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 2zvi_1_D DATA FIRST_RESID 11 DATA SEQUENCE SELLATYLLT EPGADTEKKA EQIATGXXXX XXXXXPLVKQ EQMQKHKGRV DATA SEQUENCE IKVEEREXXX XXXKQAVITI AYPEINFSQD IPALLTTVFG KLSLDGKIKL DATA SEQUENCE IDLHFSEAFK RALPGPKFGV YGIRKLLGEF ERPLLMSIFK GVIGRDLSDI DATA SEQUENCE KEQLRQQALG GVDLIKDDEI FFETGLAPFE TRIAEGKQIL KETYEQTGHK DATA SEQUENCE TLYAVNLTGR TADLKDKARR AAELGADALL FNVFAYGLDV MQGLAEDPEI DATA SEQUENCE PVPIMAHPAV SGAFTSSPFY GFSHALLLGK LNRYCGADFS LFPSPYGSVA DATA SEQUENCE LPRADALAIH EECVREDAFN QTFAVPSAGI HPGMVPLLMR DFGIDHIINA DATA SEQUENCE GGGVHGHPNG AQGGGRAFRA IIDAVLEAQP IDEKAEQCKD LKLALDKWGK DATA SEQUENCE AEA 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.665 174.600 0.108 0.000 1.055 11 S CA 0.000 58.252 58.200 0.087 0.000 1.107 11 S CB 0.000 63.264 63.200 0.106 0.000 0.593 12 E N 1.205 121.490 120.200 0.142 0.000 2.336 12 E HA 0.612 5.002 4.350 0.066 0.000 0.267 12 E C -1.377 175.352 176.600 0.216 0.000 0.906 12 E CA -0.870 55.633 56.400 0.171 0.000 0.781 12 E CB 2.475 32.252 29.700 0.127 0.000 1.261 12 E HN 0.425 nan 8.360 nan 0.000 0.436 13 L N 3.022 124.403 121.223 0.263 0.000 2.349 13 L HA 0.446 4.825 4.340 0.066 0.000 0.278 13 L C -1.419 175.560 176.870 0.182 0.000 0.996 13 L CA -0.697 54.251 54.840 0.180 0.000 0.825 13 L CB 0.758 42.940 42.059 0.206 0.000 1.243 13 L HN 0.400 nan 8.230 nan 0.000 0.412 14 L N 5.023 126.312 121.223 0.111 0.000 2.264 14 L HA 0.602 4.981 4.340 0.066 0.000 0.289 14 L C 0.140 177.037 176.870 0.045 0.000 1.044 14 L CA -0.373 54.534 54.840 0.112 0.000 0.807 14 L CB 1.415 43.533 42.059 0.098 0.000 1.192 14 L HN 0.647 nan 8.230 nan 0.000 0.425 15 A N 2.600 125.438 122.820 0.031 0.000 2.303 15 A HA 0.730 5.089 4.320 0.066 0.000 0.320 15 A C -0.203 177.152 177.584 -0.381 0.000 1.192 15 A CA -0.406 51.490 52.037 -0.234 0.000 0.821 15 A CB 1.114 19.978 19.000 -0.227 0.000 1.188 15 A HN 0.629 nan 8.150 nan 0.000 0.492 16 T N 2.736 117.018 114.554 -0.452 0.000 2.779 16 T HA 0.574 4.963 4.350 0.066 0.000 0.280 16 T C -1.007 173.404 174.700 -0.481 0.000 0.987 16 T CA 0.201 62.109 62.100 -0.320 0.000 0.966 16 T CB 0.211 69.010 68.868 -0.115 0.000 0.933 16 T HN 0.444 nan 8.240 nan 0.000 0.442 17 Y N 1.415 121.682 120.300 -0.053 0.000 2.549 17 Y HA 0.633 5.225 4.550 0.070 0.000 0.339 17 Y C -0.054 175.817 175.900 -0.049 0.000 1.053 17 Y CA -1.391 56.660 58.100 -0.082 0.000 1.105 17 Y CB 1.461 39.895 38.460 -0.043 0.000 1.258 17 Y HN 0.378 nan 8.280 nan 0.000 0.478 18 L N 4.337 125.630 121.223 0.118 0.000 2.316 18 L HA 0.543 4.923 4.340 0.066 0.000 0.280 18 L C -1.680 175.228 176.870 0.062 0.000 1.006 18 L CA -0.555 54.326 54.840 0.068 0.000 0.836 18 L CB 0.573 42.658 42.059 0.043 0.000 1.221 18 L HN 0.603 nan 8.230 nan 0.000 0.418 19 L N 4.310 125.556 121.223 0.038 0.000 2.307 19 L HA 0.510 4.890 4.340 0.066 0.000 0.284 19 L C -0.093 176.750 176.870 -0.044 0.000 1.023 19 L CA -0.493 54.341 54.840 -0.010 0.000 0.810 19 L CB 1.902 43.951 42.059 -0.016 0.000 1.231 19 L HN 0.497 nan 8.230 nan 0.000 0.423 20 T N 1.050 115.535 114.554 -0.115 0.000 2.794 20 T HA 0.460 4.850 4.350 0.066 0.000 0.280 20 T C 0.401 174.981 174.700 -0.200 0.000 0.987 20 T CA 0.148 62.129 62.100 -0.199 0.000 0.993 20 T CB 1.471 70.073 68.868 -0.443 0.000 0.939 20 T HN 0.806 nan 8.240 nan 0.000 0.449 21 E N 2.252 122.357 120.200 -0.158 0.000 2.230 21 E HA -0.141 4.248 4.350 0.066 0.000 0.206 21 E C -1.319 175.226 176.600 -0.091 0.000 1.309 21 E CA 0.771 57.098 56.400 -0.123 0.000 0.697 21 E CB -2.648 26.963 29.700 -0.149 0.000 1.146 21 E HN 0.693 nan 8.360 nan 0.000 0.363 22 P HA 0.235 nan 4.420 nan 0.000 0.219 22 P C 1.170 178.445 177.300 -0.042 0.000 1.150 22 P CA 1.805 64.874 63.100 -0.052 0.000 0.814 22 P CB 0.238 31.916 31.700 -0.038 0.000 0.787 23 G N -1.028 107.749 108.800 -0.039 0.000 2.440 23 G HA2 0.114 4.113 3.960 0.066 0.000 0.684 23 G HA3 0.114 4.113 3.960 0.066 0.000 0.684 23 G C 0.669 175.554 174.900 -0.025 0.000 1.309 23 G CA -0.230 44.851 45.100 -0.031 0.000 0.931 23 G HN 0.180 nan 8.290 nan 0.000 0.612 24 A N -0.681 122.127 122.820 -0.021 0.000 1.978 24 A HA 0.165 4.524 4.320 0.066 0.000 0.220 24 A C 1.392 178.967 177.584 -0.015 0.000 1.170 24 A CA 2.537 54.564 52.037 -0.017 0.000 0.636 24 A CB -0.058 18.933 19.000 -0.015 0.000 0.810 24 A HN 0.885 nan 8.150 nan 0.000 0.448 25 D N -1.185 119.205 120.400 -0.015 0.000 2.863 25 D HA 0.183 4.863 4.640 0.066 0.000 0.323 25 D C 1.023 177.314 176.300 -0.015 0.000 1.286 25 D CA 0.333 54.325 54.000 -0.013 0.000 0.921 25 D CB 0.146 40.938 40.800 -0.012 0.000 1.024 25 D HN 0.138 nan 8.370 nan 0.000 0.505 26 T N 0.149 114.695 114.554 -0.014 0.000 2.869 26 T HA -0.154 4.236 4.350 0.066 0.000 0.270 26 T C 1.433 176.127 174.700 -0.010 0.000 1.082 26 T CA 1.311 63.402 62.100 -0.014 0.000 1.123 26 T CB 0.135 68.997 68.868 -0.011 0.000 0.856 26 T HN 0.244 nan 8.240 nan 0.000 0.499 27 E N 0.512 120.707 120.200 -0.009 0.000 2.150 27 E HA -0.062 4.327 4.350 0.066 0.000 0.193 27 E C 2.207 178.801 176.600 -0.010 0.000 0.985 27 E CA 0.771 57.166 56.400 -0.007 0.000 0.814 27 E CB -0.144 29.552 29.700 -0.006 0.000 0.752 27 E HN 0.520 nan 8.360 nan 0.000 0.466 28 K N 1.119 121.512 120.400 -0.012 0.000 2.228 28 K HA -0.113 4.246 4.320 0.066 0.000 0.202 28 K C 2.003 178.593 176.600 -0.017 0.000 1.051 28 K CA 0.646 56.925 56.287 -0.013 0.000 0.960 28 K CB 0.165 32.657 32.500 -0.012 0.000 0.743 28 K HN -0.176 nan 8.250 nan 0.000 0.458 29 K N 1.122 121.509 120.400 -0.020 0.000 2.057 29 K HA -0.047 4.312 4.320 0.066 0.000 0.207 29 K C 1.725 178.306 176.600 -0.032 0.000 1.049 29 K CA 1.491 57.761 56.287 -0.029 0.000 0.931 29 K CB -0.350 32.131 32.500 -0.032 0.000 0.714 29 K HN 0.167 nan 8.250 nan 0.000 0.440 30 A N 1.014 123.821 122.820 -0.022 0.000 1.877 30 A HA -0.164 4.195 4.320 0.066 0.000 0.216 30 A C 2.051 179.621 177.584 -0.024 0.000 1.186 30 A CA 1.785 53.812 52.037 -0.017 0.000 0.620 30 A CB -0.594 18.404 19.000 -0.002 0.000 0.822 30 A HN 0.357 nan 8.150 nan 0.000 0.443 31 E N -0.082 120.105 120.200 -0.021 0.000 2.110 31 E HA -0.192 4.197 4.350 0.066 0.000 0.193 31 E C 2.261 178.849 176.600 -0.020 0.000 0.988 31 E CA 1.250 57.636 56.400 -0.022 0.000 0.804 31 E CB -0.377 29.314 29.700 -0.015 0.000 0.745 31 E HN 0.761 nan 8.360 nan 0.000 0.458 32 Q N 0.201 119.989 119.800 -0.019 0.000 2.030 32 Q HA -0.135 4.244 4.340 0.066 0.000 0.204 32 Q C 2.457 178.449 176.000 -0.013 0.000 0.986 32 Q CA 1.203 56.997 55.803 -0.015 0.000 0.843 32 Q CB -0.212 28.514 28.738 -0.019 0.000 0.904 32 Q HN 0.313 nan 8.270 nan 0.000 0.420 33 I N 0.727 121.279 120.570 -0.029 0.000 2.163 33 I HA -0.307 3.903 4.170 0.066 0.000 0.243 33 I C 2.450 178.576 176.117 0.016 0.000 1.085 33 I CA 1.103 62.387 61.300 -0.027 0.000 1.347 33 I CB -0.486 37.456 38.000 -0.097 0.000 1.044 33 I HN 0.179 nan 8.210 nan 0.000 0.408 34 A N 0.215 123.016 122.820 -0.031 0.000 1.972 34 A HA -0.125 4.234 4.320 0.066 0.000 0.219 34 A C 1.632 179.206 177.584 -0.016 0.000 1.169 34 A CA 1.971 53.956 52.037 -0.087 0.000 0.635 34 A CB -0.938 17.991 19.000 -0.117 0.000 0.810 34 A HN 0.564 nan 8.150 nan 0.000 0.446 35 T N -4.608 109.952 114.554 0.009 0.000 2.898 35 T HA 0.675 5.065 4.350 0.066 0.000 0.283 35 T C 0.316 175.043 174.700 0.044 0.000 1.059 35 T CA -0.069 62.049 62.100 0.030 0.000 0.958 35 T CB 1.334 70.212 68.868 0.017 0.000 1.594 35 T HN 1.562 nan 8.240 nan 0.000 0.598 47 L N -1.994 119.236 121.223 0.012 0.000 2.609 47 L HA 0.301 4.681 4.340 0.066 0.000 0.230 47 L C 1.519 178.395 176.870 0.011 0.000 1.064 47 L CA 0.464 55.311 54.840 0.011 0.000 0.873 47 L CB -1.306 40.758 42.059 0.008 0.000 1.139 47 L HN 0.165 nan 8.230 nan 0.000 0.490 48 V N 0.811 120.731 119.914 0.011 0.000 2.343 48 V HA -0.199 3.961 4.120 0.066 0.000 0.247 48 V C 2.585 178.688 176.094 0.015 0.000 1.051 48 V CA 1.954 64.261 62.300 0.011 0.000 1.036 48 V CB -0.776 31.053 31.823 0.011 0.000 0.654 48 V HN 0.476 nan 8.190 nan 0.000 0.451 49 K N -0.481 119.931 120.400 0.021 0.000 2.243 49 K HA -0.102 4.258 4.320 0.066 0.000 0.201 49 K C 2.179 178.799 176.600 0.034 0.000 1.051 49 K CA 0.714 57.020 56.287 0.031 0.000 0.970 49 K CB -0.060 32.460 32.500 0.034 0.000 0.755 49 K HN 0.473 nan 8.250 nan 0.000 0.465 50 Q N 1.240 121.055 119.800 0.025 0.000 2.084 50 Q HA -0.218 4.161 4.340 0.066 0.000 0.202 50 Q C 2.329 178.341 176.000 0.020 0.000 0.978 50 Q CA 2.255 58.072 55.803 0.024 0.000 0.844 50 Q CB 0.086 28.834 28.738 0.017 0.000 0.898 50 Q HN 0.437 nan 8.270 nan 0.000 0.426 51 E N 0.898 121.105 120.200 0.012 0.000 2.072 51 E HA -0.210 4.179 4.350 0.066 0.000 0.190 51 E C 1.403 178.001 176.600 -0.003 0.000 0.982 51 E CA 1.292 57.694 56.400 0.003 0.000 0.803 51 E CB -0.779 28.921 29.700 -0.000 0.000 0.755 51 E HN 0.761 nan 8.360 nan 0.000 0.453 52 Q N -1.702 118.100 119.800 0.002 0.000 2.344 52 Q HA 0.401 4.781 4.340 0.066 0.000 0.212 52 Q C 1.452 177.451 176.000 -0.002 0.000 0.943 52 Q CA 0.939 56.736 55.803 -0.011 0.000 0.955 52 Q CB 0.011 28.751 28.738 0.003 0.000 1.000 52 Q HN 0.555 nan 8.270 nan 0.000 0.488 53 M N -1.268 118.345 119.600 0.023 0.000 2.231 53 M HA 0.178 4.698 4.480 0.066 0.000 0.347 53 M C 1.542 177.876 176.300 0.057 0.000 0.901 53 M CA 0.185 55.538 55.300 0.088 0.000 1.064 53 M CB 0.186 32.859 32.600 0.121 0.000 1.861 53 M HN 0.072 nan 8.290 nan 0.000 0.638 54 Q N 1.647 121.454 119.800 0.011 0.000 2.297 54 Q HA -0.149 4.230 4.340 0.066 0.000 0.208 54 Q C 1.818 177.815 176.000 -0.005 0.000 0.981 54 Q CA 1.726 57.533 55.803 0.006 0.000 0.876 54 Q CB -0.069 28.666 28.738 -0.006 0.000 0.921 54 Q HN 0.893 nan 8.270 nan 0.000 0.446 55 K N -1.055 119.313 120.400 -0.053 0.000 2.387 55 K HA -0.023 4.337 4.320 0.066 0.000 0.198 55 K C 0.336 176.908 176.600 -0.046 0.000 1.022 55 K CA 0.564 56.805 56.287 -0.076 0.000 1.128 55 K CB 0.010 32.426 32.500 -0.140 0.000 0.853 55 K HN 0.322 nan 8.250 nan 0.000 0.523 56 H N 0.490 119.575 119.070 0.026 0.000 2.827 56 H HA 0.135 4.730 4.556 0.065 0.000 0.269 56 H C -0.239 175.126 175.328 0.061 0.000 1.031 56 H CA -0.465 55.610 56.048 0.044 0.000 1.202 56 H CB 0.854 30.642 29.762 0.043 0.000 1.511 56 H HN 0.204 nan 8.280 nan 0.000 0.517 57 K N 0.841 121.332 120.400 0.151 0.000 2.143 57 K HA 0.383 4.743 4.320 0.066 0.000 0.272 57 K C 0.417 177.037 176.600 0.033 0.000 1.001 57 K CA -0.612 55.727 56.287 0.087 0.000 0.915 57 K CB 1.543 34.073 32.500 0.050 0.000 1.047 57 K HN 0.001 nan 8.250 nan 0.000 0.458 58 G N 2.237 111.011 108.800 -0.043 0.000 2.634 58 G HA2 0.247 4.246 3.960 0.066 0.000 0.255 58 G HA3 0.247 4.246 3.960 0.066 0.000 0.255 58 G C -0.829 173.995 174.900 -0.126 0.000 1.205 58 G CA -0.952 44.034 45.100 -0.189 0.000 0.884 58 G HN 0.640 nan 8.290 nan 0.000 0.549 59 R N -0.498 119.927 120.500 -0.124 0.000 2.494 59 R HA 0.391 4.770 4.340 0.066 0.000 0.305 59 R C -0.852 175.404 176.300 -0.074 0.000 0.959 59 R CA -0.774 55.284 56.100 -0.070 0.000 0.864 59 R CB 2.400 32.678 30.300 -0.037 0.000 1.159 59 R HN 0.279 nan 8.270 nan 0.000 0.446 60 V N 5.459 125.342 119.914 -0.050 0.000 2.415 60 V HA 0.035 4.195 4.120 0.066 0.000 0.267 60 V C 1.310 177.393 176.094 -0.019 0.000 1.042 60 V CA 0.467 62.747 62.300 -0.032 0.000 1.000 60 V CB 0.347 32.158 31.823 -0.020 0.000 1.015 60 V HN 0.790 nan 8.190 nan 0.000 0.478 61 I N 3.327 123.888 120.570 -0.014 0.000 2.585 61 I HA 0.156 4.365 4.170 0.066 0.000 0.254 61 I C 1.101 177.215 176.117 -0.006 0.000 1.129 61 I CA 0.806 62.100 61.300 -0.010 0.000 1.455 61 I CB 0.219 38.213 38.000 -0.010 0.000 1.111 61 I HN 0.496 nan 8.210 nan 0.000 0.433 62 K N 0.479 120.879 120.400 0.001 0.000 2.546 62 K HA 0.538 4.898 4.320 0.066 0.000 0.264 62 K C -1.709 174.898 176.600 0.012 0.000 0.937 62 K CA -0.426 55.862 56.287 0.003 0.000 0.833 62 K CB 2.977 35.475 32.500 -0.002 0.000 1.378 62 K HN -0.294 nan 8.250 nan 0.000 0.432 63 V N 3.314 123.234 119.914 0.009 0.000 2.538 63 V HA 0.210 4.369 4.120 0.066 0.000 0.265 63 V C -0.396 175.704 176.094 0.010 0.000 0.977 63 V CA -0.719 61.589 62.300 0.013 0.000 0.852 63 V CB 1.118 32.946 31.823 0.009 0.000 1.058 63 V HN 0.802 nan 8.190 nan 0.000 0.462 64 E N 2.925 123.132 120.200 0.012 0.000 2.267 64 E HA 0.759 5.149 4.350 0.066 0.000 0.258 64 E C -0.072 176.534 176.600 0.010 0.000 1.074 64 E CA 0.090 56.496 56.400 0.010 0.000 0.915 64 E CB 1.845 31.551 29.700 0.009 0.000 1.186 64 E HN 0.643 nan 8.360 nan 0.000 0.439 65 E N 0.127 120.332 120.200 0.009 0.000 2.873 65 E HA 0.533 4.922 4.350 0.066 0.000 0.232 65 E C -0.662 175.944 176.600 0.010 0.000 1.123 65 E CA 0.095 56.500 56.400 0.008 0.000 0.809 65 E CB 0.964 30.666 29.700 0.004 0.000 1.366 65 E HN 0.727 nan 8.360 nan 0.000 0.400 66 R N -0.071 120.437 120.500 0.014 0.000 6.104 66 R HA 0.640 5.019 4.340 0.066 0.000 0.281 66 R C 0.375 176.687 176.300 0.020 0.000 0.830 66 R CA 0.810 56.921 56.100 0.017 0.000 1.582 66 R CB -1.751 28.558 30.300 0.014 0.000 1.270 66 R HN 2.218 nan 8.270 nan 0.000 0.726 75 Q N 1.450 121.263 119.800 0.022 0.000 2.656 75 Q HA 0.558 4.938 4.340 0.066 0.000 0.389 75 Q C -1.307 174.695 176.000 0.003 0.000 0.883 75 Q CA -0.297 55.513 55.803 0.011 0.000 1.056 75 Q CB 1.402 30.140 28.738 -0.000 0.000 1.391 75 Q HN 0.294 nan 8.270 nan 0.000 0.399 76 A N 0.519 123.347 122.820 0.013 0.000 2.411 76 A HA 0.462 4.822 4.320 0.066 0.000 0.303 76 A C -1.518 176.084 177.584 0.030 0.000 1.038 76 A CA -0.437 51.608 52.037 0.013 0.000 1.011 76 A CB 0.562 19.563 19.000 0.001 0.000 1.505 76 A HN 0.122 nan 8.150 nan 0.000 0.380 77 V N 3.881 123.814 119.914 0.031 0.000 2.370 77 V HA 0.586 4.745 4.120 0.066 0.000 0.283 77 V C -0.065 176.059 176.094 0.051 0.000 1.023 77 V CA -0.203 62.121 62.300 0.041 0.000 0.857 77 V CB 1.321 33.160 31.823 0.026 0.000 0.985 77 V HN 0.710 nan 8.190 nan 0.000 0.443 78 I N 3.552 124.176 120.570 0.090 0.000 2.545 78 I HA 0.485 4.695 4.170 0.066 0.000 0.292 78 I C -0.180 176.015 176.117 0.130 0.000 1.040 78 I CA -0.287 61.079 61.300 0.110 0.000 1.068 78 I CB 2.516 40.598 38.000 0.136 0.000 1.251 78 I HN 0.464 nan 8.210 nan 0.000 0.424 79 T N 6.691 121.291 114.554 0.078 0.000 2.792 79 T HA 0.636 5.025 4.350 0.066 0.000 0.280 79 T C -0.349 174.383 174.700 0.054 0.000 0.990 79 T CA -0.303 61.825 62.100 0.047 0.000 0.960 79 T CB 1.085 69.958 68.868 0.009 0.000 0.939 79 T HN 0.263 nan 8.240 nan 0.000 0.439 80 I N 2.289 122.903 120.570 0.073 0.000 2.509 80 I HA 0.642 4.852 4.170 0.066 0.000 0.293 80 I C -0.039 176.044 176.117 -0.056 0.000 1.020 80 I CA -1.269 60.014 61.300 -0.028 0.000 1.088 80 I CB 1.885 39.834 38.000 -0.085 0.000 1.267 80 I HN 0.627 nan 8.210 nan 0.000 0.430 81 A N 6.221 128.975 122.820 -0.110 0.000 2.249 81 A HA 0.635 4.995 4.320 0.066 0.000 0.314 81 A C -1.374 176.182 177.584 -0.047 0.000 1.290 81 A CA -0.217 51.819 52.037 -0.002 0.000 0.893 81 A CB 0.014 19.025 19.000 0.018 0.000 1.165 81 A HN 0.554 nan 8.150 nan 0.000 0.530 82 Y N 3.908 124.294 120.300 0.145 0.000 2.328 82 Y HA 0.391 4.981 4.550 0.066 0.000 0.337 82 Y C -1.915 174.099 175.900 0.189 0.000 1.008 82 Y CA -2.624 55.597 58.100 0.203 0.000 1.129 82 Y CB 1.155 39.807 38.460 0.320 0.000 1.185 82 Y HN 0.512 nan 8.280 nan 0.000 0.476 83 P HA 0.011 nan 4.420 nan 0.000 0.268 83 P C -0.181 177.121 177.300 0.004 0.000 1.204 83 P CA 0.026 63.201 63.100 0.125 0.000 0.768 83 P CB 1.011 32.770 31.700 0.098 0.000 0.842 84 E N 2.159 122.298 120.200 -0.101 0.000 2.515 84 E HA -0.080 4.309 4.350 0.066 0.000 0.201 84 E C 1.509 177.741 176.600 -0.614 0.000 1.071 84 E CA 0.525 56.618 56.400 -0.513 0.000 0.880 84 E CB -0.380 29.230 29.700 -0.149 0.000 0.828 84 E HN 0.586 nan 8.360 nan 0.000 0.540 85 I N -2.368 118.041 120.570 -0.269 0.000 2.928 85 I HA -0.096 4.114 4.170 0.066 0.000 0.266 85 I C 1.410 177.447 176.117 -0.133 0.000 1.234 85 I CA 0.830 62.048 61.300 -0.136 0.000 1.483 85 I CB -0.292 37.730 38.000 0.036 0.000 1.097 85 I HN -0.053 nan 8.210 nan 0.000 0.455 86 N N 0.997 119.589 118.700 -0.181 0.000 2.512 86 N HA 0.062 4.842 4.740 0.066 0.000 0.183 86 N C -0.387 175.165 175.510 0.069 0.000 1.073 86 N CA 0.561 53.592 53.050 -0.032 0.000 0.911 86 N CB 0.132 38.729 38.487 0.183 0.000 0.964 86 N HN 0.478 nan 8.380 nan 0.000 0.447 87 F N -1.926 118.068 119.950 0.073 0.000 2.668 87 F HA 0.472 5.037 4.527 0.064 0.000 0.309 87 F C -0.366 175.469 175.800 0.058 0.000 1.117 87 F CA -1.714 56.327 58.000 0.067 0.000 0.951 87 F CB 0.515 39.569 39.000 0.089 0.000 1.323 87 F HN -0.283 nan 8.300 nan 0.000 0.451 88 S N -0.082 115.777 115.700 0.266 0.000 2.614 88 S HA 0.261 4.770 4.470 0.066 0.000 0.265 88 S C -0.222 174.493 174.600 0.192 0.000 1.303 88 S CA -0.855 57.426 58.200 0.135 0.000 1.000 88 S CB 0.934 64.194 63.200 0.100 0.000 0.935 88 S HN 0.759 nan 8.310 nan 0.000 0.551 89 Q N 1.930 121.700 119.800 -0.051 0.000 3.004 89 Q HA 0.205 4.584 4.340 0.066 0.000 0.256 89 Q C -1.032 174.929 176.000 -0.065 0.000 1.387 89 Q CA 0.002 55.583 55.803 -0.370 0.000 0.962 89 Q CB -0.737 27.677 28.738 -0.540 0.000 1.676 89 Q HN 0.773 nan 8.270 nan 0.000 0.568 90 D N -1.969 118.593 120.400 0.270 0.000 2.717 90 D HA 0.126 4.805 4.640 0.066 0.000 0.223 90 D C 0.481 177.018 176.300 0.396 0.000 1.240 90 D CA -0.787 53.409 54.000 0.327 0.000 0.801 90 D CB 0.597 41.508 40.800 0.186 0.000 1.556 90 D HN -0.108 nan 8.370 nan 0.000 0.462 91 I N 0.491 121.268 120.570 0.345 0.000 2.194 91 I HA -0.115 4.095 4.170 0.066 0.000 0.246 91 I C -0.793 175.428 176.117 0.174 0.000 1.093 91 I CA 0.976 62.428 61.300 0.255 0.000 1.355 91 I CB -2.326 35.797 38.000 0.204 0.000 1.046 91 I HN 0.458 nan 8.210 nan 0.000 0.413 92 P HA -0.127 nan 4.420 nan 0.000 0.215 92 P C 1.771 179.136 177.300 0.109 0.000 1.153 92 P CA 2.128 65.307 63.100 0.131 0.000 0.853 92 P CB 0.010 31.783 31.700 0.123 0.000 0.788 93 A N -0.576 122.320 122.820 0.127 0.000 1.873 93 A HA -0.170 4.189 4.320 0.066 0.000 0.215 93 A C 2.236 179.814 177.584 -0.010 0.000 1.186 93 A CA 1.293 53.401 52.037 0.118 0.000 0.616 93 A CB -1.673 17.457 19.000 0.218 0.000 0.823 93 A HN 0.129 nan 8.150 nan 0.000 0.442 94 L N -0.291 120.872 121.223 -0.099 0.000 1.955 94 L HA -0.211 4.168 4.340 0.066 0.000 0.213 94 L C 2.567 179.263 176.870 -0.291 0.000 1.072 94 L CA 1.934 56.495 54.840 -0.465 0.000 0.755 94 L CB -0.426 41.453 42.059 -0.301 0.000 0.888 94 L HN 0.443 nan 8.230 nan 0.000 0.432 95 L N -0.662 120.524 121.223 -0.061 0.000 2.043 95 L HA -0.268 4.111 4.340 0.066 0.000 0.212 95 L C 2.506 179.415 176.870 0.065 0.000 1.075 95 L CA 1.972 56.855 54.840 0.072 0.000 0.752 95 L CB -0.951 41.243 42.059 0.225 0.000 0.891 95 L HN 0.364 nan 8.230 nan 0.000 0.432 96 T N -1.382 113.194 114.554 0.037 0.000 2.833 96 T HA -0.159 4.231 4.350 0.066 0.000 0.269 96 T C 1.874 176.570 174.700 -0.006 0.000 1.054 96 T CA 1.790 63.909 62.100 0.031 0.000 1.135 96 T CB -0.148 68.746 68.868 0.043 0.000 0.869 96 T HN 0.373 nan 8.240 nan 0.000 0.466 97 T N 1.707 116.216 114.554 -0.075 0.000 2.770 97 T HA -0.027 4.362 4.350 0.066 0.000 0.258 97 T C 2.231 176.814 174.700 -0.196 0.000 1.039 97 T CA 1.411 63.447 62.100 -0.108 0.000 1.143 97 T CB -0.265 68.519 68.868 -0.140 0.000 0.866 97 T HN 0.419 nan 8.240 nan 0.000 0.428 98 V N -2.337 117.381 119.914 -0.326 0.000 3.406 98 V HA 0.385 4.545 4.120 0.066 0.000 0.263 98 V C 0.691 176.909 176.094 0.207 0.000 1.172 98 V CA 0.595 62.718 62.300 -0.295 0.000 1.140 98 V CB -0.371 31.150 31.823 -0.503 0.000 0.784 98 V HN 0.326 nan 8.190 nan 0.000 0.467 99 F N 1.040 120.944 119.950 -0.075 0.000 2.481 99 F HA 0.744 5.312 4.527 0.068 0.000 0.386 99 F C 1.097 176.881 175.800 -0.028 0.000 1.454 99 F CA -0.614 57.363 58.000 -0.038 0.000 1.092 99 F CB 0.482 39.413 39.000 -0.116 0.000 1.346 99 F HN 0.112 nan 8.300 nan 0.000 0.511 100 G N 1.322 110.105 108.800 -0.029 0.000 2.672 100 G HA2 -0.040 3.960 3.960 0.066 0.000 0.200 100 G HA3 -0.040 3.960 3.960 0.066 0.000 0.200 100 G C 1.267 176.076 174.900 -0.150 0.000 1.819 100 G CA 0.465 45.522 45.100 -0.072 0.000 0.902 100 G HN 0.324 nan 8.290 nan 0.000 0.512 101 K N 0.086 120.430 120.400 -0.093 0.000 2.280 101 K HA 0.077 4.436 4.320 0.066 0.000 0.202 101 K C 2.187 178.703 176.600 -0.141 0.000 1.047 101 K CA 1.097 57.323 56.287 -0.100 0.000 0.942 101 K CB -0.401 32.066 32.500 -0.054 0.000 0.739 101 K HN 0.228 nan 8.250 nan 0.000 0.457 102 L N 2.063 123.199 121.223 -0.145 0.000 2.265 102 L HA -0.113 4.266 4.340 0.066 0.000 0.215 102 L C 1.961 178.654 176.870 -0.295 0.000 1.117 102 L CA 1.811 56.562 54.840 -0.149 0.000 0.782 102 L CB -0.559 41.464 42.059 -0.061 0.000 0.914 102 L HN 0.461 nan 8.230 nan 0.000 0.441 103 S N -1.676 113.658 115.700 -0.610 0.000 2.474 103 S HA -0.075 4.435 4.470 0.066 0.000 0.235 103 S C 1.498 175.885 174.600 -0.355 0.000 0.997 103 S CA 0.884 58.522 58.200 -0.935 0.000 0.949 103 S CB -0.438 62.034 63.200 -1.214 0.000 0.766 103 S HN 0.376 nan 8.310 nan 0.000 0.517 104 L N 1.162 122.251 121.223 -0.225 0.000 2.640 104 L HA 0.401 4.780 4.340 0.066 0.000 0.230 104 L C 0.599 177.437 176.870 -0.053 0.000 1.123 104 L CA 0.300 55.071 54.840 -0.115 0.000 0.900 104 L CB -0.176 41.818 42.059 -0.108 0.000 1.146 104 L HN 0.142 nan 8.230 nan 0.000 0.484 105 D N 1.326 121.692 120.400 -0.058 0.000 2.558 105 D HA 0.387 5.066 4.640 0.066 0.000 0.221 105 D C 1.051 177.356 176.300 0.009 0.000 1.143 105 D CA 0.744 54.726 54.000 -0.029 0.000 1.010 105 D CB -0.277 40.492 40.800 -0.052 0.000 1.068 105 D HN 0.245 nan 8.370 nan 0.000 0.511 106 G N 2.743 111.578 108.800 0.058 0.000 2.641 106 G HA2 -0.313 3.686 3.960 0.066 0.000 0.254 106 G HA3 -0.313 3.686 3.960 0.066 0.000 0.254 106 G C -0.059 174.895 174.900 0.089 0.000 1.315 106 G CA -0.453 44.700 45.100 0.089 0.000 0.907 106 G HN 0.470 nan 8.290 nan 0.000 0.572 107 K N 0.349 120.687 120.400 -0.104 0.000 2.021 107 K HA 0.444 4.803 4.320 0.066 0.000 0.238 107 K C 0.137 176.623 176.600 -0.190 0.000 1.149 107 K CA 0.194 56.239 56.287 -0.403 0.000 1.105 107 K CB 0.025 32.244 32.500 -0.467 0.000 1.246 107 K HN 0.458 nan 8.250 nan 0.000 0.307 108 I N 2.211 122.746 120.570 -0.058 0.000 2.478 108 I HA 0.316 4.526 4.170 0.066 0.000 0.287 108 I C -1.337 174.931 176.117 0.251 0.000 1.042 108 I CA -0.733 60.623 61.300 0.093 0.000 1.067 108 I CB 1.577 39.646 38.000 0.115 0.000 1.233 108 I HN 0.375 nan 8.210 nan 0.000 0.431 109 K N 6.927 127.423 120.400 0.160 0.000 2.397 109 K HA 0.404 4.764 4.320 0.066 0.000 0.253 109 K C -1.423 175.067 176.600 -0.183 0.000 0.932 109 K CA -0.789 55.536 56.287 0.064 0.000 0.795 109 K CB 2.012 34.536 32.500 0.041 0.000 1.159 109 K HN 0.462 nan 8.250 nan 0.000 0.424 110 L N 6.232 127.027 121.223 -0.713 0.000 2.342 110 L HA 0.178 4.558 4.340 0.066 0.000 0.285 110 L C 0.257 176.856 176.870 -0.452 0.000 1.095 110 L CA 0.295 54.617 54.840 -0.863 0.000 0.843 110 L CB 0.277 41.389 42.059 -1.578 0.000 1.201 110 L HN 0.797 nan 8.230 nan 0.000 0.445 111 I N 2.963 123.341 120.570 -0.320 0.000 2.585 111 I HA 0.172 4.381 4.170 0.066 0.000 0.254 111 I C 0.512 176.522 176.117 -0.179 0.000 1.129 111 I CA 0.748 61.938 61.300 -0.185 0.000 1.455 111 I CB -0.242 37.690 38.000 -0.113 0.000 1.111 111 I HN 0.662 nan 8.210 nan 0.000 0.433 112 D N -1.418 118.838 120.400 -0.240 0.000 2.653 112 D HA 0.534 5.213 4.640 0.066 0.000 0.258 112 D C -1.520 174.612 176.300 -0.279 0.000 1.252 112 D CA -0.373 53.492 54.000 -0.225 0.000 0.777 112 D CB 1.583 42.304 40.800 -0.132 0.000 1.339 112 D HN -0.218 nan 8.370 nan 0.000 0.422 113 L N 1.786 122.812 121.223 -0.329 0.000 2.505 113 L HA 0.412 4.792 4.340 0.066 0.000 0.266 113 L C -1.280 175.378 176.870 -0.354 0.000 0.954 113 L CA -0.660 53.993 54.840 -0.312 0.000 0.852 113 L CB 2.247 44.112 42.059 -0.322 0.000 1.282 113 L HN 0.378 nan 8.230 nan 0.000 0.403 114 H N 2.582 121.622 119.070 -0.049 0.000 2.708 114 H HA 0.471 5.068 4.556 0.068 0.000 0.320 114 H C -0.777 174.626 175.328 0.125 0.000 0.991 114 H CA -0.336 55.787 56.048 0.126 0.000 1.243 114 H CB 0.991 30.805 29.762 0.087 0.000 1.446 114 H HN 0.203 nan 8.280 nan 0.000 0.502 115 F N 0.978 121.028 119.950 0.166 0.000 2.406 115 F HA 0.207 4.791 4.527 0.095 0.000 0.327 115 F C 1.304 177.240 175.800 0.226 0.000 1.153 115 F CA -0.602 57.490 58.000 0.154 0.000 1.218 115 F CB 0.761 39.848 39.000 0.145 0.000 1.215 115 F HN 0.471 nan 8.300 nan 0.000 0.570 116 S N 0.675 116.633 115.700 0.430 0.000 2.634 116 S HA 0.174 4.683 4.470 0.066 0.000 0.261 116 S C 0.887 175.671 174.600 0.306 0.000 1.271 116 S CA -0.646 57.745 58.200 0.318 0.000 0.985 116 S CB 0.797 64.167 63.200 0.283 0.000 0.968 116 S HN 0.618 nan 8.310 nan 0.000 0.568 117 E N 0.723 121.038 120.200 0.192 0.000 2.072 117 E HA -0.075 4.315 4.350 0.066 0.000 0.191 117 E C 2.370 179.046 176.600 0.126 0.000 0.985 117 E CA 1.298 57.770 56.400 0.121 0.000 0.801 117 E CB -0.835 28.904 29.700 0.064 0.000 0.750 117 E HN 0.787 nan 8.360 nan 0.000 0.452 118 A N 0.958 123.865 122.820 0.145 0.000 1.933 118 A HA -0.174 4.185 4.320 0.066 0.000 0.218 118 A C 1.972 179.664 177.584 0.180 0.000 1.175 118 A CA 1.049 53.155 52.037 0.115 0.000 0.628 118 A CB -0.634 18.417 19.000 0.085 0.000 0.814 118 A HN 0.198 nan 8.150 nan 0.000 0.444 119 F N 0.535 120.596 119.950 0.185 0.000 2.206 119 F HA 0.010 4.575 4.527 0.063 0.000 0.298 119 F C 2.073 178.011 175.800 0.229 0.000 1.090 119 F CA 1.375 59.546 58.000 0.285 0.000 1.323 119 F CB -0.166 39.129 39.000 0.492 0.000 1.028 119 F HN 0.140 nan 8.300 nan 0.000 0.492 120 K N -0.270 120.382 120.400 0.421 0.000 2.147 120 K HA -0.141 4.219 4.320 0.066 0.000 0.205 120 K C 2.115 178.691 176.600 -0.039 0.000 1.049 120 K CA 1.109 57.474 56.287 0.130 0.000 0.936 120 K CB -0.170 32.269 32.500 -0.102 0.000 0.722 120 K HN 0.232 nan 8.250 nan 0.000 0.446 121 R N 0.215 120.715 120.500 0.001 0.000 2.189 121 R HA -0.039 4.340 4.340 0.066 0.000 0.223 121 R C 1.926 178.225 176.300 -0.002 0.000 1.092 121 R CA 0.995 57.066 56.100 -0.049 0.000 0.989 121 R CB -0.087 30.194 30.300 -0.032 0.000 0.876 121 R HN 0.130 nan 8.270 nan 0.000 0.457 122 A N 0.479 123.342 122.820 0.071 0.000 2.251 122 A HA 0.163 4.523 4.320 0.066 0.000 0.209 122 A C 0.600 178.272 177.584 0.147 0.000 1.187 122 A CA 0.164 52.240 52.037 0.066 0.000 0.823 122 A CB 0.188 19.169 19.000 -0.032 0.000 0.846 122 A HN 0.066 nan 8.150 nan 0.000 0.486 123 L N 0.217 121.556 121.223 0.194 0.000 2.329 123 L HA 0.332 4.711 4.340 0.066 0.000 0.279 123 L C -1.299 175.692 176.870 0.202 0.000 1.014 123 L CA -2.073 52.914 54.840 0.245 0.000 0.814 123 L CB 2.178 44.442 42.059 0.342 0.000 1.257 123 L HN 0.032 nan 8.230 nan 0.000 0.424 124 P HA -0.045 nan 4.420 nan 0.000 0.216 124 P C 0.667 178.072 177.300 0.174 0.000 1.153 124 P CA 1.156 64.322 63.100 0.111 0.000 0.844 124 P CB 0.381 32.124 31.700 0.073 0.000 0.787 125 G N 0.672 109.630 108.800 0.264 0.000 2.855 125 G HA2 -0.153 3.847 3.960 0.066 0.000 0.352 125 G HA3 -0.153 3.847 3.960 0.066 0.000 0.352 125 G C -2.985 171.994 174.900 0.132 0.000 1.415 125 G CA -0.611 44.672 45.100 0.306 0.000 0.871 125 G HN 0.150 nan 8.290 nan 0.000 0.543 126 P HA 0.234 nan 4.420 nan 0.000 0.271 126 P C 0.853 178.199 177.300 0.078 0.000 1.216 126 P CA -0.208 62.940 63.100 0.081 0.000 0.776 126 P CB 0.794 32.526 31.700 0.052 0.000 0.881 127 K N 1.503 121.973 120.400 0.117 0.000 2.103 127 K HA -0.039 4.320 4.320 0.066 0.000 0.204 127 K C 1.081 177.597 176.600 -0.139 0.000 1.052 127 K CA 1.769 58.063 56.287 0.011 0.000 0.945 127 K CB -0.205 32.347 32.500 0.087 0.000 0.722 127 K HN 0.454 nan 8.250 nan 0.000 0.443 128 F N -0.252 119.689 119.950 -0.015 0.000 2.537 128 F HA 0.217 4.771 4.527 0.046 0.000 0.277 128 F C 1.438 177.217 175.800 -0.036 0.000 1.013 128 F CA 0.486 58.478 58.000 -0.014 0.000 1.332 128 F CB -0.601 38.376 39.000 -0.039 0.000 1.108 128 F HN 0.136 nan 8.300 nan 0.000 0.679 129 G N 0.890 109.750 108.800 0.101 0.000 2.749 129 G HA2 -0.248 3.752 3.960 0.066 0.000 0.242 129 G HA3 -0.248 3.752 3.960 0.066 0.000 0.242 129 G C 0.820 175.637 174.900 -0.139 0.000 1.364 129 G CA -0.214 44.859 45.100 -0.045 0.000 0.888 129 G HN 0.164 nan 8.290 nan 0.000 0.566 130 V N -0.192 119.531 119.914 -0.317 0.000 2.282 130 V HA -0.269 3.890 4.120 0.066 0.000 0.249 130 V C 2.253 178.174 176.094 -0.288 0.000 1.057 130 V CA 3.214 65.103 62.300 -0.685 0.000 1.032 130 V CB -1.137 30.233 31.823 -0.754 0.000 0.645 130 V HN 0.707 nan 8.190 nan 0.000 0.447 131 Y N 1.656 121.862 120.300 -0.157 0.000 2.114 131 Y HA -0.131 4.447 4.550 0.047 0.000 0.284 131 Y C 2.379 178.309 175.900 0.051 0.000 1.143 131 Y CA 1.942 60.045 58.100 0.005 0.000 1.135 131 Y CB -0.853 37.642 38.460 0.059 0.000 0.980 131 Y HN 0.197 nan 8.280 nan 0.000 0.499 132 G N 0.800 109.657 108.800 0.094 0.000 2.432 132 G HA2 -0.231 3.769 3.960 0.066 0.000 0.219 132 G HA3 -0.231 3.769 3.960 0.066 0.000 0.219 132 G C 1.501 176.449 174.900 0.081 0.000 1.135 132 G CA 1.220 46.389 45.100 0.114 0.000 0.767 132 G HN 0.416 nan 8.290 nan 0.000 0.550 133 I N 0.650 121.243 120.570 0.039 0.000 2.233 133 I HA -0.032 4.177 4.170 0.066 0.000 0.243 133 I C 2.787 178.871 176.117 -0.056 0.000 1.093 133 I CA 0.891 62.217 61.300 0.043 0.000 1.380 133 I CB -0.993 37.114 38.000 0.179 0.000 1.067 133 I HN 0.180 nan 8.210 nan 0.000 0.413 134 R N 0.749 121.124 120.500 -0.209 0.000 2.096 134 R HA -0.182 4.198 4.340 0.066 0.000 0.235 134 R C 2.255 178.185 176.300 -0.616 0.000 1.127 134 R CA 1.231 56.973 56.100 -0.597 0.000 0.968 134 R CB -0.276 29.296 30.300 -1.213 0.000 0.861 134 R HN 0.329 nan 8.270 nan 0.000 0.440 135 K N 0.732 120.885 120.400 -0.412 0.000 2.097 135 K HA -0.144 4.216 4.320 0.066 0.000 0.205 135 K C 1.886 178.458 176.600 -0.046 0.000 1.050 135 K CA 0.949 57.170 56.287 -0.111 0.000 0.938 135 K CB 0.023 32.360 32.500 -0.272 0.000 0.718 135 K HN -0.002 nan 8.250 nan 0.000 0.442 136 L N 1.027 122.214 121.223 -0.060 0.000 2.093 136 L HA -0.075 4.304 4.340 0.066 0.000 0.208 136 L C 1.801 178.631 176.870 -0.066 0.000 1.085 136 L CA 1.528 56.348 54.840 -0.032 0.000 0.755 136 L CB -0.114 41.932 42.059 -0.022 0.000 0.904 136 L HN 0.213 nan 8.230 nan 0.000 0.435 137 L N -1.523 119.648 121.223 -0.088 0.000 2.607 137 L HA 0.311 4.690 4.340 0.066 0.000 0.228 137 L C 1.247 178.096 176.870 -0.035 0.000 1.123 137 L CA 0.388 55.176 54.840 -0.088 0.000 0.890 137 L CB -0.424 41.574 42.059 -0.102 0.000 1.103 137 L HN 0.358 nan 8.230 nan 0.000 0.468 138 G N 1.602 110.403 108.800 0.003 0.000 2.323 138 G HA2 -0.309 3.691 3.960 0.066 0.000 0.292 138 G HA3 -0.309 3.691 3.960 0.066 0.000 0.292 138 G C -0.072 174.918 174.900 0.151 0.000 1.040 138 G CA 0.523 45.703 45.100 0.134 0.000 0.942 138 G HN 0.397 nan 8.290 nan 0.000 0.506 139 E N -1.004 119.193 120.200 -0.005 0.000 2.255 139 E HA 0.693 5.082 4.350 0.066 0.000 0.256 139 E C -0.034 176.475 176.600 -0.151 0.000 0.887 139 E CA -1.107 55.304 56.400 0.018 0.000 0.782 139 E CB 0.409 30.103 29.700 -0.010 0.000 1.214 139 E HN 0.056 nan 8.360 nan 0.000 0.417 140 F N 2.488 122.478 119.950 0.066 0.000 2.781 140 F HA 0.329 4.892 4.527 0.061 0.000 0.322 140 F C 1.003 176.854 175.800 0.085 0.000 1.108 140 F CA -0.137 57.911 58.000 0.079 0.000 1.179 140 F CB 0.854 39.892 39.000 0.064 0.000 1.072 140 F HN 0.450 nan 8.300 nan 0.000 0.545 141 E N 0.391 120.722 120.200 0.218 0.000 2.476 141 E HA 0.157 4.546 4.350 0.066 0.000 0.199 141 E C 0.508 177.183 176.600 0.124 0.000 1.021 141 E CA -0.023 56.474 56.400 0.161 0.000 0.907 141 E CB 0.555 30.334 29.700 0.131 0.000 0.974 141 E HN 0.313 nan 8.360 nan 0.000 0.489 142 R N -0.305 120.258 120.500 0.106 0.000 2.817 142 R HA 0.524 4.903 4.340 0.066 0.000 0.268 142 R C -2.942 173.390 176.300 0.052 0.000 1.027 142 R CA -2.113 54.033 56.100 0.077 0.000 0.928 142 R CB 0.720 31.051 30.300 0.053 0.000 1.228 142 R HN -0.268 nan 8.270 nan 0.000 0.469 143 P HA 0.149 nan 4.420 nan 0.000 0.274 143 P C -0.421 176.787 177.300 -0.154 0.000 1.231 143 P CA -0.380 62.630 63.100 -0.150 0.000 0.790 143 P CB 0.845 32.257 31.700 -0.480 0.000 0.951 144 L N 1.280 122.364 121.223 -0.233 0.000 2.454 144 L HA 0.468 4.848 4.340 0.066 0.000 0.256 144 L C 0.729 177.465 176.870 -0.223 0.000 1.136 144 L CA -0.884 53.819 54.840 -0.229 0.000 0.804 144 L CB 0.290 42.132 42.059 -0.362 0.000 1.181 144 L HN 0.288 nan 8.230 nan 0.000 0.469 145 L N 1.933 123.051 121.223 -0.176 0.000 2.365 145 L HA 0.598 4.977 4.340 0.066 0.000 0.273 145 L C -0.915 175.827 176.870 -0.214 0.000 1.000 145 L CA -0.348 54.381 54.840 -0.186 0.000 0.819 145 L CB 1.894 43.878 42.059 -0.124 0.000 1.284 145 L HN 0.657 nan 8.230 nan 0.000 0.418 146 M N 3.845 123.285 119.600 -0.267 0.000 2.518 146 M HA 0.579 5.099 4.480 0.066 0.000 0.300 146 M C -1.157 174.974 176.300 -0.282 0.000 1.175 146 M CA -0.267 54.879 55.300 -0.258 0.000 0.890 146 M CB 2.360 34.798 32.600 -0.269 0.000 1.710 146 M HN 0.724 nan 8.290 nan 0.000 0.453 147 S N 3.433 118.991 115.700 -0.237 0.000 2.661 147 S HA 0.848 5.357 4.470 0.066 0.000 0.285 147 S C -0.961 173.542 174.600 -0.161 0.000 1.138 147 S CA -0.845 57.223 58.200 -0.221 0.000 0.855 147 S CB 1.757 64.815 63.200 -0.238 0.000 1.136 147 S HN 0.715 nan 8.310 nan 0.000 0.484 148 I N 0.387 120.907 120.570 -0.084 0.000 2.892 148 I HA 0.488 4.698 4.170 0.066 0.000 0.306 148 I C -0.820 175.328 176.117 0.052 0.000 1.078 148 I CA -1.127 60.164 61.300 -0.015 0.000 1.032 148 I CB 1.404 39.435 38.000 0.052 0.000 1.229 148 I HN 0.582 nan 8.210 nan 0.000 0.435 149 F N 2.172 122.162 119.950 0.068 0.000 2.553 149 F HA 0.050 4.616 4.527 0.065 0.000 0.356 149 F C 1.743 177.394 175.800 -0.248 0.000 1.142 149 F CA -0.058 57.900 58.000 -0.071 0.000 1.322 149 F CB 0.460 39.407 39.000 -0.088 0.000 1.126 149 F HN 0.486 nan 8.300 nan 0.000 0.599 150 K N 1.179 121.254 120.400 -0.541 0.000 2.025 150 K HA 0.201 4.560 4.320 0.066 0.000 0.207 150 K C 0.796 177.317 176.600 -0.132 0.000 1.049 150 K CA 1.140 57.223 56.287 -0.340 0.000 0.933 150 K CB -0.230 31.992 32.500 -0.463 0.000 0.714 150 K HN 0.691 nan 8.250 nan 0.000 0.438 151 G N -0.829 107.883 108.800 -0.147 0.000 2.660 151 G HA2 0.490 4.489 3.960 0.066 0.000 0.294 151 G HA3 0.490 4.489 3.960 0.066 0.000 0.294 151 G C -0.414 174.358 174.900 -0.213 0.000 1.369 151 G CA -0.804 44.217 45.100 -0.133 0.000 0.912 151 G HN -0.023 nan 8.290 nan 0.000 0.479 152 V N 0.729 120.455 119.914 -0.314 0.000 3.629 152 V HA 0.214 4.373 4.120 0.066 0.000 0.194 152 V C 1.018 176.786 176.094 -0.543 0.000 1.343 152 V CA 0.387 62.325 62.300 -0.604 0.000 1.292 152 V CB -0.195 31.015 31.823 -1.021 0.000 1.287 152 V HN 0.801 nan 8.190 nan 0.000 0.554 153 I N 1.417 121.746 120.570 -0.402 0.000 2.680 153 I HA 0.513 4.722 4.170 0.066 0.000 0.286 153 I C 0.884 176.916 176.117 -0.142 0.000 1.144 153 I CA 1.195 62.357 61.300 -0.231 0.000 1.370 153 I CB -0.430 37.509 38.000 -0.102 0.000 1.420 153 I HN 0.475 nan 8.210 nan 0.000 0.540 154 G N 4.695 113.422 108.800 -0.121 0.000 2.183 154 G HA2 -0.160 3.839 3.960 0.066 0.000 0.168 154 G HA3 -0.160 3.839 3.960 0.066 0.000 0.168 154 G C 0.160 175.014 174.900 -0.076 0.000 1.008 154 G CA -0.606 44.450 45.100 -0.073 0.000 0.677 154 G HN 0.681 nan 8.290 nan 0.000 0.498 155 R N 0.373 120.805 120.500 -0.115 0.000 2.720 155 R HA 0.579 4.958 4.340 0.066 0.000 0.272 155 R C -0.689 175.575 176.300 -0.060 0.000 0.991 155 R CA -0.791 55.254 56.100 -0.093 0.000 1.010 155 R CB 0.827 31.050 30.300 -0.129 0.000 1.141 155 R HN 0.177 nan 8.270 nan 0.000 0.494 156 D N 0.616 120.997 120.400 -0.033 0.000 2.358 156 D HA 0.016 4.695 4.640 0.066 0.000 0.244 156 D C 1.083 177.384 176.300 0.001 0.000 1.163 156 D CA -0.280 53.715 54.000 -0.008 0.000 0.945 156 D CB 0.736 41.535 40.800 -0.001 0.000 1.152 156 D HN 0.253 nan 8.370 nan 0.000 0.451 157 L N 0.641 121.875 121.223 0.019 0.000 2.017 157 L HA -0.214 4.165 4.340 0.066 0.000 0.208 157 L C 1.982 178.869 176.870 0.028 0.000 1.073 157 L CA 1.254 56.113 54.840 0.031 0.000 0.745 157 L CB -0.177 41.901 42.059 0.033 0.000 0.894 157 L HN 0.348 nan 8.230 nan 0.000 0.432 158 S N -0.272 115.441 115.700 0.021 0.000 2.372 158 S HA -0.284 4.226 4.470 0.066 0.000 0.227 158 S C 1.579 176.197 174.600 0.029 0.000 1.044 158 S CA 1.762 59.975 58.200 0.023 0.000 1.050 158 S CB -0.476 62.735 63.200 0.017 0.000 0.901 158 S HN 0.551 nan 8.310 nan 0.000 0.447 159 D N 1.268 121.680 120.400 0.020 0.000 2.108 159 D HA -0.127 4.553 4.640 0.066 0.000 0.190 159 D C 1.887 178.219 176.300 0.054 0.000 0.995 159 D CA 1.322 55.335 54.000 0.022 0.000 0.834 159 D CB -0.329 40.465 40.800 -0.009 0.000 0.967 159 D HN 0.373 nan 8.370 nan 0.000 0.446 160 I N 0.521 121.114 120.570 0.038 0.000 2.194 160 I HA -0.274 3.935 4.170 0.066 0.000 0.246 160 I C 2.544 178.774 176.117 0.190 0.000 1.093 160 I CA 1.168 62.520 61.300 0.087 0.000 1.355 160 I CB -0.165 37.821 38.000 -0.024 0.000 1.046 160 I HN 0.008 nan 8.210 nan 0.000 0.413 161 K N 0.134 120.594 120.400 0.100 0.000 2.097 161 K HA -0.217 4.142 4.320 0.066 0.000 0.205 161 K C 2.063 178.703 176.600 0.067 0.000 1.050 161 K CA 1.253 57.583 56.287 0.072 0.000 0.938 161 K CB -0.110 32.412 32.500 0.038 0.000 0.718 161 K HN 0.104 nan 8.250 nan 0.000 0.442 162 E N 1.303 121.547 120.200 0.072 0.000 2.216 162 E HA -0.114 4.275 4.350 0.066 0.000 0.192 162 E C 1.758 178.408 176.600 0.084 0.000 0.988 162 E CA 1.190 57.627 56.400 0.061 0.000 0.834 162 E CB 0.141 29.873 29.700 0.053 0.000 0.772 162 E HN 0.230 nan 8.360 nan 0.000 0.479 163 Q N -0.378 119.510 119.800 0.147 0.000 2.123 163 Q HA -0.057 4.322 4.340 0.066 0.000 0.199 163 Q C 2.213 178.240 176.000 0.045 0.000 0.966 163 Q CA 0.948 56.875 55.803 0.206 0.000 0.845 163 Q CB 0.006 28.947 28.738 0.338 0.000 0.907 163 Q HN 0.323 nan 8.270 nan 0.000 0.439 164 L N 0.147 121.379 121.223 0.015 0.000 1.994 164 L HA -0.220 4.160 4.340 0.066 0.000 0.208 164 L C 2.697 179.499 176.870 -0.114 0.000 1.071 164 L CA 1.337 56.082 54.840 -0.158 0.000 0.745 164 L CB -0.355 41.625 42.059 -0.131 0.000 0.892 164 L HN 0.182 nan 8.230 nan 0.000 0.431 165 R N -0.534 119.937 120.500 -0.048 0.000 2.083 165 R HA -0.211 4.169 4.340 0.066 0.000 0.237 165 R C 2.394 178.669 176.300 -0.041 0.000 1.137 165 R CA 1.517 57.596 56.100 -0.035 0.000 0.951 165 R CB -0.064 30.230 30.300 -0.011 0.000 0.851 165 R HN 0.319 nan 8.270 nan 0.000 0.434 166 Q N 0.489 120.268 119.800 -0.034 0.000 2.084 166 Q HA -0.192 4.188 4.340 0.066 0.000 0.202 166 Q C 2.101 178.034 176.000 -0.110 0.000 0.978 166 Q CA 1.700 57.471 55.803 -0.053 0.000 0.844 166 Q CB -0.219 28.504 28.738 -0.024 0.000 0.898 166 Q HN 0.561 nan 8.270 nan 0.000 0.426 167 Q N -0.047 119.664 119.800 -0.149 0.000 2.084 167 Q HA -0.086 4.293 4.340 0.066 0.000 0.202 167 Q C 2.066 177.988 176.000 -0.131 0.000 0.978 167 Q CA 1.464 57.146 55.803 -0.202 0.000 0.844 167 Q CB -0.199 28.387 28.738 -0.255 0.000 0.898 167 Q HN 0.399 nan 8.270 nan 0.000 0.426 168 A N 0.823 123.585 122.820 -0.096 0.000 1.902 168 A HA -0.162 4.197 4.320 0.066 0.000 0.217 168 A C 1.974 179.566 177.584 0.013 0.000 1.181 168 A CA 1.164 53.186 52.037 -0.025 0.000 0.623 168 A CB -0.721 18.264 19.000 -0.026 0.000 0.818 168 A HN 0.329 nan 8.150 nan 0.000 0.443 169 L N -0.544 120.665 121.223 -0.025 0.000 2.456 169 L HA -0.067 4.313 4.340 0.066 0.000 0.224 169 L C 2.384 179.214 176.870 -0.066 0.000 1.148 169 L CA 0.565 55.387 54.840 -0.030 0.000 0.825 169 L CB -0.423 41.615 42.059 -0.034 0.000 0.937 169 L HN 0.506 nan 8.230 nan 0.000 0.450 170 G N -1.074 107.672 108.800 -0.089 0.000 2.880 170 G HA2 0.223 4.223 3.960 0.066 0.000 0.209 170 G HA3 0.223 4.223 3.960 0.066 0.000 0.209 170 G C 1.239 176.051 174.900 -0.146 0.000 1.157 170 G CA 0.520 45.547 45.100 -0.120 0.000 0.779 170 G HN 0.467 nan 8.290 nan 0.000 0.539 171 G N -0.750 107.954 108.800 -0.161 0.000 2.141 171 G HA2 -0.103 3.896 3.960 0.066 0.000 0.231 171 G HA3 -0.103 3.896 3.960 0.066 0.000 0.231 171 G C 0.438 175.227 174.900 -0.185 0.000 0.984 171 G CA 0.294 45.149 45.100 -0.407 0.000 0.660 171 G HN 1.438 nan 8.290 nan 0.000 0.525 172 V N -1.758 118.151 119.914 -0.009 0.000 2.715 172 V HA 0.471 4.630 4.120 0.066 0.000 0.299 172 V C 1.224 177.413 176.094 0.159 0.000 1.054 172 V CA 0.548 62.851 62.300 0.004 0.000 1.077 172 V CB 1.180 32.942 31.823 -0.102 0.000 0.972 172 V HN 0.132 nan 8.190 nan 0.000 0.484 173 D N 3.372 123.806 120.400 0.057 0.000 2.183 173 D HA 0.110 4.789 4.640 0.066 0.000 0.203 173 D C 0.571 176.813 176.300 -0.097 0.000 0.969 173 D CA 1.595 55.592 54.000 -0.006 0.000 0.842 173 D CB 0.201 40.965 40.800 -0.060 0.000 0.957 173 D HN 0.736 nan 8.370 nan 0.000 0.484 174 L N -1.728 119.418 121.223 -0.128 0.000 2.465 174 L HA 0.571 4.951 4.340 0.066 0.000 0.257 174 L C -1.061 175.716 176.870 -0.154 0.000 0.988 174 L CA -1.034 53.716 54.840 -0.150 0.000 0.827 174 L CB 2.355 44.286 42.059 -0.214 0.000 1.397 174 L HN -0.334 nan 8.230 nan 0.000 0.410 175 I N 1.929 122.435 120.570 -0.106 0.000 2.433 175 I HA 0.468 4.678 4.170 0.066 0.000 0.292 175 I C -0.562 175.581 176.117 0.044 0.000 1.001 175 I CA -0.486 60.747 61.300 -0.111 0.000 1.119 175 I CB 2.217 40.093 38.000 -0.207 0.000 1.289 175 I HN 0.715 nan 8.210 nan 0.000 0.438 176 K N 3.836 124.247 120.400 0.017 0.000 2.259 176 K HA 0.541 4.901 4.320 0.066 0.000 0.249 176 K C -1.162 175.646 176.600 0.346 0.000 0.942 176 K CA -0.916 55.440 56.287 0.115 0.000 0.816 176 K CB 1.970 34.457 32.500 -0.021 0.000 1.155 176 K HN 0.239 nan 8.250 nan 0.000 0.428 177 D N 1.344 121.991 120.400 0.412 0.000 2.361 177 D HA -0.014 4.666 4.640 0.066 0.000 0.239 177 D C -0.497 175.994 176.300 0.317 0.000 1.200 177 D CA 0.224 54.548 54.000 0.540 0.000 0.915 177 D CB 0.663 41.614 40.800 0.252 0.000 1.170 177 D HN 0.539 nan 8.370 nan 0.000 0.444 178 D N 0.168 120.744 120.400 0.293 0.000 2.382 178 D HA -0.031 4.649 4.640 0.066 0.000 0.245 178 D C 0.640 176.911 176.300 -0.048 0.000 1.120 178 D CA -0.126 53.921 54.000 0.079 0.000 0.890 178 D CB 0.790 41.578 40.800 -0.021 0.000 1.201 178 D HN 0.280 nan 8.370 nan 0.000 0.433 179 E N 2.349 122.439 120.200 -0.183 0.000 2.401 179 E HA -0.129 4.260 4.350 0.066 0.000 0.199 179 E C 1.391 177.752 176.600 -0.399 0.000 1.023 179 E CA 0.868 57.066 56.400 -0.338 0.000 0.859 179 E CB -0.500 28.789 29.700 -0.685 0.000 0.780 179 E HN 0.620 nan 8.360 nan 0.000 0.523 180 I N -2.716 117.643 120.570 -0.351 0.000 3.856 180 I HA 0.289 4.498 4.170 0.066 0.000 0.333 180 I C -0.233 175.501 176.117 -0.638 0.000 1.525 180 I CA -0.680 60.319 61.300 -0.502 0.000 1.173 180 I CB -0.035 37.975 38.000 0.018 0.000 1.175 180 I HN -0.109 nan 8.210 nan 0.000 0.424 181 F N 3.072 122.575 119.950 -0.745 0.000 2.462 181 F HA 0.466 5.033 4.527 0.065 0.000 0.354 181 F C -0.602 174.870 175.800 -0.545 0.000 1.192 181 F CA -0.870 56.856 58.000 -0.457 0.000 1.173 181 F CB 0.239 39.062 39.000 -0.295 0.000 1.402 181 F HN -0.031 nan 8.300 nan 0.000 0.595 182 F N 1.957 122.091 119.950 0.306 0.000 2.461 182 F HA 0.294 4.860 4.527 0.066 0.000 0.337 182 F C 0.739 176.622 175.800 0.137 0.000 1.079 182 F CA -1.047 57.039 58.000 0.143 0.000 1.032 182 F CB 0.416 39.460 39.000 0.074 0.000 1.327 182 F HN 0.112 nan 8.300 nan 0.000 0.491 183 E N 0.460 120.820 120.200 0.268 0.000 2.222 183 E HA 0.036 4.426 4.350 0.066 0.000 0.312 183 E C 0.664 177.353 176.600 0.148 0.000 1.263 183 E CA 0.209 56.701 56.400 0.154 0.000 1.356 183 E CB -0.127 29.620 29.700 0.079 0.000 1.180 183 E HN 0.552 nan 8.360 nan 0.000 0.494 184 T N -0.830 113.831 114.554 0.178 0.000 3.044 184 T HA 0.232 4.621 4.350 0.066 0.000 0.250 184 T C 1.128 175.884 174.700 0.093 0.000 1.081 184 T CA 0.971 63.146 62.100 0.126 0.000 1.040 184 T CB 0.277 69.227 68.868 0.136 0.000 0.962 184 T HN 0.560 nan 8.240 nan 0.000 0.506 185 G N 0.375 109.237 108.800 0.103 0.000 3.709 185 G HA2 -0.105 3.894 3.960 0.066 0.000 0.196 185 G HA3 -0.105 3.894 3.960 0.066 0.000 0.196 185 G C 0.694 175.640 174.900 0.076 0.000 1.177 185 G CA 0.200 45.346 45.100 0.076 0.000 0.906 185 G HN 0.276 nan 8.290 nan 0.000 0.416 186 L N 1.480 122.754 121.223 0.086 0.000 2.127 186 L HA 0.576 4.956 4.340 0.066 0.000 0.203 186 L C 1.796 178.724 176.870 0.095 0.000 1.080 186 L CA 2.243 57.127 54.840 0.073 0.000 0.768 186 L CB -0.567 41.522 42.059 0.048 0.000 0.924 186 L HN 0.612 nan 8.230 nan 0.000 0.444 187 A N 0.704 123.622 122.820 0.163 0.000 3.064 187 A HA 0.501 4.861 4.320 0.066 0.000 0.339 187 A C -2.353 175.287 177.584 0.092 0.000 1.078 187 A CA -1.284 50.851 52.037 0.164 0.000 0.869 187 A CB -0.203 18.992 19.000 0.326 0.000 1.067 187 A HN 0.052 nan 8.150 nan 0.000 0.480 188 P HA -0.036 nan 4.420 nan 0.000 0.263 188 P C 0.911 178.237 177.300 0.044 0.000 1.175 188 P CA 0.068 63.206 63.100 0.064 0.000 0.761 188 P CB 0.243 31.981 31.700 0.062 0.000 0.794 189 F N 3.578 123.460 119.950 -0.114 0.000 2.048 189 F HA -0.351 4.213 4.527 0.063 0.000 0.296 189 F C 1.916 177.657 175.800 -0.099 0.000 1.109 189 F CA 1.842 59.754 58.000 -0.147 0.000 1.214 189 F CB -0.073 38.860 39.000 -0.111 0.000 0.963 189 F HN 0.411 nan 8.300 nan 0.000 0.491 190 E N -0.835 119.300 120.200 -0.108 0.000 2.150 190 E HA -0.183 4.207 4.350 0.066 0.000 0.193 190 E C 2.090 178.601 176.600 -0.147 0.000 0.985 190 E CA 1.711 57.982 56.400 -0.216 0.000 0.814 190 E CB -0.349 29.318 29.700 -0.055 0.000 0.752 190 E HN 0.617 nan 8.360 nan 0.000 0.466 191 T N -0.910 113.602 114.554 -0.070 0.000 2.985 191 T HA 0.007 4.397 4.350 0.066 0.000 0.266 191 T C 1.858 176.536 174.700 -0.036 0.000 1.076 191 T CA 0.188 62.264 62.100 -0.040 0.000 1.135 191 T CB -0.027 68.838 68.868 -0.006 0.000 0.890 191 T HN 0.023 nan 8.240 nan 0.000 0.480 192 R N 0.675 121.143 120.500 -0.054 0.000 2.081 192 R HA 0.117 4.496 4.340 0.066 0.000 0.235 192 R C 2.443 178.796 176.300 0.089 0.000 1.131 192 R CA 1.396 57.508 56.100 0.020 0.000 0.960 192 R CB -0.599 29.689 30.300 -0.019 0.000 0.856 192 R HN 0.431 nan 8.270 nan 0.000 0.436 193 I N 0.737 121.254 120.570 -0.088 0.000 2.142 193 I HA -0.278 3.932 4.170 0.066 0.000 0.240 193 I C 2.696 178.795 176.117 -0.030 0.000 1.078 193 I CA 1.423 62.663 61.300 -0.101 0.000 1.343 193 I CB -0.507 37.288 38.000 -0.343 0.000 1.046 193 I HN 0.166 nan 8.210 nan 0.000 0.405 194 A N 0.323 123.107 122.820 -0.060 0.000 1.908 194 A HA -0.204 4.155 4.320 0.066 0.000 0.218 194 A C 2.240 179.819 177.584 -0.009 0.000 1.181 194 A CA 1.602 53.619 52.037 -0.034 0.000 0.627 194 A CB -0.455 18.523 19.000 -0.037 0.000 0.818 194 A HN 0.372 nan 8.150 nan 0.000 0.445 195 E N -0.469 119.730 120.200 -0.001 0.000 2.028 195 E HA -0.116 4.273 4.350 0.066 0.000 0.191 195 E C 2.261 178.857 176.600 -0.007 0.000 0.988 195 E CA 1.231 57.632 56.400 0.001 0.000 0.799 195 E CB -0.981 28.724 29.700 0.007 0.000 0.755 195 E HN 0.551 nan 8.360 nan 0.000 0.447 196 G N 1.755 110.554 108.800 -0.002 0.000 2.442 196 G HA2 -0.319 3.680 3.960 0.066 0.000 0.219 196 G HA3 -0.319 3.680 3.960 0.066 0.000 0.219 196 G C 1.616 176.510 174.900 -0.009 0.000 1.141 196 G CA 1.099 46.156 45.100 -0.072 0.000 0.763 196 G HN 0.248 nan 8.290 nan 0.000 0.554 197 K N -0.272 120.148 120.400 0.034 0.000 2.057 197 K HA -0.163 4.197 4.320 0.066 0.000 0.207 197 K C 2.515 179.113 176.600 -0.003 0.000 1.049 197 K CA 1.681 57.976 56.287 0.013 0.000 0.931 197 K CB -0.120 32.380 32.500 -0.000 0.000 0.714 197 K HN 0.300 nan 8.250 nan 0.000 0.440 198 Q N 1.070 120.868 119.800 -0.003 0.000 2.083 198 Q HA -0.033 4.346 4.340 0.066 0.000 0.198 198 Q C 1.831 177.832 176.000 0.001 0.000 0.969 198 Q CA 1.501 57.304 55.803 -0.000 0.000 0.838 198 Q CB -0.112 28.625 28.738 -0.000 0.000 0.900 198 Q HN 0.438 nan 8.270 nan 0.000 0.436 199 I N -0.230 120.334 120.570 -0.009 0.000 2.226 199 I HA -0.251 3.958 4.170 0.066 0.000 0.245 199 I C 1.886 177.998 176.117 -0.008 0.000 1.100 199 I CA 0.906 62.199 61.300 -0.013 0.000 1.374 199 I CB -0.171 37.809 38.000 -0.032 0.000 1.057 199 I HN 0.200 nan 8.210 nan 0.000 0.413 200 L N 0.435 121.648 121.223 -0.017 0.000 2.313 200 L HA -0.146 4.234 4.340 0.066 0.000 0.214 200 L C 2.543 179.434 176.870 0.035 0.000 1.119 200 L CA 0.876 55.713 54.840 -0.006 0.000 0.809 200 L CB -0.516 41.525 42.059 -0.031 0.000 0.933 200 L HN 0.253 nan 8.230 nan 0.000 0.449 201 K N 1.167 121.585 120.400 0.029 0.000 2.025 201 K HA -0.200 4.160 4.320 0.066 0.000 0.207 201 K C 1.961 178.628 176.600 0.112 0.000 1.049 201 K CA 1.759 58.083 56.287 0.062 0.000 0.933 201 K CB 0.055 32.574 32.500 0.031 0.000 0.714 201 K HN 0.481 nan 8.250 nan 0.000 0.438 202 E N 0.063 120.300 120.200 0.063 0.000 2.216 202 E HA -0.121 4.269 4.350 0.066 0.000 0.192 202 E C 1.750 178.376 176.600 0.043 0.000 0.988 202 E CA 1.490 57.919 56.400 0.049 0.000 0.834 202 E CB -0.392 29.322 29.700 0.024 0.000 0.772 202 E HN 0.413 nan 8.360 nan 0.000 0.479 203 T N -0.848 113.736 114.554 0.050 0.000 2.821 203 T HA -0.249 4.140 4.350 0.066 0.000 0.267 203 T C 1.947 176.684 174.700 0.061 0.000 1.046 203 T CA 1.145 63.270 62.100 0.042 0.000 1.139 203 T CB -0.781 68.111 68.868 0.040 0.000 0.871 203 T HN 0.399 nan 8.240 nan 0.000 0.454 204 Y N 1.889 122.182 120.300 -0.013 0.000 2.293 204 Y HA 0.038 4.628 4.550 0.067 0.000 0.291 204 Y C 2.405 178.303 175.900 -0.003 0.000 1.137 204 Y CA 1.458 59.550 58.100 -0.014 0.000 1.202 204 Y CB -0.243 38.191 38.460 -0.043 0.000 0.990 204 Y HN 0.180 nan 8.280 nan 0.000 0.537 205 E N 0.339 120.510 120.200 -0.048 0.000 2.110 205 E HA -0.250 4.139 4.350 0.066 0.000 0.193 205 E C 2.206 178.716 176.600 -0.150 0.000 0.988 205 E CA 1.843 58.177 56.400 -0.109 0.000 0.804 205 E CB -0.163 29.544 29.700 0.011 0.000 0.745 205 E HN 0.820 nan 8.360 nan 0.000 0.458 206 Q N -1.494 118.248 119.800 -0.096 0.000 2.297 206 Q HA 0.005 4.384 4.340 0.066 0.000 0.203 206 Q C 1.918 177.864 176.000 -0.090 0.000 0.931 206 Q CA 1.521 57.278 55.803 -0.077 0.000 0.885 206 Q CB -0.060 28.655 28.738 -0.039 0.000 0.991 206 Q HN 0.099 nan 8.270 nan 0.000 0.498 207 T N -1.404 113.093 114.554 -0.093 0.000 3.037 207 T HA 0.270 4.659 4.350 0.066 0.000 0.251 207 T C 1.148 175.789 174.700 -0.099 0.000 1.079 207 T CA 0.935 62.997 62.100 -0.063 0.000 1.067 207 T CB -0.149 68.722 68.868 0.005 0.000 0.948 207 T HN 0.711 nan 8.240 nan 0.000 0.496 208 G N 0.990 109.626 108.800 -0.273 0.000 2.162 208 G HA2 -0.250 3.749 3.960 0.066 0.000 0.260 208 G HA3 -0.250 3.749 3.960 0.066 0.000 0.260 208 G C -0.051 174.793 174.900 -0.093 0.000 0.976 208 G CA 0.591 45.468 45.100 -0.373 0.000 0.655 208 G HN 0.790 nan 8.290 nan 0.000 0.533 209 H N 0.441 119.484 119.070 -0.044 0.000 2.467 209 H HA 0.654 5.249 4.556 0.065 0.000 0.326 209 H C 0.091 175.608 175.328 0.315 0.000 1.094 209 H CA -0.533 55.586 56.048 0.118 0.000 1.253 209 H CB 0.978 30.761 29.762 0.035 0.000 1.439 209 H HN 0.202 nan 8.280 nan 0.000 0.479 210 K N 3.717 123.957 120.400 -0.266 0.000 2.211 210 K HA 0.328 4.688 4.320 0.066 0.000 0.275 210 K C -0.888 175.406 176.600 -0.509 0.000 1.024 210 K CA -0.502 55.625 56.287 -0.267 0.000 0.887 210 K CB 0.631 32.976 32.500 -0.259 0.000 1.084 210 K HN 0.795 nan 8.250 nan 0.000 0.463 211 T N 2.552 116.940 114.554 -0.277 0.000 2.893 211 T HA 0.480 4.869 4.350 0.066 0.000 0.293 211 T C -0.595 174.030 174.700 -0.125 0.000 1.027 211 T CA -0.924 61.059 62.100 -0.195 0.000 0.988 211 T CB 0.781 69.592 68.868 -0.096 0.000 1.043 211 T HN 0.423 nan 8.240 nan 0.000 0.461 212 L N 2.966 124.126 121.223 -0.106 0.000 2.334 212 L HA 0.606 4.986 4.340 0.066 0.000 0.272 212 L C -1.012 175.861 176.870 0.004 0.000 1.020 212 L CA -1.388 53.411 54.840 -0.067 0.000 0.812 212 L CB 1.497 43.501 42.059 -0.093 0.000 1.264 212 L HN 0.709 nan 8.230 nan 0.000 0.439 213 Y N 1.732 121.955 120.300 -0.129 0.000 2.328 213 Y HA 0.653 5.244 4.550 0.067 0.000 0.336 213 Y C -0.424 175.410 175.900 -0.110 0.000 0.960 213 Y CA -1.631 56.405 58.100 -0.106 0.000 1.134 213 Y CB 1.478 39.900 38.460 -0.063 0.000 1.166 213 Y HN 0.542 nan 8.280 nan 0.000 0.464 214 A N 6.706 129.413 122.820 -0.188 0.000 2.252 214 A HA 0.654 5.013 4.320 0.066 0.000 0.309 214 A C -1.121 176.156 177.584 -0.511 0.000 1.285 214 A CA -0.572 51.267 52.037 -0.331 0.000 0.900 214 A CB -0.104 18.741 19.000 -0.257 0.000 1.157 214 A HN 0.543 nan 8.150 nan 0.000 0.536 215 V N 3.076 122.630 119.914 -0.599 0.000 2.509 215 V HA 0.159 4.318 4.120 0.066 0.000 0.284 215 V C 0.582 176.587 176.094 -0.149 0.000 1.047 215 V CA -0.927 61.061 62.300 -0.520 0.000 0.952 215 V CB 1.222 32.735 31.823 -0.516 0.000 0.988 215 V HN 0.902 nan 8.190 nan 0.000 0.469 216 N N 3.533 122.169 118.700 -0.107 0.000 2.468 216 N HA 0.129 4.908 4.740 0.066 0.000 0.265 216 N C -0.768 174.740 175.510 -0.004 0.000 1.199 216 N CA 0.094 53.109 53.050 -0.059 0.000 0.928 216 N CB 0.528 38.932 38.487 -0.139 0.000 1.059 216 N HN 0.688 nan 8.380 nan 0.000 0.467 217 L N 3.708 124.942 121.223 0.019 0.000 2.264 217 L HA 0.373 4.752 4.340 0.066 0.000 0.287 217 L C 0.148 177.019 176.870 0.001 0.000 1.039 217 L CA -0.129 54.669 54.840 -0.070 0.000 0.829 217 L CB 0.292 42.347 42.059 -0.007 0.000 1.211 217 L HN 0.754 nan 8.230 nan 0.000 0.427 218 T N 0.573 115.073 114.554 -0.089 0.000 2.693 218 T HA 0.930 5.319 4.350 0.066 0.000 0.278 218 T C 0.101 174.860 174.700 0.097 0.000 0.994 218 T CA -0.060 62.124 62.100 0.140 0.000 1.033 218 T CB 2.090 71.138 68.868 0.299 0.000 1.342 218 T HN 0.923 nan 8.240 nan 0.000 0.538 219 G N 0.469 109.396 108.800 0.213 0.000 2.526 219 G HA2 0.082 4.082 3.960 0.066 0.000 0.250 219 G HA3 0.082 4.082 3.960 0.066 0.000 0.250 219 G C -1.051 173.966 174.900 0.196 0.000 1.289 219 G CA -0.905 44.268 45.100 0.122 0.000 0.947 219 G HN 0.831 nan 8.290 nan 0.000 0.517 220 R N 0.103 120.671 120.500 0.114 0.000 2.623 220 R HA 0.333 4.712 4.340 0.066 0.000 0.271 220 R C 1.928 178.349 176.300 0.202 0.000 1.043 220 R CA 0.548 56.727 56.100 0.133 0.000 1.083 220 R CB -0.387 29.951 30.300 0.063 0.000 0.974 220 R HN 0.689 nan 8.270 nan 0.000 0.436 221 T N 2.334 117.053 114.554 0.274 0.000 2.665 221 T HA -0.241 4.148 4.350 0.066 0.000 0.268 221 T C 1.790 176.557 174.700 0.111 0.000 1.035 221 T CA 2.198 64.460 62.100 0.271 0.000 1.151 221 T CB -0.094 68.943 68.868 0.282 0.000 0.862 221 T HN 0.717 nan 8.240 nan 0.000 0.438 222 A N 1.655 124.526 122.820 0.084 0.000 2.032 222 A HA -0.166 4.193 4.320 0.066 0.000 0.221 222 A C 1.884 179.478 177.584 0.018 0.000 1.165 222 A CA 1.743 53.806 52.037 0.043 0.000 0.645 222 A CB -0.378 18.644 19.000 0.037 0.000 0.807 222 A HN 0.459 nan 8.150 nan 0.000 0.453 223 D N -0.765 119.645 120.400 0.016 0.000 2.369 223 D HA 0.148 4.827 4.640 0.066 0.000 0.211 223 D C 1.731 178.003 176.300 -0.048 0.000 1.077 223 D CA -0.015 53.978 54.000 -0.012 0.000 0.842 223 D CB 0.037 40.830 40.800 -0.012 0.000 0.947 223 D HN 0.436 nan 8.370 nan 0.000 0.509 224 L N 0.756 121.943 121.223 -0.060 0.000 2.013 224 L HA -0.210 4.169 4.340 0.066 0.000 0.212 224 L C 2.507 179.294 176.870 -0.139 0.000 1.073 224 L CA 1.154 55.913 54.840 -0.136 0.000 0.753 224 L CB -0.398 41.538 42.059 -0.205 0.000 0.890 224 L HN -0.097 nan 8.230 nan 0.000 0.432 225 K N 0.104 120.440 120.400 -0.106 0.000 2.020 225 K HA -0.267 4.092 4.320 0.066 0.000 0.212 225 K C 1.789 178.356 176.600 -0.054 0.000 1.050 225 K CA 2.205 58.440 56.287 -0.086 0.000 0.929 225 K CB -0.544 31.921 32.500 -0.058 0.000 0.714 225 K HN 0.328 nan 8.250 nan 0.000 0.443 226 D N 0.498 120.876 120.400 -0.037 0.000 2.117 226 D HA -0.120 4.560 4.640 0.066 0.000 0.197 226 D C 1.630 177.932 176.300 0.002 0.000 0.987 226 D CA 1.424 55.416 54.000 -0.014 0.000 0.829 226 D CB 0.183 40.979 40.800 -0.007 0.000 0.961 226 D HN 0.133 nan 8.370 nan 0.000 0.460 227 K N -0.113 120.275 120.400 -0.020 0.000 2.147 227 K HA -0.052 4.307 4.320 0.066 0.000 0.205 227 K C 2.090 178.753 176.600 0.107 0.000 1.049 227 K CA 1.042 57.340 56.287 0.017 0.000 0.936 227 K CB -0.071 32.315 32.500 -0.190 0.000 0.722 227 K HN 0.153 nan 8.250 nan 0.000 0.446 228 A N 1.501 124.326 122.820 0.008 0.000 1.930 228 A HA -0.089 4.271 4.320 0.066 0.000 0.215 228 A C 2.007 179.603 177.584 0.020 0.000 1.176 228 A CA 0.841 52.884 52.037 0.011 0.000 0.632 228 A CB -0.197 18.751 19.000 -0.088 0.000 0.819 228 A HN 0.159 nan 8.150 nan 0.000 0.445 229 R N -0.760 119.745 120.500 0.008 0.000 2.075 229 R HA -0.039 4.340 4.340 0.066 0.000 0.232 229 R C 2.296 178.608 176.300 0.019 0.000 1.126 229 R CA 1.091 57.196 56.100 0.008 0.000 0.963 229 R CB -0.295 30.006 30.300 0.001 0.000 0.858 229 R HN 0.292 nan 8.270 nan 0.000 0.435 230 R N 0.656 121.181 120.500 0.041 0.000 2.105 230 R HA -0.065 4.314 4.340 0.066 0.000 0.239 230 R C 2.201 178.510 176.300 0.015 0.000 1.135 230 R CA 1.463 57.588 56.100 0.041 0.000 0.967 230 R CB -0.697 29.653 30.300 0.083 0.000 0.861 230 R HN 0.246 nan 8.270 nan 0.000 0.442 231 A N 1.105 123.950 122.820 0.041 0.000 1.908 231 A HA -0.119 4.241 4.320 0.066 0.000 0.218 231 A C 2.405 179.950 177.584 -0.066 0.000 1.181 231 A CA 1.972 53.974 52.037 -0.058 0.000 0.627 231 A CB -0.596 18.416 19.000 0.019 0.000 0.818 231 A HN 0.359 nan 8.150 nan 0.000 0.445 232 A N -0.209 122.596 122.820 -0.025 0.000 1.902 232 A HA -0.171 4.188 4.320 0.066 0.000 0.217 232 A C 1.914 179.486 177.584 -0.020 0.000 1.181 232 A CA 1.660 53.686 52.037 -0.019 0.000 0.623 232 A CB -0.569 18.434 19.000 0.004 0.000 0.818 232 A HN 0.643 nan 8.150 nan 0.000 0.443 233 E N -0.103 120.088 120.200 -0.016 0.000 2.077 233 E HA -0.128 4.261 4.350 0.066 0.000 0.193 233 E C 1.742 178.325 176.600 -0.028 0.000 0.989 233 E CA 1.108 57.499 56.400 -0.015 0.000 0.800 233 E CB -0.299 29.396 29.700 -0.008 0.000 0.746 233 E HN 0.608 nan 8.360 nan 0.000 0.452 234 L N -0.317 120.878 121.223 -0.047 0.000 2.465 234 L HA 0.018 4.398 4.340 0.066 0.000 0.224 234 L C 1.239 178.069 176.870 -0.066 0.000 1.145 234 L CA 0.555 55.356 54.840 -0.065 0.000 0.834 234 L CB -0.223 41.772 42.059 -0.107 0.000 0.944 234 L HN 0.346 nan 8.230 nan 0.000 0.451 235 G N 0.082 108.846 108.800 -0.061 0.000 2.165 235 G HA2 -0.191 3.808 3.960 0.066 0.000 0.226 235 G HA3 -0.191 3.808 3.960 0.066 0.000 0.226 235 G C 0.311 175.165 174.900 -0.077 0.000 1.035 235 G CA -0.116 44.951 45.100 -0.056 0.000 0.744 235 G HN 0.482 nan 8.290 nan 0.000 0.501 236 A N -0.355 122.399 122.820 -0.109 0.000 2.466 236 A HA 0.529 4.888 4.320 0.066 0.000 0.238 236 A C 1.259 178.767 177.584 -0.126 0.000 1.074 236 A CA 0.856 52.806 52.037 -0.146 0.000 0.774 236 A CB 0.365 19.246 19.000 -0.198 0.000 1.015 236 A HN 0.249 nan 8.150 nan 0.000 0.498 237 D N 0.179 120.498 120.400 -0.134 0.000 2.216 237 D HA 0.332 5.011 4.640 0.066 0.000 0.208 237 D C 0.654 176.849 176.300 -0.175 0.000 0.960 237 D CA 1.791 55.710 54.000 -0.135 0.000 0.861 237 D CB 0.239 40.981 40.800 -0.097 0.000 0.985 237 D HN 0.767 nan 8.370 nan 0.000 0.493 238 A N -0.116 122.595 122.820 -0.182 0.000 2.601 238 A HA 0.616 4.975 4.320 0.066 0.000 0.291 238 A C -1.838 175.650 177.584 -0.160 0.000 1.075 238 A CA -0.635 51.307 52.037 -0.157 0.000 0.671 238 A CB 0.853 19.768 19.000 -0.142 0.000 1.277 238 A HN 0.031 nan 8.150 nan 0.000 0.417 239 L N 1.278 122.444 121.223 -0.094 0.000 2.325 239 L HA 0.526 4.906 4.340 0.066 0.000 0.281 239 L C -0.783 176.075 176.870 -0.020 0.000 1.004 239 L CA -0.820 53.982 54.840 -0.063 0.000 0.823 239 L CB 1.633 43.662 42.059 -0.049 0.000 1.236 239 L HN 0.693 nan 8.230 nan 0.000 0.415 240 L N 3.810 125.019 121.223 -0.023 0.000 2.290 240 L HA 0.485 4.864 4.340 0.066 0.000 0.284 240 L C -1.167 175.788 176.870 0.142 0.000 1.078 240 L CA 0.423 55.277 54.840 0.022 0.000 0.815 240 L CB 0.703 42.745 42.059 -0.028 0.000 1.162 240 L HN 0.386 nan 8.230 nan 0.000 0.435 241 F N 4.782 124.706 119.950 -0.042 0.000 2.562 241 F HA 0.452 5.015 4.527 0.061 0.000 0.319 241 F C -0.132 175.664 175.800 -0.006 0.000 1.154 241 F CA -0.866 57.096 58.000 -0.063 0.000 0.931 241 F CB 1.270 40.201 39.000 -0.116 0.000 1.198 241 F HN 0.483 nan 8.300 nan 0.000 0.444 242 N N 6.018 124.442 118.700 -0.459 0.000 2.895 242 N HA 0.085 4.864 4.740 0.066 0.000 0.277 242 N C 1.354 176.504 175.510 -0.599 0.000 1.185 242 N CA 0.132 52.999 53.050 -0.305 0.000 1.106 242 N CB 0.984 39.429 38.487 -0.070 0.000 1.422 242 N HN 0.500 nan 8.380 nan 0.000 0.521 243 V N 0.292 119.782 119.914 -0.707 0.000 2.317 243 V HA -0.275 3.884 4.120 0.066 0.000 0.251 243 V C 1.471 177.202 176.094 -0.604 0.000 1.065 243 V CA 1.703 63.573 62.300 -0.717 0.000 1.049 243 V CB -0.717 30.645 31.823 -0.769 0.000 0.651 243 V HN 0.478 nan 8.190 nan 0.000 0.450 244 F N 0.326 120.181 119.950 -0.159 0.000 2.802 244 F HA 0.244 4.807 4.527 0.061 0.000 0.300 244 F C 2.139 177.880 175.800 -0.098 0.000 1.168 244 F CA 0.628 58.497 58.000 -0.217 0.000 1.433 244 F CB -0.427 38.346 39.000 -0.378 0.000 1.115 244 F HN 0.104 nan 8.300 nan 0.000 0.582 245 A N -1.497 121.318 122.820 -0.009 0.000 2.147 245 A HA 0.099 4.458 4.320 0.066 0.000 0.211 245 A C 1.107 178.525 177.584 -0.276 0.000 1.160 245 A CA 0.773 52.748 52.037 -0.104 0.000 0.781 245 A CB -0.303 18.599 19.000 -0.162 0.000 0.842 245 A HN 0.368 nan 8.150 nan 0.000 0.475 246 Y N -0.893 119.325 120.300 -0.135 0.000 2.972 246 Y HA 0.507 5.097 4.550 0.067 0.000 0.211 246 Y C 1.262 177.164 175.900 0.003 0.000 0.969 246 Y CA 0.163 58.233 58.100 -0.050 0.000 1.574 246 Y CB 0.096 38.539 38.460 -0.029 0.000 1.364 246 Y HN 0.318 nan 8.280 nan 0.000 0.467 247 G N -1.020 107.888 108.800 0.181 0.000 2.386 247 G HA2 0.177 4.176 3.960 0.066 0.000 0.302 247 G HA3 0.177 4.176 3.960 0.066 0.000 0.302 247 G C -0.375 174.574 174.900 0.081 0.000 1.629 247 G CA -0.709 44.456 45.100 0.109 0.000 0.917 247 G HN 0.199 nan 8.290 nan 0.000 0.676 248 L N 0.217 121.457 121.223 0.027 0.000 2.079 248 L HA -0.069 4.311 4.340 0.066 0.000 0.210 248 L C 2.484 179.396 176.870 0.070 0.000 1.081 248 L CA 2.068 56.920 54.840 0.019 0.000 0.752 248 L CB -0.119 41.953 42.059 0.022 0.000 0.896 248 L HN 0.751 nan 8.230 nan 0.000 0.433 249 D N -0.539 119.918 120.400 0.096 0.000 2.218 249 D HA -0.142 4.537 4.640 0.066 0.000 0.204 249 D C 2.064 178.412 176.300 0.081 0.000 0.976 249 D CA 0.725 54.784 54.000 0.099 0.000 0.853 249 D CB 0.258 41.124 40.800 0.110 0.000 0.939 249 D HN 0.031 nan 8.370 nan 0.000 0.481 250 V N 0.453 120.430 119.914 0.106 0.000 2.270 250 V HA -0.230 3.930 4.120 0.066 0.000 0.245 250 V C 2.501 178.589 176.094 -0.009 0.000 1.043 250 V CA 1.904 64.258 62.300 0.090 0.000 1.014 250 V CB -0.596 31.357 31.823 0.217 0.000 0.645 250 V HN 0.355 nan 8.190 nan 0.000 0.447 251 M N -0.366 119.271 119.600 0.062 0.000 2.149 251 M HA -0.274 4.245 4.480 0.066 0.000 0.261 251 M C 2.320 178.578 176.300 -0.069 0.000 1.064 251 M CA 2.056 57.314 55.300 -0.069 0.000 1.102 251 M CB -0.275 32.385 32.600 0.099 0.000 1.369 251 M HN 0.385 nan 8.290 nan 0.000 0.408 252 Q N -0.403 119.397 119.800 -0.001 0.000 2.124 252 Q HA -0.146 4.234 4.340 0.066 0.000 0.202 252 Q C 1.902 177.899 176.000 -0.005 0.000 0.977 252 Q CA 1.790 57.603 55.803 0.016 0.000 0.850 252 Q CB -0.405 28.368 28.738 0.059 0.000 0.901 252 Q HN 0.715 nan 8.270 nan 0.000 0.429 253 G N 0.720 109.509 108.800 -0.018 0.000 2.440 253 G HA2 -0.231 3.768 3.960 0.066 0.000 0.218 253 G HA3 -0.231 3.768 3.960 0.066 0.000 0.218 253 G C 1.241 176.102 174.900 -0.065 0.000 1.154 253 G CA 0.685 45.767 45.100 -0.030 0.000 0.767 253 G HN 0.254 nan 8.290 nan 0.000 0.552 254 L N 1.224 122.370 121.223 -0.127 0.000 2.056 254 L HA 0.174 4.553 4.340 0.066 0.000 0.207 254 L C 3.199 180.018 176.870 -0.084 0.000 1.078 254 L CA 1.452 56.199 54.840 -0.156 0.000 0.749 254 L CB -1.157 40.717 42.059 -0.308 0.000 0.901 254 L HN 0.290 nan 8.230 nan 0.000 0.433 255 A N -0.909 121.875 122.820 -0.060 0.000 2.015 255 A HA -0.147 4.213 4.320 0.066 0.000 0.219 255 A C 2.089 179.677 177.584 0.007 0.000 1.163 255 A CA 1.198 53.231 52.037 -0.006 0.000 0.646 255 A CB -0.367 18.640 19.000 0.012 0.000 0.806 255 A HN 0.525 nan 8.150 nan 0.000 0.448 256 E N -0.231 119.968 120.200 -0.001 0.000 2.442 256 E HA -0.028 4.362 4.350 0.066 0.000 0.195 256 E C -0.261 176.335 176.600 -0.007 0.000 1.030 256 E CA -0.094 56.308 56.400 0.002 0.000 0.869 256 E CB 0.112 29.818 29.700 0.010 0.000 0.857 256 E HN 0.403 nan 8.360 nan 0.000 0.505 257 D N 1.865 122.257 120.400 -0.013 0.000 2.344 257 D HA 0.003 4.682 4.640 0.066 0.000 0.253 257 D C -1.393 174.903 176.300 -0.007 0.000 1.255 257 D CA -2.311 51.681 54.000 -0.015 0.000 0.894 257 D CB 1.135 41.919 40.800 -0.026 0.000 1.067 257 D HN -0.056 nan 8.370 nan 0.000 0.492 258 P HA -0.119 nan 4.420 nan 0.000 0.225 258 P C 0.500 177.800 177.300 0.001 0.000 1.148 258 P CA 0.740 63.835 63.100 -0.008 0.000 0.779 258 P CB 0.507 32.199 31.700 -0.014 0.000 0.780 259 E N -0.271 119.929 120.200 -0.001 0.000 2.502 259 E HA 0.092 4.481 4.350 0.066 0.000 0.194 259 E C 0.955 177.560 176.600 0.008 0.000 1.062 259 E CA 0.315 56.717 56.400 0.002 0.000 0.867 259 E CB 0.072 29.770 29.700 -0.003 0.000 0.888 259 E HN 0.473 nan 8.360 nan 0.000 0.510 260 I N 3.020 123.599 120.570 0.014 0.000 2.859 260 I HA 0.114 4.323 4.170 0.066 0.000 0.296 260 I C -2.102 174.062 176.117 0.078 0.000 1.300 260 I CA -1.513 59.801 61.300 0.023 0.000 1.020 260 I CB 1.178 39.173 38.000 -0.008 0.000 1.823 260 I HN -0.275 nan 8.210 nan 0.000 0.599 261 P HA 0.129 nan 4.420 nan 0.000 0.228 261 P C -0.289 177.223 177.300 0.354 0.000 1.748 261 P CA 0.274 63.506 63.100 0.220 0.000 0.909 261 P CB 0.254 32.038 31.700 0.141 0.000 1.882 262 V N 2.854 122.912 119.914 0.241 0.000 2.686 262 V HA 0.346 4.506 4.120 0.066 0.000 0.306 262 V C -2.169 173.860 176.094 -0.109 0.000 1.065 262 V CA -2.319 59.956 62.300 -0.042 0.000 0.894 262 V CB 2.944 34.731 31.823 -0.061 0.000 1.004 262 V HN 0.097 nan 8.190 nan 0.000 0.424 263 P HA 0.280 nan 4.420 nan 0.000 0.270 263 P C -0.887 176.427 177.300 0.024 0.000 1.223 263 P CA 0.045 63.025 63.100 -0.201 0.000 0.785 263 P CB 1.191 32.695 31.700 -0.327 0.000 0.923 264 I N 1.988 122.630 120.570 0.121 0.000 2.404 264 I HA 0.386 4.596 4.170 0.066 0.000 0.293 264 I C 0.610 176.896 176.117 0.282 0.000 0.992 264 I CA -0.760 60.615 61.300 0.125 0.000 1.149 264 I CB 1.686 39.716 38.000 0.051 0.000 1.315 264 I HN 0.218 nan 8.210 nan 0.000 0.446 265 M N 6.339 126.070 119.600 0.217 0.000 2.055 265 M HA 0.555 5.075 4.480 0.066 0.000 0.346 265 M C -0.462 175.939 176.300 0.169 0.000 1.074 265 M CA -0.523 54.904 55.300 0.210 0.000 1.009 265 M CB 0.902 33.439 32.600 -0.106 0.000 1.423 265 M HN 0.711 nan 8.290 nan 0.000 0.410 266 A N 4.427 127.358 122.820 0.185 0.000 2.409 266 A HA 0.256 4.616 4.320 0.066 0.000 0.267 266 A C -0.820 176.841 177.584 0.129 0.000 1.127 266 A CA -0.207 51.904 52.037 0.124 0.000 0.795 266 A CB 0.081 19.121 19.000 0.068 0.000 1.061 266 A HN 0.885 nan 8.150 nan 0.000 0.502 267 H N 4.715 123.801 119.070 0.027 0.000 2.472 267 H HA 0.376 4.971 4.556 0.066 0.000 0.338 267 H C -2.115 173.305 175.328 0.154 0.000 1.133 267 H CA -1.861 54.225 56.048 0.062 0.000 1.216 267 H CB 2.347 32.123 29.762 0.023 0.000 1.497 267 H HN 0.436 nan 8.280 nan 0.000 0.500 268 P HA 0.061 nan 4.420 nan 0.000 0.253 268 P C 0.009 177.459 177.300 0.251 0.000 1.281 268 P CA -0.060 63.144 63.100 0.173 0.000 0.792 268 P CB -0.178 31.517 31.700 -0.009 0.000 1.193 269 A N 0.444 123.553 122.820 0.483 0.000 2.565 269 A HA 0.165 4.524 4.320 0.066 0.000 0.237 269 A C 1.484 179.225 177.584 0.262 0.000 1.053 269 A CA 0.578 52.837 52.037 0.369 0.000 0.755 269 A CB -0.443 18.747 19.000 0.316 0.000 0.980 269 A HN 0.103 nan 8.150 nan 0.000 0.506 270 V N 0.881 120.913 119.914 0.198 0.000 0.742 270 V HA -0.367 3.793 4.120 0.066 0.000 0.052 270 V C 2.294 178.526 176.094 0.230 0.000 2.606 270 V CA 2.887 65.314 62.300 0.213 0.000 3.582 270 V CB -2.545 29.426 31.823 0.246 0.000 1.239 270 V HN 1.711 nan 8.190 nan 0.000 1.110 271 S N 0.982 116.688 115.700 0.011 0.000 2.419 271 S HA -0.055 4.454 4.470 0.066 0.000 0.233 271 S C 1.938 176.528 174.600 -0.017 0.000 1.016 271 S CA 1.999 59.981 58.200 -0.362 0.000 0.974 271 S CB -0.516 62.135 63.200 -0.915 0.000 0.786 271 S HN 1.369 nan 8.310 nan 0.000 0.492 272 G N 1.505 110.345 108.800 0.068 0.000 2.475 272 G HA2 -0.021 3.978 3.960 0.066 0.000 0.220 272 G HA3 -0.021 3.978 3.960 0.066 0.000 0.220 272 G C 1.594 176.566 174.900 0.120 0.000 1.125 272 G CA 0.762 45.923 45.100 0.101 0.000 0.755 272 G HN 0.843 nan 8.290 nan 0.000 0.565 273 A N -0.245 122.679 122.820 0.173 0.000 2.121 273 A HA 0.279 4.639 4.320 0.066 0.000 0.218 273 A C 1.976 179.567 177.584 0.013 0.000 1.154 273 A CA 0.890 52.969 52.037 0.069 0.000 0.679 273 A CB -0.337 18.665 19.000 0.002 0.000 0.795 273 A HN 0.403 nan 8.150 nan 0.000 0.458 274 F N -0.881 119.035 119.950 -0.057 0.000 2.622 274 F HA 0.038 4.608 4.527 0.072 0.000 0.288 274 F C 2.522 178.320 175.800 -0.003 0.000 1.120 274 F CA 1.088 59.087 58.000 -0.001 0.000 1.423 274 F CB 0.325 39.234 39.000 -0.151 0.000 1.127 274 F HN 0.293 nan 8.300 nan 0.000 0.588 275 T N -5.018 109.559 114.554 0.038 0.000 2.955 275 T HA 0.091 4.481 4.350 0.066 0.000 0.251 275 T C 1.809 176.363 174.700 -0.243 0.000 1.002 275 T CA 0.515 62.457 62.100 -0.263 0.000 0.970 275 T CB -0.209 68.167 68.868 -0.819 0.000 1.091 275 T HN -0.061 nan 8.240 nan 0.000 0.495 276 S N 2.152 117.842 115.700 -0.016 0.000 2.374 276 S HA -0.020 4.489 4.470 0.066 0.000 0.227 276 S C 1.274 175.902 174.600 0.046 0.000 1.037 276 S CA 0.974 59.231 58.200 0.095 0.000 1.024 276 S CB -0.496 62.760 63.200 0.093 0.000 0.861 276 S HN 0.667 nan 8.310 nan 0.000 0.456 277 S N 2.608 118.332 115.700 0.040 0.000 2.516 277 S HA 0.106 4.616 4.470 0.066 0.000 0.282 277 S C -1.429 173.131 174.600 -0.067 0.000 1.286 277 S CA -1.399 56.819 58.200 0.029 0.000 1.066 277 S CB 0.902 64.221 63.200 0.199 0.000 0.884 277 S HN 0.161 nan 8.310 nan 0.000 0.491 278 P HA 0.077 nan 4.420 nan 0.000 0.245 278 P C 0.394 177.462 177.300 -0.387 0.000 1.212 278 P CA 0.733 63.586 63.100 -0.412 0.000 0.774 278 P CB -0.084 31.234 31.700 -0.637 0.000 0.999 279 F N -2.542 117.389 119.950 -0.030 0.000 2.740 279 F HA 0.239 4.806 4.527 0.066 0.000 0.304 279 F C 0.834 176.384 175.800 -0.417 0.000 1.098 279 F CA -0.532 57.310 58.000 -0.264 0.000 1.258 279 F CB 0.289 39.026 39.000 -0.439 0.000 1.061 279 F HN -0.234 nan 8.300 nan 0.000 0.598 280 Y N -0.185 120.235 120.300 0.200 0.000 2.662 280 Y HA 0.687 5.276 4.550 0.065 0.000 0.335 280 Y C 0.862 176.859 175.900 0.162 0.000 1.066 280 Y CA -0.998 57.205 58.100 0.172 0.000 1.116 280 Y CB 0.592 39.126 38.460 0.124 0.000 1.308 280 Y HN 0.086 nan 8.280 nan 0.000 0.502 281 G N 0.335 109.394 108.800 0.432 0.000 2.512 281 G HA2 -0.237 3.763 3.960 0.066 0.000 0.254 281 G HA3 -0.237 3.763 3.960 0.066 0.000 0.254 281 G C -1.139 173.886 174.900 0.208 0.000 1.199 281 G CA -0.357 45.000 45.100 0.428 0.000 0.941 281 G HN 0.441 nan 8.290 nan 0.000 0.569 282 F N 1.343 121.349 119.950 0.094 0.000 2.523 282 F HA 0.694 5.261 4.527 0.066 0.000 0.329 282 F C 1.152 176.859 175.800 -0.156 0.000 1.061 282 F CA -0.162 57.794 58.000 -0.074 0.000 0.967 282 F CB 1.892 40.852 39.000 -0.066 0.000 1.218 282 F HN 0.796 nan 8.300 nan 0.000 0.480 283 S N -0.943 114.769 115.700 0.020 0.000 2.592 283 S HA 0.176 4.685 4.470 0.066 0.000 0.271 283 S C 0.604 175.141 174.600 -0.104 0.000 1.326 283 S CA -0.346 57.819 58.200 -0.058 0.000 1.024 283 S CB 0.534 63.706 63.200 -0.048 0.000 0.921 283 S HN 0.696 nan 8.310 nan 0.000 0.527 284 H N 1.771 120.806 119.070 -0.058 0.000 2.353 284 H HA 0.007 4.601 4.556 0.063 0.000 0.300 284 H C 2.390 177.630 175.328 -0.146 0.000 1.090 284 H CA 2.092 58.071 56.048 -0.115 0.000 1.327 284 H CB -0.506 29.175 29.762 -0.134 0.000 1.383 284 H HN 0.812 nan 8.280 nan 0.000 0.508 285 A N 0.914 123.725 122.820 -0.016 0.000 1.940 285 A HA -0.146 4.214 4.320 0.066 0.000 0.219 285 A C 2.325 179.844 177.584 -0.109 0.000 1.176 285 A CA 1.294 53.281 52.037 -0.084 0.000 0.631 285 A CB -0.671 18.285 19.000 -0.073 0.000 0.814 285 A HN 0.418 nan 8.150 nan 0.000 0.446 286 L N -0.901 120.264 121.223 -0.095 0.000 2.044 286 L HA -0.067 4.313 4.340 0.066 0.000 0.205 286 L C 2.486 179.291 176.870 -0.109 0.000 1.075 286 L CA 1.464 56.237 54.840 -0.111 0.000 0.747 286 L CB -0.386 41.639 42.059 -0.057 0.000 0.903 286 L HN 0.444 nan 8.230 nan 0.000 0.435 287 L N -0.724 120.435 121.223 -0.106 0.000 1.993 287 L HA -0.222 4.158 4.340 0.066 0.000 0.206 287 L C 2.432 179.274 176.870 -0.047 0.000 1.074 287 L CA 1.076 55.815 54.840 -0.169 0.000 0.746 287 L CB -0.237 41.577 42.059 -0.407 0.000 0.896 287 L HN 0.272 nan 8.230 nan 0.000 0.435 288 L N -0.546 120.641 121.223 -0.059 0.000 2.376 288 L HA -0.002 4.378 4.340 0.066 0.000 0.219 288 L C 2.050 178.926 176.870 0.009 0.000 1.133 288 L CA 1.408 56.276 54.840 0.048 0.000 0.816 288 L CB -1.370 40.703 42.059 0.024 0.000 0.933 288 L HN 0.228 nan 8.230 nan 0.000 0.449 289 G N -1.235 107.521 108.800 -0.073 0.000 2.651 289 G HA2 -0.053 3.946 3.960 0.066 0.000 0.226 289 G HA3 -0.053 3.946 3.960 0.066 0.000 0.226 289 G C 1.482 176.284 174.900 -0.164 0.000 1.542 289 G CA 0.363 45.401 45.100 -0.104 0.000 0.868 289 G HN 0.191 nan 8.290 nan 0.000 0.588 290 K N -0.000 120.240 120.400 -0.266 0.000 1.991 290 K HA 0.010 4.370 4.320 0.066 0.000 0.212 290 K C 2.574 178.799 176.600 -0.625 0.000 1.049 290 K CA 1.350 57.319 56.287 -0.530 0.000 0.932 290 K CB -0.420 31.705 32.500 -0.626 0.000 0.717 290 K HN 0.271 nan 8.250 nan 0.000 0.441 291 L N 0.930 121.920 121.223 -0.390 0.000 2.046 291 L HA -0.199 4.181 4.340 0.066 0.000 0.208 291 L C 2.378 179.162 176.870 -0.143 0.000 1.077 291 L CA 1.014 55.701 54.840 -0.255 0.000 0.747 291 L CB -0.653 41.341 42.059 -0.109 0.000 0.896 291 L HN 0.315 nan 8.230 nan 0.000 0.432 292 N N 0.193 118.842 118.700 -0.084 0.000 2.069 292 N HA -0.206 4.573 4.740 0.066 0.000 0.191 292 N C 1.897 177.378 175.510 -0.048 0.000 1.031 292 N CA 1.276 54.305 53.050 -0.035 0.000 0.852 292 N CB -0.224 38.282 38.487 0.032 0.000 1.018 292 N HN 0.222 nan 8.380 nan 0.000 0.423 293 R N -0.468 119.985 120.500 -0.079 0.000 2.082 293 R HA -0.154 4.225 4.340 0.066 0.000 0.234 293 R C 1.829 178.062 176.300 -0.112 0.000 1.136 293 R CA 1.378 57.438 56.100 -0.067 0.000 0.935 293 R CB -0.420 29.840 30.300 -0.067 0.000 0.842 293 R HN 0.207 nan 8.270 nan 0.000 0.430 294 Y N 0.135 120.084 120.300 -0.584 0.000 2.207 294 Y HA -0.226 4.338 4.550 0.023 0.000 0.287 294 Y C 2.271 177.969 175.900 -0.337 0.000 1.156 294 Y CA 0.608 58.191 58.100 -0.862 0.000 1.182 294 Y CB -0.647 37.238 38.460 -0.958 0.000 0.979 294 Y HN 0.223 nan 8.280 nan 0.000 0.521 295 C N -0.737 118.540 119.300 -0.038 0.000 2.613 295 C HA 0.472 4.971 4.460 0.066 0.000 0.273 295 C C 1.891 176.891 174.990 0.016 0.000 1.304 295 C CA 0.727 59.751 59.018 0.010 0.000 1.702 295 C CB -0.944 26.801 27.740 0.008 0.000 1.792 295 C HN 0.810 nan 8.230 nan 0.000 0.588 296 G N 0.089 108.898 108.800 0.016 0.000 2.184 296 G HA2 0.005 4.004 3.960 0.066 0.000 0.206 296 G HA3 0.005 4.004 3.960 0.066 0.000 0.206 296 G C 0.103 175.028 174.900 0.043 0.000 0.995 296 G CA -0.024 45.096 45.100 0.034 0.000 0.651 296 G HN 0.815 nan 8.290 nan 0.000 0.511 297 A N 0.612 123.454 122.820 0.038 0.000 2.451 297 A HA 0.555 4.914 4.320 0.066 0.000 0.266 297 A C 1.067 178.685 177.584 0.057 0.000 1.119 297 A CA 0.658 52.738 52.037 0.071 0.000 0.786 297 A CB 0.223 19.268 19.000 0.075 0.000 1.061 297 A HN 0.249 nan 8.150 nan 0.000 0.503 298 D N 1.314 121.746 120.400 0.054 0.000 2.289 298 D HA 0.095 4.775 4.640 0.066 0.000 0.207 298 D C -0.580 175.531 176.300 -0.315 0.000 0.966 298 D CA 1.360 55.273 54.000 -0.145 0.000 0.868 298 D CB 0.167 40.829 40.800 -0.231 0.000 0.943 298 D HN 0.559 nan 8.370 nan 0.000 0.514 299 F N -0.405 119.613 119.950 0.113 0.000 2.588 299 F HA 0.314 4.906 4.527 0.109 0.000 0.310 299 F C -0.058 175.797 175.800 0.093 0.000 1.082 299 F CA -1.035 57.038 58.000 0.122 0.000 0.929 299 F CB 2.257 41.289 39.000 0.053 0.000 1.254 299 F HN -0.441 nan 8.300 nan 0.000 0.455 300 S N 2.906 118.787 115.700 0.302 0.000 2.779 300 S HA 0.702 5.212 4.470 0.066 0.000 0.293 300 S C -1.390 173.337 174.600 0.211 0.000 1.150 300 S CA -0.444 57.896 58.200 0.234 0.000 1.057 300 S CB 0.254 63.587 63.200 0.222 0.000 1.021 300 S HN 0.479 nan 8.310 nan 0.000 0.485 301 L N 5.895 127.173 121.223 0.091 0.000 2.350 301 L HA 0.770 5.150 4.340 0.066 0.000 0.275 301 L C -0.232 176.639 176.870 0.002 0.000 1.099 301 L CA -0.009 54.776 54.840 -0.092 0.000 0.808 301 L CB 0.521 42.475 42.059 -0.175 0.000 1.149 301 L HN 0.697 nan 8.230 nan 0.000 0.442 302 F N 0.470 120.361 119.950 -0.099 0.000 2.703 302 F HA 0.659 5.219 4.527 0.055 0.000 0.308 302 F C -3.003 172.743 175.800 -0.091 0.000 1.126 302 F CA -2.779 55.163 58.000 -0.096 0.000 0.959 302 F CB 0.646 39.603 39.000 -0.071 0.000 1.297 302 F HN 0.191 nan 8.300 nan 0.000 0.441 303 P HA 0.151 nan 4.420 nan 0.000 0.264 303 P C -0.191 177.186 177.300 0.128 0.000 1.193 303 P CA 0.110 63.233 63.100 0.039 0.000 0.763 303 P CB 0.917 32.630 31.700 0.023 0.000 0.810 304 S N 4.967 120.686 115.700 0.031 0.000 2.617 304 S HA 0.264 4.774 4.470 0.066 0.000 0.259 304 S C -1.632 172.970 174.600 0.003 0.000 1.301 304 S CA -0.840 57.432 58.200 0.119 0.000 0.984 304 S CB -0.073 63.217 63.200 0.149 0.000 0.954 304 S HN 0.361 nan 8.310 nan 0.000 0.572 305 P HA 0.207 nan 4.420 nan 0.000 0.261 305 P C -0.354 176.547 177.300 -0.664 0.000 1.352 305 P CA 0.294 63.112 63.100 -0.470 0.000 0.891 305 P CB -0.402 30.936 31.700 -0.603 0.000 1.383 306 Y N -1.136 119.186 120.300 0.036 0.000 2.426 306 Y HA 0.392 4.980 4.550 0.064 0.000 0.249 306 Y C 1.790 177.701 175.900 0.019 0.000 1.103 306 Y CA -0.399 57.715 58.100 0.025 0.000 1.256 306 Y CB 0.117 38.593 38.460 0.026 0.000 1.208 306 Y HN -0.073 nan 8.280 nan 0.000 0.519 307 G N 0.088 108.945 108.800 0.095 0.000 2.535 307 G HA2 0.263 4.262 3.960 0.066 0.000 0.303 307 G HA3 0.263 4.262 3.960 0.066 0.000 0.303 307 G C 0.998 175.920 174.900 0.037 0.000 1.237 307 G CA 0.095 45.222 45.100 0.045 0.000 0.986 307 G HN 0.196 nan 8.290 nan 0.000 0.494 308 S N -1.614 114.107 115.700 0.035 0.000 2.383 308 S HA -0.111 4.399 4.470 0.066 0.000 0.229 308 S C 0.922 175.537 174.600 0.024 0.000 1.030 308 S CA 0.953 59.178 58.200 0.042 0.000 1.002 308 S CB -0.235 62.997 63.200 0.054 0.000 0.829 308 S HN 0.311 nan 8.310 nan 0.000 0.467 309 V N 2.280 122.200 119.914 0.011 0.000 2.318 309 V HA 0.789 4.949 4.120 0.066 0.000 0.271 309 V C 0.286 176.375 176.094 -0.007 0.000 1.030 309 V CA -0.095 62.209 62.300 0.007 0.000 0.844 309 V CB 0.162 31.991 31.823 0.010 0.000 1.015 309 V HN 0.698 nan 8.190 nan 0.000 0.460 310 A N 5.405 128.214 122.820 -0.018 0.000 2.485 310 A HA 0.981 5.341 4.320 0.066 0.000 0.292 310 A C -1.549 175.992 177.584 -0.072 0.000 1.147 310 A CA -0.679 51.332 52.037 -0.044 0.000 0.750 310 A CB 1.693 20.653 19.000 -0.067 0.000 1.331 310 A HN 0.563 nan 8.150 nan 0.000 0.419 311 L N 0.594 121.757 121.223 -0.099 0.000 2.342 311 L HA 0.613 4.992 4.340 0.066 0.000 0.271 311 L C -2.399 174.377 176.870 -0.157 0.000 1.008 311 L CA -1.895 52.841 54.840 -0.174 0.000 0.818 311 L CB 1.531 43.475 42.059 -0.191 0.000 1.296 311 L HN 0.387 nan 8.230 nan 0.000 0.427 312 P HA 0.144 nan 4.420 nan 0.000 0.266 312 P C 0.351 177.578 177.300 -0.123 0.000 1.195 312 P CA -0.054 62.976 63.100 -0.116 0.000 0.768 312 P CB 0.555 32.207 31.700 -0.081 0.000 0.838 313 R N 3.720 124.140 120.500 -0.133 0.000 2.113 313 R HA -0.262 4.118 4.340 0.066 0.000 0.244 313 R C 1.917 178.174 176.300 -0.070 0.000 1.142 313 R CA 2.306 58.328 56.100 -0.129 0.000 0.953 313 R CB -0.937 29.286 30.300 -0.129 0.000 0.860 313 R HN 0.560 nan 8.270 nan 0.000 0.438 314 A N 0.793 123.580 122.820 -0.055 0.000 1.948 314 A HA -0.213 4.147 4.320 0.066 0.000 0.220 314 A C 1.676 179.239 177.584 -0.035 0.000 1.177 314 A CA 2.018 54.035 52.037 -0.032 0.000 0.636 314 A CB -0.521 18.465 19.000 -0.023 0.000 0.815 314 A HN 0.451 nan 8.150 nan 0.000 0.449 315 D N -0.318 120.044 120.400 -0.063 0.000 2.183 315 D HA 0.046 4.725 4.640 0.066 0.000 0.203 315 D C 2.180 178.385 176.300 -0.159 0.000 0.969 315 D CA 1.237 55.182 54.000 -0.091 0.000 0.842 315 D CB -0.239 40.488 40.800 -0.122 0.000 0.957 315 D HN 0.453 nan 8.370 nan 0.000 0.484 316 A N 0.764 123.515 122.820 -0.116 0.000 1.929 316 A HA -0.050 4.309 4.320 0.066 0.000 0.216 316 A C 2.354 180.008 177.584 0.116 0.000 1.176 316 A CA 0.593 52.583 52.037 -0.079 0.000 0.628 316 A CB -0.571 18.578 19.000 0.248 0.000 0.816 316 A HN 0.155 nan 8.150 nan 0.000 0.444 317 L N -0.807 120.501 121.223 0.141 0.000 2.056 317 L HA -0.155 4.224 4.340 0.066 0.000 0.207 317 L C 3.074 180.033 176.870 0.148 0.000 1.078 317 L CA 1.005 55.970 54.840 0.208 0.000 0.749 317 L CB -0.580 41.527 42.059 0.079 0.000 0.901 317 L HN 0.429 nan 8.230 nan 0.000 0.433 318 A N 0.400 123.239 122.820 0.032 0.000 1.933 318 A HA -0.160 4.199 4.320 0.066 0.000 0.218 318 A C 2.210 179.762 177.584 -0.054 0.000 1.175 318 A CA 1.397 53.431 52.037 -0.005 0.000 0.628 318 A CB -0.590 18.393 19.000 -0.028 0.000 0.814 318 A HN 0.346 nan 8.150 nan 0.000 0.444 319 I N -1.425 119.050 120.570 -0.158 0.000 2.252 319 I HA -0.257 3.952 4.170 0.066 0.000 0.245 319 I C 2.514 178.554 176.117 -0.129 0.000 1.102 319 I CA 1.835 62.977 61.300 -0.263 0.000 1.385 319 I CB -0.495 37.084 38.000 -0.702 0.000 1.064 319 I HN 0.560 nan 8.210 nan 0.000 0.414 320 H N 0.940 119.945 119.070 -0.109 0.000 2.353 320 H HA -0.202 4.408 4.556 0.089 0.000 0.300 320 H C 2.177 177.545 175.328 0.066 0.000 1.090 320 H CA 1.991 58.066 56.048 0.045 0.000 1.327 320 H CB 0.029 29.936 29.762 0.242 0.000 1.383 320 H HN 0.282 nan 8.280 nan 0.000 0.508 321 E N -0.180 120.048 120.200 0.046 0.000 2.110 321 E HA -0.175 4.214 4.350 0.066 0.000 0.193 321 E C 1.733 178.297 176.600 -0.060 0.000 0.988 321 E CA 1.100 57.498 56.400 -0.004 0.000 0.804 321 E CB 0.165 29.899 29.700 0.057 0.000 0.745 321 E HN 0.561 nan 8.360 nan 0.000 0.458 322 E N 0.002 120.161 120.200 -0.068 0.000 2.150 322 E HA -0.148 4.241 4.350 0.066 0.000 0.193 322 E C 2.192 178.742 176.600 -0.084 0.000 0.985 322 E CA 0.652 57.004 56.400 -0.081 0.000 0.814 322 E CB -0.359 29.269 29.700 -0.120 0.000 0.752 322 E HN 0.383 nan 8.360 nan 0.000 0.466 323 C N 0.283 119.517 119.300 -0.110 0.000 2.457 323 C HA -0.058 4.442 4.460 0.066 0.000 0.278 323 C C 2.663 177.578 174.990 -0.124 0.000 1.309 323 C CA 1.004 59.961 59.018 -0.102 0.000 1.735 323 C CB -0.685 27.004 27.740 -0.085 0.000 1.992 323 C HN 0.369 nan 8.230 nan 0.000 0.493 324 V N -1.592 118.205 119.914 -0.194 0.000 3.643 324 V HA 0.234 4.393 4.120 0.066 0.000 0.280 324 V C 1.003 177.062 176.094 -0.058 0.000 1.351 324 V CA 0.029 62.239 62.300 -0.151 0.000 1.073 324 V CB -0.667 31.017 31.823 -0.231 0.000 0.863 324 V HN 0.398 nan 8.190 nan 0.000 0.436 325 R N 2.272 122.753 120.500 -0.032 0.000 2.640 325 R HA 0.057 4.436 4.340 0.066 0.000 0.270 325 R C -0.041 176.285 176.300 0.043 0.000 1.024 325 R CA 0.169 56.281 56.100 0.019 0.000 1.085 325 R CB 0.328 30.652 30.300 0.041 0.000 0.963 325 R HN 0.642 nan 8.270 nan 0.000 0.426 326 E N 2.524 122.752 120.200 0.046 0.000 2.415 326 E HA -0.031 4.358 4.350 0.066 0.000 0.263 326 E C -0.414 176.234 176.600 0.079 0.000 0.995 326 E CA 0.385 56.813 56.400 0.047 0.000 0.915 326 E CB 0.646 30.366 29.700 0.034 0.000 0.951 326 E HN 0.443 nan 8.360 nan 0.000 0.449 327 D N 0.004 120.456 120.400 0.088 0.000 2.692 327 D HA 0.188 4.868 4.640 0.066 0.000 0.290 327 D C -1.104 175.228 176.300 0.052 0.000 1.281 327 D CA -0.588 53.493 54.000 0.136 0.000 0.804 327 D CB 1.118 42.085 40.800 0.278 0.000 1.331 327 D HN 0.275 nan 8.370 nan 0.000 0.432 328 A N 0.920 123.701 122.820 -0.065 0.000 2.233 328 A HA 0.384 4.743 4.320 0.066 0.000 0.230 328 A C -0.550 176.585 177.584 -0.749 0.000 1.347 328 A CA 0.484 52.287 52.037 -0.391 0.000 1.087 328 A CB -1.178 17.514 19.000 -0.513 0.000 0.871 328 A HN 0.235 nan 8.150 nan 0.000 0.519 329 F N -1.564 118.294 119.950 -0.152 0.000 2.631 329 F HA 0.327 4.833 4.527 -0.035 0.000 0.308 329 F C -0.018 175.729 175.800 -0.088 0.000 1.097 329 F CA -1.390 56.523 58.000 -0.145 0.000 0.952 329 F CB 0.956 39.841 39.000 -0.192 0.000 1.307 329 F HN -0.075 nan 8.300 nan 0.000 0.450 330 N N 1.218 119.985 118.700 0.113 0.000 2.374 330 N HA 0.064 4.844 4.740 0.066 0.000 0.241 330 N C -0.297 175.242 175.510 0.049 0.000 1.262 330 N CA -0.086 52.992 53.050 0.047 0.000 0.880 330 N CB 0.409 38.916 38.487 0.034 0.000 1.105 330 N HN 0.553 nan 8.380 nan 0.000 0.438 331 Q N 0.139 119.937 119.800 -0.004 0.000 2.394 331 Q HA 0.265 4.644 4.340 0.066 0.000 0.248 331 Q C -0.196 175.749 176.000 -0.091 0.000 0.992 331 Q CA 0.366 56.141 55.803 -0.047 0.000 0.888 331 Q CB 0.620 29.302 28.738 -0.092 0.000 1.257 331 Q HN 0.401 nan 8.270 nan 0.000 0.462 332 T N 1.801 116.305 114.554 -0.084 0.000 2.867 332 T HA 0.399 4.789 4.350 0.066 0.000 0.282 332 T C -0.648 174.019 174.700 -0.056 0.000 1.000 332 T CA -0.420 61.641 62.100 -0.064 0.000 1.042 332 T CB 0.281 69.147 68.868 -0.004 0.000 0.973 332 T HN 0.344 nan 8.240 nan 0.000 0.465 333 F N 2.674 122.573 119.950 -0.086 0.000 2.444 333 F HA 0.454 5.041 4.527 0.100 0.000 0.360 333 F C 0.945 176.808 175.800 0.105 0.000 1.106 333 F CA -0.904 57.092 58.000 -0.007 0.000 1.170 333 F CB 0.404 39.359 39.000 -0.074 0.000 1.113 333 F HN 0.584 nan 8.300 nan 0.000 0.521 334 A N 4.494 127.562 122.820 0.413 0.000 2.401 334 A HA 0.549 4.908 4.320 0.066 0.000 0.259 334 A C -0.653 177.037 177.584 0.175 0.000 1.103 334 A CA -0.426 51.822 52.037 0.351 0.000 0.789 334 A CB 0.565 19.817 19.000 0.419 0.000 1.035 334 A HN 0.552 nan 8.150 nan 0.000 0.491 335 V N 5.335 125.194 119.914 -0.092 0.000 2.380 335 V HA 0.256 4.415 4.120 0.066 0.000 0.268 335 V C -2.430 173.172 176.094 -0.821 0.000 1.008 335 V CA -1.302 60.806 62.300 -0.321 0.000 0.823 335 V CB 1.123 32.852 31.823 -0.156 0.000 1.053 335 V HN 0.839 nan 8.190 nan 0.000 0.446 336 P HA 0.214 nan 4.420 nan 0.000 0.268 336 P C 0.209 177.245 177.300 -0.441 0.000 1.204 336 P CA 0.332 62.874 63.100 -0.929 0.000 0.768 336 P CB 1.637 33.133 31.700 -0.340 0.000 0.842 337 S N 1.021 116.514 115.700 -0.345 0.000 2.784 337 S HA 0.175 4.684 4.470 0.066 0.000 0.266 337 S C 0.844 175.356 174.600 -0.146 0.000 1.079 337 S CA -0.008 58.060 58.200 -0.219 0.000 0.989 337 S CB -0.110 62.961 63.200 -0.216 0.000 0.926 337 S HN 0.647 nan 8.310 nan 0.000 0.497 338 A N 2.169 124.924 122.820 -0.108 0.000 2.513 338 A HA 0.482 4.841 4.320 0.066 0.000 0.274 338 A C 1.289 178.808 177.584 -0.108 0.000 1.115 338 A CA 0.566 52.557 52.037 -0.077 0.000 0.792 338 A CB -1.410 17.567 19.000 -0.039 0.000 1.053 338 A HN 1.285 nan 8.150 nan 0.000 0.515 339 G N 2.735 111.441 108.800 -0.156 0.000 2.372 339 G HA2 -0.218 3.782 3.960 0.066 0.000 0.290 339 G HA3 -0.218 3.782 3.960 0.066 0.000 0.290 339 G C -0.060 174.558 174.900 -0.470 0.000 0.965 339 G CA 0.493 45.420 45.100 -0.288 0.000 1.263 339 G HN 0.828 nan 8.290 nan 0.000 0.498 340 I N 1.657 121.967 120.570 -0.433 0.000 2.396 340 I HA 0.395 4.605 4.170 0.066 0.000 0.292 340 I C 0.459 176.305 176.117 -0.452 0.000 0.999 340 I CA -0.777 60.334 61.300 -0.315 0.000 1.310 340 I CB 1.016 38.971 38.000 -0.075 0.000 1.404 340 I HN 0.233 nan 8.210 nan 0.000 0.496 341 H N 5.570 124.676 119.070 0.061 0.000 2.679 341 H HA 0.269 4.865 4.556 0.067 0.000 0.367 341 H C -1.940 173.297 175.328 -0.151 0.000 1.162 341 H CA -2.100 53.932 56.048 -0.027 0.000 1.181 341 H CB 1.659 31.264 29.762 -0.262 0.000 1.693 341 H HN 0.258 nan 8.280 nan 0.000 0.538 342 P HA -0.185 nan 4.420 nan 0.000 0.218 342 P C 1.503 178.661 177.300 -0.235 0.000 1.154 342 P CA 2.105 64.770 63.100 -0.724 0.000 0.872 342 P CB -0.051 31.230 31.700 -0.699 0.000 0.790 343 G N -1.542 107.204 108.800 -0.089 0.000 2.527 343 G HA2 -0.227 3.773 3.960 0.066 0.000 0.219 343 G HA3 -0.227 3.773 3.960 0.066 0.000 0.219 343 G C 1.256 176.120 174.900 -0.060 0.000 1.117 343 G CA 0.615 45.688 45.100 -0.045 0.000 0.759 343 G HN 0.278 nan 8.290 nan 0.000 0.556 344 M N -0.114 119.457 119.600 -0.048 0.000 2.476 344 M HA 0.103 4.622 4.480 0.066 0.000 0.262 344 M C 2.419 178.663 176.300 -0.094 0.000 1.111 344 M CA 0.067 55.306 55.300 -0.102 0.000 1.127 344 M CB 0.290 32.884 32.600 -0.011 0.000 1.376 344 M HN 0.045 nan 8.290 nan 0.000 0.465 345 V N 1.297 121.202 119.914 -0.014 0.000 2.317 345 V HA -0.213 3.946 4.120 0.066 0.000 0.251 345 V C -0.618 175.480 176.094 0.006 0.000 1.065 345 V CA 2.098 64.427 62.300 0.048 0.000 1.049 345 V CB -1.983 29.875 31.823 0.059 0.000 0.651 345 V HN 0.293 nan 8.190 nan 0.000 0.450 346 P HA -0.123 nan 4.420 nan 0.000 0.218 346 P C 1.855 179.093 177.300 -0.104 0.000 1.148 346 P CA 1.372 64.438 63.100 -0.056 0.000 0.822 346 P CB -0.039 31.620 31.700 -0.068 0.000 0.784 347 L N -1.810 119.286 121.223 -0.212 0.000 2.131 347 L HA -0.083 4.296 4.340 0.066 0.000 0.206 347 L C 2.380 179.109 176.870 -0.235 0.000 1.087 347 L CA 1.033 55.673 54.840 -0.333 0.000 0.767 347 L CB -0.885 40.676 42.059 -0.830 0.000 0.917 347 L HN -0.041 nan 8.230 nan 0.000 0.441 348 L N -0.766 120.383 121.223 -0.124 0.000 2.083 348 L HA -0.213 4.166 4.340 0.066 0.000 0.209 348 L C 2.587 179.406 176.870 -0.085 0.000 1.083 348 L CA 1.366 56.209 54.840 0.005 0.000 0.752 348 L CB -0.376 41.839 42.059 0.260 0.000 0.899 348 L HN 0.316 nan 8.230 nan 0.000 0.433 349 M N -1.055 118.580 119.600 0.058 0.000 2.319 349 M HA -0.133 4.386 4.480 0.066 0.000 0.265 349 M C 2.398 178.697 176.300 -0.003 0.000 1.068 349 M CA 1.195 56.575 55.300 0.134 0.000 1.118 349 M CB -0.270 32.430 32.600 0.167 0.000 1.395 349 M HN 0.181 nan 8.290 nan 0.000 0.435 350 R N 0.628 121.079 120.500 -0.082 0.000 2.075 350 R HA -0.126 4.253 4.340 0.066 0.000 0.226 350 R C 1.198 177.390 176.300 -0.179 0.000 1.114 350 R CA 1.689 57.734 56.100 -0.093 0.000 0.972 350 R CB -0.032 30.214 30.300 -0.090 0.000 0.869 350 R HN 0.209 nan 8.270 nan 0.000 0.437 351 D N -0.070 120.120 120.400 -0.349 0.000 2.084 351 D HA -0.133 4.546 4.640 0.066 0.000 0.196 351 D C 1.284 177.138 176.300 -0.744 0.000 0.985 351 D CA 1.527 55.145 54.000 -0.637 0.000 0.826 351 D CB -0.112 40.046 40.800 -1.071 0.000 0.978 351 D HN 0.322 nan 8.370 nan 0.000 0.456 352 F N -0.499 119.234 119.950 -0.361 0.000 2.678 352 F HA 0.362 4.933 4.527 0.073 0.000 0.305 352 F C 1.669 177.325 175.800 -0.240 0.000 1.090 352 F CA -0.075 57.534 58.000 -0.651 0.000 1.272 352 F CB 0.417 38.798 39.000 -1.031 0.000 1.060 352 F HN 0.010 nan 8.300 nan 0.000 0.576 353 G N 2.346 111.195 108.800 0.082 0.000 2.601 353 G HA2 -0.383 3.617 3.960 0.066 0.000 0.252 353 G HA3 -0.383 3.617 3.960 0.066 0.000 0.252 353 G C 0.593 175.713 174.900 0.368 0.000 1.294 353 G CA 0.171 45.393 45.100 0.203 0.000 0.912 353 G HN 0.407 nan 8.290 nan 0.000 0.574 354 I N -2.526 118.227 120.570 0.305 0.000 2.852 354 I HA 0.334 4.544 4.170 0.066 0.000 0.264 354 I C 0.893 177.211 176.117 0.334 0.000 1.179 354 I CA 1.332 62.800 61.300 0.279 0.000 1.480 354 I CB 0.012 38.129 38.000 0.194 0.000 1.111 354 I HN 0.173 nan 8.210 nan 0.000 0.441 355 D N 3.579 124.219 120.400 0.400 0.000 2.671 355 D HA 0.149 4.828 4.640 0.066 0.000 0.228 355 D C -0.228 176.466 176.300 0.658 0.000 1.102 355 D CA 0.436 54.689 54.000 0.422 0.000 1.044 355 D CB -0.456 40.493 40.800 0.249 0.000 1.113 355 D HN 0.652 nan 8.370 nan 0.000 0.480 356 H N -1.185 118.194 119.070 0.515 0.000 2.932 356 H HA 0.423 5.015 4.556 0.060 0.000 0.307 356 H C -1.401 174.033 175.328 0.176 0.000 1.391 356 H CA -0.873 55.416 56.048 0.402 0.000 1.130 356 H CB 0.516 30.392 29.762 0.190 0.000 1.836 356 H HN -0.119 nan 8.280 nan 0.000 0.522 357 I N 2.149 122.692 120.570 -0.045 0.000 2.466 357 I HA 0.304 4.513 4.170 0.066 0.000 0.289 357 I C 0.040 176.077 176.117 -0.132 0.000 1.026 357 I CA -0.869 60.274 61.300 -0.262 0.000 1.078 357 I CB 2.102 39.904 38.000 -0.330 0.000 1.249 357 I HN 0.343 nan 8.210 nan 0.000 0.429 358 I N 5.371 125.848 120.570 -0.155 0.000 2.337 358 I HA 0.110 4.319 4.170 0.066 0.000 0.291 358 I C 0.220 176.210 176.117 -0.212 0.000 1.046 358 I CA -0.109 61.151 61.300 -0.067 0.000 1.324 358 I CB 0.445 38.457 38.000 0.020 0.000 1.409 358 I HN 0.520 nan 8.210 nan 0.000 0.494 359 N N 6.075 124.643 118.700 -0.221 0.000 2.558 359 N HA 0.279 5.058 4.740 0.066 0.000 0.233 359 N C 0.513 175.823 175.510 -0.333 0.000 1.038 359 N CA -0.290 52.597 53.050 -0.272 0.000 0.934 359 N CB 1.530 39.880 38.487 -0.229 0.000 1.175 359 N HN 0.688 nan 8.380 nan 0.000 0.512 360 A N 2.678 125.189 122.820 -0.515 0.000 2.235 360 A HA 0.338 4.697 4.320 0.066 0.000 0.208 360 A C 1.383 178.756 177.584 -0.352 0.000 1.172 360 A CA 0.561 52.191 52.037 -0.678 0.000 0.786 360 A CB -1.103 17.106 19.000 -1.319 0.000 0.804 360 A HN 0.938 nan 8.150 nan 0.000 0.479 361 G N -0.885 107.769 108.800 -0.242 0.000 2.581 361 G HA2 -0.131 3.868 3.960 0.066 0.000 0.291 361 G HA3 -0.131 3.868 3.960 0.066 0.000 0.291 361 G C 1.103 175.973 174.900 -0.051 0.000 1.277 361 G CA 0.151 45.176 45.100 -0.124 0.000 0.959 361 G HN 1.277 nan 8.290 nan 0.000 0.554 362 G N -0.031 108.784 108.800 0.026 0.000 2.939 362 G HA2 0.413 4.412 3.960 0.066 0.000 0.210 362 G HA3 0.413 4.412 3.960 0.066 0.000 0.210 362 G C 1.674 176.696 174.900 0.204 0.000 1.160 362 G CA 1.341 46.528 45.100 0.146 0.000 0.770 362 G HN 1.680 nan 8.290 nan 0.000 0.543 363 G N 0.731 109.606 108.800 0.125 0.000 2.485 363 G HA2 -0.211 3.789 3.960 0.066 0.000 0.221 363 G HA3 -0.211 3.789 3.960 0.066 0.000 0.221 363 G C 1.671 176.750 174.900 0.298 0.000 1.115 363 G CA 0.980 46.214 45.100 0.222 0.000 0.751 363 G HN 0.279 nan 8.290 nan 0.000 0.567 364 V N 0.449 120.472 119.914 0.182 0.000 2.546 364 V HA -0.236 3.923 4.120 0.066 0.000 0.254 364 V C 2.429 178.565 176.094 0.070 0.000 1.076 364 V CA 2.338 64.707 62.300 0.116 0.000 1.087 364 V CB -0.500 31.265 31.823 -0.097 0.000 0.674 364 V HN 0.601 nan 8.190 nan 0.000 0.470 365 H N -0.871 118.276 119.070 0.128 0.000 2.547 365 H HA 0.128 4.723 4.556 0.065 0.000 0.272 365 H C 2.040 177.462 175.328 0.157 0.000 0.989 365 H CA 0.991 57.107 56.048 0.114 0.000 1.214 365 H CB -0.107 29.702 29.762 0.078 0.000 1.389 365 H HN 0.472 nan 8.280 nan 0.000 0.577 366 G N -0.778 108.215 108.800 0.321 0.000 2.985 366 G HA2 -0.134 3.865 3.960 0.066 0.000 0.209 366 G HA3 -0.134 3.865 3.960 0.066 0.000 0.209 366 G C 0.355 175.397 174.900 0.236 0.000 1.165 366 G CA -0.235 45.028 45.100 0.271 0.000 0.776 366 G HN 0.381 nan 8.290 nan 0.000 0.541 367 H N 1.412 120.587 119.070 0.175 0.000 2.897 367 H HA 0.071 4.666 4.556 0.066 0.000 0.347 367 H C -1.360 174.003 175.328 0.059 0.000 1.068 367 H CA -1.086 55.036 56.048 0.124 0.000 1.426 367 H CB 1.756 31.593 29.762 0.125 0.000 1.410 367 H HN -0.063 nan 8.280 nan 0.000 0.597 368 P HA -0.157 nan 4.420 nan 0.000 0.217 368 P C 0.878 178.256 177.300 0.129 0.000 1.151 368 P CA 1.324 64.403 63.100 -0.035 0.000 0.849 368 P CB 0.313 31.917 31.700 -0.159 0.000 0.787 369 N N -0.824 118.104 118.700 0.379 0.000 2.322 369 N HA 0.159 4.939 4.740 0.066 0.000 0.216 369 N C 0.644 176.243 175.510 0.148 0.000 1.144 369 N CA 0.608 53.801 53.050 0.239 0.000 0.830 369 N CB -0.424 38.191 38.487 0.213 0.000 1.034 369 N HN 0.039 nan 8.380 nan 0.000 0.484 370 G N -0.132 108.773 108.800 0.175 0.000 2.796 370 G HA2 -0.235 3.765 3.960 0.066 0.000 0.226 370 G HA3 -0.235 3.765 3.960 0.066 0.000 0.226 370 G C 0.942 175.838 174.900 -0.006 0.000 1.381 370 G CA -0.173 44.981 45.100 0.089 0.000 0.867 370 G HN 0.374 nan 8.290 nan 0.000 0.552 371 A N -1.005 121.749 122.820 -0.111 0.000 1.986 371 A HA -0.133 4.226 4.320 0.066 0.000 0.220 371 A C 2.352 179.804 177.584 -0.220 0.000 1.171 371 A CA 2.605 54.459 52.037 -0.305 0.000 0.640 371 A CB -0.477 18.160 19.000 -0.606 0.000 0.811 371 A HN 0.850 nan 8.150 nan 0.000 0.451 372 Q N -1.201 118.506 119.800 -0.155 0.000 2.084 372 Q HA -0.148 4.231 4.340 0.066 0.000 0.202 372 Q C 2.185 178.071 176.000 -0.191 0.000 0.978 372 Q CA 1.373 57.092 55.803 -0.140 0.000 0.844 372 Q CB -0.368 28.317 28.738 -0.089 0.000 0.898 372 Q HN 0.704 nan 8.270 nan 0.000 0.426 373 G N -0.531 108.108 108.800 -0.269 0.000 2.403 373 G HA2 -0.145 3.854 3.960 0.066 0.000 0.216 373 G HA3 -0.145 3.854 3.960 0.066 0.000 0.216 373 G C 1.275 175.664 174.900 -0.852 0.000 1.154 373 G CA 0.650 45.417 45.100 -0.554 0.000 0.784 373 G HN 0.484 nan 8.290 nan 0.000 0.538 374 G N 1.025 109.466 108.800 -0.597 0.000 2.433 374 G HA2 0.025 4.024 3.960 0.066 0.000 0.216 374 G HA3 0.025 4.024 3.960 0.066 0.000 0.216 374 G C 1.802 176.719 174.900 0.029 0.000 1.186 374 G CA 1.409 46.415 45.100 -0.158 0.000 0.779 374 G HN 0.544 nan 8.290 nan 0.000 0.543 375 G N 0.498 109.255 108.800 -0.072 0.000 2.446 375 G HA2 -0.213 3.786 3.960 0.066 0.000 0.217 375 G HA3 -0.213 3.786 3.960 0.066 0.000 0.217 375 G C 1.964 176.858 174.900 -0.010 0.000 1.168 375 G CA 0.941 46.018 45.100 -0.039 0.000 0.771 375 G HN 0.449 nan 8.290 nan 0.000 0.551 376 R N 0.497 120.945 120.500 -0.086 0.000 2.096 376 R HA 0.024 4.404 4.340 0.066 0.000 0.235 376 R C 3.045 179.324 176.300 -0.035 0.000 1.127 376 R CA 1.076 57.131 56.100 -0.075 0.000 0.968 376 R CB -0.388 29.851 30.300 -0.102 0.000 0.861 376 R HN 0.359 nan 8.270 nan 0.000 0.440 377 A N 0.749 123.543 122.820 -0.042 0.000 1.883 377 A HA -0.191 4.169 4.320 0.066 0.000 0.217 377 A C 1.943 179.496 177.584 -0.051 0.000 1.186 377 A CA 1.390 53.411 52.037 -0.026 0.000 0.624 377 A CB -0.697 18.315 19.000 0.020 0.000 0.822 377 A HN 0.228 nan 8.150 nan 0.000 0.444 378 F N -0.353 119.581 119.950 -0.027 0.000 2.113 378 F HA -0.120 4.447 4.527 0.067 0.000 0.297 378 F C 2.663 178.440 175.800 -0.038 0.000 1.103 378 F CA 1.512 59.497 58.000 -0.025 0.000 1.248 378 F CB -0.136 38.839 39.000 -0.042 0.000 0.999 378 F HN 0.054 nan 8.300 nan 0.000 0.475 379 R N 0.303 120.875 120.500 0.120 0.000 2.096 379 R HA -0.110 4.269 4.340 0.066 0.000 0.235 379 R C 2.336 178.644 176.300 0.012 0.000 1.127 379 R CA 1.220 57.340 56.100 0.033 0.000 0.968 379 R CB -1.395 28.883 30.300 -0.036 0.000 0.861 379 R HN 0.323 nan 8.270 nan 0.000 0.440 380 A N 1.113 123.932 122.820 -0.002 0.000 1.877 380 A HA -0.136 4.224 4.320 0.066 0.000 0.216 380 A C 2.231 179.808 177.584 -0.012 0.000 1.186 380 A CA 1.357 53.386 52.037 -0.013 0.000 0.620 380 A CB -0.534 18.453 19.000 -0.021 0.000 0.822 380 A HN 0.328 nan 8.150 nan 0.000 0.443 381 I N -0.777 119.778 120.570 -0.025 0.000 2.439 381 I HA -0.143 4.066 4.170 0.066 0.000 0.251 381 I C 2.079 178.198 176.117 0.003 0.000 1.139 381 I CA 0.902 62.185 61.300 -0.028 0.000 1.438 381 I CB -0.068 37.886 38.000 -0.076 0.000 1.085 381 I HN 0.350 nan 8.210 nan 0.000 0.427 382 I N 0.898 121.485 120.570 0.029 0.000 2.179 382 I HA -0.319 3.890 4.170 0.066 0.000 0.242 382 I C 1.978 178.116 176.117 0.034 0.000 1.088 382 I CA 1.455 62.783 61.300 0.047 0.000 1.357 382 I CB -0.545 37.488 38.000 0.055 0.000 1.051 382 I HN 0.243 nan 8.210 nan 0.000 0.409 383 D N 1.005 121.418 120.400 0.023 0.000 2.117 383 D HA -0.148 4.532 4.640 0.066 0.000 0.197 383 D C 2.252 178.562 176.300 0.017 0.000 0.987 383 D CA 1.551 55.563 54.000 0.020 0.000 0.829 383 D CB -0.239 40.567 40.800 0.011 0.000 0.961 383 D HN 0.338 nan 8.370 nan 0.000 0.460 384 A N 0.588 123.414 122.820 0.009 0.000 1.883 384 A HA -0.175 4.184 4.320 0.066 0.000 0.217 384 A C 2.539 180.130 177.584 0.010 0.000 1.186 384 A CA 1.522 53.563 52.037 0.005 0.000 0.624 384 A CB -0.845 18.153 19.000 -0.004 0.000 0.822 384 A HN 0.160 nan 8.150 nan 0.000 0.444 385 V N -0.004 119.918 119.914 0.014 0.000 2.343 385 V HA -0.246 3.913 4.120 0.066 0.000 0.247 385 V C 2.537 178.648 176.094 0.029 0.000 1.051 385 V CA 1.899 64.211 62.300 0.020 0.000 1.036 385 V CB -0.705 31.134 31.823 0.027 0.000 0.654 385 V HN 0.563 nan 8.190 nan 0.000 0.451 386 L N -0.332 120.912 121.223 0.036 0.000 2.141 386 L HA -0.138 4.242 4.340 0.066 0.000 0.209 386 L C 2.306 179.197 176.870 0.034 0.000 1.094 386 L CA 1.494 56.359 54.840 0.043 0.000 0.763 386 L CB -0.422 41.666 42.059 0.049 0.000 0.908 386 L HN 0.414 nan 8.230 nan 0.000 0.437 387 E N -0.320 119.896 120.200 0.026 0.000 2.489 387 E HA 0.136 4.525 4.350 0.066 0.000 0.193 387 E C 1.084 177.694 176.600 0.017 0.000 1.057 387 E CA 0.483 56.896 56.400 0.021 0.000 0.866 387 E CB 0.270 29.981 29.700 0.017 0.000 0.916 387 E HN 0.395 nan 8.360 nan 0.000 0.500 388 A N 1.682 124.512 122.820 0.017 0.000 2.847 388 A HA -0.294 4.066 4.320 0.066 0.000 0.263 388 A C 0.550 178.138 177.584 0.007 0.000 1.391 388 A CA 1.087 53.131 52.037 0.012 0.000 0.866 388 A CB -2.116 16.892 19.000 0.013 0.000 1.057 388 A HN 0.454 nan 8.150 nan 0.000 0.673 389 Q N -0.135 119.669 119.800 0.006 0.000 2.313 389 Q HA 0.398 4.777 4.340 0.066 0.000 0.266 389 Q C -2.341 173.658 176.000 -0.002 0.000 0.989 389 Q CA -1.724 54.080 55.803 0.002 0.000 0.890 389 Q CB 0.490 29.229 28.738 0.002 0.000 1.200 389 Q HN 0.398 nan 8.270 nan 0.000 0.396 390 P HA -0.044 nan 4.420 nan 0.000 0.263 390 P C 0.089 177.383 177.300 -0.009 0.000 1.195 390 P CA 0.440 63.536 63.100 -0.006 0.000 0.762 390 P CB 0.470 32.166 31.700 -0.006 0.000 0.799 391 I N 1.922 122.484 120.570 -0.013 0.000 2.264 391 I HA -0.318 3.891 4.170 0.066 0.000 0.248 391 I C 1.228 177.335 176.117 -0.016 0.000 1.111 391 I CA 1.742 63.032 61.300 -0.017 0.000 1.382 391 I CB -0.481 37.505 38.000 -0.023 0.000 1.060 391 I HN 0.368 nan 8.210 nan 0.000 0.418 392 D N 0.531 120.923 120.400 -0.014 0.000 2.123 392 D HA -0.261 4.418 4.640 0.066 0.000 0.196 392 D C 2.041 178.334 176.300 -0.011 0.000 0.992 392 D CA 1.350 55.342 54.000 -0.013 0.000 0.833 392 D CB -0.244 40.548 40.800 -0.012 0.000 0.954 392 D HN 0.436 nan 8.370 nan 0.000 0.455 393 E N 0.378 120.572 120.200 -0.010 0.000 2.110 393 E HA -0.258 4.131 4.350 0.066 0.000 0.193 393 E C 1.774 178.370 176.600 -0.008 0.000 0.988 393 E CA 0.987 57.383 56.400 -0.008 0.000 0.804 393 E CB 0.126 29.823 29.700 -0.006 0.000 0.745 393 E HN -0.066 nan 8.360 nan 0.000 0.458 394 K N 0.638 121.033 120.400 -0.009 0.000 2.148 394 K HA 0.001 4.361 4.320 0.066 0.000 0.204 394 K C 1.721 178.315 176.600 -0.010 0.000 1.050 394 K CA 1.268 57.549 56.287 -0.010 0.000 0.942 394 K CB -0.436 32.057 32.500 -0.011 0.000 0.724 394 K HN 0.202 nan 8.250 nan 0.000 0.446 395 A N 0.981 123.793 122.820 -0.012 0.000 1.930 395 A HA -0.108 4.251 4.320 0.066 0.000 0.217 395 A C 1.688 179.267 177.584 -0.008 0.000 1.175 395 A CA 1.553 53.584 52.037 -0.010 0.000 0.627 395 A CB -0.436 18.555 19.000 -0.014 0.000 0.815 395 A HN 0.324 nan 8.150 nan 0.000 0.443 396 E N 0.211 120.406 120.200 -0.009 0.000 2.268 396 E HA -0.161 4.228 4.350 0.066 0.000 0.195 396 E C 1.861 178.458 176.600 -0.006 0.000 0.995 396 E CA 1.116 57.511 56.400 -0.008 0.000 0.836 396 E CB -0.335 29.360 29.700 -0.008 0.000 0.763 396 E HN 0.829 nan 8.360 nan 0.000 0.491 397 Q N -0.904 118.892 119.800 -0.006 0.000 2.339 397 Q HA 0.094 4.474 4.340 0.066 0.000 0.205 397 Q C 0.606 176.603 176.000 -0.005 0.000 0.925 397 Q CA 0.329 56.129 55.803 -0.006 0.000 0.898 397 Q CB 0.736 29.471 28.738 -0.006 0.000 1.013 397 Q HN 0.065 nan 8.270 nan 0.000 0.504 398 C N 1.759 121.056 119.300 -0.004 0.000 2.335 398 C HA 0.312 4.811 4.460 0.066 0.000 0.318 398 C C 1.393 176.389 174.990 0.010 0.000 1.150 398 C CA -0.778 58.239 59.018 -0.001 0.000 1.466 398 C CB 0.074 27.810 27.740 -0.006 0.000 2.024 398 C HN 0.280 nan 8.230 nan 0.000 0.429 399 K N 1.967 122.376 120.400 0.015 0.000 2.044 399 K HA -0.136 4.224 4.320 0.066 0.000 0.210 399 K C 1.385 178.023 176.600 0.064 0.000 1.049 399 K CA 1.976 58.279 56.287 0.026 0.000 0.927 399 K CB 0.039 32.553 32.500 0.024 0.000 0.713 399 K HN 0.776 nan 8.250 nan 0.000 0.443 400 D N 0.843 121.297 120.400 0.091 0.000 2.190 400 D HA -0.189 4.491 4.640 0.066 0.000 0.200 400 D C 1.870 178.311 176.300 0.235 0.000 0.992 400 D CA 0.744 54.865 54.000 0.203 0.000 0.854 400 D CB -0.041 40.772 40.800 0.021 0.000 0.936 400 D HN 0.108 nan 8.370 nan 0.000 0.462 401 L N 1.147 122.422 121.223 0.086 0.000 2.072 401 L HA -0.066 4.313 4.340 0.066 0.000 0.205 401 L C 2.130 179.020 176.870 0.032 0.000 1.079 401 L CA 1.668 56.533 54.840 0.042 0.000 0.752 401 L CB -0.444 41.611 42.059 -0.006 0.000 0.906 401 L HN -0.197 nan 8.230 nan 0.000 0.436 402 K N -0.502 119.911 120.400 0.021 0.000 2.032 402 K HA -0.180 4.179 4.320 0.066 0.000 0.209 402 K C 2.102 178.690 176.600 -0.021 0.000 1.048 402 K CA 1.972 58.257 56.287 -0.004 0.000 0.927 402 K CB -0.296 32.199 32.500 -0.008 0.000 0.712 402 K HN 0.402 nan 8.250 nan 0.000 0.441 403 L N 0.376 121.587 121.223 -0.019 0.000 2.042 403 L HA -0.204 4.175 4.340 0.066 0.000 0.210 403 L C 2.622 179.402 176.870 -0.150 0.000 1.076 403 L CA 1.333 56.104 54.840 -0.114 0.000 0.749 403 L CB -0.557 41.394 42.059 -0.180 0.000 0.893 403 L HN 0.333 nan 8.230 nan 0.000 0.432 404 A N 0.175 122.981 122.820 -0.024 0.000 1.855 404 A HA -0.140 4.220 4.320 0.066 0.000 0.215 404 A C 2.233 179.850 177.584 0.055 0.000 1.191 404 A CA 1.308 53.388 52.037 0.073 0.000 0.613 404 A CB -0.747 18.372 19.000 0.198 0.000 0.829 404 A HN 0.328 nan 8.150 nan 0.000 0.442 405 L N -0.347 120.888 121.223 0.019 0.000 2.042 405 L HA -0.225 4.154 4.340 0.066 0.000 0.210 405 L C 2.040 178.899 176.870 -0.019 0.000 1.076 405 L CA 1.593 56.439 54.840 0.010 0.000 0.749 405 L CB -0.808 41.244 42.059 -0.012 0.000 0.893 405 L HN 0.309 nan 8.230 nan 0.000 0.432 406 D N -0.145 120.219 120.400 -0.059 0.000 2.178 406 D HA -0.180 4.499 4.640 0.066 0.000 0.202 406 D C 2.122 178.334 176.300 -0.148 0.000 0.974 406 D CA 1.100 55.047 54.000 -0.088 0.000 0.841 406 D CB 0.016 40.760 40.800 -0.094 0.000 0.953 406 D HN 0.292 nan 8.370 nan 0.000 0.478 407 K N -0.835 119.428 120.400 -0.228 0.000 2.098 407 K HA -0.068 4.291 4.320 0.066 0.000 0.203 407 K C 1.348 177.643 176.600 -0.507 0.000 1.051 407 K CA 0.664 56.681 56.287 -0.450 0.000 0.957 407 K CB 0.038 32.135 32.500 -0.671 0.000 0.738 407 K HN 0.149 nan 8.250 nan 0.000 0.447 408 W N 0.279 121.479 121.300 -0.167 0.000 3.058 408 W HA 0.333 5.034 4.660 0.069 0.000 0.306 408 W C 0.060 176.511 176.519 -0.112 0.000 1.188 408 W CA 0.048 57.260 57.345 -0.222 0.000 1.651 408 W CB 1.229 30.428 29.460 -0.435 0.000 1.051 408 W HN 0.239 nan 8.180 nan 0.000 0.592 409 G N 0.500 109.366 108.800 0.109 0.000 2.535 409 G HA2 0.296 4.296 3.960 0.066 0.000 0.662 409 G HA3 0.296 4.296 3.960 0.066 0.000 0.662 409 G C -0.623 174.303 174.900 0.044 0.000 1.417 409 G CA -0.848 44.294 45.100 0.070 0.000 0.866 409 G HN 0.127 nan 8.290 nan 0.000 0.647 410 K N 0.097 120.507 120.400 0.016 0.000 2.276 410 K HA 0.930 5.289 4.320 0.066 0.000 0.259 410 K C 1.117 177.713 176.600 -0.006 0.000 1.001 410 K CA 0.848 57.135 56.287 -0.000 0.000 0.927 410 K CB 0.434 32.930 32.500 -0.007 0.000 0.969 410 K HN 2.427 nan 8.250 nan 0.000 0.490 411 A N 1.372 124.179 122.820 -0.021 0.000 2.531 411 A HA 0.306 4.665 4.320 0.066 0.000 0.236 411 A C 0.263 177.824 177.584 -0.037 0.000 1.062 411 A CA 0.275 52.291 52.037 -0.036 0.000 0.760 411 A CB -0.184 18.792 19.000 -0.040 0.000 0.995 411 A HN 0.835 nan 8.150 nan 0.000 0.501 412 E N 0.696 120.862 120.200 -0.057 0.000 2.284 412 E HA 0.577 4.966 4.350 0.066 0.000 0.255 412 E C 0.893 177.455 176.600 -0.063 0.000 1.052 412 E CA -0.173 56.193 56.400 -0.057 0.000 0.904 412 E CB 1.303 30.959 29.700 -0.073 0.000 1.217 412 E HN 1.235 nan 8.360 nan 0.000 0.438 413 A N 0.000 122.790 122.820 -0.050 0.000 2.254 413 A HA 0.000 4.359 4.320 0.066 0.000 0.244 413 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 413 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 413 A HN 0.000 nan 8.150 nan 0.000 0.486