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 2yxz_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRLKDLGERA LLARLAPLGY PPEAPLPPGD DAGGVWAEGR AWLLKTDGFL DATA SEQUENCE YREVALKGMG PFEVGFRGVA ATASDLLAKM GRPLGFTLGL FLPEDLEEGF DATA SEQUENCE VLELVRGAAE AAKRLGAFLL GGDTNRGVEV ALTVSGYALA EAPLPRKALP DATA SEQUENCE GDLLYLAGDR WGRTGAAIRA HYEGRSLEGF PKIREAAFYP LPRLELLALS DATA SEQUENCE GLLRGSLDSS DGLAETLWQL ADLGVGVEVE ALPLYPDVLA FAGSEEAALE DATA SEQUENCE LVLYGGEEFE AVLVVPQEGA AAVEARAKAK GLPLFRAGRV VAGEGVYLRG DATA SEQUENCE APLPR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.297 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 R N 2.302 122.799 120.500 -0.005 0.000 2.734 2 R HA 0.126 4.466 4.340 0.001 0.000 0.266 2 R C 0.768 177.065 176.300 -0.006 0.000 1.044 2 R CA -0.274 55.823 56.100 -0.005 0.000 1.128 2 R CB 0.164 30.460 30.300 -0.006 0.000 1.010 2 R HN 0.716 nan 8.270 nan 0.000 0.461 3 L N 3.709 124.929 121.223 -0.006 0.000 2.083 3 L HA -0.200 4.141 4.340 0.001 0.000 0.209 3 L C 2.718 179.584 176.870 -0.006 0.000 1.083 3 L CA 2.583 57.420 54.840 -0.005 0.000 0.752 3 L CB -0.963 41.093 42.059 -0.005 0.000 0.899 3 L HN 0.836 nan 8.230 nan 0.000 0.433 4 K N -0.949 119.447 120.400 -0.006 0.000 2.103 4 K HA -0.182 4.139 4.320 0.001 0.000 0.207 4 K C 1.762 178.356 176.600 -0.010 0.000 1.048 4 K CA 1.994 58.277 56.287 -0.007 0.000 0.930 4 K CB -0.896 31.600 32.500 -0.006 0.000 0.716 4 K HN 0.508 nan 8.250 nan 0.000 0.444 5 D N -0.240 120.154 120.400 -0.010 0.000 2.271 5 D HA 0.027 4.668 4.640 0.001 0.000 0.206 5 D C 1.870 178.162 176.300 -0.013 0.000 0.967 5 D CA 0.271 54.264 54.000 -0.012 0.000 0.867 5 D CB 0.198 40.991 40.800 -0.011 0.000 0.960 5 D HN 0.275 nan 8.370 nan 0.000 0.509 6 L N 0.545 121.762 121.223 -0.011 0.000 2.044 6 L HA 0.053 4.394 4.340 0.001 0.000 0.205 6 L C 0.788 177.650 176.870 -0.013 0.000 1.075 6 L CA 1.622 56.456 54.840 -0.011 0.000 0.747 6 L CB -0.361 41.694 42.059 -0.007 0.000 0.903 6 L HN 0.144 nan 8.230 nan 0.000 0.435 7 G N -2.535 106.258 108.800 -0.012 0.000 2.650 7 G HA2 -0.140 3.821 3.960 0.001 0.000 0.686 7 G HA3 -0.140 3.821 3.960 0.001 0.000 0.686 7 G C 0.242 175.137 174.900 -0.008 0.000 1.205 7 G CA 0.153 45.245 45.100 -0.013 0.000 0.781 7 G HN 0.368 nan 8.290 nan 0.000 0.648 8 E N 0.983 121.180 120.200 -0.005 0.000 2.047 8 E HA -0.096 4.255 4.350 0.001 0.000 0.191 8 E C 2.488 179.089 176.600 0.002 0.000 0.987 8 E CA 2.011 58.412 56.400 0.002 0.000 0.799 8 E CB -0.396 29.308 29.700 0.007 0.000 0.752 8 E HN 0.799 nan 8.360 nan 0.000 0.449 9 R N -0.182 120.315 120.500 -0.004 0.000 2.080 9 R HA -0.053 4.288 4.340 0.001 0.000 0.236 9 R C 2.824 179.122 176.300 -0.004 0.000 1.137 9 R CA 1.400 57.498 56.100 -0.003 0.000 0.943 9 R CB -0.606 29.687 30.300 -0.011 0.000 0.846 9 R HN 0.458 nan 8.270 nan 0.000 0.431 10 A N 1.511 124.326 122.820 -0.008 0.000 1.883 10 A HA -0.185 4.136 4.320 0.001 0.000 0.217 10 A C 2.165 179.748 177.584 -0.003 0.000 1.186 10 A CA 1.282 53.315 52.037 -0.007 0.000 0.624 10 A CB -0.572 18.421 19.000 -0.011 0.000 0.822 10 A HN 0.247 nan 8.150 nan 0.000 0.444 11 L N -0.028 121.194 121.223 -0.001 0.000 1.976 11 L HA -0.128 4.213 4.340 0.001 0.000 0.209 11 L C 2.345 179.218 176.870 0.005 0.000 1.071 11 L CA 1.887 56.729 54.840 0.003 0.000 0.746 11 L CB -0.653 41.408 42.059 0.004 0.000 0.890 11 L HN 0.418 nan 8.230 nan 0.000 0.432 12 L N -0.395 120.832 121.223 0.006 0.000 2.079 12 L HA -0.235 4.106 4.340 0.001 0.000 0.210 12 L C 2.683 179.553 176.870 0.000 0.000 1.081 12 L CA 1.294 56.138 54.840 0.007 0.000 0.752 12 L CB -1.120 40.945 42.059 0.011 0.000 0.896 12 L HN 0.444 nan 8.230 nan 0.000 0.433 13 A N 0.453 123.272 122.820 -0.001 0.000 1.933 13 A HA -0.222 4.098 4.320 0.001 0.000 0.218 13 A C 2.700 180.281 177.584 -0.004 0.000 1.175 13 A CA 2.161 54.194 52.037 -0.005 0.000 0.628 13 A CB -0.717 18.282 19.000 -0.002 0.000 0.814 13 A HN 0.426 nan 8.150 nan 0.000 0.444 14 R N -0.183 120.318 120.500 0.001 0.000 2.119 14 R HA 0.259 4.600 4.340 0.001 0.000 0.222 14 R C 2.009 178.314 176.300 0.008 0.000 1.088 14 R CA 1.404 57.507 56.100 0.005 0.000 0.984 14 R CB -1.274 29.030 30.300 0.006 0.000 0.884 14 R HN 0.577 nan 8.270 nan 0.000 0.447 15 L N -0.190 121.038 121.223 0.009 0.000 2.270 15 L HA 0.147 4.488 4.340 0.001 0.000 0.210 15 L C 3.159 180.039 176.870 0.016 0.000 1.104 15 L CA 0.746 55.596 54.840 0.017 0.000 0.804 15 L CB -0.488 41.583 42.059 0.020 0.000 0.937 15 L HN 0.448 nan 8.230 nan 0.000 0.450 16 A N 1.644 124.460 122.820 -0.006 0.000 1.896 16 A HA -0.193 4.127 4.320 0.001 0.000 0.220 16 A C 0.161 177.714 177.584 -0.051 0.000 1.206 16 A CA 2.371 54.382 52.037 -0.044 0.000 0.647 16 A CB -1.939 17.013 19.000 -0.080 0.000 0.828 16 A HN 0.353 nan 8.150 nan 0.000 0.455 17 P HA 0.091 nan 4.420 nan 0.000 0.231 17 P C 0.038 177.401 177.300 0.104 0.000 1.168 17 P CA 0.302 63.421 63.100 0.032 0.000 0.779 17 P CB -0.236 31.477 31.700 0.023 0.000 0.844 18 L N 0.730 122.000 121.223 0.078 0.000 2.654 18 L HA 0.159 4.500 4.340 0.001 0.000 0.271 18 L C 1.609 178.543 176.870 0.106 0.000 1.169 18 L CA 0.858 55.745 54.840 0.079 0.000 0.947 18 L CB -1.152 40.940 42.059 0.056 0.000 1.232 18 L HN 0.202 nan 8.230 nan 0.000 0.486 19 G N 2.359 111.217 108.800 0.098 0.000 2.162 19 G HA2 -0.359 3.601 3.960 0.001 0.000 0.260 19 G HA3 -0.359 3.601 3.960 0.001 0.000 0.260 19 G C -0.008 174.954 174.900 0.104 0.000 0.976 19 G CA -0.207 44.944 45.100 0.083 0.000 0.655 19 G HN 0.575 nan 8.290 nan 0.000 0.533 20 Y N 2.832 123.148 120.300 0.026 0.000 2.346 20 Y HA 0.491 5.042 4.550 0.001 0.000 0.330 20 Y C -1.233 174.686 175.900 0.033 0.000 1.178 20 Y CA -1.597 56.520 58.100 0.029 0.000 1.331 20 Y CB 0.879 39.356 38.460 0.029 0.000 1.253 20 Y HN 0.133 nan 8.280 nan 0.000 0.529 21 P HA 0.088 nan 4.420 nan 0.000 0.271 21 P C -2.371 174.901 177.300 -0.046 0.000 1.220 21 P CA -1.170 61.789 63.100 -0.234 0.000 0.768 21 P CB 1.123 32.638 31.700 -0.309 0.000 0.848 22 P HA -0.050 nan 4.420 nan 0.000 0.221 22 P C 0.626 177.988 177.300 0.104 0.000 1.150 22 P CA 1.169 64.323 63.100 0.091 0.000 0.800 22 P CB 0.495 32.236 31.700 0.068 0.000 0.787 23 E N -0.400 119.856 120.200 0.095 0.000 2.585 23 E HA 0.398 4.749 4.350 0.001 0.000 0.206 23 E C 0.129 176.866 176.600 0.227 0.000 1.007 23 E CA -0.568 55.921 56.400 0.149 0.000 1.028 23 E CB -0.258 29.521 29.700 0.132 0.000 1.087 23 E HN 0.155 nan 8.360 nan 0.000 0.455 24 A N 1.387 124.294 122.820 0.145 0.000 2.448 24 A HA 0.212 4.533 4.320 0.001 0.000 0.239 24 A C -1.215 176.443 177.584 0.124 0.000 1.080 24 A CA -0.736 51.349 52.037 0.079 0.000 0.779 24 A CB 0.082 19.082 19.000 -0.000 0.000 1.026 24 A HN 0.107 nan 8.150 nan 0.000 0.499 25 P HA 0.071 nan 4.420 nan 0.000 0.229 25 P C -0.212 177.071 177.300 -0.029 0.000 1.160 25 P CA 0.986 63.933 63.100 -0.254 0.000 0.777 25 P CB 0.052 31.149 31.700 -1.004 0.000 0.814 26 L N 0.573 121.822 121.223 0.044 0.000 2.409 26 L HA 0.499 4.839 4.340 0.001 0.000 0.262 26 L C -2.526 174.460 176.870 0.194 0.000 0.992 26 L CA -2.702 52.198 54.840 0.099 0.000 0.817 26 L CB 2.762 44.866 42.059 0.075 0.000 1.350 26 L HN -0.286 nan 8.230 nan 0.000 0.411 27 P HA 0.267 nan 4.420 nan 0.000 0.274 27 P C -2.762 174.405 177.300 -0.222 0.000 1.256 27 P CA -1.605 61.518 63.100 0.038 0.000 0.795 27 P CB -0.095 31.613 31.700 0.014 0.000 1.038 28 P HA 0.127 nan 4.420 nan 0.000 0.272 28 P C 0.821 177.890 177.300 -0.385 0.000 1.223 28 P CA 0.888 63.468 63.100 -0.866 0.000 0.784 28 P CB -0.113 31.247 31.700 -0.567 0.000 0.923 29 G N 0.340 108.946 108.800 -0.322 0.000 2.153 29 G HA2 -0.204 3.756 3.960 0.001 0.000 0.252 29 G HA3 -0.204 3.756 3.960 0.001 0.000 0.252 29 G C 0.170 175.022 174.900 -0.080 0.000 0.994 29 G CA -0.001 45.014 45.100 -0.141 0.000 0.698 29 G HN 0.589 nan 8.290 nan 0.000 0.521 30 D N -0.517 119.833 120.400 -0.083 0.000 2.466 30 D HA 0.298 4.939 4.640 0.001 0.000 0.262 30 D C 1.329 177.638 176.300 0.015 0.000 1.177 30 D CA -0.594 53.396 54.000 -0.018 0.000 1.035 30 D CB 0.516 41.314 40.800 -0.004 0.000 1.105 30 D HN 0.030 nan 8.370 nan 0.000 0.551 31 D N -0.517 119.906 120.400 0.038 0.000 2.309 31 D HA 0.010 4.651 4.640 0.001 0.000 0.212 31 D C 0.219 176.562 176.300 0.072 0.000 0.968 31 D CA 0.721 54.758 54.000 0.061 0.000 0.882 31 D CB 0.448 41.291 40.800 0.071 0.000 0.918 31 D HN 0.305 nan 8.370 nan 0.000 0.503 32 A N -0.413 122.445 122.820 0.063 0.000 2.581 32 A HA 0.638 4.958 4.320 0.001 0.000 0.290 32 A C -0.357 177.288 177.584 0.102 0.000 1.119 32 A CA -0.239 51.845 52.037 0.078 0.000 0.670 32 A CB 1.561 20.598 19.000 0.062 0.000 1.280 32 A HN 0.091 nan 8.150 nan 0.000 0.425 33 G N -1.664 107.220 108.800 0.141 0.000 2.685 33 G HA2 0.883 4.843 3.960 0.001 0.000 0.298 33 G HA3 0.883 4.843 3.960 0.001 0.000 0.298 33 G C -0.150 174.818 174.900 0.114 0.000 1.277 33 G CA -0.347 44.901 45.100 0.248 0.000 0.986 33 G HN 2.010 nan 8.290 nan 0.000 0.487 34 G N -2.137 106.689 108.800 0.042 0.000 2.356 34 G HA2 0.672 4.633 3.960 0.001 0.000 0.294 34 G HA3 0.672 4.633 3.960 0.001 0.000 0.294 34 G C -1.263 173.548 174.900 -0.148 0.000 1.423 34 G CA 0.357 45.424 45.100 -0.055 0.000 0.806 34 G HN 1.849 nan 8.290 nan 0.000 0.527 35 V N -3.644 116.197 119.914 -0.122 0.000 3.130 35 V HA 0.859 4.980 4.120 0.001 0.000 0.310 35 V C -1.247 174.792 176.094 -0.092 0.000 1.158 35 V CA -1.634 60.604 62.300 -0.104 0.000 1.029 35 V CB 1.933 33.744 31.823 -0.021 0.000 1.057 35 V HN 0.833 nan 8.190 nan 0.000 0.436 36 W N 1.471 122.809 121.300 0.063 0.000 2.322 36 W HA 0.766 5.426 4.660 0.001 0.000 0.307 36 W C 0.265 176.843 176.519 0.099 0.000 1.220 36 W CA 0.159 57.555 57.345 0.085 0.000 1.210 36 W CB 1.581 31.070 29.460 0.049 0.000 1.223 36 W HN 1.002 nan 8.180 nan 0.000 0.511 37 A N 3.288 126.364 122.820 0.427 0.000 2.385 37 A HA 0.431 4.752 4.320 0.001 0.000 0.290 37 A C -0.100 177.656 177.584 0.286 0.000 1.094 37 A CA -0.647 51.553 52.037 0.271 0.000 0.729 37 A CB 0.611 19.682 19.000 0.118 0.000 1.194 37 A HN 0.792 nan 8.150 nan 0.000 0.442 38 E N 1.550 121.858 120.200 0.180 0.000 2.269 38 E HA -0.292 4.059 4.350 0.001 0.000 0.223 38 E C 1.095 177.803 176.600 0.180 0.000 1.244 38 E CA 1.206 57.692 56.400 0.143 0.000 0.713 38 E CB -1.543 28.220 29.700 0.105 0.000 1.178 38 E HN 2.259 nan 8.360 nan 0.000 0.370 39 G N -0.517 108.403 108.800 0.200 0.000 2.199 39 G HA2 -0.327 3.634 3.960 0.001 0.000 0.254 39 G HA3 -0.327 3.634 3.960 0.001 0.000 0.254 39 G C 0.193 175.292 174.900 0.331 0.000 0.982 39 G CA 0.511 45.721 45.100 0.183 0.000 0.632 39 G HN 0.194 nan 8.290 nan 0.000 0.529 40 R N 0.145 120.891 120.500 0.410 0.000 2.778 40 R HA 0.788 5.128 4.340 0.001 0.000 0.277 40 R C 0.025 176.450 176.300 0.209 0.000 0.977 40 R CA -0.247 56.024 56.100 0.285 0.000 0.950 40 R CB 1.421 31.747 30.300 0.043 0.000 1.165 40 R HN 0.719 nan 8.270 nan 0.000 0.474 41 A N 2.191 124.850 122.820 -0.267 0.000 2.316 41 A HA 0.362 4.683 4.320 0.001 0.000 0.311 41 A C -1.048 176.266 177.584 -0.450 0.000 1.339 41 A CA -0.449 51.180 52.037 -0.681 0.000 0.960 41 A CB -0.154 18.234 19.000 -1.020 0.000 1.152 41 A HN 0.587 nan 8.150 nan 0.000 0.547 42 W N 3.567 124.721 121.300 -0.243 0.000 2.332 42 W HA 0.515 5.176 4.660 0.001 0.000 0.306 42 W C -0.238 176.195 176.519 -0.143 0.000 1.149 42 W CA -0.119 57.127 57.345 -0.164 0.000 1.271 42 W CB 0.952 30.341 29.460 -0.118 0.000 1.243 42 W HN 0.453 nan 8.180 nan 0.000 0.459 43 L N 4.951 126.176 121.223 0.003 0.000 2.343 43 L HA 0.679 5.020 4.340 0.001 0.000 0.275 43 L C -0.492 176.447 176.870 0.114 0.000 1.056 43 L CA -1.344 53.509 54.840 0.022 0.000 0.804 43 L CB 1.001 43.032 42.059 -0.046 0.000 1.203 43 L HN 0.197 nan 8.230 nan 0.000 0.440 44 L N 2.994 124.279 121.223 0.104 0.000 2.422 44 L HA 0.702 5.043 4.340 0.001 0.000 0.264 44 L C -0.954 175.972 176.870 0.093 0.000 0.984 44 L CA -0.342 54.568 54.840 0.116 0.000 0.819 44 L CB 1.882 44.008 42.059 0.112 0.000 1.330 44 L HN 0.566 nan 8.230 nan 0.000 0.410 45 K N 1.519 121.970 120.400 0.084 0.000 2.542 45 K HA 0.790 5.111 4.320 0.001 0.000 0.259 45 K C -1.762 174.892 176.600 0.089 0.000 0.932 45 K CA -0.246 56.096 56.287 0.091 0.000 0.820 45 K CB 2.177 34.736 32.500 0.098 0.000 1.345 45 K HN 0.601 nan 8.250 nan 0.000 0.432 46 T N 2.634 117.242 114.554 0.090 0.000 2.848 46 T HA 0.494 4.845 4.350 0.001 0.000 0.285 46 T C -1.620 173.142 174.700 0.103 0.000 0.995 46 T CA -0.744 61.407 62.100 0.086 0.000 0.970 46 T CB 1.025 69.934 68.868 0.068 0.000 0.976 46 T HN 0.433 nan 8.240 nan 0.000 0.441 47 D N 1.510 121.979 120.400 0.115 0.000 2.629 47 D HA 0.597 5.238 4.640 0.001 0.000 0.250 47 D C -0.056 176.337 176.300 0.155 0.000 1.126 47 D CA -0.161 53.933 54.000 0.158 0.000 0.852 47 D CB 2.156 43.065 40.800 0.182 0.000 1.335 47 D HN 0.699 nan 8.370 nan 0.000 0.518 48 G N 0.570 109.464 108.800 0.157 0.000 2.600 48 G HA2 0.828 4.788 3.960 0.001 0.000 0.303 48 G HA3 0.828 4.788 3.960 0.001 0.000 0.303 48 G C -1.164 173.856 174.900 0.200 0.000 1.253 48 G CA -0.783 44.343 45.100 0.043 0.000 0.974 48 G HN 0.377 nan 8.290 nan 0.000 0.483 49 F N -2.132 117.858 119.950 0.066 0.000 2.829 49 F HA 0.545 5.073 4.527 0.001 0.000 0.319 49 F C -1.737 174.109 175.800 0.075 0.000 1.153 49 F CA -1.592 56.441 58.000 0.056 0.000 0.912 49 F CB 0.786 39.809 39.000 0.038 0.000 1.292 49 F HN 0.460 nan 8.300 nan 0.000 0.447 50 L N 2.897 124.311 121.223 0.318 0.000 2.312 50 L HA 0.313 4.653 4.340 0.001 0.000 0.281 50 L C 0.907 178.009 176.870 0.387 0.000 1.070 50 L CA -0.889 54.102 54.840 0.252 0.000 0.805 50 L CB 1.295 43.450 42.059 0.160 0.000 1.174 50 L HN 0.904 nan 8.230 nan 0.000 0.434 51 Y N 3.831 124.285 120.300 0.256 0.000 2.069 51 Y HA -0.336 4.215 4.550 0.001 0.000 0.278 51 Y C 2.606 178.603 175.900 0.162 0.000 1.175 51 Y CA 2.297 60.555 58.100 0.264 0.000 1.134 51 Y CB 0.009 38.616 38.460 0.246 0.000 0.965 51 Y HN 0.612 nan 8.280 nan 0.000 0.498 52 R N 0.161 120.818 120.500 0.263 0.000 2.241 52 R HA -0.138 4.203 4.340 0.001 0.000 0.224 52 R C 1.526 177.838 176.300 0.020 0.000 1.101 52 R CA 1.827 58.006 56.100 0.131 0.000 0.995 52 R CB -0.677 29.723 30.300 0.167 0.000 0.870 52 R HN 0.468 nan 8.270 nan 0.000 0.463 53 E N 0.754 120.973 120.200 0.032 0.000 2.299 53 E HA -0.021 4.329 4.350 0.001 0.000 0.193 53 E C 1.527 178.062 176.600 -0.109 0.000 0.998 53 E CA 0.743 57.141 56.400 -0.004 0.000 0.851 53 E CB 0.435 30.165 29.700 0.051 0.000 0.795 53 E HN 0.185 nan 8.360 nan 0.000 0.492 54 V N 0.655 120.451 119.914 -0.196 0.000 3.212 54 V HA 0.151 4.272 4.120 0.001 0.000 0.244 54 V C 0.921 176.763 176.094 -0.420 0.000 1.151 54 V CA 0.422 62.520 62.300 -0.336 0.000 1.119 54 V CB 0.467 31.990 31.823 -0.500 0.000 0.838 54 V HN 0.113 nan 8.190 nan 0.000 0.470 55 A N 1.825 124.351 122.820 -0.490 0.000 2.444 55 A HA 0.458 4.778 4.320 0.001 0.000 0.287 55 A C -0.032 177.282 177.584 -0.450 0.000 1.195 55 A CA 0.187 51.917 52.037 -0.511 0.000 0.858 55 A CB -0.616 18.025 19.000 -0.598 0.000 1.117 55 A HN 0.455 nan 8.150 nan 0.000 0.521 56 L N 1.773 122.702 121.223 -0.490 0.000 2.431 56 L HA 0.484 4.824 4.340 0.001 0.000 0.260 56 L C 1.285 178.044 176.870 -0.185 0.000 1.098 56 L CA -0.818 53.680 54.840 -0.569 0.000 0.800 56 L CB 0.463 42.310 42.059 -0.353 0.000 1.210 56 L HN 0.735 nan 8.230 nan 0.000 0.465 57 K N 0.462 120.984 120.400 0.203 0.000 2.511 57 K HA 0.339 4.660 4.320 0.001 0.000 0.280 57 K C 1.042 177.735 176.600 0.154 0.000 1.008 57 K CA 0.564 56.987 56.287 0.227 0.000 1.050 57 K CB -0.718 31.952 32.500 0.282 0.000 0.889 57 K HN 0.972 nan 8.250 nan 0.000 0.484 58 G N 0.701 109.575 108.800 0.123 0.000 2.241 58 G HA2 -0.230 3.731 3.960 0.001 0.000 0.244 58 G HA3 -0.230 3.731 3.960 0.001 0.000 0.244 58 G C 0.431 175.317 174.900 -0.023 0.000 0.998 58 G CA 0.451 45.662 45.100 0.185 0.000 0.621 58 G HN 0.752 nan 8.290 nan 0.000 0.519 59 M N 1.213 120.612 119.600 -0.335 0.000 2.249 59 M HA 0.553 5.034 4.480 0.001 0.000 0.351 59 M C 0.992 177.177 176.300 -0.191 0.000 1.180 59 M CA 0.488 55.450 55.300 -0.563 0.000 1.127 59 M CB 1.486 33.620 32.600 -0.777 0.000 1.546 59 M HN 0.296 nan 8.290 nan 0.000 0.461 60 G N 1.510 110.250 108.800 -0.100 0.000 3.016 60 G HA2 0.563 4.523 3.960 0.001 0.000 0.270 60 G HA3 0.563 4.523 3.960 0.001 0.000 0.270 60 G C -2.293 172.660 174.900 0.088 0.000 1.352 60 G CA -0.968 44.177 45.100 0.074 0.000 1.060 60 G HN 0.429 nan 8.290 nan 0.000 0.538 61 P HA -0.131 nan 4.420 nan 0.000 0.220 61 P C 1.504 178.783 177.300 -0.034 0.000 1.148 61 P CA 0.799 63.828 63.100 -0.119 0.000 0.803 61 P CB 0.114 31.254 31.700 -0.934 0.000 0.782 62 F N 1.754 121.656 119.950 -0.079 0.000 2.134 62 F HA -0.168 4.360 4.527 0.001 0.000 0.299 62 F C 2.011 177.839 175.800 0.047 0.000 1.097 62 F CA 1.734 59.736 58.000 0.003 0.000 1.264 62 F CB -0.383 38.642 39.000 0.042 0.000 1.001 62 F HN -0.182 nan 8.300 nan 0.000 0.479 63 E N -0.089 120.187 120.200 0.127 0.000 2.106 63 E HA -0.139 4.212 4.350 0.001 0.000 0.192 63 E C 2.322 178.838 176.600 -0.140 0.000 0.984 63 E CA 1.368 57.712 56.400 -0.094 0.000 0.806 63 E CB -0.646 28.816 29.700 -0.397 0.000 0.750 63 E HN 0.281 nan 8.360 nan 0.000 0.458 64 V N 0.386 120.221 119.914 -0.133 0.000 2.295 64 V HA -0.191 3.929 4.120 0.001 0.000 0.246 64 V C 2.235 178.334 176.094 0.008 0.000 1.049 64 V CA 2.025 64.258 62.300 -0.110 0.000 1.024 64 V CB -1.065 30.740 31.823 -0.030 0.000 0.648 64 V HN 0.435 nan 8.190 nan 0.000 0.447 65 G N -1.174 107.620 108.800 -0.010 0.000 2.422 65 G HA2 -0.299 3.661 3.960 0.001 0.000 0.218 65 G HA3 -0.299 3.661 3.960 0.001 0.000 0.218 65 G C 1.589 176.422 174.900 -0.113 0.000 1.146 65 G CA 0.886 45.959 45.100 -0.045 0.000 0.769 65 G HN 0.486 nan 8.290 nan 0.000 0.547 66 F N 1.291 121.056 119.950 -0.309 0.000 2.102 66 F HA 0.008 4.535 4.527 0.001 0.000 0.298 66 F C 2.913 178.568 175.800 -0.241 0.000 1.105 66 F CA 1.502 59.332 58.000 -0.283 0.000 1.239 66 F CB 0.031 38.920 39.000 -0.186 0.000 0.991 66 F HN -0.029 nan 8.300 nan 0.000 0.474 67 R N -0.074 120.452 120.500 0.043 0.000 2.115 67 R HA -0.089 4.251 4.340 0.001 0.000 0.230 67 R C 2.499 178.630 176.300 -0.282 0.000 1.111 67 R CA 0.941 56.959 56.100 -0.136 0.000 0.976 67 R CB -1.026 29.138 30.300 -0.226 0.000 0.870 67 R HN 0.483 nan 8.270 nan 0.000 0.445 68 G N 0.366 109.084 108.800 -0.136 0.000 2.421 68 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 68 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 68 G C 1.424 176.230 174.900 -0.156 0.000 1.171 68 G CA 0.611 45.762 45.100 0.085 0.000 0.775 68 G HN 0.127 nan 8.290 nan 0.000 0.543 69 V N 1.467 121.174 119.914 -0.345 0.000 2.379 69 V HA -0.063 4.057 4.120 0.001 0.000 0.245 69 V C 3.325 179.060 176.094 -0.600 0.000 1.044 69 V CA 1.856 63.776 62.300 -0.634 0.000 1.036 69 V CB -0.743 30.538 31.823 -0.902 0.000 0.664 69 V HN 0.474 nan 8.190 nan 0.000 0.453 70 A N 0.186 122.667 122.820 -0.564 0.000 1.892 70 A HA -0.215 4.105 4.320 0.001 0.000 0.218 70 A C 2.435 179.709 177.584 -0.517 0.000 1.188 70 A CA 2.428 54.181 52.037 -0.473 0.000 0.631 70 A CB -0.874 17.928 19.000 -0.330 0.000 0.822 70 A HN 0.579 nan 8.150 nan 0.000 0.447 71 A N -1.173 121.200 122.820 -0.744 0.000 1.858 71 A HA -0.105 4.216 4.320 0.001 0.000 0.216 71 A C 2.339 179.637 177.584 -0.475 0.000 1.190 71 A CA 2.405 53.690 52.037 -1.253 0.000 0.617 71 A CB -1.405 16.870 19.000 -1.208 0.000 0.827 71 A HN 0.441 nan 8.150 nan 0.000 0.443 72 T N 0.346 114.777 114.554 -0.204 0.000 2.746 72 T HA -0.032 4.319 4.350 0.001 0.000 0.267 72 T C 2.199 176.970 174.700 0.119 0.000 1.039 72 T CA 1.644 63.768 62.100 0.039 0.000 1.142 72 T CB -0.484 68.478 68.868 0.158 0.000 0.866 72 T HN 0.606 nan 8.240 nan 0.000 0.444 73 A N 1.262 124.142 122.820 0.100 0.000 1.933 73 A HA -0.096 4.225 4.320 0.001 0.000 0.218 73 A C 2.608 180.232 177.584 0.068 0.000 1.175 73 A CA 1.922 54.058 52.037 0.165 0.000 0.628 73 A CB -0.822 18.220 19.000 0.071 0.000 0.814 73 A HN 0.440 nan 8.150 nan 0.000 0.444 74 S N 0.084 115.786 115.700 0.003 0.000 2.382 74 S HA -0.134 4.336 4.470 0.001 0.000 0.228 74 S C 1.589 176.267 174.600 0.130 0.000 1.027 74 S CA 1.320 59.565 58.200 0.076 0.000 0.991 74 S CB -0.375 62.910 63.200 0.142 0.000 0.823 74 S HN 0.605 nan 8.310 nan 0.000 0.469 75 D N 1.526 122.016 120.400 0.150 0.000 2.117 75 D HA -0.017 4.624 4.640 0.001 0.000 0.198 75 D C 1.925 178.282 176.300 0.094 0.000 0.982 75 D CA 0.758 54.844 54.000 0.145 0.000 0.828 75 D CB -0.353 40.542 40.800 0.158 0.000 0.967 75 D HN 0.307 nan 8.370 nan 0.000 0.464 76 L N 0.273 121.546 121.223 0.083 0.000 2.046 76 L HA -0.133 4.207 4.340 0.001 0.000 0.208 76 L C 2.588 179.474 176.870 0.027 0.000 1.077 76 L CA 0.657 55.525 54.840 0.047 0.000 0.747 76 L CB -0.344 41.742 42.059 0.045 0.000 0.896 76 L HN 0.016 nan 8.230 nan 0.000 0.432 77 L N -0.471 120.777 121.223 0.041 0.000 2.093 77 L HA -0.176 4.165 4.340 0.001 0.000 0.208 77 L C 2.839 179.730 176.870 0.035 0.000 1.085 77 L CA 1.030 55.887 54.840 0.029 0.000 0.755 77 L CB -0.660 41.421 42.059 0.037 0.000 0.904 77 L HN 0.238 nan 8.230 nan 0.000 0.435 78 A N -0.446 122.408 122.820 0.056 0.000 1.972 78 A HA -0.165 4.156 4.320 0.001 0.000 0.219 78 A C 2.020 179.629 177.584 0.042 0.000 1.169 78 A CA 1.359 53.434 52.037 0.062 0.000 0.635 78 A CB -0.217 18.833 19.000 0.084 0.000 0.810 78 A HN 0.191 nan 8.150 nan 0.000 0.446 79 K N -1.000 119.417 120.400 0.027 0.000 2.505 79 K HA 0.167 4.487 4.320 0.001 0.000 0.192 79 K C 0.095 176.684 176.600 -0.019 0.000 1.025 79 K CA 0.032 56.323 56.287 0.006 0.000 1.086 79 K CB 0.056 32.554 32.500 -0.003 0.000 0.840 79 K HN 0.441 nan 8.250 nan 0.000 0.514 80 M N -0.807 118.785 119.600 -0.014 0.000 2.732 80 M HA -0.126 4.355 4.480 0.001 0.000 0.207 80 M C 0.268 176.527 176.300 -0.068 0.000 0.513 80 M CA 0.758 56.040 55.300 -0.030 0.000 0.652 80 M CB -2.548 30.038 32.600 -0.024 0.000 2.410 80 M HN 0.169 nan 8.290 nan 0.000 0.660 81 G N 0.625 109.380 108.800 -0.076 0.000 2.356 81 G HA2 0.575 4.536 3.960 0.001 0.000 0.322 81 G HA3 0.575 4.536 3.960 0.001 0.000 0.322 81 G C -0.057 174.776 174.900 -0.111 0.000 1.125 81 G CA -0.682 44.340 45.100 -0.130 0.000 0.885 81 G HN 0.372 nan 8.290 nan 0.000 0.467 82 R N 3.097 123.504 120.500 -0.155 0.000 2.220 82 R HA 0.279 4.620 4.340 0.001 0.000 0.340 82 R C -2.370 173.853 176.300 -0.128 0.000 1.076 82 R CA -1.412 54.617 56.100 -0.119 0.000 0.920 82 R CB 0.592 30.815 30.300 -0.128 0.000 1.062 82 R HN 0.213 nan 8.270 nan 0.000 0.469 83 P HA -0.023 nan 4.420 nan 0.000 0.267 83 P C -0.194 177.057 177.300 -0.082 0.000 1.205 83 P CA 0.242 63.288 63.100 -0.090 0.000 0.765 83 P CB 0.725 32.450 31.700 0.041 0.000 0.828 84 L N 1.711 122.889 121.223 -0.075 0.000 2.642 84 L HA 0.450 4.790 4.340 0.001 0.000 0.233 84 L C 1.101 178.084 176.870 0.189 0.000 1.077 84 L CA 0.232 55.108 54.840 0.061 0.000 0.879 84 L CB 0.194 42.269 42.059 0.027 0.000 1.151 84 L HN 0.526 nan 8.230 nan 0.000 0.495 85 G N -0.595 108.215 108.800 0.018 0.000 2.547 85 G HA2 0.530 4.490 3.960 0.001 0.000 0.291 85 G HA3 0.530 4.490 3.960 0.001 0.000 0.291 85 G C -1.904 172.612 174.900 -0.640 0.000 1.471 85 G CA -0.425 44.642 45.100 -0.054 0.000 0.798 85 G HN -0.170 nan 8.290 nan 0.000 0.504 86 F N -0.043 119.889 119.950 -0.030 0.000 2.599 86 F HA 0.777 5.304 4.527 0.001 0.000 0.311 86 F C 0.442 176.180 175.800 -0.104 0.000 1.076 86 F CA -0.767 57.180 58.000 -0.087 0.000 0.937 86 F CB 3.026 41.986 39.000 -0.066 0.000 1.282 86 F HN 0.605 nan 8.300 nan 0.000 0.460 87 T N 0.091 114.681 114.554 0.061 0.000 2.893 87 T HA 0.800 5.151 4.350 0.001 0.000 0.291 87 T C -1.312 173.393 174.700 0.008 0.000 1.028 87 T CA -0.800 61.299 62.100 -0.001 0.000 0.995 87 T CB 1.849 70.676 68.868 -0.069 0.000 1.051 87 T HN 0.300 nan 8.240 nan 0.000 0.470 88 L N 1.664 122.875 121.223 -0.021 0.000 2.334 88 L HA 0.782 5.123 4.340 0.001 0.000 0.276 88 L C 0.566 177.386 176.870 -0.082 0.000 1.014 88 L CA -0.338 54.475 54.840 -0.046 0.000 0.815 88 L CB 1.743 43.772 42.059 -0.050 0.000 1.268 88 L HN 1.114 nan 8.230 nan 0.000 0.428 89 G N 4.007 112.745 108.800 -0.103 0.000 2.502 89 G HA2 0.655 4.616 3.960 0.001 0.000 0.311 89 G HA3 0.655 4.616 3.960 0.001 0.000 0.311 89 G C -1.157 173.606 174.900 -0.227 0.000 1.270 89 G CA -0.325 44.672 45.100 -0.171 0.000 0.948 89 G HN 0.403 nan 8.290 nan 0.000 0.487 90 L N 1.660 122.690 121.223 -0.323 0.000 2.346 90 L HA 0.583 4.924 4.340 0.001 0.000 0.276 90 L C -0.998 175.595 176.870 -0.461 0.000 1.006 90 L CA -0.852 53.833 54.840 -0.258 0.000 0.817 90 L CB 2.200 44.184 42.059 -0.125 0.000 1.272 90 L HN 0.357 nan 8.230 nan 0.000 0.421 91 F N 3.760 123.693 119.950 -0.029 0.000 2.402 91 F HA 0.600 5.128 4.527 0.001 0.000 0.355 91 F C -0.311 175.479 175.800 -0.016 0.000 1.123 91 F CA -0.409 57.577 58.000 -0.023 0.000 1.021 91 F CB 1.422 40.405 39.000 -0.027 0.000 1.160 91 F HN 0.147 nan 8.300 nan 0.000 0.451 92 L N 5.321 126.598 121.223 0.090 0.000 2.409 92 L HA 0.536 4.877 4.340 0.001 0.000 0.272 92 L C -2.660 174.216 176.870 0.011 0.000 0.980 92 L CA -2.202 52.659 54.840 0.035 0.000 0.826 92 L CB 2.181 44.247 42.059 0.011 0.000 1.268 92 L HN 0.304 nan 8.230 nan 0.000 0.407 93 P HA 0.033 nan 4.420 nan 0.000 0.271 93 P C 0.310 177.584 177.300 -0.044 0.000 1.216 93 P CA -0.331 62.746 63.100 -0.037 0.000 0.776 93 P CB 0.591 32.247 31.700 -0.074 0.000 0.881 94 E N 1.948 122.131 120.200 -0.028 0.000 2.333 94 E HA -0.223 4.128 4.350 0.001 0.000 0.198 94 E C 0.471 177.050 176.600 -0.035 0.000 1.007 94 E CA 1.128 57.513 56.400 -0.025 0.000 0.845 94 E CB -0.509 29.182 29.700 -0.015 0.000 0.766 94 E HN 0.424 nan 8.360 nan 0.000 0.507 95 D N 0.640 121.010 120.400 -0.051 0.000 2.325 95 D HA 0.023 4.663 4.640 0.001 0.000 0.225 95 D C 0.182 176.433 176.300 -0.082 0.000 1.096 95 D CA -0.372 53.594 54.000 -0.055 0.000 0.844 95 D CB -0.094 40.675 40.800 -0.052 0.000 0.925 95 D HN 0.116 nan 8.370 nan 0.000 0.513 96 L N 1.443 122.604 121.223 -0.102 0.000 2.397 96 L HA 0.195 4.535 4.340 0.001 0.000 0.271 96 L C 0.471 177.304 176.870 -0.061 0.000 1.148 96 L CA -0.105 54.645 54.840 -0.150 0.000 0.825 96 L CB 0.790 42.736 42.059 -0.188 0.000 1.117 96 L HN -0.115 nan 8.230 nan 0.000 0.456 97 E N 2.761 122.940 120.200 -0.034 0.000 2.354 97 E HA -0.008 4.343 4.350 0.001 0.000 0.269 97 E C 0.827 177.474 176.600 0.078 0.000 1.036 97 E CA 0.107 56.524 56.400 0.029 0.000 0.876 97 E CB 1.001 30.731 29.700 0.049 0.000 1.009 97 E HN 0.720 nan 8.360 nan 0.000 0.416 98 E N 2.370 122.607 120.200 0.061 0.000 2.160 98 E HA -0.185 4.166 4.350 0.001 0.000 0.195 98 E C 1.555 178.211 176.600 0.093 0.000 0.991 98 E CA 1.299 57.741 56.400 0.069 0.000 0.810 98 E CB -0.235 29.491 29.700 0.043 0.000 0.742 98 E HN 0.599 nan 8.360 nan 0.000 0.466 99 G N 0.684 109.542 108.800 0.096 0.000 2.432 99 G HA2 -0.291 3.670 3.960 0.001 0.000 0.219 99 G HA3 -0.291 3.670 3.960 0.001 0.000 0.219 99 G C 1.304 176.278 174.900 0.122 0.000 1.135 99 G CA 0.663 45.819 45.100 0.094 0.000 0.767 99 G HN 0.388 nan 8.290 nan 0.000 0.550 100 F N 1.195 121.151 119.950 0.009 0.000 2.134 100 F HA -0.108 4.420 4.527 0.001 0.000 0.299 100 F C 2.593 178.397 175.800 0.005 0.000 1.097 100 F CA 1.477 59.476 58.000 -0.000 0.000 1.264 100 F CB 0.002 38.973 39.000 -0.048 0.000 1.001 100 F HN 0.012 nan 8.300 nan 0.000 0.479 101 V N 0.239 120.286 119.914 0.222 0.000 2.453 101 V HA -0.235 3.886 4.120 0.001 0.000 0.247 101 V C 2.235 178.340 176.094 0.018 0.000 1.048 101 V CA 1.439 63.808 62.300 0.114 0.000 1.049 101 V CB -0.677 31.216 31.823 0.117 0.000 0.672 101 V HN 0.412 nan 8.190 nan 0.000 0.457 102 L N 0.288 121.531 121.223 0.034 0.000 2.083 102 L HA -0.106 4.235 4.340 0.001 0.000 0.209 102 L C 2.451 179.338 176.870 0.029 0.000 1.083 102 L CA 1.857 56.716 54.840 0.032 0.000 0.752 102 L CB -0.777 41.310 42.059 0.047 0.000 0.899 102 L HN 0.286 nan 8.230 nan 0.000 0.433 103 E N -0.258 119.943 120.200 0.003 0.000 2.051 103 E HA -0.212 4.139 4.350 0.001 0.000 0.192 103 E C 2.319 178.899 176.600 -0.034 0.000 0.991 103 E CA 1.470 57.898 56.400 0.045 0.000 0.799 103 E CB -0.410 29.275 29.700 -0.025 0.000 0.748 103 E HN 0.522 nan 8.360 nan 0.000 0.449 104 L N 0.590 121.724 121.223 -0.148 0.000 2.013 104 L HA -0.211 4.129 4.340 0.001 0.000 0.212 104 L C 2.600 179.408 176.870 -0.103 0.000 1.073 104 L CA 1.093 55.854 54.840 -0.133 0.000 0.753 104 L CB -0.544 41.453 42.059 -0.103 0.000 0.890 104 L HN 0.011 nan 8.230 nan 0.000 0.432 105 V N -0.704 119.172 119.914 -0.062 0.000 2.358 105 V HA -0.196 3.925 4.120 0.001 0.000 0.246 105 V C 2.632 178.690 176.094 -0.060 0.000 1.047 105 V CA 1.402 63.671 62.300 -0.052 0.000 1.035 105 V CB -0.652 31.160 31.823 -0.018 0.000 0.658 105 V HN 0.398 nan 8.190 nan 0.000 0.452 106 R N 0.569 121.058 120.500 -0.018 0.000 2.096 106 R HA -0.080 4.261 4.340 0.001 0.000 0.235 106 R C 2.459 178.662 176.300 -0.162 0.000 1.127 106 R CA 1.478 57.603 56.100 0.040 0.000 0.968 106 R CB -1.145 29.291 30.300 0.227 0.000 0.861 106 R HN 0.576 nan 8.270 nan 0.000 0.440 107 G N 0.872 109.357 108.800 -0.524 0.000 2.418 107 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 107 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 107 G C 1.617 176.225 174.900 -0.487 0.000 1.158 107 G CA 0.955 45.363 45.100 -1.152 0.000 0.771 107 G HN 0.415 nan 8.290 nan 0.000 0.545 108 A N 1.225 123.853 122.820 -0.319 0.000 1.902 108 A HA 0.269 4.589 4.320 0.001 0.000 0.217 108 A C 2.824 180.239 177.584 -0.281 0.000 1.181 108 A CA 2.279 54.137 52.037 -0.297 0.000 0.623 108 A CB -0.844 18.036 19.000 -0.200 0.000 0.818 108 A HN 0.823 nan 8.150 nan 0.000 0.443 109 A N -0.402 122.320 122.820 -0.163 0.000 1.972 109 A HA -0.153 4.168 4.320 0.001 0.000 0.219 109 A C 1.960 179.489 177.584 -0.091 0.000 1.169 109 A CA 2.194 54.181 52.037 -0.083 0.000 0.635 109 A CB -0.429 18.570 19.000 -0.002 0.000 0.810 109 A HN 0.554 nan 8.150 nan 0.000 0.446 110 E N 0.374 120.528 120.200 -0.077 0.000 2.047 110 E HA -0.035 4.315 4.350 0.001 0.000 0.191 110 E C 2.046 178.587 176.600 -0.098 0.000 0.987 110 E CA 1.636 58.058 56.400 0.036 0.000 0.799 110 E CB -0.549 29.309 29.700 0.263 0.000 0.752 110 E HN 0.435 nan 8.360 nan 0.000 0.449 111 A N 0.845 123.401 122.820 -0.440 0.000 1.902 111 A HA -0.073 4.248 4.320 0.001 0.000 0.217 111 A C 2.443 179.712 177.584 -0.526 0.000 1.181 111 A CA 2.240 53.723 52.037 -0.922 0.000 0.623 111 A CB -1.052 17.054 19.000 -1.491 0.000 0.818 111 A HN 0.390 nan 8.150 nan 0.000 0.443 112 A N -0.200 122.363 122.820 -0.429 0.000 1.902 112 A HA -0.166 4.155 4.320 0.001 0.000 0.217 112 A C 2.133 179.607 177.584 -0.183 0.000 1.181 112 A CA 2.008 53.889 52.037 -0.259 0.000 0.623 112 A CB -0.477 18.452 19.000 -0.119 0.000 0.818 112 A HN 0.565 nan 8.150 nan 0.000 0.443 113 K N -0.600 119.698 120.400 -0.170 0.000 2.063 113 K HA -0.178 4.143 4.320 0.001 0.000 0.208 113 K C 2.079 178.609 176.600 -0.118 0.000 1.048 113 K CA 1.230 57.424 56.287 -0.155 0.000 0.928 113 K CB -0.136 32.324 32.500 -0.067 0.000 0.713 113 K HN 0.268 nan 8.250 nan 0.000 0.442 114 R N 0.453 120.900 120.500 -0.087 0.000 2.159 114 R HA -0.111 4.230 4.340 0.001 0.000 0.237 114 R C 1.957 178.221 176.300 -0.061 0.000 1.131 114 R CA 0.991 57.063 56.100 -0.047 0.000 0.982 114 R CB -0.348 29.945 30.300 -0.010 0.000 0.868 114 R HN 0.344 nan 8.270 nan 0.000 0.453 115 L N -0.628 120.541 121.223 -0.090 0.000 2.607 115 L HA 0.209 4.550 4.340 0.001 0.000 0.228 115 L C 0.987 177.809 176.870 -0.081 0.000 1.123 115 L CA 0.350 55.155 54.840 -0.057 0.000 0.890 115 L CB 0.178 42.231 42.059 -0.010 0.000 1.103 115 L HN 0.316 nan 8.230 nan 0.000 0.468 116 G N 0.543 109.253 108.800 -0.149 0.000 2.147 116 G HA2 -0.233 3.727 3.960 0.001 0.000 0.244 116 G HA3 -0.233 3.727 3.960 0.001 0.000 0.244 116 G C 0.219 174.889 174.900 -0.382 0.000 1.005 116 G CA 0.231 45.201 45.100 -0.216 0.000 0.713 116 G HN 0.508 nan 8.290 nan 0.000 0.515 117 A N -1.127 121.464 122.820 -0.382 0.000 2.312 117 A HA 1.016 5.337 4.320 0.001 0.000 0.310 117 A C -0.407 176.790 177.584 -0.645 0.000 1.139 117 A CA -0.722 51.109 52.037 -0.343 0.000 0.886 117 A CB 1.192 20.271 19.000 0.131 0.000 1.350 117 A HN 0.719 nan 8.150 nan 0.000 0.479 118 F N -1.503 118.555 119.950 0.180 0.000 2.664 118 F HA 0.593 5.120 4.527 0.001 0.000 0.329 118 F C -0.238 175.668 175.800 0.177 0.000 1.090 118 F CA -0.670 57.413 58.000 0.139 0.000 0.978 118 F CB 1.498 40.554 39.000 0.094 0.000 1.378 118 F HN 0.305 nan 8.300 nan 0.000 0.495 119 L N 2.114 123.526 121.223 0.316 0.000 2.295 119 L HA 0.414 4.755 4.340 0.001 0.000 0.285 119 L C 0.046 177.004 176.870 0.148 0.000 1.035 119 L CA -0.412 54.545 54.840 0.195 0.000 0.806 119 L CB 1.444 43.568 42.059 0.109 0.000 1.214 119 L HN 0.617 nan 8.230 nan 0.000 0.426 120 L N 3.066 124.337 121.223 0.080 0.000 2.769 120 L HA 0.398 4.738 4.340 0.001 0.000 0.240 120 L C 0.862 177.727 176.870 -0.008 0.000 1.163 120 L CA 0.017 54.871 54.840 0.023 0.000 0.962 120 L CB -0.013 42.025 42.059 -0.035 0.000 1.258 120 L HN 0.953 nan 8.230 nan 0.000 0.513 121 G N -0.377 108.424 108.800 0.001 0.000 2.337 121 G HA2 0.261 4.222 3.960 0.001 0.000 0.197 121 G HA3 0.261 4.222 3.960 0.001 0.000 0.197 121 G C -0.250 174.633 174.900 -0.028 0.000 1.238 121 G CA -0.311 44.779 45.100 -0.016 0.000 1.119 121 G HN 0.539 nan 8.290 nan 0.000 0.514 122 G N -1.170 107.604 108.800 -0.043 0.000 2.398 122 G HA2 0.595 4.556 3.960 0.001 0.000 0.251 122 G HA3 0.595 4.556 3.960 0.001 0.000 0.251 122 G C -1.997 172.859 174.900 -0.074 0.000 1.277 122 G CA 1.137 46.202 45.100 -0.059 0.000 0.927 122 G HN 1.717 nan 8.290 nan 0.000 0.477 123 D N -0.884 119.454 120.400 -0.104 0.000 2.609 123 D HA 0.682 5.323 4.640 0.001 0.000 0.239 123 D C -0.372 175.820 176.300 -0.181 0.000 1.229 123 D CA 0.542 54.465 54.000 -0.127 0.000 0.808 123 D CB 2.045 42.764 40.800 -0.135 0.000 1.448 123 D HN 0.875 nan 8.370 nan 0.000 0.433 124 T N -0.047 114.401 114.554 -0.176 0.000 2.900 124 T HA 0.771 5.122 4.350 0.001 0.000 0.295 124 T C -0.736 173.834 174.700 -0.216 0.000 1.044 124 T CA -0.834 61.144 62.100 -0.203 0.000 0.995 124 T CB 1.530 70.331 68.868 -0.112 0.000 1.072 124 T HN 0.309 nan 8.240 nan 0.000 0.473 125 N N -0.189 118.352 118.700 -0.265 0.000 2.494 125 N HA 0.610 5.351 4.740 0.001 0.000 0.270 125 N C -0.373 175.120 175.510 -0.029 0.000 1.285 125 N CA -0.785 52.170 53.050 -0.157 0.000 0.812 125 N CB 2.235 40.590 38.487 -0.220 0.000 1.557 125 N HN 0.986 nan 8.380 nan 0.000 0.487 126 R N -0.078 120.447 120.500 0.040 0.000 2.594 126 R HA 0.728 5.068 4.340 0.001 0.000 0.272 126 R C 0.546 176.938 176.300 0.154 0.000 1.074 126 R CA 0.231 56.372 56.100 0.067 0.000 1.105 126 R CB -0.070 30.255 30.300 0.041 0.000 1.008 126 R HN 0.750 nan 8.270 nan 0.000 0.472 127 G N -1.310 107.564 108.800 0.122 0.000 2.660 127 G HA2 0.443 4.403 3.960 0.001 0.000 0.290 127 G HA3 0.443 4.403 3.960 0.001 0.000 0.290 127 G C 0.348 175.276 174.900 0.046 0.000 1.432 127 G CA 0.125 45.298 45.100 0.122 0.000 0.807 127 G HN 0.650 nan 8.290 nan 0.000 0.485 128 V N -0.151 119.772 119.914 0.016 0.000 2.719 128 V HA 0.124 4.244 4.120 0.001 0.000 0.252 128 V C 1.034 177.125 176.094 -0.005 0.000 1.065 128 V CA 2.101 64.400 62.300 -0.002 0.000 1.086 128 V CB -0.714 31.102 31.823 -0.011 0.000 0.700 128 V HN 0.794 nan 8.190 nan 0.000 0.467 129 E N -1.009 119.195 120.200 0.007 0.000 2.393 129 E HA 0.457 4.807 4.350 0.001 0.000 0.273 129 E C -1.427 175.200 176.600 0.045 0.000 0.918 129 E CA -0.839 55.569 56.400 0.013 0.000 0.773 129 E CB 2.381 32.096 29.700 0.025 0.000 1.275 129 E HN -0.102 nan 8.360 nan 0.000 0.451 130 V N 0.989 120.927 119.914 0.039 0.000 2.485 130 V HA 0.427 4.548 4.120 0.001 0.000 0.287 130 V C 0.056 176.252 176.094 0.171 0.000 1.022 130 V CA 0.555 62.910 62.300 0.091 0.000 1.067 130 V CB 0.006 31.850 31.823 0.035 0.000 0.967 130 V HN 0.742 nan 8.190 nan 0.000 0.479 131 A N 6.035 128.960 122.820 0.175 0.000 2.449 131 A HA 0.928 5.248 4.320 0.001 0.000 0.302 131 A C -1.283 176.357 177.584 0.093 0.000 1.048 131 A CA -0.594 51.518 52.037 0.124 0.000 0.708 131 A CB 1.825 20.872 19.000 0.080 0.000 1.274 131 A HN 0.919 nan 8.150 nan 0.000 0.410 132 L N 1.336 122.439 121.223 -0.200 0.000 2.445 132 L HA 0.909 5.250 4.340 0.001 0.000 0.262 132 L C -0.295 176.286 176.870 -0.482 0.000 0.974 132 L CA 0.240 54.877 54.840 -0.339 0.000 0.822 132 L CB 2.485 44.266 42.059 -0.464 0.000 1.339 132 L HN 1.017 nan 8.230 nan 0.000 0.409 133 T N 1.433 115.852 114.554 -0.225 0.000 2.861 133 T HA 0.811 5.161 4.350 0.001 0.000 0.287 133 T C -1.090 173.562 174.700 -0.081 0.000 1.003 133 T CA -0.654 61.365 62.100 -0.134 0.000 0.977 133 T CB 1.509 70.374 68.868 -0.005 0.000 0.996 133 T HN 0.505 nan 8.240 nan 0.000 0.448 134 V N 3.024 122.928 119.914 -0.016 0.000 2.444 134 V HA 0.628 4.749 4.120 0.001 0.000 0.294 134 V C -0.020 176.127 176.094 0.089 0.000 1.022 134 V CA -0.674 61.648 62.300 0.036 0.000 0.850 134 V CB 1.758 33.606 31.823 0.041 0.000 0.992 134 V HN 1.108 nan 8.190 nan 0.000 0.426 135 S N 2.559 118.312 115.700 0.089 0.000 2.537 135 S HA 0.911 5.381 4.470 0.001 0.000 0.301 135 S C 0.197 174.845 174.600 0.080 0.000 1.092 135 S CA -0.471 57.772 58.200 0.072 0.000 1.048 135 S CB 1.938 65.142 63.200 0.007 0.000 1.053 135 S HN 1.122 nan 8.310 nan 0.000 0.501 136 G N 1.408 110.222 108.800 0.023 0.000 2.696 136 G HA2 0.662 4.623 3.960 0.001 0.000 0.295 136 G HA3 0.662 4.623 3.960 0.001 0.000 0.295 136 G C -1.515 173.333 174.900 -0.087 0.000 1.398 136 G CA -0.844 44.133 45.100 -0.205 0.000 0.920 136 G HN 0.715 nan 8.290 nan 0.000 0.492 137 Y N -0.950 119.210 120.300 -0.233 0.000 2.562 137 Y HA 0.864 5.415 4.550 0.001 0.000 0.343 137 Y C -0.110 175.716 175.900 -0.123 0.000 1.025 137 Y CA -1.507 56.551 58.100 -0.071 0.000 1.082 137 Y CB 2.214 40.721 38.460 0.079 0.000 1.264 137 Y HN 0.865 nan 8.280 nan 0.000 0.478 138 A N 2.644 125.483 122.820 0.030 0.000 2.594 138 A HA 0.570 4.891 4.320 0.001 0.000 0.295 138 A C -2.254 175.016 177.584 -0.524 0.000 1.071 138 A CA -0.952 50.958 52.037 -0.213 0.000 0.685 138 A CB 2.041 20.955 19.000 -0.143 0.000 1.285 138 A HN 0.933 nan 8.150 nan 0.000 0.405 139 L N 1.945 122.740 121.223 -0.713 0.000 2.265 139 L HA 0.734 5.075 4.340 0.001 0.000 0.289 139 L C 0.060 176.600 176.870 -0.551 0.000 1.033 139 L CA -0.423 53.801 54.840 -1.026 0.000 0.814 139 L CB 1.009 42.443 42.059 -1.042 0.000 1.203 139 L HN 0.902 nan 8.230 nan 0.000 0.423 140 A N 3.983 126.509 122.820 -0.489 0.000 2.273 140 A HA 0.269 4.590 4.320 0.001 0.000 0.315 140 A C 0.652 178.111 177.584 -0.207 0.000 1.256 140 A CA -0.554 51.312 52.037 -0.285 0.000 0.851 140 A CB 1.136 19.990 19.000 -0.245 0.000 1.172 140 A HN 0.930 nan 8.150 nan 0.000 0.508 141 E N 2.669 122.798 120.200 -0.118 0.000 2.107 141 E HA 0.053 4.404 4.350 0.001 0.000 0.191 141 E C 0.623 177.256 176.600 0.055 0.000 0.982 141 E CA 1.298 57.684 56.400 -0.023 0.000 0.809 141 E CB 0.097 29.785 29.700 -0.020 0.000 0.756 141 E HN 0.749 nan 8.360 nan 0.000 0.459 142 A N 2.195 125.028 122.820 0.021 0.000 2.943 142 A HA 0.329 4.650 4.320 0.001 0.000 0.327 142 A C -2.608 174.988 177.584 0.020 0.000 1.141 142 A CA -1.392 50.684 52.037 0.066 0.000 0.773 142 A CB 0.568 19.598 19.000 0.050 0.000 1.143 142 A HN 0.075 nan 8.150 nan 0.000 0.463 143 P HA 0.087 nan 4.420 nan 0.000 0.264 143 P C -0.639 176.662 177.300 0.002 0.000 1.183 143 P CA 0.135 63.196 63.100 -0.064 0.000 0.763 143 P CB 1.025 32.618 31.700 -0.179 0.000 0.807 144 L N 6.586 127.808 121.223 -0.002 0.000 2.301 144 L HA 0.474 4.815 4.340 0.001 0.000 0.278 144 L C -2.314 174.570 176.870 0.025 0.000 1.022 144 L CA -2.549 52.303 54.840 0.020 0.000 0.854 144 L CB 1.270 43.341 42.059 0.019 0.000 1.226 144 L HN 0.236 nan 8.230 nan 0.000 0.429 145 P HA 0.241 nan 4.420 nan 0.000 0.278 145 P C -1.214 176.108 177.300 0.036 0.000 1.266 145 P CA -0.685 62.437 63.100 0.037 0.000 0.807 145 P CB 0.620 32.349 31.700 0.049 0.000 1.094 146 R N 0.951 121.471 120.500 0.032 0.000 2.248 146 R HA 0.507 4.848 4.340 0.001 0.000 0.328 146 R C -0.001 176.317 176.300 0.029 0.000 1.067 146 R CA -0.410 55.709 56.100 0.031 0.000 0.924 146 R CB 0.317 30.634 30.300 0.027 0.000 1.013 146 R HN 0.426 nan 8.270 nan 0.000 0.454 147 K N 1.733 122.151 120.400 0.030 0.000 2.551 147 K HA 0.663 4.983 4.320 0.001 0.000 0.269 147 K C -2.073 174.542 176.600 0.024 0.000 0.949 147 K CA -0.763 55.541 56.287 0.028 0.000 0.849 147 K CB 2.493 35.013 32.500 0.034 0.000 1.411 147 K HN 0.783 nan 8.250 nan 0.000 0.432 148 A N 3.287 126.118 122.820 0.019 0.000 2.577 148 A HA 0.594 4.914 4.320 0.001 0.000 0.297 148 A C -1.997 175.594 177.584 0.012 0.000 1.060 148 A CA -0.726 51.319 52.037 0.014 0.000 0.697 148 A CB 1.002 20.006 19.000 0.007 0.000 1.281 148 A HN 0.510 nan 8.150 nan 0.000 0.402 149 L N 1.864 123.093 121.223 0.011 0.000 2.362 149 L HA 0.507 4.848 4.340 0.001 0.000 0.271 149 L C -2.525 174.347 176.870 0.003 0.000 1.002 149 L CA -2.365 52.480 54.840 0.008 0.000 0.818 149 L CB 2.559 44.624 42.059 0.011 0.000 1.298 149 L HN 0.398 nan 8.230 nan 0.000 0.420 150 P HA 0.055 nan 4.420 nan 0.000 0.262 150 P C 0.706 178.003 177.300 -0.005 0.000 1.182 150 P CA 0.934 64.030 63.100 -0.006 0.000 0.761 150 P CB 0.691 32.388 31.700 -0.005 0.000 0.795 151 G N 2.103 110.898 108.800 -0.010 0.000 2.259 151 G HA2 -0.174 3.786 3.960 0.001 0.000 0.217 151 G HA3 -0.174 3.786 3.960 0.001 0.000 0.217 151 G C 0.011 174.911 174.900 -0.001 0.000 1.001 151 G CA -0.386 44.709 45.100 -0.008 0.000 0.627 151 G HN 0.487 nan 8.290 nan 0.000 0.501 152 D N 0.970 121.373 120.400 0.005 0.000 2.382 152 D HA 0.494 5.135 4.640 0.001 0.000 0.240 152 D C 1.068 177.380 176.300 0.020 0.000 1.146 152 D CA 0.155 54.167 54.000 0.019 0.000 0.897 152 D CB 0.831 41.644 40.800 0.023 0.000 1.197 152 D HN 0.361 nan 8.370 nan 0.000 0.432 153 L N 1.302 122.560 121.223 0.058 0.000 2.343 153 L HA 0.391 4.732 4.340 0.001 0.000 0.275 153 L C 0.047 176.967 176.870 0.084 0.000 1.056 153 L CA -0.809 54.061 54.840 0.051 0.000 0.804 153 L CB 0.817 42.952 42.059 0.126 0.000 1.203 153 L HN 0.088 nan 8.230 nan 0.000 0.440 154 L N 2.905 124.102 121.223 -0.043 0.000 2.287 154 L HA 0.454 4.795 4.340 0.001 0.000 0.287 154 L C -1.058 175.739 176.870 -0.121 0.000 1.022 154 L CA -0.404 54.420 54.840 -0.025 0.000 0.814 154 L CB 0.967 42.979 42.059 -0.078 0.000 1.217 154 L HN 0.442 nan 8.230 nan 0.000 0.420 155 Y N 3.193 123.472 120.300 -0.034 0.000 2.524 155 Y HA 0.564 5.115 4.550 0.002 0.000 0.344 155 Y C -0.205 175.704 175.900 0.016 0.000 1.012 155 Y CA -0.776 57.317 58.100 -0.012 0.000 1.068 155 Y CB 2.252 40.719 38.460 0.011 0.000 1.249 155 Y HN 0.328 nan 8.280 nan 0.000 0.468 156 L N 3.003 124.341 121.223 0.192 0.000 2.305 156 L HA 0.747 5.088 4.340 0.001 0.000 0.284 156 L C -0.244 176.868 176.870 0.404 0.000 1.013 156 L CA -0.862 54.050 54.840 0.119 0.000 0.819 156 L CB 1.373 43.162 42.059 -0.449 0.000 1.227 156 L HN 0.692 nan 8.230 nan 0.000 0.417 157 A N 2.518 125.645 122.820 0.511 0.000 2.295 157 A HA 0.890 5.211 4.320 0.001 0.000 0.318 157 A C 0.469 178.346 177.584 0.488 0.000 1.134 157 A CA 0.308 52.596 52.037 0.418 0.000 0.827 157 A CB 1.084 20.244 19.000 0.265 0.000 1.136 157 A HN 0.965 nan 8.150 nan 0.000 0.493 158 G N 0.968 109.958 108.800 0.317 0.000 2.760 158 G HA2 0.083 4.043 3.960 0.001 0.000 0.246 158 G HA3 0.083 4.043 3.960 0.001 0.000 0.246 158 G C -0.374 174.676 174.900 0.251 0.000 1.359 158 G CA 0.512 45.725 45.100 0.189 0.000 0.861 158 G HN 1.780 nan 8.290 nan 0.000 0.541 159 D N -2.097 118.335 120.400 0.054 0.000 2.620 159 D HA 0.183 4.823 4.640 0.001 0.000 0.260 159 D C 1.362 177.636 176.300 -0.042 0.000 1.367 159 D CA -0.266 53.764 54.000 0.050 0.000 0.805 159 D CB 0.065 40.749 40.800 -0.194 0.000 1.096 159 D HN 0.520 nan 8.370 nan 0.000 0.488 160 R N -0.293 120.082 120.500 -0.208 0.000 2.310 160 R HA 0.148 4.489 4.340 0.001 0.000 0.202 160 R C -0.224 176.018 176.300 -0.097 0.000 0.933 160 R CA -0.254 55.739 56.100 -0.178 0.000 1.054 160 R CB 0.030 30.184 30.300 -0.244 0.000 0.985 160 R HN 0.165 nan 8.270 nan 0.000 0.489 161 W N 1.279 122.690 121.300 0.185 0.000 2.443 161 W HA 0.005 4.666 4.660 0.002 0.000 0.335 161 W C 1.505 178.060 176.519 0.060 0.000 1.382 161 W CA 1.097 58.489 57.345 0.079 0.000 1.305 161 W CB 0.121 29.574 29.460 -0.012 0.000 1.283 161 W HN 0.329 nan 8.180 nan 0.000 0.567 162 G N 1.799 110.719 108.800 0.200 0.000 2.347 162 G HA2 -0.416 3.544 3.960 0.001 0.000 0.247 162 G HA3 -0.416 3.544 3.960 0.001 0.000 0.247 162 G C 1.460 176.394 174.900 0.056 0.000 1.037 162 G CA 0.658 45.818 45.100 0.100 0.000 0.622 162 G HN 0.546 nan 8.290 nan 0.000 0.521 163 R N 0.310 120.854 120.500 0.072 0.000 2.075 163 R HA 0.054 4.395 4.340 0.001 0.000 0.226 163 R C 3.053 179.308 176.300 -0.075 0.000 1.114 163 R CA 2.057 58.148 56.100 -0.015 0.000 0.972 163 R CB -0.623 29.684 30.300 0.011 0.000 0.869 163 R HN 0.633 nan 8.270 nan 0.000 0.437 164 T N -1.790 112.730 114.554 -0.056 0.000 2.821 164 T HA -0.069 4.282 4.350 0.001 0.000 0.267 164 T C 2.131 176.793 174.700 -0.064 0.000 1.046 164 T CA 1.213 63.274 62.100 -0.066 0.000 1.139 164 T CB -0.576 68.250 68.868 -0.071 0.000 0.871 164 T HN 0.331 nan 8.240 nan 0.000 0.454 165 G N 1.212 109.988 108.800 -0.041 0.000 2.408 165 G HA2 0.100 4.060 3.960 0.001 0.000 0.217 165 G HA3 0.100 4.060 3.960 0.001 0.000 0.217 165 G C 1.893 176.768 174.900 -0.040 0.000 1.150 165 G CA 0.741 45.830 45.100 -0.017 0.000 0.776 165 G HN 0.730 nan 8.290 nan 0.000 0.542 166 A N 1.219 123.963 122.820 -0.125 0.000 1.898 166 A HA 0.297 4.618 4.320 0.001 0.000 0.216 166 A C 2.819 180.129 177.584 -0.455 0.000 1.181 166 A CA 2.162 53.983 52.037 -0.360 0.000 0.620 166 A CB -0.791 17.843 19.000 -0.610 0.000 0.819 166 A HN 0.737 nan 8.150 nan 0.000 0.442 167 A N 0.040 122.686 122.820 -0.290 0.000 1.902 167 A HA -0.105 4.215 4.320 0.001 0.000 0.217 167 A C 2.119 179.683 177.584 -0.034 0.000 1.181 167 A CA 1.592 53.528 52.037 -0.169 0.000 0.623 167 A CB -0.639 18.311 19.000 -0.083 0.000 0.818 167 A HN 0.503 nan 8.150 nan 0.000 0.443 168 I N -1.044 119.515 120.570 -0.017 0.000 2.226 168 I HA -0.245 3.926 4.170 0.001 0.000 0.245 168 I C 2.660 178.866 176.117 0.148 0.000 1.100 168 I CA 1.725 63.056 61.300 0.052 0.000 1.374 168 I CB -0.259 37.746 38.000 0.009 0.000 1.057 168 I HN 0.293 nan 8.210 nan 0.000 0.413 169 R N 1.762 122.338 120.500 0.127 0.000 2.081 169 R HA -0.115 4.225 4.340 0.001 0.000 0.235 169 R C 2.164 178.662 176.300 0.330 0.000 1.131 169 R CA 1.850 58.092 56.100 0.237 0.000 0.960 169 R CB -0.762 29.707 30.300 0.281 0.000 0.856 169 R HN 0.344 nan 8.270 nan 0.000 0.436 170 A N -0.490 122.496 122.820 0.277 0.000 1.902 170 A HA -0.224 4.097 4.320 0.001 0.000 0.217 170 A C 2.156 179.878 177.584 0.230 0.000 1.181 170 A CA 1.927 54.145 52.037 0.302 0.000 0.623 170 A CB -1.010 18.064 19.000 0.124 0.000 0.818 170 A HN 0.690 nan 8.150 nan 0.000 0.443 171 H N -2.259 116.888 119.070 0.128 0.000 2.353 171 H HA -0.219 4.337 4.556 0.001 0.000 0.300 171 H C 1.856 177.267 175.328 0.138 0.000 1.090 171 H CA 2.286 58.400 56.048 0.110 0.000 1.327 171 H CB -0.451 29.358 29.762 0.078 0.000 1.383 171 H HN 0.552 nan 8.280 nan 0.000 0.508 172 Y N 1.494 121.816 120.300 0.037 0.000 2.145 172 Y HA -0.141 4.409 4.550 0.001 0.000 0.286 172 Y C 1.850 177.726 175.900 -0.041 0.000 1.145 172 Y CA 2.088 60.178 58.100 -0.018 0.000 1.148 172 Y CB -0.070 38.426 38.460 0.059 0.000 0.981 172 Y HN 0.395 nan 8.280 nan 0.000 0.507 173 E N -0.503 119.707 120.200 0.017 0.000 2.502 173 E HA 0.125 4.476 4.350 0.001 0.000 0.194 173 E C 1.261 177.817 176.600 -0.073 0.000 1.062 173 E CA 0.442 56.796 56.400 -0.075 0.000 0.867 173 E CB -0.182 29.558 29.700 0.067 0.000 0.888 173 E HN 0.629 nan 8.360 nan 0.000 0.510 174 G N 2.739 111.494 108.800 -0.074 0.000 2.249 174 G HA2 -0.357 3.603 3.960 0.001 0.000 0.273 174 G HA3 -0.357 3.603 3.960 0.001 0.000 0.273 174 G C 0.089 175.003 174.900 0.024 0.000 1.036 174 G CA 0.503 45.571 45.100 -0.054 0.000 0.824 174 G HN 0.244 nan 8.290 nan 0.000 0.504 175 R N 0.181 120.732 120.500 0.085 0.000 2.368 175 R HA 0.555 4.896 4.340 0.001 0.000 0.302 175 R C 0.757 177.165 176.300 0.181 0.000 1.002 175 R CA 0.111 56.296 56.100 0.142 0.000 0.929 175 R CB 0.771 31.192 30.300 0.200 0.000 1.073 175 R HN 0.249 nan 8.270 nan 0.000 0.464 176 S N 3.345 119.149 115.700 0.173 0.000 2.564 176 S HA 0.109 4.580 4.470 0.001 0.000 0.278 176 S C 0.899 175.654 174.600 0.257 0.000 1.333 176 S CA -0.443 57.862 58.200 0.175 0.000 1.048 176 S CB 0.502 63.781 63.200 0.132 0.000 0.900 176 S HN 0.668 nan 8.310 nan 0.000 0.505 177 L N 3.081 124.428 121.223 0.206 0.000 2.685 177 L HA 0.297 4.637 4.340 0.001 0.000 0.233 177 L C 1.017 178.013 176.870 0.211 0.000 1.173 177 L CA 0.009 55.003 54.840 0.258 0.000 0.961 177 L CB -0.185 41.936 42.059 0.103 0.000 1.217 177 L HN 0.731 nan 8.230 nan 0.000 0.478 178 E N 0.894 121.174 120.200 0.134 0.000 2.328 178 E HA 0.210 4.561 4.350 0.001 0.000 0.265 178 E C 1.031 177.585 176.600 -0.076 0.000 1.057 178 E CA 0.802 57.217 56.400 0.024 0.000 0.916 178 E CB 0.354 30.064 29.700 0.017 0.000 0.993 178 E HN 0.355 nan 8.360 nan 0.000 0.446 179 G N 4.169 112.866 108.800 -0.171 0.000 2.201 179 G HA2 -0.231 3.729 3.960 0.001 0.000 0.212 179 G HA3 -0.231 3.729 3.960 0.001 0.000 0.212 179 G C -0.072 174.462 174.900 -0.609 0.000 0.994 179 G CA -0.084 44.775 45.100 -0.401 0.000 0.644 179 G HN 0.504 nan 8.290 nan 0.000 0.508 180 F N 1.475 121.421 119.950 -0.006 0.000 2.542 180 F HA 0.381 4.909 4.527 0.001 0.000 0.323 180 F C -0.849 174.905 175.800 -0.076 0.000 1.411 180 F CA -1.804 56.182 58.000 -0.024 0.000 1.124 180 F CB 1.425 40.412 39.000 -0.021 0.000 1.331 180 F HN -0.048 nan 8.300 nan 0.000 0.560 181 P HA -0.181 nan 4.420 nan 0.000 0.218 181 P C 1.062 178.335 177.300 -0.044 0.000 1.149 181 P CA 1.499 64.575 63.100 -0.040 0.000 0.817 181 P CB 0.394 32.061 31.700 -0.056 0.000 0.785 182 K N -0.596 119.800 120.400 -0.007 0.000 2.167 182 K HA 0.055 4.375 4.320 0.001 0.000 0.203 182 K C 2.323 178.901 176.600 -0.036 0.000 1.052 182 K CA 0.751 57.021 56.287 -0.028 0.000 0.956 182 K CB -0.286 32.195 32.500 -0.031 0.000 0.735 182 K HN 0.184 nan 8.250 nan 0.000 0.451 183 I N 0.888 121.447 120.570 -0.019 0.000 2.286 183 I HA -0.236 3.935 4.170 0.001 0.000 0.245 183 I C 2.713 178.777 176.117 -0.089 0.000 1.104 183 I CA 0.946 62.201 61.300 -0.075 0.000 1.397 183 I CB -0.161 37.743 38.000 -0.160 0.000 1.072 183 I HN 0.147 nan 8.210 nan 0.000 0.417 184 R N 1.253 121.685 120.500 -0.113 0.000 2.081 184 R HA -0.242 4.099 4.340 0.001 0.000 0.235 184 R C 2.220 178.382 176.300 -0.229 0.000 1.131 184 R CA 1.965 57.921 56.100 -0.240 0.000 0.960 184 R CB -0.260 29.789 30.300 -0.419 0.000 0.856 184 R HN 0.384 nan 8.270 nan 0.000 0.436 185 E N -0.082 120.028 120.200 -0.150 0.000 2.153 185 E HA -0.177 4.173 4.350 0.001 0.000 0.194 185 E C 1.671 178.273 176.600 0.003 0.000 0.988 185 E CA 1.121 57.493 56.400 -0.045 0.000 0.811 185 E CB -0.097 29.596 29.700 -0.011 0.000 0.746 185 E HN 0.489 nan 8.360 nan 0.000 0.466 186 A N 0.782 123.591 122.820 -0.019 0.000 2.019 186 A HA -0.020 4.301 4.320 0.001 0.000 0.219 186 A C 2.238 179.823 177.584 0.001 0.000 1.164 186 A CA 1.606 53.635 52.037 -0.014 0.000 0.644 186 A CB -0.397 18.578 19.000 -0.041 0.000 0.805 186 A HN 0.416 nan 8.150 nan 0.000 0.449 187 A N -1.633 121.205 122.820 0.031 0.000 1.924 187 A HA 0.342 4.663 4.320 0.001 0.000 0.211 187 A C 1.792 179.380 177.584 0.006 0.000 1.198 187 A CA 0.819 52.879 52.037 0.038 0.000 0.657 187 A CB -0.413 18.642 19.000 0.091 0.000 0.852 187 A HN 0.358 nan 8.150 nan 0.000 0.454 188 F N -1.341 118.399 119.950 -0.351 0.000 2.149 188 F HA 0.072 4.600 4.527 0.001 0.000 0.294 188 F C 0.507 175.700 175.800 -1.012 0.000 1.095 188 F CA 0.739 58.311 58.000 -0.712 0.000 1.276 188 F CB -0.367 38.100 39.000 -0.889 0.000 1.023 188 F HN 0.232 nan 8.300 nan 0.000 0.480 189 Y N 0.259 120.528 120.300 -0.051 0.000 2.470 189 Y HA 0.323 4.874 4.550 0.001 0.000 0.352 189 Y C -2.392 173.512 175.900 0.007 0.000 0.967 189 Y CA -3.591 54.300 58.100 -0.348 0.000 1.121 189 Y CB -0.596 37.526 38.460 -0.562 0.000 1.149 189 Y HN -0.156 nan 8.280 nan 0.000 0.641 190 P HA -0.011 nan 4.420 nan 0.000 0.263 190 P C -0.082 177.372 177.300 0.256 0.000 1.345 190 P CA 0.396 63.597 63.100 0.167 0.000 1.119 190 P CB 0.412 32.169 31.700 0.095 0.000 1.363 191 L N 6.239 127.604 121.223 0.236 0.000 2.584 191 L HA 0.052 4.392 4.340 0.001 0.000 0.272 191 L C -1.219 175.700 176.870 0.082 0.000 1.195 191 L CA -1.371 53.595 54.840 0.211 0.000 0.920 191 L CB -0.520 41.625 42.059 0.144 0.000 1.173 191 L HN 0.190 nan 8.230 nan 0.000 0.489 192 P HA 0.029 nan 4.420 nan 0.000 0.271 192 P C -0.581 176.722 177.300 0.005 0.000 1.220 192 P CA -0.264 62.821 63.100 -0.025 0.000 0.768 192 P CB 0.567 32.211 31.700 -0.094 0.000 0.848 193 R N 3.423 123.933 120.500 0.017 0.000 2.891 193 R HA 0.187 4.528 4.340 0.001 0.000 0.248 193 R C 1.580 177.894 176.300 0.023 0.000 1.439 193 R CA -0.267 55.848 56.100 0.025 0.000 1.288 193 R CB -0.751 29.570 30.300 0.035 0.000 1.212 193 R HN 0.560 nan 8.270 nan 0.000 0.605 194 L N 1.750 122.982 121.223 0.014 0.000 2.127 194 L HA -0.207 4.133 4.340 0.001 0.000 0.211 194 L C 1.252 178.128 176.870 0.010 0.000 1.089 194 L CA 1.319 56.164 54.840 0.009 0.000 0.757 194 L CB 0.038 42.098 42.059 0.001 0.000 0.899 194 L HN 0.523 nan 8.230 nan 0.000 0.434 195 E N -0.072 120.138 120.200 0.016 0.000 2.331 195 E HA -0.205 4.145 4.350 0.001 0.000 0.199 195 E C 2.086 178.697 176.600 0.019 0.000 1.008 195 E CA 0.671 57.081 56.400 0.017 0.000 0.843 195 E CB -0.279 29.435 29.700 0.023 0.000 0.761 195 E HN 0.441 nan 8.360 nan 0.000 0.507 196 L N -0.022 121.216 121.223 0.025 0.000 2.129 196 L HA -0.209 4.132 4.340 0.001 0.000 0.212 196 L C 1.975 178.852 176.870 0.012 0.000 1.087 196 L CA 0.923 55.780 54.840 0.028 0.000 0.757 196 L CB -0.376 41.706 42.059 0.038 0.000 0.896 196 L HN 0.240 nan 8.230 nan 0.000 0.434 197 L N -0.627 120.598 121.223 0.004 0.000 2.349 197 L HA -0.191 4.149 4.340 0.001 0.000 0.220 197 L C 2.719 179.584 176.870 -0.008 0.000 1.130 197 L CA 0.718 55.553 54.840 -0.007 0.000 0.791 197 L CB -0.784 41.266 42.059 -0.016 0.000 0.918 197 L HN 0.264 nan 8.230 nan 0.000 0.444 198 A N 0.097 122.915 122.820 -0.003 0.000 2.070 198 A HA -0.087 4.234 4.320 0.001 0.000 0.220 198 A C 2.008 179.586 177.584 -0.010 0.000 1.159 198 A CA 1.097 53.131 52.037 -0.005 0.000 0.656 198 A CB -0.411 18.588 19.000 -0.002 0.000 0.800 198 A HN 0.453 nan 8.150 nan 0.000 0.453 199 L N -0.124 121.093 121.223 -0.010 0.000 2.629 199 L HA 0.117 4.458 4.340 0.001 0.000 0.230 199 L C 1.026 177.888 176.870 -0.012 0.000 1.151 199 L CA -0.304 54.526 54.840 -0.017 0.000 0.924 199 L CB -0.143 41.903 42.059 -0.021 0.000 1.137 199 L HN 0.280 nan 8.230 nan 0.000 0.457 200 S N 0.464 116.158 115.700 -0.009 0.000 2.546 200 S HA 0.228 4.699 4.470 0.001 0.000 0.290 200 S C 1.411 176.010 174.600 -0.002 0.000 1.290 200 S CA 0.827 59.022 58.200 -0.007 0.000 1.069 200 S CB 0.402 63.595 63.200 -0.012 0.000 0.846 200 S HN 0.693 nan 8.310 nan 0.000 0.495 201 G N 3.486 112.289 108.800 0.005 0.000 2.184 201 G HA2 -0.215 3.745 3.960 0.001 0.000 0.264 201 G HA3 -0.215 3.745 3.960 0.001 0.000 0.264 201 G C 0.502 175.405 174.900 0.005 0.000 0.975 201 G CA 0.624 45.730 45.100 0.011 0.000 0.642 201 G HN 0.705 nan 8.290 nan 0.000 0.536 202 L N -0.711 120.509 121.223 -0.004 0.000 2.575 202 L HA 0.438 4.779 4.340 0.001 0.000 0.228 202 L C 1.389 178.251 176.870 -0.013 0.000 1.075 202 L CA 0.017 54.850 54.840 -0.012 0.000 0.867 202 L CB 0.030 42.073 42.059 -0.027 0.000 1.097 202 L HN 0.142 nan 8.230 nan 0.000 0.485 203 L N -0.680 120.539 121.223 -0.007 0.000 2.375 203 L HA 0.338 4.678 4.340 0.001 0.000 0.268 203 L C 1.235 178.113 176.870 0.014 0.000 1.058 203 L CA -0.420 54.419 54.840 -0.001 0.000 0.803 203 L CB 1.193 43.253 42.059 0.001 0.000 1.212 203 L HN -0.099 nan 8.230 nan 0.000 0.451 204 R N 0.649 121.160 120.500 0.019 0.000 2.075 204 R HA 0.209 4.550 4.340 0.001 0.000 0.226 204 R C 0.415 176.734 176.300 0.031 0.000 1.114 204 R CA 1.091 57.206 56.100 0.025 0.000 0.972 204 R CB 0.140 30.455 30.300 0.026 0.000 0.869 204 R HN 0.870 nan 8.270 nan 0.000 0.437 205 G N -1.930 106.890 108.800 0.033 0.000 2.548 205 G HA2 0.455 4.415 3.960 0.001 0.000 0.301 205 G HA3 0.455 4.415 3.960 0.001 0.000 0.301 205 G C -1.537 173.389 174.900 0.043 0.000 1.349 205 G CA -0.130 44.991 45.100 0.036 0.000 0.792 205 G HN 0.371 nan 8.290 nan 0.000 0.481 206 S N -1.680 114.048 115.700 0.047 0.000 2.587 206 S HA 0.805 5.275 4.470 0.001 0.000 0.269 206 S C -1.989 172.647 174.600 0.060 0.000 1.154 206 S CA -0.778 57.458 58.200 0.060 0.000 0.824 206 S CB 1.748 64.987 63.200 0.064 0.000 1.118 206 S HN 1.078 nan 8.310 nan 0.000 0.462 207 L N 1.326 122.594 121.223 0.076 0.000 2.472 207 L HA 0.634 4.975 4.340 0.001 0.000 0.260 207 L C -1.280 175.649 176.870 0.097 0.000 0.963 207 L CA -0.262 54.622 54.840 0.074 0.000 0.829 207 L CB 2.067 44.164 42.059 0.063 0.000 1.348 207 L HN 0.902 nan 8.230 nan 0.000 0.408 208 D N 0.123 120.575 120.400 0.086 0.000 2.177 208 D HA 0.352 4.993 4.640 0.001 0.000 0.247 208 D C -0.487 175.834 176.300 0.036 0.000 1.063 208 D CA 0.019 54.072 54.000 0.088 0.000 0.867 208 D CB 1.683 42.552 40.800 0.114 0.000 1.168 208 D HN 0.351 nan 8.370 nan 0.000 0.445 209 S N 1.876 117.584 115.700 0.014 0.000 2.642 209 S HA 0.222 4.692 4.470 0.001 0.000 0.309 209 S C 0.895 175.297 174.600 -0.331 0.000 1.125 209 S CA -0.253 57.918 58.200 -0.047 0.000 1.055 209 S CB -0.292 62.992 63.200 0.141 0.000 1.157 209 S HN 0.464 nan 8.310 nan 0.000 0.513 210 S N 2.567 118.027 115.700 -0.401 0.000 2.497 210 S HA 0.197 4.668 4.470 0.001 0.000 0.218 210 S C 0.515 174.832 174.600 -0.471 0.000 1.023 210 S CA -0.160 57.540 58.200 -0.835 0.000 0.913 210 S CB 0.116 62.961 63.200 -0.593 0.000 0.800 210 S HN 0.647 nan 8.310 nan 0.000 0.505 211 D N 1.605 121.873 120.400 -0.221 0.000 2.501 211 D HA 0.413 5.054 4.640 0.001 0.000 0.224 211 D C 0.559 176.827 176.300 -0.053 0.000 1.202 211 D CA 0.411 54.345 54.000 -0.110 0.000 0.829 211 D CB 0.809 41.580 40.800 -0.047 0.000 1.023 211 D HN 0.573 nan 8.370 nan 0.000 0.499 212 G N 1.142 109.906 108.800 -0.060 0.000 2.885 212 G HA2 -0.180 3.781 3.960 0.001 0.000 0.685 212 G HA3 -0.180 3.781 3.960 0.001 0.000 0.685 212 G C 0.165 175.080 174.900 0.024 0.000 1.216 212 G CA -0.705 44.392 45.100 -0.006 0.000 0.790 212 G HN 0.071 nan 8.290 nan 0.000 0.631 213 L N 2.296 123.546 121.223 0.046 0.000 2.017 213 L HA 0.223 4.564 4.340 0.001 0.000 0.208 213 L C 3.027 179.869 176.870 -0.046 0.000 1.073 213 L CA 3.609 58.477 54.840 0.046 0.000 0.745 213 L CB -0.906 41.165 42.059 0.020 0.000 0.894 213 L HN 1.500 nan 8.230 nan 0.000 0.432 214 A N -0.670 122.064 122.820 -0.143 0.000 1.883 214 A HA -0.269 4.051 4.320 0.001 0.000 0.217 214 A C 2.244 179.916 177.584 0.147 0.000 1.186 214 A CA 1.804 53.797 52.037 -0.073 0.000 0.624 214 A CB -0.805 18.044 19.000 -0.251 0.000 0.822 214 A HN 0.569 nan 8.150 nan 0.000 0.444 215 E N -0.014 120.259 120.200 0.122 0.000 2.085 215 E HA -0.147 4.204 4.350 0.001 0.000 0.194 215 E C 1.938 178.623 176.600 0.143 0.000 0.994 215 E CA 2.288 58.781 56.400 0.156 0.000 0.801 215 E CB -0.830 28.923 29.700 0.087 0.000 0.743 215 E HN 0.497 nan 8.360 nan 0.000 0.453 216 T N 0.933 115.536 114.554 0.082 0.000 2.746 216 T HA -0.082 4.269 4.350 0.001 0.000 0.267 216 T C 1.845 176.572 174.700 0.045 0.000 1.039 216 T CA 1.364 63.503 62.100 0.065 0.000 1.142 216 T CB -0.259 68.650 68.868 0.069 0.000 0.866 216 T HN 0.135 nan 8.240 nan 0.000 0.444 217 L N -1.224 120.000 121.223 0.003 0.000 2.141 217 L HA -0.041 4.300 4.340 0.001 0.000 0.209 217 L C 2.336 179.113 176.870 -0.154 0.000 1.094 217 L CA 1.204 55.982 54.840 -0.104 0.000 0.763 217 L CB -0.433 41.511 42.059 -0.191 0.000 0.908 217 L HN 0.346 nan 8.230 nan 0.000 0.437 218 W N 0.247 121.523 121.300 -0.040 0.000 2.436 218 W HA -0.117 4.542 4.660 -0.001 0.000 0.284 218 W C 2.707 179.213 176.519 -0.021 0.000 1.225 218 W CA 0.650 57.974 57.345 -0.036 0.000 1.271 218 W CB -0.012 29.429 29.460 -0.031 0.000 1.114 218 W HN 0.145 nan 8.180 nan 0.000 0.559 219 Q N -0.364 119.547 119.800 0.186 0.000 2.119 219 Q HA -0.202 4.139 4.340 0.001 0.000 0.201 219 Q C 2.154 178.192 176.000 0.062 0.000 0.972 219 Q CA 1.349 57.221 55.803 0.114 0.000 0.847 219 Q CB -0.534 28.252 28.738 0.081 0.000 0.903 219 Q HN 0.250 nan 8.270 nan 0.000 0.433 220 L N 0.518 121.754 121.223 0.022 0.000 2.027 220 L HA -0.056 4.285 4.340 0.001 0.000 0.206 220 L C 2.110 178.962 176.870 -0.029 0.000 1.074 220 L CA 2.133 56.966 54.840 -0.010 0.000 0.745 220 L CB -0.868 41.167 42.059 -0.039 0.000 0.898 220 L HN 0.085 nan 8.230 nan 0.000 0.433 221 A N -0.907 121.864 122.820 -0.081 0.000 1.972 221 A HA -0.195 4.126 4.320 0.001 0.000 0.219 221 A C 1.863 179.454 177.584 0.012 0.000 1.169 221 A CA 1.674 53.648 52.037 -0.105 0.000 0.635 221 A CB -0.843 17.961 19.000 -0.328 0.000 0.810 221 A HN 0.538 nan 8.150 nan 0.000 0.446 222 D N -0.142 120.306 120.400 0.080 0.000 2.378 222 D HA -0.034 4.606 4.640 0.001 0.000 0.222 222 D C 1.454 177.788 176.300 0.056 0.000 0.980 222 D CA 0.511 54.571 54.000 0.100 0.000 0.907 222 D CB -0.175 40.698 40.800 0.121 0.000 0.899 222 D HN 0.484 nan 8.370 nan 0.000 0.527 223 L N -0.849 120.395 121.223 0.035 0.000 2.552 223 L HA 0.137 4.477 4.340 0.001 0.000 0.227 223 L C 1.203 178.087 176.870 0.024 0.000 1.146 223 L CA 0.462 55.317 54.840 0.026 0.000 0.858 223 L CB -0.022 42.048 42.059 0.018 0.000 0.969 223 L HN 0.118 nan 8.230 nan 0.000 0.451 224 G N 0.585 109.400 108.800 0.026 0.000 2.237 224 G HA2 -0.094 3.867 3.960 0.001 0.000 0.153 224 G HA3 -0.094 3.867 3.960 0.001 0.000 0.153 224 G C -0.237 174.672 174.900 0.014 0.000 1.039 224 G CA -0.123 44.992 45.100 0.025 0.000 0.719 224 G HN 0.199 nan 8.290 nan 0.000 0.491 225 V N -3.069 116.846 119.914 0.002 0.000 3.202 225 V HA 1.034 5.155 4.120 0.001 0.000 0.306 225 V C 0.467 176.542 176.094 -0.032 0.000 1.283 225 V CA -0.346 61.948 62.300 -0.010 0.000 1.065 225 V CB 1.569 33.382 31.823 -0.016 0.000 1.079 225 V HN 1.491 nan 8.190 nan 0.000 0.448 226 G N -0.238 108.549 108.800 -0.020 0.000 2.410 226 G HA2 0.643 4.604 3.960 0.001 0.000 0.330 226 G HA3 0.643 4.604 3.960 0.001 0.000 0.330 226 G C -1.198 173.673 174.900 -0.049 0.000 1.142 226 G CA -0.782 44.310 45.100 -0.013 0.000 0.902 226 G HN 1.175 nan 8.290 nan 0.000 0.491 227 V N 1.423 121.285 119.914 -0.087 0.000 2.483 227 V HA 0.365 4.486 4.120 0.001 0.000 0.297 227 V C -0.507 175.571 176.094 -0.027 0.000 1.027 227 V CA -0.738 61.496 62.300 -0.109 0.000 0.855 227 V CB 1.598 33.283 31.823 -0.231 0.000 0.995 227 V HN 0.812 nan 8.190 nan 0.000 0.424 228 E N 3.721 123.908 120.200 -0.021 0.000 2.114 228 E HA 0.461 4.812 4.350 0.001 0.000 0.266 228 E C -1.132 175.439 176.600 -0.049 0.000 0.896 228 E CA -0.577 55.825 56.400 0.002 0.000 0.750 228 E CB 2.381 32.069 29.700 -0.021 0.000 1.121 228 E HN 0.445 nan 8.360 nan 0.000 0.413 229 V N 3.830 123.716 119.914 -0.048 0.000 2.406 229 V HA 0.044 4.165 4.120 0.001 0.000 0.272 229 V C 0.840 176.900 176.094 -0.056 0.000 1.043 229 V CA 0.010 62.265 62.300 -0.075 0.000 0.915 229 V CB 0.968 32.737 31.823 -0.090 0.000 0.988 229 V HN 0.743 nan 8.190 nan 0.000 0.466 230 E N 3.380 123.536 120.200 -0.074 0.000 2.307 230 E HA 0.465 4.816 4.350 0.001 0.000 0.195 230 E C 0.516 177.089 176.600 -0.045 0.000 0.975 230 E CA 0.618 56.979 56.400 -0.065 0.000 0.878 230 E CB 0.825 30.470 29.700 -0.093 0.000 0.845 230 E HN 0.776 nan 8.360 nan 0.000 0.488 231 A N 0.844 123.648 122.820 -0.027 0.000 2.604 231 A HA 0.670 4.991 4.320 0.001 0.000 0.295 231 A C -1.748 175.929 177.584 0.154 0.000 1.067 231 A CA -0.662 51.411 52.037 0.061 0.000 0.683 231 A CB 1.165 20.215 19.000 0.083 0.000 1.281 231 A HN 0.064 nan 8.150 nan 0.000 0.407 232 L N 1.775 123.041 121.223 0.070 0.000 2.422 232 L HA 0.594 4.934 4.340 0.001 0.000 0.264 232 L C -2.410 174.166 176.870 -0.489 0.000 0.984 232 L CA -1.945 52.789 54.840 -0.176 0.000 0.819 232 L CB 3.049 44.984 42.059 -0.206 0.000 1.330 232 L HN 0.576 nan 8.230 nan 0.000 0.410 233 P HA 0.232 nan 4.420 nan 0.000 0.281 233 P C -1.138 175.658 177.300 -0.840 0.000 1.286 233 P CA -0.135 62.293 63.100 -1.119 0.000 0.772 233 P CB 0.693 31.549 31.700 -1.407 0.000 0.862 234 L N 5.111 126.005 121.223 -0.548 0.000 2.335 234 L HA 0.322 4.662 4.340 0.001 0.000 0.268 234 L C 0.159 176.884 176.870 -0.242 0.000 1.037 234 L CA -1.137 53.488 54.840 -0.358 0.000 0.895 234 L CB -0.094 41.866 42.059 -0.164 0.000 1.266 234 L HN 0.282 nan 8.230 nan 0.000 0.439 235 Y N 2.888 123.180 120.300 -0.012 0.000 2.578 235 Y HA 0.046 4.597 4.550 0.002 0.000 0.339 235 Y C -1.145 174.782 175.900 0.046 0.000 1.231 235 Y CA -1.911 56.200 58.100 0.018 0.000 1.461 235 Y CB -0.166 38.312 38.460 0.030 0.000 1.323 235 Y HN 0.375 nan 8.280 nan 0.000 0.590 236 P HA -0.209 nan 4.420 nan 0.000 0.216 236 P C 1.042 178.463 177.300 0.201 0.000 1.153 236 P CA 2.193 65.393 63.100 0.167 0.000 0.858 236 P CB 0.201 31.983 31.700 0.137 0.000 0.789 237 D N -0.834 119.707 120.400 0.236 0.000 2.144 237 D HA -0.094 4.547 4.640 0.001 0.000 0.200 237 D C 1.827 178.289 176.300 0.270 0.000 0.978 237 D CA 1.014 55.209 54.000 0.326 0.000 0.833 237 D CB -1.172 39.824 40.800 0.327 0.000 0.961 237 D HN 0.059 nan 8.370 nan 0.000 0.470 238 V N 1.079 121.113 119.914 0.200 0.000 2.358 238 V HA -0.189 3.932 4.120 0.001 0.000 0.246 238 V C 2.855 179.038 176.094 0.148 0.000 1.047 238 V CA 1.045 63.428 62.300 0.138 0.000 1.035 238 V CB -0.570 31.325 31.823 0.119 0.000 0.658 238 V HN 0.153 nan 8.190 nan 0.000 0.452 239 L N 0.052 121.353 121.223 0.131 0.000 2.046 239 L HA -0.166 4.174 4.340 0.001 0.000 0.208 239 L C 2.730 179.674 176.870 0.124 0.000 1.077 239 L CA 1.620 56.521 54.840 0.101 0.000 0.747 239 L CB -0.743 41.364 42.059 0.080 0.000 0.896 239 L HN 0.363 nan 8.230 nan 0.000 0.432 240 A N -0.296 122.639 122.820 0.192 0.000 1.877 240 A HA -0.274 4.047 4.320 0.001 0.000 0.216 240 A C 2.168 179.895 177.584 0.238 0.000 1.186 240 A CA 1.613 53.795 52.037 0.242 0.000 0.620 240 A CB -0.855 18.364 19.000 0.364 0.000 0.822 240 A HN 0.403 nan 8.150 nan 0.000 0.443 241 F N 0.971 120.928 119.950 0.011 0.000 2.102 241 F HA -0.053 4.474 4.527 0.001 0.000 0.298 241 F C 2.504 178.236 175.800 -0.112 0.000 1.105 241 F CA 1.301 59.131 58.000 -0.283 0.000 1.239 241 F CB -0.439 38.135 39.000 -0.711 0.000 0.991 241 F HN 0.241 nan 8.300 nan 0.000 0.474 242 A N -0.332 122.484 122.820 -0.006 0.000 1.898 242 A HA 0.173 4.493 4.320 0.001 0.000 0.216 242 A C 2.221 179.745 177.584 -0.100 0.000 1.181 242 A CA 1.938 53.939 52.037 -0.059 0.000 0.620 242 A CB -1.458 17.578 19.000 0.061 0.000 0.819 242 A HN 1.104 nan 8.150 nan 0.000 0.442 243 G N -2.080 106.695 108.800 -0.042 0.000 2.232 243 G HA2 -0.112 3.849 3.960 0.001 0.000 0.226 243 G HA3 -0.112 3.849 3.960 0.001 0.000 0.226 243 G C 0.415 175.312 174.900 -0.005 0.000 0.996 243 G CA 0.807 45.889 45.100 -0.031 0.000 0.626 243 G HN 2.093 nan 8.290 nan 0.000 0.509 244 S N -1.416 114.286 115.700 0.002 0.000 2.611 244 S HA 0.644 5.115 4.470 0.001 0.000 0.268 244 S C 0.346 174.954 174.600 0.014 0.000 1.156 244 S CA 0.508 58.713 58.200 0.009 0.000 0.817 244 S CB 1.667 64.869 63.200 0.003 0.000 1.122 244 S HN 0.352 nan 8.310 nan 0.000 0.466 245 E N 0.561 120.768 120.200 0.012 0.000 2.051 245 E HA -0.144 4.206 4.350 0.001 0.000 0.192 245 E C 2.192 178.799 176.600 0.012 0.000 0.991 245 E CA 1.875 58.280 56.400 0.009 0.000 0.799 245 E CB -0.552 29.152 29.700 0.006 0.000 0.748 245 E HN 0.811 nan 8.360 nan 0.000 0.449 246 E N 0.781 120.990 120.200 0.015 0.000 2.023 246 E HA -0.197 4.154 4.350 0.001 0.000 0.196 246 E C 2.004 178.623 176.600 0.032 0.000 1.003 246 E CA 1.708 58.121 56.400 0.023 0.000 0.809 246 E CB -1.118 28.593 29.700 0.019 0.000 0.755 246 E HN 0.483 nan 8.360 nan 0.000 0.449 247 A N 0.784 123.619 122.820 0.025 0.000 1.940 247 A HA 0.218 4.539 4.320 0.001 0.000 0.219 247 A C 2.800 180.414 177.584 0.051 0.000 1.176 247 A CA 2.640 54.697 52.037 0.033 0.000 0.631 247 A CB -0.703 18.302 19.000 0.010 0.000 0.814 247 A HN 1.048 nan 8.150 nan 0.000 0.446 248 A N -0.393 122.451 122.820 0.040 0.000 1.898 248 A HA 0.016 4.337 4.320 0.001 0.000 0.216 248 A C 2.146 179.743 177.584 0.023 0.000 1.181 248 A CA 1.373 53.434 52.037 0.040 0.000 0.620 248 A CB -0.560 18.453 19.000 0.022 0.000 0.819 248 A HN 0.457 nan 8.150 nan 0.000 0.442 249 L N -0.523 120.708 121.223 0.014 0.000 2.083 249 L HA -0.196 4.145 4.340 0.001 0.000 0.209 249 L C 2.711 179.607 176.870 0.042 0.000 1.083 249 L CA 1.666 56.507 54.840 0.002 0.000 0.752 249 L CB -0.374 41.689 42.059 0.006 0.000 0.899 249 L HN 0.569 nan 8.230 nan 0.000 0.433 250 E N 0.662 120.921 120.200 0.099 0.000 2.110 250 E HA -0.218 4.133 4.350 0.001 0.000 0.193 250 E C 2.275 178.976 176.600 0.168 0.000 0.988 250 E CA 1.161 57.681 56.400 0.199 0.000 0.804 250 E CB 0.004 29.797 29.700 0.155 0.000 0.745 250 E HN 0.518 nan 8.360 nan 0.000 0.458 251 L N 0.335 121.620 121.223 0.104 0.000 2.093 251 L HA -0.136 4.205 4.340 0.001 0.000 0.208 251 L C 2.587 179.491 176.870 0.057 0.000 1.085 251 L CA 0.540 55.432 54.840 0.087 0.000 0.755 251 L CB -0.228 41.885 42.059 0.090 0.000 0.904 251 L HN 0.043 nan 8.230 nan 0.000 0.435 252 V N -0.094 119.836 119.914 0.026 0.000 2.379 252 V HA -0.212 3.909 4.120 0.001 0.000 0.245 252 V C 2.200 178.271 176.094 -0.038 0.000 1.044 252 V CA 1.427 63.732 62.300 0.009 0.000 1.036 252 V CB -0.128 31.657 31.823 -0.063 0.000 0.664 252 V HN 0.336 nan 8.190 nan 0.000 0.453 253 L N -1.812 119.325 121.223 -0.143 0.000 2.249 253 L HA 0.041 4.382 4.340 0.001 0.000 0.207 253 L C 1.026 177.543 176.870 -0.587 0.000 1.090 253 L CA 0.991 55.582 54.840 -0.415 0.000 0.802 253 L CB -0.018 41.658 42.059 -0.639 0.000 0.947 253 L HN 0.346 nan 8.230 nan 0.000 0.453 254 Y N -0.874 119.442 120.300 0.026 0.000 2.669 254 Y HA 0.362 4.912 4.550 0.001 0.000 0.302 254 Y C 1.301 177.201 175.900 -0.000 0.000 1.000 254 Y CA -0.430 57.676 58.100 0.011 0.000 1.222 254 Y CB 0.080 38.539 38.460 -0.001 0.000 1.209 254 Y HN -0.097 nan 8.280 nan 0.000 0.571 255 G N 0.073 108.919 108.800 0.077 0.000 2.655 255 G HA2 0.441 4.401 3.960 0.001 0.000 0.217 255 G HA3 0.441 4.401 3.960 0.001 0.000 0.217 255 G C 0.622 175.525 174.900 0.005 0.000 1.279 255 G CA 0.480 45.606 45.100 0.042 0.000 0.870 255 G HN 0.683 nan 8.290 nan 0.000 0.560 256 G N -1.548 107.235 108.800 -0.028 0.000 2.570 256 G HA2 0.267 4.228 3.960 0.001 0.000 0.686 256 G HA3 0.267 4.228 3.960 0.001 0.000 0.686 256 G C 0.103 174.919 174.900 -0.139 0.000 1.257 256 G CA 0.227 45.276 45.100 -0.085 0.000 0.846 256 G HN 0.997 nan 8.290 nan 0.000 0.627 257 E N -1.183 118.867 120.200 -0.250 0.000 3.286 257 E HA -0.210 4.140 4.350 0.001 0.000 0.292 257 E C 1.264 177.734 176.600 -0.216 0.000 0.928 257 E CA 1.888 58.136 56.400 -0.253 0.000 0.982 257 E CB -1.404 28.264 29.700 -0.054 0.000 1.500 257 E HN 0.803 nan 8.360 nan 0.000 0.441 258 E N -0.576 119.427 120.200 -0.329 0.000 2.072 258 E HA -0.001 4.349 4.350 0.001 0.000 0.191 258 E C 0.568 177.027 176.600 -0.234 0.000 0.985 258 E CA 0.815 57.020 56.400 -0.326 0.000 0.801 258 E CB -0.191 29.191 29.700 -0.530 0.000 0.750 258 E HN 0.343 nan 8.360 nan 0.000 0.452 259 F N 0.599 120.424 119.950 -0.210 0.000 3.039 259 F HA -0.233 4.295 4.527 0.002 0.000 0.287 259 F C -0.240 175.442 175.800 -0.197 0.000 0.956 259 F CA 0.642 58.552 58.000 -0.151 0.000 0.971 259 F CB -1.322 37.613 39.000 -0.108 0.000 0.943 259 F HN -0.037 nan 8.300 nan 0.000 0.766 260 E N 0.001 120.056 120.200 -0.242 0.000 2.288 260 E HA 0.791 5.142 4.350 0.001 0.000 0.268 260 E C -0.090 176.530 176.600 0.033 0.000 0.885 260 E CA -0.574 55.674 56.400 -0.254 0.000 0.767 260 E CB 2.085 31.242 29.700 -0.905 0.000 1.220 260 E HN 0.159 nan 8.360 nan 0.000 0.427 261 A N 1.810 124.749 122.820 0.198 0.000 2.327 261 A HA 0.440 4.760 4.320 0.001 0.000 0.283 261 A C -0.145 177.661 177.584 0.370 0.000 1.127 261 A CA -0.512 51.676 52.037 0.251 0.000 0.810 261 A CB 0.617 19.719 19.000 0.171 0.000 1.066 261 A HN 0.308 nan 8.150 nan 0.000 0.492 262 V N 3.865 123.941 119.914 0.269 0.000 2.370 262 V HA 0.320 4.441 4.120 0.001 0.000 0.279 262 V C -0.109 176.070 176.094 0.141 0.000 1.029 262 V CA -0.078 62.335 62.300 0.187 0.000 0.870 262 V CB 0.812 32.703 31.823 0.113 0.000 0.984 262 V HN 0.704 nan 8.190 nan 0.000 0.451 263 L N 5.505 126.816 121.223 0.147 0.000 2.317 263 L HA 0.635 4.975 4.340 0.001 0.000 0.281 263 L C -0.570 176.374 176.870 0.122 0.000 1.024 263 L CA -0.899 54.016 54.840 0.124 0.000 0.810 263 L CB 2.058 44.188 42.059 0.120 0.000 1.240 263 L HN 0.300 nan 8.230 nan 0.000 0.427 264 V N 3.897 123.861 119.914 0.083 0.000 2.328 264 V HA 0.336 4.457 4.120 0.001 0.000 0.278 264 V C -0.018 176.116 176.094 0.066 0.000 1.021 264 V CA -0.538 61.807 62.300 0.074 0.000 0.838 264 V CB 1.647 33.497 31.823 0.045 0.000 0.999 264 V HN 0.435 nan 8.190 nan 0.000 0.447 265 V N 7.414 127.387 119.914 0.098 0.000 2.459 265 V HA 0.423 4.544 4.120 0.001 0.000 0.295 265 V C -2.417 173.712 176.094 0.058 0.000 1.029 265 V CA -2.332 60.000 62.300 0.053 0.000 0.874 265 V CB 2.037 33.862 31.823 0.003 0.000 0.985 265 V HN 0.654 nan 8.190 nan 0.000 0.438 266 P HA 0.126 nan 4.420 nan 0.000 0.271 266 P C 0.734 178.052 177.300 0.030 0.000 1.216 266 P CA -0.078 63.036 63.100 0.024 0.000 0.771 266 P CB 0.609 32.317 31.700 0.012 0.000 0.864 267 Q N 2.772 122.590 119.800 0.030 0.000 2.096 267 Q HA -0.242 4.098 4.340 0.001 0.000 0.208 267 Q C 1.746 177.758 176.000 0.020 0.000 0.993 267 Q CA 1.890 57.711 55.803 0.030 0.000 0.862 267 Q CB -0.290 28.458 28.738 0.016 0.000 0.915 267 Q HN 0.629 nan 8.270 nan 0.000 0.416 268 E N -0.951 119.255 120.200 0.011 0.000 2.265 268 E HA -0.126 4.224 4.350 0.001 0.000 0.196 268 E C 1.528 178.128 176.600 0.000 0.000 0.996 268 E CA 1.474 57.877 56.400 0.005 0.000 0.832 268 E CB -0.278 29.423 29.700 0.003 0.000 0.756 268 E HN 0.328 nan 8.360 nan 0.000 0.491 269 G N 0.305 109.103 108.800 -0.003 0.000 3.159 269 G HA2 0.329 4.290 3.960 0.001 0.000 0.232 269 G HA3 0.329 4.290 3.960 0.001 0.000 0.232 269 G C 1.518 176.397 174.900 -0.034 0.000 1.116 269 G CA 0.304 45.394 45.100 -0.017 0.000 0.767 269 G HN 0.386 nan 8.290 nan 0.000 0.547 270 A N 1.500 124.309 122.820 -0.018 0.000 1.883 270 A HA 0.179 4.499 4.320 0.001 0.000 0.217 270 A C 2.769 180.328 177.584 -0.042 0.000 1.186 270 A CA 2.281 54.297 52.037 -0.035 0.000 0.624 270 A CB -0.742 18.307 19.000 0.082 0.000 0.822 270 A HN 0.727 nan 8.150 nan 0.000 0.444 271 A N -0.192 122.623 122.820 -0.009 0.000 1.883 271 A HA 0.103 4.423 4.320 0.001 0.000 0.217 271 A C 2.523 180.092 177.584 -0.025 0.000 1.186 271 A CA 2.347 54.380 52.037 -0.007 0.000 0.624 271 A CB -1.069 17.931 19.000 0.000 0.000 0.822 271 A HN 1.131 nan 8.150 nan 0.000 0.444 272 A N -0.786 122.016 122.820 -0.030 0.000 1.930 272 A HA 0.036 4.356 4.320 0.001 0.000 0.217 272 A C 2.242 179.794 177.584 -0.053 0.000 1.175 272 A CA 1.692 53.709 52.037 -0.033 0.000 0.627 272 A CB -0.878 18.105 19.000 -0.027 0.000 0.815 272 A HN 0.372 nan 8.150 nan 0.000 0.443 273 V N 0.272 120.133 119.914 -0.088 0.000 2.295 273 V HA -0.282 3.839 4.120 0.001 0.000 0.246 273 V C 2.438 178.452 176.094 -0.133 0.000 1.049 273 V CA 2.362 64.583 62.300 -0.132 0.000 1.024 273 V CB -0.821 30.865 31.823 -0.228 0.000 0.648 273 V HN 0.657 nan 8.190 nan 0.000 0.447 274 E N 0.193 120.312 120.200 -0.135 0.000 2.077 274 E HA -0.201 4.150 4.350 0.001 0.000 0.193 274 E C 2.301 178.885 176.600 -0.028 0.000 0.989 274 E CA 1.305 57.660 56.400 -0.074 0.000 0.800 274 E CB -0.333 29.356 29.700 -0.018 0.000 0.746 274 E HN 0.612 nan 8.360 nan 0.000 0.452 275 A N 1.605 124.410 122.820 -0.025 0.000 1.898 275 A HA -0.199 4.122 4.320 0.001 0.000 0.216 275 A C 2.138 179.716 177.584 -0.011 0.000 1.181 275 A CA 1.667 53.697 52.037 -0.010 0.000 0.620 275 A CB -0.378 18.617 19.000 -0.010 0.000 0.819 275 A HN 0.026 nan 8.150 nan 0.000 0.442 276 R N 0.267 120.754 120.500 -0.022 0.000 2.073 276 R HA -0.032 4.308 4.340 0.001 0.000 0.234 276 R C 2.163 178.456 176.300 -0.012 0.000 1.134 276 R CA 2.055 58.145 56.100 -0.018 0.000 0.952 276 R CB -0.953 29.331 30.300 -0.027 0.000 0.850 276 R HN 0.378 nan 8.270 nan 0.000 0.433 277 A N 0.341 123.150 122.820 -0.018 0.000 1.883 277 A HA -0.147 4.174 4.320 0.001 0.000 0.217 277 A C 2.444 180.038 177.584 0.017 0.000 1.186 277 A CA 2.703 54.740 52.037 0.000 0.000 0.624 277 A CB -1.122 17.877 19.000 -0.002 0.000 0.822 277 A HN 0.510 nan 8.150 nan 0.000 0.444 278 K N -0.543 119.868 120.400 0.017 0.000 2.057 278 K HA 0.133 4.454 4.320 0.001 0.000 0.207 278 K C 2.386 178.998 176.600 0.019 0.000 1.049 278 K CA 2.040 58.343 56.287 0.025 0.000 0.931 278 K CB -1.467 31.048 32.500 0.025 0.000 0.714 278 K HN 0.985 nan 8.250 nan 0.000 0.440 279 A N 0.962 123.788 122.820 0.011 0.000 1.972 279 A HA -0.093 4.227 4.320 0.001 0.000 0.219 279 A C 1.933 179.523 177.584 0.009 0.000 1.169 279 A CA 1.560 53.603 52.037 0.009 0.000 0.635 279 A CB 0.021 19.023 19.000 0.004 0.000 0.810 279 A HN 0.377 nan 8.150 nan 0.000 0.446 280 K N -1.237 119.169 120.400 0.010 0.000 2.372 280 K HA 0.233 4.553 4.320 0.001 0.000 0.200 280 K C 0.837 177.447 176.600 0.016 0.000 1.022 280 K CA 0.569 56.863 56.287 0.010 0.000 1.125 280 K CB -0.020 32.484 32.500 0.007 0.000 0.855 280 K HN 0.735 nan 8.250 nan 0.000 0.524 281 G N 2.019 110.831 108.800 0.021 0.000 2.182 281 G HA2 -0.249 3.712 3.960 0.001 0.000 0.248 281 G HA3 -0.249 3.712 3.960 0.001 0.000 0.248 281 G C -0.432 174.489 174.900 0.035 0.000 1.042 281 G CA 0.037 45.153 45.100 0.026 0.000 0.775 281 G HN 0.261 nan 8.290 nan 0.000 0.501 282 L N 1.145 122.393 121.223 0.042 0.000 2.276 282 L HA 0.684 5.024 4.340 0.001 0.000 0.286 282 L C -1.979 174.942 176.870 0.085 0.000 1.024 282 L CA -2.471 52.403 54.840 0.058 0.000 0.826 282 L CB 1.016 43.104 42.059 0.049 0.000 1.211 282 L HN -0.091 nan 8.230 nan 0.000 0.422 283 P HA 0.200 nan 4.420 nan 0.000 0.264 283 P C -1.364 176.060 177.300 0.207 0.000 1.193 283 P CA 0.012 63.203 63.100 0.151 0.000 0.763 283 P CB 0.716 32.507 31.700 0.151 0.000 0.810 284 L N 4.999 126.364 121.223 0.236 0.000 2.445 284 L HA 0.689 5.030 4.340 0.001 0.000 0.262 284 L C -1.647 175.458 176.870 0.392 0.000 0.974 284 L CA -0.692 54.322 54.840 0.289 0.000 0.822 284 L CB 1.599 43.767 42.059 0.181 0.000 1.339 284 L HN 0.208 nan 8.230 nan 0.000 0.409 285 F N 3.908 124.002 119.950 0.241 0.000 2.557 285 F HA 0.547 5.075 4.527 0.001 0.000 0.316 285 F C -0.422 175.353 175.800 -0.042 0.000 1.141 285 F CA -0.660 57.404 58.000 0.108 0.000 0.922 285 F CB 1.262 40.277 39.000 0.025 0.000 1.194 285 F HN 0.526 nan 8.300 nan 0.000 0.443 286 R N 4.579 124.575 120.500 -0.840 0.000 2.242 286 R HA 0.570 4.911 4.340 0.001 0.000 0.334 286 R C -0.046 175.691 176.300 -0.938 0.000 1.071 286 R CA 0.626 56.038 56.100 -1.146 0.000 0.922 286 R CB 0.955 30.650 30.300 -1.008 0.000 1.023 286 R HN 0.867 nan 8.270 nan 0.000 0.458 287 A N 3.275 125.777 122.820 -0.531 0.000 2.229 287 A HA 0.383 4.704 4.320 0.001 0.000 0.211 287 A C 0.716 178.172 177.584 -0.213 0.000 1.193 287 A CA 0.699 52.596 52.037 -0.233 0.000 0.879 287 A CB 0.629 19.593 19.000 -0.059 0.000 0.911 287 A HN 0.866 nan 8.150 nan 0.000 0.492 288 G N -0.430 108.215 108.800 -0.259 0.000 2.441 288 G HA2 0.474 4.434 3.960 0.001 0.000 0.225 288 G HA3 0.474 4.434 3.960 0.001 0.000 0.225 288 G C -1.233 173.572 174.900 -0.158 0.000 1.200 288 G CA -0.173 44.820 45.100 -0.179 0.000 0.947 288 G HN 0.890 nan 8.290 nan 0.000 0.484 289 R N -1.625 118.812 120.500 -0.106 0.000 2.716 289 R HA 0.722 5.063 4.340 0.001 0.000 0.271 289 R C -1.695 174.571 176.300 -0.057 0.000 1.028 289 R CA -0.896 55.158 56.100 -0.076 0.000 0.883 289 R CB 1.441 31.700 30.300 -0.068 0.000 1.250 289 R HN 0.553 nan 8.270 nan 0.000 0.465 290 V N 1.686 121.577 119.914 -0.039 0.000 2.481 290 V HA 0.550 4.671 4.120 0.001 0.000 0.286 290 V C 0.218 176.296 176.094 -0.027 0.000 1.042 290 V CA -0.405 61.875 62.300 -0.033 0.000 0.928 290 V CB 1.336 33.147 31.823 -0.020 0.000 0.986 290 V HN 0.633 nan 8.190 nan 0.000 0.462 291 V N 1.674 121.573 119.914 -0.024 0.000 3.141 291 V HA 1.002 5.123 4.120 0.001 0.000 0.312 291 V C 0.032 176.118 176.094 -0.012 0.000 1.157 291 V CA -1.068 61.219 62.300 -0.021 0.000 1.041 291 V CB 1.739 33.544 31.823 -0.030 0.000 1.071 291 V HN 1.035 nan 8.190 nan 0.000 0.441 292 A N 0.539 123.353 122.820 -0.010 0.000 2.371 292 A HA 0.903 5.224 4.320 0.001 0.000 0.257 292 A C 0.970 178.557 177.584 0.005 0.000 1.089 292 A CA 0.665 52.701 52.037 -0.002 0.000 0.794 292 A CB 0.025 19.023 19.000 -0.003 0.000 1.029 292 A HN 2.899 nan 8.150 nan 0.000 0.488 293 G N 0.909 109.718 108.800 0.016 0.000 2.348 293 G HA2 0.420 4.380 3.960 0.001 0.000 0.199 293 G HA3 0.420 4.380 3.960 0.001 0.000 0.199 293 G C -0.474 174.453 174.900 0.044 0.000 1.235 293 G CA 0.693 45.812 45.100 0.032 0.000 1.264 293 G HN 2.038 nan 8.290 nan 0.000 0.543 294 E N -1.054 119.191 120.200 0.076 0.000 2.437 294 E HA 0.704 5.055 4.350 0.001 0.000 0.280 294 E C 0.189 176.833 176.600 0.075 0.000 1.044 294 E CA 0.706 57.146 56.400 0.066 0.000 0.826 294 E CB 0.981 30.736 29.700 0.091 0.000 1.358 294 E HN 2.587 nan 8.360 nan 0.000 0.459 295 G N -0.971 107.769 108.800 -0.100 0.000 2.758 295 G HA2 0.136 4.096 3.960 0.001 0.000 0.686 295 G HA3 0.136 4.096 3.960 0.001 0.000 0.686 295 G C -0.949 173.449 174.900 -0.837 0.000 1.389 295 G CA -0.505 44.327 45.100 -0.446 0.000 0.845 295 G HN 1.022 nan 8.290 nan 0.000 0.572 296 V N 1.341 120.449 119.914 -1.344 0.000 2.513 296 V HA 0.760 4.881 4.120 0.001 0.000 0.299 296 V C -0.463 175.094 176.094 -0.895 0.000 1.035 296 V CA -0.602 61.092 62.300 -1.011 0.000 0.889 296 V CB 1.483 32.581 31.823 -1.208 0.000 0.988 296 V HN 0.734 nan 8.190 nan 0.000 0.440 297 Y N 3.869 124.063 120.300 -0.177 0.000 2.512 297 Y HA 0.688 5.238 4.550 0.000 0.000 0.348 297 Y C -0.470 175.383 175.900 -0.077 0.000 0.990 297 Y CA -1.009 57.042 58.100 -0.080 0.000 1.033 297 Y CB 2.048 40.469 38.460 -0.064 0.000 1.259 297 Y HN 0.496 nan 8.280 nan 0.000 0.461 298 L N 4.417 125.699 121.223 0.098 0.000 2.295 298 L HA 0.550 4.891 4.340 0.001 0.000 0.281 298 L C 0.115 177.015 176.870 0.050 0.000 1.018 298 L CA -0.621 54.241 54.840 0.037 0.000 0.841 298 L CB 0.327 42.396 42.059 0.017 0.000 1.218 298 L HN 0.730 nan 8.230 nan 0.000 0.424 299 R N 4.218 124.734 120.500 0.026 0.000 3.416 299 R HA -0.236 4.105 4.340 0.001 0.000 0.263 299 R C 1.012 177.323 176.300 0.019 0.000 1.053 299 R CA 0.703 56.809 56.100 0.010 0.000 0.705 299 R CB -2.062 28.240 30.300 0.003 0.000 1.124 299 R HN 1.246 nan 8.270 nan 0.000 0.444 300 G N -1.964 106.857 108.800 0.036 0.000 2.258 300 G HA2 -0.303 3.658 3.960 0.001 0.000 0.233 300 G HA3 -0.303 3.658 3.960 0.001 0.000 0.233 300 G C 0.170 175.132 174.900 0.103 0.000 1.006 300 G CA 0.135 45.238 45.100 0.005 0.000 0.620 300 G HN 0.903 nan 8.290 nan 0.000 0.511 301 A N 1.237 124.148 122.820 0.152 0.000 2.290 301 A HA 0.764 5.084 4.320 0.001 0.000 0.310 301 A C -2.087 175.647 177.584 0.249 0.000 1.202 301 A CA -1.284 50.862 52.037 0.181 0.000 0.837 301 A CB 0.757 19.819 19.000 0.104 0.000 1.139 301 A HN 0.119 nan 8.150 nan 0.000 0.509 302 P HA 0.086 nan 4.420 nan 0.000 0.262 302 P C -0.689 176.651 177.300 0.066 0.000 1.182 302 P CA 0.195 63.339 63.100 0.073 0.000 0.761 302 P CB 0.325 32.095 31.700 0.116 0.000 0.795 303 L N 7.258 128.498 121.223 0.029 0.000 2.262 303 L HA 0.480 4.821 4.340 0.001 0.000 0.288 303 L C -2.421 174.662 176.870 0.353 0.000 1.035 303 L CA -2.555 52.377 54.840 0.153 0.000 0.820 303 L CB 0.682 42.779 42.059 0.065 0.000 1.204 303 L HN 0.225 nan 8.230 nan 0.000 0.424 304 P HA 0.064 nan 4.420 nan 0.000 0.264 304 P C -0.602 176.857 177.300 0.264 0.000 1.183 304 P CA 0.034 63.246 63.100 0.187 0.000 0.763 304 P CB 0.438 32.193 31.700 0.092 0.000 0.807 305 R N 0.000 120.442 120.500 -0.097 0.000 2.786 305 R HA 0.000 4.341 4.340 0.001 0.000 0.208 305 R CA 0.000 55.973 56.100 -0.211 0.000 0.921 305 R CB 0.000 29.789 30.300 -0.851 0.000 0.687 305 R HN 0.000 nan 8.270 nan 0.000 0.535