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_J 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 0.000 177.587 177.584 0.006 0.000 1.274 3 A CA 0.000 52.042 52.037 0.009 0.000 0.836 3 A CB 0.000 19.004 19.000 0.006 0.000 0.831 4 K N 1.401 121.813 120.400 0.019 0.000 2.542 4 K HA 0.510 4.830 4.320 0.001 0.000 0.259 4 K C -1.683 174.955 176.600 0.063 0.000 0.932 4 K CA -0.525 55.775 56.287 0.021 0.000 0.820 4 K CB 2.600 35.111 32.500 0.019 0.000 1.345 4 K HN 0.849 nan 8.250 nan 0.000 0.432 5 D N 0.642 121.099 120.400 0.096 0.000 2.326 5 D HA 0.578 5.218 4.640 0.001 0.000 0.251 5 D C -1.033 175.443 176.300 0.293 0.000 1.023 5 D CA -0.501 53.622 54.000 0.205 0.000 0.966 5 D CB 1.463 42.439 40.800 0.293 0.000 1.156 5 D HN 0.256 nan 8.370 nan 0.000 0.494 6 V N -1.162 118.953 119.914 0.335 0.000 2.808 6 V HA 0.715 4.835 4.120 0.001 0.000 0.308 6 V C -1.222 175.063 176.094 0.318 0.000 1.099 6 V CA -0.803 61.699 62.300 0.337 0.000 0.920 6 V CB 1.728 33.745 31.823 0.323 0.000 1.014 6 V HN 0.517 nan 8.190 nan 0.000 0.425 7 K N 4.051 124.599 120.400 0.247 0.000 2.513 7 K HA 0.667 4.987 4.320 0.001 0.000 0.251 7 K C -1.884 174.778 176.600 0.103 0.000 0.939 7 K CA -0.346 56.011 56.287 0.117 0.000 0.793 7 K CB 2.598 34.899 32.500 -0.331 0.000 1.241 7 K HN 0.614 nan 8.250 nan 0.000 0.431 8 F N 0.658 120.594 119.950 -0.024 0.000 2.470 8 F HA 0.434 4.961 4.527 0.001 0.000 0.329 8 F C 1.503 177.297 175.800 -0.010 0.000 1.072 8 F CA 0.612 58.611 58.000 -0.001 0.000 0.989 8 F CB 1.508 40.508 39.000 -0.001 0.000 1.193 8 F HN 0.857 nan 8.300 nan 0.000 0.481 9 G N 2.327 111.199 108.800 0.119 0.000 2.690 9 G HA2 -0.535 3.425 3.960 0.001 0.000 0.334 9 G HA3 -0.535 3.425 3.960 0.001 0.000 0.334 9 G C 1.275 176.202 174.900 0.044 0.000 1.250 9 G CA 1.260 46.408 45.100 0.080 0.000 0.994 9 G HN 0.813 nan 8.290 nan 0.000 0.549 10 N N 0.839 119.563 118.700 0.041 0.000 2.094 10 N HA -0.109 4.632 4.740 0.001 0.000 0.191 10 N C 1.705 177.218 175.510 0.005 0.000 1.023 10 N CA 2.527 55.589 53.050 0.020 0.000 0.857 10 N CB -0.223 38.273 38.487 0.016 0.000 1.013 10 N HN 0.520 nan 8.380 nan 0.000 0.426 11 D N -0.399 120.002 120.400 0.002 0.000 2.234 11 D HA 0.004 4.644 4.640 0.001 0.000 0.205 11 D C 1.824 178.078 176.300 -0.077 0.000 0.962 11 D CA 0.934 54.908 54.000 -0.044 0.000 0.855 11 D CB -0.481 40.289 40.800 -0.051 0.000 0.951 11 D HN 0.444 nan 8.370 nan 0.000 0.500 12 A N 1.551 124.349 122.820 -0.035 0.000 1.845 12 A HA -0.204 4.116 4.320 0.001 0.000 0.215 12 A C 2.199 179.794 177.584 0.018 0.000 1.195 12 A CA 1.297 53.335 52.037 0.002 0.000 0.616 12 A CB -0.513 18.495 19.000 0.013 0.000 0.832 12 A HN 0.090 nan 8.150 nan 0.000 0.443 13 R N -0.775 119.733 120.500 0.012 0.000 2.091 13 R HA -0.114 4.227 4.340 0.001 0.000 0.238 13 R C 2.069 178.377 176.300 0.013 0.000 1.136 13 R CA 1.552 57.661 56.100 0.015 0.000 0.959 13 R CB -0.657 29.651 30.300 0.013 0.000 0.856 13 R HN 0.404 nan 8.270 nan 0.000 0.437 14 V N 1.405 121.320 119.914 0.001 0.000 2.307 14 V HA -0.238 3.882 4.120 0.001 0.000 0.245 14 V C 2.346 178.441 176.094 0.003 0.000 1.045 14 V CA 1.612 63.911 62.300 -0.002 0.000 1.024 14 V CB -0.349 31.465 31.823 -0.014 0.000 0.651 14 V HN 0.232 nan 8.190 nan 0.000 0.449 15 K N -0.574 119.824 120.400 -0.003 0.000 2.057 15 K HA -0.137 4.183 4.320 0.001 0.000 0.207 15 K C 2.143 178.781 176.600 0.064 0.000 1.049 15 K CA 1.729 58.033 56.287 0.028 0.000 0.931 15 K CB -0.495 32.015 32.500 0.015 0.000 0.714 15 K HN 0.435 nan 8.250 nan 0.000 0.440 16 M N 0.708 120.348 119.600 0.066 0.000 2.082 16 M HA -0.229 4.252 4.480 0.001 0.000 0.258 16 M C 2.137 178.461 176.300 0.040 0.000 1.069 16 M CA 1.409 56.745 55.300 0.060 0.000 1.102 16 M CB -0.162 32.469 32.600 0.052 0.000 1.336 16 M HN 0.070 nan 8.290 nan 0.000 0.404 17 L N 0.534 121.775 121.223 0.030 0.000 2.012 17 L HA -0.221 4.120 4.340 0.001 0.000 0.210 17 L C 2.305 179.189 176.870 0.023 0.000 1.073 17 L CA 1.931 56.784 54.840 0.023 0.000 0.748 17 L CB -0.638 41.431 42.059 0.017 0.000 0.891 17 L HN 0.265 nan 8.230 nan 0.000 0.431 18 R N -0.695 119.820 120.500 0.025 0.000 2.080 18 R HA -0.136 4.205 4.340 0.001 0.000 0.236 18 R C 2.231 178.548 176.300 0.029 0.000 1.137 18 R CA 1.429 57.544 56.100 0.025 0.000 0.943 18 R CB -1.235 29.081 30.300 0.027 0.000 0.846 18 R HN 0.577 nan 8.270 nan 0.000 0.431 19 G N 0.460 109.282 108.800 0.038 0.000 2.418 19 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 19 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 19 G C 1.508 176.425 174.900 0.028 0.000 1.158 19 G CA 0.781 45.903 45.100 0.037 0.000 0.771 19 G HN 0.133 nan 8.290 nan 0.000 0.545 20 V N 1.413 121.343 119.914 0.027 0.000 2.255 20 V HA -0.247 3.874 4.120 0.001 0.000 0.247 20 V C 2.650 178.756 176.094 0.020 0.000 1.051 20 V CA 2.036 64.349 62.300 0.022 0.000 1.018 20 V CB -0.469 31.368 31.823 0.022 0.000 0.641 20 V HN 0.413 nan 8.190 nan 0.000 0.445 21 N N -0.116 118.596 118.700 0.020 0.000 2.142 21 N HA -0.119 4.621 4.740 0.001 0.000 0.186 21 N C 1.826 177.346 175.510 0.017 0.000 1.023 21 N CA 1.480 54.541 53.050 0.017 0.000 0.852 21 N CB -0.145 38.352 38.487 0.016 0.000 0.998 21 N HN 0.328 nan 8.380 nan 0.000 0.424 22 V N 2.437 122.362 119.914 0.018 0.000 2.332 22 V HA -0.186 3.935 4.120 0.001 0.000 0.248 22 V C 2.406 178.510 176.094 0.016 0.000 1.055 22 V CA 1.141 63.451 62.300 0.017 0.000 1.038 22 V CB -0.434 31.401 31.823 0.020 0.000 0.651 22 V HN 0.335 nan 8.190 nan 0.000 0.450 23 L N 0.489 121.722 121.223 0.016 0.000 2.023 23 L HA -0.055 4.286 4.340 0.001 0.000 0.205 23 L C 2.546 179.424 176.870 0.014 0.000 1.073 23 L CA 2.688 57.536 54.840 0.014 0.000 0.745 23 L CB -1.396 40.671 42.059 0.013 0.000 0.900 23 L HN 0.325 nan 8.230 nan 0.000 0.435 24 A N -0.461 122.368 122.820 0.015 0.000 1.972 24 A HA -0.234 4.087 4.320 0.001 0.000 0.219 24 A C 1.832 179.425 177.584 0.014 0.000 1.169 24 A CA 1.829 53.875 52.037 0.015 0.000 0.635 24 A CB -0.671 18.339 19.000 0.016 0.000 0.810 24 A HN 0.516 nan 8.150 nan 0.000 0.446 25 D N -0.169 120.239 120.400 0.014 0.000 2.219 25 D HA 0.054 4.695 4.640 0.001 0.000 0.205 25 D C 2.083 178.390 176.300 0.012 0.000 0.970 25 D CA 1.211 55.219 54.000 0.013 0.000 0.851 25 D CB -0.163 40.645 40.800 0.013 0.000 0.943 25 D HN 0.439 nan 8.370 nan 0.000 0.488 26 A N -0.043 122.784 122.820 0.012 0.000 2.015 26 A HA -0.072 4.249 4.320 0.001 0.000 0.219 26 A C 2.209 179.799 177.584 0.011 0.000 1.163 26 A CA 0.820 52.864 52.037 0.011 0.000 0.646 26 A CB -0.253 18.754 19.000 0.011 0.000 0.806 26 A HN 0.162 nan 8.150 nan 0.000 0.448 27 V N -0.513 119.409 119.914 0.012 0.000 2.725 27 V HA -0.120 4.001 4.120 0.001 0.000 0.247 27 V C 2.243 178.345 176.094 0.013 0.000 1.058 27 V CA 1.745 64.052 62.300 0.013 0.000 1.080 27 V CB -0.455 31.376 31.823 0.013 0.000 0.713 27 V HN 0.487 nan 8.190 nan 0.000 0.465 28 K N 0.757 121.165 120.400 0.014 0.000 2.113 28 K HA -0.163 4.157 4.320 0.001 0.000 0.208 28 K C 1.758 178.367 176.600 0.014 0.000 1.047 28 K CA 1.796 58.092 56.287 0.015 0.000 0.928 28 K CB -0.350 32.158 32.500 0.015 0.000 0.716 28 K HN 0.567 nan 8.250 nan 0.000 0.446 29 V N -0.871 119.050 119.914 0.013 0.000 3.623 29 V HA -0.030 4.091 4.120 0.001 0.000 0.274 29 V C 1.488 177.589 176.094 0.011 0.000 1.244 29 V CA 1.464 63.771 62.300 0.012 0.000 1.182 29 V CB -0.912 30.918 31.823 0.010 0.000 0.925 29 V HN 0.324 nan 8.190 nan 0.000 0.462 30 T N -2.671 111.890 114.554 0.011 0.000 3.040 30 T HA 0.303 4.654 4.350 0.001 0.000 0.250 30 T C 0.451 175.157 174.700 0.011 0.000 1.058 30 T CA -0.137 61.969 62.100 0.010 0.000 0.988 30 T CB 0.107 68.981 68.868 0.010 0.000 0.993 30 T HN 0.344 nan 8.240 nan 0.000 0.519 31 L N 2.710 123.941 121.223 0.013 0.000 2.367 31 L HA 0.604 4.945 4.340 0.001 0.000 0.275 31 L C 0.791 177.669 176.870 0.013 0.000 1.129 31 L CA 1.512 56.360 54.840 0.014 0.000 0.839 31 L CB -0.154 41.916 42.059 0.018 0.000 1.133 31 L HN 0.693 nan 8.230 nan 0.000 0.453 32 G N 4.644 113.451 108.800 0.011 0.000 2.728 32 G HA2 -0.163 3.797 3.960 0.001 0.000 0.294 32 G HA3 -0.163 3.797 3.960 0.001 0.000 0.294 32 G C -2.264 172.636 174.900 0.000 0.000 1.342 32 G CA -0.283 44.821 45.100 0.008 0.000 0.866 32 G HN 0.553 nan 8.290 nan 0.000 0.534 33 P HA -0.002 nan 4.420 nan 0.000 0.216 33 P C 1.313 178.605 177.300 -0.014 0.000 1.153 33 P CA 1.528 64.619 63.100 -0.016 0.000 0.844 33 P CB 0.005 31.688 31.700 -0.029 0.000 0.787 34 K N 0.033 120.425 120.400 -0.012 0.000 2.525 34 K HA 0.122 4.443 4.320 0.001 0.000 0.192 34 K C 1.335 177.936 176.600 0.001 0.000 1.029 34 K CA -0.019 56.264 56.287 -0.007 0.000 1.029 34 K CB -0.380 32.117 32.500 -0.005 0.000 0.814 34 K HN 0.140 nan 8.250 nan 0.000 0.503 35 G N 1.384 110.186 108.800 0.003 0.000 2.527 35 G HA2 0.095 4.056 3.960 0.001 0.000 0.248 35 G HA3 0.095 4.056 3.960 0.001 0.000 0.248 35 G C -0.514 174.389 174.900 0.004 0.000 1.231 35 G CA -0.453 44.651 45.100 0.006 0.000 0.838 35 G HN 0.205 nan 8.290 nan 0.000 0.570 36 R N 0.957 121.460 120.500 0.006 0.000 2.540 36 R HA 0.240 4.581 4.340 0.001 0.000 0.287 36 R C -0.420 175.883 176.300 0.005 0.000 0.980 36 R CA -0.731 55.372 56.100 0.005 0.000 0.966 36 R CB 1.215 31.519 30.300 0.005 0.000 1.106 36 R HN 0.551 nan 8.270 nan 0.000 0.480 37 N N -0.027 118.676 118.700 0.004 0.000 2.467 37 N HA 0.228 4.969 4.740 0.001 0.000 0.262 37 N C -0.927 174.586 175.510 0.006 0.000 1.234 37 N CA -0.088 52.965 53.050 0.005 0.000 0.952 37 N CB 0.961 39.450 38.487 0.004 0.000 1.158 37 N HN 0.149 nan 8.380 nan 0.000 0.463 38 V N 1.016 120.934 119.914 0.007 0.000 2.769 38 V HA 0.492 4.613 4.120 0.001 0.000 0.312 38 V C -0.511 175.588 176.094 0.008 0.000 1.061 38 V CA -0.790 61.514 62.300 0.007 0.000 0.931 38 V CB 2.030 33.858 31.823 0.008 0.000 1.010 38 V HN 0.289 nan 8.190 nan 0.000 0.433 39 V N 5.128 125.047 119.914 0.007 0.000 2.495 39 V HA 0.558 4.679 4.120 0.001 0.000 0.298 39 V C -0.511 175.589 176.094 0.009 0.000 1.031 39 V CA -0.512 61.793 62.300 0.008 0.000 0.871 39 V CB 1.713 33.539 31.823 0.006 0.000 0.988 39 V HN 0.619 nan 8.190 nan 0.000 0.432 40 L N 3.246 124.477 121.223 0.013 0.000 2.349 40 L HA 0.497 4.838 4.340 0.001 0.000 0.278 40 L C -0.617 176.265 176.870 0.019 0.000 0.996 40 L CA -0.585 54.264 54.840 0.016 0.000 0.825 40 L CB 2.014 44.086 42.059 0.021 0.000 1.243 40 L HN 0.571 nan 8.230 nan 0.000 0.412 41 D N 3.800 124.208 120.400 0.012 0.000 2.435 41 D HA 0.030 4.671 4.640 0.001 0.000 0.230 41 D C 0.080 176.393 176.300 0.021 0.000 1.215 41 D CA -0.057 53.947 54.000 0.007 0.000 0.947 41 D CB 0.535 41.327 40.800 -0.012 0.000 1.048 41 D HN 0.261 nan 8.370 nan 0.000 0.512 42 K N 2.131 122.564 120.400 0.056 0.000 2.199 42 K HA 0.005 4.326 4.320 0.001 0.000 0.226 42 K C 1.349 178.007 176.600 0.098 0.000 1.237 42 K CA -0.061 56.302 56.287 0.126 0.000 1.170 42 K CB -0.074 32.510 32.500 0.140 0.000 1.418 42 K HN 0.388 nan 8.250 nan 0.000 0.255 43 S N 0.314 115.989 115.700 -0.041 0.000 2.500 43 S HA -0.152 4.319 4.470 0.001 0.000 0.239 43 S C 1.386 175.886 174.600 -0.168 0.000 0.989 43 S CA 0.658 58.775 58.200 -0.137 0.000 0.951 43 S CB -0.399 62.666 63.200 -0.225 0.000 0.759 43 S HN 0.439 nan 8.310 nan 0.000 0.523 44 F N 2.257 122.206 119.950 -0.001 0.000 2.373 44 F HA 0.192 4.720 4.527 0.001 0.000 0.300 44 F C 2.154 177.954 175.800 0.000 0.000 1.080 44 F CA 0.727 58.727 58.000 -0.000 0.000 1.417 44 F CB -0.543 38.456 39.000 -0.001 0.000 1.070 44 F HN 0.484 nan 8.300 nan 0.000 0.546 45 G N -1.601 107.295 108.800 0.160 0.000 2.683 45 G HA2 0.617 4.578 3.960 0.001 0.000 0.149 45 G HA3 0.617 4.578 3.960 0.001 0.000 0.149 45 G C -0.694 174.237 174.900 0.052 0.000 1.467 45 G CA 0.395 45.550 45.100 0.092 0.000 0.806 45 G HN 0.372 nan 8.290 nan 0.000 0.709 46 A N -0.554 122.297 122.820 0.051 0.000 2.608 46 A HA 0.793 5.114 4.320 0.001 0.000 0.292 46 A C -3.173 174.430 177.584 0.033 0.000 1.066 46 A CA -0.856 51.199 52.037 0.030 0.000 0.676 46 A CB 0.751 19.766 19.000 0.024 0.000 1.277 46 A HN 0.196 nan 8.150 nan 0.000 0.413 47 P HA 0.391 nan 4.420 nan 0.000 0.270 47 P C -0.355 176.958 177.300 0.022 0.000 1.223 47 P CA 0.337 63.449 63.100 0.021 0.000 0.785 47 P CB 0.557 32.264 31.700 0.011 0.000 0.923 48 T N 1.774 116.341 114.554 0.022 0.000 2.863 48 T HA 0.607 4.958 4.350 0.001 0.000 0.285 48 T C -0.229 174.480 174.700 0.015 0.000 1.009 48 T CA -0.214 61.898 62.100 0.019 0.000 0.989 48 T CB 0.543 69.424 68.868 0.022 0.000 1.004 48 T HN 0.071 nan 8.240 nan 0.000 0.455 49 I N 2.112 122.689 120.570 0.012 0.000 2.406 49 I HA 0.669 4.839 4.170 0.001 0.000 0.290 49 I C 0.479 176.602 176.117 0.009 0.000 0.999 49 I CA -0.151 61.155 61.300 0.010 0.000 1.124 49 I CB 2.066 40.071 38.000 0.008 0.000 1.289 49 I HN 0.589 nan 8.210 nan 0.000 0.441 50 T N 3.385 117.945 114.554 0.009 0.000 2.645 50 T HA 0.512 4.863 4.350 0.001 0.000 0.300 50 T C -0.059 174.646 174.700 0.008 0.000 1.210 50 T CA -0.374 61.731 62.100 0.009 0.000 1.034 50 T CB 1.529 70.403 68.868 0.010 0.000 1.537 50 T HN 0.707 nan 8.240 nan 0.000 0.492 51 K N -0.419 119.986 120.400 0.009 0.000 2.604 51 K HA 0.148 4.469 4.320 0.001 0.000 0.201 51 K C -0.615 175.991 176.600 0.010 0.000 1.733 51 K CA -0.203 56.089 56.287 0.009 0.000 1.115 51 K CB 0.486 32.990 32.500 0.007 0.000 1.532 51 K HN 0.562 nan 8.250 nan 0.000 0.595 52 D N 0.499 120.905 120.400 0.011 0.000 2.417 52 D HA 0.018 4.658 4.640 0.001 0.000 0.250 52 D C 0.980 177.286 176.300 0.011 0.000 1.166 52 D CA 0.636 54.643 54.000 0.012 0.000 0.881 52 D CB 1.600 42.408 40.800 0.012 0.000 1.164 52 D HN 0.375 nan 8.370 nan 0.000 0.467 53 G N 2.923 111.730 108.800 0.011 0.000 2.448 53 G HA2 -0.200 3.761 3.960 0.001 0.000 0.219 53 G HA3 -0.200 3.761 3.960 0.001 0.000 0.219 53 G C 1.465 176.370 174.900 0.008 0.000 1.127 53 G CA 0.444 45.550 45.100 0.011 0.000 0.766 53 G HN 0.477 nan 8.290 nan 0.000 0.552 54 V N 0.439 120.356 119.914 0.006 0.000 2.591 54 V HA -0.069 4.052 4.120 0.001 0.000 0.249 54 V C 2.938 179.032 176.094 0.001 0.000 1.053 54 V CA 2.254 64.554 62.300 0.001 0.000 1.068 54 V CB -0.053 31.767 31.823 -0.005 0.000 0.689 54 V HN 0.359 nan 8.190 nan 0.000 0.462 55 S N -0.280 115.422 115.700 0.004 0.000 2.368 55 S HA -0.154 4.316 4.470 0.001 0.000 0.224 55 S C 1.898 176.503 174.600 0.008 0.000 1.029 55 S CA 1.535 59.738 58.200 0.005 0.000 0.988 55 S CB -0.112 63.093 63.200 0.008 0.000 0.838 55 S HN 0.453 nan 8.310 nan 0.000 0.462 56 V N 2.083 122.002 119.914 0.008 0.000 2.261 56 V HA -0.212 3.909 4.120 0.001 0.000 0.246 56 V C 2.689 178.789 176.094 0.009 0.000 1.047 56 V CA 1.848 64.154 62.300 0.010 0.000 1.015 56 V CB -1.206 30.623 31.823 0.010 0.000 0.642 56 V HN 0.551 nan 8.190 nan 0.000 0.446 57 A N -0.422 122.402 122.820 0.007 0.000 1.930 57 A HA -0.203 4.118 4.320 0.001 0.000 0.217 57 A C 2.347 179.934 177.584 0.004 0.000 1.175 57 A CA 1.652 53.693 52.037 0.006 0.000 0.627 57 A CB -0.525 18.478 19.000 0.004 0.000 0.815 57 A HN 0.480 nan 8.150 nan 0.000 0.443 58 R N -0.374 120.127 120.500 0.002 0.000 2.127 58 R HA -0.112 4.229 4.340 0.001 0.000 0.238 58 R C 1.536 177.839 176.300 0.006 0.000 1.134 58 R CA 1.378 57.478 56.100 -0.001 0.000 0.975 58 R CB -0.102 30.195 30.300 -0.005 0.000 0.865 58 R HN 0.469 nan 8.270 nan 0.000 0.447 59 E N 0.067 120.275 120.200 0.013 0.000 2.435 59 E HA -0.003 4.348 4.350 0.001 0.000 0.195 59 E C 0.389 177.002 176.600 0.021 0.000 1.029 59 E CA 0.319 56.733 56.400 0.024 0.000 0.865 59 E CB 0.251 29.970 29.700 0.031 0.000 0.833 59 E HN 0.183 nan 8.360 nan 0.000 0.510 60 I N 1.272 121.850 120.570 0.014 0.000 2.519 60 I HA 0.183 4.354 4.170 0.001 0.000 0.287 60 I C 0.470 176.593 176.117 0.010 0.000 1.047 60 I CA -0.007 61.301 61.300 0.012 0.000 1.381 60 I CB 0.738 38.744 38.000 0.011 0.000 1.417 60 I HN -0.058 nan 8.210 nan 0.000 0.540 61 E N 5.845 126.051 120.200 0.010 0.000 2.565 61 E HA 0.194 4.545 4.350 0.001 0.000 0.343 61 E C -1.532 175.073 176.600 0.008 0.000 0.968 61 E CA -0.489 55.915 56.400 0.007 0.000 0.773 61 E CB 1.155 30.861 29.700 0.009 0.000 1.513 61 E HN 0.333 nan 8.360 nan 0.000 0.384 62 L N 2.511 123.739 121.223 0.008 0.000 2.468 62 L HA 0.157 4.498 4.340 0.001 0.000 0.253 62 L C 1.674 178.551 176.870 0.011 0.000 1.237 62 L CA 0.931 55.778 54.840 0.013 0.000 0.823 62 L CB 0.661 42.731 42.059 0.019 0.000 1.124 62 L HN 0.789 nan 8.230 nan 0.000 0.504 63 E N -0.218 119.992 120.200 0.017 0.000 2.099 63 E HA -0.089 4.262 4.350 0.001 0.000 0.191 63 E C 0.259 176.876 176.600 0.027 0.000 0.962 63 E CA -0.155 56.256 56.400 0.017 0.000 0.826 63 E CB 0.288 29.999 29.700 0.019 0.000 0.788 63 E HN 0.622 nan 8.360 nan 0.000 0.461 64 D N 1.126 121.554 120.400 0.046 0.000 2.472 64 D HA -0.079 4.562 4.640 0.001 0.000 0.248 64 D C 0.707 177.050 176.300 0.071 0.000 1.174 64 D CA 0.097 54.147 54.000 0.083 0.000 0.883 64 D CB 0.905 41.767 40.800 0.103 0.000 1.149 64 D HN 0.013 nan 8.370 nan 0.000 0.488 65 K N 3.753 124.180 120.400 0.045 0.000 2.057 65 K HA -0.121 4.200 4.320 0.001 0.000 0.206 65 K C 1.951 178.450 176.600 -0.168 0.000 1.050 65 K CA 1.038 57.253 56.287 -0.120 0.000 0.935 65 K CB -0.395 31.945 32.500 -0.266 0.000 0.715 65 K HN 0.509 nan 8.250 nan 0.000 0.439 66 F N 1.880 121.831 119.950 0.002 0.000 2.186 66 F HA -0.061 4.466 4.527 0.000 0.000 0.299 66 F C 2.296 178.095 175.800 -0.001 0.000 1.090 66 F CA 1.000 58.999 58.000 -0.001 0.000 1.307 66 F CB -0.266 38.736 39.000 0.002 0.000 1.019 66 F HN 0.110 nan 8.300 nan 0.000 0.489 67 E N -0.077 120.231 120.200 0.180 0.000 2.107 67 E HA -0.198 4.153 4.350 0.001 0.000 0.191 67 E C 1.724 178.355 176.600 0.052 0.000 0.982 67 E CA 1.000 57.459 56.400 0.098 0.000 0.809 67 E CB -0.289 29.461 29.700 0.083 0.000 0.756 67 E HN 0.258 nan 8.360 nan 0.000 0.459 68 N N 0.776 119.494 118.700 0.030 0.000 2.244 68 N HA -0.118 4.622 4.740 0.001 0.000 0.183 68 N C 1.682 177.186 175.510 -0.009 0.000 1.016 68 N CA 1.024 54.076 53.050 0.003 0.000 0.866 68 N CB 0.033 38.513 38.487 -0.012 0.000 0.980 68 N HN 0.090 nan 8.380 nan 0.000 0.430 69 M N -0.856 118.732 119.600 -0.020 0.000 2.108 69 M HA -0.071 4.410 4.480 0.001 0.000 0.261 69 M C 2.145 178.446 176.300 0.002 0.000 1.066 69 M CA 1.769 57.056 55.300 -0.022 0.000 1.107 69 M CB -0.617 31.962 32.600 -0.034 0.000 1.356 69 M HN 0.274 nan 8.290 nan 0.000 0.406 70 G N -0.152 108.661 108.800 0.022 0.000 2.421 70 G HA2 -0.129 3.832 3.960 0.001 0.000 0.216 70 G HA3 -0.129 3.832 3.960 0.001 0.000 0.216 70 G C 1.638 176.547 174.900 0.016 0.000 1.171 70 G CA 0.961 46.075 45.100 0.024 0.000 0.775 70 G HN 0.541 nan 8.290 nan 0.000 0.543 71 A N 0.064 122.893 122.820 0.015 0.000 1.908 71 A HA -0.119 4.202 4.320 0.001 0.000 0.218 71 A C 2.397 179.983 177.584 0.003 0.000 1.181 71 A CA 2.027 54.070 52.037 0.010 0.000 0.627 71 A CB -0.391 18.615 19.000 0.011 0.000 0.818 71 A HN 0.335 nan 8.150 nan 0.000 0.445 72 Q N -0.814 118.984 119.800 -0.003 0.000 2.119 72 Q HA -0.094 4.246 4.340 0.001 0.000 0.201 72 Q C 2.201 178.195 176.000 -0.009 0.000 0.972 72 Q CA 1.524 57.322 55.803 -0.009 0.000 0.847 72 Q CB -0.412 28.316 28.738 -0.016 0.000 0.903 72 Q HN 0.786 nan 8.270 nan 0.000 0.433 73 M N -0.247 119.350 119.600 -0.005 0.000 2.159 73 M HA -0.138 4.342 4.480 0.001 0.000 0.263 73 M C 2.227 178.528 176.300 0.002 0.000 1.063 73 M CA 1.041 56.339 55.300 -0.002 0.000 1.110 73 M CB -0.216 32.386 32.600 0.003 0.000 1.374 73 M HN -0.028 nan 8.290 nan 0.000 0.411 74 V N 0.460 120.378 119.914 0.006 0.000 2.427 74 V HA -0.255 3.866 4.120 0.001 0.000 0.248 74 V C 2.318 178.413 176.094 0.003 0.000 1.051 74 V CA 1.662 63.968 62.300 0.008 0.000 1.048 74 V CB -0.792 31.039 31.823 0.012 0.000 0.666 74 V HN 0.471 nan 8.190 nan 0.000 0.456 75 K N 0.269 120.668 120.400 -0.002 0.000 2.063 75 K HA -0.289 4.032 4.320 0.001 0.000 0.208 75 K C 2.198 178.788 176.600 -0.016 0.000 1.048 75 K CA 2.130 58.412 56.287 -0.007 0.000 0.928 75 K CB -0.065 32.430 32.500 -0.008 0.000 0.713 75 K HN 0.431 nan 8.250 nan 0.000 0.442 76 E N 0.422 120.610 120.200 -0.021 0.000 2.047 76 E HA -0.135 4.216 4.350 0.001 0.000 0.191 76 E C 1.790 178.367 176.600 -0.038 0.000 0.987 76 E CA 1.085 57.464 56.400 -0.035 0.000 0.799 76 E CB -0.314 29.365 29.700 -0.035 0.000 0.752 76 E HN 0.139 nan 8.360 nan 0.000 0.449 77 V N 0.165 120.070 119.914 -0.015 0.000 2.515 77 V HA -0.159 3.961 4.120 0.001 0.000 0.250 77 V C 2.082 178.181 176.094 0.008 0.000 1.058 77 V CA 1.812 64.113 62.300 0.003 0.000 1.064 77 V CB -0.519 31.322 31.823 0.029 0.000 0.675 77 V HN 0.449 nan 8.190 nan 0.000 0.461 78 A N -1.354 121.468 122.820 0.003 0.000 1.930 78 A HA -0.191 4.129 4.320 0.001 0.000 0.217 78 A C 2.513 180.090 177.584 -0.011 0.000 1.175 78 A CA 2.104 54.144 52.037 0.004 0.000 0.627 78 A CB -0.796 18.207 19.000 0.004 0.000 0.815 78 A HN 0.514 nan 8.150 nan 0.000 0.443 79 S N -0.583 115.098 115.700 -0.031 0.000 2.382 79 S HA -0.108 4.362 4.470 0.001 0.000 0.228 79 S C 1.743 176.292 174.600 -0.086 0.000 1.027 79 S CA 1.217 59.386 58.200 -0.052 0.000 0.991 79 S CB -0.213 62.951 63.200 -0.061 0.000 0.823 79 S HN 0.429 nan 8.310 nan 0.000 0.469 80 K N 1.422 121.747 120.400 -0.125 0.000 2.574 80 K HA 0.186 4.507 4.320 0.001 0.000 0.193 80 K C 1.626 178.177 176.600 -0.081 0.000 1.035 80 K CA 0.652 56.786 56.287 -0.254 0.000 0.982 80 K CB -0.588 31.608 32.500 -0.506 0.000 0.795 80 K HN 0.426 nan 8.250 nan 0.000 0.491 81 A N 1.327 124.153 122.820 0.010 0.000 1.861 81 A HA -0.097 4.223 4.320 0.001 0.000 0.212 81 A C 2.138 179.734 177.584 0.020 0.000 1.199 81 A CA 1.039 53.109 52.037 0.054 0.000 0.613 81 A CB -0.503 18.530 19.000 0.054 0.000 0.846 81 A HN 0.386 nan 8.150 nan 0.000 0.446 82 N N -0.017 118.680 118.700 -0.005 0.000 2.069 82 N HA -0.216 4.524 4.740 0.001 0.000 0.191 82 N C 0.918 176.408 175.510 -0.034 0.000 1.031 82 N CA 1.843 54.885 53.050 -0.014 0.000 0.852 82 N CB -0.229 38.246 38.487 -0.020 0.000 1.018 82 N HN 0.333 nan 8.380 nan 0.000 0.423 83 D N -0.131 120.233 120.400 -0.060 0.000 2.263 83 D HA -0.051 4.589 4.640 0.001 0.000 0.208 83 D C 1.394 177.658 176.300 -0.060 0.000 0.971 83 D CA 0.973 54.925 54.000 -0.080 0.000 0.867 83 D CB -0.034 40.690 40.800 -0.127 0.000 0.929 83 D HN 0.442 nan 8.370 nan 0.000 0.492 84 A N -0.846 121.959 122.820 -0.025 0.000 2.108 84 A HA 0.637 4.958 4.320 0.001 0.000 0.206 84 A C 1.599 179.211 177.584 0.046 0.000 1.212 84 A CA 0.792 52.850 52.037 0.035 0.000 0.843 84 A CB 0.668 19.749 19.000 0.135 0.000 0.902 84 A HN 0.139 nan 8.150 nan 0.000 0.477 85 A N -2.897 119.946 122.820 0.037 0.000 2.653 85 A HA 0.469 4.790 4.320 0.001 0.000 0.231 85 A C 1.535 179.143 177.584 0.039 0.000 1.146 85 A CA 0.952 53.015 52.037 0.043 0.000 1.024 85 A CB -0.517 18.516 19.000 0.056 0.000 1.202 85 A HN 1.885 nan 8.150 nan 0.000 0.543 86 G N -0.714 108.101 108.800 0.025 0.000 2.347 86 G HA2 -0.272 3.689 3.960 0.001 0.000 0.247 86 G HA3 -0.272 3.689 3.960 0.001 0.000 0.247 86 G C 0.114 175.031 174.900 0.030 0.000 1.037 86 G CA 0.799 45.916 45.100 0.029 0.000 0.622 86 G HN 0.717 nan 8.290 nan 0.000 0.521 87 D N -2.047 118.372 120.400 0.032 0.000 2.825 87 D HA 0.490 5.130 4.640 0.001 0.000 0.327 87 D C 1.022 177.341 176.300 0.032 0.000 1.277 87 D CA 0.424 54.441 54.000 0.029 0.000 0.950 87 D CB 0.793 41.611 40.800 0.030 0.000 1.438 87 D HN 1.286 nan 8.370 nan 0.000 0.526 88 G N -0.073 108.745 108.800 0.029 0.000 2.148 88 G HA2 -0.323 3.638 3.960 0.001 0.000 0.254 88 G HA3 -0.323 3.638 3.960 0.001 0.000 0.254 88 G C 0.942 175.861 174.900 0.032 0.000 0.981 88 G CA 1.666 46.785 45.100 0.031 0.000 0.670 88 G HN 0.578 nan 8.290 nan 0.000 0.528 89 T N -2.668 111.902 114.554 0.026 0.000 2.708 89 T HA -0.118 4.232 4.350 0.001 0.000 0.266 89 T C 2.243 176.957 174.700 0.022 0.000 1.037 89 T CA 2.507 64.620 62.100 0.023 0.000 1.146 89 T CB -0.684 68.193 68.868 0.015 0.000 0.865 89 T HN 0.339 nan 8.240 nan 0.000 0.435 90 T N 2.086 116.652 114.554 0.020 0.000 2.746 90 T HA -0.100 4.250 4.350 0.001 0.000 0.267 90 T C 2.265 176.979 174.700 0.023 0.000 1.039 90 T CA 1.878 63.990 62.100 0.020 0.000 1.142 90 T CB -1.003 67.876 68.868 0.018 0.000 0.866 90 T HN 0.561 nan 8.240 nan 0.000 0.444 91 T N 2.236 116.805 114.554 0.025 0.000 2.684 91 T HA -0.076 4.275 4.350 0.001 0.000 0.267 91 T C 2.436 177.154 174.700 0.031 0.000 1.036 91 T CA 1.221 63.337 62.100 0.027 0.000 1.148 91 T CB -0.664 68.221 68.868 0.028 0.000 0.863 91 T HN 0.446 nan 8.240 nan 0.000 0.436 92 A N 1.555 124.397 122.820 0.037 0.000 1.908 92 A HA -0.165 4.156 4.320 0.001 0.000 0.218 92 A C 2.586 180.193 177.584 0.038 0.000 1.181 92 A CA 2.236 54.300 52.037 0.046 0.000 0.627 92 A CB -1.378 17.656 19.000 0.057 0.000 0.818 92 A HN 0.500 nan 8.150 nan 0.000 0.445 93 T N -0.462 114.110 114.554 0.030 0.000 2.708 93 T HA -0.112 4.239 4.350 0.001 0.000 0.266 93 T C 1.875 176.589 174.700 0.024 0.000 1.037 93 T CA 1.531 63.646 62.100 0.025 0.000 1.146 93 T CB -0.465 68.415 68.868 0.020 0.000 0.865 93 T HN 0.148 nan 8.240 nan 0.000 0.435 94 V N 1.430 121.358 119.914 0.023 0.000 2.295 94 V HA -0.118 4.003 4.120 0.001 0.000 0.246 94 V C 2.490 178.597 176.094 0.022 0.000 1.049 94 V CA 1.490 63.803 62.300 0.022 0.000 1.024 94 V CB -0.647 31.189 31.823 0.022 0.000 0.648 94 V HN 0.421 nan 8.190 nan 0.000 0.447 95 L N -0.185 121.053 121.223 0.024 0.000 2.017 95 L HA -0.143 4.198 4.340 0.001 0.000 0.208 95 L C 2.731 179.616 176.870 0.024 0.000 1.073 95 L CA 1.574 56.428 54.840 0.024 0.000 0.745 95 L CB -0.812 41.262 42.059 0.025 0.000 0.894 95 L HN 0.354 nan 8.230 nan 0.000 0.432 96 A N 0.668 123.505 122.820 0.028 0.000 1.858 96 A HA -0.291 4.030 4.320 0.001 0.000 0.216 96 A C 2.202 179.800 177.584 0.023 0.000 1.190 96 A CA 1.990 54.044 52.037 0.029 0.000 0.617 96 A CB -0.702 18.318 19.000 0.033 0.000 0.827 96 A HN 0.571 nan 8.150 nan 0.000 0.443 97 Q N -0.072 119.741 119.800 0.022 0.000 2.170 97 Q HA 0.088 4.428 4.340 0.001 0.000 0.203 97 Q C 1.819 177.830 176.000 0.018 0.000 0.976 97 Q CA 2.212 58.026 55.803 0.019 0.000 0.858 97 Q CB -0.714 28.035 28.738 0.018 0.000 0.907 97 Q HN 0.478 nan 8.270 nan 0.000 0.433 98 A N 0.982 123.812 122.820 0.017 0.000 1.872 98 A HA -0.023 4.298 4.320 0.001 0.000 0.214 98 A C 2.201 179.794 177.584 0.015 0.000 1.187 98 A CA 1.374 53.420 52.037 0.015 0.000 0.614 98 A CB -0.641 18.368 19.000 0.016 0.000 0.826 98 A HN 0.433 nan 8.150 nan 0.000 0.442 99 I N -0.321 120.259 120.570 0.016 0.000 2.315 99 I HA -0.224 3.946 4.170 0.001 0.000 0.248 99 I C 2.207 178.332 176.117 0.015 0.000 1.117 99 I CA 1.049 62.358 61.300 0.015 0.000 1.404 99 I CB -0.309 37.700 38.000 0.015 0.000 1.071 99 I HN 0.292 nan 8.210 nan 0.000 0.419 100 I N 0.294 120.874 120.570 0.017 0.000 2.179 100 I HA -0.262 3.908 4.170 0.001 0.000 0.242 100 I C 2.548 178.674 176.117 0.015 0.000 1.088 100 I CA 1.546 62.856 61.300 0.017 0.000 1.357 100 I CB -0.576 37.436 38.000 0.019 0.000 1.051 100 I HN 0.195 nan 8.210 nan 0.000 0.409 101 T N 0.101 114.664 114.554 0.014 0.000 2.708 101 T HA -0.133 4.218 4.350 0.001 0.000 0.266 101 T C 1.804 176.511 174.700 0.011 0.000 1.037 101 T CA 1.196 63.304 62.100 0.013 0.000 1.146 101 T CB -0.151 68.725 68.868 0.013 0.000 0.865 101 T HN 0.277 nan 8.240 nan 0.000 0.435 102 E N 0.661 120.867 120.200 0.011 0.000 2.152 102 E HA 0.031 4.382 4.350 0.001 0.000 0.192 102 E C 2.495 179.100 176.600 0.009 0.000 0.983 102 E CA 0.798 57.203 56.400 0.009 0.000 0.818 102 E CB -0.636 29.069 29.700 0.009 0.000 0.758 102 E HN 0.564 nan 8.360 nan 0.000 0.467 103 G N 1.269 110.075 108.800 0.010 0.000 2.394 103 G HA2 -0.170 3.791 3.960 0.001 0.000 0.214 103 G HA3 -0.170 3.791 3.960 0.001 0.000 0.214 103 G C 1.736 176.642 174.900 0.010 0.000 1.176 103 G CA 0.227 45.333 45.100 0.010 0.000 0.786 103 G HN 0.150 nan 8.290 nan 0.000 0.533 104 L N 0.200 121.430 121.223 0.011 0.000 2.083 104 L HA -0.047 4.293 4.340 0.001 0.000 0.209 104 L C 2.807 179.682 176.870 0.009 0.000 1.083 104 L CA 1.356 56.203 54.840 0.011 0.000 0.752 104 L CB -0.317 41.749 42.059 0.012 0.000 0.899 104 L HN 0.224 nan 8.230 nan 0.000 0.433 105 K N 0.480 120.885 120.400 0.009 0.000 2.063 105 K HA -0.219 4.102 4.320 0.001 0.000 0.208 105 K C 2.112 178.716 176.600 0.007 0.000 1.048 105 K CA 1.533 57.824 56.287 0.007 0.000 0.928 105 K CB -0.073 32.431 32.500 0.007 0.000 0.713 105 K HN 0.288 nan 8.250 nan 0.000 0.442 106 A N 0.437 123.261 122.820 0.007 0.000 1.930 106 A HA -0.068 4.252 4.320 0.001 0.000 0.217 106 A C 2.182 179.770 177.584 0.007 0.000 1.175 106 A CA 1.288 53.328 52.037 0.007 0.000 0.627 106 A CB -0.399 18.605 19.000 0.006 0.000 0.815 106 A HN 0.173 nan 8.150 nan 0.000 0.443 107 V N -0.147 119.772 119.914 0.008 0.000 2.427 107 V HA -0.228 3.893 4.120 0.001 0.000 0.248 107 V C 3.015 179.114 176.094 0.010 0.000 1.051 107 V CA 1.838 64.143 62.300 0.009 0.000 1.048 107 V CB -1.089 30.740 31.823 0.010 0.000 0.666 107 V HN 0.599 nan 8.190 nan 0.000 0.456 108 A N -0.048 122.778 122.820 0.009 0.000 1.930 108 A HA -0.051 4.269 4.320 0.001 0.000 0.217 108 A C 2.420 180.008 177.584 0.007 0.000 1.175 108 A CA 1.816 53.858 52.037 0.008 0.000 0.627 108 A CB -0.662 18.342 19.000 0.007 0.000 0.815 108 A HN 0.551 nan 8.150 nan 0.000 0.443 109 A N -1.538 121.286 122.820 0.006 0.000 1.933 109 A HA 0.302 4.623 4.320 0.001 0.000 0.218 109 A C 1.908 179.496 177.584 0.006 0.000 1.175 109 A CA 1.940 53.980 52.037 0.005 0.000 0.628 109 A CB -0.842 18.161 19.000 0.005 0.000 0.814 109 A HN 1.940 nan 8.150 nan 0.000 0.444 110 G N -2.828 105.976 108.800 0.007 0.000 2.155 110 G HA2 -0.070 3.891 3.960 0.001 0.000 0.135 110 G HA3 -0.070 3.891 3.960 0.001 0.000 0.135 110 G C -0.143 174.761 174.900 0.007 0.000 1.023 110 G CA 0.019 45.123 45.100 0.007 0.000 0.688 110 G HN 0.253 nan 8.290 nan 0.000 0.499 111 M N 1.039 120.643 119.600 0.006 0.000 2.242 111 M HA 0.352 4.833 4.480 0.001 0.000 0.344 111 M C 0.711 177.015 176.300 0.007 0.000 1.140 111 M CA -0.704 54.600 55.300 0.006 0.000 1.160 111 M CB 0.462 33.065 32.600 0.005 0.000 1.491 111 M HN 0.252 nan 8.290 nan 0.000 0.459 112 N N 3.424 122.128 118.700 0.007 0.000 2.440 112 N HA 0.068 4.809 4.740 0.001 0.000 0.265 112 N C -2.042 173.472 175.510 0.007 0.000 1.239 112 N CA -1.358 51.697 53.050 0.007 0.000 0.909 112 N CB 0.641 39.132 38.487 0.007 0.000 1.066 112 N HN 0.274 nan 8.380 nan 0.000 0.474 113 P HA -0.185 nan 4.420 nan 0.000 0.217 113 P C 1.190 178.494 177.300 0.007 0.000 1.151 113 P CA 1.333 64.438 63.100 0.008 0.000 0.849 113 P CB 0.117 31.822 31.700 0.009 0.000 0.787 114 M N -1.272 118.332 119.600 0.007 0.000 2.419 114 M HA -0.033 4.448 4.480 0.001 0.000 0.264 114 M C 1.215 177.518 176.300 0.005 0.000 1.082 114 M CA 1.546 56.849 55.300 0.006 0.000 1.119 114 M CB -0.652 31.952 32.600 0.006 0.000 1.398 114 M HN -0.203 nan 8.290 nan 0.000 0.453 115 D N -0.756 119.647 120.400 0.005 0.000 2.277 115 D HA 0.025 4.665 4.640 0.001 0.000 0.209 115 D C 1.937 178.239 176.300 0.003 0.000 0.970 115 D CA 0.798 54.800 54.000 0.004 0.000 0.874 115 D CB 0.114 40.916 40.800 0.004 0.000 0.982 115 D HN 0.339 nan 8.370 nan 0.000 0.504 116 L N 1.238 122.463 121.223 0.004 0.000 2.012 116 L HA -0.204 4.137 4.340 0.001 0.000 0.210 116 L C 2.622 179.495 176.870 0.004 0.000 1.073 116 L CA 1.293 56.135 54.840 0.005 0.000 0.748 116 L CB -0.377 41.686 42.059 0.006 0.000 0.891 116 L HN -0.044 nan 8.230 nan 0.000 0.431 117 K N 0.326 120.729 120.400 0.005 0.000 2.009 117 K HA -0.215 4.106 4.320 0.001 0.000 0.210 117 K C 2.306 178.907 176.600 0.002 0.000 1.049 117 K CA 1.565 57.855 56.287 0.004 0.000 0.929 117 K CB -0.047 32.457 32.500 0.006 0.000 0.714 117 K HN 0.173 nan 8.250 nan 0.000 0.440 118 R N -0.625 119.876 120.500 0.001 0.000 2.127 118 R HA -0.115 4.226 4.340 0.001 0.000 0.238 118 R C 2.373 178.672 176.300 -0.002 0.000 1.134 118 R CA 1.317 57.416 56.100 -0.000 0.000 0.975 118 R CB -0.356 29.945 30.300 0.000 0.000 0.865 118 R HN 0.401 nan 8.270 nan 0.000 0.447 119 G N 0.737 109.536 108.800 -0.001 0.000 2.394 119 G HA2 -0.172 3.789 3.960 0.001 0.000 0.215 119 G HA3 -0.172 3.789 3.960 0.001 0.000 0.215 119 G C 1.417 176.316 174.900 -0.002 0.000 1.165 119 G CA 0.290 45.389 45.100 -0.001 0.000 0.784 119 G HN 0.130 nan 8.290 nan 0.000 0.535 120 I N 1.135 121.704 120.570 -0.002 0.000 2.142 120 I HA -0.143 4.027 4.170 0.001 0.000 0.240 120 I C 2.360 178.472 176.117 -0.008 0.000 1.078 120 I CA 1.311 62.609 61.300 -0.003 0.000 1.343 120 I CB -0.225 37.775 38.000 0.000 0.000 1.046 120 I HN 0.020 nan 8.210 nan 0.000 0.405 121 D N 0.845 121.240 120.400 -0.009 0.000 2.116 121 D HA -0.240 4.401 4.640 0.001 0.000 0.193 121 D C 2.068 178.359 176.300 -0.015 0.000 0.998 121 D CA 1.351 55.342 54.000 -0.014 0.000 0.836 121 D CB -0.267 40.527 40.800 -0.011 0.000 0.951 121 D HN 0.267 nan 8.370 nan 0.000 0.449 122 K N 0.394 120.787 120.400 -0.011 0.000 2.057 122 K HA -0.083 4.237 4.320 0.001 0.000 0.207 122 K C 2.017 178.610 176.600 -0.011 0.000 1.049 122 K CA 1.267 57.548 56.287 -0.010 0.000 0.931 122 K CB -0.062 32.434 32.500 -0.007 0.000 0.714 122 K HN 0.050 nan 8.250 nan 0.000 0.440 123 A N 0.640 123.454 122.820 -0.009 0.000 1.877 123 A HA -0.118 4.202 4.320 0.001 0.000 0.216 123 A C 2.248 179.824 177.584 -0.013 0.000 1.186 123 A CA 1.688 53.720 52.037 -0.009 0.000 0.620 123 A CB -0.745 18.252 19.000 -0.006 0.000 0.822 123 A HN 0.171 nan 8.150 nan 0.000 0.443 124 V N -0.179 119.724 119.914 -0.018 0.000 2.255 124 V HA -0.269 3.852 4.120 0.001 0.000 0.247 124 V C 2.789 178.864 176.094 -0.031 0.000 1.051 124 V CA 2.616 64.900 62.300 -0.027 0.000 1.018 124 V CB -1.355 30.445 31.823 -0.037 0.000 0.641 124 V HN 0.629 nan 8.190 nan 0.000 0.445 125 T N 0.388 114.924 114.554 -0.029 0.000 2.652 125 T HA -0.230 4.121 4.350 0.001 0.000 0.267 125 T C 2.050 176.737 174.700 -0.021 0.000 1.039 125 T CA 1.865 63.948 62.100 -0.028 0.000 1.153 125 T CB -0.569 68.284 68.868 -0.024 0.000 0.863 125 T HN 0.587 nan 8.240 nan 0.000 0.428 126 A N 1.580 124.390 122.820 -0.016 0.000 1.865 126 A HA 0.063 4.384 4.320 0.001 0.000 0.217 126 A C 2.684 180.262 177.584 -0.011 0.000 1.191 126 A CA 2.138 54.168 52.037 -0.011 0.000 0.623 126 A CB -1.284 17.711 19.000 -0.008 0.000 0.826 126 A HN 0.532 nan 8.150 nan 0.000 0.444 127 A N -0.845 121.968 122.820 -0.012 0.000 1.902 127 A HA -0.005 4.316 4.320 0.001 0.000 0.217 127 A C 2.262 179.839 177.584 -0.012 0.000 1.181 127 A CA 1.913 53.944 52.037 -0.009 0.000 0.623 127 A CB -0.888 18.107 19.000 -0.009 0.000 0.818 127 A HN 0.406 nan 8.150 nan 0.000 0.443 128 V N 0.134 120.036 119.914 -0.020 0.000 2.323 128 V HA -0.129 3.991 4.120 0.001 0.000 0.244 128 V C 2.219 178.302 176.094 -0.018 0.000 1.041 128 V CA 1.895 64.180 62.300 -0.024 0.000 1.025 128 V CB -0.594 31.204 31.823 -0.041 0.000 0.656 128 V HN 0.499 nan 8.190 nan 0.000 0.451 129 E N -0.371 119.818 120.200 -0.017 0.000 2.481 129 E HA -0.063 4.288 4.350 0.001 0.000 0.195 129 E C 2.044 178.640 176.600 -0.007 0.000 1.047 129 E CA 0.229 56.622 56.400 -0.012 0.000 0.867 129 E CB 0.013 29.706 29.700 -0.012 0.000 0.858 129 E HN 0.612 nan 8.360 nan 0.000 0.513 130 E N 0.432 120.628 120.200 -0.006 0.000 2.122 130 E HA 0.005 4.356 4.350 0.001 0.000 0.190 130 E C 2.218 178.818 176.600 -0.000 0.000 0.977 130 E CA 0.205 56.603 56.400 -0.002 0.000 0.820 130 E CB 0.002 29.701 29.700 -0.002 0.000 0.770 130 E HN 0.272 nan 8.360 nan 0.000 0.462 131 L N 0.880 122.102 121.223 -0.002 0.000 2.191 131 L HA -0.182 4.158 4.340 0.001 0.000 0.212 131 L C 2.238 179.108 176.870 0.001 0.000 1.103 131 L CA 0.920 55.761 54.840 0.001 0.000 0.769 131 L CB -0.220 41.838 42.059 -0.001 0.000 0.908 131 L HN -0.036 nan 8.230 nan 0.000 0.438 132 K N 0.048 120.448 120.400 -0.001 0.000 2.209 132 K HA -0.110 4.211 4.320 0.001 0.000 0.204 132 K C 2.018 178.619 176.600 0.003 0.000 1.048 132 K CA 1.275 57.562 56.287 0.000 0.000 0.940 132 K CB -0.278 32.221 32.500 -0.002 0.000 0.729 132 K HN 0.313 nan 8.250 nan 0.000 0.451 133 A N -0.570 122.252 122.820 0.003 0.000 1.943 133 A HA 0.039 4.360 4.320 0.001 0.000 0.213 133 A C 1.721 179.308 177.584 0.006 0.000 1.181 133 A CA 0.693 52.733 52.037 0.004 0.000 0.653 133 A CB -0.126 18.876 19.000 0.003 0.000 0.833 133 A HN 0.133 nan 8.150 nan 0.000 0.451 134 L N -0.241 120.986 121.223 0.007 0.000 2.341 134 L HA 0.133 4.473 4.340 0.001 0.000 0.214 134 L C 1.464 178.340 176.870 0.010 0.000 1.115 134 L CA 0.806 55.651 54.840 0.009 0.000 0.820 134 L CB -0.348 41.718 42.059 0.010 0.000 0.944 134 L HN 0.248 nan 8.230 nan 0.000 0.452 135 S N 0.150 115.856 115.700 0.009 0.000 2.498 135 S HA 0.294 4.765 4.470 0.001 0.000 0.281 135 S C -0.093 174.512 174.600 0.009 0.000 1.265 135 S CA -0.681 57.525 58.200 0.009 0.000 1.071 135 S CB 0.176 63.382 63.200 0.009 0.000 0.894 135 S HN 0.094 nan 8.310 nan 0.000 0.491 136 V N 4.412 124.332 119.914 0.010 0.000 2.567 136 V HA 0.633 4.754 4.120 0.001 0.000 0.289 136 V C -2.574 173.526 176.094 0.009 0.000 1.049 136 V CA -2.657 59.649 62.300 0.009 0.000 0.969 136 V CB 0.502 32.331 31.823 0.009 0.000 0.995 136 V HN 0.611 nan 8.190 nan 0.000 0.471 137 P HA 0.091 nan 4.420 nan 0.000 0.266 137 P C -0.001 177.303 177.300 0.008 0.000 1.195 137 P CA -0.100 63.005 63.100 0.008 0.000 0.768 137 P CB 0.414 32.119 31.700 0.008 0.000 0.838 138 C N 3.242 122.547 119.300 0.008 0.000 3.093 138 C HA 0.108 4.568 4.460 0.001 0.000 0.515 138 C C 1.577 176.570 174.990 0.004 0.000 1.253 138 C CA 0.446 59.467 59.018 0.006 0.000 1.476 138 C CB -2.491 25.253 27.740 0.007 0.000 1.873 138 C HN 0.494 nan 8.230 nan 0.000 0.632 139 S N 0.316 116.019 115.700 0.004 0.000 2.548 139 S HA 0.010 4.481 4.470 0.001 0.000 0.215 139 S C 0.252 174.853 174.600 0.001 0.000 0.976 139 S CA 0.065 58.266 58.200 0.003 0.000 0.908 139 S CB -0.111 63.092 63.200 0.004 0.000 0.781 139 S HN 0.911 nan 8.310 nan 0.000 0.519 140 D N 0.183 120.584 120.400 0.001 0.000 2.210 140 D HA 0.332 4.973 4.640 0.001 0.000 0.249 140 D C 0.776 177.075 176.300 -0.002 0.000 1.062 140 D CA -0.179 53.821 54.000 0.000 0.000 0.891 140 D CB 1.286 42.087 40.800 0.001 0.000 1.186 140 D HN -0.170 nan 8.370 nan 0.000 0.432 141 S N 2.631 118.330 115.700 -0.003 0.000 2.406 141 S HA -0.108 4.362 4.470 0.001 0.000 0.228 141 S C 1.623 176.220 174.600 -0.005 0.000 1.020 141 S CA 0.482 58.679 58.200 -0.005 0.000 0.965 141 S CB -0.121 63.076 63.200 -0.005 0.000 0.798 141 S HN 0.589 nan 8.310 nan 0.000 0.488 142 K N 1.628 122.025 120.400 -0.004 0.000 2.103 142 K HA 0.038 4.358 4.320 0.001 0.000 0.204 142 K C 2.220 178.817 176.600 -0.004 0.000 1.052 142 K CA 0.971 57.255 56.287 -0.005 0.000 0.945 142 K CB -0.308 32.189 32.500 -0.005 0.000 0.722 142 K HN 0.276 nan 8.250 nan 0.000 0.443 143 A N 1.852 124.670 122.820 -0.002 0.000 1.858 143 A HA -0.161 4.159 4.320 0.001 0.000 0.216 143 A C 2.047 179.630 177.584 -0.001 0.000 1.190 143 A CA 1.393 53.430 52.037 -0.001 0.000 0.617 143 A CB -0.593 18.408 19.000 0.002 0.000 0.827 143 A HN 0.282 nan 8.150 nan 0.000 0.443 144 I N 0.069 120.638 120.570 -0.002 0.000 2.118 144 I HA -0.328 3.843 4.170 0.001 0.000 0.241 144 I C 3.005 179.118 176.117 -0.006 0.000 1.070 144 I CA 1.721 63.019 61.300 -0.004 0.000 1.327 144 I CB -1.577 36.419 38.000 -0.006 0.000 1.034 144 I HN 0.400 nan 8.210 nan 0.000 0.405 145 A N -0.109 122.706 122.820 -0.007 0.000 1.892 145 A HA -0.300 4.021 4.320 0.001 0.000 0.218 145 A C 2.348 179.927 177.584 -0.008 0.000 1.188 145 A CA 2.135 54.167 52.037 -0.009 0.000 0.631 145 A CB -0.845 18.149 19.000 -0.009 0.000 0.822 145 A HN 0.566 nan 8.150 nan 0.000 0.447 146 Q N -0.487 119.309 119.800 -0.007 0.000 2.079 146 Q HA -0.111 4.230 4.340 0.001 0.000 0.200 146 Q C 2.010 178.008 176.000 -0.003 0.000 0.974 146 Q CA 1.729 57.528 55.803 -0.006 0.000 0.840 146 Q CB -0.175 28.559 28.738 -0.006 0.000 0.898 146 Q HN 0.443 nan 8.270 nan 0.000 0.430 147 V N 0.352 120.266 119.914 -0.001 0.000 2.392 147 V HA -0.229 3.891 4.120 0.001 0.000 0.249 147 V C 2.244 178.339 176.094 0.002 0.000 1.059 147 V CA 1.826 64.127 62.300 0.003 0.000 1.051 147 V CB -1.145 30.681 31.823 0.005 0.000 0.658 147 V HN 0.590 nan 8.190 nan 0.000 0.455 148 G N 0.517 109.315 108.800 -0.003 0.000 2.421 148 G HA2 -0.318 3.642 3.960 0.001 0.000 0.216 148 G HA3 -0.318 3.642 3.960 0.001 0.000 0.216 148 G C 1.806 176.704 174.900 -0.004 0.000 1.171 148 G CA 1.757 46.854 45.100 -0.006 0.000 0.775 148 G HN 0.575 nan 8.290 nan 0.000 0.543 149 T N -0.510 114.041 114.554 -0.005 0.000 2.881 149 T HA 0.015 4.365 4.350 0.001 0.000 0.270 149 T C 2.371 177.069 174.700 -0.003 0.000 1.068 149 T CA 1.162 63.258 62.100 -0.006 0.000 1.131 149 T CB -0.219 68.644 68.868 -0.009 0.000 0.871 149 T HN 0.262 nan 8.240 nan 0.000 0.479 150 I N 1.189 121.759 120.570 -0.000 0.000 2.233 150 I HA -0.088 4.083 4.170 0.001 0.000 0.243 150 I C 3.051 179.172 176.117 0.007 0.000 1.093 150 I CA 1.335 62.637 61.300 0.003 0.000 1.380 150 I CB -0.409 37.594 38.000 0.005 0.000 1.067 150 I HN 0.333 nan 8.210 nan 0.000 0.413 151 S N 0.607 116.313 115.700 0.010 0.000 2.387 151 S HA -0.042 4.429 4.470 0.001 0.000 0.226 151 S C 2.079 176.686 174.600 0.012 0.000 1.026 151 S CA 1.073 59.282 58.200 0.015 0.000 0.972 151 S CB -0.170 63.042 63.200 0.020 0.000 0.814 151 S HN 0.418 nan 8.310 nan 0.000 0.477 152 A N 1.248 124.073 122.820 0.007 0.000 2.209 152 A HA 0.149 4.470 4.320 0.001 0.000 0.212 152 A C 0.963 178.549 177.584 0.003 0.000 1.158 152 A CA 0.700 52.740 52.037 0.005 0.000 0.742 152 A CB -0.615 18.386 19.000 0.000 0.000 0.790 152 A HN 0.682 nan 8.150 nan 0.000 0.472 153 N N -1.414 117.287 118.700 0.003 0.000 2.780 153 N HA -0.183 4.557 4.740 0.001 0.000 0.247 153 N C 0.192 175.701 175.510 -0.002 0.000 1.076 153 N CA 1.029 54.081 53.050 0.002 0.000 0.688 153 N CB -1.287 37.203 38.487 0.005 0.000 0.957 153 N HN 0.489 nan 8.380 nan 0.000 0.551 154 S N -1.831 113.866 115.700 -0.005 0.000 1.901 154 S HA -0.137 4.334 4.470 0.001 0.000 0.250 154 S C -0.471 174.123 174.600 -0.010 0.000 1.285 154 S CA 0.421 58.615 58.200 -0.010 0.000 1.166 154 S CB -0.697 62.495 63.200 -0.012 0.000 1.458 154 S HN 0.595 nan 8.310 nan 0.000 0.610 155 D N 2.121 122.517 120.400 -0.008 0.000 2.344 155 D HA 0.198 4.838 4.640 0.001 0.000 0.253 155 D C 1.013 177.307 176.300 -0.009 0.000 1.255 155 D CA 0.199 54.195 54.000 -0.008 0.000 0.894 155 D CB 0.598 41.395 40.800 -0.006 0.000 1.067 155 D HN 0.474 nan 8.370 nan 0.000 0.492 156 E N 1.282 121.476 120.200 -0.011 0.000 2.204 156 E HA -0.161 4.190 4.350 0.001 0.000 0.195 156 E C 1.894 178.487 176.600 -0.011 0.000 0.990 156 E CA 1.239 57.632 56.400 -0.012 0.000 0.821 156 E CB 0.229 29.921 29.700 -0.013 0.000 0.750 156 E HN 0.630 nan 8.360 nan 0.000 0.477 157 T N -1.267 113.281 114.554 -0.010 0.000 2.777 157 T HA -0.096 4.254 4.350 0.001 0.000 0.266 157 T C 2.129 176.823 174.700 -0.011 0.000 1.040 157 T CA 1.004 63.098 62.100 -0.010 0.000 1.141 157 T CB -0.550 68.312 68.868 -0.009 0.000 0.868 157 T HN -0.037 nan 8.240 nan 0.000 0.444 158 V N 2.057 121.965 119.914 -0.010 0.000 2.343 158 V HA -0.007 4.114 4.120 0.001 0.000 0.247 158 V C 3.116 179.202 176.094 -0.013 0.000 1.051 158 V CA 1.878 64.171 62.300 -0.012 0.000 1.036 158 V CB -1.545 30.273 31.823 -0.009 0.000 0.654 158 V HN 0.706 nan 8.190 nan 0.000 0.451 159 G N -0.675 108.117 108.800 -0.012 0.000 2.421 159 G HA2 -0.259 3.702 3.960 0.001 0.000 0.216 159 G HA3 -0.259 3.702 3.960 0.001 0.000 0.216 159 G C 1.677 176.569 174.900 -0.013 0.000 1.171 159 G CA 0.800 45.893 45.100 -0.012 0.000 0.775 159 G HN 0.371 nan 8.290 nan 0.000 0.543 160 K N -0.194 120.199 120.400 -0.013 0.000 2.097 160 K HA 0.009 4.330 4.320 0.001 0.000 0.205 160 K C 2.528 179.120 176.600 -0.014 0.000 1.050 160 K CA 0.643 56.922 56.287 -0.012 0.000 0.938 160 K CB -0.293 32.200 32.500 -0.012 0.000 0.718 160 K HN 0.222 nan 8.250 nan 0.000 0.442 161 L N 1.349 122.563 121.223 -0.015 0.000 1.994 161 L HA -0.147 4.194 4.340 0.001 0.000 0.208 161 L C 2.365 179.223 176.870 -0.021 0.000 1.071 161 L CA 1.477 56.307 54.840 -0.017 0.000 0.745 161 L CB -0.633 41.415 42.059 -0.018 0.000 0.892 161 L HN 0.132 nan 8.230 nan 0.000 0.431 162 I N -0.943 119.613 120.570 -0.023 0.000 2.208 162 I HA -0.353 3.818 4.170 0.001 0.000 0.245 162 I C 2.551 178.655 176.117 -0.022 0.000 1.097 162 I CA 1.287 62.571 61.300 -0.027 0.000 1.363 162 I CB -0.522 37.462 38.000 -0.028 0.000 1.051 162 I HN 0.267 nan 8.210 nan 0.000 0.413 163 A N 0.110 122.920 122.820 -0.017 0.000 1.902 163 A HA -0.226 4.095 4.320 0.001 0.000 0.217 163 A C 2.226 179.801 177.584 -0.014 0.000 1.181 163 A CA 1.575 53.604 52.037 -0.014 0.000 0.623 163 A CB -0.582 18.411 19.000 -0.012 0.000 0.818 163 A HN 0.419 nan 8.150 nan 0.000 0.443 164 E N -0.567 119.625 120.200 -0.014 0.000 2.338 164 E HA -0.064 4.286 4.350 0.001 0.000 0.197 164 E C 2.077 178.668 176.600 -0.015 0.000 1.007 164 E CA 0.607 56.999 56.400 -0.014 0.000 0.849 164 E CB -0.134 29.558 29.700 -0.013 0.000 0.774 164 E HN 0.646 nan 8.360 nan 0.000 0.506 165 A N 0.761 123.570 122.820 -0.018 0.000 1.850 165 A HA -0.056 4.264 4.320 0.001 0.000 0.212 165 A C 2.093 179.666 177.584 -0.018 0.000 1.208 165 A CA 0.585 52.610 52.037 -0.020 0.000 0.609 165 A CB -0.270 18.715 19.000 -0.027 0.000 0.860 165 A HN 0.082 nan 8.150 nan 0.000 0.448 166 M N -0.686 118.903 119.600 -0.019 0.000 2.159 166 M HA -0.145 4.336 4.480 0.001 0.000 0.263 166 M C 1.607 177.899 176.300 -0.012 0.000 1.063 166 M CA 1.939 57.230 55.300 -0.016 0.000 1.110 166 M CB -0.515 32.076 32.600 -0.016 0.000 1.374 166 M HN 0.456 nan 8.290 nan 0.000 0.411 167 D N 0.179 120.572 120.400 -0.011 0.000 2.363 167 D HA -0.062 4.579 4.640 0.001 0.000 0.220 167 D C 1.721 178.016 176.300 -0.009 0.000 0.994 167 D CA 0.871 54.866 54.000 -0.009 0.000 0.890 167 D CB 0.328 41.123 40.800 -0.009 0.000 0.906 167 D HN 0.240 nan 8.370 nan 0.000 0.530 168 K N -0.847 119.547 120.400 -0.010 0.000 2.190 168 K HA 0.088 4.408 4.320 0.001 0.000 0.202 168 K C 1.698 178.292 176.600 -0.009 0.000 1.045 168 K CA 0.242 56.523 56.287 -0.010 0.000 0.976 168 K CB 0.266 32.760 32.500 -0.011 0.000 0.849 168 K HN -0.021 nan 8.250 nan 0.000 0.468 169 V N 0.637 120.544 119.914 -0.011 0.000 3.052 169 V HA 0.124 4.244 4.120 0.001 0.000 0.254 169 V C 0.446 176.535 176.094 -0.009 0.000 1.100 169 V CA 1.274 63.567 62.300 -0.010 0.000 1.112 169 V CB -0.006 31.809 31.823 -0.013 0.000 0.738 169 V HN 0.603 nan 8.190 nan 0.000 0.469 170 G N -0.096 108.699 108.800 -0.008 0.000 2.707 170 G HA2 -0.198 3.762 3.960 0.001 0.000 0.686 170 G HA3 -0.198 3.762 3.960 0.001 0.000 0.686 170 G C 0.102 174.998 174.900 -0.006 0.000 1.315 170 G CA 0.098 45.195 45.100 -0.006 0.000 0.832 170 G HN 0.280 nan 8.290 nan 0.000 0.573 171 K N 0.133 120.531 120.400 -0.004 0.000 2.062 171 K HA -0.003 4.318 4.320 0.001 0.000 0.205 171 K C 2.007 178.606 176.600 -0.001 0.000 1.051 171 K CA 1.875 58.161 56.287 -0.002 0.000 0.941 171 K CB 0.014 32.514 32.500 0.000 0.000 0.719 171 K HN 0.495 nan 8.250 nan 0.000 0.440 172 E N 0.300 120.500 120.200 -0.000 0.000 2.489 172 E HA 0.048 4.399 4.350 0.001 0.000 0.193 172 E C 0.450 177.049 176.600 -0.001 0.000 1.057 172 E CA -0.018 56.383 56.400 0.001 0.000 0.866 172 E CB 0.508 30.210 29.700 0.003 0.000 0.916 172 E HN 0.266 nan 8.360 nan 0.000 0.500 173 G N 0.309 109.106 108.800 -0.004 0.000 2.503 173 G HA2 0.337 4.297 3.960 0.001 0.000 0.257 173 G HA3 0.337 4.297 3.960 0.001 0.000 0.257 173 G C -0.078 174.815 174.900 -0.011 0.000 1.214 173 G CA -0.587 44.509 45.100 -0.007 0.000 0.839 173 G HN -0.005 nan 8.290 nan 0.000 0.559 174 V N 1.348 121.254 119.914 -0.014 0.000 2.686 174 V HA 0.421 4.542 4.120 0.001 0.000 0.295 174 V C -0.002 176.075 176.094 -0.028 0.000 1.057 174 V CA -0.235 62.052 62.300 -0.021 0.000 1.012 174 V CB 1.202 33.013 31.823 -0.021 0.000 1.006 174 V HN 0.519 nan 8.190 nan 0.000 0.477 175 I N 3.025 123.571 120.570 -0.039 0.000 2.582 175 I HA 0.637 4.808 4.170 0.001 0.000 0.292 175 I C 0.131 176.211 176.117 -0.062 0.000 1.066 175 I CA -0.013 61.258 61.300 -0.048 0.000 1.053 175 I CB 2.325 40.292 38.000 -0.054 0.000 1.241 175 I HN 0.845 nan 8.210 nan 0.000 0.421 176 T N 2.340 116.860 114.554 -0.055 0.000 2.864 176 T HA 0.901 5.251 4.350 0.001 0.000 0.289 176 T C -0.922 173.746 174.700 -0.053 0.000 1.082 176 T CA -0.769 61.296 62.100 -0.058 0.000 1.009 176 T CB 1.730 70.573 68.868 -0.041 0.000 1.234 176 T HN 0.239 nan 8.240 nan 0.000 0.526 177 V N 1.307 121.192 119.914 -0.048 0.000 2.604 177 V HA 0.648 4.768 4.120 0.001 0.000 0.305 177 V C -0.416 175.666 176.094 -0.020 0.000 1.043 177 V CA -0.824 61.455 62.300 -0.035 0.000 0.888 177 V CB 1.496 33.296 31.823 -0.039 0.000 0.995 177 V HN 1.026 nan 8.190 nan 0.000 0.429 178 E N 1.552 121.742 120.200 -0.016 0.000 2.392 178 E HA 0.447 4.797 4.350 0.001 0.000 0.269 178 E C -1.586 175.010 176.600 -0.007 0.000 0.924 178 E CA -1.036 55.357 56.400 -0.011 0.000 0.784 178 E CB 2.020 31.712 29.700 -0.013 0.000 1.292 178 E HN 0.618 nan 8.360 nan 0.000 0.447 179 D N 0.726 121.123 120.400 -0.005 0.000 2.357 179 D HA 0.209 4.850 4.640 0.001 0.000 0.242 179 D C 0.130 176.428 176.300 -0.004 0.000 1.153 179 D CA 0.015 54.014 54.000 -0.003 0.000 0.918 179 D CB 0.822 41.621 40.800 -0.001 0.000 1.181 179 D HN 0.497 nan 8.370 nan 0.000 0.435 180 G N -0.790 108.009 108.800 -0.003 0.000 2.372 180 G HA2 0.330 4.290 3.960 0.001 0.000 0.283 180 G HA3 0.330 4.290 3.960 0.001 0.000 0.283 180 G C 1.055 175.953 174.900 -0.004 0.000 1.177 180 G CA -0.314 44.784 45.100 -0.004 0.000 0.842 180 G HN 0.426 nan 8.290 nan 0.000 0.503 181 T N 0.708 115.259 114.554 -0.005 0.000 2.755 181 T HA 0.371 4.722 4.350 0.001 0.000 0.251 181 T C 1.281 175.979 174.700 -0.004 0.000 1.044 181 T CA 0.977 63.074 62.100 -0.004 0.000 1.154 181 T CB -0.111 68.754 68.868 -0.006 0.000 0.866 181 T HN 0.848 nan 8.240 nan 0.000 0.416 182 G N 0.162 108.959 108.800 -0.004 0.000 3.166 182 G HA2 0.538 4.498 3.960 0.001 0.000 0.267 182 G HA3 0.538 4.498 3.960 0.001 0.000 0.267 182 G C -0.110 174.788 174.900 -0.003 0.000 1.256 182 G CA -0.286 44.812 45.100 -0.003 0.000 0.859 182 G HN 0.269 nan 8.290 nan 0.000 0.590 183 L N -0.593 120.628 121.223 -0.003 0.000 2.395 183 L HA 0.313 4.653 4.340 0.001 0.000 0.218 183 L C 0.738 177.605 176.870 -0.004 0.000 1.130 183 L CA 1.015 55.853 54.840 -0.003 0.000 0.826 183 L CB -0.288 41.770 42.059 -0.003 0.000 0.941 183 L HN 0.257 nan 8.230 nan 0.000 0.451 184 Q N 0.333 120.131 119.800 -0.005 0.000 2.266 184 Q HA 0.240 4.581 4.340 0.001 0.000 0.261 184 Q C -0.792 175.204 176.000 -0.006 0.000 0.985 184 Q CA -0.530 55.270 55.803 -0.006 0.000 0.873 184 Q CB 1.482 30.216 28.738 -0.006 0.000 1.306 184 Q HN 0.261 nan 8.270 nan 0.000 0.447 185 D N 1.087 121.482 120.400 -0.007 0.000 2.382 185 D HA 0.091 4.732 4.640 0.001 0.000 0.240 185 D C -0.428 175.866 176.300 -0.009 0.000 1.146 185 D CA 0.437 54.432 54.000 -0.008 0.000 0.897 185 D CB 0.732 41.526 40.800 -0.010 0.000 1.197 185 D HN 0.175 nan 8.370 nan 0.000 0.432 186 E N 0.817 121.011 120.200 -0.010 0.000 2.185 186 E HA 0.327 4.678 4.350 0.001 0.000 0.261 186 E C -1.056 175.537 176.600 -0.012 0.000 0.879 186 E CA -0.625 55.768 56.400 -0.010 0.000 0.756 186 E CB 1.690 31.384 29.700 -0.010 0.000 1.152 186 E HN 0.289 nan 8.360 nan 0.000 0.416 187 L N 4.404 125.620 121.223 -0.013 0.000 2.276 187 L HA 0.347 4.688 4.340 0.001 0.000 0.286 187 L C -0.870 175.991 176.870 -0.014 0.000 1.024 187 L CA -0.376 54.455 54.840 -0.014 0.000 0.826 187 L CB 0.447 42.497 42.059 -0.015 0.000 1.211 187 L HN 0.456 nan 8.230 nan 0.000 0.422 188 D N 3.745 124.136 120.400 -0.015 0.000 2.272 188 D HA 0.517 5.158 4.640 0.001 0.000 0.247 188 D C -0.709 175.582 176.300 -0.015 0.000 0.990 188 D CA -0.190 53.802 54.000 -0.014 0.000 0.931 188 D CB 2.673 43.465 40.800 -0.014 0.000 1.195 188 D HN 0.306 nan 8.370 nan 0.000 0.477 189 V N -1.486 118.420 119.914 -0.014 0.000 2.680 189 V HA 0.876 4.997 4.120 0.001 0.000 0.309 189 V C -0.267 175.820 176.094 -0.013 0.000 1.052 189 V CA -0.574 61.718 62.300 -0.013 0.000 0.908 189 V CB 1.617 33.433 31.823 -0.012 0.000 1.001 189 V HN 0.394 nan 8.190 nan 0.000 0.431 190 V N 1.409 121.316 119.914 -0.013 0.000 3.258 190 V HA 0.539 4.659 4.120 0.001 0.000 0.298 190 V C -0.898 175.190 176.094 -0.011 0.000 1.489 190 V CA -0.458 61.835 62.300 -0.013 0.000 1.062 190 V CB 2.413 34.227 31.823 -0.015 0.000 1.116 190 V HN 1.100 nan 8.190 nan 0.000 0.464 191 E N 0.356 120.550 120.200 -0.011 0.000 2.359 191 E HA 0.757 5.108 4.350 0.001 0.000 0.255 191 E C 0.163 176.759 176.600 -0.006 0.000 1.191 191 E CA 0.570 56.965 56.400 -0.007 0.000 0.952 191 E CB 1.345 31.041 29.700 -0.008 0.000 1.152 191 E HN 1.358 nan 8.360 nan 0.000 0.496 192 G N -0.434 108.366 108.800 0.001 0.000 2.320 192 G HA2 0.219 4.180 3.960 0.001 0.000 0.274 192 G HA3 0.219 4.180 3.960 0.001 0.000 0.274 192 G C -1.442 173.473 174.900 0.024 0.000 1.324 192 G CA -0.292 44.814 45.100 0.010 0.000 0.957 192 G HN 0.422 nan 8.290 nan 0.000 0.481 193 M N 0.684 120.308 119.600 0.039 0.000 2.296 193 M HA 0.449 4.930 4.480 0.001 0.000 0.268 193 M C -1.115 175.227 176.300 0.069 0.000 1.048 193 M CA -0.548 54.795 55.300 0.071 0.000 0.966 193 M CB 1.914 34.583 32.600 0.115 0.000 1.912 193 M HN 0.835 nan 8.290 nan 0.000 0.484 194 Q N 4.789 124.612 119.800 0.039 0.000 2.288 194 Q HA 0.526 4.867 4.340 0.001 0.000 0.254 194 Q C -1.856 174.211 176.000 0.112 0.000 0.932 194 Q CA -0.258 55.538 55.803 -0.011 0.000 0.902 194 Q CB 0.824 29.551 28.738 -0.018 0.000 1.203 194 Q HN 0.572 nan 8.270 nan 0.000 0.415 195 F N 0.721 120.673 119.950 0.003 0.000 2.556 195 F HA 0.424 4.952 4.527 0.001 0.000 0.314 195 F C -0.934 174.870 175.800 0.007 0.000 1.106 195 F CA -1.347 56.654 58.000 0.002 0.000 0.911 195 F CB 1.147 40.147 39.000 0.001 0.000 1.190 195 F HN 0.350 nan 8.300 nan 0.000 0.448 196 D N 2.602 123.118 120.400 0.193 0.000 2.994 196 D HA 0.266 4.906 4.640 0.001 0.000 0.240 196 D C -0.474 175.887 176.300 0.103 0.000 1.195 196 D CA 0.288 54.340 54.000 0.087 0.000 0.957 196 D CB -0.062 40.782 40.800 0.073 0.000 1.105 196 D HN 0.394 nan 8.370 nan 0.000 0.477 197 R N -0.198 120.368 120.500 0.110 0.000 2.621 197 R HA 0.651 4.992 4.340 0.001 0.000 0.284 197 R C 0.285 176.585 176.300 -0.000 0.000 0.998 197 R CA -0.661 55.499 56.100 0.101 0.000 0.895 197 R CB 1.662 32.102 30.300 0.232 0.000 1.195 197 R HN 0.208 nan 8.270 nan 0.000 0.450 198 G N 1.230 109.993 108.800 -0.063 0.000 2.525 198 G HA2 0.239 4.200 3.960 0.001 0.000 0.287 198 G HA3 0.239 4.200 3.960 0.001 0.000 0.287 198 G C -0.810 174.051 174.900 -0.065 0.000 1.350 198 G CA -0.450 44.542 45.100 -0.180 0.000 1.039 198 G HN 0.568 nan 8.290 nan 0.000 0.513 199 Y N -1.436 118.917 120.300 0.088 0.000 2.550 199 Y HA 0.302 4.853 4.550 0.001 0.000 0.343 199 Y C 1.135 177.136 175.900 0.167 0.000 1.245 199 Y CA -0.949 57.254 58.100 0.172 0.000 1.462 199 Y CB 0.335 38.930 38.460 0.225 0.000 1.340 199 Y HN 0.167 nan 8.280 nan 0.000 0.604 200 L N 1.391 122.915 121.223 0.501 0.000 2.591 200 L HA 0.176 4.517 4.340 0.001 0.000 0.228 200 L C 0.619 177.610 176.870 0.202 0.000 1.133 200 L CA 0.594 55.639 54.840 0.341 0.000 0.880 200 L CB -0.117 42.129 42.059 0.311 0.000 1.033 200 L HN 0.744 nan 8.230 nan 0.000 0.450 201 S N -1.491 114.240 115.700 0.052 0.000 2.543 201 S HA 0.370 4.840 4.470 0.001 0.000 0.273 201 S C -2.265 171.941 174.600 -0.657 0.000 1.152 201 S CA -0.865 57.121 58.200 -0.357 0.000 0.910 201 S CB 1.788 64.505 63.200 -0.805 0.000 1.105 201 S HN -0.256 nan 8.310 nan 0.000 0.465 202 P HA 0.006 nan 4.420 nan 0.000 0.222 202 P C 0.497 177.394 177.300 -0.671 0.000 1.147 202 P CA 0.944 63.553 63.100 -0.818 0.000 0.790 202 P CB -0.103 31.289 31.700 -0.513 0.000 0.780 203 Y N -2.332 117.675 120.300 -0.488 0.000 2.639 203 Y HA -0.066 4.485 4.550 0.001 0.000 0.297 203 Y C 1.517 177.285 175.900 -0.221 0.000 1.151 203 Y CA 0.431 58.328 58.100 -0.339 0.000 1.335 203 Y CB -0.823 37.452 38.460 -0.309 0.000 0.994 203 Y HN -0.084 nan 8.280 nan 0.000 0.548 204 F N -0.459 119.434 119.950 -0.096 0.000 2.661 204 F HA 0.060 4.587 4.527 0.001 0.000 0.298 204 F C 0.879 176.604 175.800 -0.126 0.000 1.137 204 F CA -0.561 57.384 58.000 -0.091 0.000 1.454 204 F CB -0.870 38.078 39.000 -0.086 0.000 1.103 204 F HN -0.132 nan 8.300 nan 0.000 0.577 205 I N 3.103 123.633 120.570 -0.068 0.000 2.576 205 I HA -0.085 4.086 4.170 0.001 0.000 0.288 205 I C 1.155 177.256 176.117 -0.025 0.000 1.126 205 I CA -0.029 61.222 61.300 -0.081 0.000 1.362 205 I CB 0.170 38.062 38.000 -0.179 0.000 1.419 205 I HN 0.130 nan 8.210 nan 0.000 0.533 206 N N 6.035 124.740 118.700 0.009 0.000 2.422 206 N HA -0.046 4.694 4.740 0.001 0.000 0.181 206 N C 0.083 175.595 175.510 0.005 0.000 1.080 206 N CA 0.391 53.448 53.050 0.011 0.000 0.893 206 N CB 0.347 38.847 38.487 0.022 0.000 0.973 206 N HN 0.311 nan 8.380 nan 0.000 0.456 207 K N 1.601 122.005 120.400 0.006 0.000 2.562 207 K HA 0.295 4.616 4.320 0.001 0.000 0.206 207 K C -1.985 174.617 176.600 0.002 0.000 1.033 207 K CA -1.594 54.699 56.287 0.010 0.000 1.029 207 K CB 2.197 34.713 32.500 0.026 0.000 1.393 207 K HN 0.078 nan 8.250 nan 0.000 0.539 208 P HA -0.052 nan 4.420 nan 0.000 0.227 208 P C 0.236 177.525 177.300 -0.018 0.000 1.161 208 P CA 0.682 63.764 63.100 -0.031 0.000 0.788 208 P CB 0.515 32.187 31.700 -0.048 0.000 0.822 209 E N -0.291 119.907 120.200 -0.004 0.000 2.461 209 E HA 0.046 4.396 4.350 0.001 0.000 0.196 209 E C 0.569 177.179 176.600 0.016 0.000 1.129 209 E CA 0.553 56.956 56.400 0.004 0.000 0.902 209 E CB -0.303 29.402 29.700 0.009 0.000 0.963 209 E HN 0.272 nan 8.360 nan 0.000 0.503 210 T N -2.011 112.553 114.554 0.017 0.000 3.500 210 T HA 0.179 4.530 4.350 0.001 0.000 0.285 210 T C 0.868 175.570 174.700 0.004 0.000 0.851 210 T CA 0.134 62.253 62.100 0.032 0.000 0.962 210 T CB 0.589 69.510 68.868 0.087 0.000 1.195 210 T HN 0.216 nan 8.240 nan 0.000 0.576 211 G N 1.974 110.783 108.800 0.015 0.000 2.207 211 G HA2 0.191 4.152 3.960 0.001 0.000 0.216 211 G HA3 0.191 4.152 3.960 0.001 0.000 0.216 211 G C -0.049 174.912 174.900 0.102 0.000 1.053 211 G CA 0.121 45.239 45.100 0.031 0.000 0.764 211 G HN 1.001 nan 8.290 nan 0.000 0.495 212 A N -0.761 122.111 122.820 0.087 0.000 2.320 212 A HA 0.920 5.241 4.320 0.001 0.000 0.334 212 A C 0.122 177.759 177.584 0.088 0.000 1.147 212 A CA -0.411 51.699 52.037 0.122 0.000 0.820 212 A CB 1.962 21.031 19.000 0.115 0.000 1.218 212 A HN 1.232 nan 8.150 nan 0.000 0.482 213 V N 1.557 121.541 119.914 0.117 0.000 2.427 213 V HA 0.447 4.567 4.120 0.001 0.000 0.286 213 V C -0.159 175.969 176.094 0.057 0.000 1.034 213 V CA -0.346 62.005 62.300 0.085 0.000 0.893 213 V CB 1.151 33.048 31.823 0.124 0.000 0.982 213 V HN 0.936 nan 8.190 nan 0.000 0.452 214 E N 4.839 125.058 120.200 0.033 0.000 2.246 214 E HA 0.663 5.014 4.350 0.001 0.000 0.266 214 E C -1.556 175.047 176.600 0.004 0.000 0.880 214 E CA -0.627 55.783 56.400 0.016 0.000 0.762 214 E CB 2.703 32.412 29.700 0.014 0.000 1.180 214 E HN 0.492 nan 8.360 nan 0.000 0.416 215 L N 2.623 123.842 121.223 -0.006 0.000 2.410 215 L HA 0.389 4.730 4.340 0.001 0.000 0.270 215 L C -0.583 176.278 176.870 -0.015 0.000 0.983 215 L CA -1.068 53.765 54.840 -0.012 0.000 0.822 215 L CB 1.880 43.926 42.059 -0.022 0.000 1.285 215 L HN 0.372 nan 8.230 nan 0.000 0.409 216 E N 1.650 121.842 120.200 -0.014 0.000 2.174 216 E HA 0.234 4.585 4.350 0.001 0.000 0.282 216 E C 0.654 177.236 176.600 -0.031 0.000 0.992 216 E CA -0.031 56.358 56.400 -0.020 0.000 0.803 216 E CB 1.507 31.199 29.700 -0.014 0.000 1.090 216 E HN 0.706 nan 8.360 nan 0.000 0.396 217 S N 0.670 116.341 115.700 -0.048 0.000 3.358 217 S HA -0.145 4.326 4.470 0.001 0.000 0.309 217 S C -1.777 172.747 174.600 -0.127 0.000 1.247 217 S CA 0.736 58.886 58.200 -0.083 0.000 0.961 217 S CB -2.032 61.122 63.200 -0.075 0.000 1.074 217 S HN 0.505 nan 8.310 nan 0.000 0.625 218 P HA 0.513 nan 4.420 nan 0.000 0.276 218 P C 0.298 177.522 177.300 -0.127 0.000 1.261 218 P CA -0.688 62.378 63.100 -0.056 0.000 0.800 218 P CB 0.295 31.997 31.700 0.003 0.000 1.066 219 F N -0.196 119.750 119.950 -0.007 0.000 2.406 219 F HA 0.314 4.841 4.527 0.001 0.000 0.327 219 F C 1.012 176.810 175.800 -0.003 0.000 1.153 219 F CA 0.248 58.245 58.000 -0.004 0.000 1.218 219 F CB 0.352 39.348 39.000 -0.006 0.000 1.215 219 F HN 0.025 nan 8.300 nan 0.000 0.570 220 I N 3.987 124.688 120.570 0.218 0.000 2.478 220 I HA 0.203 4.374 4.170 0.001 0.000 0.287 220 I C -1.288 174.897 176.117 0.114 0.000 1.042 220 I CA -0.769 60.605 61.300 0.124 0.000 1.067 220 I CB 1.807 39.858 38.000 0.085 0.000 1.233 220 I HN 0.246 nan 8.210 nan 0.000 0.431 221 L N 7.756 129.025 121.223 0.077 0.000 2.275 221 L HA 0.536 4.877 4.340 0.001 0.000 0.288 221 L C -1.032 175.858 176.870 0.035 0.000 1.046 221 L CA -0.358 54.512 54.840 0.049 0.000 0.805 221 L CB 1.199 43.278 42.059 0.033 0.000 1.193 221 L HN 0.564 nan 8.230 nan 0.000 0.426 222 L N 5.863 127.099 121.223 0.022 0.000 2.276 222 L HA 0.531 4.872 4.340 0.001 0.000 0.286 222 L C 0.131 177.000 176.870 -0.000 0.000 1.024 222 L CA -0.409 54.432 54.840 0.003 0.000 0.826 222 L CB 1.455 43.511 42.059 -0.005 0.000 1.211 222 L HN 0.713 nan 8.230 nan 0.000 0.422 223 A N 1.418 124.237 122.820 -0.001 0.000 2.288 223 A HA 0.296 4.616 4.320 0.001 0.000 0.320 223 A C 0.226 177.809 177.584 -0.003 0.000 1.217 223 A CA -0.504 51.535 52.037 0.002 0.000 0.840 223 A CB 0.871 19.878 19.000 0.011 0.000 1.179 223 A HN 0.725 nan 8.150 nan 0.000 0.504 224 D N 1.448 121.846 120.400 -0.003 0.000 2.346 224 D HA 0.096 4.737 4.640 0.001 0.000 0.248 224 D C 0.498 176.802 176.300 0.006 0.000 1.173 224 D CA 0.697 54.696 54.000 -0.002 0.000 0.878 224 D CB -0.368 40.430 40.800 -0.003 0.000 0.919 224 D HN 0.682 nan 8.370 nan 0.000 0.513 225 K N -2.229 118.178 120.400 0.011 0.000 2.454 225 K HA 0.463 4.784 4.320 0.001 0.000 0.279 225 K C -1.117 175.497 176.600 0.023 0.000 1.020 225 K CA -1.152 55.145 56.287 0.017 0.000 0.850 225 K CB 0.635 33.144 32.500 0.015 0.000 1.529 225 K HN -0.335 nan 8.250 nan 0.000 0.390 226 K N 0.928 121.344 120.400 0.026 0.000 2.174 226 K HA 0.353 4.674 4.320 0.001 0.000 0.275 226 K C -0.349 176.269 176.600 0.029 0.000 1.015 226 K CA -0.528 55.777 56.287 0.031 0.000 0.933 226 K CB 0.506 33.025 32.500 0.030 0.000 1.025 226 K HN 0.389 nan 8.250 nan 0.000 0.463 227 I N 2.669 123.260 120.570 0.036 0.000 2.416 227 I HA 0.040 4.210 4.170 0.001 0.000 0.288 227 I C 0.565 176.702 176.117 0.032 0.000 1.051 227 I CA 0.340 61.660 61.300 0.034 0.000 1.375 227 I CB 0.826 38.851 38.000 0.042 0.000 1.407 227 I HN 0.658 nan 8.210 nan 0.000 0.516 228 S N 4.783 120.497 115.700 0.025 0.000 2.499 228 S HA 0.127 4.598 4.470 0.001 0.000 0.225 228 S C 0.717 175.328 174.600 0.020 0.000 1.050 228 S CA -0.035 58.178 58.200 0.021 0.000 0.928 228 S CB 0.343 63.552 63.200 0.016 0.000 0.803 228 S HN 0.789 nan 8.310 nan 0.000 0.506 229 N N 0.148 118.860 118.700 0.019 0.000 2.710 229 N HA 0.110 4.851 4.740 0.001 0.000 0.257 229 N C -0.216 175.304 175.510 0.016 0.000 1.140 229 N CA -0.231 52.829 53.050 0.017 0.000 0.953 229 N CB 1.240 39.734 38.487 0.011 0.000 1.664 229 N HN 0.031 nan 8.380 nan 0.000 0.497 230 I N 1.345 121.925 120.570 0.017 0.000 2.657 230 I HA -0.060 4.110 4.170 0.001 0.000 0.261 230 I C 2.252 178.374 176.117 0.007 0.000 1.212 230 I CA 1.091 62.400 61.300 0.015 0.000 1.453 230 I CB -0.595 37.416 38.000 0.017 0.000 1.092 230 I HN 0.570 nan 8.210 nan 0.000 0.452 231 R N 1.519 122.023 120.500 0.005 0.000 2.117 231 R HA -0.216 4.124 4.340 0.001 0.000 0.243 231 R C 2.046 178.346 176.300 0.000 0.000 1.143 231 R CA 1.968 58.069 56.100 0.002 0.000 0.968 231 R CB -0.280 30.021 30.300 0.002 0.000 0.863 231 R HN 0.579 nan 8.270 nan 0.000 0.444 232 E N -0.583 119.618 120.200 0.003 0.000 2.333 232 E HA -0.211 4.140 4.350 0.001 0.000 0.198 232 E C 1.539 178.138 176.600 -0.002 0.000 1.007 232 E CA 1.146 57.547 56.400 0.002 0.000 0.845 232 E CB 0.027 29.731 29.700 0.007 0.000 0.766 232 E HN 0.298 nan 8.360 nan 0.000 0.507 233 M N -0.307 119.291 119.600 -0.002 0.000 2.421 233 M HA 0.137 4.617 4.480 0.001 0.000 0.258 233 M C 1.372 177.662 176.300 -0.016 0.000 1.122 233 M CA 0.267 55.563 55.300 -0.007 0.000 1.078 233 M CB 0.519 33.118 32.600 -0.000 0.000 1.380 233 M HN 0.012 nan 8.290 nan 0.000 0.499 234 L N 1.071 122.286 121.223 -0.013 0.000 1.976 234 L HA -0.228 4.113 4.340 0.001 0.000 0.223 234 L C -0.539 176.315 176.870 -0.026 0.000 1.081 234 L CA 1.895 56.725 54.840 -0.016 0.000 0.784 234 L CB -2.242 39.809 42.059 -0.012 0.000 0.896 234 L HN 0.242 nan 8.230 nan 0.000 0.438 235 P HA -0.115 nan 4.420 nan 0.000 0.216 235 P C 1.782 179.048 177.300 -0.057 0.000 1.153 235 P CA 1.947 65.024 63.100 -0.038 0.000 0.844 235 P CB -0.220 31.460 31.700 -0.033 0.000 0.787 236 V N -2.151 117.726 119.914 -0.061 0.000 2.427 236 V HA -0.177 3.944 4.120 0.001 0.000 0.248 236 V C 2.542 178.571 176.094 -0.108 0.000 1.051 236 V CA 1.419 63.663 62.300 -0.093 0.000 1.048 236 V CB -2.039 29.736 31.823 -0.080 0.000 0.666 236 V HN -0.068 nan 8.190 nan 0.000 0.456 237 L N 0.970 122.151 121.223 -0.069 0.000 1.994 237 L HA -0.101 4.240 4.340 0.001 0.000 0.208 237 L C 2.641 179.475 176.870 -0.060 0.000 1.071 237 L CA 2.520 57.326 54.840 -0.057 0.000 0.745 237 L CB -0.998 41.043 42.059 -0.030 0.000 0.892 237 L HN 0.522 nan 8.230 nan 0.000 0.431 238 E N -0.747 119.423 120.200 -0.051 0.000 2.118 238 E HA -0.249 4.101 4.350 0.001 0.000 0.195 238 E C 1.986 178.549 176.600 -0.061 0.000 0.992 238 E CA 1.149 57.523 56.400 -0.044 0.000 0.804 238 E CB -0.073 29.606 29.700 -0.035 0.000 0.741 238 E HN 0.639 nan 8.360 nan 0.000 0.458 239 A N 0.640 123.406 122.820 -0.090 0.000 1.897 239 A HA -0.117 4.204 4.320 0.001 0.000 0.215 239 A C 2.369 179.854 177.584 -0.165 0.000 1.181 239 A CA 1.503 53.470 52.037 -0.117 0.000 0.620 239 A CB -0.649 18.270 19.000 -0.135 0.000 0.821 239 A HN 0.294 nan 8.150 nan 0.000 0.443 240 V N -2.700 117.078 119.914 -0.227 0.000 2.719 240 V HA 0.108 4.228 4.120 0.001 0.000 0.252 240 V C 2.411 178.466 176.094 -0.064 0.000 1.065 240 V CA 1.452 63.592 62.300 -0.266 0.000 1.086 240 V CB -1.216 30.368 31.823 -0.398 0.000 0.700 240 V HN 0.462 nan 8.190 nan 0.000 0.467 241 A N 0.583 123.376 122.820 -0.046 0.000 1.933 241 A HA -0.164 4.157 4.320 0.001 0.000 0.218 241 A C 2.320 179.901 177.584 -0.005 0.000 1.175 241 A CA 2.090 54.121 52.037 -0.010 0.000 0.628 241 A CB -0.579 18.413 19.000 -0.014 0.000 0.814 241 A HN 0.567 nan 8.150 nan 0.000 0.444 242 K N -0.522 119.866 120.400 -0.021 0.000 2.365 242 K HA 0.089 4.409 4.320 0.001 0.000 0.199 242 K C 1.777 178.379 176.600 0.004 0.000 1.045 242 K CA 0.677 56.957 56.287 -0.012 0.000 0.962 242 K CB -0.150 32.337 32.500 -0.022 0.000 0.759 242 K HN 0.449 nan 8.250 nan 0.000 0.469 243 A N 0.059 122.886 122.820 0.011 0.000 2.208 243 A HA 0.142 4.463 4.320 0.001 0.000 0.209 243 A C 1.397 179.038 177.584 0.095 0.000 1.161 243 A CA 0.916 52.997 52.037 0.074 0.000 0.782 243 A CB -0.274 18.809 19.000 0.139 0.000 0.816 243 A HN 0.393 nan 8.150 nan 0.000 0.477 244 G N -1.049 107.791 108.800 0.066 0.000 2.157 244 G HA2 -0.235 3.726 3.960 0.001 0.000 0.248 244 G HA3 -0.235 3.726 3.960 0.001 0.000 0.248 244 G C 0.151 175.093 174.900 0.071 0.000 0.979 244 G CA 0.536 45.670 45.100 0.056 0.000 0.650 244 G HN 0.561 nan 8.290 nan 0.000 0.529 245 K N 0.700 121.168 120.400 0.114 0.000 2.156 245 K HA 0.539 4.860 4.320 0.001 0.000 0.254 245 K C -2.369 174.297 176.600 0.110 0.000 0.950 245 K CA -2.066 54.300 56.287 0.132 0.000 0.849 245 K CB 1.786 34.434 32.500 0.247 0.000 1.100 245 K HN -0.025 nan 8.250 nan 0.000 0.434 246 P HA 0.020 nan 4.420 nan 0.000 0.271 246 P C -1.087 176.263 177.300 0.083 0.000 1.244 246 P CA -0.419 62.710 63.100 0.049 0.000 0.793 246 P CB 0.484 32.193 31.700 0.014 0.000 0.984 247 L N 2.088 123.336 121.223 0.041 0.000 2.409 247 L HA 0.441 4.782 4.340 0.001 0.000 0.272 247 L C -1.533 175.334 176.870 -0.006 0.000 0.980 247 L CA -0.812 54.060 54.840 0.054 0.000 0.826 247 L CB 1.547 43.628 42.059 0.036 0.000 1.268 247 L HN 0.272 nan 8.230 nan 0.000 0.407 248 L N 6.659 127.891 121.223 0.017 0.000 2.287 248 L HA 0.494 4.835 4.340 0.001 0.000 0.287 248 L C -0.618 176.266 176.870 0.024 0.000 1.022 248 L CA -0.403 54.432 54.840 -0.009 0.000 0.814 248 L CB 1.546 43.614 42.059 0.015 0.000 1.217 248 L HN 0.586 nan 8.230 nan 0.000 0.420 249 I N 6.357 126.932 120.570 0.008 0.000 2.325 249 I HA 0.307 4.477 4.170 0.001 0.000 0.291 249 I C 0.022 176.181 176.117 0.070 0.000 1.019 249 I CA -0.272 61.049 61.300 0.036 0.000 1.302 249 I CB 1.271 39.289 38.000 0.030 0.000 1.401 249 I HN 0.450 nan 8.210 nan 0.000 0.485 250 I N 6.517 127.126 120.570 0.064 0.000 2.355 250 I HA 0.673 4.844 4.170 0.001 0.000 0.288 250 I C 0.089 176.219 176.117 0.021 0.000 0.999 250 I CA -0.184 61.148 61.300 0.053 0.000 1.163 250 I CB 1.432 39.438 38.000 0.009 0.000 1.316 250 I HN 0.655 nan 8.210 nan 0.000 0.454 251 A N 4.813 127.653 122.820 0.033 0.000 2.583 251 A HA 0.500 4.821 4.320 0.001 0.000 0.289 251 A C 0.385 177.989 177.584 0.032 0.000 1.151 251 A CA -0.563 51.490 52.037 0.028 0.000 0.695 251 A CB 1.303 20.329 19.000 0.042 0.000 1.290 251 A HN 0.704 nan 8.150 nan 0.000 0.419 252 E N -0.187 120.032 120.200 0.033 0.000 2.150 252 E HA -0.040 4.310 4.350 0.001 0.000 0.193 252 E C -0.359 176.276 176.600 0.057 0.000 0.985 252 E CA 1.177 57.605 56.400 0.045 0.000 0.814 252 E CB 0.217 29.943 29.700 0.044 0.000 0.752 252 E HN 0.545 nan 8.360 nan 0.000 0.466 253 D N -1.591 118.842 120.400 0.056 0.000 2.710 253 D HA 0.195 4.835 4.640 0.001 0.000 0.276 253 D C -1.807 174.531 176.300 0.065 0.000 1.267 253 D CA -0.479 53.559 54.000 0.062 0.000 0.772 253 D CB 2.272 43.102 40.800 0.051 0.000 1.299 253 D HN -0.239 nan 8.370 nan 0.000 0.421 254 V N 1.716 121.673 119.914 0.073 0.000 2.532 254 V HA 0.421 4.542 4.120 0.001 0.000 0.294 254 V C -0.692 175.442 176.094 0.067 0.000 1.036 254 V CA -0.634 61.711 62.300 0.076 0.000 0.876 254 V CB 1.714 33.601 31.823 0.107 0.000 1.012 254 V HN 0.442 nan 8.190 nan 0.000 0.432 255 E N 2.475 122.705 120.200 0.051 0.000 2.212 255 E HA 0.748 5.098 4.350 0.001 0.000 0.268 255 E C 0.727 177.346 176.600 0.032 0.000 0.902 255 E CA 0.994 57.417 56.400 0.039 0.000 0.779 255 E CB 1.939 31.658 29.700 0.031 0.000 1.172 255 E HN 0.933 nan 8.360 nan 0.000 0.409 256 G N 3.459 112.274 108.800 0.026 0.000 2.634 256 G HA2 -0.494 3.467 3.960 0.001 0.000 0.318 256 G HA3 -0.494 3.467 3.960 0.001 0.000 0.318 256 G C 1.149 176.058 174.900 0.015 0.000 1.207 256 G CA 0.767 45.877 45.100 0.017 0.000 0.987 256 G HN 0.652 nan 8.290 nan 0.000 0.547 257 E N 1.093 121.301 120.200 0.013 0.000 2.204 257 E HA 0.099 4.450 4.350 0.001 0.000 0.195 257 E C 2.878 179.490 176.600 0.021 0.000 0.990 257 E CA 1.698 58.104 56.400 0.011 0.000 0.821 257 E CB -0.431 29.273 29.700 0.007 0.000 0.750 257 E HN 0.808 nan 8.360 nan 0.000 0.477 258 A N 1.197 124.035 122.820 0.030 0.000 1.858 258 A HA -0.183 4.138 4.320 0.001 0.000 0.216 258 A C 2.178 179.801 177.584 0.065 0.000 1.190 258 A CA 1.321 53.385 52.037 0.044 0.000 0.617 258 A CB -0.770 18.258 19.000 0.046 0.000 0.827 258 A HN 0.424 nan 8.150 nan 0.000 0.443 259 L N -0.776 120.487 121.223 0.066 0.000 2.017 259 L HA -0.120 4.221 4.340 0.001 0.000 0.208 259 L C 2.874 179.772 176.870 0.047 0.000 1.073 259 L CA 1.544 56.434 54.840 0.082 0.000 0.745 259 L CB -0.405 41.694 42.059 0.067 0.000 0.894 259 L HN 0.399 nan 8.230 nan 0.000 0.432 260 A N -0.345 122.484 122.820 0.015 0.000 1.865 260 A HA -0.274 4.047 4.320 0.001 0.000 0.217 260 A C 2.360 179.936 177.584 -0.013 0.000 1.191 260 A CA 2.668 54.694 52.037 -0.019 0.000 0.623 260 A CB -1.361 17.625 19.000 -0.022 0.000 0.826 260 A HN 0.623 nan 8.150 nan 0.000 0.444 261 T N -1.272 113.288 114.554 0.010 0.000 2.746 261 T HA -0.077 4.274 4.350 0.001 0.000 0.267 261 T C 1.846 176.573 174.700 0.046 0.000 1.039 261 T CA 1.428 63.538 62.100 0.016 0.000 1.142 261 T CB -0.650 68.229 68.868 0.018 0.000 0.866 261 T HN 0.281 nan 8.240 nan 0.000 0.444 262 L N 0.610 121.887 121.223 0.091 0.000 2.042 262 L HA -0.075 4.266 4.340 0.001 0.000 0.210 262 L C 2.972 179.982 176.870 0.233 0.000 1.076 262 L CA 0.966 55.913 54.840 0.178 0.000 0.749 262 L CB -0.707 41.506 42.059 0.256 0.000 0.893 262 L HN 0.175 nan 8.230 nan 0.000 0.432 263 V N -0.844 119.134 119.914 0.108 0.000 2.270 263 V HA -0.241 3.880 4.120 0.001 0.000 0.245 263 V C 2.395 178.445 176.094 -0.073 0.000 1.043 263 V CA 1.555 63.831 62.300 -0.041 0.000 1.014 263 V CB -0.156 31.557 31.823 -0.182 0.000 0.645 263 V HN 0.169 nan 8.190 nan 0.000 0.447 264 V N 0.630 120.495 119.914 -0.082 0.000 2.332 264 V HA -0.253 3.868 4.120 0.001 0.000 0.248 264 V C 2.355 178.428 176.094 -0.035 0.000 1.055 264 V CA 2.303 64.549 62.300 -0.090 0.000 1.038 264 V CB -0.829 30.949 31.823 -0.074 0.000 0.651 264 V HN 0.574 nan 8.190 nan 0.000 0.450 265 N N 0.091 118.796 118.700 0.008 0.000 2.396 265 N HA -0.111 4.630 4.740 0.001 0.000 0.180 265 N C 1.900 177.438 175.510 0.047 0.000 1.028 265 N CA 1.766 54.831 53.050 0.025 0.000 0.893 265 N CB 0.027 38.533 38.487 0.032 0.000 0.967 265 N HN 0.720 nan 8.380 nan 0.000 0.440 266 T N -1.728 112.878 114.554 0.087 0.000 3.031 266 T HA -0.006 4.344 4.350 0.001 0.000 0.254 266 T C 1.629 176.387 174.700 0.098 0.000 1.060 266 T CA 0.247 62.424 62.100 0.128 0.000 1.135 266 T CB -0.396 68.638 68.868 0.278 0.000 0.896 266 T HN 0.279 nan 8.240 nan 0.000 0.472 267 M N 0.989 120.621 119.600 0.054 0.000 2.941 267 M HA 0.432 4.913 4.480 0.001 0.000 0.199 267 M C 0.382 176.694 176.300 0.021 0.000 1.245 267 M CA 0.190 55.517 55.300 0.045 0.000 1.137 267 M CB -0.312 32.251 32.600 -0.062 0.000 1.712 267 M HN 0.032 nan 8.290 nan 0.000 0.433 268 R N 0.319 120.835 120.500 0.027 0.000 3.461 268 R HA -0.077 4.264 4.340 0.001 0.000 0.302 268 R C 0.038 176.341 176.300 0.005 0.000 1.137 268 R CA 0.675 56.785 56.100 0.015 0.000 0.796 268 R CB -1.954 28.352 30.300 0.011 0.000 1.413 268 R HN 0.833 nan 8.270 nan 0.000 0.454 269 G N 0.068 108.872 108.800 0.008 0.000 3.086 269 G HA2 0.446 4.407 3.960 0.001 0.000 0.159 269 G HA3 0.446 4.407 3.960 0.001 0.000 0.159 269 G C 1.339 176.245 174.900 0.010 0.000 1.654 269 G CA 0.211 45.314 45.100 0.004 0.000 1.078 269 G HN 0.128 nan 8.290 nan 0.000 0.558 270 I N -0.930 119.647 120.570 0.012 0.000 3.194 270 I HA 0.161 4.331 4.170 0.001 0.000 0.271 270 I C -0.052 176.075 176.117 0.016 0.000 1.150 270 I CA 0.345 61.652 61.300 0.012 0.000 1.440 270 I CB 0.541 38.545 38.000 0.007 0.000 1.276 270 I HN -0.104 nan 8.210 nan 0.000 0.457 271 V N 2.658 122.584 119.914 0.020 0.000 2.370 271 V HA 0.216 4.337 4.120 0.001 0.000 0.279 271 V C -0.078 176.032 176.094 0.027 0.000 1.029 271 V CA -0.718 61.594 62.300 0.020 0.000 0.870 271 V CB 1.259 33.091 31.823 0.016 0.000 0.984 271 V HN 0.160 nan 8.190 nan 0.000 0.451 272 K N 4.987 125.400 120.400 0.021 0.000 2.262 272 K HA 0.681 5.001 4.320 0.001 0.000 0.282 272 K C -0.741 175.853 176.600 -0.010 0.000 1.066 272 K CA -0.300 55.998 56.287 0.018 0.000 0.901 272 K CB 1.064 33.575 32.500 0.019 0.000 1.089 272 K HN 0.676 nan 8.250 nan 0.000 0.476 273 V N -0.317 119.567 119.914 -0.050 0.000 3.253 273 V HA 0.953 5.074 4.120 0.001 0.000 0.300 273 V C -1.455 174.409 176.094 -0.384 0.000 1.398 273 V CA -0.893 61.327 62.300 -0.134 0.000 1.067 273 V CB 1.296 33.067 31.823 -0.087 0.000 1.102 273 V HN 0.834 nan 8.190 nan 0.000 0.455 274 A N -0.105 122.396 122.820 -0.532 0.000 2.599 274 A HA 1.115 5.435 4.320 0.001 0.000 0.290 274 A C -0.615 176.616 177.584 -0.588 0.000 1.101 274 A CA -0.359 51.003 52.037 -1.126 0.000 0.674 274 A CB 1.397 19.916 19.000 -0.801 0.000 1.277 274 A HN 2.790 nan 8.150 nan 0.000 0.419 275 A N -0.387 122.163 122.820 -0.450 0.000 2.520 275 A HA 0.837 5.157 4.320 0.001 0.000 0.298 275 A C -0.774 176.922 177.584 0.187 0.000 1.051 275 A CA 0.012 52.056 52.037 0.012 0.000 0.690 275 A CB 1.351 20.434 19.000 0.139 0.000 1.281 275 A HN 2.354 nan 8.150 nan 0.000 0.402 276 V N -1.044 118.979 119.914 0.181 0.000 2.971 276 V HA 0.650 4.771 4.120 0.001 0.000 0.309 276 V C -0.586 175.633 176.094 0.208 0.000 1.130 276 V CA -1.136 61.301 62.300 0.229 0.000 0.964 276 V CB 1.659 33.647 31.823 0.275 0.000 1.029 276 V HN 0.850 nan 8.190 nan 0.000 0.427 277 K N 2.427 122.944 120.400 0.196 0.000 2.298 277 K HA 0.682 5.003 4.320 0.001 0.000 0.280 277 K C 0.582 177.268 176.600 0.143 0.000 1.032 277 K CA 0.280 56.655 56.287 0.147 0.000 0.958 277 K CB 1.438 34.013 32.500 0.125 0.000 0.978 277 K HN 1.142 nan 8.250 nan 0.000 0.472 278 A N 5.155 127.994 122.820 0.033 0.000 2.492 278 A HA 0.171 4.492 4.320 0.001 0.000 0.236 278 A C -2.036 175.498 177.584 -0.082 0.000 1.078 278 A CA -0.861 51.104 52.037 -0.120 0.000 0.773 278 A CB -0.438 18.495 19.000 -0.111 0.000 1.023 278 A HN 0.512 nan 8.150 nan 0.000 0.504 279 P HA 0.453 nan 4.420 nan 0.000 0.274 279 P C 0.690 177.935 177.300 -0.092 0.000 1.231 279 P CA 1.234 64.283 63.100 -0.085 0.000 0.790 279 P CB 0.782 32.408 31.700 -0.123 0.000 0.951 280 G N 1.467 110.223 108.800 -0.073 0.000 2.512 280 G HA2 -0.015 3.946 3.960 0.001 0.000 0.240 280 G HA3 -0.015 3.946 3.960 0.001 0.000 0.240 280 G C -0.812 174.048 174.900 -0.065 0.000 1.246 280 G CA 0.040 45.006 45.100 -0.224 0.000 0.919 280 G HN 0.809 nan 8.290 nan 0.000 0.577 281 F N -3.449 116.497 119.950 -0.006 0.000 2.765 281 F HA 0.597 5.125 4.527 0.001 0.000 0.313 281 F C 0.887 176.687 175.800 -0.000 0.000 1.136 281 F CA 0.142 58.143 58.000 0.001 0.000 0.952 281 F CB 0.524 39.532 39.000 0.012 0.000 1.268 281 F HN 2.483 nan 8.300 nan 0.000 0.441 282 G N 2.103 111.060 108.800 0.261 0.000 2.582 282 G HA2 -0.372 3.589 3.960 0.001 0.000 0.288 282 G HA3 -0.372 3.589 3.960 0.001 0.000 0.288 282 G C 0.443 175.390 174.900 0.079 0.000 1.247 282 G CA 1.062 46.271 45.100 0.181 0.000 0.972 282 G HN 1.612 nan 8.290 nan 0.000 0.557 283 D N -0.052 120.389 120.400 0.069 0.000 2.311 283 D HA -0.052 4.589 4.640 0.001 0.000 0.212 283 D C 2.072 178.359 176.300 -0.022 0.000 0.972 283 D CA 1.591 55.605 54.000 0.023 0.000 0.887 283 D CB -0.256 40.563 40.800 0.031 0.000 0.915 283 D HN 0.474 nan 8.370 nan 0.000 0.497 284 R N 0.822 121.280 120.500 -0.069 0.000 2.152 284 R HA -0.056 4.285 4.340 0.001 0.000 0.232 284 R C 2.288 178.513 176.300 -0.125 0.000 1.117 284 R CA 1.456 57.468 56.100 -0.146 0.000 0.981 284 R CB -0.422 29.685 30.300 -0.322 0.000 0.870 284 R HN 0.479 nan 8.270 nan 0.000 0.451 285 R N 0.315 120.760 120.500 -0.092 0.000 2.152 285 R HA -0.109 4.232 4.340 0.001 0.000 0.232 285 R C 1.241 177.502 176.300 -0.065 0.000 1.117 285 R CA 1.167 57.220 56.100 -0.078 0.000 0.981 285 R CB -0.285 29.988 30.300 -0.045 0.000 0.870 285 R HN 0.011 nan 8.270 nan 0.000 0.451 286 K N 1.218 121.589 120.400 -0.049 0.000 2.020 286 K HA -0.148 4.173 4.320 0.001 0.000 0.212 286 K C 2.214 178.786 176.600 -0.046 0.000 1.050 286 K CA 1.969 58.233 56.287 -0.039 0.000 0.929 286 K CB -0.526 31.957 32.500 -0.028 0.000 0.714 286 K HN 0.375 nan 8.250 nan 0.000 0.443 287 A N 1.075 123.862 122.820 -0.055 0.000 1.898 287 A HA -0.049 4.271 4.320 0.001 0.000 0.214 287 A C 2.303 179.846 177.584 -0.067 0.000 1.183 287 A CA 1.263 53.267 52.037 -0.056 0.000 0.622 287 A CB -0.367 18.598 19.000 -0.059 0.000 0.824 287 A HN 0.202 nan 8.150 nan 0.000 0.444 288 M N -1.207 118.341 119.600 -0.087 0.000 2.175 288 M HA -0.071 4.410 4.480 0.001 0.000 0.264 288 M C 2.085 178.322 176.300 -0.105 0.000 1.063 288 M CA 1.158 56.396 55.300 -0.104 0.000 1.119 288 M CB -0.315 32.206 32.600 -0.132 0.000 1.377 288 M HN 0.399 nan 8.290 nan 0.000 0.415 289 L N 0.235 121.401 121.223 -0.095 0.000 2.156 289 L HA -0.152 4.189 4.340 0.001 0.000 0.208 289 L C 2.439 179.272 176.870 -0.062 0.000 1.095 289 L CA 1.665 56.453 54.840 -0.088 0.000 0.770 289 L CB -0.467 41.549 42.059 -0.071 0.000 0.914 289 L HN 0.237 nan 8.230 nan 0.000 0.439 290 Q N -0.529 119.241 119.800 -0.051 0.000 2.172 290 Q HA -0.169 4.172 4.340 0.001 0.000 0.200 290 Q C 1.677 177.655 176.000 -0.036 0.000 0.964 290 Q CA 1.633 57.414 55.803 -0.036 0.000 0.855 290 Q CB -0.113 28.606 28.738 -0.031 0.000 0.918 290 Q HN 0.491 nan 8.270 nan 0.000 0.444 291 D N -0.070 120.303 120.400 -0.045 0.000 2.117 291 D HA -0.153 4.488 4.640 0.001 0.000 0.197 291 D C 1.764 178.043 176.300 -0.035 0.000 0.987 291 D CA 1.296 55.273 54.000 -0.040 0.000 0.829 291 D CB -0.121 40.650 40.800 -0.048 0.000 0.961 291 D HN 0.388 nan 8.370 nan 0.000 0.460 292 I N 1.136 121.676 120.570 -0.051 0.000 2.286 292 I HA -0.186 3.985 4.170 0.001 0.000 0.245 292 I C 2.507 178.611 176.117 -0.021 0.000 1.104 292 I CA 0.803 62.077 61.300 -0.043 0.000 1.397 292 I CB -0.209 37.735 38.000 -0.093 0.000 1.072 292 I HN -0.091 nan 8.210 nan 0.000 0.417 293 A N 0.568 123.374 122.820 -0.023 0.000 1.933 293 A HA -0.194 4.127 4.320 0.001 0.000 0.218 293 A C 2.381 179.963 177.584 -0.004 0.000 1.175 293 A CA 2.413 54.446 52.037 -0.008 0.000 0.628 293 A CB -1.045 17.949 19.000 -0.010 0.000 0.814 293 A HN 0.390 nan 8.150 nan 0.000 0.444 294 T N 0.053 114.602 114.554 -0.009 0.000 2.737 294 T HA -0.122 4.229 4.350 0.001 0.000 0.265 294 T C 1.838 176.536 174.700 -0.005 0.000 1.038 294 T CA 1.467 63.563 62.100 -0.007 0.000 1.144 294 T CB -0.370 68.492 68.868 -0.011 0.000 0.866 294 T HN 0.320 nan 8.240 nan 0.000 0.434 295 L N 1.916 123.137 121.223 -0.004 0.000 2.046 295 L HA -0.059 4.282 4.340 0.001 0.000 0.208 295 L C 2.519 179.390 176.870 0.002 0.000 1.077 295 L CA 2.210 57.050 54.840 0.001 0.000 0.747 295 L CB -1.135 40.929 42.059 0.008 0.000 0.896 295 L HN 0.436 nan 8.230 nan 0.000 0.432 296 T N -3.646 110.911 114.554 0.005 0.000 3.065 296 T HA 0.315 4.665 4.350 0.001 0.000 0.252 296 T C 1.239 175.939 174.700 -0.000 0.000 1.099 296 T CA 0.271 62.373 62.100 0.004 0.000 1.063 296 T CB -0.404 68.474 68.868 0.018 0.000 0.948 296 T HN 0.733 nan 8.240 nan 0.000 0.506 297 G N 0.322 109.125 108.800 0.005 0.000 2.401 297 G HA2 0.252 4.213 3.960 0.001 0.000 0.283 297 G HA3 0.252 4.213 3.960 0.001 0.000 0.283 297 G C 0.173 175.093 174.900 0.032 0.000 1.117 297 G CA -0.232 44.875 45.100 0.012 0.000 1.051 297 G HN 1.064 nan 8.290 nan 0.000 0.510 298 G N -1.444 107.374 108.800 0.030 0.000 3.058 298 G HA2 0.914 4.874 3.960 0.001 0.000 0.282 298 G HA3 0.914 4.874 3.960 0.001 0.000 0.282 298 G C -0.631 174.282 174.900 0.023 0.000 1.248 298 G CA 0.337 45.461 45.100 0.040 0.000 0.822 298 G HN 0.821 nan 8.290 nan 0.000 0.579 299 T N 0.409 114.975 114.554 0.020 0.000 2.876 299 T HA 0.475 4.826 4.350 0.001 0.000 0.289 299 T C 0.050 174.752 174.700 0.003 0.000 1.014 299 T CA -0.331 61.774 62.100 0.009 0.000 0.986 299 T CB 1.607 70.480 68.868 0.009 0.000 1.021 299 T HN 1.117 nan 8.240 nan 0.000 0.458 300 V N 1.436 121.348 119.914 -0.004 0.000 2.377 300 V HA 0.313 4.434 4.120 0.001 0.000 0.254 300 V C 0.080 176.171 176.094 -0.005 0.000 1.060 300 V CA -0.437 61.858 62.300 -0.009 0.000 1.068 300 V CB -1.448 30.366 31.823 -0.016 0.000 1.113 300 V HN 0.690 nan 8.190 nan 0.000 0.484 301 I N 4.838 125.406 120.570 -0.003 0.000 2.460 301 I HA 0.124 4.295 4.170 0.001 0.000 0.297 301 I C 0.871 176.986 176.117 -0.003 0.000 1.139 301 I CA 1.183 62.482 61.300 -0.002 0.000 1.340 301 I CB -0.215 37.785 38.000 -0.000 0.000 1.444 301 I HN 0.622 nan 8.210 nan 0.000 0.557 302 S N 5.934 121.633 115.700 -0.003 0.000 2.448 302 S HA 0.237 4.707 4.470 0.001 0.000 0.320 302 S C 1.076 175.675 174.600 -0.001 0.000 1.071 302 S CA -0.737 57.461 58.200 -0.003 0.000 1.113 302 S CB 1.065 64.262 63.200 -0.005 0.000 0.972 302 S HN 0.490 nan 8.310 nan 0.000 0.465 303 E N 2.776 122.976 120.200 0.001 0.000 2.085 303 E HA -0.186 4.164 4.350 0.001 0.000 0.194 303 E C 0.932 177.533 176.600 0.002 0.000 0.994 303 E CA 1.275 57.676 56.400 0.002 0.000 0.801 303 E CB 0.023 29.726 29.700 0.004 0.000 0.743 303 E HN 0.724 nan 8.360 nan 0.000 0.453 304 E N 0.078 120.279 120.200 0.002 0.000 2.511 304 E HA 0.002 4.352 4.350 0.001 0.000 0.196 304 E C 0.923 177.523 176.600 0.000 0.000 1.066 304 E CA 0.162 56.563 56.400 0.002 0.000 0.871 304 E CB 0.068 29.770 29.700 0.003 0.000 0.863 304 E HN 0.286 nan 8.360 nan 0.000 0.520 305 I N -0.678 119.892 120.570 -0.001 0.000 3.569 305 I HA 0.262 4.433 4.170 0.001 0.000 0.334 305 I C 1.000 177.116 176.117 -0.001 0.000 1.570 305 I CA -0.231 61.069 61.300 -0.001 0.000 1.082 305 I CB 0.700 38.699 38.000 -0.003 0.000 1.323 305 I HN 0.085 nan 8.210 nan 0.000 0.489 306 G N 1.382 110.182 108.800 -0.000 0.000 2.245 306 G HA2 -0.305 3.655 3.960 0.001 0.000 0.264 306 G HA3 -0.305 3.655 3.960 0.001 0.000 0.264 306 G C 0.466 175.365 174.900 -0.001 0.000 0.985 306 G CA 0.225 45.325 45.100 -0.000 0.000 0.625 306 G HN 0.353 nan 8.290 nan 0.000 0.536 307 M N -0.230 119.369 119.600 -0.001 0.000 2.036 307 M HA 0.620 5.101 4.480 0.001 0.000 0.276 307 M C 0.562 176.861 176.300 -0.002 0.000 1.262 307 M CA 0.470 55.769 55.300 -0.002 0.000 1.097 307 M CB 0.571 33.170 32.600 -0.002 0.000 1.386 307 M HN 0.250 nan 8.290 nan 0.000 0.482 308 E N -0.488 119.711 120.200 -0.003 0.000 2.423 308 E HA 0.263 4.613 4.350 0.001 0.000 0.280 308 E C 0.018 176.616 176.600 -0.004 0.000 1.030 308 E CA -0.514 55.885 56.400 -0.002 0.000 0.812 308 E CB 1.795 31.494 29.700 -0.002 0.000 1.313 308 E HN 0.664 nan 8.360 nan 0.000 0.456 309 L N 1.101 122.322 121.223 -0.003 0.000 2.042 309 L HA -0.182 4.158 4.340 0.001 0.000 0.210 309 L C 1.930 178.793 176.870 -0.011 0.000 1.076 309 L CA 1.465 56.302 54.840 -0.005 0.000 0.749 309 L CB -0.392 41.666 42.059 -0.001 0.000 0.893 309 L HN 0.598 nan 8.230 nan 0.000 0.432 310 E N 0.387 120.581 120.200 -0.010 0.000 2.204 310 E HA -0.215 4.136 4.350 0.001 0.000 0.195 310 E C 1.807 178.397 176.600 -0.017 0.000 0.990 310 E CA 1.015 57.407 56.400 -0.014 0.000 0.821 310 E CB 0.006 29.700 29.700 -0.010 0.000 0.750 310 E HN 0.385 nan 8.360 nan 0.000 0.477 311 K N 0.303 120.695 120.400 -0.014 0.000 2.393 311 K HA 0.158 4.478 4.320 0.001 0.000 0.193 311 K C 0.491 177.081 176.600 -0.017 0.000 1.026 311 K CA 0.191 56.470 56.287 -0.014 0.000 1.064 311 K CB 0.554 33.048 32.500 -0.009 0.000 0.833 311 K HN 0.041 nan 8.250 nan 0.000 0.521 312 A N 0.199 123.008 122.820 -0.019 0.000 2.251 312 A HA 0.569 4.889 4.320 0.001 0.000 0.278 312 A C 0.235 177.797 177.584 -0.036 0.000 1.206 312 A CA 0.083 52.107 52.037 -0.022 0.000 0.822 312 A CB 0.454 19.443 19.000 -0.018 0.000 1.187 312 A HN 0.147 nan 8.150 nan 0.000 0.504 313 T N -1.771 112.757 114.554 -0.043 0.000 2.718 313 T HA 0.344 4.694 4.350 0.001 0.000 0.306 313 T C 0.615 175.266 174.700 -0.083 0.000 1.485 313 T CA -0.522 61.536 62.100 -0.069 0.000 0.997 313 T CB 0.495 69.334 68.868 -0.049 0.000 1.504 313 T HN 0.355 nan 8.240 nan 0.000 0.497 314 L N 1.075 122.214 121.223 -0.139 0.000 2.189 314 L HA -0.117 4.224 4.340 0.001 0.000 0.214 314 L C 2.466 179.378 176.870 0.071 0.000 1.097 314 L CA 1.884 56.621 54.840 -0.173 0.000 0.764 314 L CB -0.869 41.046 42.059 -0.240 0.000 0.900 314 L HN 0.800 nan 8.230 nan 0.000 0.436 315 E N -0.865 119.363 120.200 0.046 0.000 2.106 315 E HA -0.203 4.147 4.350 0.001 0.000 0.192 315 E C 1.250 177.887 176.600 0.061 0.000 0.984 315 E CA 1.405 57.844 56.400 0.064 0.000 0.806 315 E CB -0.366 29.354 29.700 0.034 0.000 0.750 315 E HN 0.508 nan 8.360 nan 0.000 0.458 316 D N 0.558 120.981 120.400 0.038 0.000 2.213 316 D HA 0.018 4.659 4.640 0.001 0.000 0.205 316 D C 0.308 176.640 176.300 0.054 0.000 0.961 316 D CA 0.298 54.318 54.000 0.033 0.000 0.853 316 D CB 0.118 40.925 40.800 0.011 0.000 0.967 316 D HN 0.113 nan 8.370 nan 0.000 0.496 317 L N 1.256 122.525 121.223 0.077 0.000 2.416 317 L HA 0.242 4.582 4.340 0.001 0.000 0.272 317 L C 1.391 178.391 176.870 0.218 0.000 1.161 317 L CA 0.145 55.072 54.840 0.145 0.000 0.845 317 L CB 0.848 42.993 42.059 0.144 0.000 1.119 317 L HN -0.159 nan 8.230 nan 0.000 0.464 318 G N 2.287 111.182 108.800 0.158 0.000 2.616 318 G HA2 0.515 4.476 3.960 0.001 0.000 0.268 318 G HA3 0.515 4.476 3.960 0.001 0.000 0.268 318 G C -0.718 174.215 174.900 0.054 0.000 1.213 318 G CA -0.371 44.786 45.100 0.095 0.000 0.926 318 G HN 0.572 nan 8.290 nan 0.000 0.523 319 Q N -1.606 118.153 119.800 -0.069 0.000 2.456 319 Q HA 0.610 4.951 4.340 0.001 0.000 0.284 319 Q C -0.945 174.989 176.000 -0.110 0.000 1.061 319 Q CA -0.879 54.804 55.803 -0.199 0.000 0.799 319 Q CB 2.634 31.122 28.738 -0.415 0.000 1.445 319 Q HN 0.799 nan 8.270 nan 0.000 0.411 320 A N 0.724 123.479 122.820 -0.107 0.000 2.475 320 A HA 0.388 4.709 4.320 0.001 0.000 0.301 320 A C 0.003 177.540 177.584 -0.078 0.000 1.059 320 A CA -0.594 51.404 52.037 -0.066 0.000 0.710 320 A CB 1.625 20.611 19.000 -0.024 0.000 1.288 320 A HN 0.815 nan 8.150 nan 0.000 0.408 321 K N -0.081 120.283 120.400 -0.061 0.000 2.152 321 K HA -0.059 4.261 4.320 0.001 0.000 0.206 321 K C 0.652 177.225 176.600 -0.046 0.000 1.048 321 K CA 1.538 57.792 56.287 -0.055 0.000 0.933 321 K CB 0.013 32.488 32.500 -0.042 0.000 0.721 321 K HN 0.648 nan 8.250 nan 0.000 0.447 322 R N -1.417 119.060 120.500 -0.037 0.000 2.716 322 R HA 0.385 4.726 4.340 0.001 0.000 0.271 322 R C -2.082 174.202 176.300 -0.026 0.000 1.028 322 R CA -0.719 55.363 56.100 -0.030 0.000 0.883 322 R CB 2.435 32.720 30.300 -0.025 0.000 1.250 322 R HN -0.054 nan 8.270 nan 0.000 0.465 323 V N 2.520 122.420 119.914 -0.023 0.000 2.808 323 V HA 0.757 4.878 4.120 0.001 0.000 0.308 323 V C -1.422 174.658 176.094 -0.024 0.000 1.099 323 V CA -0.440 61.845 62.300 -0.024 0.000 0.920 323 V CB 2.080 33.894 31.823 -0.014 0.000 1.014 323 V HN 0.578 nan 8.190 nan 0.000 0.425 324 V N 4.711 124.604 119.914 -0.035 0.000 2.841 324 V HA 0.855 4.976 4.120 0.001 0.000 0.310 324 V C -1.195 174.883 176.094 -0.026 0.000 1.090 324 V CA -0.676 61.615 62.300 -0.015 0.000 0.930 324 V CB 1.833 33.652 31.823 -0.007 0.000 1.014 324 V HN 0.763 nan 8.190 nan 0.000 0.425 325 I N 4.468 125.056 120.570 0.031 0.000 2.656 325 I HA 0.632 4.803 4.170 0.001 0.000 0.292 325 I C -0.305 175.900 176.117 0.147 0.000 1.144 325 I CA -0.270 61.064 61.300 0.056 0.000 1.038 325 I CB 2.209 40.276 38.000 0.112 0.000 1.244 325 I HN 0.986 nan 8.210 nan 0.000 0.420 326 N N 4.227 122.972 118.700 0.075 0.000 3.100 326 N HA 0.342 5.082 4.740 0.001 0.000 0.344 326 N C 0.507 175.832 175.510 -0.308 0.000 1.413 326 N CA -0.748 52.340 53.050 0.063 0.000 0.752 326 N CB 0.759 39.263 38.487 0.027 0.000 1.519 326 N HN 0.544 nan 8.380 nan 0.000 0.620 327 K N -1.173 119.003 120.400 -0.373 0.000 2.360 327 K HA -0.116 4.205 4.320 0.001 0.000 0.201 327 K C -0.198 176.114 176.600 -0.479 0.000 1.046 327 K CA 2.020 57.913 56.287 -0.657 0.000 0.945 327 K CB -0.046 32.309 32.500 -0.241 0.000 0.750 327 K HN 0.685 nan 8.250 nan 0.000 0.464 328 D N -2.475 117.751 120.400 -0.291 0.000 2.480 328 D HA 0.046 4.687 4.640 0.001 0.000 0.276 328 D C -0.358 175.877 176.300 -0.109 0.000 1.294 328 D CA -0.196 53.701 54.000 -0.170 0.000 0.829 328 D CB 0.602 41.336 40.800 -0.110 0.000 1.242 328 D HN -0.139 nan 8.370 nan 0.000 0.513 329 T N -0.366 114.116 114.554 -0.120 0.000 2.885 329 T HA 0.535 4.886 4.350 0.001 0.000 0.322 329 T C -1.246 173.352 174.700 -0.170 0.000 1.387 329 T CA -0.323 61.711 62.100 -0.110 0.000 1.041 329 T CB 2.302 71.132 68.868 -0.064 0.000 1.287 329 T HN -0.137 nan 8.240 nan 0.000 0.491 330 T N 1.523 115.880 114.554 -0.328 0.000 2.908 330 T HA 0.787 5.137 4.350 0.001 0.000 0.290 330 T C -0.766 173.639 174.700 -0.493 0.000 1.034 330 T CA -0.564 61.236 62.100 -0.500 0.000 1.010 330 T CB 1.896 70.167 68.868 -0.995 0.000 1.068 330 T HN 0.614 nan 8.240 nan 0.000 0.481 331 T N 1.983 116.341 114.554 -0.327 0.000 2.952 331 T HA 0.618 4.968 4.350 0.001 0.000 0.305 331 T C -0.706 173.915 174.700 -0.131 0.000 1.064 331 T CA -0.817 61.151 62.100 -0.220 0.000 1.008 331 T CB 0.354 69.154 68.868 -0.114 0.000 1.078 331 T HN 0.589 nan 8.240 nan 0.000 0.459 332 I N 2.776 123.314 120.570 -0.054 0.000 2.532 332 I HA 0.653 4.823 4.170 0.001 0.000 0.292 332 I C -0.595 175.518 176.117 -0.006 0.000 1.014 332 I CA -0.830 60.469 61.300 -0.001 0.000 1.340 332 I CB 0.923 38.958 38.000 0.060 0.000 1.422 332 I HN 0.510 nan 8.210 nan 0.000 0.528 333 I N 3.345 123.907 120.570 -0.012 0.000 2.389 333 I HA 0.227 4.398 4.170 0.001 0.000 0.288 333 I C -0.616 175.491 176.117 -0.017 0.000 0.999 333 I CA -0.564 60.726 61.300 -0.016 0.000 1.129 333 I CB 1.425 39.412 38.000 -0.022 0.000 1.288 333 I HN 0.709 nan 8.210 nan 0.000 0.444 334 D N 5.439 125.831 120.400 -0.014 0.000 3.284 334 D HA -0.148 4.493 4.640 0.001 0.000 0.205 334 D C 0.494 176.782 176.300 -0.020 0.000 1.175 334 D CA 0.904 54.895 54.000 -0.016 0.000 0.970 334 D CB 0.023 40.811 40.800 -0.020 0.000 0.803 334 D HN 0.818 nan 8.370 nan 0.000 0.386 335 G N 1.932 110.726 108.800 -0.010 0.000 2.353 335 G HA2 0.217 4.177 3.960 0.001 0.000 0.239 335 G HA3 0.217 4.177 3.960 0.001 0.000 0.239 335 G C 1.394 176.280 174.900 -0.024 0.000 1.295 335 G CA -0.306 44.786 45.100 -0.013 0.000 0.884 335 G HN 0.451 nan 8.290 nan 0.000 0.537 336 V N 2.959 122.849 119.914 -0.039 0.000 3.444 336 V HA 0.031 4.151 4.120 0.001 0.000 0.271 336 V C 2.067 178.145 176.094 -0.027 0.000 1.188 336 V CA 0.913 63.186 62.300 -0.046 0.000 1.168 336 V CB -1.026 30.749 31.823 -0.080 0.000 0.810 336 V HN 0.816 nan 8.190 nan 0.000 0.500 337 G N 0.108 108.898 108.800 -0.017 0.000 2.491 337 G HA2 0.181 4.142 3.960 0.001 0.000 0.242 337 G HA3 0.181 4.142 3.960 0.001 0.000 0.242 337 G C -0.127 174.767 174.900 -0.011 0.000 1.266 337 G CA -0.170 44.924 45.100 -0.010 0.000 0.844 337 G HN 0.182 nan 8.290 nan 0.000 0.571 338 E N 0.586 120.780 120.200 -0.009 0.000 2.313 338 E HA 0.096 4.446 4.350 0.001 0.000 0.276 338 E C 1.079 177.675 176.600 -0.007 0.000 1.031 338 E CA -0.526 55.869 56.400 -0.009 0.000 0.857 338 E CB 1.081 30.777 29.700 -0.007 0.000 1.040 338 E HN 0.480 nan 8.360 nan 0.000 0.408 339 E N 2.729 122.924 120.200 -0.008 0.000 2.204 339 E HA -0.153 4.198 4.350 0.001 0.000 0.195 339 E C 1.556 178.152 176.600 -0.006 0.000 0.990 339 E CA 1.057 57.453 56.400 -0.007 0.000 0.821 339 E CB -0.190 29.506 29.700 -0.007 0.000 0.750 339 E HN 0.564 nan 8.360 nan 0.000 0.477 340 A N 1.348 124.165 122.820 -0.006 0.000 1.948 340 A HA -0.148 4.173 4.320 0.001 0.000 0.220 340 A C 2.336 179.917 177.584 -0.006 0.000 1.177 340 A CA 2.224 54.258 52.037 -0.006 0.000 0.636 340 A CB -0.364 18.633 19.000 -0.005 0.000 0.815 340 A HN 0.286 nan 8.150 nan 0.000 0.449 341 A N -0.802 122.015 122.820 -0.006 0.000 1.956 341 A HA 0.252 4.573 4.320 0.001 0.000 0.212 341 A C 2.027 179.607 177.584 -0.007 0.000 1.188 341 A CA 0.869 52.903 52.037 -0.006 0.000 0.675 341 A CB -0.348 18.649 19.000 -0.005 0.000 0.845 341 A HN 0.418 nan 8.150 nan 0.000 0.455 342 I N -0.101 120.465 120.570 -0.007 0.000 2.252 342 I HA -0.224 3.946 4.170 0.001 0.000 0.245 342 I C 2.312 178.424 176.117 -0.008 0.000 1.102 342 I CA 0.990 62.285 61.300 -0.007 0.000 1.385 342 I CB -0.206 37.790 38.000 -0.006 0.000 1.064 342 I HN 0.245 nan 8.210 nan 0.000 0.414 343 Q N 0.655 120.451 119.800 -0.007 0.000 2.297 343 Q HA -0.033 4.308 4.340 0.001 0.000 0.204 343 Q C 2.287 178.283 176.000 -0.008 0.000 0.962 343 Q CA 1.338 57.136 55.803 -0.008 0.000 0.879 343 Q CB -0.722 28.012 28.738 -0.007 0.000 0.947 343 Q HN 0.584 nan 8.270 nan 0.000 0.462 344 G N 1.067 109.863 108.800 -0.008 0.000 2.408 344 G HA2 -0.294 3.667 3.960 0.001 0.000 0.217 344 G HA3 -0.294 3.667 3.960 0.001 0.000 0.217 344 G C 1.688 176.582 174.900 -0.010 0.000 1.150 344 G CA 0.775 45.870 45.100 -0.008 0.000 0.776 344 G HN 0.265 nan 8.290 nan 0.000 0.542 345 R N 0.397 120.891 120.500 -0.011 0.000 2.092 345 R HA 0.029 4.370 4.340 0.001 0.000 0.231 345 R C 2.534 178.825 176.300 -0.015 0.000 1.119 345 R CA 1.296 57.388 56.100 -0.013 0.000 0.970 345 R CB -0.928 29.363 30.300 -0.014 0.000 0.864 345 R HN 0.198 nan 8.270 nan 0.000 0.440 346 V N 0.921 120.827 119.914 -0.014 0.000 2.332 346 V HA -0.246 3.875 4.120 0.001 0.000 0.248 346 V C 2.349 178.435 176.094 -0.014 0.000 1.055 346 V CA 1.981 64.272 62.300 -0.014 0.000 1.038 346 V CB -0.993 30.823 31.823 -0.012 0.000 0.651 346 V HN 0.538 nan 8.190 nan 0.000 0.450 347 A N -0.878 121.935 122.820 -0.012 0.000 1.902 347 A HA -0.280 4.041 4.320 0.001 0.000 0.217 347 A C 2.177 179.753 177.584 -0.012 0.000 1.181 347 A CA 1.854 53.885 52.037 -0.011 0.000 0.623 347 A CB -0.474 18.521 19.000 -0.009 0.000 0.818 347 A HN 0.622 nan 8.150 nan 0.000 0.443 348 Q N -0.551 119.241 119.800 -0.013 0.000 2.096 348 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 348 Q C 1.991 177.980 176.000 -0.018 0.000 0.982 348 Q CA 1.671 57.466 55.803 -0.014 0.000 0.850 348 Q CB -0.358 28.371 28.738 -0.015 0.000 0.901 348 Q HN 0.762 nan 8.270 nan 0.000 0.422 349 I N 0.110 120.668 120.570 -0.020 0.000 2.353 349 I HA -0.235 3.936 4.170 0.001 0.000 0.248 349 I C 2.269 178.372 176.117 -0.023 0.000 1.119 349 I CA 0.950 62.235 61.300 -0.025 0.000 1.417 349 I CB -0.169 37.814 38.000 -0.028 0.000 1.078 349 I HN 0.114 nan 8.210 nan 0.000 0.421 350 R N 0.233 120.722 120.500 -0.019 0.000 2.115 350 R HA -0.177 4.163 4.340 0.001 0.000 0.230 350 R C 2.288 178.580 176.300 -0.014 0.000 1.111 350 R CA 1.023 57.114 56.100 -0.016 0.000 0.976 350 R CB -0.298 29.994 30.300 -0.013 0.000 0.870 350 R HN 0.447 nan 8.270 nan 0.000 0.445 351 Q N 1.079 120.871 119.800 -0.013 0.000 2.084 351 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 351 Q C 1.787 177.779 176.000 -0.013 0.000 0.978 351 Q CA 1.519 57.315 55.803 -0.011 0.000 0.844 351 Q CB 0.119 28.851 28.738 -0.010 0.000 0.898 351 Q HN 0.416 nan 8.270 nan 0.000 0.426 352 Q N 0.062 119.852 119.800 -0.016 0.000 2.368 352 Q HA -0.149 4.192 4.340 0.001 0.000 0.210 352 Q C 1.909 177.898 176.000 -0.017 0.000 0.982 352 Q CA 1.030 56.822 55.803 -0.018 0.000 0.884 352 Q CB -0.100 28.623 28.738 -0.024 0.000 0.933 352 Q HN 0.492 nan 8.270 nan 0.000 0.460 353 I N 1.055 121.615 120.570 -0.017 0.000 2.286 353 I HA -0.281 3.890 4.170 0.001 0.000 0.248 353 I C 2.402 178.514 176.117 -0.008 0.000 1.115 353 I CA 1.402 62.693 61.300 -0.014 0.000 1.392 353 I CB -0.491 37.501 38.000 -0.013 0.000 1.065 353 I HN 0.346 nan 8.210 nan 0.000 0.418 354 E N 1.196 121.391 120.200 -0.007 0.000 2.478 354 E HA -0.236 4.114 4.350 0.001 0.000 0.198 354 E C 1.674 178.272 176.600 -0.004 0.000 1.046 354 E CA 0.785 57.182 56.400 -0.005 0.000 0.870 354 E CB -0.065 29.633 29.700 -0.004 0.000 0.818 354 E HN 0.377 nan 8.360 nan 0.000 0.527 355 E N 0.257 120.454 120.200 -0.005 0.000 2.427 355 E HA 0.042 4.392 4.350 0.001 0.000 0.196 355 E C 1.197 177.797 176.600 -0.001 0.000 1.028 355 E CA 1.170 57.568 56.400 -0.004 0.000 0.864 355 E CB 0.030 29.726 29.700 -0.007 0.000 0.813 355 E HN 0.424 nan 8.360 nan 0.000 0.514 356 A N -1.130 121.689 122.820 -0.001 0.000 4.320 356 A HA -0.364 3.956 4.320 0.001 0.000 0.253 356 A C 1.867 179.456 177.584 0.009 0.000 0.699 356 A CA 2.280 54.319 52.037 0.004 0.000 1.188 356 A CB -2.779 16.224 19.000 0.004 0.000 1.126 356 A HN 0.473 nan 8.150 nan 0.000 0.699 357 T N -1.893 112.667 114.554 0.010 0.000 3.155 357 T HA 0.382 4.732 4.350 0.001 0.000 0.264 357 T C 0.612 175.327 174.700 0.025 0.000 1.160 357 T CA 1.567 63.676 62.100 0.015 0.000 1.075 357 T CB -0.313 68.562 68.868 0.013 0.000 0.921 357 T HN 2.070 nan 8.240 nan 0.000 0.533 358 S N -0.534 115.184 115.700 0.031 0.000 2.548 358 S HA 0.323 4.793 4.470 0.001 0.000 0.278 358 S C -0.688 173.946 174.600 0.058 0.000 1.150 358 S CA -0.731 57.501 58.200 0.053 0.000 0.907 358 S CB 1.528 64.773 63.200 0.074 0.000 1.108 358 S HN 0.073 nan 8.310 nan 0.000 0.459 359 D N 1.947 122.392 120.400 0.074 0.000 2.149 359 D HA -0.004 4.637 4.640 0.001 0.000 0.201 359 D C 1.270 177.639 176.300 0.116 0.000 0.972 359 D CA 1.115 55.161 54.000 0.075 0.000 0.835 359 D CB -0.094 40.748 40.800 0.070 0.000 0.966 359 D HN 0.623 nan 8.370 nan 0.000 0.476 360 Y N 1.595 121.897 120.300 0.003 0.000 2.242 360 Y HA -0.131 4.420 4.550 0.001 0.000 0.291 360 Y C 1.209 177.107 175.900 -0.003 0.000 1.137 360 Y CA 1.343 59.445 58.100 0.003 0.000 1.181 360 Y CB -0.177 38.288 38.460 0.009 0.000 0.989 360 Y HN -0.134 nan 8.280 nan 0.000 0.527 361 D N -0.616 119.780 120.400 -0.007 0.000 2.117 361 D HA -0.117 4.523 4.640 0.001 0.000 0.198 361 D C 2.191 178.431 176.300 -0.099 0.000 0.982 361 D CA 1.310 55.252 54.000 -0.097 0.000 0.828 361 D CB -0.146 40.642 40.800 -0.020 0.000 0.967 361 D HN 0.245 nan 8.370 nan 0.000 0.464 362 R N 0.380 120.853 120.500 -0.046 0.000 2.096 362 R HA -0.128 4.213 4.340 0.001 0.000 0.235 362 R C 2.131 178.396 176.300 -0.060 0.000 1.127 362 R CA 1.058 57.134 56.100 -0.040 0.000 0.968 362 R CB -0.112 30.181 30.300 -0.010 0.000 0.861 362 R HN 0.305 nan 8.270 nan 0.000 0.440 363 E N 0.696 120.852 120.200 -0.073 0.000 2.077 363 E HA -0.209 4.141 4.350 0.001 0.000 0.193 363 E C 1.485 177.995 176.600 -0.151 0.000 0.989 363 E CA 1.265 57.612 56.400 -0.089 0.000 0.800 363 E CB 0.222 29.889 29.700 -0.055 0.000 0.746 363 E HN -0.028 nan 8.360 nan 0.000 0.452 364 K N 0.288 120.536 120.400 -0.252 0.000 2.283 364 K HA -0.048 4.273 4.320 0.001 0.000 0.202 364 K C 1.870 178.383 176.600 -0.145 0.000 1.048 364 K CA 0.595 56.738 56.287 -0.240 0.000 0.948 364 K CB -0.115 32.178 32.500 -0.345 0.000 0.742 364 K HN 0.198 nan 8.250 nan 0.000 0.458 365 L N -0.089 121.067 121.223 -0.111 0.000 2.056 365 L HA -0.188 4.152 4.340 0.001 0.000 0.207 365 L C 2.435 179.269 176.870 -0.059 0.000 1.078 365 L CA 1.104 55.899 54.840 -0.074 0.000 0.749 365 L CB -0.399 41.626 42.059 -0.057 0.000 0.901 365 L HN 0.172 nan 8.230 nan 0.000 0.433 366 Q N 0.837 120.604 119.800 -0.055 0.000 2.096 366 Q HA -0.237 4.104 4.340 0.001 0.000 0.204 366 Q C 1.917 177.893 176.000 -0.040 0.000 0.982 366 Q CA 1.797 57.577 55.803 -0.040 0.000 0.850 366 Q CB -0.089 28.630 28.738 -0.031 0.000 0.901 366 Q HN 0.451 nan 8.270 nan 0.000 0.422 367 E N -0.310 119.856 120.200 -0.056 0.000 2.058 367 E HA -0.217 4.134 4.350 0.001 0.000 0.194 367 E C 2.196 178.772 176.600 -0.040 0.000 0.997 367 E CA 1.263 57.634 56.400 -0.048 0.000 0.801 367 E CB -0.135 29.524 29.700 -0.068 0.000 0.746 367 E HN 0.329 nan 8.360 nan 0.000 0.450 368 R N 0.386 120.854 120.500 -0.053 0.000 2.073 368 R HA -0.127 4.214 4.340 0.001 0.000 0.234 368 R C 2.492 178.774 176.300 -0.030 0.000 1.134 368 R CA 1.229 57.302 56.100 -0.044 0.000 0.952 368 R CB -0.463 29.803 30.300 -0.057 0.000 0.850 368 R HN 0.046 nan 8.270 nan 0.000 0.433 369 V N 1.023 120.919 119.914 -0.029 0.000 2.287 369 V HA -0.286 3.835 4.120 0.001 0.000 0.248 369 V C 2.427 178.513 176.094 -0.014 0.000 1.053 369 V CA 2.084 64.371 62.300 -0.021 0.000 1.027 369 V CB -0.738 31.072 31.823 -0.021 0.000 0.646 369 V HN 0.454 nan 8.190 nan 0.000 0.447 370 A N -0.549 122.263 122.820 -0.014 0.000 1.873 370 A HA -0.172 4.149 4.320 0.001 0.000 0.215 370 A C 2.215 179.798 177.584 -0.001 0.000 1.186 370 A CA 1.519 53.552 52.037 -0.007 0.000 0.616 370 A CB -0.406 18.590 19.000 -0.007 0.000 0.823 370 A HN 0.390 nan 8.150 nan 0.000 0.442 371 K N -0.867 119.534 120.400 0.002 0.000 2.362 371 K HA 0.025 4.346 4.320 0.001 0.000 0.200 371 K C 1.391 178.001 176.600 0.017 0.000 1.046 371 K CA 0.642 56.939 56.287 0.017 0.000 0.952 371 K CB -0.307 32.210 32.500 0.028 0.000 0.753 371 K HN 0.433 nan 8.250 nan 0.000 0.466 372 L N -0.725 120.501 121.223 0.005 0.000 2.554 372 L HA 0.211 4.551 4.340 0.001 0.000 0.225 372 L C 1.277 178.147 176.870 0.000 0.000 1.104 372 L CA 0.594 55.436 54.840 0.003 0.000 0.866 372 L CB 0.267 42.323 42.059 -0.006 0.000 1.047 372 L HN 0.013 nan 8.230 nan 0.000 0.468 373 A N -1.964 120.855 122.820 -0.001 0.000 2.508 373 A HA 0.464 4.785 4.320 0.001 0.000 0.250 373 A C 1.857 179.440 177.584 -0.002 0.000 1.208 373 A CA 0.382 52.417 52.037 -0.003 0.000 0.960 373 A CB -0.332 18.665 19.000 -0.005 0.000 1.099 373 A HN 0.303 nan 8.150 nan 0.000 0.542 374 G N -0.087 108.713 108.800 0.000 0.000 2.464 374 G HA2 0.415 4.376 3.960 0.001 0.000 0.217 374 G HA3 0.415 4.376 3.960 0.001 0.000 0.217 374 G C 1.057 175.955 174.900 -0.002 0.000 1.138 374 G CA 0.657 45.756 45.100 -0.001 0.000 0.793 374 G HN 1.692 nan 8.290 nan 0.000 0.539 375 G N -1.704 107.095 108.800 -0.002 0.000 2.814 375 G HA2 0.082 4.043 3.960 0.001 0.000 0.677 375 G HA3 0.082 4.043 3.960 0.001 0.000 0.677 375 G C -0.771 174.125 174.900 -0.007 0.000 1.429 375 G CA -0.415 44.682 45.100 -0.005 0.000 0.868 375 G HN 0.980 nan 8.290 nan 0.000 0.553 376 V N 0.384 120.291 119.914 -0.011 0.000 2.638 376 V HA 0.816 4.937 4.120 0.001 0.000 0.306 376 V C 0.697 176.780 176.094 -0.017 0.000 1.052 376 V CA -0.153 62.137 62.300 -0.015 0.000 0.885 376 V CB 1.460 33.273 31.823 -0.017 0.000 0.999 376 V HN 2.165 nan 8.190 nan 0.000 0.424 377 A N 3.934 126.742 122.820 -0.021 0.000 2.312 377 A HA 0.931 5.252 4.320 0.001 0.000 0.326 377 A C -0.411 177.158 177.584 -0.026 0.000 1.172 377 A CA -0.537 51.487 52.037 -0.022 0.000 0.821 377 A CB 1.526 20.513 19.000 -0.022 0.000 1.166 377 A HN 1.690 nan 8.150 nan 0.000 0.493 378 V N 0.178 120.077 119.914 -0.024 0.000 2.686 378 V HA 0.714 4.834 4.120 0.001 0.000 0.306 378 V C -0.818 175.262 176.094 -0.023 0.000 1.065 378 V CA -0.572 61.712 62.300 -0.025 0.000 0.894 378 V CB 1.379 33.188 31.823 -0.023 0.000 1.004 378 V HN 0.654 nan 8.190 nan 0.000 0.424 379 I N 3.915 124.470 120.570 -0.026 0.000 2.412 379 I HA 0.410 4.580 4.170 0.001 0.000 0.279 379 I C 0.129 176.235 176.117 -0.019 0.000 1.063 379 I CA -0.486 60.800 61.300 -0.023 0.000 1.193 379 I CB 1.169 39.153 38.000 -0.028 0.000 1.370 379 I HN 0.629 nan 8.210 nan 0.000 0.479 380 K N 5.020 125.410 120.400 -0.015 0.000 2.278 380 K HA 0.262 4.583 4.320 0.001 0.000 0.289 380 K C -0.377 176.217 176.600 -0.011 0.000 1.080 380 K CA -0.286 55.994 56.287 -0.012 0.000 0.934 380 K CB 0.871 33.364 32.500 -0.011 0.000 1.093 380 K HN 0.326 nan 8.250 nan 0.000 0.459 381 V N 3.400 123.308 119.914 -0.009 0.000 2.415 381 V HA 0.113 4.234 4.120 0.001 0.000 0.267 381 V C 0.926 177.017 176.094 -0.006 0.000 1.042 381 V CA -0.345 61.950 62.300 -0.008 0.000 1.000 381 V CB 0.757 32.576 31.823 -0.007 0.000 1.015 381 V HN 0.855 nan 8.190 nan 0.000 0.478 382 G N 3.608 112.404 108.800 -0.006 0.000 2.425 382 G HA2 0.778 4.738 3.960 0.001 0.000 0.302 382 G HA3 0.778 4.738 3.960 0.001 0.000 0.302 382 G C -0.419 174.479 174.900 -0.004 0.000 1.159 382 G CA 0.209 45.306 45.100 -0.005 0.000 0.865 382 G HN 1.205 nan 8.290 nan 0.000 0.515 383 A N -0.280 122.538 122.820 -0.003 0.000 2.566 383 A HA 0.765 5.086 4.320 0.001 0.000 0.290 383 A C 0.849 178.432 177.584 -0.001 0.000 1.071 383 A CA 0.375 52.411 52.037 -0.002 0.000 0.658 383 A CB 0.420 19.419 19.000 -0.001 0.000 1.285 383 A HN 1.816 nan 8.150 nan 0.000 0.427 384 A N -0.405 122.414 122.820 -0.001 0.000 1.898 384 A HA 0.407 4.727 4.320 0.001 0.000 0.216 384 A C 1.266 178.850 177.584 0.000 0.000 1.181 384 A CA 2.609 54.646 52.037 -0.001 0.000 0.620 384 A CB -0.394 18.606 19.000 -0.000 0.000 0.819 384 A HN 1.979 nan 8.150 nan 0.000 0.442 385 T N -3.315 111.240 114.554 0.001 0.000 2.843 385 T HA 0.325 4.676 4.350 0.001 0.000 0.302 385 T C 0.565 175.266 174.700 0.003 0.000 1.232 385 T CA -0.012 62.089 62.100 0.002 0.000 1.009 385 T CB 1.454 70.323 68.868 0.003 0.000 1.254 385 T HN 0.196 nan 8.240 nan 0.000 0.504 386 E N 1.146 121.349 120.200 0.004 0.000 2.085 386 E HA -0.104 4.246 4.350 0.001 0.000 0.194 386 E C 1.926 178.529 176.600 0.006 0.000 0.994 386 E CA 1.847 58.249 56.400 0.004 0.000 0.801 386 E CB -0.310 29.393 29.700 0.005 0.000 0.743 386 E HN 0.504 nan 8.360 nan 0.000 0.453 387 V N 1.383 121.301 119.914 0.006 0.000 2.392 387 V HA -0.239 3.881 4.120 0.001 0.000 0.249 387 V C 2.548 178.646 176.094 0.007 0.000 1.059 387 V CA 2.299 64.603 62.300 0.008 0.000 1.051 387 V CB -0.582 31.245 31.823 0.008 0.000 0.658 387 V HN 0.340 nan 8.190 nan 0.000 0.455 388 E N -0.531 119.672 120.200 0.005 0.000 2.076 388 E HA -0.173 4.178 4.350 0.001 0.000 0.190 388 E C 2.277 178.879 176.600 0.004 0.000 0.979 388 E CA 0.872 57.274 56.400 0.004 0.000 0.807 388 E CB -0.110 29.591 29.700 0.003 0.000 0.761 388 E HN 0.505 nan 8.360 nan 0.000 0.454 389 M N 0.838 120.440 119.600 0.003 0.000 2.108 389 M HA -0.223 4.258 4.480 0.001 0.000 0.261 389 M C 1.864 178.166 176.300 0.004 0.000 1.066 389 M CA 1.634 56.936 55.300 0.003 0.000 1.107 389 M CB -0.097 32.504 32.600 0.002 0.000 1.356 389 M HN -0.009 nan 8.290 nan 0.000 0.406 390 K N -0.294 120.109 120.400 0.006 0.000 2.057 390 K HA -0.200 4.121 4.320 0.001 0.000 0.207 390 K C 2.071 178.676 176.600 0.009 0.000 1.049 390 K CA 1.507 57.799 56.287 0.008 0.000 0.931 390 K CB -0.275 32.230 32.500 0.009 0.000 0.714 390 K HN 0.402 nan 8.250 nan 0.000 0.440 391 E N 1.506 121.711 120.200 0.008 0.000 2.028 391 E HA -0.197 4.154 4.350 0.001 0.000 0.190 391 E C 2.004 178.609 176.600 0.008 0.000 0.984 391 E CA 1.270 57.675 56.400 0.009 0.000 0.800 391 E CB 0.088 29.793 29.700 0.008 0.000 0.758 391 E HN 0.135 nan 8.360 nan 0.000 0.448 392 K N 0.885 121.288 120.400 0.005 0.000 2.063 392 K HA -0.189 4.132 4.320 0.001 0.000 0.208 392 K C 2.354 178.956 176.600 0.003 0.000 1.048 392 K CA 1.541 57.830 56.287 0.003 0.000 0.928 392 K CB -0.072 32.428 32.500 0.000 0.000 0.713 392 K HN -0.072 nan 8.250 nan 0.000 0.442 393 K N 0.011 120.413 120.400 0.004 0.000 2.002 393 K HA -0.129 4.192 4.320 0.001 0.000 0.209 393 K C 2.013 178.620 176.600 0.012 0.000 1.048 393 K CA 1.280 57.570 56.287 0.005 0.000 0.930 393 K CB -0.207 32.296 32.500 0.005 0.000 0.714 393 K HN 0.223 nan 8.250 nan 0.000 0.438 394 A N 1.423 124.254 122.820 0.017 0.000 1.978 394 A HA -0.212 4.109 4.320 0.001 0.000 0.220 394 A C 2.114 179.715 177.584 0.029 0.000 1.170 394 A CA 1.684 53.737 52.037 0.027 0.000 0.636 394 A CB -0.512 18.501 19.000 0.022 0.000 0.810 394 A HN 0.374 nan 8.150 nan 0.000 0.448 395 R N -0.664 119.847 120.500 0.018 0.000 2.062 395 R HA -0.040 4.301 4.340 0.001 0.000 0.229 395 R C 1.946 178.252 176.300 0.011 0.000 1.128 395 R CA 1.499 57.608 56.100 0.015 0.000 0.960 395 R CB -0.327 29.978 30.300 0.009 0.000 0.855 395 R HN 0.290 nan 8.270 nan 0.000 0.432 396 V N 1.410 121.325 119.914 0.001 0.000 2.343 396 V HA -0.233 3.888 4.120 0.001 0.000 0.247 396 V C 1.965 178.044 176.094 -0.026 0.000 1.051 396 V CA 2.044 64.336 62.300 -0.013 0.000 1.036 396 V CB -0.439 31.373 31.823 -0.018 0.000 0.654 396 V HN 0.422 nan 8.190 nan 0.000 0.451 397 E N -0.080 120.114 120.200 -0.011 0.000 2.051 397 E HA -0.256 4.094 4.350 0.001 0.000 0.192 397 E C 1.990 178.626 176.600 0.059 0.000 0.991 397 E CA 1.642 58.034 56.400 -0.013 0.000 0.799 397 E CB -0.232 29.505 29.700 0.062 0.000 0.748 397 E HN 0.613 nan 8.360 nan 0.000 0.449 398 D N 0.180 120.638 120.400 0.097 0.000 2.116 398 D HA -0.172 4.468 4.640 0.001 0.000 0.193 398 D C 1.835 178.180 176.300 0.075 0.000 0.998 398 D CA 1.646 55.713 54.000 0.112 0.000 0.836 398 D CB -0.085 40.754 40.800 0.064 0.000 0.951 398 D HN 0.205 nan 8.370 nan 0.000 0.449 399 A N 0.024 122.861 122.820 0.027 0.000 1.969 399 A HA -0.081 4.239 4.320 0.001 0.000 0.218 399 A C 2.146 179.722 177.584 -0.014 0.000 1.169 399 A CA 0.753 52.795 52.037 0.009 0.000 0.635 399 A CB -0.670 18.330 19.000 -0.001 0.000 0.810 399 A HN 0.335 nan 8.150 nan 0.000 0.445 400 L N -1.363 119.821 121.223 -0.064 0.000 2.005 400 L HA -0.167 4.174 4.340 0.001 0.000 0.207 400 L C 2.661 179.457 176.870 -0.123 0.000 1.072 400 L CA 1.568 56.329 54.840 -0.131 0.000 0.744 400 L CB -0.503 41.421 42.059 -0.225 0.000 0.895 400 L HN 0.465 nan 8.230 nan 0.000 0.433 401 H N -0.164 118.904 119.070 -0.003 0.000 2.352 401 H HA -0.134 4.423 4.556 0.001 0.000 0.299 401 H C 2.211 177.539 175.328 0.001 0.000 1.097 401 H CA 1.474 57.521 56.048 -0.002 0.000 1.311 401 H CB -0.350 29.410 29.762 -0.002 0.000 1.377 401 H HN 0.524 nan 8.280 nan 0.000 0.504 402 A N 0.451 123.342 122.820 0.117 0.000 1.902 402 A HA -0.167 4.154 4.320 0.001 0.000 0.217 402 A C 2.655 180.264 177.584 0.042 0.000 1.181 402 A CA 2.133 54.211 52.037 0.067 0.000 0.623 402 A CB -0.863 18.168 19.000 0.051 0.000 0.818 402 A HN 0.416 nan 8.150 nan 0.000 0.443 403 T N -0.389 114.180 114.554 0.024 0.000 2.674 403 T HA -0.129 4.221 4.350 0.001 0.000 0.265 403 T C 2.056 176.764 174.700 0.014 0.000 1.039 403 T CA 1.477 63.583 62.100 0.010 0.000 1.150 403 T CB -0.238 68.626 68.868 -0.006 0.000 0.864 403 T HN 0.470 nan 8.240 nan 0.000 0.427 404 R N 0.700 121.209 120.500 0.014 0.000 2.148 404 R HA 0.098 4.438 4.340 0.001 0.000 0.227 404 R C 2.702 179.024 176.300 0.036 0.000 1.103 404 R CA 0.942 57.055 56.100 0.020 0.000 0.983 404 R CB -0.345 29.964 30.300 0.015 0.000 0.874 404 R HN 0.361 nan 8.270 nan 0.000 0.451 405 A N 1.238 124.087 122.820 0.049 0.000 1.873 405 A HA -0.073 4.248 4.320 0.001 0.000 0.215 405 A C 2.368 179.973 177.584 0.034 0.000 1.186 405 A CA 1.515 53.579 52.037 0.045 0.000 0.616 405 A CB -0.569 18.463 19.000 0.053 0.000 0.823 405 A HN 0.352 nan 8.150 nan 0.000 0.442 406 A N -0.483 122.355 122.820 0.031 0.000 1.940 406 A HA -0.050 4.270 4.320 0.001 0.000 0.219 406 A C 2.140 179.735 177.584 0.019 0.000 1.176 406 A CA 1.771 53.822 52.037 0.024 0.000 0.631 406 A CB -1.016 17.996 19.000 0.021 0.000 0.814 406 A HN 0.441 nan 8.150 nan 0.000 0.446 407 V N 0.609 120.533 119.914 0.018 0.000 2.660 407 V HA -0.250 3.871 4.120 0.001 0.000 0.257 407 V C 1.889 177.994 176.094 0.017 0.000 1.088 407 V CA 2.064 64.373 62.300 0.015 0.000 1.106 407 V CB -0.873 30.957 31.823 0.012 0.000 0.686 407 V HN 0.653 nan 8.190 nan 0.000 0.481 408 E N -0.738 119.475 120.200 0.021 0.000 2.512 408 E HA -0.060 4.290 4.350 0.001 0.000 0.195 408 E C 1.479 178.091 176.600 0.019 0.000 1.083 408 E CA 0.382 56.795 56.400 0.021 0.000 0.873 408 E CB 0.206 29.922 29.700 0.025 0.000 0.897 408 E HN 0.669 nan 8.360 nan 0.000 0.514 409 E N -1.212 118.998 120.200 0.017 0.000 2.560 409 E HA 0.119 4.470 4.350 0.001 0.000 0.190 409 E C 0.402 177.010 176.600 0.013 0.000 0.956 409 E CA 0.410 56.819 56.400 0.014 0.000 1.515 409 E CB 0.866 30.575 29.700 0.015 0.000 1.930 409 E HN 0.213 nan 8.360 nan 0.000 0.939 410 G N 0.367 109.175 108.800 0.013 0.000 2.512 410 G HA2 -0.125 3.835 3.960 0.001 0.000 0.210 410 G HA3 -0.125 3.835 3.960 0.001 0.000 0.210 410 G C -0.587 174.320 174.900 0.012 0.000 1.295 410 G CA -0.420 44.687 45.100 0.012 0.000 0.934 410 G HN 0.872 nan 8.290 nan 0.000 0.554 411 V N -2.418 117.502 119.914 0.011 0.000 3.040 411 V HA 0.990 5.111 4.120 0.001 0.000 0.312 411 V C 0.574 176.675 176.094 0.012 0.000 1.115 411 V CA 0.215 62.522 62.300 0.012 0.000 0.998 411 V CB 1.180 33.009 31.823 0.010 0.000 1.042 411 V HN 2.475 nan 8.190 nan 0.000 0.433 412 V N -0.733 119.189 119.914 0.014 0.000 3.119 412 V HA 1.041 5.161 4.120 0.001 0.000 0.311 412 V C 0.434 176.539 176.094 0.018 0.000 1.259 412 V CA -0.686 61.623 62.300 0.016 0.000 1.067 412 V CB 1.224 33.057 31.823 0.016 0.000 1.123 412 V HN 2.011 nan 8.190 nan 0.000 0.463 413 A N 0.172 123.005 122.820 0.023 0.000 2.440 413 A HA 0.752 5.072 4.320 0.001 0.000 0.251 413 A C 0.641 178.242 177.584 0.028 0.000 1.089 413 A CA 0.439 52.492 52.037 0.027 0.000 0.779 413 A CB -0.192 18.829 19.000 0.035 0.000 1.022 413 A HN 1.891 nan 8.150 nan 0.000 0.492 414 G N 0.041 108.856 108.800 0.025 0.000 2.525 414 G HA2 0.521 4.482 3.960 0.001 0.000 0.287 414 G HA3 0.521 4.482 3.960 0.001 0.000 0.287 414 G C 1.075 175.993 174.900 0.030 0.000 1.350 414 G CA -0.060 45.053 45.100 0.023 0.000 1.039 414 G HN 2.196 nan 8.290 nan 0.000 0.513 415 G N -2.109 106.707 108.800 0.027 0.000 2.187 415 G HA2 0.189 4.149 3.960 0.001 0.000 0.261 415 G HA3 0.189 4.149 3.960 0.001 0.000 0.261 415 G C 1.493 176.416 174.900 0.038 0.000 1.000 415 G CA 1.281 46.401 45.100 0.033 0.000 0.718 415 G HN 2.539 nan 8.290 nan 0.000 0.519 416 G N -2.564 106.257 108.800 0.034 0.000 2.179 416 G HA2 -0.158 3.803 3.960 0.001 0.000 0.260 416 G HA3 -0.158 3.803 3.960 0.001 0.000 0.260 416 G C 1.427 176.351 174.900 0.040 0.000 0.977 416 G CA 1.406 46.526 45.100 0.035 0.000 0.641 416 G HN 1.659 nan 8.290 nan 0.000 0.533 417 V N 0.635 120.578 119.914 0.048 0.000 2.515 417 V HA 0.127 4.248 4.120 0.001 0.000 0.250 417 V C 3.029 179.152 176.094 0.048 0.000 1.058 417 V CA 2.893 65.228 62.300 0.059 0.000 1.064 417 V CB -0.542 31.328 31.823 0.078 0.000 0.675 417 V HN 1.142 nan 8.190 nan 0.000 0.461 418 A N -0.236 122.607 122.820 0.038 0.000 1.908 418 A HA -0.224 4.097 4.320 0.001 0.000 0.218 418 A C 2.135 179.734 177.584 0.025 0.000 1.181 418 A CA 2.235 54.290 52.037 0.030 0.000 0.627 418 A CB -0.739 18.276 19.000 0.024 0.000 0.818 418 A HN 0.545 nan 8.150 nan 0.000 0.445 419 L N 0.060 121.298 121.223 0.024 0.000 2.012 419 L HA -0.149 4.191 4.340 0.001 0.000 0.210 419 L C 2.274 179.157 176.870 0.021 0.000 1.073 419 L CA 1.893 56.744 54.840 0.019 0.000 0.748 419 L CB -0.451 41.620 42.059 0.019 0.000 0.891 419 L HN 0.456 nan 8.230 nan 0.000 0.431 420 I N -0.905 119.682 120.570 0.029 0.000 2.264 420 I HA -0.302 3.869 4.170 0.001 0.000 0.248 420 I C 2.489 178.622 176.117 0.027 0.000 1.111 420 I CA 0.784 62.102 61.300 0.030 0.000 1.382 420 I CB -0.427 37.599 38.000 0.043 0.000 1.060 420 I HN 0.276 nan 8.210 nan 0.000 0.418 421 R N 0.614 121.131 120.500 0.029 0.000 2.066 421 R HA -0.095 4.245 4.340 0.001 0.000 0.232 421 R C 2.314 178.624 176.300 0.016 0.000 1.131 421 R CA 1.736 57.850 56.100 0.024 0.000 0.955 421 R CB -1.449 28.868 30.300 0.028 0.000 0.851 421 R HN 0.451 nan 8.270 nan 0.000 0.432 422 V N -1.240 118.683 119.914 0.014 0.000 2.970 422 V HA 0.079 4.200 4.120 0.001 0.000 0.260 422 V C 2.230 178.327 176.094 0.006 0.000 1.100 422 V CA 1.357 63.662 62.300 0.008 0.000 1.122 422 V CB -0.965 30.862 31.823 0.006 0.000 0.721 422 V HN 0.149 nan 8.190 nan 0.000 0.483 423 A N 2.057 124.882 122.820 0.008 0.000 1.940 423 A HA -0.186 4.135 4.320 0.001 0.000 0.219 423 A C 2.607 180.193 177.584 0.004 0.000 1.176 423 A CA 2.484 54.524 52.037 0.006 0.000 0.631 423 A CB -1.074 17.931 19.000 0.009 0.000 0.814 423 A HN 0.997 nan 8.150 nan 0.000 0.446 424 S N 0.174 115.877 115.700 0.004 0.000 2.419 424 S HA -0.191 4.280 4.470 0.001 0.000 0.233 424 S C 1.640 176.240 174.600 -0.000 0.000 1.016 424 S CA 1.498 59.698 58.200 0.001 0.000 0.974 424 S CB -0.448 62.752 63.200 0.001 0.000 0.786 424 S HN 0.647 nan 8.310 nan 0.000 0.492 425 K N 0.902 121.302 120.400 0.001 0.000 2.362 425 K HA 0.155 4.476 4.320 0.001 0.000 0.200 425 K C 1.318 177.918 176.600 -0.001 0.000 1.046 425 K CA 0.889 57.175 56.287 -0.000 0.000 0.952 425 K CB -0.337 32.163 32.500 0.000 0.000 0.753 425 K HN 0.463 nan 8.250 nan 0.000 0.466 426 L N -0.445 120.777 121.223 -0.001 0.000 2.640 426 L HA 0.214 4.555 4.340 0.001 0.000 0.230 426 L C 2.111 178.980 176.870 -0.002 0.000 1.123 426 L CA -0.231 54.608 54.840 -0.002 0.000 0.900 426 L CB -0.153 41.904 42.059 -0.002 0.000 1.146 426 L HN 0.045 nan 8.230 nan 0.000 0.484 427 A N 0.547 123.366 122.820 -0.002 0.000 1.859 427 A HA -0.255 4.066 4.320 0.001 0.000 0.217 427 A C 1.920 179.502 177.584 -0.003 0.000 1.198 427 A CA 2.168 54.203 52.037 -0.003 0.000 0.629 427 A CB -0.375 18.623 19.000 -0.004 0.000 0.830 427 A HN 0.318 nan 8.150 nan 0.000 0.446 428 D N -1.056 119.342 120.400 -0.003 0.000 2.328 428 D HA 0.146 4.787 4.640 0.001 0.000 0.221 428 D C 0.042 176.340 176.300 -0.003 0.000 1.072 428 D CA -0.224 53.774 54.000 -0.003 0.000 0.850 428 D CB -0.122 40.676 40.800 -0.003 0.000 0.922 428 D HN 0.260 nan 8.370 nan 0.000 0.516 429 L N 1.664 122.886 121.223 -0.003 0.000 2.453 429 L HA 0.099 4.440 4.340 0.001 0.000 0.272 429 L C 0.098 176.967 176.870 -0.002 0.000 1.182 429 L CA 0.549 55.388 54.840 -0.003 0.000 0.858 429 L CB 0.289 42.347 42.059 -0.003 0.000 1.120 429 L HN -0.206 nan 8.230 nan 0.000 0.474 430 R N 2.976 123.475 120.500 -0.002 0.000 2.912 430 R HA 0.745 5.086 4.340 0.001 0.000 0.262 430 R C -0.054 176.245 176.300 -0.002 0.000 1.057 430 R CA -0.317 55.782 56.100 -0.002 0.000 0.981 430 R CB 1.180 31.479 30.300 -0.002 0.000 1.201 430 R HN 0.807 nan 8.270 nan 0.000 0.484 431 G N -0.474 108.325 108.800 -0.001 0.000 3.135 431 G HA2 0.165 4.126 3.960 0.001 0.000 0.159 431 G HA3 0.165 4.126 3.960 0.001 0.000 0.159 431 G C 0.092 174.992 174.900 -0.001 0.000 1.244 431 G CA -0.203 44.896 45.100 -0.001 0.000 0.965 431 G HN 0.396 nan 8.290 nan 0.000 0.599 432 Q N -0.145 119.655 119.800 -0.000 0.000 2.311 432 Q HA 0.096 4.436 4.340 0.001 0.000 0.203 432 Q C 0.026 176.026 176.000 0.000 0.000 0.954 432 Q CA 1.053 56.856 55.803 0.000 0.000 0.885 432 Q CB 0.048 28.786 28.738 0.000 0.000 0.963 432 Q HN 0.598 nan 8.270 nan 0.000 0.471 433 N N -2.352 116.348 118.700 0.001 0.000 3.227 433 N HA 0.016 4.757 4.740 0.001 0.000 0.241 433 N C -0.355 175.156 175.510 0.001 0.000 1.480 433 N CA -0.502 52.549 53.050 0.001 0.000 0.886 433 N CB 0.459 38.947 38.487 0.002 0.000 1.406 433 N HN -0.299 nan 8.380 nan 0.000 0.514 434 E N -0.282 119.919 120.200 0.001 0.000 2.152 434 E HA -0.016 4.335 4.350 0.001 0.000 0.192 434 E C 0.141 176.742 176.600 0.002 0.000 0.983 434 E CA 1.343 57.744 56.400 0.001 0.000 0.818 434 E CB -0.298 29.403 29.700 0.001 0.000 0.758 434 E HN 0.669 nan 8.360 nan 0.000 0.467 435 D N -0.160 120.241 120.400 0.002 0.000 2.123 435 D HA -0.185 4.456 4.640 0.001 0.000 0.196 435 D C 1.766 178.068 176.300 0.002 0.000 0.992 435 D CA 1.171 55.173 54.000 0.003 0.000 0.833 435 D CB -0.046 40.756 40.800 0.003 0.000 0.954 435 D HN 0.249 nan 8.370 nan 0.000 0.455 436 Q N -0.141 119.660 119.800 0.002 0.000 2.123 436 Q HA -0.061 4.280 4.340 0.001 0.000 0.199 436 Q C 1.659 177.659 176.000 0.001 0.000 0.966 436 Q CA 0.655 56.459 55.803 0.001 0.000 0.845 436 Q CB 0.067 28.805 28.738 0.000 0.000 0.907 436 Q HN 0.278 nan 8.270 nan 0.000 0.439 437 N N 0.149 118.849 118.700 0.000 0.000 2.120 437 N HA -0.130 4.611 4.740 0.001 0.000 0.188 437 N C 1.855 177.366 175.510 0.001 0.000 1.024 437 N CA 1.053 54.103 53.050 0.000 0.000 0.852 437 N CB -0.409 38.078 38.487 -0.000 0.000 1.003 437 N HN 0.043 nan 8.380 nan 0.000 0.424 438 V N 0.959 120.874 119.914 0.001 0.000 2.343 438 V HA -0.157 3.964 4.120 0.001 0.000 0.247 438 V C 2.449 178.544 176.094 0.002 0.000 1.051 438 V CA 2.045 64.346 62.300 0.002 0.000 1.036 438 V CB -1.277 30.547 31.823 0.003 0.000 0.654 438 V HN 0.358 nan 8.190 nan 0.000 0.451 439 G N -0.047 108.754 108.800 0.002 0.000 2.446 439 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 439 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 439 G C 1.577 176.478 174.900 0.001 0.000 1.168 439 G CA 1.123 46.224 45.100 0.002 0.000 0.771 439 G HN 0.494 nan 8.290 nan 0.000 0.551 440 I N 0.142 120.712 120.570 0.000 0.000 2.208 440 I HA -0.152 4.019 4.170 0.001 0.000 0.245 440 I C 2.654 178.772 176.117 0.000 0.000 1.097 440 I CA 1.221 62.521 61.300 -0.001 0.000 1.363 440 I CB -0.042 37.957 38.000 -0.001 0.000 1.051 440 I HN 0.008 nan 8.210 nan 0.000 0.413 441 K N 0.179 120.580 120.400 0.001 0.000 2.228 441 K HA 0.010 4.331 4.320 0.001 0.000 0.202 441 K C 1.867 178.469 176.600 0.003 0.000 1.051 441 K CA 0.593 56.881 56.287 0.001 0.000 0.960 441 K CB -0.373 32.128 32.500 0.001 0.000 0.743 441 K HN 0.099 nan 8.250 nan 0.000 0.458 442 V N 0.686 120.602 119.914 0.003 0.000 2.427 442 V HA -0.204 3.916 4.120 0.001 0.000 0.248 442 V C 2.131 178.228 176.094 0.005 0.000 1.051 442 V CA 1.852 64.155 62.300 0.004 0.000 1.048 442 V CB -0.590 31.236 31.823 0.005 0.000 0.666 442 V HN 0.309 nan 8.190 nan 0.000 0.456 443 A N -0.111 122.711 122.820 0.004 0.000 1.865 443 A HA -0.198 4.123 4.320 0.001 0.000 0.217 443 A C 2.217 179.804 177.584 0.004 0.000 1.191 443 A CA 1.945 53.984 52.037 0.003 0.000 0.623 443 A CB -0.630 18.370 19.000 0.001 0.000 0.826 443 A HN 0.475 nan 8.150 nan 0.000 0.444 444 L N -1.093 120.132 121.223 0.003 0.000 2.013 444 L HA -0.242 4.098 4.340 0.001 0.000 0.212 444 L C 2.820 179.693 176.870 0.006 0.000 1.073 444 L CA 1.938 56.780 54.840 0.004 0.000 0.753 444 L CB -0.472 41.588 42.059 0.003 0.000 0.890 444 L HN 0.463 nan 8.230 nan 0.000 0.432 445 R N 0.013 120.516 120.500 0.006 0.000 2.139 445 R HA -0.210 4.131 4.340 0.001 0.000 0.243 445 R C 2.047 178.352 176.300 0.009 0.000 1.145 445 R CA 1.521 57.624 56.100 0.006 0.000 0.976 445 R CB -0.158 30.145 30.300 0.006 0.000 0.866 445 R HN 0.404 nan 8.270 nan 0.000 0.449 446 A N -0.189 122.636 122.820 0.009 0.000 2.132 446 A HA 0.033 4.354 4.320 0.001 0.000 0.213 446 A C 1.899 179.491 177.584 0.013 0.000 1.154 446 A CA 0.296 52.339 52.037 0.012 0.000 0.753 446 A CB -0.095 18.912 19.000 0.012 0.000 0.826 446 A HN 0.283 nan 8.150 nan 0.000 0.469 447 M N -0.412 119.195 119.600 0.012 0.000 2.460 447 M HA -0.102 4.379 4.480 0.001 0.000 0.263 447 M C 1.410 177.721 176.300 0.018 0.000 1.071 447 M CA 1.001 56.310 55.300 0.014 0.000 1.096 447 M CB -0.261 32.346 32.600 0.012 0.000 1.408 447 M HN 0.456 nan 8.290 nan 0.000 0.463 448 E N 0.421 120.632 120.200 0.017 0.000 2.358 448 E HA -0.050 4.301 4.350 0.001 0.000 0.195 448 E C 2.077 178.690 176.600 0.021 0.000 1.010 448 E CA 0.626 57.038 56.400 0.020 0.000 0.856 448 E CB 0.009 29.719 29.700 0.017 0.000 0.795 448 E HN 0.496 nan 8.360 nan 0.000 0.504 449 A N 2.288 125.120 122.820 0.019 0.000 1.908 449 A HA -0.128 4.192 4.320 0.001 0.000 0.218 449 A C -0.320 177.277 177.584 0.022 0.000 1.181 449 A CA 1.164 53.212 52.037 0.020 0.000 0.627 449 A CB -1.354 17.657 19.000 0.018 0.000 0.818 449 A HN 0.138 nan 8.150 nan 0.000 0.445 450 P HA -0.169 nan 4.420 nan 0.000 0.214 450 P C 1.826 179.144 177.300 0.030 0.000 1.163 450 P CA 0.852 63.968 63.100 0.026 0.000 0.883 450 P CB -0.135 31.581 31.700 0.027 0.000 0.788 451 L N -0.081 121.162 121.223 0.034 0.000 1.994 451 L HA -0.138 4.203 4.340 0.001 0.000 0.208 451 L C 2.204 179.096 176.870 0.036 0.000 1.071 451 L CA 2.064 56.928 54.840 0.041 0.000 0.745 451 L CB -1.026 41.062 42.059 0.047 0.000 0.892 451 L HN -0.065 nan 8.230 nan 0.000 0.431 452 R N -0.693 119.824 120.500 0.029 0.000 2.091 452 R HA -0.194 4.147 4.340 0.001 0.000 0.238 452 R C 2.176 178.490 176.300 0.024 0.000 1.136 452 R CA 1.514 57.627 56.100 0.023 0.000 0.959 452 R CB -0.147 30.165 30.300 0.019 0.000 0.856 452 R HN 0.531 nan 8.270 nan 0.000 0.437 453 Q N 0.265 120.079 119.800 0.024 0.000 2.187 453 Q HA -0.024 4.316 4.340 0.001 0.000 0.199 453 Q C 2.211 178.226 176.000 0.025 0.000 0.957 453 Q CA 0.978 56.795 55.803 0.023 0.000 0.857 453 Q CB -0.004 28.747 28.738 0.021 0.000 0.929 453 Q HN 0.413 nan 8.270 nan 0.000 0.453 454 I N 0.075 120.663 120.570 0.030 0.000 2.127 454 I HA -0.274 3.896 4.170 0.001 0.000 0.241 454 I C 2.231 178.372 176.117 0.041 0.000 1.075 454 I CA 1.067 62.387 61.300 0.034 0.000 1.334 454 I CB -0.345 37.679 38.000 0.040 0.000 1.040 454 I HN -0.037 nan 8.210 nan 0.000 0.405 455 V N 0.441 120.382 119.914 0.045 0.000 2.515 455 V HA -0.236 3.884 4.120 0.001 0.000 0.250 455 V C 2.285 178.401 176.094 0.037 0.000 1.058 455 V CA 1.316 63.646 62.300 0.050 0.000 1.064 455 V CB -0.461 31.383 31.823 0.035 0.000 0.675 455 V HN 0.357 nan 8.190 nan 0.000 0.461 456 L N 0.481 121.721 121.223 0.028 0.000 2.141 456 L HA -0.084 4.257 4.340 0.001 0.000 0.209 456 L C 2.147 179.030 176.870 0.022 0.000 1.094 456 L CA 1.793 56.646 54.840 0.022 0.000 0.763 456 L CB -0.876 41.194 42.059 0.019 0.000 0.908 456 L HN 0.315 nan 8.230 nan 0.000 0.437 457 N N -1.118 117.596 118.700 0.023 0.000 2.188 457 N HA -0.191 4.549 4.740 0.001 0.000 0.184 457 N C 1.786 177.308 175.510 0.021 0.000 1.018 457 N CA 1.795 54.856 53.050 0.019 0.000 0.858 457 N CB -0.241 38.256 38.487 0.017 0.000 0.989 457 N HN 0.435 nan 8.380 nan 0.000 0.426 458 C N -0.388 118.930 119.300 0.029 0.000 2.440 458 C HA 0.051 4.512 4.460 0.001 0.000 0.278 458 C C 1.862 176.872 174.990 0.034 0.000 1.295 458 C CA 0.940 59.978 59.018 0.034 0.000 1.738 458 C CB -0.944 26.833 27.740 0.060 0.000 1.987 458 C HN 0.714 nan 8.230 nan 0.000 0.492 459 G N 0.260 109.081 108.800 0.035 0.000 2.157 459 G HA2 -0.171 3.790 3.960 0.001 0.000 0.239 459 G HA3 -0.171 3.790 3.960 0.001 0.000 0.239 459 G C -0.246 174.677 174.900 0.038 0.000 0.982 459 G CA 0.368 45.486 45.100 0.030 0.000 0.650 459 G HN 0.517 nan 8.290 nan 0.000 0.527 460 E N 0.431 120.663 120.200 0.053 0.000 2.359 460 E HA 0.580 4.931 4.350 0.001 0.000 0.255 460 E C 0.422 177.036 176.600 0.023 0.000 1.191 460 E CA -0.507 55.924 56.400 0.051 0.000 0.952 460 E CB 0.516 30.272 29.700 0.093 0.000 1.152 460 E HN 0.380 nan 8.360 nan 0.000 0.496 461 E N 1.527 121.730 120.200 0.006 0.000 2.129 461 E HA 0.065 4.415 4.350 0.001 0.000 0.283 461 E C -1.739 174.854 176.600 -0.011 0.000 1.080 461 E CA -1.476 54.923 56.400 -0.000 0.000 0.867 461 E CB 0.747 30.447 29.700 -0.000 0.000 1.056 461 E HN 0.264 nan 8.360 nan 0.000 0.404 462 P HA -0.217 nan 4.420 nan 0.000 0.216 462 P C 1.412 178.711 177.300 -0.002 0.000 1.150 462 P CA 1.172 64.273 63.100 0.001 0.000 0.837 462 P CB 0.230 31.935 31.700 0.009 0.000 0.786 463 S N -0.830 114.868 115.700 -0.002 0.000 2.351 463 S HA -0.155 4.316 4.470 0.001 0.000 0.220 463 S C 2.026 176.622 174.600 -0.007 0.000 1.035 463 S CA 1.781 59.980 58.200 -0.003 0.000 1.031 463 S CB -1.816 61.383 63.200 -0.002 0.000 0.928 463 S HN -0.037 nan 8.310 nan 0.000 0.433 464 V N 1.881 121.788 119.914 -0.012 0.000 2.261 464 V HA -0.122 3.999 4.120 0.001 0.000 0.246 464 V C 2.701 178.784 176.094 -0.018 0.000 1.047 464 V CA 1.754 64.044 62.300 -0.016 0.000 1.015 464 V CB -0.870 30.946 31.823 -0.012 0.000 0.642 464 V HN 0.469 nan 8.190 nan 0.000 0.446 465 V N 0.231 120.116 119.914 -0.048 0.000 2.548 465 V HA -0.163 3.957 4.120 0.001 0.000 0.249 465 V C 2.643 178.745 176.094 0.013 0.000 1.055 465 V CA 1.630 63.886 62.300 -0.075 0.000 1.065 465 V CB -1.069 30.618 31.823 -0.227 0.000 0.681 465 V HN 0.534 nan 8.190 nan 0.000 0.462 466 A N 0.714 123.541 122.820 0.012 0.000 1.877 466 A HA -0.219 4.102 4.320 0.001 0.000 0.216 466 A C 2.042 179.644 177.584 0.029 0.000 1.186 466 A CA 2.200 54.254 52.037 0.029 0.000 0.620 466 A CB -0.683 18.327 19.000 0.018 0.000 0.822 466 A HN 0.559 nan 8.150 nan 0.000 0.443 467 N N -0.235 118.470 118.700 0.008 0.000 2.309 467 N HA -0.098 4.643 4.740 0.001 0.000 0.182 467 N C 1.893 177.388 175.510 -0.024 0.000 1.018 467 N CA 1.908 54.952 53.050 -0.010 0.000 0.876 467 N CB -0.536 37.939 38.487 -0.021 0.000 0.972 467 N HN 0.727 nan 8.380 nan 0.000 0.434 468 T N -2.070 112.478 114.554 -0.010 0.000 2.732 468 T HA -0.035 4.316 4.350 0.001 0.000 0.261 468 T C 2.040 176.818 174.700 0.130 0.000 1.040 468 T CA 1.010 63.094 62.100 -0.028 0.000 1.145 468 T CB -0.886 67.906 68.868 -0.128 0.000 0.866 468 T HN -0.101 nan 8.240 nan 0.000 0.427 469 V N 2.091 122.151 119.914 0.243 0.000 2.392 469 V HA -0.180 3.941 4.120 0.001 0.000 0.249 469 V C 2.792 178.982 176.094 0.159 0.000 1.059 469 V CA 1.895 64.372 62.300 0.295 0.000 1.051 469 V CB -0.667 31.288 31.823 0.220 0.000 0.658 469 V HN 0.530 nan 8.190 nan 0.000 0.455 470 K N -0.012 120.430 120.400 0.071 0.000 2.057 470 K HA -0.061 4.260 4.320 0.001 0.000 0.206 470 K C 2.158 178.739 176.600 -0.031 0.000 1.050 470 K CA 1.446 57.746 56.287 0.021 0.000 0.935 470 K CB -0.480 32.025 32.500 0.008 0.000 0.715 470 K HN 0.548 nan 8.250 nan 0.000 0.439 471 G N 0.602 109.352 108.800 -0.083 0.000 2.603 471 G HA2 0.022 3.983 3.960 0.001 0.000 0.214 471 G HA3 0.022 3.983 3.960 0.001 0.000 0.214 471 G C 0.536 175.271 174.900 -0.274 0.000 1.140 471 G CA 0.165 45.177 45.100 -0.147 0.000 0.800 471 G HN 0.302 nan 8.290 nan 0.000 0.533 472 G N 0.086 108.600 108.800 -0.477 0.000 2.420 472 G HA2 0.463 4.424 3.960 0.001 0.000 0.284 472 G HA3 0.463 4.424 3.960 0.001 0.000 0.284 472 G C -1.256 173.437 174.900 -0.346 0.000 1.177 472 G CA -0.458 44.130 45.100 -0.855 0.000 0.841 472 G HN 0.173 nan 8.290 nan 0.000 0.527 473 D N 0.399 120.674 120.400 -0.208 0.000 2.302 473 D HA 0.440 5.081 4.640 0.001 0.000 0.248 473 D C 1.407 177.742 176.300 0.059 0.000 1.094 473 D CA 1.071 55.044 54.000 -0.045 0.000 0.897 473 D CB 1.350 42.125 40.800 -0.042 0.000 1.200 473 D HN 0.650 nan 8.370 nan 0.000 0.429 474 G N 2.648 111.481 108.800 0.054 0.000 2.952 474 G HA2 -0.496 3.465 3.960 0.001 0.000 0.346 474 G HA3 -0.496 3.465 3.960 0.001 0.000 0.346 474 G C 1.132 176.092 174.900 0.099 0.000 1.191 474 G CA 0.515 45.654 45.100 0.065 0.000 0.961 474 G HN 0.641 nan 8.290 nan 0.000 0.588 475 N N 0.058 118.822 118.700 0.106 0.000 2.459 475 N HA -0.009 4.731 4.740 0.001 0.000 0.181 475 N C 0.861 176.464 175.510 0.154 0.000 1.046 475 N CA 0.469 53.583 53.050 0.106 0.000 0.904 475 N CB 0.118 38.655 38.487 0.082 0.000 0.964 475 N HN 0.537 nan 8.380 nan 0.000 0.444 476 Y N 1.335 121.669 120.300 0.057 0.000 2.610 476 Y HA 0.198 4.748 4.550 0.001 0.000 0.332 476 Y C 0.786 176.761 175.900 0.125 0.000 1.201 476 Y CA 0.595 58.748 58.100 0.088 0.000 1.465 476 Y CB 0.364 38.861 38.460 0.062 0.000 1.283 476 Y HN 0.009 nan 8.280 nan 0.000 0.563 477 G N 3.498 112.179 108.800 -0.199 0.000 2.427 477 G HA2 0.196 4.156 3.960 0.001 0.000 0.306 477 G HA3 0.196 4.156 3.960 0.001 0.000 0.306 477 G C -2.573 172.296 174.900 -0.051 0.000 1.280 477 G CA -0.966 44.115 45.100 -0.031 0.000 0.837 477 G HN 0.511 nan 8.290 nan 0.000 0.482 478 Y N 1.647 121.839 120.300 -0.180 0.000 2.335 478 Y HA 0.563 5.114 4.550 0.001 0.000 0.338 478 Y C 0.172 175.911 175.900 -0.268 0.000 0.977 478 Y CA -1.581 56.277 58.100 -0.404 0.000 1.114 478 Y CB 1.543 39.749 38.460 -0.423 0.000 1.182 478 Y HN 0.445 nan 8.280 nan 0.000 0.463 479 N N 4.629 122.976 118.700 -0.588 0.000 2.400 479 N HA 0.062 4.803 4.740 0.001 0.000 0.267 479 N C 0.472 175.562 175.510 -0.700 0.000 1.208 479 N CA 0.611 53.361 53.050 -0.499 0.000 0.951 479 N CB 1.072 39.337 38.487 -0.371 0.000 1.227 479 N HN 0.881 nan 8.380 nan 0.000 0.488 480 A N 3.189 125.753 122.820 -0.426 0.000 2.216 480 A HA 0.068 4.388 4.320 0.001 0.000 0.214 480 A C 1.798 179.249 177.584 -0.221 0.000 1.160 480 A CA 1.251 53.108 52.037 -0.299 0.000 0.725 480 A CB -0.082 18.857 19.000 -0.103 0.000 0.784 480 A HN 0.703 nan 8.150 nan 0.000 0.472 481 A N -0.678 122.011 122.820 -0.218 0.000 1.901 481 A HA 0.108 4.428 4.320 0.001 0.000 0.210 481 A C 2.218 179.705 177.584 -0.162 0.000 1.208 481 A CA 1.782 53.728 52.037 -0.151 0.000 0.644 481 A CB -0.596 18.335 19.000 -0.116 0.000 0.863 481 A HN 0.679 nan 8.150 nan 0.000 0.454 482 T N -3.525 110.903 114.554 -0.209 0.000 3.040 482 T HA 0.271 4.622 4.350 0.001 0.000 0.250 482 T C 0.134 174.702 174.700 -0.220 0.000 1.058 482 T CA 0.785 62.780 62.100 -0.176 0.000 0.988 482 T CB -0.162 68.622 68.868 -0.139 0.000 0.993 482 T HN 0.530 nan 8.240 nan 0.000 0.519 483 E N 1.209 121.171 120.200 -0.398 0.000 2.769 483 E HA -0.119 4.232 4.350 0.001 0.000 0.303 483 E C -0.346 176.020 176.600 -0.389 0.000 0.962 483 E CA 0.610 56.744 56.400 -0.444 0.000 0.940 483 E CB -1.843 27.792 29.700 -0.109 0.000 1.437 483 E HN 0.965 nan 8.360 nan 0.000 0.401 484 E N -0.726 119.099 120.200 -0.626 0.000 2.430 484 E HA 0.523 4.874 4.350 0.001 0.000 0.279 484 E C -0.996 175.375 176.600 -0.383 0.000 1.003 484 E CA -0.935 55.311 56.400 -0.257 0.000 0.801 484 E CB 1.021 30.668 29.700 -0.088 0.000 1.313 484 E HN 0.026 nan 8.360 nan 0.000 0.459 485 Y N -0.222 120.107 120.300 0.049 0.000 2.374 485 Y HA 0.709 5.260 4.550 0.001 0.000 0.322 485 Y C 1.063 176.870 175.900 -0.156 0.000 1.275 485 Y CA 0.911 58.952 58.100 -0.097 0.000 1.307 485 Y CB 1.904 40.245 38.460 -0.198 0.000 1.282 485 Y HN 0.880 nan 8.280 nan 0.000 0.509 486 G N 0.306 109.047 108.800 -0.098 0.000 2.356 486 G HA2 0.007 3.968 3.960 0.001 0.000 0.281 486 G HA3 0.007 3.968 3.960 0.001 0.000 0.281 486 G C -1.841 173.021 174.900 -0.063 0.000 1.246 486 G CA -1.135 43.932 45.100 -0.056 0.000 0.889 486 G HN 0.465 nan 8.290 nan 0.000 0.486 487 N N 1.123 119.816 118.700 -0.012 0.000 2.430 487 N HA 0.177 4.918 4.740 0.001 0.000 0.265 487 N C 1.731 177.236 175.510 -0.008 0.000 1.100 487 N CA -0.490 52.566 53.050 0.010 0.000 0.961 487 N CB 0.968 39.470 38.487 0.025 0.000 1.075 487 N HN 0.367 nan 8.380 nan 0.000 0.478 488 M N 3.282 122.883 119.600 0.002 0.000 2.202 488 M HA -0.157 4.323 4.480 0.001 0.000 0.262 488 M C 1.376 177.676 176.300 -0.001 0.000 1.063 488 M CA 0.989 56.288 55.300 -0.002 0.000 1.097 488 M CB -0.381 32.231 32.600 0.021 0.000 1.382 488 M HN 0.547 nan 8.290 nan 0.000 0.413 489 I N 0.460 121.034 120.570 0.008 0.000 2.162 489 I HA -0.223 3.948 4.170 0.001 0.000 0.238 489 I C 1.696 177.812 176.117 -0.002 0.000 1.076 489 I CA 1.640 62.944 61.300 0.006 0.000 1.353 489 I CB -1.709 36.299 38.000 0.013 0.000 1.063 489 I HN 0.228 nan 8.210 nan 0.000 0.408 490 D N 0.649 121.048 120.400 -0.003 0.000 2.144 490 D HA -0.123 4.518 4.640 0.001 0.000 0.200 490 D C 2.302 178.592 176.300 -0.018 0.000 0.978 490 D CA 0.908 54.903 54.000 -0.007 0.000 0.833 490 D CB -0.166 40.632 40.800 -0.003 0.000 0.961 490 D HN 0.236 nan 8.370 nan 0.000 0.470 491 M N -0.283 119.301 119.600 -0.027 0.000 2.460 491 M HA 0.059 4.539 4.480 0.001 0.000 0.263 491 M C 0.801 177.077 176.300 -0.041 0.000 1.071 491 M CA 1.051 56.325 55.300 -0.044 0.000 1.096 491 M CB 0.015 32.576 32.600 -0.065 0.000 1.408 491 M HN 0.186 nan 8.290 nan 0.000 0.463 492 G N 2.270 111.053 108.800 -0.028 0.000 2.467 492 G HA2 -0.182 3.778 3.960 0.001 0.000 0.242 492 G HA3 -0.182 3.778 3.960 0.001 0.000 0.242 492 G C -0.359 174.527 174.900 -0.023 0.000 1.127 492 G CA -0.563 44.523 45.100 -0.023 0.000 0.924 492 G HN 0.497 nan 8.290 nan 0.000 0.499 493 I N 0.803 121.363 120.570 -0.017 0.000 2.563 493 I HA 0.406 4.577 4.170 0.001 0.000 0.276 493 I C 0.442 176.560 176.117 0.001 0.000 1.074 493 I CA -0.645 60.648 61.300 -0.012 0.000 1.124 493 I CB 0.857 38.847 38.000 -0.018 0.000 1.225 493 I HN 0.040 nan 8.210 nan 0.000 0.482 494 L N 3.731 124.956 121.223 0.003 0.000 2.332 494 L HA 0.596 4.936 4.340 0.001 0.000 0.269 494 L C -0.273 176.604 176.870 0.011 0.000 1.016 494 L CA -0.746 54.099 54.840 0.009 0.000 0.809 494 L CB 1.644 43.707 42.059 0.007 0.000 1.280 494 L HN 0.395 nan 8.230 nan 0.000 0.447 495 D N 1.690 122.098 120.400 0.015 0.000 2.408 495 D HA 0.285 4.926 4.640 0.001 0.000 0.243 495 D C -2.508 173.802 176.300 0.016 0.000 1.075 495 D CA -1.153 52.857 54.000 0.016 0.000 0.832 495 D CB 2.456 43.267 40.800 0.019 0.000 1.162 495 D HN 0.148 nan 8.370 nan 0.000 0.515 496 P HA 0.109 nan 4.420 nan 0.000 0.279 496 P C 0.839 178.150 177.300 0.019 0.000 1.318 496 P CA -0.262 62.848 63.100 0.017 0.000 0.819 496 P CB 0.983 32.694 31.700 0.017 0.000 0.927 497 T N 2.796 117.360 114.554 0.017 0.000 2.665 497 T HA -0.223 4.127 4.350 0.001 0.000 0.268 497 T C 1.655 176.365 174.700 0.017 0.000 1.035 497 T CA 1.607 63.716 62.100 0.015 0.000 1.151 497 T CB -0.302 68.573 68.868 0.012 0.000 0.862 497 T HN 0.434 nan 8.240 nan 0.000 0.438 498 K N 0.747 121.160 120.400 0.021 0.000 2.103 498 K HA -0.117 4.204 4.320 0.001 0.000 0.207 498 K C 2.430 179.052 176.600 0.037 0.000 1.048 498 K CA 1.444 57.748 56.287 0.028 0.000 0.930 498 K CB -0.304 32.215 32.500 0.032 0.000 0.716 498 K HN 0.375 nan 8.250 nan 0.000 0.444 499 V N -1.282 118.654 119.914 0.036 0.000 2.323 499 V HA -0.145 3.976 4.120 0.001 0.000 0.244 499 V C 1.756 177.876 176.094 0.043 0.000 1.041 499 V CA 2.217 64.543 62.300 0.043 0.000 1.025 499 V CB -0.758 31.087 31.823 0.037 0.000 0.656 499 V HN 0.228 nan 8.190 nan 0.000 0.451 500 T N 0.151 114.724 114.554 0.031 0.000 2.942 500 T HA -0.009 4.341 4.350 0.001 0.000 0.265 500 T C 2.071 176.782 174.700 0.019 0.000 1.062 500 T CA 1.317 63.433 62.100 0.027 0.000 1.139 500 T CB -0.353 68.528 68.868 0.022 0.000 0.883 500 T HN 0.415 nan 8.240 nan 0.000 0.468 501 R N 1.460 121.967 120.500 0.011 0.000 2.073 501 R HA -0.034 4.307 4.340 0.001 0.000 0.234 501 R C 2.424 178.709 176.300 -0.025 0.000 1.134 501 R CA 1.600 57.693 56.100 -0.011 0.000 0.952 501 R CB -0.742 29.550 30.300 -0.012 0.000 0.850 501 R HN 0.306 nan 8.270 nan 0.000 0.433 502 S N 0.856 116.568 115.700 0.019 0.000 2.356 502 S HA -0.114 4.357 4.470 0.001 0.000 0.223 502 S C 2.106 176.788 174.600 0.136 0.000 1.032 502 S CA 1.252 59.500 58.200 0.080 0.000 1.005 502 S CB -0.389 62.926 63.200 0.191 0.000 0.867 502 S HN 0.542 nan 8.310 nan 0.000 0.449 503 A N 2.309 125.193 122.820 0.107 0.000 1.873 503 A HA -0.106 4.214 4.320 0.001 0.000 0.218 503 A C 2.127 179.749 177.584 0.062 0.000 1.193 503 A CA 1.492 53.587 52.037 0.095 0.000 0.629 503 A CB -0.930 18.107 19.000 0.062 0.000 0.826 503 A HN 0.431 nan 8.150 nan 0.000 0.447 504 L N -0.286 120.949 121.223 0.020 0.000 1.994 504 L HA -0.220 4.121 4.340 0.001 0.000 0.208 504 L C 2.478 179.327 176.870 -0.036 0.000 1.071 504 L CA 2.531 57.369 54.840 -0.004 0.000 0.745 504 L CB -1.372 40.680 42.059 -0.012 0.000 0.892 504 L HN 0.558 nan 8.230 nan 0.000 0.431 505 Q N -1.207 118.527 119.800 -0.109 0.000 2.020 505 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 505 Q C 2.106 177.990 176.000 -0.194 0.000 0.982 505 Q CA 2.063 57.736 55.803 -0.217 0.000 0.838 505 Q CB -0.287 28.207 28.738 -0.406 0.000 0.899 505 Q HN 0.517 nan 8.270 nan 0.000 0.423 506 Y N 0.115 120.417 120.300 0.003 0.000 2.200 506 Y HA -0.136 4.415 4.550 0.001 0.000 0.290 506 Y C 2.369 178.271 175.900 0.003 0.000 1.137 506 Y CA 0.838 58.940 58.100 0.002 0.000 1.163 506 Y CB -0.786 37.674 38.460 0.001 0.000 0.988 506 Y HN 0.138 nan 8.280 nan 0.000 0.518 507 A N 0.297 123.199 122.820 0.137 0.000 1.865 507 A HA -0.191 4.130 4.320 0.001 0.000 0.217 507 A C 2.490 180.104 177.584 0.052 0.000 1.191 507 A CA 2.327 54.412 52.037 0.079 0.000 0.623 507 A CB -1.333 17.702 19.000 0.058 0.000 0.826 507 A HN 0.397 nan 8.150 nan 0.000 0.444 508 A N -1.226 121.611 122.820 0.029 0.000 1.898 508 A HA -0.066 4.255 4.320 0.001 0.000 0.216 508 A C 2.500 180.094 177.584 0.017 0.000 1.181 508 A CA 2.176 54.221 52.037 0.014 0.000 0.620 508 A CB -0.909 18.088 19.000 -0.004 0.000 0.819 508 A HN 0.568 nan 8.150 nan 0.000 0.442 509 S N -0.773 114.938 115.700 0.019 0.000 2.368 509 S HA -0.097 4.374 4.470 0.001 0.000 0.224 509 S C 1.871 176.501 174.600 0.050 0.000 1.029 509 S CA 1.534 59.751 58.200 0.028 0.000 0.988 509 S CB -0.361 62.855 63.200 0.026 0.000 0.838 509 S HN 0.270 nan 8.310 nan 0.000 0.462 510 V N 2.010 121.968 119.914 0.073 0.000 2.453 510 V HA -0.013 4.107 4.120 0.001 0.000 0.247 510 V C 2.801 178.919 176.094 0.039 0.000 1.048 510 V CA 1.452 63.789 62.300 0.061 0.000 1.049 510 V CB -1.208 30.656 31.823 0.069 0.000 0.672 510 V HN 0.578 nan 8.190 nan 0.000 0.457 511 A N 0.809 123.650 122.820 0.036 0.000 1.883 511 A HA -0.130 4.190 4.320 0.001 0.000 0.217 511 A C 2.412 180.009 177.584 0.021 0.000 1.186 511 A CA 2.023 54.076 52.037 0.026 0.000 0.624 511 A CB -1.249 17.765 19.000 0.024 0.000 0.822 511 A HN 0.524 nan 8.150 nan 0.000 0.444 512 G N -0.613 108.199 108.800 0.020 0.000 2.448 512 G HA2 -0.077 3.883 3.960 0.001 0.000 0.219 512 G HA3 -0.077 3.883 3.960 0.001 0.000 0.219 512 G C 1.520 176.430 174.900 0.015 0.000 1.127 512 G CA 0.966 46.075 45.100 0.015 0.000 0.766 512 G HN 0.435 nan 8.290 nan 0.000 0.552 513 L N -0.485 120.750 121.223 0.020 0.000 2.068 513 L HA 0.095 4.436 4.340 0.001 0.000 0.204 513 L C 2.854 179.733 176.870 0.014 0.000 1.076 513 L CA 0.999 55.849 54.840 0.017 0.000 0.753 513 L CB -0.328 41.744 42.059 0.022 0.000 0.910 513 L HN 0.220 nan 8.230 nan 0.000 0.439 514 M N 0.686 120.295 119.600 0.016 0.000 2.149 514 M HA -0.214 4.267 4.480 0.001 0.000 0.261 514 M C 2.286 178.594 176.300 0.013 0.000 1.064 514 M CA 1.820 57.129 55.300 0.014 0.000 1.102 514 M CB -0.197 32.413 32.600 0.017 0.000 1.369 514 M HN 0.330 nan 8.290 nan 0.000 0.408 515 I N -1.749 118.829 120.570 0.013 0.000 2.700 515 I HA -0.162 4.008 4.170 0.001 0.000 0.261 515 I C 1.855 177.977 176.117 0.010 0.000 1.219 515 I CA 1.619 62.926 61.300 0.012 0.000 1.463 515 I CB -1.341 36.666 38.000 0.012 0.000 1.092 515 I HN 0.336 nan 8.210 nan 0.000 0.452 516 T N -1.690 112.869 114.554 0.008 0.000 3.148 516 T HA 0.062 4.413 4.350 0.001 0.000 0.253 516 T C 0.806 175.507 174.700 0.001 0.000 1.134 516 T CA 0.048 62.151 62.100 0.006 0.000 1.051 516 T CB -1.117 67.754 68.868 0.005 0.000 0.959 516 T HN 0.324 nan 8.240 nan 0.000 0.525 517 T N 2.946 117.501 114.554 0.001 0.000 2.761 517 T HA 0.178 4.529 4.350 0.001 0.000 0.287 517 T C 0.628 175.323 174.700 -0.009 0.000 0.931 517 T CA 0.015 62.112 62.100 -0.006 0.000 1.164 517 T CB 0.918 69.787 68.868 0.002 0.000 0.876 517 T HN 0.315 nan 8.240 nan 0.000 0.534 518 E N 1.159 121.345 120.200 -0.023 0.000 2.526 518 E HA 0.297 4.648 4.350 0.001 0.000 0.208 518 E C -0.232 176.321 176.600 -0.078 0.000 0.997 518 E CA -0.183 56.204 56.400 -0.022 0.000 0.961 518 E CB 0.343 30.040 29.700 -0.004 0.000 1.030 518 E HN 0.662 nan 8.360 nan 0.000 0.483 519 C N -0.486 118.733 119.300 -0.134 0.000 3.289 519 C HA 0.619 5.080 4.460 0.001 0.000 0.354 519 C C -1.852 173.046 174.990 -0.154 0.000 1.201 519 C CA -0.732 58.115 59.018 -0.284 0.000 1.199 519 C CB 0.410 27.790 27.740 -0.601 0.000 1.511 519 C HN 0.260 nan 8.230 nan 0.000 0.506 520 M N 3.516 123.061 119.600 -0.092 0.000 2.484 520 M HA 0.758 5.238 4.480 0.001 0.000 0.289 520 M C -1.323 175.056 176.300 0.131 0.000 1.206 520 M CA -0.574 54.762 55.300 0.059 0.000 0.892 520 M CB 2.330 35.075 32.600 0.241 0.000 1.712 520 M HN 0.423 nan 8.290 nan 0.000 0.462 521 V N 0.411 120.336 119.914 0.019 0.000 2.851 521 V HA 0.867 4.988 4.120 0.001 0.000 0.307 521 V C -0.785 175.207 176.094 -0.170 0.000 1.129 521 V CA -0.503 61.787 62.300 -0.017 0.000 0.932 521 V CB 2.298 34.108 31.823 -0.021 0.000 1.024 521 V HN 0.941 nan 8.190 nan 0.000 0.426 522 T N 1.614 116.032 114.554 -0.227 0.000 2.893 522 T HA 0.360 4.711 4.350 0.001 0.000 0.337 522 T C -1.770 172.819 174.700 -0.184 0.000 1.587 522 T CA -0.572 61.357 62.100 -0.286 0.000 1.066 522 T CB 1.715 70.260 68.868 -0.537 0.000 1.414 522 T HN 0.719 nan 8.240 nan 0.000 0.488 523 D N 2.257 122.579 120.400 -0.130 0.000 2.414 523 D HA 0.316 4.957 4.640 0.001 0.000 0.242 523 D C 0.366 176.631 176.300 -0.058 0.000 1.129 523 D CA 0.090 54.048 54.000 -0.070 0.000 0.885 523 D CB 0.405 41.173 40.800 -0.053 0.000 1.198 523 D HN 0.432 nan 8.370 nan 0.000 0.437 524 L N 2.662 123.875 121.223 -0.016 0.000 2.559 524 L HA 0.444 4.784 4.340 0.001 0.000 0.274 524 L C -1.543 175.333 176.870 0.010 0.000 1.205 524 L CA 0.010 54.857 54.840 0.012 0.000 0.907 524 L CB -0.610 41.463 42.059 0.023 0.000 1.153 524 L HN 0.473 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