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 2eq9_1_K DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.207 176.300 -0.155 0.000 1.140 7 M CA 0.000 55.202 55.300 -0.163 0.000 0.988 7 M CB 0.000 32.531 32.600 -0.114 0.000 1.302 8 K N 3.035 123.311 120.400 -0.207 0.000 2.349 8 K HA 0.453 4.774 4.320 0.001 0.000 0.288 8 K C -0.134 176.391 176.600 -0.124 0.000 1.058 8 K CA 0.098 56.282 56.287 -0.171 0.000 0.953 8 K CB 0.843 33.302 32.500 -0.068 0.000 0.997 8 K HN 0.568 nan 8.250 nan 0.000 0.477 9 T N 0.129 114.544 114.554 -0.231 0.000 2.855 9 T HA 0.614 4.964 4.350 0.001 0.000 0.281 9 T C -0.600 173.924 174.700 -0.294 0.000 1.007 9 T CA -0.755 61.281 62.100 -0.107 0.000 1.009 9 T CB 0.515 69.357 68.868 -0.043 0.000 0.983 9 T HN 0.317 nan 8.240 nan 0.000 0.455 10 Y N 0.040 120.386 120.300 0.076 0.000 2.633 10 Y HA 0.415 4.965 4.550 0.001 0.000 0.339 10 Y C 1.091 177.020 175.900 0.048 0.000 1.045 10 Y CA -1.348 56.787 58.100 0.059 0.000 1.098 10 Y CB 1.164 39.659 38.460 0.057 0.000 1.296 10 Y HN 0.535 nan 8.280 nan 0.000 0.494 11 D N 0.308 120.835 120.400 0.212 0.000 2.144 11 D HA -0.042 4.598 4.640 0.001 0.000 0.199 11 D C -0.238 176.139 176.300 0.129 0.000 0.984 11 D CA 1.649 55.727 54.000 0.130 0.000 0.834 11 D CB 0.231 41.091 40.800 0.099 0.000 0.955 11 D HN 0.248 nan 8.370 nan 0.000 0.465 12 L N -0.481 120.825 121.223 0.138 0.000 2.466 12 L HA 0.467 4.808 4.340 0.001 0.000 0.258 12 L C -1.820 175.076 176.870 0.044 0.000 0.973 12 L CA -0.609 54.286 54.840 0.090 0.000 0.826 12 L CB 2.348 44.438 42.059 0.051 0.000 1.372 12 L HN -0.217 nan 8.230 nan 0.000 0.409 13 I N 4.306 124.893 120.570 0.028 0.000 2.499 13 I HA 0.558 4.729 4.170 0.001 0.000 0.288 13 I C -1.134 174.963 176.117 -0.033 0.000 1.048 13 I CA -0.848 60.427 61.300 -0.041 0.000 1.062 13 I CB 2.176 40.171 38.000 -0.008 0.000 1.238 13 I HN 0.285 nan 8.210 nan 0.000 0.426 14 V N 7.018 126.889 119.914 -0.071 0.000 2.555 14 V HA 0.464 4.584 4.120 0.001 0.000 0.302 14 V C -0.034 176.014 176.094 -0.076 0.000 1.038 14 V CA -0.536 61.733 62.300 -0.050 0.000 0.887 14 V CB 2.297 34.096 31.823 -0.041 0.000 0.991 14 V HN 0.468 nan 8.190 nan 0.000 0.434 15 I N 4.374 124.904 120.570 -0.067 0.000 2.347 15 I HA 0.696 4.867 4.170 0.001 0.000 0.283 15 I C 0.610 176.680 176.117 -0.079 0.000 1.058 15 I CA 0.027 61.269 61.300 -0.098 0.000 1.202 15 I CB 1.006 38.935 38.000 -0.118 0.000 1.386 15 I HN 0.892 nan 8.210 nan 0.000 0.475 16 G N 2.991 111.750 108.800 -0.069 0.000 3.101 16 G HA2 -0.074 3.886 3.960 0.001 0.000 0.672 16 G HA3 -0.074 3.886 3.960 0.001 0.000 0.672 16 G C -0.091 174.809 174.900 0.000 0.000 1.331 16 G CA -0.400 44.677 45.100 -0.038 0.000 0.925 16 G HN 0.573 nan 8.290 nan 0.000 0.596 17 T N 0.118 114.690 114.554 0.029 0.000 3.243 17 T HA 0.602 4.953 4.350 0.001 0.000 0.264 17 T C 1.371 176.192 174.700 0.202 0.000 1.000 17 T CA 0.867 63.028 62.100 0.102 0.000 0.901 17 T CB 0.716 69.619 68.868 0.058 0.000 1.083 17 T HN 1.531 nan 8.240 nan 0.000 0.559 18 G N 2.155 111.032 108.800 0.127 0.000 2.516 18 G HA2 0.420 4.380 3.960 0.001 0.000 0.276 18 G HA3 0.420 4.380 3.960 0.001 0.000 0.276 18 G C -1.523 173.440 174.900 0.105 0.000 1.390 18 G CA -1.413 43.769 45.100 0.136 0.000 1.050 18 G HN 0.060 nan 8.290 nan 0.000 0.519 19 P HA -0.136 nan 4.420 nan 0.000 0.214 19 P C 2.088 179.064 177.300 -0.540 0.000 1.169 19 P CA 2.230 65.100 63.100 -0.382 0.000 0.908 19 P CB -0.164 31.401 31.700 -0.226 0.000 0.791 20 G N -0.999 107.629 108.800 -0.286 0.000 2.422 20 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 20 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 20 G C 1.770 176.590 174.900 -0.132 0.000 1.146 20 G CA 1.012 45.988 45.100 -0.206 0.000 0.769 20 G HN 0.392 nan 8.290 nan 0.000 0.547 21 G N 0.588 109.335 108.800 -0.089 0.000 2.414 21 G HA2 -0.180 3.780 3.960 0.001 0.000 0.215 21 G HA3 -0.180 3.780 3.960 0.001 0.000 0.215 21 G C 1.685 176.608 174.900 0.038 0.000 1.188 21 G CA 1.212 46.303 45.100 -0.015 0.000 0.783 21 G HN 0.655 nan 8.290 nan 0.000 0.537 22 Y N -0.516 119.813 120.300 0.048 0.000 2.509 22 Y HA 0.220 4.770 4.550 0.001 0.000 0.293 22 Y C 2.335 178.251 175.900 0.026 0.000 1.133 22 Y CA 1.013 59.129 58.100 0.026 0.000 1.283 22 Y CB -0.610 37.861 38.460 0.018 0.000 1.001 22 Y HN 0.256 nan 8.280 nan 0.000 0.555 23 H N 0.607 119.502 119.070 -0.291 0.000 2.343 23 H HA 0.171 4.728 4.556 0.001 0.000 0.303 23 H C 2.374 177.645 175.328 -0.094 0.000 1.068 23 H CA 1.496 57.426 56.048 -0.196 0.000 1.359 23 H CB -0.401 29.186 29.762 -0.292 0.000 1.402 23 H HN 0.427 nan 8.280 nan 0.000 0.515 24 A N 0.701 123.534 122.820 0.021 0.000 1.908 24 A HA -0.160 4.160 4.320 0.001 0.000 0.218 24 A C 2.478 180.048 177.584 -0.024 0.000 1.181 24 A CA 1.894 53.919 52.037 -0.020 0.000 0.627 24 A CB -1.068 17.909 19.000 -0.039 0.000 0.818 24 A HN 0.477 nan 8.150 nan 0.000 0.445 25 A N -0.313 122.504 122.820 -0.005 0.000 1.897 25 A HA 0.025 4.345 4.320 0.001 0.000 0.215 25 A C 2.131 179.709 177.584 -0.010 0.000 1.181 25 A CA 1.352 53.384 52.037 -0.008 0.000 0.620 25 A CB -0.507 18.495 19.000 0.003 0.000 0.821 25 A HN 0.478 nan 8.150 nan 0.000 0.443 26 I N -1.027 119.541 120.570 -0.004 0.000 2.202 26 I HA -0.210 3.960 4.170 0.001 0.000 0.242 26 I C 2.693 178.788 176.117 -0.037 0.000 1.091 26 I CA 1.586 62.872 61.300 -0.023 0.000 1.368 26 I CB -0.250 37.726 38.000 -0.039 0.000 1.058 26 I HN 0.274 nan 8.210 nan 0.000 0.410 27 R N 1.882 122.355 120.500 -0.045 0.000 2.073 27 R HA -0.105 4.235 4.340 0.001 0.000 0.234 27 R C 2.215 178.498 176.300 -0.029 0.000 1.134 27 R CA 1.970 58.046 56.100 -0.039 0.000 0.952 27 R CB -0.959 29.320 30.300 -0.034 0.000 0.850 27 R HN 0.321 nan 8.270 nan 0.000 0.433 28 A N 0.310 123.112 122.820 -0.030 0.000 1.948 28 A HA -0.133 4.187 4.320 0.001 0.000 0.220 28 A C 2.387 179.965 177.584 -0.011 0.000 1.177 28 A CA 2.155 54.178 52.037 -0.024 0.000 0.636 28 A CB -1.111 17.872 19.000 -0.027 0.000 0.815 28 A HN 0.519 nan 8.150 nan 0.000 0.449 29 A N -0.768 122.045 122.820 -0.012 0.000 1.898 29 A HA -0.177 4.143 4.320 0.001 0.000 0.216 29 A C 2.086 179.666 177.584 -0.006 0.000 1.181 29 A CA 1.510 53.543 52.037 -0.006 0.000 0.620 29 A CB -0.585 18.409 19.000 -0.010 0.000 0.819 29 A HN 0.659 nan 8.150 nan 0.000 0.442 30 Q N -0.268 119.524 119.800 -0.014 0.000 2.181 30 Q HA -0.084 4.256 4.340 0.001 0.000 0.205 30 Q C 1.615 177.610 176.000 -0.008 0.000 0.980 30 Q CA 1.277 57.072 55.803 -0.014 0.000 0.862 30 Q CB -0.376 28.349 28.738 -0.021 0.000 0.905 30 Q HN 0.660 nan 8.270 nan 0.000 0.429 31 L N -0.802 120.417 121.223 -0.007 0.000 2.610 31 L HA 0.088 4.428 4.340 0.001 0.000 0.232 31 L C 1.230 178.103 176.870 0.004 0.000 1.149 31 L CA 0.529 55.368 54.840 -0.002 0.000 0.872 31 L CB -0.134 41.922 42.059 -0.004 0.000 0.992 31 L HN 0.482 nan 8.230 nan 0.000 0.447 32 G N -0.386 108.418 108.800 0.006 0.000 2.195 32 G HA2 -0.227 3.733 3.960 0.001 0.000 0.224 32 G HA3 -0.227 3.733 3.960 0.001 0.000 0.224 32 G C 0.337 175.249 174.900 0.022 0.000 0.990 32 G CA -0.382 44.725 45.100 0.013 0.000 0.639 32 G HN 0.156 nan 8.290 nan 0.000 0.514 33 L N 0.574 121.810 121.223 0.023 0.000 2.476 33 L HA 0.570 4.911 4.340 0.001 0.000 0.264 33 L C 1.104 178.005 176.870 0.050 0.000 1.224 33 L CA 0.403 55.265 54.840 0.036 0.000 0.821 33 L CB 0.292 42.370 42.059 0.032 0.000 1.101 33 L HN 0.332 nan 8.230 nan 0.000 0.488 34 K N 2.105 122.554 120.400 0.082 0.000 2.281 34 K HA 0.602 4.923 4.320 0.001 0.000 0.272 34 K C -0.821 175.864 176.600 0.141 0.000 1.048 34 K CA -0.449 55.917 56.287 0.131 0.000 0.898 34 K CB 0.929 33.535 32.500 0.176 0.000 1.128 34 K HN 0.376 nan 8.250 nan 0.000 0.460 35 V N 1.686 121.631 119.914 0.053 0.000 2.815 35 V HA 0.651 4.771 4.120 0.001 0.000 0.314 35 V C -0.776 175.165 176.094 -0.254 0.000 1.064 35 V CA -1.110 61.157 62.300 -0.055 0.000 0.952 35 V CB 1.758 33.552 31.823 -0.048 0.000 1.020 35 V HN 0.798 nan 8.190 nan 0.000 0.439 36 L N 3.043 124.025 121.223 -0.402 0.000 2.343 36 L HA 0.866 5.207 4.340 0.001 0.000 0.278 36 L C 0.062 176.742 176.870 -0.317 0.000 0.996 36 L CA -0.333 54.161 54.840 -0.577 0.000 0.831 36 L CB 1.101 42.570 42.059 -0.984 0.000 1.232 36 L HN 0.804 nan 8.230 nan 0.000 0.413 37 A N 5.162 127.838 122.820 -0.241 0.000 2.274 37 A HA 0.725 5.045 4.320 0.001 0.000 0.309 37 A C -0.927 176.556 177.584 -0.169 0.000 1.226 37 A CA -0.462 51.482 52.037 -0.155 0.000 0.853 37 A CB 0.796 19.739 19.000 -0.096 0.000 1.146 37 A HN 0.524 nan 8.150 nan 0.000 0.518 38 V N 2.622 122.447 119.914 -0.149 0.000 2.448 38 V HA 0.530 4.651 4.120 0.001 0.000 0.295 38 V C -0.442 175.590 176.094 -0.103 0.000 1.025 38 V CA -0.422 61.788 62.300 -0.150 0.000 0.859 38 V CB 1.438 33.152 31.823 -0.180 0.000 0.988 38 V HN 0.971 nan 8.190 nan 0.000 0.431 39 E N 3.648 123.801 120.200 -0.078 0.000 2.241 39 E HA 0.675 5.025 4.350 0.001 0.000 0.263 39 E C 0.115 176.706 176.600 -0.015 0.000 0.882 39 E CA -0.320 56.053 56.400 -0.044 0.000 0.769 39 E CB 1.854 31.536 29.700 -0.030 0.000 1.185 39 E HN 0.673 nan 8.360 nan 0.000 0.415 40 A N 3.082 125.907 122.820 0.008 0.000 2.337 40 A HA 0.564 4.885 4.320 0.001 0.000 0.227 40 A C 0.883 178.513 177.584 0.075 0.000 1.259 40 A CA 0.836 52.926 52.037 0.089 0.000 0.870 40 A CB -0.084 19.044 19.000 0.213 0.000 0.927 40 A HN 0.646 nan 8.150 nan 0.000 0.497 41 G N -1.189 107.631 108.800 0.034 0.000 3.319 41 G HA2 0.406 4.367 3.960 0.001 0.000 0.158 41 G HA3 0.406 4.367 3.960 0.001 0.000 0.158 41 G C -1.220 173.681 174.900 0.002 0.000 1.205 41 G CA -0.342 44.770 45.100 0.021 0.000 1.252 41 G HN 0.040 nan 8.290 nan 0.000 0.668 42 E N 0.611 120.808 120.200 -0.005 0.000 2.266 42 E HA 0.507 4.857 4.350 0.001 0.000 0.277 42 E C -0.159 176.432 176.600 -0.016 0.000 1.018 42 E CA -0.494 55.897 56.400 -0.016 0.000 0.840 42 E CB 2.219 31.905 29.700 -0.023 0.000 1.082 42 E HN 0.147 nan 8.360 nan 0.000 0.395 43 V N 1.920 121.817 119.914 -0.028 0.000 2.585 43 V HA 0.326 4.446 4.120 0.001 0.000 0.296 43 V C 1.423 177.496 176.094 -0.035 0.000 1.035 43 V CA 1.610 63.890 62.300 -0.034 0.000 1.084 43 V CB 0.693 32.478 31.823 -0.063 0.000 0.953 43 V HN 1.007 nan 8.190 nan 0.000 0.483 44 G N 3.049 111.853 108.800 0.006 0.000 2.238 44 G HA2 0.097 4.058 3.960 0.001 0.000 0.217 44 G HA3 0.097 4.058 3.960 0.001 0.000 0.217 44 G C 0.916 175.872 174.900 0.094 0.000 0.996 44 G CA 0.155 45.282 45.100 0.044 0.000 0.632 44 G HN 2.161 nan 8.290 nan 0.000 0.503 45 G N -1.162 107.670 108.800 0.053 0.000 2.569 45 G HA2 -0.065 3.895 3.960 0.001 0.000 0.259 45 G HA3 -0.065 3.895 3.960 0.001 0.000 0.259 45 G C 1.110 176.020 174.900 0.017 0.000 1.263 45 G CA 1.243 46.366 45.100 0.037 0.000 0.928 45 G HN 1.285 nan 8.290 nan 0.000 0.572 46 V N 0.034 119.954 119.914 0.011 0.000 2.358 46 V HA -0.200 3.921 4.120 0.001 0.000 0.246 46 V C 3.113 179.204 176.094 -0.006 0.000 1.047 46 V CA 2.810 65.108 62.300 -0.003 0.000 1.035 46 V CB -0.885 30.936 31.823 -0.003 0.000 0.658 46 V HN 1.070 nan 8.190 nan 0.000 0.452 47 c N -0.144 118.459 118.600 0.005 0.000 2.413 47 c HA -0.160 4.410 4.570 0.001 0.000 0.276 47 c C 2.537 176.621 174.090 -0.010 0.000 1.236 47 c CA 1.315 57.644 56.329 0.000 0.000 1.735 47 c CB -0.992 41.527 42.510 0.016 0.000 2.031 47 c HN 0.516 nan 8.230 nan 0.000 0.474 48 L N 1.270 122.497 121.223 0.007 0.000 2.131 48 L HA 0.037 4.377 4.340 0.001 0.000 0.206 48 L C 2.421 179.263 176.870 -0.048 0.000 1.087 48 L CA 1.615 56.443 54.840 -0.020 0.000 0.767 48 L CB -0.819 41.234 42.059 -0.010 0.000 0.917 48 L HN 0.434 nan 8.230 nan 0.000 0.441 49 N N -0.672 118.005 118.700 -0.037 0.000 2.258 49 N HA 0.014 4.755 4.740 0.001 0.000 0.183 49 N C 1.247 176.724 175.510 -0.055 0.000 1.029 49 N CA 1.723 54.744 53.050 -0.049 0.000 0.857 49 N CB 0.555 39.019 38.487 -0.038 0.000 1.008 49 N HN 0.306 nan 8.380 nan 0.000 0.433 50 V N -3.269 116.618 119.914 -0.045 0.000 3.199 50 V HA 0.613 4.734 4.120 0.001 0.000 0.331 50 V C 0.654 176.725 176.094 -0.039 0.000 1.446 50 V CA 0.005 62.276 62.300 -0.048 0.000 1.120 50 V CB 0.542 32.335 31.823 -0.050 0.000 1.051 50 V HN 0.136 nan 8.190 nan 0.000 0.495 51 G N -0.222 108.556 108.800 -0.036 0.000 3.069 51 G HA2 0.173 4.133 3.960 0.001 0.000 0.205 51 G HA3 0.173 4.133 3.960 0.001 0.000 0.205 51 G C 1.054 175.927 174.900 -0.045 0.000 1.771 51 G CA 0.728 45.811 45.100 -0.028 0.000 0.739 51 G HN 0.264 nan 8.290 nan 0.000 0.784 52 c N 0.997 119.566 118.600 -0.051 0.000 2.303 52 c HA -0.171 4.400 4.570 0.001 0.000 0.273 52 c C 2.800 176.813 174.090 -0.129 0.000 1.154 52 c CA 0.931 57.202 56.329 -0.097 0.000 1.784 52 c CB -1.329 41.133 42.510 -0.080 0.000 1.993 52 c HN 0.434 nan 8.230 nan 0.000 0.430 53 I N 2.437 122.943 120.570 -0.106 0.000 2.069 53 I HA -0.144 4.027 4.170 0.001 0.000 0.237 53 I C 0.174 176.208 176.117 -0.138 0.000 1.053 53 I CA 2.016 63.241 61.300 -0.125 0.000 1.311 53 I CB -3.030 34.901 38.000 -0.114 0.000 1.030 53 I HN 0.293 nan 8.210 nan 0.000 0.398 54 P HA -0.129 nan 4.420 nan 0.000 0.216 54 P C 1.649 178.905 177.300 -0.074 0.000 1.150 54 P CA 1.778 64.806 63.100 -0.120 0.000 0.837 54 P CB -0.268 31.374 31.700 -0.097 0.000 0.786 55 T N 0.197 114.717 114.554 -0.056 0.000 2.737 55 T HA -0.094 4.257 4.350 0.001 0.000 0.265 55 T C 1.850 176.543 174.700 -0.011 0.000 1.038 55 T CA 1.585 63.674 62.100 -0.018 0.000 1.144 55 T CB -0.428 68.433 68.868 -0.012 0.000 0.866 55 T HN 0.078 nan 8.240 nan 0.000 0.434 56 K N 1.515 121.871 120.400 -0.074 0.000 2.097 56 K HA 0.125 4.446 4.320 0.001 0.000 0.206 56 K C 2.333 178.970 176.600 0.062 0.000 1.049 56 K CA 1.112 57.364 56.287 -0.060 0.000 0.933 56 K CB -0.662 31.727 32.500 -0.184 0.000 0.717 56 K HN 0.324 nan 8.250 nan 0.000 0.442 57 A N 0.461 123.291 122.820 0.017 0.000 1.902 57 A HA -0.116 4.204 4.320 0.001 0.000 0.217 57 A C 2.093 179.879 177.584 0.336 0.000 1.181 57 A CA 1.300 53.398 52.037 0.103 0.000 0.623 57 A CB -0.599 18.216 19.000 -0.310 0.000 0.818 57 A HN 0.202 nan 8.150 nan 0.000 0.443 58 L N -0.793 120.533 121.223 0.171 0.000 2.056 58 L HA -0.133 4.207 4.340 0.001 0.000 0.207 58 L C 2.542 179.497 176.870 0.142 0.000 1.078 58 L CA 0.854 55.786 54.840 0.153 0.000 0.749 58 L CB -0.563 41.530 42.059 0.057 0.000 0.901 58 L HN 0.352 nan 8.230 nan 0.000 0.433 59 L N -0.738 120.570 121.223 0.141 0.000 2.079 59 L HA -0.278 4.062 4.340 0.001 0.000 0.210 59 L C 2.717 179.692 176.870 0.174 0.000 1.081 59 L CA 1.297 56.222 54.840 0.142 0.000 0.752 59 L CB -0.622 41.532 42.059 0.159 0.000 0.896 59 L HN 0.335 nan 8.230 nan 0.000 0.433 60 H N -0.107 119.051 119.070 0.147 0.000 2.357 60 H HA -0.114 4.442 4.556 0.001 0.000 0.301 60 H C 2.090 177.474 175.328 0.092 0.000 1.082 60 H CA 1.478 57.610 56.048 0.141 0.000 1.342 60 H CB 0.050 29.938 29.762 0.209 0.000 1.389 60 H HN 0.275 nan 8.280 nan 0.000 0.511 61 A N 0.781 123.597 122.820 -0.006 0.000 1.902 61 A HA -0.044 4.276 4.320 0.001 0.000 0.217 61 A C 2.621 180.146 177.584 -0.098 0.000 1.181 61 A CA 1.752 53.707 52.037 -0.137 0.000 0.623 61 A CB -1.313 17.681 19.000 -0.010 0.000 0.818 61 A HN 0.607 nan 8.150 nan 0.000 0.443 62 A N -0.278 122.531 122.820 -0.019 0.000 1.902 62 A HA -0.127 4.194 4.320 0.001 0.000 0.217 62 A C 1.979 179.586 177.584 0.037 0.000 1.181 62 A CA 2.127 54.168 52.037 0.007 0.000 0.623 62 A CB -0.446 18.564 19.000 0.017 0.000 0.818 62 A HN 0.546 nan 8.150 nan 0.000 0.443 63 E N -0.078 120.136 120.200 0.023 0.000 2.072 63 E HA -0.115 4.235 4.350 0.001 0.000 0.191 63 E C 1.971 178.608 176.600 0.061 0.000 0.985 63 E CA 2.102 58.542 56.400 0.068 0.000 0.801 63 E CB -0.741 28.995 29.700 0.060 0.000 0.750 63 E HN 0.476 nan 8.360 nan 0.000 0.452 64 T N 1.259 115.759 114.554 -0.091 0.000 2.684 64 T HA -0.165 4.186 4.350 0.001 0.000 0.267 64 T C 1.717 176.412 174.700 -0.007 0.000 1.036 64 T CA 1.435 63.479 62.100 -0.094 0.000 1.148 64 T CB -0.472 68.235 68.868 -0.267 0.000 0.863 64 T HN 0.193 nan 8.240 nan 0.000 0.436 65 L N 0.782 121.993 121.223 -0.020 0.000 1.994 65 L HA -0.078 4.263 4.340 0.001 0.000 0.208 65 L C 2.301 179.191 176.870 0.033 0.000 1.071 65 L CA 2.206 57.044 54.840 -0.003 0.000 0.745 65 L CB -1.058 40.997 42.059 -0.006 0.000 0.892 65 L HN 0.362 nan 8.230 nan 0.000 0.431 66 H N -1.551 117.521 119.070 0.004 0.000 2.319 66 H HA -0.268 4.289 4.556 0.001 0.000 0.299 66 H C 2.264 177.615 175.328 0.039 0.000 1.092 66 H CA 2.230 58.290 56.048 0.021 0.000 1.302 66 H CB -0.297 29.488 29.762 0.039 0.000 1.373 66 H HN 0.637 nan 8.280 nan 0.000 0.497 67 H N -0.048 119.005 119.070 -0.028 0.000 2.489 67 H HA -0.073 4.483 4.556 0.001 0.000 0.295 67 H C 2.094 177.335 175.328 -0.146 0.000 1.082 67 H CA 1.315 57.324 56.048 -0.065 0.000 1.295 67 H CB -0.317 29.473 29.762 0.047 0.000 1.380 67 H HN 0.408 nan 8.280 nan 0.000 0.548 68 L N -0.153 120.968 121.223 -0.171 0.000 2.191 68 L HA -0.194 4.146 4.340 0.001 0.000 0.212 68 L C 2.303 178.981 176.870 -0.320 0.000 1.103 68 L CA 1.371 56.077 54.840 -0.223 0.000 0.769 68 L CB -0.285 41.699 42.059 -0.125 0.000 0.908 68 L HN 0.329 nan 8.230 nan 0.000 0.438 69 K N -0.414 119.780 120.400 -0.343 0.000 2.057 69 K HA -0.127 4.193 4.320 0.001 0.000 0.207 69 K C 2.036 178.414 176.600 -0.370 0.000 1.049 69 K CA 1.106 57.199 56.287 -0.324 0.000 0.931 69 K CB -0.230 32.068 32.500 -0.336 0.000 0.714 69 K HN 0.096 nan 8.250 nan 0.000 0.440 70 V N 1.438 121.076 119.914 -0.460 0.000 2.453 70 V HA -0.190 3.931 4.120 0.001 0.000 0.247 70 V C 2.293 177.954 176.094 -0.722 0.000 1.048 70 V CA 1.789 63.811 62.300 -0.464 0.000 1.049 70 V CB -0.522 31.065 31.823 -0.394 0.000 0.672 70 V HN 0.343 nan 8.190 nan 0.000 0.457 71 A N -0.375 121.892 122.820 -0.922 0.000 2.024 71 A HA -0.269 4.052 4.320 0.001 0.000 0.220 71 A C 2.117 179.057 177.584 -1.075 0.000 1.164 71 A CA 1.866 53.066 52.037 -1.395 0.000 0.643 71 A CB -0.459 18.128 19.000 -0.689 0.000 0.806 71 A HN 0.640 nan 8.150 nan 0.000 0.451 72 E N -0.717 119.139 120.200 -0.574 0.000 2.118 72 E HA -0.164 4.187 4.350 0.001 0.000 0.195 72 E C 2.112 178.516 176.600 -0.326 0.000 0.992 72 E CA 0.726 56.917 56.400 -0.347 0.000 0.804 72 E CB -0.414 29.145 29.700 -0.234 0.000 0.741 72 E HN 0.652 nan 8.360 nan 0.000 0.458 73 G N 1.454 110.018 108.800 -0.394 0.000 2.475 73 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 73 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 73 G C 0.991 175.829 174.900 -0.102 0.000 1.125 73 G CA 0.972 45.934 45.100 -0.230 0.000 0.755 73 G HN 0.352 nan 8.290 nan 0.000 0.565 74 F N -1.035 118.885 119.950 -0.049 0.000 2.837 74 F HA 0.608 5.135 4.527 0.001 0.000 0.298 74 F C 1.291 177.074 175.800 -0.028 0.000 1.161 74 F CA -1.640 56.342 58.000 -0.031 0.000 1.353 74 F CB -0.099 38.888 39.000 -0.021 0.000 0.951 74 F HN 0.164 nan 8.300 nan 0.000 0.508 75 G N 0.757 109.608 108.800 0.085 0.000 2.199 75 G HA2 -0.294 3.667 3.960 0.001 0.000 0.254 75 G HA3 -0.294 3.667 3.960 0.001 0.000 0.254 75 G C -0.321 174.606 174.900 0.045 0.000 0.982 75 G CA 0.008 45.149 45.100 0.067 0.000 0.632 75 G HN 0.500 nan 8.290 nan 0.000 0.529 76 L N 1.664 122.896 121.223 0.016 0.000 2.342 76 L HA 0.700 5.041 4.340 0.001 0.000 0.285 76 L C 0.526 177.350 176.870 -0.076 0.000 1.095 76 L CA 0.307 55.146 54.840 -0.002 0.000 0.843 76 L CB -0.247 41.831 42.059 0.032 0.000 1.201 76 L HN 0.571 nan 8.230 nan 0.000 0.445 77 K N 3.999 124.373 120.400 -0.042 0.000 2.206 77 K HA 0.965 5.285 4.320 0.001 0.000 0.264 77 K C -0.519 176.056 176.600 -0.042 0.000 0.967 77 K CA 0.007 56.262 56.287 -0.053 0.000 0.844 77 K CB 1.426 33.903 32.500 -0.039 0.000 1.099 77 K HN 1.092 nan 8.250 nan 0.000 0.441 81 P HA 0.556 nan 4.420 nan 0.000 0.271 81 P C -0.314 176.969 177.300 -0.028 0.000 1.220 81 P CA 0.388 63.467 63.100 -0.035 0.000 0.768 81 P CB 1.279 32.954 31.700 -0.041 0.000 0.848 82 E N 2.645 122.829 120.200 -0.027 0.000 2.260 82 E HA 0.466 4.816 4.350 0.001 0.000 0.266 82 E C -1.764 174.821 176.600 -0.026 0.000 0.887 82 E CA -0.852 55.535 56.400 -0.021 0.000 0.777 82 E CB 1.557 31.246 29.700 -0.018 0.000 1.205 82 E HN 0.533 nan 8.360 nan 0.000 0.414 83 L N 2.349 123.559 121.223 -0.023 0.000 2.294 83 L HA 0.445 4.786 4.340 0.001 0.000 0.283 83 L C -0.612 176.247 176.870 -0.017 0.000 1.015 83 L CA -0.703 54.120 54.840 -0.027 0.000 0.831 83 L CB 1.939 43.979 42.059 -0.031 0.000 1.217 83 L HN 0.625 nan 8.230 nan 0.000 0.420 84 D N 4.750 125.140 120.400 -0.016 0.000 2.344 84 D HA 0.073 4.714 4.640 0.001 0.000 0.253 84 D C 1.145 177.446 176.300 0.001 0.000 1.255 84 D CA 0.138 54.135 54.000 -0.005 0.000 0.894 84 D CB 0.809 41.606 40.800 -0.004 0.000 1.067 84 D HN 0.677 nan 8.370 nan 0.000 0.492 85 L N 3.595 124.820 121.223 0.003 0.000 2.191 85 L HA -0.133 4.208 4.340 0.001 0.000 0.212 85 L C 2.421 179.301 176.870 0.016 0.000 1.103 85 L CA 0.810 55.653 54.840 0.005 0.000 0.769 85 L CB -0.159 41.900 42.059 -0.001 0.000 0.908 85 L HN 0.384 nan 8.230 nan 0.000 0.438 86 K N 0.698 121.109 120.400 0.017 0.000 2.057 86 K HA -0.228 4.093 4.320 0.001 0.000 0.206 86 K C 2.208 178.830 176.600 0.036 0.000 1.050 86 K CA 1.331 57.631 56.287 0.021 0.000 0.935 86 K CB 0.135 32.645 32.500 0.017 0.000 0.715 86 K HN -0.037 nan 8.250 nan 0.000 0.439 87 K N 0.697 121.119 120.400 0.036 0.000 2.057 87 K HA -0.133 4.188 4.320 0.001 0.000 0.206 87 K C 1.984 178.644 176.600 0.100 0.000 1.050 87 K CA 0.979 57.297 56.287 0.052 0.000 0.935 87 K CB -0.291 32.223 32.500 0.023 0.000 0.715 87 K HN 0.101 nan 8.250 nan 0.000 0.439 88 L N 0.337 121.612 121.223 0.086 0.000 2.042 88 L HA -0.046 4.295 4.340 0.001 0.000 0.210 88 L C 2.051 179.037 176.870 0.194 0.000 1.076 88 L CA 2.468 57.400 54.840 0.153 0.000 0.749 88 L CB -1.194 40.916 42.059 0.085 0.000 0.893 88 L HN 0.295 nan 8.230 nan 0.000 0.432 89 G N -1.225 107.633 108.800 0.097 0.000 2.418 89 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 89 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 89 G C 1.513 176.448 174.900 0.058 0.000 1.158 89 G CA 0.548 45.682 45.100 0.056 0.000 0.771 89 G HN 0.613 nan 8.290 nan 0.000 0.545 90 G N -0.208 108.640 108.800 0.081 0.000 2.422 90 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 90 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 90 G C 1.559 176.527 174.900 0.113 0.000 1.146 90 G CA 0.942 46.086 45.100 0.073 0.000 0.769 90 G HN 0.472 nan 8.290 nan 0.000 0.547 91 W N 1.410 122.705 121.300 -0.009 0.000 2.379 91 W HA -0.002 4.659 4.660 0.001 0.000 0.307 91 W C 2.668 179.183 176.519 -0.006 0.000 1.200 91 W CA 1.440 58.783 57.345 -0.004 0.000 1.297 91 W CB -0.302 29.161 29.460 0.005 0.000 1.140 91 W HN 0.112 nan 8.180 nan 0.000 0.507 92 R N 0.454 120.872 120.500 -0.137 0.000 2.096 92 R HA -0.210 4.130 4.340 0.001 0.000 0.240 92 R C 1.789 177.914 176.300 -0.293 0.000 1.139 92 R CA 2.361 58.249 56.100 -0.353 0.000 0.952 92 R CB -0.873 29.351 30.300 -0.127 0.000 0.854 92 R HN 0.109 nan 8.270 nan 0.000 0.436 93 D N 0.166 120.474 120.400 -0.153 0.000 2.144 93 D HA -0.213 4.427 4.640 0.001 0.000 0.199 93 D C 1.843 178.059 176.300 -0.140 0.000 0.984 93 D CA 1.038 54.965 54.000 -0.121 0.000 0.834 93 D CB -0.262 40.499 40.800 -0.065 0.000 0.955 93 D HN 0.456 nan 8.370 nan 0.000 0.465 94 Q N 0.665 120.375 119.800 -0.151 0.000 2.050 94 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 94 Q C 2.152 178.033 176.000 -0.199 0.000 0.980 94 Q CA 1.099 56.823 55.803 -0.131 0.000 0.840 94 Q CB 0.133 28.832 28.738 -0.065 0.000 0.898 94 Q HN 0.087 nan 8.270 nan 0.000 0.424 95 V N 0.199 119.895 119.914 -0.364 0.000 2.407 95 V HA -0.224 3.897 4.120 0.001 0.000 0.248 95 V C 2.334 178.289 176.094 -0.233 0.000 1.055 95 V CA 1.350 63.437 62.300 -0.355 0.000 1.049 95 V CB -0.289 31.178 31.823 -0.594 0.000 0.662 95 V HN 0.245 nan 8.190 nan 0.000 0.455 96 V N -0.063 119.721 119.914 -0.216 0.000 2.307 96 V HA -0.283 3.838 4.120 0.001 0.000 0.245 96 V C 2.415 178.439 176.094 -0.117 0.000 1.045 96 V CA 2.373 64.583 62.300 -0.150 0.000 1.024 96 V CB -0.628 31.116 31.823 -0.132 0.000 0.651 96 V HN 0.563 nan 8.190 nan 0.000 0.449 97 K N 0.256 120.590 120.400 -0.109 0.000 2.032 97 K HA -0.237 4.083 4.320 0.001 0.000 0.209 97 K C 2.261 178.812 176.600 -0.082 0.000 1.048 97 K CA 1.744 57.980 56.287 -0.084 0.000 0.927 97 K CB -0.158 32.300 32.500 -0.070 0.000 0.712 97 K HN 0.376 nan 8.250 nan 0.000 0.441 98 K N 0.502 120.849 120.400 -0.087 0.000 2.009 98 K HA -0.158 4.162 4.320 0.001 0.000 0.210 98 K C 2.208 178.758 176.600 -0.082 0.000 1.049 98 K CA 1.830 58.072 56.287 -0.075 0.000 0.929 98 K CB -0.225 32.232 32.500 -0.071 0.000 0.714 98 K HN 0.193 nan 8.250 nan 0.000 0.440 99 L N 0.715 121.882 121.223 -0.094 0.000 2.056 99 L HA -0.167 4.174 4.340 0.001 0.000 0.207 99 L C 2.819 179.620 176.870 -0.115 0.000 1.078 99 L CA 1.661 56.443 54.840 -0.097 0.000 0.749 99 L CB -1.185 40.820 42.059 -0.090 0.000 0.901 99 L HN 0.411 nan 8.230 nan 0.000 0.433 100 T N -2.704 111.786 114.554 -0.106 0.000 2.746 100 T HA -0.111 4.239 4.350 0.001 0.000 0.267 100 T C 1.974 176.605 174.700 -0.115 0.000 1.039 100 T CA 1.078 63.111 62.100 -0.111 0.000 1.142 100 T CB -1.042 67.775 68.868 -0.085 0.000 0.866 100 T HN 0.378 nan 8.240 nan 0.000 0.444 101 G N 1.288 110.031 108.800 -0.094 0.000 2.422 101 G HA2 0.077 4.038 3.960 0.001 0.000 0.218 101 G HA3 0.077 4.038 3.960 0.001 0.000 0.218 101 G C 1.727 176.568 174.900 -0.098 0.000 1.146 101 G CA 0.703 45.752 45.100 -0.084 0.000 0.769 101 G HN 0.673 nan 8.290 nan 0.000 0.547 102 G N 0.638 109.374 108.800 -0.107 0.000 2.476 102 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 102 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 102 G C 1.778 176.582 174.900 -0.160 0.000 1.164 102 G CA 1.289 46.321 45.100 -0.115 0.000 0.768 102 G HN 0.322 nan 8.290 nan 0.000 0.560 103 V N 1.597 121.371 119.914 -0.234 0.000 2.469 103 V HA -0.119 4.002 4.120 0.001 0.000 0.251 103 V C 3.076 179.034 176.094 -0.226 0.000 1.064 103 V CA 1.986 64.073 62.300 -0.355 0.000 1.066 103 V CB -0.978 30.536 31.823 -0.514 0.000 0.667 103 V HN 0.469 nan 8.190 nan 0.000 0.461 104 G N -0.668 108.038 108.800 -0.157 0.000 2.402 104 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 104 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 104 G C 1.684 176.530 174.900 -0.089 0.000 1.162 104 G CA 1.370 46.406 45.100 -0.107 0.000 0.777 104 G HN 0.459 nan 8.290 nan 0.000 0.539 105 T N 1.277 115.779 114.554 -0.087 0.000 2.833 105 T HA -0.059 4.291 4.350 0.001 0.000 0.269 105 T C 2.321 176.980 174.700 -0.068 0.000 1.054 105 T CA 0.812 62.872 62.100 -0.068 0.000 1.135 105 T CB -0.105 68.726 68.868 -0.062 0.000 0.869 105 T HN 0.038 nan 8.240 nan 0.000 0.466 106 L N 0.527 121.695 121.223 -0.091 0.000 2.044 106 L HA 0.149 4.490 4.340 0.001 0.000 0.205 106 L C 2.334 179.164 176.870 -0.067 0.000 1.075 106 L CA 1.309 56.099 54.840 -0.083 0.000 0.747 106 L CB -1.042 40.949 42.059 -0.113 0.000 0.903 106 L HN 0.233 nan 8.230 nan 0.000 0.435 107 L N -0.554 120.622 121.223 -0.078 0.000 2.079 107 L HA -0.264 4.077 4.340 0.001 0.000 0.210 107 L C 2.590 179.434 176.870 -0.043 0.000 1.081 107 L CA 1.423 56.231 54.840 -0.054 0.000 0.752 107 L CB -0.421 41.602 42.059 -0.060 0.000 0.896 107 L HN 0.319 nan 8.230 nan 0.000 0.433 108 K N -0.112 120.261 120.400 -0.045 0.000 2.137 108 K HA -0.057 4.264 4.320 0.001 0.000 0.202 108 K C 1.963 178.548 176.600 -0.026 0.000 1.052 108 K CA 0.950 57.218 56.287 -0.032 0.000 0.961 108 K CB -0.078 32.403 32.500 -0.033 0.000 0.741 108 K HN 0.283 nan 8.250 nan 0.000 0.452 109 G N 0.463 109.244 108.800 -0.031 0.000 2.534 109 G HA2 -0.139 3.821 3.960 0.001 0.000 0.217 109 G HA3 -0.139 3.821 3.960 0.001 0.000 0.217 109 G C 0.889 175.776 174.900 -0.022 0.000 1.128 109 G CA 0.265 45.350 45.100 -0.026 0.000 0.784 109 G HN 0.268 nan 8.290 nan 0.000 0.542 110 N N 0.696 119.382 118.700 -0.023 0.000 2.380 110 N HA 0.130 4.870 4.740 0.001 0.000 0.255 110 N C 1.381 176.885 175.510 -0.011 0.000 1.158 110 N CA 0.525 53.564 53.050 -0.018 0.000 0.878 110 N CB 0.543 39.016 38.487 -0.023 0.000 1.138 110 N HN 0.259 nan 8.380 nan 0.000 0.509 111 G N 0.723 109.519 108.800 -0.007 0.000 2.361 111 G HA2 -0.272 3.689 3.960 0.001 0.000 0.294 111 G HA3 -0.272 3.689 3.960 0.001 0.000 0.294 111 G C 0.178 175.080 174.900 0.003 0.000 1.004 111 G CA 0.401 45.503 45.100 0.003 0.000 0.870 111 G HN 0.203 nan 8.290 nan 0.000 0.510 112 V N -0.531 119.375 119.914 -0.013 0.000 2.644 112 V HA 0.504 4.624 4.120 0.001 0.000 0.295 112 V C 0.550 176.621 176.094 -0.037 0.000 1.053 112 V CA -0.642 61.641 62.300 -0.028 0.000 0.987 112 V CB 1.972 33.773 31.823 -0.036 0.000 1.006 112 V HN 0.418 nan 8.190 nan 0.000 0.472 113 E N 2.708 122.868 120.200 -0.067 0.000 2.113 113 E HA 0.451 4.801 4.350 0.001 0.000 0.273 113 E C -1.344 175.183 176.600 -0.121 0.000 0.924 113 E CA -0.750 55.606 56.400 -0.073 0.000 0.764 113 E CB 1.532 31.199 29.700 -0.054 0.000 1.104 113 E HN 0.531 nan 8.360 nan 0.000 0.406 114 L N 5.683 126.855 121.223 -0.086 0.000 2.289 114 L HA 0.433 4.774 4.340 0.001 0.000 0.285 114 L C -1.588 175.225 176.870 -0.094 0.000 1.049 114 L CA -0.561 54.223 54.840 -0.093 0.000 0.804 114 L CB 1.280 43.300 42.059 -0.066 0.000 1.195 114 L HN 0.532 nan 8.230 nan 0.000 0.428 115 L N 5.590 126.739 121.223 -0.124 0.000 2.372 115 L HA 0.559 4.900 4.340 0.001 0.000 0.273 115 L C -0.803 176.014 176.870 -0.087 0.000 0.989 115 L CA -0.461 54.309 54.840 -0.117 0.000 0.841 115 L CB 0.865 42.794 42.059 -0.217 0.000 1.225 115 L HN 0.525 nan 8.230 nan 0.000 0.414 116 R N 3.900 124.374 120.500 -0.044 0.000 2.347 116 R HA 0.798 5.139 4.340 0.001 0.000 0.304 116 R C 0.254 176.554 176.300 -0.001 0.000 1.072 116 R CA -0.005 56.082 56.100 -0.021 0.000 0.980 116 R CB 0.356 30.652 30.300 -0.008 0.000 0.986 116 R HN 0.891 nan 8.270 nan 0.000 0.448 117 G N 1.703 110.514 108.800 0.017 0.000 2.350 117 G HA2 0.075 4.035 3.960 0.001 0.000 0.304 117 G HA3 0.075 4.035 3.960 0.001 0.000 0.304 117 G C -1.549 173.414 174.900 0.104 0.000 1.421 117 G CA -1.001 44.139 45.100 0.067 0.000 0.934 117 G HN 0.300 nan 8.290 nan 0.000 0.632 118 F N 0.860 120.805 119.950 -0.008 0.000 2.390 118 F HA 0.719 5.246 4.527 0.001 0.000 0.307 118 F C 0.710 176.507 175.800 -0.005 0.000 1.227 118 F CA 0.512 58.509 58.000 -0.006 0.000 1.179 118 F CB 1.419 40.420 39.000 0.002 0.000 1.280 118 F HN 1.065 nan 8.300 nan 0.000 0.548 119 A N 3.086 125.540 122.820 -0.610 0.000 2.402 119 A HA 0.636 4.956 4.320 0.001 0.000 0.291 119 A C -1.311 176.086 177.584 -0.312 0.000 1.051 119 A CA -0.911 50.928 52.037 -0.331 0.000 0.716 119 A CB 0.998 19.811 19.000 -0.311 0.000 1.223 119 A HN 0.785 nan 8.150 nan 0.000 0.425 120 R N 1.906 122.398 120.500 -0.013 0.000 2.445 120 R HA 0.681 5.022 4.340 0.001 0.000 0.308 120 R C -1.166 175.155 176.300 0.035 0.000 0.961 120 R CA -0.787 55.350 56.100 0.063 0.000 0.862 120 R CB 1.316 31.715 30.300 0.164 0.000 1.144 120 R HN 0.415 nan 8.270 nan 0.000 0.447 121 L N 4.985 126.220 121.223 0.021 0.000 2.462 121 L HA 0.066 4.407 4.340 0.001 0.000 0.283 121 L C 0.602 177.493 176.870 0.035 0.000 1.166 121 L CA 0.189 55.041 54.840 0.020 0.000 0.964 121 L CB 0.886 42.950 42.059 0.008 0.000 1.294 121 L HN 0.785 nan 8.230 nan 0.000 0.449 122 V N 3.920 123.860 119.914 0.043 0.000 2.221 122 V HA 0.120 4.240 4.120 0.001 0.000 0.240 122 V C 1.301 177.413 176.094 0.031 0.000 1.041 122 V CA 1.403 63.728 62.300 0.042 0.000 0.991 122 V CB -1.006 30.846 31.823 0.047 0.000 0.634 122 V HN 0.803 nan 8.190 nan 0.000 0.450 123 G N -1.944 106.874 108.800 0.032 0.000 2.537 123 G HA2 0.503 4.463 3.960 0.001 0.000 0.308 123 G HA3 0.503 4.463 3.960 0.001 0.000 0.308 123 G C -2.319 172.594 174.900 0.022 0.000 1.237 123 G CA -0.889 44.225 45.100 0.024 0.000 0.968 123 G HN 0.169 nan 8.290 nan 0.000 0.481 124 P HA -0.111 nan 4.420 nan 0.000 0.217 124 P C 1.140 178.450 177.300 0.016 0.000 1.148 124 P CA 1.273 64.377 63.100 0.007 0.000 0.834 124 P CB 0.310 32.010 31.700 -0.001 0.000 0.783 125 K N -1.026 119.389 120.400 0.026 0.000 2.438 125 K HA 0.244 4.565 4.320 0.001 0.000 0.205 125 K C 0.264 176.899 176.600 0.058 0.000 1.033 125 K CA 0.095 56.406 56.287 0.040 0.000 1.089 125 K CB 1.214 33.734 32.500 0.035 0.000 0.857 125 K HN 0.285 nan 8.250 nan 0.000 0.522 126 E N 0.363 120.597 120.200 0.057 0.000 2.366 126 E HA 0.433 4.783 4.350 0.001 0.000 0.278 126 E C -1.573 175.074 176.600 0.079 0.000 0.923 126 E CA -0.719 55.727 56.400 0.077 0.000 0.761 126 E CB 2.192 31.928 29.700 0.061 0.000 1.231 126 E HN -0.210 nan 8.360 nan 0.000 0.443 127 V N 2.081 122.065 119.914 0.116 0.000 3.049 127 V HA 0.381 4.501 4.120 0.001 0.000 0.309 127 V C -1.000 175.199 176.094 0.175 0.000 1.148 127 V CA -0.858 61.508 62.300 0.109 0.000 0.990 127 V CB 2.023 33.888 31.823 0.069 0.000 1.039 127 V HN 0.738 nan 8.190 nan 0.000 0.430 128 E N 1.913 122.201 120.200 0.146 0.000 2.158 128 E HA 0.724 5.074 4.350 0.001 0.000 0.271 128 E C -1.616 175.097 176.600 0.189 0.000 0.911 128 E CA -0.287 56.222 56.400 0.182 0.000 0.767 128 E CB 2.023 31.796 29.700 0.122 0.000 1.120 128 E HN 0.465 nan 8.360 nan 0.000 0.405 135 G N 0.432 109.295 108.800 0.105 0.000 4.391 135 G HA2 -0.237 3.724 3.960 0.001 0.000 0.210 135 G HA3 -0.237 3.724 3.960 0.001 0.000 0.210 135 G C 0.282 175.221 174.900 0.065 0.000 1.547 135 G CA 0.115 45.259 45.100 0.073 0.000 1.103 135 G HN 0.600 nan 8.290 nan 0.000 0.637 136 E N 1.889 122.130 120.200 0.069 0.000 2.492 136 E HA 0.271 4.621 4.350 0.001 0.000 0.266 136 E C 0.647 177.204 176.600 -0.072 0.000 1.047 136 E CA 0.404 56.782 56.400 -0.037 0.000 0.968 136 E CB 0.309 29.975 29.700 -0.056 0.000 0.960 136 E HN 0.454 nan 8.360 nan 0.000 0.452 137 R N 1.307 121.643 120.500 -0.273 0.000 2.604 137 R HA 0.468 4.809 4.340 0.001 0.000 0.287 137 R C -0.694 175.342 176.300 -0.440 0.000 0.970 137 R CA -0.717 55.278 56.100 -0.176 0.000 0.946 137 R CB 0.873 31.118 30.300 -0.091 0.000 1.127 137 R HN 0.442 nan 8.270 nan 0.000 0.473 138 Y N -1.227 119.117 120.300 0.073 0.000 2.470 138 Y HA 0.559 5.109 4.550 0.001 0.000 0.341 138 Y C 0.548 176.508 175.900 0.100 0.000 1.021 138 Y CA -0.873 57.297 58.100 0.116 0.000 1.025 138 Y CB 2.732 41.286 38.460 0.158 0.000 1.266 138 Y HN 0.732 nan 8.280 nan 0.000 0.448 139 G N 0.665 109.610 108.800 0.242 0.000 2.563 139 G HA2 0.857 4.817 3.960 0.001 0.000 0.302 139 G HA3 0.857 4.817 3.960 0.001 0.000 0.302 139 G C -1.667 173.341 174.900 0.180 0.000 1.301 139 G CA -0.774 44.423 45.100 0.162 0.000 0.965 139 G HN 0.859 nan 8.290 nan 0.000 0.480 140 A N 1.097 124.001 122.820 0.140 0.000 2.609 140 A HA 0.714 5.035 4.320 0.001 0.000 0.291 140 A C 0.787 178.429 177.584 0.097 0.000 1.096 140 A CA -0.404 51.716 52.037 0.138 0.000 0.684 140 A CB 1.560 20.659 19.000 0.165 0.000 1.282 140 A HN 0.716 nan 8.150 nan 0.000 0.412 141 K N 0.027 120.482 120.400 0.092 0.000 2.097 141 K HA 0.048 4.368 4.320 0.001 0.000 0.205 141 K C 0.094 176.746 176.600 0.086 0.000 1.050 141 K CA 1.719 58.051 56.287 0.076 0.000 0.938 141 K CB -0.061 32.484 32.500 0.074 0.000 0.718 141 K HN 0.603 nan 8.250 nan 0.000 0.442 142 S N -0.120 115.651 115.700 0.118 0.000 2.548 142 S HA 0.515 4.986 4.470 0.001 0.000 0.286 142 S C -1.105 173.587 174.600 0.153 0.000 1.098 142 S CA -0.867 57.431 58.200 0.163 0.000 0.930 142 S CB 1.943 65.321 63.200 0.297 0.000 1.070 142 S HN 0.132 nan 8.310 nan 0.000 0.480 143 L N 2.841 124.157 121.223 0.155 0.000 2.381 143 L HA 0.603 4.944 4.340 0.001 0.000 0.274 143 L C -1.188 175.790 176.870 0.181 0.000 0.988 143 L CA -0.488 54.425 54.840 0.120 0.000 0.824 143 L CB 1.423 43.518 42.059 0.059 0.000 1.263 143 L HN 0.524 nan 8.230 nan 0.000 0.410 144 I N 4.660 125.313 120.570 0.137 0.000 2.362 144 I HA 0.327 4.498 4.170 0.001 0.000 0.289 144 I C -0.410 175.739 176.117 0.054 0.000 0.994 144 I CA -0.473 60.906 61.300 0.132 0.000 1.158 144 I CB 1.605 39.643 38.000 0.064 0.000 1.315 144 I HN 0.383 nan 8.210 nan 0.000 0.451 145 L N 6.798 128.053 121.223 0.054 0.000 2.270 145 L HA 0.571 4.911 4.340 0.001 0.000 0.286 145 L C 0.358 177.231 176.870 0.005 0.000 1.059 145 L CA -0.345 54.502 54.840 0.011 0.000 0.839 145 L CB 0.831 42.895 42.059 0.010 0.000 1.221 145 L HN 0.679 nan 8.230 nan 0.000 0.431 146 A N 1.609 124.420 122.820 -0.016 0.000 2.938 146 A HA 0.435 4.756 4.320 0.001 0.000 0.344 146 A C 0.755 178.322 177.584 -0.028 0.000 1.142 146 A CA -0.405 51.621 52.037 -0.018 0.000 0.841 146 A CB 0.033 19.020 19.000 -0.023 0.000 1.083 146 A HN 0.702 nan 8.150 nan 0.000 0.479 147 T N -1.516 113.021 114.554 -0.028 0.000 3.223 147 T HA 0.471 4.821 4.350 0.001 0.000 0.259 147 T C 1.178 175.869 174.700 -0.015 0.000 1.015 147 T CA 0.620 62.700 62.100 -0.034 0.000 0.908 147 T CB -0.414 68.425 68.868 -0.049 0.000 1.054 147 T HN 1.888 nan 8.240 nan 0.000 0.567 148 G N 2.286 111.082 108.800 -0.007 0.000 2.564 148 G HA2 -0.155 3.806 3.960 0.001 0.000 0.309 148 G HA3 -0.155 3.806 3.960 0.001 0.000 0.309 148 G C 0.153 175.055 174.900 0.004 0.000 1.320 148 G CA 0.449 45.551 45.100 0.003 0.000 0.941 148 G HN 1.570 nan 8.290 nan 0.000 0.543 149 S N -1.166 114.538 115.700 0.008 0.000 2.900 149 S HA 0.847 5.318 4.470 0.001 0.000 0.320 149 S C -0.546 174.055 174.600 0.001 0.000 1.130 149 S CA 0.414 58.613 58.200 -0.002 0.000 0.863 149 S CB 2.349 65.564 63.200 0.024 0.000 1.295 149 S HN 1.784 nan 8.310 nan 0.000 0.596 150 E N -0.964 119.237 120.200 0.002 0.000 2.423 150 E HA 0.545 4.896 4.350 0.001 0.000 0.280 150 E C -3.427 173.187 176.600 0.024 0.000 1.030 150 E CA -2.388 54.015 56.400 0.005 0.000 0.812 150 E CB 0.861 30.563 29.700 0.004 0.000 1.313 150 E HN 0.287 nan 8.360 nan 0.000 0.456 151 P HA -0.037 nan 4.420 nan 0.000 0.264 151 P C -0.889 176.507 177.300 0.160 0.000 1.179 151 P CA -0.148 62.995 63.100 0.072 0.000 0.763 151 P CB 0.273 31.954 31.700 -0.032 0.000 0.806 152 L N 2.962 124.297 121.223 0.186 0.000 2.264 152 L HA 0.303 4.643 4.340 0.001 0.000 0.289 152 L C 0.297 177.284 176.870 0.194 0.000 1.044 152 L CA -0.378 54.555 54.840 0.155 0.000 0.807 152 L CB 0.523 42.635 42.059 0.089 0.000 1.192 152 L HN 0.294 nan 8.230 nan 0.000 0.425 153 E N 3.375 123.659 120.200 0.140 0.000 2.354 153 E HA 0.301 4.651 4.350 0.001 0.000 0.269 153 E C -1.313 175.231 176.600 -0.093 0.000 1.036 153 E CA -0.605 55.756 56.400 -0.066 0.000 0.876 153 E CB 1.094 30.771 29.700 -0.037 0.000 1.009 153 E HN 0.585 nan 8.360 nan 0.000 0.416 154 L N 4.294 125.416 121.223 -0.169 0.000 2.307 154 L HA 0.325 4.665 4.340 0.001 0.000 0.284 154 L C -0.489 176.382 176.870 0.001 0.000 1.023 154 L CA -0.341 54.471 54.840 -0.047 0.000 0.810 154 L CB 1.244 43.292 42.059 -0.017 0.000 1.231 154 L HN 0.450 nan 8.230 nan 0.000 0.423 155 K N 3.964 124.374 120.400 0.017 0.000 2.451 155 K HA 0.371 4.692 4.320 0.001 0.000 0.280 155 K C 0.977 177.598 176.600 0.035 0.000 1.020 155 K CA 1.145 57.438 56.287 0.011 0.000 1.008 155 K CB 0.134 32.636 32.500 0.004 0.000 0.917 155 K HN 0.956 nan 8.250 nan 0.000 0.478 156 G N 3.553 112.328 108.800 -0.042 0.000 2.195 156 G HA2 -0.244 3.716 3.960 0.001 0.000 0.246 156 G HA3 -0.244 3.716 3.960 0.001 0.000 0.246 156 G C -0.062 174.598 174.900 -0.399 0.000 0.984 156 G CA 0.045 45.034 45.100 -0.185 0.000 0.633 156 G HN 0.570 nan 8.290 nan 0.000 0.525 157 F N 2.351 122.292 119.950 -0.016 0.000 2.708 157 F HA 0.371 4.899 4.527 0.001 0.000 0.344 157 F C -2.018 173.652 175.800 -0.216 0.000 1.447 157 F CA -1.769 56.187 58.000 -0.073 0.000 1.140 157 F CB 1.778 40.684 39.000 -0.156 0.000 1.657 157 F HN -0.064 nan 8.300 nan 0.000 0.598 158 P HA 0.075 nan 4.420 nan 0.000 0.271 158 P C -0.324 176.933 177.300 -0.071 0.000 1.218 158 P CA -0.117 62.921 63.100 -0.104 0.000 0.780 158 P CB 0.861 32.559 31.700 -0.003 0.000 0.901 159 F N 1.394 121.406 119.950 0.103 0.000 2.543 159 F HA 0.457 4.984 4.527 0.001 0.000 0.375 159 F C 1.583 177.450 175.800 0.111 0.000 1.075 159 F CA 1.274 59.338 58.000 0.107 0.000 1.225 159 F CB -0.073 38.987 39.000 0.099 0.000 1.099 159 F HN 0.465 nan 8.300 nan 0.000 0.561 160 G N 2.293 111.291 108.800 0.330 0.000 2.663 160 G HA2 0.213 4.174 3.960 0.001 0.000 0.299 160 G HA3 0.213 4.174 3.960 0.001 0.000 0.299 160 G C 0.125 175.180 174.900 0.258 0.000 1.372 160 G CA -0.600 44.643 45.100 0.239 0.000 0.781 160 G HN 0.285 nan 8.290 nan 0.000 0.491 161 E N -0.134 120.193 120.200 0.212 0.000 2.284 161 E HA -0.122 4.229 4.350 0.001 0.000 0.200 161 E C 0.857 177.579 176.600 0.203 0.000 1.008 161 E CA 1.376 57.924 56.400 0.246 0.000 0.829 161 E CB 0.201 30.005 29.700 0.172 0.000 0.744 161 E HN 0.469 nan 8.360 nan 0.000 0.491 162 D N -0.764 119.663 120.400 0.045 0.000 2.441 162 D HA 0.056 4.697 4.640 0.001 0.000 0.210 162 D C -0.149 175.923 176.300 -0.380 0.000 1.102 162 D CA 0.112 53.997 54.000 -0.191 0.000 0.840 162 D CB 1.335 42.089 40.800 -0.077 0.000 0.990 162 D HN -0.107 nan 8.370 nan 0.000 0.505 163 V N 2.712 122.542 119.914 -0.139 0.000 2.325 163 V HA 0.213 4.333 4.120 0.001 0.000 0.280 163 V C -0.576 175.705 176.094 0.312 0.000 1.016 163 V CA -0.857 61.413 62.300 -0.049 0.000 0.818 163 V CB 1.203 33.042 31.823 0.027 0.000 1.019 163 V HN 0.006 nan 8.190 nan 0.000 0.434 164 W N 2.658 124.057 121.300 0.165 0.000 2.436 164 W HA 0.574 5.235 4.660 0.001 0.000 0.347 164 W C 0.279 176.897 176.519 0.166 0.000 1.136 164 W CA -1.065 56.357 57.345 0.128 0.000 1.286 164 W CB 0.971 30.435 29.460 0.006 0.000 1.253 164 W HN 0.655 nan 8.180 nan 0.000 0.617 165 D N -1.202 119.239 120.400 0.068 0.000 2.567 165 D HA 0.183 4.824 4.640 0.001 0.000 0.275 165 D C 1.214 177.517 176.300 0.005 0.000 1.195 165 D CA -0.322 53.604 54.000 -0.123 0.000 1.087 165 D CB -0.238 40.096 40.800 -0.776 0.000 1.165 165 D HN 0.172 nan 8.370 nan 0.000 0.609 166 S N -1.233 114.456 115.700 -0.017 0.000 2.383 166 S HA -0.161 4.309 4.470 0.001 0.000 0.227 166 S C 1.823 176.405 174.600 -0.029 0.000 1.026 166 S CA 1.531 59.738 58.200 0.013 0.000 0.981 166 S CB -1.230 61.980 63.200 0.017 0.000 0.818 166 S HN 0.558 nan 8.310 nan 0.000 0.472 167 T N 2.092 116.595 114.554 -0.085 0.000 2.720 167 T HA -0.059 4.292 4.350 0.001 0.000 0.268 167 T C 1.948 176.563 174.700 -0.141 0.000 1.037 167 T CA 1.777 63.815 62.100 -0.103 0.000 1.144 167 T CB -0.336 68.460 68.868 -0.120 0.000 0.864 167 T HN 0.454 nan 8.240 nan 0.000 0.444 168 R N 1.812 122.197 120.500 -0.192 0.000 2.090 168 R HA 0.220 4.561 4.340 0.001 0.000 0.228 168 R C 2.298 178.337 176.300 -0.436 0.000 1.110 168 R CA 1.504 57.392 56.100 -0.354 0.000 0.973 168 R CB -0.978 29.046 30.300 -0.461 0.000 0.869 168 R HN 0.295 nan 8.270 nan 0.000 0.440 169 A N 0.564 123.270 122.820 -0.191 0.000 2.070 169 A HA -0.063 4.258 4.320 0.001 0.000 0.220 169 A C 2.109 179.749 177.584 0.094 0.000 1.159 169 A CA 1.234 53.277 52.037 0.010 0.000 0.656 169 A CB -0.572 18.549 19.000 0.202 0.000 0.800 169 A HN 0.381 nan 8.150 nan 0.000 0.453 170 L N -0.796 120.417 121.223 -0.017 0.000 2.141 170 L HA -0.091 4.250 4.340 0.001 0.000 0.209 170 L C 0.786 177.624 176.870 -0.054 0.000 1.094 170 L CA 0.874 55.705 54.840 -0.015 0.000 0.763 170 L CB -0.269 41.763 42.059 -0.043 0.000 0.908 170 L HN 0.255 nan 8.230 nan 0.000 0.437 171 K N 1.161 121.490 120.400 -0.117 0.000 2.243 171 K HA 0.031 4.351 4.320 0.001 0.000 0.232 171 K C 1.345 177.886 176.600 -0.098 0.000 1.237 171 K CA -0.214 56.001 56.287 -0.120 0.000 1.161 171 K CB 0.243 32.644 32.500 -0.166 0.000 1.505 171 K HN 0.153 nan 8.250 nan 0.000 0.271 172 V N -0.880 118.998 119.914 -0.061 0.000 2.867 172 V HA -0.171 3.950 4.120 0.001 0.000 0.260 172 V C 1.169 177.251 176.094 -0.019 0.000 1.099 172 V CA 0.999 63.267 62.300 -0.054 0.000 1.122 172 V CB -0.616 31.117 31.823 -0.149 0.000 0.708 172 V HN 0.561 nan 8.190 nan 0.000 0.490 173 E N 2.632 122.819 120.200 -0.022 0.000 2.467 173 E HA 0.219 4.569 4.350 0.001 0.000 0.321 173 E C 0.531 177.132 176.600 0.001 0.000 1.388 173 E CA 0.294 56.692 56.400 -0.004 0.000 1.508 173 E CB -0.311 29.387 29.700 -0.003 0.000 1.250 173 E HN 0.535 nan 8.360 nan 0.000 0.500 174 G N 2.073 110.923 108.800 0.083 0.000 2.351 174 G HA2 0.326 4.287 3.960 0.001 0.000 0.287 174 G HA3 0.326 4.287 3.960 0.001 0.000 0.287 174 G C -0.716 174.322 174.900 0.230 0.000 1.159 174 G CA -0.626 44.558 45.100 0.141 0.000 0.929 174 G HN 0.418 nan 8.290 nan 0.000 0.435 175 L N 5.819 127.167 121.223 0.207 0.000 2.264 175 L HA 0.461 4.802 4.340 0.001 0.000 0.289 175 L C -1.532 175.487 176.870 0.248 0.000 1.044 175 L CA -1.933 53.077 54.840 0.282 0.000 0.807 175 L CB 1.223 43.388 42.059 0.177 0.000 1.192 175 L HN 0.371 nan 8.230 nan 0.000 0.425 176 P HA 0.176 nan 4.420 nan 0.000 0.279 176 P C -0.313 177.052 177.300 0.108 0.000 1.239 176 P CA -0.398 62.786 63.100 0.140 0.000 0.789 176 P CB 1.100 32.824 31.700 0.039 0.000 0.933 177 K N 1.379 121.818 120.400 0.064 0.000 2.211 177 K HA -0.032 4.289 4.320 0.001 0.000 0.203 177 K C 0.638 177.257 176.600 0.032 0.000 1.050 177 K CA 1.024 57.342 56.287 0.052 0.000 0.945 177 K CB 0.062 32.583 32.500 0.035 0.000 0.732 177 K HN 0.449 nan 8.250 nan 0.000 0.451 178 R N 0.532 121.033 120.500 0.001 0.000 2.538 178 R HA 0.354 4.695 4.340 0.001 0.000 0.292 178 R C -1.547 174.706 176.300 -0.078 0.000 1.008 178 R CA -0.668 55.416 56.100 -0.027 0.000 0.896 178 R CB 1.764 32.041 30.300 -0.038 0.000 1.187 178 R HN -0.106 nan 8.270 nan 0.000 0.440 179 L N 3.063 124.235 121.223 -0.085 0.000 2.354 179 L HA 0.634 4.974 4.340 0.001 0.000 0.269 179 L C -1.755 175.027 176.870 -0.146 0.000 1.005 179 L CA -0.991 53.753 54.840 -0.161 0.000 0.819 179 L CB 1.998 43.944 42.059 -0.189 0.000 1.311 179 L HN 0.578 nan 8.230 nan 0.000 0.423 180 L N 4.634 125.741 121.223 -0.194 0.000 2.356 180 L HA 0.727 5.067 4.340 0.001 0.000 0.277 180 L C -1.464 175.291 176.870 -0.192 0.000 0.996 180 L CA -0.315 54.421 54.840 -0.174 0.000 0.822 180 L CB 1.938 43.881 42.059 -0.193 0.000 1.256 180 L HN 0.375 nan 8.230 nan 0.000 0.413 181 V N 6.709 126.538 119.914 -0.143 0.000 2.384 181 V HA 0.479 4.600 4.120 0.001 0.000 0.287 181 V C -0.062 175.955 176.094 -0.127 0.000 1.020 181 V CA -0.348 61.880 62.300 -0.121 0.000 0.850 181 V CB 1.543 33.328 31.823 -0.063 0.000 0.987 181 V HN 0.602 nan 8.190 nan 0.000 0.436 182 I N 4.524 125.001 120.570 -0.155 0.000 2.328 182 I HA 0.788 4.959 4.170 0.001 0.000 0.287 182 I C 0.571 176.641 176.117 -0.079 0.000 1.012 182 I CA -0.139 61.071 61.300 -0.150 0.000 1.195 182 I CB 1.445 39.285 38.000 -0.267 0.000 1.350 182 I HN 0.827 nan 8.210 nan 0.000 0.464 183 G N 3.306 112.080 108.800 -0.044 0.000 2.873 183 G HA2 0.157 4.117 3.960 0.001 0.000 0.507 183 G HA3 0.157 4.117 3.960 0.001 0.000 0.507 183 G C -0.081 174.809 174.900 -0.017 0.000 1.440 183 G CA -0.516 44.573 45.100 -0.018 0.000 1.016 183 G HN 0.850 nan 8.290 nan 0.000 0.615 184 G N 0.346 109.136 108.800 -0.017 0.000 3.609 184 G HA2 0.614 4.575 3.960 0.001 0.000 0.280 184 G HA3 0.614 4.575 3.960 0.001 0.000 0.280 184 G C 0.912 175.781 174.900 -0.052 0.000 1.155 184 G CA 0.958 46.037 45.100 -0.035 0.000 0.876 184 G HN 1.180 nan 8.290 nan 0.000 0.535 185 G N -0.679 108.103 108.800 -0.031 0.000 2.508 185 G HA2 0.449 4.409 3.960 0.001 0.000 0.278 185 G HA3 0.449 4.409 3.960 0.001 0.000 0.278 185 G C 1.345 176.233 174.900 -0.020 0.000 1.389 185 G CA 0.294 45.373 45.100 -0.035 0.000 1.050 185 G HN 0.299 nan 8.290 nan 0.000 0.522 186 A N -1.469 121.354 122.820 0.005 0.000 1.930 186 A HA 0.040 4.361 4.320 0.001 0.000 0.217 186 A C 2.495 180.123 177.584 0.074 0.000 1.175 186 A CA 1.890 53.959 52.037 0.053 0.000 0.627 186 A CB -0.599 18.465 19.000 0.106 0.000 0.815 186 A HN 0.458 nan 8.150 nan 0.000 0.443 187 V N -0.231 119.720 119.914 0.062 0.000 2.295 187 V HA -0.161 3.960 4.120 0.001 0.000 0.246 187 V C 2.768 178.902 176.094 0.066 0.000 1.049 187 V CA 2.015 64.355 62.300 0.067 0.000 1.024 187 V CB -1.340 30.518 31.823 0.059 0.000 0.648 187 V HN 0.593 nan 8.190 nan 0.000 0.447 188 G N -0.553 108.274 108.800 0.046 0.000 2.408 188 G HA2 -0.105 3.856 3.960 0.001 0.000 0.215 188 G HA3 -0.105 3.856 3.960 0.001 0.000 0.215 188 G C 1.576 176.501 174.900 0.042 0.000 1.156 188 G CA 0.525 45.648 45.100 0.038 0.000 0.793 188 G HN 0.445 nan 8.290 nan 0.000 0.535 189 L N -0.067 121.177 121.223 0.035 0.000 2.027 189 L HA -0.007 4.333 4.340 0.001 0.000 0.206 189 L C 2.821 179.731 176.870 0.068 0.000 1.074 189 L CA 1.187 56.049 54.840 0.036 0.000 0.745 189 L CB -0.410 41.658 42.059 0.015 0.000 0.898 189 L HN 0.239 nan 8.230 nan 0.000 0.433 190 E N 0.309 120.563 120.200 0.090 0.000 2.007 190 E HA -0.207 4.144 4.350 0.001 0.000 0.194 190 E C 2.347 179.021 176.600 0.124 0.000 0.999 190 E CA 1.141 57.610 56.400 0.115 0.000 0.811 190 E CB -0.168 29.613 29.700 0.136 0.000 0.762 190 E HN 0.338 nan 8.360 nan 0.000 0.450 191 L N 0.344 121.648 121.223 0.136 0.000 2.079 191 L HA -0.170 4.170 4.340 0.001 0.000 0.210 191 L C 2.514 179.538 176.870 0.256 0.000 1.081 191 L CA 1.212 56.176 54.840 0.206 0.000 0.752 191 L CB -0.661 41.516 42.059 0.196 0.000 0.896 191 L HN 0.295 nan 8.230 nan 0.000 0.433 192 G N -0.992 107.901 108.800 0.156 0.000 2.418 192 G HA2 -0.333 3.628 3.960 0.001 0.000 0.217 192 G HA3 -0.333 3.628 3.960 0.001 0.000 0.217 192 G C 1.506 176.491 174.900 0.142 0.000 1.158 192 G CA 0.762 45.941 45.100 0.131 0.000 0.771 192 G HN 0.415 nan 8.290 nan 0.000 0.545 193 Q N -0.171 119.692 119.800 0.105 0.000 2.230 193 Q HA -0.012 4.329 4.340 0.001 0.000 0.202 193 Q C 2.593 178.637 176.000 0.073 0.000 0.963 193 Q CA 0.913 56.758 55.803 0.069 0.000 0.866 193 Q CB -0.040 28.722 28.738 0.039 0.000 0.931 193 Q HN 0.323 nan 8.270 nan 0.000 0.452 194 V N 0.199 120.173 119.914 0.100 0.000 2.261 194 V HA -0.273 3.848 4.120 0.001 0.000 0.246 194 V C 1.742 177.832 176.094 -0.007 0.000 1.047 194 V CA 1.912 64.233 62.300 0.035 0.000 1.015 194 V CB -0.782 31.050 31.823 0.015 0.000 0.642 194 V HN 0.437 nan 8.190 nan 0.000 0.446 195 Y N 0.232 120.568 120.300 0.061 0.000 2.224 195 Y HA -0.240 4.310 4.550 0.001 0.000 0.289 195 Y C 2.726 178.657 175.900 0.051 0.000 1.146 195 Y CA 2.076 60.216 58.100 0.067 0.000 1.182 195 Y CB -0.295 38.216 38.460 0.085 0.000 0.983 195 Y HN 0.128 nan 8.280 nan 0.000 0.524 196 R N 1.047 121.652 120.500 0.175 0.000 2.081 196 R HA -0.090 4.251 4.340 0.001 0.000 0.235 196 R C 1.946 178.291 176.300 0.075 0.000 1.131 196 R CA 1.562 57.726 56.100 0.106 0.000 0.960 196 R CB -0.372 29.972 30.300 0.072 0.000 0.856 196 R HN 0.207 nan 8.270 nan 0.000 0.436 197 R N -0.263 120.269 120.500 0.053 0.000 2.189 197 R HA 0.067 4.408 4.340 0.001 0.000 0.218 197 R C 1.823 178.150 176.300 0.045 0.000 1.074 197 R CA 0.961 57.095 56.100 0.056 0.000 0.991 197 R CB -0.123 30.196 30.300 0.032 0.000 0.883 197 R HN 0.254 nan 8.270 nan 0.000 0.457 198 L N -0.995 120.237 121.223 0.015 0.000 2.554 198 L HA 0.126 4.466 4.340 0.001 0.000 0.226 198 L C 1.294 178.181 176.870 0.028 0.000 1.137 198 L CA 0.701 55.536 54.840 -0.008 0.000 0.863 198 L CB 0.309 42.315 42.059 -0.088 0.000 0.985 198 L HN 0.496 nan 8.230 nan 0.000 0.451 199 G N -0.711 108.123 108.800 0.056 0.000 2.380 199 G HA2 -0.176 3.785 3.960 0.001 0.000 0.197 199 G HA3 -0.176 3.785 3.960 0.001 0.000 0.197 199 G C 0.425 175.374 174.900 0.081 0.000 1.001 199 G CA -0.172 44.965 45.100 0.062 0.000 0.668 199 G HN 0.371 nan 8.290 nan 0.000 0.483 200 A N 0.493 123.387 122.820 0.123 0.000 2.445 200 A HA 0.577 4.898 4.320 0.001 0.000 0.242 200 A C 0.382 178.023 177.584 0.093 0.000 1.075 200 A CA 0.714 52.833 52.037 0.136 0.000 0.777 200 A CB 0.359 19.506 19.000 0.243 0.000 1.013 200 A HN 0.519 nan 8.150 nan 0.000 0.493 201 E N 0.796 121.031 120.200 0.060 0.000 2.283 201 E HA 0.503 4.853 4.350 0.001 0.000 0.278 201 E C -1.236 175.379 176.600 0.025 0.000 1.027 201 E CA -0.332 56.089 56.400 0.034 0.000 0.843 201 E CB 0.853 30.562 29.700 0.016 0.000 1.062 201 E HN 0.394 nan 8.360 nan 0.000 0.401 202 V N 3.237 123.163 119.914 0.021 0.000 2.789 202 V HA 0.428 4.548 4.120 0.001 0.000 0.311 202 V C -0.523 175.565 176.094 -0.011 0.000 1.073 202 V CA -0.747 61.557 62.300 0.006 0.000 0.921 202 V CB 2.341 34.185 31.823 0.035 0.000 1.009 202 V HN 0.738 nan 8.190 nan 0.000 0.426 203 T N 5.254 119.789 114.554 -0.032 0.000 2.928 203 T HA 0.628 4.979 4.350 0.001 0.000 0.296 203 T C -0.989 173.680 174.700 -0.051 0.000 1.000 203 T CA -0.285 61.792 62.100 -0.038 0.000 0.989 203 T CB 1.498 70.339 68.868 -0.045 0.000 1.005 203 T HN 0.570 nan 8.240 nan 0.000 0.442 204 L N 5.234 126.432 121.223 -0.041 0.000 2.365 204 L HA 0.793 5.134 4.340 0.001 0.000 0.273 204 L C -1.175 175.667 176.870 -0.046 0.000 1.000 204 L CA -1.157 53.655 54.840 -0.047 0.000 0.819 204 L CB 1.153 43.193 42.059 -0.031 0.000 1.284 204 L HN 0.750 nan 8.230 nan 0.000 0.418 205 I N 0.862 121.399 120.570 -0.055 0.000 2.465 205 I HA 0.676 4.847 4.170 0.001 0.000 0.291 205 I C -1.130 174.972 176.117 -0.026 0.000 1.014 205 I CA -0.574 60.700 61.300 -0.042 0.000 1.093 205 I CB 1.987 39.959 38.000 -0.047 0.000 1.267 205 I HN 0.545 nan 8.210 nan 0.000 0.431 206 E N 4.132 124.324 120.200 -0.014 0.000 2.187 206 E HA 0.235 4.586 4.350 0.001 0.000 0.268 206 E C -0.436 176.189 176.600 0.040 0.000 0.896 206 E CA -0.660 55.749 56.400 0.015 0.000 0.766 206 E CB 1.366 31.063 29.700 -0.005 0.000 1.142 206 E HN 0.610 nan 8.360 nan 0.000 0.408 207 Y N 4.802 125.084 120.300 -0.030 0.000 2.242 207 Y HA -0.004 4.546 4.550 0.001 0.000 0.291 207 Y C 0.559 176.448 175.900 -0.018 0.000 1.137 207 Y CA 1.201 59.290 58.100 -0.019 0.000 1.181 207 Y CB 0.282 38.734 38.460 -0.013 0.000 0.989 207 Y HN 0.459 nan 8.280 nan 0.000 0.527 208 M N 0.539 120.241 119.600 0.170 0.000 2.157 208 M HA 0.087 4.568 4.480 0.001 0.000 0.304 208 M C -1.234 175.058 176.300 -0.012 0.000 1.171 208 M CA -2.406 52.946 55.300 0.087 0.000 1.157 208 M CB -0.654 31.996 32.600 0.083 0.000 1.403 208 M HN -0.091 nan 8.290 nan 0.000 0.473 209 P HA -0.101 nan 4.420 nan 0.000 0.219 209 P C -0.163 177.117 177.300 -0.033 0.000 1.146 209 P CA 1.430 64.509 63.100 -0.035 0.000 0.808 209 P CB 0.345 32.031 31.700 -0.023 0.000 0.779 210 E N -1.458 118.724 120.200 -0.030 0.000 2.433 210 E HA 0.358 4.708 4.350 0.001 0.000 0.278 210 E C -0.598 175.971 176.600 -0.053 0.000 0.976 210 E CA -1.126 55.250 56.400 -0.040 0.000 0.793 210 E CB 0.826 30.501 29.700 -0.041 0.000 1.311 210 E HN -0.101 nan 8.360 nan 0.000 0.460 211 I N -0.121 120.405 120.570 -0.072 0.000 3.004 211 I HA 0.292 4.463 4.170 0.001 0.000 0.287 211 I C 0.295 176.315 176.117 -0.161 0.000 1.144 211 I CA -0.790 60.450 61.300 -0.100 0.000 1.353 211 I CB 0.187 38.123 38.000 -0.106 0.000 1.417 211 I HN 0.632 nan 8.210 nan 0.000 0.602 212 L N 2.174 123.282 121.223 -0.192 0.000 3.823 212 L HA -0.156 4.185 4.340 0.001 0.000 0.525 212 L C -1.302 175.455 176.870 -0.189 0.000 1.247 212 L CA -0.433 54.242 54.840 -0.275 0.000 0.776 212 L CB -1.431 40.277 42.059 -0.584 0.000 1.443 212 L HN 0.708 nan 8.230 nan 0.000 0.831 213 P HA -0.216 nan 4.420 nan 0.000 0.218 213 P C 1.005 178.284 177.300 -0.035 0.000 1.146 213 P CA 1.401 64.471 63.100 -0.051 0.000 0.813 213 P CB 0.165 31.855 31.700 -0.016 0.000 0.778 214 Q N -0.397 119.382 119.800 -0.035 0.000 2.360 214 Q HA 0.237 4.578 4.340 0.001 0.000 0.202 214 Q C 1.305 177.342 176.000 0.061 0.000 0.915 214 Q CA 0.360 56.173 55.803 0.016 0.000 0.943 214 Q CB 0.019 28.776 28.738 0.032 0.000 1.064 214 Q HN 0.207 nan 8.270 nan 0.000 0.511 215 G N 0.722 109.526 108.800 0.007 0.000 2.537 215 G HA2 0.269 4.230 3.960 0.001 0.000 0.323 215 G HA3 0.269 4.230 3.960 0.001 0.000 0.323 215 G C -1.222 173.699 174.900 0.035 0.000 1.207 215 G CA -0.696 44.498 45.100 0.156 0.000 0.976 215 G HN 0.048 nan 8.290 nan 0.000 0.487 216 D N 0.532 120.874 120.400 -0.097 0.000 2.570 216 D HA 0.081 4.721 4.640 0.001 0.000 0.243 216 D C -1.202 175.059 176.300 -0.064 0.000 1.171 216 D CA -0.762 53.004 54.000 -0.390 0.000 0.879 216 D CB 1.232 41.429 40.800 -1.004 0.000 1.143 216 D HN -0.045 nan 8.370 nan 0.000 0.511 217 P HA -0.163 nan 4.420 nan 0.000 0.215 217 P C 1.036 178.340 177.300 0.006 0.000 1.153 217 P CA 0.977 64.058 63.100 -0.031 0.000 0.853 217 P CB 0.138 31.815 31.700 -0.038 0.000 0.788 218 E N -0.554 119.645 120.200 -0.002 0.000 2.031 218 E HA -0.187 4.164 4.350 0.001 0.000 0.193 218 E C 1.795 178.444 176.600 0.081 0.000 0.994 218 E CA 2.276 58.692 56.400 0.027 0.000 0.800 218 E CB -0.386 29.322 29.700 0.013 0.000 0.752 218 E HN 0.266 nan 8.360 nan 0.000 0.447 219 T N -1.486 113.154 114.554 0.143 0.000 2.857 219 T HA 0.072 4.423 4.350 0.001 0.000 0.266 219 T C 2.011 176.927 174.700 0.359 0.000 1.048 219 T CA 0.917 63.166 62.100 0.248 0.000 1.139 219 T CB -0.280 68.746 68.868 0.263 0.000 0.874 219 T HN 0.221 nan 8.240 nan 0.000 0.455 220 A N 1.840 124.858 122.820 0.330 0.000 1.978 220 A HA 0.288 4.609 4.320 0.001 0.000 0.220 220 A C 2.757 180.366 177.584 0.041 0.000 1.170 220 A CA 1.804 53.885 52.037 0.073 0.000 0.636 220 A CB -1.292 17.648 19.000 -0.101 0.000 0.810 220 A HN 0.745 nan 8.150 nan 0.000 0.448 221 A N -0.275 122.578 122.820 0.055 0.000 1.929 221 A HA 0.051 4.371 4.320 0.001 0.000 0.216 221 A C 2.102 179.714 177.584 0.048 0.000 1.176 221 A CA 1.293 53.348 52.037 0.031 0.000 0.628 221 A CB -0.509 18.505 19.000 0.023 0.000 0.816 221 A HN 0.472 nan 8.150 nan 0.000 0.444 222 L N -0.868 120.402 121.223 0.079 0.000 2.141 222 L HA -0.144 4.196 4.340 0.001 0.000 0.209 222 L C 2.524 179.444 176.870 0.083 0.000 1.094 222 L CA 0.950 55.836 54.840 0.076 0.000 0.763 222 L CB -0.588 41.523 42.059 0.087 0.000 0.908 222 L HN 0.470 nan 8.230 nan 0.000 0.437 223 L N 0.468 121.760 121.223 0.115 0.000 2.017 223 L HA -0.206 4.135 4.340 0.001 0.000 0.208 223 L C 2.752 179.651 176.870 0.048 0.000 1.073 223 L CA 1.734 56.635 54.840 0.102 0.000 0.745 223 L CB -0.660 41.472 42.059 0.122 0.000 0.894 223 L HN 0.131 nan 8.230 nan 0.000 0.432 224 R N -0.560 119.955 120.500 0.025 0.000 2.096 224 R HA -0.211 4.130 4.340 0.001 0.000 0.240 224 R C 2.447 178.755 176.300 0.014 0.000 1.139 224 R CA 2.041 58.145 56.100 0.006 0.000 0.952 224 R CB -0.236 30.060 30.300 -0.007 0.000 0.854 224 R HN 0.348 nan 8.270 nan 0.000 0.436 225 R N -0.231 120.281 120.500 0.021 0.000 2.096 225 R HA -0.058 4.283 4.340 0.001 0.000 0.235 225 R C 2.371 178.686 176.300 0.025 0.000 1.127 225 R CA 1.352 57.464 56.100 0.020 0.000 0.968 225 R CB -0.321 29.991 30.300 0.021 0.000 0.861 225 R HN 0.324 nan 8.270 nan 0.000 0.440 226 A N 1.108 123.948 122.820 0.033 0.000 1.902 226 A HA -0.129 4.191 4.320 0.001 0.000 0.217 226 A C 2.140 179.739 177.584 0.025 0.000 1.181 226 A CA 1.129 53.187 52.037 0.036 0.000 0.623 226 A CB -0.537 18.491 19.000 0.047 0.000 0.818 226 A HN 0.179 nan 8.150 nan 0.000 0.443 227 L N -0.609 120.626 121.223 0.021 0.000 2.012 227 L HA -0.232 4.108 4.340 0.001 0.000 0.210 227 L C 2.664 179.541 176.870 0.011 0.000 1.073 227 L CA 1.800 56.647 54.840 0.011 0.000 0.748 227 L CB -0.689 41.376 42.059 0.010 0.000 0.891 227 L HN 0.493 nan 8.230 nan 0.000 0.431 228 E N 0.097 120.304 120.200 0.012 0.000 2.118 228 E HA -0.301 4.049 4.350 0.001 0.000 0.195 228 E C 2.127 178.737 176.600 0.017 0.000 0.992 228 E CA 1.277 57.683 56.400 0.011 0.000 0.804 228 E CB -0.134 29.570 29.700 0.008 0.000 0.741 228 E HN 0.365 nan 8.360 nan 0.000 0.458 229 K N 1.362 121.775 120.400 0.022 0.000 2.103 229 K HA -0.204 4.117 4.320 0.001 0.000 0.207 229 K C 1.550 178.174 176.600 0.039 0.000 1.048 229 K CA 1.358 57.663 56.287 0.030 0.000 0.930 229 K CB 0.050 32.572 32.500 0.035 0.000 0.716 229 K HN 0.082 nan 8.250 nan 0.000 0.444 230 E N -0.939 119.282 120.200 0.034 0.000 2.511 230 E HA -0.015 4.336 4.350 0.001 0.000 0.196 230 E C 0.544 177.167 176.600 0.039 0.000 1.066 230 E CA 0.478 56.904 56.400 0.043 0.000 0.871 230 E CB 0.255 29.952 29.700 -0.006 0.000 0.863 230 E HN 0.659 nan 8.360 nan 0.000 0.520 231 G N 1.561 110.378 108.800 0.029 0.000 2.144 231 G HA2 -0.245 3.716 3.960 0.001 0.000 0.218 231 G HA3 -0.245 3.716 3.960 0.001 0.000 0.218 231 G C 0.160 175.071 174.900 0.019 0.000 0.988 231 G CA -0.327 44.788 45.100 0.024 0.000 0.659 231 G HN 0.195 nan 8.290 nan 0.000 0.522 232 I N 1.356 121.935 120.570 0.015 0.000 2.315 232 I HA 0.328 4.499 4.170 0.001 0.000 0.291 232 I C 0.855 176.973 176.117 0.003 0.000 1.006 232 I CA -0.830 60.477 61.300 0.011 0.000 1.265 232 I CB 1.014 39.022 38.000 0.013 0.000 1.387 232 I HN -0.069 nan 8.210 nan 0.000 0.475 233 R N 5.833 126.331 120.500 -0.003 0.000 2.288 233 R HA 0.293 4.634 4.340 0.001 0.000 0.330 233 R C -1.061 175.229 176.300 -0.015 0.000 1.069 233 R CA -0.288 55.806 56.100 -0.010 0.000 0.941 233 R CB 0.847 31.139 30.300 -0.014 0.000 0.998 233 R HN 0.363 nan 8.270 nan 0.000 0.452 234 V N 6.451 126.356 119.914 -0.015 0.000 2.333 234 V HA 0.323 4.443 4.120 0.001 0.000 0.274 234 V C 0.394 176.473 176.094 -0.024 0.000 1.028 234 V CA -0.738 61.551 62.300 -0.020 0.000 0.851 234 V CB 1.260 33.073 31.823 -0.017 0.000 1.000 234 V HN 0.445 nan 8.190 nan 0.000 0.456 235 R N 3.261 123.743 120.500 -0.029 0.000 2.278 235 R HA 0.356 4.697 4.340 0.001 0.000 0.322 235 R C 0.460 176.737 176.300 -0.039 0.000 1.058 235 R CA -0.293 55.788 56.100 -0.033 0.000 0.991 235 R CB 1.045 31.325 30.300 -0.033 0.000 1.140 235 R HN 0.856 nan 8.270 nan 0.000 0.518 236 T N -1.358 113.172 114.554 -0.041 0.000 2.849 236 T HA 0.219 4.570 4.350 0.001 0.000 0.284 236 T C 0.407 175.063 174.700 -0.073 0.000 1.004 236 T CA -0.653 61.418 62.100 -0.049 0.000 1.021 236 T CB 1.069 69.911 68.868 -0.043 0.000 1.013 236 T HN 0.610 nan 8.240 nan 0.000 0.527 237 K N 0.018 120.356 120.400 -0.102 0.000 3.069 237 K HA -0.136 4.185 4.320 0.001 0.000 0.267 237 K C -0.453 176.028 176.600 -0.199 0.000 1.082 237 K CA 0.821 57.003 56.287 -0.175 0.000 0.782 237 K CB -2.191 30.231 32.500 -0.130 0.000 1.230 237 K HN 0.841 nan 8.250 nan 0.000 0.488 238 T N 0.444 114.904 114.554 -0.157 0.000 2.900 238 T HA 0.488 4.838 4.350 0.001 0.000 0.295 238 T C -0.548 174.121 174.700 -0.052 0.000 1.044 238 T CA -1.045 60.990 62.100 -0.108 0.000 0.995 238 T CB 2.161 70.996 68.868 -0.055 0.000 1.072 238 T HN 0.275 nan 8.240 nan 0.000 0.473 239 K N 0.002 120.404 120.400 0.004 0.000 2.400 239 K HA 0.883 5.203 4.320 0.001 0.000 0.246 239 K C -1.386 175.276 176.600 0.103 0.000 0.995 239 K CA -1.295 55.068 56.287 0.126 0.000 0.840 239 K CB 2.141 34.800 32.500 0.264 0.000 1.293 239 K HN 0.563 nan 8.250 nan 0.000 0.445 240 A N 2.074 124.972 122.820 0.130 0.000 2.277 240 A HA 0.406 4.727 4.320 0.001 0.000 0.318 240 A C 0.544 178.364 177.584 0.393 0.000 1.339 240 A CA -0.874 51.286 52.037 0.205 0.000 0.875 240 A CB 0.623 19.617 19.000 -0.010 0.000 1.158 240 A HN 0.533 nan 8.150 nan 0.000 0.514 241 V N 2.602 122.686 119.914 0.284 0.000 2.239 241 V HA 0.231 4.351 4.120 0.001 0.000 0.242 241 V C 1.549 177.706 176.094 0.106 0.000 1.038 241 V CA 1.957 64.368 62.300 0.185 0.000 1.002 241 V CB -0.983 30.897 31.823 0.095 0.000 0.641 241 V HN 1.058 nan 8.190 nan 0.000 0.449 242 G N -1.682 107.143 108.800 0.042 0.000 2.554 242 G HA2 0.593 4.554 3.960 0.001 0.000 0.306 242 G HA3 0.593 4.554 3.960 0.001 0.000 0.306 242 G C -1.900 172.973 174.900 -0.045 0.000 1.320 242 G CA -0.026 44.892 45.100 -0.303 0.000 0.800 242 G HN 0.411 nan 8.290 nan 0.000 0.481 243 Y N -1.517 118.578 120.300 -0.342 0.000 2.670 243 Y HA 0.857 5.407 4.550 0.001 0.000 0.334 243 Y C -1.215 174.628 175.900 -0.095 0.000 1.185 243 Y CA -1.657 56.385 58.100 -0.098 0.000 1.053 243 Y CB 1.727 40.202 38.460 0.025 0.000 1.298 243 Y HN 0.722 nan 8.280 nan 0.000 0.459 244 E N 1.978 122.050 120.200 -0.213 0.000 2.263 244 E HA 0.286 4.636 4.350 0.001 0.000 0.268 244 E C -1.674 174.871 176.600 -0.092 0.000 0.884 244 E CA -1.033 55.180 56.400 -0.311 0.000 0.766 244 E CB 1.690 31.269 29.700 -0.201 0.000 1.196 244 E HN 0.694 nan 8.360 nan 0.000 0.416 245 K N 4.571 124.902 120.400 -0.114 0.000 2.310 245 K HA 0.193 4.514 4.320 0.001 0.000 0.290 245 K C -0.684 175.909 176.600 -0.011 0.000 1.077 245 K CA 0.064 56.379 56.287 0.047 0.000 0.922 245 K CB 0.522 33.066 32.500 0.074 0.000 1.057 245 K HN 0.369 nan 8.250 nan 0.000 0.479 246 K N 2.620 123.032 120.400 0.019 0.000 2.316 246 K HA 0.161 4.481 4.320 0.001 0.000 0.234 246 K C 0.688 177.309 176.600 0.035 0.000 1.054 246 K CA -0.882 55.383 56.287 -0.035 0.000 0.879 246 K CB 1.201 33.587 32.500 -0.190 0.000 1.252 246 K HN 0.365 nan 8.250 nan 0.000 0.471 247 K N 1.267 121.679 120.400 0.021 0.000 2.063 247 K HA -0.190 4.131 4.320 0.001 0.000 0.208 247 K C 0.969 177.608 176.600 0.066 0.000 1.048 247 K CA 2.386 58.696 56.287 0.037 0.000 0.928 247 K CB -0.071 32.444 32.500 0.024 0.000 0.713 247 K HN 0.655 nan 8.250 nan 0.000 0.442 248 D N -0.945 119.519 120.400 0.107 0.000 2.349 248 D HA 0.080 4.720 4.640 0.001 0.000 0.224 248 D C 0.875 177.241 176.300 0.110 0.000 1.029 248 D CA 0.781 54.849 54.000 0.113 0.000 0.879 248 D CB 0.448 41.333 40.800 0.143 0.000 0.906 248 D HN 0.440 nan 8.370 nan 0.000 0.528 249 G N -0.179 108.702 108.800 0.134 0.000 2.280 249 G HA2 0.053 4.014 3.960 0.001 0.000 0.277 249 G HA3 0.053 4.014 3.960 0.001 0.000 0.277 249 G C -1.749 173.275 174.900 0.207 0.000 1.288 249 G CA -0.656 44.511 45.100 0.113 0.000 1.075 249 G HN 0.137 nan 8.290 nan 0.000 0.480 250 L N 1.716 123.037 121.223 0.163 0.000 2.264 250 L HA 0.459 4.799 4.340 0.001 0.000 0.289 250 L C 0.323 177.346 176.870 0.254 0.000 1.044 250 L CA -0.427 54.573 54.840 0.266 0.000 0.807 250 L CB 1.180 43.345 42.059 0.177 0.000 1.192 250 L HN 0.548 nan 8.230 nan 0.000 0.425 251 H N 3.373 122.529 119.070 0.143 0.000 2.741 251 H HA 0.357 4.914 4.556 0.001 0.000 0.282 251 H C -0.691 174.733 175.328 0.161 0.000 1.122 251 H CA -0.646 55.464 56.048 0.104 0.000 1.293 251 H CB 1.153 30.946 29.762 0.053 0.000 1.415 251 H HN 0.282 nan 8.280 nan 0.000 0.472 252 V N 4.553 124.605 119.914 0.230 0.000 2.481 252 V HA 0.175 4.296 4.120 0.001 0.000 0.286 252 V C 0.585 176.791 176.094 0.187 0.000 1.042 252 V CA -0.653 61.813 62.300 0.276 0.000 0.928 252 V CB 1.780 33.756 31.823 0.254 0.000 0.986 252 V HN 0.669 nan 8.190 nan 0.000 0.462 253 R N 4.766 125.381 120.500 0.191 0.000 2.265 253 R HA 0.646 4.987 4.340 0.001 0.000 0.319 253 R C -1.369 175.008 176.300 0.129 0.000 1.006 253 R CA -0.486 55.688 56.100 0.124 0.000 0.880 253 R CB 0.682 31.035 30.300 0.087 0.000 1.077 253 R HN 0.701 nan 8.270 nan 0.000 0.454 254 L N 3.377 124.649 121.223 0.082 0.000 2.342 254 L HA 0.544 4.884 4.340 0.001 0.000 0.271 254 L C 0.211 177.106 176.870 0.041 0.000 1.008 254 L CA -0.654 54.225 54.840 0.064 0.000 0.818 254 L CB 2.129 44.209 42.059 0.034 0.000 1.296 254 L HN 0.800 nan 8.230 nan 0.000 0.427 255 E N 0.045 120.265 120.200 0.034 0.000 3.877 255 E HA 0.041 4.391 4.350 0.001 0.000 0.125 255 E C 0.261 176.850 176.600 -0.018 0.000 1.063 255 E CA -0.370 56.038 56.400 0.014 0.000 0.802 255 E CB 0.349 30.066 29.700 0.028 0.000 1.933 255 E HN 0.642 nan 8.360 nan 0.000 0.413 256 E N 1.038 121.147 120.200 -0.151 0.000 2.711 256 E HA -0.328 4.023 4.350 0.001 0.000 0.258 256 E C 0.453 177.058 176.600 0.009 0.000 1.094 256 E CA 2.304 58.691 56.400 -0.023 0.000 1.444 256 E CB -0.936 28.750 29.700 -0.024 0.000 1.291 256 E HN 0.580 nan 8.360 nan 0.000 0.435 257 G N -1.127 107.666 108.800 -0.011 0.000 2.350 257 G HA2 0.550 4.510 3.960 0.001 0.000 0.305 257 G HA3 0.550 4.510 3.960 0.001 0.000 0.305 257 G C -0.153 174.745 174.900 -0.004 0.000 1.479 257 G CA 0.294 45.397 45.100 0.005 0.000 0.949 257 G HN 1.134 nan 8.290 nan 0.000 0.651 258 G N -1.020 107.781 108.800 0.002 0.000 2.350 258 G HA2 0.447 4.408 3.960 0.001 0.000 0.282 258 G HA3 0.447 4.408 3.960 0.001 0.000 0.282 258 G C -0.782 174.119 174.900 0.002 0.000 1.314 258 G CA -0.294 44.805 45.100 -0.001 0.000 0.915 258 G HN 0.837 nan 8.290 nan 0.000 0.499 259 E N 0.512 120.712 120.200 0.000 0.000 2.614 259 E HA 0.325 4.676 4.350 0.001 0.000 0.245 259 E C 0.990 177.593 176.600 0.006 0.000 1.039 259 E CA 0.607 57.009 56.400 0.003 0.000 0.948 259 E CB 0.366 30.067 29.700 0.001 0.000 0.937 259 E HN 0.804 nan 8.360 nan 0.000 0.498 260 G N 4.286 113.093 108.800 0.012 0.000 2.361 260 G HA2 0.044 4.005 3.960 0.001 0.000 0.260 260 G HA3 0.044 4.005 3.960 0.001 0.000 0.260 260 G C -0.060 174.852 174.900 0.020 0.000 1.261 260 G CA -0.409 44.702 45.100 0.020 0.000 0.897 260 G HN 0.557 nan 8.290 nan 0.000 0.499 261 E N 1.272 121.484 120.200 0.021 0.000 2.227 261 E HA 0.525 4.876 4.350 0.001 0.000 0.268 261 E C -0.633 175.984 176.600 0.029 0.000 0.990 261 E CA -0.905 55.506 56.400 0.018 0.000 0.856 261 E CB 2.169 31.874 29.700 0.008 0.000 1.159 261 E HN 0.473 nan 8.360 nan 0.000 0.401 262 E N 1.395 121.610 120.200 0.025 0.000 2.212 262 E HA 0.447 4.797 4.350 0.001 0.000 0.268 262 E C -1.838 174.762 176.600 -0.001 0.000 0.902 262 E CA -1.051 55.367 56.400 0.030 0.000 0.779 262 E CB 2.238 31.966 29.700 0.047 0.000 1.172 262 E HN 0.326 nan 8.360 nan 0.000 0.409 263 V N 4.570 124.480 119.914 -0.007 0.000 2.760 263 V HA 0.492 4.613 4.120 0.001 0.000 0.309 263 V C -1.513 174.532 176.094 -0.082 0.000 1.077 263 V CA -0.531 61.744 62.300 -0.042 0.000 0.910 263 V CB 1.977 33.784 31.823 -0.027 0.000 1.008 263 V HN 0.542 nan 8.190 nan 0.000 0.424 264 V N 7.301 127.131 119.914 -0.139 0.000 2.384 264 V HA 0.727 4.848 4.120 0.001 0.000 0.287 264 V C -0.019 176.006 176.094 -0.116 0.000 1.020 264 V CA -0.093 62.087 62.300 -0.200 0.000 0.850 264 V CB 1.400 33.009 31.823 -0.356 0.000 0.987 264 V HN 0.984 nan 8.190 nan 0.000 0.436 265 V N 0.940 120.801 119.914 -0.087 0.000 3.158 265 V HA 0.664 4.785 4.120 0.001 0.000 0.311 265 V C 0.152 176.200 176.094 -0.078 0.000 1.181 265 V CA -0.605 61.644 62.300 -0.085 0.000 1.054 265 V CB 2.456 34.212 31.823 -0.111 0.000 1.085 265 V HN 0.571 nan 8.190 nan 0.000 0.446 266 D N -0.114 120.228 120.400 -0.096 0.000 2.277 266 D HA 0.201 4.841 4.640 0.001 0.000 0.209 266 D C 0.178 176.361 176.300 -0.195 0.000 0.970 266 D CA 0.982 54.925 54.000 -0.095 0.000 0.874 266 D CB 0.744 41.508 40.800 -0.060 0.000 0.982 266 D HN 0.473 nan 8.370 nan 0.000 0.504 267 K N -0.032 120.184 120.400 -0.307 0.000 2.508 267 K HA 0.460 4.781 4.320 0.001 0.000 0.260 267 K C -1.595 174.700 176.600 -0.508 0.000 0.949 267 K CA -0.652 55.302 56.287 -0.556 0.000 0.834 267 K CB 2.945 34.876 32.500 -0.947 0.000 1.365 267 K HN -0.330 nan 8.250 nan 0.000 0.437 268 V N 3.206 122.782 119.914 -0.563 0.000 2.588 268 V HA 0.525 4.646 4.120 0.001 0.000 0.304 268 V C -1.237 174.661 176.094 -0.327 0.000 1.042 268 V CA -0.984 61.067 62.300 -0.415 0.000 0.877 268 V CB 1.522 33.103 31.823 -0.403 0.000 0.996 268 V HN 0.654 nan 8.190 nan 0.000 0.425 269 L N 6.269 127.365 121.223 -0.211 0.000 2.296 269 L HA 0.718 5.058 4.340 0.001 0.000 0.286 269 L C -0.554 176.299 176.870 -0.030 0.000 1.023 269 L CA -0.036 54.788 54.840 -0.027 0.000 0.812 269 L CB 1.777 43.838 42.059 0.003 0.000 1.223 269 L HN 0.429 nan 8.230 nan 0.000 0.421 270 V N 5.696 125.676 119.914 0.109 0.000 2.318 270 V HA 0.705 4.826 4.120 0.001 0.000 0.271 270 V C 0.515 176.701 176.094 0.154 0.000 1.030 270 V CA 0.092 62.437 62.300 0.075 0.000 0.844 270 V CB 0.780 32.633 31.823 0.050 0.000 1.015 270 V HN 0.950 nan 8.190 nan 0.000 0.460 271 A N 4.278 127.137 122.820 0.064 0.000 3.297 271 A HA 0.514 4.834 4.320 0.001 0.000 0.304 271 A C 0.675 178.283 177.584 0.041 0.000 0.963 271 A CA 0.051 52.131 52.037 0.072 0.000 0.935 271 A CB 0.760 19.794 19.000 0.057 0.000 1.093 271 A HN 0.976 nan 8.150 nan 0.000 0.480 272 V N -2.728 117.210 119.914 0.040 0.000 3.506 272 V HA 0.616 4.737 4.120 0.001 0.000 0.263 272 V C 0.804 176.916 176.094 0.031 0.000 1.203 272 V CA 0.805 63.115 62.300 0.018 0.000 1.133 272 V CB -0.515 31.307 31.823 -0.003 0.000 0.802 272 V HN 1.320 nan 8.190 nan 0.000 0.459 273 G N -0.191 108.642 108.800 0.056 0.000 2.317 273 G HA2 0.485 4.445 3.960 0.001 0.000 0.293 273 G HA3 0.485 4.445 3.960 0.001 0.000 0.293 273 G C -1.674 173.273 174.900 0.078 0.000 1.287 273 G CA -0.974 44.163 45.100 0.063 0.000 0.850 273 G HN 0.234 nan 8.290 nan 0.000 0.515 274 R N -0.380 120.171 120.500 0.085 0.000 2.867 274 R HA 0.738 5.079 4.340 0.001 0.000 0.268 274 R C -0.979 175.354 176.300 0.055 0.000 1.014 274 R CA -0.902 55.243 56.100 0.076 0.000 0.946 274 R CB 2.252 32.603 30.300 0.085 0.000 1.208 274 R HN 0.689 nan 8.270 nan 0.000 0.477 275 K N 2.071 122.469 120.400 -0.003 0.000 2.507 275 K HA 0.383 4.703 4.320 0.001 0.000 0.251 275 K C -2.547 173.951 176.600 -0.170 0.000 0.943 275 K CA -1.778 54.444 56.287 -0.107 0.000 0.794 275 K CB 2.208 34.671 32.500 -0.061 0.000 1.188 275 K HN 0.217 nan 8.250 nan 0.000 0.428 276 P HA 0.016 nan 4.420 nan 0.000 0.267 276 P C -0.984 176.209 177.300 -0.179 0.000 1.205 276 P CA 0.012 62.919 63.100 -0.322 0.000 0.765 276 P CB 0.487 31.791 31.700 -0.660 0.000 0.828 277 R N 2.201 122.649 120.500 -0.087 0.000 4.164 277 R HA 0.109 4.450 4.340 0.001 0.000 0.195 277 R C 1.405 177.687 176.300 -0.031 0.000 1.712 277 R CA 0.058 56.136 56.100 -0.038 0.000 1.457 277 R CB -0.607 29.692 30.300 -0.002 0.000 1.387 277 R HN 0.585 nan 8.270 nan 0.000 0.785 278 T N -2.857 111.667 114.554 -0.051 0.000 3.004 278 T HA 0.015 4.365 4.350 0.001 0.000 0.243 278 T C 0.668 175.368 174.700 -0.001 0.000 1.020 278 T CA -0.249 61.832 62.100 -0.032 0.000 1.145 278 T CB 0.110 68.946 68.868 -0.053 0.000 0.876 278 T HN 0.320 nan 8.240 nan 0.000 0.449 279 E N 1.429 121.628 120.200 -0.001 0.000 2.521 279 E HA 0.292 4.643 4.350 0.001 0.000 0.270 279 E C 1.256 177.893 176.600 0.062 0.000 1.082 279 E CA 0.624 57.036 56.400 0.020 0.000 0.997 279 E CB -0.302 29.404 29.700 0.010 0.000 0.990 279 E HN 0.596 nan 8.360 nan 0.000 0.458 280 G N 1.184 110.021 108.800 0.060 0.000 2.244 280 G HA2 -0.299 3.661 3.960 0.001 0.000 0.274 280 G HA3 -0.299 3.661 3.960 0.001 0.000 0.274 280 G C 0.534 175.524 174.900 0.150 0.000 1.002 280 G CA 0.759 45.914 45.100 0.092 0.000 0.740 280 G HN 0.385 nan 8.290 nan 0.000 0.516 281 L N -0.559 120.726 121.223 0.105 0.000 2.416 281 L HA 0.515 4.856 4.340 0.001 0.000 0.216 281 L C 2.188 179.093 176.870 0.059 0.000 1.098 281 L CA 2.088 56.977 54.840 0.081 0.000 0.840 281 L CB 0.021 42.087 42.059 0.012 0.000 0.981 281 L HN 1.231 nan 8.230 nan 0.000 0.462 282 G N -1.715 107.114 108.800 0.050 0.000 2.184 282 G HA2 -0.254 3.707 3.960 0.001 0.000 0.206 282 G HA3 -0.254 3.707 3.960 0.001 0.000 0.206 282 G C 1.034 175.948 174.900 0.023 0.000 0.995 282 G CA 0.326 45.449 45.100 0.038 0.000 0.651 282 G HN 0.281 nan 8.290 nan 0.000 0.511 283 L N 1.166 122.400 121.223 0.017 0.000 2.021 283 L HA -0.175 4.166 4.340 0.001 0.000 0.215 283 L C 3.087 179.963 176.870 0.009 0.000 1.074 283 L CA 2.321 57.166 54.840 0.009 0.000 0.760 283 L CB -0.553 41.510 42.059 0.005 0.000 0.889 283 L HN 0.578 nan 8.230 nan 0.000 0.433 284 E N 1.043 121.250 120.200 0.012 0.000 2.171 284 E HA -0.277 4.074 4.350 0.001 0.000 0.197 284 E C 1.813 178.419 176.600 0.010 0.000 0.997 284 E CA 1.540 57.946 56.400 0.010 0.000 0.810 284 E CB -0.319 29.388 29.700 0.012 0.000 0.738 284 E HN 0.572 nan 8.360 nan 0.000 0.467 285 K N 0.551 120.959 120.400 0.013 0.000 2.044 285 K HA 0.164 4.484 4.320 0.001 0.000 0.204 285 K C 2.252 178.858 176.600 0.010 0.000 1.045 285 K CA 0.819 57.114 56.287 0.012 0.000 0.951 285 K CB -0.081 32.429 32.500 0.017 0.000 0.738 285 K HN 0.156 nan 8.250 nan 0.000 0.443 286 A N 0.425 123.251 122.820 0.009 0.000 2.225 286 A HA 0.023 4.344 4.320 0.001 0.000 0.215 286 A C 1.499 179.083 177.584 -0.000 0.000 1.164 286 A CA 1.518 53.558 52.037 0.006 0.000 0.710 286 A CB -0.585 18.419 19.000 0.006 0.000 0.780 286 A HN 0.529 nan 8.150 nan 0.000 0.473 287 G N -2.345 106.455 108.800 0.001 0.000 2.213 287 G HA2 -0.216 3.745 3.960 0.001 0.000 0.226 287 G HA3 -0.216 3.745 3.960 0.001 0.000 0.226 287 G C 0.261 175.158 174.900 -0.005 0.000 0.992 287 G CA -0.027 45.072 45.100 -0.003 0.000 0.632 287 G HN 0.832 nan 8.290 nan 0.000 0.511 288 V N 2.918 122.829 119.914 -0.005 0.000 2.420 288 V HA 0.192 4.313 4.120 0.001 0.000 0.274 288 V C 1.096 177.191 176.094 0.002 0.000 1.003 288 V CA 0.691 62.988 62.300 -0.005 0.000 1.092 288 V CB 0.346 32.166 31.823 -0.004 0.000 1.002 288 V HN 0.404 nan 8.190 nan 0.000 0.473 289 K N 3.698 124.100 120.400 0.003 0.000 2.168 289 K HA 0.667 4.988 4.320 0.001 0.000 0.258 289 K C -0.523 176.087 176.600 0.018 0.000 1.010 289 K CA -0.465 55.827 56.287 0.009 0.000 0.929 289 K CB 1.391 33.897 32.500 0.009 0.000 0.998 289 K HN 0.446 nan 8.250 nan 0.000 0.479 290 V N 0.969 120.896 119.914 0.021 0.000 3.130 290 V HA 0.135 4.256 4.120 0.001 0.000 0.310 290 V C -0.838 175.280 176.094 0.040 0.000 1.158 290 V CA -0.972 61.348 62.300 0.033 0.000 1.029 290 V CB 2.260 34.092 31.823 0.016 0.000 1.057 290 V HN 0.978 nan 8.190 nan 0.000 0.436 291 D N 0.321 120.762 120.400 0.067 0.000 2.539 291 D HA 0.362 5.003 4.640 0.001 0.000 0.276 291 D C 0.620 176.957 176.300 0.061 0.000 1.206 291 D CA -0.490 53.553 54.000 0.072 0.000 1.081 291 D CB 0.729 41.594 40.800 0.109 0.000 1.142 291 D HN 0.430 nan 8.370 nan 0.000 0.595 292 E N -0.949 119.289 120.200 0.063 0.000 2.209 292 E HA -0.111 4.240 4.350 0.001 0.000 0.196 292 E C 1.792 178.420 176.600 0.047 0.000 0.993 292 E CA 1.205 57.633 56.400 0.047 0.000 0.819 292 E CB -0.182 29.544 29.700 0.044 0.000 0.745 292 E HN 0.358 nan 8.360 nan 0.000 0.477 293 R N -1.370 119.187 120.500 0.095 0.000 2.254 293 R HA 0.233 4.574 4.340 0.001 0.000 0.195 293 R C 1.120 177.340 176.300 -0.134 0.000 0.957 293 R CA 0.672 56.810 56.100 0.063 0.000 1.024 293 R CB 0.532 31.013 30.300 0.302 0.000 0.952 293 R HN 0.285 nan 8.270 nan 0.000 0.484 294 G N -0.132 108.610 108.800 -0.097 0.000 2.192 294 G HA2 -0.222 3.739 3.960 0.001 0.000 0.193 294 G HA3 -0.222 3.739 3.960 0.001 0.000 0.193 294 G C -0.064 174.697 174.900 -0.231 0.000 0.999 294 G CA -0.727 44.257 45.100 -0.193 0.000 0.659 294 G HN 0.129 nan 8.290 nan 0.000 0.503 295 F N 1.561 121.508 119.950 -0.005 0.000 2.456 295 F HA 0.506 5.034 4.527 0.001 0.000 0.358 295 F C 1.491 177.284 175.800 -0.011 0.000 1.095 295 F CA -0.585 57.409 58.000 -0.011 0.000 1.216 295 F CB 0.654 39.644 39.000 -0.017 0.000 1.125 295 F HN -0.038 nan 8.300 nan 0.000 0.549 296 I N 4.785 125.446 120.570 0.151 0.000 2.576 296 I HA 0.024 4.195 4.170 0.001 0.000 0.288 296 I C 0.576 176.741 176.117 0.080 0.000 1.126 296 I CA -0.011 61.340 61.300 0.084 0.000 1.362 296 I CB -0.138 37.895 38.000 0.055 0.000 1.419 296 I HN 0.490 nan 8.210 nan 0.000 0.533 297 R N 5.491 126.028 120.500 0.062 0.000 2.537 297 R HA 0.214 4.554 4.340 0.001 0.000 0.281 297 R C -0.349 175.966 176.300 0.025 0.000 0.988 297 R CA 0.201 56.325 56.100 0.041 0.000 1.077 297 R CB 0.343 30.661 30.300 0.030 0.000 0.932 297 R HN 0.605 nan 8.270 nan 0.000 0.409 298 V N -0.588 119.337 119.914 0.017 0.000 3.216 298 V HA 0.467 4.588 4.120 0.001 0.000 0.302 298 V C -0.950 175.151 176.094 0.012 0.000 1.286 298 V CA -1.399 60.912 62.300 0.017 0.000 1.048 298 V CB 2.178 34.018 31.823 0.028 0.000 1.081 298 V HN 0.873 nan 8.190 nan 0.000 0.442 299 N N 1.242 119.957 118.700 0.025 0.000 2.717 299 N HA 0.738 5.478 4.740 0.001 0.000 0.314 299 N C 0.949 176.486 175.510 0.044 0.000 1.324 299 N CA -0.141 52.925 53.050 0.027 0.000 0.902 299 N CB 0.688 39.193 38.487 0.031 0.000 1.126 299 N HN 1.052 nan 8.380 nan 0.000 0.579 300 A N -0.946 121.908 122.820 0.057 0.000 2.121 300 A HA -0.011 4.310 4.320 0.001 0.000 0.218 300 A C 1.668 179.331 177.584 0.132 0.000 1.154 300 A CA 0.741 52.835 52.037 0.095 0.000 0.679 300 A CB -0.635 18.417 19.000 0.086 0.000 0.795 300 A HN 0.584 nan 8.150 nan 0.000 0.458 301 R N -1.213 119.359 120.500 0.119 0.000 2.320 301 R HA 0.154 4.494 4.340 0.001 0.000 0.211 301 R C -0.154 176.274 176.300 0.214 0.000 0.931 301 R CA 0.009 56.202 56.100 0.155 0.000 1.071 301 R CB 0.008 30.396 30.300 0.146 0.000 1.025 301 R HN 0.317 nan 8.270 nan 0.000 0.495 302 M N 0.181 119.885 119.600 0.173 0.000 2.537 302 M HA -0.200 4.281 4.480 0.001 0.000 0.205 302 M C -0.854 175.625 176.300 0.300 0.000 0.450 302 M CA 1.063 56.479 55.300 0.193 0.000 0.553 302 M CB -2.474 30.230 32.600 0.173 0.000 2.046 302 M HN 0.195 nan 8.290 nan 0.000 0.797 303 E N -0.076 120.222 120.200 0.163 0.000 2.187 303 E HA 0.552 4.902 4.350 0.001 0.000 0.268 303 E C 0.873 177.460 176.600 -0.021 0.000 0.896 303 E CA -0.004 56.399 56.400 0.005 0.000 0.766 303 E CB 1.713 31.380 29.700 -0.055 0.000 1.142 303 E HN 0.436 nan 8.360 nan 0.000 0.408 304 T N -0.814 113.704 114.554 -0.061 0.000 3.225 304 T HA 0.057 4.407 4.350 0.001 0.000 0.347 304 T C 1.319 175.994 174.700 -0.042 0.000 1.254 304 T CA 0.259 62.339 62.100 -0.033 0.000 0.950 304 T CB 0.280 69.132 68.868 -0.027 0.000 1.873 304 T HN 0.366 nan 8.240 nan 0.000 0.563 305 S N -1.154 114.528 115.700 -0.030 0.000 2.593 305 S HA 0.302 4.773 4.470 0.001 0.000 0.217 305 S C 0.238 174.816 174.600 -0.037 0.000 0.966 305 S CA -0.620 57.565 58.200 -0.026 0.000 0.914 305 S CB -0.368 62.824 63.200 -0.012 0.000 0.776 305 S HN 0.513 nan 8.310 nan 0.000 0.523 306 V N 3.047 122.928 119.914 -0.055 0.000 2.487 306 V HA 0.462 4.583 4.120 0.001 0.000 0.298 306 V C -2.678 173.357 176.094 -0.099 0.000 1.028 306 V CA -2.285 59.979 62.300 -0.060 0.000 0.860 306 V CB 1.608 33.404 31.823 -0.046 0.000 0.991 306 V HN 0.091 nan 8.190 nan 0.000 0.427 307 P HA 0.202 nan 4.420 nan 0.000 0.264 307 P C 0.948 178.169 177.300 -0.132 0.000 1.193 307 P CA 1.377 64.412 63.100 -0.108 0.000 0.763 307 P CB 0.592 32.257 31.700 -0.059 0.000 0.810 308 G N 1.419 110.089 108.800 -0.217 0.000 2.162 308 G HA2 -0.203 3.757 3.960 0.001 0.000 0.260 308 G HA3 -0.203 3.757 3.960 0.001 0.000 0.260 308 G C -0.045 174.704 174.900 -0.253 0.000 0.976 308 G CA -0.120 44.863 45.100 -0.195 0.000 0.655 308 G HN 0.523 nan 8.290 nan 0.000 0.533 309 V N 1.154 120.862 119.914 -0.344 0.000 2.350 309 V HA 0.614 4.735 4.120 0.001 0.000 0.285 309 V C -0.299 175.615 176.094 -0.299 0.000 1.014 309 V CA -1.016 61.151 62.300 -0.221 0.000 0.831 309 V CB 0.726 32.487 31.823 -0.103 0.000 1.000 309 V HN 0.268 nan 8.190 nan 0.000 0.433 310 Y N 2.381 122.687 120.300 0.010 0.000 2.420 310 Y HA 0.790 5.341 4.550 0.001 0.000 0.334 310 Y C 0.409 176.311 175.900 0.003 0.000 1.094 310 Y CA -0.857 57.249 58.100 0.010 0.000 1.126 310 Y CB 1.994 40.462 38.460 0.014 0.000 1.217 310 Y HN 0.628 nan 8.280 nan 0.000 0.462 311 A N 4.192 127.111 122.820 0.165 0.000 2.357 311 A HA 0.750 5.070 4.320 0.001 0.000 0.295 311 A C -0.772 176.850 177.584 0.065 0.000 1.121 311 A CA -0.563 51.528 52.037 0.089 0.000 0.742 311 A CB 0.125 19.161 19.000 0.061 0.000 1.181 311 A HN 0.774 nan 8.150 nan 0.000 0.454 312 I N -0.187 120.406 120.570 0.039 0.000 3.237 312 I HA 0.969 5.139 4.170 0.001 0.000 0.308 312 I C 0.746 176.854 176.117 -0.015 0.000 1.093 312 I CA -0.356 60.944 61.300 0.001 0.000 1.001 312 I CB 1.670 39.665 38.000 -0.009 0.000 1.245 312 I HN 1.420 nan 8.210 nan 0.000 0.485 313 G N 1.984 110.755 108.800 -0.048 0.000 2.575 313 G HA2 -0.269 3.692 3.960 0.001 0.000 0.267 313 G HA3 -0.269 3.692 3.960 0.001 0.000 0.267 313 G C 0.162 175.056 174.900 -0.011 0.000 1.264 313 G CA 0.701 45.771 45.100 -0.050 0.000 0.935 313 G HN 0.826 nan 8.290 nan 0.000 0.568 314 D N 0.379 120.789 120.400 0.017 0.000 2.144 314 D HA 0.089 4.729 4.640 0.001 0.000 0.199 314 D C 2.791 179.202 176.300 0.184 0.000 0.984 314 D CA 2.157 56.213 54.000 0.093 0.000 0.834 314 D CB -0.735 40.106 40.800 0.069 0.000 0.955 314 D HN 0.849 nan 8.370 nan 0.000 0.465 315 A N 0.811 123.689 122.820 0.097 0.000 1.972 315 A HA -0.033 4.288 4.320 0.001 0.000 0.219 315 A C 2.239 179.934 177.584 0.185 0.000 1.169 315 A CA 2.040 54.128 52.037 0.085 0.000 0.635 315 A CB -0.483 18.532 19.000 0.025 0.000 0.810 315 A HN 0.245 nan 8.150 nan 0.000 0.446 316 A N -0.183 122.729 122.820 0.153 0.000 1.832 316 A HA 0.277 4.597 4.320 0.001 0.000 0.214 316 A C 1.245 178.912 177.584 0.139 0.000 1.204 316 A CA 1.398 53.508 52.037 0.122 0.000 0.606 316 A CB -0.100 18.913 19.000 0.021 0.000 0.849 316 A HN 0.784 nan 8.150 nan 0.000 0.445 317 R N -2.983 117.509 120.500 -0.015 0.000 2.728 317 R HA 0.469 4.809 4.340 0.001 0.000 0.274 317 R C -3.631 172.409 176.300 -0.434 0.000 1.032 317 R CA -1.600 54.266 56.100 -0.390 0.000 0.866 317 R CB 0.385 30.512 30.300 -0.289 0.000 1.263 317 R HN -0.025 nan 8.270 nan 0.000 0.475 318 P HA 0.305 nan 4.420 nan 0.000 0.278 318 P C -2.415 174.750 177.300 -0.225 0.000 1.258 318 P CA -1.379 61.511 63.100 -0.349 0.000 0.811 318 P CB 0.306 31.782 31.700 -0.373 0.000 1.063 319 P HA 0.134 nan 4.420 nan 0.000 0.275 319 P C -0.549 176.702 177.300 -0.082 0.000 1.227 319 P CA 0.050 63.102 63.100 -0.079 0.000 0.781 319 P CB 0.567 32.258 31.700 -0.015 0.000 0.906 320 L N 3.454 124.656 121.223 -0.036 0.000 2.391 320 L HA 0.204 4.544 4.340 0.001 0.000 0.249 320 L C 0.401 177.249 176.870 -0.037 0.000 1.308 320 L CA 0.031 54.863 54.840 -0.014 0.000 1.209 320 L CB -0.946 41.143 42.059 0.049 0.000 1.401 320 L HN 0.204 nan 8.230 nan 0.000 0.416 321 L N -0.177 120.980 121.223 -0.110 0.000 2.330 321 L HA 0.568 4.909 4.340 0.001 0.000 0.271 321 L C 1.228 177.935 176.870 -0.271 0.000 1.013 321 L CA -0.423 54.300 54.840 -0.195 0.000 0.816 321 L CB 1.797 43.655 42.059 -0.335 0.000 1.287 321 L HN 0.330 nan 8.230 nan 0.000 0.435 322 A N 0.715 123.400 122.820 -0.226 0.000 1.872 322 A HA -0.151 4.170 4.320 0.001 0.000 0.214 322 A C 2.028 179.491 177.584 -0.201 0.000 1.187 322 A CA 1.362 53.304 52.037 -0.158 0.000 0.614 322 A CB -0.784 18.194 19.000 -0.037 0.000 0.826 322 A HN 0.946 nan 8.150 nan 0.000 0.442 323 H N -0.151 118.898 119.070 -0.035 0.000 2.421 323 H HA -0.103 4.454 4.556 0.001 0.000 0.298 323 H C 1.821 177.136 175.328 -0.022 0.000 1.087 323 H CA 1.492 57.507 56.048 -0.054 0.000 1.330 323 H CB -0.495 29.262 29.762 -0.009 0.000 1.388 323 H HN 0.612 nan 8.280 nan 0.000 0.526 324 K N 1.692 121.923 120.400 -0.283 0.000 2.057 324 K HA -0.030 4.291 4.320 0.001 0.000 0.206 324 K C 2.466 179.043 176.600 -0.039 0.000 1.050 324 K CA 1.112 57.377 56.287 -0.036 0.000 0.935 324 K CB -0.152 32.264 32.500 -0.141 0.000 0.715 324 K HN 0.229 nan 8.250 nan 0.000 0.439 325 A N 1.235 123.971 122.820 -0.141 0.000 1.930 325 A HA -0.117 4.203 4.320 0.001 0.000 0.217 325 A C 2.128 179.610 177.584 -0.171 0.000 1.175 325 A CA 1.521 53.477 52.037 -0.136 0.000 0.627 325 A CB -0.438 18.475 19.000 -0.144 0.000 0.815 325 A HN 0.369 nan 8.150 nan 0.000 0.443 326 M N -1.377 118.057 119.600 -0.276 0.000 2.086 326 M HA -0.157 4.323 4.480 0.001 0.000 0.261 326 M C 2.350 178.522 176.300 -0.215 0.000 1.067 326 M CA 2.018 57.008 55.300 -0.516 0.000 1.116 326 M CB -0.232 31.902 32.600 -0.777 0.000 1.348 326 M HN 0.369 nan 8.290 nan 0.000 0.407 327 R N 0.925 121.385 120.500 -0.066 0.000 2.075 327 R HA -0.104 4.236 4.340 0.001 0.000 0.232 327 R C 1.644 178.026 176.300 0.137 0.000 1.126 327 R CA 1.746 57.861 56.100 0.025 0.000 0.963 327 R CB -0.523 29.796 30.300 0.032 0.000 0.858 327 R HN 0.435 nan 8.270 nan 0.000 0.435 328 E N -1.100 119.212 120.200 0.187 0.000 2.204 328 E HA -0.099 4.251 4.350 0.001 0.000 0.195 328 E C 1.744 178.376 176.600 0.052 0.000 0.990 328 E CA 1.038 57.533 56.400 0.158 0.000 0.821 328 E CB -0.163 29.545 29.700 0.014 0.000 0.750 328 E HN 0.612 nan 8.360 nan 0.000 0.477 329 G N 1.439 110.240 108.800 0.001 0.000 2.394 329 G HA2 -0.206 3.755 3.960 0.001 0.000 0.214 329 G HA3 -0.206 3.755 3.960 0.001 0.000 0.214 329 G C 1.594 176.484 174.900 -0.017 0.000 1.176 329 G CA 0.280 45.366 45.100 -0.022 0.000 0.786 329 G HN 0.074 nan 8.290 nan 0.000 0.533 330 L N 0.559 121.791 121.223 0.015 0.000 2.042 330 L HA -0.122 4.219 4.340 0.001 0.000 0.210 330 L C 2.857 179.720 176.870 -0.012 0.000 1.076 330 L CA 0.621 55.465 54.840 0.006 0.000 0.749 330 L CB -0.564 41.505 42.059 0.017 0.000 0.893 330 L HN 0.130 nan 8.230 nan 0.000 0.432 331 I N 0.523 121.109 120.570 0.026 0.000 2.113 331 I HA -0.276 3.895 4.170 0.001 0.000 0.238 331 I C 2.938 179.012 176.117 -0.072 0.000 1.070 331 I CA 1.763 63.087 61.300 0.040 0.000 1.332 331 I CB -1.499 36.593 38.000 0.153 0.000 1.044 331 I HN 0.205 nan 8.210 nan 0.000 0.402 332 A N 1.000 123.741 122.820 -0.131 0.000 1.917 332 A HA -0.197 4.124 4.320 0.001 0.000 0.219 332 A C 2.581 179.829 177.584 -0.560 0.000 1.182 332 A CA 2.490 54.270 52.037 -0.429 0.000 0.633 332 A CB -0.909 17.923 19.000 -0.281 0.000 0.819 332 A HN 0.469 nan 8.150 nan 0.000 0.448 333 A N -0.359 122.297 122.820 -0.273 0.000 1.877 333 A HA -0.190 4.131 4.320 0.001 0.000 0.216 333 A C 1.938 179.426 177.584 -0.160 0.000 1.186 333 A CA 1.741 53.660 52.037 -0.196 0.000 0.620 333 A CB -0.611 18.331 19.000 -0.098 0.000 0.822 333 A HN 0.639 nan 8.150 nan 0.000 0.443 334 E N -0.162 119.971 120.200 -0.112 0.000 2.077 334 E HA -0.170 4.181 4.350 0.001 0.000 0.193 334 E C 1.598 178.165 176.600 -0.055 0.000 0.989 334 E CA 1.122 57.486 56.400 -0.059 0.000 0.800 334 E CB -0.190 29.495 29.700 -0.024 0.000 0.746 334 E HN 0.501 nan 8.360 nan 0.000 0.452 335 N N 0.158 118.798 118.700 -0.100 0.000 2.453 335 N HA -0.069 4.672 4.740 0.001 0.000 0.183 335 N C 1.230 176.770 175.510 0.050 0.000 1.041 335 N CA 0.957 54.001 53.050 -0.010 0.000 0.900 335 N CB 0.067 38.589 38.487 0.058 0.000 0.961 335 N HN 0.135 nan 8.380 nan 0.000 0.443 336 A N -0.120 122.627 122.820 -0.121 0.000 2.095 336 A HA 0.369 4.690 4.320 0.001 0.000 0.212 336 A C 1.930 179.546 177.584 0.054 0.000 1.162 336 A CA 0.766 52.835 52.037 0.054 0.000 0.753 336 A CB -0.051 18.917 19.000 -0.054 0.000 0.840 336 A HN 0.196 nan 8.150 nan 0.000 0.468 337 A N -1.471 121.351 122.820 0.004 0.000 2.238 337 A HA 0.430 4.751 4.320 0.001 0.000 0.208 337 A C 1.676 179.277 177.584 0.029 0.000 1.177 337 A CA 1.177 53.223 52.037 0.016 0.000 0.804 337 A CB -0.759 18.240 19.000 -0.003 0.000 0.823 337 A HN 1.702 nan 8.150 nan 0.000 0.482 338 G N -0.783 108.044 108.800 0.044 0.000 2.195 338 G HA2 -0.229 3.731 3.960 0.001 0.000 0.224 338 G HA3 -0.229 3.731 3.960 0.001 0.000 0.224 338 G C 0.477 175.400 174.900 0.039 0.000 0.990 338 G CA 0.404 45.532 45.100 0.046 0.000 0.639 338 G HN 0.557 nan 8.290 nan 0.000 0.514 339 K N -0.008 120.410 120.400 0.031 0.000 2.386 339 K HA 0.493 4.814 4.320 0.001 0.000 0.249 339 K C -0.694 175.928 176.600 0.038 0.000 1.055 339 K CA -0.002 56.302 56.287 0.028 0.000 0.930 339 K CB 0.318 32.829 32.500 0.018 0.000 1.230 339 K HN 0.084 nan 8.250 nan 0.000 0.507 340 D N 0.181 120.603 120.400 0.035 0.000 2.375 340 D HA 0.229 4.870 4.640 0.001 0.000 0.259 340 D C -1.515 174.810 176.300 0.043 0.000 1.235 340 D CA -0.115 53.910 54.000 0.042 0.000 0.924 340 D CB 0.750 41.571 40.800 0.035 0.000 1.143 340 D HN 0.296 nan 8.370 nan 0.000 0.529 341 S N 1.032 116.764 115.700 0.054 0.000 2.600 341 S HA 1.002 5.473 4.470 0.001 0.000 0.300 341 S C -0.965 173.684 174.600 0.081 0.000 1.087 341 S CA -0.755 57.484 58.200 0.065 0.000 0.965 341 S CB 1.893 65.134 63.200 0.068 0.000 1.089 341 S HN 0.569 nan 8.310 nan 0.000 0.496 342 A N 1.113 123.983 122.820 0.084 0.000 2.547 342 A HA 0.673 4.994 4.320 0.001 0.000 0.297 342 A C -1.574 176.064 177.584 0.090 0.000 1.056 342 A CA -0.637 51.453 52.037 0.089 0.000 0.688 342 A CB 0.709 19.728 19.000 0.032 0.000 1.282 342 A HN 0.691 nan 8.150 nan 0.000 0.400 343 F N 2.247 122.215 119.950 0.031 0.000 2.439 343 F HA 0.472 4.999 4.527 0.001 0.000 0.356 343 F C 0.175 175.884 175.800 -0.151 0.000 1.161 343 F CA 0.073 58.107 58.000 0.058 0.000 1.151 343 F CB 0.514 39.587 39.000 0.121 0.000 1.222 343 F HN 0.552 nan 8.300 nan 0.000 0.558 344 D N 5.159 125.163 120.400 -0.661 0.000 2.772 344 D HA 0.208 4.849 4.640 0.001 0.000 0.326 344 D C -1.360 174.423 176.300 -0.862 0.000 1.207 344 D CA -0.037 53.657 54.000 -0.510 0.000 0.777 344 D CB -0.126 40.424 40.800 -0.417 0.000 1.169 344 D HN 0.336 nan 8.370 nan 0.000 0.506 348 V N 4.209 124.240 119.914 0.195 0.000 2.357 348 V HA 0.508 4.629 4.120 0.001 0.000 0.284 348 V C -1.843 174.369 176.094 0.197 0.000 1.018 348 V CA -1.143 61.306 62.300 0.249 0.000 0.841 348 V CB 1.469 33.480 31.823 0.314 0.000 0.991 348 V HN 0.541 nan 8.190 nan 0.000 0.437 349 P HA 0.528 nan 4.420 nan 0.000 0.281 349 P C -0.856 176.588 177.300 0.239 0.000 1.264 349 P CA -0.443 62.714 63.100 0.095 0.000 0.824 349 P CB 1.769 33.437 31.700 -0.054 0.000 1.092 350 S N -0.562 115.269 115.700 0.219 0.000 2.541 350 S HA 0.671 5.142 4.470 0.001 0.000 0.280 350 S C -0.728 174.058 174.600 0.309 0.000 1.112 350 S CA -0.677 57.718 58.200 0.324 0.000 0.925 350 S CB 1.194 64.612 63.200 0.364 0.000 1.067 350 S HN 0.242 nan 8.310 nan 0.000 0.479 351 V N 1.721 121.798 119.914 0.272 0.000 2.876 351 V HA 0.636 4.756 4.120 0.001 0.000 0.312 351 V C -0.851 175.343 176.094 0.165 0.000 1.085 351 V CA -0.775 61.605 62.300 0.133 0.000 0.945 351 V CB 2.121 33.818 31.823 -0.210 0.000 1.017 351 V HN 0.855 nan 8.190 nan 0.000 0.428 352 V N 3.740 123.739 119.914 0.142 0.000 2.378 352 V HA 0.308 4.428 4.120 0.001 0.000 0.288 352 V C -0.457 175.663 176.094 0.044 0.000 1.016 352 V CA -0.440 61.964 62.300 0.173 0.000 0.840 352 V CB 1.207 33.137 31.823 0.178 0.000 0.994 352 V HN 0.855 nan 8.190 nan 0.000 0.431 353 Y N 2.614 122.989 120.300 0.126 0.000 2.487 353 Y HA 0.076 4.627 4.550 0.001 0.000 0.339 353 Y C 1.779 177.736 175.900 0.094 0.000 1.191 353 Y CA -0.292 57.872 58.100 0.106 0.000 1.279 353 Y CB -0.844 37.671 38.460 0.093 0.000 1.122 353 Y HN 0.738 nan 8.280 nan 0.000 0.500 354 T N -3.142 111.511 114.554 0.166 0.000 2.732 354 T HA 0.421 4.771 4.350 0.001 0.000 0.287 354 T C 0.297 175.051 174.700 0.090 0.000 0.993 354 T CA -0.897 61.274 62.100 0.119 0.000 0.966 354 T CB 1.235 70.159 68.868 0.093 0.000 1.047 354 T HN 0.061 nan 8.240 nan 0.000 0.527 355 S N 2.852 118.586 115.700 0.056 0.000 2.669 355 S HA 0.452 4.922 4.470 0.001 0.000 0.315 355 S C -2.423 172.195 174.600 0.030 0.000 1.106 355 S CA -0.993 57.233 58.200 0.043 0.000 1.107 355 S CB 1.115 64.331 63.200 0.027 0.000 0.990 355 S HN 0.695 nan 8.310 nan 0.000 0.471 356 P HA 0.190 nan 4.420 nan 0.000 0.272 356 P C -0.455 176.893 177.300 0.081 0.000 1.230 356 P CA -0.380 62.759 63.100 0.065 0.000 0.788 356 P CB 0.806 32.548 31.700 0.071 0.000 0.949 357 E N 0.028 120.265 120.200 0.062 0.000 2.312 357 E HA 0.303 4.654 4.350 0.001 0.000 0.259 357 E C -0.934 175.744 176.600 0.129 0.000 1.122 357 E CA -0.281 56.153 56.400 0.057 0.000 0.922 357 E CB 0.912 30.584 29.700 -0.047 0.000 1.109 357 E HN 0.494 nan 8.360 nan 0.000 0.442 358 W N 0.046 121.314 121.300 -0.054 0.000 2.915 358 W HA 0.568 5.228 4.660 0.001 0.000 0.337 358 W C -1.711 174.788 176.519 -0.033 0.000 1.102 358 W CA -0.361 56.977 57.345 -0.011 0.000 1.224 358 W CB 1.613 31.086 29.460 0.021 0.000 1.416 358 W HN 0.540 nan 8.180 nan 0.000 0.503 359 A N 3.335 125.728 122.820 -0.711 0.000 2.547 359 A HA 0.870 5.190 4.320 0.001 0.000 0.297 359 A C -0.972 175.958 177.584 -1.091 0.000 1.056 359 A CA -0.332 51.328 52.037 -0.628 0.000 0.688 359 A CB 1.298 20.097 19.000 -0.336 0.000 1.282 359 A HN 1.272 nan 8.150 nan 0.000 0.400 360 G N -0.707 107.667 108.800 -0.710 0.000 2.706 360 G HA2 0.733 4.693 3.960 0.001 0.000 0.297 360 G HA3 0.733 4.693 3.960 0.001 0.000 0.297 360 G C -1.863 172.829 174.900 -0.347 0.000 1.403 360 G CA -0.300 44.432 45.100 -0.613 0.000 0.954 360 G HN 1.851 nan 8.290 nan 0.000 0.500 361 V N 0.748 120.329 119.914 -0.556 0.000 2.969 361 V HA 0.871 4.991 4.120 0.001 0.000 0.304 361 V C 0.566 176.468 176.094 -0.321 0.000 1.192 361 V CA 1.385 63.516 62.300 -0.281 0.000 0.962 361 V CB 1.470 33.165 31.823 -0.214 0.000 1.045 361 V HN 2.751 nan 8.190 nan 0.000 0.428 362 G N 4.758 113.493 108.800 -0.108 0.000 2.508 362 G HA2 -0.114 3.847 3.960 0.001 0.000 0.220 362 G HA3 -0.114 3.847 3.960 0.001 0.000 0.220 362 G C -0.922 174.022 174.900 0.074 0.000 1.287 362 G CA -0.204 44.863 45.100 -0.055 0.000 0.916 362 G HN 1.235 nan 8.290 nan 0.000 0.574 363 L N 1.653 122.937 121.223 0.102 0.000 2.312 363 L HA 0.554 4.895 4.340 0.001 0.000 0.281 363 L C 1.575 178.679 176.870 0.389 0.000 1.070 363 L CA -0.251 54.713 54.840 0.208 0.000 0.805 363 L CB 1.477 43.607 42.059 0.118 0.000 1.174 363 L HN 1.008 nan 8.230 nan 0.000 0.434 364 T N -2.005 112.758 114.554 0.349 0.000 2.788 364 T HA 0.131 4.481 4.350 0.001 0.000 0.287 364 T C 0.943 175.711 174.700 0.113 0.000 1.007 364 T CA -0.644 61.542 62.100 0.144 0.000 1.005 364 T CB 1.030 69.869 68.868 -0.047 0.000 1.012 364 T HN 0.657 nan 8.240 nan 0.000 0.530 365 E N 0.342 120.565 120.200 0.038 0.000 2.097 365 E HA -0.190 4.161 4.350 0.001 0.000 0.196 365 E C 2.170 178.809 176.600 0.066 0.000 1.000 365 E CA 1.238 57.676 56.400 0.063 0.000 0.804 365 E CB -0.023 29.696 29.700 0.032 0.000 0.740 365 E HN 0.616 nan 8.360 nan 0.000 0.454 366 E N 1.075 121.299 120.200 0.040 0.000 2.031 366 E HA -0.191 4.159 4.350 0.001 0.000 0.193 366 E C 1.990 178.635 176.600 0.075 0.000 0.994 366 E CA 1.096 57.525 56.400 0.048 0.000 0.800 366 E CB -0.218 29.498 29.700 0.027 0.000 0.752 366 E HN 0.380 nan 8.360 nan 0.000 0.447 367 E N 0.796 121.049 120.200 0.089 0.000 2.085 367 E HA -0.180 4.170 4.350 0.001 0.000 0.194 367 E C 2.050 178.743 176.600 0.155 0.000 0.994 367 E CA 1.139 57.607 56.400 0.112 0.000 0.801 367 E CB -0.170 29.605 29.700 0.124 0.000 0.743 367 E HN 0.219 nan 8.360 nan 0.000 0.453 368 A N 1.755 124.679 122.820 0.174 0.000 1.865 368 A HA -0.273 4.048 4.320 0.001 0.000 0.217 368 A C 1.990 179.748 177.584 0.291 0.000 1.191 368 A CA 1.819 54.015 52.037 0.265 0.000 0.623 368 A CB -0.388 18.708 19.000 0.159 0.000 0.826 368 A HN 0.062 nan 8.150 nan 0.000 0.444 369 K N -0.934 119.570 120.400 0.173 0.000 2.009 369 K HA -0.200 4.121 4.320 0.001 0.000 0.210 369 K C 2.363 179.016 176.600 0.088 0.000 1.049 369 K CA 1.757 58.118 56.287 0.123 0.000 0.929 369 K CB -0.227 32.322 32.500 0.082 0.000 0.714 369 K HN 0.464 nan 8.250 nan 0.000 0.440 370 R N 1.048 121.595 120.500 0.079 0.000 2.117 370 R HA -0.158 4.182 4.340 0.001 0.000 0.243 370 R C 1.879 178.199 176.300 0.034 0.000 1.143 370 R CA 1.685 57.816 56.100 0.051 0.000 0.968 370 R CB -0.312 30.020 30.300 0.053 0.000 0.863 370 R HN 0.229 nan 8.270 nan 0.000 0.444 371 A N -0.878 121.979 122.820 0.061 0.000 2.239 371 A HA 0.214 4.534 4.320 0.001 0.000 0.209 371 A C 1.464 178.939 177.584 -0.183 0.000 1.171 371 A CA 0.807 52.837 52.037 -0.011 0.000 0.768 371 A CB -0.374 18.689 19.000 0.106 0.000 0.790 371 A HN 0.672 nan 8.150 nan 0.000 0.478 372 G N -2.746 105.982 108.800 -0.119 0.000 2.159 372 G HA2 -0.249 3.711 3.960 0.001 0.000 0.227 372 G HA3 -0.249 3.711 3.960 0.001 0.000 0.227 372 G C -0.040 174.745 174.900 -0.191 0.000 0.986 372 G CA 0.043 45.044 45.100 -0.165 0.000 0.651 372 G HN 0.431 nan 8.290 nan 0.000 0.523 373 Y N 0.618 120.941 120.300 0.039 0.000 2.309 373 Y HA 0.503 5.054 4.550 0.001 0.000 0.327 373 Y C 1.088 177.016 175.900 0.047 0.000 1.172 373 Y CA 0.375 58.503 58.100 0.046 0.000 1.280 373 Y CB 0.850 39.344 38.460 0.057 0.000 1.234 373 Y HN 0.275 nan 8.280 nan 0.000 0.512 374 K N 3.371 123.902 120.400 0.218 0.000 2.142 374 K HA 0.444 4.765 4.320 0.001 0.000 0.250 374 K C -0.459 176.232 176.600 0.151 0.000 1.148 374 K CA -0.380 55.989 56.287 0.138 0.000 1.040 374 K CB -0.982 31.581 32.500 0.105 0.000 1.569 374 K HN 0.582 nan 8.250 nan 0.000 0.361 375 V N 2.078 122.078 119.914 0.144 0.000 2.763 375 V HA 0.234 4.354 4.120 0.001 0.000 0.306 375 V C 0.510 176.654 176.094 0.083 0.000 1.059 375 V CA 0.061 62.438 62.300 0.128 0.000 1.138 375 V CB 0.894 32.785 31.823 0.114 0.000 0.940 375 V HN 0.865 nan 8.190 nan 0.000 0.489 376 K N 3.011 123.475 120.400 0.106 0.000 2.542 376 K HA 0.690 5.011 4.320 0.001 0.000 0.259 376 K C -1.394 175.277 176.600 0.120 0.000 0.932 376 K CA -0.614 55.669 56.287 -0.006 0.000 0.820 376 K CB 2.376 34.747 32.500 -0.215 0.000 1.345 376 K HN 0.608 nan 8.250 nan 0.000 0.432 377 V N -0.741 119.197 119.914 0.040 0.000 3.074 377 V HA 0.975 5.095 4.120 0.001 0.000 0.314 377 V C -0.475 175.705 176.094 0.143 0.000 1.117 377 V CA -0.481 61.919 62.300 0.167 0.000 1.014 377 V CB 1.811 33.703 31.823 0.115 0.000 1.057 377 V HN 0.810 nan 8.190 nan 0.000 0.438 378 G N 1.191 110.122 108.800 0.219 0.000 2.617 378 G HA2 0.718 4.679 3.960 0.001 0.000 0.306 378 G HA3 0.718 4.679 3.960 0.001 0.000 0.306 378 G C -1.310 173.670 174.900 0.134 0.000 1.360 378 G CA -0.945 44.259 45.100 0.175 0.000 0.983 378 G HN 0.839 nan 8.290 nan 0.000 0.496 379 K N 0.756 121.229 120.400 0.122 0.000 2.427 379 K HA 0.520 4.840 4.320 0.001 0.000 0.252 379 K C -2.001 174.704 176.600 0.175 0.000 0.931 379 K CA -0.733 55.626 56.287 0.120 0.000 0.793 379 K CB 2.955 35.496 32.500 0.068 0.000 1.211 379 K HN 0.372 nan 8.250 nan 0.000 0.426 380 F N 4.763 124.726 119.950 0.022 0.000 2.536 380 F HA 0.369 4.897 4.527 0.001 0.000 0.322 380 F C -2.521 173.291 175.800 0.021 0.000 1.144 380 F CA -2.170 55.843 58.000 0.022 0.000 0.924 380 F CB 1.705 40.715 39.000 0.015 0.000 1.181 380 F HN 0.303 nan 8.300 nan 0.000 0.438 381 P HA 0.197 nan 4.420 nan 0.000 0.286 381 P C 0.568 177.636 177.300 -0.388 0.000 1.269 381 P CA -0.214 62.666 63.100 -0.366 0.000 0.787 381 P CB 1.913 33.427 31.700 -0.311 0.000 0.920 382 L N 2.678 123.837 121.223 -0.107 0.000 2.265 382 L HA -0.172 4.168 4.340 0.001 0.000 0.215 382 L C 2.501 179.346 176.870 -0.041 0.000 1.117 382 L CA 1.392 56.229 54.840 -0.005 0.000 0.782 382 L CB -0.708 41.374 42.059 0.037 0.000 0.914 382 L HN 0.419 nan 8.230 nan 0.000 0.441 383 A N 0.207 122.973 122.820 -0.090 0.000 1.986 383 A HA -0.180 4.140 4.320 0.001 0.000 0.220 383 A C 2.212 179.749 177.584 -0.078 0.000 1.171 383 A CA 1.786 53.782 52.037 -0.068 0.000 0.640 383 A CB -0.430 18.524 19.000 -0.077 0.000 0.811 383 A HN 0.409 nan 8.150 nan 0.000 0.451 384 A N -0.881 121.840 122.820 -0.165 0.000 2.337 384 A HA 0.425 4.745 4.320 0.001 0.000 0.227 384 A C 1.058 178.684 177.584 0.070 0.000 1.259 384 A CA 0.617 52.590 52.037 -0.107 0.000 0.870 384 A CB -0.382 18.462 19.000 -0.260 0.000 0.927 384 A HN 0.388 nan 8.150 nan 0.000 0.497 385 S N -0.337 115.422 115.700 0.097 0.000 2.430 385 S HA 0.443 4.913 4.470 0.001 0.000 0.289 385 S C 1.496 176.125 174.600 0.048 0.000 1.143 385 S CA 0.010 58.307 58.200 0.162 0.000 1.067 385 S CB 0.922 64.236 63.200 0.191 0.000 0.964 385 S HN 0.483 nan 8.310 nan 0.000 0.485 386 G N 4.812 113.615 108.800 0.006 0.000 2.440 386 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 386 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 386 G C 1.515 176.389 174.900 -0.043 0.000 1.154 386 G CA 0.787 45.871 45.100 -0.027 0.000 0.767 386 G HN 0.654 nan 8.290 nan 0.000 0.552 387 R N 1.275 121.739 120.500 -0.060 0.000 2.073 387 R HA 0.120 4.460 4.340 0.001 0.000 0.234 387 R C 2.801 179.094 176.300 -0.012 0.000 1.134 387 R CA 1.845 57.910 56.100 -0.059 0.000 0.952 387 R CB -1.133 29.129 30.300 -0.065 0.000 0.850 387 R HN 0.228 nan 8.270 nan 0.000 0.433 388 A N 0.562 123.391 122.820 0.016 0.000 1.948 388 A HA -0.165 4.156 4.320 0.001 0.000 0.220 388 A C 2.105 179.713 177.584 0.040 0.000 1.177 388 A CA 1.683 53.740 52.037 0.034 0.000 0.636 388 A CB -0.765 18.263 19.000 0.047 0.000 0.815 388 A HN 0.368 nan 8.150 nan 0.000 0.449 389 L N 0.399 121.639 121.223 0.030 0.000 2.056 389 L HA -0.112 4.229 4.340 0.001 0.000 0.207 389 L C 2.769 179.663 176.870 0.040 0.000 1.078 389 L CA 2.765 57.627 54.840 0.036 0.000 0.749 389 L CB -0.864 41.209 42.059 0.023 0.000 0.901 389 L HN 0.591 nan 8.230 nan 0.000 0.433 390 T N -3.375 111.187 114.554 0.013 0.000 3.007 390 T HA -0.126 4.225 4.350 0.001 0.000 0.270 390 T C 1.668 176.378 174.700 0.017 0.000 1.107 390 T CA 1.041 63.141 62.100 -0.001 0.000 1.118 390 T CB -0.566 68.282 68.868 -0.033 0.000 0.889 390 T HN 0.358 nan 8.240 nan 0.000 0.506 391 L N 0.741 121.991 121.223 0.045 0.000 2.612 391 L HA 0.377 4.717 4.340 0.001 0.000 0.230 391 L C 1.758 178.742 176.870 0.191 0.000 1.140 391 L CA 0.289 55.178 54.840 0.081 0.000 0.896 391 L CB -0.518 41.569 42.059 0.046 0.000 1.065 391 L HN 0.589 nan 8.230 nan 0.000 0.447 392 G N 0.109 109.021 108.800 0.187 0.000 2.149 392 G HA2 -0.037 3.924 3.960 0.001 0.000 0.235 392 G HA3 -0.037 3.924 3.960 0.001 0.000 0.235 392 G C 0.354 175.358 174.900 0.173 0.000 1.018 392 G CA -0.152 45.093 45.100 0.242 0.000 0.728 392 G HN 0.770 nan 8.290 nan 0.000 0.508 393 G N -1.969 106.904 108.800 0.121 0.000 2.306 393 G HA2 0.650 4.610 3.960 0.001 0.000 0.340 393 G HA3 0.650 4.610 3.960 0.001 0.000 0.340 393 G C -0.502 174.443 174.900 0.076 0.000 1.630 393 G CA 0.775 45.931 45.100 0.093 0.000 0.937 393 G HN 2.110 nan 8.290 nan 0.000 0.693 394 A N 0.328 123.181 122.820 0.054 0.000 3.030 394 A HA 0.866 5.187 4.320 0.001 0.000 0.335 394 A C 0.161 177.765 177.584 0.034 0.000 1.089 394 A CA 0.929 52.992 52.037 0.043 0.000 0.807 394 A CB 0.202 19.220 19.000 0.030 0.000 1.099 394 A HN 2.048 nan 8.150 nan 0.000 0.474 395 E N 0.440 120.667 120.200 0.045 0.000 2.081 395 E HA 0.670 5.021 4.350 0.001 0.000 0.276 395 E C 0.371 176.996 176.600 0.042 0.000 0.950 395 E CA -0.043 56.381 56.400 0.040 0.000 0.776 395 E CB 0.965 30.695 29.700 0.051 0.000 1.094 395 E HN 2.347 nan 8.360 nan 0.000 0.402 396 G N 0.350 109.168 108.800 0.031 0.000 2.350 396 G HA2 0.533 4.494 3.960 0.001 0.000 0.282 396 G HA3 0.533 4.494 3.960 0.001 0.000 0.282 396 G C -0.391 174.525 174.900 0.026 0.000 1.314 396 G CA -0.057 45.066 45.100 0.038 0.000 0.915 396 G HN 1.740 nan 8.290 nan 0.000 0.499 397 M N -2.008 117.614 119.600 0.038 0.000 2.790 397 M HA 0.739 5.220 4.480 0.001 0.000 0.272 397 M C -2.023 174.311 176.300 0.057 0.000 1.168 397 M CA -1.026 54.300 55.300 0.044 0.000 0.829 397 M CB 1.799 34.416 32.600 0.029 0.000 1.675 397 M HN 0.908 nan 8.290 nan 0.000 0.505 398 V N 1.972 121.943 119.914 0.095 0.000 2.540 398 V HA 0.647 4.768 4.120 0.001 0.000 0.302 398 V C -0.854 175.294 176.094 0.090 0.000 1.035 398 V CA -0.485 61.858 62.300 0.071 0.000 0.873 398 V CB 1.891 33.758 31.823 0.073 0.000 0.992 398 V HN 0.789 nan 8.190 nan 0.000 0.428 399 K N 4.502 124.951 120.400 0.082 0.000 2.413 399 K HA 0.713 5.034 4.320 0.001 0.000 0.257 399 K C -1.137 175.530 176.600 0.112 0.000 0.946 399 K CA -0.498 55.860 56.287 0.117 0.000 0.823 399 K CB 2.074 34.665 32.500 0.151 0.000 1.109 399 K HN 0.588 nan 8.250 nan 0.000 0.427 400 V N 1.019 120.986 119.914 0.089 0.000 2.483 400 V HA 0.594 4.715 4.120 0.001 0.000 0.295 400 V C -0.480 175.678 176.094 0.106 0.000 1.035 400 V CA -0.851 61.470 62.300 0.036 0.000 0.896 400 V CB 1.540 33.331 31.823 -0.054 0.000 0.986 400 V HN 0.392 nan 8.190 nan 0.000 0.447 401 V N 4.388 124.350 119.914 0.079 0.000 2.357 401 V HA 0.884 5.005 4.120 0.001 0.000 0.284 401 V C 0.767 176.880 176.094 0.032 0.000 1.018 401 V CA 0.514 62.887 62.300 0.121 0.000 0.841 401 V CB 0.854 32.779 31.823 0.170 0.000 0.991 401 V HN 1.310 nan 8.190 nan 0.000 0.437 402 G N 2.358 111.242 108.800 0.140 0.000 2.730 402 G HA2 0.511 4.472 3.960 0.001 0.000 0.289 402 G HA3 0.511 4.472 3.960 0.001 0.000 0.289 402 G C -1.664 173.347 174.900 0.184 0.000 1.341 402 G CA -0.436 44.691 45.100 0.044 0.000 0.932 402 G HN 0.506 nan 8.290 nan 0.000 0.481 403 D N -0.095 120.372 120.400 0.111 0.000 2.359 403 D HA 0.100 4.740 4.640 0.001 0.000 0.230 403 D C 1.371 177.835 176.300 0.274 0.000 1.118 403 D CA -0.405 53.698 54.000 0.172 0.000 0.844 403 D CB 1.506 42.385 40.800 0.133 0.000 1.059 403 D HN 0.618 nan 8.370 nan 0.000 0.493 404 E N 2.437 122.788 120.200 0.251 0.000 2.409 404 E HA -0.149 4.202 4.350 0.001 0.000 0.198 404 E C 0.596 177.301 176.600 0.176 0.000 1.024 404 E CA 0.979 57.510 56.400 0.218 0.000 0.861 404 E CB 0.158 29.890 29.700 0.053 0.000 0.788 404 E HN 0.530 nan 8.360 nan 0.000 0.521 405 E N 0.436 120.729 120.200 0.154 0.000 2.140 405 E HA -0.059 4.291 4.350 0.001 0.000 0.191 405 E C 1.875 178.546 176.600 0.119 0.000 0.973 405 E CA 1.518 57.990 56.400 0.119 0.000 0.829 405 E CB 0.322 30.083 29.700 0.102 0.000 0.781 405 E HN 0.458 nan 8.360 nan 0.000 0.466 406 T N -2.336 112.298 114.554 0.132 0.000 3.022 406 T HA 0.069 4.419 4.350 0.001 0.000 0.250 406 T C 0.610 175.370 174.700 0.099 0.000 1.060 406 T CA 0.559 62.722 62.100 0.105 0.000 1.013 406 T CB 0.312 69.241 68.868 0.102 0.000 0.982 406 T HN 0.039 nan 8.240 nan 0.000 0.508 407 D N -0.736 119.749 120.400 0.142 0.000 3.028 407 D HA -0.142 4.499 4.640 0.001 0.000 0.207 407 D C -0.285 176.000 176.300 -0.025 0.000 1.100 407 D CA 0.465 54.544 54.000 0.131 0.000 0.995 407 D CB -1.733 39.161 40.800 0.156 0.000 1.108 407 D HN 0.516 nan 8.370 nan 0.000 0.421 408 L N 0.703 121.914 121.223 -0.020 0.000 2.416 408 L HA 0.397 4.737 4.340 0.001 0.000 0.272 408 L C -0.073 176.698 176.870 -0.164 0.000 1.161 408 L CA -0.245 54.547 54.840 -0.079 0.000 0.845 408 L CB 0.585 42.616 42.059 -0.047 0.000 1.119 408 L HN 0.215 nan 8.230 nan 0.000 0.464 409 L N 5.403 126.517 121.223 -0.183 0.000 2.416 409 L HA 0.199 4.540 4.340 0.001 0.000 0.272 409 L C 0.303 177.059 176.870 -0.190 0.000 1.161 409 L CA 0.728 55.441 54.840 -0.212 0.000 0.845 409 L CB 0.564 42.511 42.059 -0.187 0.000 1.119 409 L HN 0.787 nan 8.230 nan 0.000 0.464 410 L N 3.832 124.942 121.223 -0.189 0.000 2.730 410 L HA 0.527 4.867 4.340 0.001 0.000 0.236 410 L C 0.778 177.575 176.870 -0.122 0.000 1.061 410 L CA 0.274 54.997 54.840 -0.195 0.000 0.898 410 L CB 0.333 42.227 42.059 -0.275 0.000 1.270 410 L HN 0.771 nan 8.230 nan 0.000 0.500 411 G N -0.387 108.349 108.800 -0.107 0.000 2.673 411 G HA2 0.573 4.533 3.960 0.001 0.000 0.292 411 G HA3 0.573 4.533 3.960 0.001 0.000 0.292 411 G C -2.013 172.736 174.900 -0.252 0.000 1.450 411 G CA -0.323 44.679 45.100 -0.162 0.000 0.837 411 G HN -0.281 nan 8.290 nan 0.000 0.505 412 V N 0.210 119.762 119.914 -0.603 0.000 2.851 412 V HA 0.719 4.839 4.120 0.001 0.000 0.307 412 V C -1.415 174.095 176.094 -0.973 0.000 1.129 412 V CA -0.687 61.308 62.300 -0.508 0.000 0.932 412 V CB 1.744 33.367 31.823 -0.332 0.000 1.024 412 V HN 0.665 nan 8.190 nan 0.000 0.426 413 F N 4.306 124.149 119.950 -0.177 0.000 2.556 413 F HA 0.770 5.298 4.527 0.001 0.000 0.314 413 F C -0.196 175.413 175.800 -0.317 0.000 1.106 413 F CA -0.593 57.216 58.000 -0.320 0.000 0.911 413 F CB 1.935 40.812 39.000 -0.205 0.000 1.190 413 F HN 0.202 nan 8.300 nan 0.000 0.448 414 I N 2.955 123.308 120.570 -0.361 0.000 2.686 414 I HA 0.636 4.806 4.170 0.001 0.000 0.295 414 I C -1.452 174.495 176.117 -0.284 0.000 1.114 414 I CA -1.230 59.922 61.300 -0.247 0.000 1.038 414 I CB 2.503 40.380 38.000 -0.205 0.000 1.238 414 I HN 0.341 nan 8.210 nan 0.000 0.420 415 V N 4.458 124.319 119.914 -0.089 0.000 2.569 415 V HA 0.995 5.115 4.120 0.001 0.000 0.301 415 V C -0.342 175.768 176.094 0.027 0.000 1.044 415 V CA 0.397 62.706 62.300 0.015 0.000 0.874 415 V CB 1.270 33.167 31.823 0.124 0.000 1.002 415 V HN 1.076 nan 8.190 nan 0.000 0.424 416 G N 6.509 115.328 108.800 0.032 0.000 2.352 416 G HA2 0.272 4.232 3.960 0.001 0.000 0.302 416 G HA3 0.272 4.232 3.960 0.001 0.000 0.302 416 G C -3.492 171.421 174.900 0.021 0.000 1.370 416 G CA -0.326 44.793 45.100 0.033 0.000 0.918 416 G HN 0.677 nan 8.290 nan 0.000 0.610 417 P HA 0.173 nan 4.420 nan 0.000 0.268 417 P C -0.191 177.109 177.300 0.001 0.000 1.205 417 P CA 0.753 63.864 63.100 0.019 0.000 0.771 417 P CB 0.998 32.711 31.700 0.022 0.000 0.858 418 Q N 0.083 119.880 119.800 -0.004 0.000 2.481 418 Q HA -0.270 4.071 4.340 0.001 0.000 0.258 418 Q C 1.339 177.309 176.000 -0.051 0.000 0.961 418 Q CA 1.326 57.118 55.803 -0.019 0.000 1.121 418 Q CB -2.743 25.989 28.738 -0.009 0.000 1.503 418 Q HN 0.714 nan 8.270 nan 0.000 0.544 419 A N 0.115 122.893 122.820 -0.070 0.000 1.908 419 A HA -0.050 4.271 4.320 0.001 0.000 0.218 419 A C 2.209 179.705 177.584 -0.147 0.000 1.181 419 A CA 2.194 54.165 52.037 -0.110 0.000 0.627 419 A CB -0.854 18.073 19.000 -0.121 0.000 0.818 419 A HN 0.623 nan 8.150 nan 0.000 0.445 420 G N -0.652 108.041 108.800 -0.178 0.000 2.450 420 G HA2 -0.182 3.779 3.960 0.001 0.000 0.220 420 G HA3 -0.182 3.779 3.960 0.001 0.000 0.220 420 G C 1.362 176.191 174.900 -0.117 0.000 1.130 420 G CA 1.024 46.003 45.100 -0.202 0.000 0.760 420 G HN 0.537 nan 8.290 nan 0.000 0.557 421 E N 0.359 120.512 120.200 -0.078 0.000 2.112 421 E HA 0.059 4.409 4.350 0.001 0.000 0.190 421 E C 2.638 179.199 176.600 -0.064 0.000 0.979 421 E CA 0.231 56.600 56.400 -0.052 0.000 0.814 421 E CB -0.225 29.459 29.700 -0.027 0.000 0.762 421 E HN 0.459 nan 8.360 nan 0.000 0.460 422 L N 0.332 121.512 121.223 -0.072 0.000 2.291 422 L HA -0.038 4.303 4.340 0.001 0.000 0.214 422 L C 2.322 179.133 176.870 -0.098 0.000 1.120 422 L CA 0.184 54.983 54.840 -0.069 0.000 0.799 422 L CB -0.225 41.798 42.059 -0.061 0.000 0.925 422 L HN 0.040 nan 8.230 nan 0.000 0.446 423 I N 0.363 120.854 120.570 -0.131 0.000 2.830 423 I HA -0.128 4.043 4.170 0.001 0.000 0.263 423 I C 2.474 178.508 176.117 -0.138 0.000 1.230 423 I CA 0.798 62.000 61.300 -0.163 0.000 1.480 423 I CB -0.191 37.688 38.000 -0.202 0.000 1.095 423 I HN 0.110 nan 8.210 nan 0.000 0.455 424 A N -0.368 122.383 122.820 -0.114 0.000 1.930 424 A HA -0.239 4.081 4.320 0.001 0.000 0.217 424 A C 2.345 179.876 177.584 -0.090 0.000 1.175 424 A CA 1.742 53.718 52.037 -0.102 0.000 0.627 424 A CB -0.672 18.276 19.000 -0.087 0.000 0.815 424 A HN 0.543 nan 8.150 nan 0.000 0.443 425 E N 0.003 120.154 120.200 -0.081 0.000 2.058 425 E HA -0.166 4.185 4.350 0.001 0.000 0.194 425 E C 2.172 178.727 176.600 -0.076 0.000 0.997 425 E CA 1.105 57.463 56.400 -0.069 0.000 0.801 425 E CB -0.256 29.418 29.700 -0.044 0.000 0.746 425 E HN 0.534 nan 8.360 nan 0.000 0.450 426 A N 1.318 124.079 122.820 -0.097 0.000 1.883 426 A HA -0.146 4.175 4.320 0.001 0.000 0.217 426 A C 2.428 179.942 177.584 -0.116 0.000 1.186 426 A CA 2.033 53.997 52.037 -0.122 0.000 0.624 426 A CB -0.893 18.002 19.000 -0.174 0.000 0.822 426 A HN 0.428 nan 8.150 nan 0.000 0.444 427 A N -0.436 122.317 122.820 -0.112 0.000 1.883 427 A HA -0.094 4.227 4.320 0.001 0.000 0.217 427 A C 2.163 179.707 177.584 -0.067 0.000 1.186 427 A CA 1.864 53.849 52.037 -0.087 0.000 0.624 427 A CB -0.710 18.242 19.000 -0.081 0.000 0.822 427 A HN 0.837 nan 8.150 nan 0.000 0.444 428 L N -0.227 120.955 121.223 -0.068 0.000 2.046 428 L HA -0.081 4.259 4.340 0.001 0.000 0.208 428 L C 2.621 179.458 176.870 -0.055 0.000 1.077 428 L CA 2.265 57.071 54.840 -0.057 0.000 0.747 428 L CB -0.789 41.234 42.059 -0.060 0.000 0.896 428 L HN 0.346 nan 8.230 nan 0.000 0.432 429 A N -0.419 122.362 122.820 -0.065 0.000 1.908 429 A HA -0.177 4.144 4.320 0.001 0.000 0.218 429 A C 2.263 179.807 177.584 -0.066 0.000 1.181 429 A CA 2.091 54.089 52.037 -0.065 0.000 0.627 429 A CB -0.912 18.042 19.000 -0.076 0.000 0.818 429 A HN 0.526 nan 8.150 nan 0.000 0.445 430 L N -0.754 120.426 121.223 -0.072 0.000 2.056 430 L HA -0.142 4.199 4.340 0.001 0.000 0.207 430 L C 2.591 179.436 176.870 -0.040 0.000 1.078 430 L CA 1.135 55.936 54.840 -0.065 0.000 0.749 430 L CB -0.563 41.454 42.059 -0.070 0.000 0.901 430 L HN 0.337 nan 8.230 nan 0.000 0.433 431 E N -0.102 120.080 120.200 -0.029 0.000 2.153 431 E HA -0.156 4.195 4.350 0.001 0.000 0.194 431 E C 2.019 178.610 176.600 -0.015 0.000 0.988 431 E CA 1.041 57.436 56.400 -0.008 0.000 0.811 431 E CB -0.061 29.643 29.700 0.007 0.000 0.746 431 E HN 0.408 nan 8.360 nan 0.000 0.466 432 M N -0.737 118.847 119.600 -0.026 0.000 2.561 432 M HA 0.130 4.611 4.480 0.001 0.000 0.238 432 M C 0.866 177.149 176.300 -0.027 0.000 1.131 432 M CA 0.450 55.735 55.300 -0.026 0.000 1.046 432 M CB -0.435 32.147 32.600 -0.031 0.000 1.532 432 M HN 0.128 nan 8.290 nan 0.000 0.497 433 G N 1.690 110.470 108.800 -0.032 0.000 2.295 433 G HA2 -0.166 3.794 3.960 0.001 0.000 0.287 433 G HA3 -0.166 3.794 3.960 0.001 0.000 0.287 433 G C 0.343 175.219 174.900 -0.039 0.000 1.055 433 G CA 0.297 45.377 45.100 -0.033 0.000 0.922 433 G HN 0.781 nan 8.290 nan 0.000 0.503 434 A N -0.159 122.630 122.820 -0.052 0.000 2.386 434 A HA 0.794 5.115 4.320 0.001 0.000 0.248 434 A C 1.051 178.590 177.584 -0.075 0.000 1.082 434 A CA 1.014 53.016 52.037 -0.057 0.000 0.789 434 A CB 0.394 19.357 19.000 -0.062 0.000 1.025 434 A HN 1.847 nan 8.150 nan 0.000 0.490 435 T N -0.530 113.984 114.554 -0.067 0.000 2.948 435 T HA 0.472 4.823 4.350 0.001 0.000 0.285 435 T C 1.054 175.678 174.700 -0.127 0.000 1.019 435 T CA -0.883 61.167 62.100 -0.084 0.000 1.013 435 T CB 0.603 69.454 68.868 -0.028 0.000 1.117 435 T HN 0.299 nan 8.240 nan 0.000 0.533 436 L N 0.685 121.771 121.223 -0.229 0.000 2.127 436 L HA -0.077 4.264 4.340 0.001 0.000 0.211 436 L C 2.787 179.625 176.870 -0.052 0.000 1.089 436 L CA 1.848 56.483 54.840 -0.342 0.000 0.757 436 L CB -1.930 39.556 42.059 -0.955 0.000 0.899 436 L HN 0.879 nan 8.230 nan 0.000 0.434 437 T N -0.728 113.895 114.554 0.115 0.000 2.788 437 T HA -0.153 4.198 4.350 0.001 0.000 0.268 437 T C 1.490 176.211 174.700 0.036 0.000 1.044 437 T CA 1.223 63.398 62.100 0.125 0.000 1.139 437 T CB -0.095 68.806 68.868 0.055 0.000 0.867 437 T HN 0.327 nan 8.240 nan 0.000 0.454 438 D N 0.992 121.394 120.400 0.003 0.000 2.117 438 D HA -0.058 4.582 4.640 0.001 0.000 0.197 438 D C 2.066 178.368 176.300 0.004 0.000 0.987 438 D CA 0.754 54.751 54.000 -0.006 0.000 0.829 438 D CB -0.335 40.453 40.800 -0.022 0.000 0.961 438 D HN 0.193 nan 8.370 nan 0.000 0.460 439 L N 1.004 122.219 121.223 -0.013 0.000 2.093 439 L HA -0.024 4.317 4.340 0.001 0.000 0.208 439 L C 2.147 179.035 176.870 0.030 0.000 1.085 439 L CA 1.493 56.340 54.840 0.010 0.000 0.755 439 L CB -0.689 41.337 42.059 -0.056 0.000 0.904 439 L HN -0.062 nan 8.230 nan 0.000 0.435 440 A N -1.094 121.723 122.820 -0.004 0.000 1.968 440 A HA -0.056 4.265 4.320 0.001 0.000 0.217 440 A C 2.155 179.749 177.584 0.018 0.000 1.169 440 A CA 1.327 53.358 52.037 -0.011 0.000 0.638 440 A CB -0.641 18.383 19.000 0.040 0.000 0.812 440 A HN 0.455 nan 8.150 nan 0.000 0.446 441 L N -0.044 121.199 121.223 0.033 0.000 2.554 441 L HA 0.018 4.359 4.340 0.001 0.000 0.226 441 L C 0.265 177.163 176.870 0.046 0.000 1.137 441 L CA 0.086 54.943 54.840 0.028 0.000 0.863 441 L CB -0.286 41.781 42.059 0.014 0.000 0.985 441 L HN 0.154 nan 8.230 nan 0.000 0.451 442 T N 0.781 115.389 114.554 0.091 0.000 2.814 442 T HA 0.157 4.508 4.350 0.001 0.000 0.297 442 T C 0.261 175.066 174.700 0.175 0.000 0.956 442 T CA -0.233 61.916 62.100 0.082 0.000 1.123 442 T CB 1.643 70.538 68.868 0.045 0.000 0.902 442 T HN -0.217 nan 8.240 nan 0.000 0.528 443 V N 6.001 125.956 119.914 0.068 0.000 2.381 443 V HA 0.103 4.224 4.120 0.001 0.000 0.257 443 V C 0.271 176.412 176.094 0.078 0.000 1.057 443 V CA -0.454 61.901 62.300 0.091 0.000 1.013 443 V CB -1.029 30.812 31.823 0.030 0.000 1.069 443 V HN 0.777 nan 8.190 nan 0.000 0.484 444 H N 6.077 125.137 119.070 -0.016 0.000 2.582 444 H HA 0.369 4.925 4.556 0.001 0.000 0.345 444 H C -1.907 173.431 175.328 0.017 0.000 1.104 444 H CA -1.764 54.277 56.048 -0.011 0.000 1.390 444 H CB 0.402 30.150 29.762 -0.024 0.000 1.461 444 H HN 0.449 nan 8.280 nan 0.000 0.551 445 P HA 0.033 nan 4.420 nan 0.000 0.269 445 P C -0.644 176.732 177.300 0.128 0.000 1.209 445 P CA 0.080 63.231 63.100 0.086 0.000 0.776 445 P CB 0.865 32.584 31.700 0.031 0.000 0.876 446 H N 2.517 121.607 119.070 0.032 0.000 2.529 446 H HA 0.514 5.070 4.556 0.001 0.000 0.348 446 H C -2.196 173.143 175.328 0.019 0.000 1.079 446 H CA -1.668 54.398 56.048 0.031 0.000 1.198 446 H CB 1.169 30.957 29.762 0.043 0.000 1.521 446 H HN 0.293 nan 8.280 nan 0.000 0.514 447 P HA 0.298 nan 4.420 nan 0.000 0.301 447 P C -1.327 175.830 177.300 -0.237 0.000 1.338 447 P CA -0.577 62.109 63.100 -0.689 0.000 0.834 447 P CB 1.716 32.971 31.700 -0.743 0.000 0.967 448 T N -1.151 113.328 114.554 -0.125 0.000 2.883 448 T HA 0.352 4.702 4.350 0.001 0.000 0.301 448 T C 1.087 175.779 174.700 -0.014 0.000 1.158 448 T CA -0.914 61.158 62.100 -0.046 0.000 1.007 448 T CB 0.889 69.753 68.868 -0.006 0.000 1.186 448 T HN 0.113 nan 8.240 nan 0.000 0.499 449 L N 1.355 122.576 121.223 -0.003 0.000 2.201 449 L HA -0.027 4.314 4.340 0.001 0.000 0.212 449 L C 3.024 179.903 176.870 0.014 0.000 1.105 449 L CA 1.449 56.298 54.840 0.014 0.000 0.775 449 L CB -0.629 41.436 42.059 0.010 0.000 0.913 449 L HN 0.952 nan 8.230 nan 0.000 0.440 450 S N -0.508 115.207 115.700 0.025 0.000 2.419 450 S HA -0.208 4.263 4.470 0.001 0.000 0.233 450 S C 1.636 176.253 174.600 0.028 0.000 1.016 450 S CA 1.029 59.265 58.200 0.060 0.000 0.974 450 S CB -0.333 62.937 63.200 0.118 0.000 0.786 450 S HN 0.487 nan 8.310 nan 0.000 0.492 451 E N 1.204 121.395 120.200 -0.015 0.000 2.267 451 E HA -0.076 4.274 4.350 0.001 0.000 0.197 451 E C 1.957 178.368 176.600 -0.316 0.000 0.998 451 E CA 1.112 57.420 56.400 -0.152 0.000 0.830 451 E CB -0.241 29.436 29.700 -0.038 0.000 0.751 451 E HN 0.616 nan 8.360 nan 0.000 0.491 452 S N 0.792 116.371 115.700 -0.201 0.000 2.419 452 S HA -0.109 4.362 4.470 0.001 0.000 0.233 452 S C 1.853 176.330 174.600 -0.205 0.000 1.016 452 S CA 0.575 58.654 58.200 -0.203 0.000 0.974 452 S CB -0.029 63.237 63.200 0.109 0.000 0.786 452 S HN 0.248 nan 8.310 nan 0.000 0.492 453 L N 0.750 121.855 121.223 -0.197 0.000 2.044 453 L HA -0.022 4.319 4.340 0.001 0.000 0.205 453 L C 2.513 179.206 176.870 -0.296 0.000 1.075 453 L CA 1.174 55.904 54.840 -0.182 0.000 0.747 453 L CB -0.305 41.693 42.059 -0.103 0.000 0.903 453 L HN 0.395 nan 8.230 nan 0.000 0.435 454 M N -0.387 118.874 119.600 -0.565 0.000 2.080 454 M HA -0.260 4.220 4.480 0.001 0.000 0.260 454 M C 1.987 178.077 176.300 -0.350 0.000 1.068 454 M CA 1.901 56.855 55.300 -0.577 0.000 1.109 454 M CB -0.140 31.927 32.600 -0.887 0.000 1.342 454 M HN 0.207 nan 8.290 nan 0.000 0.405 455 E N 0.165 120.101 120.200 -0.439 0.000 2.150 455 E HA -0.134 4.217 4.350 0.001 0.000 0.193 455 E C 1.979 178.464 176.600 -0.192 0.000 0.985 455 E CA 1.079 57.219 56.400 -0.433 0.000 0.814 455 E CB -0.184 28.897 29.700 -1.033 0.000 0.752 455 E HN 0.679 nan 8.360 nan 0.000 0.466 456 A N 1.611 124.354 122.820 -0.128 0.000 1.969 456 A HA -0.057 4.264 4.320 0.001 0.000 0.218 456 A C 2.382 179.980 177.584 0.024 0.000 1.169 456 A CA 1.529 53.600 52.037 0.056 0.000 0.635 456 A CB -0.381 18.656 19.000 0.061 0.000 0.810 456 A HN 0.273 nan 8.150 nan 0.000 0.445 457 A N -0.372 122.409 122.820 -0.064 0.000 1.929 457 A HA -0.097 4.224 4.320 0.001 0.000 0.216 457 A C 1.906 179.481 177.584 -0.014 0.000 1.176 457 A CA 1.457 53.436 52.037 -0.096 0.000 0.628 457 A CB -0.410 18.504 19.000 -0.142 0.000 0.816 457 A HN 0.602 nan 8.150 nan 0.000 0.444 458 E N -0.287 119.916 120.200 0.005 0.000 2.106 458 E HA -0.088 4.263 4.350 0.001 0.000 0.192 458 E C 2.191 178.856 176.600 0.109 0.000 0.984 458 E CA 0.830 57.272 56.400 0.070 0.000 0.806 458 E CB -0.209 29.492 29.700 0.002 0.000 0.750 458 E HN 0.617 nan 8.360 nan 0.000 0.458 459 A N 0.605 123.487 122.820 0.104 0.000 2.015 459 A HA -0.149 4.171 4.320 0.001 0.000 0.219 459 A C 1.862 179.509 177.584 0.105 0.000 1.163 459 A CA 0.623 52.732 52.037 0.120 0.000 0.646 459 A CB -0.594 18.501 19.000 0.158 0.000 0.806 459 A HN 0.364 nan 8.150 nan 0.000 0.448 460 F N 0.500 120.393 119.950 -0.094 0.000 2.171 460 F HA -0.174 4.354 4.527 0.001 0.000 0.300 460 F C 1.761 177.451 175.800 -0.184 0.000 1.090 460 F CA 2.021 59.911 58.000 -0.183 0.000 1.293 460 F CB -0.281 38.523 39.000 -0.327 0.000 1.013 460 F HN 0.428 nan 8.300 nan 0.000 0.486 461 H N 0.452 119.665 119.070 0.239 0.000 2.519 461 H HA 0.175 4.731 4.556 0.001 0.000 0.289 461 H C 0.068 175.417 175.328 0.036 0.000 1.040 461 H CA -0.246 55.873 56.048 0.118 0.000 1.165 461 H CB 0.041 29.903 29.762 0.167 0.000 1.462 461 H HN -0.117 nan 8.280 nan 0.000 0.555 462 K N 1.163 121.622 120.400 0.099 0.000 3.077 462 K HA -0.236 4.084 4.320 0.001 0.000 0.264 462 K C -0.097 176.546 176.600 0.072 0.000 1.008 462 K CA 0.989 57.313 56.287 0.061 0.000 0.740 462 K CB -1.796 30.721 32.500 0.027 0.000 1.273 462 K HN 0.802 nan 8.250 nan 0.000 0.477 463 Q N -2.028 117.827 119.800 0.090 0.000 2.141 463 Q HA 0.475 4.816 4.340 0.001 0.000 0.295 463 Q C -0.104 175.923 176.000 0.046 0.000 0.870 463 Q CA -0.134 55.706 55.803 0.062 0.000 1.096 463 Q CB 0.868 29.642 28.738 0.061 0.000 1.288 463 Q HN 0.242 nan 8.270 nan 0.000 0.418 464 A N 1.284 124.142 122.820 0.063 0.000 2.440 464 A HA 0.291 4.611 4.320 0.001 0.000 0.251 464 A C 0.961 178.565 177.584 0.033 0.000 1.089 464 A CA -0.384 51.689 52.037 0.060 0.000 0.779 464 A CB 0.164 19.261 19.000 0.162 0.000 1.022 464 A HN 0.475 nan 8.150 nan 0.000 0.492 465 I N 1.484 122.021 120.570 -0.055 0.000 2.277 465 I HA -0.114 4.057 4.170 0.001 0.000 0.243 465 I C 1.620 177.707 176.117 -0.051 0.000 1.094 465 I CA 1.659 62.887 61.300 -0.120 0.000 1.393 465 I CB -1.563 36.258 38.000 -0.297 0.000 1.078 465 I HN 0.844 nan 8.210 nan 0.000 0.417 466 H N 1.003 120.155 119.070 0.138 0.000 2.553 466 H HA 0.227 4.784 4.556 0.001 0.000 0.269 466 H C 0.487 175.928 175.328 0.188 0.000 1.011 466 H CA -0.049 56.113 56.048 0.189 0.000 1.150 466 H CB 0.045 29.979 29.762 0.287 0.000 1.339 466 H HN 0.352 nan 8.280 nan 0.000 0.604 467 I N -3.580 117.138 120.570 0.248 0.000 3.279 467 I HA 0.330 4.501 4.170 0.001 0.000 0.315 467 I C -1.346 174.825 176.117 0.090 0.000 1.225 467 I CA -1.482 59.899 61.300 0.136 0.000 0.947 467 I CB 2.152 40.207 38.000 0.091 0.000 1.293 467 I HN -0.203 nan 8.210 nan 0.000 0.468 468 L N 2.960 124.214 121.223 0.052 0.000 2.312 468 L HA 0.456 4.796 4.340 0.001 0.000 0.281 468 L C 0.109 177.001 176.870 0.037 0.000 1.070 468 L CA -0.512 54.351 54.840 0.039 0.000 0.805 468 L CB 0.687 42.761 42.059 0.024 0.000 1.174 468 L HN 0.583 nan 8.230 nan 0.000 0.434 469 N N 0.000 118.721 118.700 0.036 0.000 1.763 469 N HA 0.000 4.741 4.740 0.001 0.000 0.220 469 N CA 0.000 53.070 53.050 0.033 0.000 0.885 469 N CB 0.000 38.508 38.487 0.036 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667