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 2c7d_1_L DATA FIRST_RESID 3 DATA SEQUENCE AKDVKFGNDA RVKMLRGVNV LADAVKVTLG PKGRNVVLDK SFGAPTITKD DATA SEQUENCE GVSVAREIEL EDKFENMGAQ MVKEVASKAN DAAGDGTTTA TVLAQAIITE DATA SEQUENCE GLKAVAAGMN PMDLKRGIDK AVTAAVEELK ALSVPCSDSK AIAQVGTISA DATA SEQUENCE NSDETVGKLI AEAMDKVGKE GVITVEDGTG LQDELDVVEG MQFDRGYLSP DATA SEQUENCE YFINKPETGA VELESPFILL ADKKISNIRE MLPVLEAVAK AGKPLLIIAE DATA SEQUENCE DVEGEALATL VVNTMRGIVK VAAVKAPGFG DRRKAMLQDI ATLTGGTVIS DATA SEQUENCE EEIGMELEKA TLEDLGQAKR VVINKDTTTI IDGVGEEAAI QGRVAQIRQQ DATA SEQUENCE IEEATSDYDR EKLQERVAKL AGGVAVIKVG AATEVEMKEK KARVEDALHA DATA SEQUENCE TRAAVEEGVV AGGGVALIRV ASKLADLRGQ NEDQNVGIKV ALRAMEAPLR DATA SEQUENCE QIVLNCGEEP SVVANTVKGG DGNYGYNAAT EEYGNMIDMG ILDPTKVTRS DATA SEQUENCE ALQYAASVAG LMITTECMVT DLP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.592 177.584 0.014 0.000 1.274 3 A CA 0.000 52.044 52.037 0.011 0.000 0.836 3 A CB 0.000 19.006 19.000 0.010 0.000 0.831 4 K N 1.089 121.499 120.400 0.018 0.000 2.298 4 K HA 0.283 4.603 4.320 0.001 0.000 0.280 4 K C -0.429 176.209 176.600 0.063 0.000 1.032 4 K CA -0.230 56.070 56.287 0.023 0.000 0.958 4 K CB 1.113 33.623 32.500 0.016 0.000 0.978 4 K HN 0.641 nan 8.250 nan 0.000 0.472 5 D N 1.317 121.778 120.400 0.101 0.000 2.329 5 D HA 0.324 4.965 4.640 0.001 0.000 0.246 5 D C -0.943 175.528 176.300 0.284 0.000 1.111 5 D CA -0.447 53.681 54.000 0.213 0.000 0.941 5 D CB 1.044 42.049 40.800 0.342 0.000 1.169 5 D HN 0.226 nan 8.370 nan 0.000 0.441 6 V N -0.906 119.183 119.914 0.292 0.000 2.817 6 V HA 0.663 4.783 4.120 0.001 0.000 0.303 6 V C -1.130 175.048 176.094 0.139 0.000 1.151 6 V CA -0.864 61.563 62.300 0.212 0.000 0.929 6 V CB 1.709 33.608 31.823 0.126 0.000 1.030 6 V HN 0.503 nan 8.190 nan 0.000 0.427 7 K N 4.023 124.454 120.400 0.052 0.000 2.525 7 K HA 0.723 5.043 4.320 0.001 0.000 0.254 7 K C -1.850 174.699 176.600 -0.085 0.000 0.934 7 K CA -0.391 55.872 56.287 -0.039 0.000 0.802 7 K CB 2.817 35.089 32.500 -0.380 0.000 1.295 7 K HN 0.601 nan 8.250 nan 0.000 0.433 8 F N 0.356 120.297 119.950 -0.015 0.000 2.541 8 F HA 0.510 5.037 4.527 0.000 0.000 0.331 8 F C 1.423 177.218 175.800 -0.009 0.000 1.057 8 F CA 0.583 58.586 58.000 0.004 0.000 0.975 8 F CB 1.649 40.651 39.000 0.004 0.000 1.246 8 F HN 0.837 nan 8.300 nan 0.000 0.484 9 G N 1.923 110.843 108.800 0.201 0.000 2.622 9 G HA2 -0.517 3.444 3.960 0.001 0.000 0.307 9 G HA3 -0.517 3.444 3.960 0.001 0.000 0.307 9 G C 1.059 175.998 174.900 0.065 0.000 1.226 9 G CA 1.069 46.242 45.100 0.122 0.000 0.997 9 G HN 0.901 nan 8.290 nan 0.000 0.551 10 N N 0.885 119.614 118.700 0.047 0.000 2.053 10 N HA -0.159 4.581 4.740 0.001 0.000 0.200 10 N C 1.786 177.302 175.510 0.010 0.000 1.041 10 N CA 3.126 56.190 53.050 0.023 0.000 0.882 10 N CB -0.594 37.902 38.487 0.015 0.000 1.080 10 N HN 0.653 nan 8.380 nan 0.000 0.481 11 D N -0.636 119.761 120.400 -0.004 0.000 2.144 11 D HA -0.039 4.602 4.640 0.001 0.000 0.199 11 D C 1.887 178.152 176.300 -0.058 0.000 0.984 11 D CA 1.398 55.373 54.000 -0.042 0.000 0.834 11 D CB -0.378 40.380 40.800 -0.070 0.000 0.955 11 D HN 0.517 nan 8.370 nan 0.000 0.465 12 A N 0.846 123.646 122.820 -0.033 0.000 1.858 12 A HA -0.168 4.153 4.320 0.001 0.000 0.216 12 A C 2.125 179.729 177.584 0.033 0.000 1.190 12 A CA 1.255 53.293 52.037 0.002 0.000 0.617 12 A CB -0.438 18.573 19.000 0.018 0.000 0.827 12 A HN 0.057 nan 8.150 nan 0.000 0.443 13 R N -0.695 119.822 120.500 0.029 0.000 2.096 13 R HA -0.091 4.250 4.340 0.001 0.000 0.235 13 R C 2.054 178.369 176.300 0.025 0.000 1.127 13 R CA 1.417 57.535 56.100 0.029 0.000 0.968 13 R CB -0.589 29.728 30.300 0.027 0.000 0.861 13 R HN 0.396 nan 8.270 nan 0.000 0.440 14 V N 1.548 121.471 119.914 0.016 0.000 2.295 14 V HA -0.273 3.847 4.120 0.001 0.000 0.246 14 V C 2.321 178.427 176.094 0.020 0.000 1.049 14 V CA 1.679 63.986 62.300 0.012 0.000 1.024 14 V CB -0.358 31.465 31.823 0.001 0.000 0.648 14 V HN 0.247 nan 8.190 nan 0.000 0.447 15 K N -0.628 119.787 120.400 0.025 0.000 2.026 15 K HA -0.148 4.173 4.320 0.001 0.000 0.208 15 K C 2.140 178.784 176.600 0.072 0.000 1.048 15 K CA 1.775 58.096 56.287 0.057 0.000 0.929 15 K CB -0.536 32.015 32.500 0.084 0.000 0.713 15 K HN 0.437 nan 8.250 nan 0.000 0.439 16 M N 0.713 120.355 119.600 0.071 0.000 2.082 16 M HA -0.227 4.253 4.480 0.001 0.000 0.258 16 M C 2.149 178.471 176.300 0.038 0.000 1.069 16 M CA 1.396 56.730 55.300 0.056 0.000 1.102 16 M CB -0.154 32.475 32.600 0.048 0.000 1.336 16 M HN 0.073 nan 8.290 nan 0.000 0.404 17 L N 0.571 121.813 121.223 0.032 0.000 1.970 17 L HA -0.221 4.120 4.340 0.001 0.000 0.212 17 L C 2.333 179.217 176.870 0.024 0.000 1.071 17 L CA 1.987 56.841 54.840 0.024 0.000 0.751 17 L CB -0.746 41.325 42.059 0.021 0.000 0.889 17 L HN 0.260 nan 8.230 nan 0.000 0.432 18 R N -0.591 119.924 120.500 0.026 0.000 2.103 18 R HA -0.153 4.187 4.340 0.001 0.000 0.242 18 R C 2.196 178.511 176.300 0.025 0.000 1.142 18 R CA 1.271 57.386 56.100 0.024 0.000 0.960 18 R CB -1.113 29.203 30.300 0.025 0.000 0.858 18 R HN 0.622 nan 8.270 nan 0.000 0.439 19 G N 0.550 109.369 108.800 0.032 0.000 2.446 19 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 19 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 19 G C 1.489 176.400 174.900 0.018 0.000 1.168 19 G CA 0.832 45.949 45.100 0.027 0.000 0.771 19 G HN 0.142 nan 8.290 nan 0.000 0.551 20 V N 1.301 121.226 119.914 0.018 0.000 2.295 20 V HA -0.240 3.880 4.120 0.001 0.000 0.246 20 V C 2.599 178.701 176.094 0.014 0.000 1.049 20 V CA 2.313 64.622 62.300 0.015 0.000 1.024 20 V CB -0.768 31.065 31.823 0.016 0.000 0.648 20 V HN 0.408 nan 8.190 nan 0.000 0.447 21 N N -0.269 118.440 118.700 0.015 0.000 2.084 21 N HA -0.156 4.585 4.740 0.001 0.000 0.190 21 N C 1.722 177.240 175.510 0.012 0.000 1.030 21 N CA 1.440 54.498 53.050 0.014 0.000 0.849 21 N CB -0.331 38.164 38.487 0.014 0.000 1.012 21 N HN 0.253 nan 8.380 nan 0.000 0.423 22 V N 1.269 121.191 119.914 0.012 0.000 2.380 22 V HA -0.202 3.919 4.120 0.001 0.000 0.251 22 V C 2.114 178.212 176.094 0.008 0.000 1.063 22 V CA 1.277 63.583 62.300 0.010 0.000 1.055 22 V CB -0.464 31.366 31.823 0.011 0.000 0.657 22 V HN 0.400 nan 8.190 nan 0.000 0.455 23 L N 0.093 121.320 121.223 0.007 0.000 2.034 23 L HA 0.015 4.355 4.340 0.001 0.000 0.203 23 L C 2.495 179.369 176.870 0.007 0.000 1.074 23 L CA 2.579 57.423 54.840 0.005 0.000 0.748 23 L CB -1.265 40.796 42.059 0.004 0.000 0.905 23 L HN 0.326 nan 8.230 nan 0.000 0.439 24 A N -0.687 122.138 122.820 0.009 0.000 1.968 24 A HA -0.196 4.125 4.320 0.001 0.000 0.217 24 A C 1.778 179.369 177.584 0.012 0.000 1.169 24 A CA 1.593 53.637 52.037 0.012 0.000 0.638 24 A CB -0.559 18.450 19.000 0.014 0.000 0.812 24 A HN 0.504 nan 8.150 nan 0.000 0.446 25 D N -0.250 120.156 120.400 0.011 0.000 2.269 25 D HA 0.130 4.770 4.640 0.001 0.000 0.208 25 D C 2.106 178.412 176.300 0.009 0.000 0.963 25 D CA 1.038 55.044 54.000 0.010 0.000 0.864 25 D CB -0.038 40.768 40.800 0.010 0.000 0.936 25 D HN 0.434 nan 8.370 nan 0.000 0.505 26 A N 0.129 122.953 122.820 0.007 0.000 1.855 26 A HA -0.110 4.210 4.320 0.001 0.000 0.215 26 A C 2.309 179.897 177.584 0.007 0.000 1.191 26 A CA 0.890 52.930 52.037 0.006 0.000 0.613 26 A CB -0.831 18.171 19.000 0.004 0.000 0.829 26 A HN 0.119 nan 8.150 nan 0.000 0.442 27 V N 0.332 120.250 119.914 0.008 0.000 2.546 27 V HA -0.309 3.812 4.120 0.001 0.000 0.254 27 V C 2.378 178.479 176.094 0.011 0.000 1.076 27 V CA 2.417 64.723 62.300 0.009 0.000 1.087 27 V CB -0.758 31.071 31.823 0.011 0.000 0.674 27 V HN 0.546 nan 8.190 nan 0.000 0.470 28 K N 0.122 120.529 120.400 0.011 0.000 2.211 28 K HA -0.086 4.235 4.320 0.001 0.000 0.203 28 K C 1.834 178.440 176.600 0.010 0.000 1.050 28 K CA 1.368 57.662 56.287 0.012 0.000 0.945 28 K CB -0.222 32.285 32.500 0.012 0.000 0.732 28 K HN 0.597 nan 8.250 nan 0.000 0.451 29 V N -0.884 119.035 119.914 0.008 0.000 3.444 29 V HA -0.056 4.065 4.120 0.001 0.000 0.271 29 V C 1.394 177.492 176.094 0.006 0.000 1.188 29 V CA 1.688 63.992 62.300 0.007 0.000 1.168 29 V CB -0.794 31.033 31.823 0.005 0.000 0.810 29 V HN 0.318 nan 8.190 nan 0.000 0.500 30 T N -2.965 111.593 114.554 0.006 0.000 3.040 30 T HA 0.361 4.711 4.350 0.001 0.000 0.266 30 T C 0.338 175.041 174.700 0.004 0.000 1.005 30 T CA -0.154 61.949 62.100 0.005 0.000 0.906 30 T CB 0.156 69.027 68.868 0.005 0.000 1.082 30 T HN 0.331 nan 8.240 nan 0.000 0.531 31 L N 2.976 124.202 121.223 0.006 0.000 2.361 31 L HA 0.599 4.939 4.340 0.001 0.000 0.278 31 L C 0.728 177.599 176.870 0.003 0.000 1.113 31 L CA 1.499 56.342 54.840 0.006 0.000 0.849 31 L CB -0.484 41.581 42.059 0.010 0.000 1.155 31 L HN 0.693 nan 8.230 nan 0.000 0.452 32 G N 4.777 113.577 108.800 -0.001 0.000 2.685 32 G HA2 -0.155 3.806 3.960 0.001 0.000 0.387 32 G HA3 -0.155 3.806 3.960 0.001 0.000 0.387 32 G C -2.285 172.606 174.900 -0.014 0.000 1.324 32 G CA -0.287 44.808 45.100 -0.008 0.000 0.878 32 G HN 0.519 nan 8.290 nan 0.000 0.527 33 P HA 0.017 nan 4.420 nan 0.000 0.217 33 P C 1.257 178.542 177.300 -0.025 0.000 1.154 33 P CA 1.391 64.474 63.100 -0.028 0.000 0.841 33 P CB 0.020 31.695 31.700 -0.041 0.000 0.788 34 K N 0.189 120.573 120.400 -0.026 0.000 2.551 34 K HA 0.137 4.458 4.320 0.001 0.000 0.192 34 K C 1.300 177.894 176.600 -0.009 0.000 1.027 34 K CA -0.089 56.187 56.287 -0.018 0.000 1.059 34 K CB -0.328 32.161 32.500 -0.019 0.000 0.831 34 K HN 0.150 nan 8.250 nan 0.000 0.508 35 G N 1.018 109.813 108.800 -0.008 0.000 2.507 35 G HA2 0.186 4.147 3.960 0.001 0.000 0.271 35 G HA3 0.186 4.147 3.960 0.001 0.000 0.271 35 G C -0.072 174.826 174.900 -0.003 0.000 1.189 35 G CA -0.571 44.527 45.100 -0.003 0.000 0.859 35 G HN 0.153 nan 8.290 nan 0.000 0.542 36 R N -0.004 120.496 120.500 -0.000 0.000 2.596 36 R HA 0.473 4.813 4.340 0.001 0.000 0.216 36 R C -0.637 175.664 176.300 0.000 0.000 1.348 36 R CA -0.718 55.382 56.100 -0.000 0.000 1.009 36 R CB 0.538 30.839 30.300 0.001 0.000 1.947 36 R HN 0.568 nan 8.270 nan 0.000 0.526 37 N N -1.527 117.173 118.700 0.001 0.000 2.647 37 N HA 0.514 5.255 4.740 0.001 0.000 0.266 37 N C -1.759 173.751 175.510 0.001 0.000 1.373 37 N CA -0.630 52.421 53.050 0.001 0.000 0.807 37 N CB 2.544 41.031 38.487 -0.000 0.000 1.513 37 N HN 0.121 nan 8.380 nan 0.000 0.505 38 V N 0.324 120.238 119.914 0.001 0.000 3.040 38 V HA 0.682 4.802 4.120 0.001 0.000 0.312 38 V C -0.973 175.120 176.094 -0.001 0.000 1.115 38 V CA -0.693 61.607 62.300 -0.000 0.000 0.998 38 V CB 2.171 33.995 31.823 0.001 0.000 1.042 38 V HN 0.361 nan 8.190 nan 0.000 0.433 39 V N 3.232 123.144 119.914 -0.003 0.000 2.709 39 V HA 0.625 4.745 4.120 0.001 0.000 0.308 39 V C -0.945 175.144 176.094 -0.008 0.000 1.062 39 V CA -0.511 61.786 62.300 -0.005 0.000 0.901 39 V CB 1.926 33.746 31.823 -0.006 0.000 1.003 39 V HN 0.650 nan 8.190 nan 0.000 0.425 40 L N 2.640 123.857 121.223 -0.010 0.000 2.438 40 L HA 0.519 4.860 4.340 0.001 0.000 0.270 40 L C -1.018 175.837 176.870 -0.024 0.000 0.972 40 L CA -0.521 54.310 54.840 -0.015 0.000 0.831 40 L CB 2.251 44.306 42.059 -0.007 0.000 1.273 40 L HN 0.592 nan 8.230 nan 0.000 0.405 41 D N 3.482 123.857 120.400 -0.042 0.000 2.435 41 D HA 0.059 4.700 4.640 0.001 0.000 0.230 41 D C -0.031 176.206 176.300 -0.104 0.000 1.215 41 D CA -0.092 53.869 54.000 -0.066 0.000 0.947 41 D CB 0.600 41.354 40.800 -0.076 0.000 1.048 41 D HN 0.264 nan 8.370 nan 0.000 0.512 42 K N 2.221 122.578 120.400 -0.072 0.000 2.199 42 K HA 0.013 4.333 4.320 0.001 0.000 0.226 42 K C 1.352 177.846 176.600 -0.176 0.000 1.237 42 K CA -0.064 56.171 56.287 -0.087 0.000 1.170 42 K CB -0.031 32.507 32.500 0.064 0.000 1.418 42 K HN 0.398 nan 8.250 nan 0.000 0.255 43 S N 0.438 115.919 115.700 -0.365 0.000 2.493 43 S HA -0.176 4.295 4.470 0.001 0.000 0.243 43 S C 1.435 175.882 174.600 -0.255 0.000 0.991 43 S CA 0.757 58.771 58.200 -0.310 0.000 0.957 43 S CB -0.436 62.559 63.200 -0.340 0.000 0.756 43 S HN 0.422 nan 8.310 nan 0.000 0.521 44 F N 2.298 122.248 119.950 -0.001 0.000 2.250 44 F HA 0.171 4.699 4.527 0.001 0.000 0.301 44 F C 2.324 178.124 175.800 0.000 0.000 1.077 44 F CA 0.675 58.674 58.000 -0.000 0.000 1.348 44 F CB -0.960 38.040 39.000 -0.000 0.000 1.040 44 F HN 0.482 nan 8.300 nan 0.000 0.509 45 G N -1.959 106.925 108.800 0.139 0.000 2.641 45 G HA2 0.575 4.536 3.960 0.001 0.000 0.211 45 G HA3 0.575 4.536 3.960 0.001 0.000 0.211 45 G C -0.324 174.596 174.900 0.034 0.000 1.338 45 G CA 0.487 45.634 45.100 0.079 0.000 0.572 45 G HN 0.474 nan 8.290 nan 0.000 1.023 46 A N -0.604 122.229 122.820 0.023 0.000 2.583 46 A HA 0.710 5.031 4.320 0.001 0.000 0.292 46 A C -3.242 174.340 177.584 -0.003 0.000 1.045 46 A CA -0.796 51.243 52.037 0.004 0.000 0.672 46 A CB 0.478 19.485 19.000 0.011 0.000 1.283 46 A HN 0.058 nan 8.150 nan 0.000 0.419 47 P HA 0.375 nan 4.420 nan 0.000 0.269 47 P C -0.309 176.992 177.300 0.001 0.000 1.217 47 P CA 0.376 63.468 63.100 -0.012 0.000 0.783 47 P CB 0.542 32.233 31.700 -0.016 0.000 0.898 48 T N 2.312 116.868 114.554 0.002 0.000 2.829 48 T HA 0.529 4.880 4.350 0.001 0.000 0.280 48 T C 0.087 174.789 174.700 0.004 0.000 0.999 48 T CA -0.239 61.866 62.100 0.008 0.000 0.983 48 T CB 0.433 69.310 68.868 0.015 0.000 0.968 48 T HN 0.064 nan 8.240 nan 0.000 0.446 49 I N 2.285 122.858 120.570 0.005 0.000 2.428 49 I HA 0.615 4.786 4.170 0.001 0.000 0.296 49 I C 0.684 176.804 176.117 0.005 0.000 0.985 49 I CA -0.018 61.284 61.300 0.003 0.000 1.260 49 I CB 1.780 39.782 38.000 0.002 0.000 1.389 49 I HN 0.564 nan 8.210 nan 0.000 0.484 50 T N 3.577 118.133 114.554 0.004 0.000 2.843 50 T HA 0.422 4.772 4.350 0.001 0.000 0.302 50 T C -0.026 174.676 174.700 0.004 0.000 1.232 50 T CA -0.577 61.526 62.100 0.005 0.000 1.009 50 T CB 1.303 70.175 68.868 0.006 0.000 1.254 50 T HN 0.695 nan 8.240 nan 0.000 0.504 51 K N 0.684 121.087 120.400 0.005 0.000 2.438 51 K HA 0.273 4.594 4.320 0.001 0.000 0.206 51 K C -0.511 176.093 176.600 0.007 0.000 1.081 51 K CA -0.156 56.133 56.287 0.005 0.000 1.053 51 K CB 0.425 32.927 32.500 0.003 0.000 0.908 51 K HN 0.636 nan 8.250 nan 0.000 0.556 52 D N -2.167 118.238 120.400 0.008 0.000 2.252 52 D HA 0.249 4.890 4.640 0.001 0.000 0.245 52 D C 1.043 177.350 176.300 0.010 0.000 1.009 52 D CA -0.648 53.358 54.000 0.011 0.000 0.870 52 D CB 1.748 42.555 40.800 0.012 0.000 1.251 52 D HN -0.018 nan 8.370 nan 0.000 0.460 53 G N 1.155 109.962 108.800 0.013 0.000 2.422 53 G HA2 -0.186 3.774 3.960 0.001 0.000 0.218 53 G HA3 -0.186 3.774 3.960 0.001 0.000 0.218 53 G C 1.393 176.299 174.900 0.009 0.000 1.140 53 G CA 0.703 45.811 45.100 0.012 0.000 0.775 53 G HN 0.421 nan 8.290 nan 0.000 0.545 54 V N 0.763 120.683 119.914 0.010 0.000 2.548 54 V HA -0.117 4.004 4.120 0.001 0.000 0.249 54 V C 2.918 179.014 176.094 0.004 0.000 1.055 54 V CA 2.551 64.853 62.300 0.004 0.000 1.065 54 V CB -0.281 31.544 31.823 0.003 0.000 0.681 54 V HN 0.354 nan 8.190 nan 0.000 0.462 55 S N 0.105 115.809 115.700 0.007 0.000 2.351 55 S HA -0.182 4.288 4.470 0.001 0.000 0.220 55 S C 1.853 176.456 174.600 0.005 0.000 1.035 55 S CA 1.785 59.990 58.200 0.008 0.000 1.031 55 S CB -0.434 62.772 63.200 0.009 0.000 0.928 55 S HN 0.479 nan 8.310 nan 0.000 0.433 56 V N 1.924 121.840 119.914 0.005 0.000 2.626 56 V HA -0.120 4.000 4.120 0.001 0.000 0.252 56 V C 2.470 178.565 176.094 0.001 0.000 1.067 56 V CA 1.387 63.689 62.300 0.003 0.000 1.081 56 V CB -1.266 30.559 31.823 0.004 0.000 0.686 56 V HN 0.519 nan 8.190 nan 0.000 0.468 57 A N 0.280 123.100 122.820 0.001 0.000 1.840 57 A HA -0.159 4.162 4.320 0.001 0.000 0.214 57 A C 2.400 179.982 177.584 -0.003 0.000 1.198 57 A CA 1.533 53.569 52.037 -0.002 0.000 0.608 57 A CB -0.478 18.519 19.000 -0.004 0.000 0.839 57 A HN 0.433 nan 8.150 nan 0.000 0.443 58 R N -0.315 120.184 120.500 -0.002 0.000 2.091 58 R HA -0.102 4.238 4.340 0.001 0.000 0.238 58 R C 1.577 177.880 176.300 0.006 0.000 1.136 58 R CA 1.452 57.552 56.100 0.001 0.000 0.959 58 R CB -0.218 30.084 30.300 0.003 0.000 0.856 58 R HN 0.462 nan 8.270 nan 0.000 0.437 59 E N 0.052 120.256 120.200 0.007 0.000 2.502 59 E HA 0.040 4.390 4.350 0.001 0.000 0.194 59 E C 0.278 176.875 176.600 -0.005 0.000 1.062 59 E CA 0.341 56.745 56.400 0.006 0.000 0.867 59 E CB 0.304 30.006 29.700 0.004 0.000 0.888 59 E HN 0.193 nan 8.360 nan 0.000 0.510 60 I N 1.101 121.668 120.570 -0.005 0.000 2.392 60 I HA 0.322 4.492 4.170 0.001 0.000 0.295 60 I C 0.084 176.196 176.117 -0.009 0.000 0.985 60 I CA -0.584 60.711 61.300 -0.009 0.000 1.221 60 I CB 1.365 39.361 38.000 -0.007 0.000 1.366 60 I HN -0.090 nan 8.210 nan 0.000 0.467 61 E N 5.560 125.753 120.200 -0.012 0.000 2.415 61 E HA 0.315 4.666 4.350 0.001 0.000 0.302 61 E C -1.313 175.279 176.600 -0.013 0.000 0.907 61 E CA -0.511 55.881 56.400 -0.013 0.000 0.798 61 E CB 1.500 31.193 29.700 -0.012 0.000 1.315 61 E HN 0.257 nan 8.360 nan 0.000 0.396 62 L N 2.548 123.765 121.223 -0.011 0.000 2.822 62 L HA 0.451 4.791 4.340 0.001 0.000 0.153 62 L C 1.330 178.197 176.870 -0.004 0.000 1.695 62 L CA 0.553 55.390 54.840 -0.005 0.000 2.336 62 L CB -0.350 41.711 42.059 0.003 0.000 2.854 62 L HN 0.881 nan 8.230 nan 0.000 0.610 63 E N -1.490 118.713 120.200 0.005 0.000 2.926 63 E HA -0.038 4.313 4.350 0.001 0.000 0.232 63 E C -0.090 176.525 176.600 0.025 0.000 1.095 63 E CA -0.290 56.116 56.400 0.009 0.000 1.755 63 E CB 0.538 30.243 29.700 0.009 0.000 2.411 63 E HN 0.599 nan 8.360 nan 0.000 1.046 64 D N 1.816 122.242 120.400 0.042 0.000 2.451 64 D HA -0.056 4.585 4.640 0.001 0.000 0.254 64 D C 0.676 177.021 176.300 0.075 0.000 1.204 64 D CA 0.222 54.272 54.000 0.083 0.000 0.896 64 D CB 0.983 41.839 40.800 0.093 0.000 1.136 64 D HN 0.069 nan 8.370 nan 0.000 0.499 65 K N 3.622 124.067 120.400 0.075 0.000 2.211 65 K HA -0.109 4.211 4.320 0.001 0.000 0.203 65 K C 1.712 178.175 176.600 -0.227 0.000 1.050 65 K CA 0.898 57.121 56.287 -0.106 0.000 0.945 65 K CB -0.180 32.198 32.500 -0.204 0.000 0.732 65 K HN 0.517 nan 8.250 nan 0.000 0.451 66 F N 1.422 121.364 119.950 -0.013 0.000 2.317 66 F HA 0.037 4.564 4.527 0.001 0.000 0.293 66 F C 2.205 177.997 175.800 -0.014 0.000 1.085 66 F CA 0.578 58.568 58.000 -0.017 0.000 1.390 66 F CB -0.061 38.929 39.000 -0.016 0.000 1.077 66 F HN 0.038 nan 8.300 nan 0.000 0.517 67 E N 0.210 120.504 120.200 0.157 0.000 2.107 67 E HA -0.212 4.139 4.350 0.001 0.000 0.191 67 E C 1.652 178.271 176.600 0.032 0.000 0.982 67 E CA 1.150 57.597 56.400 0.079 0.000 0.809 67 E CB -0.344 29.396 29.700 0.067 0.000 0.756 67 E HN 0.328 nan 8.360 nan 0.000 0.459 68 N N 1.037 119.743 118.700 0.010 0.000 2.104 68 N HA -0.173 4.568 4.740 0.001 0.000 0.190 68 N C 1.807 177.293 175.510 -0.040 0.000 1.024 68 N CA 1.325 54.362 53.050 -0.021 0.000 0.853 68 N CB -0.025 38.440 38.487 -0.036 0.000 1.008 68 N HN 0.063 nan 8.380 nan 0.000 0.424 69 M N -0.657 118.903 119.600 -0.067 0.000 2.106 69 M HA -0.105 4.376 4.480 0.001 0.000 0.259 69 M C 2.165 178.447 176.300 -0.031 0.000 1.068 69 M CA 1.783 57.040 55.300 -0.071 0.000 1.100 69 M CB -0.668 31.868 32.600 -0.107 0.000 1.351 69 M HN 0.381 nan 8.290 nan 0.000 0.404 70 G N -0.245 108.552 108.800 -0.005 0.000 2.421 70 G HA2 -0.144 3.816 3.960 0.001 0.000 0.216 70 G HA3 -0.144 3.816 3.960 0.001 0.000 0.216 70 G C 1.606 176.505 174.900 -0.002 0.000 1.171 70 G CA 0.982 46.085 45.100 0.005 0.000 0.775 70 G HN 0.551 nan 8.290 nan 0.000 0.543 71 A N 0.045 122.863 122.820 -0.003 0.000 1.902 71 A HA -0.085 4.236 4.320 0.001 0.000 0.217 71 A C 2.395 179.971 177.584 -0.013 0.000 1.181 71 A CA 1.931 53.965 52.037 -0.006 0.000 0.623 71 A CB -0.355 18.643 19.000 -0.005 0.000 0.818 71 A HN 0.343 nan 8.150 nan 0.000 0.443 72 Q N -0.796 118.992 119.800 -0.022 0.000 2.119 72 Q HA -0.093 4.248 4.340 0.001 0.000 0.201 72 Q C 2.183 178.167 176.000 -0.027 0.000 0.972 72 Q CA 1.435 57.222 55.803 -0.027 0.000 0.847 72 Q CB -0.403 28.312 28.738 -0.037 0.000 0.903 72 Q HN 0.774 nan 8.270 nan 0.000 0.433 73 M N 0.371 119.957 119.600 -0.025 0.000 2.117 73 M HA -0.135 4.345 4.480 0.001 0.000 0.262 73 M C 2.228 178.516 176.300 -0.020 0.000 1.065 73 M CA 1.389 56.676 55.300 -0.022 0.000 1.114 73 M CB -0.392 32.198 32.600 -0.016 0.000 1.361 73 M HN 0.121 nan 8.290 nan 0.000 0.408 74 V N -2.121 117.786 119.914 -0.012 0.000 3.305 74 V HA -0.117 4.003 4.120 0.001 0.000 0.269 74 V C 1.850 177.934 176.094 -0.017 0.000 1.157 74 V CA 1.382 63.676 62.300 -0.009 0.000 1.157 74 V CB -1.097 30.726 31.823 0.001 0.000 0.772 74 V HN 0.425 nan 8.190 nan 0.000 0.498 75 K N 0.585 120.973 120.400 -0.022 0.000 2.362 75 K HA -0.177 4.144 4.320 0.001 0.000 0.200 75 K C 2.106 178.681 176.600 -0.042 0.000 1.046 75 K CA 1.466 57.737 56.287 -0.026 0.000 0.952 75 K CB 0.040 32.526 32.500 -0.023 0.000 0.753 75 K HN 0.779 nan 8.250 nan 0.000 0.466 76 E N -0.123 120.046 120.200 -0.052 0.000 2.008 76 E HA -0.141 4.210 4.350 0.001 0.000 0.191 76 E C 1.811 178.350 176.600 -0.101 0.000 0.986 76 E CA 0.897 57.247 56.400 -0.084 0.000 0.807 76 E CB -0.036 29.611 29.700 -0.087 0.000 0.766 76 E HN 0.069 nan 8.360 nan 0.000 0.450 77 V N 0.736 120.610 119.914 -0.068 0.000 2.469 77 V HA -0.232 3.889 4.120 0.001 0.000 0.251 77 V C 2.112 178.197 176.094 -0.016 0.000 1.064 77 V CA 2.060 64.333 62.300 -0.045 0.000 1.066 77 V CB -0.338 31.493 31.823 0.013 0.000 0.667 77 V HN 0.495 nan 8.190 nan 0.000 0.461 78 A N -1.977 120.835 122.820 -0.014 0.000 2.016 78 A HA -0.089 4.232 4.320 0.001 0.000 0.217 78 A C 2.453 180.030 177.584 -0.012 0.000 1.162 78 A CA 1.742 53.780 52.037 0.002 0.000 0.662 78 A CB -0.385 18.616 19.000 0.001 0.000 0.812 78 A HN 0.507 nan 8.150 nan 0.000 0.450 79 S N -1.217 114.457 115.700 -0.045 0.000 2.441 79 S HA 0.014 4.485 4.470 0.001 0.000 0.224 79 S C 1.986 176.535 174.600 -0.085 0.000 1.043 79 S CA 0.512 58.681 58.200 -0.052 0.000 0.948 79 S CB -0.177 62.991 63.200 -0.054 0.000 0.810 79 S HN 0.339 nan 8.310 nan 0.000 0.504 80 K N 1.893 122.187 120.400 -0.177 0.000 2.281 80 K HA 0.040 4.360 4.320 0.001 0.000 0.203 80 K C 1.878 178.383 176.600 -0.158 0.000 1.046 80 K CA 0.960 57.052 56.287 -0.325 0.000 0.938 80 K CB -0.692 31.354 32.500 -0.757 0.000 0.737 80 K HN 0.421 nan 8.250 nan 0.000 0.458 81 A N 1.616 124.449 122.820 0.021 0.000 1.834 81 A HA -0.200 4.120 4.320 0.001 0.000 0.216 81 A C 2.060 179.686 177.584 0.070 0.000 1.203 81 A CA 1.820 53.941 52.037 0.141 0.000 0.621 81 A CB -0.799 18.272 19.000 0.119 0.000 0.841 81 A HN 0.430 nan 8.150 nan 0.000 0.446 82 N N -0.331 118.386 118.700 0.028 0.000 2.381 82 N HA -0.121 4.620 4.740 0.001 0.000 0.182 82 N C 0.226 175.729 175.510 -0.012 0.000 1.025 82 N CA 1.123 54.181 53.050 0.014 0.000 0.888 82 N CB -0.190 38.303 38.487 0.010 0.000 0.965 82 N HN 0.408 nan 8.380 nan 0.000 0.438 83 D N -0.539 119.845 120.400 -0.028 0.000 2.328 83 D HA 0.113 4.754 4.640 0.001 0.000 0.226 83 D C 0.792 177.070 176.300 -0.036 0.000 1.066 83 D CA 0.190 54.162 54.000 -0.046 0.000 0.861 83 D CB 0.797 41.558 40.800 -0.065 0.000 0.912 83 D HN 0.381 nan 8.370 nan 0.000 0.521 84 A N -0.239 122.582 122.820 0.003 0.000 1.806 84 A HA 0.440 4.761 4.320 0.001 0.000 0.193 84 A C 1.551 179.170 177.584 0.059 0.000 1.883 84 A CA 0.594 52.654 52.037 0.038 0.000 1.434 84 A CB 0.178 19.238 19.000 0.101 0.000 1.505 84 A HN 0.104 nan 8.150 nan 0.000 0.364 85 A N -1.359 121.514 122.820 0.088 0.000 2.259 85 A HA 0.507 4.828 4.320 0.001 0.000 0.213 85 A C 1.944 179.568 177.584 0.067 0.000 1.209 85 A CA 1.420 53.505 52.037 0.079 0.000 0.910 85 A CB -0.185 18.875 19.000 0.099 0.000 0.946 85 A HN 2.124 nan 8.150 nan 0.000 0.497 86 G N -0.039 108.797 108.800 0.060 0.000 4.890 86 G HA2 -0.297 3.663 3.960 0.001 0.000 0.221 86 G HA3 -0.297 3.663 3.960 0.001 0.000 0.221 86 G C 0.256 175.190 174.900 0.057 0.000 1.472 86 G CA 0.464 45.602 45.100 0.064 0.000 0.962 86 G HN 0.654 nan 8.290 nan 0.000 0.671 87 D N 1.005 121.438 120.400 0.055 0.000 2.466 87 D HA 0.535 5.176 4.640 0.001 0.000 0.262 87 D C 1.360 177.690 176.300 0.050 0.000 1.177 87 D CA 1.184 55.211 54.000 0.045 0.000 1.035 87 D CB 0.689 41.510 40.800 0.035 0.000 1.105 87 D HN 1.737 nan 8.370 nan 0.000 0.551 88 G N -0.355 108.471 108.800 0.042 0.000 2.141 88 G HA2 -0.298 3.662 3.960 0.001 0.000 0.231 88 G HA3 -0.298 3.662 3.960 0.001 0.000 0.231 88 G C 1.057 175.990 174.900 0.056 0.000 0.984 88 G CA 1.299 46.427 45.100 0.045 0.000 0.660 88 G HN 0.679 nan 8.290 nan 0.000 0.525 89 T N -2.093 112.490 114.554 0.048 0.000 2.622 89 T HA -0.172 4.179 4.350 0.001 0.000 0.266 89 T C 2.217 176.940 174.700 0.038 0.000 1.047 89 T CA 2.725 64.851 62.100 0.043 0.000 1.159 89 T CB -0.901 67.984 68.868 0.030 0.000 0.863 89 T HN 0.360 nan 8.240 nan 0.000 0.422 90 T N 1.802 116.373 114.554 0.029 0.000 2.746 90 T HA -0.094 4.256 4.350 0.001 0.000 0.267 90 T C 2.282 177.000 174.700 0.029 0.000 1.039 90 T CA 1.863 63.978 62.100 0.025 0.000 1.142 90 T CB -1.019 67.861 68.868 0.019 0.000 0.866 90 T HN 0.590 nan 8.240 nan 0.000 0.444 91 T N 2.211 116.784 114.554 0.031 0.000 2.652 91 T HA -0.083 4.268 4.350 0.001 0.000 0.267 91 T C 2.429 177.152 174.700 0.039 0.000 1.039 91 T CA 1.260 63.378 62.100 0.030 0.000 1.153 91 T CB -0.678 68.206 68.868 0.026 0.000 0.863 91 T HN 0.442 nan 8.240 nan 0.000 0.428 92 A N 1.518 124.372 122.820 0.057 0.000 1.908 92 A HA -0.166 4.155 4.320 0.001 0.000 0.218 92 A C 2.580 180.201 177.584 0.062 0.000 1.181 92 A CA 2.253 54.338 52.037 0.080 0.000 0.627 92 A CB -1.369 17.715 19.000 0.139 0.000 0.818 92 A HN 0.511 nan 8.150 nan 0.000 0.445 93 T N -0.485 114.098 114.554 0.048 0.000 2.708 93 T HA -0.108 4.243 4.350 0.001 0.000 0.266 93 T C 1.874 176.592 174.700 0.029 0.000 1.037 93 T CA 1.501 63.621 62.100 0.034 0.000 1.146 93 T CB -0.478 68.406 68.868 0.026 0.000 0.865 93 T HN 0.146 nan 8.240 nan 0.000 0.435 94 V N 1.514 121.445 119.914 0.028 0.000 2.295 94 V HA -0.123 3.997 4.120 0.001 0.000 0.246 94 V C 2.507 178.616 176.094 0.025 0.000 1.049 94 V CA 1.510 63.824 62.300 0.024 0.000 1.024 94 V CB -0.665 31.171 31.823 0.022 0.000 0.648 94 V HN 0.427 nan 8.190 nan 0.000 0.447 95 L N -0.191 121.049 121.223 0.028 0.000 2.046 95 L HA -0.151 4.190 4.340 0.001 0.000 0.208 95 L C 2.741 179.629 176.870 0.029 0.000 1.077 95 L CA 1.565 56.421 54.840 0.027 0.000 0.747 95 L CB -0.845 41.229 42.059 0.026 0.000 0.896 95 L HN 0.362 nan 8.230 nan 0.000 0.432 96 A N 0.786 123.627 122.820 0.036 0.000 1.865 96 A HA -0.293 4.028 4.320 0.001 0.000 0.217 96 A C 2.242 179.843 177.584 0.027 0.000 1.191 96 A CA 1.990 54.049 52.037 0.036 0.000 0.623 96 A CB -0.760 18.265 19.000 0.041 0.000 0.826 96 A HN 0.616 nan 8.150 nan 0.000 0.444 97 Q N -0.549 119.266 119.800 0.024 0.000 2.170 97 Q HA 0.057 4.397 4.340 0.001 0.000 0.203 97 Q C 1.923 177.935 176.000 0.019 0.000 0.976 97 Q CA 1.853 57.669 55.803 0.020 0.000 0.858 97 Q CB -0.545 28.204 28.738 0.019 0.000 0.907 97 Q HN 0.492 nan 8.270 nan 0.000 0.433 98 A N 1.398 124.229 122.820 0.020 0.000 1.873 98 A HA -0.059 4.261 4.320 0.001 0.000 0.215 98 A C 2.161 179.756 177.584 0.018 0.000 1.186 98 A CA 1.315 53.363 52.037 0.018 0.000 0.616 98 A CB -0.600 18.411 19.000 0.018 0.000 0.823 98 A HN 0.426 nan 8.150 nan 0.000 0.442 99 I N -0.337 120.244 120.570 0.019 0.000 2.315 99 I HA -0.231 3.939 4.170 0.001 0.000 0.248 99 I C 2.251 178.379 176.117 0.019 0.000 1.117 99 I CA 1.070 62.381 61.300 0.019 0.000 1.404 99 I CB -0.367 37.645 38.000 0.020 0.000 1.071 99 I HN 0.291 nan 8.210 nan 0.000 0.419 100 I N 0.481 121.062 120.570 0.020 0.000 2.142 100 I HA -0.289 3.882 4.170 0.001 0.000 0.240 100 I C 2.600 178.728 176.117 0.018 0.000 1.078 100 I CA 1.717 63.029 61.300 0.019 0.000 1.343 100 I CB -0.604 37.407 38.000 0.019 0.000 1.046 100 I HN 0.215 nan 8.210 nan 0.000 0.405 101 T N 0.111 114.675 114.554 0.017 0.000 2.708 101 T HA -0.148 4.202 4.350 0.001 0.000 0.266 101 T C 1.793 176.502 174.700 0.015 0.000 1.037 101 T CA 1.261 63.370 62.100 0.016 0.000 1.146 101 T CB -0.177 68.700 68.868 0.015 0.000 0.865 101 T HN 0.282 nan 8.240 nan 0.000 0.435 102 E N 0.624 120.833 120.200 0.014 0.000 2.208 102 E HA 0.043 4.393 4.350 0.001 0.000 0.193 102 E C 2.487 179.095 176.600 0.013 0.000 0.988 102 E CA 0.782 57.190 56.400 0.013 0.000 0.828 102 E CB -0.658 29.049 29.700 0.013 0.000 0.763 102 E HN 0.571 nan 8.360 nan 0.000 0.478 103 G N 1.127 109.936 108.800 0.015 0.000 2.394 103 G HA2 -0.151 3.809 3.960 0.001 0.000 0.215 103 G HA3 -0.151 3.809 3.960 0.001 0.000 0.215 103 G C 1.728 176.637 174.900 0.015 0.000 1.165 103 G CA 0.138 45.247 45.100 0.015 0.000 0.784 103 G HN 0.151 nan 8.290 nan 0.000 0.535 104 L N 0.152 121.384 121.223 0.016 0.000 2.083 104 L HA -0.050 4.291 4.340 0.001 0.000 0.209 104 L C 2.811 179.690 176.870 0.015 0.000 1.083 104 L CA 1.309 56.159 54.840 0.017 0.000 0.752 104 L CB -0.293 41.777 42.059 0.018 0.000 0.899 104 L HN 0.218 nan 8.230 nan 0.000 0.433 105 K N 0.346 120.754 120.400 0.014 0.000 2.063 105 K HA -0.217 4.104 4.320 0.001 0.000 0.208 105 K C 2.127 178.734 176.600 0.012 0.000 1.048 105 K CA 1.503 57.797 56.287 0.012 0.000 0.928 105 K CB -0.074 32.433 32.500 0.011 0.000 0.713 105 K HN 0.291 nan 8.250 nan 0.000 0.442 106 A N 0.416 123.243 122.820 0.012 0.000 1.898 106 A HA -0.083 4.238 4.320 0.001 0.000 0.216 106 A C 2.192 179.783 177.584 0.013 0.000 1.181 106 A CA 1.369 53.413 52.037 0.012 0.000 0.620 106 A CB -0.472 18.535 19.000 0.011 0.000 0.819 106 A HN 0.171 nan 8.150 nan 0.000 0.442 107 V N -0.164 119.759 119.914 0.014 0.000 2.407 107 V HA -0.226 3.895 4.120 0.001 0.000 0.248 107 V C 2.992 179.096 176.094 0.016 0.000 1.055 107 V CA 1.824 64.134 62.300 0.016 0.000 1.049 107 V CB -1.052 30.782 31.823 0.019 0.000 0.662 107 V HN 0.610 nan 8.190 nan 0.000 0.455 108 A N 0.019 122.848 122.820 0.015 0.000 1.898 108 A HA -0.030 4.290 4.320 0.001 0.000 0.216 108 A C 2.422 180.013 177.584 0.011 0.000 1.181 108 A CA 1.711 53.756 52.037 0.014 0.000 0.620 108 A CB -0.732 18.275 19.000 0.013 0.000 0.819 108 A HN 0.549 nan 8.150 nan 0.000 0.442 109 A N -1.783 121.043 122.820 0.010 0.000 2.024 109 A HA 0.283 4.604 4.320 0.001 0.000 0.220 109 A C 1.933 179.523 177.584 0.009 0.000 1.164 109 A CA 1.974 54.016 52.037 0.009 0.000 0.643 109 A CB -0.795 18.210 19.000 0.008 0.000 0.806 109 A HN 1.904 nan 8.150 nan 0.000 0.451 110 G N -3.467 105.339 108.800 0.010 0.000 2.183 110 G HA2 -0.108 3.852 3.960 0.001 0.000 0.168 110 G HA3 -0.108 3.852 3.960 0.001 0.000 0.168 110 G C 0.002 174.909 174.900 0.011 0.000 1.008 110 G CA 0.050 45.156 45.100 0.011 0.000 0.677 110 G HN 0.256 nan 8.290 nan 0.000 0.498 111 M N 1.222 120.828 119.600 0.011 0.000 2.245 111 M HA 0.319 4.800 4.480 0.001 0.000 0.330 111 M C 0.792 177.099 176.300 0.013 0.000 1.098 111 M CA -0.485 54.822 55.300 0.011 0.000 1.172 111 M CB 0.238 32.844 32.600 0.010 0.000 1.467 111 M HN 0.246 nan 8.290 nan 0.000 0.454 112 N N 2.881 121.588 118.700 0.012 0.000 2.434 112 N HA 0.048 4.789 4.740 0.001 0.000 0.268 112 N C -2.099 173.420 175.510 0.015 0.000 1.256 112 N CA -1.315 51.743 53.050 0.013 0.000 0.914 112 N CB 0.560 39.055 38.487 0.012 0.000 1.088 112 N HN 0.264 nan 8.380 nan 0.000 0.478 113 P HA -0.125 nan 4.420 nan 0.000 0.219 113 P C 1.073 178.382 177.300 0.016 0.000 1.146 113 P CA 1.094 64.205 63.100 0.017 0.000 0.808 113 P CB 0.186 31.898 31.700 0.020 0.000 0.779 114 M N -1.274 118.336 119.600 0.015 0.000 2.466 114 M HA 0.031 4.511 4.480 0.001 0.000 0.265 114 M C 1.278 177.586 176.300 0.013 0.000 1.122 114 M CA 1.423 56.732 55.300 0.014 0.000 1.157 114 M CB -0.672 31.937 32.600 0.015 0.000 1.352 114 M HN -0.285 nan 8.290 nan 0.000 0.464 115 D N -0.072 120.335 120.400 0.012 0.000 2.183 115 D HA -0.072 4.568 4.640 0.001 0.000 0.203 115 D C 2.006 178.312 176.300 0.010 0.000 0.969 115 D CA 1.080 55.086 54.000 0.010 0.000 0.842 115 D CB -0.087 40.719 40.800 0.009 0.000 0.957 115 D HN 0.343 nan 8.370 nan 0.000 0.484 116 L N 0.852 122.082 121.223 0.011 0.000 2.012 116 L HA -0.208 4.133 4.340 0.001 0.000 0.210 116 L C 2.578 179.455 176.870 0.012 0.000 1.073 116 L CA 1.297 56.144 54.840 0.012 0.000 0.748 116 L CB -0.354 41.713 42.059 0.013 0.000 0.891 116 L HN -0.021 nan 8.230 nan 0.000 0.431 117 K N 0.331 120.739 120.400 0.013 0.000 2.032 117 K HA -0.214 4.106 4.320 0.001 0.000 0.209 117 K C 2.279 178.886 176.600 0.012 0.000 1.048 117 K CA 1.550 57.845 56.287 0.013 0.000 0.927 117 K CB -0.018 32.490 32.500 0.014 0.000 0.712 117 K HN 0.188 nan 8.250 nan 0.000 0.441 118 R N -0.594 119.913 120.500 0.011 0.000 2.127 118 R HA -0.106 4.234 4.340 0.001 0.000 0.238 118 R C 2.393 178.698 176.300 0.008 0.000 1.134 118 R CA 1.304 57.410 56.100 0.009 0.000 0.975 118 R CB -0.380 29.925 30.300 0.009 0.000 0.865 118 R HN 0.374 nan 8.270 nan 0.000 0.447 119 G N 0.822 109.627 108.800 0.009 0.000 2.394 119 G HA2 -0.176 3.785 3.960 0.001 0.000 0.215 119 G HA3 -0.176 3.785 3.960 0.001 0.000 0.215 119 G C 1.421 176.325 174.900 0.008 0.000 1.165 119 G CA 0.357 45.461 45.100 0.008 0.000 0.784 119 G HN 0.132 nan 8.290 nan 0.000 0.535 120 I N 1.130 121.705 120.570 0.009 0.000 2.127 120 I HA -0.166 4.004 4.170 0.001 0.000 0.241 120 I C 2.368 178.491 176.117 0.009 0.000 1.075 120 I CA 1.449 62.755 61.300 0.010 0.000 1.334 120 I CB -0.251 37.757 38.000 0.012 0.000 1.040 120 I HN 0.036 nan 8.210 nan 0.000 0.405 121 D N 0.692 121.097 120.400 0.009 0.000 2.123 121 D HA -0.225 4.415 4.640 0.001 0.000 0.196 121 D C 2.085 178.389 176.300 0.006 0.000 0.992 121 D CA 1.225 55.230 54.000 0.008 0.000 0.833 121 D CB -0.212 40.593 40.800 0.009 0.000 0.954 121 D HN 0.237 nan 8.370 nan 0.000 0.455 122 K N 0.324 120.727 120.400 0.006 0.000 2.057 122 K HA -0.098 4.223 4.320 0.001 0.000 0.207 122 K C 1.955 178.557 176.600 0.003 0.000 1.049 122 K CA 1.314 57.603 56.287 0.004 0.000 0.931 122 K CB -0.058 32.444 32.500 0.005 0.000 0.714 122 K HN 0.074 nan 8.250 nan 0.000 0.440 123 A N 0.514 123.336 122.820 0.004 0.000 1.898 123 A HA -0.086 4.235 4.320 0.001 0.000 0.216 123 A C 2.231 179.815 177.584 0.000 0.000 1.181 123 A CA 1.498 53.537 52.037 0.003 0.000 0.620 123 A CB -0.629 18.373 19.000 0.004 0.000 0.819 123 A HN 0.163 nan 8.150 nan 0.000 0.442 124 V N -0.022 119.892 119.914 0.000 0.000 2.287 124 V HA -0.257 3.864 4.120 0.001 0.000 0.248 124 V C 2.766 178.856 176.094 -0.007 0.000 1.053 124 V CA 2.542 64.839 62.300 -0.004 0.000 1.027 124 V CB -1.320 30.501 31.823 -0.002 0.000 0.646 124 V HN 0.622 nan 8.190 nan 0.000 0.447 125 T N 0.420 114.972 114.554 -0.003 0.000 2.652 125 T HA -0.228 4.122 4.350 0.001 0.000 0.267 125 T C 2.056 176.754 174.700 -0.004 0.000 1.039 125 T CA 1.853 63.951 62.100 -0.004 0.000 1.153 125 T CB -0.504 68.364 68.868 -0.001 0.000 0.863 125 T HN 0.593 nan 8.240 nan 0.000 0.428 126 A N 1.515 124.333 122.820 -0.003 0.000 1.858 126 A HA 0.144 4.464 4.320 0.001 0.000 0.216 126 A C 2.681 180.262 177.584 -0.005 0.000 1.190 126 A CA 1.943 53.979 52.037 -0.002 0.000 0.617 126 A CB -1.238 17.762 19.000 -0.000 0.000 0.827 126 A HN 0.519 nan 8.150 nan 0.000 0.443 127 A N -0.682 122.135 122.820 -0.006 0.000 1.978 127 A HA -0.014 4.307 4.320 0.001 0.000 0.220 127 A C 2.193 179.768 177.584 -0.014 0.000 1.170 127 A CA 1.792 53.824 52.037 -0.008 0.000 0.636 127 A CB -0.865 18.130 19.000 -0.008 0.000 0.810 127 A HN 0.406 nan 8.150 nan 0.000 0.448 128 V N 0.229 120.133 119.914 -0.018 0.000 2.427 128 V HA -0.188 3.932 4.120 0.001 0.000 0.248 128 V C 2.507 178.590 176.094 -0.017 0.000 1.051 128 V CA 2.041 64.326 62.300 -0.024 0.000 1.048 128 V CB -0.589 31.218 31.823 -0.027 0.000 0.666 128 V HN 0.541 nan 8.190 nan 0.000 0.456 129 E N -0.241 119.952 120.200 -0.011 0.000 2.072 129 E HA -0.141 4.209 4.350 0.001 0.000 0.190 129 E C 2.238 178.835 176.600 -0.006 0.000 0.982 129 E CA 0.777 57.173 56.400 -0.007 0.000 0.803 129 E CB -0.249 29.449 29.700 -0.004 0.000 0.755 129 E HN 0.624 nan 8.360 nan 0.000 0.453 130 E N 0.927 121.124 120.200 -0.005 0.000 2.118 130 E HA -0.128 4.223 4.350 0.001 0.000 0.195 130 E C 2.331 178.929 176.600 -0.003 0.000 0.992 130 E CA 0.578 56.977 56.400 -0.002 0.000 0.804 130 E CB -0.217 29.482 29.700 -0.001 0.000 0.741 130 E HN 0.276 nan 8.360 nan 0.000 0.458 131 L N 0.487 121.706 121.223 -0.008 0.000 2.362 131 L HA -0.152 4.189 4.340 0.001 0.000 0.219 131 L C 2.167 179.031 176.870 -0.009 0.000 1.134 131 L CA 0.856 55.690 54.840 -0.010 0.000 0.807 131 L CB -0.086 41.962 42.059 -0.018 0.000 0.927 131 L HN -0.015 nan 8.230 nan 0.000 0.447 132 K N -0.035 120.360 120.400 -0.009 0.000 2.098 132 K HA 0.069 4.390 4.320 0.001 0.000 0.203 132 K C 2.170 178.769 176.600 -0.002 0.000 1.051 132 K CA 1.025 57.309 56.287 -0.006 0.000 0.957 132 K CB -0.303 32.193 32.500 -0.006 0.000 0.738 132 K HN 0.148 nan 8.250 nan 0.000 0.447 133 A N 0.213 123.033 122.820 -0.001 0.000 2.019 133 A HA -0.095 4.226 4.320 0.001 0.000 0.219 133 A C 1.480 179.066 177.584 0.004 0.000 1.164 133 A CA 1.346 53.384 52.037 0.002 0.000 0.644 133 A CB -0.304 18.698 19.000 0.002 0.000 0.805 133 A HN 0.158 nan 8.150 nan 0.000 0.449 134 L N -0.494 120.731 121.223 0.004 0.000 2.628 134 L HA 0.228 4.568 4.340 0.001 0.000 0.229 134 L C 1.024 177.897 176.870 0.006 0.000 1.137 134 L CA 0.425 55.269 54.840 0.007 0.000 0.909 134 L CB 0.043 42.107 42.059 0.009 0.000 1.137 134 L HN 0.217 nan 8.230 nan 0.000 0.470 135 S N -0.130 115.572 115.700 0.003 0.000 2.554 135 S HA 0.589 5.059 4.470 0.001 0.000 0.278 135 S C -0.285 174.317 174.600 0.003 0.000 1.242 135 S CA -0.676 57.525 58.200 0.002 0.000 1.051 135 S CB 0.884 64.084 63.200 -0.001 0.000 0.986 135 S HN 0.047 nan 8.310 nan 0.000 0.502 136 V N 3.171 123.087 119.914 0.004 0.000 2.581 136 V HA 0.710 4.830 4.120 0.001 0.000 0.303 136 V C -2.746 173.350 176.094 0.002 0.000 1.041 136 V CA -2.713 59.589 62.300 0.004 0.000 0.907 136 V CB 0.777 32.603 31.823 0.005 0.000 0.994 136 V HN 0.638 nan 8.190 nan 0.000 0.442 137 P HA 0.119 nan 4.420 nan 0.000 0.269 137 P C -0.543 176.758 177.300 0.001 0.000 1.217 137 P CA -0.153 62.947 63.100 0.001 0.000 0.783 137 P CB 0.366 32.067 31.700 0.002 0.000 0.898 138 C N 2.009 121.309 119.300 0.000 0.000 2.239 138 C HA 0.461 4.922 4.460 0.001 0.000 0.325 138 C C 0.949 175.938 174.990 -0.001 0.000 1.231 138 C CA 0.344 59.361 59.018 -0.001 0.000 1.652 138 C CB -1.394 26.345 27.740 -0.001 0.000 2.284 138 C HN 0.528 nan 8.230 nan 0.000 0.499 139 S N 3.373 119.072 115.700 -0.002 0.000 2.820 139 S HA 0.233 4.703 4.470 0.001 0.000 0.265 139 S C -0.661 173.937 174.600 -0.003 0.000 1.043 139 S CA -0.286 57.913 58.200 -0.002 0.000 1.245 139 S CB -0.036 63.164 63.200 -0.001 0.000 1.187 139 S HN 0.975 nan 8.310 nan 0.000 0.673 140 D N -0.634 119.764 120.400 -0.004 0.000 2.648 140 D HA 0.194 4.835 4.640 0.001 0.000 0.244 140 D C -0.029 176.267 176.300 -0.006 0.000 1.244 140 D CA -0.396 53.602 54.000 -0.005 0.000 0.772 140 D CB 0.967 41.765 40.800 -0.004 0.000 1.379 140 D HN -0.143 nan 8.370 nan 0.000 0.428 141 S N 0.397 116.093 115.700 -0.007 0.000 2.383 141 S HA -0.205 4.265 4.470 0.001 0.000 0.229 141 S C 1.646 176.241 174.600 -0.009 0.000 1.030 141 S CA 1.474 59.669 58.200 -0.008 0.000 1.002 141 S CB -0.151 63.044 63.200 -0.008 0.000 0.829 141 S HN 0.573 nan 8.310 nan 0.000 0.467 142 K N 1.577 121.972 120.400 -0.008 0.000 1.984 142 K HA -0.032 4.288 4.320 0.001 0.000 0.209 142 K C 2.370 178.965 176.600 -0.008 0.000 1.046 142 K CA 1.185 57.467 56.287 -0.008 0.000 0.934 142 K CB -0.432 32.064 32.500 -0.007 0.000 0.717 142 K HN 0.294 nan 8.250 nan 0.000 0.438 143 A N 1.661 124.477 122.820 -0.007 0.000 1.902 143 A HA -0.141 4.180 4.320 0.001 0.000 0.217 143 A C 2.070 179.650 177.584 -0.007 0.000 1.181 143 A CA 1.324 53.357 52.037 -0.006 0.000 0.623 143 A CB -0.519 18.478 19.000 -0.004 0.000 0.818 143 A HN 0.318 nan 8.150 nan 0.000 0.443 144 I N 0.017 120.582 120.570 -0.008 0.000 2.142 144 I HA -0.256 3.914 4.170 0.001 0.000 0.240 144 I C 2.977 179.087 176.117 -0.012 0.000 1.078 144 I CA 1.608 62.902 61.300 -0.011 0.000 1.343 144 I CB -1.674 36.319 38.000 -0.012 0.000 1.046 144 I HN 0.367 nan 8.210 nan 0.000 0.405 145 A N 0.144 122.957 122.820 -0.012 0.000 1.933 145 A HA -0.282 4.038 4.320 0.001 0.000 0.218 145 A C 2.291 179.868 177.584 -0.012 0.000 1.175 145 A CA 2.027 54.056 52.037 -0.013 0.000 0.628 145 A CB -0.686 18.306 19.000 -0.013 0.000 0.814 145 A HN 0.486 nan 8.150 nan 0.000 0.444 146 Q N -0.008 119.785 119.800 -0.011 0.000 2.002 146 Q HA -0.137 4.204 4.340 0.001 0.000 0.204 146 Q C 1.832 177.827 176.000 -0.009 0.000 0.988 146 Q CA 2.612 58.408 55.803 -0.011 0.000 0.843 146 Q CB -0.604 28.128 28.738 -0.010 0.000 0.908 146 Q HN 0.318 nan 8.270 nan 0.000 0.420 147 V N 0.352 120.262 119.914 -0.007 0.000 2.515 147 V HA -0.143 3.977 4.120 0.001 0.000 0.250 147 V C 2.180 178.271 176.094 -0.004 0.000 1.058 147 V CA 1.647 63.945 62.300 -0.003 0.000 1.064 147 V CB -1.285 30.538 31.823 -0.000 0.000 0.675 147 V HN 0.618 nan 8.190 nan 0.000 0.461 148 G N 0.850 109.645 108.800 -0.008 0.000 2.446 148 G HA2 -0.310 3.651 3.960 0.001 0.000 0.217 148 G HA3 -0.310 3.651 3.960 0.001 0.000 0.217 148 G C 1.812 176.707 174.900 -0.009 0.000 1.168 148 G CA 1.817 46.911 45.100 -0.010 0.000 0.771 148 G HN 0.569 nan 8.290 nan 0.000 0.551 149 T N -0.379 114.169 114.554 -0.010 0.000 2.821 149 T HA 0.029 4.380 4.350 0.001 0.000 0.267 149 T C 2.399 177.094 174.700 -0.009 0.000 1.046 149 T CA 1.128 63.221 62.100 -0.011 0.000 1.139 149 T CB -0.224 68.636 68.868 -0.014 0.000 0.871 149 T HN 0.252 nan 8.240 nan 0.000 0.454 150 I N 1.231 121.796 120.570 -0.007 0.000 2.193 150 I HA -0.096 4.075 4.170 0.001 0.000 0.240 150 I C 3.002 179.120 176.117 0.001 0.000 1.084 150 I CA 1.348 62.645 61.300 -0.005 0.000 1.365 150 I CB -0.419 37.579 38.000 -0.004 0.000 1.064 150 I HN 0.314 nan 8.210 nan 0.000 0.410 151 S N 0.443 116.146 115.700 0.005 0.000 2.481 151 S HA 0.020 4.491 4.470 0.001 0.000 0.231 151 S C 1.814 176.420 174.600 0.010 0.000 0.996 151 S CA 0.963 59.170 58.200 0.012 0.000 0.942 151 S CB -0.107 63.104 63.200 0.018 0.000 0.768 151 S HN 0.431 nan 8.310 nan 0.000 0.520 152 A N 1.063 123.885 122.820 0.004 0.000 2.278 152 A HA 0.315 4.635 4.320 0.001 0.000 0.212 152 A C 0.987 178.571 177.584 -0.000 0.000 1.213 152 A CA 0.272 52.310 52.037 0.002 0.000 0.840 152 A CB -0.560 18.439 19.000 -0.002 0.000 0.866 152 A HN 0.690 nan 8.150 nan 0.000 0.489 153 N N -1.676 117.023 118.700 -0.001 0.000 2.850 153 N HA -0.219 4.522 4.740 0.001 0.000 0.249 153 N C 0.069 175.574 175.510 -0.008 0.000 1.060 153 N CA 0.984 54.033 53.050 -0.003 0.000 0.825 153 N CB -0.949 37.538 38.487 0.000 0.000 1.132 153 N HN 0.435 nan 8.380 nan 0.000 0.564 154 S N -1.310 114.384 115.700 -0.011 0.000 2.066 154 S HA -0.103 4.368 4.470 0.001 0.000 0.234 154 S C -0.662 173.929 174.600 -0.014 0.000 1.363 154 S CA 0.119 58.310 58.200 -0.015 0.000 1.043 154 S CB -0.581 62.608 63.200 -0.019 0.000 1.319 154 S HN 0.502 nan 8.310 nan 0.000 0.645 155 D N 2.351 122.745 120.400 -0.011 0.000 2.346 155 D HA 0.114 4.755 4.640 0.001 0.000 0.260 155 D C 1.062 177.354 176.300 -0.012 0.000 1.252 155 D CA 0.362 54.356 54.000 -0.011 0.000 0.895 155 D CB 0.607 41.402 40.800 -0.008 0.000 1.097 155 D HN 0.471 nan 8.370 nan 0.000 0.489 156 E N 1.522 121.714 120.200 -0.013 0.000 2.204 156 E HA -0.172 4.178 4.350 0.001 0.000 0.195 156 E C 1.883 178.475 176.600 -0.013 0.000 0.990 156 E CA 1.332 57.723 56.400 -0.014 0.000 0.821 156 E CB 0.125 29.816 29.700 -0.015 0.000 0.750 156 E HN 0.634 nan 8.360 nan 0.000 0.477 157 T N -1.228 113.319 114.554 -0.012 0.000 2.851 157 T HA -0.058 4.292 4.350 0.001 0.000 0.262 157 T C 2.167 176.859 174.700 -0.013 0.000 1.043 157 T CA 0.765 62.858 62.100 -0.012 0.000 1.140 157 T CB -0.497 68.365 68.868 -0.011 0.000 0.872 157 T HN -0.031 nan 8.240 nan 0.000 0.446 158 V N 2.146 122.053 119.914 -0.012 0.000 2.392 158 V HA -0.019 4.101 4.120 0.001 0.000 0.249 158 V C 3.094 179.179 176.094 -0.016 0.000 1.059 158 V CA 1.816 64.107 62.300 -0.014 0.000 1.051 158 V CB -1.592 30.224 31.823 -0.011 0.000 0.658 158 V HN 0.702 nan 8.190 nan 0.000 0.455 159 G N -0.329 108.462 108.800 -0.014 0.000 2.459 159 G HA2 -0.344 3.616 3.960 0.001 0.000 0.217 159 G HA3 -0.344 3.616 3.960 0.001 0.000 0.217 159 G C 1.653 176.544 174.900 -0.016 0.000 1.183 159 G CA 1.228 46.320 45.100 -0.015 0.000 0.776 159 G HN 0.493 nan 8.290 nan 0.000 0.552 160 K N -0.549 119.842 120.400 -0.015 0.000 2.057 160 K HA 0.014 4.334 4.320 0.001 0.000 0.206 160 K C 2.528 179.118 176.600 -0.016 0.000 1.050 160 K CA 0.703 56.981 56.287 -0.015 0.000 0.935 160 K CB -0.220 32.272 32.500 -0.013 0.000 0.715 160 K HN 0.204 nan 8.250 nan 0.000 0.439 161 L N 1.270 122.482 121.223 -0.017 0.000 2.012 161 L HA -0.182 4.159 4.340 0.001 0.000 0.210 161 L C 2.124 178.980 176.870 -0.024 0.000 1.073 161 L CA 1.618 56.446 54.840 -0.020 0.000 0.748 161 L CB -0.359 41.689 42.059 -0.020 0.000 0.891 161 L HN 0.234 nan 8.230 nan 0.000 0.431 162 I N -1.386 119.168 120.570 -0.026 0.000 2.202 162 I HA -0.266 3.905 4.170 0.001 0.000 0.242 162 I C 2.575 178.676 176.117 -0.026 0.000 1.091 162 I CA 1.054 62.335 61.300 -0.031 0.000 1.368 162 I CB -0.581 37.399 38.000 -0.033 0.000 1.058 162 I HN 0.218 nan 8.210 nan 0.000 0.410 163 A N 0.465 123.272 122.820 -0.021 0.000 1.883 163 A HA -0.215 4.106 4.320 0.001 0.000 0.217 163 A C 2.206 179.780 177.584 -0.017 0.000 1.186 163 A CA 1.570 53.596 52.037 -0.018 0.000 0.624 163 A CB -0.538 18.453 19.000 -0.015 0.000 0.822 163 A HN 0.356 nan 8.150 nan 0.000 0.444 164 E N -0.365 119.825 120.200 -0.017 0.000 2.333 164 E HA -0.084 4.267 4.350 0.001 0.000 0.198 164 E C 1.947 178.537 176.600 -0.017 0.000 1.007 164 E CA 0.908 57.299 56.400 -0.015 0.000 0.845 164 E CB -0.221 29.470 29.700 -0.015 0.000 0.766 164 E HN 0.611 nan 8.360 nan 0.000 0.507 165 A N -0.316 122.492 122.820 -0.020 0.000 2.132 165 A HA 0.084 4.404 4.320 0.001 0.000 0.213 165 A C 1.952 179.524 177.584 -0.021 0.000 1.154 165 A CA 0.383 52.407 52.037 -0.022 0.000 0.753 165 A CB 0.098 19.081 19.000 -0.029 0.000 0.826 165 A HN 0.098 nan 8.150 nan 0.000 0.469 166 M N -2.183 117.405 119.600 -0.019 0.000 2.740 166 M HA 0.076 4.557 4.480 0.001 0.000 0.253 166 M C 1.539 177.831 176.300 -0.013 0.000 1.341 166 M CA 0.889 56.179 55.300 -0.017 0.000 1.176 166 M CB -0.102 32.487 32.600 -0.018 0.000 1.310 166 M HN 0.381 nan 8.290 nan 0.000 0.531 167 D N 1.615 122.007 120.400 -0.013 0.000 2.228 167 D HA -0.167 4.473 4.640 0.001 0.000 0.203 167 D C 1.392 177.686 176.300 -0.009 0.000 0.988 167 D CA 1.284 55.278 54.000 -0.010 0.000 0.864 167 D CB 0.213 41.006 40.800 -0.011 0.000 0.928 167 D HN 0.232 nan 8.370 nan 0.000 0.469 168 K N -0.844 119.550 120.400 -0.010 0.000 2.444 168 K HA 0.115 4.436 4.320 0.001 0.000 0.193 168 K C 0.775 177.369 176.600 -0.008 0.000 1.024 168 K CA 0.075 56.356 56.287 -0.009 0.000 1.077 168 K CB 1.377 33.871 32.500 -0.010 0.000 0.833 168 K HN 0.100 nan 8.250 nan 0.000 0.517 169 V N -1.242 118.667 119.914 -0.009 0.000 3.289 169 V HA 0.189 4.309 4.120 0.001 0.000 0.262 169 V C 0.234 176.324 176.094 -0.007 0.000 1.707 169 V CA 0.693 62.989 62.300 -0.008 0.000 1.024 169 V CB 0.761 32.578 31.823 -0.009 0.000 0.871 169 V HN 0.471 nan 8.190 nan 0.000 0.397 170 G N 1.197 109.993 108.800 -0.007 0.000 2.615 170 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 170 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 170 G C 0.285 175.181 174.900 -0.007 0.000 1.339 170 G CA 0.344 45.440 45.100 -0.006 0.000 0.884 170 G HN 0.389 nan 8.290 nan 0.000 0.559 171 K N 0.348 120.746 120.400 -0.005 0.000 1.987 171 K HA -0.077 4.243 4.320 0.001 0.000 0.216 171 K C 0.897 177.495 176.600 -0.005 0.000 1.051 171 K CA 1.895 58.180 56.287 -0.004 0.000 0.942 171 K CB -0.130 32.369 32.500 -0.002 0.000 0.722 171 K HN 0.347 nan 8.250 nan 0.000 0.444 172 E N 0.494 120.692 120.200 -0.003 0.000 2.282 172 E HA 0.226 4.576 4.350 0.001 0.000 0.247 172 E C -0.555 176.043 176.600 -0.004 0.000 1.113 172 E CA -0.162 56.237 56.400 -0.002 0.000 1.095 172 E CB 0.927 30.628 29.700 0.000 0.000 1.328 172 E HN 0.339 nan 8.360 nan 0.000 0.463 173 G N -0.195 108.601 108.800 -0.006 0.000 2.511 173 G HA2 0.532 4.492 3.960 0.001 0.000 0.318 173 G HA3 0.532 4.492 3.960 0.001 0.000 0.318 173 G C -0.677 174.217 174.900 -0.011 0.000 1.210 173 G CA -0.585 44.510 45.100 -0.008 0.000 0.969 173 G HN 0.190 nan 8.290 nan 0.000 0.484 174 V N 0.233 120.140 119.914 -0.011 0.000 2.644 174 V HA 0.575 4.696 4.120 0.001 0.000 0.295 174 V C -0.339 175.741 176.094 -0.024 0.000 1.053 174 V CA -0.274 62.016 62.300 -0.016 0.000 0.987 174 V CB 1.199 33.015 31.823 -0.012 0.000 1.006 174 V HN 0.526 nan 8.190 nan 0.000 0.472 175 I N 2.790 123.340 120.570 -0.034 0.000 2.722 175 I HA 0.625 4.796 4.170 0.001 0.000 0.295 175 I C -0.137 175.950 176.117 -0.050 0.000 1.161 175 I CA -0.187 61.088 61.300 -0.042 0.000 1.032 175 I CB 2.534 40.504 38.000 -0.051 0.000 1.244 175 I HN 0.764 nan 8.210 nan 0.000 0.421 176 T N 2.141 116.668 114.554 -0.045 0.000 2.900 176 T HA 0.814 5.165 4.350 0.001 0.000 0.295 176 T C -0.718 173.956 174.700 -0.043 0.000 1.044 176 T CA -0.781 61.291 62.100 -0.046 0.000 0.995 176 T CB 1.515 70.365 68.868 -0.032 0.000 1.072 176 T HN 0.270 nan 8.240 nan 0.000 0.473 177 V N 2.421 122.307 119.914 -0.046 0.000 2.546 177 V HA 0.488 4.609 4.120 0.001 0.000 0.284 177 V C 0.378 176.460 176.094 -0.021 0.000 1.050 177 V CA -0.589 61.690 62.300 -0.035 0.000 0.981 177 V CB 1.013 32.813 31.823 -0.038 0.000 0.990 177 V HN 0.950 nan 8.190 nan 0.000 0.474 178 E N 1.776 121.966 120.200 -0.017 0.000 2.187 178 E HA 0.311 4.661 4.350 0.001 0.000 0.268 178 E C -1.224 175.371 176.600 -0.009 0.000 0.896 178 E CA -0.803 55.589 56.400 -0.013 0.000 0.766 178 E CB 1.717 31.408 29.700 -0.014 0.000 1.142 178 E HN 0.755 nan 8.360 nan 0.000 0.408 179 D N 1.926 122.322 120.400 -0.006 0.000 2.451 179 D HA 0.137 4.777 4.640 0.001 0.000 0.254 179 D C 0.308 176.604 176.300 -0.007 0.000 1.204 179 D CA 0.643 54.640 54.000 -0.005 0.000 0.896 179 D CB 0.794 41.592 40.800 -0.003 0.000 1.136 179 D HN 0.439 nan 8.370 nan 0.000 0.499 180 G N 0.724 109.520 108.800 -0.007 0.000 2.971 180 G HA2 0.412 4.373 3.960 0.001 0.000 0.235 180 G HA3 0.412 4.373 3.960 0.001 0.000 0.235 180 G C 0.928 175.823 174.900 -0.008 0.000 1.351 180 G CA -0.196 44.899 45.100 -0.009 0.000 1.039 180 G HN 0.437 nan 8.290 nan 0.000 0.563 181 T N -2.720 111.829 114.554 -0.008 0.000 2.988 181 T HA 0.431 4.782 4.350 0.001 0.000 0.240 181 T C 1.152 175.848 174.700 -0.007 0.000 1.014 181 T CA 0.920 63.015 62.100 -0.008 0.000 1.155 181 T CB 0.042 68.905 68.868 -0.009 0.000 0.872 181 T HN 0.929 nan 8.240 nan 0.000 0.440 182 G N 0.391 109.187 108.800 -0.006 0.000 3.222 182 G HA2 0.546 4.507 3.960 0.001 0.000 0.263 182 G HA3 0.546 4.507 3.960 0.001 0.000 0.263 182 G C 0.081 174.977 174.900 -0.005 0.000 1.312 182 G CA -0.428 44.669 45.100 -0.006 0.000 0.934 182 G HN 0.195 nan 8.290 nan 0.000 0.577 183 L N -0.934 120.287 121.223 -0.005 0.000 2.201 183 L HA 0.230 4.571 4.340 0.001 0.000 0.212 183 L C 1.021 177.887 176.870 -0.005 0.000 1.105 183 L CA 1.437 56.274 54.840 -0.005 0.000 0.775 183 L CB -0.300 41.757 42.059 -0.004 0.000 0.913 183 L HN 0.340 nan 8.230 nan 0.000 0.440 184 Q N 0.188 119.985 119.800 -0.006 0.000 2.297 184 Q HA 0.243 4.584 4.340 0.001 0.000 0.268 184 Q C -0.873 175.123 176.000 -0.007 0.000 1.045 184 Q CA -0.693 55.106 55.803 -0.007 0.000 0.861 184 Q CB 1.465 30.199 28.738 -0.007 0.000 1.344 184 Q HN 0.264 nan 8.270 nan 0.000 0.452 185 D N 1.289 121.684 120.400 -0.008 0.000 2.344 185 D HA 0.172 4.813 4.640 0.001 0.000 0.244 185 D C -0.357 175.937 176.300 -0.010 0.000 1.134 185 D CA 0.276 54.270 54.000 -0.009 0.000 0.930 185 D CB 1.117 41.911 40.800 -0.010 0.000 1.175 185 D HN 0.311 nan 8.370 nan 0.000 0.437 186 E N 0.235 120.429 120.200 -0.011 0.000 2.343 186 E HA 0.574 4.924 4.350 0.001 0.000 0.270 186 E C -1.017 175.575 176.600 -0.013 0.000 0.895 186 E CA -0.771 55.623 56.400 -0.011 0.000 0.767 186 E CB 2.677 32.371 29.700 -0.011 0.000 1.248 186 E HN 0.174 nan 8.360 nan 0.000 0.440 187 L N 2.778 123.994 121.223 -0.013 0.000 2.482 187 L HA 0.382 4.722 4.340 0.001 0.000 0.269 187 L C -1.772 175.090 176.870 -0.014 0.000 0.967 187 L CA -0.513 54.318 54.840 -0.014 0.000 0.851 187 L CB 1.207 43.257 42.059 -0.015 0.000 1.242 187 L HN 0.498 nan 8.230 nan 0.000 0.404 188 D N 3.775 124.167 120.400 -0.014 0.000 2.350 188 D HA 0.628 5.268 4.640 0.001 0.000 0.238 188 D C -0.724 175.568 176.300 -0.014 0.000 0.989 188 D CA -0.204 53.788 54.000 -0.013 0.000 0.921 188 D CB 2.883 43.675 40.800 -0.013 0.000 1.297 188 D HN 0.270 nan 8.370 nan 0.000 0.490 189 V N -1.619 118.288 119.914 -0.012 0.000 2.656 189 V HA 0.901 5.022 4.120 0.001 0.000 0.307 189 V C -0.328 175.760 176.094 -0.010 0.000 1.051 189 V CA -0.657 61.636 62.300 -0.011 0.000 0.893 189 V CB 1.663 33.480 31.823 -0.011 0.000 0.999 189 V HN 0.418 nan 8.190 nan 0.000 0.426 190 V N 1.536 121.444 119.914 -0.010 0.000 3.301 190 V HA 0.489 4.609 4.120 0.001 0.000 0.291 190 V C -0.960 175.131 176.094 -0.006 0.000 1.549 190 V CA -0.562 61.733 62.300 -0.009 0.000 1.061 190 V CB 2.422 34.238 31.823 -0.011 0.000 1.154 190 V HN 1.123 nan 8.190 nan 0.000 0.466 191 E N 1.330 121.527 120.200 -0.004 0.000 2.422 191 E HA 0.568 4.918 4.350 0.001 0.000 0.260 191 E C 0.228 176.830 176.600 0.004 0.000 1.108 191 E CA 0.733 57.133 56.400 -0.000 0.000 0.943 191 E CB 0.908 30.607 29.700 -0.000 0.000 0.961 191 E HN 1.310 nan 8.360 nan 0.000 0.443 192 G N -0.292 108.515 108.800 0.012 0.000 2.317 192 G HA2 0.400 4.361 3.960 0.001 0.000 0.293 192 G HA3 0.400 4.361 3.960 0.001 0.000 0.293 192 G C -1.498 173.425 174.900 0.039 0.000 1.287 192 G CA -0.545 44.568 45.100 0.022 0.000 0.850 192 G HN 0.434 nan 8.290 nan 0.000 0.515 193 M N 0.083 119.720 119.600 0.062 0.000 2.471 193 M HA 0.633 5.113 4.480 0.001 0.000 0.284 193 M C -1.931 174.442 176.300 0.121 0.000 1.203 193 M CA -0.625 54.736 55.300 0.103 0.000 0.915 193 M CB 2.381 35.063 32.600 0.137 0.000 1.734 193 M HN 0.764 nan 8.290 nan 0.000 0.485 194 Q N 4.089 123.961 119.800 0.120 0.000 2.337 194 Q HA 0.727 5.068 4.340 0.001 0.000 0.270 194 Q C -2.162 173.935 176.000 0.162 0.000 1.043 194 Q CA -0.665 55.162 55.803 0.039 0.000 0.794 194 Q CB 1.795 30.529 28.738 -0.005 0.000 1.281 194 Q HN 0.612 nan 8.270 nan 0.000 0.446 195 F N -0.102 119.852 119.950 0.006 0.000 2.591 195 F HA 0.480 5.008 4.527 0.001 0.000 0.309 195 F C -1.023 174.782 175.800 0.009 0.000 1.098 195 F CA -1.153 56.850 58.000 0.006 0.000 0.937 195 F CB 1.334 40.337 39.000 0.006 0.000 1.250 195 F HN 0.382 nan 8.300 nan 0.000 0.447 196 D N 2.095 122.594 120.400 0.165 0.000 2.845 196 D HA 0.316 4.956 4.640 0.001 0.000 0.235 196 D C -0.553 175.795 176.300 0.080 0.000 1.158 196 D CA 0.070 54.109 54.000 0.065 0.000 0.990 196 D CB 0.083 40.920 40.800 0.062 0.000 1.094 196 D HN 0.278 nan 8.370 nan 0.000 0.486 197 R N 0.148 120.689 120.500 0.068 0.000 2.628 197 R HA 0.665 5.005 4.340 0.001 0.000 0.288 197 R C 0.236 176.515 176.300 -0.035 0.000 0.980 197 R CA -0.704 55.443 56.100 0.078 0.000 0.891 197 R CB 1.735 32.187 30.300 0.253 0.000 1.188 197 R HN 0.223 nan 8.270 nan 0.000 0.450 198 G N 1.085 109.835 108.800 -0.083 0.000 2.543 198 G HA2 0.294 4.255 3.960 0.001 0.000 0.290 198 G HA3 0.294 4.255 3.960 0.001 0.000 0.290 198 G C -0.824 174.018 174.900 -0.097 0.000 1.310 198 G CA -0.464 44.501 45.100 -0.226 0.000 1.025 198 G HN 0.539 nan 8.290 nan 0.000 0.502 199 Y N -1.478 118.873 120.300 0.085 0.000 2.550 199 Y HA 0.314 4.864 4.550 0.001 0.000 0.343 199 Y C 1.168 177.171 175.900 0.173 0.000 1.245 199 Y CA -1.084 57.118 58.100 0.170 0.000 1.462 199 Y CB 0.412 39.008 38.460 0.227 0.000 1.340 199 Y HN 0.178 nan 8.280 nan 0.000 0.604 200 L N 1.436 122.953 121.223 0.489 0.000 2.599 200 L HA 0.124 4.464 4.340 0.001 0.000 0.230 200 L C 0.587 177.574 176.870 0.195 0.000 1.141 200 L CA 0.722 55.766 54.840 0.339 0.000 0.877 200 L CB -0.072 42.179 42.059 0.320 0.000 1.009 200 L HN 0.767 nan 8.230 nan 0.000 0.447 201 S N -1.749 113.983 115.700 0.055 0.000 2.566 201 S HA 0.359 4.829 4.470 0.001 0.000 0.273 201 S C -2.220 172.060 174.600 -0.534 0.000 1.157 201 S CA -0.982 56.993 58.200 -0.374 0.000 0.938 201 S CB 1.680 64.264 63.200 -1.025 0.000 1.087 201 S HN -0.248 nan 8.310 nan 0.000 0.474 202 P HA -0.010 nan 4.420 nan 0.000 0.220 202 P C 0.432 177.287 177.300 -0.742 0.000 1.148 202 P CA 1.045 63.663 63.100 -0.805 0.000 0.803 202 P CB -0.084 31.292 31.700 -0.540 0.000 0.782 203 Y N -2.541 117.500 120.300 -0.432 0.000 2.632 203 Y HA -0.006 4.545 4.550 0.001 0.000 0.301 203 Y C 1.554 177.330 175.900 -0.207 0.000 1.172 203 Y CA 0.284 58.205 58.100 -0.298 0.000 1.328 203 Y CB -0.976 37.328 38.460 -0.260 0.000 1.016 203 Y HN -0.101 nan 8.280 nan 0.000 0.529 204 F N -0.258 119.621 119.950 -0.119 0.000 2.502 204 F HA 0.009 4.536 4.527 0.001 0.000 0.298 204 F C 1.014 176.725 175.800 -0.148 0.000 1.111 204 F CA -0.502 57.431 58.000 -0.110 0.000 1.445 204 F CB -0.869 38.068 39.000 -0.105 0.000 1.081 204 F HN -0.111 nan 8.300 nan 0.000 0.558 205 I N 2.827 123.342 120.570 -0.092 0.000 2.664 205 I HA -0.142 4.029 4.170 0.001 0.000 0.284 205 I C 0.942 177.038 176.117 -0.035 0.000 1.154 205 I CA 0.205 61.443 61.300 -0.103 0.000 1.402 205 I CB 0.208 38.086 38.000 -0.203 0.000 1.395 205 I HN 0.157 nan 8.210 nan 0.000 0.545 206 N N 5.508 124.206 118.700 -0.003 0.000 2.250 206 N HA -0.002 4.738 4.740 0.001 0.000 0.190 206 N C 0.072 175.584 175.510 0.004 0.000 1.116 206 N CA 0.106 53.160 53.050 0.005 0.000 0.881 206 N CB 0.400 38.897 38.487 0.017 0.000 1.006 206 N HN 0.256 nan 8.380 nan 0.000 0.491 207 K N 1.773 122.177 120.400 0.006 0.000 2.655 207 K HA 0.302 4.622 4.320 0.001 0.000 0.213 207 K C -1.897 174.705 176.600 0.003 0.000 1.126 207 K CA -1.666 54.628 56.287 0.012 0.000 1.076 207 K CB 1.793 34.310 32.500 0.029 0.000 1.644 207 K HN 0.147 nan 8.250 nan 0.000 0.523 208 P HA -0.093 nan 4.420 nan 0.000 0.220 208 P C 0.202 177.495 177.300 -0.011 0.000 1.152 208 P CA 0.941 64.026 63.100 -0.026 0.000 0.812 208 P CB 0.421 32.097 31.700 -0.039 0.000 0.792 209 E N -0.213 119.987 120.200 0.001 0.000 2.322 209 E HA 0.084 4.434 4.350 0.001 0.000 0.195 209 E C 0.580 177.191 176.600 0.018 0.000 1.198 209 E CA 0.377 56.782 56.400 0.008 0.000 1.132 209 E CB -0.500 29.208 29.700 0.012 0.000 1.213 209 E HN 0.282 nan 8.360 nan 0.000 0.450 210 T N -1.819 112.746 114.554 0.019 0.000 3.719 210 T HA 0.281 4.631 4.350 0.001 0.000 0.285 210 T C 0.863 175.565 174.700 0.003 0.000 0.963 210 T CA 0.195 62.317 62.100 0.036 0.000 1.154 210 T CB 0.790 69.699 68.868 0.069 0.000 1.123 210 T HN 0.220 nan 8.240 nan 0.000 0.448 211 G N 1.569 110.372 108.800 0.004 0.000 2.247 211 G HA2 0.406 4.366 3.960 0.001 0.000 0.111 211 G HA3 0.406 4.366 3.960 0.001 0.000 0.111 211 G C -0.227 174.700 174.900 0.045 0.000 1.045 211 G CA -0.001 45.098 45.100 -0.002 0.000 0.715 211 G HN 0.960 nan 8.290 nan 0.000 0.485 212 A N -0.976 121.881 122.820 0.061 0.000 2.566 212 A HA 0.965 5.286 4.320 0.001 0.000 0.292 212 A C -0.559 177.070 177.584 0.075 0.000 1.112 212 A CA -0.516 51.583 52.037 0.104 0.000 0.707 212 A CB 2.106 21.173 19.000 0.112 0.000 1.302 212 A HN 1.307 nan 8.150 nan 0.000 0.409 213 V N 0.907 120.884 119.914 0.106 0.000 2.581 213 V HA 0.565 4.686 4.120 0.001 0.000 0.303 213 V C -0.221 175.905 176.094 0.053 0.000 1.041 213 V CA -0.402 61.942 62.300 0.073 0.000 0.907 213 V CB 1.442 33.333 31.823 0.114 0.000 0.994 213 V HN 0.935 nan 8.190 nan 0.000 0.442 214 E N 3.745 123.960 120.200 0.025 0.000 2.317 214 E HA 0.740 5.091 4.350 0.001 0.000 0.270 214 E C -1.586 175.008 176.600 -0.011 0.000 0.885 214 E CA -0.763 55.641 56.400 0.008 0.000 0.760 214 E CB 2.960 32.665 29.700 0.008 0.000 1.227 214 E HN 0.451 nan 8.360 nan 0.000 0.434 215 L N 1.572 122.782 121.223 -0.022 0.000 2.401 215 L HA 0.469 4.809 4.340 0.001 0.000 0.266 215 L C -0.541 176.314 176.870 -0.024 0.000 0.991 215 L CA -0.752 54.072 54.840 -0.028 0.000 0.818 215 L CB 2.172 44.204 42.059 -0.046 0.000 1.321 215 L HN 0.439 nan 8.230 nan 0.000 0.413 216 E N 0.611 120.797 120.200 -0.023 0.000 2.212 216 E HA 0.351 4.701 4.350 0.001 0.000 0.268 216 E C 0.044 176.622 176.600 -0.037 0.000 0.902 216 E CA -0.095 56.288 56.400 -0.027 0.000 0.779 216 E CB 1.860 31.546 29.700 -0.023 0.000 1.172 216 E HN 0.724 nan 8.360 nan 0.000 0.409 217 S N -0.810 114.859 115.700 -0.052 0.000 3.382 217 S HA -0.127 4.343 4.470 0.001 0.000 0.293 217 S C -2.338 172.197 174.600 -0.107 0.000 1.262 217 S CA 0.143 58.294 58.200 -0.082 0.000 0.969 217 S CB -2.333 60.821 63.200 -0.076 0.000 1.136 217 S HN 0.388 nan 8.310 nan 0.000 0.635 218 P HA 0.505 nan 4.420 nan 0.000 0.272 218 P C 0.435 177.686 177.300 -0.083 0.000 1.223 218 P CA -0.396 62.683 63.100 -0.035 0.000 0.784 218 P CB 0.180 31.881 31.700 0.001 0.000 0.923 219 F N 1.046 120.989 119.950 -0.011 0.000 2.496 219 F HA 0.207 4.734 4.527 0.001 0.000 0.344 219 F C 1.015 176.812 175.800 -0.007 0.000 1.155 219 F CA 0.531 58.527 58.000 -0.007 0.000 1.302 219 F CB 0.231 39.227 39.000 -0.007 0.000 1.159 219 F HN 0.054 nan 8.300 nan 0.000 0.595 220 I N 4.321 125.026 120.570 0.225 0.000 2.447 220 I HA 0.207 4.377 4.170 0.001 0.000 0.287 220 I C -1.223 174.956 176.117 0.104 0.000 1.023 220 I CA -0.771 60.602 61.300 0.123 0.000 1.083 220 I CB 1.789 39.840 38.000 0.085 0.000 1.245 220 I HN 0.251 nan 8.210 nan 0.000 0.434 221 L N 7.915 129.180 121.223 0.069 0.000 2.272 221 L HA 0.544 4.884 4.340 0.001 0.000 0.289 221 L C -1.042 175.847 176.870 0.032 0.000 1.032 221 L CA -0.435 54.430 54.840 0.041 0.000 0.810 221 L CB 1.291 43.366 42.059 0.027 0.000 1.205 221 L HN 0.561 nan 8.230 nan 0.000 0.422 222 L N 5.884 127.118 121.223 0.019 0.000 2.301 222 L HA 0.542 4.882 4.340 0.001 0.000 0.278 222 L C 0.060 176.929 176.870 -0.001 0.000 1.022 222 L CA -0.380 54.462 54.840 0.004 0.000 0.854 222 L CB 1.443 43.500 42.059 -0.004 0.000 1.226 222 L HN 0.702 nan 8.230 nan 0.000 0.429 223 A N 1.266 124.087 122.820 0.000 0.000 2.318 223 A HA 0.322 4.643 4.320 0.001 0.000 0.324 223 A C 0.188 177.770 177.584 -0.003 0.000 1.170 223 A CA -0.503 51.535 52.037 0.002 0.000 0.810 223 A CB 0.980 19.988 19.000 0.012 0.000 1.198 223 A HN 0.699 nan 8.150 nan 0.000 0.484 224 D N 1.319 121.716 120.400 -0.005 0.000 2.346 224 D HA 0.089 4.729 4.640 0.001 0.000 0.248 224 D C 0.519 176.821 176.300 0.004 0.000 1.173 224 D CA 0.726 54.722 54.000 -0.006 0.000 0.878 224 D CB -0.340 40.455 40.800 -0.008 0.000 0.919 224 D HN 0.672 nan 8.370 nan 0.000 0.513 225 K N -2.114 118.293 120.400 0.011 0.000 2.454 225 K HA 0.471 4.791 4.320 0.001 0.000 0.279 225 K C -1.128 175.488 176.600 0.027 0.000 1.020 225 K CA -1.143 55.155 56.287 0.019 0.000 0.850 225 K CB 0.708 33.218 32.500 0.017 0.000 1.529 225 K HN -0.345 nan 8.250 nan 0.000 0.390 226 K N 1.103 121.522 120.400 0.031 0.000 2.172 226 K HA 0.360 4.681 4.320 0.001 0.000 0.276 226 K C -0.300 176.320 176.600 0.034 0.000 1.013 226 K CA -0.547 55.762 56.287 0.037 0.000 0.913 226 K CB 0.589 33.112 32.500 0.038 0.000 1.055 226 K HN 0.380 nan 8.250 nan 0.000 0.461 227 I N 2.280 122.874 120.570 0.040 0.000 2.519 227 I HA 0.077 4.248 4.170 0.001 0.000 0.287 227 I C 1.121 177.259 176.117 0.035 0.000 1.047 227 I CA 0.336 61.658 61.300 0.036 0.000 1.381 227 I CB 0.754 38.780 38.000 0.044 0.000 1.417 227 I HN 0.867 nan 8.210 nan 0.000 0.540 228 S N 4.857 120.573 115.700 0.027 0.000 3.385 228 S HA 0.153 4.624 4.470 0.001 0.000 0.176 228 S C 0.331 174.943 174.600 0.020 0.000 0.851 228 S CA -0.464 57.750 58.200 0.023 0.000 1.039 228 S CB 0.292 63.504 63.200 0.019 0.000 1.241 228 S HN 0.692 nan 8.310 nan 0.000 0.859 229 N N 0.991 119.700 118.700 0.015 0.000 2.499 229 N HA 0.188 4.928 4.740 0.001 0.000 0.281 229 N C 0.968 176.485 175.510 0.011 0.000 1.098 229 N CA -0.166 52.891 53.050 0.012 0.000 0.979 229 N CB 1.117 39.609 38.487 0.008 0.000 1.121 229 N HN 0.461 nan 8.380 nan 0.000 0.466 230 I N 2.502 123.079 120.570 0.011 0.000 2.657 230 I HA -0.176 3.995 4.170 0.001 0.000 0.261 230 I C 2.321 178.442 176.117 0.005 0.000 1.212 230 I CA 0.900 62.206 61.300 0.010 0.000 1.453 230 I CB -0.803 37.203 38.000 0.009 0.000 1.092 230 I HN 0.665 nan 8.210 nan 0.000 0.452 231 R N 1.895 122.397 120.500 0.004 0.000 2.133 231 R HA -0.231 4.110 4.340 0.001 0.000 0.245 231 R C 1.072 177.372 176.300 -0.000 0.000 1.137 231 R CA 2.254 58.355 56.100 0.001 0.000 0.947 231 R CB -0.437 29.864 30.300 0.001 0.000 0.865 231 R HN 0.578 nan 8.270 nan 0.000 0.437 232 E N -0.350 119.852 120.200 0.003 0.000 2.545 232 E HA -0.018 4.333 4.350 0.001 0.000 0.271 232 E C 0.371 176.972 176.600 0.003 0.000 1.508 232 E CA 0.086 56.488 56.400 0.003 0.000 1.774 232 E CB 0.297 30.001 29.700 0.006 0.000 1.460 232 E HN 0.305 nan 8.360 nan 0.000 0.449 233 M N -1.483 118.116 119.600 -0.002 0.000 1.522 233 M HA 0.038 4.518 4.480 0.001 0.000 0.255 233 M C 0.650 176.943 176.300 -0.012 0.000 0.862 233 M CA 0.188 55.485 55.300 -0.005 0.000 0.959 233 M CB -0.025 32.578 32.600 0.006 0.000 1.945 233 M HN 0.251 nan 8.290 nan 0.000 0.749 234 L N 1.859 123.077 121.223 -0.008 0.000 2.026 234 L HA -0.248 4.092 4.340 0.001 0.000 0.231 234 L C -0.857 176.002 176.870 -0.019 0.000 1.095 234 L CA 2.728 57.562 54.840 -0.010 0.000 0.810 234 L CB -1.277 40.778 42.059 -0.007 0.000 0.909 234 L HN 0.304 nan 8.230 nan 0.000 0.444 235 P HA -0.097 nan 4.420 nan 0.000 0.218 235 P C 1.648 178.918 177.300 -0.049 0.000 1.152 235 P CA 1.963 65.044 63.100 -0.032 0.000 0.826 235 P CB -0.185 31.497 31.700 -0.030 0.000 0.790 236 V N -2.525 117.355 119.914 -0.057 0.000 2.548 236 V HA -0.127 3.993 4.120 0.001 0.000 0.249 236 V C 2.489 178.530 176.094 -0.088 0.000 1.055 236 V CA 1.028 63.274 62.300 -0.090 0.000 1.065 236 V CB -1.918 29.849 31.823 -0.094 0.000 0.681 236 V HN -0.084 nan 8.190 nan 0.000 0.462 237 L N 1.111 122.303 121.223 -0.051 0.000 2.017 237 L HA -0.124 4.217 4.340 0.001 0.000 0.208 237 L C 2.575 179.425 176.870 -0.033 0.000 1.073 237 L CA 2.532 57.353 54.840 -0.033 0.000 0.745 237 L CB -0.841 41.211 42.059 -0.012 0.000 0.894 237 L HN 0.518 nan 8.230 nan 0.000 0.432 238 E N -0.944 119.236 120.200 -0.032 0.000 2.150 238 E HA -0.186 4.164 4.350 0.001 0.000 0.193 238 E C 2.046 178.621 176.600 -0.042 0.000 0.985 238 E CA 0.862 57.245 56.400 -0.028 0.000 0.814 238 E CB -0.059 29.628 29.700 -0.022 0.000 0.752 238 E HN 0.636 nan 8.360 nan 0.000 0.466 239 A N 0.757 123.534 122.820 -0.071 0.000 1.898 239 A HA -0.141 4.179 4.320 0.001 0.000 0.216 239 A C 2.405 179.915 177.584 -0.124 0.000 1.181 239 A CA 1.590 53.566 52.037 -0.101 0.000 0.620 239 A CB -0.855 18.060 19.000 -0.141 0.000 0.819 239 A HN 0.291 nan 8.150 nan 0.000 0.442 240 V N -2.256 117.568 119.914 -0.150 0.000 2.490 240 V HA -0.065 4.055 4.120 0.001 0.000 0.250 240 V C 2.494 178.598 176.094 0.017 0.000 1.061 240 V CA 1.820 64.063 62.300 -0.096 0.000 1.064 240 V CB -1.516 30.271 31.823 -0.060 0.000 0.670 240 V HN 0.494 nan 8.190 nan 0.000 0.461 241 A N 0.724 123.544 122.820 0.001 0.000 1.873 241 A HA -0.127 4.193 4.320 0.001 0.000 0.215 241 A C 2.330 179.925 177.584 0.018 0.000 1.186 241 A CA 1.967 54.014 52.037 0.016 0.000 0.616 241 A CB -0.562 18.442 19.000 0.007 0.000 0.823 241 A HN 0.579 nan 8.150 nan 0.000 0.442 242 K N -0.266 120.137 120.400 0.005 0.000 2.209 242 K HA -0.004 4.317 4.320 0.001 0.000 0.204 242 K C 1.960 178.576 176.600 0.026 0.000 1.048 242 K CA 0.949 57.241 56.287 0.009 0.000 0.940 242 K CB -0.233 32.264 32.500 -0.005 0.000 0.729 242 K HN 0.440 nan 8.250 nan 0.000 0.451 243 A N 0.382 123.228 122.820 0.043 0.000 2.167 243 A HA 0.120 4.441 4.320 0.001 0.000 0.214 243 A C 1.530 179.182 177.584 0.113 0.000 1.151 243 A CA 0.986 53.085 52.037 0.102 0.000 0.735 243 A CB -0.375 18.734 19.000 0.181 0.000 0.802 243 A HN 0.414 nan 8.150 nan 0.000 0.467 244 G N -0.949 107.901 108.800 0.084 0.000 2.159 244 G HA2 -0.256 3.705 3.960 0.001 0.000 0.256 244 G HA3 -0.256 3.705 3.960 0.001 0.000 0.256 244 G C 0.169 175.114 174.900 0.074 0.000 0.977 244 G CA 0.677 45.816 45.100 0.064 0.000 0.652 244 G HN 0.592 nan 8.290 nan 0.000 0.531 245 K N 0.475 120.950 120.400 0.124 0.000 2.166 245 K HA 0.549 4.869 4.320 0.001 0.000 0.245 245 K C -2.367 174.301 176.600 0.114 0.000 0.967 245 K CA -2.053 54.304 56.287 0.117 0.000 0.863 245 K CB 1.580 34.175 32.500 0.157 0.000 1.107 245 K HN -0.021 nan 8.250 nan 0.000 0.436 246 P HA 0.068 nan 4.420 nan 0.000 0.271 246 P C -1.063 176.293 177.300 0.094 0.000 1.244 246 P CA -0.447 62.683 63.100 0.050 0.000 0.793 246 P CB 0.477 32.181 31.700 0.007 0.000 0.984 247 L N 1.471 122.725 121.223 0.052 0.000 2.464 247 L HA 0.451 4.792 4.340 0.001 0.000 0.266 247 L C -1.866 175.004 176.870 -0.001 0.000 0.965 247 L CA -0.778 54.103 54.840 0.068 0.000 0.833 247 L CB 1.757 43.853 42.059 0.063 0.000 1.296 247 L HN 0.264 nan 8.230 nan 0.000 0.405 248 L N 6.497 127.730 121.223 0.017 0.000 2.298 248 L HA 0.508 4.849 4.340 0.001 0.000 0.284 248 L C -0.632 176.252 176.870 0.023 0.000 1.013 248 L CA -0.425 54.407 54.840 -0.013 0.000 0.824 248 L CB 1.580 43.641 42.059 0.003 0.000 1.221 248 L HN 0.594 nan 8.230 nan 0.000 0.418 249 I N 6.340 126.919 120.570 0.014 0.000 2.352 249 I HA 0.263 4.434 4.170 0.001 0.000 0.290 249 I C 0.127 176.288 176.117 0.073 0.000 1.036 249 I CA -0.193 61.134 61.300 0.045 0.000 1.336 249 I CB 1.086 39.117 38.000 0.052 0.000 1.407 249 I HN 0.446 nan 8.210 nan 0.000 0.497 250 I N 6.818 127.429 120.570 0.069 0.000 2.347 250 I HA 0.522 4.693 4.170 0.001 0.000 0.283 250 I C 0.283 176.421 176.117 0.034 0.000 1.058 250 I CA -0.091 61.250 61.300 0.069 0.000 1.202 250 I CB 0.860 38.888 38.000 0.047 0.000 1.386 250 I HN 0.624 nan 8.210 nan 0.000 0.475 251 A N 4.609 127.459 122.820 0.050 0.000 2.437 251 A HA 0.531 4.851 4.320 0.001 0.000 0.292 251 A C 0.752 178.362 177.584 0.042 0.000 1.173 251 A CA -0.544 51.515 52.037 0.038 0.000 0.785 251 A CB 1.140 20.169 19.000 0.049 0.000 1.351 251 A HN 0.679 nan 8.150 nan 0.000 0.431 252 E N -0.284 119.938 120.200 0.038 0.000 2.204 252 E HA -0.081 4.269 4.350 0.001 0.000 0.195 252 E C -0.350 176.290 176.600 0.068 0.000 0.990 252 E CA 1.259 57.689 56.400 0.051 0.000 0.821 252 E CB 0.189 29.918 29.700 0.049 0.000 0.750 252 E HN 0.565 nan 8.360 nan 0.000 0.477 253 D N -1.648 118.793 120.400 0.068 0.000 2.710 253 D HA 0.158 4.799 4.640 0.001 0.000 0.276 253 D C -1.799 174.547 176.300 0.077 0.000 1.267 253 D CA -0.472 53.574 54.000 0.077 0.000 0.772 253 D CB 2.153 42.992 40.800 0.066 0.000 1.299 253 D HN -0.243 nan 8.370 nan 0.000 0.421 254 V N 1.942 121.909 119.914 0.089 0.000 2.447 254 V HA 0.364 4.485 4.120 0.001 0.000 0.292 254 V C -0.105 176.034 176.094 0.075 0.000 1.021 254 V CA -0.671 61.680 62.300 0.086 0.000 0.850 254 V CB 1.539 33.432 31.823 0.117 0.000 1.005 254 V HN 0.441 nan 8.190 nan 0.000 0.426 255 E N 2.822 123.055 120.200 0.056 0.000 2.280 255 E HA 0.566 4.916 4.350 0.001 0.000 0.264 255 E C 1.452 178.074 176.600 0.036 0.000 1.064 255 E CA 0.488 56.914 56.400 0.043 0.000 0.900 255 E CB 1.713 31.433 29.700 0.035 0.000 1.123 255 E HN 0.550 nan 8.360 nan 0.000 0.418 256 G N 1.715 110.531 108.800 0.026 0.000 2.545 256 G HA2 -0.369 3.592 3.960 0.001 0.000 0.222 256 G HA3 -0.369 3.592 3.960 0.001 0.000 0.222 256 G C 1.230 176.138 174.900 0.012 0.000 1.126 256 G CA 1.334 46.444 45.100 0.016 0.000 0.754 256 G HN 0.651 nan 8.290 nan 0.000 0.583 257 E N 0.319 120.527 120.200 0.014 0.000 2.006 257 E HA 0.005 4.356 4.350 0.001 0.000 0.192 257 E C 2.922 179.533 176.600 0.019 0.000 0.993 257 E CA 0.889 57.296 56.400 0.012 0.000 0.808 257 E CB -0.280 29.427 29.700 0.011 0.000 0.764 257 E HN 0.308 nan 8.360 nan 0.000 0.449 258 A N 1.754 124.591 122.820 0.029 0.000 1.908 258 A HA -0.195 4.126 4.320 0.001 0.000 0.218 258 A C 2.275 179.894 177.584 0.058 0.000 1.181 258 A CA 1.331 53.392 52.037 0.041 0.000 0.627 258 A CB -0.865 18.162 19.000 0.045 0.000 0.818 258 A HN 0.447 nan 8.150 nan 0.000 0.445 259 L N -0.780 120.478 121.223 0.058 0.000 1.970 259 L HA -0.231 4.110 4.340 0.001 0.000 0.212 259 L C 2.963 179.854 176.870 0.035 0.000 1.071 259 L CA 1.754 56.634 54.840 0.066 0.000 0.751 259 L CB -0.500 41.587 42.059 0.048 0.000 0.889 259 L HN 0.429 nan 8.230 nan 0.000 0.432 260 A N -0.501 122.322 122.820 0.006 0.000 1.877 260 A HA -0.241 4.079 4.320 0.001 0.000 0.216 260 A C 2.305 179.884 177.584 -0.007 0.000 1.186 260 A CA 2.447 54.471 52.037 -0.022 0.000 0.620 260 A CB -1.230 17.751 19.000 -0.031 0.000 0.822 260 A HN 0.639 nan 8.150 nan 0.000 0.443 261 T N -1.131 113.429 114.554 0.009 0.000 2.788 261 T HA -0.108 4.242 4.350 0.001 0.000 0.268 261 T C 1.839 176.560 174.700 0.035 0.000 1.044 261 T CA 1.536 63.645 62.100 0.015 0.000 1.139 261 T CB -0.597 68.279 68.868 0.015 0.000 0.867 261 T HN 0.289 nan 8.240 nan 0.000 0.454 262 L N 0.462 121.724 121.223 0.064 0.000 2.005 262 L HA -0.015 4.325 4.340 0.001 0.000 0.207 262 L C 3.025 179.982 176.870 0.145 0.000 1.072 262 L CA 0.866 55.771 54.840 0.108 0.000 0.744 262 L CB -0.707 41.440 42.059 0.147 0.000 0.895 262 L HN 0.145 nan 8.230 nan 0.000 0.433 263 V N -0.438 119.553 119.914 0.128 0.000 2.332 263 V HA -0.256 3.864 4.120 0.001 0.000 0.248 263 V C 2.389 178.501 176.094 0.030 0.000 1.055 263 V CA 1.566 63.913 62.300 0.078 0.000 1.038 263 V CB -0.250 31.508 31.823 -0.109 0.000 0.651 263 V HN 0.219 nan 8.190 nan 0.000 0.450 264 V N 0.325 120.234 119.914 -0.009 0.000 2.720 264 V HA -0.174 3.946 4.120 0.001 0.000 0.256 264 V C 2.024 178.122 176.094 0.005 0.000 1.082 264 V CA 1.695 63.979 62.300 -0.027 0.000 1.101 264 V CB -0.787 31.010 31.823 -0.042 0.000 0.693 264 V HN 0.593 nan 8.190 nan 0.000 0.479 265 N N -0.031 118.689 118.700 0.034 0.000 2.398 265 N HA -0.050 4.691 4.740 0.001 0.000 0.188 265 N C 1.593 177.137 175.510 0.056 0.000 1.122 265 N CA 1.004 54.077 53.050 0.039 0.000 0.866 265 N CB 0.364 38.875 38.487 0.039 0.000 0.970 265 N HN 0.750 nan 8.380 nan 0.000 0.462 266 T N -1.029 113.575 114.554 0.082 0.000 3.259 266 T HA 0.085 4.435 4.350 0.001 0.000 0.190 266 T C 1.228 175.968 174.700 0.067 0.000 0.797 266 T CA -0.235 61.926 62.100 0.102 0.000 2.302 266 T CB -0.491 68.496 68.868 0.198 0.000 1.952 266 T HN 0.110 nan 8.240 nan 0.000 0.414 267 M N 1.098 120.740 119.600 0.070 0.000 2.284 267 M HA 0.337 4.817 4.480 0.001 0.000 0.351 267 M C 0.303 176.614 176.300 0.018 0.000 1.443 267 M CA -0.062 55.263 55.300 0.043 0.000 1.031 267 M CB -0.126 32.504 32.600 0.051 0.000 1.893 267 M HN 0.484 nan 8.290 nan 0.000 0.456 268 R N 0.422 120.928 120.500 0.010 0.000 4.016 268 R HA -0.150 4.190 4.340 0.001 0.000 0.385 268 R C 0.234 176.535 176.300 0.002 0.000 1.158 268 R CA 1.165 57.264 56.100 -0.001 0.000 1.117 268 R CB -2.403 27.890 30.300 -0.013 0.000 1.635 268 R HN 1.113 nan 8.270 nan 0.000 0.560 269 G N -0.756 108.050 108.800 0.011 0.000 3.107 269 G HA2 0.666 4.627 3.960 0.001 0.000 0.232 269 G HA3 0.666 4.627 3.960 0.001 0.000 0.232 269 G C 0.980 175.890 174.900 0.017 0.000 1.339 269 G CA -0.411 44.697 45.100 0.013 0.000 1.033 269 G HN 0.002 nan 8.290 nan 0.000 0.567 270 I N -0.955 119.627 120.570 0.019 0.000 2.962 270 I HA 0.099 4.269 4.170 0.001 0.000 0.246 270 I C 0.427 176.559 176.117 0.024 0.000 1.091 270 I CA 0.337 61.648 61.300 0.018 0.000 1.469 270 I CB 0.106 38.114 38.000 0.014 0.000 1.324 270 I HN -0.033 nan 8.210 nan 0.000 0.461 271 V N 3.119 123.050 119.914 0.027 0.000 2.313 271 V HA 0.066 4.187 4.120 0.001 0.000 0.252 271 V C 0.516 176.633 176.094 0.037 0.000 1.112 271 V CA -0.247 62.071 62.300 0.030 0.000 0.984 271 V CB -0.109 31.730 31.823 0.026 0.000 1.157 271 V HN 0.238 nan 8.190 nan 0.000 0.493 272 K N 4.555 124.975 120.400 0.033 0.000 2.715 272 K HA 0.211 4.532 4.320 0.001 0.000 0.248 272 K C 0.277 176.877 176.600 0.001 0.000 1.276 272 K CA -0.307 56.000 56.287 0.033 0.000 1.209 272 K CB -0.069 32.449 32.500 0.029 0.000 1.509 272 K HN 0.731 nan 8.250 nan 0.000 0.261 273 V N -1.009 118.900 119.914 -0.007 0.000 3.385 273 V HA 0.733 4.854 4.120 0.001 0.000 0.301 273 V C 0.188 176.092 176.094 -0.317 0.000 1.082 273 V CA -0.387 61.862 62.300 -0.086 0.000 1.085 273 V CB 1.246 33.049 31.823 -0.034 0.000 1.152 273 V HN 0.430 nan 8.190 nan 0.000 0.465 274 A N 0.643 123.165 122.820 -0.497 0.000 2.583 274 A HA 1.052 5.372 4.320 0.001 0.000 0.289 274 A C -0.437 176.795 177.584 -0.585 0.000 1.151 274 A CA -0.466 50.874 52.037 -1.161 0.000 0.695 274 A CB 1.409 19.847 19.000 -0.937 0.000 1.290 274 A HN 2.551 nan 8.150 nan 0.000 0.419 275 A N -0.702 121.846 122.820 -0.454 0.000 2.574 275 A HA 0.807 5.127 4.320 0.001 0.000 0.297 275 A C -0.817 176.881 177.584 0.190 0.000 1.062 275 A CA 0.067 52.123 52.037 0.032 0.000 0.686 275 A CB 1.126 20.241 19.000 0.192 0.000 1.285 275 A HN 2.372 nan 8.150 nan 0.000 0.403 276 V N -1.272 118.750 119.914 0.180 0.000 3.114 276 V HA 0.674 4.795 4.120 0.001 0.000 0.308 276 V C -0.642 175.574 176.094 0.203 0.000 1.168 276 V CA -1.252 61.178 62.300 0.217 0.000 1.015 276 V CB 1.764 33.728 31.823 0.235 0.000 1.050 276 V HN 0.861 nan 8.190 nan 0.000 0.433 277 K N 2.092 122.610 120.400 0.197 0.000 2.270 277 K HA 0.671 4.991 4.320 0.001 0.000 0.276 277 K C 0.429 177.138 176.600 0.182 0.000 1.023 277 K CA 0.236 56.620 56.287 0.161 0.000 0.955 277 K CB 1.525 34.104 32.500 0.133 0.000 0.975 277 K HN 1.106 nan 8.250 nan 0.000 0.471 278 A N 4.395 127.255 122.820 0.066 0.000 2.406 278 A HA 0.211 4.531 4.320 0.001 0.000 0.243 278 A C -2.002 175.510 177.584 -0.120 0.000 1.082 278 A CA -1.052 50.930 52.037 -0.092 0.000 0.786 278 A CB -0.486 18.460 19.000 -0.089 0.000 1.029 278 A HN 0.497 nan 8.150 nan 0.000 0.495 279 P HA 0.345 nan 4.420 nan 0.000 0.271 279 P C 0.876 178.112 177.300 -0.107 0.000 1.216 279 P CA 1.376 64.350 63.100 -0.209 0.000 0.776 279 P CB 0.613 32.093 31.700 -0.366 0.000 0.881 280 G N 2.873 111.667 108.800 -0.010 0.000 2.531 280 G HA2 -0.135 3.826 3.960 0.001 0.000 0.274 280 G HA3 -0.135 3.826 3.960 0.001 0.000 0.274 280 G C -0.546 174.436 174.900 0.137 0.000 1.159 280 G CA 0.399 45.483 45.100 -0.028 0.000 0.969 280 G HN 0.815 nan 8.290 nan 0.000 0.554 281 F N -3.262 116.689 119.950 0.003 0.000 2.793 281 F HA 0.587 5.115 4.527 0.001 0.000 0.316 281 F C 1.028 176.832 175.800 0.006 0.000 1.147 281 F CA 0.249 58.255 58.000 0.009 0.000 0.930 281 F CB 0.466 39.478 39.000 0.020 0.000 1.277 281 F HN 2.368 nan 8.300 nan 0.000 0.443 282 G N 1.727 110.650 108.800 0.205 0.000 2.698 282 G HA2 -0.419 3.541 3.960 0.001 0.000 0.337 282 G HA3 -0.419 3.541 3.960 0.001 0.000 0.337 282 G C 0.865 175.773 174.900 0.013 0.000 1.286 282 G CA 1.199 46.398 45.100 0.164 0.000 1.000 282 G HN 1.371 nan 8.290 nan 0.000 0.547 283 D N 0.452 120.861 120.400 0.016 0.000 2.144 283 D HA -0.123 4.517 4.640 0.001 0.000 0.199 283 D C 2.325 178.533 176.300 -0.153 0.000 0.984 283 D CA 1.619 55.593 54.000 -0.043 0.000 0.834 283 D CB -0.284 40.524 40.800 0.013 0.000 0.955 283 D HN 0.370 nan 8.370 nan 0.000 0.465 284 R N 0.958 121.243 120.500 -0.359 0.000 2.159 284 R HA -0.097 4.244 4.340 0.001 0.000 0.237 284 R C 2.521 178.648 176.300 -0.288 0.000 1.131 284 R CA 1.319 57.168 56.100 -0.419 0.000 0.982 284 R CB -0.763 29.049 30.300 -0.813 0.000 0.868 284 R HN 0.455 nan 8.270 nan 0.000 0.453 285 R N 0.860 121.216 120.500 -0.240 0.000 2.120 285 R HA -0.104 4.237 4.340 0.001 0.000 0.234 285 R C 1.165 177.395 176.300 -0.117 0.000 1.123 285 R CA 1.272 57.280 56.100 -0.155 0.000 0.975 285 R CB -0.245 29.998 30.300 -0.096 0.000 0.866 285 R HN 0.010 nan 8.270 nan 0.000 0.446 286 K N 0.851 121.193 120.400 -0.098 0.000 2.074 286 K HA -0.138 4.182 4.320 0.001 0.000 0.209 286 K C 2.106 178.662 176.600 -0.073 0.000 1.048 286 K CA 1.780 58.025 56.287 -0.070 0.000 0.926 286 K CB -0.332 32.135 32.500 -0.056 0.000 0.713 286 K HN 0.399 nan 8.250 nan 0.000 0.444 287 A N 1.058 123.825 122.820 -0.090 0.000 1.850 287 A HA 0.006 4.326 4.320 0.001 0.000 0.212 287 A C 2.235 179.764 177.584 -0.092 0.000 1.208 287 A CA 0.954 52.941 52.037 -0.082 0.000 0.609 287 A CB -0.339 18.610 19.000 -0.085 0.000 0.860 287 A HN 0.147 nan 8.150 nan 0.000 0.448 288 M N -0.962 118.566 119.600 -0.120 0.000 2.394 288 M HA 0.012 4.492 4.480 0.001 0.000 0.264 288 M C 1.989 178.198 176.300 -0.153 0.000 1.073 288 M CA 0.733 55.952 55.300 -0.135 0.000 1.111 288 M CB -0.191 32.312 32.600 -0.162 0.000 1.401 288 M HN 0.399 nan 8.290 nan 0.000 0.448 289 L N 0.345 121.483 121.223 -0.141 0.000 2.156 289 L HA -0.149 4.192 4.340 0.001 0.000 0.208 289 L C 2.400 179.219 176.870 -0.085 0.000 1.095 289 L CA 1.729 56.492 54.840 -0.127 0.000 0.770 289 L CB -0.382 41.613 42.059 -0.106 0.000 0.914 289 L HN 0.215 nan 8.230 nan 0.000 0.439 290 Q N -0.714 119.045 119.800 -0.069 0.000 2.245 290 Q HA -0.136 4.204 4.340 0.001 0.000 0.201 290 Q C 1.633 177.607 176.000 -0.043 0.000 0.955 290 Q CA 1.242 57.017 55.803 -0.047 0.000 0.870 290 Q CB -0.065 28.650 28.738 -0.040 0.000 0.945 290 Q HN 0.472 nan 8.270 nan 0.000 0.461 291 D N 0.030 120.398 120.400 -0.054 0.000 2.123 291 D HA -0.162 4.479 4.640 0.001 0.000 0.196 291 D C 1.697 177.976 176.300 -0.035 0.000 0.992 291 D CA 1.263 55.236 54.000 -0.044 0.000 0.833 291 D CB -0.118 40.651 40.800 -0.052 0.000 0.954 291 D HN 0.370 nan 8.370 nan 0.000 0.455 292 I N 1.133 121.671 120.570 -0.053 0.000 2.252 292 I HA -0.227 3.944 4.170 0.001 0.000 0.245 292 I C 2.491 178.600 176.117 -0.014 0.000 1.102 292 I CA 0.844 62.124 61.300 -0.033 0.000 1.385 292 I CB -0.208 37.747 38.000 -0.075 0.000 1.064 292 I HN -0.081 nan 8.210 nan 0.000 0.414 293 A N 0.619 123.426 122.820 -0.021 0.000 1.908 293 A HA -0.229 4.092 4.320 0.001 0.000 0.218 293 A C 2.380 179.963 177.584 -0.002 0.000 1.181 293 A CA 2.565 54.598 52.037 -0.007 0.000 0.627 293 A CB -1.151 17.841 19.000 -0.013 0.000 0.818 293 A HN 0.395 nan 8.150 nan 0.000 0.445 294 T N 0.148 114.697 114.554 -0.008 0.000 2.652 294 T HA -0.185 4.165 4.350 0.001 0.000 0.267 294 T C 1.852 176.552 174.700 -0.000 0.000 1.039 294 T CA 1.656 63.753 62.100 -0.005 0.000 1.153 294 T CB -0.456 68.406 68.868 -0.009 0.000 0.863 294 T HN 0.370 nan 8.240 nan 0.000 0.428 295 L N 1.757 122.981 121.223 0.002 0.000 2.046 295 L HA -0.062 4.279 4.340 0.001 0.000 0.208 295 L C 2.481 179.356 176.870 0.008 0.000 1.077 295 L CA 2.235 57.080 54.840 0.007 0.000 0.747 295 L CB -1.091 40.978 42.059 0.016 0.000 0.896 295 L HN 0.438 nan 8.230 nan 0.000 0.432 296 T N -3.831 110.730 114.554 0.012 0.000 3.100 296 T HA 0.304 4.654 4.350 0.001 0.000 0.253 296 T C 1.390 176.098 174.700 0.013 0.000 1.118 296 T CA 0.274 62.383 62.100 0.015 0.000 1.058 296 T CB -0.367 68.517 68.868 0.027 0.000 0.953 296 T HN 0.689 nan 8.240 nan 0.000 0.515 297 G N 0.597 109.404 108.800 0.012 0.000 2.176 297 G HA2 0.008 3.969 3.960 0.001 0.000 0.252 297 G HA3 0.008 3.969 3.960 0.001 0.000 0.252 297 G C 0.312 175.230 174.900 0.030 0.000 1.024 297 G CA -0.165 44.945 45.100 0.016 0.000 0.755 297 G HN 1.028 nan 8.290 nan 0.000 0.507 298 G N -1.679 107.138 108.800 0.028 0.000 2.601 298 G HA2 0.796 4.757 3.960 0.001 0.000 0.317 298 G HA3 0.796 4.757 3.960 0.001 0.000 0.317 298 G C -0.427 174.484 174.900 0.018 0.000 1.246 298 G CA 0.201 45.322 45.100 0.034 0.000 1.012 298 G HN 0.663 nan 8.290 nan 0.000 0.494 299 T N -0.023 114.541 114.554 0.016 0.000 2.861 299 T HA 0.458 4.808 4.350 0.001 0.000 0.287 299 T C 0.090 174.791 174.700 0.000 0.000 1.003 299 T CA -0.388 61.715 62.100 0.005 0.000 0.977 299 T CB 1.545 70.417 68.868 0.006 0.000 0.996 299 T HN 0.911 nan 8.240 nan 0.000 0.448 300 V N 1.399 121.309 119.914 -0.008 0.000 2.479 300 V HA 0.427 4.547 4.120 0.001 0.000 0.281 300 V C 0.059 176.148 176.094 -0.009 0.000 1.031 300 V CA -0.566 61.727 62.300 -0.012 0.000 1.038 300 V CB -0.557 31.253 31.823 -0.023 0.000 0.981 300 V HN 0.717 nan 8.190 nan 0.000 0.478 301 I N 4.985 125.551 120.570 -0.007 0.000 2.460 301 I HA 0.097 4.268 4.170 0.001 0.000 0.297 301 I C 1.063 177.176 176.117 -0.006 0.000 1.139 301 I CA 1.041 62.337 61.300 -0.006 0.000 1.340 301 I CB 0.260 38.258 38.000 -0.004 0.000 1.444 301 I HN 0.694 nan 8.210 nan 0.000 0.557 302 S N 6.436 122.132 115.700 -0.007 0.000 3.483 302 S HA 0.109 4.580 4.470 0.001 0.000 0.274 302 S C 1.334 175.932 174.600 -0.004 0.000 1.289 302 S CA -0.490 57.706 58.200 -0.007 0.000 0.938 302 S CB -0.153 63.042 63.200 -0.008 0.000 1.453 302 S HN 0.507 nan 8.310 nan 0.000 0.494 303 E N 2.193 122.391 120.200 -0.002 0.000 2.160 303 E HA -0.186 4.165 4.350 0.001 0.000 0.195 303 E C 1.168 177.769 176.600 0.001 0.000 0.991 303 E CA 0.999 57.399 56.400 0.000 0.000 0.810 303 E CB 0.070 29.772 29.700 0.003 0.000 0.742 303 E HN 0.713 nan 8.360 nan 0.000 0.466 304 E N 0.103 120.303 120.200 0.000 0.000 2.418 304 E HA -0.049 4.301 4.350 0.001 0.000 0.197 304 E C 1.687 178.286 176.600 -0.000 0.000 1.026 304 E CA 0.295 56.695 56.400 0.001 0.000 0.862 304 E CB 0.062 29.763 29.700 0.001 0.000 0.799 304 E HN 0.302 nan 8.360 nan 0.000 0.518 305 I N -0.733 119.836 120.570 -0.002 0.000 3.968 305 I HA 0.129 4.300 4.170 0.001 0.000 0.328 305 I C 1.226 177.342 176.117 -0.001 0.000 1.290 305 I CA 0.228 61.527 61.300 -0.002 0.000 1.163 305 I CB 0.575 38.572 38.000 -0.004 0.000 1.024 305 I HN 0.136 nan 8.210 nan 0.000 0.413 306 G N 1.595 110.395 108.800 -0.001 0.000 2.132 306 G HA2 -0.243 3.717 3.960 0.001 0.000 0.234 306 G HA3 -0.243 3.717 3.960 0.001 0.000 0.234 306 G C 0.317 175.216 174.900 -0.002 0.000 0.989 306 G CA -0.311 44.789 45.100 -0.001 0.000 0.676 306 G HN 0.210 nan 8.290 nan 0.000 0.522 307 M N -0.147 119.451 119.600 -0.002 0.000 2.219 307 M HA 0.497 4.977 4.480 0.001 0.000 0.307 307 M C 0.528 176.827 176.300 -0.003 0.000 1.116 307 M CA 0.655 55.953 55.300 -0.003 0.000 1.181 307 M CB 0.620 33.217 32.600 -0.004 0.000 1.410 307 M HN 0.217 nan 8.290 nan 0.000 0.454 308 E N 0.825 121.023 120.200 -0.004 0.000 2.352 308 E HA 0.248 4.598 4.350 0.001 0.000 0.280 308 E C -0.513 176.083 176.600 -0.006 0.000 0.930 308 E CA -0.284 56.114 56.400 -0.004 0.000 0.765 308 E CB 1.858 31.556 29.700 -0.003 0.000 1.219 308 E HN 0.733 nan 8.360 nan 0.000 0.434 309 L N 2.128 123.348 121.223 -0.006 0.000 2.217 309 L HA 0.005 4.345 4.340 0.001 0.000 0.211 309 L C 2.243 179.105 176.870 -0.014 0.000 1.107 309 L CA 0.801 55.636 54.840 -0.009 0.000 0.783 309 L CB -0.075 41.982 42.059 -0.004 0.000 0.919 309 L HN 0.636 nan 8.230 nan 0.000 0.442 310 E N 0.657 120.850 120.200 -0.012 0.000 2.209 310 E HA -0.237 4.114 4.350 0.001 0.000 0.196 310 E C 1.436 178.025 176.600 -0.018 0.000 0.993 310 E CA 1.098 57.489 56.400 -0.015 0.000 0.819 310 E CB 0.284 29.978 29.700 -0.010 0.000 0.745 310 E HN 0.227 nan 8.360 nan 0.000 0.477 311 K N 0.076 120.467 120.400 -0.016 0.000 2.404 311 K HA 0.211 4.532 4.320 0.001 0.000 0.194 311 K C 0.164 176.751 176.600 -0.020 0.000 1.023 311 K CA 0.322 56.600 56.287 -0.016 0.000 1.094 311 K CB 0.610 33.103 32.500 -0.011 0.000 0.841 311 K HN 0.118 nan 8.250 nan 0.000 0.523 312 A N 0.160 122.966 122.820 -0.025 0.000 2.310 312 A HA 0.532 4.852 4.320 0.001 0.000 0.260 312 A C 0.067 177.624 177.584 -0.045 0.000 1.112 312 A CA 0.202 52.220 52.037 -0.031 0.000 0.804 312 A CB 0.401 19.383 19.000 -0.031 0.000 1.081 312 A HN 0.169 nan 8.150 nan 0.000 0.499 313 T N -0.454 114.067 114.554 -0.055 0.000 2.886 313 T HA 0.310 4.660 4.350 0.001 0.000 0.330 313 T C 0.945 175.589 174.700 -0.094 0.000 1.488 313 T CA -0.655 61.399 62.100 -0.076 0.000 1.054 313 T CB 0.876 69.714 68.868 -0.050 0.000 1.348 313 T HN 0.462 nan 8.240 nan 0.000 0.489 314 L N 1.119 122.247 121.223 -0.158 0.000 2.187 314 L HA -0.148 4.192 4.340 0.001 0.000 0.213 314 L C 2.636 179.504 176.870 -0.002 0.000 1.100 314 L CA 1.781 56.477 54.840 -0.240 0.000 0.765 314 L CB -0.481 41.337 42.059 -0.403 0.000 0.904 314 L HN 0.821 nan 8.230 nan 0.000 0.437 315 E N -0.425 119.787 120.200 0.021 0.000 2.204 315 E HA -0.217 4.133 4.350 0.001 0.000 0.194 315 E C 1.235 177.868 176.600 0.054 0.000 0.989 315 E CA 1.290 57.725 56.400 0.059 0.000 0.824 315 E CB -0.147 29.574 29.700 0.034 0.000 0.756 315 E HN 0.483 nan 8.360 nan 0.000 0.477 316 D N 0.137 120.554 120.400 0.029 0.000 2.346 316 D HA 0.081 4.722 4.640 0.001 0.000 0.206 316 D C 0.304 176.627 176.300 0.038 0.000 1.001 316 D CA -0.027 53.988 54.000 0.025 0.000 0.871 316 D CB 0.346 41.150 40.800 0.006 0.000 0.943 316 D HN 0.097 nan 8.370 nan 0.000 0.518 317 L N 0.680 121.934 121.223 0.051 0.000 2.479 317 L HA 0.191 4.531 4.340 0.001 0.000 0.270 317 L C 1.492 178.451 176.870 0.148 0.000 1.236 317 L CA 0.362 55.261 54.840 0.098 0.000 0.823 317 L CB 0.403 42.525 42.059 0.106 0.000 1.098 317 L HN -0.165 nan 8.230 nan 0.000 0.500 318 G N 0.108 108.990 108.800 0.137 0.000 2.547 318 G HA2 0.571 4.531 3.960 0.001 0.000 0.291 318 G HA3 0.571 4.531 3.960 0.001 0.000 0.291 318 G C -0.980 173.989 174.900 0.114 0.000 1.211 318 G CA -0.369 44.793 45.100 0.104 0.000 0.950 318 G HN 0.529 nan 8.290 nan 0.000 0.504 319 Q N -1.483 118.320 119.800 0.006 0.000 2.421 319 Q HA 0.626 4.966 4.340 0.001 0.000 0.280 319 Q C -0.875 175.085 176.000 -0.067 0.000 1.085 319 Q CA -0.807 54.934 55.803 -0.103 0.000 0.807 319 Q CB 2.648 31.228 28.738 -0.265 0.000 1.405 319 Q HN 0.836 nan 8.270 nan 0.000 0.419 320 A N 0.862 123.637 122.820 -0.075 0.000 2.587 320 A HA 0.437 4.757 4.320 0.001 0.000 0.293 320 A C -0.494 177.053 177.584 -0.061 0.000 1.087 320 A CA -0.583 51.424 52.037 -0.049 0.000 0.692 320 A CB 1.666 20.658 19.000 -0.014 0.000 1.291 320 A HN 0.753 nan 8.150 nan 0.000 0.407 321 K N -0.508 119.864 120.400 -0.048 0.000 2.167 321 K HA 0.097 4.417 4.320 0.001 0.000 0.203 321 K C 0.377 176.955 176.600 -0.036 0.000 1.052 321 K CA 1.094 57.353 56.287 -0.046 0.000 0.956 321 K CB 0.079 32.556 32.500 -0.038 0.000 0.735 321 K HN 0.616 nan 8.250 nan 0.000 0.451 322 R N -0.704 119.780 120.500 -0.027 0.000 2.740 322 R HA 0.398 4.738 4.340 0.001 0.000 0.273 322 R C -1.851 174.440 176.300 -0.015 0.000 0.998 322 R CA -0.694 55.393 56.100 -0.021 0.000 0.900 322 R CB 2.601 32.890 30.300 -0.019 0.000 1.223 322 R HN -0.130 nan 8.270 nan 0.000 0.466 323 V N 2.620 122.524 119.914 -0.016 0.000 2.789 323 V HA 0.747 4.867 4.120 0.001 0.000 0.311 323 V C -1.195 174.888 176.094 -0.019 0.000 1.073 323 V CA -0.564 61.726 62.300 -0.016 0.000 0.921 323 V CB 2.183 33.999 31.823 -0.010 0.000 1.009 323 V HN 0.589 nan 8.190 nan 0.000 0.426 324 V N 4.651 124.549 119.914 -0.027 0.000 2.735 324 V HA 0.864 4.985 4.120 0.001 0.000 0.310 324 V C -1.110 174.972 176.094 -0.019 0.000 1.061 324 V CA -0.664 61.630 62.300 -0.010 0.000 0.913 324 V CB 1.750 33.571 31.823 -0.003 0.000 1.005 324 V HN 0.785 nan 8.190 nan 0.000 0.428 325 I N 4.379 124.972 120.570 0.038 0.000 2.656 325 I HA 0.597 4.767 4.170 0.001 0.000 0.292 325 I C -0.324 175.883 176.117 0.149 0.000 1.144 325 I CA -0.336 61.004 61.300 0.067 0.000 1.038 325 I CB 2.127 40.212 38.000 0.141 0.000 1.244 325 I HN 0.972 nan 8.210 nan 0.000 0.420 326 N N 4.325 123.061 118.700 0.060 0.000 2.906 326 N HA 0.339 5.080 4.740 0.001 0.000 0.327 326 N C 0.554 175.863 175.510 -0.336 0.000 1.344 326 N CA -0.722 52.354 53.050 0.044 0.000 0.823 326 N CB 1.076 39.552 38.487 -0.019 0.000 1.351 326 N HN 0.607 nan 8.380 nan 0.000 0.604 327 K N -0.925 119.241 120.400 -0.390 0.000 2.360 327 K HA -0.093 4.228 4.320 0.001 0.000 0.201 327 K C -0.119 176.218 176.600 -0.439 0.000 1.046 327 K CA 1.782 57.684 56.287 -0.642 0.000 0.940 327 K CB 0.041 32.408 32.500 -0.222 0.000 0.748 327 K HN 0.507 nan 8.250 nan 0.000 0.465 328 D N -1.572 118.665 120.400 -0.271 0.000 2.449 328 D HA 0.063 4.703 4.640 0.001 0.000 0.255 328 D C -0.249 175.980 176.300 -0.119 0.000 1.121 328 D CA 0.181 54.086 54.000 -0.158 0.000 0.830 328 D CB 1.335 42.075 40.800 -0.100 0.000 1.280 328 D HN -0.027 nan 8.370 nan 0.000 0.522 329 T N 0.137 114.609 114.554 -0.138 0.000 2.942 329 T HA 0.365 4.715 4.350 0.001 0.000 0.327 329 T C -0.958 173.623 174.700 -0.198 0.000 1.360 329 T CA -0.358 61.659 62.100 -0.137 0.000 1.055 329 T CB 2.770 71.587 68.868 -0.085 0.000 1.261 329 T HN -0.287 nan 8.240 nan 0.000 0.485 330 T N 2.058 116.386 114.554 -0.376 0.000 2.863 330 T HA 0.809 5.159 4.350 0.001 0.000 0.285 330 T C -0.427 173.949 174.700 -0.542 0.000 1.009 330 T CA -0.708 61.080 62.100 -0.521 0.000 0.989 330 T CB 1.752 70.073 68.868 -0.912 0.000 1.004 330 T HN 0.814 nan 8.240 nan 0.000 0.455 331 T N 0.945 115.311 114.554 -0.314 0.000 2.912 331 T HA 0.756 5.106 4.350 0.001 0.000 0.299 331 T C -0.821 173.819 174.700 -0.099 0.000 1.052 331 T CA -0.952 61.033 62.100 -0.193 0.000 0.996 331 T CB 0.622 69.431 68.868 -0.099 0.000 1.070 331 T HN 0.651 nan 8.240 nan 0.000 0.465 332 I N 1.056 121.616 120.570 -0.017 0.000 2.530 332 I HA 0.856 5.026 4.170 0.001 0.000 0.297 332 I C -1.580 174.550 176.117 0.022 0.000 1.011 332 I CA -1.519 59.798 61.300 0.029 0.000 1.107 332 I CB 1.707 39.767 38.000 0.100 0.000 1.285 332 I HN 0.528 nan 8.210 nan 0.000 0.436 333 I N 3.844 124.419 120.570 0.008 0.000 2.656 333 I HA 0.401 4.572 4.170 0.001 0.000 0.292 333 I C -0.476 175.637 176.117 -0.006 0.000 1.144 333 I CA -0.209 61.091 61.300 -0.001 0.000 1.038 333 I CB 1.707 39.701 38.000 -0.010 0.000 1.244 333 I HN 0.713 nan 8.210 nan 0.000 0.420 334 D N 3.787 124.183 120.400 -0.007 0.000 2.760 334 D HA -0.122 4.518 4.640 0.001 0.000 0.244 334 D C 0.245 176.535 176.300 -0.017 0.000 1.123 334 D CA 1.137 55.129 54.000 -0.013 0.000 0.719 334 D CB -0.473 40.316 40.800 -0.018 0.000 1.045 334 D HN 0.938 nan 8.370 nan 0.000 0.426 335 G N -0.260 108.534 108.800 -0.009 0.000 2.544 335 G HA2 0.356 4.317 3.960 0.001 0.000 0.242 335 G HA3 0.356 4.317 3.960 0.001 0.000 0.242 335 G C 1.125 176.014 174.900 -0.018 0.000 1.247 335 G CA -0.246 44.848 45.100 -0.010 0.000 0.840 335 G HN 0.343 nan 8.290 nan 0.000 0.578 336 V N 2.702 122.601 119.914 -0.025 0.000 3.292 336 V HA 0.206 4.326 4.120 0.001 0.000 0.372 336 V C 1.667 177.753 176.094 -0.013 0.000 1.249 336 V CA 0.313 62.596 62.300 -0.029 0.000 1.378 336 V CB -0.827 30.965 31.823 -0.052 0.000 1.245 336 V HN 0.809 nan 8.190 nan 0.000 0.467 337 G N 0.470 109.266 108.800 -0.007 0.000 2.489 337 G HA2 0.447 4.407 3.960 0.001 0.000 0.271 337 G HA3 0.447 4.407 3.960 0.001 0.000 0.271 337 G C -0.346 174.552 174.900 -0.004 0.000 1.427 337 G CA -0.295 44.804 45.100 -0.002 0.000 1.057 337 G HN 0.384 nan 8.290 nan 0.000 0.532 338 E N -0.680 119.519 120.200 -0.003 0.000 2.293 338 E HA 0.235 4.586 4.350 0.001 0.000 0.270 338 E C 0.670 177.268 176.600 -0.003 0.000 0.879 338 E CA -0.800 55.598 56.400 -0.003 0.000 0.756 338 E CB 2.127 31.826 29.700 -0.002 0.000 1.208 338 E HN 0.418 nan 8.360 nan 0.000 0.428 339 E N 1.491 121.688 120.200 -0.004 0.000 2.070 339 E HA -0.205 4.146 4.350 0.001 0.000 0.197 339 E C 1.678 178.276 176.600 -0.004 0.000 1.004 339 E CA 1.684 58.081 56.400 -0.004 0.000 0.805 339 E CB -0.172 29.526 29.700 -0.004 0.000 0.744 339 E HN 0.623 nan 8.360 nan 0.000 0.451 340 A N 1.298 124.116 122.820 -0.003 0.000 1.978 340 A HA -0.143 4.177 4.320 0.001 0.000 0.220 340 A C 2.368 179.950 177.584 -0.004 0.000 1.170 340 A CA 2.235 54.270 52.037 -0.003 0.000 0.636 340 A CB -0.461 18.537 19.000 -0.003 0.000 0.810 340 A HN 0.284 nan 8.150 nan 0.000 0.448 341 A N -0.298 122.520 122.820 -0.003 0.000 1.874 341 A HA 0.088 4.408 4.320 0.001 0.000 0.214 341 A C 2.112 179.693 177.584 -0.005 0.000 1.189 341 A CA 1.250 53.285 52.037 -0.004 0.000 0.615 341 A CB -0.477 18.521 19.000 -0.003 0.000 0.830 341 A HN 0.451 nan 8.150 nan 0.000 0.443 342 I N -0.309 120.258 120.570 -0.004 0.000 2.163 342 I HA -0.253 3.918 4.170 0.001 0.000 0.240 342 I C 2.728 178.842 176.117 -0.005 0.000 1.081 342 I CA 1.150 62.448 61.300 -0.004 0.000 1.353 342 I CB -0.396 37.603 38.000 -0.003 0.000 1.054 342 I HN 0.339 nan 8.210 nan 0.000 0.407 343 Q N 0.637 120.434 119.800 -0.005 0.000 2.084 343 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 343 Q C 2.350 178.347 176.000 -0.006 0.000 0.978 343 Q CA 1.873 57.673 55.803 -0.005 0.000 0.844 343 Q CB -0.757 27.979 28.738 -0.004 0.000 0.898 343 Q HN 0.623 nan 8.270 nan 0.000 0.426 344 G N 0.725 109.522 108.800 -0.006 0.000 2.443 344 G HA2 -0.262 3.699 3.960 0.001 0.000 0.219 344 G HA3 -0.262 3.699 3.960 0.001 0.000 0.219 344 G C 1.664 176.559 174.900 -0.008 0.000 1.131 344 G CA 0.709 45.805 45.100 -0.006 0.000 0.775 344 G HN 0.195 nan 8.290 nan 0.000 0.547 345 R N 0.033 120.527 120.500 -0.009 0.000 2.093 345 R HA 0.112 4.453 4.340 0.001 0.000 0.224 345 R C 2.584 178.877 176.300 -0.012 0.000 1.101 345 R CA 0.883 56.976 56.100 -0.012 0.000 0.979 345 R CB -0.726 29.567 30.300 -0.012 0.000 0.877 345 R HN 0.167 nan 8.270 nan 0.000 0.441 346 V N 0.962 120.870 119.914 -0.010 0.000 2.332 346 V HA -0.247 3.873 4.120 0.001 0.000 0.248 346 V C 2.314 178.402 176.094 -0.010 0.000 1.055 346 V CA 1.999 64.293 62.300 -0.010 0.000 1.038 346 V CB -0.933 30.885 31.823 -0.008 0.000 0.651 346 V HN 0.511 nan 8.190 nan 0.000 0.450 347 A N -0.840 121.974 122.820 -0.009 0.000 1.902 347 A HA -0.309 4.012 4.320 0.001 0.000 0.217 347 A C 2.175 179.754 177.584 -0.009 0.000 1.181 347 A CA 2.069 54.101 52.037 -0.008 0.000 0.623 347 A CB -0.518 18.478 19.000 -0.007 0.000 0.818 347 A HN 0.618 nan 8.150 nan 0.000 0.443 348 Q N -0.534 119.260 119.800 -0.010 0.000 2.061 348 Q HA -0.146 4.195 4.340 0.001 0.000 0.204 348 Q C 2.013 178.005 176.000 -0.014 0.000 0.984 348 Q CA 1.768 57.564 55.803 -0.012 0.000 0.846 348 Q CB -0.366 28.364 28.738 -0.014 0.000 0.902 348 Q HN 0.755 nan 8.270 nan 0.000 0.421 349 I N 0.226 120.786 120.570 -0.016 0.000 2.286 349 I HA -0.276 3.895 4.170 0.001 0.000 0.248 349 I C 2.330 178.437 176.117 -0.017 0.000 1.115 349 I CA 0.866 62.154 61.300 -0.020 0.000 1.392 349 I CB -0.200 37.787 38.000 -0.022 0.000 1.065 349 I HN 0.147 nan 8.210 nan 0.000 0.418 350 R N 0.389 120.881 120.500 -0.013 0.000 2.092 350 R HA -0.177 4.164 4.340 0.001 0.000 0.231 350 R C 2.137 178.432 176.300 -0.009 0.000 1.119 350 R CA 1.147 57.241 56.100 -0.010 0.000 0.970 350 R CB -0.701 29.594 30.300 -0.008 0.000 0.864 350 R HN 0.518 nan 8.270 nan 0.000 0.440 351 Q N 1.050 120.845 119.800 -0.008 0.000 2.124 351 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 351 Q C 1.664 177.660 176.000 -0.006 0.000 0.977 351 Q CA 1.354 57.154 55.803 -0.006 0.000 0.850 351 Q CB 0.103 28.837 28.738 -0.006 0.000 0.901 351 Q HN 0.410 nan 8.270 nan 0.000 0.429 352 Q N -0.084 119.711 119.800 -0.009 0.000 2.439 352 Q HA -0.091 4.249 4.340 0.001 0.000 0.211 352 Q C 1.756 177.753 176.000 -0.006 0.000 0.978 352 Q CA 0.690 56.488 55.803 -0.008 0.000 0.897 352 Q CB 0.031 28.761 28.738 -0.014 0.000 0.956 352 Q HN 0.470 nan 8.270 nan 0.000 0.483 353 I N 0.707 121.273 120.570 -0.006 0.000 2.617 353 I HA -0.210 3.960 4.170 0.001 0.000 0.256 353 I C 2.310 178.428 176.117 0.001 0.000 1.167 353 I CA 0.811 62.109 61.300 -0.003 0.000 1.469 353 I CB -0.342 37.654 38.000 -0.006 0.000 1.098 353 I HN 0.309 nan 8.210 nan 0.000 0.436 354 E N 1.469 121.669 120.200 0.001 0.000 2.153 354 E HA -0.267 4.083 4.350 0.001 0.000 0.194 354 E C 1.585 178.188 176.600 0.005 0.000 0.988 354 E CA 1.304 57.706 56.400 0.002 0.000 0.811 354 E CB -0.205 29.495 29.700 0.001 0.000 0.746 354 E HN 0.425 nan 8.360 nan 0.000 0.466 355 E N 0.632 120.836 120.200 0.007 0.000 2.150 355 E HA -0.009 4.341 4.350 0.001 0.000 0.193 355 E C 1.364 177.971 176.600 0.012 0.000 0.985 355 E CA 1.460 57.865 56.400 0.009 0.000 0.814 355 E CB -0.152 29.555 29.700 0.012 0.000 0.752 355 E HN 0.479 nan 8.360 nan 0.000 0.466 356 A N -0.658 122.170 122.820 0.013 0.000 3.420 356 A HA -0.306 4.014 4.320 0.001 0.000 0.269 356 A C 1.578 179.175 177.584 0.022 0.000 1.122 356 A CA 1.745 53.791 52.037 0.015 0.000 1.023 356 A CB -2.615 16.392 19.000 0.011 0.000 1.099 356 A HN 0.304 nan 8.150 nan 0.000 0.860 357 T N -0.599 113.969 114.554 0.024 0.000 3.320 357 T HA 0.339 4.689 4.350 0.001 0.000 0.262 357 T C 0.515 175.238 174.700 0.039 0.000 1.187 357 T CA 1.381 63.497 62.100 0.027 0.000 1.038 357 T CB -0.444 68.438 68.868 0.024 0.000 0.939 357 T HN 1.622 nan 8.240 nan 0.000 0.550 358 S N -0.239 115.490 115.700 0.050 0.000 2.590 358 S HA 0.250 4.721 4.470 0.001 0.000 0.286 358 S C -0.539 174.109 174.600 0.080 0.000 1.147 358 S CA -0.775 57.472 58.200 0.078 0.000 0.963 358 S CB 1.261 64.529 63.200 0.112 0.000 1.124 358 S HN 0.061 nan 8.310 nan 0.000 0.458 359 D N 2.149 122.600 120.400 0.085 0.000 2.183 359 D HA 0.014 4.655 4.640 0.001 0.000 0.203 359 D C 1.348 177.707 176.300 0.099 0.000 0.969 359 D CA 1.093 55.137 54.000 0.073 0.000 0.842 359 D CB -0.048 40.791 40.800 0.064 0.000 0.957 359 D HN 0.674 nan 8.370 nan 0.000 0.484 360 Y N 1.554 121.862 120.300 0.014 0.000 2.145 360 Y HA -0.220 4.331 4.550 0.001 0.000 0.286 360 Y C 1.341 177.249 175.900 0.015 0.000 1.145 360 Y CA 1.777 59.888 58.100 0.018 0.000 1.148 360 Y CB -0.188 38.286 38.460 0.024 0.000 0.981 360 Y HN -0.108 nan 8.280 nan 0.000 0.507 361 D N -0.625 119.827 120.400 0.085 0.000 2.117 361 D HA -0.107 4.534 4.640 0.001 0.000 0.198 361 D C 2.196 178.460 176.300 -0.060 0.000 0.982 361 D CA 1.341 55.331 54.000 -0.018 0.000 0.828 361 D CB -0.133 40.716 40.800 0.081 0.000 0.967 361 D HN 0.255 nan 8.370 nan 0.000 0.464 362 R N 0.594 121.083 120.500 -0.018 0.000 2.091 362 R HA -0.148 4.192 4.340 0.001 0.000 0.238 362 R C 2.180 178.450 176.300 -0.050 0.000 1.136 362 R CA 1.070 57.156 56.100 -0.024 0.000 0.959 362 R CB -0.157 30.143 30.300 -0.001 0.000 0.856 362 R HN 0.307 nan 8.270 nan 0.000 0.437 363 E N 0.994 121.152 120.200 -0.070 0.000 2.031 363 E HA -0.217 4.134 4.350 0.001 0.000 0.193 363 E C 1.666 178.186 176.600 -0.134 0.000 0.994 363 E CA 1.395 57.742 56.400 -0.089 0.000 0.800 363 E CB 0.167 29.817 29.700 -0.084 0.000 0.752 363 E HN 0.038 nan 8.360 nan 0.000 0.447 364 K N 0.318 120.579 120.400 -0.232 0.000 2.147 364 K HA -0.064 4.257 4.320 0.001 0.000 0.205 364 K C 2.080 178.598 176.600 -0.135 0.000 1.049 364 K CA 0.651 56.798 56.287 -0.232 0.000 0.936 364 K CB -0.089 32.183 32.500 -0.380 0.000 0.722 364 K HN 0.156 nan 8.250 nan 0.000 0.446 365 L N -0.125 121.035 121.223 -0.104 0.000 2.072 365 L HA -0.165 4.175 4.340 0.001 0.000 0.205 365 L C 2.470 179.310 176.870 -0.050 0.000 1.079 365 L CA 0.977 55.778 54.840 -0.065 0.000 0.752 365 L CB -0.335 41.695 42.059 -0.048 0.000 0.906 365 L HN 0.158 nan 8.230 nan 0.000 0.436 366 Q N 0.695 120.466 119.800 -0.048 0.000 2.124 366 Q HA -0.226 4.115 4.340 0.001 0.000 0.202 366 Q C 1.920 177.901 176.000 -0.033 0.000 0.977 366 Q CA 1.698 57.481 55.803 -0.034 0.000 0.850 366 Q CB -0.066 28.654 28.738 -0.029 0.000 0.901 366 Q HN 0.448 nan 8.270 nan 0.000 0.429 367 E N -0.401 119.772 120.200 -0.045 0.000 2.077 367 E HA -0.177 4.174 4.350 0.001 0.000 0.193 367 E C 2.141 178.725 176.600 -0.027 0.000 0.989 367 E CA 1.025 57.404 56.400 -0.035 0.000 0.800 367 E CB -0.101 29.570 29.700 -0.047 0.000 0.746 367 E HN 0.324 nan 8.360 nan 0.000 0.452 368 R N 0.405 120.881 120.500 -0.040 0.000 2.120 368 R HA -0.103 4.237 4.340 0.001 0.000 0.234 368 R C 2.384 178.671 176.300 -0.020 0.000 1.123 368 R CA 0.780 56.860 56.100 -0.033 0.000 0.975 368 R CB -0.195 30.076 30.300 -0.047 0.000 0.866 368 R HN 0.041 nan 8.270 nan 0.000 0.446 369 V N 0.784 120.686 119.914 -0.020 0.000 2.229 369 V HA -0.246 3.874 4.120 0.001 0.000 0.243 369 V C 2.406 178.496 176.094 -0.006 0.000 1.042 369 V CA 2.107 64.400 62.300 -0.013 0.000 1.000 369 V CB -0.747 31.068 31.823 -0.014 0.000 0.637 369 V HN 0.411 nan 8.190 nan 0.000 0.446 370 A N -0.611 122.206 122.820 -0.006 0.000 1.933 370 A HA -0.186 4.134 4.320 0.001 0.000 0.218 370 A C 2.154 179.742 177.584 0.007 0.000 1.175 370 A CA 1.542 53.578 52.037 -0.001 0.000 0.628 370 A CB -0.392 18.606 19.000 -0.003 0.000 0.814 370 A HN 0.404 nan 8.150 nan 0.000 0.444 371 K N -1.115 119.293 120.400 0.014 0.000 2.365 371 K HA 0.051 4.372 4.320 0.001 0.000 0.199 371 K C 1.490 178.113 176.600 0.038 0.000 1.045 371 K CA 0.762 57.069 56.287 0.033 0.000 0.962 371 K CB -0.255 32.275 32.500 0.049 0.000 0.759 371 K HN 0.514 nan 8.250 nan 0.000 0.469 372 L N -0.666 120.571 121.223 0.023 0.000 2.670 372 L HA 0.296 4.636 4.340 0.001 0.000 0.177 372 L C 1.654 178.531 176.870 0.011 0.000 1.181 372 L CA 1.082 55.935 54.840 0.021 0.000 0.856 372 L CB -0.846 41.220 42.059 0.012 0.000 1.205 372 L HN -0.073 nan 8.230 nan 0.000 0.506 373 A N -0.170 122.652 122.820 0.005 0.000 2.248 373 A HA 0.126 4.446 4.320 0.001 0.000 0.210 373 A C 1.993 179.578 177.584 0.001 0.000 1.174 373 A CA 0.942 52.979 52.037 0.001 0.000 0.750 373 A CB -1.483 17.515 19.000 -0.002 0.000 0.780 373 A HN 0.594 nan 8.150 nan 0.000 0.478 374 G N -0.402 108.400 108.800 0.003 0.000 2.443 374 G HA2 0.347 4.307 3.960 0.001 0.000 0.219 374 G HA3 0.347 4.307 3.960 0.001 0.000 0.219 374 G C 1.043 175.942 174.900 -0.000 0.000 1.131 374 G CA 0.639 45.740 45.100 0.001 0.000 0.775 374 G HN 1.728 nan 8.290 nan 0.000 0.547 375 G N -1.906 106.895 108.800 0.001 0.000 2.705 375 G HA2 0.110 4.071 3.960 0.001 0.000 0.686 375 G HA3 0.110 4.071 3.960 0.001 0.000 0.686 375 G C -0.750 174.148 174.900 -0.004 0.000 1.285 375 G CA -0.474 44.625 45.100 -0.001 0.000 0.800 375 G HN 0.910 nan 8.290 nan 0.000 0.611 376 V N 1.232 121.143 119.914 -0.005 0.000 2.555 376 V HA 0.853 4.974 4.120 0.001 0.000 0.302 376 V C 0.836 176.922 176.094 -0.013 0.000 1.038 376 V CA -0.131 62.163 62.300 -0.010 0.000 0.887 376 V CB 1.511 33.329 31.823 -0.009 0.000 0.991 376 V HN 2.090 nan 8.190 nan 0.000 0.434 377 A N 3.873 126.682 122.820 -0.017 0.000 2.312 377 A HA 0.894 5.214 4.320 0.001 0.000 0.326 377 A C -0.419 177.151 177.584 -0.022 0.000 1.172 377 A CA -0.569 51.457 52.037 -0.019 0.000 0.821 377 A CB 1.544 20.532 19.000 -0.020 0.000 1.166 377 A HN 1.488 nan 8.150 nan 0.000 0.493 378 V N 0.287 120.189 119.914 -0.021 0.000 2.540 378 V HA 0.680 4.800 4.120 0.001 0.000 0.302 378 V C -0.575 175.506 176.094 -0.022 0.000 1.035 378 V CA -0.538 61.748 62.300 -0.022 0.000 0.873 378 V CB 1.167 32.978 31.823 -0.020 0.000 0.992 378 V HN 0.629 nan 8.190 nan 0.000 0.428 379 I N 4.116 124.671 120.570 -0.024 0.000 2.313 379 I HA 0.370 4.540 4.170 0.001 0.000 0.286 379 I C 0.387 176.492 176.117 -0.019 0.000 1.091 379 I CA -0.294 60.992 61.300 -0.023 0.000 1.216 379 I CB 0.713 38.696 38.000 -0.028 0.000 1.434 379 I HN 0.611 nan 8.210 nan 0.000 0.487 380 K N 5.059 125.449 120.400 -0.016 0.000 2.278 380 K HA 0.271 4.591 4.320 0.001 0.000 0.289 380 K C -0.359 176.234 176.600 -0.012 0.000 1.080 380 K CA -0.308 55.971 56.287 -0.014 0.000 0.934 380 K CB 0.797 33.290 32.500 -0.013 0.000 1.093 380 K HN 0.333 nan 8.250 nan 0.000 0.459 381 V N 2.720 122.627 119.914 -0.011 0.000 2.572 381 V HA 0.153 4.273 4.120 0.001 0.000 0.291 381 V C 0.949 177.038 176.094 -0.008 0.000 1.039 381 V CA -0.215 62.079 62.300 -0.010 0.000 1.055 381 V CB 1.113 32.931 31.823 -0.008 0.000 0.969 381 V HN 0.865 nan 8.190 nan 0.000 0.482 382 G N 2.701 111.496 108.800 -0.007 0.000 2.453 382 G HA2 0.875 4.835 3.960 0.001 0.000 0.323 382 G HA3 0.875 4.835 3.960 0.001 0.000 0.323 382 G C -0.695 174.202 174.900 -0.005 0.000 1.198 382 G CA 0.009 45.105 45.100 -0.006 0.000 0.959 382 G HN 1.260 nan 8.290 nan 0.000 0.482 383 A N -0.627 122.191 122.820 -0.004 0.000 2.515 383 A HA 0.753 5.073 4.320 0.001 0.000 0.292 383 A C 0.511 178.094 177.584 -0.003 0.000 1.065 383 A CA 0.348 52.383 52.037 -0.003 0.000 0.641 383 A CB 0.330 19.328 19.000 -0.002 0.000 1.306 383 A HN 1.968 nan 8.150 nan 0.000 0.441 384 A N -0.707 122.112 122.820 -0.002 0.000 2.208 384 A HA 0.536 4.857 4.320 0.001 0.000 0.209 384 A C 0.889 178.472 177.584 -0.001 0.000 1.161 384 A CA 1.759 53.795 52.037 -0.002 0.000 0.782 384 A CB -0.309 18.690 19.000 -0.002 0.000 0.816 384 A HN 2.142 nan 8.150 nan 0.000 0.477 385 T N -2.423 112.131 114.554 -0.000 0.000 2.977 385 T HA 0.205 4.556 4.350 0.001 0.000 0.345 385 T C 0.282 174.983 174.700 0.001 0.000 1.562 385 T CA -0.126 61.974 62.100 0.001 0.000 1.090 385 T CB 1.256 70.125 68.868 0.001 0.000 1.383 385 T HN 0.230 nan 8.240 nan 0.000 0.484 386 E N 1.824 122.024 120.200 0.001 0.000 2.160 386 E HA -0.108 4.243 4.350 0.001 0.000 0.195 386 E C 1.707 178.309 176.600 0.003 0.000 0.991 386 E CA 1.627 58.028 56.400 0.002 0.000 0.810 386 E CB 0.065 29.767 29.700 0.002 0.000 0.742 386 E HN 0.543 nan 8.360 nan 0.000 0.466 387 V N 0.906 120.823 119.914 0.004 0.000 2.358 387 V HA -0.220 3.900 4.120 0.001 0.000 0.246 387 V C 2.368 178.465 176.094 0.005 0.000 1.047 387 V CA 2.129 64.432 62.300 0.006 0.000 1.035 387 V CB -0.504 31.323 31.823 0.006 0.000 0.658 387 V HN 0.316 nan 8.190 nan 0.000 0.452 388 E N -0.268 119.934 120.200 0.003 0.000 2.107 388 E HA -0.217 4.134 4.350 0.001 0.000 0.191 388 E C 2.246 178.847 176.600 0.001 0.000 0.982 388 E CA 1.202 57.603 56.400 0.002 0.000 0.809 388 E CB -0.102 29.599 29.700 0.001 0.000 0.756 388 E HN 0.560 nan 8.360 nan 0.000 0.459 389 M N 0.584 120.184 119.600 0.001 0.000 2.065 389 M HA -0.213 4.268 4.480 0.001 0.000 0.259 389 M C 1.916 178.217 176.300 0.001 0.000 1.069 389 M CA 1.734 57.034 55.300 -0.000 0.000 1.110 389 M CB 0.026 32.626 32.600 -0.001 0.000 1.328 389 M HN -0.062 nan 8.290 nan 0.000 0.405 390 K N -0.403 119.999 120.400 0.003 0.000 2.155 390 K HA -0.157 4.163 4.320 0.001 0.000 0.203 390 K C 2.059 178.664 176.600 0.007 0.000 1.052 390 K CA 1.099 57.390 56.287 0.006 0.000 0.948 390 K CB -0.221 32.283 32.500 0.007 0.000 0.728 390 K HN 0.393 nan 8.250 nan 0.000 0.448 391 E N 2.029 122.233 120.200 0.007 0.000 2.028 391 E HA -0.228 4.123 4.350 0.001 0.000 0.191 391 E C 1.922 178.526 176.600 0.006 0.000 0.988 391 E CA 1.450 57.854 56.400 0.008 0.000 0.799 391 E CB 0.053 29.757 29.700 0.007 0.000 0.755 391 E HN 0.130 nan 8.360 nan 0.000 0.447 392 K N 0.827 121.229 120.400 0.003 0.000 2.044 392 K HA -0.212 4.108 4.320 0.001 0.000 0.210 392 K C 2.411 179.011 176.600 0.000 0.000 1.049 392 K CA 1.855 58.142 56.287 0.001 0.000 0.927 392 K CB -0.142 32.357 32.500 -0.002 0.000 0.713 392 K HN -0.055 nan 8.250 nan 0.000 0.443 393 K N 0.000 120.400 120.400 0.001 0.000 2.002 393 K HA -0.145 4.176 4.320 0.001 0.000 0.209 393 K C 1.998 178.602 176.600 0.007 0.000 1.048 393 K CA 1.420 57.708 56.287 0.001 0.000 0.930 393 K CB -0.245 32.256 32.500 0.001 0.000 0.714 393 K HN 0.259 nan 8.250 nan 0.000 0.438 394 A N 1.333 124.161 122.820 0.013 0.000 2.019 394 A HA -0.180 4.140 4.320 0.001 0.000 0.219 394 A C 2.100 179.699 177.584 0.025 0.000 1.164 394 A CA 1.476 53.526 52.037 0.023 0.000 0.644 394 A CB -0.445 18.568 19.000 0.021 0.000 0.805 394 A HN 0.373 nan 8.150 nan 0.000 0.449 395 R N -0.605 119.904 120.500 0.015 0.000 2.062 395 R HA -0.038 4.303 4.340 0.001 0.000 0.229 395 R C 1.915 178.220 176.300 0.009 0.000 1.128 395 R CA 1.501 57.609 56.100 0.013 0.000 0.960 395 R CB -0.330 29.974 30.300 0.007 0.000 0.855 395 R HN 0.274 nan 8.270 nan 0.000 0.432 396 V N 1.505 121.419 119.914 -0.001 0.000 2.332 396 V HA -0.247 3.873 4.120 0.001 0.000 0.248 396 V C 2.005 178.083 176.094 -0.028 0.000 1.055 396 V CA 2.046 64.337 62.300 -0.016 0.000 1.038 396 V CB -0.493 31.317 31.823 -0.021 0.000 0.651 396 V HN 0.425 nan 8.190 nan 0.000 0.450 397 E N -0.051 120.141 120.200 -0.013 0.000 2.023 397 E HA -0.242 4.108 4.350 0.001 0.000 0.196 397 E C 2.060 178.678 176.600 0.030 0.000 1.003 397 E CA 1.668 58.057 56.400 -0.019 0.000 0.809 397 E CB -0.228 29.503 29.700 0.052 0.000 0.755 397 E HN 0.635 nan 8.360 nan 0.000 0.449 398 D N 0.008 120.478 120.400 0.116 0.000 2.178 398 D HA -0.092 4.549 4.640 0.001 0.000 0.202 398 D C 1.855 178.213 176.300 0.096 0.000 0.974 398 D CA 0.885 54.987 54.000 0.171 0.000 0.841 398 D CB 0.064 40.930 40.800 0.110 0.000 0.953 398 D HN 0.129 nan 8.370 nan 0.000 0.478 399 A N 1.140 123.981 122.820 0.036 0.000 1.969 399 A HA -0.097 4.223 4.320 0.001 0.000 0.218 399 A C 2.205 179.781 177.584 -0.013 0.000 1.169 399 A CA 0.566 52.610 52.037 0.013 0.000 0.635 399 A CB -0.548 18.453 19.000 0.001 0.000 0.810 399 A HN 0.214 nan 8.150 nan 0.000 0.445 400 L N -1.452 119.730 121.223 -0.067 0.000 2.072 400 L HA -0.134 4.206 4.340 0.001 0.000 0.205 400 L C 2.621 179.413 176.870 -0.130 0.000 1.079 400 L CA 1.288 56.049 54.840 -0.130 0.000 0.752 400 L CB -0.430 41.502 42.059 -0.211 0.000 0.906 400 L HN 0.459 nan 8.230 nan 0.000 0.436 401 H N -0.208 118.863 119.070 0.001 0.000 2.319 401 H HA -0.135 4.422 4.556 0.001 0.000 0.299 401 H C 2.221 177.552 175.328 0.005 0.000 1.092 401 H CA 1.450 57.499 56.048 0.002 0.000 1.302 401 H CB -0.367 29.398 29.762 0.006 0.000 1.373 401 H HN 0.510 nan 8.280 nan 0.000 0.497 402 A N 0.531 123.424 122.820 0.121 0.000 1.902 402 A HA -0.174 4.146 4.320 0.001 0.000 0.217 402 A C 2.659 180.266 177.584 0.039 0.000 1.181 402 A CA 2.171 54.248 52.037 0.068 0.000 0.623 402 A CB -0.918 18.114 19.000 0.052 0.000 0.818 402 A HN 0.421 nan 8.150 nan 0.000 0.443 403 T N -0.398 114.168 114.554 0.021 0.000 2.684 403 T HA -0.151 4.199 4.350 0.001 0.000 0.267 403 T C 2.057 176.762 174.700 0.009 0.000 1.036 403 T CA 1.553 63.656 62.100 0.005 0.000 1.148 403 T CB -0.242 68.619 68.868 -0.012 0.000 0.863 403 T HN 0.477 nan 8.240 nan 0.000 0.436 404 R N 0.625 121.133 120.500 0.014 0.000 2.148 404 R HA 0.100 4.440 4.340 0.001 0.000 0.227 404 R C 2.747 179.066 176.300 0.032 0.000 1.103 404 R CA 0.954 57.066 56.100 0.021 0.000 0.983 404 R CB -0.363 29.951 30.300 0.025 0.000 0.874 404 R HN 0.367 nan 8.270 nan 0.000 0.451 405 A N 1.234 124.080 122.820 0.044 0.000 1.902 405 A HA -0.111 4.209 4.320 0.001 0.000 0.217 405 A C 2.360 179.956 177.584 0.020 0.000 1.181 405 A CA 1.635 53.693 52.037 0.035 0.000 0.623 405 A CB -0.535 18.491 19.000 0.044 0.000 0.818 405 A HN 0.370 nan 8.150 nan 0.000 0.443 406 A N -0.487 122.343 122.820 0.017 0.000 1.908 406 A HA -0.048 4.272 4.320 0.001 0.000 0.218 406 A C 2.122 179.709 177.584 0.006 0.000 1.181 406 A CA 1.767 53.809 52.037 0.008 0.000 0.627 406 A CB -1.039 17.965 19.000 0.007 0.000 0.818 406 A HN 0.465 nan 8.150 nan 0.000 0.445 407 V N 0.443 120.361 119.914 0.007 0.000 2.828 407 V HA -0.226 3.895 4.120 0.001 0.000 0.260 407 V C 1.837 177.935 176.094 0.006 0.000 1.101 407 V CA 2.030 64.333 62.300 0.005 0.000 1.123 407 V CB -0.830 30.996 31.823 0.004 0.000 0.704 407 V HN 0.620 nan 8.190 nan 0.000 0.493 408 E N 0.088 120.293 120.200 0.008 0.000 2.463 408 E HA 0.029 4.379 4.350 0.001 0.000 0.193 408 E C 0.993 177.595 176.600 0.003 0.000 1.041 408 E CA 0.469 56.873 56.400 0.007 0.000 0.879 408 E CB 0.215 29.921 29.700 0.010 0.000 0.997 408 E HN 0.903 nan 8.360 nan 0.000 0.478 409 E N -1.413 118.787 120.200 0.001 0.000 2.422 409 E HA 0.176 4.527 4.350 0.001 0.000 0.146 409 E C 0.626 177.225 176.600 -0.002 0.000 0.861 409 E CA 0.024 56.423 56.400 -0.002 0.000 1.354 409 E CB -0.016 29.680 29.700 -0.007 0.000 1.294 409 E HN 0.130 nan 8.360 nan 0.000 0.586 410 G N 0.826 109.626 108.800 -0.001 0.000 2.512 410 G HA2 -0.041 3.920 3.960 0.001 0.000 0.210 410 G HA3 -0.041 3.920 3.960 0.001 0.000 0.210 410 G C -0.466 174.433 174.900 -0.001 0.000 1.295 410 G CA -0.268 44.831 45.100 -0.000 0.000 0.934 410 G HN 0.957 nan 8.290 nan 0.000 0.554 411 V N -2.154 117.760 119.914 -0.000 0.000 2.823 411 V HA 0.938 5.058 4.120 0.001 0.000 0.312 411 V C 0.660 176.755 176.094 0.001 0.000 1.072 411 V CA -0.001 62.299 62.300 -0.000 0.000 0.937 411 V CB 1.191 33.014 31.823 -0.000 0.000 1.013 411 V HN 2.340 nan 8.190 nan 0.000 0.430 412 V N 0.770 120.685 119.914 0.002 0.000 2.975 412 V HA 0.975 5.095 4.120 0.001 0.000 0.318 412 V C 0.752 176.850 176.094 0.007 0.000 1.077 412 V CA -0.423 61.880 62.300 0.005 0.000 1.000 412 V CB 1.333 33.158 31.823 0.004 0.000 1.066 412 V HN 1.990 nan 8.190 nan 0.000 0.452 413 A N 1.765 124.592 122.820 0.013 0.000 2.537 413 A HA 0.585 4.905 4.320 0.001 0.000 0.260 413 A C 0.816 178.410 177.584 0.016 0.000 1.082 413 A CA 0.598 52.645 52.037 0.016 0.000 0.765 413 A CB -0.939 18.077 19.000 0.027 0.000 1.019 413 A HN 1.783 nan 8.150 nan 0.000 0.507 414 G N 0.920 109.726 108.800 0.010 0.000 2.531 414 G HA2 0.538 4.498 3.960 0.001 0.000 0.281 414 G HA3 0.538 4.498 3.960 0.001 0.000 0.281 414 G C 1.110 176.016 174.900 0.010 0.000 1.382 414 G CA -0.149 44.956 45.100 0.007 0.000 1.045 414 G HN 2.156 nan 8.290 nan 0.000 0.533 415 G N -2.124 106.680 108.800 0.007 0.000 2.187 415 G HA2 0.196 4.156 3.960 0.001 0.000 0.261 415 G HA3 0.196 4.156 3.960 0.001 0.000 0.261 415 G C 1.523 176.436 174.900 0.021 0.000 1.000 415 G CA 1.284 46.391 45.100 0.012 0.000 0.718 415 G HN 2.509 nan 8.290 nan 0.000 0.519 416 G N -2.533 106.279 108.800 0.019 0.000 2.179 416 G HA2 -0.183 3.778 3.960 0.001 0.000 0.260 416 G HA3 -0.183 3.778 3.960 0.001 0.000 0.260 416 G C 1.491 176.408 174.900 0.028 0.000 0.977 416 G CA 1.470 46.583 45.100 0.021 0.000 0.641 416 G HN 1.660 nan 8.290 nan 0.000 0.533 417 V N 0.730 120.665 119.914 0.034 0.000 2.407 417 V HA 0.109 4.230 4.120 0.001 0.000 0.248 417 V C 3.068 179.187 176.094 0.041 0.000 1.055 417 V CA 2.985 65.313 62.300 0.048 0.000 1.049 417 V CB -0.604 31.257 31.823 0.063 0.000 0.662 417 V HN 1.139 nan 8.190 nan 0.000 0.455 418 A N -0.332 122.507 122.820 0.031 0.000 1.883 418 A HA -0.228 4.093 4.320 0.001 0.000 0.217 418 A C 2.143 179.739 177.584 0.020 0.000 1.186 418 A CA 2.264 54.316 52.037 0.024 0.000 0.624 418 A CB -0.784 18.226 19.000 0.017 0.000 0.822 418 A HN 0.538 nan 8.150 nan 0.000 0.444 419 L N 0.043 121.275 121.223 0.016 0.000 2.012 419 L HA -0.165 4.176 4.340 0.001 0.000 0.210 419 L C 2.304 179.185 176.870 0.017 0.000 1.073 419 L CA 1.877 56.724 54.840 0.012 0.000 0.748 419 L CB -0.396 41.669 42.059 0.009 0.000 0.891 419 L HN 0.467 nan 8.230 nan 0.000 0.431 420 I N -0.837 119.747 120.570 0.024 0.000 2.194 420 I HA -0.320 3.850 4.170 0.001 0.000 0.246 420 I C 2.381 178.514 176.117 0.026 0.000 1.093 420 I CA 0.852 62.169 61.300 0.028 0.000 1.355 420 I CB -0.460 37.562 38.000 0.038 0.000 1.046 420 I HN 0.271 nan 8.210 nan 0.000 0.413 421 R N 0.536 121.052 120.500 0.028 0.000 2.120 421 R HA -0.103 4.237 4.340 0.001 0.000 0.234 421 R C 2.283 178.592 176.300 0.016 0.000 1.123 421 R CA 1.496 57.610 56.100 0.024 0.000 0.975 421 R CB -1.429 28.887 30.300 0.027 0.000 0.866 421 R HN 0.495 nan 8.270 nan 0.000 0.446 422 V N -0.896 119.026 119.914 0.013 0.000 2.667 422 V HA 0.065 4.185 4.120 0.001 0.000 0.252 422 V C 2.119 178.218 176.094 0.008 0.000 1.065 422 V CA 1.551 63.856 62.300 0.009 0.000 1.083 422 V CB -0.578 31.248 31.823 0.006 0.000 0.692 422 V HN 0.156 nan 8.190 nan 0.000 0.468 423 A N 1.560 124.386 122.820 0.010 0.000 1.972 423 A HA -0.120 4.201 4.320 0.001 0.000 0.219 423 A C 2.522 180.111 177.584 0.008 0.000 1.169 423 A CA 2.379 54.421 52.037 0.010 0.000 0.635 423 A CB -0.923 18.084 19.000 0.012 0.000 0.810 423 A HN 0.879 nan 8.150 nan 0.000 0.446 424 S N 0.327 116.033 115.700 0.009 0.000 2.357 424 S HA -0.145 4.325 4.470 0.001 0.000 0.221 424 S C 1.833 176.436 174.600 0.005 0.000 1.031 424 S CA 1.262 59.466 58.200 0.007 0.000 0.982 424 S CB -0.434 62.770 63.200 0.007 0.000 0.853 424 S HN 0.593 nan 8.310 nan 0.000 0.458 425 K N 1.183 121.586 120.400 0.006 0.000 2.113 425 K HA 0.022 4.342 4.320 0.001 0.000 0.208 425 K C 1.396 177.998 176.600 0.003 0.000 1.047 425 K CA 1.193 57.483 56.287 0.004 0.000 0.928 425 K CB -0.481 32.022 32.500 0.005 0.000 0.716 425 K HN 0.398 nan 8.250 nan 0.000 0.446 426 L N 0.105 121.330 121.223 0.004 0.000 2.653 426 L HA 0.153 4.494 4.340 0.001 0.000 0.232 426 L C 1.890 178.762 176.870 0.003 0.000 1.169 426 L CA -0.419 54.423 54.840 0.003 0.000 0.951 426 L CB -0.100 41.961 42.059 0.003 0.000 1.181 426 L HN 0.109 nan 8.230 nan 0.000 0.460 427 A N 0.400 123.222 122.820 0.003 0.000 1.865 427 A HA -0.209 4.112 4.320 0.001 0.000 0.217 427 A C 1.785 179.370 177.584 0.002 0.000 1.191 427 A CA 1.800 53.839 52.037 0.002 0.000 0.623 427 A CB -0.243 18.757 19.000 0.002 0.000 0.826 427 A HN 0.357 nan 8.150 nan 0.000 0.444 428 D N -0.837 119.563 120.400 0.001 0.000 2.349 428 D HA 0.104 4.745 4.640 0.001 0.000 0.224 428 D C 0.191 176.492 176.300 0.002 0.000 1.029 428 D CA -0.057 53.944 54.000 0.001 0.000 0.879 428 D CB -0.146 40.654 40.800 0.000 0.000 0.906 428 D HN 0.303 nan 8.370 nan 0.000 0.528 429 L N 1.824 123.048 121.223 0.002 0.000 2.455 429 L HA 0.063 4.403 4.340 0.001 0.000 0.272 429 L C 0.190 177.061 176.870 0.003 0.000 1.174 429 L CA 0.547 55.388 54.840 0.002 0.000 0.869 429 L CB 0.253 42.314 42.059 0.003 0.000 1.130 429 L HN -0.243 nan 8.230 nan 0.000 0.474 430 R N 3.086 123.587 120.500 0.003 0.000 2.888 430 R HA 0.697 5.038 4.340 0.001 0.000 0.266 430 R C -0.133 176.169 176.300 0.003 0.000 1.020 430 R CA -0.358 55.744 56.100 0.003 0.000 0.963 430 R CB 1.448 31.749 30.300 0.003 0.000 1.197 430 R HN 0.804 nan 8.270 nan 0.000 0.481 431 G N -0.289 108.514 108.800 0.004 0.000 2.857 431 G HA2 0.190 4.151 3.960 0.001 0.000 0.217 431 G HA3 0.190 4.151 3.960 0.001 0.000 0.217 431 G C 0.244 175.146 174.900 0.004 0.000 1.357 431 G CA -0.214 44.889 45.100 0.004 0.000 1.033 431 G HN 0.425 nan 8.290 nan 0.000 0.571 432 Q N -0.412 119.390 119.800 0.004 0.000 2.079 432 Q HA 0.006 4.347 4.340 0.001 0.000 0.200 432 Q C 0.456 176.458 176.000 0.004 0.000 0.974 432 Q CA 1.342 57.147 55.803 0.004 0.000 0.840 432 Q CB -0.005 28.736 28.738 0.005 0.000 0.898 432 Q HN 0.623 nan 8.270 nan 0.000 0.430 433 N N -1.778 116.924 118.700 0.005 0.000 2.774 433 N HA 0.058 4.799 4.740 0.001 0.000 0.264 433 N C -0.125 175.388 175.510 0.005 0.000 1.415 433 N CA -0.481 52.572 53.050 0.005 0.000 0.815 433 N CB 0.708 39.198 38.487 0.005 0.000 1.514 433 N HN -0.282 nan 8.380 nan 0.000 0.523 434 E N -0.205 119.997 120.200 0.005 0.000 2.150 434 E HA -0.077 4.274 4.350 0.001 0.000 0.193 434 E C 0.226 176.829 176.600 0.006 0.000 0.985 434 E CA 1.422 57.825 56.400 0.005 0.000 0.814 434 E CB -0.324 29.379 29.700 0.005 0.000 0.752 434 E HN 0.673 nan 8.360 nan 0.000 0.466 435 D N -0.229 120.174 120.400 0.006 0.000 2.149 435 D HA -0.179 4.462 4.640 0.001 0.000 0.198 435 D C 1.792 178.096 176.300 0.008 0.000 0.990 435 D CA 1.135 55.139 54.000 0.008 0.000 0.839 435 D CB -0.061 40.744 40.800 0.008 0.000 0.948 435 D HN 0.264 nan 8.370 nan 0.000 0.460 436 Q N -0.106 119.698 119.800 0.007 0.000 2.123 436 Q HA -0.072 4.269 4.340 0.001 0.000 0.199 436 Q C 1.694 177.698 176.000 0.006 0.000 0.966 436 Q CA 0.682 56.489 55.803 0.007 0.000 0.845 436 Q CB 0.036 28.778 28.738 0.006 0.000 0.907 436 Q HN 0.280 nan 8.270 nan 0.000 0.439 437 N N 0.197 118.900 118.700 0.006 0.000 2.084 437 N HA -0.133 4.608 4.740 0.001 0.000 0.190 437 N C 1.868 177.382 175.510 0.006 0.000 1.030 437 N CA 1.106 54.159 53.050 0.005 0.000 0.849 437 N CB -0.403 38.086 38.487 0.005 0.000 1.012 437 N HN 0.046 nan 8.380 nan 0.000 0.423 438 V N 0.916 120.834 119.914 0.006 0.000 2.407 438 V HA -0.146 3.975 4.120 0.001 0.000 0.248 438 V C 2.422 178.521 176.094 0.008 0.000 1.055 438 V CA 1.963 64.268 62.300 0.007 0.000 1.049 438 V CB -1.239 30.589 31.823 0.008 0.000 0.662 438 V HN 0.353 nan 8.190 nan 0.000 0.455 439 G N 0.087 108.892 108.800 0.008 0.000 2.421 439 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 439 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 439 G C 1.567 176.473 174.900 0.009 0.000 1.171 439 G CA 1.115 46.220 45.100 0.009 0.000 0.775 439 G HN 0.482 nan 8.290 nan 0.000 0.543 440 I N 0.276 120.850 120.570 0.008 0.000 2.118 440 I HA -0.152 4.019 4.170 0.001 0.000 0.241 440 I C 2.170 178.291 176.117 0.007 0.000 1.070 440 I CA 1.228 62.532 61.300 0.007 0.000 1.327 440 I CB -0.078 37.925 38.000 0.006 0.000 1.034 440 I HN -0.017 nan 8.210 nan 0.000 0.405 441 K N 0.185 120.589 120.400 0.007 0.000 2.569 441 K HA 0.067 4.388 4.320 0.001 0.000 0.193 441 K C 1.250 177.855 176.600 0.008 0.000 1.026 441 K CA 0.273 56.565 56.287 0.007 0.000 1.093 441 K CB -0.064 32.440 32.500 0.006 0.000 0.849 441 K HN 0.168 nan 8.250 nan 0.000 0.509 442 V N -0.832 119.088 119.914 0.009 0.000 2.690 442 V HA 0.048 4.169 4.120 0.001 0.000 0.240 442 V C 1.938 178.039 176.094 0.011 0.000 1.078 442 V CA 1.282 63.589 62.300 0.011 0.000 1.102 442 V CB 0.057 31.887 31.823 0.011 0.000 0.800 442 V HN 0.273 nan 8.190 nan 0.000 0.479 443 A N 0.350 123.176 122.820 0.011 0.000 1.865 443 A HA -0.175 4.146 4.320 0.001 0.000 0.217 443 A C 2.120 179.710 177.584 0.010 0.000 1.191 443 A CA 1.921 53.964 52.037 0.010 0.000 0.623 443 A CB -0.660 18.345 19.000 0.009 0.000 0.826 443 A HN 0.480 nan 8.150 nan 0.000 0.444 444 L N -1.359 119.869 121.223 0.009 0.000 2.131 444 L HA -0.144 4.196 4.340 0.001 0.000 0.210 444 L C 2.739 179.615 176.870 0.010 0.000 1.092 444 L CA 1.366 56.211 54.840 0.009 0.000 0.759 444 L CB -0.527 41.536 42.059 0.008 0.000 0.903 444 L HN 0.409 nan 8.230 nan 0.000 0.435 445 R N 0.403 120.909 120.500 0.011 0.000 2.127 445 R HA -0.161 4.179 4.340 0.001 0.000 0.238 445 R C 2.235 178.543 176.300 0.013 0.000 1.134 445 R CA 1.313 57.419 56.100 0.012 0.000 0.975 445 R CB -0.155 30.151 30.300 0.011 0.000 0.865 445 R HN 0.372 nan 8.270 nan 0.000 0.447 446 A N -0.006 122.822 122.820 0.014 0.000 2.119 446 A HA -0.062 4.258 4.320 0.001 0.000 0.216 446 A C 1.917 179.510 177.584 0.016 0.000 1.152 446 A CA 0.681 52.727 52.037 0.015 0.000 0.708 446 A CB -0.204 18.805 19.000 0.016 0.000 0.805 446 A HN 0.270 nan 8.150 nan 0.000 0.460 447 M N -0.715 118.894 119.600 0.015 0.000 2.374 447 M HA -0.093 4.387 4.480 0.001 0.000 0.264 447 M C 1.397 177.709 176.300 0.019 0.000 1.067 447 M CA 1.069 56.378 55.300 0.015 0.000 1.103 447 M CB -0.221 32.387 32.600 0.014 0.000 1.402 447 M HN 0.439 nan 8.290 nan 0.000 0.444 448 E N 0.285 120.498 120.200 0.021 0.000 2.481 448 E HA 0.028 4.379 4.350 0.001 0.000 0.195 448 E C 1.982 178.597 176.600 0.024 0.000 1.047 448 E CA 0.339 56.754 56.400 0.024 0.000 0.867 448 E CB 0.097 29.811 29.700 0.024 0.000 0.858 448 E HN 0.460 nan 8.360 nan 0.000 0.513 449 A N 2.312 125.145 122.820 0.021 0.000 1.902 449 A HA -0.108 4.213 4.320 0.001 0.000 0.217 449 A C -0.348 177.249 177.584 0.022 0.000 1.181 449 A CA 1.073 53.122 52.037 0.021 0.000 0.623 449 A CB -1.288 17.723 19.000 0.019 0.000 0.818 449 A HN 0.128 nan 8.150 nan 0.000 0.443 450 P HA -0.172 nan 4.420 nan 0.000 0.214 450 P C 1.847 179.161 177.300 0.025 0.000 1.163 450 P CA 0.855 63.968 63.100 0.022 0.000 0.883 450 P CB -0.154 31.558 31.700 0.020 0.000 0.788 451 L N 0.065 121.306 121.223 0.029 0.000 1.989 451 L HA -0.175 4.165 4.340 0.001 0.000 0.211 451 L C 2.161 179.054 176.870 0.038 0.000 1.071 451 L CA 2.173 57.036 54.840 0.038 0.000 0.749 451 L CB -1.021 41.065 42.059 0.046 0.000 0.890 451 L HN -0.048 nan 8.230 nan 0.000 0.431 452 R N -0.810 119.710 120.500 0.033 0.000 2.120 452 R HA -0.163 4.178 4.340 0.001 0.000 0.234 452 R C 2.170 178.486 176.300 0.027 0.000 1.123 452 R CA 1.171 57.289 56.100 0.030 0.000 0.975 452 R CB -0.104 30.211 30.300 0.025 0.000 0.866 452 R HN 0.529 nan 8.270 nan 0.000 0.446 453 Q N 0.370 120.185 119.800 0.024 0.000 2.172 453 Q HA -0.037 4.303 4.340 0.001 0.000 0.200 453 Q C 2.165 178.177 176.000 0.021 0.000 0.964 453 Q CA 1.085 56.901 55.803 0.021 0.000 0.855 453 Q CB -0.003 28.747 28.738 0.019 0.000 0.918 453 Q HN 0.411 nan 8.270 nan 0.000 0.444 454 I N -0.046 120.537 120.570 0.023 0.000 2.179 454 I HA -0.247 3.924 4.170 0.001 0.000 0.242 454 I C 2.190 178.324 176.117 0.029 0.000 1.088 454 I CA 0.928 62.241 61.300 0.022 0.000 1.357 454 I CB -0.280 37.733 38.000 0.021 0.000 1.051 454 I HN -0.047 nan 8.210 nan 0.000 0.409 455 V N 0.446 120.385 119.914 0.041 0.000 2.515 455 V HA -0.224 3.897 4.120 0.001 0.000 0.250 455 V C 2.287 178.404 176.094 0.038 0.000 1.058 455 V CA 1.216 63.548 62.300 0.053 0.000 1.064 455 V CB -0.438 31.423 31.823 0.063 0.000 0.675 455 V HN 0.344 nan 8.190 nan 0.000 0.461 456 L N 0.582 121.822 121.223 0.029 0.000 2.056 456 L HA -0.106 4.235 4.340 0.001 0.000 0.207 456 L C 2.195 179.077 176.870 0.019 0.000 1.078 456 L CA 1.853 56.706 54.840 0.022 0.000 0.749 456 L CB -0.947 41.123 42.059 0.019 0.000 0.901 456 L HN 0.300 nan 8.230 nan 0.000 0.433 457 N N -0.867 117.843 118.700 0.017 0.000 2.149 457 N HA -0.225 4.515 4.740 0.001 0.000 0.188 457 N C 1.796 177.313 175.510 0.012 0.000 1.019 457 N CA 1.867 54.924 53.050 0.012 0.000 0.857 457 N CB -0.278 38.215 38.487 0.009 0.000 0.997 457 N HN 0.462 nan 8.380 nan 0.000 0.426 458 C N -0.240 119.070 119.300 0.017 0.000 2.419 458 C HA -0.001 4.460 4.460 0.001 0.000 0.281 458 C C 1.714 176.715 174.990 0.019 0.000 1.336 458 C CA 0.810 59.838 59.018 0.017 0.000 1.770 458 C CB -1.164 26.595 27.740 0.031 0.000 1.929 458 C HN 0.696 nan 8.230 nan 0.000 0.509 459 G N 0.688 109.500 108.800 0.021 0.000 2.140 459 G HA2 -0.140 3.820 3.960 0.001 0.000 0.211 459 G HA3 -0.140 3.820 3.960 0.001 0.000 0.211 459 G C -0.412 174.503 174.900 0.025 0.000 1.013 459 G CA 0.097 45.209 45.100 0.020 0.000 0.705 459 G HN 0.629 nan 8.290 nan 0.000 0.508 460 E N -0.441 119.778 120.200 0.032 0.000 2.416 460 E HA 0.365 4.715 4.350 0.001 0.000 0.273 460 E C -0.625 175.994 176.600 0.032 0.000 0.935 460 E CA -1.040 55.382 56.400 0.038 0.000 0.784 460 E CB 1.477 31.212 29.700 0.058 0.000 1.301 460 E HN 0.273 nan 8.360 nan 0.000 0.454 461 E N 2.093 122.308 120.200 0.025 0.000 2.161 461 E HA 0.025 4.376 4.350 0.001 0.000 0.263 461 E C -1.799 174.809 176.600 0.014 0.000 1.185 461 E CA -1.280 55.130 56.400 0.017 0.000 0.938 461 E CB 0.403 30.110 29.700 0.012 0.000 1.023 461 E HN 0.195 nan 8.360 nan 0.000 0.433 462 P HA -0.180 nan 4.420 nan 0.000 0.218 462 P C 1.458 178.766 177.300 0.014 0.000 1.149 462 P CA 0.985 64.097 63.100 0.020 0.000 0.817 462 P CB 0.223 31.936 31.700 0.022 0.000 0.785 463 S N -0.760 114.946 115.700 0.011 0.000 2.365 463 S HA -0.160 4.311 4.470 0.001 0.000 0.225 463 S C 1.994 176.596 174.600 0.003 0.000 1.039 463 S CA 1.708 59.913 58.200 0.008 0.000 1.033 463 S CB -1.853 61.350 63.200 0.005 0.000 0.887 463 S HN -0.025 nan 8.310 nan 0.000 0.447 464 V N 1.783 121.695 119.914 -0.003 0.000 2.270 464 V HA -0.120 4.001 4.120 0.001 0.000 0.245 464 V C 2.678 178.761 176.094 -0.017 0.000 1.043 464 V CA 1.666 63.958 62.300 -0.012 0.000 1.014 464 V CB -0.894 30.920 31.823 -0.015 0.000 0.645 464 V HN 0.450 nan 8.190 nan 0.000 0.447 465 V N 0.422 120.314 119.914 -0.037 0.000 2.343 465 V HA -0.233 3.887 4.120 0.001 0.000 0.247 465 V C 2.736 178.846 176.094 0.027 0.000 1.051 465 V CA 1.912 64.172 62.300 -0.066 0.000 1.036 465 V CB -1.220 30.534 31.823 -0.114 0.000 0.654 465 V HN 0.546 nan 8.190 nan 0.000 0.451 466 A N 0.380 123.218 122.820 0.031 0.000 1.908 466 A HA -0.241 4.080 4.320 0.001 0.000 0.218 466 A C 2.088 179.702 177.584 0.050 0.000 1.181 466 A CA 2.138 54.203 52.037 0.046 0.000 0.627 466 A CB -0.597 18.422 19.000 0.033 0.000 0.818 466 A HN 0.623 nan 8.150 nan 0.000 0.445 467 N N -0.660 118.058 118.700 0.030 0.000 2.376 467 N HA -0.098 4.643 4.740 0.001 0.000 0.177 467 N C 1.908 177.426 175.510 0.013 0.000 1.024 467 N CA 1.702 54.762 53.050 0.016 0.000 0.893 467 N CB -0.280 38.206 38.487 -0.002 0.000 0.980 467 N HN 0.738 nan 8.380 nan 0.000 0.439 468 T N -0.853 113.715 114.554 0.024 0.000 2.737 468 T HA -0.037 4.314 4.350 0.001 0.000 0.265 468 T C 2.217 177.036 174.700 0.199 0.000 1.038 468 T CA 0.867 62.978 62.100 0.018 0.000 1.144 468 T CB -0.821 67.999 68.868 -0.079 0.000 0.866 468 T HN -0.155 nan 8.240 nan 0.000 0.434 469 V N 2.100 122.192 119.914 0.297 0.000 2.332 469 V HA -0.193 3.928 4.120 0.001 0.000 0.248 469 V C 2.798 179.045 176.094 0.255 0.000 1.055 469 V CA 1.975 64.496 62.300 0.369 0.000 1.038 469 V CB -0.650 31.315 31.823 0.236 0.000 0.651 469 V HN 0.531 nan 8.190 nan 0.000 0.450 470 K N -0.110 120.366 120.400 0.126 0.000 2.148 470 K HA -0.059 4.261 4.320 0.001 0.000 0.204 470 K C 2.220 178.823 176.600 0.006 0.000 1.050 470 K CA 1.219 57.543 56.287 0.063 0.000 0.942 470 K CB -0.485 32.037 32.500 0.036 0.000 0.724 470 K HN 0.571 nan 8.250 nan 0.000 0.446 471 G N 1.248 110.026 108.800 -0.037 0.000 2.394 471 G HA2 -0.100 3.860 3.960 0.001 0.000 0.214 471 G HA3 -0.100 3.860 3.960 0.001 0.000 0.214 471 G C 0.741 175.497 174.900 -0.240 0.000 1.176 471 G CA 0.518 45.545 45.100 -0.121 0.000 0.786 471 G HN 0.364 nan 8.290 nan 0.000 0.533 472 G N 0.227 108.742 108.800 -0.476 0.000 2.544 472 G HA2 0.412 4.372 3.960 0.001 0.000 0.242 472 G HA3 0.412 4.372 3.960 0.001 0.000 0.242 472 G C -0.790 173.943 174.900 -0.278 0.000 1.247 472 G CA -0.369 44.222 45.100 -0.849 0.000 0.840 472 G HN 0.182 nan 8.290 nan 0.000 0.578 473 D N 0.352 120.659 120.400 -0.156 0.000 2.225 473 D HA 0.443 5.083 4.640 0.001 0.000 0.249 473 D C 1.323 177.670 176.300 0.079 0.000 1.052 473 D CA 0.794 54.784 54.000 -0.017 0.000 0.909 473 D CB 1.470 42.253 40.800 -0.027 0.000 1.186 473 D HN 0.673 nan 8.370 nan 0.000 0.431 474 G N 3.161 112.001 108.800 0.066 0.000 2.686 474 G HA2 -0.436 3.525 3.960 0.001 0.000 0.329 474 G HA3 -0.436 3.525 3.960 0.001 0.000 0.329 474 G C 0.794 175.753 174.900 0.099 0.000 1.187 474 G CA 0.719 45.861 45.100 0.070 0.000 0.965 474 G HN 0.655 nan 8.290 nan 0.000 0.549 475 N N -0.037 118.725 118.700 0.102 0.000 2.461 475 N HA 0.187 4.928 4.740 0.001 0.000 0.188 475 N C 0.728 176.321 175.510 0.139 0.000 1.134 475 N CA 0.035 53.143 53.050 0.097 0.000 0.878 475 N CB 0.161 38.688 38.487 0.067 0.000 0.972 475 N HN 0.508 nan 8.380 nan 0.000 0.456 476 Y N 1.452 121.782 120.300 0.051 0.000 2.683 476 Y HA 0.168 4.718 4.550 0.001 0.000 0.340 476 Y C 0.859 176.822 175.900 0.104 0.000 1.245 476 Y CA 0.787 58.934 58.100 0.078 0.000 1.485 476 Y CB 0.314 38.817 38.460 0.071 0.000 1.328 476 Y HN 0.018 nan 8.280 nan 0.000 0.603 477 G N 2.920 111.478 108.800 -0.404 0.000 2.500 477 G HA2 0.251 4.212 3.960 0.001 0.000 0.299 477 G HA3 0.251 4.212 3.960 0.001 0.000 0.299 477 G C -2.530 172.248 174.900 -0.203 0.000 1.242 477 G CA -0.829 44.164 45.100 -0.178 0.000 0.859 477 G HN 0.571 nan 8.290 nan 0.000 0.481 478 Y N 1.294 121.436 120.300 -0.264 0.000 2.373 478 Y HA 0.600 5.150 4.550 0.001 0.000 0.336 478 Y C -0.310 175.411 175.900 -0.299 0.000 0.979 478 Y CA -1.621 56.215 58.100 -0.439 0.000 1.080 478 Y CB 1.907 40.062 38.460 -0.509 0.000 1.190 478 Y HN 0.439 nan 8.280 nan 0.000 0.446 479 N N 4.716 123.037 118.700 -0.631 0.000 2.549 479 N HA 0.113 4.853 4.740 0.001 0.000 0.267 479 N C 0.671 175.618 175.510 -0.938 0.000 1.182 479 N CA 0.734 53.435 53.050 -0.581 0.000 1.019 479 N CB 0.781 39.037 38.487 -0.386 0.000 1.380 479 N HN 0.856 nan 8.380 nan 0.000 0.505 480 A N 3.050 125.439 122.820 -0.718 0.000 2.125 480 A HA -0.050 4.271 4.320 0.001 0.000 0.219 480 A C 2.030 179.428 177.584 -0.310 0.000 1.156 480 A CA 1.560 53.287 52.037 -0.517 0.000 0.671 480 A CB -0.295 18.645 19.000 -0.101 0.000 0.794 480 A HN 0.659 nan 8.150 nan 0.000 0.459 481 A N -0.337 122.323 122.820 -0.266 0.000 1.855 481 A HA -0.017 4.303 4.320 0.001 0.000 0.213 481 A C 2.396 179.878 177.584 -0.171 0.000 1.195 481 A CA 2.169 54.105 52.037 -0.169 0.000 0.610 481 A CB -1.083 17.839 19.000 -0.130 0.000 0.837 481 A HN 0.723 nan 8.150 nan 0.000 0.444 482 T N -3.686 110.738 114.554 -0.216 0.000 3.067 482 T HA 0.191 4.542 4.350 0.001 0.000 0.257 482 T C 0.358 174.946 174.700 -0.186 0.000 1.105 482 T CA 0.962 62.960 62.100 -0.170 0.000 1.104 482 T CB -0.192 68.587 68.868 -0.149 0.000 0.925 482 T HN 0.605 nan 8.240 nan 0.000 0.498 483 E N 0.799 120.797 120.200 -0.336 0.000 3.561 483 E HA -0.107 4.243 4.350 0.001 0.000 0.337 483 E C -0.321 176.160 176.600 -0.199 0.000 0.820 483 E CA 0.529 56.760 56.400 -0.283 0.000 1.232 483 E CB -1.780 27.903 29.700 -0.028 0.000 1.604 483 E HN 0.949 nan 8.360 nan 0.000 0.391 484 E N -0.045 119.898 120.200 -0.428 0.000 2.393 484 E HA 0.564 4.915 4.350 0.001 0.000 0.273 484 E C -1.002 175.457 176.600 -0.235 0.000 0.918 484 E CA -0.886 55.444 56.400 -0.118 0.000 0.773 484 E CB 1.306 30.980 29.700 -0.043 0.000 1.275 484 E HN 0.029 nan 8.360 nan 0.000 0.451 485 Y N -0.143 120.240 120.300 0.138 0.000 2.376 485 Y HA 0.669 5.219 4.550 0.001 0.000 0.325 485 Y C 0.945 176.787 175.900 -0.097 0.000 1.199 485 Y CA 0.748 58.873 58.100 0.041 0.000 1.206 485 Y CB 2.146 40.653 38.460 0.079 0.000 1.229 485 Y HN 0.865 nan 8.280 nan 0.000 0.480 486 G N 0.878 109.602 108.800 -0.127 0.000 2.529 486 G HA2 0.079 4.040 3.960 0.001 0.000 0.238 486 G HA3 0.079 4.040 3.960 0.001 0.000 0.238 486 G C -1.856 172.934 174.900 -0.183 0.000 1.207 486 G CA -0.861 44.178 45.100 -0.102 0.000 0.928 486 G HN 0.457 nan 8.290 nan 0.000 0.495 487 N N 0.585 119.247 118.700 -0.065 0.000 2.372 487 N HA 0.307 5.048 4.740 0.001 0.000 0.291 487 N C 1.374 176.864 175.510 -0.035 0.000 1.024 487 N CA -0.688 52.349 53.050 -0.021 0.000 0.873 487 N CB 1.590 40.098 38.487 0.036 0.000 1.206 487 N HN 0.274 nan 8.380 nan 0.000 0.486 488 M N 2.936 122.521 119.600 -0.025 0.000 2.213 488 M HA -0.088 4.392 4.480 0.001 0.000 0.263 488 M C 1.472 177.763 176.300 -0.015 0.000 1.062 488 M CA 0.842 56.127 55.300 -0.025 0.000 1.105 488 M CB -0.528 32.068 32.600 -0.006 0.000 1.385 488 M HN 0.549 nan 8.290 nan 0.000 0.417 489 I N 0.142 120.711 120.570 -0.002 0.000 2.226 489 I HA -0.255 3.916 4.170 0.001 0.000 0.245 489 I C 1.981 178.093 176.117 -0.007 0.000 1.100 489 I CA 1.397 62.697 61.300 -0.001 0.000 1.374 489 I CB -1.503 36.503 38.000 0.009 0.000 1.057 489 I HN 0.290 nan 8.210 nan 0.000 0.413 490 D N 0.454 120.849 120.400 -0.009 0.000 2.149 490 D HA -0.051 4.589 4.640 0.001 0.000 0.201 490 D C 2.209 178.494 176.300 -0.026 0.000 0.972 490 D CA 0.959 54.952 54.000 -0.012 0.000 0.835 490 D CB 0.127 40.923 40.800 -0.006 0.000 0.966 490 D HN 0.329 nan 8.370 nan 0.000 0.476 491 M N -0.407 119.170 119.600 -0.039 0.000 2.618 491 M HA 0.107 4.588 4.480 0.001 0.000 0.240 491 M C 0.849 177.119 176.300 -0.051 0.000 1.123 491 M CA 0.361 55.627 55.300 -0.057 0.000 1.060 491 M CB 0.635 33.184 32.600 -0.086 0.000 1.535 491 M HN -0.021 nan 8.290 nan 0.000 0.507 492 G N 2.448 111.226 108.800 -0.036 0.000 2.248 492 G HA2 -0.224 3.737 3.960 0.001 0.000 0.263 492 G HA3 -0.224 3.737 3.960 0.001 0.000 0.263 492 G C -0.222 174.659 174.900 -0.031 0.000 1.082 492 G CA -0.313 44.769 45.100 -0.030 0.000 0.863 492 G HN 0.539 nan 8.290 nan 0.000 0.495 493 I N 0.367 120.919 120.570 -0.029 0.000 2.502 493 I HA 0.463 4.633 4.170 0.001 0.000 0.276 493 I C 0.041 176.150 176.117 -0.013 0.000 1.057 493 I CA -0.574 60.710 61.300 -0.025 0.000 1.163 493 I CB 1.067 39.046 38.000 -0.035 0.000 1.288 493 I HN -0.006 nan 8.210 nan 0.000 0.479 494 L N 4.935 126.152 121.223 -0.009 0.000 2.404 494 L HA 0.467 4.808 4.340 0.001 0.000 0.272 494 L C -1.016 175.853 176.870 -0.002 0.000 0.980 494 L CA -0.779 54.059 54.840 -0.004 0.000 0.836 494 L CB 2.085 44.142 42.059 -0.004 0.000 1.238 494 L HN 0.379 nan 8.230 nan 0.000 0.408 495 D N 4.988 125.388 120.400 0.000 0.000 2.308 495 D HA 0.226 4.867 4.640 0.001 0.000 0.251 495 D C -2.274 174.026 176.300 0.000 0.000 1.127 495 D CA -1.381 52.620 54.000 0.001 0.000 0.876 495 D CB 1.230 42.032 40.800 0.002 0.000 1.176 495 D HN 0.200 nan 8.370 nan 0.000 0.446 496 P HA 0.039 nan 4.420 nan 0.000 0.275 496 P C 0.713 178.011 177.300 -0.003 0.000 1.276 496 P CA -0.157 62.944 63.100 0.001 0.000 0.782 496 P CB 0.711 32.414 31.700 0.006 0.000 0.851 497 T N 2.942 117.492 114.554 -0.006 0.000 2.653 497 T HA -0.228 4.123 4.350 0.001 0.000 0.268 497 T C 1.663 176.350 174.700 -0.021 0.000 1.035 497 T CA 1.738 63.831 62.100 -0.012 0.000 1.154 497 T CB -0.299 68.563 68.868 -0.010 0.000 0.862 497 T HN 0.450 nan 8.240 nan 0.000 0.441 498 K N 0.617 121.007 120.400 -0.017 0.000 2.097 498 K HA -0.088 4.233 4.320 0.001 0.000 0.206 498 K C 2.391 178.969 176.600 -0.038 0.000 1.049 498 K CA 1.283 57.554 56.287 -0.026 0.000 0.933 498 K CB -0.232 32.263 32.500 -0.009 0.000 0.717 498 K HN 0.370 nan 8.250 nan 0.000 0.442 499 V N -1.269 118.633 119.914 -0.019 0.000 2.407 499 V HA -0.133 3.987 4.120 0.001 0.000 0.245 499 V C 1.720 177.792 176.094 -0.036 0.000 1.041 499 V CA 2.059 64.351 62.300 -0.013 0.000 1.040 499 V CB -0.649 31.184 31.823 0.017 0.000 0.671 499 V HN 0.228 nan 8.190 nan 0.000 0.455 500 T N 0.650 115.185 114.554 -0.032 0.000 2.674 500 T HA -0.157 4.194 4.350 0.001 0.000 0.265 500 T C 2.107 176.766 174.700 -0.069 0.000 1.039 500 T CA 2.032 64.111 62.100 -0.036 0.000 1.150 500 T CB -0.462 68.394 68.868 -0.021 0.000 0.864 500 T HN 0.442 nan 8.240 nan 0.000 0.427 501 R N 1.162 121.614 120.500 -0.080 0.000 2.073 501 R HA -0.051 4.290 4.340 0.001 0.000 0.234 501 R C 2.527 178.706 176.300 -0.201 0.000 1.134 501 R CA 1.725 57.761 56.100 -0.106 0.000 0.952 501 R CB -0.773 29.479 30.300 -0.080 0.000 0.850 501 R HN 0.342 nan 8.270 nan 0.000 0.433 502 S N 0.729 116.264 115.700 -0.274 0.000 2.355 502 S HA -0.083 4.388 4.470 0.001 0.000 0.222 502 S C 2.095 176.197 174.600 -0.830 0.000 1.031 502 S CA 1.174 59.003 58.200 -0.618 0.000 0.993 502 S CB -0.330 62.567 63.200 -0.505 0.000 0.859 502 S HN 0.540 nan 8.310 nan 0.000 0.453 503 A N 2.117 124.732 122.820 -0.342 0.000 1.908 503 A HA -0.062 4.258 4.320 0.001 0.000 0.218 503 A C 2.094 179.632 177.584 -0.076 0.000 1.181 503 A CA 1.217 53.197 52.037 -0.094 0.000 0.627 503 A CB -0.784 18.217 19.000 0.002 0.000 0.818 503 A HN 0.433 nan 8.150 nan 0.000 0.445 504 L N -0.202 120.958 121.223 -0.105 0.000 2.017 504 L HA -0.221 4.119 4.340 0.001 0.000 0.208 504 L C 2.425 179.256 176.870 -0.066 0.000 1.073 504 L CA 2.486 57.288 54.840 -0.062 0.000 0.745 504 L CB -1.269 40.755 42.059 -0.058 0.000 0.894 504 L HN 0.550 nan 8.230 nan 0.000 0.432 505 Q N -1.255 118.459 119.800 -0.143 0.000 2.050 505 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 505 Q C 2.113 178.124 176.000 0.018 0.000 0.980 505 Q CA 1.789 57.533 55.803 -0.098 0.000 0.840 505 Q CB -0.283 28.356 28.738 -0.165 0.000 0.898 505 Q HN 0.483 nan 8.270 nan 0.000 0.424 506 Y N 0.491 120.792 120.300 0.003 0.000 2.070 506 Y HA -0.235 4.316 4.550 0.001 0.000 0.280 506 Y C 2.497 178.398 175.900 0.003 0.000 1.148 506 Y CA 0.829 58.930 58.100 0.002 0.000 1.125 506 Y CB -1.332 37.128 38.460 0.001 0.000 0.975 506 Y HN 0.132 nan 8.280 nan 0.000 0.492 507 A N 0.194 123.114 122.820 0.166 0.000 1.865 507 A HA -0.165 4.155 4.320 0.001 0.000 0.217 507 A C 2.513 180.135 177.584 0.063 0.000 1.191 507 A CA 2.585 54.677 52.037 0.092 0.000 0.623 507 A CB -1.314 17.724 19.000 0.063 0.000 0.826 507 A HN 0.423 nan 8.150 nan 0.000 0.444 508 A N -1.434 121.415 122.820 0.048 0.000 1.968 508 A HA 0.020 4.340 4.320 0.001 0.000 0.217 508 A C 2.435 180.042 177.584 0.038 0.000 1.169 508 A CA 1.924 53.980 52.037 0.033 0.000 0.638 508 A CB -0.764 18.247 19.000 0.018 0.000 0.812 508 A HN 0.534 nan 8.150 nan 0.000 0.446 509 S N -0.529 115.203 115.700 0.054 0.000 2.345 509 S HA -0.117 4.353 4.470 0.001 0.000 0.220 509 S C 1.935 176.563 174.600 0.047 0.000 1.031 509 S CA 1.603 59.834 58.200 0.053 0.000 0.996 509 S CB -0.443 62.801 63.200 0.074 0.000 0.882 509 S HN 0.279 nan 8.310 nan 0.000 0.445 510 V N 2.230 122.177 119.914 0.055 0.000 2.343 510 V HA -0.156 3.965 4.120 0.001 0.000 0.247 510 V C 2.821 178.932 176.094 0.029 0.000 1.051 510 V CA 1.864 64.186 62.300 0.036 0.000 1.036 510 V CB -1.322 30.523 31.823 0.036 0.000 0.654 510 V HN 0.606 nan 8.190 nan 0.000 0.451 511 A N 0.467 123.306 122.820 0.032 0.000 1.858 511 A HA -0.082 4.238 4.320 0.001 0.000 0.216 511 A C 2.419 180.017 177.584 0.023 0.000 1.190 511 A CA 1.901 53.953 52.037 0.026 0.000 0.617 511 A CB -1.286 17.730 19.000 0.027 0.000 0.827 511 A HN 0.533 nan 8.150 nan 0.000 0.443 512 G N -0.603 108.211 108.800 0.024 0.000 2.471 512 G HA2 -0.055 3.906 3.960 0.001 0.000 0.219 512 G HA3 -0.055 3.906 3.960 0.001 0.000 0.219 512 G C 1.510 176.421 174.900 0.019 0.000 1.125 512 G CA 0.964 46.077 45.100 0.020 0.000 0.775 512 G HN 0.422 nan 8.290 nan 0.000 0.548 513 L N -0.528 120.706 121.223 0.019 0.000 2.049 513 L HA 0.115 4.456 4.340 0.001 0.000 0.203 513 L C 2.837 179.716 176.870 0.014 0.000 1.074 513 L CA 1.023 55.873 54.840 0.016 0.000 0.749 513 L CB -0.366 41.701 42.059 0.015 0.000 0.907 513 L HN 0.203 nan 8.230 nan 0.000 0.439 514 M N 0.728 120.336 119.600 0.014 0.000 2.149 514 M HA -0.216 4.265 4.480 0.001 0.000 0.261 514 M C 2.302 178.612 176.300 0.015 0.000 1.064 514 M CA 1.831 57.139 55.300 0.013 0.000 1.102 514 M CB -0.216 32.392 32.600 0.013 0.000 1.369 514 M HN 0.339 nan 8.290 nan 0.000 0.408 515 I N -1.744 118.836 120.570 0.017 0.000 2.530 515 I HA -0.179 3.991 4.170 0.001 0.000 0.257 515 I C 1.918 178.047 176.117 0.020 0.000 1.179 515 I CA 1.706 63.017 61.300 0.019 0.000 1.440 515 I CB -1.353 36.658 38.000 0.018 0.000 1.087 515 I HN 0.344 nan 8.210 nan 0.000 0.440 516 T N -1.737 112.828 114.554 0.019 0.000 3.148 516 T HA 0.076 4.427 4.350 0.001 0.000 0.253 516 T C 0.819 175.532 174.700 0.022 0.000 1.134 516 T CA 0.056 62.168 62.100 0.020 0.000 1.051 516 T CB -1.073 67.806 68.868 0.018 0.000 0.959 516 T HN 0.325 nan 8.240 nan 0.000 0.525 517 T N 2.917 117.483 114.554 0.019 0.000 2.784 517 T HA 0.178 4.528 4.350 0.001 0.000 0.291 517 T C 0.685 175.400 174.700 0.025 0.000 0.942 517 T CA -0.014 62.095 62.100 0.015 0.000 1.161 517 T CB 1.071 69.945 68.868 0.010 0.000 0.885 517 T HN 0.270 nan 8.240 nan 0.000 0.534 518 E N 0.993 121.211 120.200 0.030 0.000 2.489 518 E HA 0.249 4.599 4.350 0.001 0.000 0.204 518 E C -0.114 176.510 176.600 0.040 0.000 1.006 518 E CA -0.109 56.334 56.400 0.070 0.000 0.936 518 E CB 0.407 30.172 29.700 0.108 0.000 1.002 518 E HN 0.655 nan 8.360 nan 0.000 0.488 519 C N -0.264 118.978 119.300 -0.097 0.000 3.239 519 C HA 0.685 5.146 4.460 0.001 0.000 0.329 519 C C -1.684 173.187 174.990 -0.199 0.000 1.252 519 C CA -0.720 58.087 59.018 -0.352 0.000 1.323 519 C CB 0.517 27.808 27.740 -0.748 0.000 1.663 519 C HN 0.250 nan 8.230 nan 0.000 0.487 520 M N 3.874 123.382 119.600 -0.153 0.000 2.501 520 M HA 0.746 5.226 4.480 0.001 0.000 0.293 520 M C -1.366 174.963 176.300 0.048 0.000 1.192 520 M CA -0.629 54.675 55.300 0.008 0.000 0.886 520 M CB 2.327 35.055 32.600 0.214 0.000 1.710 520 M HN 0.390 nan 8.290 nan 0.000 0.457 521 V N 0.596 120.463 119.914 -0.078 0.000 2.777 521 V HA 0.824 4.944 4.120 0.001 0.000 0.306 521 V C -0.821 175.137 176.094 -0.226 0.000 1.112 521 V CA -0.463 61.778 62.300 -0.099 0.000 0.917 521 V CB 2.224 34.000 31.823 -0.079 0.000 1.018 521 V HN 0.956 nan 8.190 nan 0.000 0.426 522 T N 1.903 116.308 114.554 -0.249 0.000 3.003 522 T HA 0.269 4.619 4.350 0.001 0.000 0.354 522 T C -1.885 172.718 174.700 -0.162 0.000 1.651 522 T CA -0.603 61.330 62.100 -0.278 0.000 1.103 522 T CB 1.804 70.370 68.868 -0.503 0.000 1.450 522 T HN 0.680 nan 8.240 nan 0.000 0.484 523 D N 2.791 123.126 120.400 -0.108 0.000 2.389 523 D HA 0.203 4.843 4.640 0.001 0.000 0.247 523 D C 0.478 176.758 176.300 -0.035 0.000 1.128 523 D CA -0.043 53.926 54.000 -0.051 0.000 0.884 523 D CB 0.886 41.663 40.800 -0.038 0.000 1.194 523 D HN 0.503 nan 8.370 nan 0.000 0.441 524 L N 2.907 124.133 121.223 0.004 0.000 2.660 524 L HA 0.270 4.610 4.340 0.001 0.000 0.272 524 L C -1.514 175.371 176.870 0.026 0.000 1.194 524 L CA 0.423 55.283 54.840 0.034 0.000 0.945 524 L CB -0.418 41.664 42.059 0.038 0.000 1.212 524 L HN 0.453 nan 8.230 nan 0.000 0.490 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 nan 63.100 nan 0.000 0.800 525 P CB 0.000 nan 31.700 nan 0.000 0.726