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 2c7c_1_N 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 0.000 177.568 177.584 -0.027 0.000 1.274 3 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 3 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 4 K N 0.672 121.058 120.400 -0.023 0.000 2.350 4 K HA 0.743 5.064 4.320 0.002 0.000 0.241 4 K C -1.151 175.439 176.600 -0.016 0.000 0.994 4 K CA -0.525 55.738 56.287 -0.040 0.000 0.839 4 K CB 1.982 34.459 32.500 -0.038 0.000 1.244 4 K HN 0.822 nan 8.250 nan 0.000 0.443 5 D N -0.333 120.052 120.400 -0.025 0.000 2.340 5 D HA 0.568 5.209 4.640 0.002 0.000 0.243 5 D C -1.308 175.028 176.300 0.060 0.000 0.988 5 D CA -0.692 53.341 54.000 0.055 0.000 0.959 5 D CB 1.544 42.427 40.800 0.138 0.000 1.226 5 D HN 0.092 nan 8.370 nan 0.000 0.509 6 V N 1.906 121.869 119.914 0.081 0.000 2.623 6 V HA 0.448 4.569 4.120 0.002 0.000 0.304 6 V C -0.289 175.672 176.094 -0.222 0.000 1.054 6 V CA -0.874 61.361 62.300 -0.110 0.000 0.882 6 V CB 1.801 33.475 31.823 -0.248 0.000 1.002 6 V HN 0.440 nan 8.190 nan 0.000 0.424 7 K N 3.334 123.553 120.400 -0.301 0.000 2.259 7 K HA 0.807 5.128 4.320 0.002 0.000 0.249 7 K C -1.577 174.702 176.600 -0.535 0.000 0.942 7 K CA -0.476 55.600 56.287 -0.351 0.000 0.816 7 K CB 2.269 34.541 32.500 -0.380 0.000 1.155 7 K HN 0.478 nan 8.250 nan 0.000 0.428 8 F N -0.273 119.663 119.950 -0.022 0.000 2.611 8 F HA 0.465 4.992 4.527 0.001 0.000 0.324 8 F C 1.154 176.941 175.800 -0.023 0.000 1.061 8 F CA -0.138 57.856 58.000 -0.009 0.000 0.954 8 F CB 1.577 40.575 39.000 -0.003 0.000 1.301 8 F HN 0.805 nan 8.300 nan 0.000 0.482 9 G N 1.624 110.534 108.800 0.183 0.000 2.611 9 G HA2 -0.452 3.509 3.960 0.002 0.000 0.301 9 G HA3 -0.452 3.509 3.960 0.002 0.000 0.301 9 G C 0.748 175.676 174.900 0.047 0.000 1.233 9 G CA 1.013 46.171 45.100 0.098 0.000 0.993 9 G HN 0.788 nan 8.290 nan 0.000 0.553 10 N N 0.150 118.868 118.700 0.030 0.000 2.409 10 N HA 0.045 4.786 4.740 0.002 0.000 0.179 10 N C 1.754 177.258 175.510 -0.012 0.000 1.032 10 N CA 1.531 54.586 53.050 0.008 0.000 0.898 10 N CB -0.108 38.382 38.487 0.005 0.000 0.971 10 N HN 0.550 nan 8.380 nan 0.000 0.441 11 D N -0.595 119.797 120.400 -0.014 0.000 2.117 11 D HA -0.030 4.611 4.640 0.002 0.000 0.198 11 D C 1.829 178.061 176.300 -0.114 0.000 0.982 11 D CA 1.205 55.170 54.000 -0.058 0.000 0.828 11 D CB -0.062 40.712 40.800 -0.045 0.000 0.967 11 D HN 0.317 nan 8.370 nan 0.000 0.464 12 A N 0.428 123.192 122.820 -0.093 0.000 1.883 12 A HA -0.203 4.118 4.320 0.002 0.000 0.217 12 A C 2.230 179.780 177.584 -0.057 0.000 1.186 12 A CA 1.444 53.419 52.037 -0.104 0.000 0.624 12 A CB -0.560 18.404 19.000 -0.060 0.000 0.822 12 A HN 0.188 nan 8.150 nan 0.000 0.444 13 R N -0.820 119.663 120.500 -0.028 0.000 2.096 13 R HA -0.082 4.259 4.340 0.002 0.000 0.235 13 R C 2.003 178.290 176.300 -0.022 0.000 1.127 13 R CA 1.368 57.459 56.100 -0.014 0.000 0.968 13 R CB -0.525 29.773 30.300 -0.003 0.000 0.861 13 R HN 0.402 nan 8.270 nan 0.000 0.440 14 V N 1.371 121.263 119.914 -0.037 0.000 2.407 14 V HA -0.242 3.879 4.120 0.002 0.000 0.248 14 V C 2.222 178.290 176.094 -0.043 0.000 1.055 14 V CA 1.611 63.888 62.300 -0.038 0.000 1.049 14 V CB -0.309 31.486 31.823 -0.047 0.000 0.662 14 V HN 0.215 nan 8.190 nan 0.000 0.455 15 K N -0.584 119.773 120.400 -0.071 0.000 2.062 15 K HA 0.013 4.334 4.320 0.002 0.000 0.205 15 K C 2.106 178.714 176.600 0.012 0.000 1.051 15 K CA 1.312 57.573 56.287 -0.044 0.000 0.941 15 K CB -0.420 32.008 32.500 -0.119 0.000 0.719 15 K HN 0.421 nan 8.250 nan 0.000 0.440 16 M N 0.425 120.032 119.600 0.011 0.000 2.108 16 M HA -0.202 4.279 4.480 0.002 0.000 0.261 16 M C 2.207 178.516 176.300 0.015 0.000 1.066 16 M CA 1.207 56.521 55.300 0.023 0.000 1.107 16 M CB -0.465 32.146 32.600 0.019 0.000 1.356 16 M HN 0.031 nan 8.290 nan 0.000 0.406 17 L N 0.727 121.953 121.223 0.006 0.000 1.971 17 L HA -0.225 4.116 4.340 0.002 0.000 0.215 17 L C 2.444 179.318 176.870 0.006 0.000 1.072 17 L CA 2.003 56.846 54.840 0.004 0.000 0.758 17 L CB -0.698 41.360 42.059 -0.001 0.000 0.889 17 L HN 0.168 nan 8.230 nan 0.000 0.433 18 R N -0.611 119.892 120.500 0.005 0.000 2.103 18 R HA -0.173 4.168 4.340 0.002 0.000 0.242 18 R C 2.182 178.491 176.300 0.015 0.000 1.142 18 R CA 1.353 57.458 56.100 0.009 0.000 0.960 18 R CB -1.105 29.201 30.300 0.009 0.000 0.858 18 R HN 0.647 nan 8.270 nan 0.000 0.439 19 G N 0.240 109.053 108.800 0.021 0.000 2.421 19 G HA2 -0.256 3.705 3.960 0.002 0.000 0.216 19 G HA3 -0.256 3.705 3.960 0.002 0.000 0.216 19 G C 1.396 176.304 174.900 0.015 0.000 1.171 19 G CA 0.774 45.888 45.100 0.023 0.000 0.775 19 G HN 0.279 nan 8.290 nan 0.000 0.543 20 V N 1.069 120.991 119.914 0.013 0.000 2.427 20 V HA -0.155 3.966 4.120 0.002 0.000 0.248 20 V C 2.399 178.497 176.094 0.008 0.000 1.051 20 V CA 2.569 64.875 62.300 0.010 0.000 1.048 20 V CB -0.649 31.180 31.823 0.011 0.000 0.666 20 V HN 0.503 nan 8.190 nan 0.000 0.456 21 N N -0.261 118.443 118.700 0.008 0.000 2.043 21 N HA -0.172 4.569 4.740 0.002 0.000 0.193 21 N C 1.720 177.233 175.510 0.005 0.000 1.037 21 N CA 1.754 54.807 53.050 0.006 0.000 0.851 21 N CB -0.290 38.200 38.487 0.005 0.000 1.027 21 N HN 0.403 nan 8.380 nan 0.000 0.422 22 V N 1.631 121.548 119.914 0.005 0.000 2.407 22 V HA -0.149 3.972 4.120 0.002 0.000 0.248 22 V C 2.153 178.248 176.094 0.002 0.000 1.055 22 V CA 1.057 63.359 62.300 0.004 0.000 1.049 22 V CB -0.536 31.291 31.823 0.005 0.000 0.662 22 V HN 0.403 nan 8.190 nan 0.000 0.455 23 L N 0.679 121.902 121.223 0.001 0.000 2.005 23 L HA -0.080 4.261 4.340 0.002 0.000 0.207 23 L C 2.548 179.417 176.870 -0.001 0.000 1.072 23 L CA 2.653 57.492 54.840 -0.002 0.000 0.744 23 L CB -1.271 40.786 42.059 -0.003 0.000 0.895 23 L HN 0.325 nan 8.230 nan 0.000 0.433 24 A N -0.342 122.478 122.820 0.001 0.000 1.877 24 A HA -0.243 4.078 4.320 0.002 0.000 0.216 24 A C 1.873 179.458 177.584 0.002 0.000 1.186 24 A CA 1.942 53.980 52.037 0.002 0.000 0.620 24 A CB -0.741 18.262 19.000 0.005 0.000 0.822 24 A HN 0.492 nan 8.150 nan 0.000 0.443 25 D N -0.576 119.825 120.400 0.002 0.000 2.312 25 D HA 0.155 4.796 4.640 0.002 0.000 0.211 25 D C 2.040 178.341 176.300 0.001 0.000 0.964 25 D CA 1.010 55.012 54.000 0.002 0.000 0.877 25 D CB -0.070 40.731 40.800 0.002 0.000 0.924 25 D HN 0.430 nan 8.370 nan 0.000 0.515 26 A N 0.034 122.854 122.820 -0.000 0.000 1.826 26 A HA -0.085 4.236 4.320 0.002 0.000 0.214 26 A C 2.285 179.868 177.584 -0.001 0.000 1.212 26 A CA 0.959 52.995 52.037 -0.002 0.000 0.605 26 A CB -0.984 18.014 19.000 -0.003 0.000 0.861 26 A HN 0.155 nan 8.150 nan 0.000 0.447 27 V N 1.695 121.608 119.914 -0.002 0.000 2.626 27 V HA -0.242 3.879 4.120 0.002 0.000 0.252 27 V C 2.561 178.655 176.094 -0.000 0.000 1.067 27 V CA 2.577 64.876 62.300 -0.002 0.000 1.081 27 V CB -0.759 31.061 31.823 -0.005 0.000 0.686 27 V HN 0.817 nan 8.190 nan 0.000 0.468 28 K N 0.634 121.035 120.400 0.002 0.000 2.211 28 K HA -0.138 4.183 4.320 0.002 0.000 0.204 28 K C 1.772 178.375 176.600 0.004 0.000 1.047 28 K CA 1.993 58.283 56.287 0.004 0.000 0.935 28 K CB -0.921 31.582 32.500 0.005 0.000 0.728 28 K HN 0.535 nan 8.250 nan 0.000 0.452 29 V N 0.337 120.252 119.914 0.003 0.000 3.141 29 V HA -0.102 4.019 4.120 0.002 0.000 0.265 29 V C 2.119 178.215 176.094 0.003 0.000 1.126 29 V CA 1.644 63.946 62.300 0.003 0.000 1.141 29 V CB -0.912 30.912 31.823 0.002 0.000 0.743 29 V HN 0.558 nan 8.190 nan 0.000 0.492 30 T N -2.433 112.122 114.554 0.002 0.000 3.067 30 T HA 0.060 4.411 4.350 0.002 0.000 0.261 30 T C 1.678 176.378 174.700 0.001 0.000 1.110 30 T CA 1.016 63.117 62.100 0.000 0.000 1.113 30 T CB -0.109 68.758 68.868 -0.001 0.000 0.917 30 T HN 0.411 nan 8.240 nan 0.000 0.499 31 L N 2.145 123.369 121.223 0.003 0.000 2.275 31 L HA 0.364 4.705 4.340 0.002 0.000 0.215 31 L C 1.308 178.179 176.870 0.003 0.000 1.119 31 L CA 0.479 55.322 54.840 0.004 0.000 0.790 31 L CB -0.948 41.116 42.059 0.007 0.000 0.919 31 L HN 0.425 nan 8.230 nan 0.000 0.443 32 G N -1.255 107.547 108.800 0.003 0.000 2.420 32 G HA2 0.371 4.332 3.960 0.002 0.000 0.284 32 G HA3 0.371 4.332 3.960 0.002 0.000 0.284 32 G C -1.781 173.114 174.900 -0.009 0.000 1.177 32 G CA -0.611 44.490 45.100 0.001 0.000 0.841 32 G HN 0.111 nan 8.290 nan 0.000 0.527 33 P HA -0.062 nan 4.420 nan 0.000 0.215 33 P C 0.766 178.051 177.300 -0.024 0.000 1.157 33 P CA 1.121 64.204 63.100 -0.028 0.000 0.863 33 P CB 0.341 32.013 31.700 -0.047 0.000 0.787 34 K N 0.725 121.111 120.400 -0.024 0.000 3.100 34 K HA 0.283 4.605 4.320 0.002 0.000 0.256 34 K C 1.148 177.744 176.600 -0.006 0.000 1.146 34 K CA -0.348 55.929 56.287 -0.016 0.000 1.233 34 K CB -0.127 32.361 32.500 -0.019 0.000 1.226 34 K HN 0.114 nan 8.250 nan 0.000 0.442 35 G N 0.864 109.661 108.800 -0.005 0.000 2.588 35 G HA2 0.174 4.135 3.960 0.002 0.000 0.278 35 G HA3 0.174 4.135 3.960 0.002 0.000 0.278 35 G C -0.002 174.898 174.900 -0.000 0.000 1.307 35 G CA -0.659 44.441 45.100 -0.000 0.000 1.016 35 G HN 0.161 nan 8.290 nan 0.000 0.503 36 R N 0.139 120.640 120.500 0.001 0.000 2.532 36 R HA 0.245 4.586 4.340 0.002 0.000 0.272 36 R C 0.184 176.484 176.300 -0.000 0.000 1.032 36 R CA -0.661 55.440 56.100 0.001 0.000 1.089 36 R CB 0.348 30.649 30.300 0.002 0.000 1.098 36 R HN 0.650 nan 8.270 nan 0.000 0.526 37 N N 0.328 119.028 118.700 -0.000 0.000 2.493 37 N HA 0.309 5.050 4.740 0.002 0.000 0.275 37 N C -0.463 175.047 175.510 -0.001 0.000 1.186 37 N CA -0.453 52.597 53.050 -0.001 0.000 0.978 37 N CB 1.333 39.819 38.487 -0.001 0.000 1.184 37 N HN 0.089 nan 8.380 nan 0.000 0.487 38 V N 0.824 120.737 119.914 -0.002 0.000 2.823 38 V HA 0.306 4.427 4.120 0.002 0.000 0.312 38 V C -0.133 175.959 176.094 -0.003 0.000 1.072 38 V CA -0.907 61.392 62.300 -0.003 0.000 0.937 38 V CB 2.244 34.065 31.823 -0.003 0.000 1.013 38 V HN 0.371 nan 8.190 nan 0.000 0.430 39 V N 5.265 125.177 119.914 -0.004 0.000 2.350 39 V HA 0.427 4.548 4.120 0.002 0.000 0.276 39 V C -0.484 175.606 176.094 -0.008 0.000 1.028 39 V CA -0.556 61.741 62.300 -0.005 0.000 0.860 39 V CB 1.299 33.119 31.823 -0.005 0.000 0.990 39 V HN 0.484 nan 8.190 nan 0.000 0.453 40 L N 3.697 124.914 121.223 -0.009 0.000 2.282 40 L HA 0.478 4.819 4.340 0.002 0.000 0.288 40 L C 0.190 177.050 176.870 -0.017 0.000 1.033 40 L CA -0.212 54.620 54.840 -0.013 0.000 0.807 40 L CB 1.108 43.160 42.059 -0.011 0.000 1.209 40 L HN 0.663 nan 8.230 nan 0.000 0.423 41 D N 3.150 123.536 120.400 -0.025 0.000 2.390 41 D HA 0.133 4.774 4.640 0.002 0.000 0.236 41 D C -0.291 175.982 176.300 -0.045 0.000 1.189 41 D CA 0.636 54.615 54.000 -0.035 0.000 0.887 41 D CB 0.762 41.536 40.800 -0.043 0.000 1.198 41 D HN 0.474 nan 8.370 nan 0.000 0.444 42 K N 0.692 121.057 120.400 -0.058 0.000 2.707 42 K HA 0.183 4.504 4.320 0.002 0.000 0.283 42 K C -0.160 176.367 176.600 -0.122 0.000 1.105 42 K CA -0.325 55.916 56.287 -0.077 0.000 1.018 42 K CB 0.616 33.104 32.500 -0.020 0.000 1.315 42 K HN 0.257 nan 8.250 nan 0.000 0.495 43 S N 2.867 118.406 115.700 -0.267 0.000 2.547 43 S HA 0.049 4.520 4.470 0.002 0.000 0.235 43 S C 0.043 174.430 174.600 -0.354 0.000 0.980 43 S CA 0.517 58.506 58.200 -0.352 0.000 0.941 43 S CB -0.310 62.591 63.200 -0.497 0.000 0.763 43 S HN 0.391 nan 8.310 nan 0.000 0.532 44 F N 0.720 120.670 119.950 -0.001 0.000 2.449 44 F HA 0.593 5.121 4.527 0.002 0.000 0.342 44 F C 1.284 177.083 175.800 -0.001 0.000 1.127 44 F CA -0.460 57.540 58.000 -0.001 0.000 0.975 44 F CB 1.511 40.511 39.000 -0.001 0.000 1.146 44 F HN 0.202 nan 8.300 nan 0.000 0.444 45 G N 2.320 111.226 108.800 0.176 0.000 2.779 45 G HA2 0.026 3.987 3.960 0.002 0.000 0.284 45 G HA3 0.026 3.987 3.960 0.002 0.000 0.284 45 G C -0.584 174.350 174.900 0.058 0.000 1.326 45 G CA -0.097 45.060 45.100 0.096 0.000 0.983 45 G HN 1.363 nan 8.290 nan 0.000 0.555 46 A N 0.935 123.781 122.820 0.043 0.000 2.572 46 A HA 0.860 5.181 4.320 0.002 0.000 0.295 46 A C -2.761 174.831 177.584 0.014 0.000 1.072 46 A CA -0.086 51.965 52.037 0.023 0.000 0.691 46 A CB 1.685 20.697 19.000 0.020 0.000 1.291 46 A HN 0.960 nan 8.150 nan 0.000 0.404 47 P HA 0.285 nan 4.420 nan 0.000 0.274 47 P C -0.406 176.895 177.300 0.002 0.000 1.231 47 P CA 0.154 63.252 63.100 -0.003 0.000 0.790 47 P CB 0.498 32.194 31.700 -0.008 0.000 0.951 48 T N 3.239 117.793 114.554 -0.000 0.000 2.992 48 T HA 0.307 4.658 4.350 0.002 0.000 0.299 48 T C 0.679 175.379 174.700 -0.000 0.000 1.027 48 T CA -0.216 61.885 62.100 0.002 0.000 1.001 48 T CB -0.870 68.000 68.868 0.002 0.000 1.005 48 T HN 0.222 nan 8.240 nan 0.000 0.599 49 I N 3.159 123.729 120.570 0.001 0.000 2.436 49 I HA 0.279 4.450 4.170 0.002 0.000 0.289 49 I C 0.906 177.023 176.117 0.000 0.000 1.083 49 I CA 0.056 61.356 61.300 -0.000 0.000 1.372 49 I CB 0.392 38.392 38.000 0.000 0.000 1.408 49 I HN 0.425 nan 8.210 nan 0.000 0.516 50 T N 4.799 119.353 114.554 -0.001 0.000 2.868 50 T HA 0.348 4.700 4.350 0.002 0.000 0.306 50 T C 0.268 174.967 174.700 -0.001 0.000 1.224 50 T CA -0.732 61.368 62.100 -0.001 0.000 1.012 50 T CB 1.630 70.498 68.868 -0.000 0.000 1.221 50 T HN 0.633 nan 8.240 nan 0.000 0.499 51 K N 1.051 121.450 120.400 -0.002 0.000 2.358 51 K HA 0.183 4.504 4.320 0.002 0.000 0.197 51 K C -0.294 176.304 176.600 -0.002 0.000 1.025 51 K CA -0.183 56.103 56.287 -0.002 0.000 1.104 51 K CB 0.332 32.830 32.500 -0.003 0.000 0.855 51 K HN 0.510 nan 8.250 nan 0.000 0.531 52 D N -0.243 120.155 120.400 -0.002 0.000 2.277 52 D HA 0.086 4.727 4.640 0.002 0.000 0.249 52 D C 1.116 177.414 176.300 -0.004 0.000 1.134 52 D CA -0.318 53.681 54.000 -0.002 0.000 0.863 52 D CB 1.500 42.299 40.800 -0.001 0.000 1.143 52 D HN 0.076 nan 8.370 nan 0.000 0.458 53 G N 2.286 111.083 108.800 -0.004 0.000 2.484 53 G HA2 -0.142 3.819 3.960 0.002 0.000 0.218 53 G HA3 -0.142 3.819 3.960 0.002 0.000 0.218 53 G C 1.357 176.252 174.900 -0.010 0.000 1.130 53 G CA 0.515 45.611 45.100 -0.006 0.000 0.784 53 G HN 0.469 nan 8.290 nan 0.000 0.543 54 V N 1.152 121.060 119.914 -0.010 0.000 2.307 54 V HA -0.155 3.966 4.120 0.002 0.000 0.245 54 V C 3.053 179.139 176.094 -0.013 0.000 1.045 54 V CA 2.202 64.494 62.300 -0.014 0.000 1.024 54 V CB -0.503 31.312 31.823 -0.013 0.000 0.651 54 V HN 0.349 nan 8.190 nan 0.000 0.449 55 S N -0.075 115.620 115.700 -0.008 0.000 2.368 55 S HA -0.139 4.332 4.470 0.002 0.000 0.224 55 S C 2.056 176.650 174.600 -0.009 0.000 1.029 55 S CA 1.314 59.510 58.200 -0.007 0.000 0.988 55 S CB -0.205 62.993 63.200 -0.003 0.000 0.838 55 S HN 0.352 nan 8.310 nan 0.000 0.462 56 V N 2.192 122.102 119.914 -0.008 0.000 2.332 56 V HA -0.253 3.868 4.120 0.002 0.000 0.248 56 V C 2.660 178.748 176.094 -0.011 0.000 1.055 56 V CA 1.836 64.131 62.300 -0.008 0.000 1.038 56 V CB -1.220 30.599 31.823 -0.007 0.000 0.651 56 V HN 0.550 nan 8.190 nan 0.000 0.450 57 A N -0.319 122.493 122.820 -0.013 0.000 1.855 57 A HA -0.237 4.085 4.320 0.002 0.000 0.215 57 A C 2.414 179.988 177.584 -0.017 0.000 1.191 57 A CA 1.950 53.977 52.037 -0.016 0.000 0.613 57 A CB -0.597 18.391 19.000 -0.021 0.000 0.829 57 A HN 0.446 nan 8.150 nan 0.000 0.442 58 R N -0.699 119.791 120.500 -0.017 0.000 2.105 58 R HA -0.181 4.160 4.340 0.002 0.000 0.239 58 R C 1.871 178.162 176.300 -0.015 0.000 1.135 58 R CA 1.801 57.890 56.100 -0.018 0.000 0.967 58 R CB -0.130 30.161 30.300 -0.016 0.000 0.861 58 R HN 0.492 nan 8.270 nan 0.000 0.442 59 E N 0.045 120.237 120.200 -0.014 0.000 2.481 59 E HA 0.030 4.381 4.350 0.002 0.000 0.195 59 E C -0.167 176.423 176.600 -0.016 0.000 1.047 59 E CA 0.090 56.481 56.400 -0.015 0.000 0.867 59 E CB 0.159 29.850 29.700 -0.014 0.000 0.858 59 E HN 0.155 nan 8.360 nan 0.000 0.513 60 I N 2.126 122.687 120.570 -0.015 0.000 2.533 60 I HA 0.121 4.292 4.170 0.002 0.000 0.284 60 I C 0.197 176.306 176.117 -0.014 0.000 1.109 60 I CA 0.487 61.779 61.300 -0.014 0.000 1.412 60 I CB 0.523 38.516 38.000 -0.011 0.000 1.396 60 I HN 0.137 nan 8.210 nan 0.000 0.543 61 E N 7.572 127.763 120.200 -0.015 0.000 2.287 61 E HA 0.434 4.785 4.350 0.002 0.000 0.274 61 E C -1.671 174.921 176.600 -0.012 0.000 0.896 61 E CA -0.554 55.837 56.400 -0.015 0.000 0.788 61 E CB 1.829 31.518 29.700 -0.019 0.000 1.244 61 E HN 0.455 nan 8.360 nan 0.000 0.408 62 L N 3.021 124.239 121.223 -0.008 0.000 2.387 62 L HA 0.384 4.725 4.340 0.002 0.000 0.266 62 L C 1.644 178.512 176.870 -0.004 0.000 1.059 62 L CA -0.500 54.339 54.840 -0.002 0.000 0.801 62 L CB 1.239 43.302 42.059 0.007 0.000 1.223 62 L HN 0.721 nan 8.230 nan 0.000 0.456 63 E N 0.694 120.895 120.200 0.001 0.000 2.016 63 E HA -0.164 4.187 4.350 0.002 0.000 0.190 63 E C 0.097 176.702 176.600 0.008 0.000 0.985 63 E CA 0.612 57.013 56.400 0.001 0.000 0.802 63 E CB 0.199 29.902 29.700 0.004 0.000 0.762 63 E HN 0.739 nan 8.360 nan 0.000 0.448 64 D N 0.202 120.620 120.400 0.030 0.000 2.412 64 D HA -0.033 4.608 4.640 0.002 0.000 0.257 64 D C 0.661 176.991 176.300 0.050 0.000 1.217 64 D CA 0.238 54.275 54.000 0.062 0.000 0.897 64 D CB 0.806 41.666 40.800 0.101 0.000 1.132 64 D HN 0.013 nan 8.370 nan 0.000 0.493 65 K N 2.728 123.120 120.400 -0.013 0.000 2.211 65 K HA -0.104 4.217 4.320 0.002 0.000 0.203 65 K C 1.289 177.822 176.600 -0.112 0.000 1.050 65 K CA 0.878 57.096 56.287 -0.115 0.000 0.945 65 K CB -0.007 32.354 32.500 -0.232 0.000 0.732 65 K HN 0.528 nan 8.250 nan 0.000 0.451 66 F N 1.521 121.457 119.950 -0.024 0.000 2.163 66 F HA -0.083 4.445 4.527 0.001 0.000 0.297 66 F C 2.123 177.911 175.800 -0.022 0.000 1.094 66 F CA 1.026 59.009 58.000 -0.027 0.000 1.290 66 F CB -0.242 38.740 39.000 -0.030 0.000 1.017 66 F HN 0.028 nan 8.300 nan 0.000 0.483 67 E N 0.018 120.328 120.200 0.184 0.000 2.072 67 E HA -0.216 4.135 4.350 0.002 0.000 0.191 67 E C 1.791 178.422 176.600 0.052 0.000 0.985 67 E CA 1.158 57.612 56.400 0.091 0.000 0.801 67 E CB -0.341 29.400 29.700 0.068 0.000 0.750 67 E HN 0.243 nan 8.360 nan 0.000 0.452 68 N N 0.910 119.631 118.700 0.035 0.000 2.166 68 N HA -0.129 4.612 4.740 0.002 0.000 0.186 68 N C 1.724 177.234 175.510 -0.000 0.000 1.019 68 N CA 1.137 54.191 53.050 0.007 0.000 0.856 68 N CB -0.030 38.451 38.487 -0.011 0.000 0.993 68 N HN 0.098 nan 8.380 nan 0.000 0.426 69 M N -0.553 119.047 119.600 0.000 0.000 2.073 69 M HA -0.119 4.362 4.480 0.002 0.000 0.258 69 M C 2.119 178.426 176.300 0.012 0.000 1.070 69 M CA 1.927 57.226 55.300 -0.002 0.000 1.103 69 M CB -0.816 31.784 32.600 -0.000 0.000 1.321 69 M HN 0.302 nan 8.290 nan 0.000 0.405 70 G N -0.380 108.438 108.800 0.030 0.000 2.446 70 G HA2 -0.166 3.795 3.960 0.002 0.000 0.217 70 G HA3 -0.166 3.795 3.960 0.002 0.000 0.217 70 G C 1.575 176.482 174.900 0.012 0.000 1.168 70 G CA 1.092 46.206 45.100 0.024 0.000 0.771 70 G HN 0.567 nan 8.290 nan 0.000 0.551 71 A N -0.020 122.806 122.820 0.010 0.000 1.883 71 A HA -0.107 4.214 4.320 0.002 0.000 0.217 71 A C 2.397 179.977 177.584 -0.007 0.000 1.186 71 A CA 1.999 54.036 52.037 0.001 0.000 0.624 71 A CB -0.411 18.590 19.000 0.001 0.000 0.822 71 A HN 0.339 nan 8.150 nan 0.000 0.444 72 Q N -0.854 118.941 119.800 -0.009 0.000 2.084 72 Q HA -0.139 4.202 4.340 0.002 0.000 0.202 72 Q C 2.210 178.199 176.000 -0.018 0.000 0.978 72 Q CA 1.677 57.470 55.803 -0.016 0.000 0.844 72 Q CB -0.402 28.325 28.738 -0.018 0.000 0.898 72 Q HN 0.794 nan 8.270 nan 0.000 0.426 73 M N -0.359 119.235 119.600 -0.011 0.000 2.065 73 M HA -0.177 4.304 4.480 0.002 0.000 0.259 73 M C 2.332 178.623 176.300 -0.016 0.000 1.069 73 M CA 1.307 56.601 55.300 -0.010 0.000 1.110 73 M CB -0.455 32.146 32.600 0.002 0.000 1.328 73 M HN -0.043 nan 8.290 nan 0.000 0.405 74 V N 0.395 120.302 119.914 -0.012 0.000 2.343 74 V HA -0.269 3.852 4.120 0.002 0.000 0.247 74 V C 2.223 178.297 176.094 -0.032 0.000 1.051 74 V CA 1.799 64.090 62.300 -0.015 0.000 1.036 74 V CB -0.712 31.107 31.823 -0.006 0.000 0.654 74 V HN 0.432 nan 8.190 nan 0.000 0.451 75 K N -0.240 120.141 120.400 -0.031 0.000 2.032 75 K HA -0.238 4.083 4.320 0.002 0.000 0.209 75 K C 2.335 178.900 176.600 -0.059 0.000 1.048 75 K CA 1.807 58.070 56.287 -0.040 0.000 0.927 75 K CB -0.245 32.236 32.500 -0.031 0.000 0.712 75 K HN 0.446 nan 8.250 nan 0.000 0.441 76 E N 0.822 120.988 120.200 -0.056 0.000 2.047 76 E HA -0.149 4.202 4.350 0.002 0.000 0.191 76 E C 1.958 178.491 176.600 -0.112 0.000 0.987 76 E CA 1.192 57.550 56.400 -0.070 0.000 0.799 76 E CB 0.165 29.836 29.700 -0.049 0.000 0.752 76 E HN 0.058 nan 8.360 nan 0.000 0.449 77 V N 1.329 121.175 119.914 -0.113 0.000 2.515 77 V HA -0.178 3.943 4.120 0.002 0.000 0.250 77 V C 2.514 178.421 176.094 -0.312 0.000 1.058 77 V CA 1.481 63.663 62.300 -0.198 0.000 1.064 77 V CB -0.689 31.085 31.823 -0.082 0.000 0.675 77 V HN 0.323 nan 8.190 nan 0.000 0.461 78 A N -0.821 121.889 122.820 -0.183 0.000 1.969 78 A HA -0.186 4.135 4.320 0.002 0.000 0.218 78 A C 2.523 180.001 177.584 -0.177 0.000 1.169 78 A CA 1.970 53.909 52.037 -0.164 0.000 0.635 78 A CB -0.570 18.381 19.000 -0.083 0.000 0.810 78 A HN 0.443 nan 8.150 nan 0.000 0.445 79 S N -0.489 115.116 115.700 -0.157 0.000 2.368 79 S HA -0.137 4.335 4.470 0.002 0.000 0.224 79 S C 1.957 176.444 174.600 -0.188 0.000 1.029 79 S CA 1.603 59.720 58.200 -0.137 0.000 0.988 79 S CB -0.258 62.883 63.200 -0.099 0.000 0.838 79 S HN 0.614 nan 8.310 nan 0.000 0.462 80 K N 0.816 121.051 120.400 -0.274 0.000 2.281 80 K HA -0.063 4.258 4.320 0.002 0.000 0.203 80 K C 2.103 178.430 176.600 -0.456 0.000 1.046 80 K CA 1.063 57.146 56.287 -0.340 0.000 0.938 80 K CB -0.220 32.042 32.500 -0.397 0.000 0.737 80 K HN 0.402 nan 8.250 nan 0.000 0.458 81 A N 1.639 124.120 122.820 -0.565 0.000 1.843 81 A HA -0.157 4.164 4.320 0.002 0.000 0.213 81 A C 2.001 179.536 177.584 -0.082 0.000 1.202 81 A CA 1.306 53.198 52.037 -0.241 0.000 0.607 81 A CB -0.655 18.242 19.000 -0.172 0.000 0.847 81 A HN 0.300 nan 8.150 nan 0.000 0.445 82 N N -0.042 118.601 118.700 -0.096 0.000 2.166 82 N HA -0.172 4.569 4.740 0.002 0.000 0.186 82 N C 0.671 176.149 175.510 -0.054 0.000 1.019 82 N CA 1.475 54.492 53.050 -0.055 0.000 0.856 82 N CB -0.269 38.184 38.487 -0.056 0.000 0.993 82 N HN 0.373 nan 8.380 nan 0.000 0.426 83 D N -0.119 120.239 120.400 -0.070 0.000 2.350 83 D HA -0.036 4.605 4.640 0.002 0.000 0.216 83 D C 0.984 177.253 176.300 -0.052 0.000 0.968 83 D CA 0.429 54.388 54.000 -0.068 0.000 0.894 83 D CB 0.227 40.983 40.800 -0.073 0.000 0.909 83 D HN 0.404 nan 8.370 nan 0.000 0.520 84 A N -0.412 122.393 122.820 -0.024 0.000 2.419 84 A HA 0.519 4.840 4.320 0.002 0.000 0.233 84 A C 1.718 179.311 177.584 0.015 0.000 1.217 84 A CA 0.547 52.586 52.037 0.004 0.000 0.944 84 A CB 0.713 19.741 19.000 0.046 0.000 1.025 84 A HN 0.136 nan 8.150 nan 0.000 0.524 85 A N -1.798 121.028 122.820 0.010 0.000 2.070 85 A HA 0.465 4.786 4.320 0.002 0.000 0.202 85 A C 1.796 179.389 177.584 0.016 0.000 1.277 85 A CA 1.160 53.210 52.037 0.022 0.000 0.872 85 A CB -0.387 18.633 19.000 0.033 0.000 0.933 85 A HN 1.759 nan 8.150 nan 0.000 0.475 86 G N -0.746 108.054 108.800 -0.000 0.000 2.153 86 G HA2 -0.226 3.735 3.960 0.002 0.000 0.252 86 G HA3 -0.226 3.735 3.960 0.002 0.000 0.252 86 G C -0.080 174.830 174.900 0.017 0.000 0.994 86 G CA 1.138 46.244 45.100 0.010 0.000 0.698 86 G HN 0.778 nan 8.290 nan 0.000 0.521 87 D N -4.285 116.121 120.400 0.010 0.000 3.213 87 D HA 0.499 5.140 4.640 0.002 0.000 0.357 87 D C 1.228 177.533 176.300 0.008 0.000 1.446 87 D CA 1.018 55.024 54.000 0.011 0.000 0.893 87 D CB -0.471 40.339 40.800 0.017 0.000 1.466 87 D HN 1.291 nan 8.370 nan 0.000 0.541 88 G N -1.094 107.713 108.800 0.012 0.000 2.245 88 G HA2 -0.359 3.602 3.960 0.002 0.000 0.264 88 G HA3 -0.359 3.602 3.960 0.002 0.000 0.264 88 G C 1.110 176.016 174.900 0.011 0.000 0.985 88 G CA 1.518 46.629 45.100 0.018 0.000 0.625 88 G HN 0.506 nan 8.290 nan 0.000 0.536 89 T N 0.887 115.440 114.554 -0.002 0.000 2.597 89 T HA -0.185 4.166 4.350 0.002 0.000 0.267 89 T C 2.415 177.111 174.700 -0.007 0.000 1.053 89 T CA 2.555 64.646 62.100 -0.015 0.000 1.165 89 T CB -0.842 68.013 68.868 -0.021 0.000 0.863 89 T HN 0.494 nan 8.240 nan 0.000 0.427 90 T N 2.004 116.557 114.554 -0.002 0.000 2.788 90 T HA -0.107 4.244 4.350 0.002 0.000 0.268 90 T C 2.321 177.026 174.700 0.009 0.000 1.044 90 T CA 1.648 63.749 62.100 0.002 0.000 1.139 90 T CB -0.820 68.049 68.868 0.002 0.000 0.867 90 T HN 0.486 nan 8.240 nan 0.000 0.454 91 T N 2.254 116.815 114.554 0.013 0.000 2.684 91 T HA -0.090 4.261 4.350 0.002 0.000 0.267 91 T C 2.439 177.156 174.700 0.027 0.000 1.036 91 T CA 1.222 63.334 62.100 0.020 0.000 1.148 91 T CB -0.647 68.235 68.868 0.023 0.000 0.863 91 T HN 0.456 nan 8.240 nan 0.000 0.436 92 A N 1.619 124.459 122.820 0.032 0.000 1.883 92 A HA -0.155 4.166 4.320 0.002 0.000 0.217 92 A C 2.600 180.205 177.584 0.034 0.000 1.186 92 A CA 2.218 54.283 52.037 0.046 0.000 0.624 92 A CB -1.362 17.669 19.000 0.052 0.000 0.822 92 A HN 0.501 nan 8.150 nan 0.000 0.444 93 T N -0.508 114.056 114.554 0.018 0.000 2.777 93 T HA -0.090 4.261 4.350 0.002 0.000 0.266 93 T C 1.858 176.567 174.700 0.015 0.000 1.040 93 T CA 1.433 63.541 62.100 0.013 0.000 1.141 93 T CB -0.408 68.462 68.868 0.003 0.000 0.868 93 T HN 0.138 nan 8.240 nan 0.000 0.444 94 V N 1.433 121.356 119.914 0.015 0.000 2.343 94 V HA -0.104 4.017 4.120 0.002 0.000 0.247 94 V C 2.474 178.578 176.094 0.017 0.000 1.051 94 V CA 1.423 63.731 62.300 0.015 0.000 1.036 94 V CB -0.626 31.205 31.823 0.014 0.000 0.654 94 V HN 0.425 nan 8.190 nan 0.000 0.451 95 L N -0.166 121.071 121.223 0.022 0.000 2.017 95 L HA -0.152 4.189 4.340 0.002 0.000 0.208 95 L C 2.756 179.641 176.870 0.024 0.000 1.073 95 L CA 1.578 56.432 54.840 0.024 0.000 0.745 95 L CB -0.834 41.242 42.059 0.029 0.000 0.894 95 L HN 0.358 nan 8.230 nan 0.000 0.432 96 A N -0.283 122.554 122.820 0.028 0.000 1.865 96 A HA -0.334 3.987 4.320 0.002 0.000 0.217 96 A C 2.249 179.846 177.584 0.020 0.000 1.191 96 A CA 2.221 54.275 52.037 0.028 0.000 0.623 96 A CB -0.751 18.267 19.000 0.031 0.000 0.826 96 A HN 0.506 nan 8.150 nan 0.000 0.444 97 Q N -0.703 119.107 119.800 0.017 0.000 2.084 97 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 97 Q C 2.121 178.128 176.000 0.012 0.000 0.978 97 Q CA 1.802 57.613 55.803 0.013 0.000 0.844 97 Q CB -0.386 28.359 28.738 0.011 0.000 0.898 97 Q HN 0.596 nan 8.270 nan 0.000 0.426 98 A N 0.383 123.211 122.820 0.013 0.000 1.972 98 A HA -0.135 4.186 4.320 0.002 0.000 0.219 98 A C 1.931 179.522 177.584 0.012 0.000 1.169 98 A CA 1.223 53.267 52.037 0.012 0.000 0.635 98 A CB -0.546 18.462 19.000 0.013 0.000 0.810 98 A HN 0.500 nan 8.150 nan 0.000 0.446 99 I N -0.659 119.919 120.570 0.014 0.000 2.193 99 I HA -0.204 3.967 4.170 0.002 0.000 0.240 99 I C 2.265 178.389 176.117 0.012 0.000 1.084 99 I CA 1.204 62.512 61.300 0.013 0.000 1.365 99 I CB -0.329 37.680 38.000 0.015 0.000 1.064 99 I HN 0.243 nan 8.210 nan 0.000 0.410 100 I N 0.580 121.157 120.570 0.013 0.000 2.264 100 I HA -0.294 3.878 4.170 0.002 0.000 0.248 100 I C 2.467 178.589 176.117 0.009 0.000 1.111 100 I CA 1.537 62.844 61.300 0.011 0.000 1.382 100 I CB -0.511 37.497 38.000 0.013 0.000 1.060 100 I HN 0.269 nan 8.210 nan 0.000 0.418 101 T N 0.136 114.695 114.554 0.008 0.000 2.803 101 T HA -0.160 4.191 4.350 0.002 0.000 0.269 101 T C 1.677 176.380 174.700 0.005 0.000 1.052 101 T CA 1.245 63.349 62.100 0.006 0.000 1.136 101 T CB -0.108 68.764 68.868 0.006 0.000 0.864 101 T HN 0.365 nan 8.240 nan 0.000 0.467 102 E N 0.123 120.327 120.200 0.006 0.000 2.201 102 E HA 0.157 4.508 4.350 0.002 0.000 0.193 102 E C 2.548 179.152 176.600 0.006 0.000 0.957 102 E CA 0.634 57.038 56.400 0.006 0.000 0.858 102 E CB -0.609 29.095 29.700 0.006 0.000 0.816 102 E HN 0.515 nan 8.360 nan 0.000 0.475 103 G N 1.209 110.014 108.800 0.007 0.000 2.396 103 G HA2 -0.145 3.816 3.960 0.002 0.000 0.214 103 G HA3 -0.145 3.816 3.960 0.002 0.000 0.214 103 G C 1.562 176.467 174.900 0.007 0.000 1.166 103 G CA 0.258 45.363 45.100 0.007 0.000 0.793 103 G HN 0.085 nan 8.290 nan 0.000 0.533 104 L N 0.691 121.918 121.223 0.007 0.000 2.156 104 L HA 0.129 4.470 4.340 0.002 0.000 0.208 104 L C 2.621 179.493 176.870 0.004 0.000 1.095 104 L CA 1.428 56.271 54.840 0.006 0.000 0.770 104 L CB -0.400 41.662 42.059 0.005 0.000 0.914 104 L HN 0.208 nan 8.230 nan 0.000 0.439 105 K N -0.068 120.334 120.400 0.003 0.000 2.032 105 K HA -0.227 4.094 4.320 0.002 0.000 0.209 105 K C 2.067 178.668 176.600 0.003 0.000 1.048 105 K CA 1.606 57.895 56.287 0.002 0.000 0.927 105 K CB -0.119 32.383 32.500 0.003 0.000 0.712 105 K HN 0.270 nan 8.250 nan 0.000 0.441 106 A N 0.806 123.628 122.820 0.004 0.000 1.877 106 A HA -0.125 4.197 4.320 0.002 0.000 0.216 106 A C 2.259 179.846 177.584 0.004 0.000 1.186 106 A CA 1.666 53.705 52.037 0.004 0.000 0.620 106 A CB -0.814 18.189 19.000 0.004 0.000 0.822 106 A HN 0.250 nan 8.150 nan 0.000 0.443 107 V N -0.350 119.567 119.914 0.005 0.000 2.626 107 V HA -0.114 4.007 4.120 0.002 0.000 0.252 107 V C 2.780 178.878 176.094 0.006 0.000 1.067 107 V CA 1.902 64.206 62.300 0.006 0.000 1.081 107 V CB -0.533 31.295 31.823 0.008 0.000 0.686 107 V HN 0.599 nan 8.190 nan 0.000 0.468 108 A N -0.233 122.589 122.820 0.004 0.000 1.929 108 A HA 0.068 4.389 4.320 0.002 0.000 0.216 108 A C 2.213 179.798 177.584 0.002 0.000 1.176 108 A CA 1.471 53.509 52.037 0.003 0.000 0.628 108 A CB -0.673 18.328 19.000 0.001 0.000 0.816 108 A HN 0.721 nan 8.150 nan 0.000 0.444 109 A N -1.512 121.309 122.820 0.002 0.000 2.255 109 A HA 0.388 4.709 4.320 0.002 0.000 0.206 109 A C 1.726 179.311 177.584 0.002 0.000 1.193 109 A CA 1.240 53.278 52.037 0.001 0.000 0.794 109 A CB -1.150 17.851 19.000 0.001 0.000 0.794 109 A HN 1.873 nan 8.150 nan 0.000 0.481 110 G N -1.926 106.875 108.800 0.003 0.000 2.175 110 G HA2 -0.252 3.709 3.960 0.002 0.000 0.244 110 G HA3 -0.252 3.709 3.960 0.002 0.000 0.244 110 G C 0.191 175.093 174.900 0.003 0.000 0.982 110 G CA 0.231 45.333 45.100 0.003 0.000 0.641 110 G HN 0.410 nan 8.290 nan 0.000 0.527 111 M N 0.969 120.571 119.600 0.004 0.000 2.239 111 M HA 0.194 4.675 4.480 0.002 0.000 0.348 111 M C 0.801 177.104 176.300 0.005 0.000 1.239 111 M CA -0.429 54.873 55.300 0.004 0.000 1.114 111 M CB 0.403 33.005 32.600 0.004 0.000 1.641 111 M HN 0.234 nan 8.290 nan 0.000 0.453 112 N N 4.845 123.548 118.700 0.005 0.000 2.440 112 N HA 0.054 4.795 4.740 0.002 0.000 0.265 112 N C -2.020 173.494 175.510 0.007 0.000 1.239 112 N CA -1.429 51.624 53.050 0.006 0.000 0.909 112 N CB 0.774 39.263 38.487 0.005 0.000 1.066 112 N HN 0.258 nan 8.380 nan 0.000 0.474 113 P HA -0.175 nan 4.420 nan 0.000 0.217 113 P C 1.175 178.480 177.300 0.008 0.000 1.151 113 P CA 1.480 64.586 63.100 0.009 0.000 0.849 113 P CB 0.173 31.880 31.700 0.012 0.000 0.787 114 M N -1.053 118.551 119.600 0.007 0.000 2.123 114 M HA -0.090 4.391 4.480 0.002 0.000 0.263 114 M C 1.627 177.929 176.300 0.004 0.000 1.069 114 M CA 1.703 57.006 55.300 0.006 0.000 1.133 114 M CB -1.172 31.432 32.600 0.006 0.000 1.356 114 M HN -0.153 nan 8.290 nan 0.000 0.415 115 D N -0.423 119.979 120.400 0.004 0.000 2.224 115 D HA -0.040 4.601 4.640 0.002 0.000 0.205 115 D C 2.119 178.421 176.300 0.003 0.000 0.965 115 D CA 0.928 54.930 54.000 0.003 0.000 0.852 115 D CB 0.004 40.806 40.800 0.003 0.000 0.947 115 D HN 0.312 nan 8.370 nan 0.000 0.494 116 L N 1.013 122.239 121.223 0.004 0.000 2.017 116 L HA -0.195 4.146 4.340 0.002 0.000 0.208 116 L C 2.607 179.479 176.870 0.004 0.000 1.073 116 L CA 1.222 56.065 54.840 0.005 0.000 0.745 116 L CB -0.369 41.693 42.059 0.006 0.000 0.894 116 L HN -0.035 nan 8.230 nan 0.000 0.432 117 K N 0.618 121.021 120.400 0.005 0.000 2.009 117 K HA -0.270 4.051 4.320 0.002 0.000 0.210 117 K C 2.318 178.918 176.600 0.001 0.000 1.049 117 K CA 1.743 58.032 56.287 0.003 0.000 0.929 117 K CB -0.215 32.288 32.500 0.004 0.000 0.714 117 K HN 0.059 nan 8.250 nan 0.000 0.440 118 R N -0.256 120.245 120.500 0.001 0.000 2.200 118 R HA -0.111 4.230 4.340 0.002 0.000 0.234 118 R C 2.048 178.348 176.300 0.000 0.000 1.127 118 R CA 1.535 57.635 56.100 -0.000 0.000 0.989 118 R CB -0.321 29.980 30.300 0.001 0.000 0.869 118 R HN 0.475 nan 8.270 nan 0.000 0.459 119 G N 0.473 109.274 108.800 0.001 0.000 2.417 119 G HA2 -0.114 3.847 3.960 0.002 0.000 0.212 119 G HA3 -0.114 3.847 3.960 0.002 0.000 0.212 119 G C 1.414 176.315 174.900 0.001 0.000 1.187 119 G CA 0.239 45.340 45.100 0.001 0.000 0.804 119 G HN 0.201 nan 8.290 nan 0.000 0.534 120 I N 1.134 121.705 120.570 0.002 0.000 2.315 120 I HA -0.106 4.065 4.170 0.002 0.000 0.248 120 I C 2.206 178.322 176.117 -0.002 0.000 1.117 120 I CA 0.910 62.211 61.300 0.001 0.000 1.404 120 I CB -0.257 37.745 38.000 0.003 0.000 1.071 120 I HN 0.048 nan 8.210 nan 0.000 0.419 121 D N 1.323 121.721 120.400 -0.003 0.000 2.103 121 D HA -0.251 4.390 4.640 0.002 0.000 0.190 121 D C 2.085 178.382 176.300 -0.007 0.000 0.997 121 D CA 1.480 55.476 54.000 -0.007 0.000 0.833 121 D CB -0.276 40.520 40.800 -0.007 0.000 0.961 121 D HN 0.238 nan 8.370 nan 0.000 0.447 122 K N 0.264 120.662 120.400 -0.004 0.000 2.097 122 K HA -0.100 4.221 4.320 0.002 0.000 0.206 122 K C 1.987 178.585 176.600 -0.002 0.000 1.049 122 K CA 1.250 57.535 56.287 -0.003 0.000 0.933 122 K CB -0.026 32.473 32.500 -0.002 0.000 0.717 122 K HN 0.060 nan 8.250 nan 0.000 0.442 123 A N 0.312 123.131 122.820 -0.001 0.000 1.897 123 A HA -0.075 4.246 4.320 0.002 0.000 0.215 123 A C 2.200 179.783 177.584 -0.001 0.000 1.181 123 A CA 1.246 53.283 52.037 0.001 0.000 0.620 123 A CB -0.472 18.529 19.000 0.002 0.000 0.821 123 A HN 0.145 nan 8.150 nan 0.000 0.443 124 V N -0.299 119.613 119.914 -0.003 0.000 2.307 124 V HA -0.210 3.911 4.120 0.002 0.000 0.245 124 V C 2.769 178.857 176.094 -0.010 0.000 1.045 124 V CA 2.486 64.782 62.300 -0.007 0.000 1.024 124 V CB -1.139 30.678 31.823 -0.011 0.000 0.651 124 V HN 0.594 nan 8.190 nan 0.000 0.449 125 T N 0.375 114.922 114.554 -0.012 0.000 2.708 125 T HA -0.186 4.165 4.350 0.002 0.000 0.266 125 T C 2.060 176.755 174.700 -0.008 0.000 1.037 125 T CA 1.702 63.794 62.100 -0.012 0.000 1.146 125 T CB -0.463 68.398 68.868 -0.012 0.000 0.865 125 T HN 0.568 nan 8.240 nan 0.000 0.435 126 A N 1.515 124.332 122.820 -0.004 0.000 1.883 126 A HA 0.072 4.393 4.320 0.002 0.000 0.217 126 A C 2.660 180.244 177.584 0.001 0.000 1.186 126 A CA 2.036 54.072 52.037 -0.001 0.000 0.624 126 A CB -1.209 17.792 19.000 0.000 0.000 0.822 126 A HN 0.519 nan 8.150 nan 0.000 0.444 127 A N -0.714 122.107 122.820 0.001 0.000 1.902 127 A HA -0.032 4.290 4.320 0.002 0.000 0.217 127 A C 2.223 179.808 177.584 0.002 0.000 1.181 127 A CA 1.856 53.896 52.037 0.004 0.000 0.623 127 A CB -0.978 18.024 19.000 0.005 0.000 0.818 127 A HN 0.435 nan 8.150 nan 0.000 0.443 128 V N -0.286 119.626 119.914 -0.003 0.000 2.490 128 V HA -0.223 3.898 4.120 0.002 0.000 0.250 128 V C 2.511 178.603 176.094 -0.003 0.000 1.061 128 V CA 2.383 64.679 62.300 -0.006 0.000 1.064 128 V CB -0.588 31.226 31.823 -0.015 0.000 0.670 128 V HN 0.700 nan 8.190 nan 0.000 0.461 129 E N 0.225 120.423 120.200 -0.003 0.000 2.072 129 E HA -0.167 4.185 4.350 0.002 0.000 0.190 129 E C 2.241 178.843 176.600 0.003 0.000 0.982 129 E CA 1.172 57.571 56.400 -0.001 0.000 0.803 129 E CB -0.108 29.591 29.700 -0.001 0.000 0.755 129 E HN 0.623 nan 8.360 nan 0.000 0.453 130 E N -0.106 120.097 120.200 0.005 0.000 2.153 130 E HA -0.185 4.167 4.350 0.002 0.000 0.194 130 E C 2.021 178.627 176.600 0.011 0.000 0.988 130 E CA 0.643 57.049 56.400 0.009 0.000 0.811 130 E CB -0.093 29.613 29.700 0.010 0.000 0.746 130 E HN 0.195 nan 8.360 nan 0.000 0.466 131 L N 1.679 122.908 121.223 0.010 0.000 2.127 131 L HA -0.196 4.145 4.340 0.002 0.000 0.211 131 L C 1.866 178.742 176.870 0.010 0.000 1.089 131 L CA 1.682 56.529 54.840 0.011 0.000 0.757 131 L CB -0.093 41.972 42.059 0.009 0.000 0.899 131 L HN -0.066 nan 8.230 nan 0.000 0.434 132 K N -0.999 119.406 120.400 0.007 0.000 2.147 132 K HA -0.096 4.225 4.320 0.002 0.000 0.205 132 K C 2.034 178.639 176.600 0.009 0.000 1.049 132 K CA 1.229 57.520 56.287 0.007 0.000 0.936 132 K CB -0.288 32.214 32.500 0.004 0.000 0.722 132 K HN 0.452 nan 8.250 nan 0.000 0.446 133 A N 0.927 123.753 122.820 0.010 0.000 1.903 133 A HA -0.048 4.273 4.320 0.002 0.000 0.213 133 A C 2.003 179.596 177.584 0.015 0.000 1.185 133 A CA 0.655 52.699 52.037 0.012 0.000 0.628 133 A CB -0.307 18.699 19.000 0.011 0.000 0.830 133 A HN 0.186 nan 8.150 nan 0.000 0.446 134 L N 0.144 121.377 121.223 0.017 0.000 2.201 134 L HA 0.079 4.420 4.340 0.002 0.000 0.212 134 L C 1.401 178.283 176.870 0.021 0.000 1.105 134 L CA 1.201 56.054 54.840 0.022 0.000 0.775 134 L CB -0.449 41.624 42.059 0.024 0.000 0.913 134 L HN 0.260 nan 8.230 nan 0.000 0.440 135 S N -0.230 115.480 115.700 0.017 0.000 2.481 135 S HA 0.190 4.661 4.470 0.002 0.000 0.282 135 S C -0.030 174.579 174.600 0.015 0.000 1.243 135 S CA -0.651 57.558 58.200 0.015 0.000 1.078 135 S CB -0.080 63.127 63.200 0.013 0.000 0.916 135 S HN 0.073 nan 8.310 nan 0.000 0.495 136 V N 8.724 128.647 119.914 0.015 0.000 2.614 136 V HA 0.284 4.405 4.120 0.002 0.000 0.291 136 V C -1.865 174.236 176.094 0.012 0.000 1.049 136 V CA -1.675 60.634 62.300 0.014 0.000 1.038 136 V CB 0.699 32.531 31.823 0.015 0.000 0.980 136 V HN 0.732 nan 8.190 nan 0.000 0.481 137 P HA 0.090 nan 4.420 nan 0.000 0.269 137 P C -0.539 176.767 177.300 0.009 0.000 1.215 137 P CA -0.296 62.810 63.100 0.010 0.000 0.780 137 P CB 0.391 32.096 31.700 0.009 0.000 0.898 138 C N 2.248 121.554 119.300 0.009 0.000 2.369 138 C HA 0.539 5.000 4.460 0.002 0.000 0.358 138 C C 1.402 176.396 174.990 0.007 0.000 1.274 138 C CA 0.812 59.835 59.018 0.008 0.000 1.935 138 C CB -0.790 26.955 27.740 0.009 0.000 2.431 138 C HN 0.686 nan 8.230 nan 0.000 0.545 139 S N 1.814 117.518 115.700 0.006 0.000 2.323 139 S HA 0.077 4.548 4.470 0.002 0.000 0.233 139 S C -0.441 174.161 174.600 0.004 0.000 0.898 139 S CA 0.321 58.524 58.200 0.005 0.000 1.321 139 S CB -0.621 62.583 63.200 0.006 0.000 0.921 139 S HN 0.957 nan 8.310 nan 0.000 0.398 140 D N 0.802 121.204 120.400 0.003 0.000 2.193 140 D HA 0.572 5.213 4.640 0.002 0.000 0.249 140 D C 1.054 177.354 176.300 0.001 0.000 1.034 140 D CA 0.049 54.051 54.000 0.002 0.000 0.902 140 D CB 1.703 42.505 40.800 0.003 0.000 1.182 140 D HN -0.006 nan 8.370 nan 0.000 0.436 141 S N 1.661 117.360 115.700 -0.000 0.000 2.383 141 S HA -0.197 4.274 4.470 0.002 0.000 0.229 141 S C 1.616 176.214 174.600 -0.003 0.000 1.030 141 S CA 1.039 59.237 58.200 -0.002 0.000 1.002 141 S CB -0.315 62.883 63.200 -0.003 0.000 0.829 141 S HN 0.644 nan 8.310 nan 0.000 0.467 142 K N 1.627 122.026 120.400 -0.002 0.000 2.025 142 K HA -0.051 4.270 4.320 0.002 0.000 0.207 142 K C 2.302 178.900 176.600 -0.003 0.000 1.049 142 K CA 1.202 57.487 56.287 -0.002 0.000 0.933 142 K CB -0.425 32.075 32.500 -0.001 0.000 0.714 142 K HN 0.274 nan 8.250 nan 0.000 0.438 143 A N 1.879 124.698 122.820 -0.001 0.000 1.908 143 A HA -0.168 4.153 4.320 0.002 0.000 0.218 143 A C 2.098 179.681 177.584 -0.002 0.000 1.181 143 A CA 1.501 53.537 52.037 -0.000 0.000 0.627 143 A CB -0.586 18.415 19.000 0.002 0.000 0.818 143 A HN 0.344 nan 8.150 nan 0.000 0.445 144 I N -0.058 120.511 120.570 -0.002 0.000 2.118 144 I HA -0.308 3.863 4.170 0.002 0.000 0.241 144 I C 3.005 179.118 176.117 -0.007 0.000 1.070 144 I CA 1.711 63.008 61.300 -0.004 0.000 1.327 144 I CB -1.618 36.379 38.000 -0.005 0.000 1.034 144 I HN 0.392 nan 8.210 nan 0.000 0.405 145 A N -0.060 122.755 122.820 -0.008 0.000 1.883 145 A HA -0.288 4.033 4.320 0.002 0.000 0.217 145 A C 2.358 179.936 177.584 -0.010 0.000 1.186 145 A CA 2.072 54.104 52.037 -0.010 0.000 0.624 145 A CB -0.805 18.190 19.000 -0.009 0.000 0.822 145 A HN 0.563 nan 8.150 nan 0.000 0.444 146 Q N -0.785 119.009 119.800 -0.009 0.000 2.016 146 Q HA -0.117 4.224 4.340 0.002 0.000 0.200 146 Q C 2.037 178.030 176.000 -0.010 0.000 0.978 146 Q CA 1.864 57.661 55.803 -0.010 0.000 0.833 146 Q CB -0.286 28.447 28.738 -0.009 0.000 0.895 146 Q HN 0.398 nan 8.270 nan 0.000 0.427 147 V N 0.454 120.364 119.914 -0.007 0.000 2.594 147 V HA -0.151 3.970 4.120 0.002 0.000 0.253 147 V C 1.940 178.031 176.094 -0.006 0.000 1.069 147 V CA 2.070 64.367 62.300 -0.005 0.000 1.082 147 V CB -0.731 31.092 31.823 -0.000 0.000 0.680 147 V HN 0.621 nan 8.190 nan 0.000 0.469 148 G N -0.150 108.645 108.800 -0.009 0.000 2.480 148 G HA2 -0.346 3.615 3.960 0.002 0.000 0.216 148 G HA3 -0.346 3.615 3.960 0.002 0.000 0.216 148 G C 1.741 176.633 174.900 -0.012 0.000 1.200 148 G CA 1.843 46.936 45.100 -0.012 0.000 0.782 148 G HN 0.605 nan 8.290 nan 0.000 0.554 149 T N -0.061 114.485 114.554 -0.013 0.000 2.759 149 T HA -0.074 4.277 4.350 0.002 0.000 0.269 149 T C 2.400 177.091 174.700 -0.015 0.000 1.042 149 T CA 1.416 63.507 62.100 -0.015 0.000 1.140 149 T CB -0.301 68.558 68.868 -0.016 0.000 0.864 149 T HN 0.263 nan 8.240 nan 0.000 0.455 150 I N 1.151 121.712 120.570 -0.015 0.000 2.233 150 I HA -0.078 4.093 4.170 0.002 0.000 0.243 150 I C 2.990 179.101 176.117 -0.010 0.000 1.093 150 I CA 1.324 62.615 61.300 -0.016 0.000 1.380 150 I CB -0.433 37.557 38.000 -0.016 0.000 1.067 150 I HN 0.292 nan 8.210 nan 0.000 0.413 151 S N 0.371 116.068 115.700 -0.005 0.000 2.515 151 S HA 0.071 4.542 4.470 0.002 0.000 0.231 151 S C 1.772 176.373 174.600 0.001 0.000 0.987 151 S CA 0.830 59.031 58.200 0.002 0.000 0.936 151 S CB -0.134 63.072 63.200 0.010 0.000 0.766 151 S HN 0.425 nan 8.310 nan 0.000 0.528 152 A N 1.265 124.082 122.820 -0.005 0.000 2.302 152 A HA 0.315 4.636 4.320 0.002 0.000 0.219 152 A C 0.962 178.541 177.584 -0.009 0.000 1.243 152 A CA 0.307 52.340 52.037 -0.006 0.000 0.856 152 A CB -0.702 18.292 19.000 -0.010 0.000 0.893 152 A HN 0.734 nan 8.150 nan 0.000 0.491 153 N N -1.565 117.129 118.700 -0.010 0.000 2.878 153 N HA -0.253 4.488 4.740 0.002 0.000 0.247 153 N C 0.083 175.582 175.510 -0.018 0.000 1.021 153 N CA 0.874 53.916 53.050 -0.014 0.000 0.873 153 N CB -0.928 37.553 38.487 -0.010 0.000 1.128 153 N HN 0.454 nan 8.380 nan 0.000 0.571 154 S N -1.287 114.402 115.700 -0.019 0.000 1.875 154 S HA -0.112 4.359 4.470 0.002 0.000 0.246 154 S C -0.621 173.969 174.600 -0.018 0.000 1.388 154 S CA 0.283 58.470 58.200 -0.022 0.000 1.075 154 S CB -0.796 62.389 63.200 -0.025 0.000 1.379 154 S HN 0.529 nan 8.310 nan 0.000 0.641 155 D N 2.396 122.787 120.400 -0.015 0.000 2.357 155 D HA 0.153 4.794 4.640 0.002 0.000 0.265 155 D C 1.110 177.402 176.300 -0.014 0.000 1.334 155 D CA 0.340 54.332 54.000 -0.014 0.000 0.984 155 D CB 0.379 41.172 40.800 -0.012 0.000 1.077 155 D HN 0.499 nan 8.370 nan 0.000 0.514 156 E N 1.085 121.276 120.200 -0.014 0.000 2.171 156 E HA -0.199 4.152 4.350 0.002 0.000 0.197 156 E C 1.785 178.377 176.600 -0.013 0.000 0.997 156 E CA 1.654 58.046 56.400 -0.014 0.000 0.810 156 E CB 0.194 29.887 29.700 -0.013 0.000 0.738 156 E HN 0.608 nan 8.360 nan 0.000 0.467 157 T N -1.182 113.365 114.554 -0.013 0.000 2.896 157 T HA -0.057 4.294 4.350 0.002 0.000 0.263 157 T C 2.118 176.810 174.700 -0.014 0.000 1.050 157 T CA 0.688 62.780 62.100 -0.013 0.000 1.140 157 T CB -0.427 68.434 68.868 -0.012 0.000 0.877 157 T HN -0.045 nan 8.240 nan 0.000 0.457 158 V N 2.115 122.020 119.914 -0.015 0.000 2.343 158 V HA -0.031 4.090 4.120 0.002 0.000 0.247 158 V C 3.040 179.122 176.094 -0.019 0.000 1.051 158 V CA 1.880 64.170 62.300 -0.018 0.000 1.036 158 V CB -1.486 30.327 31.823 -0.017 0.000 0.654 158 V HN 0.665 nan 8.190 nan 0.000 0.451 159 G N -0.501 108.289 108.800 -0.017 0.000 2.421 159 G HA2 -0.309 3.652 3.960 0.002 0.000 0.216 159 G HA3 -0.309 3.652 3.960 0.002 0.000 0.216 159 G C 1.637 176.528 174.900 -0.015 0.000 1.171 159 G CA 1.095 46.185 45.100 -0.016 0.000 0.775 159 G HN 0.476 nan 8.290 nan 0.000 0.543 160 K N -0.461 119.931 120.400 -0.014 0.000 2.020 160 K HA -0.100 4.221 4.320 0.002 0.000 0.212 160 K C 2.512 179.103 176.600 -0.015 0.000 1.050 160 K CA 1.162 57.441 56.287 -0.013 0.000 0.929 160 K CB -0.274 32.219 32.500 -0.012 0.000 0.714 160 K HN 0.190 nan 8.250 nan 0.000 0.443 161 L N 1.357 122.570 121.223 -0.017 0.000 1.989 161 L HA -0.194 4.147 4.340 0.002 0.000 0.211 161 L C 2.254 179.110 176.870 -0.023 0.000 1.071 161 L CA 1.626 56.455 54.840 -0.020 0.000 0.749 161 L CB -0.548 41.498 42.059 -0.022 0.000 0.890 161 L HN 0.269 nan 8.230 nan 0.000 0.431 162 I N -1.234 119.321 120.570 -0.026 0.000 2.179 162 I HA -0.301 3.870 4.170 0.002 0.000 0.242 162 I C 2.554 178.657 176.117 -0.022 0.000 1.088 162 I CA 1.187 62.469 61.300 -0.029 0.000 1.357 162 I CB -0.531 37.449 38.000 -0.033 0.000 1.051 162 I HN 0.233 nan 8.210 nan 0.000 0.409 163 A N 0.467 123.277 122.820 -0.018 0.000 1.877 163 A HA -0.217 4.104 4.320 0.002 0.000 0.216 163 A C 2.209 179.785 177.584 -0.012 0.000 1.186 163 A CA 1.679 53.708 52.037 -0.013 0.000 0.620 163 A CB -0.601 18.392 19.000 -0.011 0.000 0.822 163 A HN 0.441 nan 8.150 nan 0.000 0.443 164 E N -0.367 119.826 120.200 -0.013 0.000 2.274 164 E HA -0.005 4.346 4.350 0.002 0.000 0.194 164 E C 2.193 178.786 176.600 -0.012 0.000 0.996 164 E CA 0.585 56.979 56.400 -0.011 0.000 0.840 164 E CB -0.197 29.496 29.700 -0.011 0.000 0.772 164 E HN 0.631 nan 8.360 nan 0.000 0.491 165 A N 1.223 124.034 122.820 -0.015 0.000 1.854 165 A HA -0.132 4.189 4.320 0.002 0.000 0.214 165 A C 2.140 179.716 177.584 -0.014 0.000 1.192 165 A CA 1.098 53.125 52.037 -0.016 0.000 0.611 165 A CB -0.311 18.676 19.000 -0.022 0.000 0.832 165 A HN 0.106 nan 8.150 nan 0.000 0.442 166 M N -1.069 118.523 119.600 -0.014 0.000 2.254 166 M HA -0.102 4.379 4.480 0.002 0.000 0.265 166 M C 1.722 178.018 176.300 -0.007 0.000 1.066 166 M CA 1.701 56.994 55.300 -0.011 0.000 1.123 166 M CB -0.459 32.134 32.600 -0.012 0.000 1.388 166 M HN 0.525 nan 8.290 nan 0.000 0.425 167 D N 0.525 120.920 120.400 -0.007 0.000 2.264 167 D HA -0.118 4.523 4.640 0.002 0.000 0.208 167 D C 1.817 178.114 176.300 -0.005 0.000 0.966 167 D CA 1.128 55.125 54.000 -0.005 0.000 0.864 167 D CB 0.355 41.151 40.800 -0.005 0.000 0.933 167 D HN 0.263 nan 8.370 nan 0.000 0.499 168 K N -0.778 119.618 120.400 -0.006 0.000 2.172 168 K HA 0.095 4.417 4.320 0.002 0.000 0.203 168 K C 1.771 178.369 176.600 -0.004 0.000 1.040 168 K CA 0.252 56.536 56.287 -0.005 0.000 0.974 168 K CB 0.093 32.589 32.500 -0.006 0.000 0.857 168 K HN -0.044 nan 8.250 nan 0.000 0.464 169 V N 0.769 120.680 119.914 -0.005 0.000 3.129 169 V HA 0.105 4.226 4.120 0.002 0.000 0.259 169 V C 0.462 176.554 176.094 -0.003 0.000 1.116 169 V CA 1.224 63.521 62.300 -0.004 0.000 1.127 169 V CB -0.277 31.543 31.823 -0.006 0.000 0.742 169 V HN 0.622 nan 8.190 nan 0.000 0.474 170 G N 0.010 108.808 108.800 -0.003 0.000 2.795 170 G HA2 -0.229 3.732 3.960 0.002 0.000 0.664 170 G HA3 -0.229 3.732 3.960 0.002 0.000 0.664 170 G C 0.261 175.160 174.900 -0.000 0.000 1.381 170 G CA 0.112 45.212 45.100 -0.001 0.000 0.853 170 G HN 0.292 nan 8.290 nan 0.000 0.545 171 K N -0.131 120.270 120.400 0.001 0.000 2.152 171 K HA -0.104 4.217 4.320 0.002 0.000 0.206 171 K C 1.843 178.447 176.600 0.006 0.000 1.048 171 K CA 1.837 58.126 56.287 0.003 0.000 0.933 171 K CB 0.076 32.580 32.500 0.005 0.000 0.721 171 K HN 0.401 nan 8.250 nan 0.000 0.447 172 E N 0.157 120.361 120.200 0.006 0.000 2.501 172 E HA 0.106 4.457 4.350 0.002 0.000 0.200 172 E C 0.048 176.653 176.600 0.009 0.000 1.016 172 E CA -0.233 56.172 56.400 0.009 0.000 0.921 172 E CB 0.652 30.357 29.700 0.009 0.000 1.034 172 E HN 0.283 nan 8.360 nan 0.000 0.468 173 G N -0.423 108.379 108.800 0.005 0.000 2.528 173 G HA2 0.381 4.342 3.960 0.002 0.000 0.289 173 G HA3 0.381 4.342 3.960 0.002 0.000 0.289 173 G C -0.504 174.397 174.900 0.001 0.000 1.192 173 G CA -0.561 44.541 45.100 0.003 0.000 0.921 173 G HN 0.037 nan 8.290 nan 0.000 0.512 174 V N 0.512 120.427 119.914 0.001 0.000 2.498 174 V HA 0.410 4.531 4.120 0.002 0.000 0.279 174 V C -0.190 175.896 176.094 -0.014 0.000 1.048 174 V CA 0.032 62.330 62.300 -0.004 0.000 0.967 174 V CB 0.813 32.636 31.823 0.001 0.000 0.988 174 V HN 0.468 nan 8.190 nan 0.000 0.473 175 I N 4.142 124.696 120.570 -0.026 0.000 2.656 175 I HA 0.699 4.870 4.170 0.002 0.000 0.292 175 I C 0.047 176.133 176.117 -0.052 0.000 1.144 175 I CA -0.057 61.220 61.300 -0.038 0.000 1.038 175 I CB 2.450 40.422 38.000 -0.047 0.000 1.244 175 I HN 0.793 nan 8.210 nan 0.000 0.420 176 T N 1.640 116.165 114.554 -0.048 0.000 2.696 176 T HA 0.933 5.284 4.350 0.002 0.000 0.291 176 T C -1.172 173.501 174.700 -0.045 0.000 1.095 176 T CA -0.803 61.268 62.100 -0.049 0.000 1.026 176 T CB 1.753 70.601 68.868 -0.033 0.000 1.390 176 T HN 0.328 nan 8.240 nan 0.000 0.513 177 V N 0.369 120.262 119.914 -0.036 0.000 2.888 177 V HA 0.738 4.859 4.120 0.002 0.000 0.309 177 V C -0.844 175.240 176.094 -0.017 0.000 1.114 177 V CA -0.820 61.462 62.300 -0.030 0.000 0.940 177 V CB 1.774 33.576 31.823 -0.035 0.000 1.021 177 V HN 1.074 nan 8.190 nan 0.000 0.426 178 E N 0.742 120.933 120.200 -0.015 0.000 2.446 178 E HA 0.420 4.771 4.350 0.002 0.000 0.276 178 E C -1.727 174.867 176.600 -0.010 0.000 0.969 178 E CA -1.079 55.314 56.400 -0.012 0.000 0.800 178 E CB 2.164 31.856 29.700 -0.013 0.000 1.341 178 E HN 0.753 nan 8.360 nan 0.000 0.460 179 D N 0.577 120.972 120.400 -0.009 0.000 2.449 179 D HA 0.236 4.877 4.640 0.002 0.000 0.236 179 D C 0.207 176.501 176.300 -0.009 0.000 1.149 179 D CA 0.521 54.516 54.000 -0.008 0.000 0.878 179 D CB 0.523 41.319 40.800 -0.008 0.000 1.198 179 D HN 0.457 nan 8.370 nan 0.000 0.446 180 G N -0.842 107.953 108.800 -0.009 0.000 2.528 180 G HA2 0.371 4.332 3.960 0.002 0.000 0.289 180 G HA3 0.371 4.332 3.960 0.002 0.000 0.289 180 G C 0.934 175.829 174.900 -0.009 0.000 1.192 180 G CA -0.270 44.825 45.100 -0.009 0.000 0.921 180 G HN 0.499 nan 8.290 nan 0.000 0.512 181 T N -2.797 111.752 114.554 -0.009 0.000 3.051 181 T HA 0.485 4.836 4.350 0.002 0.000 0.255 181 T C 1.165 175.860 174.700 -0.007 0.000 1.085 181 T CA 0.994 63.089 62.100 -0.008 0.000 1.109 181 T CB 0.272 69.135 68.868 -0.008 0.000 0.921 181 T HN 1.406 nan 8.240 nan 0.000 0.488 182 G N 0.909 109.704 108.800 -0.007 0.000 2.539 182 G HA2 0.346 4.307 3.960 0.002 0.000 0.138 182 G HA3 0.346 4.307 3.960 0.002 0.000 0.138 182 G C -0.443 174.453 174.900 -0.006 0.000 1.148 182 G CA -0.200 44.896 45.100 -0.006 0.000 1.057 182 G HN 0.145 nan 8.290 nan 0.000 0.511 183 L N 0.520 121.740 121.223 -0.006 0.000 2.551 183 L HA 0.374 4.715 4.340 0.002 0.000 0.228 183 L C 0.455 177.322 176.870 -0.006 0.000 1.153 183 L CA 1.188 56.025 54.840 -0.006 0.000 0.851 183 L CB -0.392 41.663 42.059 -0.005 0.000 0.959 183 L HN 0.349 nan 8.230 nan 0.000 0.451 184 Q N 0.154 119.950 119.800 -0.007 0.000 2.377 184 Q HA 0.297 4.638 4.340 0.002 0.000 0.271 184 Q C -0.994 175.001 176.000 -0.008 0.000 1.077 184 Q CA -0.576 55.223 55.803 -0.007 0.000 0.820 184 Q CB 1.685 30.419 28.738 -0.007 0.000 1.347 184 Q HN 0.200 nan 8.270 nan 0.000 0.444 185 D N 1.708 122.103 120.400 -0.009 0.000 2.389 185 D HA 0.115 4.756 4.640 0.002 0.000 0.247 185 D C -0.422 175.872 176.300 -0.010 0.000 1.128 185 D CA 0.320 54.314 54.000 -0.010 0.000 0.884 185 D CB 1.208 42.001 40.800 -0.012 0.000 1.194 185 D HN 0.308 nan 8.370 nan 0.000 0.441 186 E N 1.310 121.503 120.200 -0.011 0.000 2.176 186 E HA 0.347 4.698 4.350 0.002 0.000 0.267 186 E C -0.685 175.908 176.600 -0.012 0.000 0.893 186 E CA -0.649 55.745 56.400 -0.010 0.000 0.761 186 E CB 2.367 32.061 29.700 -0.010 0.000 1.133 186 E HN 0.238 nan 8.360 nan 0.000 0.409 187 L N 4.094 125.310 121.223 -0.012 0.000 2.264 187 L HA 0.339 4.680 4.340 0.002 0.000 0.289 187 L C -1.005 175.859 176.870 -0.011 0.000 1.044 187 L CA -0.377 54.456 54.840 -0.013 0.000 0.807 187 L CB 0.538 42.589 42.059 -0.013 0.000 1.192 187 L HN 0.492 nan 8.230 nan 0.000 0.425 188 D N 4.224 124.617 120.400 -0.011 0.000 2.340 188 D HA 0.519 5.160 4.640 0.002 0.000 0.240 188 D C -0.835 175.459 176.300 -0.010 0.000 1.001 188 D CA -0.139 53.855 54.000 -0.010 0.000 0.888 188 D CB 2.718 43.513 40.800 -0.010 0.000 1.310 188 D HN 0.304 nan 8.370 nan 0.000 0.474 189 V N -1.252 118.657 119.914 -0.008 0.000 2.656 189 V HA 0.882 5.003 4.120 0.002 0.000 0.307 189 V C -0.502 175.589 176.094 -0.004 0.000 1.051 189 V CA -0.674 61.623 62.300 -0.006 0.000 0.893 189 V CB 1.748 33.568 31.823 -0.005 0.000 0.999 189 V HN 0.374 nan 8.190 nan 0.000 0.426 190 V N 2.520 122.433 119.914 -0.003 0.000 3.167 190 V HA 0.478 4.599 4.120 0.002 0.000 0.293 190 V C -0.791 175.304 176.094 0.003 0.000 1.379 190 V CA -0.530 61.769 62.300 -0.001 0.000 1.019 190 V CB 2.392 34.213 31.823 -0.003 0.000 1.115 190 V HN 1.176 nan 8.190 nan 0.000 0.442 191 E N 2.611 122.814 120.200 0.005 0.000 2.508 191 E HA 0.454 4.805 4.350 0.002 0.000 0.266 191 E C 0.383 176.991 176.600 0.013 0.000 1.010 191 E CA 0.896 57.302 56.400 0.010 0.000 0.955 191 E CB 0.307 30.013 29.700 0.010 0.000 0.946 191 E HN 1.451 nan 8.360 nan 0.000 0.454 192 G N -0.012 108.801 108.800 0.022 0.000 2.367 192 G HA2 0.372 4.333 3.960 0.002 0.000 0.272 192 G HA3 0.372 4.333 3.960 0.002 0.000 0.272 192 G C -1.372 173.558 174.900 0.051 0.000 1.271 192 G CA -0.364 44.754 45.100 0.030 0.000 0.893 192 G HN 0.504 nan 8.290 nan 0.000 0.485 193 M N 0.401 120.040 119.600 0.064 0.000 2.346 193 M HA 0.494 4.975 4.480 0.002 0.000 0.287 193 M C -1.912 174.438 176.300 0.085 0.000 1.100 193 M CA -0.478 54.888 55.300 0.111 0.000 0.950 193 M CB 2.207 34.921 32.600 0.189 0.000 1.815 193 M HN 0.767 nan 8.290 nan 0.000 0.497 194 Q N 4.106 123.952 119.800 0.077 0.000 2.312 194 Q HA 0.819 5.160 4.340 0.002 0.000 0.263 194 Q C -1.934 174.138 176.000 0.120 0.000 0.995 194 Q CA -0.602 55.195 55.803 -0.010 0.000 0.853 194 Q CB 1.659 30.390 28.738 -0.012 0.000 1.300 194 Q HN 0.533 nan 8.270 nan 0.000 0.448 195 F N -0.173 119.794 119.950 0.027 0.000 2.619 195 F HA 0.450 4.978 4.527 0.002 0.000 0.308 195 F C -0.883 174.934 175.800 0.028 0.000 1.097 195 F CA -1.300 56.718 58.000 0.029 0.000 0.953 195 F CB 1.103 40.122 39.000 0.031 0.000 1.287 195 F HN 0.394 nan 8.300 nan 0.000 0.446 196 D N 1.384 121.948 120.400 0.273 0.000 2.663 196 D HA 0.229 4.870 4.640 0.002 0.000 0.243 196 D C -0.604 175.779 176.300 0.139 0.000 1.218 196 D CA 0.304 54.389 54.000 0.142 0.000 0.846 196 D CB -0.171 40.698 40.800 0.114 0.000 1.014 196 D HN 0.322 nan 8.370 nan 0.000 0.476 197 R N -0.235 120.376 120.500 0.185 0.000 2.575 197 R HA 0.656 4.997 4.340 0.002 0.000 0.293 197 R C 0.505 176.834 176.300 0.049 0.000 0.983 197 R CA -0.706 55.479 56.100 0.142 0.000 0.887 197 R CB 1.910 32.359 30.300 0.249 0.000 1.184 197 R HN 0.080 nan 8.270 nan 0.000 0.445 198 G N 0.883 109.659 108.800 -0.040 0.000 2.532 198 G HA2 0.300 4.261 3.960 0.002 0.000 0.291 198 G HA3 0.300 4.261 3.960 0.002 0.000 0.291 198 G C -0.830 174.037 174.900 -0.056 0.000 1.349 198 G CA -0.578 44.439 45.100 -0.140 0.000 1.038 198 G HN 0.571 nan 8.290 nan 0.000 0.518 199 Y N -1.245 119.111 120.300 0.093 0.000 2.497 199 Y HA 0.378 4.929 4.550 0.002 0.000 0.334 199 Y C 1.124 177.123 175.900 0.165 0.000 1.199 199 Y CA -1.069 57.139 58.100 0.181 0.000 1.425 199 Y CB 0.457 39.055 38.460 0.230 0.000 1.291 199 Y HN 0.118 nan 8.280 nan 0.000 0.562 200 L N 1.862 123.347 121.223 0.436 0.000 2.217 200 L HA 0.050 4.391 4.340 0.002 0.000 0.211 200 L C 0.945 177.868 176.870 0.088 0.000 1.107 200 L CA 1.295 56.284 54.840 0.248 0.000 0.783 200 L CB -0.377 41.862 42.059 0.300 0.000 0.919 200 L HN 0.779 nan 8.230 nan 0.000 0.442 201 S N -2.053 113.598 115.700 -0.081 0.000 2.538 201 S HA 0.420 4.891 4.470 0.002 0.000 0.288 201 S C -2.073 172.288 174.600 -0.398 0.000 1.108 201 S CA -1.282 56.624 58.200 -0.490 0.000 0.971 201 S CB 1.561 64.062 63.200 -1.165 0.000 1.041 201 S HN -0.195 nan 8.310 nan 0.000 0.483 202 P HA -0.067 nan 4.420 nan 0.000 0.219 202 P C 0.348 177.356 177.300 -0.487 0.000 1.146 202 P CA 1.236 64.087 63.100 -0.415 0.000 0.808 202 P CB -0.124 31.290 31.700 -0.476 0.000 0.779 203 Y N -2.906 117.217 120.300 -0.295 0.000 2.632 203 Y HA -0.026 4.524 4.550 0.002 0.000 0.301 203 Y C 1.380 177.245 175.900 -0.058 0.000 1.172 203 Y CA -0.212 57.771 58.100 -0.196 0.000 1.328 203 Y CB -0.683 37.667 38.460 -0.183 0.000 1.016 203 Y HN -0.072 nan 8.280 nan 0.000 0.529 204 F N -0.366 119.542 119.950 -0.069 0.000 2.776 204 F HA 0.163 4.691 4.527 0.002 0.000 0.300 204 F C 0.828 176.462 175.800 -0.277 0.000 1.116 204 F CA -1.085 56.834 58.000 -0.135 0.000 1.375 204 F CB -0.768 38.169 39.000 -0.105 0.000 1.109 204 F HN -0.120 nan 8.300 nan 0.000 0.585 205 I N 2.564 122.986 120.570 -0.247 0.000 2.668 205 I HA -0.105 4.066 4.170 0.002 0.000 0.285 205 I C 1.246 177.306 176.117 -0.095 0.000 1.168 205 I CA 0.215 61.346 61.300 -0.282 0.000 1.424 205 I CB 0.416 38.238 38.000 -0.296 0.000 1.377 205 I HN 0.100 nan 8.210 nan 0.000 0.560 206 N N 5.106 123.766 118.700 -0.066 0.000 2.227 206 N HA -0.002 4.739 4.740 0.002 0.000 0.196 206 N C -0.157 175.343 175.510 -0.017 0.000 1.142 206 N CA 0.116 53.151 53.050 -0.025 0.000 0.887 206 N CB 0.498 38.978 38.487 -0.012 0.000 1.022 206 N HN 0.225 nan 8.380 nan 0.000 0.500 207 K N 2.168 122.557 120.400 -0.020 0.000 2.357 207 K HA 0.332 4.653 4.320 0.002 0.000 0.251 207 K C -1.900 174.697 176.600 -0.004 0.000 1.069 207 K CA -2.043 54.242 56.287 -0.004 0.000 0.994 207 K CB 2.079 34.585 32.500 0.009 0.000 1.411 207 K HN 0.109 nan 8.250 nan 0.000 0.450 208 P HA -0.128 nan 4.420 nan 0.000 0.208 208 P C 0.695 177.998 177.300 0.004 0.000 1.203 208 P CA 1.159 64.257 63.100 -0.004 0.000 0.920 208 P CB 0.358 32.061 31.700 0.005 0.000 0.769 209 E N -0.307 119.899 120.200 0.010 0.000 2.273 209 E HA -0.118 4.233 4.350 0.002 0.000 0.198 209 E C 1.897 178.505 176.600 0.013 0.000 1.002 209 E CA 1.395 57.802 56.400 0.011 0.000 0.828 209 E CB -1.492 28.216 29.700 0.013 0.000 0.747 209 E HN 0.364 nan 8.360 nan 0.000 0.491 210 T N -0.631 113.935 114.554 0.019 0.000 2.978 210 T HA 0.179 4.530 4.350 0.002 0.000 0.262 210 T C 1.220 175.946 174.700 0.043 0.000 1.063 210 T CA 0.898 63.014 62.100 0.028 0.000 1.140 210 T CB -0.035 68.853 68.868 0.033 0.000 0.886 210 T HN 0.398 nan 8.240 nan 0.000 0.470 211 G N 1.573 110.408 108.800 0.058 0.000 2.401 211 G HA2 0.209 4.170 3.960 0.002 0.000 0.283 211 G HA3 0.209 4.170 3.960 0.002 0.000 0.283 211 G C -0.104 174.933 174.900 0.228 0.000 1.117 211 G CA -0.129 45.052 45.100 0.135 0.000 1.051 211 G HN 0.928 nan 8.290 nan 0.000 0.510 212 A N -1.241 121.653 122.820 0.124 0.000 2.602 212 A HA 1.008 5.329 4.320 0.002 0.000 0.290 212 A C -0.632 176.965 177.584 0.022 0.000 1.114 212 A CA -0.126 51.997 52.037 0.143 0.000 0.683 212 A CB 1.947 21.011 19.000 0.107 0.000 1.281 212 A HN 1.657 nan 8.150 nan 0.000 0.416 213 V N 0.328 120.272 119.914 0.050 0.000 2.709 213 V HA 0.610 4.731 4.120 0.002 0.000 0.308 213 V C -0.696 175.412 176.094 0.023 0.000 1.062 213 V CA -0.576 61.730 62.300 0.011 0.000 0.901 213 V CB 1.647 33.476 31.823 0.011 0.000 1.003 213 V HN 0.888 nan 8.190 nan 0.000 0.425 214 E N 4.204 124.408 120.200 0.006 0.000 2.234 214 E HA 0.767 5.118 4.350 0.002 0.000 0.266 214 E C -1.615 174.980 176.600 -0.009 0.000 0.877 214 E CA -0.691 55.710 56.400 0.001 0.000 0.758 214 E CB 2.886 32.586 29.700 0.000 0.000 1.170 214 E HN 0.514 nan 8.360 nan 0.000 0.415 215 L N 2.379 123.593 121.223 -0.015 0.000 2.436 215 L HA 0.378 4.720 4.340 0.002 0.000 0.268 215 L C -0.597 176.254 176.870 -0.032 0.000 0.974 215 L CA -0.989 53.837 54.840 -0.023 0.000 0.826 215 L CB 2.060 44.104 42.059 -0.025 0.000 1.291 215 L HN 0.358 nan 8.230 nan 0.000 0.406 216 E N 1.597 121.774 120.200 -0.039 0.000 2.156 216 E HA 0.250 4.602 4.350 0.002 0.000 0.279 216 E C 0.571 177.127 176.600 -0.072 0.000 0.965 216 E CA 0.055 56.427 56.400 -0.047 0.000 0.789 216 E CB 1.627 31.302 29.700 -0.041 0.000 1.098 216 E HN 0.725 nan 8.360 nan 0.000 0.397 217 S N 0.196 115.847 115.700 -0.081 0.000 3.445 217 S HA -0.154 4.317 4.470 0.002 0.000 0.319 217 S C -2.190 172.295 174.600 -0.192 0.000 1.209 217 S CA 0.498 58.624 58.200 -0.123 0.000 0.934 217 S CB -2.236 60.887 63.200 -0.129 0.000 0.999 217 S HN 0.368 nan 8.310 nan 0.000 0.582 218 P HA 0.587 nan 4.420 nan 0.000 0.277 218 P C 0.304 177.488 177.300 -0.193 0.000 1.271 218 P CA -0.725 62.271 63.100 -0.174 0.000 0.795 218 P CB 0.238 31.902 31.700 -0.059 0.000 1.101 219 F N -0.374 119.571 119.950 -0.009 0.000 2.382 219 F HA 0.395 4.923 4.527 0.002 0.000 0.331 219 F C 0.734 176.531 175.800 -0.005 0.000 1.121 219 F CA -0.232 57.764 58.000 -0.006 0.000 1.183 219 F CB 0.473 39.468 39.000 -0.008 0.000 1.207 219 F HN -0.054 nan 8.300 nan 0.000 0.555 220 I N 4.137 124.844 120.570 0.229 0.000 2.447 220 I HA 0.194 4.365 4.170 0.002 0.000 0.287 220 I C -1.180 174.990 176.117 0.089 0.000 1.023 220 I CA -0.750 60.625 61.300 0.125 0.000 1.083 220 I CB 1.800 39.864 38.000 0.107 0.000 1.245 220 I HN 0.285 nan 8.210 nan 0.000 0.434 221 L N 7.716 128.973 121.223 0.056 0.000 2.265 221 L HA 0.457 4.798 4.340 0.002 0.000 0.288 221 L C -0.698 176.190 176.870 0.029 0.000 1.058 221 L CA -0.265 54.591 54.840 0.026 0.000 0.809 221 L CB 1.069 43.134 42.059 0.010 0.000 1.179 221 L HN 0.589 nan 8.230 nan 0.000 0.429 222 L N 6.269 127.503 121.223 0.018 0.000 2.360 222 L HA 0.410 4.752 4.340 0.002 0.000 0.265 222 L C 0.388 177.258 176.870 -0.000 0.000 1.066 222 L CA -0.333 54.514 54.840 0.011 0.000 0.929 222 L CB 1.014 43.079 42.059 0.009 0.000 1.306 222 L HN 0.689 nan 8.230 nan 0.000 0.434 223 A N 0.823 123.644 122.820 0.002 0.000 2.289 223 A HA 0.211 4.532 4.320 0.002 0.000 0.298 223 A C 0.556 178.135 177.584 -0.008 0.000 1.208 223 A CA -0.452 51.585 52.037 -0.000 0.000 0.845 223 A CB 0.653 19.659 19.000 0.009 0.000 1.125 223 A HN 0.672 nan 8.150 nan 0.000 0.517 224 D N 1.144 121.538 120.400 -0.010 0.000 2.349 224 D HA 0.055 4.696 4.640 0.002 0.000 0.224 224 D C 0.638 176.934 176.300 -0.007 0.000 1.029 224 D CA 0.914 54.905 54.000 -0.015 0.000 0.879 224 D CB -0.009 40.782 40.800 -0.016 0.000 0.906 224 D HN 0.702 nan 8.370 nan 0.000 0.528 225 K N -1.772 118.629 120.400 0.001 0.000 2.318 225 K HA 0.522 4.843 4.320 0.002 0.000 0.265 225 K C -0.841 175.769 176.600 0.017 0.000 1.055 225 K CA -1.134 55.158 56.287 0.009 0.000 0.896 225 K CB 0.919 33.424 32.500 0.008 0.000 1.479 225 K HN -0.358 nan 8.250 nan 0.000 0.449 226 K N 0.476 120.889 120.400 0.021 0.000 2.202 226 K HA 0.335 4.656 4.320 0.002 0.000 0.264 226 K C -0.485 176.132 176.600 0.029 0.000 1.010 226 K CA -0.347 55.957 56.287 0.028 0.000 0.940 226 K CB 0.501 33.017 32.500 0.028 0.000 0.983 226 K HN 0.435 nan 8.250 nan 0.000 0.475 227 I N 2.727 123.319 120.570 0.036 0.000 2.563 227 I HA 0.103 4.274 4.170 0.002 0.000 0.276 227 I C 0.004 176.146 176.117 0.041 0.000 1.074 227 I CA -0.020 61.303 61.300 0.037 0.000 1.124 227 I CB 0.794 38.820 38.000 0.042 0.000 1.225 227 I HN 0.576 nan 8.210 nan 0.000 0.482 228 S N 3.648 119.367 115.700 0.033 0.000 2.404 228 S HA 0.072 4.543 4.470 0.002 0.000 0.223 228 S C 0.911 175.531 174.600 0.033 0.000 1.040 228 S CA 0.331 58.551 58.200 0.033 0.000 0.957 228 S CB 0.353 63.568 63.200 0.026 0.000 0.826 228 S HN 0.734 nan 8.310 nan 0.000 0.491 229 N N 0.170 118.886 118.700 0.028 0.000 2.381 229 N HA 0.280 5.021 4.740 0.002 0.000 0.294 229 N C 0.038 175.562 175.510 0.024 0.000 1.216 229 N CA -0.348 52.716 53.050 0.024 0.000 0.803 229 N CB 1.323 39.821 38.487 0.018 0.000 1.372 229 N HN -0.092 nan 8.380 nan 0.000 0.500 230 I N 1.441 122.024 120.570 0.021 0.000 2.830 230 I HA -0.021 4.150 4.170 0.002 0.000 0.263 230 I C 2.520 178.644 176.117 0.012 0.000 1.230 230 I CA 0.313 61.624 61.300 0.019 0.000 1.480 230 I CB -0.550 37.462 38.000 0.019 0.000 1.095 230 I HN 0.562 nan 8.210 nan 0.000 0.455 231 R N 1.839 122.344 120.500 0.009 0.000 2.113 231 R HA -0.278 4.063 4.340 0.002 0.000 0.244 231 R C 1.835 178.135 176.300 0.001 0.000 1.142 231 R CA 2.120 58.222 56.100 0.003 0.000 0.953 231 R CB -0.267 30.036 30.300 0.004 0.000 0.860 231 R HN 0.295 nan 8.270 nan 0.000 0.438 232 E N -0.394 119.809 120.200 0.005 0.000 2.333 232 E HA -0.173 4.178 4.350 0.002 0.000 0.200 232 E C 1.406 178.005 176.600 -0.002 0.000 1.010 232 E CA 1.641 58.043 56.400 0.003 0.000 0.841 232 E CB 0.026 29.733 29.700 0.011 0.000 0.757 232 E HN 0.391 nan 8.360 nan 0.000 0.508 233 M N -2.106 117.493 119.600 -0.001 0.000 2.447 233 M HA 0.208 4.689 4.480 0.002 0.000 0.255 233 M C 1.471 177.764 176.300 -0.013 0.000 1.289 233 M CA 0.042 55.337 55.300 -0.008 0.000 1.128 233 M CB 0.169 32.768 32.600 -0.001 0.000 1.540 233 M HN -0.043 nan 8.290 nan 0.000 0.557 234 L N 1.338 122.556 121.223 -0.007 0.000 2.040 234 L HA -0.286 4.055 4.340 0.002 0.000 0.228 234 L C -0.528 176.332 176.870 -0.016 0.000 1.092 234 L CA 2.186 57.021 54.840 -0.008 0.000 0.805 234 L CB -1.766 40.291 42.059 -0.004 0.000 0.905 234 L HN 0.216 nan 8.230 nan 0.000 0.443 235 P HA -0.119 nan 4.420 nan 0.000 0.216 235 P C 1.642 178.916 177.300 -0.043 0.000 1.153 235 P CA 2.056 65.139 63.100 -0.029 0.000 0.848 235 P CB -0.195 31.488 31.700 -0.029 0.000 0.787 236 V N -3.157 116.725 119.914 -0.054 0.000 2.788 236 V HA -0.073 4.048 4.120 0.002 0.000 0.251 236 V C 2.436 178.489 176.094 -0.068 0.000 1.068 236 V CA 0.806 63.056 62.300 -0.084 0.000 1.090 236 V CB -1.733 30.026 31.823 -0.107 0.000 0.710 236 V HN -0.093 nan 8.190 nan 0.000 0.467 237 L N 1.099 122.299 121.223 -0.039 0.000 2.027 237 L HA -0.059 4.282 4.340 0.002 0.000 0.206 237 L C 2.571 179.433 176.870 -0.013 0.000 1.074 237 L CA 2.475 57.303 54.840 -0.020 0.000 0.745 237 L CB -0.817 41.236 42.059 -0.009 0.000 0.898 237 L HN 0.478 nan 8.230 nan 0.000 0.433 238 E N -0.921 119.270 120.200 -0.015 0.000 2.150 238 E HA -0.190 4.161 4.350 0.002 0.000 0.193 238 E C 2.077 178.669 176.600 -0.014 0.000 0.985 238 E CA 0.850 57.244 56.400 -0.010 0.000 0.814 238 E CB -0.071 29.624 29.700 -0.009 0.000 0.752 238 E HN 0.622 nan 8.360 nan 0.000 0.466 239 A N 0.777 123.577 122.820 -0.032 0.000 1.883 239 A HA -0.185 4.136 4.320 0.002 0.000 0.217 239 A C 2.417 179.985 177.584 -0.027 0.000 1.186 239 A CA 1.913 53.923 52.037 -0.044 0.000 0.624 239 A CB -0.983 17.966 19.000 -0.085 0.000 0.822 239 A HN 0.311 nan 8.150 nan 0.000 0.444 240 V N -2.752 117.147 119.914 -0.026 0.000 2.626 240 V HA 0.069 4.190 4.120 0.002 0.000 0.252 240 V C 2.388 178.520 176.094 0.063 0.000 1.067 240 V CA 1.702 64.033 62.300 0.052 0.000 1.081 240 V CB -1.246 30.633 31.823 0.093 0.000 0.686 240 V HN 0.516 nan 8.190 nan 0.000 0.468 241 A N 0.178 123.017 122.820 0.031 0.000 2.119 241 A HA 0.002 4.323 4.320 0.002 0.000 0.217 241 A C 2.275 179.874 177.584 0.024 0.000 1.153 241 A CA 1.553 53.605 52.037 0.026 0.000 0.692 241 A CB -0.359 18.651 19.000 0.015 0.000 0.799 241 A HN 0.630 nan 8.150 nan 0.000 0.458 242 K N -0.891 119.523 120.400 0.022 0.000 2.242 242 K HA 0.246 4.567 4.320 0.002 0.000 0.200 242 K C 2.024 178.644 176.600 0.034 0.000 1.050 242 K CA 0.722 57.022 56.287 0.021 0.000 0.981 242 K CB 0.046 32.552 32.500 0.010 0.000 0.795 242 K HN 0.359 nan 8.250 nan 0.000 0.477 243 A N 0.713 123.566 122.820 0.056 0.000 2.030 243 A HA 0.209 4.530 4.320 0.002 0.000 0.215 243 A C 1.159 178.802 177.584 0.098 0.000 1.164 243 A CA 0.936 53.027 52.037 0.090 0.000 0.697 243 A CB -0.069 19.015 19.000 0.141 0.000 0.827 243 A HN 0.334 nan 8.150 nan 0.000 0.457 244 G N -0.507 108.347 108.800 0.090 0.000 2.467 244 G HA2 -0.127 3.834 3.960 0.002 0.000 0.242 244 G HA3 -0.127 3.834 3.960 0.002 0.000 0.242 244 G C -0.346 174.586 174.900 0.053 0.000 1.127 244 G CA 0.218 45.353 45.100 0.058 0.000 0.924 244 G HN 0.534 nan 8.290 nan 0.000 0.499 245 K N -0.251 120.205 120.400 0.093 0.000 2.508 245 K HA 0.519 4.840 4.320 0.002 0.000 0.260 245 K C -2.665 173.983 176.600 0.080 0.000 0.949 245 K CA -2.058 54.258 56.287 0.047 0.000 0.834 245 K CB 2.772 35.245 32.500 -0.045 0.000 1.365 245 K HN 0.025 nan 8.250 nan 0.000 0.437 246 P HA 0.046 nan 4.420 nan 0.000 0.270 246 P C -1.170 176.174 177.300 0.073 0.000 1.227 246 P CA -0.484 62.633 63.100 0.028 0.000 0.788 246 P CB 0.485 32.180 31.700 -0.008 0.000 0.926 247 L N 2.354 123.603 121.223 0.043 0.000 2.439 247 L HA 0.417 4.758 4.340 0.002 0.000 0.270 247 L C -1.678 175.185 176.870 -0.012 0.000 0.972 247 L CA -0.751 54.125 54.840 0.060 0.000 0.836 247 L CB 1.574 43.667 42.059 0.057 0.000 1.255 247 L HN 0.269 nan 8.230 nan 0.000 0.404 248 L N 6.665 127.895 121.223 0.011 0.000 2.287 248 L HA 0.503 4.844 4.340 0.002 0.000 0.287 248 L C -0.602 176.275 176.870 0.012 0.000 1.022 248 L CA -0.382 54.451 54.840 -0.013 0.000 0.814 248 L CB 1.514 43.583 42.059 0.016 0.000 1.217 248 L HN 0.584 nan 8.230 nan 0.000 0.420 249 I N 6.363 126.926 120.570 -0.013 0.000 2.312 249 I HA 0.303 4.474 4.170 0.002 0.000 0.291 249 I C 0.112 176.267 176.117 0.063 0.000 1.031 249 I CA -0.254 61.057 61.300 0.018 0.000 1.293 249 I CB 1.234 39.234 38.000 -0.001 0.000 1.403 249 I HN 0.432 nan 8.210 nan 0.000 0.484 250 I N 6.531 127.146 120.570 0.074 0.000 2.312 250 I HA 0.653 4.824 4.170 0.002 0.000 0.290 250 I C 0.223 176.362 176.117 0.037 0.000 1.008 250 I CA -0.092 61.258 61.300 0.084 0.000 1.226 250 I CB 1.264 39.316 38.000 0.088 0.000 1.371 250 I HN 0.676 nan 8.210 nan 0.000 0.468 251 A N 4.996 127.839 122.820 0.038 0.000 2.583 251 A HA 0.490 4.811 4.320 0.002 0.000 0.289 251 A C 0.331 177.928 177.584 0.022 0.000 1.151 251 A CA -0.573 51.480 52.037 0.026 0.000 0.695 251 A CB 1.273 20.298 19.000 0.042 0.000 1.290 251 A HN 0.698 nan 8.150 nan 0.000 0.419 252 E N -0.180 120.033 120.200 0.020 0.000 2.208 252 E HA 0.010 4.361 4.350 0.002 0.000 0.193 252 E C -0.431 176.195 176.600 0.042 0.000 0.988 252 E CA 0.973 57.389 56.400 0.027 0.000 0.828 252 E CB 0.234 29.949 29.700 0.025 0.000 0.763 252 E HN 0.543 nan 8.360 nan 0.000 0.478 253 D N -1.501 118.928 120.400 0.049 0.000 2.764 253 D HA 0.203 4.844 4.640 0.002 0.000 0.293 253 D C -1.785 174.556 176.300 0.069 0.000 1.287 253 D CA -0.451 53.585 54.000 0.060 0.000 0.768 253 D CB 2.320 43.151 40.800 0.051 0.000 1.288 253 D HN -0.236 nan 8.370 nan 0.000 0.426 254 V N 1.575 121.539 119.914 0.084 0.000 2.655 254 V HA 0.433 4.554 4.120 0.002 0.000 0.301 254 V C -0.456 175.691 176.094 0.088 0.000 1.082 254 V CA -0.710 61.646 62.300 0.092 0.000 0.899 254 V CB 1.766 33.666 31.823 0.129 0.000 1.014 254 V HN 0.445 nan 8.190 nan 0.000 0.429 255 E N 2.256 122.498 120.200 0.071 0.000 2.469 255 E HA 0.612 4.963 4.350 0.002 0.000 0.246 255 E C 1.343 177.978 176.600 0.058 0.000 0.969 255 E CA -0.188 56.247 56.400 0.058 0.000 0.881 255 E CB 0.739 30.465 29.700 0.044 0.000 1.320 255 E HN 0.652 nan 8.360 nan 0.000 0.421 256 G N -0.310 108.517 108.800 0.046 0.000 2.882 256 G HA2 -0.169 3.792 3.960 0.002 0.000 0.206 256 G HA3 -0.169 3.792 3.960 0.002 0.000 0.206 256 G C 0.832 175.757 174.900 0.040 0.000 1.155 256 G CA 0.570 45.696 45.100 0.043 0.000 0.800 256 G HN 0.453 nan 8.290 nan 0.000 0.524 257 E N -0.886 119.339 120.200 0.042 0.000 2.357 257 E HA 0.302 4.653 4.350 0.002 0.000 0.202 257 E C 2.566 179.195 176.600 0.049 0.000 0.855 257 E CA 0.481 56.904 56.400 0.039 0.000 1.048 257 E CB 0.003 29.720 29.700 0.029 0.000 1.037 257 E HN 0.159 nan 8.360 nan 0.000 0.499 258 A N 1.875 124.728 122.820 0.055 0.000 1.851 258 A HA -0.184 4.137 4.320 0.002 0.000 0.216 258 A C 2.178 179.822 177.584 0.101 0.000 1.195 258 A CA 1.474 53.551 52.037 0.067 0.000 0.622 258 A CB -0.950 18.088 19.000 0.062 0.000 0.831 258 A HN 0.391 nan 8.150 nan 0.000 0.444 259 L N -0.751 120.544 121.223 0.120 0.000 2.046 259 L HA -0.152 4.189 4.340 0.002 0.000 0.208 259 L C 2.820 179.778 176.870 0.147 0.000 1.077 259 L CA 1.681 56.625 54.840 0.174 0.000 0.747 259 L CB -0.369 41.780 42.059 0.151 0.000 0.896 259 L HN 0.405 nan 8.230 nan 0.000 0.432 260 A N -0.508 122.367 122.820 0.092 0.000 1.883 260 A HA -0.253 4.068 4.320 0.002 0.000 0.217 260 A C 2.358 179.978 177.584 0.061 0.000 1.186 260 A CA 2.467 54.542 52.037 0.064 0.000 0.624 260 A CB -1.287 17.738 19.000 0.041 0.000 0.822 260 A HN 0.619 nan 8.150 nan 0.000 0.444 261 T N -1.532 113.060 114.554 0.063 0.000 2.904 261 T HA -0.003 4.348 4.350 0.002 0.000 0.267 261 T C 1.818 176.564 174.700 0.078 0.000 1.059 261 T CA 1.285 63.417 62.100 0.053 0.000 1.137 261 T CB -0.536 68.356 68.868 0.041 0.000 0.879 261 T HN 0.277 nan 8.240 nan 0.000 0.467 262 L N 0.655 121.952 121.223 0.123 0.000 2.046 262 L HA -0.044 4.297 4.340 0.002 0.000 0.208 262 L C 2.945 179.970 176.870 0.258 0.000 1.077 262 L CA 0.812 55.760 54.840 0.180 0.000 0.747 262 L CB -0.690 41.508 42.059 0.231 0.000 0.896 262 L HN 0.153 nan 8.230 nan 0.000 0.432 263 V N -0.702 119.354 119.914 0.237 0.000 2.295 263 V HA -0.254 3.867 4.120 0.002 0.000 0.246 263 V C 2.415 178.526 176.094 0.028 0.000 1.049 263 V CA 1.597 63.984 62.300 0.145 0.000 1.024 263 V CB -0.194 31.671 31.823 0.069 0.000 0.648 263 V HN 0.191 nan 8.190 nan 0.000 0.447 264 V N 0.697 120.615 119.914 0.008 0.000 2.469 264 V HA -0.245 3.877 4.120 0.002 0.000 0.251 264 V C 2.325 178.420 176.094 0.002 0.000 1.064 264 V CA 2.270 64.557 62.300 -0.022 0.000 1.066 264 V CB -0.874 30.940 31.823 -0.014 0.000 0.667 264 V HN 0.611 nan 8.190 nan 0.000 0.461 265 N N 0.012 118.734 118.700 0.037 0.000 2.409 265 N HA -0.109 4.632 4.740 0.002 0.000 0.179 265 N C 1.827 177.367 175.510 0.049 0.000 1.032 265 N CA 1.728 54.801 53.050 0.038 0.000 0.898 265 N CB -0.002 38.511 38.487 0.044 0.000 0.971 265 N HN 0.706 nan 8.380 nan 0.000 0.441 266 T N -1.322 113.283 114.554 0.084 0.000 2.818 266 T HA 0.044 4.395 4.350 0.002 0.000 0.246 266 T C 1.270 176.006 174.700 0.060 0.000 1.036 266 T CA 0.167 62.331 62.100 0.107 0.000 1.160 266 T CB -0.553 68.458 68.868 0.238 0.000 0.869 266 T HN 0.233 nan 8.240 nan 0.000 0.419 267 M N 1.768 121.381 119.600 0.021 0.000 2.350 267 M HA 0.454 4.935 4.480 0.002 0.000 0.338 267 M C 0.871 177.143 176.300 -0.047 0.000 1.559 267 M CA -0.087 55.193 55.300 -0.033 0.000 1.217 267 M CB 0.171 32.668 32.600 -0.171 0.000 1.808 267 M HN 0.538 nan 8.290 nan 0.000 0.458 268 R N 2.101 122.589 120.500 -0.019 0.000 4.021 268 R HA -0.156 4.185 4.340 0.002 0.000 0.448 268 R C 0.445 176.736 176.300 -0.014 0.000 0.916 268 R CA 1.407 57.496 56.100 -0.019 0.000 1.618 268 R CB -1.872 28.410 30.300 -0.030 0.000 2.271 268 R HN 1.066 nan 8.270 nan 0.000 0.507 269 G N -0.027 108.766 108.800 -0.012 0.000 2.631 269 G HA2 0.330 4.292 3.960 0.002 0.000 0.271 269 G HA3 0.330 4.292 3.960 0.002 0.000 0.271 269 G C 1.106 176.010 174.900 0.006 0.000 1.302 269 G CA -0.001 45.097 45.100 -0.003 0.000 1.002 269 G HN 0.157 nan 8.290 nan 0.000 0.519 270 I N -0.748 119.827 120.570 0.008 0.000 2.130 270 I HA -0.055 4.116 4.170 0.002 0.000 0.232 270 I C 0.741 176.867 176.117 0.015 0.000 1.064 270 I CA 0.762 62.068 61.300 0.009 0.000 1.338 270 I CB -0.551 37.454 38.000 0.008 0.000 1.084 270 I HN -0.025 nan 8.210 nan 0.000 0.404 271 V N 2.183 122.108 119.914 0.019 0.000 2.461 271 V HA 0.144 4.265 4.120 0.002 0.000 0.275 271 V C -0.153 175.955 176.094 0.023 0.000 1.047 271 V CA -0.687 61.625 62.300 0.019 0.000 0.955 271 V CB 0.848 32.682 31.823 0.019 0.000 0.988 271 V HN 0.177 nan 8.190 nan 0.000 0.471 272 K N 4.386 124.796 120.400 0.017 0.000 2.349 272 K HA 0.542 4.863 4.320 0.002 0.000 0.288 272 K C -0.382 176.208 176.600 -0.016 0.000 1.058 272 K CA 0.083 56.377 56.287 0.012 0.000 0.953 272 K CB 0.917 33.423 32.500 0.009 0.000 0.997 272 K HN 0.711 nan 8.250 nan 0.000 0.477 273 V N -1.006 118.874 119.914 -0.057 0.000 3.216 273 V HA 0.967 5.088 4.120 0.002 0.000 0.302 273 V C -1.193 174.653 176.094 -0.414 0.000 1.286 273 V CA -1.104 61.103 62.300 -0.154 0.000 1.048 273 V CB 1.870 33.622 31.823 -0.119 0.000 1.081 273 V HN 0.686 nan 8.190 nan 0.000 0.442 274 A N 0.612 123.090 122.820 -0.571 0.000 2.599 274 A HA 1.105 5.426 4.320 0.002 0.000 0.290 274 A C -0.577 176.613 177.584 -0.657 0.000 1.101 274 A CA -0.359 51.038 52.037 -1.067 0.000 0.674 274 A CB 1.487 20.210 19.000 -0.462 0.000 1.277 274 A HN 2.748 nan 8.150 nan 0.000 0.419 275 A N -0.277 122.247 122.820 -0.494 0.000 2.449 275 A HA 0.866 5.187 4.320 0.002 0.000 0.302 275 A C -0.633 177.064 177.584 0.189 0.000 1.048 275 A CA -0.018 52.010 52.037 -0.015 0.000 0.708 275 A CB 1.399 20.461 19.000 0.103 0.000 1.274 275 A HN 2.374 nan 8.150 nan 0.000 0.410 276 V N -1.059 118.961 119.914 0.176 0.000 3.049 276 V HA 0.652 4.773 4.120 0.002 0.000 0.309 276 V C -0.682 175.536 176.094 0.206 0.000 1.148 276 V CA -1.139 61.294 62.300 0.223 0.000 0.990 276 V CB 1.748 33.729 31.823 0.263 0.000 1.039 276 V HN 0.821 nan 8.190 nan 0.000 0.430 277 K N 2.560 123.079 120.400 0.198 0.000 2.297 277 K HA 0.686 5.008 4.320 0.002 0.000 0.286 277 K C 0.506 177.153 176.600 0.078 0.000 1.053 277 K CA 0.231 56.595 56.287 0.128 0.000 0.940 277 K CB 1.455 34.018 32.500 0.104 0.000 1.019 277 K HN 1.133 nan 8.250 nan 0.000 0.475 278 A N 5.535 128.320 122.820 -0.057 0.000 2.507 278 A HA 0.169 4.490 4.320 0.002 0.000 0.235 278 A C -2.011 175.347 177.584 -0.377 0.000 1.070 278 A CA -0.887 50.977 52.037 -0.287 0.000 0.768 278 A CB -0.397 18.503 19.000 -0.168 0.000 1.011 278 A HN 0.498 nan 8.150 nan 0.000 0.502 279 P HA 0.460 nan 4.420 nan 0.000 0.274 279 P C 0.638 177.843 177.300 -0.159 0.000 1.237 279 P CA 1.264 64.145 63.100 -0.365 0.000 0.793 279 P CB 0.782 32.216 31.700 -0.444 0.000 0.977 280 G N 1.174 109.964 108.800 -0.017 0.000 2.568 280 G HA2 0.064 4.025 3.960 0.002 0.000 0.222 280 G HA3 0.064 4.025 3.960 0.002 0.000 0.222 280 G C -1.003 174.010 174.900 0.188 0.000 1.321 280 G CA -0.077 45.042 45.100 0.032 0.000 0.893 280 G HN 0.823 nan 8.290 nan 0.000 0.569 281 F N -3.138 116.809 119.950 -0.005 0.000 2.725 281 F HA 0.639 5.167 4.527 0.002 0.000 0.311 281 F C 0.955 176.757 175.800 0.004 0.000 1.121 281 F CA 0.429 58.430 58.000 0.002 0.000 0.978 281 F CB 0.603 39.614 39.000 0.018 0.000 1.274 281 F HN 2.490 nan 8.300 nan 0.000 0.440 282 G N 2.379 111.236 108.800 0.095 0.000 2.651 282 G HA2 -0.426 3.535 3.960 0.002 0.000 0.315 282 G HA3 -0.426 3.535 3.960 0.002 0.000 0.315 282 G C 0.388 175.232 174.900 -0.093 0.000 1.258 282 G CA 1.162 46.290 45.100 0.047 0.000 1.002 282 G HN 1.014 nan 8.290 nan 0.000 0.551 283 D N 0.459 120.793 120.400 -0.110 0.000 2.144 283 D HA 0.045 4.686 4.640 0.002 0.000 0.199 283 D C 2.529 178.698 176.300 -0.217 0.000 0.984 283 D CA 1.438 55.363 54.000 -0.125 0.000 0.834 283 D CB -0.094 40.660 40.800 -0.076 0.000 0.955 283 D HN 0.306 nan 8.370 nan 0.000 0.465 284 R N 0.623 120.866 120.500 -0.429 0.000 2.193 284 R HA -0.030 4.311 4.340 0.002 0.000 0.229 284 R C 2.020 178.118 176.300 -0.336 0.000 1.110 284 R CA 0.695 56.513 56.100 -0.470 0.000 0.988 284 R CB -0.424 29.350 30.300 -0.878 0.000 0.871 284 R HN 0.343 nan 8.270 nan 0.000 0.458 285 R N 0.702 121.029 120.500 -0.289 0.000 2.115 285 R HA -0.073 4.268 4.340 0.002 0.000 0.230 285 R C 1.153 177.379 176.300 -0.124 0.000 1.111 285 R CA 1.058 57.055 56.100 -0.171 0.000 0.976 285 R CB -0.166 30.066 30.300 -0.114 0.000 0.870 285 R HN -0.045 nan 8.270 nan 0.000 0.445 286 K N 1.301 121.634 120.400 -0.111 0.000 2.015 286 K HA -0.155 4.166 4.320 0.002 0.000 0.216 286 K C 2.221 178.777 176.600 -0.074 0.000 1.052 286 K CA 2.062 58.302 56.287 -0.079 0.000 0.937 286 K CB -0.714 31.744 32.500 -0.070 0.000 0.719 286 K HN 0.365 nan 8.250 nan 0.000 0.446 287 A N 1.256 124.026 122.820 -0.084 0.000 1.898 287 A HA -0.102 4.219 4.320 0.002 0.000 0.216 287 A C 2.305 179.847 177.584 -0.069 0.000 1.181 287 A CA 1.401 53.397 52.037 -0.068 0.000 0.620 287 A CB -0.332 18.626 19.000 -0.070 0.000 0.819 287 A HN 0.177 nan 8.150 nan 0.000 0.442 288 M N -1.256 118.289 119.600 -0.092 0.000 2.086 288 M HA -0.132 4.349 4.480 0.002 0.000 0.261 288 M C 2.226 178.474 176.300 -0.087 0.000 1.067 288 M CA 1.411 56.656 55.300 -0.093 0.000 1.116 288 M CB -0.852 31.673 32.600 -0.125 0.000 1.348 288 M HN 0.460 nan 8.290 nan 0.000 0.407 289 L N 0.342 121.513 121.223 -0.088 0.000 2.141 289 L HA -0.174 4.168 4.340 0.002 0.000 0.209 289 L C 2.407 179.253 176.870 -0.040 0.000 1.094 289 L CA 1.665 56.463 54.840 -0.070 0.000 0.763 289 L CB -0.599 41.420 42.059 -0.066 0.000 0.908 289 L HN 0.258 nan 8.230 nan 0.000 0.437 290 Q N -0.545 119.232 119.800 -0.038 0.000 2.230 290 Q HA -0.154 4.187 4.340 0.002 0.000 0.202 290 Q C 1.651 177.641 176.000 -0.017 0.000 0.963 290 Q CA 1.414 57.203 55.803 -0.024 0.000 0.866 290 Q CB -0.165 28.558 28.738 -0.026 0.000 0.931 290 Q HN 0.500 nan 8.270 nan 0.000 0.452 291 D N -0.052 120.335 120.400 -0.021 0.000 2.104 291 D HA -0.162 4.479 4.640 0.002 0.000 0.194 291 D C 1.778 178.082 176.300 0.005 0.000 0.994 291 D CA 1.413 55.407 54.000 -0.009 0.000 0.830 291 D CB -0.181 40.612 40.800 -0.012 0.000 0.959 291 D HN 0.376 nan 8.370 nan 0.000 0.452 292 I N 1.191 121.764 120.570 0.006 0.000 2.226 292 I HA -0.236 3.935 4.170 0.002 0.000 0.245 292 I C 2.533 178.666 176.117 0.027 0.000 1.100 292 I CA 0.987 62.304 61.300 0.028 0.000 1.374 292 I CB -0.293 37.727 38.000 0.033 0.000 1.057 292 I HN -0.082 nan 8.210 nan 0.000 0.413 293 A N 0.795 123.624 122.820 0.014 0.000 1.883 293 A HA -0.210 4.111 4.320 0.002 0.000 0.217 293 A C 2.398 179.992 177.584 0.017 0.000 1.186 293 A CA 2.593 54.639 52.037 0.015 0.000 0.624 293 A CB -1.160 17.843 19.000 0.004 0.000 0.822 293 A HN 0.428 nan 8.150 nan 0.000 0.444 294 T N -0.013 114.548 114.554 0.011 0.000 2.857 294 T HA -0.084 4.267 4.350 0.002 0.000 0.266 294 T C 1.813 176.522 174.700 0.015 0.000 1.048 294 T CA 1.282 63.388 62.100 0.010 0.000 1.139 294 T CB -0.350 68.520 68.868 0.005 0.000 0.874 294 T HN 0.321 nan 8.240 nan 0.000 0.455 295 L N 2.273 123.508 121.223 0.019 0.000 2.017 295 L HA -0.075 4.266 4.340 0.002 0.000 0.208 295 L C 2.444 179.330 176.870 0.027 0.000 1.073 295 L CA 2.299 57.154 54.840 0.024 0.000 0.745 295 L CB -1.088 40.990 42.059 0.031 0.000 0.894 295 L HN 0.414 nan 8.230 nan 0.000 0.432 296 T N -3.955 110.620 114.554 0.035 0.000 3.060 296 T HA 0.371 4.722 4.350 0.002 0.000 0.249 296 T C 1.254 175.983 174.700 0.047 0.000 1.079 296 T CA 0.227 62.352 62.100 0.042 0.000 1.013 296 T CB -0.146 68.756 68.868 0.055 0.000 0.975 296 T HN 0.756 nan 8.240 nan 0.000 0.518 297 G N 0.362 109.186 108.800 0.039 0.000 2.204 297 G HA2 0.121 4.082 3.960 0.002 0.000 0.244 297 G HA3 0.121 4.082 3.960 0.002 0.000 0.244 297 G C 0.285 175.214 174.900 0.048 0.000 1.062 297 G CA -0.193 44.932 45.100 0.041 0.000 0.798 297 G HN 1.013 nan 8.290 nan 0.000 0.496 298 G N -1.611 107.212 108.800 0.039 0.000 3.119 298 G HA2 0.917 4.878 3.960 0.002 0.000 0.206 298 G HA3 0.917 4.878 3.960 0.002 0.000 0.206 298 G C -0.441 174.468 174.900 0.015 0.000 1.313 298 G CA 0.294 45.412 45.100 0.030 0.000 1.010 298 G HN 0.865 nan 8.290 nan 0.000 0.578 299 T N -0.290 114.268 114.554 0.007 0.000 2.916 299 T HA 0.468 4.819 4.350 0.002 0.000 0.305 299 T C -0.215 174.483 174.700 -0.004 0.000 1.119 299 T CA -0.413 61.686 62.100 -0.001 0.000 1.008 299 T CB 1.568 70.432 68.868 -0.005 0.000 1.129 299 T HN 1.095 nan 8.240 nan 0.000 0.480 300 V N 0.690 120.598 119.914 -0.009 0.000 2.450 300 V HA 0.330 4.451 4.120 0.002 0.000 0.281 300 V C 0.149 176.235 176.094 -0.013 0.000 1.019 300 V CA -0.264 62.028 62.300 -0.013 0.000 1.062 300 V CB -0.853 30.958 31.823 -0.020 0.000 0.979 300 V HN 0.740 nan 8.190 nan 0.000 0.477 301 I N 4.441 125.004 120.570 -0.012 0.000 2.280 301 I HA 0.111 4.282 4.170 0.002 0.000 0.287 301 I C 1.136 177.245 176.117 -0.012 0.000 1.121 301 I CA 0.921 62.214 61.300 -0.012 0.000 1.798 301 I CB -0.502 37.491 38.000 -0.012 0.000 1.489 301 I HN 0.647 nan 8.210 nan 0.000 0.805 302 S N 3.382 119.074 115.700 -0.013 0.000 3.065 302 S HA 0.078 4.549 4.470 0.002 0.000 0.311 302 S C 1.386 175.980 174.600 -0.011 0.000 1.204 302 S CA -0.296 57.896 58.200 -0.014 0.000 1.040 302 S CB -0.267 62.922 63.200 -0.017 0.000 1.436 302 S HN 0.520 nan 8.310 nan 0.000 0.532 303 E N 1.958 122.152 120.200 -0.009 0.000 2.401 303 E HA -0.183 4.168 4.350 0.002 0.000 0.199 303 E C 1.306 177.903 176.600 -0.006 0.000 1.023 303 E CA 0.617 57.014 56.400 -0.006 0.000 0.859 303 E CB 0.046 29.744 29.700 -0.004 0.000 0.780 303 E HN 0.701 nan 8.360 nan 0.000 0.523 304 E N 0.508 120.703 120.200 -0.007 0.000 2.273 304 E HA -0.177 4.174 4.350 0.002 0.000 0.198 304 E C 1.609 178.204 176.600 -0.007 0.000 1.002 304 E CA 0.720 57.116 56.400 -0.007 0.000 0.828 304 E CB -0.082 29.612 29.700 -0.009 0.000 0.747 304 E HN 0.368 nan 8.360 nan 0.000 0.491 305 I N -0.431 120.134 120.570 -0.008 0.000 3.684 305 I HA 0.042 4.213 4.170 0.002 0.000 0.304 305 I C 1.462 177.575 176.117 -0.006 0.000 1.278 305 I CA 0.382 61.678 61.300 -0.008 0.000 1.272 305 I CB 0.146 38.141 38.000 -0.009 0.000 1.029 305 I HN 0.224 nan 8.210 nan 0.000 0.458 306 G N 1.786 110.583 108.800 -0.005 0.000 2.199 306 G HA2 -0.309 3.652 3.960 0.002 0.000 0.254 306 G HA3 -0.309 3.652 3.960 0.002 0.000 0.254 306 G C 0.553 175.450 174.900 -0.005 0.000 0.982 306 G CA 0.346 45.443 45.100 -0.005 0.000 0.632 306 G HN 0.448 nan 8.290 nan 0.000 0.529 307 M N -0.524 119.072 119.600 -0.006 0.000 2.113 307 M HA 0.762 5.243 4.480 0.002 0.000 0.288 307 M C 0.084 176.380 176.300 -0.007 0.000 1.225 307 M CA 0.354 55.649 55.300 -0.007 0.000 1.148 307 M CB 0.801 33.396 32.600 -0.009 0.000 1.388 307 M HN 0.197 nan 8.290 nan 0.000 0.469 308 E N 0.156 120.351 120.200 -0.008 0.000 2.352 308 E HA 0.275 4.627 4.350 0.002 0.000 0.280 308 E C -0.248 176.346 176.600 -0.010 0.000 0.930 308 E CA -0.637 55.759 56.400 -0.007 0.000 0.765 308 E CB 1.981 31.677 29.700 -0.005 0.000 1.219 308 E HN 0.966 nan 8.360 nan 0.000 0.434 309 L N 2.483 123.701 121.223 -0.009 0.000 2.187 309 L HA -0.167 4.175 4.340 0.002 0.000 0.213 309 L C 2.268 179.129 176.870 -0.015 0.000 1.100 309 L CA 1.314 56.147 54.840 -0.012 0.000 0.765 309 L CB -0.204 41.850 42.059 -0.008 0.000 0.904 309 L HN 0.715 nan 8.230 nan 0.000 0.437 310 E N 0.692 120.885 120.200 -0.012 0.000 2.160 310 E HA -0.245 4.106 4.350 0.002 0.000 0.195 310 E C 1.243 177.833 176.600 -0.017 0.000 0.991 310 E CA 1.233 57.625 56.400 -0.013 0.000 0.810 310 E CB 0.217 29.911 29.700 -0.009 0.000 0.742 310 E HN 0.351 nan 8.360 nan 0.000 0.466 311 K N -0.093 120.297 120.400 -0.016 0.000 2.410 311 K HA 0.237 4.558 4.320 0.002 0.000 0.200 311 K C -0.065 176.522 176.600 -0.022 0.000 1.023 311 K CA 0.034 56.311 56.287 -0.018 0.000 1.149 311 K CB 1.180 33.672 32.500 -0.014 0.000 0.859 311 K HN 0.073 nan 8.250 nan 0.000 0.514 312 A N 0.058 122.862 122.820 -0.027 0.000 2.246 312 A HA 0.701 5.022 4.320 0.002 0.000 0.291 312 A C 0.070 177.625 177.584 -0.048 0.000 1.103 312 A CA -0.086 51.930 52.037 -0.035 0.000 0.844 312 A CB 0.736 19.715 19.000 -0.035 0.000 1.136 312 A HN 0.157 nan 8.150 nan 0.000 0.500 313 T N -0.715 113.802 114.554 -0.062 0.000 2.749 313 T HA 0.318 4.669 4.350 0.002 0.000 0.310 313 T C 0.438 175.067 174.700 -0.119 0.000 1.496 313 T CA -0.599 61.449 62.100 -0.087 0.000 1.006 313 T CB 0.731 69.559 68.868 -0.067 0.000 1.457 313 T HN 0.331 nan 8.240 nan 0.000 0.497 314 L N 1.547 122.659 121.223 -0.185 0.000 2.351 314 L HA -0.107 4.234 4.340 0.002 0.000 0.220 314 L C 2.536 179.320 176.870 -0.143 0.000 1.127 314 L CA 1.778 56.445 54.840 -0.287 0.000 0.786 314 L CB -0.883 40.907 42.059 -0.449 0.000 0.914 314 L HN 0.815 nan 8.230 nan 0.000 0.443 315 E N -1.017 119.137 120.200 -0.075 0.000 2.097 315 E HA -0.254 4.097 4.350 0.002 0.000 0.196 315 E C 1.070 177.660 176.600 -0.017 0.000 1.000 315 E CA 1.669 58.053 56.400 -0.027 0.000 0.804 315 E CB -0.417 29.270 29.700 -0.021 0.000 0.740 315 E HN 0.518 nan 8.360 nan 0.000 0.454 316 D N 0.370 120.751 120.400 -0.033 0.000 2.323 316 D HA 0.047 4.688 4.640 0.002 0.000 0.209 316 D C 0.149 176.442 176.300 -0.011 0.000 0.973 316 D CA 0.240 54.228 54.000 -0.019 0.000 0.874 316 D CB 0.159 40.943 40.800 -0.026 0.000 0.930 316 D HN 0.125 nan 8.370 nan 0.000 0.521 317 L N 1.156 122.362 121.223 -0.029 0.000 2.380 317 L HA 0.298 4.639 4.340 0.002 0.000 0.273 317 L C 1.322 178.248 176.870 0.093 0.000 1.138 317 L CA -0.098 54.746 54.840 0.006 0.000 0.832 317 L CB 1.086 43.093 42.059 -0.087 0.000 1.124 317 L HN -0.179 nan 8.230 nan 0.000 0.454 318 G N 2.334 111.203 108.800 0.114 0.000 2.572 318 G HA2 0.480 4.441 3.960 0.002 0.000 0.261 318 G HA3 0.480 4.441 3.960 0.002 0.000 0.261 318 G C -0.709 174.299 174.900 0.181 0.000 1.197 318 G CA -0.430 44.744 45.100 0.123 0.000 0.870 318 G HN 0.573 nan 8.290 nan 0.000 0.548 319 Q N -0.922 118.946 119.800 0.115 0.000 2.375 319 Q HA 0.599 4.940 4.340 0.002 0.000 0.271 319 Q C -0.694 175.315 176.000 0.015 0.000 1.074 319 Q CA -0.791 55.037 55.803 0.043 0.000 0.808 319 Q CB 2.538 31.271 28.738 -0.008 0.000 1.327 319 Q HN 0.712 nan 8.270 nan 0.000 0.441 320 A N 1.390 124.205 122.820 -0.010 0.000 2.401 320 A HA 0.399 4.720 4.320 0.002 0.000 0.310 320 A C 0.085 177.648 177.584 -0.036 0.000 1.075 320 A CA -0.629 51.401 52.037 -0.011 0.000 0.746 320 A CB 1.223 20.227 19.000 0.006 0.000 1.277 320 A HN 0.789 nan 8.150 nan 0.000 0.425 321 K N -0.071 120.311 120.400 -0.030 0.000 2.147 321 K HA -0.040 4.281 4.320 0.002 0.000 0.205 321 K C 0.650 177.227 176.600 -0.039 0.000 1.049 321 K CA 1.234 57.498 56.287 -0.038 0.000 0.936 321 K CB 0.083 32.567 32.500 -0.028 0.000 0.722 321 K HN 0.589 nan 8.250 nan 0.000 0.446 322 R N -0.481 120.001 120.500 -0.030 0.000 2.707 322 R HA 0.400 4.741 4.340 0.002 0.000 0.272 322 R C -1.997 174.289 176.300 -0.024 0.000 1.011 322 R CA -0.535 55.548 56.100 -0.029 0.000 0.893 322 R CB 2.648 32.933 30.300 -0.024 0.000 1.233 322 R HN -0.120 nan 8.270 nan 0.000 0.464 323 V N 3.517 123.417 119.914 -0.024 0.000 2.760 323 V HA 0.747 4.868 4.120 0.002 0.000 0.309 323 V C -1.359 174.722 176.094 -0.022 0.000 1.077 323 V CA -0.451 61.834 62.300 -0.024 0.000 0.910 323 V CB 2.088 33.901 31.823 -0.016 0.000 1.008 323 V HN 0.578 nan 8.190 nan 0.000 0.424 324 V N 4.766 124.664 119.914 -0.028 0.000 2.789 324 V HA 0.855 4.976 4.120 0.002 0.000 0.311 324 V C -1.173 174.913 176.094 -0.013 0.000 1.073 324 V CA -0.698 61.596 62.300 -0.010 0.000 0.921 324 V CB 1.875 33.697 31.823 -0.002 0.000 1.009 324 V HN 0.780 nan 8.190 nan 0.000 0.426 325 I N 4.415 125.008 120.570 0.039 0.000 2.656 325 I HA 0.627 4.798 4.170 0.002 0.000 0.292 325 I C -0.335 175.889 176.117 0.178 0.000 1.144 325 I CA -0.274 61.077 61.300 0.084 0.000 1.038 325 I CB 2.197 40.286 38.000 0.149 0.000 1.244 325 I HN 0.989 nan 8.210 nan 0.000 0.420 326 N N 4.487 123.265 118.700 0.131 0.000 3.002 326 N HA 0.347 5.088 4.740 0.002 0.000 0.331 326 N C 0.777 176.218 175.510 -0.115 0.000 1.384 326 N CA -0.794 52.346 53.050 0.149 0.000 0.780 326 N CB 0.715 39.236 38.487 0.056 0.000 1.492 326 N HN 0.572 nan 8.380 nan 0.000 0.608 327 K N -0.707 119.587 120.400 -0.176 0.000 2.206 327 K HA -0.256 4.065 4.320 0.002 0.000 0.211 327 K C -0.482 175.895 176.600 -0.371 0.000 1.047 327 K CA 2.899 58.964 56.287 -0.369 0.000 0.933 327 K CB -0.286 32.118 32.500 -0.161 0.000 0.721 327 K HN 0.804 nan 8.250 nan 0.000 0.471 328 D N -2.978 117.288 120.400 -0.225 0.000 2.619 328 D HA 0.107 4.748 4.640 0.002 0.000 0.300 328 D C -0.625 175.629 176.300 -0.078 0.000 1.502 328 D CA -0.405 53.511 54.000 -0.141 0.000 0.865 328 D CB 0.558 41.293 40.800 -0.109 0.000 1.343 328 D HN -0.035 nan 8.370 nan 0.000 0.447 329 T N -0.382 114.122 114.554 -0.083 0.000 2.942 329 T HA 0.611 4.962 4.350 0.002 0.000 0.327 329 T C -1.216 173.398 174.700 -0.143 0.000 1.360 329 T CA -0.406 61.646 62.100 -0.081 0.000 1.055 329 T CB 2.303 71.146 68.868 -0.041 0.000 1.261 329 T HN -0.116 nan 8.240 nan 0.000 0.485 330 T N 1.675 116.032 114.554 -0.329 0.000 2.887 330 T HA 0.794 5.145 4.350 0.002 0.000 0.288 330 T C -0.783 173.589 174.700 -0.547 0.000 1.021 330 T CA -0.572 61.234 62.100 -0.489 0.000 1.000 330 T CB 1.875 70.231 68.868 -0.854 0.000 1.034 330 T HN 0.612 nan 8.240 nan 0.000 0.467 331 T N 2.308 116.664 114.554 -0.330 0.000 3.105 331 T HA 0.601 4.952 4.350 0.002 0.000 0.321 331 T C -1.353 173.277 174.700 -0.117 0.000 1.135 331 T CA -0.725 61.245 62.100 -0.215 0.000 1.053 331 T CB 0.317 69.111 68.868 -0.124 0.000 1.133 331 T HN 0.611 nan 8.240 nan 0.000 0.463 332 I N 2.765 123.298 120.570 -0.062 0.000 2.404 332 I HA 0.735 4.906 4.170 0.002 0.000 0.293 332 I C -0.964 175.153 176.117 -0.001 0.000 0.992 332 I CA -1.114 60.179 61.300 -0.011 0.000 1.149 332 I CB 1.677 39.698 38.000 0.035 0.000 1.315 332 I HN 0.496 nan 8.210 nan 0.000 0.446 333 I N 4.443 125.009 120.570 -0.005 0.000 2.389 333 I HA 0.289 4.460 4.170 0.002 0.000 0.288 333 I C -0.705 175.410 176.117 -0.004 0.000 0.999 333 I CA -0.461 60.836 61.300 -0.006 0.000 1.129 333 I CB 1.496 39.488 38.000 -0.013 0.000 1.288 333 I HN 0.716 nan 8.210 nan 0.000 0.444 334 D N 5.211 125.612 120.400 0.001 0.000 3.861 334 D HA -0.143 4.498 4.640 0.002 0.000 0.222 334 D C 0.271 176.574 176.300 0.004 0.000 1.063 334 D CA 0.959 54.961 54.000 0.002 0.000 1.163 334 D CB 0.139 40.937 40.800 -0.004 0.000 0.765 334 D HN 0.789 nan 8.370 nan 0.000 0.383 335 G N 2.262 111.069 108.800 0.013 0.000 2.398 335 G HA2 0.358 4.319 3.960 0.002 0.000 0.246 335 G HA3 0.358 4.319 3.960 0.002 0.000 0.246 335 G C 1.008 175.915 174.900 0.013 0.000 1.289 335 G CA -0.444 44.666 45.100 0.018 0.000 0.869 335 G HN 0.544 nan 8.290 nan 0.000 0.543 336 V N 3.193 123.115 119.914 0.013 0.000 3.226 336 V HA 0.241 4.362 4.120 0.002 0.000 0.385 336 V C 1.538 177.643 176.094 0.019 0.000 1.268 336 V CA 0.146 62.452 62.300 0.010 0.000 1.443 336 V CB -0.868 30.956 31.823 0.002 0.000 1.290 336 V HN 0.758 nan 8.190 nan 0.000 0.490 337 G N 0.008 108.819 108.800 0.018 0.000 2.504 337 G HA2 0.428 4.389 3.960 0.002 0.000 0.288 337 G HA3 0.428 4.389 3.960 0.002 0.000 0.288 337 G C -0.233 174.675 174.900 0.012 0.000 1.182 337 G CA -0.486 44.624 45.100 0.017 0.000 0.894 337 G HN 0.317 nan 8.290 nan 0.000 0.521 338 E N 0.465 120.672 120.200 0.011 0.000 2.338 338 E HA 0.062 4.413 4.350 0.002 0.000 0.272 338 E C 0.773 177.377 176.600 0.006 0.000 1.029 338 E CA -0.409 55.996 56.400 0.008 0.000 0.872 338 E CB 1.451 31.155 29.700 0.007 0.000 1.015 338 E HN 0.460 nan 8.360 nan 0.000 0.417 339 E N 1.718 121.921 120.200 0.005 0.000 2.265 339 E HA -0.150 4.201 4.350 0.002 0.000 0.196 339 E C 1.622 178.224 176.600 0.003 0.000 0.996 339 E CA 0.845 57.248 56.400 0.004 0.000 0.832 339 E CB -0.165 29.536 29.700 0.003 0.000 0.756 339 E HN 0.563 nan 8.360 nan 0.000 0.491 340 A N 1.170 123.992 122.820 0.003 0.000 1.972 340 A HA -0.054 4.267 4.320 0.002 0.000 0.219 340 A C 2.327 179.912 177.584 0.003 0.000 1.169 340 A CA 1.875 53.914 52.037 0.003 0.000 0.635 340 A CB -0.289 18.713 19.000 0.003 0.000 0.810 340 A HN 0.273 nan 8.150 nan 0.000 0.446 341 A N -0.498 122.325 122.820 0.004 0.000 1.943 341 A HA 0.208 4.529 4.320 0.002 0.000 0.213 341 A C 2.045 179.632 177.584 0.005 0.000 1.181 341 A CA 0.940 52.980 52.037 0.004 0.000 0.653 341 A CB -0.354 18.650 19.000 0.006 0.000 0.833 341 A HN 0.437 nan 8.150 nan 0.000 0.451 342 I N -0.332 120.242 120.570 0.006 0.000 2.193 342 I HA -0.210 3.961 4.170 0.002 0.000 0.240 342 I C 2.460 178.580 176.117 0.005 0.000 1.084 342 I CA 0.996 62.300 61.300 0.007 0.000 1.365 342 I CB -0.377 37.628 38.000 0.008 0.000 1.064 342 I HN 0.251 nan 8.210 nan 0.000 0.410 343 Q N 0.896 120.698 119.800 0.004 0.000 2.167 343 Q HA -0.077 4.264 4.340 0.002 0.000 0.202 343 Q C 2.312 178.313 176.000 0.001 0.000 0.970 343 Q CA 1.576 57.381 55.803 0.002 0.000 0.855 343 Q CB -0.977 27.762 28.738 0.002 0.000 0.911 343 Q HN 0.588 nan 8.270 nan 0.000 0.438 344 G N 0.916 109.717 108.800 0.001 0.000 2.432 344 G HA2 -0.305 3.656 3.960 0.002 0.000 0.219 344 G HA3 -0.305 3.656 3.960 0.002 0.000 0.219 344 G C 1.715 176.615 174.900 -0.001 0.000 1.135 344 G CA 0.871 45.971 45.100 0.000 0.000 0.767 344 G HN 0.249 nan 8.290 nan 0.000 0.550 345 R N 0.192 120.692 120.500 0.000 0.000 2.073 345 R HA 0.064 4.405 4.340 0.002 0.000 0.229 345 R C 2.636 178.935 176.300 -0.002 0.000 1.120 345 R CA 1.112 57.211 56.100 -0.001 0.000 0.967 345 R CB -0.875 29.426 30.300 0.001 0.000 0.862 345 R HN 0.193 nan 8.270 nan 0.000 0.436 346 V N 0.959 120.873 119.914 0.000 0.000 2.324 346 V HA -0.276 3.845 4.120 0.002 0.000 0.250 346 V C 2.344 178.437 176.094 -0.002 0.000 1.060 346 V CA 2.073 64.372 62.300 -0.001 0.000 1.042 346 V CB -1.032 30.791 31.823 0.001 0.000 0.650 346 V HN 0.522 nan 8.190 nan 0.000 0.450 347 A N -0.941 121.878 122.820 -0.002 0.000 1.902 347 A HA -0.302 4.019 4.320 0.002 0.000 0.217 347 A C 2.180 179.762 177.584 -0.004 0.000 1.181 347 A CA 2.038 54.074 52.037 -0.003 0.000 0.623 347 A CB -0.517 18.481 19.000 -0.002 0.000 0.818 347 A HN 0.623 nan 8.150 nan 0.000 0.443 348 Q N -0.494 119.304 119.800 -0.005 0.000 2.096 348 Q HA -0.137 4.204 4.340 0.002 0.000 0.204 348 Q C 2.006 178.001 176.000 -0.009 0.000 0.982 348 Q CA 1.746 57.545 55.803 -0.006 0.000 0.850 348 Q CB -0.359 28.375 28.738 -0.007 0.000 0.901 348 Q HN 0.776 nan 8.270 nan 0.000 0.422 349 I N 0.109 120.673 120.570 -0.009 0.000 2.315 349 I HA -0.238 3.933 4.170 0.002 0.000 0.248 349 I C 2.269 178.380 176.117 -0.011 0.000 1.117 349 I CA 0.739 62.032 61.300 -0.012 0.000 1.404 349 I CB -0.245 37.748 38.000 -0.013 0.000 1.071 349 I HN 0.115 nan 8.210 nan 0.000 0.419 350 R N 0.649 121.144 120.500 -0.008 0.000 2.115 350 R HA -0.157 4.184 4.340 0.002 0.000 0.230 350 R C 2.171 178.468 176.300 -0.005 0.000 1.111 350 R CA 0.969 57.065 56.100 -0.006 0.000 0.976 350 R CB -0.642 29.655 30.300 -0.005 0.000 0.870 350 R HN 0.471 nan 8.270 nan 0.000 0.445 351 Q N 1.420 121.217 119.800 -0.005 0.000 2.050 351 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 351 Q C 1.682 177.679 176.000 -0.005 0.000 0.980 351 Q CA 1.615 57.415 55.803 -0.004 0.000 0.840 351 Q CB -0.009 28.726 28.738 -0.004 0.000 0.898 351 Q HN 0.413 nan 8.270 nan 0.000 0.424 352 Q N 0.003 119.799 119.800 -0.007 0.000 2.297 352 Q HA -0.087 4.254 4.340 0.002 0.000 0.208 352 Q C 2.120 178.117 176.000 -0.005 0.000 0.981 352 Q CA 1.123 56.922 55.803 -0.008 0.000 0.876 352 Q CB -0.103 28.628 28.738 -0.013 0.000 0.921 352 Q HN 0.452 nan 8.270 nan 0.000 0.446 353 I N 1.169 121.735 120.570 -0.006 0.000 2.493 353 I HA -0.256 3.915 4.170 0.002 0.000 0.254 353 I C 2.382 178.499 176.117 0.000 0.000 1.160 353 I CA 1.128 62.426 61.300 -0.004 0.000 1.445 353 I CB -0.414 37.583 38.000 -0.006 0.000 1.086 353 I HN 0.352 nan 8.210 nan 0.000 0.433 354 E N 1.103 121.303 120.200 0.000 0.000 2.268 354 E HA -0.251 4.101 4.350 0.002 0.000 0.195 354 E C 1.593 178.196 176.600 0.004 0.000 0.995 354 E CA 1.039 57.440 56.400 0.002 0.000 0.836 354 E CB -0.120 29.581 29.700 0.001 0.000 0.763 354 E HN 0.378 nan 8.360 nan 0.000 0.491 355 E N 0.325 120.528 120.200 0.005 0.000 2.347 355 E HA 0.009 4.360 4.350 0.002 0.000 0.196 355 E C 1.304 177.911 176.600 0.012 0.000 1.008 355 E CA 1.324 57.729 56.400 0.008 0.000 0.852 355 E CB -0.002 29.703 29.700 0.008 0.000 0.783 355 E HN 0.464 nan 8.360 nan 0.000 0.505 356 A N -1.200 121.627 122.820 0.012 0.000 4.414 356 A HA -0.374 3.947 4.320 0.002 0.000 0.259 356 A C 1.948 179.544 177.584 0.021 0.000 0.774 356 A CA 2.320 54.365 52.037 0.013 0.000 1.184 356 A CB -2.337 16.669 19.000 0.010 0.000 1.070 356 A HN 0.362 nan 8.150 nan 0.000 0.747 357 T N -0.646 113.923 114.554 0.024 0.000 3.014 357 T HA 0.229 4.580 4.350 0.002 0.000 0.263 357 T C 1.016 175.740 174.700 0.040 0.000 1.078 357 T CA 1.290 63.407 62.100 0.028 0.000 1.135 357 T CB 0.003 68.885 68.868 0.024 0.000 0.895 357 T HN 0.992 nan 8.240 nan 0.000 0.480 358 S N 1.278 117.010 115.700 0.053 0.000 2.411 358 S HA 0.141 4.612 4.470 0.002 0.000 0.294 358 S C 0.462 175.114 174.600 0.087 0.000 1.115 358 S CA -0.662 57.588 58.200 0.083 0.000 1.071 358 S CB 0.527 63.794 63.200 0.112 0.000 0.967 358 S HN 0.146 nan 8.310 nan 0.000 0.488 359 D N 3.206 123.658 120.400 0.087 0.000 2.149 359 D HA -0.120 4.521 4.640 0.002 0.000 0.198 359 D C 1.253 177.609 176.300 0.093 0.000 0.990 359 D CA 1.555 55.600 54.000 0.075 0.000 0.839 359 D CB -0.142 40.700 40.800 0.070 0.000 0.948 359 D HN 0.812 nan 8.370 nan 0.000 0.460 360 Y N 1.515 121.833 120.300 0.031 0.000 2.114 360 Y HA -0.205 4.346 4.550 0.002 0.000 0.284 360 Y C 1.729 177.660 175.900 0.050 0.000 1.143 360 Y CA 1.669 59.795 58.100 0.043 0.000 1.135 360 Y CB -0.078 38.413 38.460 0.052 0.000 0.980 360 Y HN -0.063 nan 8.280 nan 0.000 0.499 361 D N -0.311 120.172 120.400 0.139 0.000 2.178 361 D HA -0.160 4.481 4.640 0.002 0.000 0.202 361 D C 2.195 178.477 176.300 -0.030 0.000 0.974 361 D CA 0.892 54.918 54.000 0.044 0.000 0.841 361 D CB -0.253 40.623 40.800 0.127 0.000 0.953 361 D HN 0.387 nan 8.370 nan 0.000 0.478 362 R N 1.242 121.737 120.500 -0.008 0.000 2.083 362 R HA -0.159 4.182 4.340 0.002 0.000 0.237 362 R C 2.122 178.393 176.300 -0.049 0.000 1.137 362 R CA 1.319 57.408 56.100 -0.018 0.000 0.951 362 R CB -0.036 30.266 30.300 0.002 0.000 0.851 362 R HN 0.164 nan 8.270 nan 0.000 0.434 363 E N 0.247 120.399 120.200 -0.079 0.000 2.051 363 E HA -0.217 4.134 4.350 0.002 0.000 0.192 363 E C 1.730 178.249 176.600 -0.136 0.000 0.991 363 E CA 1.420 57.759 56.400 -0.102 0.000 0.799 363 E CB 0.145 29.776 29.700 -0.114 0.000 0.748 363 E HN 0.063 nan 8.360 nan 0.000 0.449 364 K N 0.337 120.603 120.400 -0.224 0.000 2.209 364 K HA -0.074 4.247 4.320 0.002 0.000 0.204 364 K C 1.968 178.509 176.600 -0.099 0.000 1.048 364 K CA 0.716 56.886 56.287 -0.195 0.000 0.940 364 K CB -0.156 32.169 32.500 -0.292 0.000 0.729 364 K HN 0.178 nan 8.250 nan 0.000 0.451 365 L N -0.144 121.033 121.223 -0.077 0.000 2.027 365 L HA -0.207 4.134 4.340 0.002 0.000 0.206 365 L C 2.474 179.322 176.870 -0.036 0.000 1.074 365 L CA 1.168 55.981 54.840 -0.046 0.000 0.745 365 L CB -0.293 41.746 42.059 -0.033 0.000 0.898 365 L HN 0.164 nan 8.230 nan 0.000 0.433 366 Q N 0.399 120.176 119.800 -0.037 0.000 2.084 366 Q HA -0.224 4.117 4.340 0.002 0.000 0.202 366 Q C 1.986 177.972 176.000 -0.024 0.000 0.978 366 Q CA 1.665 57.452 55.803 -0.026 0.000 0.844 366 Q CB -0.008 28.715 28.738 -0.025 0.000 0.898 366 Q HN 0.415 nan 8.270 nan 0.000 0.426 367 E N -0.457 119.723 120.200 -0.033 0.000 2.085 367 E HA -0.222 4.129 4.350 0.002 0.000 0.194 367 E C 2.134 178.728 176.600 -0.009 0.000 0.994 367 E CA 1.155 57.542 56.400 -0.022 0.000 0.801 367 E CB -0.098 29.582 29.700 -0.033 0.000 0.743 367 E HN 0.282 nan 8.360 nan 0.000 0.453 368 R N 0.286 120.776 120.500 -0.017 0.000 2.096 368 R HA -0.107 4.234 4.340 0.002 0.000 0.235 368 R C 2.442 178.741 176.300 -0.002 0.000 1.127 368 R CA 1.020 57.115 56.100 -0.008 0.000 0.968 368 R CB -0.265 30.022 30.300 -0.021 0.000 0.861 368 R HN 0.047 nan 8.270 nan 0.000 0.440 369 V N 0.963 120.873 119.914 -0.007 0.000 2.295 369 V HA -0.269 3.852 4.120 0.002 0.000 0.246 369 V C 2.439 178.535 176.094 0.002 0.000 1.049 369 V CA 2.048 64.347 62.300 -0.003 0.000 1.024 369 V CB -0.769 31.050 31.823 -0.006 0.000 0.648 369 V HN 0.423 nan 8.190 nan 0.000 0.447 370 A N -0.450 122.371 122.820 0.002 0.000 1.883 370 A HA -0.205 4.116 4.320 0.002 0.000 0.217 370 A C 2.181 179.773 177.584 0.014 0.000 1.186 370 A CA 1.648 53.689 52.037 0.006 0.000 0.624 370 A CB -0.420 18.582 19.000 0.003 0.000 0.822 370 A HN 0.399 nan 8.150 nan 0.000 0.444 371 K N -0.956 119.457 120.400 0.021 0.000 2.439 371 K HA 0.033 4.354 4.320 0.002 0.000 0.197 371 K C 1.504 178.128 176.600 0.039 0.000 1.041 371 K CA 0.624 56.933 56.287 0.038 0.000 0.970 371 K CB -0.218 32.315 32.500 0.055 0.000 0.773 371 K HN 0.495 nan 8.250 nan 0.000 0.479 372 L N -0.401 120.838 121.223 0.026 0.000 2.356 372 L HA 0.217 4.559 4.340 0.002 0.000 0.193 372 L C 1.973 178.854 176.870 0.017 0.000 1.087 372 L CA 1.257 56.112 54.840 0.024 0.000 0.817 372 L CB -0.687 41.382 42.059 0.017 0.000 1.035 372 L HN -0.021 nan 8.230 nan 0.000 0.482 373 A N -0.542 122.285 122.820 0.011 0.000 1.930 373 A HA 0.112 4.433 4.320 0.002 0.000 0.215 373 A C 2.142 179.730 177.584 0.007 0.000 1.176 373 A CA 1.242 53.283 52.037 0.007 0.000 0.632 373 A CB -1.371 17.631 19.000 0.004 0.000 0.819 373 A HN 0.520 nan 8.150 nan 0.000 0.445 374 G N -1.622 107.183 108.800 0.007 0.000 2.430 374 G HA2 0.302 4.264 3.960 0.002 0.000 0.216 374 G HA3 0.302 4.264 3.960 0.002 0.000 0.216 374 G C 1.451 176.356 174.900 0.008 0.000 1.146 374 G CA 1.058 46.162 45.100 0.006 0.000 0.793 374 G HN 1.488 nan 8.290 nan 0.000 0.537 375 G N -0.888 107.921 108.800 0.014 0.000 3.181 375 G HA2 -0.292 3.669 3.960 0.002 0.000 0.322 375 G HA3 -0.292 3.669 3.960 0.002 0.000 0.322 375 G C 0.137 175.046 174.900 0.015 0.000 1.246 375 G CA 0.898 46.010 45.100 0.019 0.000 0.989 375 G HN 1.199 nan 8.290 nan 0.000 0.607 376 V N 0.728 120.646 119.914 0.006 0.000 2.760 376 V HA 0.772 4.893 4.120 0.002 0.000 0.309 376 V C 0.300 176.391 176.094 -0.006 0.000 1.077 376 V CA -0.200 62.099 62.300 -0.002 0.000 0.910 376 V CB 1.643 33.462 31.823 -0.007 0.000 1.008 376 V HN 1.838 nan 8.190 nan 0.000 0.424 377 A N 3.709 126.523 122.820 -0.010 0.000 2.276 377 A HA 0.879 5.200 4.320 0.002 0.000 0.316 377 A C -0.404 177.169 177.584 -0.018 0.000 1.229 377 A CA -0.525 51.504 52.037 -0.013 0.000 0.851 377 A CB 1.226 20.218 19.000 -0.013 0.000 1.165 377 A HN 1.528 nan 8.150 nan 0.000 0.513 378 V N 0.752 120.656 119.914 -0.017 0.000 2.604 378 V HA 0.725 4.846 4.120 0.002 0.000 0.305 378 V C -0.505 175.577 176.094 -0.020 0.000 1.043 378 V CA -0.701 61.587 62.300 -0.020 0.000 0.888 378 V CB 1.366 33.178 31.823 -0.017 0.000 0.995 378 V HN 0.633 nan 8.190 nan 0.000 0.429 379 I N 3.691 124.247 120.570 -0.023 0.000 2.337 379 I HA 0.397 4.568 4.170 0.002 0.000 0.285 379 I C 0.240 176.346 176.117 -0.019 0.000 1.041 379 I CA -0.407 60.880 61.300 -0.021 0.000 1.199 379 I CB 1.235 39.219 38.000 -0.026 0.000 1.370 379 I HN 0.621 nan 8.210 nan 0.000 0.470 380 K N 5.625 126.015 120.400 -0.015 0.000 2.262 380 K HA 0.287 4.608 4.320 0.002 0.000 0.288 380 K C -0.550 176.042 176.600 -0.013 0.000 1.090 380 K CA -0.310 55.969 56.287 -0.013 0.000 0.918 380 K CB 0.846 33.339 32.500 -0.012 0.000 1.139 380 K HN 0.346 nan 8.250 nan 0.000 0.462 381 V N 3.118 123.025 119.914 -0.012 0.000 2.427 381 V HA 0.174 4.295 4.120 0.002 0.000 0.268 381 V C 0.882 176.971 176.094 -0.010 0.000 1.046 381 V CA -0.465 61.828 62.300 -0.012 0.000 0.970 381 V CB 0.986 32.802 31.823 -0.012 0.000 1.001 381 V HN 0.842 nan 8.190 nan 0.000 0.476 382 G N 3.334 112.129 108.800 -0.009 0.000 2.434 382 G HA2 0.837 4.798 3.960 0.002 0.000 0.330 382 G HA3 0.837 4.798 3.960 0.002 0.000 0.330 382 G C -0.529 174.367 174.900 -0.007 0.000 1.155 382 G CA 0.091 45.186 45.100 -0.008 0.000 0.917 382 G HN 1.204 nan 8.290 nan 0.000 0.493 383 A N -0.686 122.131 122.820 -0.006 0.000 2.540 383 A HA 0.740 5.061 4.320 0.002 0.000 0.291 383 A C 0.515 178.096 177.584 -0.005 0.000 1.083 383 A CA 0.273 52.307 52.037 -0.006 0.000 0.650 383 A CB 0.456 19.453 19.000 -0.005 0.000 1.292 383 A HN 1.895 nan 8.150 nan 0.000 0.435 384 A N -0.570 122.248 122.820 -0.005 0.000 2.238 384 A HA 0.531 4.852 4.320 0.002 0.000 0.208 384 A C 0.856 178.438 177.584 -0.004 0.000 1.177 384 A CA 1.666 53.701 52.037 -0.004 0.000 0.804 384 A CB -0.437 18.561 19.000 -0.004 0.000 0.823 384 A HN 2.208 nan 8.150 nan 0.000 0.482 385 T N -2.640 111.912 114.554 -0.004 0.000 2.907 385 T HA 0.186 4.537 4.350 0.002 0.000 0.344 385 T C 0.285 174.983 174.700 -0.003 0.000 1.675 385 T CA 0.035 62.133 62.100 -0.003 0.000 1.076 385 T CB 1.033 69.899 68.868 -0.003 0.000 1.483 385 T HN 0.232 nan 8.240 nan 0.000 0.487 386 E N 1.517 121.715 120.200 -0.004 0.000 2.219 386 E HA -0.117 4.234 4.350 0.002 0.000 0.198 386 E C 1.644 178.243 176.600 -0.003 0.000 0.998 386 E CA 1.786 58.184 56.400 -0.004 0.000 0.818 386 E CB 0.016 29.714 29.700 -0.004 0.000 0.741 386 E HN 0.520 nan 8.360 nan 0.000 0.477 387 V N 0.765 120.678 119.914 -0.002 0.000 2.323 387 V HA -0.210 3.911 4.120 0.002 0.000 0.244 387 V C 2.358 178.451 176.094 -0.001 0.000 1.041 387 V CA 2.125 64.424 62.300 -0.001 0.000 1.025 387 V CB -0.494 31.329 31.823 -0.000 0.000 0.656 387 V HN 0.323 nan 8.190 nan 0.000 0.451 388 E N -0.268 119.931 120.200 -0.002 0.000 2.152 388 E HA -0.218 4.133 4.350 0.002 0.000 0.192 388 E C 2.235 178.833 176.600 -0.003 0.000 0.983 388 E CA 1.118 57.517 56.400 -0.002 0.000 0.818 388 E CB -0.100 29.599 29.700 -0.003 0.000 0.758 388 E HN 0.557 nan 8.360 nan 0.000 0.467 389 M N 0.701 120.299 119.600 -0.003 0.000 2.073 389 M HA -0.245 4.236 4.480 0.002 0.000 0.258 389 M C 1.861 178.159 176.300 -0.003 0.000 1.070 389 M CA 1.808 57.106 55.300 -0.004 0.000 1.103 389 M CB -0.012 32.586 32.600 -0.005 0.000 1.321 389 M HN -0.060 nan 8.290 nan 0.000 0.405 390 K N -0.522 119.877 120.400 -0.001 0.000 2.211 390 K HA -0.146 4.175 4.320 0.002 0.000 0.203 390 K C 2.058 178.660 176.600 0.002 0.000 1.050 390 K CA 1.018 57.305 56.287 0.001 0.000 0.945 390 K CB -0.128 32.373 32.500 0.001 0.000 0.732 390 K HN 0.416 nan 8.250 nan 0.000 0.451 391 E N 1.632 121.833 120.200 0.002 0.000 2.051 391 E HA -0.151 4.200 4.350 0.002 0.000 0.189 391 E C 1.876 178.477 176.600 0.001 0.000 0.979 391 E CA 1.091 57.492 56.400 0.003 0.000 0.803 391 E CB 0.175 29.876 29.700 0.002 0.000 0.761 391 E HN 0.104 nan 8.360 nan 0.000 0.451 392 K N 1.128 121.527 120.400 -0.001 0.000 2.103 392 K HA -0.191 4.131 4.320 0.002 0.000 0.207 392 K C 2.314 178.911 176.600 -0.005 0.000 1.048 392 K CA 1.492 57.777 56.287 -0.004 0.000 0.930 392 K CB -0.084 32.412 32.500 -0.006 0.000 0.716 392 K HN -0.065 nan 8.250 nan 0.000 0.444 393 K N 0.290 120.688 120.400 -0.003 0.000 2.001 393 K HA -0.209 4.112 4.320 0.002 0.000 0.214 393 K C 1.991 178.592 176.600 0.002 0.000 1.050 393 K CA 1.697 57.982 56.287 -0.003 0.000 0.934 393 K CB -0.323 32.176 32.500 -0.001 0.000 0.718 393 K HN 0.218 nan 8.250 nan 0.000 0.443 394 A N 1.392 124.217 122.820 0.009 0.000 1.940 394 A HA -0.222 4.099 4.320 0.002 0.000 0.219 394 A C 2.176 179.771 177.584 0.018 0.000 1.176 394 A CA 1.879 53.927 52.037 0.018 0.000 0.631 394 A CB -0.607 18.403 19.000 0.017 0.000 0.814 394 A HN 0.482 nan 8.150 nan 0.000 0.446 395 R N -0.583 119.922 120.500 0.009 0.000 2.075 395 R HA -0.059 4.282 4.340 0.002 0.000 0.232 395 R C 1.921 178.220 176.300 -0.002 0.000 1.126 395 R CA 1.559 57.662 56.100 0.005 0.000 0.963 395 R CB -0.383 29.917 30.300 0.000 0.000 0.858 395 R HN 0.283 nan 8.270 nan 0.000 0.435 396 V N 1.527 121.434 119.914 -0.012 0.000 2.332 396 V HA -0.256 3.865 4.120 0.002 0.000 0.248 396 V C 1.961 178.024 176.094 -0.052 0.000 1.055 396 V CA 2.168 64.451 62.300 -0.029 0.000 1.038 396 V CB -0.501 31.303 31.823 -0.032 0.000 0.651 396 V HN 0.441 nan 8.190 nan 0.000 0.450 397 E N 0.129 120.304 120.200 -0.042 0.000 2.049 397 E HA -0.263 4.088 4.350 0.002 0.000 0.198 397 E C 1.947 178.523 176.600 -0.041 0.000 1.007 397 E CA 1.766 58.121 56.400 -0.074 0.000 0.809 397 E CB -0.257 29.468 29.700 0.041 0.000 0.749 397 E HN 0.602 nan 8.360 nan 0.000 0.450 398 D N -0.032 120.409 120.400 0.067 0.000 2.224 398 D HA -0.052 4.589 4.640 0.002 0.000 0.205 398 D C 1.737 178.077 176.300 0.068 0.000 0.965 398 D CA 1.096 55.171 54.000 0.126 0.000 0.852 398 D CB -0.202 40.647 40.800 0.081 0.000 0.947 398 D HN 0.191 nan 8.370 nan 0.000 0.494 399 A N 0.647 123.474 122.820 0.013 0.000 1.929 399 A HA -0.036 4.285 4.320 0.002 0.000 0.216 399 A C 2.166 179.733 177.584 -0.028 0.000 1.176 399 A CA 0.540 52.574 52.037 -0.004 0.000 0.628 399 A CB -0.662 18.330 19.000 -0.013 0.000 0.816 399 A HN 0.258 nan 8.150 nan 0.000 0.444 400 L N -1.164 120.005 121.223 -0.089 0.000 1.994 400 L HA -0.195 4.146 4.340 0.002 0.000 0.208 400 L C 2.665 179.458 176.870 -0.128 0.000 1.071 400 L CA 1.653 56.404 54.840 -0.148 0.000 0.745 400 L CB -0.509 41.402 42.059 -0.248 0.000 0.892 400 L HN 0.474 nan 8.230 nan 0.000 0.431 401 H N -0.216 118.852 119.070 -0.003 0.000 2.352 401 H HA -0.130 4.427 4.556 0.002 0.000 0.299 401 H C 2.199 177.527 175.328 -0.000 0.000 1.097 401 H CA 1.485 57.532 56.048 -0.002 0.000 1.311 401 H CB -0.378 29.382 29.762 -0.003 0.000 1.377 401 H HN 0.517 nan 8.280 nan 0.000 0.504 402 A N 0.394 123.282 122.820 0.114 0.000 1.969 402 A HA -0.129 4.192 4.320 0.002 0.000 0.218 402 A C 2.605 180.212 177.584 0.037 0.000 1.169 402 A CA 1.816 53.891 52.037 0.063 0.000 0.635 402 A CB -0.730 18.297 19.000 0.045 0.000 0.810 402 A HN 0.402 nan 8.150 nan 0.000 0.445 403 T N -0.177 114.390 114.554 0.021 0.000 2.708 403 T HA -0.146 4.205 4.350 0.002 0.000 0.266 403 T C 2.054 176.764 174.700 0.016 0.000 1.037 403 T CA 1.505 63.610 62.100 0.009 0.000 1.146 403 T CB -0.242 68.621 68.868 -0.008 0.000 0.865 403 T HN 0.501 nan 8.240 nan 0.000 0.435 404 R N 0.946 121.461 120.500 0.025 0.000 2.096 404 R HA 0.024 4.365 4.340 0.002 0.000 0.235 404 R C 2.828 179.151 176.300 0.039 0.000 1.127 404 R CA 1.227 57.347 56.100 0.035 0.000 0.968 404 R CB -0.518 29.813 30.300 0.052 0.000 0.861 404 R HN 0.375 nan 8.270 nan 0.000 0.440 405 A N 1.331 124.179 122.820 0.047 0.000 1.940 405 A HA -0.140 4.181 4.320 0.002 0.000 0.219 405 A C 2.367 179.968 177.584 0.028 0.000 1.176 405 A CA 1.756 53.816 52.037 0.038 0.000 0.631 405 A CB -0.513 18.511 19.000 0.041 0.000 0.814 405 A HN 0.404 nan 8.150 nan 0.000 0.446 406 A N -0.622 122.212 122.820 0.024 0.000 1.898 406 A HA 0.021 4.342 4.320 0.002 0.000 0.216 406 A C 2.152 179.746 177.584 0.016 0.000 1.181 406 A CA 1.615 53.662 52.037 0.018 0.000 0.620 406 A CB -0.932 18.077 19.000 0.014 0.000 0.819 406 A HN 0.418 nan 8.150 nan 0.000 0.442 407 V N 0.375 120.298 119.914 0.016 0.000 2.568 407 V HA -0.237 3.884 4.120 0.002 0.000 0.253 407 V C 1.915 178.019 176.094 0.016 0.000 1.072 407 V CA 2.155 64.463 62.300 0.015 0.000 1.084 407 V CB -0.796 31.035 31.823 0.014 0.000 0.676 407 V HN 0.641 nan 8.190 nan 0.000 0.469 408 E N -0.256 119.956 120.200 0.020 0.000 2.465 408 E HA 0.165 4.516 4.350 0.002 0.000 0.191 408 E C 0.407 177.017 176.600 0.017 0.000 1.053 408 E CA 0.037 56.449 56.400 0.020 0.000 0.869 408 E CB 0.357 30.072 29.700 0.024 0.000 0.977 408 E HN 0.645 nan 8.360 nan 0.000 0.483 409 E N -0.327 119.882 120.200 0.016 0.000 2.979 409 E HA 0.127 4.478 4.350 0.002 0.000 0.283 409 E C -0.278 176.331 176.600 0.014 0.000 1.155 409 E CA 0.043 56.451 56.400 0.014 0.000 0.573 409 E CB -0.631 29.077 29.700 0.013 0.000 1.110 409 E HN 0.250 nan 8.360 nan 0.000 0.472 410 G N 0.677 109.485 108.800 0.013 0.000 2.804 410 G HA2 -0.047 3.914 3.960 0.002 0.000 0.230 410 G HA3 -0.047 3.914 3.960 0.002 0.000 0.230 410 G C -0.346 174.562 174.900 0.012 0.000 1.386 410 G CA -0.212 44.895 45.100 0.012 0.000 0.875 410 G HN 1.435 nan 8.290 nan 0.000 0.557 411 V N -3.223 116.698 119.914 0.012 0.000 2.971 411 V HA 0.943 5.065 4.120 0.002 0.000 0.309 411 V C 0.330 176.431 176.094 0.012 0.000 1.130 411 V CA -0.023 62.283 62.300 0.011 0.000 0.964 411 V CB 1.301 33.130 31.823 0.008 0.000 1.029 411 V HN 2.420 nan 8.190 nan 0.000 0.427 412 V N 0.009 119.931 119.914 0.012 0.000 3.130 412 V HA 0.992 5.113 4.120 0.002 0.000 0.310 412 V C 0.539 176.639 176.094 0.011 0.000 1.158 412 V CA -0.694 61.614 62.300 0.014 0.000 1.029 412 V CB 1.560 33.393 31.823 0.017 0.000 1.057 412 V HN 2.115 nan 8.190 nan 0.000 0.436 413 A N 1.230 124.059 122.820 0.014 0.000 2.526 413 A HA 0.479 4.800 4.320 0.002 0.000 0.287 413 A C 1.387 178.975 177.584 0.005 0.000 1.232 413 A CA 0.594 52.635 52.037 0.007 0.000 0.900 413 A CB -0.738 18.272 19.000 0.016 0.000 1.077 413 A HN 1.807 nan 8.150 nan 0.000 0.535 414 G N 2.273 111.071 108.800 -0.003 0.000 2.683 414 G HA2 0.192 4.153 3.960 0.002 0.000 0.213 414 G HA3 0.192 4.153 3.960 0.002 0.000 0.213 414 G C 0.996 175.895 174.900 -0.002 0.000 1.142 414 G CA 0.619 45.719 45.100 0.000 0.000 0.793 414 G HN 1.049 nan 8.290 nan 0.000 0.534 415 G N 0.145 108.939 108.800 -0.010 0.000 3.325 415 G HA2 0.400 4.361 3.960 0.002 0.000 0.242 415 G HA3 0.400 4.361 3.960 0.002 0.000 0.242 415 G C 1.363 176.272 174.900 0.015 0.000 1.120 415 G CA 0.298 45.395 45.100 -0.006 0.000 1.778 415 G HN 1.113 nan 8.290 nan 0.000 0.610 416 G N -0.746 108.064 108.800 0.017 0.000 2.480 416 G HA2 -0.428 3.533 3.960 0.002 0.000 0.246 416 G HA3 -0.428 3.533 3.960 0.002 0.000 0.246 416 G C 1.542 176.460 174.900 0.029 0.000 1.073 416 G CA 0.769 45.884 45.100 0.024 0.000 0.643 416 G HN 0.665 nan 8.290 nan 0.000 0.525 417 V N 1.455 121.388 119.914 0.032 0.000 2.313 417 V HA -0.185 3.936 4.120 0.002 0.000 0.253 417 V C 3.351 179.470 176.094 0.042 0.000 1.070 417 V CA 3.305 65.629 62.300 0.041 0.000 1.057 417 V CB -1.219 30.624 31.823 0.034 0.000 0.653 417 V HN 1.178 nan 8.190 nan 0.000 0.450 418 A N -0.415 122.425 122.820 0.033 0.000 1.908 418 A HA -0.172 4.149 4.320 0.002 0.000 0.218 418 A C 2.138 179.740 177.584 0.031 0.000 1.181 418 A CA 1.805 53.861 52.037 0.032 0.000 0.627 418 A CB -0.470 18.545 19.000 0.025 0.000 0.818 418 A HN 0.422 nan 8.150 nan 0.000 0.445 419 L N -0.057 121.183 121.223 0.028 0.000 2.017 419 L HA -0.167 4.174 4.340 0.002 0.000 0.208 419 L C 2.538 179.425 176.870 0.029 0.000 1.073 419 L CA 1.450 56.305 54.840 0.026 0.000 0.745 419 L CB -1.339 40.734 42.059 0.024 0.000 0.894 419 L HN 0.335 nan 8.230 nan 0.000 0.432 420 I N -0.165 120.425 120.570 0.034 0.000 2.208 420 I HA -0.270 3.901 4.170 0.002 0.000 0.245 420 I C 2.745 178.887 176.117 0.042 0.000 1.097 420 I CA 1.128 62.452 61.300 0.039 0.000 1.363 420 I CB -1.227 36.802 38.000 0.049 0.000 1.051 420 I HN 0.286 nan 8.210 nan 0.000 0.413 421 R N 2.163 122.692 120.500 0.048 0.000 2.070 421 R HA -0.139 4.202 4.340 0.002 0.000 0.233 421 R C 2.333 178.655 176.300 0.036 0.000 1.137 421 R CA 2.410 58.540 56.100 0.050 0.000 0.945 421 R CB -1.008 29.326 30.300 0.057 0.000 0.845 421 R HN 0.346 nan 8.270 nan 0.000 0.430 422 V N -1.226 118.706 119.914 0.030 0.000 2.407 422 V HA -0.023 4.098 4.120 0.002 0.000 0.248 422 V C 2.237 178.343 176.094 0.020 0.000 1.055 422 V CA 1.750 64.064 62.300 0.023 0.000 1.049 422 V CB -1.411 30.423 31.823 0.019 0.000 0.662 422 V HN 0.372 nan 8.190 nan 0.000 0.455 423 A N 1.734 124.567 122.820 0.021 0.000 1.940 423 A HA -0.171 4.150 4.320 0.002 0.000 0.219 423 A C 2.535 180.130 177.584 0.019 0.000 1.176 423 A CA 2.450 54.498 52.037 0.019 0.000 0.631 423 A CB -1.106 17.905 19.000 0.019 0.000 0.814 423 A HN 1.053 nan 8.150 nan 0.000 0.446 424 S N -1.075 114.639 115.700 0.023 0.000 2.547 424 S HA -0.047 4.424 4.470 0.002 0.000 0.235 424 S C 1.534 176.144 174.600 0.017 0.000 0.980 424 S CA 1.369 59.582 58.200 0.022 0.000 0.941 424 S CB -0.087 63.130 63.200 0.029 0.000 0.763 424 S HN 0.634 nan 8.310 nan 0.000 0.532 425 K N 0.515 120.925 120.400 0.016 0.000 2.218 425 K HA 0.273 4.594 4.320 0.002 0.000 0.214 425 K C 1.492 178.098 176.600 0.010 0.000 1.033 425 K CA 0.730 57.024 56.287 0.012 0.000 0.949 425 K CB -0.354 32.153 32.500 0.013 0.000 0.993 425 K HN 0.381 nan 8.250 nan 0.000 0.464 426 L N 0.195 121.424 121.223 0.010 0.000 2.700 426 L HA 0.196 4.537 4.340 0.002 0.000 0.240 426 L C 1.712 178.586 176.870 0.007 0.000 1.162 426 L CA 0.905 55.749 54.840 0.007 0.000 0.874 426 L CB -1.280 40.783 42.059 0.007 0.000 1.001 426 L HN 0.008 nan 8.230 nan 0.000 0.447 427 A N 0.054 122.879 122.820 0.008 0.000 2.032 427 A HA -0.258 4.063 4.320 0.002 0.000 0.221 427 A C 1.814 179.402 177.584 0.006 0.000 1.165 427 A CA 1.853 53.895 52.037 0.007 0.000 0.645 427 A CB -0.687 18.318 19.000 0.008 0.000 0.807 427 A HN 0.517 nan 8.150 nan 0.000 0.453 428 D N -1.259 119.144 120.400 0.005 0.000 2.395 428 D HA 0.211 4.852 4.640 0.002 0.000 0.226 428 D C 0.163 176.465 176.300 0.003 0.000 1.146 428 D CA -0.449 53.553 54.000 0.004 0.000 0.830 428 D CB -0.353 40.449 40.800 0.003 0.000 0.958 428 D HN 0.252 nan 8.370 nan 0.000 0.501 429 L N 1.112 122.337 121.223 0.003 0.000 2.514 429 L HA 0.190 4.531 4.340 0.002 0.000 0.280 429 L C -0.087 176.784 176.870 0.002 0.000 1.223 429 L CA 0.471 55.312 54.840 0.003 0.000 0.864 429 L CB 0.361 42.421 42.059 0.003 0.000 1.118 429 L HN -0.120 nan 8.230 nan 0.000 0.494 430 R N 3.337 123.838 120.500 0.002 0.000 2.604 430 R HA 0.572 4.913 4.340 0.002 0.000 0.287 430 R C 0.192 176.492 176.300 0.001 0.000 0.970 430 R CA -0.091 56.010 56.100 0.001 0.000 0.946 430 R CB 1.265 31.565 30.300 0.001 0.000 1.127 430 R HN 0.912 nan 8.270 nan 0.000 0.473 431 G N 0.535 109.336 108.800 0.001 0.000 2.714 431 G HA2 0.183 4.144 3.960 0.002 0.000 0.197 431 G HA3 0.183 4.144 3.960 0.002 0.000 0.197 431 G C 0.005 174.905 174.900 0.001 0.000 1.449 431 G CA 0.157 45.258 45.100 0.001 0.000 1.065 431 G HN 0.421 nan 8.290 nan 0.000 0.575 432 Q N -1.269 118.531 119.800 0.001 0.000 2.589 432 Q HA 0.164 4.506 4.340 0.002 0.000 0.216 432 Q C 0.953 176.953 176.000 0.001 0.000 0.774 432 Q CA -0.330 55.473 55.803 0.000 0.000 0.909 432 Q CB 0.108 28.846 28.738 0.000 0.000 1.283 432 Q HN 0.574 nan 8.270 nan 0.000 0.597 433 N N 1.234 119.935 118.700 0.001 0.000 2.463 433 N HA -0.040 4.701 4.740 0.002 0.000 0.270 433 N C 0.658 176.168 175.510 0.001 0.000 1.205 433 N CA 0.395 53.446 53.050 0.001 0.000 0.974 433 N CB 1.280 39.768 38.487 0.001 0.000 1.197 433 N HN 0.319 nan 8.380 nan 0.000 0.504 434 E N 1.233 121.434 120.200 0.001 0.000 2.028 434 E HA -0.222 4.130 4.350 0.002 0.000 0.191 434 E C 0.468 177.069 176.600 0.002 0.000 0.988 434 E CA 1.568 57.968 56.400 0.001 0.000 0.799 434 E CB -0.405 29.296 29.700 0.001 0.000 0.755 434 E HN 0.607 nan 8.360 nan 0.000 0.447 435 D N 1.100 121.502 120.400 0.002 0.000 2.133 435 D HA -0.225 4.416 4.640 0.002 0.000 0.195 435 D C 2.068 178.370 176.300 0.003 0.000 0.997 435 D CA 1.567 55.569 54.000 0.002 0.000 0.840 435 D CB -0.302 40.499 40.800 0.003 0.000 0.947 435 D HN 0.298 nan 8.370 nan 0.000 0.452 436 Q N 0.173 119.975 119.800 0.002 0.000 2.079 436 Q HA -0.146 4.195 4.340 0.002 0.000 0.200 436 Q C 1.784 177.786 176.000 0.002 0.000 0.974 436 Q CA 0.976 56.780 55.803 0.002 0.000 0.840 436 Q CB 0.056 28.795 28.738 0.002 0.000 0.898 436 Q HN 0.281 nan 8.270 nan 0.000 0.430 437 N N -0.227 118.474 118.700 0.002 0.000 2.166 437 N HA -0.137 4.605 4.740 0.002 0.000 0.186 437 N C 1.887 177.398 175.510 0.002 0.000 1.019 437 N CA 1.307 54.358 53.050 0.002 0.000 0.856 437 N CB 0.015 38.503 38.487 0.002 0.000 0.993 437 N HN 0.106 nan 8.380 nan 0.000 0.426 438 V N 1.027 120.942 119.914 0.003 0.000 2.295 438 V HA -0.167 3.954 4.120 0.002 0.000 0.246 438 V C 2.524 178.620 176.094 0.003 0.000 1.049 438 V CA 2.052 64.354 62.300 0.003 0.000 1.024 438 V CB -1.160 30.665 31.823 0.003 0.000 0.648 438 V HN 0.334 nan 8.190 nan 0.000 0.447 439 G N -0.250 108.552 108.800 0.004 0.000 2.422 439 G HA2 -0.222 3.739 3.960 0.002 0.000 0.218 439 G HA3 -0.222 3.739 3.960 0.002 0.000 0.218 439 G C 1.581 176.484 174.900 0.004 0.000 1.146 439 G CA 1.041 46.143 45.100 0.004 0.000 0.769 439 G HN 0.481 nan 8.290 nan 0.000 0.547 440 I N 0.064 120.636 120.570 0.003 0.000 2.099 440 I HA -0.149 4.022 4.170 0.002 0.000 0.239 440 I C 2.732 178.851 176.117 0.004 0.000 1.066 440 I CA 1.439 62.741 61.300 0.003 0.000 1.324 440 I CB -0.110 37.892 38.000 0.003 0.000 1.037 440 I HN 0.044 nan 8.210 nan 0.000 0.401 441 K N 0.434 120.837 120.400 0.004 0.000 2.148 441 K HA -0.086 4.235 4.320 0.002 0.000 0.204 441 K C 1.872 178.475 176.600 0.005 0.000 1.050 441 K CA 0.835 57.125 56.287 0.005 0.000 0.942 441 K CB -0.270 32.233 32.500 0.004 0.000 0.724 441 K HN 0.086 nan 8.250 nan 0.000 0.446 442 V N 0.519 120.436 119.914 0.005 0.000 2.343 442 V HA -0.279 3.842 4.120 0.002 0.000 0.247 442 V C 2.157 178.256 176.094 0.007 0.000 1.051 442 V CA 2.018 64.322 62.300 0.006 0.000 1.036 442 V CB -0.669 31.158 31.823 0.006 0.000 0.654 442 V HN 0.436 nan 8.190 nan 0.000 0.451 443 A N -0.313 122.512 122.820 0.007 0.000 1.933 443 A HA -0.163 4.158 4.320 0.002 0.000 0.218 443 A C 2.168 179.757 177.584 0.009 0.000 1.175 443 A CA 1.764 53.806 52.037 0.008 0.000 0.628 443 A CB -0.478 18.526 19.000 0.007 0.000 0.814 443 A HN 0.532 nan 8.150 nan 0.000 0.444 444 L N -1.124 120.104 121.223 0.009 0.000 1.970 444 L HA -0.228 4.113 4.340 0.002 0.000 0.212 444 L C 2.784 179.660 176.870 0.011 0.000 1.071 444 L CA 2.107 56.953 54.840 0.010 0.000 0.751 444 L CB -0.618 41.447 42.059 0.009 0.000 0.889 444 L HN 0.458 nan 8.230 nan 0.000 0.432 445 R N 0.372 120.878 120.500 0.010 0.000 2.091 445 R HA -0.178 4.163 4.340 0.002 0.000 0.238 445 R C 2.327 178.633 176.300 0.011 0.000 1.136 445 R CA 1.482 57.588 56.100 0.009 0.000 0.959 445 R CB -0.283 30.022 30.300 0.008 0.000 0.856 445 R HN 0.365 nan 8.270 nan 0.000 0.437 446 A N 0.732 123.559 122.820 0.011 0.000 1.933 446 A HA -0.156 4.166 4.320 0.002 0.000 0.218 446 A C 2.167 179.760 177.584 0.014 0.000 1.175 446 A CA 1.596 53.640 52.037 0.012 0.000 0.628 446 A CB -0.436 18.571 19.000 0.012 0.000 0.814 446 A HN 0.395 nan 8.150 nan 0.000 0.444 447 M N -0.527 119.082 119.600 0.014 0.000 2.549 447 M HA -0.112 4.369 4.480 0.002 0.000 0.260 447 M C 1.503 177.814 176.300 0.018 0.000 1.076 447 M CA 0.947 56.257 55.300 0.016 0.000 1.090 447 M CB -0.299 32.311 32.600 0.016 0.000 1.418 447 M HN 0.482 nan 8.290 nan 0.000 0.486 448 E N 0.287 120.497 120.200 0.017 0.000 2.358 448 E HA -0.052 4.299 4.350 0.002 0.000 0.195 448 E C 2.073 178.683 176.600 0.017 0.000 1.010 448 E CA 0.666 57.077 56.400 0.018 0.000 0.856 448 E CB 0.029 29.738 29.700 0.015 0.000 0.795 448 E HN 0.496 nan 8.360 nan 0.000 0.504 449 A N 2.309 125.138 122.820 0.015 0.000 1.940 449 A HA -0.137 4.184 4.320 0.002 0.000 0.219 449 A C -0.335 177.259 177.584 0.016 0.000 1.176 449 A CA 1.171 53.216 52.037 0.014 0.000 0.631 449 A CB -1.327 17.681 19.000 0.013 0.000 0.814 449 A HN 0.145 nan 8.150 nan 0.000 0.446 450 P HA -0.159 nan 4.420 nan 0.000 0.214 450 P C 1.723 179.035 177.300 0.021 0.000 1.163 450 P CA 1.015 64.126 63.100 0.019 0.000 0.883 450 P CB -0.103 31.609 31.700 0.020 0.000 0.788 451 L N -0.223 121.015 121.223 0.024 0.000 1.994 451 L HA -0.130 4.211 4.340 0.002 0.000 0.208 451 L C 2.345 179.230 176.870 0.024 0.000 1.071 451 L CA 1.906 56.764 54.840 0.030 0.000 0.745 451 L CB -0.974 41.104 42.059 0.033 0.000 0.892 451 L HN -0.219 nan 8.230 nan 0.000 0.431 452 R N -1.035 119.475 120.500 0.016 0.000 2.096 452 R HA -0.207 4.134 4.340 0.002 0.000 0.235 452 R C 2.317 178.624 176.300 0.012 0.000 1.127 452 R CA 1.525 57.630 56.100 0.009 0.000 0.968 452 R CB -0.396 29.908 30.300 0.007 0.000 0.861 452 R HN 0.422 nan 8.270 nan 0.000 0.440 453 Q N 0.991 120.800 119.800 0.014 0.000 2.123 453 Q HA -0.033 4.308 4.340 0.002 0.000 0.199 453 Q C 1.823 177.834 176.000 0.018 0.000 0.966 453 Q CA 1.341 57.152 55.803 0.014 0.000 0.845 453 Q CB -0.050 28.696 28.738 0.013 0.000 0.907 453 Q HN 0.320 nan 8.270 nan 0.000 0.439 454 I N -0.756 119.828 120.570 0.024 0.000 2.163 454 I HA -0.281 3.890 4.170 0.002 0.000 0.243 454 I C 1.966 178.111 176.117 0.046 0.000 1.085 454 I CA 1.064 62.383 61.300 0.031 0.000 1.347 454 I CB -0.255 37.765 38.000 0.034 0.000 1.044 454 I HN 0.062 nan 8.210 nan 0.000 0.408 455 V N 0.453 120.399 119.914 0.053 0.000 2.427 455 V HA -0.248 3.873 4.120 0.002 0.000 0.248 455 V C 2.310 178.427 176.094 0.038 0.000 1.051 455 V CA 1.439 63.776 62.300 0.062 0.000 1.048 455 V CB -0.494 31.335 31.823 0.011 0.000 0.666 455 V HN 0.361 nan 8.190 nan 0.000 0.456 456 L N 0.824 122.060 121.223 0.021 0.000 2.093 456 L HA -0.102 4.239 4.340 0.002 0.000 0.208 456 L C 2.150 179.031 176.870 0.018 0.000 1.085 456 L CA 1.870 56.720 54.840 0.016 0.000 0.755 456 L CB -0.910 41.155 42.059 0.010 0.000 0.904 456 L HN 0.293 nan 8.230 nan 0.000 0.435 457 N N -0.912 117.800 118.700 0.019 0.000 2.120 457 N HA -0.161 4.580 4.740 0.002 0.000 0.188 457 N C 1.765 177.285 175.510 0.018 0.000 1.024 457 N CA 1.751 54.810 53.050 0.016 0.000 0.852 457 N CB -0.817 37.678 38.487 0.013 0.000 1.003 457 N HN 0.405 nan 8.380 nan 0.000 0.424 458 C N -0.322 118.995 119.300 0.029 0.000 2.522 458 C HA 0.240 4.701 4.460 0.002 0.000 0.271 458 C C 1.560 176.573 174.990 0.038 0.000 1.425 458 C CA 0.383 59.421 59.018 0.034 0.000 1.751 458 C CB -1.273 26.498 27.740 0.052 0.000 1.775 458 C HN 0.654 nan 8.230 nan 0.000 0.557 459 G N 0.897 109.717 108.800 0.033 0.000 2.149 459 G HA2 -0.145 3.816 3.960 0.002 0.000 0.235 459 G HA3 -0.145 3.816 3.960 0.002 0.000 0.235 459 G C -0.257 174.661 174.900 0.031 0.000 1.018 459 G CA 0.173 45.288 45.100 0.027 0.000 0.728 459 G HN 0.506 nan 8.290 nan 0.000 0.508 460 E N -0.505 119.716 120.200 0.036 0.000 2.412 460 E HA 0.474 4.825 4.350 0.002 0.000 0.255 460 E C -0.380 176.215 176.600 -0.009 0.000 0.933 460 E CA -0.955 55.460 56.400 0.026 0.000 0.823 460 E CB 0.599 30.336 29.700 0.062 0.000 1.352 460 E HN 0.099 nan 8.360 nan 0.000 0.406 461 E N 2.212 122.390 120.200 -0.037 0.000 2.070 461 E HA 0.155 4.506 4.350 0.002 0.000 0.282 461 E C -1.898 174.665 176.600 -0.063 0.000 1.104 461 E CA -1.893 54.482 56.400 -0.041 0.000 0.876 461 E CB 0.807 30.486 29.700 -0.035 0.000 1.055 461 E HN 0.088 nan 8.360 nan 0.000 0.401 462 P HA -0.088 nan 4.420 nan 0.000 0.223 462 P C 1.062 178.341 177.300 -0.034 0.000 1.151 462 P CA 0.881 63.958 63.100 -0.037 0.000 0.787 462 P CB 0.436 32.127 31.700 -0.015 0.000 0.788 463 S N -2.208 113.474 115.700 -0.029 0.000 2.468 463 S HA 0.004 4.475 4.470 0.002 0.000 0.226 463 S C 1.878 176.464 174.600 -0.024 0.000 1.051 463 S CA 0.321 58.509 58.200 -0.020 0.000 0.943 463 S CB -1.333 61.859 63.200 -0.012 0.000 0.810 463 S HN -0.082 nan 8.310 nan 0.000 0.509 464 V N 2.293 122.187 119.914 -0.034 0.000 2.407 464 V HA -0.095 4.026 4.120 0.002 0.000 0.248 464 V C 2.553 178.622 176.094 -0.041 0.000 1.055 464 V CA 1.578 63.857 62.300 -0.035 0.000 1.049 464 V CB -0.733 31.069 31.823 -0.035 0.000 0.662 464 V HN 0.458 nan 8.190 nan 0.000 0.455 465 V N 0.195 120.054 119.914 -0.091 0.000 2.809 465 V HA -0.131 3.990 4.120 0.002 0.000 0.256 465 V C 2.533 178.618 176.094 -0.015 0.000 1.080 465 V CA 1.513 63.742 62.300 -0.120 0.000 1.102 465 V CB -0.820 30.772 31.823 -0.385 0.000 0.705 465 V HN 0.542 nan 8.190 nan 0.000 0.475 466 A N 0.788 123.602 122.820 -0.009 0.000 1.897 466 A HA -0.209 4.112 4.320 0.002 0.000 0.215 466 A C 2.075 179.679 177.584 0.034 0.000 1.181 466 A CA 1.838 53.886 52.037 0.019 0.000 0.620 466 A CB -0.742 18.263 19.000 0.009 0.000 0.821 466 A HN 0.592 nan 8.150 nan 0.000 0.443 467 N N 0.215 118.926 118.700 0.017 0.000 2.061 467 N HA -0.206 4.535 4.740 0.002 0.000 0.193 467 N C 1.822 177.349 175.510 0.029 0.000 1.030 467 N CA 3.129 56.187 53.050 0.014 0.000 0.856 467 N CB -0.450 38.035 38.487 -0.004 0.000 1.023 467 N HN 0.526 nan 8.380 nan 0.000 0.424 468 T N -2.161 112.415 114.554 0.037 0.000 2.708 468 T HA -0.111 4.240 4.350 0.002 0.000 0.266 468 T C 2.004 176.815 174.700 0.186 0.000 1.037 468 T CA 1.685 63.819 62.100 0.058 0.000 1.146 468 T CB -1.007 67.836 68.868 -0.041 0.000 0.865 468 T HN 0.018 nan 8.240 nan 0.000 0.435 469 V N 1.845 121.878 119.914 0.199 0.000 2.515 469 V HA -0.080 4.041 4.120 0.002 0.000 0.250 469 V C 2.640 178.820 176.094 0.142 0.000 1.058 469 V CA 1.588 64.011 62.300 0.206 0.000 1.064 469 V CB -0.663 31.250 31.823 0.150 0.000 0.675 469 V HN 0.521 nan 8.190 nan 0.000 0.461 470 K N 0.183 120.638 120.400 0.091 0.000 2.365 470 K HA 0.008 4.329 4.320 0.002 0.000 0.199 470 K C 2.018 178.644 176.600 0.044 0.000 1.045 470 K CA 1.081 57.403 56.287 0.058 0.000 0.962 470 K CB -0.164 32.358 32.500 0.037 0.000 0.759 470 K HN 0.559 nan 8.250 nan 0.000 0.469 471 G N 0.522 109.349 108.800 0.046 0.000 2.673 471 G HA2 0.067 4.028 3.960 0.002 0.000 0.208 471 G HA3 0.067 4.028 3.960 0.002 0.000 0.208 471 G C 0.529 175.416 174.900 -0.022 0.000 1.128 471 G CA 0.038 45.142 45.100 0.007 0.000 0.805 471 G HN 0.278 nan 8.290 nan 0.000 0.526 472 G N -0.297 108.510 108.800 0.011 0.000 2.425 472 G HA2 0.479 4.441 3.960 0.002 0.000 0.302 472 G HA3 0.479 4.441 3.960 0.002 0.000 0.302 472 G C -1.573 173.356 174.900 0.048 0.000 1.159 472 G CA -0.152 44.883 45.100 -0.108 0.000 0.865 472 G HN 0.031 nan 8.290 nan 0.000 0.515 473 D N -0.862 119.528 120.400 -0.017 0.000 2.374 473 D HA 0.613 5.254 4.640 0.002 0.000 0.239 473 D C 0.924 177.281 176.300 0.095 0.000 0.991 473 D CA 1.000 55.024 54.000 0.041 0.000 0.960 473 D CB 1.738 42.534 40.800 -0.006 0.000 1.284 473 D HN 0.975 nan 8.370 nan 0.000 0.512 474 G N 1.890 110.739 108.800 0.082 0.000 2.539 474 G HA2 -0.290 3.671 3.960 0.002 0.000 0.256 474 G HA3 -0.290 3.671 3.960 0.002 0.000 0.256 474 G C 0.582 175.550 174.900 0.113 0.000 1.233 474 G CA 0.024 45.176 45.100 0.086 0.000 0.936 474 G HN 0.597 nan 8.290 nan 0.000 0.571 475 N N 0.312 119.075 118.700 0.105 0.000 2.501 475 N HA 0.024 4.766 4.740 0.002 0.000 0.195 475 N C 0.574 176.160 175.510 0.127 0.000 1.213 475 N CA 0.456 53.562 53.050 0.094 0.000 0.864 475 N CB -0.115 38.408 38.487 0.060 0.000 0.999 475 N HN 0.481 nan 8.380 nan 0.000 0.454 476 Y N 1.058 121.393 120.300 0.058 0.000 2.610 476 Y HA 0.256 4.807 4.550 0.002 0.000 0.332 476 Y C 1.007 176.981 175.900 0.124 0.000 1.201 476 Y CA 0.840 58.992 58.100 0.088 0.000 1.465 476 Y CB 0.285 38.794 38.460 0.082 0.000 1.283 476 Y HN 0.140 nan 8.280 nan 0.000 0.563 477 G N 3.399 111.878 108.800 -0.536 0.000 2.356 477 G HA2 0.081 4.042 3.960 0.002 0.000 0.281 477 G HA3 0.081 4.042 3.960 0.002 0.000 0.281 477 G C -2.379 172.352 174.900 -0.281 0.000 1.246 477 G CA -1.000 43.940 45.100 -0.268 0.000 0.889 477 G HN 0.579 nan 8.290 nan 0.000 0.486 478 Y N 2.137 122.197 120.300 -0.400 0.000 2.367 478 Y HA 0.573 5.124 4.550 0.002 0.000 0.342 478 Y C 0.412 176.068 175.900 -0.406 0.000 0.979 478 Y CA -1.413 56.270 58.100 -0.695 0.000 1.161 478 Y CB 1.112 39.215 38.460 -0.594 0.000 1.155 478 Y HN 0.423 nan 8.280 nan 0.000 0.503 479 N N 5.107 123.365 118.700 -0.737 0.000 2.434 479 N HA 0.028 4.769 4.740 0.002 0.000 0.273 479 N C 0.528 175.462 175.510 -0.959 0.000 1.210 479 N CA 0.628 53.301 53.050 -0.630 0.000 0.992 479 N CB 0.656 38.892 38.487 -0.418 0.000 1.355 479 N HN 0.852 nan 8.380 nan 0.000 0.495 480 A N 2.888 125.280 122.820 -0.714 0.000 2.248 480 A HA 0.079 4.400 4.320 0.002 0.000 0.210 480 A C 1.812 179.225 177.584 -0.286 0.000 1.174 480 A CA 1.205 52.945 52.037 -0.495 0.000 0.750 480 A CB -0.172 18.756 19.000 -0.120 0.000 0.780 480 A HN 0.681 nan 8.150 nan 0.000 0.478 481 A N -0.524 122.132 122.820 -0.273 0.000 1.887 481 A HA 0.079 4.400 4.320 0.002 0.000 0.210 481 A C 2.318 179.799 177.584 -0.171 0.000 1.221 481 A CA 1.781 53.715 52.037 -0.171 0.000 0.635 481 A CB -0.861 18.060 19.000 -0.132 0.000 0.881 481 A HN 0.673 nan 8.150 nan 0.000 0.456 482 T N -3.217 111.209 114.554 -0.213 0.000 3.067 482 T HA 0.170 4.521 4.350 0.002 0.000 0.257 482 T C 0.337 174.933 174.700 -0.172 0.000 1.105 482 T CA 1.018 63.021 62.100 -0.162 0.000 1.104 482 T CB -0.266 68.520 68.868 -0.136 0.000 0.925 482 T HN 0.576 nan 8.240 nan 0.000 0.498 483 E N 0.383 120.392 120.200 -0.319 0.000 3.016 483 E HA -0.112 4.239 4.350 0.002 0.000 0.310 483 E C -0.522 175.991 176.600 -0.145 0.000 0.923 483 E CA 0.371 56.618 56.400 -0.256 0.000 1.013 483 E CB -1.700 28.008 29.700 0.014 0.000 1.490 483 E HN 0.773 nan 8.360 nan 0.000 0.403 484 E N -0.983 118.994 120.200 -0.372 0.000 2.431 484 E HA 0.665 5.016 4.350 0.002 0.000 0.268 484 E C -0.908 175.501 176.600 -0.318 0.000 0.953 484 E CA -0.820 55.498 56.400 -0.135 0.000 0.810 484 E CB 1.368 31.025 29.700 -0.073 0.000 1.369 484 E HN 0.031 nan 8.360 nan 0.000 0.440 485 Y N -0.859 119.442 120.300 0.002 0.000 2.598 485 Y HA 0.730 5.281 4.550 0.002 0.000 0.340 485 Y C 0.566 176.420 175.900 -0.078 0.000 1.038 485 Y CA -0.056 58.004 58.100 -0.068 0.000 1.100 485 Y CB 2.566 41.035 38.460 0.014 0.000 1.281 485 Y HN 0.699 nan 8.280 nan 0.000 0.488 486 G N 0.892 109.664 108.800 -0.047 0.000 2.345 486 G HA2 0.016 3.977 3.960 0.002 0.000 0.285 486 G HA3 0.016 3.977 3.960 0.002 0.000 0.285 486 G C -1.857 173.033 174.900 -0.016 0.000 1.297 486 G CA -1.332 43.809 45.100 0.069 0.000 0.875 486 G HN 0.559 nan 8.290 nan 0.000 0.506 487 N N 0.932 119.701 118.700 0.114 0.000 2.438 487 N HA 0.159 4.900 4.740 0.002 0.000 0.267 487 N C 1.853 177.364 175.510 0.001 0.000 1.222 487 N CA -0.190 52.910 53.050 0.083 0.000 0.930 487 N CB 0.505 39.051 38.487 0.098 0.000 1.083 487 N HN 0.407 nan 8.380 nan 0.000 0.476 488 M N 3.453 123.038 119.600 -0.025 0.000 2.279 488 M HA -0.134 4.347 4.480 0.002 0.000 0.264 488 M C 1.359 177.645 176.300 -0.024 0.000 1.062 488 M CA 1.123 56.395 55.300 -0.046 0.000 1.099 488 M CB -0.486 32.089 32.600 -0.042 0.000 1.394 488 M HN 0.645 nan 8.290 nan 0.000 0.426 489 I N -0.494 120.076 120.570 -0.001 0.000 2.400 489 I HA -0.231 3.940 4.170 0.002 0.000 0.248 489 I C 1.998 178.115 176.117 0.001 0.000 1.109 489 I CA 0.883 62.185 61.300 0.002 0.000 1.425 489 I CB -0.389 37.619 38.000 0.013 0.000 1.094 489 I HN 0.232 nan 8.210 nan 0.000 0.425 490 D N 0.914 121.320 120.400 0.009 0.000 2.144 490 D HA -0.147 4.494 4.640 0.002 0.000 0.199 490 D C 2.191 178.487 176.300 -0.007 0.000 0.984 490 D CA 1.399 55.403 54.000 0.007 0.000 0.834 490 D CB -0.012 40.800 40.800 0.021 0.000 0.955 490 D HN 0.344 nan 8.370 nan 0.000 0.465 491 M N -0.349 119.239 119.600 -0.019 0.000 2.557 491 M HA 0.049 4.530 4.480 0.002 0.000 0.259 491 M C 0.984 177.257 176.300 -0.046 0.000 1.086 491 M CA 0.560 55.836 55.300 -0.041 0.000 1.096 491 M CB 0.308 32.866 32.600 -0.069 0.000 1.424 491 M HN -0.018 nan 8.290 nan 0.000 0.488 492 G N 2.100 110.879 108.800 -0.035 0.000 2.298 492 G HA2 -0.202 3.760 3.960 0.002 0.000 0.287 492 G HA3 -0.202 3.760 3.960 0.002 0.000 0.287 492 G C -0.106 174.767 174.900 -0.045 0.000 1.075 492 G CA -0.298 44.782 45.100 -0.033 0.000 0.960 492 G HN 0.438 nan 8.290 nan 0.000 0.502 493 I N 0.776 121.314 120.570 -0.052 0.000 3.010 493 I HA 0.319 4.490 4.170 0.002 0.000 0.330 493 I C 0.384 176.478 176.117 -0.038 0.000 1.334 493 I CA -0.599 60.665 61.300 -0.059 0.000 0.945 493 I CB -0.288 37.654 38.000 -0.095 0.000 2.027 493 I HN 0.293 nan 8.210 nan 0.000 0.564 494 L N -0.702 120.507 121.223 -0.024 0.000 2.333 494 L HA 0.818 5.159 4.340 0.002 0.000 0.269 494 L C -0.683 176.184 176.870 -0.006 0.000 1.010 494 L CA -0.449 54.384 54.840 -0.012 0.000 0.818 494 L CB 1.309 43.364 42.059 -0.006 0.000 1.306 494 L HN -0.142 nan 8.230 nan 0.000 0.430 495 D N 0.953 121.353 120.400 0.001 0.000 2.252 495 D HA 0.579 5.220 4.640 0.002 0.000 0.245 495 D C -2.661 173.645 176.300 0.010 0.000 1.009 495 D CA -1.397 52.606 54.000 0.006 0.000 0.870 495 D CB 1.966 42.772 40.800 0.009 0.000 1.251 495 D HN 0.446 nan 8.370 nan 0.000 0.460 496 P HA 0.088 nan 4.420 nan 0.000 0.271 496 P C 0.558 177.869 177.300 0.018 0.000 1.220 496 P CA -0.094 63.016 63.100 0.016 0.000 0.768 496 P CB 0.611 32.323 31.700 0.019 0.000 0.848 497 T N 2.376 116.939 114.554 0.016 0.000 2.803 497 T HA -0.209 4.142 4.350 0.002 0.000 0.269 497 T C 1.631 176.342 174.700 0.018 0.000 1.052 497 T CA 1.368 63.477 62.100 0.016 0.000 1.136 497 T CB -0.335 68.541 68.868 0.013 0.000 0.864 497 T HN 0.492 nan 8.240 nan 0.000 0.467 498 K N 0.916 121.328 120.400 0.020 0.000 2.089 498 K HA -0.176 4.145 4.320 0.002 0.000 0.210 498 K C 2.347 178.968 176.600 0.034 0.000 1.048 498 K CA 1.918 58.220 56.287 0.024 0.000 0.926 498 K CB -0.352 32.164 32.500 0.026 0.000 0.714 498 K HN 0.393 nan 8.250 nan 0.000 0.448 499 V N -1.603 118.332 119.914 0.034 0.000 2.535 499 V HA -0.102 4.019 4.120 0.002 0.000 0.246 499 V C 1.775 177.895 176.094 0.043 0.000 1.045 499 V CA 1.938 64.263 62.300 0.041 0.000 1.058 499 V CB -0.601 31.242 31.823 0.033 0.000 0.689 499 V HN 0.291 nan 8.190 nan 0.000 0.461 500 T N 0.449 115.023 114.554 0.032 0.000 2.701 500 T HA -0.146 4.205 4.350 0.002 0.000 0.263 500 T C 2.007 176.724 174.700 0.029 0.000 1.040 500 T CA 2.134 64.252 62.100 0.029 0.000 1.147 500 T CB -0.394 68.487 68.868 0.022 0.000 0.865 500 T HN 0.530 nan 8.240 nan 0.000 0.426 501 R N 0.903 121.415 120.500 0.021 0.000 2.083 501 R HA -0.105 4.236 4.340 0.002 0.000 0.237 501 R C 2.662 178.965 176.300 0.005 0.000 1.137 501 R CA 1.774 57.879 56.100 0.008 0.000 0.951 501 R CB -0.356 29.944 30.300 0.001 0.000 0.851 501 R HN 0.266 nan 8.270 nan 0.000 0.434 502 S N 0.345 116.063 115.700 0.030 0.000 2.368 502 S HA -0.137 4.334 4.470 0.002 0.000 0.225 502 S C 1.987 176.677 174.600 0.150 0.000 1.030 502 S CA 1.171 59.409 58.200 0.064 0.000 0.999 502 S CB -0.236 63.051 63.200 0.145 0.000 0.844 502 S HN 0.568 nan 8.310 nan 0.000 0.459 503 A N 1.326 124.226 122.820 0.133 0.000 1.933 503 A HA 0.002 4.323 4.320 0.002 0.000 0.218 503 A C 2.121 179.764 177.584 0.098 0.000 1.175 503 A CA 1.134 53.251 52.037 0.133 0.000 0.628 503 A CB -0.703 18.344 19.000 0.078 0.000 0.814 503 A HN 0.464 nan 8.150 nan 0.000 0.444 504 L N -0.783 120.471 121.223 0.052 0.000 2.017 504 L HA -0.264 4.077 4.340 0.002 0.000 0.208 504 L C 2.825 179.700 176.870 0.009 0.000 1.073 504 L CA 1.902 56.759 54.840 0.027 0.000 0.745 504 L CB -0.385 41.682 42.059 0.013 0.000 0.894 504 L HN 0.491 nan 8.230 nan 0.000 0.432 505 Q N -1.301 118.478 119.800 -0.036 0.000 2.050 505 Q HA -0.242 4.099 4.340 0.002 0.000 0.202 505 Q C 2.056 177.985 176.000 -0.117 0.000 0.980 505 Q CA 2.005 57.737 55.803 -0.117 0.000 0.840 505 Q CB -0.243 28.358 28.738 -0.227 0.000 0.898 505 Q HN 0.497 nan 8.270 nan 0.000 0.424 506 Y N 0.149 120.449 120.300 0.000 0.000 2.242 506 Y HA -0.177 4.374 4.550 0.002 0.000 0.291 506 Y C 2.343 178.243 175.900 0.001 0.000 1.137 506 Y CA 0.948 59.047 58.100 -0.000 0.000 1.181 506 Y CB -0.632 37.827 38.460 -0.002 0.000 0.989 506 Y HN 0.143 nan 8.280 nan 0.000 0.527 507 A N 0.077 122.986 122.820 0.148 0.000 1.877 507 A HA -0.170 4.151 4.320 0.002 0.000 0.216 507 A C 2.491 180.108 177.584 0.055 0.000 1.186 507 A CA 2.050 54.137 52.037 0.084 0.000 0.620 507 A CB -1.309 17.727 19.000 0.061 0.000 0.822 507 A HN 0.393 nan 8.150 nan 0.000 0.443 508 A N -0.945 121.896 122.820 0.035 0.000 1.908 508 A HA -0.126 4.195 4.320 0.002 0.000 0.218 508 A C 2.489 180.085 177.584 0.020 0.000 1.181 508 A CA 2.281 54.328 52.037 0.017 0.000 0.627 508 A CB -1.016 17.983 19.000 -0.002 0.000 0.818 508 A HN 0.555 nan 8.150 nan 0.000 0.445 509 S N -0.453 115.262 115.700 0.026 0.000 2.348 509 S HA -0.166 4.305 4.470 0.002 0.000 0.221 509 S C 2.081 176.714 174.600 0.055 0.000 1.033 509 S CA 2.245 60.467 58.200 0.036 0.000 1.010 509 S CB -0.812 62.416 63.200 0.047 0.000 0.891 509 S HN 0.993 nan 8.310 nan 0.000 0.442 510 V N 0.445 120.405 119.914 0.075 0.000 2.515 510 V HA 0.090 4.212 4.120 0.002 0.000 0.250 510 V C 2.451 178.567 176.094 0.038 0.000 1.058 510 V CA 1.617 63.952 62.300 0.058 0.000 1.064 510 V CB -1.650 30.207 31.823 0.057 0.000 0.675 510 V HN 0.502 nan 8.190 nan 0.000 0.461 511 A N 1.507 124.348 122.820 0.034 0.000 1.873 511 A HA 0.089 4.410 4.320 0.002 0.000 0.215 511 A C 2.422 180.019 177.584 0.020 0.000 1.186 511 A CA 1.881 53.933 52.037 0.024 0.000 0.616 511 A CB -1.540 17.474 19.000 0.022 0.000 0.823 511 A HN 0.690 nan 8.150 nan 0.000 0.442 512 G N -0.389 108.423 108.800 0.020 0.000 2.422 512 G HA2 -0.103 3.858 3.960 0.002 0.000 0.218 512 G HA3 -0.103 3.858 3.960 0.002 0.000 0.218 512 G C 1.423 176.333 174.900 0.018 0.000 1.146 512 G CA 1.195 46.304 45.100 0.015 0.000 0.769 512 G HN 0.337 nan 8.290 nan 0.000 0.547 513 L N 0.290 121.527 121.223 0.023 0.000 1.994 513 L HA 0.042 4.383 4.340 0.002 0.000 0.208 513 L C 3.059 179.942 176.870 0.021 0.000 1.071 513 L CA 1.562 56.416 54.840 0.023 0.000 0.745 513 L CB -0.454 41.623 42.059 0.029 0.000 0.892 513 L HN 0.197 nan 8.230 nan 0.000 0.431 514 M N -1.629 117.983 119.600 0.021 0.000 2.374 514 M HA -0.177 4.305 4.480 0.002 0.000 0.264 514 M C 2.183 178.492 176.300 0.015 0.000 1.067 514 M CA 1.405 56.715 55.300 0.018 0.000 1.103 514 M CB -0.304 32.306 32.600 0.017 0.000 1.402 514 M HN 0.233 nan 8.290 nan 0.000 0.444 515 I N -0.103 120.476 120.570 0.015 0.000 2.286 515 I HA -0.229 3.942 4.170 0.002 0.000 0.245 515 I C 2.477 178.603 176.117 0.015 0.000 1.104 515 I CA 1.717 63.025 61.300 0.013 0.000 1.397 515 I CB -0.381 37.626 38.000 0.012 0.000 1.072 515 I HN 0.377 nan 8.210 nan 0.000 0.417 516 T N -3.495 111.069 114.554 0.016 0.000 3.065 516 T HA 0.066 4.417 4.350 0.002 0.000 0.252 516 T C 0.905 175.618 174.700 0.020 0.000 1.099 516 T CA 0.044 62.154 62.100 0.017 0.000 1.063 516 T CB -0.469 68.408 68.868 0.015 0.000 0.948 516 T HN 0.023 nan 8.240 nan 0.000 0.506 517 T N 3.245 117.811 114.554 0.020 0.000 2.761 517 T HA 0.224 4.575 4.350 0.002 0.000 0.296 517 T C 0.530 175.245 174.700 0.025 0.000 0.934 517 T CA -0.354 61.759 62.100 0.022 0.000 1.091 517 T CB 1.033 69.912 68.868 0.019 0.000 0.896 517 T HN 0.214 nan 8.240 nan 0.000 0.515 518 E N 0.844 121.064 120.200 0.034 0.000 2.498 518 E HA 0.202 4.553 4.350 0.002 0.000 0.203 518 E C 0.110 176.744 176.600 0.056 0.000 1.013 518 E CA -0.023 56.408 56.400 0.052 0.000 0.927 518 E CB 0.572 30.313 29.700 0.068 0.000 1.012 518 E HN 0.526 nan 8.360 nan 0.000 0.482 519 C N 0.566 119.873 119.300 0.012 0.000 3.181 519 C HA 0.581 5.042 4.460 0.002 0.000 0.362 519 C C -1.594 173.363 174.990 -0.055 0.000 1.125 519 C CA -0.608 58.374 59.018 -0.060 0.000 1.265 519 C CB 0.633 28.336 27.740 -0.062 0.000 1.632 519 C HN 0.138 nan 8.230 nan 0.000 0.525 520 M N 5.158 124.714 119.600 -0.073 0.000 2.259 520 M HA 0.509 4.990 4.480 0.002 0.000 0.304 520 M C -0.926 175.380 176.300 0.011 0.000 1.019 520 M CA -0.582 54.732 55.300 0.023 0.000 0.922 520 M CB 1.995 34.706 32.600 0.184 0.000 1.600 520 M HN 0.396 nan 8.290 nan 0.000 0.433 521 V N 1.563 121.456 119.914 -0.035 0.000 2.427 521 V HA 0.528 4.649 4.120 0.002 0.000 0.286 521 V C 0.020 176.029 176.094 -0.142 0.000 1.034 521 V CA -0.418 61.839 62.300 -0.071 0.000 0.893 521 V CB 1.706 33.487 31.823 -0.070 0.000 0.982 521 V HN 0.888 nan 8.190 nan 0.000 0.452 522 T N 3.139 117.537 114.554 -0.260 0.000 2.863 522 T HA 0.288 4.639 4.350 0.002 0.000 0.285 522 T C -0.418 174.129 174.700 -0.254 0.000 1.009 522 T CA -0.540 61.317 62.100 -0.404 0.000 0.989 522 T CB 1.384 69.680 68.868 -0.953 0.000 1.004 522 T HN 0.836 nan 8.240 nan 0.000 0.455 523 D N 2.162 122.446 120.400 -0.195 0.000 2.369 523 D HA 0.166 4.808 4.640 0.002 0.000 0.241 523 D C -0.149 176.061 176.300 -0.149 0.000 1.271 523 D CA -0.066 53.853 54.000 -0.135 0.000 0.942 523 D CB 0.664 41.405 40.800 -0.098 0.000 1.129 523 D HN 0.483 nan 8.370 nan 0.000 0.476 524 L N 1.655 122.821 121.223 -0.096 0.000 2.599 524 L HA 0.561 4.902 4.340 0.002 0.000 0.241 524 L C -1.728 175.107 176.870 -0.057 0.000 1.207 524 L CA -0.452 54.342 54.840 -0.076 0.000 0.987 524 L CB 0.641 42.672 42.059 -0.046 0.000 1.318 524 L HN 0.413 nan 8.230 nan 0.000 0.458 525 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