA 1.055 55.024 54.000 -0.051 0.000 0.861 1141 D CB 0.341 41.110 40.800 -0.052 0.000 0.997 1141 D HN 0.296 nan 8.370 nan 0.000 0.486 1142 K N 0.470 120.818 120.400 -0.087 0.000 2.355 1142 K HA 0.297 4.618 4.320 0.001 0.000 0.270 1142 K C -0.297 176.225 176.600 -0.129 0.000 1.003 1142 K CA 0.023 56.239 56.287 -0.118 0.000 0.957 1142 K CB 1.214 33.631 32.500 -0.139 0.000 0.939 1142 K HN -0.073 nan 8.250 nan 0.000 0.482 1143 I N 2.234 122.720 120.570 -0.140 0.000 2.769 1143 I HA 0.348 4.519 4.170 0.001 0.000 0.298 1143 I C -1.119 174.912 176.117 -0.144 0.000 1.128 1143 I CA -0.469 60.757 61.300 -0.122 0.000 1.031 1143 I CB 1.910 39.852 38.000 -0.096 0.000 1.235 1143 I HN 0.453 nan 8.210 nan 0.000 0.423 1144 I N 6.074 126.559 120.570 -0.142 0.000 2.406 1144 I HA 0.446 4.617 4.170 0.001 0.000 0.290 1144 I C -0.687 175.318 176.117 -0.185 0.000 0.999 1144 I CA -0.585 60.594 61.300 -0.201 0.000 1.124 1144 I CB 1.339 39.177 38.000 -0.270 0.000 1.289 1144 I HN 0.516 nan 8.210 nan 0.000 0.441 1145 K N 4.782 125.059 120.400 -0.206 0.000 2.395 1145 K HA 0.715 5.035 4.320 0.001 0.000 0.245 1145 K C -1.476 174.929 176.600 -0.325 0.000 1.017 1145 K CA -0.785 55.447 56.287 -0.091 0.000 0.852 1145 K CB 1.761 34.392 32.500 0.218 0.000 1.311 1145 K HN 0.176 nan 8.250 nan 0.000 0.452 1146 F N 0.617 120.698 119.950 0.218 0.000 2.458 1146 F HA 0.282 4.810 4.527 0.001 0.000 0.330 1146 F C 0.482 176.346 175.800 0.107 0.000 1.082 1146 F CA -0.781 57.340 58.000 0.201 0.000 0.995 1146 F CB 1.812 41.021 39.000 0.349 0.000 1.170 1146 F HN 0.609 nan 8.300 nan 0.000 0.478 1147 E N 1.125 121.473 120.200 0.246 0.000 2.417 1147 E HA 0.339 4.690 4.350 0.001 0.000 0.261 1147 E C 0.909 177.504 176.600 -0.010 0.000 1.000 1147 E CA 1.047 57.499 56.400 0.087 0.000 0.919 1147 E CB 0.301 30.086 29.700 0.142 0.000 0.955 1147 E HN 0.901 nan 8.360 nan 0.000 0.455 1148 G N 3.436 112.051 108.800 -0.308 0.000 2.313 1148 G HA2 -0.268 3.693 3.960 0.001 0.000 0.215 1148 G HA3 -0.268 3.693 3.960 0.001 0.000 0.215 1148 G C 0.352 175.107 174.900 -0.242 0.000 1.023 1148 G CA -0.078 44.722 45.100 -0.500 0.000 0.626 1148 G HN 0.667 nan 8.290 nan 0.000 0.503 1149 C N 0.481 119.733 119.300 -0.081 0.000 2.656 1149 C HA 0.629 5.090 4.460 0.001 0.000 0.391 1149 C C 0.168 175.051 174.990 -0.177 0.000 1.300 1149 C CA 0.288 59.278 59.018 -0.046 0.000 2.302 1149 C CB 0.257 28.085 27.740 0.148 0.000 2.655 1149 C HN 0.488 nan 8.230 nan 0.000 0.656 1150 Y N 1.255 121.336 120.300 -0.365 0.000 2.421 1150 Y HA 0.423 4.974 4.550 0.001 0.000 0.339 1150 Y C 0.240 175.936 175.900 -0.339 0.000 0.996 1150 Y CA -0.501 57.350 58.100 -0.415 0.000 1.046 1150 Y CB 0.717 39.056 38.460 -0.200 0.000 1.226 1150 Y HN 0.809 nan 8.280 nan 0.000 0.445 1151 H N 3.600 122.105 119.070 -0.943 0.000 2.750 1151 H HA 0.523 5.079 4.556 0.001 0.000 0.252 1151 H C 0.652 175.262 175.328 -1.196 0.000 1.176 1151 H CA -0.208 55.227 56.048 -1.022 0.000 0.987 1151 H CB 0.543 29.536 29.762 -1.281 0.000 1.810 1151 H HN 0.904 nan 8.280 nan 0.000 0.630 1152 G N 1.134 109.022 108.800 -1.519 0.000 2.603 1152 G HA2 -0.214 3.747 3.960 0.001 0.000 0.686 1152 G HA3 -0.214 3.747 3.960 0.001 0.000 0.686 1152 G C 0.032 174.683 174.900 -0.416 0.000 1.286 1152 G CA -0.338 44.261 45.100 -0.835 0.000 0.871 1152 G HN 0.618 nan 8.290 nan 0.000 0.568 1153 H N -0.726 118.308 119.070 -0.060 0.000 2.592 1153 H HA 0.696 5.253 4.556 0.001 0.000 0.291 1153 H C 1.252 176.648 175.328 0.113 0.000 1.052 1153 H CA 0.847 56.944 56.048 0.081 0.000 1.175 1153 H CB -0.176 29.647 29.762 0.102 0.000 1.378 1153 H HN 1.180 nan 8.280 nan 0.000 0.576 1154 A N 0.847 123.664 122.820 -0.005 0.000 2.511 1154 A HA -0.025 4.296 4.320 0.001 0.000 0.242 1154 A C 0.677 178.344 177.584 0.138 0.000 1.069 1154 A CA 0.121 52.205 52.037 0.078 0.000 0.763 1154 A CB 0.073 19.225 19.000 0.253 0.000 1.001 1154 A HN 0.606 nan 8.150 nan 0.000 0.498 1155 D N 2.149 122.573 120.400 0.040 0.000 2.170 1155 D HA -0.282 4.358 4.640 0.001 0.000 0.193 1155 D C 2.029 178.283 176.300 -0.077 0.000 1.004 1155 D CA 2.338 56.341 54.000 0.006 0.000 0.860 1155 D CB -0.306 40.485 40.800 -0.014 0.000 0.931 1155 D HN 0.731 nan 8.370 nan 0.000 0.448 1156 M N -0.803 118.651 119.600 -0.243 0.000 2.446 1156 M HA -0.044 4.437 4.480 0.001 0.000 0.263 1156 M C 1.103 177.151 176.300 -0.421 0.000 1.066 1156 M CA 1.420 56.486 55.300 -0.390 0.000 1.087 1156 M CB -0.996 31.265 32.600 -0.564 0.000 1.406 1156 M HN 0.039 nan 8.290 nan 0.000 0.459 1157 F N 0.601 120.529 119.950 -0.036 0.000 2.776 1157 F HA 0.208 4.736 4.527 0.001 0.000 0.300 1157 F C 0.672 176.454 175.800 -0.030 0.000 1.116 1157 F CA -0.264 57.709 58.000 -0.045 0.000 1.375 1157 F CB -0.153 38.795 39.000 -0.088 0.000 1.109 1157 F HN 0.023 nan 8.300 nan 0.000 0.585 1158 L N 1.167 122.461 121.223 0.119 0.000 2.934 1158 L HA 0.203 4.543 4.340 0.001 0.000 0.233 1158 L C -0.000 176.893 176.870 0.039 0.000 1.358 1158 L CA -0.049 54.846 54.840 0.092 0.000 1.233 1158 L CB -0.119 41.996 42.059 0.093 0.000 1.594 1158 L HN -0.089 nan 8.230 nan 0.000 0.439 1159 V N 0.343 120.274 119.914 0.028 0.000 2.435 1159 V HA 0.362 4.482 4.120 0.001 0.000 0.290 1159 V C 0.407 176.505 176.094 0.005 0.000 1.030 1159 V CA -0.961 61.340 62.300 0.002 0.000 0.881 1159 V CB 1.766 33.576 31.823 -0.021 0.000 0.983 1159 V HN 0.370 nan 8.190 nan 0.000 0.445 1160 K N 4.540 124.941 120.400 0.002 0.000 2.447 1160 K HA 0.496 4.817 4.320 0.001 0.000 0.281 1160 K C -0.033 176.571 176.600 0.007 0.000 1.031 1160 K CA 0.572 56.862 56.287 0.005 0.000 1.019 1160 K CB 0.707 33.210 32.500 0.005 0.000 0.918 1160 K HN 0.906 nan 8.250 nan 0.000 0.476 1161 A N 2.516 125.345 122.820 0.014 0.000 2.354 1161 A HA 0.887 5.208 4.320 0.001 0.000 0.321 1161 A C -0.276 177.342 177.584 0.057 0.000 1.125 1161 A CA -0.117 51.937 52.037 0.028 0.000 0.799 1161 A CB 1.718 20.730 19.000 0.019 0.000 1.293 1161 A HN 0.809 nan 8.150 nan 0.000 0.452 1162 G N -0.484 108.356 108.800 0.065 0.000 2.348 1162 G HA2 0.397 4.358 3.960 0.001 0.000 0.606 1162 G HA3 0.397 4.358 3.960 0.001 0.000 0.606 1162 G C -0.420 174.506 174.900 0.045 0.000 1.466 1162 G CA -0.332 44.810 45.100 0.070 0.000 0.950 1162 G HN 1.161 nan 8.290 nan 0.000 0.657 1163 S N -0.192 115.533 115.700 0.040 0.000 2.558 1163 S HA 0.442 4.912 4.470 0.001 0.000 0.288 1163 S C 1.623 176.234 174.600 0.018 0.000 1.318 1163 S CA 1.915 60.132 58.200 0.027 0.000 1.056 1163 S CB 0.982 64.196 63.200 0.022 0.000 0.853 1163 S HN 2.554 nan 8.310 nan 0.000 0.505 1164 G N 0.619 109.427 108.800 0.013 0.000 2.194 1164 G HA2 -0.249 3.711 3.960 0.001 0.000 0.236 1164 G HA3 -0.249 3.711 3.960 0.001 0.000 0.236 1164 G C 0.420 175.322 174.900 0.005 0.000 0.987 1164 G CA 0.293 45.397 45.100 0.007 0.000 0.635 1164 G HN 1.649 nan 8.290 nan 0.000 0.520 1165 V N -3.986 115.932 119.914 0.006 0.000 3.486 1165 V HA 0.775 4.896 4.120 0.001 0.000 0.335 1165 V C 1.895 177.987 176.094 -0.003 0.000 1.506 1165 V CA 0.850 63.151 62.300 0.001 0.000 1.206 1165 V CB -0.420 31.406 31.823 0.004 0.000 1.049 1165 V HN 1.415 nan 8.190 nan 0.000 0.502 1166 A N 2.508 125.327 122.820 -0.002 0.000 1.859 1166 A HA -0.203 4.118 4.320 0.001 0.000 0.218 1166 A C 2.230 179.797 177.584 -0.030 0.000 1.209 1166 A CA 3.202 55.233 52.037 -0.011 0.000 0.639 1166 A CB -1.151 17.845 19.000 -0.006 0.000 0.835 1166 A HN 1.225 nan 8.150 nan 0.000 0.450 1167 T N -3.353 111.182 114.554 -0.032 0.000 3.107 1167 T HA 0.210 4.560 4.350 0.001 0.000 0.249 1167 T C 1.283 175.960 174.700 -0.038 0.000 1.096 1167 T CA 0.646 62.719 62.100 -0.045 0.000 1.012 1167 T CB -0.035 68.805 68.868 -0.046 0.000 0.977 1167 T HN 0.059 nan 8.240 nan 0.000 0.527 1168 L N 2.121 123.328 121.223 -0.027 0.000 2.456 1168 L HA 0.340 4.681 4.340 0.001 0.000 0.224 1168 L C 1.879 178.733 176.870 -0.027 0.000 1.148 1168 L CA 0.740 55.566 54.840 -0.023 0.000 0.825 1168 L CB -1.281 40.769 42.059 -0.014 0.000 0.937 1168 L HN 0.603 nan 8.230 nan 0.000 0.450 1169 G N 0.521 109.301 108.800 -0.034 0.000 2.441 1169 G HA2 -0.303 3.658 3.960 0.001 0.000 0.298 1169 G HA3 -0.303 3.658 3.960 0.001 0.000 0.298 1169 G C 0.217 175.099 174.900 -0.031 0.000 0.949 1169 G CA 0.501 45.578 45.100 -0.039 0.000 1.072 1169 G HN 0.359 nan 8.290 nan 0.000 0.512 1170 L N 1.425 122.636 121.223 -0.021 0.000 2.305 1170 L HA 0.352 4.692 4.340 0.001 0.000 0.281 1170 L C -1.411 175.453 176.870 -0.011 0.000 1.085 1170 L CA -2.196 52.636 54.840 -0.014 0.000 0.813 1170 L CB 1.176 43.230 42.059 -0.008 0.000 1.157 1170 L HN 0.025 nan 8.230 nan 0.000 0.436 1171 P HA -0.029 nan 4.420 nan 0.000 0.270 1171 P C 0.026 177.329 177.300 0.004 0.000 1.242 1171 P CA -0.060 63.038 63.100 -0.003 0.000 0.768 1171 P CB 1.260 32.958 31.700 -0.004 0.000 0.820 1172 S N 2.144 117.850 115.700 0.010 0.000 2.768 1172 S HA 0.216 4.687 4.470 0.001 0.000 0.246 1172 S C 0.251 174.861 174.600 0.016 0.000 1.006 1172 S CA -0.192 58.015 58.200 0.012 0.000 1.075 1172 S CB -0.815 62.392 63.200 0.012 0.000 0.786 1172 S HN 0.555 nan 8.310 nan 0.000 0.468 1173 S N 1.575 117.285 115.700 0.017 0.000 2.556 1173 S HA 0.521 4.992 4.470 0.001 0.000 0.280 1173 S C -3.119 171.490 174.600 0.016 0.000 1.141 1173 S CA -1.015 57.197 58.200 0.019 0.000 0.883 1173 S CB 1.432 64.651 63.200 0.032 0.000 1.103 1173 S HN 0.256 nan 8.310 nan 0.000 0.453 1174 P HA 0.496 nan 4.420 nan 0.000 0.276 1174 P C 0.879 178.187 177.300 0.014 0.000 1.252 1174 P CA 0.781 63.888 63.100 0.011 0.000 0.802 1174 P CB 0.691 32.396 31.700 0.009 0.000 1.035 1175 G N -0.304 108.503 108.800 0.012 0.000 2.234 1175 G HA2 -0.202 3.759 3.960 0.001 0.000 0.235 1175 G HA3 -0.202 3.759 3.960 0.001 0.000 0.235 1175 G C -0.099 174.811 174.900 0.015 0.000 0.997 1175 G CA 0.110 45.219 45.100 0.014 0.000 0.623 1175 G HN 0.788 nan 8.290 nan 0.000 0.514 1176 V N 1.448 121.370 119.914 0.014 0.000 2.370 1176 V HA 0.799 4.919 4.120 0.001 0.000 0.283 1176 V C -1.947 174.146 176.094 -0.001 0.000 1.023 1176 V CA -2.012 60.294 62.300 0.009 0.000 0.857 1176 V CB 1.422 33.253 31.823 0.013 0.000 0.985 1176 V HN 0.093 nan 8.190 nan 0.000 0.443 1177 P HA 0.221 nan 4.420 nan 0.000 0.270 1177 P C 0.438 177.727 177.300 -0.017 0.000 1.223 1177 P CA -0.157 62.937 63.100 -0.011 0.000 0.785 1177 P CB 0.621 32.313 31.700 -0.013 0.000 0.923 1178 K N 1.729 122.118 120.400 -0.017 0.000 2.097 1178 K HA -0.153 4.168 4.320 0.001 0.000 0.205 1178 K C 1.487 178.069 176.600 -0.030 0.000 1.050 1178 K CA 1.345 57.619 56.287 -0.021 0.000 0.938 1178 K CB -0.055 32.434 32.500 -0.018 0.000 0.718 1178 K HN 0.276 nan 8.250 nan 0.000 0.442 1179 K N 0.018 120.401 120.400 -0.028 0.000 2.127 1179 K HA -0.197 4.123 4.320 0.001 0.000 0.208 1179 K C 2.187 178.759 176.600 -0.046 0.000 1.047 1179 K CA 2.082 58.348 56.287 -0.034 0.000 0.927 1179 K CB -0.508 31.975 32.500 -0.029 0.000 0.716 1179 K HN 0.433 nan 8.250 nan 0.000 0.450 1180 T N -0.544 113.981 114.554 -0.049 0.000 2.701 1180 T HA -0.132 4.218 4.350 0.001 0.000 0.263 1180 T C 2.228 176.874 174.700 -0.089 0.000 1.040 1180 T CA 1.757 63.816 62.100 -0.069 0.000 1.147 1180 T CB -0.926 67.903 68.868 -0.066 0.000 0.865 1180 T HN 0.342 nan 8.240 nan 0.000 0.426 1181 T N -0.033 114.475 114.554 -0.076 0.000 3.113 1181 T HA 0.420 4.771 4.350 0.001 0.000 0.263 1181 T C 2.164 176.818 174.700 -0.076 0.000 1.143 1181 T CA 0.605 62.654 62.100 -0.083 0.000 1.090 1181 T CB -0.587 68.247 68.868 -0.057 0.000 0.922 1181 T HN 0.524 nan 8.240 nan 0.000 0.521 1182 A N 2.898 125.678 122.820 -0.067 0.000 1.972 1182 A HA -0.084 4.236 4.320 0.001 0.000 0.219 1182 A C 2.196 179.736 177.584 -0.074 0.000 1.169 1182 A CA 1.166 53.167 52.037 -0.061 0.000 0.635 1182 A CB -0.478 18.492 19.000 -0.050 0.000 0.810 1182 A HN 0.564 nan 8.150 nan 0.000 0.446 1183 N N -0.159 118.488 118.700 -0.088 0.000 2.322 1183 N HA 0.004 4.745 4.740 0.001 0.000 0.194 1183 N C -0.494 174.944 175.510 -0.119 0.000 1.126 1183 N CA 0.376 53.366 53.050 -0.100 0.000 0.845 1183 N CB 0.280 38.707 38.487 -0.099 0.000 0.976 1183 N HN 0.229 nan 8.380 nan 0.000 0.475 1184 T N 2.434 116.918 114.554 -0.117 0.000 2.891 1184 T HA 0.292 4.643 4.350 0.001 0.000 0.315 1184 T C -0.061 174.578 174.700 -0.101 0.000 1.054 1184 T CA -0.459 61.568 62.100 -0.121 0.000 0.958 1184 T CB 0.599 69.390 68.868 -0.128 0.000 1.008 1184 T HN -0.133 nan 8.240 nan 0.000 0.521 1185 L N 4.250 125.401 121.223 -0.120 0.000 2.292 1185 L HA 0.537 4.878 4.340 0.001 0.000 0.284 1185 L C 1.088 177.880 176.870 -0.128 0.000 1.065 1185 L CA -0.207 54.559 54.840 -0.122 0.000 0.806 1185 L CB 0.931 42.896 42.059 -0.157 0.000 1.175 1185 L HN 0.670 nan 8.230 nan 0.000 0.431 1186 T N -0.689 113.807 114.554 -0.098 0.000 2.940 1186 T HA 0.870 5.220 4.350 0.001 0.000 0.288 1186 T C -0.201 174.450 174.700 -0.081 0.000 1.045 1186 T CA -0.595 61.446 62.100 -0.098 0.000 1.018 1186 T CB 2.141 70.988 68.868 -0.035 0.000 1.151 1186 T HN 0.570 nan 8.240 nan 0.000 0.529 1187 T N 1.495 116.011 114.554 -0.063 0.000 2.786 1187 T HA 0.561 4.911 4.350 0.001 0.000 0.316 1187 T C -3.138 171.706 174.700 0.239 0.000 1.503 1187 T CA -1.203 60.925 62.100 0.047 0.000 1.019 1187 T CB 1.813 70.687 68.868 0.010 0.000 1.415 1187 T HN 0.697 nan 8.240 nan 0.000 0.496 1188 P HA 0.143 nan 4.420 nan 0.000 0.268 1188 P C -0.863 176.673 177.300 0.393 0.000 1.204 1188 P CA -0.187 63.084 63.100 0.285 0.000 0.768 1188 P CB 0.178 31.974 31.700 0.160 0.000 0.842 1189 Y N 4.107 124.520 120.300 0.189 0.000 2.652 1189 Y HA -0.113 4.438 4.550 0.001 0.000 0.344 1189 Y C 1.409 177.057 175.900 -0.420 0.000 1.254 1189 Y CA 1.274 59.299 58.100 -0.125 0.000 1.480 1189 Y CB -0.298 38.082 38.460 -0.132 0.000 1.345 1189 Y HN 0.604 nan 8.280 nan 0.000 0.617 1190 N N 2.500 120.197 118.700 -1.673 0.000 2.740 1190 N HA -0.256 4.484 4.740 0.001 0.000 0.248 1190 N C -1.677 173.371 175.510 -0.770 0.000 1.062 1190 N CA 0.876 52.833 53.050 -1.822 0.000 0.704 1190 N CB -0.702 37.333 38.487 -0.754 0.000 0.968 1190 N HN 0.497 nan 8.380 nan 0.000 0.547 1191 D N 0.573 120.753 120.400 -0.366 0.000 2.468 1191 D HA 0.200 4.840 4.640 0.001 0.000 0.272 1191 D C 0.953 177.417 176.300 0.275 0.000 1.221 1191 D CA -0.405 53.618 54.000 0.038 0.000 0.860 1191 D CB 0.278 41.137 40.800 0.098 0.000 1.190 1191 D HN 0.158 nan 8.370 nan 0.000 0.509 1192 L N 1.197 122.606 121.223 0.310 0.000 2.079 1192 L HA -0.161 4.180 4.340 0.001 0.000 0.210 1192 L C 2.164 179.154 176.870 0.201 0.000 1.081 1192 L CA 0.994 56.016 54.840 0.303 0.000 0.752 1192 L CB 0.028 42.227 42.059 0.233 0.000 0.896 1192 L HN 0.255 nan 8.230 nan 0.000 0.433 1193 E N 0.098 120.385 120.200 0.146 0.000 2.077 1193 E HA -0.196 4.155 4.350 0.001 0.000 0.193 1193 E C 2.321 178.992 176.600 0.119 0.000 0.989 1193 E CA 1.372 57.838 56.400 0.111 0.000 0.800 1193 E CB -0.322 29.424 29.700 0.076 0.000 0.746 1193 E HN 0.481 nan 8.360 nan 0.000 0.452 1194 A N 0.922 123.821 122.820 0.133 0.000 1.972 1194 A HA -0.129 4.191 4.320 0.001 0.000 0.219 1194 A C 2.570 180.233 177.584 0.131 0.000 1.169 1194 A CA 1.389 53.498 52.037 0.121 0.000 0.635 1194 A CB -0.454 18.627 19.000 0.134 0.000 0.810 1194 A HN 0.143 nan 8.150 nan 0.000 0.446 1195 V N -0.032 119.998 119.914 0.195 0.000 2.346 1195 V HA -0.188 3.932 4.120 0.001 0.000 0.244 1195 V C 2.341 178.583 176.094 0.246 0.000 1.037 1195 V CA 1.951 64.379 62.300 0.214 0.000 1.029 1195 V CB -0.586 31.419 31.823 0.303 0.000 0.663 1195 V HN 0.490 nan 8.190 nan 0.000 0.454 1196 K N 0.457 120.975 120.400 0.197 0.000 2.152 1196 K HA -0.181 4.140 4.320 0.001 0.000 0.206 1196 K C 2.235 178.936 176.600 0.168 0.000 1.048 1196 K CA 1.562 57.951 56.287 0.170 0.000 0.933 1196 K CB -0.355 32.216 32.500 0.119 0.000 0.721 1196 K HN 0.492 nan 8.250 nan 0.000 0.447 1197 A N 1.384 124.280 122.820 0.125 0.000 1.897 1197 A HA -0.074 4.247 4.320 0.001 0.000 0.215 1197 A C 2.105 179.728 177.584 0.065 0.000 1.181 1197 A CA 0.878 52.967 52.037 0.088 0.000 0.620 1197 A CB -0.503 18.534 19.000 0.061 0.000 0.821 1197 A HN 0.146 nan 8.150 nan 0.000 0.443 1198 L N -1.923 119.323 121.223 0.037 0.000 2.127 1198 L HA -0.196 4.145 4.340 0.001 0.000 0.211 1198 L C 2.335 179.119 176.870 -0.143 0.000 1.089 1198 L CA 1.269 56.065 54.840 -0.072 0.000 0.757 1198 L CB -0.467 41.506 42.059 -0.143 0.000 0.899 1198 L HN 0.412 nan 8.230 nan 0.000 0.434 1199 F N -0.656 119.227 119.950 -0.111 0.000 2.367 1199 F HA -0.071 4.457 4.527 0.001 0.000 0.298 1199 F C 2.444 178.210 175.800 -0.057 0.000 1.094 1199 F CA 0.902 58.792 58.000 -0.182 0.000 1.409 1199 F CB -0.258 38.447 39.000 -0.493 0.000 1.064 1199 F HN -0.007 nan 8.300 nan 0.000 0.528 1200 A N -0.178 122.738 122.820 0.159 0.000 1.930 1200 A HA -0.107 4.213 4.320 0.001 0.000 0.215 1200 A C 1.978 179.600 177.584 0.064 0.000 1.176 1200 A CA 1.272 53.384 52.037 0.125 0.000 0.632 1200 A CB -0.523 18.542 19.000 0.108 0.000 0.819 1200 A HN 0.364 nan 8.150 nan 0.000 0.445 1201 E N 0.242 120.458 120.200 0.028 0.000 2.274 1201 E HA -0.035 4.316 4.350 0.001 0.000 0.194 1201 E C -0.194 176.396 176.600 -0.017 0.000 0.996 1201 E CA 0.614 57.014 56.400 0.001 0.000 0.840 1201 E CB 0.037 29.728 29.700 -0.015 0.000 0.772 1201 E HN 0.497 nan 8.360 nan 0.000 0.491 1202 N N 1.545 120.222 118.700 -0.037 0.000 2.757 1202 N HA 0.147 4.887 4.740 0.001 0.000 0.296 1202 N C -2.729 172.767 175.510 -0.023 0.000 1.874 1202 N CA -0.964 52.052 53.050 -0.058 0.000 0.885 1202 N CB 1.180 39.590 38.487 -0.128 0.000 1.242 1202 N HN 0.064 nan 8.380 nan 0.000 0.488 1203 P HA 0.031 nan 4.420 nan 0.000 0.267 1203 P C 1.002 178.345 177.300 0.072 0.000 1.205 1203 P CA 0.902 64.058 63.100 0.094 0.000 0.765 1203 P CB 0.754 32.509 31.700 0.090 0.000 0.828 1204 G N 3.425 112.293 108.800 0.113 0.000 2.196 1204 G HA2 -0.296 3.664 3.960 0.001 0.000 0.268 1204 G HA3 -0.296 3.664 3.960 0.001 0.000 0.268 1204 G C 0.681 175.605 174.900 0.039 0.000 0.975 1204 G CA 0.454 45.603 45.100 0.082 0.000 0.648 1204 G HN 0.614 nan 8.290 nan 0.000 0.538 1205 E N -0.831 119.371 120.200 0.005 0.000 2.473 1205 E HA 0.291 4.642 4.350 0.001 0.000 0.204 1205 E C 0.837 177.390 176.600 -0.078 0.000 0.994 1205 E CA -0.258 56.120 56.400 -0.037 0.000 0.945 1205 E CB 0.701 30.368 29.700 -0.056 0.000 0.990 1205 E HN 0.562 nan 8.360 nan 0.000 0.493 1206 I N 1.825 122.323 120.570 -0.120 0.000 2.301 1206 I HA 0.100 4.271 4.170 0.001 0.000 0.292 1206 I C 1.176 177.268 176.117 -0.042 0.000 1.046 1206 I CA -0.347 60.825 61.300 -0.214 0.000 1.282 1206 I CB 1.397 38.987 38.000 -0.685 0.000 1.409 1206 I HN 0.050 nan 8.210 nan 0.000 0.484 1207 A N 5.353 128.156 122.820 -0.029 0.000 1.898 1207 A HA 0.319 4.640 4.320 0.001 0.000 0.216 1207 A C 1.131 178.766 177.584 0.084 0.000 1.181 1207 A CA 1.371 53.433 52.037 0.041 0.000 0.620 1207 A CB -0.214 18.799 19.000 0.021 0.000 0.819 1207 A HN 0.846 nan 8.150 nan 0.000 0.442 1208 G N -3.332 105.499 108.800 0.052 0.000 2.322 1208 G HA2 0.445 4.406 3.960 0.001 0.000 0.295 1208 G HA3 0.445 4.406 3.960 0.001 0.000 0.295 1208 G C -1.635 173.309 174.900 0.073 0.000 1.369 1208 G CA -0.027 45.138 45.100 0.109 0.000 0.821 1208 G HN 0.531 nan 8.290 nan 0.000 0.536 1209 V N 0.634 120.623 119.914 0.125 0.000 2.513 1209 V HA 0.720 4.840 4.120 0.001 0.000 0.299 1209 V C -0.102 176.088 176.094 0.160 0.000 1.035 1209 V CA -0.701 61.676 62.300 0.128 0.000 0.889 1209 V CB 1.546 33.495 31.823 0.210 0.000 0.988 1209 V HN 0.786 nan 8.190 nan 0.000 0.440 1210 I N 6.036 126.706 120.570 0.167 0.000 2.646 1210 I HA 0.827 4.998 4.170 0.001 0.000 0.299 1210 I C -1.077 175.221 176.117 0.301 0.000 1.036 1210 I CA -0.666 60.722 61.300 0.147 0.000 1.074 1210 I CB 1.678 39.680 38.000 0.003 0.000 1.258 1210 I HN 0.781 nan 8.210 nan 0.000 0.430 1211 L N 2.989 124.360 121.223 0.247 0.000 2.940 1211 L HA 0.543 4.883 4.340 0.001 0.000 0.270 1211 L C -1.771 175.209 176.870 0.183 0.000 1.030 1211 L CA -0.991 54.084 54.840 0.393 0.000 0.928 1211 L CB 1.856 44.198 42.059 0.472 0.000 1.506 1211 L HN 0.488 nan 8.230 nan 0.000 0.405 1212 E N 1.562 121.900 120.200 0.230 0.000 2.130 1212 E HA 0.251 4.601 4.350 0.001 0.000 0.284 1212 E C -1.999 174.575 176.600 -0.043 0.000 1.018 1212 E CA -1.643 54.799 56.400 0.070 0.000 0.817 1212 E CB 1.486 31.233 29.700 0.077 0.000 1.078 1212 E HN 0.461 nan 8.360 nan 0.000 0.396 1213 P HA -0.146 nan 4.420 nan 0.000 0.219 1213 P C -0.232 176.964 177.300 -0.172 0.000 1.144 1213 P CA 1.389 64.180 63.100 -0.514 0.000 0.806 1213 P CB 0.300 31.550 31.700 -0.749 0.000 0.771 1214 I N -1.865 118.636 120.570 -0.116 0.000 2.649 1214 I HA 0.110 4.281 4.170 0.001 0.000 0.289 1214 I C -0.503 175.510 176.117 -0.174 0.000 1.222 1214 I CA -1.221 60.001 61.300 -0.130 0.000 1.046 1214 I CB 2.879 40.779 38.000 -0.166 0.000 1.272 1214 I HN -0.467 nan 8.210 nan 0.000 0.425 1215 V N 4.564 124.277 119.914 -0.334 0.000 2.881 1215 V HA 0.418 4.539 4.120 0.001 0.000 0.303 1215 V C 1.049 177.039 176.094 -0.174 0.000 1.070 1215 V CA 0.399 62.515 62.300 -0.307 0.000 1.074 1215 V CB 1.222 32.724 31.823 -0.534 0.000 1.012 1215 V HN 1.062 nan 8.190 nan 0.000 0.482 1216 G N 1.736 110.519 108.800 -0.028 0.000 2.801 1216 G HA2 0.029 3.990 3.960 0.001 0.000 0.191 1216 G HA3 0.029 3.990 3.960 0.001 0.000 0.191 1216 G C 0.507 175.451 174.900 0.074 0.000 1.223 1216 G CA -0.195 44.949 45.100 0.073 0.000 0.904 1216 G HN 0.649 nan 8.290 nan 0.000 0.789 1217 N N 0.821 119.549 118.700 0.046 0.000 2.295 1217 N HA 0.268 5.009 4.740 0.001 0.000 0.221 1217 N C 0.505 176.028 175.510 0.020 0.000 1.129 1217 N CA 0.087 53.153 53.050 0.027 0.000 0.836 1217 N CB 0.740 39.237 38.487 0.018 0.000 1.040 1217 N HN 0.095 nan 8.380 nan 0.000 0.494 1218 S N -0.772 114.994 115.700 0.110 0.000 3.088 1218 S HA 0.447 4.917 4.470 0.001 0.000 0.249 1218 S C 0.328 175.210 174.600 0.470 0.000 0.877 1218 S CA -0.205 58.181 58.200 0.310 0.000 1.184 1218 S CB 0.923 64.241 63.200 0.198 0.000 1.170 1218 S HN 0.494 nan 8.310 nan 0.000 0.603 1219 G N 1.899 110.834 108.800 0.226 0.000 2.566 1219 G HA2 -0.048 3.913 3.960 0.001 0.000 0.599 1219 G HA3 -0.048 3.913 3.960 0.001 0.000 0.599 1219 G C -0.956 174.026 174.900 0.136 0.000 1.292 1219 G CA -1.018 44.081 45.100 -0.002 0.000 0.922 1219 G HN 0.301 nan 8.290 nan 0.000 0.514 1220 F N 0.694 120.584 119.950 -0.101 0.000 2.445 1220 F HA 0.752 5.279 4.527 0.001 0.000 0.359 1220 F C 0.626 176.519 175.800 0.156 0.000 1.101 1220 F CA -0.681 57.311 58.000 -0.013 0.000 1.177 1220 F CB 0.390 39.338 39.000 -0.087 0.000 1.110 1220 F HN 0.425 nan 8.300 nan 0.000 0.522 1221 I N 7.702 127.995 120.570 -0.463 0.000 2.500 1221 I HA 0.280 4.451 4.170 0.001 0.000 0.286 1221 I C -1.007 174.798 176.117 -0.519 0.000 1.063 1221 I CA -1.088 59.977 61.300 -0.392 0.000 1.062 1221 I CB 1.852 39.640 38.000 -0.354 0.000 1.223 1221 I HN 0.407 nan 8.210 nan 0.000 0.435 1222 V N 4.292 124.000 119.914 -0.343 0.000 2.612 1222 V HA 0.694 4.815 4.120 0.001 0.000 0.301 1222 V C -2.427 173.708 176.094 0.070 0.000 1.046 1222 V CA -2.173 60.044 62.300 -0.138 0.000 0.946 1222 V CB 1.175 32.976 31.823 -0.037 0.000 1.003 1222 V HN 0.498 nan 8.190 nan 0.000 0.459 1223 P HA 0.220 nan 4.420 nan 0.000 0.271 1223 P C -0.791 176.554 177.300 0.076 0.000 1.216 1223 P CA 0.056 63.265 63.100 0.182 0.000 0.776 1223 P CB 0.704 32.586 31.700 0.302 0.000 0.881 1224 D N 0.446 120.853 120.400 0.012 0.000 2.377 1224 D HA 0.263 4.904 4.640 0.001 0.000 0.245 1224 D C 0.445 176.783 176.300 0.064 0.000 1.196 1224 D CA -0.083 53.934 54.000 0.028 0.000 0.962 1224 D CB 0.522 41.346 40.800 0.041 0.000 1.127 1224 D HN 0.374 nan 8.370 nan 0.000 0.471 1225 A N -0.180 122.659 122.820 0.033 0.000 2.546 1225 A HA 0.408 4.729 4.320 0.001 0.000 0.243 1225 A C 1.415 179.036 177.584 0.060 0.000 1.063 1225 A CA 0.687 52.736 52.037 0.020 0.000 0.757 1225 A CB -0.454 18.547 19.000 0.002 0.000 0.991 1225 A HN 0.816 nan 8.150 nan 0.000 0.503 1226 G N 1.174 110.007 108.800 0.056 0.000 2.189 1226 G HA2 -0.353 3.607 3.960 0.001 0.000 0.267 1226 G HA3 -0.353 3.607 3.960 0.001 0.000 0.267 1226 G C 0.723 175.689 174.900 0.110 0.000 0.975 1226 G CA 1.073 46.212 45.100 0.066 0.000 0.644 1226 G HN 1.348 nan 8.290 nan 0.000 0.537 1227 F N 0.880 120.812 119.950 -0.030 0.000 2.084 1227 F HA 0.224 4.752 4.527 0.001 0.000 0.296 1227 F C 2.506 178.283 175.800 -0.037 0.000 1.111 1227 F CA 2.003 59.965 58.000 -0.063 0.000 1.224 1227 F CB -0.488 38.424 39.000 -0.146 0.000 0.991 1227 F HN 0.175 nan 8.300 nan 0.000 0.471 1228 L N -0.115 121.015 121.223 -0.154 0.000 2.027 1228 L HA -0.183 4.158 4.340 0.001 0.000 0.206 1228 L C 2.334 179.170 176.870 -0.057 0.000 1.074 1228 L CA 1.601 56.342 54.840 -0.165 0.000 0.745 1228 L CB -0.890 41.206 42.059 0.062 0.000 0.898 1228 L HN 0.067 nan 8.230 nan 0.000 0.433 1229 E N 0.495 120.697 120.200 0.004 0.000 2.130 1229 E HA -0.181 4.169 4.350 0.001 0.000 0.196 1229 E C 2.138 178.724 176.600 -0.023 0.000 0.998 1229 E CA 1.319 57.724 56.400 0.009 0.000 0.806 1229 E CB -0.532 29.181 29.700 0.020 0.000 0.738 1229 E HN 0.503 nan 8.360 nan 0.000 0.459 1230 G N 0.380 109.152 108.800 -0.046 0.000 2.394 1230 G HA2 -0.188 3.773 3.960 0.001 0.000 0.215 1230 G HA3 -0.188 3.773 3.960 0.001 0.000 0.215 1230 G C 1.454 176.305 174.900 -0.082 0.000 1.165 1230 G CA 0.331 45.404 45.100 -0.044 0.000 0.784 1230 G HN 0.172 nan 8.290 nan 0.000 0.535 1231 L N -0.099 121.017 121.223 -0.178 0.000 2.265 1231 L HA 0.010 4.350 4.340 0.001 0.000 0.215 1231 L C 2.933 179.772 176.870 -0.052 0.000 1.117 1231 L CA 0.437 55.199 54.840 -0.131 0.000 0.782 1231 L CB -0.238 41.685 42.059 -0.226 0.000 0.914 1231 L HN 0.105 nan 8.230 nan 0.000 0.441 1232 R N 0.298 120.768 120.500 -0.051 0.000 2.127 1232 R HA -0.052 4.289 4.340 0.001 0.000 0.217 1232 R C 1.879 178.151 176.300 -0.047 0.000 1.074 1232 R CA 0.942 57.014 56.100 -0.045 0.000 0.991 1232 R CB 0.093 30.369 30.300 -0.040 0.000 0.895 1232 R HN 0.438 nan 8.270 nan 0.000 0.450 1233 E N 0.236 120.409 120.200 -0.045 0.000 2.051 1233 E HA -0.105 4.245 4.350 0.001 0.000 0.189 1233 E C 1.966 178.530 176.600 -0.059 0.000 0.979 1233 E CA 0.971 57.344 56.400 -0.045 0.000 0.803 1233 E CB -0.135 29.544 29.700 -0.034 0.000 0.761 1233 E HN 0.233 nan 8.360 nan 0.000 0.451 1234 I N 1.365 121.892 120.570 -0.071 0.000 2.361 1234 I HA -0.232 3.939 4.170 0.001 0.000 0.251 1234 I C 2.190 178.195 176.117 -0.188 0.000 1.133 1234 I CA 1.607 62.837 61.300 -0.117 0.000 1.413 1234 I CB -0.155 37.749 38.000 -0.160 0.000 1.073 1234 I HN 0.148 nan 8.210 nan 0.000 0.424 1235 T N 0.183 114.653 114.554 -0.140 0.000 2.737 1235 T HA -0.114 4.237 4.350 0.001 0.000 0.265 1235 T C 1.951 176.638 174.700 -0.021 0.000 1.038 1235 T CA 1.348 63.398 62.100 -0.082 0.000 1.144 1235 T CB -0.871 68.007 68.868 0.016 0.000 0.866 1235 T HN 0.361 nan 8.240 nan 0.000 0.434 1236 L N 1.016 122.221 121.223 -0.031 0.000 2.012 1236 L HA -0.149 4.192 4.340 0.001 0.000 0.210 1236 L C 3.033 179.877 176.870 -0.043 0.000 1.073 1236 L CA 1.808 56.633 54.840 -0.026 0.000 0.748 1236 L CB -0.696 41.340 42.059 -0.038 0.000 0.891 1236 L HN 0.350 nan 8.230 nan 0.000 0.431 1237 E N -0.590 119.559 120.200 -0.085 0.000 2.114 1237 E HA -0.262 4.089 4.350 0.001 0.000 0.199 1237 E C 1.315 177.739 176.600 -0.295 0.000 1.008 1237 E CA 1.709 57.989 56.400 -0.201 0.000 0.810 1237 E CB -0.162 29.367 29.700 -0.284 0.000 0.739 1237 E HN 0.648 nan 8.360 nan 0.000 0.456 1238 H N -0.475 118.500 119.070 -0.160 0.000 2.505 1238 H HA 0.174 4.731 4.556 0.001 0.000 0.289 1238 H C -0.739 174.601 175.328 0.019 0.000 1.052 1238 H CA -0.132 55.876 56.048 -0.067 0.000 1.156 1238 H CB 0.171 29.882 29.762 -0.085 0.000 1.507 1238 H HN 0.032 nan 8.280 nan 0.000 0.548 1239 D N 0.535 120.987 120.400 0.087 0.000 2.740 1239 D HA -0.146 4.494 4.640 0.001 0.000 0.231 1239 D C -0.487 175.900 176.300 0.146 0.000 1.194 1239 D CA 0.833 54.889 54.000 0.093 0.000 0.673 1239 D CB -0.618 40.225 40.800 0.071 0.000 0.995 1239 D HN 0.628 nan 8.370 nan 0.000 0.411 1240 A N 0.447 123.361 122.820 0.158 0.000 2.423 1240 A HA 0.801 5.121 4.320 0.001 0.000 0.304 1240 A C -0.205 177.458 177.584 0.131 0.000 1.104 1240 A CA -0.780 51.372 52.037 0.191 0.000 0.757 1240 A CB 1.226 20.421 19.000 0.325 0.000 1.313 1240 A HN 0.213 nan 8.150 nan 0.000 0.423 1241 L N 0.730 122.021 121.223 0.114 0.000 2.418 1241 L HA 0.452 4.793 4.340 0.001 0.000 0.265 1241 L C -0.515 176.379 176.870 0.040 0.000 1.143 1241 L CA -0.624 54.242 54.840 0.044 0.000 0.809 1241 L CB 0.944 43.013 42.059 0.017 0.000 1.124 1241 L HN 0.625 nan 8.230 nan 0.000 0.456 1242 L N 3.173 124.381 121.223 -0.024 0.000 2.319 1242 L HA 0.544 4.884 4.340 0.001 0.000 0.281 1242 L C -0.702 176.119 176.870 -0.081 0.000 1.005 1242 L CA -0.192 54.631 54.840 -0.027 0.000 0.828 1242 L CB 1.641 43.641 42.059 -0.099 0.000 1.227 1242 L HN 0.229 nan 8.230 nan 0.000 0.415 1243 V N 5.605 125.543 119.914 0.040 0.000 2.448 1243 V HA 0.478 4.598 4.120 0.001 0.000 0.295 1243 V C -0.680 175.584 176.094 0.284 0.000 1.025 1243 V CA -0.476 61.857 62.300 0.056 0.000 0.859 1243 V CB 1.463 33.306 31.823 0.032 0.000 0.988 1243 V HN 0.459 nan 8.190 nan 0.000 0.431 1244 F N 2.765 122.690 119.950 -0.042 0.000 2.388 1244 F HA 0.383 4.910 4.527 0.001 0.000 0.358 1244 F C 0.419 176.182 175.800 -0.061 0.000 1.122 1244 F CA -1.681 56.295 58.000 -0.040 0.000 1.056 1244 F CB 1.283 40.257 39.000 -0.043 0.000 1.155 1244 F HN 0.507 nan 8.300 nan 0.000 0.461 1245 D N 3.865 124.307 120.400 0.069 0.000 2.422 1245 D HA 0.060 4.701 4.640 0.001 0.000 0.227 1245 D C 0.215 176.528 176.300 0.022 0.000 1.190 1245 D CA 0.173 54.163 54.000 -0.017 0.000 0.905 1245 D CB 0.354 41.074 40.800 -0.133 0.000 1.034 1245 D HN 0.531 nan 8.370 nan 0.000 0.507 1246 E N 2.959 123.184 120.200 0.042 0.000 2.411 1246 E HA 0.052 4.403 4.350 0.001 0.000 0.204 1246 E C 1.493 178.128 176.600 0.059 0.000 1.059 1246 E CA -0.163 56.257 56.400 0.034 0.000 1.112 1246 E CB 0.954 30.664 29.700 0.016 0.000 1.168 1246 E HN 0.332 nan 8.360 nan 0.000 0.445 1247 V N 0.821 120.771 119.914 0.061 0.000 2.295 1247 V HA -0.281 3.840 4.120 0.001 0.000 0.246 1247 V C 2.290 178.437 176.094 0.088 0.000 1.049 1247 V CA 1.855 64.200 62.300 0.075 0.000 1.024 1247 V CB -0.300 31.557 31.823 0.056 0.000 0.648 1247 V HN 0.393 nan 8.190 nan 0.000 0.447 1248 M N 0.183 119.844 119.600 0.102 0.000 2.248 1248 M HA -0.108 4.373 4.480 0.001 0.000 0.265 1248 M C 2.326 178.700 176.300 0.124 0.000 1.079 1248 M CA 2.028 57.401 55.300 0.122 0.000 1.150 1248 M CB -0.114 32.614 32.600 0.213 0.000 1.366 1248 M HN 0.570 nan 8.290 nan 0.000 0.433 1249 T N -1.691 112.929 114.554 0.110 0.000 2.942 1249 T HA 0.116 4.467 4.350 0.001 0.000 0.265 1249 T C 1.229 175.966 174.700 0.061 0.000 1.062 1249 T CA 0.454 62.608 62.100 0.090 0.000 1.139 1249 T CB -1.340 67.537 68.868 0.015 0.000 0.883 1249 T HN 0.450 nan 8.240 nan 0.000 0.468 1250 G N 0.700 109.529 108.800 0.049 0.000 2.178 1250 G HA2 0.281 4.241 3.960 0.001 0.000 0.244 1250 G HA3 0.281 4.241 3.960 0.001 0.000 0.244 1250 G C -0.066 174.937 174.900 0.172 0.000 1.213 1250 G CA -0.408 44.696 45.100 0.007 0.000 0.912 1250 G HN 0.452 nan 8.290 nan 0.000 0.474 1251 F N -0.657 119.296 119.950 0.004 0.000 3.006 1251 F HA -0.259 4.268 4.527 0.001 0.000 0.289 1251 F C 1.848 177.789 175.800 0.234 0.000 0.772 1251 F CA 1.527 59.571 58.000 0.073 0.000 1.162 1251 F CB -1.065 37.940 39.000 0.007 0.000 1.382 1251 F HN 0.618 nan 8.300 nan 0.000 0.406 1252 R N -0.111 120.582 120.500 0.323 0.000 2.302 1252 R HA 0.246 4.587 4.340 0.001 0.000 0.187 1252 R C 1.899 178.408 176.300 0.348 0.000 0.904 1252 R CA 0.199 56.497 56.100 0.329 0.000 1.105 1252 R CB 0.126 30.554 30.300 0.213 0.000 1.239 1252 R HN 0.203 nan 8.270 nan 0.000 0.620 1253 I N 1.547 122.238 120.570 0.202 0.000 2.676 1253 I HA 0.130 4.300 4.170 0.001 0.000 0.259 1253 I C 0.685 176.844 176.117 0.070 0.000 1.194 1253 I CA 0.970 62.350 61.300 0.134 0.000 1.473 1253 I CB -0.362 37.634 38.000 -0.006 0.000 1.096 1253 I HN 0.326 nan 8.210 nan 0.000 0.443 1254 A N -1.949 120.853 122.820 -0.030 0.000 2.549 1254 A HA 0.239 4.560 4.320 0.001 0.000 0.291 1254 A C 0.072 177.388 177.584 -0.447 0.000 1.034 1254 A CA -0.578 51.197 52.037 -0.437 0.000 0.655 1254 A CB -0.250 18.585 19.000 -0.276 0.000 1.299 1254 A HN 0.030 nan 8.150 nan 0.000 0.427 1255 Y N 0.987 120.785 120.300 -0.837 0.000 2.128 1255 Y HA -0.021 4.530 4.550 0.001 0.000 0.284 1255 Y C 2.079 177.765 175.900 -0.357 0.000 1.154 1255 Y CA 3.293 61.228 58.100 -0.275 0.000 1.149 1255 Y CB -0.057 38.322 38.460 -0.134 0.000 0.976 1255 Y HN 0.783 nan 8.280 nan 0.000 0.505 1256 G N -0.666 107.987 108.800 -0.244 0.000 3.233 1256 G HA2 0.393 4.354 3.960 0.001 0.000 0.227 1256 G HA3 0.393 4.354 3.960 0.001 0.000 0.227 1256 G C 0.650 175.361 174.900 -0.315 0.000 1.175 1256 G CA 0.352 45.266 45.100 -0.309 0.000 0.781 1256 G HN 0.843 nan 8.290 nan 0.000 0.542 1257 G N -0.782 107.819 108.800 -0.330 0.000 2.750 1257 G HA2 -0.224 3.736 3.960 0.001 0.000 0.228 1257 G HA3 -0.224 3.736 3.960 0.001 0.000 0.228 1257 G C 0.970 175.750 174.900 -0.201 0.000 1.367 1257 G CA -0.247 44.711 45.100 -0.237 0.000 0.871 1257 G HN 0.576 nan 8.290 nan 0.000 0.560 1258 V N 1.259 121.043 119.914 -0.216 0.000 2.407 1258 V HA -0.257 3.864 4.120 0.001 0.000 0.248 1258 V C 3.024 179.007 176.094 -0.185 0.000 1.055 1258 V CA 3.222 65.304 62.300 -0.364 0.000 1.049 1258 V CB -0.879 30.687 31.823 -0.429 0.000 0.662 1258 V HN 0.842 nan 8.190 nan 0.000 0.455 1259 Q N 0.722 120.540 119.800 0.030 0.000 2.234 1259 Q HA -0.284 4.057 4.340 0.001 0.000 0.206 1259 Q C 2.090 178.128 176.000 0.063 0.000 0.980 1259 Q CA 2.109 58.012 55.803 0.166 0.000 0.869 1259 Q CB -0.422 28.429 28.738 0.188 0.000 0.912 1259 Q HN 0.820 nan 8.270 nan 0.000 0.436 1260 E N 1.482 121.675 120.200 -0.012 0.000 2.086 1260 E HA -0.136 4.215 4.350 0.001 0.000 0.190 1260 E C 1.982 178.601 176.600 0.031 0.000 0.975 1260 E CA 0.566 56.963 56.400 -0.006 0.000 0.813 1260 E CB 0.116 29.786 29.700 -0.049 0.000 0.768 1260 E HN 0.287 nan 8.360 nan 0.000 0.457 1261 K N -0.102 120.296 120.400 -0.002 0.000 2.025 1261 K HA -0.052 4.268 4.320 0.001 0.000 0.207 1261 K C 1.324 178.186 176.600 0.437 0.000 1.049 1261 K CA 1.400 57.756 56.287 0.116 0.000 0.933 1261 K CB -0.083 32.394 32.500 -0.039 0.000 0.714 1261 K HN 0.190 nan 8.250 nan 0.000 0.438 1262 F N 0.288 120.259 119.950 0.036 0.000 2.645 1262 F HA 0.213 4.740 4.527 0.001 0.000 0.300 1262 F C 0.948 176.776 175.800 0.048 0.000 1.115 1262 F CA -0.296 57.730 58.000 0.043 0.000 1.355 1262 F CB 0.575 39.601 39.000 0.045 0.000 1.026 1262 F HN 0.233 nan 8.300 nan 0.000 0.536 1263 G N 2.022 110.952 108.800 0.216 0.000 2.390 1263 G HA2 -0.289 3.671 3.960 0.001 0.000 0.299 1263 G HA3 -0.289 3.671 3.960 0.001 0.000 0.299 1263 G C -0.390 174.578 174.900 0.112 0.000 1.002 1263 G CA 0.064 45.239 45.100 0.126 0.000 0.979 1263 G HN 0.218 nan 8.290 nan 0.000 0.513 1264 V N 0.402 120.405 119.914 0.150 0.000 2.407 1264 V HA 0.524 4.645 4.120 0.001 0.000 0.291 1264 V C 0.383 176.496 176.094 0.032 0.000 1.018 1264 V CA -0.464 61.909 62.300 0.122 0.000 0.842 1264 V CB 1.974 33.940 31.823 0.238 0.000 0.996 1264 V HN 0.323 nan 8.190 nan 0.000 0.426 1265 T N 8.148 122.656 114.554 -0.076 0.000 2.744 1265 T HA 0.451 4.802 4.350 0.001 0.000 0.291 1265 T C -2.266 172.238 174.700 -0.327 0.000 0.957 1265 T CA -0.860 61.134 62.100 -0.176 0.000 1.002 1265 T CB 1.681 70.482 68.868 -0.111 0.000 0.919 1265 T HN 0.527 nan 8.240 nan 0.000 0.468 1266 P HA 0.419 nan 4.420 nan 0.000 0.287 1266 P C -0.008 177.093 177.300 -0.332 0.000 1.296 1266 P CA -0.545 62.192 63.100 -0.604 0.000 0.811 1266 P CB 1.564 32.603 31.700 -1.102 0.000 1.211 1267 D N -0.920 119.322 120.400 -0.263 0.000 2.162 1267 D HA 0.070 4.711 4.640 0.001 0.000 0.205 1267 D C 0.357 176.548 176.300 -0.180 0.000 0.964 1267 D CA 1.359 55.240 54.000 -0.198 0.000 0.847 1267 D CB 0.162 40.856 40.800 -0.177 0.000 0.988 1267 D HN 0.100 nan 8.370 nan 0.000 0.480 1268 L N -0.399 120.728 121.223 -0.160 0.000 2.371 1268 L HA 0.422 4.763 4.340 0.001 0.000 0.262 1268 L C -0.210 176.616 176.870 -0.073 0.000 1.006 1268 L CA -0.594 54.188 54.840 -0.098 0.000 0.818 1268 L CB 2.182 44.209 42.059 -0.053 0.000 1.354 1268 L HN -0.205 nan 8.230 nan 0.000 0.415 1269 T N -0.517 114.022 114.554 -0.025 0.000 3.041 1269 T HA 0.663 5.014 4.350 0.001 0.000 0.321 1269 T C -0.688 174.038 174.700 0.043 0.000 1.184 1269 T CA -0.244 61.870 62.100 0.022 0.000 1.050 1269 T CB 1.183 70.063 68.868 0.021 0.000 1.159 1269 T HN 0.778 nan 8.240 nan 0.000 0.469 1270 T N 3.168 117.752 114.554 0.050 0.000 2.907 1270 T HA 0.811 5.161 4.350 0.001 0.000 0.284 1270 T C -0.151 174.587 174.700 0.064 0.000 1.004 1270 T CA -0.747 61.388 62.100 0.057 0.000 1.063 1270 T CB 0.865 69.737 68.868 0.008 0.000 0.992 1270 T HN 0.622 nan 8.240 nan 0.000 0.483 1271 L N 0.835 122.112 121.223 0.090 0.000 2.341 1271 L HA 0.903 5.244 4.340 0.001 0.000 0.254 1271 L C 0.612 177.555 176.870 0.121 0.000 1.040 1271 L CA -0.983 53.931 54.840 0.123 0.000 0.837 1271 L CB 2.213 44.382 42.059 0.185 0.000 1.425 1271 L HN 1.089 nan 8.230 nan 0.000 0.414 1272 G N -0.946 107.931 108.800 0.129 0.000 2.392 1272 G HA2 0.252 4.213 3.960 0.001 0.000 0.260 1272 G HA3 0.252 4.213 3.960 0.001 0.000 0.260 1272 G C -0.668 174.277 174.900 0.076 0.000 1.226 1272 G CA -0.001 45.156 45.100 0.096 0.000 0.913 1272 G HN 0.526 nan 8.290 nan 0.000 0.483 1273 K N -1.025 119.407 120.400 0.054 0.000 6.999 1273 K HA -0.347 3.974 4.320 0.001 0.000 0.344 1273 K C 2.134 178.737 176.600 0.005 0.000 0.603 1273 K CA 2.489 58.796 56.287 0.033 0.000 1.181 1273 K CB -1.306 31.208 32.500 0.024 0.000 0.790 1273 K HN 0.386 nan 8.250 nan 0.000 0.953 1274 I N 1.452 122.024 120.570 0.002 0.000 2.248 1274 I HA -0.258 3.913 4.170 0.001 0.000 0.248 1274 I C 2.249 178.290 176.117 -0.125 0.000 1.107 1274 I CA 1.900 63.174 61.300 -0.042 0.000 1.373 1274 I CB -0.469 37.535 38.000 0.005 0.000 1.055 1274 I HN 0.398 nan 8.210 nan 0.000 0.418 1275 I N -1.771 118.717 120.570 -0.137 0.000 3.241 1275 I HA 0.021 4.192 4.170 0.001 0.000 0.280 1275 I C 1.889 177.927 176.117 -0.132 0.000 1.320 1275 I CA 1.077 62.251 61.300 -0.209 0.000 1.413 1275 I CB -0.771 37.152 38.000 -0.127 0.000 1.060 1275 I HN 0.080 nan 8.210 nan 0.000 0.500 1276 G N 0.625 109.376 108.800 -0.082 0.000 2.921 1276 G HA2 0.280 4.241 3.960 0.001 0.000 0.213 1276 G HA3 0.280 4.241 3.960 0.001 0.000 0.213 1276 G C 1.382 176.242 174.900 -0.068 0.000 1.143 1276 G CA 0.298 45.356 45.100 -0.069 0.000 0.764 1276 G HN 0.625 nan 8.290 nan 0.000 0.542 1277 G N -0.423 108.335 108.800 -0.070 0.000 2.200 1277 G HA2 0.161 4.121 3.960 0.001 0.000 0.267 1277 G HA3 0.161 4.121 3.960 0.001 0.000 0.267 1277 G C 1.147 176.040 174.900 -0.011 0.000 0.993 1277 G CA 1.319 46.387 45.100 -0.054 0.000 0.701 1277 G HN 1.867 nan 8.290 nan 0.000 0.524 1278 G N -2.898 105.904 108.800 0.003 0.000 2.183 1278 G HA2 0.130 4.091 3.960 0.001 0.000 0.168 1278 G HA3 0.130 4.091 3.960 0.001 0.000 0.168 1278 G C -0.064 174.850 174.900 0.022 0.000 1.008 1278 G CA 0.234 45.355 45.100 0.034 0.000 0.677 1278 G HN 1.108 nan 8.290 nan 0.000 0.498 1279 L N 0.402 121.625 121.223 -0.001 0.000 2.301 1279 L HA 0.715 5.055 4.340 0.001 0.000 0.264 1279 L C -2.267 174.600 176.870 -0.005 0.000 1.016 1279 L CA -2.362 52.472 54.840 -0.009 0.000 0.821 1279 L CB 1.438 43.476 42.059 -0.035 0.000 1.346 1279 L HN -0.181 nan 8.230 nan 0.000 0.429 1280 P HA 0.245 nan 4.420 nan 0.000 0.269 1280 P C -1.070 176.230 177.300 0.000 0.000 1.252 1280 P CA 0.178 63.284 63.100 0.009 0.000 0.780 1280 P CB 0.713 32.421 31.700 0.012 0.000 0.829 1281 V N 3.143 123.065 119.914 0.013 0.000 3.147 1281 V HA 0.924 5.045 4.120 0.001 0.000 0.306 1281 V C -0.318 175.816 176.094 0.067 0.000 1.209 1281 V CA -0.375 61.938 62.300 0.022 0.000 1.023 1281 V CB 2.521 34.334 31.823 -0.016 0.000 1.059 1281 V HN 0.655 nan 8.190 nan 0.000 0.435 1282 G N 2.018 110.891 108.800 0.122 0.000 2.649 1282 G HA2 0.990 4.951 3.960 0.001 0.000 0.290 1282 G HA3 0.990 4.951 3.960 0.001 0.000 0.290 1282 G C -1.287 173.748 174.900 0.225 0.000 1.426 1282 G CA -0.113 45.074 45.100 0.144 0.000 0.794 1282 G HN 1.755 nan 8.290 nan 0.000 0.483 1283 A N -0.649 122.280 122.820 0.182 0.000 2.583 1283 A HA 0.728 5.049 4.320 0.001 0.000 0.298 1283 A C -1.644 176.017 177.584 0.128 0.000 1.055 1283 A CA -0.615 51.487 52.037 0.108 0.000 0.714 1283 A CB 0.733 19.763 19.000 0.051 0.000 1.277 1283 A HN 2.182 nan 8.150 nan 0.000 0.406 1284 Y N 0.051 120.295 120.300 -0.093 0.000 2.386 1284 Y HA 0.873 5.423 4.550 0.001 0.000 0.334 1284 Y C 0.171 175.997 175.900 -0.123 0.000 1.002 1284 Y CA -0.288 57.761 58.100 -0.086 0.000 1.068 1284 Y CB 1.443 39.863 38.460 -0.067 0.000 1.203 1284 Y HN 1.361 nan 8.280 nan 0.000 0.443 1285 G N 0.558 109.308 108.800 -0.084 0.000 2.782 1285 G HA2 0.758 4.719 3.960 0.001 0.000 0.304 1285 G HA3 0.758 4.719 3.960 0.001 0.000 0.304 1285 G C -0.492 174.348 174.900 -0.101 0.000 1.315 1285 G CA -0.504 44.493 45.100 -0.171 0.000 0.791 1285 G HN 1.656 nan 8.290 nan 0.000 0.519 1286 G N -0.885 107.843 108.800 -0.121 0.000 2.240 1286 G HA2 0.219 4.179 3.960 0.001 0.000 0.199 1286 G HA3 0.219 4.179 3.960 0.001 0.000 0.199 1286 G C -0.599 174.231 174.900 -0.116 0.000 1.342 1286 G CA -0.117 44.916 45.100 -0.113 0.000 1.145 1286 G HN 0.763 nan 8.290 nan 0.000 0.477 1287 K N 1.409 121.731 120.400 -0.130 0.000 2.366 1287 K HA 0.048 4.369 4.320 0.001 0.000 0.272 1287 K C 1.916 178.445 176.600 -0.117 0.000 1.151 1287 K CA 0.682 56.892 56.287 -0.129 0.000 1.173 1287 K CB 0.153 32.553 32.500 -0.167 0.000 0.853 1287 K HN 0.611 nan 8.250 nan 0.000 0.473 1288 R N 2.962 123.411 120.500 -0.084 0.000 2.191 1288 R HA -0.269 4.072 4.340 0.001 0.000 0.248 1288 R C 1.306 177.578 176.300 -0.046 0.000 1.127 1288 R CA 2.512 58.575 56.100 -0.062 0.000 0.943 1288 R CB -0.155 30.120 30.300 -0.042 0.000 0.891 1288 R HN 0.796 nan 8.270 nan 0.000 0.439 1289 E N 0.159 120.338 120.200 -0.034 0.000 2.463 1289 E HA -0.174 4.177 4.350 0.001 0.000 0.201 1289 E C 1.848 178.464 176.600 0.027 0.000 1.045 1289 E CA 1.174 57.585 56.400 0.018 0.000 0.872 1289 E CB -0.186 29.545 29.700 0.053 0.000 0.797 1289 E HN 0.598 nan 8.360 nan 0.000 0.538 1290 I N -0.177 120.322 120.570 -0.118 0.000 2.927 1290 I HA -0.041 4.130 4.170 0.001 0.000 0.268 1290 I C 2.272 178.362 176.117 -0.046 0.000 1.153 1290 I CA 0.133 61.303 61.300 -0.217 0.000 1.459 1290 I CB -0.166 37.546 38.000 -0.479 0.000 1.149 1290 I HN -0.046 nan 8.210 nan 0.000 0.443 1291 M N 0.515 120.081 119.600 -0.057 0.000 2.296 1291 M HA -0.100 4.381 4.480 0.001 0.000 0.265 1291 M C 2.025 178.321 176.300 -0.007 0.000 1.064 1291 M CA 1.276 56.552 55.300 -0.040 0.000 1.109 1291 M CB -0.952 31.591 32.600 -0.096 0.000 1.396 1291 M HN 0.219 nan 8.290 nan 0.000 0.430 1292 Q N 0.232 120.038 119.800 0.009 0.000 2.443 1292 Q HA -0.059 4.282 4.340 0.001 0.000 0.213 1292 Q C 1.803 177.833 176.000 0.051 0.000 0.982 1292 Q CA 0.959 56.777 55.803 0.025 0.000 0.894 1292 Q CB -0.577 28.180 28.738 0.033 0.000 0.947 1292 Q HN 0.391 nan 8.270 nan 0.000 0.480 1293 L N -0.752 120.517 121.223 0.077 0.000 2.554 1293 L HA 0.007 4.348 4.340 0.001 0.000 0.226 1293 L C 0.410 177.333 176.870 0.088 0.000 1.137 1293 L CA 0.357 55.253 54.840 0.093 0.000 0.863 1293 L CB 0.013 42.153 42.059 0.134 0.000 0.985 1293 L HN -0.160 nan 8.230 nan 0.000 0.451 1294 V N 0.801 120.759 119.914 0.075 0.000 2.488 1294 V HA 0.408 4.529 4.120 0.001 0.000 0.277 1294 V C 0.918 177.052 176.094 0.066 0.000 1.046 1294 V CA -0.997 61.351 62.300 0.080 0.000 0.986 1294 V CB 0.536 32.389 31.823 0.050 0.000 0.989 1294 V HN 0.255 nan 8.190 nan 0.000 0.475 1295 A N 7.171 130.047 122.820 0.094 0.000 2.531 1295 A HA 0.355 4.675 4.320 0.001 0.000 0.236 1295 A C -1.318 176.312 177.584 0.076 0.000 1.062 1295 A CA -0.610 51.495 52.037 0.112 0.000 0.760 1295 A CB -0.210 18.921 19.000 0.217 0.000 0.995 1295 A HN 0.797 nan 8.150 nan 0.000 0.501 1296 P HA 0.245 nan 4.420 nan 0.000 0.256 1296 P C 0.828 178.160 177.300 0.052 0.000 1.384 1296 P CA 0.682 63.827 63.100 0.074 0.000 0.879 1296 P CB 0.572 32.312 31.700 0.066 0.000 1.403 1297 A N -0.339 122.507 122.820 0.043 0.000 1.878 1297 A HA 0.400 4.721 4.320 0.001 0.000 0.213 1297 A C 1.388 178.997 177.584 0.042 0.000 1.192 1297 A CA 1.347 53.404 52.037 0.033 0.000 0.619 1297 A CB -0.845 18.167 19.000 0.020 0.000 0.837 1297 A HN 0.329 nan 8.150 nan 0.000 0.446 1298 G N -2.147 106.685 108.800 0.054 0.000 3.108 1298 G HA2 0.493 4.453 3.960 0.001 0.000 0.268 1298 G HA3 0.493 4.453 3.960 0.001 0.000 0.268 1298 G C -1.980 172.964 174.900 0.072 0.000 1.361 1298 G CA -0.276 44.860 45.100 0.060 0.000 1.047 1298 G HN -0.008 nan 8.290 nan 0.000 0.540 1299 P HA 0.020 nan 4.420 nan 0.000 0.227 1299 P C 0.942 178.303 177.300 0.101 0.000 1.161 1299 P CA 0.399 63.542 63.100 0.071 0.000 0.788 1299 P CB 0.334 32.063 31.700 0.048 0.000 0.822 1300 M N 0.475 120.138 119.600 0.105 0.000 2.246 1300 M HA 0.082 4.563 4.480 0.001 0.000 0.350 1300 M C -0.772 175.631 176.300 0.172 0.000 1.406 1300 M CA -0.362 55.010 55.300 0.120 0.000 1.089 1300 M CB 0.092 32.750 32.600 0.098 0.000 1.782 1300 M HN -0.173 nan 8.290 nan 0.000 0.457 1301 Y N 5.345 125.667 120.300 0.036 0.000 2.313 1301 Y HA 0.391 4.942 4.550 0.002 0.000 0.332 1301 Y C -0.578 175.349 175.900 0.045 0.000 1.071 1301 Y CA -0.059 58.065 58.100 0.039 0.000 1.169 1301 Y CB 0.694 39.170 38.460 0.027 0.000 1.192 1301 Y HN 0.650 nan 8.280 nan 0.000 0.487 1302 Q N 4.428 123.824 119.800 -0.673 0.000 2.443 1302 Q HA 0.668 5.009 4.340 0.001 0.000 0.258 1302 Q C -2.344 173.338 176.000 -0.531 0.000 0.967 1302 Q CA -0.477 55.030 55.803 -0.493 0.000 0.951 1302 Q CB 1.708 30.381 28.738 -0.109 0.000 1.459 1302 Q HN 0.928 nan 8.270 nan 0.000 0.415 1303 A N 1.508 124.074 122.820 -0.423 0.000 2.605 1303 A HA 0.916 5.237 4.320 0.001 0.000 0.294 1303 A C -1.202 176.332 177.584 -0.084 0.000 1.062 1303 A CA 0.041 51.949 52.037 -0.215 0.000 0.682 1303 A CB 1.854 20.728 19.000 -0.209 0.000 1.278 1303 A HN 0.772 nan 8.150 nan 0.000 0.410 1304 G N -0.368 108.423 108.800 -0.016 0.000 2.701 1304 G HA2 0.507 4.468 3.960 0.001 0.000 0.300 1304 G HA3 0.507 4.468 3.960 0.001 0.000 0.300 1304 G C 0.277 175.191 174.900 0.024 0.000 1.410 1304 G CA 0.428 45.534 45.100 0.010 0.000 1.014 1304 G HN 0.694 nan 8.290 nan 0.000 0.509 1305 T N 2.198 116.768 114.554 0.027 0.000 2.746 1305 T HA -0.089 4.261 4.350 0.001 0.000 0.267 1305 T C 2.128 176.839 174.700 0.018 0.000 1.039 1305 T CA 0.764 62.881 62.100 0.029 0.000 1.142 1305 T CB -0.065 68.820 68.868 0.030 0.000 0.866 1305 T HN 0.216 nan 8.240 nan 0.000 0.444 1306 L N 1.201 122.430 121.223 0.009 0.000 2.446 1306 L HA 0.210 4.551 4.340 0.001 0.000 0.219 1306 L C 0.873 177.734 176.870 -0.016 0.000 1.116 1306 L CA 0.479 55.312 54.840 -0.012 0.000 0.844 1306 L CB -1.042 41.008 42.059 -0.015 0.000 0.970 1306 L HN 0.155 nan 8.230 nan 0.000 0.457 1307 S N 0.742 116.451 115.700 0.014 0.000 2.784 1307 S HA 0.183 4.654 4.470 0.001 0.000 0.322 1307 S C 1.298 175.911 174.600 0.020 0.000 1.234 1307 S CA 0.817 59.040 58.200 0.039 0.000 1.064 1307 S CB 0.015 63.258 63.200 0.071 0.000 0.787 1307 S HN 0.639 nan 8.310 nan 0.000 0.506 1308 G N 2.805 111.592 108.800 -0.023 0.000 2.149 1308 G HA2 -0.265 3.696 3.960 0.001 0.000 0.235 1308 G HA3 -0.265 3.696 3.960 0.001 0.000 0.235 1308 G C -0.034 174.771 174.900 -0.158 0.000 1.018 1308 G CA -0.059 44.984 45.100 -0.096 0.000 0.728 1308 G HN 0.900 nan 8.290 nan 0.000 0.508 1309 N N 0.572 119.166 118.700 -0.177 0.000 2.518 1309 N HA 0.256 4.996 4.740 0.001 0.000 0.266 1309 N C -0.417 174.917 175.510 -0.293 0.000 1.196 1309 N CA -0.968 51.936 53.050 -0.244 0.000 0.947 1309 N CB 1.782 40.155 38.487 -0.191 0.000 1.098 1309 N HN 0.156 nan 8.380 nan 0.000 0.450 1310 P HA -0.173 nan 4.420 nan 0.000 0.217 1310 P C 1.686 178.855 177.300 -0.218 0.000 1.148 1310 P CA 1.107 64.008 63.100 -0.331 0.000 0.828 1310 P CB 0.399 31.797 31.700 -0.503 0.000 0.783 1311 L N -0.507 120.594 121.223 -0.203 0.000 2.005 1311 L HA -0.127 4.214 4.340 0.001 0.000 0.207 1311 L C 2.852 179.642 176.870 -0.132 0.000 1.072 1311 L CA 1.741 56.500 54.840 -0.134 0.000 0.744 1311 L CB -1.185 40.809 42.059 -0.108 0.000 0.895 1311 L HN -0.047 nan 8.230 nan 0.000 0.433 1312 A N -0.474 122.256 122.820 -0.151 0.000 1.902 1312 A HA -0.227 4.094 4.320 0.001 0.000 0.217 1312 A C 2.236 179.696 177.584 -0.207 0.000 1.181 1312 A CA 1.562 53.505 52.037 -0.156 0.000 0.623 1312 A CB -0.400 18.508 19.000 -0.154 0.000 0.818 1312 A HN 0.319 nan 8.150 nan 0.000 0.443 1313 M N -0.343 119.103 119.600 -0.255 0.000 2.279 1313 M HA -0.090 4.390 4.480 0.001 0.000 0.264 1313 M C 2.063 178.246 176.300 -0.194 0.000 1.062 1313 M CA 1.793 56.916 55.300 -0.295 0.000 1.099 1313 M CB -1.854 30.570 32.600 -0.294 0.000 1.394 1313 M HN 0.431 nan 8.290 nan 0.000 0.426 1314 T N 0.966 115.431 114.554 -0.148 0.000 2.809 1314 T HA 0.062 4.412 4.350 0.001 0.000 0.260 1314 T C 1.956 176.597 174.700 -0.099 0.000 1.039 1314 T CA 1.407 63.446 62.100 -0.102 0.000 1.141 1314 T CB -0.208 68.613 68.868 -0.078 0.000 0.869 1314 T HN 0.454 nan 8.240 nan 0.000 0.437 1315 A N 1.450 124.209 122.820 -0.102 0.000 1.908 1315 A HA 0.033 4.353 4.320 0.001 0.000 0.218 1315 A C 2.565 180.079 177.584 -0.116 0.000 1.181 1315 A CA 2.065 54.047 52.037 -0.092 0.000 0.627 1315 A CB -1.398 17.555 19.000 -0.078 0.000 0.818 1315 A HN 0.513 nan 8.150 nan 0.000 0.445 1316 G N -0.229 108.484 108.800 -0.145 0.000 2.404 1316 G HA2 -0.159 3.801 3.960 0.001 0.000 0.215 1316 G HA3 -0.159 3.801 3.960 0.001 0.000 0.215 1316 G C 1.552 176.356 174.900 -0.161 0.000 1.174 1316 G CA 1.032 46.026 45.100 -0.176 0.000 0.780 1316 G HN 0.466 nan 8.290 nan 0.000 0.537 1317 I N 0.457 120.951 120.570 -0.127 0.000 2.099 1317 I HA -0.200 3.971 4.170 0.001 0.000 0.239 1317 I C 2.722 178.796 176.117 -0.071 0.000 1.066 1317 I CA 1.737 62.989 61.300 -0.082 0.000 1.324 1317 I CB -0.143 37.820 38.000 -0.061 0.000 1.037 1317 I HN 0.129 nan 8.210 nan 0.000 0.401 1318 K N 0.692 121.044 120.400 -0.080 0.000 2.103 1318 K HA -0.165 4.155 4.320 0.001 0.000 0.207 1318 K C 1.942 178.471 176.600 -0.117 0.000 1.048 1318 K CA 1.998 58.233 56.287 -0.087 0.000 0.930 1318 K CB -0.406 32.040 32.500 -0.090 0.000 0.716 1318 K HN 0.233 nan 8.250 nan 0.000 0.444 1319 T N 0.893 115.369 114.554 -0.131 0.000 2.737 1319 T HA -0.094 4.256 4.350 0.001 0.000 0.265 1319 T C 1.522 176.163 174.700 -0.098 0.000 1.038 1319 T CA 1.335 63.350 62.100 -0.142 0.000 1.144 1319 T CB -0.205 68.573 68.868 -0.149 0.000 0.866 1319 T HN 0.035 nan 8.240 nan 0.000 0.434 1320 L N 1.220 122.382 121.223 -0.101 0.000 2.083 1320 L HA -0.035 4.306 4.340 0.001 0.000 0.209 1320 L C 2.483 179.437 176.870 0.139 0.000 1.083 1320 L CA 1.556 56.411 54.840 0.025 0.000 0.752 1320 L CB -0.733 41.311 42.059 -0.025 0.000 0.899 1320 L HN 0.330 nan 8.230 nan 0.000 0.433 1321 E N -0.556 119.672 120.200 0.046 0.000 2.051 1321 E HA -0.232 4.119 4.350 0.001 0.000 0.192 1321 E C 2.293 178.904 176.600 0.017 0.000 0.991 1321 E CA 1.185 57.607 56.400 0.037 0.000 0.799 1321 E CB -0.298 29.402 29.700 -0.000 0.000 0.748 1321 E HN 0.441 nan 8.360 nan 0.000 0.449 1322 L N 0.649 121.853 121.223 -0.032 0.000 2.083 1322 L HA -0.186 4.155 4.340 0.001 0.000 0.209 1322 L C 2.394 179.264 176.870 -0.000 0.000 1.083 1322 L CA 0.795 55.604 54.840 -0.051 0.000 0.752 1322 L CB -0.276 41.687 42.059 -0.161 0.000 0.899 1322 L HN 0.148 nan 8.230 nan 0.000 0.433 1323 L N -0.874 120.383 121.223 0.058 0.000 2.465 1323 L HA -0.093 4.248 4.340 0.001 0.000 0.224 1323 L C 2.383 179.360 176.870 0.178 0.000 1.145 1323 L CA 0.604 55.523 54.840 0.132 0.000 0.834 1323 L CB -0.299 41.941 42.059 0.301 0.000 0.944 1323 L HN 0.162 nan 8.230 nan 0.000 0.451 1324 R N -0.634 119.919 120.500 0.089 0.000 2.310 1324 R HA 0.023 4.364 4.340 0.001 0.000 0.202 1324 R C 0.324 176.613 176.300 -0.018 0.000 0.933 1324 R CA -0.098 55.972 56.100 -0.051 0.000 1.054 1324 R CB 0.258 30.505 30.300 -0.088 0.000 0.985 1324 R HN 0.286 nan 8.270 nan 0.000 0.489 1325 Q N 1.341 121.149 119.800 0.013 0.000 2.421 1325 Q HA 0.118 4.459 4.340 0.001 0.000 0.255 1325 Q C -2.145 173.871 176.000 0.026 0.000 1.013 1325 Q CA -1.756 54.053 55.803 0.010 0.000 0.895 1325 Q CB 0.092 28.833 28.738 0.005 0.000 1.271 1325 Q HN 0.101 nan 8.270 nan 0.000 0.460 1326 P HA 0.086 nan 4.420 nan 0.000 0.275 1326 P C 0.395 177.726 177.300 0.051 0.000 1.227 1326 P CA 0.479 63.603 63.100 0.041 0.000 0.781 1326 P CB 0.777 32.494 31.700 0.029 0.000 0.906 1327 G N 2.080 110.931 108.800 0.084 0.000 2.217 1327 G HA2 -0.304 3.657 3.960 0.001 0.000 0.246 1327 G HA3 -0.304 3.657 3.960 0.001 0.000 0.246 1327 G C 1.117 176.089 174.900 0.120 0.000 0.990 1327 G CA 0.614 45.775 45.100 0.102 0.000 0.627 1327 G HN 0.476 nan 8.290 nan 0.000 0.522 1328 T N 0.333 114.933 114.554 0.077 0.000 2.505 1328 T HA -0.248 4.102 4.350 0.001 0.000 0.259 1328 T C 1.887 176.560 174.700 -0.045 0.000 1.158 1328 T CA 2.317 64.399 62.100 -0.030 0.000 1.190 1328 T CB -0.420 68.366 68.868 -0.138 0.000 0.864 1328 T HN 0.470 nan 8.240 nan 0.000 0.413 1329 Y N 1.579 121.963 120.300 0.139 0.000 2.242 1329 Y HA -0.056 4.495 4.550 0.001 0.000 0.291 1329 Y C 2.598 178.572 175.900 0.122 0.000 1.137 1329 Y CA 1.002 59.184 58.100 0.136 0.000 1.181 1329 Y CB -0.475 38.061 38.460 0.127 0.000 0.989 1329 Y HN 0.320 nan 8.280 nan 0.000 0.527 1330 E N -0.734 119.616 120.200 0.250 0.000 2.085 1330 E HA -0.262 4.089 4.350 0.001 0.000 0.194 1330 E C 1.861 178.545 176.600 0.140 0.000 0.994 1330 E CA 1.668 58.171 56.400 0.172 0.000 0.801 1330 E CB -0.676 29.113 29.700 0.148 0.000 0.743 1330 E HN 0.595 nan 8.360 nan 0.000 0.453 1331 Y N 0.925 121.254 120.300 0.049 0.000 2.145 1331 Y HA -0.175 4.376 4.550 0.001 0.000 0.286 1331 Y C 1.831 177.744 175.900 0.021 0.000 1.145 1331 Y CA 1.411 59.526 58.100 0.025 0.000 1.148 1331 Y CB -0.191 38.274 38.460 0.008 0.000 0.981 1331 Y HN -0.035 nan 8.280 nan 0.000 0.507 1332 L N 0.124 121.408 121.223 0.100 0.000 2.012 1332 L HA -0.279 4.061 4.340 0.001 0.000 0.210 1332 L C 2.470 179.314 176.870 -0.044 0.000 1.073 1332 L CA 1.980 56.832 54.840 0.020 0.000 0.748 1332 L CB -0.732 41.370 42.059 0.072 0.000 0.891 1332 L HN 0.330 nan 8.230 nan 0.000 0.431 1333 D N -0.589 119.825 120.400 0.023 0.000 2.178 1333 D HA -0.227 4.414 4.640 0.001 0.000 0.202 1333 D C 2.074 178.337 176.300 -0.062 0.000 0.974 1333 D CA 1.068 55.078 54.000 0.017 0.000 0.841 1333 D CB 0.151 40.998 40.800 0.079 0.000 0.953 1333 D HN 0.411 nan 8.370 nan 0.000 0.478 1334 Q N 0.645 120.377 119.800 -0.115 0.000 2.002 1334 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 1334 Q C 2.711 178.577 176.000 -0.223 0.000 0.988 1334 Q CA 2.067 57.774 55.803 -0.161 0.000 0.843 1334 Q CB -0.260 28.360 28.738 -0.197 0.000 0.908 1334 Q HN 0.525 nan 8.270 nan 0.000 0.420 1335 I N -1.982 118.370 120.570 -0.364 0.000 2.439 1335 I HA -0.094 4.076 4.170 0.001 0.000 0.251 1335 I C 1.793 177.774 176.117 -0.227 0.000 1.139 1335 I CA 1.431 62.547 61.300 -0.308 0.000 1.438 1335 I CB -0.620 37.146 38.000 -0.390 0.000 1.085 1335 I HN 0.004 nan 8.210 nan 0.000 0.427 1336 T N 0.940 115.374 114.554 -0.199 0.000 2.915 1336 T HA -0.126 4.224 4.350 0.001 0.000 0.269 1336 T C 1.840 176.413 174.700 -0.213 0.000 1.071 1336 T CA 1.450 63.429 62.100 -0.200 0.000 1.132 1336 T CB -0.173 68.643 68.868 -0.086 0.000 0.878 1336 T HN 0.404 nan 8.240 nan 0.000 0.479 1337 K N 0.881 121.191 120.400 -0.149 0.000 2.103 1337 K HA 0.027 4.347 4.320 0.001 0.000 0.204 1337 K C 2.524 179.039 176.600 -0.142 0.000 1.052 1337 K CA 0.588 56.805 56.287 -0.117 0.000 0.945 1337 K CB 0.070 32.528 32.500 -0.069 0.000 0.722 1337 K HN 0.139 nan 8.250 nan 0.000 0.443 1338 R N 0.464 120.871 120.500 -0.155 0.000 2.081 1338 R HA -0.146 4.195 4.340 0.001 0.000 0.235 1338 R C 2.358 178.543 176.300 -0.192 0.000 1.131 1338 R CA 1.083 57.096 56.100 -0.146 0.000 0.960 1338 R CB -0.448 29.772 30.300 -0.133 0.000 0.856 1338 R HN 0.196 nan 8.270 nan 0.000 0.436 1339 L N 0.508 121.564 121.223 -0.279 0.000 2.044 1339 L HA -0.088 4.253 4.340 0.001 0.000 0.205 1339 L C 2.466 179.077 176.870 -0.432 0.000 1.075 1339 L CA 1.704 56.304 54.840 -0.400 0.000 0.747 1339 L CB -0.614 41.085 42.059 -0.599 0.000 0.903 1339 L HN 0.006 nan 8.230 nan 0.000 0.435 1340 S N -0.734 114.721 115.700 -0.410 0.000 2.344 1340 S HA -0.218 4.253 4.470 0.001 0.000 0.217 1340 S C 1.789 176.305 174.600 -0.140 0.000 1.033 1340 S CA 1.614 59.650 58.200 -0.273 0.000 1.017 1340 S CB -0.514 62.581 63.200 -0.175 0.000 0.941 1340 S HN 0.572 nan 8.310 nan 0.000 0.430 1341 D N 0.634 120.969 120.400 -0.109 0.000 2.116 1341 D HA -0.094 4.546 4.640 0.001 0.000 0.193 1341 D C 2.074 178.334 176.300 -0.067 0.000 0.998 1341 D CA 1.485 55.450 54.000 -0.059 0.000 0.836 1341 D CB -1.037 39.731 40.800 -0.053 0.000 0.951 1341 D HN 0.570 nan 8.370 nan 0.000 0.449 1342 G N 0.369 109.103 108.800 -0.110 0.000 2.448 1342 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 1342 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 1342 G C 1.630 176.455 174.900 -0.124 0.000 1.127 1342 G CA 0.202 45.238 45.100 -0.107 0.000 0.766 1342 G HN 0.169 nan 8.290 nan 0.000 0.552 1343 L N 0.002 121.110 121.223 -0.192 0.000 2.131 1343 L HA 0.278 4.619 4.340 0.001 0.000 0.206 1343 L C 2.663 179.514 176.870 -0.032 0.000 1.087 1343 L CA 1.023 55.691 54.840 -0.286 0.000 0.767 1343 L CB -0.267 41.431 42.059 -0.601 0.000 0.917 1343 L HN 0.158 nan 8.230 nan 0.000 0.441 1344 L N -1.576 119.703 121.223 0.093 0.000 2.313 1344 L HA -0.033 4.307 4.340 0.001 0.000 0.214 1344 L C 2.450 179.379 176.870 0.098 0.000 1.119 1344 L CA 0.712 55.666 54.840 0.190 0.000 0.809 1344 L CB -0.543 41.598 42.059 0.136 0.000 0.933 1344 L HN 0.246 nan 8.230 nan 0.000 0.449 1345 A N 0.366 123.211 122.820 0.041 0.000 1.897 1345 A HA -0.111 4.210 4.320 0.001 0.000 0.215 1345 A C 2.167 179.774 177.584 0.038 0.000 1.181 1345 A CA 1.123 53.176 52.037 0.026 0.000 0.620 1345 A CB -0.412 18.587 19.000 -0.001 0.000 0.821 1345 A HN 0.301 nan 8.150 nan 0.000 0.443 1346 I N -0.239 120.349 120.570 0.030 0.000 2.252 1346 I HA -0.242 3.929 4.170 0.001 0.000 0.245 1346 I C 2.936 179.115 176.117 0.104 0.000 1.102 1346 I CA 1.020 62.346 61.300 0.044 0.000 1.385 1346 I CB -0.297 37.708 38.000 0.009 0.000 1.064 1346 I HN 0.347 nan 8.210 nan 0.000 0.414 1347 A N -0.063 122.849 122.820 0.153 0.000 1.972 1347 A HA -0.270 4.050 4.320 0.001 0.000 0.219 1347 A C 2.276 179.971 177.584 0.186 0.000 1.169 1347 A CA 1.630 53.809 52.037 0.236 0.000 0.635 1347 A CB -0.608 18.575 19.000 0.306 0.000 0.810 1347 A HN 0.471 nan 8.150 nan 0.000 0.446 1348 Q N -0.413 119.459 119.800 0.120 0.000 2.084 1348 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 1348 Q C 1.936 177.971 176.000 0.059 0.000 0.978 1348 Q CA 1.851 57.700 55.803 0.076 0.000 0.844 1348 Q CB -0.089 28.681 28.738 0.053 0.000 0.898 1348 Q HN 0.804 nan 8.270 nan 0.000 0.426 1349 E N -0.616 119.621 120.200 0.062 0.000 2.028 1349 E HA -0.146 4.204 4.350 0.001 0.000 0.191 1349 E C 1.923 178.554 176.600 0.052 0.000 0.988 1349 E CA 1.678 58.106 56.400 0.046 0.000 0.799 1349 E CB -0.089 29.635 29.700 0.041 0.000 0.755 1349 E HN 0.501 nan 8.360 nan 0.000 0.447 1350 T N -1.668 112.946 114.554 0.100 0.000 3.077 1350 T HA 0.031 4.382 4.350 0.001 0.000 0.269 1350 T C 1.388 176.094 174.700 0.011 0.000 1.146 1350 T CA 0.524 62.694 62.100 0.117 0.000 1.091 1350 T CB -0.215 68.825 68.868 0.286 0.000 0.892 1350 T HN 0.344 nan 8.240 nan 0.000 0.533 1351 G N 1.027 109.831 108.800 0.007 0.000 2.291 1351 G HA2 -0.195 3.766 3.960 0.001 0.000 0.271 1351 G HA3 -0.195 3.766 3.960 0.001 0.000 0.271 1351 G C -0.414 174.365 174.900 -0.202 0.000 1.099 1351 G CA -0.198 44.850 45.100 -0.086 0.000 0.919 1351 G HN 0.796 nan 8.290 nan 0.000 0.496 1352 H N -0.244 118.846 119.070 0.032 0.000 2.469 1352 H HA 0.653 5.210 4.556 0.001 0.000 0.342 1352 H C 0.661 176.019 175.328 0.050 0.000 1.115 1352 H CA 0.151 56.220 56.048 0.035 0.000 1.204 1352 H CB 1.758 31.576 29.762 0.093 0.000 1.492 1352 H HN 0.634 nan 8.280 nan 0.000 0.499 1353 A N 2.777 125.683 122.820 0.144 0.000 2.484 1353 A HA 0.549 4.870 4.320 0.001 0.000 0.268 1353 A C -0.153 177.508 177.584 0.128 0.000 1.114 1353 A CA 0.617 52.708 52.037 0.090 0.000 0.780 1353 A CB -0.680 18.350 19.000 0.051 0.000 1.061 1353 A HN 0.783 nan 8.150 nan 0.000 0.505 1354 A N 1.572 124.410 122.820 0.030 0.000 2.601 1354 A HA 0.773 5.093 4.320 0.001 0.000 0.291 1354 A C -0.411 177.093 177.584 -0.133 0.000 1.075 1354 A CA -0.006 51.950 52.037 -0.135 0.000 0.671 1354 A CB 0.628 19.458 19.000 -0.284 0.000 1.277 1354 A HN 2.600 nan 8.150 nan 0.000 0.417 1355 C N -1.230 117.947 119.300 -0.204 0.000 3.295 1355 C HA 1.050 5.511 4.460 0.001 0.000 0.341 1355 C C 0.244 175.252 174.990 0.030 0.000 1.418 1355 C CA 0.175 59.161 59.018 -0.052 0.000 1.240 1355 C CB 0.998 28.730 27.740 -0.015 0.000 1.562 1355 C HN 3.083 nan 8.230 nan 0.000 0.457 1356 G N -0.710 108.174 108.800 0.140 0.000 2.359 1356 G HA2 0.699 4.659 3.960 0.001 0.000 0.303 1356 G HA3 0.699 4.659 3.960 0.001 0.000 0.303 1356 G C -0.518 174.504 174.900 0.203 0.000 1.293 1356 G CA 0.362 45.614 45.100 0.252 0.000 0.964 1356 G HN 2.906 nan 8.290 nan 0.000 0.531 1357 G N -1.403 107.533 108.800 0.226 0.000 2.570 1357 G HA2 0.910 4.870 3.960 0.001 0.000 0.310 1357 G HA3 0.910 4.870 3.960 0.001 0.000 0.310 1357 G C -1.263 173.624 174.900 -0.021 0.000 1.266 1357 G CA 1.072 46.258 45.100 0.144 0.000 0.825 1357 G HN 1.977 nan 8.290 nan 0.000 0.483 1358 Q N -1.613 118.177 119.800 -0.016 0.000 2.435 1358 Q HA 0.722 5.062 4.340 0.001 0.000 0.282 1358 Q C -1.646 174.387 176.000 0.054 0.000 1.020 1358 Q CA -0.923 54.755 55.803 -0.208 0.000 0.820 1358 Q CB 2.136 30.793 28.738 -0.134 0.000 1.436 1358 Q HN 0.948 nan 8.270 nan 0.000 0.395 1359 V N 1.188 121.154 119.914 0.086 0.000 2.686 1359 V HA 0.728 4.849 4.120 0.001 0.000 0.306 1359 V C 0.439 176.642 176.094 0.182 0.000 1.065 1359 V CA 0.009 62.462 62.300 0.255 0.000 0.894 1359 V CB 1.006 33.105 31.823 0.459 0.000 1.004 1359 V HN 1.118 nan 8.190 nan 0.000 0.424 1360 S N 3.857 119.661 115.700 0.173 0.000 3.366 1360 S HA -0.230 4.240 4.470 0.001 0.000 0.625 1360 S C 1.330 176.015 174.600 0.142 0.000 2.797 1360 S CA 1.639 59.950 58.200 0.185 0.000 3.953 1360 S CB -1.128 62.227 63.200 0.259 0.000 0.301 1360 S HN 2.208 nan 8.310 nan 0.000 1.237 1361 G N 0.981 109.885 108.800 0.174 0.000 3.414 1361 G HA2 0.436 4.397 3.960 0.001 0.000 0.258 1361 G HA3 0.436 4.397 3.960 0.001 0.000 0.258 1361 G C -0.076 174.954 174.900 0.217 0.000 1.348 1361 G CA 0.467 45.660 45.100 0.156 0.000 1.319 1361 G HN 0.666 nan 8.290 nan 0.000 0.555 1362 M N 0.734 120.422 119.600 0.147 0.000 2.326 1362 M HA 0.691 5.172 4.480 0.001 0.000 0.292 1362 M C -1.508 174.537 176.300 -0.425 0.000 1.081 1362 M CA -1.134 54.176 55.300 0.017 0.000 0.919 1362 M CB 1.892 34.641 32.600 0.247 0.000 1.634 1362 M HN 0.128 nan 8.290 nan 0.000 0.451 1363 F N 1.804 121.304 119.950 -0.751 0.000 2.754 1363 F HA 1.034 5.562 4.527 0.001 0.000 0.320 1363 F C -0.807 174.563 175.800 -0.716 0.000 1.156 1363 F CA -0.636 56.767 58.000 -0.995 0.000 0.950 1363 F CB 1.163 39.853 39.000 -0.517 0.000 1.388 1363 F HN 0.596 nan 8.300 nan 0.000 0.485 1364 G N -0.189 108.416 108.800 -0.325 0.000 2.695 1364 G HA2 0.637 4.597 3.960 0.001 0.000 0.290 1364 G HA3 0.637 4.597 3.960 0.001 0.000 0.290 1364 G C -2.728 172.187 174.900 0.026 0.000 1.410 1364 G CA -0.882 44.086 45.100 -0.220 0.000 0.844 1364 G HN 0.979 nan 8.290 nan 0.000 0.478 1365 F N 0.789 120.468 119.950 -0.450 0.000 3.152 1365 F HA 0.617 5.145 4.527 0.001 0.000 0.367 1365 F C -1.851 173.621 175.800 -0.547 0.000 1.272 1365 F CA -1.430 56.366 58.000 -0.340 0.000 1.172 1365 F CB 0.921 39.782 39.000 -0.231 0.000 1.552 1365 F HN 0.320 nan 8.300 nan 0.000 0.616 1366 F N 5.151 124.745 119.950 -0.594 0.000 2.450 1366 F HA 0.426 4.953 4.527 0.001 0.000 0.332 1366 F C -0.058 175.354 175.800 -0.646 0.000 1.093 1366 F CA -0.708 56.973 58.000 -0.533 0.000 1.003 1366 F CB 1.164 39.984 39.000 -0.300 0.000 1.151 1366 F HN 0.295 nan 8.300 nan 0.000 0.474 1367 F N 2.054 121.881 119.950 -0.206 0.000 2.626 1367 F HA 0.322 4.849 4.527 0.001 0.000 0.353 1367 F C 0.499 176.239 175.800 -0.101 0.000 1.230 1367 F CA 0.097 57.977 58.000 -0.200 0.000 1.298 1367 F CB 0.076 39.015 39.000 -0.100 0.000 1.670 1367 F HN 0.442 nan 8.300 nan 0.000 0.633 1368 T N -0.091 114.501 114.554 0.062 0.000 2.827 1368 T HA 0.065 4.416 4.350 0.001 0.000 0.328 1368 T C 0.661 175.350 174.700 -0.020 0.000 1.598 1368 T CA -0.598 61.513 62.100 0.018 0.000 1.043 1368 T CB 1.168 70.023 68.868 -0.020 0.000 1.447 1368 T HN 0.584 nan 8.240 nan 0.000 0.491 1369 E N 1.646 121.835 120.200 -0.019 0.000 2.208 1369 E HA 0.288 4.639 4.350 0.001 0.000 0.193 1369 E C 1.405 177.984 176.600 -0.034 0.000 0.988 1369 E CA 0.750 57.137 56.400 -0.021 0.000 0.828 1369 E CB -0.488 29.204 29.700 -0.013 0.000 0.763 1369 E HN 1.088 nan 8.360 nan 0.000 0.478 1370 G N 2.457 111.222 108.800 -0.058 0.000 2.614 1370 G HA2 -0.325 3.636 3.960 0.001 0.000 0.303 1370 G HA3 -0.325 3.636 3.960 0.001 0.000 0.303 1370 G C -1.767 173.119 174.900 -0.022 0.000 1.270 1370 G CA 0.535 45.594 45.100 -0.068 0.000 0.988 1370 G HN 0.460 nan 8.290 nan 0.000 0.551 1371 P HA 0.465 nan 4.420 nan 0.000 0.272 1371 P C -0.360 176.951 177.300 0.019 0.000 1.240 1371 P CA -0.242 62.870 63.100 0.020 0.000 0.791 1371 P CB 0.881 32.636 31.700 0.091 0.000 0.978 1372 V N 1.893 121.746 119.914 -0.100 0.000 2.394 1372 V HA 0.160 4.280 4.120 0.001 0.000 0.282 1372 V C 0.575 176.579 176.094 -0.149 0.000 1.031 1372 V CA 0.025 62.213 62.300 -0.186 0.000 0.881 1372 V CB 0.625 32.107 31.823 -0.569 0.000 0.982 1372 V HN 0.645 nan 8.190 nan 0.000 0.451 1373 H N 2.421 121.418 119.070 -0.123 0.000 3.440 1373 H HA 0.299 4.856 4.556 0.001 0.000 0.259 1373 H C 0.643 175.964 175.328 -0.011 0.000 1.120 1373 H CA 0.196 56.205 56.048 -0.065 0.000 1.191 1373 H CB 0.566 30.285 29.762 -0.072 0.000 1.537 1373 H HN 0.816 nan 8.280 nan 0.000 0.547 1374 N N -2.294 116.452 118.700 0.076 0.000 3.449 1374 N HA -0.055 4.686 4.740 0.001 0.000 0.312 1374 N C -0.001 175.573 175.510 0.105 0.000 1.582 1374 N CA -0.599 52.517 53.050 0.110 0.000 0.850 1374 N CB 1.051 39.626 38.487 0.145 0.000 1.822 1374 N HN -0.117 nan 8.380 nan 0.000 0.577 1375 Y N 0.656 120.960 120.300 0.007 0.000 2.184 1375 Y HA -0.013 4.538 4.550 0.001 0.000 0.290 1375 Y C 2.506 178.407 175.900 0.003 0.000 1.129 1375 Y CA 2.008 60.110 58.100 0.004 0.000 1.144 1375 Y CB -0.440 38.021 38.460 0.001 0.000 0.995 1375 Y HN 0.775 nan 8.280 nan 0.000 0.513 1376 E N -0.091 120.088 120.200 -0.034 0.000 2.033 1376 E HA -0.277 4.073 4.350 0.001 0.000 0.199 1376 E C 1.816 178.330 176.600 -0.143 0.000 1.011 1376 E CA 1.849 58.167 56.400 -0.138 0.000 0.815 1376 E CB -0.178 29.496 29.700 -0.043 0.000 0.755 1376 E HN 0.440 nan 8.360 nan 0.000 0.451 1377 D N -0.033 120.309 120.400 -0.096 0.000 2.133 1377 D HA -0.220 4.421 4.640 0.001 0.000 0.192 1377 D C 1.791 177.967 176.300 -0.206 0.000 1.001 1377 D CA 1.647 55.571 54.000 -0.126 0.000 0.844 1377 D CB -0.465 40.274 40.800 -0.102 0.000 0.944 1377 D HN 0.338 nan 8.370 nan 0.000 0.447 1378 A N 0.566 123.243 122.820 -0.239 0.000 1.969 1378 A HA -0.165 4.156 4.320 0.001 0.000 0.218 1378 A C 2.003 179.576 177.584 -0.019 0.000 1.169 1378 A CA 1.208 53.077 52.037 -0.279 0.000 0.635 1378 A CB -0.376 18.591 19.000 -0.054 0.000 0.810 1378 A HN 0.124 nan 8.150 nan 0.000 0.445 1379 K N -0.179 120.162 120.400 -0.098 0.000 2.515 1379 K HA -0.062 4.258 4.320 0.001 0.000 0.196 1379 K C 1.217 177.813 176.600 -0.007 0.000 1.038 1379 K CA 0.896 57.153 56.287 -0.051 0.000 0.967 1379 K CB -0.061 32.222 32.500 -0.362 0.000 0.780 1379 K HN 0.458 nan 8.250 nan 0.000 0.483 1380 K N 0.359 120.729 120.400 -0.049 0.000 2.525 1380 K HA 0.048 4.369 4.320 0.001 0.000 0.192 1380 K C 0.255 176.853 176.600 -0.003 0.000 1.029 1380 K CA 0.009 56.276 56.287 -0.034 0.000 1.029 1380 K CB 0.355 32.820 32.500 -0.058 0.000 0.814 1380 K HN -0.069 nan 8.250 nan 0.000 0.503 1381 S N 2.142 117.848 115.700 0.011 0.000 2.549 1381 S HA -0.064 4.406 4.470 0.001 0.000 0.286 1381 S C 0.023 174.661 174.600 0.063 0.000 1.314 1381 S CA -0.303 57.921 58.200 0.041 0.000 1.062 1381 S CB 0.506 63.707 63.200 0.003 0.000 0.865 1381 S HN 0.189 nan 8.310 nan 0.000 0.498 1382 D N 2.585 123.044 120.400 0.099 0.000 2.367 1382 D HA 0.059 4.699 4.640 0.001 0.000 0.255 1382 D C 0.728 177.102 176.300 0.124 0.000 1.300 1382 D CA -0.385 53.659 54.000 0.074 0.000 0.959 1382 D CB 0.165 40.972 40.800 0.012 0.000 1.064 1382 D HN 0.196 nan 8.370 nan 0.000 0.509 1383 L N 3.301 124.591 121.223 0.112 0.000 2.093 1383 L HA -0.130 4.211 4.340 0.001 0.000 0.208 1383 L C 2.346 179.322 176.870 0.177 0.000 1.085 1383 L CA 1.294 56.225 54.840 0.152 0.000 0.755 1383 L CB -0.710 41.430 42.059 0.135 0.000 0.904 1383 L HN 0.487 nan 8.230 nan 0.000 0.435 1384 Q N -0.533 119.332 119.800 0.109 0.000 2.170 1384 Q HA -0.238 4.103 4.340 0.001 0.000 0.203 1384 Q C 2.230 178.271 176.000 0.069 0.000 0.976 1384 Q CA 1.241 57.094 55.803 0.083 0.000 0.858 1384 Q CB -0.099 28.667 28.738 0.047 0.000 0.907 1384 Q HN 0.395 nan 8.270 nan 0.000 0.433 1385 K N 0.468 120.884 120.400 0.026 0.000 1.984 1385 K HA -0.129 4.192 4.320 0.001 0.000 0.209 1385 K C 1.808 178.465 176.600 0.094 0.000 1.046 1385 K CA 0.993 57.206 56.287 -0.124 0.000 0.934 1385 K CB -0.676 31.525 32.500 -0.499 0.000 0.717 1385 K HN 0.060 nan 8.250 nan 0.000 0.438 1386 F N 1.113 121.215 119.950 0.254 0.000 2.147 1386 F HA -0.275 4.252 4.527 0.001 0.000 0.301 1386 F C 2.396 178.385 175.800 0.314 0.000 1.084 1386 F CA 2.014 60.305 58.000 0.485 0.000 1.268 1386 F CB -0.830 38.344 39.000 0.291 0.000 1.009 1386 F HN 0.201 nan 8.300 nan 0.000 0.486 1387 S N 0.150 115.995 115.700 0.241 0.000 2.353 1387 S HA -0.224 4.247 4.470 0.001 0.000 0.222 1387 S C 2.242 176.868 174.600 0.044 0.000 1.035 1387 S CA 1.620 59.885 58.200 0.108 0.000 1.025 1387 S CB -0.314 62.959 63.200 0.121 0.000 0.902 1387 S HN 0.506 nan 8.310 nan 0.000 0.440 1388 R N -0.943 119.595 120.500 0.063 0.000 2.115 1388 R HA -0.002 4.339 4.340 0.001 0.000 0.230 1388 R C 2.090 178.409 176.300 0.031 0.000 1.111 1388 R CA 1.394 57.518 56.100 0.039 0.000 0.976 1388 R CB -0.455 29.866 30.300 0.035 0.000 0.870 1388 R HN 0.529 nan 8.270 nan 0.000 0.445 1389 F N 1.050 120.950 119.950 -0.084 0.000 2.163 1389 F HA -0.171 4.356 4.527 0.001 0.000 0.297 1389 F C 2.498 178.156 175.800 -0.236 0.000 1.094 1389 F CA 1.456 59.400 58.000 -0.094 0.000 1.290 1389 F CB -0.360 38.721 39.000 0.136 0.000 1.017 1389 F HN 0.054 nan 8.300 nan 0.000 0.483 1390 H N 0.253 119.010 119.070 -0.522 0.000 2.326 1390 H HA -0.093 4.464 4.556 0.001 0.000 0.301 1390 H C 2.352 177.420 175.328 -0.432 0.000 1.081 1390 H CA 1.432 57.085 56.048 -0.658 0.000 1.334 1390 H CB -0.090 29.245 29.762 -0.713 0.000 1.385 1390 H HN 0.048 nan 8.280 nan 0.000 0.504 1391 R N 0.734 121.172 120.500 -0.104 0.000 2.120 1391 R HA -0.057 4.284 4.340 0.001 0.000 0.234 1391 R C 2.523 178.691 176.300 -0.220 0.000 1.123 1391 R CA 1.081 57.149 56.100 -0.053 0.000 0.975 1391 R CB -1.176 29.146 30.300 0.038 0.000 0.866 1391 R HN 0.524 nan 8.270 nan 0.000 0.446 1392 G N 0.648 109.283 108.800 -0.275 0.000 2.453 1392 G HA2 -0.249 3.712 3.960 0.001 0.000 0.215 1392 G HA3 -0.249 3.712 3.960 0.001 0.000 0.215 1392 G C 1.437 176.089 174.900 -0.413 0.000 1.201 1392 G CA 0.775 45.694 45.100 -0.301 0.000 0.784 1392 G HN 0.170 nan 8.290 nan 0.000 0.545 1393 M N -0.073 119.166 119.600 -0.601 0.000 2.106 1393 M HA -0.056 4.425 4.480 0.001 0.000 0.259 1393 M C 2.565 178.634 176.300 -0.385 0.000 1.068 1393 M CA 0.888 55.853 55.300 -0.557 0.000 1.100 1393 M CB -1.315 30.830 32.600 -0.759 0.000 1.351 1393 M HN 0.194 nan 8.290 nan 0.000 0.404 1394 L N 0.589 121.572 121.223 -0.400 0.000 2.013 1394 L HA -0.214 4.127 4.340 0.001 0.000 0.212 1394 L C 2.242 178.851 176.870 -0.436 0.000 1.073 1394 L CA 1.954 56.675 54.840 -0.198 0.000 0.753 1394 L CB -0.767 41.224 42.059 -0.113 0.000 0.890 1394 L HN 0.384 nan 8.230 nan 0.000 0.432 1395 E N -1.506 118.236 120.200 -0.763 0.000 2.268 1395 E HA -0.183 4.168 4.350 0.001 0.000 0.195 1395 E C 1.733 178.019 176.600 -0.524 0.000 0.995 1395 E CA 0.559 56.300 56.400 -1.098 0.000 0.836 1395 E CB -0.012 29.243 29.700 -0.742 0.000 0.763 1395 E HN 0.503 nan 8.360 nan 0.000 0.491 1396 Q N -0.555 119.034 119.800 -0.351 0.000 2.403 1396 Q HA 0.079 4.420 4.340 0.001 0.000 0.203 1396 Q C 0.796 176.687 176.000 -0.182 0.000 0.932 1396 Q CA 0.658 56.327 55.803 -0.223 0.000 0.945 1396 Q CB 1.272 29.894 28.738 -0.193 0.000 1.045 1396 Q HN 0.376 nan 8.270 nan 0.000 0.511 1397 G N 1.289 109.972 108.800 -0.196 0.000 2.203 1397 G HA2 -0.168 3.793 3.960 0.001 0.000 0.231 1397 G HA3 -0.168 3.793 3.960 0.001 0.000 0.231 1397 G C -0.183 174.736 174.900 0.032 0.000 1.058 1397 G CA -0.292 44.711 45.100 -0.161 0.000 0.781 1397 G HN 0.184 nan 8.290 nan 0.000 0.496 1398 I N -0.096 120.537 120.570 0.104 0.000 2.498 1398 I HA 0.415 4.586 4.170 0.001 0.000 0.290 1398 I C -0.610 175.616 176.117 0.182 0.000 1.032 1398 I CA -1.847 59.542 61.300 0.147 0.000 1.073 1398 I CB 1.700 39.688 38.000 -0.019 0.000 1.251 1398 I HN 0.131 nan 8.210 nan 0.000 0.426 1399 Y N 6.794 127.164 120.300 0.116 0.000 2.417 1399 Y HA 0.594 5.144 4.550 0.001 0.000 0.336 1399 Y C -0.854 175.077 175.900 0.052 0.000 0.961 1399 Y CA -0.373 57.721 58.100 -0.011 0.000 1.215 1399 Y CB 0.921 39.344 38.460 -0.061 0.000 1.120 1399 Y HN 0.406 nan 8.280 nan 0.000 0.499 1400 L N 4.695 125.643 121.223 -0.459 0.000 2.330 1400 L HA 0.721 5.062 4.340 0.001 0.000 0.271 1400 L C 0.163 176.885 176.870 -0.246 0.000 1.013 1400 L CA -1.645 53.050 54.840 -0.242 0.000 0.816 1400 L CB 1.591 43.524 42.059 -0.210 0.000 1.287 1400 L HN 0.664 nan 8.230 nan 0.000 0.435 1401 A N 2.843 125.589 122.820 -0.125 0.000 2.561 1401 A HA 0.149 4.470 4.320 0.001 0.000 0.251 1401 A C -1.801 175.809 177.584 0.044 0.000 1.062 1401 A CA -0.666 51.304 52.037 -0.112 0.000 0.761 1401 A CB -0.657 18.303 19.000 -0.066 0.000 0.986 1401 A HN 0.508 nan 8.150 nan 0.000 0.510 1402 P HA 0.042 nan 4.420 nan 0.000 0.262 1402 P C -0.226 176.959 177.300 -0.191 0.000 1.647 1402 P CA 0.737 63.439 63.100 -0.664 0.000 0.865 1402 P CB -0.323 30.710 31.700 -1.111 0.000 1.834 1403 S N -0.019 115.737 115.700 0.094 0.000 2.558 1403 S HA 0.199 4.670 4.470 0.001 0.000 0.277 1403 S C 0.587 174.843 174.600 -0.574 0.000 1.143 1403 S CA -0.447 57.727 58.200 -0.042 0.000 0.865 1403 S CB 1.669 64.901 63.200 0.053 0.000 1.102 1403 S HN -0.045 nan 8.310 nan 0.000 0.454 1404 Q N 2.414 121.519 119.800 -1.157 0.000 2.245 1404 Q HA 0.256 4.597 4.340 0.001 0.000 0.201 1404 Q C 0.015 175.385 176.000 -1.050 0.000 0.955 1404 Q CA 1.734 56.536 55.803 -1.669 0.000 0.870 1404 Q CB -0.216 27.573 28.738 -1.582 0.000 0.945 1404 Q HN 0.725 nan 8.270 nan 0.000 0.461 1405 F N 1.320 121.105 119.950 -0.275 0.000 2.974 1405 F HA 0.393 4.921 4.527 0.001 0.000 0.292 1405 F C -0.183 175.559 175.800 -0.095 0.000 1.209 1405 F CA -0.333 57.609 58.000 -0.096 0.000 1.366 1405 F CB 0.264 39.284 39.000 0.033 0.000 1.033 1405 F HN -0.169 nan 8.300 nan 0.000 0.516 1406 E N 1.014 121.175 120.200 -0.065 0.000 2.246 1406 E HA 0.537 4.888 4.350 0.001 0.000 0.266 1406 E C -0.427 176.055 176.600 -0.198 0.000 0.880 1406 E CA -0.634 55.768 56.400 0.004 0.000 0.762 1406 E CB 2.251 32.065 29.700 0.189 0.000 1.180 1406 E HN 0.151 nan 8.360 nan 0.000 0.416 1407 A N 2.107 124.788 122.820 -0.231 0.000 2.406 1407 A HA 0.563 4.884 4.320 0.001 0.000 0.243 1407 A C 0.673 177.620 177.584 -1.061 0.000 1.082 1407 A CA 0.455 52.183 52.037 -0.516 0.000 0.786 1407 A CB 0.309 19.133 19.000 -0.293 0.000 1.029 1407 A HN 0.533 nan 8.150 nan 0.000 0.495 1408 G N -0.801 107.126 108.800 -1.454 0.000 2.437 1408 G HA2 0.608 4.568 3.960 0.001 0.000 0.319 1408 G HA3 0.608 4.568 3.960 0.001 0.000 0.319 1408 G C -0.841 173.180 174.900 -1.465 0.000 1.158 1408 G CA -0.526 43.550 45.100 -1.706 0.000 0.899 1408 G HN 0.502 nan 8.290 nan 0.000 0.502 1409 F N -0.504 119.357 119.950 -0.149 0.000 2.588 1409 F HA 0.620 5.147 4.527 0.001 0.000 0.310 1409 F C 0.558 176.430 175.800 0.119 0.000 1.082 1409 F CA -0.819 57.199 58.000 0.030 0.000 0.929 1409 F CB 2.988 41.983 39.000 -0.007 0.000 1.254 1409 F HN 0.643 nan 8.300 nan 0.000 0.455 1410 T N -1.693 112.979 114.554 0.197 0.000 2.907 1410 T HA 0.822 5.173 4.350 0.001 0.000 0.290 1410 T C -0.602 174.011 174.700 -0.144 0.000 1.066 1410 T CA -0.861 61.105 62.100 -0.223 0.000 1.012 1410 T CB 1.753 70.509 68.868 -0.187 0.000 1.184 1410 T HN 0.724 nan 8.240 nan 0.000 0.522 1411 S N -0.075 115.506 115.700 -0.198 0.000 2.667 1411 S HA 0.533 5.004 4.470 0.001 0.000 0.292 1411 S C 0.805 175.481 174.600 0.127 0.000 1.126 1411 S CA -1.174 57.043 58.200 0.028 0.000 0.881 1411 S CB 0.861 64.091 63.200 0.050 0.000 1.132 1411 S HN 0.651 nan 8.310 nan 0.000 0.492 1412 L N 0.517 121.794 121.223 0.090 0.000 2.456 1412 L HA 0.044 4.384 4.340 0.001 0.000 0.224 1412 L C 2.527 179.416 176.870 0.031 0.000 1.148 1412 L CA 1.190 56.074 54.840 0.074 0.000 0.825 1412 L CB -0.735 41.319 42.059 -0.008 0.000 0.937 1412 L HN 0.923 nan 8.230 nan 0.000 0.450 1413 A N -1.845 121.007 122.820 0.053 0.000 2.169 1413 A HA -0.026 4.294 4.320 0.001 0.000 0.212 1413 A C 0.319 177.867 177.584 -0.060 0.000 1.153 1413 A CA 0.084 52.099 52.037 -0.037 0.000 0.756 1413 A CB -0.522 18.420 19.000 -0.097 0.000 0.813 1413 A HN 0.305 nan 8.150 nan 0.000 0.471 1414 H N 1.226 120.258 119.070 -0.064 0.000 2.819 1414 H HA 0.347 4.904 4.556 0.001 0.000 0.303 1414 H C 0.937 176.322 175.328 0.095 0.000 1.058 1414 H CA 0.863 56.875 56.048 -0.060 0.000 1.471 1414 H CB 0.698 30.434 29.762 -0.044 0.000 1.480 1414 H HN 0.344 nan 8.280 nan 0.000 0.517 1415 T N -0.375 114.248 114.554 0.115 0.000 2.881 1415 T HA 0.115 4.465 4.350 0.001 0.000 0.278 1415 T C 1.393 176.182 174.700 0.149 0.000 0.982 1415 T CA -0.898 61.299 62.100 0.161 0.000 0.989 1415 T CB 1.387 70.308 68.868 0.088 0.000 1.058 1415 T HN 0.570 nan 8.240 nan 0.000 0.529 1416 E N 0.328 120.612 120.200 0.140 0.000 2.171 1416 E HA -0.156 4.195 4.350 0.001 0.000 0.197 1416 E C 1.797 178.431 176.600 0.056 0.000 0.997 1416 E CA 1.526 57.972 56.400 0.077 0.000 0.810 1416 E CB -0.253 29.488 29.700 0.068 0.000 0.738 1416 E HN 0.769 nan 8.360 nan 0.000 0.467 1417 E N 0.498 120.737 120.200 0.064 0.000 2.072 1417 E HA -0.153 4.197 4.350 0.001 0.000 0.191 1417 E C 1.715 178.352 176.600 0.062 0.000 0.985 1417 E CA 1.368 57.800 56.400 0.052 0.000 0.801 1417 E CB -0.244 29.489 29.700 0.055 0.000 0.750 1417 E HN 0.316 nan 8.360 nan 0.000 0.452 1418 D N 0.304 120.754 120.400 0.083 0.000 2.123 1418 D HA -0.144 4.496 4.640 0.001 0.000 0.196 1418 D C 1.879 178.258 176.300 0.132 0.000 0.992 1418 D CA 0.837 54.898 54.000 0.102 0.000 0.833 1418 D CB -0.109 40.712 40.800 0.034 0.000 0.954 1418 D HN 0.120 nan 8.370 nan 0.000 0.455 1419 I N 1.745 122.383 120.570 0.114 0.000 2.163 1419 I HA -0.211 3.960 4.170 0.001 0.000 0.243 1419 I C 1.812 177.931 176.117 0.003 0.000 1.085 1419 I CA 1.268 62.605 61.300 0.062 0.000 1.347 1419 I CB -1.045 36.954 38.000 -0.002 0.000 1.044 1419 I HN -0.040 nan 8.210 nan 0.000 0.408 1420 D N 1.060 121.463 120.400 0.006 0.000 2.144 1420 D HA -0.086 4.555 4.640 0.001 0.000 0.200 1420 D C 2.248 178.542 176.300 -0.010 0.000 0.978 1420 D CA 1.487 55.480 54.000 -0.012 0.000 0.833 1420 D CB 0.025 40.822 40.800 -0.004 0.000 0.961 1420 D HN 0.328 nan 8.370 nan 0.000 0.470 1421 A N 0.355 123.182 122.820 0.012 0.000 1.968 1421 A HA -0.095 4.226 4.320 0.001 0.000 0.217 1421 A C 2.337 179.920 177.584 -0.002 0.000 1.169 1421 A CA 1.571 53.611 52.037 0.006 0.000 0.638 1421 A CB -0.613 18.401 19.000 0.023 0.000 0.812 1421 A HN 0.167 nan 8.150 nan 0.000 0.446 1422 T N 0.550 115.114 114.554 0.017 0.000 2.737 1422 T HA -0.050 4.301 4.350 0.001 0.000 0.265 1422 T C 1.818 176.460 174.700 -0.098 0.000 1.038 1422 T CA 1.336 63.423 62.100 -0.022 0.000 1.144 1422 T CB -0.375 68.484 68.868 -0.016 0.000 0.866 1422 T HN 0.352 nan 8.240 nan 0.000 0.434 1423 L N 0.829 121.992 121.223 -0.100 0.000 2.042 1423 L HA -0.156 4.185 4.340 0.001 0.000 0.210 1423 L C 3.034 179.861 176.870 -0.071 0.000 1.076 1423 L CA 1.273 56.048 54.840 -0.109 0.000 0.749 1423 L CB -0.737 41.265 42.059 -0.096 0.000 0.893 1423 L HN 0.258 nan 8.230 nan 0.000 0.432 1424 A N 0.164 122.953 122.820 -0.052 0.000 1.851 1424 A HA -0.235 4.085 4.320 0.001 0.000 0.216 1424 A C 2.543 180.101 177.584 -0.044 0.000 1.195 1424 A CA 2.006 54.019 52.037 -0.039 0.000 0.622 1424 A CB -0.992 17.988 19.000 -0.033 0.000 0.831 1424 A HN 0.400 nan 8.150 nan 0.000 0.444 1425 A N -0.373 122.411 122.820 -0.059 0.000 1.940 1425 A HA 0.090 4.410 4.320 0.001 0.000 0.219 1425 A C 2.482 180.021 177.584 -0.075 0.000 1.176 1425 A CA 2.365 54.354 52.037 -0.080 0.000 0.631 1425 A CB -1.023 17.912 19.000 -0.108 0.000 0.814 1425 A HN 1.155 nan 8.150 nan 0.000 0.446 1426 A N -0.437 122.346 122.820 -0.062 0.000 1.877 1426 A HA -0.162 4.159 4.320 0.001 0.000 0.216 1426 A C 2.218 179.847 177.584 0.074 0.000 1.186 1426 A CA 1.821 53.872 52.037 0.024 0.000 0.620 1426 A CB -0.477 18.508 19.000 -0.026 0.000 0.822 1426 A HN 0.530 nan 8.150 nan 0.000 0.443 1427 R N -0.859 119.653 120.500 0.019 0.000 2.091 1427 R HA -0.118 4.222 4.340 0.001 0.000 0.238 1427 R C 2.266 178.591 176.300 0.042 0.000 1.136 1427 R CA 2.176 58.296 56.100 0.033 0.000 0.959 1427 R CB -0.616 29.689 30.300 0.008 0.000 0.856 1427 R HN 0.538 nan 8.270 nan 0.000 0.437 1428 T N -0.051 114.512 114.554 0.014 0.000 2.674 1428 T HA -0.128 4.222 4.350 0.001 0.000 0.265 1428 T C 1.812 176.526 174.700 0.022 0.000 1.039 1428 T CA 1.584 63.688 62.100 0.005 0.000 1.150 1428 T CB -0.249 68.603 68.868 -0.027 0.000 0.864 1428 T HN 0.014 nan 8.240 nan 0.000 0.427 1429 V N 1.745 121.672 119.914 0.021 0.000 2.237 1429 V HA -0.212 3.909 4.120 0.001 0.000 0.245 1429 V C 2.576 178.757 176.094 0.144 0.000 1.046 1429 V CA 1.861 64.188 62.300 0.044 0.000 1.007 1429 V CB -0.673 31.125 31.823 -0.042 0.000 0.638 1429 V HN 0.467 nan 8.190 nan 0.000 0.445 1430 M N -0.137 119.599 119.600 0.226 0.000 2.106 1430 M HA -0.214 4.266 4.480 0.001 0.000 0.259 1430 M C 2.414 178.824 176.300 0.183 0.000 1.068 1430 M CA 2.010 57.400 55.300 0.150 0.000 1.100 1430 M CB -0.673 31.996 32.600 0.116 0.000 1.351 1430 M HN 0.348 nan 8.290 nan 0.000 0.404 1431 S N 0.316 116.100 115.700 0.140 0.000 2.402 1431 S HA -0.112 4.359 4.470 0.001 0.000 0.233 1431 S C 1.677 176.337 174.600 0.100 0.000 1.030 1431 S CA 1.481 59.749 58.200 0.114 0.000 1.003 1431 S CB -0.247 62.993 63.200 0.067 0.000 0.813 1431 S HN 0.609 nan 8.310 nan 0.000 0.477 1432 A N -0.109 122.763 122.820 0.087 0.000 2.430 1432 A HA 0.465 4.785 4.320 0.001 0.000 0.243 1432 A C 0.707 178.335 177.584 0.075 0.000 1.254 1432 A CA -0.335 51.740 52.037 0.064 0.000 0.914 1432 A CB -0.006 19.015 19.000 0.036 0.000 0.998 1432 A HN 0.334 nan 8.150 nan 0.000 0.515 1433 L N 0.000 121.292 121.223 0.115 0.000 2.949 1433 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1433 L CA 0.000 54.898 54.840 0.097 0.000 0.813 1433 L CB 0.000 42.079 42.059 0.034 0.000 0.961 1433 L HN 0.000 nan 8.230 nan 0.000 0.502