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 3lvp_1_B DATA FIRST_RESID 986 DATA SEQUENCE VYVPDEWEVA REKITMSREL GQGSFGMVYE GVAKGVVKDE PETRVAIKTV DATA SEQUENCE NEAASMRERI EFLNEASVMK EFNCHHVVRL LGVVSQGQPT LVIMELMTRG DATA SEQUENCE DLKSYLRSLR PEXXXXXVLA PPSLSKMIQM AGEIADGMAY LNANKFVHRD DATA SEQUENCE LAARNCMVAE DFTVKIGDFG MTRDIYETDY YRKGGKGLLP VRWMSPESLK DATA SEQUENCE DGVFTTYSDV WSFGVVLWEI ATLAEQPYQG LSNEQVLRFV MEGGLLDKPD DATA SEQUENCE NCPDMLFELM RMCWQYNPKM RPSFLEIISS IKEEMEPGFR EVSFYYSEEN 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 986 V HA 0.000 nan 4.120 nan 0.000 0.244 986 V C 0.000 176.147 176.094 0.088 0.000 1.182 986 V CA 0.000 62.338 62.300 0.064 0.000 1.235 986 V CB 0.000 31.846 31.823 0.039 0.000 1.184 987 Y N 5.377 125.668 120.300 -0.015 0.000 2.336 987 Y HA 0.666 5.216 4.550 -0.001 0.000 0.331 987 Y C -0.106 175.785 175.900 -0.015 0.000 1.211 987 Y CA -0.012 58.073 58.100 -0.025 0.000 1.346 987 Y CB 1.587 40.031 38.460 -0.026 0.000 1.271 987 Y HN 0.511 nan 8.280 nan 0.000 0.538 988 V N 7.786 127.199 119.914 -0.835 0.000 2.350 988 V HA 0.335 4.455 4.120 -0.000 0.000 0.285 988 V C -2.333 173.249 176.094 -0.853 0.000 1.014 988 V CA -2.130 59.809 62.300 -0.602 0.000 0.831 988 V CB 1.021 32.642 31.823 -0.337 0.000 1.000 988 V HN 0.723 nan 8.190 nan 0.000 0.433 989 P HA 0.259 nan 4.420 nan 0.000 0.268 989 P C -0.818 176.413 177.300 -0.115 0.000 1.204 989 P CA 0.219 63.207 63.100 -0.188 0.000 0.768 989 P CB 0.716 32.409 31.700 -0.011 0.000 0.842 990 D N 0.449 120.849 120.400 0.000 0.000 3.344 990 D HA 0.067 4.707 4.640 -0.000 0.000 0.308 990 D C 0.775 177.119 176.300 0.073 0.000 1.356 990 D CA -0.426 53.596 54.000 0.036 0.000 0.998 990 D CB -0.146 40.688 40.800 0.057 0.000 1.370 990 D HN 0.254 nan 8.370 nan 0.000 0.610 991 E N -1.015 119.206 120.200 0.036 0.000 2.396 991 E HA -0.105 4.245 4.350 -0.000 0.000 0.200 991 E C 0.797 177.282 176.600 -0.191 0.000 1.023 991 E CA 1.228 57.565 56.400 -0.105 0.000 0.857 991 E CB -0.205 29.374 29.700 -0.202 0.000 0.775 991 E HN 0.423 nan 8.360 nan 0.000 0.525 992 W N 0.750 122.057 121.300 0.012 0.000 3.003 992 W HA 0.175 4.835 4.660 -0.001 0.000 0.257 992 W C 0.609 177.153 176.519 0.042 0.000 1.308 992 W CA -0.385 56.976 57.345 0.025 0.000 1.529 992 W CB 0.187 29.669 29.460 0.036 0.000 1.115 992 W HN -0.032 nan 8.180 nan 0.000 0.659 993 E N 1.156 121.493 120.200 0.229 0.000 2.392 993 E HA 0.239 4.588 4.350 -0.000 0.000 0.264 993 E C -0.305 176.350 176.600 0.092 0.000 1.024 993 E CA -0.037 56.464 56.400 0.168 0.000 0.903 993 E CB 0.692 30.475 29.700 0.139 0.000 0.963 993 E HN -0.073 nan 8.360 nan 0.000 0.432 994 V N 1.154 121.117 119.914 0.082 0.000 2.823 994 V HA 0.838 4.958 4.120 -0.000 0.000 0.312 994 V C -0.165 175.952 176.094 0.038 0.000 1.072 994 V CA -0.924 61.404 62.300 0.046 0.000 0.937 994 V CB 1.551 33.402 31.823 0.047 0.000 1.013 994 V HN 0.816 nan 8.190 nan 0.000 0.430 995 A N 2.964 125.797 122.820 0.022 0.000 2.488 995 A HA 0.416 4.736 4.320 -0.000 0.000 0.249 995 A C 1.310 178.903 177.584 0.015 0.000 1.083 995 A CA 0.414 52.462 52.037 0.017 0.000 0.768 995 A CB 0.039 19.044 19.000 0.008 0.000 1.017 995 A HN 1.137 nan 8.150 nan 0.000 0.496 996 R N 1.741 122.249 120.500 0.014 0.000 2.094 996 R HA -0.203 4.136 4.340 -0.000 0.000 0.239 996 R C 1.859 178.158 176.300 -0.003 0.000 1.137 996 R CA 2.182 58.286 56.100 0.006 0.000 0.943 996 R CB -0.257 30.045 30.300 0.002 0.000 0.850 996 R HN 0.891 nan 8.270 nan 0.000 0.433 997 E N 1.311 121.508 120.200 -0.004 0.000 2.187 997 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 997 E C 1.471 178.066 176.600 -0.007 0.000 1.004 997 E CA 1.707 58.102 56.400 -0.008 0.000 0.813 997 E CB -0.351 29.345 29.700 -0.007 0.000 0.736 997 E HN 0.546 nan 8.360 nan 0.000 0.468 998 K N 0.232 120.631 120.400 -0.002 0.000 2.097 998 K HA -0.003 4.316 4.320 -0.000 0.000 0.205 998 K C 0.861 177.461 176.600 0.000 0.000 1.050 998 K CA 0.473 56.760 56.287 -0.001 0.000 0.938 998 K CB -0.011 32.491 32.500 0.003 0.000 0.718 998 K HN 0.133 nan 8.250 nan 0.000 0.442 999 I N 2.722 123.292 120.570 0.000 0.000 2.452 999 I HA 0.023 4.193 4.170 -0.000 0.000 0.287 999 I C -0.117 175.988 176.117 -0.019 0.000 1.079 999 I CA 0.622 61.921 61.300 -0.001 0.000 1.387 999 I CB 0.351 38.353 38.000 0.003 0.000 1.404 999 I HN -0.039 nan 8.210 nan 0.000 0.522 1000 T N 7.249 121.792 114.554 -0.017 0.000 2.847 1000 T HA 0.485 4.835 4.350 -0.000 0.000 0.291 1000 T C 0.148 174.828 174.700 -0.034 0.000 0.998 1000 T CA -0.619 61.462 62.100 -0.031 0.000 0.967 1000 T CB 1.302 70.159 68.868 -0.018 0.000 0.954 1000 T HN 0.341 nan 8.240 nan 0.000 0.441 1001 M N 2.442 121.994 119.600 -0.079 0.000 2.143 1001 M HA 0.218 4.697 4.480 -0.000 0.000 0.348 1001 M C 1.101 177.388 176.300 -0.021 0.000 1.375 1001 M CA -0.274 54.975 55.300 -0.084 0.000 1.124 1001 M CB 0.689 33.096 32.600 -0.320 0.000 1.669 1001 M HN 0.571 nan 8.290 nan 0.000 0.469 1002 S N 3.095 118.817 115.700 0.037 0.000 2.425 1002 S HA 0.065 4.534 4.470 -0.000 0.000 0.225 1002 S C 0.489 175.134 174.600 0.076 0.000 1.024 1002 S CA 0.595 58.822 58.200 0.045 0.000 0.951 1002 S CB 0.110 63.336 63.200 0.043 0.000 0.796 1002 S HN 0.825 nan 8.310 nan 0.000 0.498 1003 R N 0.827 121.412 120.500 0.141 0.000 3.012 1003 R HA 0.203 4.543 4.340 -0.000 0.000 0.287 1003 R C -2.132 174.310 176.300 0.238 0.000 0.990 1003 R CA -1.026 55.174 56.100 0.167 0.000 0.839 1003 R CB 0.569 30.922 30.300 0.087 0.000 1.317 1003 R HN 0.188 nan 8.270 nan 0.000 0.518 1004 E N 1.748 122.029 120.200 0.136 0.000 2.277 1004 E HA 0.294 4.643 4.350 -0.000 0.000 0.274 1004 E C -0.139 176.408 176.600 -0.088 0.000 1.022 1004 E CA -0.892 55.443 56.400 -0.108 0.000 0.853 1004 E CB 1.748 31.261 29.700 -0.313 0.000 1.086 1004 E HN 0.528 nan 8.360 nan 0.000 0.397 1005 L N 1.197 122.340 121.223 -0.133 0.000 2.276 1005 L HA 0.353 4.693 4.340 -0.000 0.000 0.194 1005 L C 1.058 177.878 176.870 -0.083 0.000 1.099 1005 L CA 0.790 55.588 54.840 -0.070 0.000 0.800 1005 L CB 0.057 42.091 42.059 -0.042 0.000 0.994 1005 L HN 0.787 nan 8.230 nan 0.000 0.475 1006 G N -1.182 107.549 108.800 -0.114 0.000 2.646 1006 G HA2 0.371 4.331 3.960 -0.000 0.000 0.291 1006 G HA3 0.371 4.331 3.960 -0.000 0.000 0.291 1006 G C -1.926 172.910 174.900 -0.105 0.000 1.445 1006 G CA -0.447 44.599 45.100 -0.090 0.000 0.814 1006 G HN -0.139 nan 8.290 nan 0.000 0.495 1007 Q N 0.067 119.820 119.800 -0.079 0.000 2.281 1007 Q HA 0.539 4.879 4.340 -0.000 0.000 0.267 1007 Q C 0.671 176.644 176.000 -0.045 0.000 1.053 1007 Q CA 0.775 56.537 55.803 -0.069 0.000 0.905 1007 Q CB 0.696 29.403 28.738 -0.052 0.000 1.195 1007 Q HN 0.830 nan 8.270 nan 0.000 0.398 1008 G N 1.587 110.369 108.800 -0.030 0.000 2.642 1008 G HA2 0.315 4.275 3.960 -0.000 0.000 0.291 1008 G HA3 0.315 4.275 3.960 -0.000 0.000 0.291 1008 G C 0.415 175.309 174.900 -0.010 0.000 1.345 1008 G CA -0.145 44.957 45.100 0.004 0.000 1.043 1008 G HN 0.691 nan 8.290 nan 0.000 0.528 1009 S N -0.436 115.256 115.700 -0.014 0.000 2.365 1009 S HA -0.163 4.307 4.470 -0.000 0.000 0.221 1009 S C 1.896 176.358 174.600 -0.230 0.000 1.037 1009 S CA 1.834 59.926 58.200 -0.180 0.000 1.060 1009 S CB -0.472 62.537 63.200 -0.319 0.000 0.974 1009 S HN 0.429 nan 8.310 nan 0.000 0.427 1010 F N 1.616 121.560 119.950 -0.010 0.000 2.664 1010 F HA 0.423 4.949 4.527 -0.000 0.000 0.296 1010 F C 1.456 177.182 175.800 -0.123 0.000 1.125 1010 F CA 0.325 58.279 58.000 -0.076 0.000 1.444 1010 F CB -0.213 38.698 39.000 -0.148 0.000 1.114 1010 F HN 0.421 nan 8.300 nan 0.000 0.576 1011 G N -0.676 108.170 108.800 0.075 0.000 2.315 1011 G HA2 0.326 4.286 3.960 -0.000 0.000 0.294 1011 G HA3 0.326 4.286 3.960 -0.000 0.000 0.294 1011 G C -1.543 173.345 174.900 -0.020 0.000 1.300 1011 G CA -1.200 43.903 45.100 0.004 0.000 0.843 1011 G HN -0.140 nan 8.290 nan 0.000 0.527 1012 M N 0.755 120.322 119.600 -0.055 0.000 2.251 1012 M HA 0.466 4.946 4.480 -0.000 0.000 0.343 1012 M C -0.172 175.988 176.300 -0.234 0.000 1.245 1012 M CA 0.029 55.213 55.300 -0.193 0.000 1.061 1012 M CB 0.615 33.038 32.600 -0.295 0.000 1.723 1012 M HN 0.387 nan 8.290 nan 0.000 0.449 1013 V N 7.554 127.302 119.914 -0.276 0.000 2.435 1013 V HA 0.401 4.521 4.120 -0.000 0.000 0.290 1013 V C -0.630 175.278 176.094 -0.311 0.000 1.030 1013 V CA -0.486 61.725 62.300 -0.149 0.000 0.881 1013 V CB 0.851 32.651 31.823 -0.040 0.000 0.983 1013 V HN 0.810 nan 8.190 nan 0.000 0.445 1014 Y N 1.575 121.892 120.300 0.030 0.000 2.618 1014 Y HA 0.612 5.162 4.550 0.000 0.000 0.326 1014 Y C 0.579 176.494 175.900 0.024 0.000 1.168 1014 Y CA -0.860 57.253 58.100 0.022 0.000 1.269 1014 Y CB 1.163 39.634 38.460 0.018 0.000 1.388 1014 Y HN 0.487 nan 8.280 nan 0.000 0.528 1015 E N 0.619 120.944 120.200 0.207 0.000 2.642 1015 E HA 0.385 4.735 4.350 -0.000 0.000 0.284 1015 E C -1.046 175.615 176.600 0.102 0.000 1.039 1015 E CA -0.084 56.385 56.400 0.115 0.000 0.777 1015 E CB 0.591 30.332 29.700 0.069 0.000 1.473 1015 E HN 0.907 nan 8.360 nan 0.000 0.388 1016 G N 1.443 110.295 108.800 0.087 0.000 3.264 1016 G HA2 0.635 4.595 3.960 -0.000 0.000 0.168 1016 G HA3 0.635 4.595 3.960 -0.000 0.000 0.168 1016 G C -0.787 174.135 174.900 0.038 0.000 1.145 1016 G CA -0.212 44.920 45.100 0.053 0.000 0.855 1016 G HN 0.196 nan 8.290 nan 0.000 0.629 1017 V N -0.226 119.702 119.914 0.024 0.000 2.914 1017 V HA 0.825 4.944 4.120 -0.000 0.000 0.314 1017 V C -0.070 176.034 176.094 0.017 0.000 1.084 1017 V CA -0.504 61.808 62.300 0.020 0.000 0.963 1017 V CB 1.431 33.262 31.823 0.013 0.000 1.025 1017 V HN 1.227 nan 8.190 nan 0.000 0.432 1018 A N 2.799 125.630 122.820 0.018 0.000 2.454 1018 A HA 0.883 5.202 4.320 -0.000 0.000 0.302 1018 A C -0.831 176.760 177.584 0.011 0.000 1.079 1018 A CA -0.828 51.220 52.037 0.017 0.000 0.731 1018 A CB 1.708 20.724 19.000 0.027 0.000 1.299 1018 A HN 0.790 nan 8.150 nan 0.000 0.413 1019 K N 0.085 120.489 120.400 0.006 0.000 2.203 1019 K HA 0.569 4.889 4.320 -0.000 0.000 0.251 1019 K C 0.633 177.231 176.600 -0.004 0.000 0.944 1019 K CA -0.071 56.217 56.287 0.001 0.000 0.829 1019 K CB 1.716 34.215 32.500 -0.002 0.000 1.125 1019 K HN 1.632 nan 8.250 nan 0.000 0.430 1020 G N 0.855 109.649 108.800 -0.009 0.000 2.341 1020 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.292 1020 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.292 1020 G C 0.457 175.342 174.900 -0.026 0.000 1.021 1020 G CA 0.744 45.834 45.100 -0.018 0.000 0.905 1020 G HN 0.501 nan 8.290 nan 0.000 0.508 1021 V N -4.270 115.634 119.914 -0.017 0.000 3.621 1021 V HA 0.584 4.703 4.120 -0.000 0.000 0.263 1021 V C 0.783 176.862 176.094 -0.026 0.000 1.272 1021 V CA 0.559 62.846 62.300 -0.022 0.000 1.080 1021 V CB 0.807 32.634 31.823 0.006 0.000 0.816 1021 V HN 0.464 nan 8.190 nan 0.000 0.451 1022 V N 1.670 121.574 119.914 -0.017 0.000 2.487 1022 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 1022 V C 0.069 176.151 176.094 -0.019 0.000 1.028 1022 V CA -0.989 61.303 62.300 -0.014 0.000 0.860 1022 V CB 1.603 33.426 31.823 0.001 0.000 0.991 1022 V HN 0.365 nan 8.190 nan 0.000 0.427 1023 K N 3.064 123.449 120.400 -0.025 0.000 2.542 1023 K HA -0.020 4.300 4.320 -0.000 0.000 0.276 1023 K C 0.489 177.079 176.600 -0.016 0.000 0.963 1023 K CA 0.756 57.028 56.287 -0.025 0.000 0.975 1023 K CB -0.075 32.410 32.500 -0.025 0.000 0.901 1023 K HN 0.754 nan 8.250 nan 0.000 0.506 1024 D N 1.300 121.691 120.400 -0.016 0.000 2.739 1024 D HA -0.240 4.399 4.640 -0.000 0.000 0.230 1024 D C -0.833 175.462 176.300 -0.008 0.000 1.167 1024 D CA 1.325 55.318 54.000 -0.012 0.000 0.640 1024 D CB -0.778 40.016 40.800 -0.010 0.000 1.045 1024 D HN 0.585 nan 8.370 nan 0.000 0.421 1025 E N -1.183 119.011 120.200 -0.009 0.000 2.432 1025 E HA 0.247 4.597 4.350 -0.000 0.000 0.272 1025 E C -2.068 174.529 176.600 -0.005 0.000 0.937 1025 E CA -1.660 54.737 56.400 -0.005 0.000 0.812 1025 E CB 1.460 31.159 29.700 -0.002 0.000 1.377 1025 E HN -0.229 nan 8.360 nan 0.000 0.399 1026 P HA -0.187 nan 4.420 nan 0.000 0.213 1026 P C -0.473 176.825 177.300 -0.002 0.000 1.176 1026 P CA 1.395 64.492 63.100 -0.004 0.000 0.919 1026 P CB 0.276 31.974 31.700 -0.003 0.000 0.791 1027 E N -2.083 118.118 120.200 0.001 0.000 2.299 1027 E HA 0.550 4.900 4.350 -0.000 0.000 0.260 1027 E C -0.758 175.846 176.600 0.007 0.000 0.944 1027 E CA -0.613 55.789 56.400 0.004 0.000 0.815 1027 E CB 1.902 31.605 29.700 0.005 0.000 1.252 1027 E HN -0.193 nan 8.360 nan 0.000 0.418 1028 T N 0.932 115.492 114.554 0.011 0.000 3.105 1028 T HA 0.258 4.607 4.350 -0.000 0.000 0.321 1028 T C -0.866 173.845 174.700 0.019 0.000 1.135 1028 T CA -0.751 61.358 62.100 0.015 0.000 1.053 1028 T CB 1.476 70.354 68.868 0.017 0.000 1.133 1028 T HN 0.299 nan 8.240 nan 0.000 0.463 1029 R N 2.765 123.276 120.500 0.019 0.000 2.288 1029 R HA 0.523 4.863 4.340 -0.000 0.000 0.330 1029 R C 0.125 176.442 176.300 0.028 0.000 1.069 1029 R CA -0.252 55.861 56.100 0.022 0.000 0.941 1029 R CB -0.154 30.157 30.300 0.017 0.000 0.998 1029 R HN 0.564 nan 8.270 nan 0.000 0.452 1030 V N 0.878 120.814 119.914 0.037 0.000 3.204 1030 V HA 0.932 5.052 4.120 -0.000 0.000 0.316 1030 V C -0.517 175.612 176.094 0.058 0.000 1.160 1030 V CA -1.069 61.259 62.300 0.047 0.000 1.044 1030 V CB 1.827 33.682 31.823 0.053 0.000 1.136 1030 V HN 0.737 nan 8.190 nan 0.000 0.455 1031 A N 1.432 124.291 122.820 0.066 0.000 2.303 1031 A HA 0.850 5.169 4.320 -0.000 0.000 0.320 1031 A C -0.588 177.059 177.584 0.105 0.000 1.192 1031 A CA -0.631 51.454 52.037 0.081 0.000 0.821 1031 A CB 0.502 19.541 19.000 0.065 0.000 1.188 1031 A HN 0.831 nan 8.150 nan 0.000 0.492 1032 I N 2.511 123.168 120.570 0.145 0.000 2.330 1032 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 1032 I C 0.228 176.469 176.117 0.207 0.000 1.025 1032 I CA -0.187 61.216 61.300 0.172 0.000 1.197 1032 I CB 1.288 39.396 38.000 0.179 0.000 1.358 1032 I HN 0.592 nan 8.210 nan 0.000 0.467 1033 K N 5.023 125.543 120.400 0.200 0.000 2.276 1033 K HA 0.356 4.676 4.320 -0.000 0.000 0.285 1033 K C 0.091 176.819 176.600 0.213 0.000 1.062 1033 K CA -0.236 56.194 56.287 0.238 0.000 0.918 1033 K CB 1.022 33.717 32.500 0.324 0.000 1.055 1033 K HN 0.675 nan 8.250 nan 0.000 0.477 1034 T N -0.827 113.766 114.554 0.065 0.000 2.942 1034 T HA 0.519 4.868 4.350 -0.000 0.000 0.289 1034 T C -0.511 173.974 174.700 -0.357 0.000 1.044 1034 T CA -0.838 61.195 62.100 -0.112 0.000 1.023 1034 T CB 1.426 70.333 68.868 0.066 0.000 1.123 1034 T HN 0.119 nan 8.240 nan 0.000 0.512 1035 V N 2.940 122.587 119.914 -0.445 0.000 2.417 1035 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 1035 V C 0.711 176.716 176.094 -0.148 0.000 1.024 1035 V CA -1.155 60.912 62.300 -0.388 0.000 0.861 1035 V CB 1.181 32.689 31.823 -0.525 0.000 0.985 1035 V HN 1.079 nan 8.190 nan 0.000 0.436 1036 N N 3.712 122.374 118.700 -0.064 0.000 2.315 1036 N HA -0.067 4.673 4.740 -0.000 0.000 0.270 1036 N C 1.099 176.592 175.510 -0.028 0.000 1.329 1036 N CA -0.027 53.008 53.050 -0.025 0.000 0.860 1036 N CB 0.585 39.067 38.487 -0.008 0.000 1.095 1036 N HN 0.740 nan 8.380 nan 0.000 0.487 1037 E N 2.795 122.982 120.200 -0.021 0.000 2.171 1037 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 1037 E C 0.728 177.322 176.600 -0.010 0.000 0.997 1037 E CA 1.142 57.532 56.400 -0.018 0.000 0.810 1037 E CB -0.024 29.670 29.700 -0.010 0.000 0.738 1037 E HN 0.698 nan 8.360 nan 0.000 0.467 1038 A N 0.876 123.693 122.820 -0.005 0.000 2.916 1038 A HA 0.434 4.753 4.320 -0.000 0.000 0.254 1038 A C 0.121 177.706 177.584 0.002 0.000 1.544 1038 A CA 0.215 52.252 52.037 -0.000 0.000 1.224 1038 A CB -0.393 18.608 19.000 0.001 0.000 1.012 1038 A HN 0.179 nan 8.150 nan 0.000 0.636 1039 A N 0.124 122.945 122.820 0.002 0.000 2.346 1039 A HA 0.805 5.125 4.320 -0.000 0.000 0.313 1039 A C 0.593 178.186 177.584 0.015 0.000 1.140 1039 A CA 0.057 52.101 52.037 0.012 0.000 0.826 1039 A CB 0.668 19.677 19.000 0.015 0.000 1.332 1039 A HN 0.989 nan 8.150 nan 0.000 0.457 1040 S N -0.177 115.539 115.700 0.026 0.000 2.681 1040 S HA 0.359 4.829 4.470 -0.000 0.000 0.270 1040 S C 1.036 175.656 174.600 0.032 0.000 1.209 1040 S CA 0.306 58.523 58.200 0.027 0.000 0.988 1040 S CB 0.461 63.679 63.200 0.031 0.000 1.006 1040 S HN 0.836 nan 8.310 nan 0.000 0.558 1041 M N 0.664 120.282 119.600 0.031 0.000 2.132 1041 M HA 0.052 4.532 4.480 -0.000 0.000 0.263 1041 M C 2.306 178.633 176.300 0.045 0.000 1.065 1041 M CA 1.397 56.717 55.300 0.033 0.000 1.122 1041 M CB -0.518 32.100 32.600 0.030 0.000 1.365 1041 M HN 0.793 nan 8.290 nan 0.000 0.411 1042 R N 0.084 120.614 120.500 0.049 0.000 2.097 1042 R HA -0.236 4.104 4.340 -0.000 0.000 0.236 1042 R C 2.179 178.533 176.300 0.091 0.000 1.135 1042 R CA 2.415 58.552 56.100 0.062 0.000 0.934 1042 R CB -0.675 29.659 30.300 0.056 0.000 0.846 1042 R HN 0.587 nan 8.270 nan 0.000 0.431 1043 E N -0.192 120.072 120.200 0.106 0.000 2.085 1043 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 1043 E C 2.227 178.935 176.600 0.181 0.000 0.994 1043 E CA 1.450 57.962 56.400 0.187 0.000 0.801 1043 E CB 0.096 29.899 29.700 0.171 0.000 0.743 1043 E HN 0.339 nan 8.360 nan 0.000 0.453 1044 R N -0.023 120.527 120.500 0.083 0.000 2.075 1044 R HA -0.067 4.272 4.340 -0.000 0.000 0.232 1044 R C 2.476 178.804 176.300 0.047 0.000 1.126 1044 R CA 1.243 57.361 56.100 0.030 0.000 0.963 1044 R CB -0.260 30.041 30.300 0.002 0.000 0.858 1044 R HN 0.233 nan 8.270 nan 0.000 0.435 1045 I N 0.864 121.463 120.570 0.048 0.000 2.208 1045 I HA -0.291 3.878 4.170 -0.000 0.000 0.245 1045 I C 2.599 178.730 176.117 0.023 0.000 1.097 1045 I CA 1.352 62.674 61.300 0.037 0.000 1.363 1045 I CB -0.351 37.678 38.000 0.048 0.000 1.051 1045 I HN 0.306 nan 8.210 nan 0.000 0.413 1046 E N 0.954 121.194 120.200 0.067 0.000 2.038 1046 E HA -0.296 4.054 4.350 -0.000 0.000 0.195 1046 E C 2.214 178.804 176.600 -0.016 0.000 1.000 1046 E CA 1.762 58.217 56.400 0.091 0.000 0.803 1046 E CB -0.183 29.662 29.700 0.242 0.000 0.750 1046 E HN 0.381 nan 8.360 nan 0.000 0.448 1047 F N 0.965 120.703 119.950 -0.353 0.000 2.065 1047 F HA -0.258 4.269 4.527 -0.001 0.000 0.298 1047 F C 2.061 177.592 175.800 -0.448 0.000 1.112 1047 F CA 1.307 58.859 58.000 -0.745 0.000 1.212 1047 F CB -0.412 38.057 39.000 -0.885 0.000 0.975 1047 F HN 0.089 nan 8.300 nan 0.000 0.476 1048 L N 0.872 121.908 121.223 -0.313 0.000 2.131 1048 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 1048 L C 2.205 178.838 176.870 -0.394 0.000 1.092 1048 L CA 1.498 56.048 54.840 -0.484 0.000 0.759 1048 L CB -1.320 40.480 42.059 -0.430 0.000 0.903 1048 L HN 0.201 nan 8.230 nan 0.000 0.435 1049 N N -0.437 118.131 118.700 -0.219 0.000 2.166 1049 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 1049 N C 1.651 177.040 175.510 -0.201 0.000 1.019 1049 N CA 1.168 54.134 53.050 -0.140 0.000 0.856 1049 N CB 0.055 38.507 38.487 -0.059 0.000 0.993 1049 N HN 0.532 nan 8.380 nan 0.000 0.426 1050 E N 0.912 120.957 120.200 -0.257 0.000 2.047 1050 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 1050 E C 2.039 178.422 176.600 -0.362 0.000 0.987 1050 E CA 0.864 57.118 56.400 -0.244 0.000 0.799 1050 E CB -0.080 29.506 29.700 -0.191 0.000 0.752 1050 E HN 0.301 nan 8.360 nan 0.000 0.449 1051 A N 1.337 123.855 122.820 -0.503 0.000 1.883 1051 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 1051 A C 2.400 179.688 177.584 -0.493 0.000 1.186 1051 A CA 1.830 53.549 52.037 -0.530 0.000 0.624 1051 A CB -0.716 17.912 19.000 -0.620 0.000 0.822 1051 A HN 0.125 nan 8.150 nan 0.000 0.444 1052 S N -0.627 114.846 115.700 -0.378 0.000 2.380 1052 S HA -0.193 4.277 4.470 -0.000 0.000 0.229 1052 S C 1.914 176.262 174.600 -0.420 0.000 1.043 1052 S CA 1.645 59.673 58.200 -0.287 0.000 1.038 1052 S CB -0.581 62.557 63.200 -0.103 0.000 0.872 1052 S HN 0.382 nan 8.310 nan 0.000 0.456 1053 V N 2.060 121.710 119.914 -0.440 0.000 2.261 1053 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 1053 V C 2.230 177.720 176.094 -1.008 0.000 1.047 1053 V CA 1.969 63.895 62.300 -0.622 0.000 1.015 1053 V CB -0.681 30.847 31.823 -0.493 0.000 0.642 1053 V HN 0.508 nan 8.190 nan 0.000 0.446 1054 M N -0.503 118.581 119.600 -0.860 0.000 2.192 1054 M HA -0.288 4.192 4.480 -0.000 0.000 0.259 1054 M C 2.186 177.979 176.300 -0.845 0.000 1.071 1054 M CA 1.868 56.651 55.300 -0.862 0.000 1.082 1054 M CB -0.684 31.552 32.600 -0.605 0.000 1.373 1054 M HN 0.293 nan 8.290 nan 0.000 0.408 1055 K N 0.047 119.906 120.400 -0.902 0.000 2.160 1055 K HA -0.223 4.097 4.320 -0.000 0.000 0.206 1055 K C 1.813 178.090 176.600 -0.538 0.000 1.047 1055 K CA 1.450 57.142 56.287 -0.991 0.000 0.930 1055 K CB -0.186 31.749 32.500 -0.942 0.000 0.720 1055 K HN 0.217 nan 8.250 nan 0.000 0.450 1056 E N -0.261 119.530 120.200 -0.682 0.000 2.274 1056 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 1056 E C -0.386 175.989 176.600 -0.376 0.000 0.996 1056 E CA 0.615 56.691 56.400 -0.540 0.000 0.840 1056 E CB 0.192 29.456 29.700 -0.726 0.000 0.772 1056 E HN 0.040 nan 8.360 nan 0.000 0.491 1057 F N 0.171 120.004 119.950 -0.195 0.000 2.399 1057 F HA 0.445 4.972 4.527 -0.001 0.000 0.334 1057 F C 0.225 176.090 175.800 0.108 0.000 1.097 1057 F CA -1.365 56.638 58.000 0.004 0.000 1.076 1057 F CB 0.907 39.836 39.000 -0.120 0.000 1.162 1057 F HN -0.256 nan 8.300 nan 0.000 0.495 1058 N N 1.632 120.588 118.700 0.427 0.000 2.751 1058 N HA 0.282 5.021 4.740 -0.000 0.000 0.234 1058 N C -1.891 173.577 175.510 -0.071 0.000 1.403 1058 N CA -0.082 53.076 53.050 0.179 0.000 0.747 1058 N CB 0.635 39.232 38.487 0.184 0.000 1.326 1058 N HN 0.754 nan 8.380 nan 0.000 0.532 1059 C N 1.630 120.829 119.300 -0.169 0.000 2.994 1059 C HA 0.483 4.942 4.460 -0.000 0.000 0.304 1059 C C 1.748 176.694 174.990 -0.073 0.000 1.273 1059 C CA -0.467 58.358 59.018 -0.322 0.000 1.537 1059 C CB 0.903 28.171 27.740 -0.787 0.000 2.001 1059 C HN 0.892 nan 8.230 nan 0.000 0.471 1060 H N 0.888 119.864 119.070 -0.157 0.000 2.421 1060 H HA -0.016 4.539 4.556 -0.001 0.000 0.298 1060 H C 0.783 175.905 175.328 -0.343 0.000 1.087 1060 H CA 2.237 58.138 56.048 -0.244 0.000 1.330 1060 H CB -0.093 29.468 29.762 -0.336 0.000 1.388 1060 H HN 0.807 nan 8.280 nan 0.000 0.526 1061 H N -1.073 117.971 119.070 -0.044 0.000 2.591 1061 H HA 0.416 4.972 4.556 -0.000 0.000 0.302 1061 H C -0.855 174.452 175.328 -0.036 0.000 1.163 1061 H CA -0.065 55.940 56.048 -0.072 0.000 1.049 1061 H CB 0.253 30.022 29.762 0.011 0.000 1.543 1061 H HN -0.027 nan 8.280 nan 0.000 0.523 1062 V N 1.165 121.102 119.914 0.038 0.000 2.555 1062 V HA 0.049 4.169 4.120 -0.000 0.000 0.283 1062 V C -0.092 176.079 176.094 0.129 0.000 1.020 1062 V CA -1.052 61.322 62.300 0.123 0.000 0.883 1062 V CB 1.635 33.548 31.823 0.150 0.000 1.030 1062 V HN 0.111 nan 8.190 nan 0.000 0.448 1063 V N 4.377 124.367 119.914 0.127 0.000 2.814 1063 V HA -0.125 3.994 4.120 -0.000 0.000 0.298 1063 V C 1.075 177.248 176.094 0.132 0.000 1.195 1063 V CA 0.823 63.188 62.300 0.107 0.000 1.323 1063 V CB -0.281 31.614 31.823 0.121 0.000 0.842 1063 V HN 0.866 nan 8.190 nan 0.000 0.494 1064 R N 3.741 124.293 120.500 0.087 0.000 2.390 1064 R HA 0.399 4.739 4.340 -0.000 0.000 0.291 1064 R C -0.465 175.892 176.300 0.095 0.000 1.070 1064 R CA -0.910 55.248 56.100 0.097 0.000 1.014 1064 R CB 0.876 31.235 30.300 0.098 0.000 1.007 1064 R HN 0.605 nan 8.270 nan 0.000 0.466 1065 L N 5.546 126.817 121.223 0.081 0.000 2.319 1065 L HA 0.171 4.511 4.340 -0.000 0.000 0.280 1065 L C 0.165 177.210 176.870 0.291 0.000 1.099 1065 L CA 0.465 55.342 54.840 0.060 0.000 0.828 1065 L CB 1.069 43.002 42.059 -0.210 0.000 1.150 1065 L HN 0.776 nan 8.230 nan 0.000 0.442 1066 L N 4.569 125.933 121.223 0.234 0.000 2.609 1066 L HA 0.531 4.870 4.340 -0.000 0.000 0.230 1066 L C 0.803 177.830 176.870 0.263 0.000 1.087 1066 L CA 0.328 55.311 54.840 0.238 0.000 0.874 1066 L CB 0.112 42.246 42.059 0.125 0.000 1.114 1066 L HN 0.834 nan 8.230 nan 0.000 0.488 1067 G N -0.442 108.534 108.800 0.294 0.000 2.338 1067 G HA2 0.370 4.330 3.960 -0.000 0.000 0.295 1067 G HA3 0.370 4.330 3.960 -0.000 0.000 0.295 1067 G C -2.278 172.732 174.900 0.184 0.000 1.461 1067 G CA -0.234 45.032 45.100 0.277 0.000 0.817 1067 G HN -0.267 nan 8.290 nan 0.000 0.556 1068 V N -0.563 119.456 119.914 0.175 0.000 2.841 1068 V HA 0.818 4.938 4.120 -0.000 0.000 0.310 1068 V C -1.270 174.879 176.094 0.093 0.000 1.090 1068 V CA -0.713 61.637 62.300 0.083 0.000 0.930 1068 V CB 2.028 33.855 31.823 0.007 0.000 1.014 1068 V HN 1.072 nan 8.190 nan 0.000 0.425 1069 V N 6.220 126.170 119.914 0.060 0.000 2.325 1069 V HA 0.426 4.545 4.120 -0.000 0.000 0.280 1069 V C 0.680 176.802 176.094 0.047 0.000 1.016 1069 V CA 0.474 62.811 62.300 0.062 0.000 0.818 1069 V CB 1.314 33.167 31.823 0.050 0.000 1.019 1069 V HN 1.085 nan 8.190 nan 0.000 0.434 1070 S N 2.527 118.269 115.700 0.070 0.000 2.559 1070 S HA 0.140 4.610 4.470 -0.000 0.000 0.226 1070 S C 0.583 175.225 174.600 0.070 0.000 1.000 1070 S CA -0.393 57.846 58.200 0.065 0.000 0.948 1070 S CB 0.242 63.524 63.200 0.137 0.000 0.870 1070 S HN 0.606 nan 8.310 nan 0.000 0.497 1071 Q N 2.484 122.320 119.800 0.061 0.000 3.207 1071 Q HA 0.510 4.850 4.340 -0.000 0.000 0.335 1071 Q C 0.454 176.471 176.000 0.027 0.000 1.374 1071 Q CA 0.235 56.065 55.803 0.046 0.000 1.023 1071 Q CB -0.381 28.384 28.738 0.044 0.000 1.576 1071 Q HN 0.678 nan 8.270 nan 0.000 0.515 1072 G N 1.602 110.415 108.800 0.022 0.000 3.225 1072 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 1072 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 1072 G C -0.680 174.220 174.900 0.001 0.000 1.105 1072 G CA -1.088 44.019 45.100 0.010 0.000 0.831 1072 G HN 0.287 nan 8.290 nan 0.000 0.578 1073 Q N 0.678 120.475 119.800 -0.006 0.000 2.658 1073 Q HA 0.017 4.357 4.340 -0.000 0.000 0.367 1073 Q C -1.989 174.000 176.000 -0.019 0.000 1.107 1073 Q CA 0.388 56.182 55.803 -0.016 0.000 1.128 1073 Q CB 0.036 28.765 28.738 -0.014 0.000 1.099 1073 Q HN 0.484 nan 8.270 nan 0.000 0.418 1074 P HA 0.165 nan 4.420 nan 0.000 0.297 1074 P C -0.856 176.418 177.300 -0.043 0.000 1.319 1074 P CA -0.475 62.602 63.100 -0.039 0.000 0.810 1074 P CB 0.947 32.626 31.700 -0.035 0.000 0.947 1075 T N 4.477 118.993 114.554 -0.064 0.000 2.831 1075 T HA 0.295 4.644 4.350 -0.000 0.000 0.291 1075 T C 0.235 174.906 174.700 -0.050 0.000 0.981 1075 T CA 0.489 62.564 62.100 -0.042 0.000 1.174 1075 T CB -0.623 68.210 68.868 -0.057 0.000 0.929 1075 T HN 0.246 nan 8.240 nan 0.000 0.532 1076 L N 1.892 123.158 121.223 0.072 0.000 2.415 1076 L HA 0.954 5.293 4.340 -0.000 0.000 0.256 1076 L C -0.803 176.207 176.870 0.234 0.000 1.010 1076 L CA -1.236 53.697 54.840 0.155 0.000 0.826 1076 L CB 1.242 43.346 42.059 0.076 0.000 1.405 1076 L HN 0.285 nan 8.230 nan 0.000 0.410 1077 V N 1.358 121.445 119.914 0.288 0.000 2.919 1077 V HA 0.634 4.754 4.120 -0.000 0.000 0.316 1077 V C -0.813 175.346 176.094 0.108 0.000 1.077 1077 V CA -0.378 61.989 62.300 0.111 0.000 0.977 1077 V CB 2.127 33.916 31.823 -0.057 0.000 1.039 1077 V HN 0.664 nan 8.190 nan 0.000 0.441 1078 I N 3.573 124.188 120.570 0.075 0.000 2.418 1078 I HA 0.584 4.754 4.170 -0.000 0.000 0.287 1078 I C -0.143 176.022 176.117 0.080 0.000 1.008 1078 I CA 0.158 61.509 61.300 0.085 0.000 1.104 1078 I CB 1.551 39.602 38.000 0.086 0.000 1.264 1078 I HN 0.499 nan 8.210 nan 0.000 0.438 1079 M N 3.608 123.254 119.600 0.077 0.000 2.667 1079 M HA 0.401 4.880 4.480 -0.000 0.000 0.286 1079 M C -0.258 176.081 176.300 0.065 0.000 1.270 1079 M CA -0.911 54.432 55.300 0.073 0.000 0.826 1079 M CB 2.131 34.772 32.600 0.068 0.000 1.743 1079 M HN 0.466 nan 8.290 nan 0.000 0.460 1080 E N 2.183 122.419 120.200 0.061 0.000 2.498 1080 E HA 0.068 4.418 4.350 -0.000 0.000 0.252 1080 E C -1.120 175.498 176.600 0.030 0.000 1.025 1080 E CA -0.091 56.335 56.400 0.043 0.000 0.938 1080 E CB 0.521 30.243 29.700 0.037 0.000 0.947 1080 E HN 0.544 nan 8.360 nan 0.000 0.478 1081 L N 5.452 126.689 121.223 0.023 0.000 2.499 1081 L HA 0.020 4.360 4.340 -0.000 0.000 0.273 1081 L C -0.124 176.739 176.870 -0.011 0.000 1.195 1081 L CA 0.205 55.053 54.840 0.013 0.000 0.882 1081 L CB 0.420 42.487 42.059 0.012 0.000 1.133 1081 L HN 0.757 nan 8.230 nan 0.000 0.483 1082 M N 4.785 124.374 119.600 -0.017 0.000 2.325 1082 M HA 0.105 4.585 4.480 -0.000 0.000 0.305 1082 M C 1.322 177.590 176.300 -0.053 0.000 1.047 1082 M CA -0.326 54.946 55.300 -0.047 0.000 0.981 1082 M CB 0.256 32.831 32.600 -0.042 0.000 1.307 1082 M HN 0.695 nan 8.290 nan 0.000 0.418 1083 T N -0.220 114.297 114.554 -0.062 0.000 2.714 1083 T HA -0.213 4.136 4.350 -0.000 0.000 0.268 1083 T C 1.477 176.136 174.700 -0.068 0.000 1.036 1083 T CA 1.536 63.600 62.100 -0.059 0.000 1.148 1083 T CB -0.104 68.721 68.868 -0.072 0.000 0.856 1083 T HN 0.638 nan 8.240 nan 0.000 0.462 1084 R N 1.442 121.876 120.500 -0.111 0.000 2.275 1084 R HA 0.410 4.750 4.340 -0.000 0.000 0.199 1084 R C 1.715 177.997 176.300 -0.030 0.000 0.989 1084 R CA 0.301 56.344 56.100 -0.095 0.000 1.016 1084 R CB -0.437 29.727 30.300 -0.226 0.000 0.918 1084 R HN 0.658 nan 8.270 nan 0.000 0.473 1085 G N 2.376 111.153 108.800 -0.037 0.000 2.615 1085 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 1085 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 1085 G C -0.948 173.949 174.900 -0.005 0.000 1.339 1085 G CA -0.250 44.847 45.100 -0.006 0.000 0.884 1085 G HN 0.443 nan 8.290 nan 0.000 0.559 1086 D N 0.352 120.763 120.400 0.018 0.000 2.424 1086 D HA 0.213 4.853 4.640 -0.000 0.000 0.244 1086 D C 1.765 178.106 176.300 0.068 0.000 1.134 1086 D CA -0.069 53.943 54.000 0.021 0.000 0.881 1086 D CB 1.597 42.407 40.800 0.016 0.000 1.191 1086 D HN 0.684 nan 8.370 nan 0.000 0.445 1087 L N 2.968 124.226 121.223 0.058 0.000 2.089 1087 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 1087 L C 2.429 179.419 176.870 0.200 0.000 1.079 1087 L CA 2.044 56.960 54.840 0.128 0.000 0.758 1087 L CB -0.801 41.308 42.059 0.085 0.000 0.891 1087 L HN 0.659 nan 8.230 nan 0.000 0.433 1088 K N -1.150 119.330 120.400 0.134 0.000 1.985 1088 K HA -0.154 4.165 4.320 -0.000 0.000 0.210 1088 K C 2.115 178.786 176.600 0.118 0.000 1.047 1088 K CA 1.729 58.094 56.287 0.130 0.000 0.932 1088 K CB -0.318 32.246 32.500 0.106 0.000 0.716 1088 K HN 0.337 nan 8.250 nan 0.000 0.439 1089 S N 0.032 115.794 115.700 0.104 0.000 2.392 1089 S HA -0.218 4.252 4.470 -0.000 0.000 0.232 1089 S C 1.603 176.265 174.600 0.104 0.000 1.041 1089 S CA 1.627 59.878 58.200 0.086 0.000 1.026 1089 S CB -0.553 62.693 63.200 0.076 0.000 0.845 1089 S HN 0.446 nan 8.310 nan 0.000 0.465 1090 Y N 2.164 122.482 120.300 0.030 0.000 2.070 1090 Y HA -0.100 4.450 4.550 -0.001 0.000 0.279 1090 Y C 1.961 177.889 175.900 0.046 0.000 1.134 1090 Y CA 1.400 59.524 58.100 0.040 0.000 1.113 1090 Y CB -0.748 37.740 38.460 0.047 0.000 0.981 1090 Y HN 0.120 nan 8.280 nan 0.000 0.487 1091 L N 0.062 121.271 121.223 -0.024 0.000 2.137 1091 L HA -0.304 4.035 4.340 -0.000 0.000 0.213 1091 L C 2.696 179.487 176.870 -0.132 0.000 1.085 1091 L CA 1.271 56.043 54.840 -0.113 0.000 0.760 1091 L CB -0.591 41.495 42.059 0.045 0.000 0.893 1091 L HN 0.244 nan 8.230 nan 0.000 0.434 1092 R N 0.134 120.597 120.500 -0.063 0.000 2.070 1092 R HA -0.126 4.214 4.340 -0.000 0.000 0.233 1092 R C 2.570 178.820 176.300 -0.083 0.000 1.137 1092 R CA 1.810 57.883 56.100 -0.046 0.000 0.945 1092 R CB -1.004 29.295 30.300 -0.001 0.000 0.845 1092 R HN 0.525 nan 8.270 nan 0.000 0.430 1093 S N 1.093 116.729 115.700 -0.107 0.000 2.440 1093 S HA -0.075 4.394 4.470 -0.000 0.000 0.238 1093 S C 1.830 176.350 174.600 -0.134 0.000 1.010 1093 S CA 0.859 58.997 58.200 -0.103 0.000 0.972 1093 S CB -0.481 62.668 63.200 -0.084 0.000 0.774 1093 S HN 0.277 nan 8.310 nan 0.000 0.501 1094 L N 0.823 121.923 121.223 -0.205 0.000 2.682 1094 L HA 0.246 4.585 4.340 -0.000 0.000 0.240 1094 L C 0.508 177.313 176.870 -0.109 0.000 1.178 1094 L CA 0.007 54.742 54.840 -0.174 0.000 0.970 1094 L CB -0.530 41.385 42.059 -0.240 0.000 1.179 1094 L HN 0.150 nan 8.230 nan 0.000 0.435 1095 R N 0.528 120.976 120.500 -0.086 0.000 2.393 1095 R HA 0.280 4.620 4.340 -0.000 0.000 0.310 1095 R C -1.103 175.169 176.300 -0.047 0.000 0.968 1095 R CA -1.570 54.492 56.100 -0.064 0.000 0.867 1095 R CB 0.900 31.166 30.300 -0.055 0.000 1.124 1095 R HN -0.153 nan 8.270 nan 0.000 0.450 1096 P HA -0.252 nan 4.420 nan 0.000 0.216 1096 P C -0.300 176.985 177.300 -0.024 0.000 1.167 1096 P CA 1.421 64.502 63.100 -0.031 0.000 0.914 1096 P CB 0.287 31.969 31.700 -0.030 0.000 0.793 1104 L N 0.133 121.376 121.223 0.034 0.000 2.665 1104 L HA 0.967 5.307 4.340 -0.000 0.000 0.201 1104 L C 0.299 177.167 176.870 -0.003 0.000 1.805 1104 L CA 0.652 55.517 54.840 0.042 0.000 3.015 1104 L CB 0.433 42.540 42.059 0.079 0.000 2.866 1104 L HN 0.570 nan 8.230 nan 0.000 0.765 1105 A N -1.206 121.599 122.820 -0.025 0.000 2.571 1105 A HA 0.556 4.876 4.320 -0.000 0.000 0.296 1105 A C -2.774 174.775 177.584 -0.057 0.000 1.005 1105 A CA -0.672 51.339 52.037 -0.042 0.000 0.682 1105 A CB -0.273 18.705 19.000 -0.036 0.000 1.292 1105 A HN 0.322 nan 8.150 nan 0.000 0.420 1106 P HA 0.348 nan 4.420 nan 0.000 0.265 1106 P C -2.402 174.869 177.300 -0.049 0.000 1.187 1106 P CA -0.099 62.962 63.100 -0.065 0.000 0.766 1106 P CB -0.246 31.416 31.700 -0.064 0.000 0.820 1107 P HA 0.060 nan 4.420 nan 0.000 0.269 1107 P C -0.168 177.114 177.300 -0.031 0.000 1.209 1107 P CA -0.037 63.053 63.100 -0.018 0.000 0.776 1107 P CB 0.385 32.098 31.700 0.022 0.000 0.876 1108 S N 2.619 118.299 115.700 -0.034 0.000 2.652 1108 S HA 0.163 4.633 4.470 -0.000 0.000 0.270 1108 S C 1.162 175.744 174.600 -0.030 0.000 1.243 1108 S CA -0.786 57.393 58.200 -0.035 0.000 0.999 1108 S CB 0.363 63.541 63.200 -0.037 0.000 0.973 1108 S HN 0.432 nan 8.310 nan 0.000 0.544 1109 L N 1.114 122.318 121.223 -0.031 0.000 2.137 1109 L HA -0.121 4.219 4.340 -0.000 0.000 0.213 1109 L C 2.071 178.925 176.870 -0.027 0.000 1.085 1109 L CA 2.076 56.899 54.840 -0.029 0.000 0.760 1109 L CB -1.470 40.573 42.059 -0.028 0.000 0.893 1109 L HN 0.898 nan 8.230 nan 0.000 0.434 1110 S N -0.465 115.218 115.700 -0.028 0.000 2.362 1110 S HA -0.072 4.398 4.470 -0.000 0.000 0.221 1110 S C 1.729 176.315 174.600 -0.024 0.000 1.032 1110 S CA 0.613 58.796 58.200 -0.028 0.000 0.973 1110 S CB 0.102 63.285 63.200 -0.028 0.000 0.849 1110 S HN 0.422 nan 8.310 nan 0.000 0.465 1111 K N 0.979 121.366 120.400 -0.022 0.000 2.280 1111 K HA 0.033 4.352 4.320 -0.000 0.000 0.202 1111 K C 1.809 178.415 176.600 0.009 0.000 1.047 1111 K CA 0.903 57.182 56.287 -0.012 0.000 0.942 1111 K CB -0.312 32.173 32.500 -0.026 0.000 0.739 1111 K HN 0.452 nan 8.250 nan 0.000 0.457 1112 M N 0.027 119.627 119.600 -0.000 0.000 2.248 1112 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 1112 M C 1.908 178.208 176.300 -0.001 0.000 1.079 1112 M CA 0.814 56.117 55.300 0.004 0.000 1.150 1112 M CB -0.131 32.462 32.600 -0.012 0.000 1.366 1112 M HN -0.064 nan 8.290 nan 0.000 0.433 1113 I N 0.634 121.194 120.570 -0.017 0.000 2.264 1113 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 1113 I C 2.452 178.545 176.117 -0.041 0.000 1.111 1113 I CA 1.666 62.948 61.300 -0.030 0.000 1.382 1113 I CB -1.396 36.573 38.000 -0.051 0.000 1.060 1113 I HN 0.364 nan 8.210 nan 0.000 0.418 1114 Q N 0.838 120.619 119.800 -0.031 0.000 2.084 1114 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 1114 Q C 2.261 178.278 176.000 0.029 0.000 0.978 1114 Q CA 1.686 57.476 55.803 -0.021 0.000 0.844 1114 Q CB -0.202 28.544 28.738 0.013 0.000 0.898 1114 Q HN 0.440 nan 8.270 nan 0.000 0.426 1115 M N -0.823 118.806 119.600 0.049 0.000 2.132 1115 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 1115 M C 2.147 178.503 176.300 0.094 0.000 1.065 1115 M CA 1.462 56.808 55.300 0.077 0.000 1.122 1115 M CB -0.365 32.280 32.600 0.075 0.000 1.365 1115 M HN 0.343 nan 8.290 nan 0.000 0.411 1116 A N 0.489 123.361 122.820 0.088 0.000 1.877 1116 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 1116 A C 2.325 180.044 177.584 0.224 0.000 1.186 1116 A CA 1.973 54.129 52.037 0.198 0.000 0.620 1116 A CB -1.563 17.536 19.000 0.166 0.000 0.822 1116 A HN 0.552 nan 8.150 nan 0.000 0.443 1117 G N -0.515 108.310 108.800 0.041 0.000 2.422 1117 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 1117 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 1117 G C 1.428 176.318 174.900 -0.017 0.000 1.146 1117 G CA 0.977 46.023 45.100 -0.090 0.000 0.769 1117 G HN 0.676 nan 8.290 nan 0.000 0.547 1118 E N 0.142 120.351 120.200 0.016 0.000 2.047 1118 E HA -0.039 4.310 4.350 -0.000 0.000 0.191 1118 E C 2.544 179.105 176.600 -0.065 0.000 0.987 1118 E CA 0.613 56.958 56.400 -0.091 0.000 0.799 1118 E CB -0.158 29.633 29.700 0.152 0.000 0.752 1118 E HN 0.446 nan 8.360 nan 0.000 0.449 1119 I N 1.497 122.118 120.570 0.086 0.000 2.208 1119 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 1119 I C 2.651 178.786 176.117 0.030 0.000 1.097 1119 I CA 0.993 62.359 61.300 0.109 0.000 1.363 1119 I CB -0.447 37.700 38.000 0.246 0.000 1.051 1119 I HN 0.079 nan 8.210 nan 0.000 0.413 1120 A N 0.607 123.472 122.820 0.075 0.000 1.883 1120 A HA -0.321 3.998 4.320 -0.000 0.000 0.217 1120 A C 1.985 179.512 177.584 -0.094 0.000 1.186 1120 A CA 2.433 54.409 52.037 -0.102 0.000 0.624 1120 A CB -0.835 18.123 19.000 -0.071 0.000 0.822 1120 A HN 0.447 nan 8.150 nan 0.000 0.444 1121 D N -0.857 119.549 120.400 0.011 0.000 2.103 1121 D HA -0.086 4.553 4.640 -0.000 0.000 0.190 1121 D C 2.066 178.369 176.300 0.004 0.000 0.997 1121 D CA 2.118 56.172 54.000 0.090 0.000 0.833 1121 D CB -0.617 40.198 40.800 0.025 0.000 0.961 1121 D HN 0.298 nan 8.370 nan 0.000 0.447 1122 G N 0.237 109.014 108.800 -0.039 0.000 2.529 1122 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 1122 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 1122 G C 1.566 176.359 174.900 -0.179 0.000 1.177 1122 G CA 1.359 46.447 45.100 -0.021 0.000 0.773 1122 G HN 0.212 nan 8.290 nan 0.000 0.573 1123 M N 1.049 120.406 119.600 -0.404 0.000 2.159 1123 M HA 0.037 4.516 4.480 -0.000 0.000 0.263 1123 M C 3.009 178.919 176.300 -0.650 0.000 1.063 1123 M CA 1.226 56.073 55.300 -0.755 0.000 1.110 1123 M CB -1.244 30.367 32.600 -1.649 0.000 1.374 1123 M HN 0.338 nan 8.290 nan 0.000 0.411 1124 A N -1.132 121.436 122.820 -0.420 0.000 2.019 1124 A HA -0.205 4.114 4.320 -0.000 0.000 0.219 1124 A C 2.063 179.536 177.584 -0.185 0.000 1.164 1124 A CA 1.217 53.229 52.037 -0.042 0.000 0.644 1124 A CB -0.912 18.227 19.000 0.231 0.000 0.805 1124 A HN 0.529 nan 8.150 nan 0.000 0.449 1125 Y N 0.337 120.306 120.300 -0.552 0.000 2.206 1125 Y HA -0.005 4.544 4.550 -0.001 0.000 0.292 1125 Y C 1.866 177.488 175.900 -0.462 0.000 1.123 1125 Y CA 1.296 58.824 58.100 -0.953 0.000 1.142 1125 Y CB -0.356 37.615 38.460 -0.815 0.000 1.006 1125 Y HN 0.186 nan 8.280 nan 0.000 0.518 1126 L N 0.272 121.188 121.223 -0.512 0.000 2.012 1126 L HA -0.286 4.054 4.340 -0.000 0.000 0.210 1126 L C 1.927 178.707 176.870 -0.151 0.000 1.073 1126 L CA 2.153 56.741 54.840 -0.419 0.000 0.748 1126 L CB -0.784 41.078 42.059 -0.328 0.000 0.891 1126 L HN 0.319 nan 8.230 nan 0.000 0.431 1127 N N -0.242 118.382 118.700 -0.125 0.000 2.309 1127 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 1127 N C 1.859 177.338 175.510 -0.052 0.000 1.018 1127 N CA 0.845 53.876 53.050 -0.032 0.000 0.876 1127 N CB -0.101 38.423 38.487 0.063 0.000 0.972 1127 N HN 0.304 nan 8.380 nan 0.000 0.434 1128 A N 0.724 123.482 122.820 -0.103 0.000 2.015 1128 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 1128 A C 1.375 178.934 177.584 -0.041 0.000 1.163 1128 A CA 1.047 53.073 52.037 -0.019 0.000 0.646 1128 A CB -0.190 18.828 19.000 0.030 0.000 0.806 1128 A HN 0.328 nan 8.150 nan 0.000 0.448 1129 N N -0.322 118.307 118.700 -0.118 0.000 2.320 1129 N HA 0.135 4.875 4.740 -0.000 0.000 0.237 1129 N C -0.798 174.656 175.510 -0.093 0.000 1.129 1129 N CA -0.182 52.849 53.050 -0.031 0.000 0.854 1129 N CB 0.130 38.639 38.487 0.036 0.000 1.083 1129 N HN 0.289 nan 8.380 nan 0.000 0.504 1130 K N 0.254 120.573 120.400 -0.134 0.000 3.071 1130 K HA -0.189 4.131 4.320 -0.000 0.000 0.265 1130 K C -1.134 175.205 176.600 -0.435 0.000 1.060 1130 K CA 0.721 56.847 56.287 -0.268 0.000 0.767 1130 K CB -1.386 30.960 32.500 -0.256 0.000 1.241 1130 K HN 0.183 nan 8.250 nan 0.000 0.486 1131 F N -0.374 119.536 119.950 -0.067 0.000 2.495 1131 F HA 0.423 4.950 4.527 -0.000 0.000 0.327 1131 F C 0.281 176.067 175.800 -0.023 0.000 1.103 1131 F CA -0.996 56.995 58.000 -0.014 0.000 0.949 1131 F CB 1.818 40.880 39.000 0.102 0.000 1.142 1131 F HN -0.181 nan 8.300 nan 0.000 0.457 1132 V N 4.503 124.534 119.914 0.194 0.000 2.417 1132 V HA 0.230 4.350 4.120 -0.000 0.000 0.291 1132 V C 0.685 176.893 176.094 0.191 0.000 1.024 1132 V CA -0.180 62.211 62.300 0.152 0.000 0.861 1132 V CB 1.143 33.017 31.823 0.085 0.000 0.985 1132 V HN 0.916 nan 8.190 nan 0.000 0.436 1133 H N 6.098 125.234 119.070 0.111 0.000 2.403 1133 H HA 0.034 4.590 4.556 -0.001 0.000 0.298 1133 H C 1.548 176.912 175.328 0.059 0.000 1.059 1133 H CA 1.799 57.897 56.048 0.082 0.000 1.363 1133 H CB 0.361 30.144 29.762 0.036 0.000 1.410 1133 H HN 0.844 nan 8.280 nan 0.000 0.528 1134 R N -0.471 120.187 120.500 0.264 0.000 4.010 1134 R HA -0.210 4.130 4.340 -0.000 0.000 0.409 1134 R C -0.346 176.090 176.300 0.227 0.000 1.120 1134 R CA 1.320 57.524 56.100 0.174 0.000 1.244 1134 R CB -1.520 28.638 30.300 -0.237 0.000 1.799 1134 R HN 0.336 nan 8.270 nan 0.000 0.559 1135 D N -0.239 120.411 120.400 0.416 0.000 3.118 1135 D HA 0.115 4.754 4.640 -0.000 0.000 0.352 1135 D C -1.025 175.428 176.300 0.255 0.000 1.498 1135 D CA -0.459 53.709 54.000 0.281 0.000 0.759 1135 D CB 0.311 41.167 40.800 0.093 0.000 1.251 1135 D HN 0.038 nan 8.370 nan 0.000 0.504 1136 L N 1.798 123.122 121.223 0.168 0.000 2.455 1136 L HA 0.658 4.997 4.340 -0.000 0.000 0.272 1136 L C -0.491 176.379 176.870 -0.000 0.000 1.174 1136 L CA 0.236 55.010 54.840 -0.109 0.000 0.869 1136 L CB 0.339 42.382 42.059 -0.027 0.000 1.130 1136 L HN 0.254 nan 8.230 nan 0.000 0.474 1137 A N 3.921 126.675 122.820 -0.110 0.000 2.590 1137 A HA 0.628 4.948 4.320 -0.000 0.000 0.296 1137 A C 0.545 178.097 177.584 -0.054 0.000 1.050 1137 A CA -0.177 51.772 52.037 -0.147 0.000 0.697 1137 A CB 0.158 18.627 19.000 -0.884 0.000 1.277 1137 A HN 1.233 nan 8.150 nan 0.000 0.411 1138 A N 1.479 124.358 122.820 0.098 0.000 1.971 1138 A HA -0.251 4.069 4.320 -0.000 0.000 0.222 1138 A C 1.963 179.558 177.584 0.018 0.000 1.182 1138 A CA 2.431 54.519 52.037 0.085 0.000 0.649 1138 A CB -0.671 18.428 19.000 0.165 0.000 0.818 1138 A HN 1.305 nan 8.150 nan 0.000 0.458 1139 R N -0.970 119.508 120.500 -0.036 0.000 2.189 1139 R HA -0.017 4.322 4.340 -0.000 0.000 0.223 1139 R C 0.522 176.774 176.300 -0.079 0.000 1.092 1139 R CA 1.497 57.563 56.100 -0.057 0.000 0.989 1139 R CB -0.418 29.818 30.300 -0.108 0.000 0.876 1139 R HN 0.393 nan 8.270 nan 0.000 0.457 1140 N N -0.048 118.587 118.700 -0.108 0.000 2.235 1140 N HA 0.116 4.856 4.740 -0.000 0.000 0.209 1140 N C -0.711 174.721 175.510 -0.131 0.000 1.122 1140 N CA -0.046 52.935 53.050 -0.115 0.000 0.845 1140 N CB 0.502 38.928 38.487 -0.103 0.000 1.004 1140 N HN 0.151 nan 8.380 nan 0.000 0.499 1141 C N 0.668 119.916 119.300 -0.086 0.000 2.486 1141 C HA 0.663 5.122 4.460 -0.000 0.000 0.348 1141 C C 0.118 175.080 174.990 -0.046 0.000 1.203 1141 C CA -0.728 58.246 59.018 -0.072 0.000 1.911 1141 C CB 1.437 29.156 27.740 -0.036 0.000 2.340 1141 C HN 0.187 nan 8.230 nan 0.000 0.511 1142 M N 1.309 120.881 119.600 -0.047 0.000 2.550 1142 M HA 0.518 4.997 4.480 -0.000 0.000 0.292 1142 M C -1.482 174.767 176.300 -0.086 0.000 1.221 1142 M CA -0.575 54.693 55.300 -0.053 0.000 0.873 1142 M CB 1.804 34.378 32.600 -0.043 0.000 1.727 1142 M HN 0.250 nan 8.290 nan 0.000 0.459 1143 V N 1.514 121.343 119.914 -0.140 0.000 2.384 1143 V HA 0.697 4.817 4.120 -0.000 0.000 0.287 1143 V C 0.314 176.275 176.094 -0.223 0.000 1.020 1143 V CA -0.682 61.480 62.300 -0.231 0.000 0.850 1143 V CB 1.170 32.697 31.823 -0.493 0.000 0.987 1143 V HN 1.007 nan 8.190 nan 0.000 0.436 1144 A N 2.965 125.671 122.820 -0.190 0.000 2.259 1144 A HA 0.504 4.824 4.320 -0.000 0.000 0.278 1144 A C 1.280 178.703 177.584 -0.268 0.000 1.107 1144 A CA -0.024 51.909 52.037 -0.173 0.000 0.828 1144 A CB 0.266 19.196 19.000 -0.116 0.000 1.111 1144 A HN 0.898 nan 8.150 nan 0.000 0.498 1145 E N 0.156 120.226 120.200 -0.216 0.000 2.118 1145 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 1145 E C 1.108 177.519 176.600 -0.316 0.000 0.992 1145 E CA 2.022 58.260 56.400 -0.269 0.000 0.804 1145 E CB -0.088 29.531 29.700 -0.135 0.000 0.741 1145 E HN 0.713 nan 8.360 nan 0.000 0.458 1146 D N -1.266 119.054 120.400 -0.133 0.000 2.336 1146 D HA -0.128 4.512 4.640 -0.000 0.000 0.229 1146 D C 0.051 176.470 176.300 0.198 0.000 1.061 1146 D CA 0.038 54.067 54.000 0.047 0.000 0.875 1146 D CB -0.378 40.470 40.800 0.080 0.000 0.904 1146 D HN 0.302 nan 8.370 nan 0.000 0.525 1147 F N -1.168 118.756 119.950 -0.042 0.000 2.544 1147 F HA -0.242 4.285 4.527 -0.000 0.000 0.389 1147 F C 0.731 176.489 175.800 -0.070 0.000 0.588 1147 F CA 0.709 58.659 58.000 -0.082 0.000 1.461 1147 F CB -2.364 36.619 39.000 -0.029 0.000 1.995 1147 F HN -0.103 nan 8.300 nan 0.000 0.282 1148 T N 1.452 116.051 114.554 0.075 0.000 2.900 1148 T HA 0.475 4.825 4.350 -0.000 0.000 0.307 1148 T C 0.378 175.079 174.700 0.002 0.000 1.065 1148 T CA -0.003 62.133 62.100 0.060 0.000 1.105 1148 T CB 1.269 70.129 68.868 -0.014 0.000 0.979 1148 T HN 0.019 nan 8.240 nan 0.000 0.544 1149 V N 3.753 123.701 119.914 0.058 0.000 2.628 1149 V HA 0.627 4.747 4.120 -0.000 0.000 0.306 1149 V C -0.150 175.983 176.094 0.065 0.000 1.045 1149 V CA -0.715 61.605 62.300 0.033 0.000 0.905 1149 V CB 1.867 33.724 31.823 0.057 0.000 0.997 1149 V HN 0.790 nan 8.190 nan 0.000 0.436 1150 K N 2.996 123.404 120.400 0.013 0.000 2.551 1150 K HA 0.566 4.886 4.320 -0.000 0.000 0.269 1150 K C -1.687 174.903 176.600 -0.016 0.000 0.949 1150 K CA -0.993 55.307 56.287 0.022 0.000 0.849 1150 K CB 2.470 34.951 32.500 -0.031 0.000 1.411 1150 K HN 0.361 nan 8.250 nan 0.000 0.432 1151 I N 2.057 122.613 120.570 -0.025 0.000 2.587 1151 I HA 0.007 4.177 4.170 -0.000 0.000 0.284 1151 I C 1.322 177.333 176.117 -0.177 0.000 1.134 1151 I CA 0.774 61.988 61.300 -0.143 0.000 1.410 1151 I CB 0.635 38.531 38.000 -0.174 0.000 1.392 1151 I HN 0.954 nan 8.210 nan 0.000 0.545 1152 G N 4.151 112.802 108.800 -0.249 0.000 2.641 1152 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.207 1152 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.207 1152 G C 0.174 174.885 174.900 -0.315 0.000 1.137 1152 G CA 0.062 45.057 45.100 -0.175 0.000 0.824 1152 G HN 0.571 nan 8.290 nan 0.000 0.547 1153 D N -1.543 118.588 120.400 -0.449 0.000 2.198 1153 D HA 0.544 5.184 4.640 -0.000 0.000 0.247 1153 D C -0.518 175.344 176.300 -0.730 0.000 1.010 1153 D CA -0.806 52.980 54.000 -0.357 0.000 0.880 1153 D CB 1.247 41.968 40.800 -0.133 0.000 1.209 1153 D HN 0.036 nan 8.370 nan 0.000 0.451 1154 F N 1.014 120.934 119.950 -0.050 0.000 2.837 1154 F HA 0.308 4.835 4.527 -0.001 0.000 0.328 1154 F C 1.849 177.544 175.800 -0.175 0.000 1.173 1154 F CA -0.784 57.102 58.000 -0.190 0.000 1.160 1154 F CB 0.857 39.800 39.000 -0.094 0.000 1.115 1154 F HN 0.544 nan 8.300 nan 0.000 0.512 1155 G N 0.353 109.161 108.800 0.012 0.000 2.537 1155 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 1155 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 1155 G C 1.174 176.054 174.900 -0.033 0.000 1.111 1155 G CA 0.988 46.107 45.100 0.032 0.000 0.748 1155 G HN 0.402 nan 8.290 nan 0.000 0.564 1156 M N -0.358 119.172 119.600 -0.117 0.000 2.268 1156 M HA 0.118 4.598 4.480 -0.000 0.000 0.355 1156 M C 0.070 176.275 176.300 -0.158 0.000 0.938 1156 M CA -0.059 55.155 55.300 -0.144 0.000 1.025 1156 M CB 1.256 33.754 32.600 -0.169 0.000 1.773 1156 M HN -0.119 nan 8.290 nan 0.000 0.613 1157 T N 3.299 117.761 114.554 -0.152 0.000 2.940 1157 T HA 0.325 4.674 4.350 -0.000 0.000 0.309 1157 T C 0.112 174.845 174.700 0.055 0.000 1.056 1157 T CA 0.222 62.291 62.100 -0.052 0.000 1.137 1157 T CB 0.443 69.340 68.868 0.049 0.000 0.976 1157 T HN 0.508 nan 8.240 nan 0.000 0.547 1158 R N 0.756 121.354 120.500 0.164 0.000 2.741 1158 R HA 0.459 4.798 4.340 -0.000 0.000 0.274 1158 R C -1.876 174.570 176.300 0.243 0.000 1.029 1158 R CA -1.062 55.158 56.100 0.199 0.000 0.880 1158 R CB 0.635 30.956 30.300 0.035 0.000 1.264 1158 R HN 0.426 nan 8.270 nan 0.000 0.465 1159 D N 0.948 121.388 120.400 0.066 0.000 2.424 1159 D HA 0.078 4.717 4.640 -0.000 0.000 0.244 1159 D C 1.573 177.765 176.300 -0.180 0.000 1.134 1159 D CA -0.309 53.561 54.000 -0.217 0.000 0.881 1159 D CB 0.883 41.565 40.800 -0.197 0.000 1.191 1159 D HN 0.578 nan 8.370 nan 0.000 0.445 1160 I N 1.107 121.481 120.570 -0.327 0.000 2.248 1160 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 1160 I C 0.272 176.162 176.117 -0.378 0.000 1.107 1160 I CA 1.020 62.081 61.300 -0.400 0.000 1.373 1160 I CB -0.619 36.982 38.000 -0.665 0.000 1.055 1160 I HN 0.240 nan 8.210 nan 0.000 0.418 1161 Y N 2.681 122.937 120.300 -0.073 0.000 2.714 1161 Y HA 0.593 5.143 4.550 -0.001 0.000 0.333 1161 Y C 0.186 176.059 175.900 -0.045 0.000 1.220 1161 Y CA -0.512 57.560 58.100 -0.048 0.000 1.513 1161 Y CB -0.462 37.965 38.460 -0.055 0.000 1.435 1161 Y HN 0.320 nan 8.280 nan 0.000 0.489 1162 E N 0.226 120.462 120.200 0.059 0.000 2.396 1162 E HA 0.354 4.704 4.350 -0.000 0.000 0.280 1162 E C -1.068 175.496 176.600 -0.060 0.000 1.065 1162 E CA -0.614 55.793 56.400 0.011 0.000 0.831 1162 E CB 1.517 31.212 29.700 -0.010 0.000 1.272 1162 E HN 0.382 nan 8.360 nan 0.000 0.443 1163 T N -1.135 113.345 114.554 -0.122 0.000 2.937 1163 T HA 0.468 4.818 4.350 -0.000 0.000 0.283 1163 T C -0.024 174.470 174.700 -0.344 0.000 1.012 1163 T CA -0.444 61.427 62.100 -0.383 0.000 0.997 1163 T CB 1.246 69.763 68.868 -0.585 0.000 1.136 1163 T HN 0.387 nan 8.240 nan 0.000 0.551 1164 D N -1.394 118.686 120.400 -0.534 0.000 2.500 1164 D HA 0.154 4.794 4.640 -0.000 0.000 0.218 1164 D C 1.149 177.354 176.300 -0.157 0.000 1.140 1164 D CA 0.080 53.930 54.000 -0.250 0.000 0.830 1164 D CB 0.167 40.868 40.800 -0.164 0.000 1.055 1164 D HN 0.642 nan 8.370 nan 0.000 0.512 1165 Y N 1.159 121.420 120.300 -0.065 0.000 1.993 1165 Y HA -0.246 4.304 4.550 -0.000 0.000 0.237 1165 Y C 0.865 176.610 175.900 -0.258 0.000 1.071 1165 Y CA 0.622 58.566 58.100 -0.259 0.000 1.046 1165 Y CB -1.098 37.031 38.460 -0.551 0.000 0.949 1165 Y HN -0.087 nan 8.280 nan 0.000 0.497 1166 Y N 1.736 122.158 120.300 0.204 0.000 2.529 1166 Y HA 0.169 4.719 4.550 -0.001 0.000 0.342 1166 Y C 1.045 176.978 175.900 0.055 0.000 1.249 1166 Y CA -0.052 58.113 58.100 0.107 0.000 1.810 1166 Y CB -0.247 38.271 38.460 0.097 0.000 1.653 1166 Y HN 0.194 nan 8.280 nan 0.000 0.451 1167 R N 1.510 122.080 120.500 0.117 0.000 4.770 1167 R HA 0.129 4.469 4.340 -0.000 0.000 0.106 1167 R C 1.020 177.352 176.300 0.054 0.000 0.672 1167 R CA 0.670 56.814 56.100 0.074 0.000 1.062 1167 R CB -0.138 30.180 30.300 0.030 0.000 1.509 1167 R HN 0.312 nan 8.270 nan 0.000 0.407 1168 K N -0.225 120.198 120.400 0.038 0.000 3.445 1168 K HA -0.145 4.175 4.320 -0.000 0.000 0.316 1168 K C 0.144 176.762 176.600 0.029 0.000 1.278 1168 K CA 1.040 57.346 56.287 0.032 0.000 0.976 1168 K CB -1.712 30.811 32.500 0.039 0.000 1.238 1168 K HN 0.458 nan 8.250 nan 0.000 0.430 1169 G N 0.179 108.997 108.800 0.030 0.000 2.647 1169 G HA2 0.376 4.336 3.960 -0.000 0.000 0.234 1169 G HA3 0.376 4.336 3.960 -0.000 0.000 0.234 1169 G C 0.764 175.680 174.900 0.027 0.000 1.252 1169 G CA 0.383 45.502 45.100 0.032 0.000 0.846 1169 G HN 0.972 nan 8.290 nan 0.000 0.589 1170 G N 0.116 108.940 108.800 0.040 0.000 2.697 1170 G HA2 0.022 3.981 3.960 -0.000 0.000 0.240 1170 G HA3 0.022 3.981 3.960 -0.000 0.000 0.240 1170 G C 0.358 175.265 174.900 0.011 0.000 1.346 1170 G CA 0.946 46.064 45.100 0.030 0.000 0.887 1170 G HN 1.908 nan 8.290 nan 0.000 0.569 1171 K N -1.834 118.561 120.400 -0.008 0.000 3.223 1171 K HA 0.441 4.761 4.320 -0.000 0.000 0.136 1171 K C 0.698 177.285 176.600 -0.023 0.000 0.971 1171 K CA 0.543 56.824 56.287 -0.010 0.000 1.041 1171 K CB -0.340 32.156 32.500 -0.007 0.000 0.652 1171 K HN 1.454 nan 8.250 nan 0.000 0.370 1172 G N 1.184 109.967 108.800 -0.029 0.000 3.137 1172 G HA2 0.610 4.570 3.960 -0.000 0.000 0.163 1172 G HA3 0.610 4.570 3.960 -0.000 0.000 0.163 1172 G C -0.667 174.226 174.900 -0.012 0.000 1.602 1172 G CA -0.727 44.353 45.100 -0.033 0.000 1.067 1172 G HN 0.065 nan 8.290 nan 0.000 0.568 1173 L N -0.227 120.992 121.223 -0.006 0.000 2.388 1173 L HA 0.441 4.781 4.340 -0.000 0.000 0.264 1173 L C -0.654 176.234 176.870 0.031 0.000 0.998 1173 L CA -0.717 54.133 54.840 0.016 0.000 0.817 1173 L CB 2.551 44.624 42.059 0.024 0.000 1.338 1173 L HN 0.228 nan 8.230 nan 0.000 0.414 1174 L N 4.036 125.292 121.223 0.054 0.000 2.410 1174 L HA 0.213 4.553 4.340 -0.000 0.000 0.273 1174 L C -1.649 175.293 176.870 0.122 0.000 1.152 1174 L CA -1.394 53.498 54.840 0.087 0.000 0.855 1174 L CB 0.606 42.726 42.059 0.101 0.000 1.129 1174 L HN 0.350 nan 8.230 nan 0.000 0.463 1175 P HA 0.010 nan 4.420 nan 0.000 0.235 1175 P C 1.086 178.593 177.300 0.345 0.000 1.765 1175 P CA -0.065 63.182 63.100 0.245 0.000 1.034 1175 P CB 0.268 32.069 31.700 0.169 0.000 1.984 1176 V N 2.923 122.980 119.914 0.238 0.000 2.282 1176 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 1176 V C 2.412 178.578 176.094 0.119 0.000 1.057 1176 V CA 1.933 64.312 62.300 0.131 0.000 1.032 1176 V CB -0.999 30.857 31.823 0.055 0.000 0.645 1176 V HN 0.385 nan 8.190 nan 0.000 0.447 1177 R N -1.348 119.274 120.500 0.204 0.000 2.357 1177 R HA -0.101 4.239 4.340 -0.000 0.000 0.202 1177 R C 1.589 177.847 176.300 -0.071 0.000 1.047 1177 R CA 0.945 57.043 56.100 -0.003 0.000 1.034 1177 R CB -0.145 30.075 30.300 -0.135 0.000 0.875 1177 R HN 0.611 nan 8.270 nan 0.000 0.473 1178 W N -0.662 120.752 121.300 0.191 0.000 2.725 1178 W HA 0.287 4.947 4.660 -0.000 0.000 0.336 1178 W C -0.033 176.670 176.519 0.307 0.000 1.012 1178 W CA -0.490 57.028 57.345 0.287 0.000 1.566 1178 W CB 0.396 30.001 29.460 0.242 0.000 1.068 1178 W HN 0.000 nan 8.180 nan 0.000 0.546 1179 M N 1.169 120.941 119.600 0.286 0.000 2.274 1179 M HA 0.116 4.596 4.480 -0.000 0.000 0.344 1179 M C 1.071 177.053 176.300 -0.531 0.000 1.161 1179 M CA 0.201 55.510 55.300 0.015 0.000 1.126 1179 M CB 1.252 33.844 32.600 -0.012 0.000 1.522 1179 M HN -0.270 nan 8.290 nan 0.000 0.461 1180 S N 1.783 117.024 115.700 -0.765 0.000 2.603 1180 S HA 0.294 4.764 4.470 -0.000 0.000 0.268 1180 S C -2.177 171.833 174.600 -0.984 0.000 1.317 1180 S CA -1.178 56.183 58.200 -1.397 0.000 1.012 1180 S CB 0.672 63.451 63.200 -0.703 0.000 0.926 1180 S HN 0.431 nan 8.310 nan 0.000 0.539 1181 P HA -0.243 nan 4.420 nan 0.000 0.215 1181 P C 1.789 178.778 177.300 -0.519 0.000 1.163 1181 P CA 1.827 64.486 63.100 -0.734 0.000 0.894 1181 P CB -0.086 31.032 31.700 -0.970 0.000 0.791 1182 E N -0.567 119.332 120.200 -0.501 0.000 2.058 1182 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 1182 E C 1.941 178.318 176.600 -0.372 0.000 0.997 1182 E CA 1.657 57.852 56.400 -0.342 0.000 0.801 1182 E CB -1.446 28.097 29.700 -0.262 0.000 0.746 1182 E HN 0.122 nan 8.360 nan 0.000 0.450 1183 S N 1.050 116.448 115.700 -0.503 0.000 2.383 1183 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 1183 S C 2.093 176.392 174.600 -0.501 0.000 1.030 1183 S CA 1.177 58.935 58.200 -0.737 0.000 1.002 1183 S CB -0.231 62.440 63.200 -0.882 0.000 0.829 1183 S HN 0.234 nan 8.310 nan 0.000 0.467 1184 L N 0.703 121.703 121.223 -0.372 0.000 2.049 1184 L HA -0.030 4.310 4.340 -0.000 0.000 0.203 1184 L C 2.516 179.281 176.870 -0.176 0.000 1.074 1184 L CA 1.164 55.861 54.840 -0.238 0.000 0.749 1184 L CB -0.464 41.447 42.059 -0.246 0.000 0.907 1184 L HN 0.210 nan 8.230 nan 0.000 0.439 1185 K N 0.329 120.616 120.400 -0.188 0.000 1.965 1185 K HA -0.178 4.141 4.320 -0.000 0.000 0.214 1185 K C 1.046 177.590 176.600 -0.094 0.000 1.046 1185 K CA 2.022 58.236 56.287 -0.122 0.000 0.944 1185 K CB 0.040 32.472 32.500 -0.113 0.000 0.726 1185 K HN 0.249 nan 8.250 nan 0.000 0.441 1186 D N -1.164 119.171 120.400 -0.108 0.000 2.340 1186 D HA 0.118 4.757 4.640 -0.000 0.000 0.217 1186 D C 0.493 176.764 176.300 -0.048 0.000 1.081 1186 D CA 0.649 54.614 54.000 -0.058 0.000 0.842 1186 D CB 0.687 41.464 40.800 -0.039 0.000 0.934 1186 D HN 0.552 nan 8.370 nan 0.000 0.511 1187 G N 1.034 109.758 108.800 -0.127 0.000 2.273 1187 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.280 1187 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.280 1187 G C 0.166 174.988 174.900 -0.130 0.000 1.047 1187 G CA 0.093 45.132 45.100 -0.103 0.000 0.869 1187 G HN 0.302 nan 8.290 nan 0.000 0.502 1188 V N 0.471 120.200 119.914 -0.308 0.000 2.383 1188 V HA 0.678 4.797 4.120 -0.000 0.000 0.275 1188 V C -0.039 175.860 176.094 -0.326 0.000 1.036 1188 V CA -0.491 61.714 62.300 -0.157 0.000 0.889 1188 V CB 0.856 32.628 31.823 -0.085 0.000 0.985 1188 V HN 0.252 nan 8.190 nan 0.000 0.459 1189 F N 3.213 123.164 119.950 0.002 0.000 2.467 1189 F HA 0.739 5.266 4.527 -0.000 0.000 0.336 1189 F C 0.524 176.326 175.800 0.003 0.000 1.123 1189 F CA -0.479 57.530 58.000 0.015 0.000 0.964 1189 F CB 2.168 41.181 39.000 0.023 0.000 1.136 1189 F HN 0.565 nan 8.300 nan 0.000 0.447 1190 T N -2.630 112.021 114.554 0.162 0.000 2.812 1190 T HA 0.222 4.571 4.350 -0.000 0.000 0.294 1190 T C 0.736 175.454 174.700 0.030 0.000 1.159 1190 T CA -0.180 61.942 62.100 0.037 0.000 1.008 1190 T CB 1.433 70.289 68.868 -0.020 0.000 1.289 1190 T HN 0.522 nan 8.240 nan 0.000 0.514 1191 T N -0.664 113.820 114.554 -0.117 0.000 2.737 1191 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 1191 T C 1.273 175.978 174.700 0.008 0.000 1.040 1191 T CA 1.936 64.014 62.100 -0.037 0.000 1.142 1191 T CB -0.900 67.878 68.868 -0.151 0.000 0.861 1191 T HN 0.589 nan 8.240 nan 0.000 0.456 1192 Y N 2.072 122.411 120.300 0.064 0.000 2.181 1192 Y HA -0.053 4.497 4.550 -0.000 0.000 0.288 1192 Y C 3.147 179.103 175.900 0.094 0.000 1.146 1192 Y CA 1.136 59.253 58.100 0.028 0.000 1.164 1192 Y CB -1.166 37.305 38.460 0.018 0.000 0.982 1192 Y HN 0.423 nan 8.280 nan 0.000 0.515 1193 S N -0.805 115.051 115.700 0.260 0.000 2.447 1193 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 1193 S C 1.528 176.343 174.600 0.357 0.000 1.006 1193 S CA 1.239 59.584 58.200 0.242 0.000 0.957 1193 S CB -0.307 62.951 63.200 0.097 0.000 0.773 1193 S HN 0.326 nan 8.310 nan 0.000 0.507 1194 D N 1.513 122.124 120.400 0.352 0.000 2.144 1194 D HA 0.020 4.660 4.640 -0.000 0.000 0.200 1194 D C 1.985 178.590 176.300 0.508 0.000 0.978 1194 D CA 0.689 54.967 54.000 0.463 0.000 0.833 1194 D CB -0.313 40.802 40.800 0.525 0.000 0.961 1194 D HN 0.315 nan 8.370 nan 0.000 0.470 1195 V N 0.963 121.009 119.914 0.220 0.000 2.515 1195 V HA -0.177 3.942 4.120 -0.000 0.000 0.250 1195 V C 2.107 178.380 176.094 0.298 0.000 1.058 1195 V CA 1.066 63.355 62.300 -0.017 0.000 1.064 1195 V CB -0.355 31.298 31.823 -0.283 0.000 0.675 1195 V HN 0.404 nan 8.190 nan 0.000 0.461 1196 W N 1.132 122.568 121.300 0.226 0.000 2.354 1196 W HA -0.198 4.462 4.660 -0.001 0.000 0.315 1196 W C 2.496 179.273 176.519 0.431 0.000 1.206 1196 W CA 2.042 59.585 57.345 0.329 0.000 1.290 1196 W CB -0.719 28.879 29.460 0.230 0.000 1.152 1196 W HN 0.321 nan 8.180 nan 0.000 0.489 1197 S N 1.212 117.364 115.700 0.753 0.000 2.359 1197 S HA -0.301 4.169 4.470 -0.000 0.000 0.223 1197 S C 1.620 176.548 174.600 0.546 0.000 1.039 1197 S CA 2.013 60.622 58.200 0.681 0.000 1.042 1197 S CB -1.414 62.144 63.200 0.597 0.000 0.915 1197 S HN 0.388 nan 8.310 nan 0.000 0.439 1198 F N 2.593 122.764 119.950 0.369 0.000 2.115 1198 F HA -0.171 4.355 4.527 -0.001 0.000 0.300 1198 F C 2.237 178.147 175.800 0.183 0.000 1.092 1198 F CA 1.514 59.690 58.000 0.293 0.000 1.245 1198 F CB -0.963 38.266 39.000 0.382 0.000 0.995 1198 F HN 0.227 nan 8.300 nan 0.000 0.481 1199 G N -0.235 108.655 108.800 0.150 0.000 2.462 1199 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.220 1199 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.220 1199 G C 1.573 176.514 174.900 0.067 0.000 1.121 1199 G CA 1.196 46.157 45.100 -0.232 0.000 0.758 1199 G HN 0.397 nan 8.290 nan 0.000 0.559 1200 V N 0.360 120.491 119.914 0.361 0.000 2.591 1200 V HA -0.079 4.040 4.120 -0.000 0.000 0.249 1200 V C 2.881 179.166 176.094 0.319 0.000 1.053 1200 V CA 0.967 63.480 62.300 0.355 0.000 1.068 1200 V CB 0.052 31.925 31.823 0.084 0.000 0.689 1200 V HN 0.237 nan 8.190 nan 0.000 0.462 1201 V N 0.074 120.121 119.914 0.220 0.000 2.358 1201 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 1201 V C 2.344 178.442 176.094 0.006 0.000 1.047 1201 V CA 1.715 64.108 62.300 0.155 0.000 1.035 1201 V CB -0.528 31.319 31.823 0.041 0.000 0.658 1201 V HN 0.436 nan 8.190 nan 0.000 0.452 1202 L N -1.526 119.571 121.223 -0.211 0.000 2.083 1202 L HA -0.218 4.121 4.340 -0.000 0.000 0.209 1202 L C 2.321 179.195 176.870 0.007 0.000 1.083 1202 L CA 2.087 56.806 54.840 -0.202 0.000 0.752 1202 L CB -0.531 41.318 42.059 -0.349 0.000 0.899 1202 L HN 0.508 nan 8.230 nan 0.000 0.433 1203 W N 1.397 122.677 121.300 -0.034 0.000 2.363 1203 W HA -0.195 4.465 4.660 -0.001 0.000 0.296 1203 W C 2.405 178.949 176.519 0.041 0.000 1.212 1203 W CA 1.608 58.992 57.345 0.065 0.000 1.260 1203 W CB 0.055 29.632 29.460 0.194 0.000 1.131 1203 W HN 0.106 nan 8.180 nan 0.000 0.530 1204 E N -0.123 120.255 120.200 0.296 0.000 2.106 1204 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 1204 E C 2.136 178.742 176.600 0.010 0.000 0.984 1204 E CA 1.547 58.058 56.400 0.185 0.000 0.806 1204 E CB -0.399 29.491 29.700 0.316 0.000 0.750 1204 E HN 0.361 nan 8.360 nan 0.000 0.458 1205 I N 1.042 121.618 120.570 0.010 0.000 2.252 1205 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 1205 I C 2.405 178.469 176.117 -0.089 0.000 1.102 1205 I CA 0.889 62.179 61.300 -0.016 0.000 1.385 1205 I CB -0.244 37.751 38.000 -0.010 0.000 1.064 1205 I HN 0.055 nan 8.210 nan 0.000 0.414 1206 A N 0.149 122.878 122.820 -0.151 0.000 2.168 1206 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 1206 A C 1.925 179.316 177.584 -0.321 0.000 1.152 1206 A CA 1.716 53.626 52.037 -0.210 0.000 0.716 1206 A CB -0.701 18.177 19.000 -0.202 0.000 0.794 1206 A HN 0.532 nan 8.150 nan 0.000 0.465 1207 T N -4.055 110.254 114.554 -0.409 0.000 3.091 1207 T HA 0.429 4.779 4.350 -0.000 0.000 0.277 1207 T C 0.337 174.885 174.700 -0.253 0.000 0.996 1207 T CA -0.014 61.813 62.100 -0.455 0.000 0.897 1207 T CB -0.584 67.754 68.868 -0.884 0.000 1.109 1207 T HN 0.516 nan 8.240 nan 0.000 0.534 1208 L N 1.093 122.218 121.223 -0.163 0.000 3.713 1208 L HA -0.180 4.159 4.340 -0.000 0.000 0.499 1208 L C 0.640 177.483 176.870 -0.045 0.000 1.281 1208 L CA 0.114 54.901 54.840 -0.088 0.000 0.796 1208 L CB -2.521 39.481 42.059 -0.095 0.000 1.535 1208 L HN 0.888 nan 8.230 nan 0.000 0.851 1209 A N 0.564 123.385 122.820 0.001 0.000 1.581 1209 A HA -0.142 4.178 4.320 -0.000 0.000 0.205 1209 A C 0.274 177.917 177.584 0.098 0.000 1.265 1209 A CA 1.683 53.780 52.037 0.100 0.000 0.666 1209 A CB -0.474 18.598 19.000 0.119 0.000 1.155 1209 A HN 0.671 nan 8.150 nan 0.000 0.200 1210 E N 0.573 120.868 120.200 0.158 0.000 2.293 1210 E HA 0.415 4.765 4.350 -0.000 0.000 0.270 1210 E C -0.010 176.822 176.600 0.386 0.000 0.879 1210 E CA -0.791 55.723 56.400 0.190 0.000 0.756 1210 E CB 1.251 30.988 29.700 0.062 0.000 1.208 1210 E HN 0.776 nan 8.360 nan 0.000 0.428 1211 Q N 3.851 123.807 119.800 0.260 0.000 2.239 1211 Q HA 0.087 4.427 4.340 -0.000 0.000 0.286 1211 Q C -2.236 173.795 176.000 0.052 0.000 1.102 1211 Q CA -1.107 54.810 55.803 0.190 0.000 0.936 1211 Q CB 0.428 29.248 28.738 0.137 0.000 1.127 1211 Q HN 0.117 nan 8.270 nan 0.000 0.380 1212 P HA -0.066 nan 4.420 nan 0.000 0.269 1212 P C -1.232 175.809 177.300 -0.431 0.000 1.209 1212 P CA 0.226 62.828 63.100 -0.831 0.000 0.776 1212 P CB 0.231 31.313 31.700 -1.030 0.000 0.876 1213 Y N -1.545 118.494 120.300 -0.435 0.000 4.079 1213 Y HA -0.273 4.277 4.550 -0.001 0.000 0.223 1213 Y C 0.944 176.735 175.900 -0.182 0.000 1.155 1213 Y CA 0.442 58.370 58.100 -0.287 0.000 1.805 1213 Y CB -2.772 35.536 38.460 -0.253 0.000 1.571 1213 Y HN 0.433 nan 8.280 nan 0.000 0.654 1214 Q N 0.631 120.396 119.800 -0.057 0.000 2.431 1214 Q HA 0.177 4.517 4.340 -0.000 0.000 0.349 1214 Q C 1.546 177.536 176.000 -0.016 0.000 1.119 1214 Q CA 1.851 57.655 55.803 0.001 0.000 1.065 1214 Q CB 0.138 28.897 28.738 0.035 0.000 1.149 1214 Q HN 0.797 nan 8.270 nan 0.000 0.403 1215 G N 2.824 111.620 108.800 -0.007 0.000 2.420 1215 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.221 1215 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.221 1215 G C -0.048 174.832 174.900 -0.034 0.000 1.117 1215 G CA 0.056 45.142 45.100 -0.024 0.000 0.657 1215 G HN 0.548 nan 8.290 nan 0.000 0.512 1216 L N 2.237 123.435 121.223 -0.043 0.000 2.375 1216 L HA 0.588 4.927 4.340 -0.000 0.000 0.271 1216 L C 1.211 178.068 176.870 -0.022 0.000 1.107 1216 L CA -0.085 54.722 54.840 -0.054 0.000 0.806 1216 L CB 1.566 43.566 42.059 -0.098 0.000 1.146 1216 L HN 0.521 nan 8.230 nan 0.000 0.447 1217 S N 0.350 116.035 115.700 -0.025 0.000 2.616 1217 S HA 0.207 4.676 4.470 -0.000 0.000 0.277 1217 S C 0.735 175.326 174.600 -0.016 0.000 1.234 1217 S CA -0.779 57.416 58.200 -0.008 0.000 1.028 1217 S CB 1.088 64.284 63.200 -0.007 0.000 0.988 1217 S HN 0.695 nan 8.310 nan 0.000 0.522 1218 N N 1.160 119.861 118.700 0.002 0.000 2.111 1218 N HA -0.293 4.447 4.740 -0.000 0.000 0.197 1218 N C 1.666 177.160 175.510 -0.027 0.000 1.011 1218 N CA 1.918 54.967 53.050 -0.002 0.000 0.880 1218 N CB -0.216 38.285 38.487 0.023 0.000 1.031 1218 N HN 0.884 nan 8.380 nan 0.000 0.444 1219 E N 0.988 121.176 120.200 -0.020 0.000 2.152 1219 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 1219 E C 1.855 178.436 176.600 -0.031 0.000 0.983 1219 E CA 0.701 57.087 56.400 -0.024 0.000 0.818 1219 E CB 0.199 29.890 29.700 -0.014 0.000 0.758 1219 E HN 0.433 nan 8.360 nan 0.000 0.467 1220 Q N -0.077 119.703 119.800 -0.033 0.000 2.123 1220 Q HA -0.103 4.236 4.340 -0.000 0.000 0.199 1220 Q C 2.354 178.336 176.000 -0.031 0.000 0.966 1220 Q CA 1.276 57.061 55.803 -0.029 0.000 0.845 1220 Q CB 0.145 28.854 28.738 -0.047 0.000 0.907 1220 Q HN 0.206 nan 8.270 nan 0.000 0.439 1221 V N 2.003 121.861 119.914 -0.093 0.000 2.287 1221 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 1221 V C 2.270 178.264 176.094 -0.166 0.000 1.053 1221 V CA 1.418 63.596 62.300 -0.205 0.000 1.027 1221 V CB -0.692 30.938 31.823 -0.322 0.000 0.646 1221 V HN 0.450 nan 8.190 nan 0.000 0.447 1222 L N 0.214 121.364 121.223 -0.121 0.000 1.997 1222 L HA -0.274 4.066 4.340 -0.000 0.000 0.216 1222 L C 2.604 179.422 176.870 -0.086 0.000 1.074 1222 L CA 2.401 57.176 54.840 -0.109 0.000 0.763 1222 L CB -0.769 41.249 42.059 -0.068 0.000 0.890 1222 L HN 0.269 nan 8.230 nan 0.000 0.434 1223 R N -1.515 118.964 120.500 -0.035 0.000 2.073 1223 R HA -0.155 4.185 4.340 -0.000 0.000 0.229 1223 R C 2.096 178.410 176.300 0.023 0.000 1.120 1223 R CA 1.514 57.609 56.100 -0.008 0.000 0.967 1223 R CB -0.576 29.732 30.300 0.014 0.000 0.862 1223 R HN 0.376 nan 8.270 nan 0.000 0.436 1224 F N 0.451 120.336 119.950 -0.109 0.000 2.025 1224 F HA -0.252 4.275 4.527 -0.001 0.000 0.297 1224 F C 2.091 177.841 175.800 -0.083 0.000 1.132 1224 F CA 1.902 59.849 58.000 -0.090 0.000 1.191 1224 F CB -0.930 38.004 39.000 -0.109 0.000 0.963 1224 F HN -0.113 nan 8.300 nan 0.000 0.481 1225 V N 0.867 120.634 119.914 -0.245 0.000 2.594 1225 V HA -0.293 3.827 4.120 -0.000 0.000 0.253 1225 V C 2.184 178.152 176.094 -0.210 0.000 1.069 1225 V CA 2.270 64.383 62.300 -0.312 0.000 1.082 1225 V CB -0.421 31.218 31.823 -0.306 0.000 0.680 1225 V HN 0.564 nan 8.190 nan 0.000 0.469 1226 M N -0.702 118.803 119.600 -0.157 0.000 2.254 1226 M HA 0.012 4.492 4.480 -0.000 0.000 0.265 1226 M C 1.133 177.468 176.300 0.058 0.000 1.066 1226 M CA 1.227 56.494 55.300 -0.055 0.000 1.123 1226 M CB -0.016 32.542 32.600 -0.070 0.000 1.388 1226 M HN 0.254 nan 8.290 nan 0.000 0.425 1227 E N 0.103 120.271 120.200 -0.053 0.000 2.405 1227 E HA 0.212 4.562 4.350 -0.000 0.000 0.214 1227 E C 0.742 177.249 176.600 -0.155 0.000 1.101 1227 E CA 0.074 56.422 56.400 -0.087 0.000 1.254 1227 E CB -0.142 29.519 29.700 -0.066 0.000 1.240 1227 E HN 0.567 nan 8.360 nan 0.000 0.439 1228 G N 0.537 109.274 108.800 -0.104 0.000 2.143 1228 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.249 1228 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.249 1228 G C 0.708 175.444 174.900 -0.274 0.000 0.981 1228 G CA -0.054 44.977 45.100 -0.115 0.000 0.665 1228 G HN 0.520 nan 8.290 nan 0.000 0.528 1229 G N -0.730 107.666 108.800 -0.674 0.000 2.554 1229 G HA2 0.570 4.530 3.960 -0.000 0.000 0.238 1229 G HA3 0.570 4.530 3.960 -0.000 0.000 0.238 1229 G C -0.187 174.392 174.900 -0.535 0.000 1.259 1229 G CA 0.011 44.168 45.100 -1.573 0.000 0.843 1229 G HN 0.957 nan 8.290 nan 0.000 0.582 1230 L N 0.179 121.309 121.223 -0.155 0.000 2.505 1230 L HA 0.299 4.639 4.340 -0.000 0.000 0.259 1230 L C -0.339 176.560 176.870 0.048 0.000 0.952 1230 L CA -0.867 53.974 54.840 0.001 0.000 0.840 1230 L CB 2.206 44.311 42.059 0.077 0.000 1.358 1230 L HN 0.341 nan 8.230 nan 0.000 0.409 1231 L N 2.434 123.412 121.223 -0.407 0.000 2.416 1231 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 1231 L C -0.030 176.917 176.870 0.129 0.000 1.161 1231 L CA -0.273 54.289 54.840 -0.464 0.000 0.845 1231 L CB 0.265 41.611 42.059 -1.189 0.000 1.119 1231 L HN 0.482 nan 8.230 nan 0.000 0.464 1232 D N 2.751 123.267 120.400 0.194 0.000 2.344 1232 D HA 0.046 4.685 4.640 -0.000 0.000 0.244 1232 D C 0.141 176.659 176.300 0.363 0.000 1.134 1232 D CA -0.296 53.871 54.000 0.277 0.000 0.930 1232 D CB 0.945 41.830 40.800 0.142 0.000 1.175 1232 D HN 0.351 nan 8.370 nan 0.000 0.437 1233 K N 1.433 121.807 120.400 -0.044 0.000 2.448 1233 K HA 0.104 4.424 4.320 -0.000 0.000 0.278 1233 K C -2.364 174.139 176.600 -0.161 0.000 1.009 1233 K CA -0.889 55.061 56.287 -0.563 0.000 0.995 1233 K CB 0.273 31.852 32.500 -1.536 0.000 0.917 1233 K HN 0.054 nan 8.250 nan 0.000 0.481 1234 P HA 0.118 nan 4.420 nan 0.000 0.276 1234 P C -1.445 175.758 177.300 -0.162 0.000 1.244 1234 P CA -0.438 62.566 63.100 -0.160 0.000 0.801 1234 P CB 0.502 32.011 31.700 -0.318 0.000 1.006 1235 D N 0.586 120.904 120.400 -0.138 0.000 2.424 1235 D HA 0.076 4.716 4.640 -0.000 0.000 0.244 1235 D C 0.344 176.576 176.300 -0.113 0.000 1.134 1235 D CA 0.192 54.125 54.000 -0.112 0.000 0.881 1235 D CB -0.628 40.118 40.800 -0.090 0.000 1.191 1235 D HN 0.389 nan 8.370 nan 0.000 0.445 1236 N N -0.498 118.144 118.700 -0.097 0.000 2.778 1236 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 1236 N C -0.432 175.025 175.510 -0.089 0.000 1.069 1236 N CA 0.065 53.065 53.050 -0.084 0.000 0.831 1236 N CB -1.146 37.295 38.487 -0.076 0.000 1.142 1236 N HN 0.490 nan 8.380 nan 0.000 0.573 1237 C N 1.894 121.130 119.300 -0.108 0.000 2.632 1237 C HA 0.285 4.744 4.460 -0.000 0.000 0.415 1237 C C -1.758 173.195 174.990 -0.061 0.000 1.332 1237 C CA -1.383 57.578 59.018 -0.095 0.000 1.874 1237 C CB -0.184 27.488 27.740 -0.114 0.000 2.596 1237 C HN 0.145 nan 8.230 nan 0.000 0.590 1238 P HA 0.104 nan 4.420 nan 0.000 0.264 1238 P C 0.305 177.614 177.300 0.016 0.000 1.193 1238 P CA 0.458 63.548 63.100 -0.018 0.000 0.763 1238 P CB 0.563 32.251 31.700 -0.019 0.000 0.810 1239 D N 2.370 122.780 120.400 0.016 0.000 2.103 1239 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 1239 D C 1.664 178.002 176.300 0.064 0.000 0.997 1239 D CA 1.317 55.348 54.000 0.052 0.000 0.833 1239 D CB -0.436 40.382 40.800 0.030 0.000 0.961 1239 D HN 0.338 nan 8.370 nan 0.000 0.447 1240 M N 0.097 119.712 119.600 0.025 0.000 2.337 1240 M HA -0.169 4.310 4.480 -0.000 0.000 0.261 1240 M C 1.694 177.995 176.300 0.001 0.000 1.067 1240 M CA 0.999 56.303 55.300 0.008 0.000 1.074 1240 M CB -0.209 32.388 32.600 -0.005 0.000 1.395 1240 M HN 0.081 nan 8.290 nan 0.000 0.431 1241 L N -0.479 120.754 121.223 0.016 0.000 2.084 1241 L HA -0.039 4.300 4.340 -0.000 0.000 0.202 1241 L C 2.080 178.943 176.870 -0.012 0.000 1.074 1241 L CA 1.414 56.252 54.840 -0.004 0.000 0.757 1241 L CB -1.091 40.967 42.059 -0.001 0.000 0.918 1241 L HN 0.260 nan 8.230 nan 0.000 0.444 1242 F N 0.783 120.674 119.950 -0.099 0.000 2.216 1242 F HA -0.215 4.312 4.527 -0.001 0.000 0.300 1242 F C 2.427 178.146 175.800 -0.135 0.000 1.085 1242 F CA 1.745 59.678 58.000 -0.112 0.000 1.326 1242 F CB -0.149 38.822 39.000 -0.048 0.000 1.027 1242 F HN 0.323 nan 8.300 nan 0.000 0.497 1243 E N 0.680 120.837 120.200 -0.072 0.000 2.085 1243 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 1243 E C 2.190 178.647 176.600 -0.238 0.000 0.994 1243 E CA 1.759 58.075 56.400 -0.139 0.000 0.801 1243 E CB -0.809 28.868 29.700 -0.038 0.000 0.743 1243 E HN 0.567 nan 8.360 nan 0.000 0.453 1244 L N -0.541 120.560 121.223 -0.203 0.000 2.093 1244 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 1244 L C 2.457 179.101 176.870 -0.376 0.000 1.085 1244 L CA 1.239 55.961 54.840 -0.197 0.000 0.755 1244 L CB -0.167 41.839 42.059 -0.089 0.000 0.904 1244 L HN 0.308 nan 8.230 nan 0.000 0.435 1245 M N -1.015 118.228 119.600 -0.595 0.000 2.091 1245 M HA -0.283 4.197 4.480 -0.000 0.000 0.259 1245 M C 2.359 177.933 176.300 -1.209 0.000 1.076 1245 M CA 1.856 56.481 55.300 -1.124 0.000 1.111 1245 M CB -0.505 31.282 32.600 -1.355 0.000 1.291 1245 M HN 0.058 nan 8.290 nan 0.000 0.417 1246 R N 0.325 120.216 120.500 -1.016 0.000 2.204 1246 R HA -0.180 4.160 4.340 -0.000 0.000 0.253 1246 R C 1.836 177.927 176.300 -0.349 0.000 1.172 1246 R CA 1.869 57.619 56.100 -0.584 0.000 0.994 1246 R CB -0.318 29.679 30.300 -0.506 0.000 0.874 1246 R HN 0.412 nan 8.270 nan 0.000 0.462 1247 M N -1.650 117.737 119.600 -0.355 0.000 2.156 1247 M HA -0.168 4.312 4.480 -0.000 0.000 0.264 1247 M C 2.150 178.338 176.300 -0.187 0.000 1.067 1247 M CA 1.421 56.595 55.300 -0.209 0.000 1.131 1247 M CB -0.002 32.494 32.600 -0.174 0.000 1.368 1247 M HN 0.273 nan 8.290 nan 0.000 0.416 1248 C N -1.059 118.053 119.300 -0.313 0.000 2.468 1248 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 1248 C C 1.642 176.566 174.990 -0.110 0.000 1.400 1248 C CA -0.095 58.793 59.018 -0.216 0.000 1.770 1248 C CB -1.044 26.540 27.740 -0.259 0.000 1.905 1248 C HN 0.647 nan 8.230 nan 0.000 0.519 1249 W N 1.048 122.127 121.300 -0.368 0.000 3.400 1249 W HA 0.268 4.927 4.660 -0.001 0.000 0.347 1249 W C 0.656 177.161 176.519 -0.024 0.000 1.218 1249 W CA -0.537 56.455 57.345 -0.588 0.000 1.837 1249 W CB -1.163 27.804 29.460 -0.821 0.000 1.067 1249 W HN 0.389 nan 8.180 nan 0.000 0.701 1250 Q N 0.114 120.041 119.800 0.210 0.000 2.361 1250 Q HA -0.126 4.214 4.340 -0.000 0.000 0.276 1250 Q C 0.985 177.179 176.000 0.323 0.000 1.022 1250 Q CA 0.317 56.245 55.803 0.208 0.000 0.898 1250 Q CB 0.733 29.530 28.738 0.099 0.000 1.246 1250 Q HN 0.315 nan 8.270 nan 0.000 0.410 1251 Y N 2.978 123.381 120.300 0.172 0.000 2.200 1251 Y HA -0.175 4.375 4.550 -0.000 0.000 0.290 1251 Y C 1.078 177.011 175.900 0.055 0.000 1.137 1251 Y CA 1.384 59.560 58.100 0.126 0.000 1.163 1251 Y CB 0.346 38.837 38.460 0.052 0.000 0.988 1251 Y HN 0.678 nan 8.280 nan 0.000 0.518 1252 N N 0.760 119.579 118.700 0.199 0.000 2.401 1252 N HA 0.054 4.794 4.740 -0.000 0.000 0.255 1252 N C -2.168 173.325 175.510 -0.029 0.000 1.110 1252 N CA -1.407 51.687 53.050 0.073 0.000 0.949 1252 N CB 1.199 39.725 38.487 0.064 0.000 1.110 1252 N HN -0.016 nan 8.380 nan 0.000 0.490 1253 P HA -0.250 nan 4.420 nan 0.000 0.218 1253 P C 0.712 177.738 177.300 -0.457 0.000 1.152 1253 P CA 1.362 64.363 63.100 -0.164 0.000 0.857 1253 P CB 0.224 31.876 31.700 -0.080 0.000 0.787 1254 K N -1.789 118.381 120.400 -0.383 0.000 2.362 1254 K HA 0.006 4.326 4.320 -0.000 0.000 0.200 1254 K C 1.728 178.169 176.600 -0.264 0.000 1.046 1254 K CA 0.963 56.997 56.287 -0.421 0.000 0.952 1254 K CB -0.554 31.816 32.500 -0.218 0.000 0.753 1254 K HN 0.258 nan 8.250 nan 0.000 0.466 1255 M N 0.107 119.609 119.600 -0.164 0.000 2.556 1255 M HA 0.038 4.518 4.480 -0.000 0.000 0.245 1255 M C 0.162 176.414 176.300 -0.079 0.000 1.128 1255 M CA 0.397 55.645 55.300 -0.087 0.000 1.069 1255 M CB 0.262 32.846 32.600 -0.027 0.000 1.469 1255 M HN -0.209 nan 8.290 nan 0.000 0.494 1256 R N 1.119 121.551 120.500 -0.113 0.000 2.459 1256 R HA 0.350 4.689 4.340 -0.000 0.000 0.281 1256 R C -2.320 173.934 176.300 -0.076 0.000 1.050 1256 R CA -1.526 54.533 56.100 -0.069 0.000 1.055 1256 R CB 0.282 30.574 30.300 -0.013 0.000 1.045 1256 R HN 0.045 nan 8.270 nan 0.000 0.495 1257 P HA 0.078 nan 4.420 nan 0.000 0.278 1257 P C -0.787 176.448 177.300 -0.109 0.000 1.238 1257 P CA -0.419 62.635 63.100 -0.076 0.000 0.794 1257 P CB 1.475 33.120 31.700 -0.091 0.000 0.955 1258 S N 1.508 117.177 115.700 -0.052 0.000 2.641 1258 S HA 0.182 4.652 4.470 -0.000 0.000 0.261 1258 S C 1.083 175.563 174.600 -0.200 0.000 1.257 1258 S CA -0.215 57.944 58.200 -0.070 0.000 0.983 1258 S CB -0.203 63.032 63.200 0.058 0.000 0.990 1258 S HN 0.251 nan 8.310 nan 0.000 0.572 1259 F N 0.130 120.074 119.950 -0.009 0.000 2.128 1259 F HA 0.141 4.668 4.527 -0.000 0.000 0.295 1259 F C 2.217 178.021 175.800 0.007 0.000 1.100 1259 F CA 0.836 58.788 58.000 -0.080 0.000 1.260 1259 F CB -0.824 38.128 39.000 -0.079 0.000 1.009 1259 F HN 0.400 nan 8.300 nan 0.000 0.476 1260 L N -0.265 121.108 121.223 0.250 0.000 2.081 1260 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 1260 L C 2.306 179.308 176.870 0.220 0.000 1.080 1260 L CA 1.573 56.561 54.840 0.248 0.000 0.754 1260 L CB -0.674 41.460 42.059 0.125 0.000 0.893 1260 L HN 0.191 nan 8.230 nan 0.000 0.433 1261 E N 0.186 120.451 120.200 0.108 0.000 2.077 1261 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 1261 E C 2.230 178.858 176.600 0.046 0.000 0.989 1261 E CA 1.164 57.605 56.400 0.068 0.000 0.800 1261 E CB -0.040 29.670 29.700 0.017 0.000 0.746 1261 E HN 0.416 nan 8.360 nan 0.000 0.452 1262 I N 0.905 121.474 120.570 -0.003 0.000 2.069 1262 I HA -0.356 3.814 4.170 -0.000 0.000 0.237 1262 I C 2.357 178.464 176.117 -0.017 0.000 1.053 1262 I CA 1.322 62.597 61.300 -0.041 0.000 1.311 1262 I CB -0.496 37.419 38.000 -0.141 0.000 1.030 1262 I HN 0.152 nan 8.210 nan 0.000 0.398 1263 I N 0.360 120.937 120.570 0.012 0.000 2.091 1263 I HA -0.418 3.751 4.170 -0.000 0.000 0.240 1263 I C 2.773 178.777 176.117 -0.189 0.000 1.046 1263 I CA 2.008 63.242 61.300 -0.109 0.000 1.306 1263 I CB -0.640 37.306 38.000 -0.091 0.000 1.018 1263 I HN 0.293 nan 8.210 nan 0.000 0.404 1264 S N 0.277 115.973 115.700 -0.006 0.000 2.440 1264 S HA -0.212 4.257 4.470 -0.000 0.000 0.240 1264 S C 2.051 176.649 174.600 -0.002 0.000 1.014 1264 S CA 1.871 60.101 58.200 0.050 0.000 0.980 1264 S CB -0.421 62.920 63.200 0.235 0.000 0.775 1264 S HN 0.640 nan 8.310 nan 0.000 0.499 1265 S N 0.585 116.273 115.700 -0.021 0.000 2.501 1265 S HA 0.152 4.622 4.470 -0.000 0.000 0.220 1265 S C 1.446 176.017 174.600 -0.048 0.000 0.997 1265 S CA 0.335 58.521 58.200 -0.024 0.000 0.919 1265 S CB -0.469 62.718 63.200 -0.020 0.000 0.778 1265 S HN 0.803 nan 8.310 nan 0.000 0.523 1266 I N -1.660 118.857 120.570 -0.088 0.000 4.338 1266 I HA 0.366 4.536 4.170 -0.000 0.000 0.329 1266 I C 1.643 177.659 176.117 -0.168 0.000 1.378 1266 I CA -0.387 60.847 61.300 -0.109 0.000 1.170 1266 I CB -0.048 37.888 38.000 -0.106 0.000 1.206 1266 I HN 0.093 nan 8.210 nan 0.000 0.432 1267 K N 1.527 121.803 120.400 -0.207 0.000 2.242 1267 K HA -0.235 4.084 4.320 -0.000 0.000 0.206 1267 K C 1.472 178.006 176.600 -0.110 0.000 1.045 1267 K CA 2.117 58.263 56.287 -0.235 0.000 0.930 1267 K CB -0.347 32.021 32.500 -0.221 0.000 0.726 1267 K HN 0.315 nan 8.250 nan 0.000 0.462 1268 E N 1.101 121.261 120.200 -0.066 0.000 2.072 1268 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 1268 E C 1.726 178.298 176.600 -0.047 0.000 0.985 1268 E CA 1.249 57.632 56.400 -0.030 0.000 0.801 1268 E CB 0.104 29.794 29.700 -0.016 0.000 0.750 1268 E HN 0.388 nan 8.360 nan 0.000 0.452 1269 E N -0.099 120.057 120.200 -0.073 0.000 2.418 1269 E HA -0.066 4.284 4.350 -0.000 0.000 0.197 1269 E C 0.485 177.028 176.600 -0.095 0.000 1.026 1269 E CA 0.258 56.615 56.400 -0.071 0.000 0.862 1269 E CB -0.192 29.467 29.700 -0.069 0.000 0.799 1269 E HN 0.269 nan 8.360 nan 0.000 0.518 1270 M N 1.297 120.801 119.600 -0.159 0.000 2.219 1270 M HA 0.061 4.540 4.480 -0.000 0.000 0.307 1270 M C 0.597 176.862 176.300 -0.059 0.000 1.116 1270 M CA 0.273 55.448 55.300 -0.208 0.000 1.181 1270 M CB -0.105 32.197 32.600 -0.496 0.000 1.410 1270 M HN -0.104 nan 8.290 nan 0.000 0.454 1271 E N 1.421 121.624 120.200 0.005 0.000 2.331 1271 E HA 0.128 4.478 4.350 -0.000 0.000 0.272 1271 E C -1.627 175.037 176.600 0.108 0.000 1.036 1271 E CA -1.607 54.828 56.400 0.057 0.000 0.864 1271 E CB 0.416 30.161 29.700 0.075 0.000 1.035 1271 E HN 0.374 nan 8.360 nan 0.000 0.408 1272 P HA -0.271 nan 4.420 nan 0.000 0.222 1272 P C 1.289 178.639 177.300 0.084 0.000 1.157 1272 P CA 1.745 64.882 63.100 0.062 0.000 0.905 1272 P CB 0.040 31.759 31.700 0.032 0.000 0.792 1273 G N -1.905 106.955 108.800 0.100 0.000 2.479 1273 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.220 1273 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.220 1273 G C 1.321 176.302 174.900 0.135 0.000 1.115 1273 G CA 0.210 45.364 45.100 0.091 0.000 0.757 1273 G HN 0.195 nan 8.290 nan 0.000 0.560 1274 F N 1.645 121.639 119.950 0.073 0.000 2.087 1274 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 1274 F C 2.654 178.547 175.800 0.155 0.000 1.100 1274 F CA 2.132 60.219 58.000 0.145 0.000 1.226 1274 F CB -0.138 38.947 39.000 0.142 0.000 0.983 1274 F HN 0.178 nan 8.300 nan 0.000 0.479 1275 R N -0.072 120.455 120.500 0.046 0.000 2.159 1275 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 1275 R C 1.870 178.050 176.300 -0.200 0.000 1.131 1275 R CA 1.805 57.706 56.100 -0.331 0.000 0.982 1275 R CB -0.277 29.657 30.300 -0.609 0.000 0.868 1275 R HN 0.237 nan 8.270 nan 0.000 0.453 1276 E N -0.542 119.584 120.200 -0.123 0.000 2.230 1276 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 1276 E C 1.586 178.112 176.600 -0.123 0.000 0.987 1276 E CA 1.129 57.465 56.400 -0.107 0.000 0.841 1276 E CB 0.615 30.261 29.700 -0.090 0.000 0.783 1276 E HN 0.373 nan 8.360 nan 0.000 0.481 1277 V N -2.114 117.706 119.914 -0.156 0.000 3.570 1277 V HA 0.221 4.341 4.120 -0.000 0.000 0.257 1277 V C 1.072 177.117 176.094 -0.082 0.000 1.272 1277 V CA 0.102 62.268 62.300 -0.223 0.000 1.079 1277 V CB -0.237 31.258 31.823 -0.546 0.000 0.829 1277 V HN 0.130 nan 8.190 nan 0.000 0.454 1278 S N 0.480 116.090 115.700 -0.150 0.000 2.580 1278 S HA 0.192 4.662 4.470 -0.000 0.000 0.266 1278 S C 0.652 175.286 174.600 0.056 0.000 1.354 1278 S CA 0.426 58.527 58.200 -0.166 0.000 1.008 1278 S CB 0.476 63.108 63.200 -0.946 0.000 0.898 1278 S HN 0.461 nan 8.310 nan 0.000 0.555 1279 F N 1.178 121.129 119.950 0.001 0.000 2.473 1279 F HA 0.128 4.655 4.527 -0.001 0.000 0.294 1279 F C 1.855 177.688 175.800 0.056 0.000 1.103 1279 F CA 0.338 58.358 58.000 0.032 0.000 1.442 1279 F CB -0.581 38.459 39.000 0.068 0.000 1.097 1279 F HN 0.780 nan 8.300 nan 0.000 0.547 1280 Y N -0.076 120.157 120.300 -0.112 0.000 2.241 1280 Y HA -0.300 4.250 4.550 -0.001 0.000 0.286 1280 Y C 1.279 176.887 175.900 -0.486 0.000 1.166 1280 Y CA 2.215 60.139 58.100 -0.294 0.000 1.203 1280 Y CB -0.553 37.780 38.460 -0.212 0.000 0.977 1280 Y HN 0.228 nan 8.280 nan 0.000 0.529 1281 Y N -1.692 118.623 120.300 0.026 0.000 2.481 1281 Y HA 0.168 4.718 4.550 -0.001 0.000 0.258 1281 Y C 1.689 177.516 175.900 -0.121 0.000 1.103 1281 Y CA 0.284 58.371 58.100 -0.021 0.000 1.287 1281 Y CB -0.157 38.316 38.460 0.022 0.000 1.108 1281 Y HN -0.140 nan 8.280 nan 0.000 0.529 1282 S N 0.786 116.453 115.700 -0.056 0.000 2.560 1282 S HA -0.110 4.360 4.470 -0.000 0.000 0.276 1282 S C 1.269 175.802 174.600 -0.112 0.000 1.350 1282 S CA -0.207 57.947 58.200 -0.077 0.000 1.024 1282 S CB 0.511 63.665 63.200 -0.077 0.000 0.864 1282 S HN 0.286 nan 8.310 nan 0.000 0.536 1283 E N 1.220 121.390 120.200 -0.050 0.000 2.463 1283 E HA 0.028 4.377 4.350 -0.000 0.000 0.191 1283 E C 1.062 177.640 176.600 -0.037 0.000 1.083 1283 E CA 0.233 56.609 56.400 -0.039 0.000 0.872 1283 E CB -0.007 29.689 29.700 -0.007 0.000 0.966 1283 E HN 0.768 nan 8.360 nan 0.000 0.491 1284 E N 0.202 120.365 120.200 -0.062 0.000 2.481 1284 E HA -0.018 4.331 4.350 -0.000 0.000 0.198 1284 E C 0.425 176.978 176.600 -0.078 0.000 1.027 1284 E CA -0.129 56.287 56.400 0.027 0.000 0.900 1284 E CB 0.377 30.204 29.700 0.213 0.000 0.993 1284 E HN -0.001 nan 8.360 nan 0.000 0.482 1285 N N 0.000 118.499 118.700 -0.335 0.000 1.763 1285 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1285 N CA 0.000 52.801 53.050 -0.415 0.000 0.885 1285 N CB 0.000 37.991 38.487 -0.827 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667