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 2oec_1_D DATA FIRST_RESID 1003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQQEIPNAE TMKQTESHAV KIVVEAARRL DATA SEQUENCE L 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 1003 K HA 0.000 nan 4.320 nan 0.000 0.191 1003 K C 0.000 176.586 176.600 -0.023 0.000 0.988 1003 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 1003 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 1004 S N 0.625 116.307 115.700 -0.030 0.000 2.535 1004 S HA 0.542 5.025 4.470 0.022 0.000 0.272 1004 S C -0.936 173.654 174.600 -0.015 0.000 1.149 1004 S CA -0.251 57.932 58.200 -0.029 0.000 0.888 1004 S CB 1.546 64.705 63.200 -0.068 0.000 1.110 1004 S HN 0.556 nan 8.310 nan 0.000 0.463 1005 D N 1.572 121.973 120.400 0.001 0.000 2.350 1005 D HA 0.166 4.820 4.640 0.022 0.000 0.213 1005 D C 0.722 177.041 176.300 0.031 0.000 1.031 1005 D CA 0.851 54.861 54.000 0.016 0.000 0.861 1005 D CB 0.591 41.402 40.800 0.018 0.000 0.926 1005 D HN 0.490 nan 8.370 nan 0.000 0.520 1006 V N -2.461 117.469 119.914 0.027 0.000 2.962 1006 V HA 0.386 4.519 4.120 0.022 0.000 0.313 1006 V C 0.804 176.931 176.094 0.056 0.000 1.099 1006 V CA -1.047 61.290 62.300 0.062 0.000 0.971 1006 V CB 1.791 33.647 31.823 0.056 0.000 1.028 1006 V HN -0.171 nan 8.190 nan 0.000 0.430 1007 F N 1.245 121.172 119.950 -0.039 0.000 2.186 1007 F HA 0.019 4.560 4.527 0.023 0.000 0.299 1007 F C 1.891 177.536 175.800 -0.258 0.000 1.090 1007 F CA 2.510 60.422 58.000 -0.147 0.000 1.307 1007 F CB 0.024 38.924 39.000 -0.166 0.000 1.019 1007 F HN 0.845 nan 8.300 nan 0.000 0.489 1008 H N -2.196 116.861 119.070 -0.022 0.000 2.481 1008 H HA 0.161 4.730 4.556 0.023 0.000 0.291 1008 H C 1.718 176.982 175.328 -0.105 0.000 1.009 1008 H CA 0.672 56.669 56.048 -0.084 0.000 1.282 1008 H CB -0.197 29.517 29.762 -0.080 0.000 1.457 1008 H HN 0.042 nan 8.280 nan 0.000 0.525 1009 L N 0.062 121.279 121.223 -0.009 0.000 2.291 1009 L HA 0.162 4.515 4.340 0.022 0.000 0.214 1009 L C 1.255 178.220 176.870 0.159 0.000 1.120 1009 L CA 1.437 56.302 54.840 0.041 0.000 0.799 1009 L CB -0.819 41.227 42.059 -0.022 0.000 0.925 1009 L HN 0.554 nan 8.230 nan 0.000 0.446 1010 G N 0.012 108.818 108.800 0.010 0.000 2.295 1010 G HA2 -0.268 3.705 3.960 0.022 0.000 0.287 1010 G HA3 -0.268 3.705 3.960 0.022 0.000 0.287 1010 G C 0.082 175.029 174.900 0.077 0.000 1.055 1010 G CA 0.438 45.533 45.100 -0.008 0.000 0.922 1010 G HN 0.282 nan 8.290 nan 0.000 0.503 1011 L N -0.374 120.874 121.223 0.040 0.000 2.323 1011 L HA 0.858 5.211 4.340 0.022 0.000 0.265 1011 L C 0.834 177.715 176.870 0.018 0.000 1.012 1011 L CA -0.532 54.330 54.840 0.037 0.000 0.820 1011 L CB 2.347 44.432 42.059 0.043 0.000 1.334 1011 L HN 0.390 nan 8.230 nan 0.000 0.427 1012 T N -3.203 111.359 114.554 0.014 0.000 2.942 1012 T HA 0.304 4.668 4.350 0.022 0.000 0.289 1012 T C 0.566 175.273 174.700 0.011 0.000 1.044 1012 T CA -0.766 61.340 62.100 0.009 0.000 1.023 1012 T CB 2.164 71.034 68.868 0.003 0.000 1.123 1012 T HN 0.619 nan 8.240 nan 0.000 0.512 1013 K N 0.434 120.840 120.400 0.010 0.000 2.097 1013 K HA -0.153 4.180 4.320 0.022 0.000 0.206 1013 K C 2.130 178.732 176.600 0.005 0.000 1.049 1013 K CA 1.648 57.941 56.287 0.009 0.000 0.933 1013 K CB -0.357 32.149 32.500 0.010 0.000 0.717 1013 K HN 0.701 nan 8.250 nan 0.000 0.442 1014 N N 1.136 119.838 118.700 0.002 0.000 2.104 1014 N HA -0.202 4.551 4.740 0.022 0.000 0.190 1014 N C 1.196 176.704 175.510 -0.003 0.000 1.024 1014 N CA 2.023 55.072 53.050 -0.001 0.000 0.853 1014 N CB -0.135 38.350 38.487 -0.003 0.000 1.008 1014 N HN 0.164 nan 8.380 nan 0.000 0.424 1015 D N -0.343 120.056 120.400 -0.002 0.000 2.190 1015 D HA -0.142 4.511 4.640 0.022 0.000 0.200 1015 D C 1.641 177.939 176.300 -0.002 0.000 0.992 1015 D CA 0.760 54.757 54.000 -0.005 0.000 0.854 1015 D CB -0.175 40.624 40.800 -0.002 0.000 0.936 1015 D HN 0.308 nan 8.370 nan 0.000 0.462 1016 L N 0.317 121.541 121.223 0.002 0.000 2.240 1016 L HA -0.010 4.343 4.340 0.022 0.000 0.211 1016 L C 0.736 177.605 176.870 -0.001 0.000 1.106 1016 L CA 0.632 55.473 54.840 0.002 0.000 0.793 1016 L CB -0.252 41.808 42.059 0.001 0.000 0.927 1016 L HN -0.037 nan 8.230 nan 0.000 0.446 1017 Q N -0.207 119.591 119.800 -0.003 0.000 2.468 1017 Q HA -0.242 4.111 4.340 0.022 0.000 0.289 1017 Q C 1.140 177.137 176.000 -0.005 0.000 1.299 1017 Q CA 0.891 56.693 55.803 -0.003 0.000 0.838 1017 Q CB -2.371 26.366 28.738 -0.002 0.000 1.195 1017 Q HN 0.659 nan 8.270 nan 0.000 0.456 1018 G N -1.760 107.036 108.800 -0.006 0.000 2.148 1018 G HA2 -0.251 3.722 3.960 0.022 0.000 0.254 1018 G HA3 -0.251 3.722 3.960 0.022 0.000 0.254 1018 G C 0.354 175.244 174.900 -0.016 0.000 0.981 1018 G CA 0.518 45.612 45.100 -0.009 0.000 0.670 1018 G HN 1.240 nan 8.290 nan 0.000 0.528 1019 A N -0.617 122.191 122.820 -0.019 0.000 2.462 1019 A HA 0.630 4.964 4.320 0.022 0.000 0.243 1019 A C 0.985 178.537 177.584 -0.053 0.000 1.076 1019 A CA 1.201 53.219 52.037 -0.033 0.000 0.773 1019 A CB 0.330 19.313 19.000 -0.028 0.000 1.010 1019 A HN 0.566 nan 8.150 nan 0.000 0.493 1020 Q N 0.509 120.265 119.800 -0.072 0.000 2.140 1020 Q HA 0.345 4.698 4.340 0.022 0.000 0.227 1020 Q C -0.621 175.278 176.000 -0.169 0.000 0.798 1020 Q CA 0.003 55.745 55.803 -0.100 0.000 0.987 1020 Q CB 0.805 29.503 28.738 -0.066 0.000 1.161 1020 Q HN 0.721 nan 8.270 nan 0.000 0.480 1021 L N 0.508 121.633 121.223 -0.162 0.000 2.408 1021 L HA 0.861 5.214 4.340 0.022 0.000 0.268 1021 L C -1.792 174.962 176.870 -0.194 0.000 0.986 1021 L CA -0.669 54.048 54.840 -0.205 0.000 0.820 1021 L CB 1.698 43.685 42.059 -0.120 0.000 1.303 1021 L HN -0.071 nan 8.230 nan 0.000 0.411 1022 A N 5.559 128.217 122.820 -0.269 0.000 2.386 1022 A HA 0.754 5.087 4.320 0.022 0.000 0.311 1022 A C -1.030 176.532 177.584 -0.036 0.000 1.068 1022 A CA -0.621 51.337 52.037 -0.131 0.000 0.743 1022 A CB 1.275 20.201 19.000 -0.122 0.000 1.258 1022 A HN 0.666 nan 8.150 nan 0.000 0.429 1023 I N 2.202 122.783 120.570 0.018 0.000 2.336 1023 I HA 0.409 4.592 4.170 0.022 0.000 0.292 1023 I C -0.394 175.772 176.117 0.082 0.000 0.991 1023 I CA -0.797 60.530 61.300 0.045 0.000 1.227 1023 I CB 1.772 39.785 38.000 0.021 0.000 1.366 1023 I HN 0.437 nan 8.210 nan 0.000 0.466 1024 V N 4.697 124.674 119.914 0.105 0.000 2.276 1024 V HA 0.465 4.598 4.120 0.022 0.000 0.268 1024 V C -2.702 173.439 176.094 0.078 0.000 1.032 1024 V CA -2.037 60.335 62.300 0.120 0.000 0.810 1024 V CB 0.292 32.221 31.823 0.176 0.000 1.060 1024 V HN 0.459 nan 8.190 nan 0.000 0.446 1025 P HA 0.385 nan 4.420 nan 0.000 0.276 1025 P C 1.094 178.415 177.300 0.035 0.000 1.261 1025 P CA 0.211 63.331 63.100 0.033 0.000 0.800 1025 P CB 1.378 33.085 31.700 0.012 0.000 1.066 1026 G N -0.693 108.118 108.800 0.017 0.000 2.408 1026 G HA2 -0.069 3.904 3.960 0.022 0.000 0.213 1026 G HA3 -0.069 3.904 3.960 0.022 0.000 0.213 1026 G C 0.140 175.036 174.900 -0.008 0.000 1.177 1026 G CA 0.432 45.537 45.100 0.008 0.000 0.802 1026 G HN 0.501 nan 8.290 nan 0.000 0.533 1027 D N 0.920 121.311 120.400 -0.014 0.000 2.325 1027 D HA 0.211 4.865 4.640 0.022 0.000 0.251 1027 D C -0.993 175.296 176.300 -0.018 0.000 1.196 1027 D CA -2.432 51.552 54.000 -0.026 0.000 0.866 1027 D CB 1.896 42.677 40.800 -0.032 0.000 1.101 1027 D HN 0.021 nan 8.370 nan 0.000 0.476 1028 P HA -0.172 nan 4.420 nan 0.000 0.218 1028 P C 0.935 178.233 177.300 -0.002 0.000 1.146 1028 P CA 0.847 63.950 63.100 0.005 0.000 0.813 1028 P CB 0.420 32.116 31.700 -0.006 0.000 0.778 1029 E N -0.359 119.827 120.200 -0.023 0.000 2.435 1029 E HA -0.060 4.303 4.350 0.022 0.000 0.195 1029 E C 1.483 178.041 176.600 -0.071 0.000 1.029 1029 E CA 0.163 56.541 56.400 -0.037 0.000 0.865 1029 E CB 0.168 29.848 29.700 -0.034 0.000 0.833 1029 E HN 0.059 nan 8.360 nan 0.000 0.510 1030 R N 0.064 120.522 120.500 -0.069 0.000 2.317 1030 R HA 0.077 4.430 4.340 0.022 0.000 0.208 1030 R C 1.911 178.132 176.300 -0.131 0.000 0.914 1030 R CA 0.097 56.143 56.100 -0.090 0.000 1.060 1030 R CB 0.115 30.379 30.300 -0.060 0.000 1.015 1030 R HN 0.084 nan 8.270 nan 0.000 0.498 1031 V N 1.040 120.868 119.914 -0.144 0.000 2.270 1031 V HA -0.218 3.916 4.120 0.022 0.000 0.245 1031 V C 2.463 178.267 176.094 -0.483 0.000 1.043 1031 V CA 1.977 64.158 62.300 -0.198 0.000 1.014 1031 V CB -0.394 31.384 31.823 -0.074 0.000 0.645 1031 V HN 0.335 nan 8.190 nan 0.000 0.447 1032 E N 0.440 120.191 120.200 -0.747 0.000 2.077 1032 E HA -0.264 4.100 4.350 0.022 0.000 0.193 1032 E C 2.237 178.441 176.600 -0.660 0.000 0.989 1032 E CA 1.437 57.094 56.400 -1.238 0.000 0.800 1032 E CB -0.069 28.987 29.700 -1.073 0.000 0.746 1032 E HN 0.562 nan 8.360 nan 0.000 0.452 1033 K N 0.181 120.351 120.400 -0.383 0.000 2.097 1033 K HA -0.124 4.209 4.320 0.022 0.000 0.206 1033 K C 2.230 178.713 176.600 -0.196 0.000 1.049 1033 K CA 1.338 57.482 56.287 -0.237 0.000 0.933 1033 K CB -0.097 32.308 32.500 -0.159 0.000 0.717 1033 K HN 0.304 nan 8.250 nan 0.000 0.442 1034 I N 0.825 121.278 120.570 -0.195 0.000 2.233 1034 I HA -0.204 3.979 4.170 0.022 0.000 0.243 1034 I C 2.486 178.525 176.117 -0.131 0.000 1.093 1034 I CA 0.872 62.094 61.300 -0.130 0.000 1.380 1034 I CB -0.391 37.551 38.000 -0.095 0.000 1.067 1034 I HN 0.103 nan 8.210 nan 0.000 0.413 1035 A N 0.813 123.512 122.820 -0.201 0.000 2.019 1035 A HA -0.080 4.253 4.320 0.022 0.000 0.219 1035 A C 2.445 179.972 177.584 -0.095 0.000 1.164 1035 A CA 1.567 53.528 52.037 -0.126 0.000 0.644 1035 A CB -0.599 18.317 19.000 -0.141 0.000 0.805 1035 A HN 0.434 nan 8.150 nan 0.000 0.449 1036 A N -0.497 122.225 122.820 -0.164 0.000 2.121 1036 A HA 0.124 4.457 4.320 0.022 0.000 0.218 1036 A C 1.880 179.433 177.584 -0.051 0.000 1.154 1036 A CA 0.938 52.916 52.037 -0.098 0.000 0.679 1036 A CB -0.453 18.468 19.000 -0.131 0.000 0.795 1036 A HN 0.476 nan 8.150 nan 0.000 0.458 1037 L N -1.260 119.931 121.223 -0.054 0.000 2.478 1037 L HA 0.078 4.431 4.340 0.022 0.000 0.223 1037 L C 0.953 177.814 176.870 -0.016 0.000 1.140 1037 L CA 0.210 55.030 54.840 -0.033 0.000 0.842 1037 L CB -0.311 41.726 42.059 -0.036 0.000 0.953 1037 L HN 0.443 nan 8.230 nan 0.000 0.452 1038 M N -1.567 118.029 119.600 -0.007 0.000 2.849 1038 M HA 0.292 4.785 4.480 0.022 0.000 0.299 1038 M C -0.622 175.690 176.300 0.020 0.000 1.223 1038 M CA -0.902 54.403 55.300 0.007 0.000 0.856 1038 M CB 1.275 33.882 32.600 0.013 0.000 1.680 1038 M HN -0.191 nan 8.290 nan 0.000 0.506 1039 D N 1.213 121.626 120.400 0.023 0.000 2.341 1039 D HA 0.147 4.800 4.640 0.022 0.000 0.245 1039 D C -0.438 175.888 176.300 0.043 0.000 1.106 1039 D CA 0.090 54.107 54.000 0.028 0.000 0.905 1039 D CB 0.583 41.395 40.800 0.019 0.000 1.202 1039 D HN 0.437 nan 8.370 nan 0.000 0.426 1040 K N -0.285 120.144 120.400 0.047 0.000 3.451 1040 K HA -0.139 4.194 4.320 0.022 0.000 0.273 1040 K C -2.354 174.301 176.600 0.092 0.000 0.944 1040 K CA 0.074 56.395 56.287 0.056 0.000 0.734 1040 K CB -1.261 31.261 32.500 0.037 0.000 1.437 1040 K HN 0.362 nan 8.250 nan 0.000 0.454 1041 P HA 0.182 nan 4.420 nan 0.000 0.276 1041 P C -0.534 176.945 177.300 0.298 0.000 1.230 1041 P CA -0.215 63.047 63.100 0.269 0.000 0.776 1041 P CB 1.644 33.515 31.700 0.285 0.000 0.888 1042 V N 3.391 123.442 119.914 0.228 0.000 2.851 1042 V HA 0.277 4.410 4.120 0.022 0.000 0.307 1042 V C -0.458 175.258 176.094 -0.629 0.000 1.129 1042 V CA -1.035 61.168 62.300 -0.161 0.000 0.932 1042 V CB 2.417 34.171 31.823 -0.115 0.000 1.024 1042 V HN 0.411 nan 8.190 nan 0.000 0.426 1043 K N 4.836 124.433 120.400 -1.338 0.000 2.412 1043 K HA 0.283 4.616 4.320 0.022 0.000 0.281 1043 K C 0.198 176.403 176.600 -0.659 0.000 1.027 1043 K CA 0.214 55.560 56.287 -1.568 0.000 0.989 1043 K CB 1.058 32.794 32.500 -1.273 0.000 0.935 1043 K HN 0.748 nan 8.250 nan 0.000 0.475 1044 L N 1.888 122.837 121.223 -0.457 0.000 2.471 1044 L HA 0.279 4.632 4.340 0.022 0.000 0.186 1044 L C 0.727 177.506 176.870 -0.152 0.000 1.191 1044 L CA 0.239 54.956 54.840 -0.205 0.000 0.835 1044 L CB -0.046 41.963 42.059 -0.084 0.000 1.092 1044 L HN 0.665 nan 8.230 nan 0.000 0.495 1045 A N -1.212 121.546 122.820 -0.104 0.000 2.583 1045 A HA 0.703 5.036 4.320 0.022 0.000 0.289 1045 A C -1.092 176.420 177.584 -0.119 0.000 1.151 1045 A CA -0.297 51.680 52.037 -0.100 0.000 0.695 1045 A CB 1.908 20.929 19.000 0.034 0.000 1.290 1045 A HN -0.035 nan 8.150 nan 0.000 0.419 1046 S N 0.318 115.819 115.700 -0.331 0.000 2.536 1046 S HA 0.552 5.035 4.470 0.022 0.000 0.246 1046 S C -1.910 172.406 174.600 -0.473 0.000 1.077 1046 S CA -0.497 57.565 58.200 -0.230 0.000 1.091 1046 S CB 0.111 63.229 63.200 -0.136 0.000 1.148 1046 S HN 0.719 nan 8.310 nan 0.000 0.447 1047 H N 3.853 123.007 119.070 0.139 0.000 2.782 1047 H HA 0.552 5.121 4.556 0.022 0.000 0.347 1047 H C 0.648 176.075 175.328 0.165 0.000 1.038 1047 H CA -0.474 55.657 56.048 0.139 0.000 1.255 1047 H CB 1.517 31.367 29.762 0.146 0.000 1.623 1047 H HN 0.756 nan 8.280 nan 0.000 0.525 1048 R N 0.736 121.341 120.500 0.175 0.000 3.869 1048 R HA -0.222 4.131 4.340 0.022 0.000 0.424 1048 R C 0.855 177.076 176.300 -0.132 0.000 0.241 1048 R CA 1.803 57.917 56.100 0.023 0.000 1.351 1048 R CB -0.920 29.410 30.300 0.052 0.000 0.979 1048 R HN 0.708 nan 8.270 nan 0.000 0.572 1049 E N 2.130 122.066 120.200 -0.440 0.000 2.463 1049 E HA 0.078 4.442 4.350 0.022 0.000 0.193 1049 E C -0.206 176.139 176.600 -0.426 0.000 1.041 1049 E CA 0.413 56.546 56.400 -0.444 0.000 0.879 1049 E CB 0.195 29.609 29.700 -0.477 0.000 0.997 1049 E HN 0.323 nan 8.360 nan 0.000 0.478 1050 F N 1.747 121.745 119.950 0.081 0.000 2.303 1050 F HA 0.322 4.861 4.527 0.021 0.000 0.368 1050 F C 0.169 176.021 175.800 0.086 0.000 1.105 1050 F CA -0.619 57.436 58.000 0.092 0.000 1.153 1050 F CB 1.353 40.427 39.000 0.123 0.000 1.362 1050 F HN -0.334 nan 8.300 nan 0.000 0.511 1051 T N 2.086 116.772 114.554 0.220 0.000 2.749 1051 T HA 0.499 4.862 4.350 0.022 0.000 0.287 1051 T C -0.158 174.692 174.700 0.250 0.000 0.970 1051 T CA -0.730 61.488 62.100 0.197 0.000 0.980 1051 T CB 0.912 69.887 68.868 0.178 0.000 0.924 1051 T HN 0.512 nan 8.240 nan 0.000 0.456 1052 S N 2.428 118.270 115.700 0.236 0.000 2.500 1052 S HA 0.759 5.242 4.470 0.022 0.000 0.301 1052 S C -1.493 173.271 174.600 0.273 0.000 1.092 1052 S CA -0.997 57.348 58.200 0.242 0.000 1.030 1052 S CB 1.131 64.423 63.200 0.154 0.000 1.031 1052 S HN 0.647 nan 8.310 nan 0.000 0.483 1053 W N 1.384 122.698 121.300 0.024 0.000 2.844 1053 W HA 0.652 5.325 4.660 0.021 0.000 0.340 1053 W C 0.261 176.786 176.519 0.010 0.000 1.093 1053 W CA -0.838 56.514 57.345 0.012 0.000 1.212 1053 W CB 1.880 31.345 29.460 0.008 0.000 1.422 1053 W HN 0.812 nan 8.180 nan 0.000 0.515 1054 R N 1.695 122.308 120.500 0.188 0.000 2.720 1054 R HA 0.925 5.278 4.340 0.022 0.000 0.272 1054 R C -0.632 175.755 176.300 0.146 0.000 0.991 1054 R CA -0.298 55.876 56.100 0.123 0.000 1.010 1054 R CB 1.532 31.861 30.300 0.049 0.000 1.141 1054 R HN 0.644 nan 8.270 nan 0.000 0.494 1055 A N 1.927 124.806 122.820 0.098 0.000 2.524 1055 A HA 0.464 4.797 4.320 0.022 0.000 0.303 1055 A C -1.683 175.929 177.584 0.046 0.000 1.195 1055 A CA -0.752 51.337 52.037 0.085 0.000 0.651 1055 A CB 1.610 20.666 19.000 0.094 0.000 1.323 1055 A HN 0.712 nan 8.150 nan 0.000 0.479 1056 E N -0.135 120.087 120.200 0.036 0.000 2.256 1056 E HA 0.590 4.953 4.350 0.022 0.000 0.268 1056 E C -1.864 174.744 176.600 0.013 0.000 0.877 1056 E CA -0.387 56.025 56.400 0.020 0.000 0.757 1056 E CB 2.234 31.945 29.700 0.019 0.000 1.183 1056 E HN 0.465 nan 8.360 nan 0.000 0.418 1057 L N 3.389 124.616 121.223 0.006 0.000 2.349 1057 L HA 0.273 4.626 4.340 0.022 0.000 0.278 1057 L C -0.762 176.107 176.870 -0.001 0.000 0.996 1057 L CA -0.477 54.364 54.840 0.001 0.000 0.825 1057 L CB 1.373 43.430 42.059 -0.004 0.000 1.243 1057 L HN 0.622 nan 8.230 nan 0.000 0.412 1058 D N 3.781 124.181 120.400 -0.001 0.000 2.701 1058 D HA -0.212 4.441 4.640 0.022 0.000 0.235 1058 D C 1.105 177.404 176.300 -0.001 0.000 1.155 1058 D CA 1.450 55.449 54.000 -0.001 0.000 0.649 1058 D CB -0.746 40.051 40.800 -0.004 0.000 1.050 1058 D HN 1.101 nan 8.370 nan 0.000 0.425 1059 G N -0.865 107.935 108.800 0.001 0.000 2.179 1059 G HA2 -0.367 3.607 3.960 0.022 0.000 0.260 1059 G HA3 -0.367 3.607 3.960 0.022 0.000 0.260 1059 G C 0.274 175.174 174.900 -0.000 0.000 0.977 1059 G CA 0.754 45.855 45.100 0.001 0.000 0.641 1059 G HN 0.498 nan 8.290 nan 0.000 0.533 1060 K N 0.510 120.908 120.400 -0.002 0.000 2.221 1060 K HA 0.730 5.063 4.320 0.022 0.000 0.258 1060 K C 0.415 177.013 176.600 -0.003 0.000 0.944 1060 K CA -0.106 56.178 56.287 -0.005 0.000 0.823 1060 K CB 1.941 34.435 32.500 -0.009 0.000 1.113 1060 K HN 0.498 nan 8.250 nan 0.000 0.431 1061 A N 2.330 125.148 122.820 -0.004 0.000 2.454 1061 A HA 0.325 4.658 4.320 0.022 0.000 0.260 1061 A C -0.331 177.249 177.584 -0.006 0.000 1.106 1061 A CA -0.233 51.804 52.037 -0.000 0.000 0.780 1061 A CB 0.161 19.160 19.000 -0.001 0.000 1.044 1061 A HN 0.421 nan 8.150 nan 0.000 0.498 1062 V N 4.573 124.490 119.914 0.004 0.000 2.656 1062 V HA 0.350 4.484 4.120 0.022 0.000 0.307 1062 V C -0.311 175.795 176.094 0.020 0.000 1.051 1062 V CA -0.685 61.614 62.300 -0.002 0.000 0.893 1062 V CB 1.731 33.554 31.823 -0.001 0.000 0.999 1062 V HN 0.741 nan 8.190 nan 0.000 0.426 1063 I N 4.340 124.914 120.570 0.007 0.000 2.428 1063 I HA 0.500 4.683 4.170 0.022 0.000 0.296 1063 I C -0.193 175.959 176.117 0.058 0.000 0.985 1063 I CA -0.453 60.872 61.300 0.042 0.000 1.260 1063 I CB 1.820 39.835 38.000 0.025 0.000 1.389 1063 I HN 0.259 nan 8.210 nan 0.000 0.484 1064 V N 5.212 125.190 119.914 0.107 0.000 2.444 1064 V HA 0.450 4.583 4.120 0.022 0.000 0.294 1064 V C -0.480 175.702 176.094 0.147 0.000 1.022 1064 V CA -0.483 61.878 62.300 0.102 0.000 0.850 1064 V CB 2.120 33.984 31.823 0.069 0.000 0.992 1064 V HN 0.918 nan 8.190 nan 0.000 0.426 1065 C N 4.830 124.213 119.300 0.138 0.000 2.701 1065 C HA 0.718 5.192 4.460 0.022 0.000 0.336 1065 C C 0.447 175.539 174.990 0.168 0.000 1.123 1065 C CA -0.315 58.808 59.018 0.174 0.000 1.326 1065 C CB 1.250 29.098 27.740 0.180 0.000 1.833 1065 C HN 1.050 nan 8.230 nan 0.000 0.473 1066 S N 3.209 119.014 115.700 0.176 0.000 2.603 1066 S HA 0.442 4.926 4.470 0.022 0.000 0.268 1066 S C 0.898 175.626 174.600 0.214 0.000 1.317 1066 S CA 0.365 58.649 58.200 0.140 0.000 1.012 1066 S CB 1.340 64.589 63.200 0.081 0.000 0.926 1066 S HN 1.063 nan 8.310 nan 0.000 0.539 1067 T N -2.009 112.631 114.554 0.143 0.000 2.990 1067 T HA 0.534 4.897 4.350 0.022 0.000 0.249 1067 T C 1.181 175.912 174.700 0.052 0.000 1.039 1067 T CA 0.337 62.545 62.100 0.180 0.000 1.036 1067 T CB -0.839 68.093 68.868 0.107 0.000 0.994 1067 T HN 1.889 nan 8.240 nan 0.000 0.489 1068 G N 1.607 110.384 108.800 -0.037 0.000 2.741 1068 G HA2 -0.127 3.847 3.960 0.022 0.000 0.222 1068 G HA3 -0.127 3.847 3.960 0.022 0.000 0.222 1068 G C -0.617 174.257 174.900 -0.044 0.000 1.364 1068 G CA -0.474 44.569 45.100 -0.096 0.000 0.866 1068 G HN 0.642 nan 8.290 nan 0.000 0.555 1069 I N 2.352 122.890 120.570 -0.053 0.000 2.352 1069 I HA 0.532 4.715 4.170 0.022 0.000 0.290 1069 I C 1.057 177.164 176.117 -0.017 0.000 1.036 1069 I CA 1.055 62.337 61.300 -0.030 0.000 1.336 1069 I CB 0.488 38.464 38.000 -0.041 0.000 1.407 1069 I HN 1.939 nan 8.210 nan 0.000 0.497 1070 G N 3.944 112.742 108.800 -0.004 0.000 2.570 1070 G HA2 -0.076 3.897 3.960 0.022 0.000 0.686 1070 G HA3 -0.076 3.897 3.960 0.022 0.000 0.686 1070 G C 0.502 175.403 174.900 0.002 0.000 1.257 1070 G CA -0.473 44.627 45.100 0.000 0.000 0.846 1070 G HN 0.856 nan 8.290 nan 0.000 0.627 1071 G N 0.269 109.068 108.800 -0.002 0.000 2.440 1071 G HA2 0.071 4.045 3.960 0.022 0.000 0.218 1071 G HA3 0.071 4.045 3.960 0.022 0.000 0.218 1071 G C 0.150 175.051 174.900 0.002 0.000 1.154 1071 G CA 2.148 47.245 45.100 -0.005 0.000 0.767 1071 G HN 0.694 nan 8.290 nan 0.000 0.552 1072 P HA -0.122 nan 4.420 nan 0.000 0.215 1072 P C 2.440 179.763 177.300 0.038 0.000 1.157 1072 P CA 2.380 65.478 63.100 -0.003 0.000 0.868 1072 P CB -0.235 31.459 31.700 -0.011 0.000 0.788 1073 S N -2.147 113.592 115.700 0.065 0.000 2.406 1073 S HA -0.098 4.386 4.470 0.022 0.000 0.228 1073 S C 1.937 176.671 174.600 0.225 0.000 1.020 1073 S CA 1.641 59.947 58.200 0.177 0.000 0.965 1073 S CB -1.928 61.319 63.200 0.079 0.000 0.798 1073 S HN 0.073 nan 8.310 nan 0.000 0.488 1074 T N 3.076 117.693 114.554 0.104 0.000 2.746 1074 T HA -0.116 4.247 4.350 0.022 0.000 0.267 1074 T C 2.335 177.027 174.700 -0.012 0.000 1.039 1074 T CA 1.887 64.019 62.100 0.054 0.000 1.142 1074 T CB -0.729 68.137 68.868 -0.002 0.000 0.866 1074 T HN 0.800 nan 8.240 nan 0.000 0.444 1075 S N 1.303 116.999 115.700 -0.008 0.000 2.399 1075 S HA -0.027 4.457 4.470 0.022 0.000 0.231 1075 S C 2.084 176.675 174.600 -0.014 0.000 1.022 1075 S CA 0.747 58.941 58.200 -0.010 0.000 0.983 1075 S CB -0.757 62.526 63.200 0.139 0.000 0.803 1075 S HN 0.505 nan 8.310 nan 0.000 0.480 1076 I N 2.296 122.846 120.570 -0.034 0.000 2.142 1076 I HA -0.136 4.047 4.170 0.022 0.000 0.240 1076 I C 3.149 179.138 176.117 -0.213 0.000 1.078 1076 I CA 1.226 62.437 61.300 -0.149 0.000 1.343 1076 I CB -0.779 37.044 38.000 -0.294 0.000 1.046 1076 I HN 0.434 nan 8.210 nan 0.000 0.405 1077 A N 0.467 123.160 122.820 -0.212 0.000 1.902 1077 A HA -0.150 4.184 4.320 0.022 0.000 0.217 1077 A C 2.422 179.968 177.584 -0.063 0.000 1.181 1077 A CA 1.799 53.727 52.037 -0.181 0.000 0.623 1077 A CB -0.963 18.052 19.000 0.025 0.000 0.818 1077 A HN 0.252 nan 8.150 nan 0.000 0.443 1078 V N 0.139 119.971 119.914 -0.136 0.000 2.307 1078 V HA -0.235 3.898 4.120 0.022 0.000 0.245 1078 V C 2.624 178.625 176.094 -0.154 0.000 1.045 1078 V CA 2.409 64.510 62.300 -0.333 0.000 1.024 1078 V CB -0.757 30.686 31.823 -0.633 0.000 0.651 1078 V HN 0.746 nan 8.190 nan 0.000 0.449 1079 E N 1.066 121.208 120.200 -0.096 0.000 2.038 1079 E HA -0.251 4.112 4.350 0.022 0.000 0.195 1079 E C 2.092 178.716 176.600 0.040 0.000 1.000 1079 E CA 2.080 58.479 56.400 -0.002 0.000 0.803 1079 E CB -0.337 29.389 29.700 0.043 0.000 0.750 1079 E HN 0.685 nan 8.360 nan 0.000 0.448 1080 E N -0.120 120.091 120.200 0.018 0.000 2.152 1080 E HA -0.094 4.269 4.350 0.022 0.000 0.192 1080 E C 2.314 178.953 176.600 0.065 0.000 0.983 1080 E CA 0.805 57.225 56.400 0.034 0.000 0.818 1080 E CB -0.112 29.587 29.700 -0.002 0.000 0.758 1080 E HN 0.313 nan 8.360 nan 0.000 0.467 1081 L N 0.708 121.996 121.223 0.107 0.000 2.056 1081 L HA -0.151 4.202 4.340 0.022 0.000 0.207 1081 L C 2.612 179.593 176.870 0.185 0.000 1.078 1081 L CA 0.908 55.848 54.840 0.167 0.000 0.749 1081 L CB -0.443 41.798 42.059 0.303 0.000 0.901 1081 L HN 0.135 nan 8.230 nan 0.000 0.433 1082 A N -0.474 122.502 122.820 0.260 0.000 1.940 1082 A HA -0.261 4.072 4.320 0.022 0.000 0.219 1082 A C 2.205 179.855 177.584 0.110 0.000 1.176 1082 A CA 1.576 53.741 52.037 0.213 0.000 0.631 1082 A CB -0.451 18.666 19.000 0.194 0.000 0.814 1082 A HN 0.484 nan 8.150 nan 0.000 0.446 1083 Q N -1.205 118.648 119.800 0.089 0.000 2.124 1083 Q HA -0.105 4.248 4.340 0.022 0.000 0.202 1083 Q C 1.395 177.425 176.000 0.050 0.000 0.977 1083 Q CA 1.059 56.900 55.803 0.062 0.000 0.850 1083 Q CB -0.199 28.573 28.738 0.057 0.000 0.901 1083 Q HN 0.481 nan 8.270 nan 0.000 0.429 1084 L N -1.298 119.955 121.223 0.051 0.000 2.599 1084 L HA 0.104 4.457 4.340 0.022 0.000 0.230 1084 L C 1.313 178.197 176.870 0.023 0.000 1.141 1084 L CA 1.523 56.384 54.840 0.034 0.000 0.877 1084 L CB 0.083 42.162 42.059 0.034 0.000 1.009 1084 L HN 0.398 nan 8.230 nan 0.000 0.447 1085 G N -1.761 107.054 108.800 0.026 0.000 2.227 1085 G HA2 -0.160 3.813 3.960 0.022 0.000 0.168 1085 G HA3 -0.160 3.813 3.960 0.022 0.000 0.168 1085 G C 0.339 175.224 174.900 -0.025 0.000 1.006 1085 G CA -0.483 44.620 45.100 0.006 0.000 0.684 1085 G HN 0.050 nan 8.290 nan 0.000 0.489 1086 I N 1.110 121.653 120.570 -0.045 0.000 2.648 1086 I HA 0.334 4.517 4.170 0.022 0.000 0.284 1086 I C 1.289 177.310 176.117 -0.161 0.000 1.153 1086 I CA 0.302 61.483 61.300 -0.198 0.000 1.426 1086 I CB 0.982 38.742 38.000 -0.400 0.000 1.381 1086 I HN 0.087 nan 8.210 nan 0.000 0.571 1087 R N 2.664 123.032 120.500 -0.219 0.000 2.513 1087 R HA 0.194 4.547 4.340 0.022 0.000 0.245 1087 R C -0.199 176.054 176.300 -0.079 0.000 0.908 1087 R CA 0.223 56.285 56.100 -0.063 0.000 1.023 1087 R CB 0.572 30.858 30.300 -0.023 0.000 1.338 1087 R HN 0.540 nan 8.270 nan 0.000 0.575 1088 T N 1.322 115.705 114.554 -0.285 0.000 2.848 1088 T HA 0.603 4.966 4.350 0.022 0.000 0.285 1088 T C -1.080 173.379 174.700 -0.400 0.000 0.995 1088 T CA -0.265 61.727 62.100 -0.179 0.000 0.970 1088 T CB 1.304 70.110 68.868 -0.103 0.000 0.976 1088 T HN -0.174 nan 8.240 nan 0.000 0.441 1089 F N 2.523 122.469 119.950 -0.006 0.000 2.493 1089 F HA 0.589 5.130 4.527 0.025 0.000 0.329 1089 F C -0.290 175.506 175.800 -0.007 0.000 1.126 1089 F CA -1.057 56.939 58.000 -0.006 0.000 0.937 1089 F CB 1.442 40.434 39.000 -0.013 0.000 1.146 1089 F HN 0.211 nan 8.300 nan 0.000 0.442 1090 L N 4.022 125.328 121.223 0.138 0.000 2.318 1090 L HA 0.509 4.863 4.340 0.022 0.000 0.277 1090 L C -0.195 176.725 176.870 0.083 0.000 1.008 1090 L CA -0.716 54.174 54.840 0.082 0.000 0.846 1090 L CB 1.740 43.819 42.059 0.033 0.000 1.220 1090 L HN 0.563 nan 8.230 nan 0.000 0.423 1091 R N 3.957 124.500 120.500 0.072 0.000 2.234 1091 R HA 0.499 4.852 4.340 0.022 0.000 0.324 1091 R C -0.838 175.483 176.300 0.034 0.000 1.054 1091 R CA -0.206 55.926 56.100 0.054 0.000 0.912 1091 R CB 0.925 31.249 30.300 0.039 0.000 1.030 1091 R HN 0.636 nan 8.270 nan 0.000 0.455 1092 I N 4.023 124.611 120.570 0.029 0.000 2.412 1092 I HA 0.679 4.862 4.170 0.022 0.000 0.296 1092 I C -0.494 175.633 176.117 0.016 0.000 0.987 1092 I CA -0.230 61.081 61.300 0.019 0.000 1.180 1092 I CB 1.604 39.612 38.000 0.013 0.000 1.340 1092 I HN 0.819 nan 8.210 nan 0.000 0.455 1093 G N 3.801 112.609 108.800 0.014 0.000 2.727 1093 G HA2 0.620 4.593 3.960 0.022 0.000 0.289 1093 G HA3 0.620 4.593 3.960 0.022 0.000 0.289 1093 G C -1.140 173.768 174.900 0.015 0.000 1.418 1093 G CA -0.413 44.695 45.100 0.013 0.000 0.818 1093 G HN 0.613 nan 8.290 nan 0.000 0.486 1094 T N -2.733 111.830 114.554 0.016 0.000 2.950 1094 T HA 0.811 5.174 4.350 0.022 0.000 0.288 1094 T C -0.322 174.393 174.700 0.025 0.000 1.035 1094 T CA -0.675 61.437 62.100 0.019 0.000 1.028 1094 T CB 2.150 71.028 68.868 0.017 0.000 1.109 1094 T HN 1.033 nan 8.240 nan 0.000 0.514 1095 T N -0.841 113.728 114.554 0.025 0.000 2.830 1095 T HA 0.624 4.987 4.350 0.022 0.000 0.322 1095 T C -0.782 173.931 174.700 0.021 0.000 1.501 1095 T CA -0.382 61.733 62.100 0.026 0.000 1.036 1095 T CB 1.263 70.138 68.868 0.010 0.000 1.379 1095 T HN 1.192 nan 8.240 nan 0.000 0.493 1096 G N 1.439 110.254 108.800 0.026 0.000 2.335 1096 G HA2 0.667 4.640 3.960 0.022 0.000 0.316 1096 G HA3 0.667 4.640 3.960 0.022 0.000 0.316 1096 G C -0.109 174.787 174.900 -0.006 0.000 1.129 1096 G CA -0.173 44.937 45.100 0.016 0.000 0.899 1096 G HN 0.969 nan 8.290 nan 0.000 0.448 1097 A N 2.212 125.007 122.820 -0.042 0.000 2.316 1097 A HA 0.585 4.918 4.320 0.022 0.000 0.284 1097 A C 1.047 178.584 177.584 -0.077 0.000 1.115 1097 A CA -0.643 51.338 52.037 -0.094 0.000 0.812 1097 A CB 0.400 19.309 19.000 -0.151 0.000 1.064 1097 A HN 1.218 nan 8.150 nan 0.000 0.489 1098 I N -1.966 118.539 120.570 -0.108 0.000 4.025 1098 I HA 0.246 4.430 4.170 0.022 0.000 0.336 1098 I C -0.266 175.808 176.117 -0.070 0.000 1.390 1098 I CA -0.245 61.016 61.300 -0.066 0.000 1.099 1098 I CB 0.160 38.111 38.000 -0.081 0.000 1.049 1098 I HN 0.332 nan 8.210 nan 0.000 0.394 1099 Q N 1.909 121.626 119.800 -0.138 0.000 2.293 1099 Q HA 0.385 4.738 4.340 0.022 0.000 0.261 1099 Q C -1.941 173.952 176.000 -0.178 0.000 0.960 1099 Q CA -1.869 53.846 55.803 -0.147 0.000 0.882 1099 Q CB 2.059 30.639 28.738 -0.262 0.000 1.275 1099 Q HN -0.023 nan 8.270 nan 0.000 0.445 1100 P HA -0.194 nan 4.420 nan 0.000 0.215 1100 P C 0.947 178.223 177.300 -0.039 0.000 1.157 1100 P CA 1.553 64.642 63.100 -0.019 0.000 0.874 1100 P CB -0.001 31.728 31.700 0.047 0.000 0.790 1101 H N -1.423 117.630 119.070 -0.029 0.000 2.563 1101 H HA 0.097 4.666 4.556 0.021 0.000 0.272 1101 H C 0.344 175.645 175.328 -0.045 0.000 1.005 1101 H CA 0.184 56.225 56.048 -0.011 0.000 1.171 1101 H CB -0.812 28.961 29.762 0.018 0.000 1.351 1101 H HN 0.160 nan 8.280 nan 0.000 0.602 1102 I N 2.794 123.047 120.570 -0.529 0.000 2.336 1102 I HA 0.126 4.310 4.170 0.022 0.000 0.292 1102 I C -0.262 175.743 176.117 -0.187 0.000 0.991 1102 I CA -0.696 60.319 61.300 -0.475 0.000 1.227 1102 I CB 1.248 38.849 38.000 -0.666 0.000 1.366 1102 I HN 0.090 nan 8.210 nan 0.000 0.466 1103 N N 4.973 123.632 118.700 -0.069 0.000 2.472 1103 N HA 0.332 5.085 4.740 0.022 0.000 0.289 1103 N C -0.579 174.925 175.510 -0.009 0.000 1.156 1103 N CA -0.634 52.405 53.050 -0.019 0.000 0.940 1103 N CB 2.231 40.732 38.487 0.023 0.000 1.200 1103 N HN 0.173 nan 8.380 nan 0.000 0.511 1104 V N 0.989 120.903 119.914 0.000 0.000 2.493 1104 V HA 0.286 4.419 4.120 0.022 0.000 0.292 1104 V C 1.444 177.558 176.094 0.033 0.000 1.016 1104 V CA 1.297 63.605 62.300 0.013 0.000 1.097 1104 V CB -0.040 31.791 31.823 0.015 0.000 0.947 1104 V HN 1.095 nan 8.190 nan 0.000 0.479 1105 G N 3.880 112.709 108.800 0.047 0.000 2.316 1105 G HA2 -0.156 3.818 3.960 0.022 0.000 0.203 1105 G HA3 -0.156 3.818 3.960 0.022 0.000 0.203 1105 G C 0.002 174.942 174.900 0.067 0.000 0.999 1105 G CA -0.142 45.005 45.100 0.078 0.000 0.649 1105 G HN 0.620 nan 8.290 nan 0.000 0.489 1106 D N 0.202 120.635 120.400 0.055 0.000 2.363 1106 D HA 0.496 5.149 4.640 0.022 0.000 0.240 1106 D C 0.406 176.744 176.300 0.063 0.000 1.236 1106 D CA 0.266 54.310 54.000 0.073 0.000 0.927 1106 D CB 1.607 42.498 40.800 0.152 0.000 1.150 1106 D HN 0.229 nan 8.370 nan 0.000 0.458 1107 V N 1.304 121.259 119.914 0.069 0.000 2.540 1107 V HA 0.355 4.488 4.120 0.022 0.000 0.302 1107 V C -0.137 176.005 176.094 0.079 0.000 1.035 1107 V CA -0.742 61.588 62.300 0.050 0.000 0.873 1107 V CB 1.610 33.439 31.823 0.010 0.000 0.992 1107 V HN 0.259 nan 8.190 nan 0.000 0.428 1108 L N 5.017 126.273 121.223 0.054 0.000 2.313 1108 L HA 0.665 5.018 4.340 0.022 0.000 0.283 1108 L C -0.717 176.171 176.870 0.030 0.000 1.013 1108 L CA -0.825 54.047 54.840 0.053 0.000 0.816 1108 L CB 1.913 43.984 42.059 0.019 0.000 1.236 1108 L HN 0.324 nan 8.230 nan 0.000 0.419 1109 V N 1.678 121.611 119.914 0.031 0.000 2.384 1109 V HA 0.297 4.431 4.120 0.022 0.000 0.287 1109 V C 0.243 176.345 176.094 0.014 0.000 1.020 1109 V CA -0.450 61.858 62.300 0.014 0.000 0.850 1109 V CB 1.695 33.520 31.823 0.003 0.000 0.987 1109 V HN 0.733 nan 8.190 nan 0.000 0.436 1110 T N 3.460 118.018 114.554 0.006 0.000 2.749 1110 T HA 0.190 4.553 4.350 0.022 0.000 0.295 1110 T C 1.364 176.068 174.700 0.008 0.000 0.936 1110 T CA 0.221 62.321 62.100 0.001 0.000 1.060 1110 T CB 1.149 70.012 68.868 -0.008 0.000 0.904 1110 T HN 0.975 nan 8.240 nan 0.000 0.500 1111 T N 0.906 115.467 114.554 0.012 0.000 2.896 1111 T HA 0.442 4.805 4.350 0.022 0.000 0.263 1111 T C 0.742 175.452 174.700 0.018 0.000 1.050 1111 T CA 0.318 62.432 62.100 0.024 0.000 1.140 1111 T CB 0.141 69.028 68.868 0.031 0.000 0.877 1111 T HN 0.759 nan 8.240 nan 0.000 0.457 1112 A N -0.075 122.745 122.820 0.001 0.000 2.586 1112 A HA 0.658 4.991 4.320 0.022 0.000 0.291 1112 A C -1.052 176.514 177.584 -0.031 0.000 1.062 1112 A CA -0.858 51.175 52.037 -0.007 0.000 0.666 1112 A CB 1.163 20.159 19.000 -0.007 0.000 1.281 1112 A HN 0.210 nan 8.150 nan 0.000 0.421 1113 S N -0.201 115.479 115.700 -0.034 0.000 2.503 1113 S HA 0.607 5.090 4.470 0.022 0.000 0.301 1113 S C -0.273 174.274 174.600 -0.089 0.000 1.087 1113 S CA -0.577 57.582 58.200 -0.067 0.000 1.042 1113 S CB 1.669 64.840 63.200 -0.049 0.000 1.043 1113 S HN 0.910 nan 8.310 nan 0.000 0.489 1114 V N 3.383 123.193 119.914 -0.174 0.000 2.572 1114 V HA 0.187 4.320 4.120 0.022 0.000 0.291 1114 V C 0.686 176.699 176.094 -0.134 0.000 1.039 1114 V CA -0.066 62.099 62.300 -0.224 0.000 1.055 1114 V CB 0.027 31.527 31.823 -0.538 0.000 0.969 1114 V HN 0.701 nan 8.190 nan 0.000 0.482 1115 R N 5.471 125.941 120.500 -0.050 0.000 2.891 1115 R HA 0.306 4.659 4.340 0.022 0.000 0.248 1115 R C -0.202 176.132 176.300 0.057 0.000 1.439 1115 R CA -0.159 55.950 56.100 0.016 0.000 1.288 1115 R CB 0.110 30.444 30.300 0.056 0.000 1.212 1115 R HN 0.655 nan 8.270 nan 0.000 0.605 1116 L N 2.234 123.494 121.223 0.063 0.000 2.912 1116 L HA 0.117 4.470 4.340 0.022 0.000 0.240 1116 L C 0.420 177.371 176.870 0.134 0.000 1.262 1116 L CA -0.193 54.749 54.840 0.169 0.000 1.058 1116 L CB -0.581 41.619 42.059 0.234 0.000 1.383 1116 L HN 0.478 nan 8.230 nan 0.000 0.512 1117 D N -1.376 119.080 120.400 0.093 0.000 2.689 1117 D HA 0.349 5.002 4.640 0.022 0.000 0.255 1117 D C 0.677 177.024 176.300 0.078 0.000 1.113 1117 D CA -0.257 53.785 54.000 0.070 0.000 1.115 1117 D CB 1.871 42.695 40.800 0.040 0.000 1.334 1117 D HN -0.076 nan 8.370 nan 0.000 0.621 1118 G N -1.321 107.508 108.800 0.048 0.000 2.739 1118 G HA2 0.267 4.241 3.960 0.022 0.000 0.200 1118 G HA3 0.267 4.241 3.960 0.022 0.000 0.200 1118 G C 1.248 176.147 174.900 -0.001 0.000 1.069 1118 G CA 0.630 45.761 45.100 0.051 0.000 0.768 1118 G HN 0.612 nan 8.290 nan 0.000 0.565 1119 A N 1.798 124.571 122.820 -0.077 0.000 1.969 1119 A HA 0.007 4.340 4.320 0.022 0.000 0.218 1119 A C 2.659 180.329 177.584 0.143 0.000 1.169 1119 A CA 2.418 54.368 52.037 -0.146 0.000 0.635 1119 A CB -0.668 18.299 19.000 -0.056 0.000 0.810 1119 A HN 0.771 nan 8.150 nan 0.000 0.445 1120 S N 0.183 115.981 115.700 0.162 0.000 2.400 1120 S HA -0.106 4.378 4.470 0.022 0.000 0.232 1120 S C 1.690 176.438 174.600 0.247 0.000 1.025 1120 S CA 1.467 59.800 58.200 0.222 0.000 0.993 1120 S CB -0.717 62.555 63.200 0.121 0.000 0.808 1120 S HN 0.453 nan 8.310 nan 0.000 0.478 1121 L N 0.392 121.743 121.223 0.214 0.000 2.465 1121 L HA 0.049 4.402 4.340 0.022 0.000 0.224 1121 L C 1.912 178.883 176.870 0.168 0.000 1.145 1121 L CA 0.797 55.747 54.840 0.183 0.000 0.834 1121 L CB -0.556 41.606 42.059 0.171 0.000 0.944 1121 L HN 0.337 nan 8.230 nan 0.000 0.451 1122 H N -1.927 117.104 119.070 -0.065 0.000 2.547 1122 H HA 0.058 4.625 4.556 0.018 0.000 0.266 1122 H C 1.114 176.106 175.328 -0.561 0.000 0.988 1122 H CA 0.696 56.559 56.048 -0.308 0.000 1.147 1122 H CB 0.128 29.644 29.762 -0.410 0.000 1.365 1122 H HN 0.231 nan 8.280 nan 0.000 0.589 1123 F N -1.254 118.709 119.950 0.021 0.000 2.699 1123 F HA 0.566 5.104 4.527 0.019 0.000 0.295 1123 F C 0.894 176.591 175.800 -0.172 0.000 1.052 1123 F CA 0.340 58.291 58.000 -0.081 0.000 1.239 1123 F CB 0.851 39.786 39.000 -0.109 0.000 1.018 1123 F HN 0.025 nan 8.300 nan 0.000 0.627 1124 A N -0.126 122.702 122.820 0.013 0.000 2.594 1124 A HA 0.695 5.028 4.320 0.022 0.000 0.295 1124 A C -2.855 174.750 177.584 0.035 0.000 1.071 1124 A CA -1.543 50.437 52.037 -0.096 0.000 0.685 1124 A CB 0.611 19.347 19.000 -0.440 0.000 1.285 1124 A HN -0.186 nan 8.150 nan 0.000 0.405 1125 P HA 0.225 nan 4.420 nan 0.000 0.272 1125 P C 0.891 178.274 177.300 0.137 0.000 1.230 1125 P CA -0.383 62.771 63.100 0.091 0.000 0.788 1125 P CB 0.378 32.132 31.700 0.089 0.000 0.949 1126 M N 1.332 120.998 119.600 0.110 0.000 2.346 1126 M HA -0.187 4.307 4.480 0.022 0.000 0.263 1126 M C 1.260 177.634 176.300 0.123 0.000 1.064 1126 M CA 1.872 57.241 55.300 0.115 0.000 1.083 1126 M CB -1.104 31.549 32.600 0.088 0.000 1.399 1126 M HN 0.300 nan 8.290 nan 0.000 0.435 1127 E N -0.836 119.436 120.200 0.119 0.000 2.204 1127 E HA -0.078 4.286 4.350 0.022 0.000 0.195 1127 E C 0.240 176.907 176.600 0.113 0.000 0.990 1127 E CA 0.554 57.012 56.400 0.097 0.000 0.821 1127 E CB -0.399 29.350 29.700 0.081 0.000 0.750 1127 E HN 0.486 nan 8.360 nan 0.000 0.477 1128 F N 1.680 121.650 119.950 0.033 0.000 2.529 1128 F HA 0.142 4.677 4.527 0.014 0.000 0.365 1128 F C -2.027 173.790 175.800 0.028 0.000 1.102 1128 F CA -2.736 55.283 58.000 0.033 0.000 1.271 1128 F CB 0.561 39.587 39.000 0.043 0.000 1.120 1128 F HN -0.132 nan 8.300 nan 0.000 0.579 1129 P HA 0.201 nan 4.420 nan 0.000 0.281 1129 P C -1.238 176.126 177.300 0.107 0.000 1.252 1129 P CA -0.413 62.636 63.100 -0.085 0.000 0.778 1129 P CB 1.112 32.681 31.700 -0.219 0.000 0.895 1130 A N 3.830 126.719 122.820 0.115 0.000 3.037 1130 A HA 0.272 4.605 4.320 0.022 0.000 0.272 1130 A C 0.211 177.831 177.584 0.062 0.000 1.723 1130 A CA -0.249 51.857 52.037 0.115 0.000 1.413 1130 A CB -0.955 18.084 19.000 0.066 0.000 1.112 1130 A HN 0.465 nan 8.150 nan 0.000 0.606 1131 V N 1.760 121.716 119.914 0.070 0.000 2.532 1131 V HA 0.707 4.841 4.120 0.022 0.000 0.295 1131 V C 0.621 176.750 176.094 0.058 0.000 1.041 1131 V CA -0.214 62.109 62.300 0.039 0.000 0.926 1131 V CB 1.396 33.222 31.823 0.004 0.000 0.992 1131 V HN 0.900 nan 8.190 nan 0.000 0.457 1132 A N 4.244 127.093 122.820 0.049 0.000 2.332 1132 A HA 0.403 4.736 4.320 0.022 0.000 0.258 1132 A C 0.041 177.672 177.584 0.078 0.000 1.087 1132 A CA -0.255 51.815 52.037 0.054 0.000 0.802 1132 A CB 0.187 19.210 19.000 0.039 0.000 1.042 1132 A HN 1.020 nan 8.150 nan 0.000 0.489 1133 D N -0.114 120.333 120.400 0.078 0.000 2.424 1133 D HA 0.107 4.761 4.640 0.022 0.000 0.244 1133 D C 0.678 177.046 176.300 0.113 0.000 1.134 1133 D CA 0.075 54.134 54.000 0.099 0.000 0.881 1133 D CB 0.163 41.010 40.800 0.079 0.000 1.191 1133 D HN 0.379 nan 8.370 nan 0.000 0.445 1134 F N 4.099 124.059 119.950 0.016 0.000 2.146 1134 F HA -0.072 4.468 4.527 0.021 0.000 0.298 1134 F C 1.985 177.791 175.800 0.010 0.000 1.096 1134 F CA 1.680 59.685 58.000 0.010 0.000 1.275 1134 F CB -0.433 38.571 39.000 0.006 0.000 1.008 1134 F HN 0.474 nan 8.300 nan 0.000 0.480 1135 A N -0.359 122.417 122.820 -0.074 0.000 1.877 1135 A HA -0.207 4.126 4.320 0.022 0.000 0.216 1135 A C 2.388 179.866 177.584 -0.175 0.000 1.186 1135 A CA 1.806 53.741 52.037 -0.169 0.000 0.620 1135 A CB -1.671 17.323 19.000 -0.009 0.000 0.822 1135 A HN 0.572 nan 8.150 nan 0.000 0.443 1136 C N -1.057 118.191 119.300 -0.086 0.000 2.413 1136 C HA -0.102 4.371 4.460 0.022 0.000 0.276 1136 C C 3.055 177.986 174.990 -0.099 0.000 1.236 1136 C CA 1.610 60.590 59.018 -0.063 0.000 1.735 1136 C CB -1.582 26.153 27.740 -0.008 0.000 2.031 1136 C HN 0.652 nan 8.230 nan 0.000 0.474 1137 T N 0.492 114.974 114.554 -0.121 0.000 2.746 1137 T HA -0.164 4.199 4.350 0.022 0.000 0.267 1137 T C 1.766 176.347 174.700 -0.198 0.000 1.039 1137 T CA 2.138 64.164 62.100 -0.124 0.000 1.142 1137 T CB -0.527 68.292 68.868 -0.080 0.000 0.866 1137 T HN 0.614 nan 8.240 nan 0.000 0.444 1138 T N 2.076 116.407 114.554 -0.372 0.000 2.708 1138 T HA -0.057 4.306 4.350 0.022 0.000 0.266 1138 T C 2.432 177.012 174.700 -0.200 0.000 1.037 1138 T CA 1.236 63.113 62.100 -0.372 0.000 1.146 1138 T CB -0.636 67.875 68.868 -0.596 0.000 0.865 1138 T HN 0.443 nan 8.240 nan 0.000 0.435 1139 A N 1.108 123.827 122.820 -0.168 0.000 1.908 1139 A HA -0.042 4.291 4.320 0.022 0.000 0.218 1139 A C 2.328 179.867 177.584 -0.075 0.000 1.181 1139 A CA 1.363 53.340 52.037 -0.100 0.000 0.627 1139 A CB -0.898 18.055 19.000 -0.079 0.000 0.818 1139 A HN 0.477 nan 8.150 nan 0.000 0.445 1140 L N -0.892 120.287 121.223 -0.073 0.000 2.027 1140 L HA -0.138 4.216 4.340 0.022 0.000 0.206 1140 L C 2.555 179.396 176.870 -0.049 0.000 1.074 1140 L CA 0.999 55.810 54.840 -0.049 0.000 0.745 1140 L CB -0.489 41.548 42.059 -0.038 0.000 0.898 1140 L HN 0.247 nan 8.230 nan 0.000 0.433 1141 V N -0.269 119.607 119.914 -0.063 0.000 2.343 1141 V HA -0.291 3.843 4.120 0.022 0.000 0.247 1141 V C 2.427 178.489 176.094 -0.053 0.000 1.051 1141 V CA 1.855 64.122 62.300 -0.055 0.000 1.036 1141 V CB -0.312 31.474 31.823 -0.061 0.000 0.654 1141 V HN 0.393 nan 8.190 nan 0.000 0.451 1142 E N 0.031 120.194 120.200 -0.061 0.000 2.051 1142 E HA -0.157 4.206 4.350 0.022 0.000 0.192 1142 E C 2.241 178.817 176.600 -0.040 0.000 0.991 1142 E CA 1.425 57.795 56.400 -0.050 0.000 0.799 1142 E CB -0.442 29.225 29.700 -0.055 0.000 0.748 1142 E HN 0.561 nan 8.360 nan 0.000 0.449 1143 A N 0.638 123.435 122.820 -0.039 0.000 1.933 1143 A HA -0.122 4.211 4.320 0.022 0.000 0.218 1143 A C 2.342 179.909 177.584 -0.028 0.000 1.175 1143 A CA 1.818 53.838 52.037 -0.029 0.000 0.628 1143 A CB -0.810 18.175 19.000 -0.025 0.000 0.814 1143 A HN 0.340 nan 8.150 nan 0.000 0.444 1144 A N -0.171 122.628 122.820 -0.035 0.000 1.902 1144 A HA -0.148 4.185 4.320 0.022 0.000 0.217 1144 A C 2.136 179.689 177.584 -0.052 0.000 1.181 1144 A CA 1.704 53.715 52.037 -0.043 0.000 0.623 1144 A CB -0.358 18.616 19.000 -0.044 0.000 0.818 1144 A HN 0.508 nan 8.150 nan 0.000 0.443 1145 K N 0.325 120.697 120.400 -0.047 0.000 2.062 1145 K HA -0.078 4.255 4.320 0.022 0.000 0.205 1145 K C 2.203 178.780 176.600 -0.038 0.000 1.051 1145 K CA 1.456 57.716 56.287 -0.046 0.000 0.941 1145 K CB -0.264 32.211 32.500 -0.042 0.000 0.719 1145 K HN 0.640 nan 8.250 nan 0.000 0.440 1146 S N 0.756 116.437 115.700 -0.031 0.000 2.507 1146 S HA -0.010 4.473 4.470 0.022 0.000 0.235 1146 S C 1.790 176.378 174.600 -0.020 0.000 0.988 1146 S CA 0.632 58.818 58.200 -0.023 0.000 0.944 1146 S CB -0.318 62.871 63.200 -0.019 0.000 0.762 1146 S HN 0.192 nan 8.310 nan 0.000 0.526 1147 I N 0.701 121.256 120.570 -0.026 0.000 3.462 1147 I HA 0.254 4.437 4.170 0.022 0.000 0.290 1147 I C 1.924 178.016 176.117 -0.041 0.000 1.236 1147 I CA 0.587 61.874 61.300 -0.021 0.000 1.418 1147 I CB -0.003 37.988 38.000 -0.015 0.000 1.102 1147 I HN 0.518 nan 8.210 nan 0.000 0.441 1148 G N 1.416 110.182 108.800 -0.056 0.000 2.175 1148 G HA2 -0.234 3.739 3.960 0.022 0.000 0.244 1148 G HA3 -0.234 3.739 3.960 0.022 0.000 0.244 1148 G C 0.499 175.335 174.900 -0.107 0.000 0.982 1148 G CA -0.053 45.007 45.100 -0.066 0.000 0.641 1148 G HN 0.532 nan 8.290 nan 0.000 0.527 1149 A N 0.361 123.094 122.820 -0.145 0.000 2.531 1149 A HA 0.552 4.885 4.320 0.022 0.000 0.236 1149 A C 0.864 178.367 177.584 -0.135 0.000 1.062 1149 A CA 1.369 53.285 52.037 -0.201 0.000 0.760 1149 A CB 0.204 19.078 19.000 -0.209 0.000 0.995 1149 A HN 0.859 nan 8.150 nan 0.000 0.501 1150 T N 3.244 117.723 114.554 -0.125 0.000 2.727 1150 T HA 0.402 4.765 4.350 0.022 0.000 0.295 1150 T C 0.149 174.773 174.700 -0.126 0.000 0.915 1150 T CA 0.442 62.475 62.100 -0.112 0.000 1.066 1150 T CB -0.072 68.757 68.868 -0.065 0.000 0.891 1150 T HN 0.648 nan 8.240 nan 0.000 0.516 1151 T N 4.599 119.038 114.554 -0.192 0.000 2.856 1151 T HA 0.391 4.754 4.350 0.022 0.000 0.283 1151 T C -0.452 174.069 174.700 -0.299 0.000 1.008 1151 T CA -0.772 61.239 62.100 -0.149 0.000 0.997 1151 T CB 0.870 69.687 68.868 -0.085 0.000 0.992 1151 T HN 0.533 nan 8.240 nan 0.000 0.454 1152 H N 0.977 120.049 119.070 0.004 0.000 2.495 1152 H HA 0.568 5.138 4.556 0.022 0.000 0.348 1152 H C -0.956 174.378 175.328 0.011 0.000 1.113 1152 H CA -0.606 55.456 56.048 0.023 0.000 1.195 1152 H CB 1.875 31.659 29.762 0.036 0.000 1.521 1152 H HN 0.262 nan 8.280 nan 0.000 0.509 1153 V N 2.206 122.188 119.914 0.115 0.000 2.487 1153 V HA 0.700 4.833 4.120 0.022 0.000 0.298 1153 V C 0.507 176.641 176.094 0.066 0.000 1.028 1153 V CA -0.299 62.040 62.300 0.065 0.000 0.860 1153 V CB 1.338 33.182 31.823 0.035 0.000 0.991 1153 V HN 1.109 nan 8.190 nan 0.000 0.427 1154 G N 3.104 111.930 108.800 0.044 0.000 2.399 1154 G HA2 0.394 4.367 3.960 0.022 0.000 0.256 1154 G HA3 0.394 4.367 3.960 0.022 0.000 0.256 1154 G C -1.397 173.505 174.900 0.003 0.000 1.236 1154 G CA -0.370 44.748 45.100 0.030 0.000 0.914 1154 G HN 0.536 nan 8.290 nan 0.000 0.482 1155 V N 0.737 120.643 119.914 -0.014 0.000 2.607 1155 V HA 0.664 4.797 4.120 0.022 0.000 0.289 1155 V C 0.208 176.249 176.094 -0.088 0.000 1.053 1155 V CA -0.064 62.207 62.300 -0.048 0.000 0.996 1155 V CB 1.340 33.131 31.823 -0.053 0.000 0.995 1155 V HN 0.775 nan 8.190 nan 0.000 0.476 1156 T N 3.330 117.816 114.554 -0.112 0.000 2.848 1156 T HA 0.626 4.989 4.350 0.022 0.000 0.285 1156 T C -0.096 174.478 174.700 -0.211 0.000 0.995 1156 T CA -0.287 61.724 62.100 -0.148 0.000 0.970 1156 T CB 1.617 70.431 68.868 -0.090 0.000 0.976 1156 T HN 0.934 nan 8.240 nan 0.000 0.441 1157 A N 2.443 125.074 122.820 -0.315 0.000 2.354 1157 A HA 0.593 4.926 4.320 0.022 0.000 0.281 1157 A C 0.456 177.976 177.584 -0.107 0.000 1.174 1157 A CA -0.352 51.468 52.037 -0.361 0.000 0.828 1157 A CB 0.247 18.854 19.000 -0.654 0.000 1.099 1157 A HN 0.631 nan 8.150 nan 0.000 0.516 1158 S N 2.097 117.750 115.700 -0.079 0.000 2.520 1158 S HA 0.504 4.987 4.470 0.022 0.000 0.324 1158 S C -0.061 174.544 174.600 0.010 0.000 1.069 1158 S CA -0.337 57.855 58.200 -0.014 0.000 1.121 1158 S CB 0.355 63.541 63.200 -0.023 0.000 0.971 1158 S HN 0.937 nan 8.310 nan 0.000 0.463 1159 S N 3.178 118.885 115.700 0.012 0.000 2.509 1159 S HA 0.354 4.837 4.470 0.022 0.000 0.297 1159 S C 0.450 175.030 174.600 -0.034 0.000 1.118 1159 S CA -0.620 57.563 58.200 -0.028 0.000 1.074 1159 S CB 1.131 64.244 63.200 -0.144 0.000 1.038 1159 S HN 0.703 nan 8.310 nan 0.000 0.498 1160 D N 1.913 122.302 120.400 -0.019 0.000 2.371 1160 D HA 0.103 4.756 4.640 0.022 0.000 0.221 1160 D C 0.743 177.032 176.300 -0.020 0.000 0.986 1160 D CA 0.826 54.823 54.000 -0.005 0.000 0.899 1160 D CB 0.178 40.993 40.800 0.025 0.000 0.902 1160 D HN 0.715 nan 8.370 nan 0.000 0.530 1161 T N -4.083 110.426 114.554 -0.075 0.000 2.906 1161 T HA 0.303 4.666 4.350 0.022 0.000 0.295 1161 T C 0.405 175.044 174.700 -0.103 0.000 1.075 1161 T CA -0.886 61.182 62.100 -0.054 0.000 1.005 1161 T CB 1.210 70.037 68.868 -0.069 0.000 1.136 1161 T HN -0.118 nan 8.240 nan 0.000 0.498 1162 F N -0.085 119.737 119.950 -0.214 0.000 2.473 1162 F HA 0.241 4.781 4.527 0.022 0.000 0.294 1162 F C 1.004 176.473 175.800 -0.552 0.000 1.103 1162 F CA 0.540 58.299 58.000 -0.401 0.000 1.442 1162 F CB 0.017 38.725 39.000 -0.486 0.000 1.097 1162 F HN 0.682 nan 8.300 nan 0.000 0.547 1163 Y N 0.333 120.580 120.300 -0.088 0.000 2.296 1163 Y HA 0.170 4.732 4.550 0.020 0.000 0.271 1163 Y C -0.600 175.114 175.900 -0.309 0.000 1.102 1163 Y CA 0.459 58.463 58.100 -0.161 0.000 1.147 1163 Y CB -1.874 36.580 38.460 -0.011 0.000 1.070 1163 Y HN -0.177 nan 8.280 nan 0.000 0.495 1164 P HA -0.040 nan 4.420 nan 0.000 0.218 1164 P C 1.525 178.507 177.300 -0.530 0.000 1.152 1164 P CA 1.979 64.931 63.100 -0.247 0.000 0.826 1164 P CB -0.219 31.407 31.700 -0.125 0.000 0.790 1165 G N -0.307 108.060 108.800 -0.722 0.000 2.559 1165 G HA2 -0.199 3.774 3.960 0.022 0.000 0.216 1165 G HA3 -0.199 3.774 3.960 0.022 0.000 0.216 1165 G C 1.213 175.606 174.900 -0.845 0.000 1.126 1165 G CA 0.345 44.696 45.100 -1.248 0.000 0.778 1165 G HN 0.347 nan 8.290 nan 0.000 0.543 1166 Q N -0.675 118.655 119.800 -0.784 0.000 2.179 1166 Q HA 0.205 4.559 4.340 0.022 0.000 0.213 1166 Q C 0.043 175.696 176.000 -0.578 0.000 0.833 1166 Q CA -0.272 54.861 55.803 -1.117 0.000 0.990 1166 Q CB 0.575 28.511 28.738 -1.337 0.000 1.132 1166 Q HN 0.568 nan 8.270 nan 0.000 0.493 1167 E N 1.689 121.653 120.200 -0.392 0.000 2.297 1167 E HA -0.225 4.138 4.350 0.022 0.000 0.228 1167 E C -0.925 175.477 176.600 -0.330 0.000 1.213 1167 E CA 0.120 56.337 56.400 -0.304 0.000 0.712 1167 E CB -0.363 29.303 29.700 -0.057 0.000 1.202 1167 E HN 0.345 nan 8.360 nan 0.000 0.376 1168 R N -0.030 120.276 120.500 -0.323 0.000 2.308 1168 R HA 0.182 4.535 4.340 0.022 0.000 0.305 1168 R C 0.377 176.553 176.300 -0.207 0.000 1.053 1168 R CA -0.045 55.961 56.100 -0.156 0.000 0.957 1168 R CB 0.430 30.704 30.300 -0.044 0.000 1.022 1168 R HN 0.210 nan 8.270 nan 0.000 0.461 1169 Y N -0.532 119.797 120.300 0.049 0.000 2.442 1169 Y HA 0.037 4.600 4.550 0.022 0.000 0.250 1169 Y C 0.693 176.617 175.900 0.041 0.000 1.113 1169 Y CA -0.131 57.993 58.100 0.040 0.000 1.273 1169 Y CB 0.571 39.046 38.460 0.024 0.000 1.138 1169 Y HN 0.500 nan 8.280 nan 0.000 0.522 1170 D N 1.710 122.222 120.400 0.186 0.000 2.608 1170 D HA 0.091 4.745 4.640 0.022 0.000 0.224 1170 D C -0.027 176.330 176.300 0.096 0.000 1.123 1170 D CA 0.303 54.384 54.000 0.135 0.000 1.030 1170 D CB -0.229 40.653 40.800 0.137 0.000 1.093 1170 D HN 0.264 nan 8.370 nan 0.000 0.497 1171 T N -2.068 112.515 114.554 0.048 0.000 2.804 1171 T HA 0.131 4.494 4.350 0.022 0.000 0.290 1171 T C 0.974 175.681 174.700 0.012 0.000 1.099 1171 T CA -0.806 61.276 62.100 -0.030 0.000 1.011 1171 T CB 0.490 69.316 68.868 -0.071 0.000 1.291 1171 T HN 0.048 nan 8.240 nan 0.000 0.523 1172 Y N 1.749 121.983 120.300 -0.110 0.000 2.114 1172 Y HA -0.168 4.394 4.550 0.021 0.000 0.282 1172 Y C 2.656 178.536 175.900 -0.033 0.000 1.165 1172 Y CA 2.788 60.847 58.100 -0.068 0.000 1.148 1172 Y CB -0.570 37.840 38.460 -0.083 0.000 0.972 1172 Y HN 0.746 nan 8.280 nan 0.000 0.504 1173 S N -1.498 114.110 115.700 -0.154 0.000 2.470 1173 S HA 0.211 4.694 4.470 0.022 0.000 0.222 1173 S C 1.898 176.437 174.600 -0.101 0.000 1.024 1173 S CA 0.512 58.581 58.200 -0.218 0.000 0.931 1173 S CB -0.450 62.723 63.200 -0.045 0.000 0.791 1173 S HN 1.002 nan 8.310 nan 0.000 0.513 1174 G N 1.682 110.472 108.800 -0.017 0.000 2.166 1174 G HA2 -0.328 3.645 3.960 0.022 0.000 0.260 1174 G HA3 -0.328 3.645 3.960 0.022 0.000 0.260 1174 G C 0.027 175.025 174.900 0.163 0.000 0.986 1174 G CA 0.509 45.654 45.100 0.075 0.000 0.683 1174 G HN 0.855 nan 8.290 nan 0.000 0.527 1175 R N -0.496 120.063 120.500 0.099 0.000 2.589 1175 R HA 0.703 5.056 4.340 0.022 0.000 0.293 1175 R C -0.244 176.092 176.300 0.060 0.000 0.963 1175 R CA -0.211 55.961 56.100 0.121 0.000 0.905 1175 R CB 2.041 32.380 30.300 0.064 0.000 1.144 1175 R HN 0.748 nan 8.270 nan 0.000 0.459 1176 V N 2.717 122.680 119.914 0.083 0.000 2.656 1176 V HA 0.441 4.574 4.120 0.022 0.000 0.307 1176 V C -0.331 175.826 176.094 0.105 0.000 1.051 1176 V CA -0.900 61.406 62.300 0.009 0.000 0.893 1176 V CB 1.663 33.371 31.823 -0.191 0.000 0.999 1176 V HN 0.666 nan 8.190 nan 0.000 0.426 1177 V N 6.185 126.175 119.914 0.126 0.000 2.928 1177 V HA 0.105 4.238 4.120 0.022 0.000 0.307 1177 V C 2.013 178.172 176.094 0.108 0.000 1.105 1177 V CA 1.226 63.600 62.300 0.123 0.000 1.223 1177 V CB 0.680 32.592 31.823 0.148 0.000 0.930 1177 V HN 1.150 nan 8.190 nan 0.000 0.499 1178 R N 3.585 124.121 120.500 0.059 0.000 2.191 1178 R HA -0.291 4.062 4.340 0.022 0.000 0.248 1178 R C 2.264 178.551 176.300 -0.023 0.000 1.127 1178 R CA 2.835 58.949 56.100 0.024 0.000 0.943 1178 R CB -0.440 29.863 30.300 0.005 0.000 0.891 1178 R HN 0.858 nan 8.270 nan 0.000 0.439 1179 R N -0.796 119.649 120.500 -0.091 0.000 2.117 1179 R HA -0.171 4.182 4.340 0.022 0.000 0.243 1179 R C 1.604 177.683 176.300 -0.368 0.000 1.143 1179 R CA 2.169 58.103 56.100 -0.276 0.000 0.968 1179 R CB -0.291 29.751 30.300 -0.431 0.000 0.863 1179 R HN 0.293 nan 8.270 nan 0.000 0.444 1180 F N 0.698 120.660 119.950 0.020 0.000 2.749 1180 F HA 0.288 4.836 4.527 0.034 0.000 0.300 1180 F C 0.359 176.157 175.800 -0.004 0.000 1.103 1180 F CA -0.108 57.898 58.000 0.011 0.000 1.342 1180 F CB 0.204 39.210 39.000 0.010 0.000 1.098 1180 F HN -0.229 nan 8.300 nan 0.000 0.586 1181 K N 0.601 121.088 120.400 0.145 0.000 2.472 1181 K HA 0.218 4.551 4.320 0.022 0.000 0.280 1181 K C 1.278 177.921 176.600 0.072 0.000 1.028 1181 K CA 0.853 57.228 56.287 0.147 0.000 1.045 1181 K CB -0.039 32.532 32.500 0.119 0.000 0.902 1181 K HN 0.371 nan 8.250 nan 0.000 0.478 1182 G N 1.932 110.788 108.800 0.094 0.000 2.166 1182 G HA2 -0.357 3.616 3.960 0.022 0.000 0.260 1182 G HA3 -0.357 3.616 3.960 0.022 0.000 0.260 1182 G C 0.944 175.794 174.900 -0.083 0.000 0.986 1182 G CA 0.930 46.038 45.100 0.014 0.000 0.683 1182 G HN 0.698 nan 8.290 nan 0.000 0.527 1183 S N -0.826 114.826 115.700 -0.081 0.000 2.387 1183 S HA 0.053 4.537 4.470 0.022 0.000 0.226 1183 S C 2.268 176.598 174.600 -0.449 0.000 1.026 1183 S CA 1.559 59.563 58.200 -0.326 0.000 0.972 1183 S CB -0.250 62.914 63.200 -0.060 0.000 0.814 1183 S HN 0.789 nan 8.310 nan 0.000 0.477 1184 M N 1.578 121.161 119.600 -0.027 0.000 2.117 1184 M HA -0.058 4.435 4.480 0.022 0.000 0.262 1184 M C 2.319 178.640 176.300 0.035 0.000 1.065 1184 M CA 2.042 57.433 55.300 0.152 0.000 1.114 1184 M CB -0.293 32.468 32.600 0.268 0.000 1.361 1184 M HN 0.472 nan 8.290 nan 0.000 0.408 1185 E N 0.010 120.204 120.200 -0.011 0.000 2.153 1185 E HA -0.250 4.113 4.350 0.022 0.000 0.194 1185 E C 1.851 178.414 176.600 -0.062 0.000 0.988 1185 E CA 1.356 57.747 56.400 -0.015 0.000 0.811 1185 E CB -0.056 29.635 29.700 -0.014 0.000 0.746 1185 E HN 0.645 nan 8.360 nan 0.000 0.466 1186 E N -0.502 119.584 120.200 -0.191 0.000 2.072 1186 E HA -0.150 4.213 4.350 0.022 0.000 0.190 1186 E C 1.708 178.245 176.600 -0.105 0.000 0.982 1186 E CA 0.963 57.217 56.400 -0.244 0.000 0.803 1186 E CB -0.123 29.302 29.700 -0.459 0.000 0.755 1186 E HN 0.442 nan 8.360 nan 0.000 0.453 1187 W N 1.064 122.375 121.300 0.020 0.000 2.358 1187 W HA -0.166 4.499 4.660 0.008 0.000 0.303 1187 W C 2.502 178.994 176.519 -0.045 0.000 1.208 1187 W CA 0.195 57.524 57.345 -0.027 0.000 1.274 1187 W CB -0.116 29.292 29.460 -0.088 0.000 1.138 1187 W HN 0.142 nan 8.180 nan 0.000 0.515 1188 Q N 0.385 120.286 119.800 0.168 0.000 2.050 1188 Q HA -0.184 4.169 4.340 0.022 0.000 0.202 1188 Q C 2.491 178.537 176.000 0.077 0.000 0.980 1188 Q CA 1.816 57.672 55.803 0.088 0.000 0.840 1188 Q CB -0.592 28.181 28.738 0.059 0.000 0.898 1188 Q HN 0.312 nan 8.270 nan 0.000 0.424 1189 A N 0.319 123.176 122.820 0.062 0.000 2.015 1189 A HA -0.101 4.232 4.320 0.022 0.000 0.219 1189 A C 1.825 179.447 177.584 0.064 0.000 1.163 1189 A CA 1.035 53.100 52.037 0.047 0.000 0.646 1189 A CB -0.302 18.710 19.000 0.021 0.000 0.806 1189 A HN 0.303 nan 8.150 nan 0.000 0.448 1190 M N -1.302 118.359 119.600 0.103 0.000 2.561 1190 M HA 0.163 4.657 4.480 0.022 0.000 0.238 1190 M C 1.304 177.661 176.300 0.094 0.000 1.131 1190 M CA 0.778 56.148 55.300 0.117 0.000 1.046 1190 M CB 0.259 32.980 32.600 0.202 0.000 1.532 1190 M HN 0.604 nan 8.290 nan 0.000 0.497 1191 G N 0.615 109.465 108.800 0.084 0.000 2.141 1191 G HA2 -0.198 3.775 3.960 0.022 0.000 0.242 1191 G HA3 -0.198 3.775 3.960 0.022 0.000 0.242 1191 G C 0.052 174.980 174.900 0.045 0.000 0.982 1191 G CA -0.255 44.886 45.100 0.067 0.000 0.662 1191 G HN 0.300 nan 8.290 nan 0.000 0.527 1192 V N 1.842 121.778 119.914 0.037 0.000 2.585 1192 V HA 0.228 4.361 4.120 0.022 0.000 0.296 1192 V C 1.872 177.917 176.094 -0.082 0.000 1.035 1192 V CA 0.981 63.254 62.300 -0.044 0.000 1.084 1192 V CB 1.252 33.016 31.823 -0.099 0.000 0.953 1192 V HN 0.399 nan 8.190 nan 0.000 0.483 1193 M N 3.259 122.794 119.600 -0.107 0.000 2.193 1193 M HA 0.083 4.576 4.480 0.022 0.000 0.265 1193 M C 0.615 176.809 176.300 -0.176 0.000 1.071 1193 M CA 1.134 56.356 55.300 -0.130 0.000 1.140 1193 M CB -0.044 32.495 32.600 -0.102 0.000 1.369 1193 M HN 0.948 nan 8.290 nan 0.000 0.423 1194 N N -1.751 116.821 118.700 -0.213 0.000 3.185 1194 N HA 0.160 4.913 4.740 0.022 0.000 0.238 1194 N C -1.976 173.361 175.510 -0.289 0.000 1.451 1194 N CA -0.687 52.237 53.050 -0.209 0.000 0.888 1194 N CB 1.019 39.441 38.487 -0.108 0.000 1.413 1194 N HN -0.088 nan 8.380 nan 0.000 0.511 1195 Y N -0.173 120.073 120.300 -0.090 0.000 2.420 1195 Y HA 0.513 5.075 4.550 0.019 0.000 0.334 1195 Y C 0.497 176.342 175.900 -0.091 0.000 1.094 1195 Y CA -0.075 57.957 58.100 -0.112 0.000 1.126 1195 Y CB 1.462 39.836 38.460 -0.144 0.000 1.217 1195 Y HN 0.794 nan 8.280 nan 0.000 0.462 1196 E N -0.256 120.001 120.200 0.096 0.000 2.368 1196 E HA 0.513 4.876 4.350 0.022 0.000 0.257 1196 E C -0.993 175.628 176.600 0.035 0.000 1.022 1196 E CA -0.747 55.685 56.400 0.053 0.000 0.886 1196 E CB 1.123 30.840 29.700 0.029 0.000 1.740 1196 E HN 0.461 nan 8.360 nan 0.000 0.456 1197 M N -0.617 118.998 119.600 0.025 0.000 2.289 1197 M HA 0.330 4.823 4.480 0.022 0.000 0.335 1197 M C -0.069 176.235 176.300 0.006 0.000 0.961 1197 M CA 0.213 55.522 55.300 0.014 0.000 1.018 1197 M CB 0.712 33.327 32.600 0.024 0.000 1.678 1197 M HN 0.488 nan 8.290 nan 0.000 0.589 1198 E N -0.449 119.753 120.200 0.003 0.000 2.474 1198 E HA 0.067 4.431 4.350 0.022 0.000 0.215 1198 E C 1.857 178.447 176.600 -0.017 0.000 0.867 1198 E CA 0.660 57.057 56.400 -0.006 0.000 1.135 1198 E CB 0.359 30.059 29.700 -0.002 0.000 1.147 1198 E HN 0.310 nan 8.360 nan 0.000 0.534 1199 S N 0.846 116.537 115.700 -0.015 0.000 2.383 1199 S HA -0.073 4.410 4.470 0.022 0.000 0.227 1199 S C 2.222 176.807 174.600 -0.024 0.000 1.026 1199 S CA 0.908 59.096 58.200 -0.021 0.000 0.981 1199 S CB -0.264 62.926 63.200 -0.016 0.000 0.818 1199 S HN 0.222 nan 8.310 nan 0.000 0.472 1200 A N 1.897 124.706 122.820 -0.018 0.000 1.883 1200 A HA -0.064 4.269 4.320 0.022 0.000 0.217 1200 A C 2.449 180.027 177.584 -0.010 0.000 1.186 1200 A CA 2.252 54.285 52.037 -0.005 0.000 0.624 1200 A CB -1.736 17.267 19.000 0.004 0.000 0.822 1200 A HN 0.582 nan 8.150 nan 0.000 0.444 1201 T N 0.033 114.573 114.554 -0.023 0.000 2.701 1201 T HA -0.124 4.240 4.350 0.022 0.000 0.263 1201 T C 1.869 176.480 174.700 -0.148 0.000 1.040 1201 T CA 1.457 63.526 62.100 -0.052 0.000 1.147 1201 T CB -0.477 68.371 68.868 -0.033 0.000 0.865 1201 T HN 0.329 nan 8.240 nan 0.000 0.426 1202 L N 1.252 122.396 121.223 -0.132 0.000 1.971 1202 L HA -0.077 4.276 4.340 0.022 0.000 0.215 1202 L C 2.194 178.963 176.870 -0.168 0.000 1.072 1202 L CA 1.800 56.532 54.840 -0.179 0.000 0.758 1202 L CB -0.882 41.109 42.059 -0.112 0.000 0.889 1202 L HN 0.267 nan 8.230 nan 0.000 0.433 1203 L N -1.590 119.583 121.223 -0.082 0.000 2.056 1203 L HA -0.158 4.196 4.340 0.022 0.000 0.207 1203 L C 2.338 179.201 176.870 -0.011 0.000 1.078 1203 L CA 1.533 56.355 54.840 -0.030 0.000 0.749 1203 L CB -1.171 40.894 42.059 0.009 0.000 0.901 1203 L HN 0.293 nan 8.230 nan 0.000 0.433 1204 T N 0.835 115.379 114.554 -0.017 0.000 2.674 1204 T HA -0.227 4.136 4.350 0.022 0.000 0.265 1204 T C 1.882 176.478 174.700 -0.172 0.000 1.039 1204 T CA 1.988 64.095 62.100 0.011 0.000 1.150 1204 T CB -0.282 68.611 68.868 0.042 0.000 0.864 1204 T HN 0.443 nan 8.240 nan 0.000 0.427 1205 M N 0.259 119.627 119.600 -0.386 0.000 2.213 1205 M HA -0.049 4.444 4.480 0.022 0.000 0.263 1205 M C 2.205 178.231 176.300 -0.456 0.000 1.062 1205 M CA 1.571 56.399 55.300 -0.788 0.000 1.105 1205 M CB -1.029 30.620 32.600 -1.586 0.000 1.385 1205 M HN 0.201 nan 8.290 nan 0.000 0.417 1206 C N 1.180 120.310 119.300 -0.284 0.000 2.544 1206 C HA 0.220 4.693 4.460 0.022 0.000 0.280 1206 C C 3.251 178.227 174.990 -0.022 0.000 1.295 1206 C CA 0.883 59.819 59.018 -0.137 0.000 1.702 1206 C CB -1.059 26.631 27.740 -0.084 0.000 2.090 1206 C HN 0.762 nan 8.230 nan 0.000 0.493 1207 A N 0.954 123.798 122.820 0.040 0.000 2.070 1207 A HA -0.125 4.208 4.320 0.022 0.000 0.220 1207 A C 2.079 179.787 177.584 0.208 0.000 1.159 1207 A CA 2.109 54.249 52.037 0.172 0.000 0.656 1207 A CB -0.533 18.642 19.000 0.292 0.000 0.800 1207 A HN 0.724 nan 8.150 nan 0.000 0.453 1208 S N -2.228 113.459 115.700 -0.020 0.000 2.557 1208 S HA 0.226 4.710 4.470 0.022 0.000 0.223 1208 S C 0.834 175.393 174.600 -0.067 0.000 0.969 1208 S CA 0.055 58.148 58.200 -0.178 0.000 0.927 1208 S CB 0.144 62.930 63.200 -0.691 0.000 0.806 1208 S HN 0.604 nan 8.310 nan 0.000 0.489 1209 Q N 0.479 120.264 119.800 -0.025 0.000 2.086 1209 Q HA 0.341 4.694 4.340 0.022 0.000 0.220 1209 Q C 0.554 176.575 176.000 0.034 0.000 0.792 1209 Q CA 0.018 55.824 55.803 0.006 0.000 1.062 1209 Q CB 1.066 29.798 28.738 -0.010 0.000 1.198 1209 Q HN 0.645 nan 8.270 nan 0.000 0.466 1210 G N 1.620 110.451 108.800 0.051 0.000 2.246 1210 G HA2 -0.271 3.702 3.960 0.022 0.000 0.273 1210 G HA3 -0.271 3.702 3.960 0.022 0.000 0.273 1210 G C -0.209 174.734 174.900 0.072 0.000 1.055 1210 G CA 0.309 45.447 45.100 0.063 0.000 0.851 1210 G HN 0.253 nan 8.290 nan 0.000 0.500 1211 L N -0.895 120.375 121.223 0.079 0.000 2.334 1211 L HA 0.668 5.021 4.340 0.022 0.000 0.273 1211 L C 0.910 177.856 176.870 0.127 0.000 1.013 1211 L CA -1.211 53.706 54.840 0.127 0.000 0.816 1211 L CB 1.522 43.688 42.059 0.178 0.000 1.278 1211 L HN 0.066 nan 8.230 nan 0.000 0.431 1212 R N 1.522 122.109 120.500 0.145 0.000 2.349 1212 R HA 0.788 5.141 4.340 0.022 0.000 0.299 1212 R C -0.747 175.653 176.300 0.165 0.000 1.027 1212 R CA -0.538 55.634 56.100 0.120 0.000 0.958 1212 R CB 1.637 31.984 30.300 0.077 0.000 1.047 1212 R HN 0.715 nan 8.270 nan 0.000 0.468 1213 A N 1.274 124.165 122.820 0.118 0.000 2.486 1213 A HA 0.768 5.101 4.320 0.022 0.000 0.300 1213 A C -0.787 176.839 177.584 0.069 0.000 1.048 1213 A CA -0.618 51.489 52.037 0.117 0.000 0.696 1213 A CB 2.199 21.243 19.000 0.074 0.000 1.278 1213 A HN 0.769 nan 8.150 nan 0.000 0.405 1214 G N -0.239 108.599 108.800 0.063 0.000 2.605 1214 G HA2 0.711 4.684 3.960 0.022 0.000 0.296 1214 G HA3 0.711 4.684 3.960 0.022 0.000 0.296 1214 G C -1.159 173.760 174.900 0.031 0.000 1.304 1214 G CA -0.558 44.561 45.100 0.032 0.000 0.941 1214 G HN 1.292 nan 8.290 nan 0.000 0.475 1215 M N 1.655 121.265 119.600 0.017 0.000 2.224 1215 M HA 0.673 5.166 4.480 0.022 0.000 0.281 1215 M C -1.908 174.397 176.300 0.009 0.000 1.025 1215 M CA -0.654 54.655 55.300 0.014 0.000 0.954 1215 M CB 1.937 34.542 32.600 0.008 0.000 1.639 1215 M HN 0.699 nan 8.290 nan 0.000 0.461 1216 V N 4.084 124.005 119.914 0.011 0.000 2.876 1216 V HA 1.060 5.194 4.120 0.022 0.000 0.312 1216 V C -1.590 174.512 176.094 0.014 0.000 1.085 1216 V CA 0.148 62.454 62.300 0.010 0.000 0.945 1216 V CB 2.072 33.900 31.823 0.007 0.000 1.017 1216 V HN 1.201 nan 8.190 nan 0.000 0.428 1217 A N 3.437 126.266 122.820 0.016 0.000 2.574 1217 A HA 0.871 5.204 4.320 0.022 0.000 0.297 1217 A C -0.324 177.275 177.584 0.025 0.000 1.062 1217 A CA -0.115 51.933 52.037 0.018 0.000 0.686 1217 A CB 1.781 20.789 19.000 0.012 0.000 1.285 1217 A HN 1.588 nan 8.150 nan 0.000 0.403 1218 G N 0.174 108.991 108.800 0.029 0.000 2.332 1218 G HA2 0.524 4.497 3.960 0.022 0.000 0.310 1218 G HA3 0.524 4.497 3.960 0.022 0.000 0.310 1218 G C -0.455 174.462 174.900 0.029 0.000 1.123 1218 G CA -0.346 44.778 45.100 0.040 0.000 0.873 1218 G HN 0.972 nan 8.290 nan 0.000 0.460 1219 V N 3.747 123.677 119.914 0.027 0.000 2.415 1219 V HA 0.079 4.213 4.120 0.022 0.000 0.267 1219 V C 0.958 177.063 176.094 0.019 0.000 1.042 1219 V CA -0.031 62.275 62.300 0.010 0.000 1.000 1219 V CB 0.413 32.230 31.823 -0.010 0.000 1.015 1219 V HN 0.772 nan 8.190 nan 0.000 0.478 1220 I N 3.734 124.315 120.570 0.018 0.000 4.082 1220 I HA 0.562 4.745 4.170 0.022 0.000 0.337 1220 I C 0.094 176.222 176.117 0.019 0.000 1.352 1220 I CA 0.100 61.412 61.300 0.021 0.000 1.097 1220 I CB 0.897 38.910 38.000 0.021 0.000 1.048 1220 I HN 0.373 nan 8.210 nan 0.000 0.393 1221 V N 0.622 120.544 119.914 0.014 0.000 3.225 1221 V HA 0.572 4.705 4.120 0.022 0.000 0.293 1221 V C -2.112 173.981 176.094 -0.000 0.000 1.405 1221 V CA -0.535 61.774 62.300 0.014 0.000 1.038 1221 V CB 2.423 34.263 31.823 0.029 0.000 1.123 1221 V HN 0.365 nan 8.190 nan 0.000 0.447 1222 N N 3.641 122.341 118.700 -0.001 0.000 2.533 1222 N HA 0.409 5.163 4.740 0.022 0.000 0.289 1222 N C 0.665 176.176 175.510 0.002 0.000 1.103 1222 N CA -0.590 52.452 53.050 -0.014 0.000 0.877 1222 N CB 2.030 40.498 38.487 -0.031 0.000 1.419 1222 N HN 0.695 nan 8.380 nan 0.000 0.517 1223 R N 0.668 121.174 120.500 0.010 0.000 2.113 1223 R HA -0.118 4.235 4.340 0.022 0.000 0.244 1223 R C 1.482 177.796 176.300 0.023 0.000 1.142 1223 R CA 2.304 58.419 56.100 0.025 0.000 0.953 1223 R CB -1.078 29.251 30.300 0.048 0.000 0.860 1223 R HN 0.741 nan 8.270 nan 0.000 0.438 1224 T N -1.760 112.801 114.554 0.012 0.000 3.118 1224 T HA 0.017 4.380 4.350 0.022 0.000 0.260 1224 T C 0.919 175.624 174.700 0.010 0.000 1.139 1224 T CA 0.261 62.368 62.100 0.013 0.000 1.085 1224 T CB 0.199 69.071 68.868 0.006 0.000 0.934 1224 T HN 0.186 nan 8.240 nan 0.000 0.518 1225 Q N 0.170 119.973 119.800 0.006 0.000 2.193 1225 Q HA 0.416 4.769 4.340 0.022 0.000 0.246 1225 Q C 0.751 176.759 176.000 0.014 0.000 0.959 1225 Q CA -0.574 55.233 55.803 0.008 0.000 0.904 1225 Q CB 1.366 30.105 28.738 0.002 0.000 1.238 1225 Q HN 0.302 nan 8.270 nan 0.000 0.469 1226 Q N -0.160 119.648 119.800 0.014 0.000 2.317 1226 Q HA -0.008 4.345 4.340 0.022 0.000 0.220 1226 Q C 0.248 176.258 176.000 0.016 0.000 0.873 1226 Q CA 0.013 55.826 55.803 0.016 0.000 0.936 1226 Q CB 0.753 29.500 28.738 0.015 0.000 1.105 1226 Q HN 0.562 nan 8.270 nan 0.000 0.520 1227 E N 0.167 120.376 120.200 0.015 0.000 4.517 1227 E HA 0.041 4.404 4.350 0.022 0.000 0.408 1227 E C 0.728 177.338 176.600 0.017 0.000 1.456 1227 E CA 0.013 56.422 56.400 0.015 0.000 2.449 1227 E CB 0.545 30.254 29.700 0.014 0.000 1.556 1227 E HN -0.031 nan 8.360 nan 0.000 0.781 1228 I N -0.883 119.697 120.570 0.017 0.000 3.669 1228 I HA 0.073 4.256 4.170 0.022 0.000 0.255 1228 I C -1.318 174.809 176.117 0.018 0.000 1.144 1228 I CA -0.005 61.306 61.300 0.019 0.000 1.447 1228 I CB -0.707 37.304 38.000 0.019 0.000 1.622 1228 I HN 0.403 nan 8.210 nan 0.000 0.435 1229 P HA 0.263 nan 4.420 nan 0.000 0.197 1229 P C -0.745 176.562 177.300 0.013 0.000 1.031 1229 P CA 0.595 63.703 63.100 0.014 0.000 0.994 1229 P CB 0.417 32.125 31.700 0.014 0.000 0.776 1230 N N -1.709 116.998 118.700 0.011 0.000 3.039 1230 N HA 0.385 5.138 4.740 0.022 0.000 0.257 1230 N C 0.295 175.808 175.510 0.005 0.000 1.497 1230 N CA -0.241 52.814 53.050 0.008 0.000 0.861 1230 N CB 0.405 38.896 38.487 0.006 0.000 1.479 1230 N HN -0.027 nan 8.380 nan 0.000 0.547 1231 A N -0.166 122.654 122.820 0.001 0.000 1.898 1231 A HA -0.065 4.269 4.320 0.022 0.000 0.214 1231 A C 1.777 179.356 177.584 -0.009 0.000 1.183 1231 A CA 1.926 53.960 52.037 -0.004 0.000 0.622 1231 A CB -0.820 18.177 19.000 -0.006 0.000 0.824 1231 A HN 0.836 nan 8.150 nan 0.000 0.444 1232 E N 0.534 120.729 120.200 -0.009 0.000 2.150 1232 E HA -0.135 4.228 4.350 0.022 0.000 0.193 1232 E C 1.892 178.482 176.600 -0.017 0.000 0.985 1232 E CA 2.116 58.507 56.400 -0.015 0.000 0.814 1232 E CB -0.528 29.165 29.700 -0.012 0.000 0.752 1232 E HN 0.618 nan 8.360 nan 0.000 0.466 1233 T N -1.649 112.902 114.554 -0.005 0.000 2.942 1233 T HA -0.037 4.326 4.350 0.022 0.000 0.265 1233 T C 1.990 176.692 174.700 0.003 0.000 1.062 1233 T CA 1.087 63.189 62.100 0.003 0.000 1.139 1233 T CB -0.265 68.613 68.868 0.018 0.000 0.883 1233 T HN 0.100 nan 8.240 nan 0.000 0.468 1234 M N 0.909 120.510 119.600 0.001 0.000 2.117 1234 M HA -0.001 4.492 4.480 0.022 0.000 0.262 1234 M C 2.543 178.835 176.300 -0.013 0.000 1.065 1234 M CA 1.597 56.898 55.300 0.001 0.000 1.114 1234 M CB -0.380 32.221 32.600 0.002 0.000 1.361 1234 M HN 0.199 nan 8.290 nan 0.000 0.408 1235 K N -0.118 120.266 120.400 -0.026 0.000 2.057 1235 K HA -0.190 4.143 4.320 0.022 0.000 0.206 1235 K C 2.074 178.631 176.600 -0.071 0.000 1.050 1235 K CA 1.272 57.534 56.287 -0.042 0.000 0.935 1235 K CB -0.205 32.270 32.500 -0.041 0.000 0.715 1235 K HN 0.180 nan 8.250 nan 0.000 0.439 1236 Q N 1.070 120.821 119.800 -0.083 0.000 2.020 1236 Q HA -0.117 4.236 4.340 0.022 0.000 0.202 1236 Q C 1.817 177.676 176.000 -0.235 0.000 0.982 1236 Q CA 2.321 58.024 55.803 -0.166 0.000 0.838 1236 Q CB -0.614 28.047 28.738 -0.129 0.000 0.899 1236 Q HN 0.165 nan 8.270 nan 0.000 0.423 1237 T N 0.706 115.226 114.554 -0.057 0.000 2.720 1237 T HA -0.213 4.150 4.350 0.022 0.000 0.268 1237 T C 1.546 176.274 174.700 0.046 0.000 1.037 1237 T CA 1.520 63.675 62.100 0.092 0.000 1.144 1237 T CB -0.358 68.573 68.868 0.105 0.000 0.864 1237 T HN 0.569 nan 8.240 nan 0.000 0.444 1238 E N 1.355 121.551 120.200 -0.007 0.000 2.058 1238 E HA -0.179 4.184 4.350 0.022 0.000 0.194 1238 E C 2.250 178.837 176.600 -0.021 0.000 0.997 1238 E CA 1.756 58.150 56.400 -0.009 0.000 0.801 1238 E CB -0.145 29.541 29.700 -0.024 0.000 0.746 1238 E HN 0.600 nan 8.360 nan 0.000 0.450 1239 S N -0.818 114.838 115.700 -0.073 0.000 2.423 1239 S HA -0.184 4.299 4.470 0.022 0.000 0.231 1239 S C 1.652 176.229 174.600 -0.039 0.000 1.014 1239 S CA 1.213 59.364 58.200 -0.081 0.000 0.965 1239 S CB -0.653 62.473 63.200 -0.123 0.000 0.785 1239 S HN 0.427 nan 8.310 nan 0.000 0.495 1240 H N 2.132 121.195 119.070 -0.012 0.000 2.253 1240 H HA -0.021 4.548 4.556 0.022 0.000 0.296 1240 H C 2.674 177.995 175.328 -0.010 0.000 1.074 1240 H CA 1.332 57.374 56.048 -0.010 0.000 1.263 1240 H CB -0.442 29.318 29.762 -0.005 0.000 1.363 1240 H HN 0.512 nan 8.280 nan 0.000 0.489 1241 A N 0.440 123.343 122.820 0.139 0.000 1.948 1241 A HA -0.197 4.137 4.320 0.022 0.000 0.220 1241 A C 2.595 180.201 177.584 0.036 0.000 1.177 1241 A CA 1.974 54.050 52.037 0.066 0.000 0.636 1241 A CB -0.882 18.147 19.000 0.048 0.000 0.815 1241 A HN 0.248 nan 8.150 nan 0.000 0.449 1242 V N -0.286 119.642 119.914 0.024 0.000 2.379 1242 V HA -0.244 3.889 4.120 0.022 0.000 0.245 1242 V C 2.397 178.493 176.094 0.003 0.000 1.044 1242 V CA 2.279 64.580 62.300 0.001 0.000 1.036 1242 V CB -0.670 31.140 31.823 -0.021 0.000 0.664 1242 V HN 0.553 nan 8.190 nan 0.000 0.453 1243 K N 0.040 120.450 120.400 0.016 0.000 2.063 1243 K HA -0.131 4.202 4.320 0.022 0.000 0.208 1243 K C 2.027 178.637 176.600 0.017 0.000 1.048 1243 K CA 1.673 57.971 56.287 0.018 0.000 0.928 1243 K CB -0.315 32.210 32.500 0.042 0.000 0.713 1243 K HN 0.389 nan 8.250 nan 0.000 0.442 1244 I N 0.267 120.852 120.570 0.025 0.000 2.179 1244 I HA -0.255 3.928 4.170 0.022 0.000 0.242 1244 I C 2.363 178.481 176.117 0.001 0.000 1.088 1244 I CA 0.991 62.298 61.300 0.011 0.000 1.357 1244 I CB -0.326 37.682 38.000 0.013 0.000 1.051 1244 I HN 0.027 nan 8.210 nan 0.000 0.409 1245 V N 0.539 120.454 119.914 0.003 0.000 2.515 1245 V HA -0.177 3.956 4.120 0.022 0.000 0.250 1245 V C 2.343 178.433 176.094 -0.006 0.000 1.058 1245 V CA 1.509 63.809 62.300 -0.001 0.000 1.064 1245 V CB 0.172 31.997 31.823 0.004 0.000 0.675 1245 V HN 0.203 nan 8.190 nan 0.000 0.461 1246 V N -0.254 119.657 119.914 -0.006 0.000 2.379 1246 V HA -0.135 3.998 4.120 0.022 0.000 0.245 1246 V C 2.655 178.743 176.094 -0.010 0.000 1.044 1246 V CA 2.008 64.303 62.300 -0.009 0.000 1.036 1246 V CB -0.658 31.159 31.823 -0.010 0.000 0.664 1246 V HN 0.525 nan 8.190 nan 0.000 0.453 1247 E N 0.288 120.483 120.200 -0.009 0.000 2.110 1247 E HA -0.175 4.188 4.350 0.022 0.000 0.193 1247 E C 2.345 178.935 176.600 -0.017 0.000 0.988 1247 E CA 1.455 57.848 56.400 -0.012 0.000 0.804 1247 E CB -0.342 29.353 29.700 -0.010 0.000 0.745 1247 E HN 0.558 nan 8.360 nan 0.000 0.458 1248 A N 1.384 124.193 122.820 -0.019 0.000 1.877 1248 A HA -0.100 4.233 4.320 0.022 0.000 0.216 1248 A C 2.436 180.004 177.584 -0.026 0.000 1.186 1248 A CA 2.051 54.072 52.037 -0.027 0.000 0.620 1248 A CB -0.637 18.347 19.000 -0.026 0.000 0.822 1248 A HN 0.272 nan 8.150 nan 0.000 0.443 1249 A N -0.556 122.252 122.820 -0.021 0.000 1.978 1249 A HA -0.201 4.132 4.320 0.022 0.000 0.220 1249 A C 2.209 179.779 177.584 -0.023 0.000 1.170 1249 A CA 1.847 53.870 52.037 -0.023 0.000 0.636 1249 A CB -0.470 18.518 19.000 -0.020 0.000 0.810 1249 A HN 0.536 nan 8.150 nan 0.000 0.448 1250 R N -0.610 119.878 120.500 -0.019 0.000 2.096 1250 R HA -0.065 4.288 4.340 0.022 0.000 0.235 1250 R C 2.182 178.471 176.300 -0.019 0.000 1.127 1250 R CA 1.536 57.626 56.100 -0.017 0.000 0.968 1250 R CB -0.158 30.134 30.300 -0.014 0.000 0.861 1250 R HN 0.535 nan 8.270 nan 0.000 0.440 1251 R N -0.315 120.171 120.500 -0.023 0.000 2.276 1251 R HA 0.022 4.375 4.340 0.022 0.000 0.203 1251 R C 1.300 177.585 176.300 -0.026 0.000 1.017 1251 R CA 0.611 56.696 56.100 -0.025 0.000 1.010 1251 R CB 0.197 30.476 30.300 -0.034 0.000 0.900 1251 R HN 0.240 nan 8.270 nan 0.000 0.469 1252 L N 0.173 121.380 121.223 -0.027 0.000 2.693 1252 L HA 0.232 4.585 4.340 0.022 0.000 0.235 1252 L C 0.551 177.406 176.870 -0.025 0.000 1.127 1252 L CA -0.224 54.600 54.840 -0.027 0.000 0.914 1252 L CB 0.188 42.228 42.059 -0.031 0.000 1.193 1252 L HN 0.042 nan 8.230 nan 0.000 0.502 1253 L N 0.000 121.209 121.223 -0.023 0.000 2.949 1253 L HA 0.000 4.353 4.340 0.022 0.000 0.249 1253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 1253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502