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 2w1a_1_A DATA FIRST_RESID 3 DATA SEQUENCE WTVDIPIDQL PSLPPLPTDL RTRLDAALAK PAAQQPTWPA DQALAMRTVL DATA SEQUENCE ESVPPVTVPS EIVRLQEQLA QVAKGEAFLL QGGDCAETFM DNTEPHIRGN DATA SEQUENCE VRALLQMAVV LTYGASMPVV KVARIAGQYA KPRSADIDAL GLRSYRGDMI DATA SEQUENCE NGFAPDAAAR EHDPSRLVRA YANASAAMNL VRALTSSGLA SLHLVHDWNR DATA SEQUENCE EFVRTSPAGA RYEALATEID RGLRFMSACG VXXXXXXXAE IYASHEALVL DATA SEQUENCE DYERAMLRLS DXXDGEPQLF DLSAHTVWIG ERTRQIDGAH IAFAQVIANP DATA SEQUENCE VGVKLGPNMT PELAVEYVER LDPHNKPGRL TLVSRMGNHK VRDLLPPIVE DATA SEQUENCE KVQATGHQVI WQCDPMHGNT HESSTGFKTR HFDRIVDEVQ GFFEVHRALG DATA SEQUENCE THPGGIHVEI TGENVTECLG GAQDISETDL AGRYETACDP RLNTQQSLEL DATA SEQUENCE AFLVAEMLRD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 W HA 0.000 nan 4.660 nan 0.000 0.303 3 W C 0.000 176.528 176.519 0.015 0.000 1.175 3 W CA 0.000 57.353 57.345 0.014 0.000 1.226 3 W CB 0.000 29.469 29.460 0.015 0.000 1.126 4 T N -0.037 114.526 114.554 0.015 0.000 2.906 4 T HA 0.633 4.983 4.350 -0.000 0.000 0.295 4 T C -0.418 174.288 174.700 0.010 0.000 1.061 4 T CA 0.290 62.399 62.100 0.015 0.000 1.000 4 T CB 1.077 69.957 68.868 0.021 0.000 1.103 4 T HN 1.993 nan 8.240 nan 0.000 0.486 5 V N -0.166 119.752 119.914 0.007 0.000 2.581 5 V HA 0.735 4.855 4.120 -0.000 0.000 0.303 5 V C -1.138 174.956 176.094 0.000 0.000 1.041 5 V CA -0.874 61.427 62.300 0.002 0.000 0.907 5 V CB 1.494 33.316 31.823 -0.001 0.000 0.994 5 V HN 0.878 nan 8.190 nan 0.000 0.442 6 D N 5.215 125.615 120.400 -0.001 0.000 2.317 6 D HA 0.509 5.149 4.640 -0.000 0.000 0.234 6 D C -0.309 175.986 176.300 -0.008 0.000 1.112 6 D CA -0.072 53.926 54.000 -0.003 0.000 0.840 6 D CB 1.356 42.155 40.800 -0.001 0.000 1.078 6 D HN 0.477 nan 8.370 nan 0.000 0.486 7 I N 3.853 124.415 120.570 -0.014 0.000 2.328 7 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 7 I C -1.882 174.224 176.117 -0.018 0.000 1.012 7 I CA -2.212 59.077 61.300 -0.017 0.000 1.195 7 I CB 0.378 38.363 38.000 -0.025 0.000 1.350 7 I HN 0.040 nan 8.210 nan 0.000 0.464 8 P HA 0.183 nan 4.420 nan 0.000 0.262 8 P C -0.184 177.104 177.300 -0.019 0.000 1.182 8 P CA 0.063 63.153 63.100 -0.017 0.000 0.761 8 P CB 0.525 32.216 31.700 -0.014 0.000 0.795 9 I N 2.848 123.404 120.570 -0.023 0.000 2.301 9 I HA 0.074 4.244 4.170 -0.000 0.000 0.292 9 I C 0.155 176.257 176.117 -0.025 0.000 1.046 9 I CA -0.408 60.877 61.300 -0.026 0.000 1.282 9 I CB 0.235 38.214 38.000 -0.035 0.000 1.409 9 I HN 0.289 nan 8.210 nan 0.000 0.484 10 D N 6.579 126.966 120.400 -0.021 0.000 2.450 10 D HA 0.052 4.692 4.640 -0.000 0.000 0.247 10 D C -0.157 176.127 176.300 -0.027 0.000 1.162 10 D CA 0.286 54.274 54.000 -0.020 0.000 0.879 10 D CB 0.506 41.296 40.800 -0.015 0.000 1.163 10 D HN 0.452 nan 8.370 nan 0.000 0.472 11 Q N 2.270 122.055 119.800 -0.026 0.000 2.337 11 Q HA 0.390 4.730 4.340 -0.000 0.000 0.255 11 Q C -0.481 175.502 176.000 -0.027 0.000 0.997 11 Q CA -0.143 55.642 55.803 -0.030 0.000 0.925 11 Q CB 0.895 29.616 28.738 -0.028 0.000 1.212 11 Q HN 0.375 nan 8.270 nan 0.000 0.436 12 L N 3.062 124.266 121.223 -0.032 0.000 2.301 12 L HA 0.629 4.969 4.340 -0.000 0.000 0.264 12 L C -2.079 174.773 176.870 -0.030 0.000 1.016 12 L CA -2.468 52.355 54.840 -0.028 0.000 0.821 12 L CB 1.112 43.153 42.059 -0.030 0.000 1.346 12 L HN 0.453 nan 8.230 nan 0.000 0.429 13 P HA 0.214 nan 4.420 nan 0.000 0.275 13 P C -0.738 176.546 177.300 -0.027 0.000 1.227 13 P CA -0.299 62.787 63.100 -0.023 0.000 0.781 13 P CB 0.832 32.521 31.700 -0.018 0.000 0.906 14 S N 1.166 116.850 115.700 -0.027 0.000 2.585 14 S HA 0.255 4.725 4.470 -0.000 0.000 0.273 14 S C 0.546 175.131 174.600 -0.025 0.000 1.339 14 S CA -0.435 57.748 58.200 -0.029 0.000 1.028 14 S CB 0.070 63.254 63.200 -0.026 0.000 0.906 14 S HN 0.255 nan 8.310 nan 0.000 0.528 15 L N 1.997 123.204 121.223 -0.027 0.000 2.472 15 L HA 0.443 4.783 4.340 -0.000 0.000 0.256 15 L C -1.961 174.899 176.870 -0.018 0.000 1.111 15 L CA -2.238 52.589 54.840 -0.022 0.000 0.800 15 L CB -0.371 41.673 42.059 -0.024 0.000 1.286 15 L HN 0.384 nan 8.230 nan 0.000 0.479 16 P HA 0.074 nan 4.420 nan 0.000 0.266 16 P C -2.387 174.907 177.300 -0.011 0.000 1.193 16 P CA -0.583 62.510 63.100 -0.011 0.000 0.770 16 P CB -0.425 31.270 31.700 -0.008 0.000 0.836 17 P HA 0.127 nan 4.420 nan 0.000 0.272 17 P C -0.169 177.129 177.300 -0.003 0.000 1.230 17 P CA -0.249 62.846 63.100 -0.007 0.000 0.788 17 P CB 0.674 32.371 31.700 -0.005 0.000 0.949 18 L N 1.819 123.041 121.223 -0.001 0.000 2.482 18 L HA 0.114 4.454 4.340 -0.000 0.000 0.273 18 L C -1.743 175.129 176.870 0.003 0.000 1.228 18 L CA -1.565 53.277 54.840 0.003 0.000 0.827 18 L CB -0.751 41.312 42.059 0.006 0.000 1.099 18 L HN 0.291 nan 8.230 nan 0.000 0.494 19 P HA 0.007 nan 4.420 nan 0.000 0.267 19 P C 0.467 177.768 177.300 0.001 0.000 1.200 19 P CA 0.001 63.103 63.100 0.003 0.000 0.772 19 P CB 0.489 32.191 31.700 0.004 0.000 0.855 20 T N 0.668 115.222 114.554 0.001 0.000 2.720 20 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 20 T C 1.227 175.927 174.700 0.000 0.000 1.037 20 T CA 1.997 64.097 62.100 0.001 0.000 1.144 20 T CB -0.720 68.148 68.868 0.001 0.000 0.864 20 T HN 0.628 nan 8.240 nan 0.000 0.444 21 D N 1.733 122.133 120.400 -0.001 0.000 2.117 21 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 21 D C 2.063 178.361 176.300 -0.004 0.000 0.982 21 D CA 0.914 54.913 54.000 -0.002 0.000 0.828 21 D CB -0.924 39.875 40.800 -0.002 0.000 0.967 21 D HN 0.351 nan 8.370 nan 0.000 0.464 22 L N -0.395 120.824 121.223 -0.005 0.000 2.093 22 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 22 L C 2.924 179.788 176.870 -0.009 0.000 1.085 22 L CA 0.797 55.630 54.840 -0.011 0.000 0.755 22 L CB -0.292 41.760 42.059 -0.012 0.000 0.904 22 L HN -0.058 nan 8.230 nan 0.000 0.435 23 R N -0.547 119.952 120.500 -0.002 0.000 2.092 23 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 23 R C 2.293 178.596 176.300 0.005 0.000 1.119 23 R CA 1.781 57.883 56.100 0.003 0.000 0.970 23 R CB -0.505 29.798 30.300 0.005 0.000 0.864 23 R HN 0.326 nan 8.270 nan 0.000 0.440 24 T N 0.656 115.211 114.554 0.002 0.000 2.720 24 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 24 T C 1.784 176.485 174.700 0.002 0.000 1.037 24 T CA 1.310 63.411 62.100 0.003 0.000 1.144 24 T CB -0.118 68.751 68.868 0.002 0.000 0.864 24 T HN 0.310 nan 8.240 nan 0.000 0.444 25 R N 0.165 120.663 120.500 -0.003 0.000 2.090 25 R HA 0.083 4.423 4.340 -0.000 0.000 0.228 25 R C 2.401 178.697 176.300 -0.006 0.000 1.110 25 R CA 0.762 56.858 56.100 -0.008 0.000 0.973 25 R CB -0.524 29.766 30.300 -0.017 0.000 0.869 25 R HN 0.226 nan 8.270 nan 0.000 0.440 26 L N 1.473 122.692 121.223 -0.005 0.000 2.046 26 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 26 L C 1.292 178.180 176.870 0.030 0.000 1.077 26 L CA 1.901 56.747 54.840 0.010 0.000 0.747 26 L CB -0.346 41.723 42.059 0.017 0.000 0.896 26 L HN 0.059 nan 8.230 nan 0.000 0.432 27 D N -0.048 120.365 120.400 0.022 0.000 2.097 27 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 27 D C 2.228 178.540 176.300 0.020 0.000 0.989 27 D CA 1.582 55.595 54.000 0.023 0.000 0.827 27 D CB -0.304 40.506 40.800 0.016 0.000 0.966 27 D HN 0.489 nan 8.370 nan 0.000 0.456 28 A N 1.066 123.895 122.820 0.015 0.000 1.908 28 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 28 A C 2.313 179.907 177.584 0.018 0.000 1.181 28 A CA 2.473 54.518 52.037 0.013 0.000 0.627 28 A CB -0.711 18.293 19.000 0.007 0.000 0.818 28 A HN 0.256 nan 8.150 nan 0.000 0.445 29 A N -0.458 122.375 122.820 0.022 0.000 1.873 29 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 29 A C 1.987 179.597 177.584 0.043 0.000 1.186 29 A CA 1.361 53.418 52.037 0.033 0.000 0.616 29 A CB -0.511 18.509 19.000 0.034 0.000 0.823 29 A HN 0.454 nan 8.150 nan 0.000 0.442 30 L N -0.501 120.752 121.223 0.049 0.000 2.599 30 L HA 0.026 4.366 4.340 -0.000 0.000 0.230 30 L C 2.544 179.427 176.870 0.021 0.000 1.141 30 L CA 0.415 55.278 54.840 0.037 0.000 0.877 30 L CB -0.297 41.792 42.059 0.049 0.000 1.009 30 L HN 0.439 nan 8.230 nan 0.000 0.447 31 A N -0.106 122.728 122.820 0.022 0.000 2.168 31 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 31 A C 1.106 178.700 177.584 0.017 0.000 1.152 31 A CA 0.522 52.569 52.037 0.018 0.000 0.716 31 A CB -0.180 18.829 19.000 0.016 0.000 0.794 31 A HN 0.251 nan 8.150 nan 0.000 0.465 32 K N 0.941 121.352 120.400 0.019 0.000 2.202 32 K HA 0.300 4.620 4.320 -0.000 0.000 0.264 32 K C -2.536 174.077 176.600 0.020 0.000 1.010 32 K CA -1.870 54.431 56.287 0.022 0.000 0.940 32 K CB 0.265 32.783 32.500 0.030 0.000 0.983 32 K HN 0.104 nan 8.250 nan 0.000 0.475 33 P HA 0.022 nan 4.420 nan 0.000 0.268 33 P C -1.426 175.900 177.300 0.043 0.000 1.204 33 P CA -0.162 62.956 63.100 0.029 0.000 0.768 33 P CB 0.902 32.620 31.700 0.031 0.000 0.842 34 A N 2.963 125.805 122.820 0.037 0.000 2.287 34 A HA 0.655 4.975 4.320 -0.000 0.000 0.317 34 A C 0.161 177.808 177.584 0.105 0.000 1.220 34 A CA -0.697 51.382 52.037 0.069 0.000 0.835 34 A CB 0.831 19.812 19.000 -0.032 0.000 1.180 34 A HN 0.604 nan 8.150 nan 0.000 0.500 35 A N 2.217 125.131 122.820 0.157 0.000 2.322 35 A HA 0.562 4.881 4.320 -0.000 0.000 0.269 35 A C 0.614 178.239 177.584 0.068 0.000 1.094 35 A CA -0.120 51.964 52.037 0.077 0.000 0.807 35 A CB 0.076 19.095 19.000 0.032 0.000 1.047 35 A HN 1.219 nan 8.150 nan 0.000 0.487 36 Q N -0.922 118.885 119.800 0.010 0.000 2.502 36 Q HA -0.133 4.207 4.340 -0.000 0.000 0.273 36 Q C -0.531 175.449 176.000 -0.034 0.000 1.127 36 Q CA 0.913 56.703 55.803 -0.023 0.000 0.952 36 Q CB -1.635 27.070 28.738 -0.055 0.000 1.333 36 Q HN 0.854 nan 8.270 nan 0.000 0.494 37 Q N 0.386 120.167 119.800 -0.032 0.000 2.227 37 Q HA 0.490 4.830 4.340 -0.000 0.000 0.245 37 Q C -1.879 174.016 176.000 -0.175 0.000 0.926 37 Q CA -1.764 53.989 55.803 -0.084 0.000 0.895 37 Q CB 0.408 29.116 28.738 -0.051 0.000 1.230 37 Q HN 0.026 nan 8.270 nan 0.000 0.450 38 P HA -0.005 nan 4.420 nan 0.000 0.268 38 P C 0.354 177.391 177.300 -0.439 0.000 1.208 38 P CA 0.230 62.985 63.100 -0.575 0.000 0.777 38 P CB 0.387 31.044 31.700 -1.739 0.000 0.875 39 T N -3.138 111.281 114.554 -0.226 0.000 3.176 39 T HA 0.177 4.527 4.350 -0.000 0.000 0.263 39 T C 0.110 174.781 174.700 -0.048 0.000 1.021 39 T CA -0.705 61.284 62.100 -0.184 0.000 0.905 39 T CB -0.820 67.900 68.868 -0.248 0.000 1.057 39 T HN 0.389 nan 8.240 nan 0.000 0.558 40 W N 1.911 123.270 121.300 0.098 0.000 2.148 40 W HA 0.556 5.216 4.660 -0.000 0.000 0.347 40 W C -2.805 173.737 176.519 0.039 0.000 1.288 40 W CA -3.189 54.198 57.345 0.069 0.000 1.252 40 W CB -1.185 28.330 29.460 0.091 0.000 1.156 40 W HN -0.061 nan 8.180 nan 0.000 0.580 41 P HA 0.164 nan 4.420 nan 0.000 0.269 41 P C 0.669 178.078 177.300 0.181 0.000 1.209 41 P CA 0.445 63.656 63.100 0.185 0.000 0.776 41 P CB 0.799 32.564 31.700 0.108 0.000 0.876 42 A N 3.061 125.961 122.820 0.134 0.000 1.972 42 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 42 A C 1.719 179.335 177.584 0.053 0.000 1.169 42 A CA 1.886 53.988 52.037 0.108 0.000 0.635 42 A CB -1.029 18.019 19.000 0.080 0.000 0.810 42 A HN 0.668 nan 8.150 nan 0.000 0.446 43 D N -0.396 120.024 120.400 0.034 0.000 2.183 43 D HA -0.180 4.460 4.640 -0.000 0.000 0.203 43 D C 1.783 178.069 176.300 -0.023 0.000 0.969 43 D CA 1.406 55.410 54.000 0.006 0.000 0.842 43 D CB -0.733 40.071 40.800 0.007 0.000 0.957 43 D HN 0.617 nan 8.370 nan 0.000 0.484 44 Q N 0.435 120.216 119.800 -0.031 0.000 2.049 44 Q HA 0.044 4.384 4.340 -0.000 0.000 0.198 44 Q C 2.459 178.347 176.000 -0.186 0.000 0.971 44 Q CA 1.438 57.185 55.803 -0.094 0.000 0.833 44 Q CB -0.240 28.447 28.738 -0.085 0.000 0.896 44 Q HN 0.391 nan 8.270 nan 0.000 0.434 45 A N 1.291 123.992 122.820 -0.199 0.000 1.892 45 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 45 A C 2.092 179.607 177.584 -0.114 0.000 1.188 45 A CA 1.493 53.391 52.037 -0.232 0.000 0.631 45 A CB -0.766 18.237 19.000 0.004 0.000 0.822 45 A HN 0.357 nan 8.150 nan 0.000 0.447 46 L N -0.262 120.930 121.223 -0.052 0.000 2.046 46 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 46 L C 2.655 179.492 176.870 -0.056 0.000 1.077 46 L CA 2.267 57.085 54.840 -0.036 0.000 0.747 46 L CB -0.918 41.132 42.059 -0.015 0.000 0.896 46 L HN 0.360 nan 8.230 nan 0.000 0.432 47 A N -0.825 121.953 122.820 -0.070 0.000 1.902 47 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 47 A C 2.180 179.710 177.584 -0.090 0.000 1.181 47 A CA 2.174 54.167 52.037 -0.072 0.000 0.623 47 A CB -0.496 18.462 19.000 -0.071 0.000 0.818 47 A HN 0.489 nan 8.150 nan 0.000 0.443 48 M N -0.837 118.688 119.600 -0.125 0.000 2.200 48 M HA -0.019 4.461 4.480 -0.000 0.000 0.265 48 M C 2.153 178.390 176.300 -0.104 0.000 1.066 48 M CA 1.126 56.347 55.300 -0.132 0.000 1.127 48 M CB -1.179 31.298 32.600 -0.205 0.000 1.379 48 M HN 0.404 nan 8.290 nan 0.000 0.420 49 R N -0.336 120.110 120.500 -0.089 0.000 2.091 49 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 49 R C 2.167 178.421 176.300 -0.076 0.000 1.136 49 R CA 1.905 57.964 56.100 -0.068 0.000 0.959 49 R CB -0.751 29.526 30.300 -0.039 0.000 0.856 49 R HN 0.364 nan 8.270 nan 0.000 0.437 50 T N 0.792 115.305 114.554 -0.068 0.000 2.759 50 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 50 T C 1.984 176.636 174.700 -0.080 0.000 1.042 50 T CA 1.315 63.376 62.100 -0.064 0.000 1.140 50 T CB -0.151 68.686 68.868 -0.051 0.000 0.864 50 T HN 0.011 nan 8.240 nan 0.000 0.455 51 V N 1.456 121.315 119.914 -0.091 0.000 2.261 51 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 51 V C 2.456 178.456 176.094 -0.157 0.000 1.047 51 V CA 1.507 63.743 62.300 -0.106 0.000 1.015 51 V CB -0.634 31.131 31.823 -0.096 0.000 0.642 51 V HN 0.450 nan 8.190 nan 0.000 0.446 52 L N -0.408 120.708 121.223 -0.179 0.000 2.201 52 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 52 L C 2.457 179.186 176.870 -0.235 0.000 1.105 52 L CA 1.250 55.927 54.840 -0.272 0.000 0.775 52 L CB -0.610 41.304 42.059 -0.242 0.000 0.913 52 L HN 0.403 nan 8.230 nan 0.000 0.440 53 E N -0.119 119.991 120.200 -0.151 0.000 2.265 53 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 53 E C 1.875 178.412 176.600 -0.105 0.000 0.996 53 E CA 1.431 57.765 56.400 -0.110 0.000 0.832 53 E CB 0.088 29.745 29.700 -0.072 0.000 0.756 53 E HN 0.511 nan 8.360 nan 0.000 0.491 54 S N -0.531 115.097 115.700 -0.120 0.000 2.559 54 S HA 0.099 4.569 4.470 -0.000 0.000 0.226 54 S C 0.721 175.252 174.600 -0.115 0.000 1.000 54 S CA -0.406 57.736 58.200 -0.097 0.000 0.948 54 S CB -0.112 63.044 63.200 -0.073 0.000 0.870 54 S HN 0.082 nan 8.310 nan 0.000 0.497 55 V N -0.259 119.536 119.914 -0.197 0.000 3.003 55 V HA 0.529 4.649 4.120 -0.000 0.000 0.305 55 V C -2.778 173.253 176.094 -0.105 0.000 1.078 55 V CA -2.198 59.971 62.300 -0.218 0.000 1.083 55 V CB -0.641 30.824 31.823 -0.597 0.000 1.039 55 V HN 0.008 nan 8.190 nan 0.000 0.481 56 P HA 0.248 nan 4.420 nan 0.000 0.265 56 P C -2.494 174.890 177.300 0.140 0.000 1.193 56 P CA -0.613 62.534 63.100 0.079 0.000 0.765 56 P CB -0.277 31.491 31.700 0.113 0.000 0.823 57 P HA 0.032 nan 4.420 nan 0.000 0.274 57 P C 0.543 177.923 177.300 0.133 0.000 1.237 57 P CA -0.153 63.007 63.100 0.099 0.000 0.793 57 P CB 0.893 32.612 31.700 0.032 0.000 0.977 58 V N 0.022 120.019 119.914 0.139 0.000 2.591 58 V HA -0.035 4.084 4.120 -0.000 0.000 0.249 58 V C 1.489 177.591 176.094 0.013 0.000 1.053 58 V CA 2.246 64.600 62.300 0.089 0.000 1.068 58 V CB -0.945 30.947 31.823 0.116 0.000 0.689 58 V HN 0.818 nan 8.190 nan 0.000 0.462 59 T N -1.606 112.926 114.554 -0.036 0.000 2.887 59 T HA 0.728 5.078 4.350 -0.000 0.000 0.292 59 T C -0.761 173.911 174.700 -0.046 0.000 1.087 59 T CA -0.315 61.716 62.100 -0.115 0.000 1.009 59 T CB 2.122 70.732 68.868 -0.430 0.000 1.203 59 T HN 0.239 nan 8.240 nan 0.000 0.518 60 V N -1.735 118.170 119.914 -0.016 0.000 2.864 60 V HA 0.621 4.741 4.120 -0.000 0.000 0.314 60 V C -2.330 173.704 176.094 -0.101 0.000 1.073 60 V CA -2.629 59.640 62.300 -0.051 0.000 0.956 60 V CB 1.363 33.170 31.823 -0.027 0.000 1.023 60 V HN 0.616 nan 8.190 nan 0.000 0.435 61 P HA -0.142 nan 4.420 nan 0.000 0.215 61 P C 1.983 179.128 177.300 -0.257 0.000 1.153 61 P CA 2.410 65.149 63.100 -0.601 0.000 0.853 61 P CB 0.053 31.205 31.700 -0.914 0.000 0.788 62 S N -0.300 115.322 115.700 -0.129 0.000 2.400 62 S HA -0.223 4.246 4.470 -0.000 0.000 0.232 62 S C 1.845 176.481 174.600 0.060 0.000 1.025 62 S CA 1.322 59.508 58.200 -0.024 0.000 0.993 62 S CB -1.256 61.936 63.200 -0.013 0.000 0.808 62 S HN 0.257 nan 8.310 nan 0.000 0.478 63 E N 1.075 121.345 120.200 0.116 0.000 2.106 63 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 63 E C 1.989 178.763 176.600 0.290 0.000 0.984 63 E CA 1.300 57.847 56.400 0.245 0.000 0.806 63 E CB -0.348 29.589 29.700 0.395 0.000 0.750 63 E HN 0.599 nan 8.360 nan 0.000 0.458 64 I N 0.813 121.546 120.570 0.272 0.000 2.286 64 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 64 I C 2.630 178.857 176.117 0.182 0.000 1.104 64 I CA 0.693 62.154 61.300 0.267 0.000 1.397 64 I CB -0.250 37.970 38.000 0.367 0.000 1.072 64 I HN 0.082 nan 8.210 nan 0.000 0.417 65 V N 0.150 120.171 119.914 0.179 0.000 2.626 65 V HA -0.208 3.912 4.120 -0.000 0.000 0.252 65 V C 2.607 178.743 176.094 0.070 0.000 1.067 65 V CA 1.659 64.038 62.300 0.132 0.000 1.081 65 V CB -0.597 31.305 31.823 0.132 0.000 0.686 65 V HN 0.312 nan 8.190 nan 0.000 0.468 66 R N 0.211 120.756 120.500 0.076 0.000 2.075 66 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 66 R C 2.051 178.350 176.300 -0.002 0.000 1.126 66 R CA 2.222 58.362 56.100 0.066 0.000 0.963 66 R CB -1.122 29.251 30.300 0.122 0.000 0.858 66 R HN 0.573 nan 8.270 nan 0.000 0.435 67 L N 0.664 121.820 121.223 -0.112 0.000 2.042 67 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 67 L C 2.173 178.925 176.870 -0.195 0.000 1.076 67 L CA 2.088 56.693 54.840 -0.393 0.000 0.749 67 L CB -0.894 40.761 42.059 -0.673 0.000 0.893 67 L HN 0.299 nan 8.230 nan 0.000 0.432 68 Q N 0.090 119.839 119.800 -0.086 0.000 2.135 68 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 68 Q C 2.067 178.044 176.000 -0.039 0.000 0.981 68 Q CA 2.198 57.972 55.803 -0.048 0.000 0.856 68 Q CB -0.206 28.531 28.738 -0.002 0.000 0.902 68 Q HN 0.682 nan 8.270 nan 0.000 0.425 69 E N -0.489 119.697 120.200 -0.023 0.000 2.077 69 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 69 E C 2.133 178.722 176.600 -0.019 0.000 0.989 69 E CA 1.336 57.730 56.400 -0.012 0.000 0.800 69 E CB -0.045 29.659 29.700 0.006 0.000 0.746 69 E HN 0.510 nan 8.360 nan 0.000 0.452 70 Q N 0.175 119.955 119.800 -0.033 0.000 2.137 70 Q HA -0.031 4.309 4.340 -0.000 0.000 0.198 70 Q C 2.275 178.248 176.000 -0.044 0.000 0.960 70 Q CA 0.673 56.460 55.803 -0.027 0.000 0.847 70 Q CB 0.095 28.823 28.738 -0.017 0.000 0.915 70 Q HN 0.289 nan 8.270 nan 0.000 0.448 71 L N 0.184 121.361 121.223 -0.078 0.000 2.141 71 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 71 L C 2.463 179.302 176.870 -0.052 0.000 1.094 71 L CA 0.782 55.576 54.840 -0.076 0.000 0.763 71 L CB -0.598 41.402 42.059 -0.099 0.000 0.908 71 L HN 0.227 nan 8.230 nan 0.000 0.437 72 A N -0.158 122.637 122.820 -0.042 0.000 1.940 72 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 72 A C 2.213 179.778 177.584 -0.031 0.000 1.176 72 A CA 1.606 53.623 52.037 -0.032 0.000 0.631 72 A CB -0.417 18.569 19.000 -0.024 0.000 0.814 72 A HN 0.487 nan 8.150 nan 0.000 0.446 73 Q N -0.546 119.239 119.800 -0.026 0.000 2.119 73 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 73 Q C 2.136 178.116 176.000 -0.033 0.000 0.972 73 Q CA 1.535 57.324 55.803 -0.025 0.000 0.847 73 Q CB -0.370 28.364 28.738 -0.007 0.000 0.903 73 Q HN 0.511 nan 8.270 nan 0.000 0.433 74 V N 1.162 121.068 119.914 -0.013 0.000 2.261 74 V HA -0.297 3.822 4.120 -0.000 0.000 0.246 74 V C 2.322 178.425 176.094 0.014 0.000 1.047 74 V CA 1.901 64.215 62.300 0.023 0.000 1.015 74 V CB -1.088 30.741 31.823 0.010 0.000 0.642 74 V HN 0.413 nan 8.190 nan 0.000 0.446 75 A N -0.288 122.525 122.820 -0.011 0.000 1.978 75 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 75 A C 2.172 179.741 177.584 -0.025 0.000 1.170 75 A CA 1.949 53.981 52.037 -0.008 0.000 0.636 75 A CB -0.452 18.526 19.000 -0.037 0.000 0.810 75 A HN 0.590 nan 8.150 nan 0.000 0.448 76 K N -1.513 118.846 120.400 -0.068 0.000 2.487 76 K HA 0.228 4.548 4.320 -0.000 0.000 0.192 76 K C 0.963 177.448 176.600 -0.192 0.000 1.027 76 K CA 0.457 56.691 56.287 -0.087 0.000 1.054 76 K CB -0.058 32.406 32.500 -0.061 0.000 0.824 76 K HN 0.680 nan 8.250 nan 0.000 0.510 77 G N 1.720 110.267 108.800 -0.422 0.000 2.132 77 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.234 77 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.234 77 G C 0.276 174.879 174.900 -0.494 0.000 0.989 77 G CA 0.167 44.706 45.100 -0.936 0.000 0.676 77 G HN 0.453 nan 8.290 nan 0.000 0.522 78 E N -0.500 119.555 120.200 -0.241 0.000 2.526 78 E HA 0.573 4.923 4.350 -0.000 0.000 0.208 78 E C 0.903 177.507 176.600 0.007 0.000 0.997 78 E CA 0.577 56.931 56.400 -0.078 0.000 0.961 78 E CB 0.866 30.534 29.700 -0.053 0.000 1.030 78 E HN 0.908 nan 8.360 nan 0.000 0.483 79 A N 0.666 123.519 122.820 0.054 0.000 2.602 79 A HA 0.671 4.991 4.320 -0.000 0.000 0.290 79 A C -2.012 175.756 177.584 0.308 0.000 1.114 79 A CA -0.615 51.511 52.037 0.149 0.000 0.683 79 A CB 1.174 20.227 19.000 0.089 0.000 1.281 79 A HN 0.112 nan 8.150 nan 0.000 0.416 80 F N 0.121 120.142 119.950 0.119 0.000 2.540 80 F HA 0.676 5.203 4.527 -0.000 0.000 0.317 80 F C -1.052 174.787 175.800 0.066 0.000 1.104 80 F CA -0.983 57.090 58.000 0.122 0.000 0.913 80 F CB 1.913 40.980 39.000 0.112 0.000 1.170 80 F HN 0.526 nan 8.300 nan 0.000 0.450 81 L N 6.913 127.824 121.223 -0.520 0.000 2.264 81 L HA 0.564 4.904 4.340 -0.000 0.000 0.289 81 L C -1.659 174.999 176.870 -0.353 0.000 1.044 81 L CA -0.596 54.042 54.840 -0.336 0.000 0.807 81 L CB 1.090 42.964 42.059 -0.308 0.000 1.192 81 L HN 0.611 nan 8.230 nan 0.000 0.425 82 L N 5.277 126.446 121.223 -0.089 0.000 2.298 82 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 82 L C -0.780 176.043 176.870 -0.077 0.000 1.013 82 L CA 0.110 54.934 54.840 -0.025 0.000 0.824 82 L CB 1.301 43.412 42.059 0.086 0.000 1.221 82 L HN 0.814 nan 8.230 nan 0.000 0.418 83 Q N 3.387 123.096 119.800 -0.152 0.000 2.321 83 Q HA 0.803 5.143 4.340 -0.000 0.000 0.270 83 Q C -0.945 174.960 176.000 -0.159 0.000 1.032 83 Q CA -0.560 55.105 55.803 -0.230 0.000 0.784 83 Q CB 1.948 30.365 28.738 -0.536 0.000 1.264 83 Q HN 0.947 nan 8.270 nan 0.000 0.448 84 G N 0.913 109.673 108.800 -0.066 0.000 2.632 84 G HA2 0.723 4.683 3.960 -0.000 0.000 0.292 84 G HA3 0.723 4.683 3.960 -0.000 0.000 0.292 84 G C -0.989 173.931 174.900 0.034 0.000 1.465 84 G CA -0.022 45.083 45.100 0.009 0.000 0.824 84 G HN 0.948 nan 8.290 nan 0.000 0.509 85 G N -0.380 108.449 108.800 0.049 0.000 2.345 85 G HA2 0.425 4.385 3.960 -0.000 0.000 0.285 85 G HA3 0.425 4.385 3.960 -0.000 0.000 0.285 85 G C -1.691 173.245 174.900 0.060 0.000 1.297 85 G CA -0.662 44.462 45.100 0.040 0.000 0.875 85 G HN 0.679 nan 8.290 nan 0.000 0.506 86 D N -0.418 120.020 120.400 0.063 0.000 2.449 86 D HA 0.222 4.862 4.640 -0.000 0.000 0.236 86 D C 1.590 177.948 176.300 0.096 0.000 1.149 86 D CA 0.339 54.386 54.000 0.079 0.000 0.878 86 D CB 1.507 42.371 40.800 0.107 0.000 1.198 86 D HN 0.627 nan 8.370 nan 0.000 0.446 87 C N 2.323 121.673 119.300 0.083 0.000 2.442 87 C HA 0.089 4.549 4.460 -0.000 0.000 0.279 87 C C 0.934 175.988 174.990 0.107 0.000 1.237 87 C CA 1.146 60.236 59.018 0.120 0.000 1.722 87 C CB -0.684 27.116 27.740 0.100 0.000 2.056 87 C HN 0.628 nan 8.230 nan 0.000 0.469 88 A N 0.769 123.628 122.820 0.066 0.000 2.311 88 A HA 0.594 4.914 4.320 -0.000 0.000 0.306 88 A C -0.603 176.986 177.584 0.009 0.000 1.189 88 A CA -0.335 51.724 52.037 0.037 0.000 0.791 88 A CB 0.334 19.381 19.000 0.078 0.000 1.172 88 A HN 0.682 nan 8.150 nan 0.000 0.481 89 E N 1.483 121.649 120.200 -0.056 0.000 2.360 89 E HA 0.338 4.688 4.350 -0.000 0.000 0.269 89 E C 0.363 177.024 176.600 0.102 0.000 1.022 89 E CA 0.279 56.658 56.400 -0.034 0.000 0.887 89 E CB 0.853 30.358 29.700 -0.325 0.000 0.990 89 E HN 0.727 nan 8.360 nan 0.000 0.426 90 T N -0.631 113.981 114.554 0.096 0.000 2.912 90 T HA 0.276 4.626 4.350 -0.000 0.000 0.288 90 T C 0.645 175.446 174.700 0.167 0.000 1.030 90 T CA -0.790 61.325 62.100 0.025 0.000 1.020 90 T CB 0.545 69.358 68.868 -0.092 0.000 1.056 90 T HN 0.201 nan 8.240 nan 0.000 0.480 91 F N 0.677 120.666 119.950 0.065 0.000 2.216 91 F HA 0.071 4.598 4.527 -0.000 0.000 0.300 91 F C 2.440 178.235 175.800 -0.008 0.000 1.085 91 F CA 0.695 58.689 58.000 -0.011 0.000 1.326 91 F CB -0.911 38.037 39.000 -0.087 0.000 1.027 91 F HN 0.586 nan 8.300 nan 0.000 0.497 92 M N -0.316 119.364 119.600 0.133 0.000 2.229 92 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 92 M C 0.767 177.065 176.300 -0.003 0.000 1.063 92 M CA 1.777 57.105 55.300 0.045 0.000 1.114 92 M CB -0.160 32.435 32.600 -0.009 0.000 1.387 92 M HN -0.018 nan 8.290 nan 0.000 0.420 93 D N 0.080 120.453 120.400 -0.045 0.000 2.342 93 D HA 0.015 4.655 4.640 -0.000 0.000 0.221 93 D C -0.110 176.179 176.300 -0.018 0.000 1.101 93 D CA 0.090 54.002 54.000 -0.146 0.000 0.837 93 D CB -0.271 40.285 40.800 -0.407 0.000 0.938 93 D HN 0.299 nan 8.370 nan 0.000 0.508 94 N N 1.854 120.617 118.700 0.105 0.000 3.178 94 N HA -0.022 4.718 4.740 -0.000 0.000 0.300 94 N C -0.568 175.014 175.510 0.119 0.000 1.242 94 N CA 0.109 53.264 53.050 0.174 0.000 1.192 94 N CB -0.142 38.487 38.487 0.237 0.000 1.463 94 N HN -0.001 nan 8.380 nan 0.000 0.539 95 T N -2.817 111.808 114.554 0.118 0.000 2.930 95 T HA 0.284 4.634 4.350 -0.000 0.000 0.290 95 T C 0.960 175.709 174.700 0.082 0.000 1.052 95 T CA -0.746 61.402 62.100 0.081 0.000 1.017 95 T CB 1.731 70.634 68.868 0.059 0.000 1.137 95 T HN 0.098 nan 8.240 nan 0.000 0.511 96 E N 0.641 120.871 120.200 0.049 0.000 2.038 96 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 96 E C -0.833 175.784 176.600 0.028 0.000 1.000 96 E CA 1.836 58.256 56.400 0.033 0.000 0.803 96 E CB -1.427 28.285 29.700 0.021 0.000 0.750 96 E HN 0.508 nan 8.360 nan 0.000 0.448 97 P HA -0.127 nan 4.420 nan 0.000 0.215 97 P C 1.227 178.545 177.300 0.030 0.000 1.153 97 P CA 1.686 64.798 63.100 0.020 0.000 0.853 97 P CB -0.257 31.458 31.700 0.025 0.000 0.788 98 H N -0.500 118.556 119.070 -0.024 0.000 2.326 98 H HA -0.008 4.548 4.556 -0.000 0.000 0.301 98 H C 1.858 177.171 175.328 -0.025 0.000 1.081 98 H CA 1.414 57.446 56.048 -0.026 0.000 1.334 98 H CB -0.950 28.804 29.762 -0.014 0.000 1.385 98 H HN -0.036 nan 8.280 nan 0.000 0.504 99 I N -0.009 120.530 120.570 -0.052 0.000 2.226 99 I HA -0.248 3.921 4.170 -0.000 0.000 0.245 99 I C 2.778 178.828 176.117 -0.111 0.000 1.100 99 I CA 1.454 62.697 61.300 -0.094 0.000 1.374 99 I CB -0.304 37.697 38.000 0.003 0.000 1.057 99 I HN 0.247 nan 8.210 nan 0.000 0.413 100 R N 1.051 121.503 120.500 -0.079 0.000 2.096 100 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 100 R C 2.311 178.523 176.300 -0.147 0.000 1.127 100 R CA 1.576 57.623 56.100 -0.088 0.000 0.968 100 R CB -0.509 29.754 30.300 -0.063 0.000 0.861 100 R HN 0.414 nan 8.270 nan 0.000 0.440 101 G N 0.294 108.992 108.800 -0.169 0.000 2.422 101 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 101 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 101 G C 1.063 175.838 174.900 -0.210 0.000 1.146 101 G CA 0.809 45.789 45.100 -0.201 0.000 0.769 101 G HN 0.339 nan 8.290 nan 0.000 0.547 102 N N 0.014 118.570 118.700 -0.241 0.000 2.250 102 N HA -0.039 4.701 4.740 -0.000 0.000 0.181 102 N C 2.278 177.713 175.510 -0.125 0.000 1.017 102 N CA 0.752 53.682 53.050 -0.199 0.000 0.866 102 N CB -0.351 37.987 38.487 -0.249 0.000 0.985 102 N HN 0.170 nan 8.380 nan 0.000 0.429 103 V N 1.183 121.032 119.914 -0.108 0.000 2.295 103 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 103 V C 2.520 178.580 176.094 -0.058 0.000 1.049 103 V CA 1.405 63.667 62.300 -0.063 0.000 1.024 103 V CB -0.415 31.381 31.823 -0.044 0.000 0.648 103 V HN 0.313 nan 8.190 nan 0.000 0.447 104 R N 0.225 120.663 120.500 -0.103 0.000 2.081 104 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 104 R C 2.324 178.568 176.300 -0.093 0.000 1.131 104 R CA 1.796 57.821 56.100 -0.124 0.000 0.960 104 R CB -0.503 29.592 30.300 -0.341 0.000 0.856 104 R HN 0.489 nan 8.270 nan 0.000 0.436 105 A N 1.153 123.900 122.820 -0.122 0.000 1.883 105 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 105 A C 2.140 179.688 177.584 -0.059 0.000 1.186 105 A CA 1.221 53.199 52.037 -0.099 0.000 0.624 105 A CB -0.625 18.309 19.000 -0.110 0.000 0.822 105 A HN 0.330 nan 8.150 nan 0.000 0.444 106 L N -0.422 120.774 121.223 -0.045 0.000 2.046 106 L HA -0.137 4.202 4.340 -0.000 0.000 0.208 106 L C 2.464 179.335 176.870 0.001 0.000 1.077 106 L CA 1.591 56.419 54.840 -0.019 0.000 0.747 106 L CB -0.389 41.662 42.059 -0.013 0.000 0.896 106 L HN 0.425 nan 8.230 nan 0.000 0.432 107 L N -1.551 119.682 121.223 0.016 0.000 2.083 107 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 107 L C 2.583 179.489 176.870 0.060 0.000 1.083 107 L CA 1.182 56.052 54.840 0.049 0.000 0.752 107 L CB -0.525 41.586 42.059 0.086 0.000 0.899 107 L HN 0.365 nan 8.230 nan 0.000 0.433 108 Q N -0.506 119.331 119.800 0.063 0.000 2.050 108 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 108 Q C 2.345 178.325 176.000 -0.033 0.000 0.980 108 Q CA 1.741 57.578 55.803 0.056 0.000 0.840 108 Q CB -0.141 28.622 28.738 0.041 0.000 0.898 108 Q HN 0.513 nan 8.270 nan 0.000 0.424 109 M N -0.294 119.269 119.600 -0.061 0.000 2.117 109 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 109 M C 2.335 178.595 176.300 -0.067 0.000 1.065 109 M CA 1.485 56.728 55.300 -0.096 0.000 1.114 109 M CB -0.300 32.264 32.600 -0.060 0.000 1.361 109 M HN 0.220 nan 8.290 nan 0.000 0.408 110 A N -0.521 122.291 122.820 -0.014 0.000 1.933 110 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 110 A C 2.296 179.879 177.584 -0.001 0.000 1.175 110 A CA 1.648 53.694 52.037 0.016 0.000 0.628 110 A CB -0.994 18.029 19.000 0.038 0.000 0.814 110 A HN 0.340 nan 8.150 nan 0.000 0.444 111 V N -0.369 119.537 119.914 -0.014 0.000 2.427 111 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 111 V C 2.409 178.461 176.094 -0.070 0.000 1.051 111 V CA 2.193 64.476 62.300 -0.028 0.000 1.048 111 V CB -0.238 31.575 31.823 -0.017 0.000 0.666 111 V HN 0.331 nan 8.190 nan 0.000 0.456 112 V N 0.078 119.909 119.914 -0.138 0.000 2.358 112 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 112 V C 2.376 178.381 176.094 -0.148 0.000 1.047 112 V CA 2.244 64.398 62.300 -0.243 0.000 1.035 112 V CB -0.553 30.909 31.823 -0.602 0.000 0.658 112 V HN 0.490 nan 8.190 nan 0.000 0.452 113 L N -0.323 120.821 121.223 -0.131 0.000 2.141 113 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 113 L C 2.613 179.431 176.870 -0.087 0.000 1.094 113 L CA 1.715 56.479 54.840 -0.126 0.000 0.763 113 L CB -0.971 41.040 42.059 -0.079 0.000 0.908 113 L HN 0.348 nan 8.230 nan 0.000 0.437 114 T N -1.282 113.260 114.554 -0.020 0.000 2.708 114 T HA -0.263 4.086 4.350 -0.000 0.000 0.266 114 T C 1.709 176.411 174.700 0.003 0.000 1.037 114 T CA 1.547 63.651 62.100 0.008 0.000 1.146 114 T CB -0.369 68.517 68.868 0.030 0.000 0.865 114 T HN 0.318 nan 8.240 nan 0.000 0.435 115 Y N 1.613 121.860 120.300 -0.089 0.000 2.200 115 Y HA 0.009 4.559 4.550 -0.000 0.000 0.290 115 Y C 2.528 178.386 175.900 -0.070 0.000 1.137 115 Y CA 1.325 59.377 58.100 -0.079 0.000 1.163 115 Y CB -0.647 37.752 38.460 -0.102 0.000 0.988 115 Y HN 0.195 nan 8.280 nan 0.000 0.518 116 G N -0.585 108.216 108.800 0.000 0.000 2.408 116 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 116 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 116 G C 1.707 176.523 174.900 -0.141 0.000 1.150 116 G CA 0.697 45.755 45.100 -0.070 0.000 0.776 116 G HN 0.545 nan 8.290 nan 0.000 0.542 117 A N -0.330 122.400 122.820 -0.150 0.000 2.016 117 A HA 0.362 4.682 4.320 -0.000 0.000 0.217 117 A C 1.754 179.294 177.584 -0.074 0.000 1.162 117 A CA 1.431 53.395 52.037 -0.122 0.000 0.662 117 A CB -0.162 18.745 19.000 -0.155 0.000 0.812 117 A HN 0.769 nan 8.150 nan 0.000 0.450 118 S N -1.569 114.065 115.700 -0.111 0.000 3.698 118 S HA -0.167 4.303 4.470 -0.000 0.000 0.338 118 S C -0.090 174.491 174.600 -0.032 0.000 1.089 118 S CA 1.314 59.452 58.200 -0.104 0.000 0.991 118 S CB -2.352 60.775 63.200 -0.122 0.000 0.909 118 S HN 1.291 nan 8.310 nan 0.000 0.485 119 M N -3.275 116.325 119.600 0.001 0.000 2.643 119 M HA 0.677 5.157 4.480 -0.000 0.000 0.276 119 M C -3.448 172.891 176.300 0.064 0.000 1.200 119 M CA -2.225 53.099 55.300 0.039 0.000 0.863 119 M CB 0.983 33.624 32.600 0.068 0.000 1.711 119 M HN -0.208 nan 8.290 nan 0.000 0.492 120 P HA 0.273 nan 4.420 nan 0.000 0.269 120 P C -1.083 176.291 177.300 0.123 0.000 1.209 120 P CA -0.368 62.779 63.100 0.079 0.000 0.776 120 P CB 0.603 32.342 31.700 0.065 0.000 0.876 121 V N 3.512 123.499 119.914 0.123 0.000 2.417 121 V HA 0.194 4.314 4.120 -0.000 0.000 0.291 121 V C 0.108 176.276 176.094 0.123 0.000 1.024 121 V CA -0.705 61.694 62.300 0.166 0.000 0.861 121 V CB 1.947 33.873 31.823 0.172 0.000 0.985 121 V HN 0.225 nan 8.190 nan 0.000 0.436 122 V N 5.599 125.580 119.914 0.111 0.000 2.461 122 V HA 0.338 4.458 4.120 -0.000 0.000 0.275 122 V C 0.199 176.349 176.094 0.093 0.000 1.047 122 V CA -0.657 61.703 62.300 0.100 0.000 0.955 122 V CB 1.112 32.961 31.823 0.042 0.000 0.988 122 V HN 0.797 nan 8.190 nan 0.000 0.471 123 K N 4.116 124.597 120.400 0.134 0.000 2.316 123 K HA 0.619 4.939 4.320 -0.000 0.000 0.267 123 K C -1.197 175.490 176.600 0.145 0.000 1.025 123 K CA -0.458 55.887 56.287 0.097 0.000 0.896 123 K CB 1.835 34.371 32.500 0.059 0.000 1.124 123 K HN 0.476 nan 8.250 nan 0.000 0.451 124 V N 2.595 122.560 119.914 0.084 0.000 2.378 124 V HA 0.399 4.519 4.120 -0.000 0.000 0.288 124 V C -0.040 176.091 176.094 0.063 0.000 1.016 124 V CA -1.065 61.299 62.300 0.107 0.000 0.840 124 V CB 1.339 33.191 31.823 0.048 0.000 0.994 124 V HN 0.856 nan 8.190 nan 0.000 0.431 125 A N 5.166 128.044 122.820 0.098 0.000 2.363 125 A HA 0.556 4.876 4.320 -0.000 0.000 0.270 125 A C 0.464 178.129 177.584 0.134 0.000 1.121 125 A CA -0.512 51.575 52.037 0.082 0.000 0.800 125 A CB 0.193 19.232 19.000 0.065 0.000 1.052 125 A HN 0.843 nan 8.150 nan 0.000 0.493 126 R N 1.404 121.988 120.500 0.140 0.000 2.441 126 R HA 0.448 4.788 4.340 -0.000 0.000 0.300 126 R C -0.727 175.640 176.300 0.112 0.000 1.284 126 R CA 0.470 56.697 56.100 0.212 0.000 1.069 126 R CB -0.351 30.109 30.300 0.267 0.000 1.087 126 R HN 0.694 nan 8.270 nan 0.000 0.519 127 I N -0.507 120.119 120.570 0.094 0.000 3.021 127 I HA 0.286 4.456 4.170 -0.000 0.000 0.305 127 I C -0.768 175.359 176.117 0.017 0.000 1.434 127 I CA -0.377 60.938 61.300 0.026 0.000 0.969 127 I CB 1.848 39.874 38.000 0.045 0.000 1.328 127 I HN 0.610 nan 8.210 nan 0.000 0.486 128 A N 3.437 126.242 122.820 -0.025 0.000 2.791 128 A HA 0.069 4.389 4.320 -0.000 0.000 0.292 128 A C 0.842 178.421 177.584 -0.008 0.000 1.487 128 A CA 1.477 53.537 52.037 0.038 0.000 0.760 128 A CB -2.269 16.787 19.000 0.093 0.000 1.031 128 A HN 2.200 nan 8.150 nan 0.000 0.503 129 G N -2.251 106.355 108.800 -0.323 0.000 4.106 129 G HA2 0.241 4.201 3.960 -0.000 0.000 0.220 129 G HA3 0.241 4.201 3.960 -0.000 0.000 0.220 129 G C 0.023 174.470 174.900 -0.754 0.000 0.853 129 G CA 0.668 45.463 45.100 -0.509 0.000 0.920 129 G HN 1.245 nan 8.290 nan 0.000 0.715 130 Q N 0.977 120.371 119.800 -0.676 0.000 3.184 130 Q HA 0.522 4.862 4.340 -0.000 0.000 0.288 130 Q C -0.143 175.594 176.000 -0.438 0.000 1.412 130 Q CA -0.269 55.303 55.803 -0.385 0.000 0.991 130 Q CB -0.828 27.823 28.738 -0.146 0.000 1.688 130 Q HN 0.623 nan 8.270 nan 0.000 0.554 131 Y N -0.247 119.939 120.300 -0.191 0.000 2.641 131 Y HA 0.606 5.156 4.550 -0.000 0.000 0.248 131 Y C 0.176 175.927 175.900 -0.248 0.000 1.170 131 Y CA -0.452 57.514 58.100 -0.224 0.000 1.201 131 Y CB 1.125 39.456 38.460 -0.214 0.000 1.232 131 Y HN 0.412 nan 8.280 nan 0.000 0.537 132 A N 1.580 124.341 122.820 -0.099 0.000 2.520 132 A HA 0.776 5.096 4.320 -0.000 0.000 0.298 132 A C -1.240 176.258 177.584 -0.143 0.000 1.051 132 A CA -0.788 51.160 52.037 -0.149 0.000 0.690 132 A CB 1.752 20.678 19.000 -0.123 0.000 1.281 132 A HN 0.189 nan 8.150 nan 0.000 0.402 133 K N 1.424 121.720 120.400 -0.172 0.000 2.532 133 K HA 0.748 5.068 4.320 -0.000 0.000 0.265 133 K C -3.311 173.212 176.600 -0.128 0.000 0.948 133 K CA -1.734 54.477 56.287 -0.127 0.000 0.842 133 K CB 2.719 35.158 32.500 -0.102 0.000 1.392 133 K HN 0.393 nan 8.250 nan 0.000 0.436 134 P HA 0.302 nan 4.420 nan 0.000 0.276 134 P C -1.050 176.218 177.300 -0.054 0.000 1.261 134 P CA -0.653 62.400 63.100 -0.079 0.000 0.800 134 P CB 0.671 32.328 31.700 -0.072 0.000 1.066 135 R N 0.141 120.618 120.500 -0.038 0.000 2.533 135 R HA 0.224 4.564 4.340 -0.000 0.000 0.288 135 R C 1.263 177.559 176.300 -0.007 0.000 1.039 135 R CA -0.402 55.690 56.100 -0.013 0.000 0.909 135 R CB 1.627 31.923 30.300 -0.006 0.000 1.195 135 R HN 0.554 nan 8.270 nan 0.000 0.438 136 S N 0.904 116.606 115.700 0.002 0.000 2.382 136 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 136 S C 1.099 175.702 174.600 0.004 0.000 1.027 136 S CA 0.672 58.874 58.200 0.004 0.000 0.991 136 S CB 0.010 63.217 63.200 0.011 0.000 0.823 136 S HN 0.655 nan 8.310 nan 0.000 0.469 137 A N 1.855 124.680 122.820 0.008 0.000 2.409 137 A HA 0.401 4.721 4.320 -0.000 0.000 0.267 137 A C 0.534 178.121 177.584 0.004 0.000 1.127 137 A CA -0.479 51.562 52.037 0.007 0.000 0.795 137 A CB 0.086 19.092 19.000 0.010 0.000 1.061 137 A HN 0.178 nan 8.150 nan 0.000 0.502 138 D N 1.350 121.750 120.400 -0.000 0.000 2.092 138 D HA -0.053 4.587 4.640 -0.000 0.000 0.193 138 D C 0.281 176.580 176.300 -0.002 0.000 0.994 138 D CA 1.764 55.762 54.000 -0.004 0.000 0.828 138 D CB -0.051 40.744 40.800 -0.009 0.000 0.963 138 D HN 0.616 nan 8.370 nan 0.000 0.450 139 I N 0.901 121.470 120.570 -0.003 0.000 2.466 139 I HA 0.187 4.357 4.170 -0.000 0.000 0.289 139 I C -0.458 175.656 176.117 -0.005 0.000 1.026 139 I CA -1.146 60.151 61.300 -0.005 0.000 1.078 139 I CB 2.059 40.053 38.000 -0.010 0.000 1.249 139 I HN -0.091 nan 8.210 nan 0.000 0.429 140 D N 5.283 125.679 120.400 -0.007 0.000 2.414 140 D HA 0.196 4.836 4.640 -0.000 0.000 0.259 140 D C 1.108 177.394 176.300 -0.024 0.000 1.269 140 D CA -0.450 53.541 54.000 -0.014 0.000 1.028 140 D CB 0.832 41.622 40.800 -0.017 0.000 1.093 140 D HN 0.529 nan 8.370 nan 0.000 0.545 141 A N -0.719 122.082 122.820 -0.033 0.000 2.121 141 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 141 A C 2.088 179.645 177.584 -0.045 0.000 1.154 141 A CA 0.642 52.655 52.037 -0.039 0.000 0.679 141 A CB -0.743 18.229 19.000 -0.048 0.000 0.795 141 A HN 0.537 nan 8.150 nan 0.000 0.458 142 L N -1.632 119.560 121.223 -0.051 0.000 2.607 142 L HA 0.238 4.578 4.340 -0.000 0.000 0.228 142 L C 1.553 178.399 176.870 -0.040 0.000 1.123 142 L CA 0.523 55.331 54.840 -0.053 0.000 0.890 142 L CB 0.024 42.040 42.059 -0.072 0.000 1.103 142 L HN 0.534 nan 8.230 nan 0.000 0.468 143 G N 0.599 109.380 108.800 -0.032 0.000 2.132 143 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.234 143 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.234 143 G C -0.002 174.885 174.900 -0.021 0.000 0.989 143 G CA -0.138 44.947 45.100 -0.024 0.000 0.676 143 G HN 0.211 nan 8.290 nan 0.000 0.522 144 L N -0.285 120.924 121.223 -0.023 0.000 2.334 144 L HA 0.623 4.963 4.340 -0.000 0.000 0.270 144 L C 1.331 178.198 176.870 -0.004 0.000 1.018 144 L CA -1.349 53.481 54.840 -0.016 0.000 0.811 144 L CB 0.926 42.970 42.059 -0.025 0.000 1.271 144 L HN 0.045 nan 8.230 nan 0.000 0.443 145 R N 0.519 121.024 120.500 0.008 0.000 2.640 145 R HA 0.085 4.425 4.340 -0.000 0.000 0.270 145 R C -0.221 176.108 176.300 0.048 0.000 1.024 145 R CA -0.177 55.938 56.100 0.026 0.000 1.085 145 R CB 0.239 30.561 30.300 0.037 0.000 0.963 145 R HN 0.584 nan 8.270 nan 0.000 0.426 146 S N 2.073 117.807 115.700 0.056 0.000 2.572 146 S HA -0.043 4.427 4.470 -0.000 0.000 0.279 146 S C -0.285 174.383 174.600 0.112 0.000 1.341 146 S CA -0.491 57.749 58.200 0.066 0.000 1.043 146 S CB 0.335 63.562 63.200 0.044 0.000 0.887 146 S HN 0.474 nan 8.310 nan 0.000 0.516 147 Y N 2.308 122.597 120.300 -0.019 0.000 2.442 147 Y HA 0.138 4.688 4.550 -0.000 0.000 0.330 147 Y C 1.146 177.043 175.900 -0.006 0.000 1.129 147 Y CA -0.144 57.951 58.100 -0.008 0.000 1.365 147 Y CB 0.383 38.847 38.460 0.006 0.000 1.233 147 Y HN 0.489 nan 8.280 nan 0.000 0.529 148 R N 4.382 124.591 120.500 -0.485 0.000 2.543 148 R HA 0.290 4.630 4.340 -0.000 0.000 0.323 148 R C 0.108 176.028 176.300 -0.634 0.000 1.002 148 R CA 0.313 56.132 56.100 -0.469 0.000 1.106 148 R CB 0.267 30.338 30.300 -0.382 0.000 1.280 148 R HN 0.999 nan 8.270 nan 0.000 0.549 149 G N 1.095 109.149 108.800 -1.244 0.000 2.699 149 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 149 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 149 G C -0.195 174.456 174.900 -0.416 0.000 1.301 149 G CA -0.397 44.210 45.100 -0.821 0.000 0.816 149 G HN 0.058 nan 8.290 nan 0.000 0.595 150 D N -0.050 120.201 120.400 -0.249 0.000 2.310 150 D HA -0.048 4.592 4.640 -0.000 0.000 0.212 150 D C 2.420 178.563 176.300 -0.261 0.000 0.965 150 D CA 1.235 54.997 54.000 -0.395 0.000 0.879 150 D CB -0.004 40.068 40.800 -1.215 0.000 0.921 150 D HN 0.470 nan 8.370 nan 0.000 0.510 151 M N -0.472 119.048 119.600 -0.132 0.000 2.476 151 M HA -0.018 4.462 4.480 -0.000 0.000 0.262 151 M C 1.061 177.445 176.300 0.140 0.000 1.079 151 M CA 1.094 56.419 55.300 0.041 0.000 1.104 151 M CB 0.282 32.866 32.600 -0.026 0.000 1.409 151 M HN -0.022 nan 8.290 nan 0.000 0.467 152 I N -0.672 119.902 120.570 0.007 0.000 3.570 152 I HA 0.094 4.264 4.170 -0.000 0.000 0.270 152 I C 0.287 176.391 176.117 -0.023 0.000 1.162 152 I CA -0.137 61.123 61.300 -0.066 0.000 1.413 152 I CB 0.233 37.973 38.000 -0.433 0.000 1.437 152 I HN 0.318 nan 8.210 nan 0.000 0.457 153 N N 0.538 119.225 118.700 -0.021 0.000 3.344 153 N HA 0.309 5.049 4.740 -0.000 0.000 0.296 153 N C -0.599 175.056 175.510 0.241 0.000 1.571 153 N CA -0.445 52.672 53.050 0.112 0.000 0.844 153 N CB 0.514 39.062 38.487 0.103 0.000 1.718 153 N HN -0.043 nan 8.380 nan 0.000 0.589 154 G N -1.193 107.754 108.800 0.245 0.000 2.389 154 G HA2 0.402 4.362 3.960 -0.000 0.000 0.317 154 G HA3 0.402 4.362 3.960 -0.000 0.000 0.317 154 G C -0.358 174.616 174.900 0.122 0.000 1.137 154 G CA -0.727 44.504 45.100 0.219 0.000 0.870 154 G HN 0.484 nan 8.290 nan 0.000 0.496 155 F N 2.686 122.406 119.950 -0.383 0.000 2.234 155 F HA 0.231 4.758 4.527 -0.000 0.000 0.299 155 F C 1.970 177.559 175.800 -0.351 0.000 1.087 155 F CA 0.644 58.125 58.000 -0.865 0.000 1.340 155 F CB 0.064 38.522 39.000 -0.905 0.000 1.031 155 F HN 0.495 nan 8.300 nan 0.000 0.500 156 A N 2.271 125.029 122.820 -0.103 0.000 2.567 156 A HA 0.134 4.454 4.320 -0.000 0.000 0.240 156 A C -2.118 175.359 177.584 -0.177 0.000 1.053 156 A CA -0.752 51.221 52.037 -0.105 0.000 0.755 156 A CB -0.887 18.111 19.000 -0.004 0.000 0.978 156 A HN 0.235 nan 8.150 nan 0.000 0.507 157 P HA 0.224 nan 4.420 nan 0.000 0.231 157 P C -1.315 175.935 177.300 -0.084 0.000 1.811 157 P CA 0.122 63.123 63.100 -0.165 0.000 1.051 157 P CB -0.543 31.048 31.700 -0.181 0.000 1.951 158 D N -0.622 119.746 120.400 -0.054 0.000 2.602 158 D HA 0.488 5.128 4.640 -0.000 0.000 0.236 158 D C 0.963 177.260 176.300 -0.005 0.000 1.209 158 D CA -1.063 52.922 54.000 -0.025 0.000 0.831 158 D CB 0.778 41.569 40.800 -0.014 0.000 1.478 158 D HN -0.113 nan 8.370 nan 0.000 0.438 159 A N 1.256 124.077 122.820 0.001 0.000 1.883 159 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 159 A C 2.232 179.834 177.584 0.029 0.000 1.186 159 A CA 2.337 54.382 52.037 0.012 0.000 0.624 159 A CB -1.386 17.618 19.000 0.008 0.000 0.822 159 A HN 0.782 nan 8.150 nan 0.000 0.444 160 A N -0.209 122.628 122.820 0.029 0.000 1.877 160 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 160 A C 2.509 180.128 177.584 0.059 0.000 1.186 160 A CA 2.233 54.295 52.037 0.041 0.000 0.620 160 A CB -1.078 17.942 19.000 0.034 0.000 0.822 160 A HN 1.171 nan 8.150 nan 0.000 0.443 161 A N -0.971 121.881 122.820 0.053 0.000 2.019 161 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 161 A C 2.087 179.732 177.584 0.102 0.000 1.164 161 A CA 1.353 53.432 52.037 0.071 0.000 0.644 161 A CB -0.331 18.697 19.000 0.046 0.000 0.805 161 A HN 0.366 nan 8.150 nan 0.000 0.449 162 R N 0.229 120.785 120.500 0.094 0.000 2.297 162 R HA 0.115 4.455 4.340 -0.000 0.000 0.197 162 R C -0.262 176.150 176.300 0.188 0.000 0.943 162 R CA 0.075 56.253 56.100 0.129 0.000 1.038 162 R CB -0.138 30.214 30.300 0.087 0.000 0.957 162 R HN 0.467 nan 8.270 nan 0.000 0.484 163 E N 1.139 121.436 120.200 0.161 0.000 2.383 163 E HA 0.025 4.375 4.350 -0.000 0.000 0.264 163 E C -0.188 176.600 176.600 0.313 0.000 1.050 163 E CA 0.145 56.659 56.400 0.190 0.000 0.896 163 E CB 0.444 30.215 29.700 0.120 0.000 0.982 163 E HN 0.250 nan 8.360 nan 0.000 0.424 164 H N 1.711 120.846 119.070 0.108 0.000 2.819 164 H HA 0.064 4.620 4.556 -0.000 0.000 0.303 164 H C -0.385 175.179 175.328 0.393 0.000 1.058 164 H CA -0.210 55.947 56.048 0.181 0.000 1.471 164 H CB 0.709 30.469 29.762 -0.003 0.000 1.480 164 H HN 0.201 nan 8.280 nan 0.000 0.517 165 D N 5.752 126.485 120.400 0.556 0.000 2.462 165 D HA 0.120 4.760 4.640 -0.000 0.000 0.245 165 D C -1.787 174.632 176.300 0.198 0.000 1.122 165 D CA -2.621 51.582 54.000 0.338 0.000 0.864 165 D CB 1.664 42.587 40.800 0.205 0.000 1.098 165 D HN 0.243 nan 8.370 nan 0.000 0.541 166 P HA -0.121 nan 4.420 nan 0.000 0.225 166 P C 1.139 178.172 177.300 -0.445 0.000 1.148 166 P CA 0.616 63.153 63.100 -0.940 0.000 0.779 166 P CB 0.112 31.216 31.700 -0.993 0.000 0.780 167 S N 0.010 115.598 115.700 -0.188 0.000 2.447 167 S HA -0.087 4.382 4.470 -0.000 0.000 0.233 167 S C 1.994 176.560 174.600 -0.057 0.000 1.006 167 S CA 0.449 58.586 58.200 -0.104 0.000 0.957 167 S CB -0.928 62.242 63.200 -0.051 0.000 0.773 167 S HN 0.113 nan 8.310 nan 0.000 0.507 168 R N 0.590 121.087 120.500 -0.004 0.000 2.237 168 R HA 0.191 4.531 4.340 -0.000 0.000 0.219 168 R C 2.004 178.345 176.300 0.068 0.000 1.080 168 R CA 0.916 57.069 56.100 0.088 0.000 0.995 168 R CB -0.589 29.837 30.300 0.210 0.000 0.875 168 R HN 0.442 nan 8.270 nan 0.000 0.462 169 L N -0.207 121.015 121.223 -0.001 0.000 2.012 169 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 169 L C 2.203 179.153 176.870 0.134 0.000 1.073 169 L CA 1.220 56.109 54.840 0.082 0.000 0.748 169 L CB -0.422 41.646 42.059 0.015 0.000 0.891 169 L HN 0.032 nan 8.230 nan 0.000 0.431 170 V N -0.547 119.392 119.914 0.042 0.000 2.453 170 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 170 V C 2.583 178.695 176.094 0.030 0.000 1.048 170 V CA 1.480 63.819 62.300 0.065 0.000 1.049 170 V CB -0.589 31.233 31.823 -0.002 0.000 0.672 170 V HN 0.410 nan 8.190 nan 0.000 0.457 171 R N 0.228 120.669 120.500 -0.099 0.000 2.115 171 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 171 R C 2.267 178.223 176.300 -0.573 0.000 1.111 171 R CA 1.408 57.307 56.100 -0.334 0.000 0.976 171 R CB -0.316 29.757 30.300 -0.378 0.000 0.870 171 R HN 0.491 nan 8.270 nan 0.000 0.445 172 A N 0.116 122.758 122.820 -0.297 0.000 1.898 172 A HA -0.217 4.102 4.320 -0.000 0.000 0.216 172 A C 1.951 179.515 177.584 -0.034 0.000 1.181 172 A CA 1.270 53.163 52.037 -0.239 0.000 0.620 172 A CB -0.834 18.098 19.000 -0.113 0.000 0.819 172 A HN 0.597 nan 8.150 nan 0.000 0.442 173 Y N 0.814 121.162 120.300 0.080 0.000 2.097 173 Y HA -0.126 4.424 4.550 -0.000 0.000 0.282 173 Y C 2.623 178.545 175.900 0.037 0.000 1.152 173 Y CA 1.450 59.648 58.100 0.164 0.000 1.136 173 Y CB -0.743 37.808 38.460 0.151 0.000 0.975 173 Y HN 0.302 nan 8.280 nan 0.000 0.498 174 A N 0.973 123.635 122.820 -0.264 0.000 1.892 174 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 174 A C 2.199 179.601 177.584 -0.304 0.000 1.188 174 A CA 2.157 53.996 52.037 -0.329 0.000 0.631 174 A CB -1.042 17.853 19.000 -0.174 0.000 0.822 174 A HN 0.702 nan 8.150 nan 0.000 0.447 175 N N -0.016 118.508 118.700 -0.294 0.000 2.120 175 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 175 N C 2.011 177.531 175.510 0.016 0.000 1.024 175 N CA 1.393 54.346 53.050 -0.161 0.000 0.852 175 N CB -0.341 37.984 38.487 -0.270 0.000 1.003 175 N HN 0.500 nan 8.380 nan 0.000 0.424 176 A N 0.591 123.440 122.820 0.048 0.000 1.877 176 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 176 A C 2.554 180.115 177.584 -0.039 0.000 1.186 176 A CA 1.523 53.625 52.037 0.109 0.000 0.620 176 A CB -0.789 18.322 19.000 0.185 0.000 0.822 176 A HN 0.209 nan 8.150 nan 0.000 0.443 177 S N -0.666 114.886 115.700 -0.246 0.000 2.370 177 S HA -0.068 4.402 4.470 -0.000 0.000 0.226 177 S C 2.254 176.782 174.600 -0.121 0.000 1.033 177 S CA 1.368 59.417 58.200 -0.251 0.000 1.011 177 S CB -0.389 62.507 63.200 -0.507 0.000 0.852 177 S HN 0.781 nan 8.310 nan 0.000 0.457 178 A N 1.044 123.797 122.820 -0.113 0.000 1.898 178 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 178 A C 2.321 179.899 177.584 -0.010 0.000 1.181 178 A CA 1.642 53.647 52.037 -0.054 0.000 0.620 178 A CB -1.051 17.915 19.000 -0.056 0.000 0.819 178 A HN 0.539 nan 8.150 nan 0.000 0.442 179 A N -0.900 121.930 122.820 0.017 0.000 1.877 179 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 179 A C 2.187 179.793 177.584 0.036 0.000 1.186 179 A CA 2.249 54.314 52.037 0.047 0.000 0.620 179 A CB -0.523 18.530 19.000 0.090 0.000 0.822 179 A HN 0.504 nan 8.150 nan 0.000 0.443 180 M N 0.399 120.019 119.600 0.034 0.000 2.108 180 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 180 M C 1.780 178.097 176.300 0.029 0.000 1.066 180 M CA 2.170 57.495 55.300 0.042 0.000 1.107 180 M CB -0.796 31.833 32.600 0.048 0.000 1.356 180 M HN 0.546 nan 8.290 nan 0.000 0.406 181 N N -0.162 118.546 118.700 0.012 0.000 2.060 181 N HA -0.216 4.524 4.740 -0.000 0.000 0.195 181 N C 1.527 177.044 175.510 0.011 0.000 1.028 181 N CA 1.915 54.970 53.050 0.009 0.000 0.861 181 N CB -0.438 38.047 38.487 -0.002 0.000 1.029 181 N HN 0.392 nan 8.380 nan 0.000 0.428 182 L N -0.033 121.197 121.223 0.012 0.000 2.056 182 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 182 L C 2.091 178.968 176.870 0.012 0.000 1.078 182 L CA 1.227 56.074 54.840 0.013 0.000 0.749 182 L CB -0.669 41.399 42.059 0.015 0.000 0.901 182 L HN 0.091 nan 8.230 nan 0.000 0.433 183 V N -0.075 119.848 119.914 0.015 0.000 2.332 183 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 183 V C 2.709 178.805 176.094 0.003 0.000 1.055 183 V CA 2.114 64.420 62.300 0.010 0.000 1.038 183 V CB -0.700 31.135 31.823 0.021 0.000 0.651 183 V HN 0.460 nan 8.190 nan 0.000 0.450 184 R N 0.167 120.672 120.500 0.008 0.000 2.073 184 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 184 R C 2.477 178.778 176.300 0.001 0.000 1.134 184 R CA 1.506 57.606 56.100 0.001 0.000 0.952 184 R CB -0.672 29.635 30.300 0.011 0.000 0.850 184 R HN 0.529 nan 8.270 nan 0.000 0.433 185 A N 1.263 124.087 122.820 0.007 0.000 1.902 185 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 185 A C 2.179 179.770 177.584 0.012 0.000 1.181 185 A CA 1.228 53.270 52.037 0.009 0.000 0.623 185 A CB -0.537 18.470 19.000 0.011 0.000 0.818 185 A HN 0.185 nan 8.150 nan 0.000 0.443 186 L N -0.153 121.077 121.223 0.012 0.000 2.156 186 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 186 L C 2.767 179.649 176.870 0.021 0.000 1.095 186 L CA 1.675 56.527 54.840 0.019 0.000 0.770 186 L CB -0.702 41.364 42.059 0.013 0.000 0.914 186 L HN 0.639 nan 8.230 nan 0.000 0.439 187 T N -4.322 110.235 114.554 0.005 0.000 3.085 187 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 187 T C 1.470 176.170 174.700 -0.001 0.000 1.127 187 T CA 0.749 62.847 62.100 -0.003 0.000 1.103 187 T CB -0.173 68.675 68.868 -0.033 0.000 0.921 187 T HN 0.344 nan 8.240 nan 0.000 0.510 188 S N 0.911 116.613 115.700 0.003 0.000 2.574 188 S HA 0.402 4.872 4.470 -0.000 0.000 0.242 188 S C 0.779 175.388 174.600 0.016 0.000 0.982 188 S CA -0.352 57.851 58.200 0.006 0.000 0.977 188 S CB -0.183 63.017 63.200 0.001 0.000 0.814 188 S HN 0.651 nan 8.310 nan 0.000 0.464 189 S N 0.475 116.190 115.700 0.026 0.000 2.667 189 S HA 0.724 5.194 4.470 -0.000 0.000 0.292 189 S C 1.513 176.140 174.600 0.045 0.000 1.108 189 S CA -0.072 58.149 58.200 0.035 0.000 0.992 189 S CB 0.197 63.423 63.200 0.042 0.000 1.269 189 S HN 0.239 nan 8.310 nan 0.000 0.528 190 G N 0.247 109.080 108.800 0.056 0.000 2.462 190 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.220 190 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.220 190 G C 1.258 176.207 174.900 0.082 0.000 1.121 190 G CA 0.750 45.884 45.100 0.058 0.000 0.758 190 G HN 0.599 nan 8.290 nan 0.000 0.559 191 L N 0.550 121.853 121.223 0.133 0.000 2.261 191 L HA -0.097 4.243 4.340 -0.000 0.000 0.216 191 L C 3.315 180.255 176.870 0.116 0.000 1.114 191 L CA 0.700 55.654 54.840 0.190 0.000 0.777 191 L CB -0.413 41.759 42.059 0.189 0.000 0.910 191 L HN 0.310 nan 8.230 nan 0.000 0.440 192 A N -0.567 122.294 122.820 0.069 0.000 1.986 192 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 192 A C 1.682 179.289 177.584 0.039 0.000 1.171 192 A CA 1.220 53.283 52.037 0.044 0.000 0.640 192 A CB -0.476 18.541 19.000 0.027 0.000 0.811 192 A HN 0.339 nan 8.150 nan 0.000 0.451 193 S N 0.109 115.828 115.700 0.032 0.000 2.506 193 S HA 0.217 4.686 4.470 -0.000 0.000 0.291 193 S C 1.137 175.750 174.600 0.021 0.000 1.230 193 S CA -0.559 57.654 58.200 0.022 0.000 1.107 193 S CB -0.132 63.068 63.200 -0.000 0.000 0.942 193 S HN 0.254 nan 8.310 nan 0.000 0.502 194 L N 5.765 127.004 121.223 0.026 0.000 2.043 194 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 194 L C 2.450 179.311 176.870 -0.016 0.000 1.075 194 L CA 1.916 56.757 54.840 0.000 0.000 0.752 194 L CB -1.172 40.869 42.059 -0.030 0.000 0.891 194 L HN 0.802 nan 8.230 nan 0.000 0.432 195 H N -1.338 117.717 119.070 -0.025 0.000 2.357 195 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 195 H C 2.268 177.526 175.328 -0.116 0.000 1.082 195 H CA 1.315 57.343 56.048 -0.033 0.000 1.342 195 H CB 0.078 29.817 29.762 -0.040 0.000 1.389 195 H HN 0.211 nan 8.280 nan 0.000 0.511 196 L N 0.675 121.856 121.223 -0.071 0.000 2.017 196 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 196 L C 2.343 178.834 176.870 -0.631 0.000 1.073 196 L CA 1.123 55.735 54.840 -0.379 0.000 0.745 196 L CB -0.426 41.414 42.059 -0.365 0.000 0.894 196 L HN 0.061 nan 8.230 nan 0.000 0.432 197 V N -0.670 119.085 119.914 -0.264 0.000 2.407 197 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 197 V C 2.352 178.522 176.094 0.126 0.000 1.055 197 V CA 2.085 64.412 62.300 0.045 0.000 1.049 197 V CB -0.921 31.009 31.823 0.178 0.000 0.662 197 V HN 0.569 nan 8.190 nan 0.000 0.455 198 H N -0.092 118.952 119.070 -0.042 0.000 2.535 198 H HA -0.022 4.534 4.556 -0.000 0.000 0.273 198 H C 1.875 177.213 175.328 0.016 0.000 0.983 198 H CA 0.897 56.946 56.048 0.002 0.000 1.238 198 H CB -0.047 29.680 29.762 -0.059 0.000 1.412 198 H HN 0.355 nan 8.280 nan 0.000 0.562 199 D N -0.464 119.867 120.400 -0.115 0.000 2.178 199 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 199 D C 1.513 177.755 176.300 -0.096 0.000 0.980 199 D CA 0.684 54.585 54.000 -0.164 0.000 0.842 199 D CB -0.222 40.422 40.800 -0.259 0.000 0.948 199 D HN 0.507 nan 8.370 nan 0.000 0.472 200 W N 1.287 122.590 121.300 0.005 0.000 2.436 200 W HA 0.015 4.675 4.660 -0.000 0.000 0.284 200 W C 1.853 178.395 176.519 0.038 0.000 1.225 200 W CA 0.193 57.551 57.345 0.022 0.000 1.271 200 W CB -0.920 28.554 29.460 0.023 0.000 1.114 200 W HN 0.027 nan 8.180 nan 0.000 0.559 201 N N 0.352 119.166 118.700 0.190 0.000 2.244 201 N HA -0.122 4.617 4.740 -0.000 0.000 0.183 201 N C 1.718 177.320 175.510 0.154 0.000 1.016 201 N CA 1.166 54.316 53.050 0.167 0.000 0.866 201 N CB -0.532 37.980 38.487 0.043 0.000 0.980 201 N HN 0.241 nan 8.380 nan 0.000 0.430 202 R N 0.232 120.699 120.500 -0.055 0.000 2.200 202 R HA 0.015 4.354 4.340 -0.000 0.000 0.208 202 R C 1.615 177.935 176.300 0.034 0.000 1.033 202 R CA 0.423 56.506 56.100 -0.028 0.000 1.000 202 R CB 0.070 30.316 30.300 -0.090 0.000 0.906 202 R HN 0.135 nan 8.270 nan 0.000 0.462 203 E N 0.890 121.144 120.200 0.091 0.000 2.150 203 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 203 E C 1.436 178.109 176.600 0.121 0.000 0.985 203 E CA 0.986 57.451 56.400 0.108 0.000 0.814 203 E CB -0.212 29.591 29.700 0.172 0.000 0.752 203 E HN 0.259 nan 8.360 nan 0.000 0.466 204 F N 0.006 119.985 119.950 0.050 0.000 2.102 204 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 204 F C 1.904 177.708 175.800 0.006 0.000 1.105 204 F CA 1.452 59.473 58.000 0.034 0.000 1.239 204 F CB -0.586 38.449 39.000 0.058 0.000 0.991 204 F HN -0.065 nan 8.300 nan 0.000 0.474 205 V N 1.168 120.912 119.914 -0.284 0.000 2.407 205 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 205 V C 2.672 178.608 176.094 -0.263 0.000 1.055 205 V CA 2.277 64.351 62.300 -0.378 0.000 1.049 205 V CB -0.817 30.921 31.823 -0.141 0.000 0.662 205 V HN 0.350 nan 8.190 nan 0.000 0.455 206 R N 0.199 120.613 120.500 -0.143 0.000 2.092 206 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 206 R C 2.268 178.503 176.300 -0.109 0.000 1.119 206 R CA 1.964 58.006 56.100 -0.097 0.000 0.970 206 R CB -0.200 30.074 30.300 -0.042 0.000 0.864 206 R HN 0.706 nan 8.270 nan 0.000 0.440 207 T N -3.133 111.348 114.554 -0.121 0.000 3.040 207 T HA 0.127 4.477 4.350 -0.000 0.000 0.250 207 T C 0.707 175.323 174.700 -0.141 0.000 1.058 207 T CA -0.246 61.797 62.100 -0.095 0.000 0.988 207 T CB 0.420 69.268 68.868 -0.034 0.000 0.993 207 T HN -0.005 nan 8.240 nan 0.000 0.519 208 S N 2.226 117.757 115.700 -0.281 0.000 2.580 208 S HA 0.339 4.809 4.470 -0.000 0.000 0.274 208 S C -1.489 172.995 174.600 -0.194 0.000 1.329 208 S CA -1.315 56.707 58.200 -0.296 0.000 1.036 208 S CB 1.057 63.860 63.200 -0.661 0.000 0.919 208 S HN 0.090 nan 8.310 nan 0.000 0.515 209 P HA 0.105 nan 4.420 nan 0.000 0.219 209 P C 0.466 177.702 177.300 -0.107 0.000 1.150 209 P CA 0.785 63.828 63.100 -0.096 0.000 0.814 209 P CB 0.054 31.715 31.700 -0.065 0.000 0.787 210 A N -0.484 122.272 122.820 -0.106 0.000 2.370 210 A HA 0.379 4.699 4.320 -0.000 0.000 0.238 210 A C 2.119 179.585 177.584 -0.197 0.000 1.289 210 A CA 0.461 52.425 52.037 -0.121 0.000 0.885 210 A CB -1.324 17.659 19.000 -0.028 0.000 0.961 210 A HN 0.201 nan 8.150 nan 0.000 0.499 211 G N 0.372 109.043 108.800 -0.215 0.000 2.469 211 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 211 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 211 G C 1.632 176.399 174.900 -0.222 0.000 1.136 211 G CA 1.204 46.155 45.100 -0.248 0.000 0.759 211 G HN 0.772 nan 8.290 nan 0.000 0.562 212 A N 0.556 123.254 122.820 -0.204 0.000 2.024 212 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 212 A C 2.304 179.736 177.584 -0.253 0.000 1.164 212 A CA 2.075 54.002 52.037 -0.183 0.000 0.643 212 A CB -0.357 18.558 19.000 -0.142 0.000 0.806 212 A HN 0.335 nan 8.150 nan 0.000 0.451 213 R N -1.383 118.862 120.500 -0.425 0.000 2.148 213 R HA -0.090 4.250 4.340 -0.000 0.000 0.227 213 R C 0.653 176.527 176.300 -0.710 0.000 1.103 213 R CA 1.621 57.333 56.100 -0.647 0.000 0.983 213 R CB -0.481 29.225 30.300 -0.991 0.000 0.874 213 R HN 0.599 nan 8.270 nan 0.000 0.451 214 Y N -0.917 119.259 120.300 -0.207 0.000 2.500 214 Y HA 0.359 4.909 4.550 -0.000 0.000 0.246 214 Y C 1.671 177.406 175.900 -0.276 0.000 1.146 214 Y CA -0.602 57.280 58.100 -0.364 0.000 1.230 214 Y CB 0.152 38.135 38.460 -0.794 0.000 1.214 214 Y HN 0.072 nan 8.280 nan 0.000 0.526 215 E N 1.186 121.335 120.200 -0.086 0.000 2.047 215 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 215 E C 2.253 178.861 176.600 0.013 0.000 0.987 215 E CA 1.077 57.451 56.400 -0.043 0.000 0.799 215 E CB 0.144 29.805 29.700 -0.066 0.000 0.752 215 E HN 0.414 nan 8.360 nan 0.000 0.449 216 A N 1.400 124.225 122.820 0.010 0.000 1.883 216 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 216 A C 2.187 179.818 177.584 0.079 0.000 1.186 216 A CA 1.546 53.604 52.037 0.035 0.000 0.624 216 A CB -0.716 18.299 19.000 0.026 0.000 0.822 216 A HN 0.335 nan 8.150 nan 0.000 0.444 217 L N -0.487 120.817 121.223 0.135 0.000 2.093 217 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 217 L C 2.646 179.667 176.870 0.253 0.000 1.085 217 L CA 2.027 56.997 54.840 0.217 0.000 0.755 217 L CB -0.881 41.397 42.059 0.364 0.000 0.904 217 L HN 0.345 nan 8.230 nan 0.000 0.435 218 A N -1.526 121.498 122.820 0.339 0.000 1.902 218 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 218 A C 2.241 179.995 177.584 0.283 0.000 1.181 218 A CA 2.239 54.529 52.037 0.423 0.000 0.623 218 A CB -1.151 18.031 19.000 0.303 0.000 0.818 218 A HN 0.493 nan 8.150 nan 0.000 0.443 219 T N -0.632 114.006 114.554 0.139 0.000 2.821 219 T HA -0.121 4.228 4.350 -0.000 0.000 0.267 219 T C 1.831 176.542 174.700 0.019 0.000 1.046 219 T CA 1.421 63.570 62.100 0.081 0.000 1.139 219 T CB -0.165 68.732 68.868 0.048 0.000 0.871 219 T HN 0.652 nan 8.240 nan 0.000 0.454 220 E N 0.452 120.635 120.200 -0.028 0.000 2.072 220 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 220 E C 2.141 178.511 176.600 -0.383 0.000 0.985 220 E CA 0.797 57.121 56.400 -0.127 0.000 0.801 220 E CB -0.152 29.506 29.700 -0.069 0.000 0.750 220 E HN 0.478 nan 8.360 nan 0.000 0.452 221 I N 1.027 121.265 120.570 -0.553 0.000 2.226 221 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 221 I C 2.272 178.093 176.117 -0.493 0.000 1.100 221 I CA 1.441 62.251 61.300 -0.816 0.000 1.374 221 I CB -0.263 37.244 38.000 -0.821 0.000 1.057 221 I HN 0.140 nan 8.210 nan 0.000 0.413 222 D N 0.829 121.097 120.400 -0.220 0.000 2.144 222 D HA -0.192 4.448 4.640 -0.000 0.000 0.199 222 D C 2.316 178.608 176.300 -0.013 0.000 0.984 222 D CA 1.431 55.414 54.000 -0.029 0.000 0.834 222 D CB 0.069 40.965 40.800 0.159 0.000 0.955 222 D HN 0.108 nan 8.370 nan 0.000 0.465 223 R N -0.712 119.776 120.500 -0.021 0.000 2.115 223 R HA 0.054 4.394 4.340 -0.000 0.000 0.230 223 R C 2.406 178.742 176.300 0.061 0.000 1.111 223 R CA 1.134 57.250 56.100 0.026 0.000 0.976 223 R CB -0.311 29.993 30.300 0.006 0.000 0.870 223 R HN 0.228 nan 8.270 nan 0.000 0.445 224 G N 0.589 109.390 108.800 0.003 0.000 2.408 224 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 224 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 224 G C 1.358 176.334 174.900 0.127 0.000 1.150 224 G CA 0.334 45.506 45.100 0.120 0.000 0.776 224 G HN 0.128 nan 8.290 nan 0.000 0.542 225 L N -0.405 120.796 121.223 -0.037 0.000 2.056 225 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 225 L C 3.134 180.070 176.870 0.109 0.000 1.078 225 L CA 0.920 55.693 54.840 -0.112 0.000 0.749 225 L CB -0.254 41.466 42.059 -0.565 0.000 0.901 225 L HN 0.105 nan 8.230 nan 0.000 0.433 226 R N -0.885 119.728 120.500 0.188 0.000 2.092 226 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 226 R C 2.224 178.647 176.300 0.205 0.000 1.119 226 R CA 1.447 57.693 56.100 0.243 0.000 0.970 226 R CB -0.420 29.999 30.300 0.199 0.000 0.864 226 R HN 0.225 nan 8.270 nan 0.000 0.440 227 F N 1.121 121.104 119.950 0.056 0.000 2.102 227 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 227 F C 2.405 178.231 175.800 0.043 0.000 1.105 227 F CA 1.577 59.604 58.000 0.044 0.000 1.239 227 F CB -0.078 38.947 39.000 0.041 0.000 0.991 227 F HN -0.065 nan 8.300 nan 0.000 0.474 228 M N -0.464 119.127 119.600 -0.016 0.000 2.082 228 M HA -0.275 4.205 4.480 -0.000 0.000 0.258 228 M C 2.538 178.778 176.300 -0.099 0.000 1.069 228 M CA 2.240 57.475 55.300 -0.109 0.000 1.102 228 M CB -0.431 32.180 32.600 0.018 0.000 1.336 228 M HN 0.282 nan 8.290 nan 0.000 0.404 229 S N -0.196 115.506 115.700 0.003 0.000 2.368 229 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 229 S C 1.889 176.465 174.600 -0.040 0.000 1.030 229 S CA 1.400 59.605 58.200 0.010 0.000 0.999 229 S CB -0.391 62.856 63.200 0.078 0.000 0.844 229 S HN 0.645 nan 8.310 nan 0.000 0.459 230 A N -0.226 122.562 122.820 -0.053 0.000 2.015 230 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 230 A C 2.195 179.697 177.584 -0.136 0.000 1.163 230 A CA 1.379 53.377 52.037 -0.065 0.000 0.646 230 A CB -1.022 17.973 19.000 -0.008 0.000 0.806 230 A HN 0.706 nan 8.150 nan 0.000 0.448 231 C N -1.259 117.892 119.300 -0.247 0.000 2.576 231 C HA 0.436 4.896 4.460 -0.000 0.000 0.267 231 C C 2.005 176.913 174.990 -0.138 0.000 1.364 231 C CA 0.317 59.187 59.018 -0.247 0.000 1.723 231 C CB -1.141 26.363 27.740 -0.393 0.000 1.778 231 C HN 1.021 nan 8.230 nan 0.000 0.572 232 G N 0.084 108.825 108.800 -0.098 0.000 2.176 232 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.232 232 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.232 232 G C 0.167 175.038 174.900 -0.049 0.000 0.986 232 G CA 0.283 45.346 45.100 -0.061 0.000 0.643 232 G HN 0.337 nan 8.290 nan 0.000 0.522 242 E N 0.700 120.833 120.200 -0.112 0.000 2.218 242 E HA 0.617 4.967 4.350 -0.000 0.000 0.263 242 E C -1.101 175.315 176.600 -0.307 0.000 0.879 242 E CA -0.407 55.834 56.400 -0.265 0.000 0.762 242 E CB 2.373 31.878 29.700 -0.325 0.000 1.166 242 E HN 0.524 nan 8.360 nan 0.000 0.415 243 I N 3.521 123.885 120.570 -0.343 0.000 2.418 243 I HA 0.323 4.493 4.170 -0.000 0.000 0.287 243 I C -0.893 175.038 176.117 -0.311 0.000 1.008 243 I CA -0.869 60.295 61.300 -0.226 0.000 1.104 243 I CB 0.848 38.800 38.000 -0.080 0.000 1.264 243 I HN 0.452 nan 8.210 nan 0.000 0.438 244 Y N 3.961 124.224 120.300 -0.061 0.000 2.354 244 Y HA 0.610 5.160 4.550 -0.000 0.000 0.322 244 Y C 0.687 176.670 175.900 0.138 0.000 1.253 244 Y CA -0.530 57.523 58.100 -0.080 0.000 1.272 244 Y CB 1.267 39.623 38.460 -0.173 0.000 1.255 244 Y HN 0.568 nan 8.280 nan 0.000 0.500 245 A N 1.578 124.730 122.820 0.553 0.000 2.306 245 A HA 0.745 5.064 4.320 -0.000 0.000 0.314 245 A C -0.447 177.339 177.584 0.336 0.000 1.164 245 A CA -0.223 52.038 52.037 0.373 0.000 0.822 245 A CB 0.402 19.592 19.000 0.316 0.000 1.130 245 A HN 0.754 nan 8.150 nan 0.000 0.496 246 S N 1.390 117.255 115.700 0.275 0.000 2.579 246 S HA 0.879 5.349 4.470 -0.000 0.000 0.272 246 S C -0.892 173.858 174.600 0.250 0.000 1.141 246 S CA -0.605 57.741 58.200 0.244 0.000 0.843 246 S CB 1.620 65.005 63.200 0.308 0.000 1.122 246 S HN 1.521 nan 8.310 nan 0.000 0.468 247 H N -0.515 118.507 119.070 -0.080 0.000 2.981 247 H HA 0.477 5.033 4.556 -0.000 0.000 0.327 247 H C -1.347 173.280 175.328 -1.169 0.000 1.342 247 H CA -0.607 55.156 56.048 -0.476 0.000 1.123 247 H CB 1.075 30.683 29.762 -0.256 0.000 1.851 247 H HN 0.834 nan 8.280 nan 0.000 0.531 248 E N 1.104 120.408 120.200 -1.494 0.000 2.328 248 E HA 0.339 4.689 4.350 -0.000 0.000 0.265 248 E C -0.265 176.025 176.600 -0.516 0.000 1.057 248 E CA -0.365 55.204 56.400 -1.386 0.000 0.916 248 E CB 0.335 29.503 29.700 -0.887 0.000 0.993 248 E HN 0.603 nan 8.360 nan 0.000 0.446 249 A N 6.680 129.237 122.820 -0.438 0.000 2.541 249 A HA 0.028 4.348 4.320 -0.000 0.000 0.293 249 A C 0.449 178.013 177.584 -0.033 0.000 1.307 249 A CA -0.102 51.851 52.037 -0.139 0.000 0.978 249 A CB 0.025 18.981 19.000 -0.072 0.000 1.111 249 A HN 0.794 nan 8.150 nan 0.000 0.535 250 L N 3.327 124.553 121.223 0.005 0.000 2.588 250 L HA 0.245 4.585 4.340 -0.000 0.000 0.194 250 L C 0.256 177.211 176.870 0.141 0.000 1.070 250 L CA 1.036 55.901 54.840 0.043 0.000 0.852 250 L CB 0.130 42.145 42.059 -0.072 0.000 1.199 250 L HN 0.333 nan 8.230 nan 0.000 0.486 251 V N 2.982 122.933 119.914 0.062 0.000 2.356 251 V HA 0.102 4.222 4.120 -0.000 0.000 0.258 251 V C 1.647 177.769 176.094 0.048 0.000 1.065 251 V CA -0.012 62.329 62.300 0.069 0.000 0.935 251 V CB 1.069 32.955 31.823 0.106 0.000 1.061 251 V HN 0.303 nan 8.190 nan 0.000 0.484 252 L N 2.013 123.200 121.223 -0.060 0.000 2.201 252 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 252 L C 2.013 178.843 176.870 -0.067 0.000 1.105 252 L CA 0.922 55.633 54.840 -0.215 0.000 0.775 252 L CB -0.234 41.635 42.059 -0.317 0.000 0.913 252 L HN 0.597 nan 8.230 nan 0.000 0.440 253 D N -0.453 119.997 120.400 0.085 0.000 2.149 253 D HA -0.250 4.390 4.640 -0.000 0.000 0.198 253 D C 1.870 178.254 176.300 0.139 0.000 0.990 253 D CA 1.455 55.539 54.000 0.140 0.000 0.839 253 D CB -0.066 40.898 40.800 0.274 0.000 0.948 253 D HN 0.320 nan 8.370 nan 0.000 0.460 254 Y N 1.860 122.197 120.300 0.062 0.000 2.153 254 Y HA -0.145 4.405 4.550 -0.000 0.000 0.289 254 Y C 2.180 178.108 175.900 0.047 0.000 1.127 254 Y CA 1.360 59.497 58.100 0.062 0.000 1.131 254 Y CB 0.099 38.617 38.460 0.096 0.000 0.995 254 Y HN -0.182 nan 8.280 nan 0.000 0.505 255 E N 0.629 120.863 120.200 0.057 0.000 2.106 255 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 255 E C 2.248 178.885 176.600 0.062 0.000 0.984 255 E CA 1.563 57.952 56.400 -0.018 0.000 0.806 255 E CB -0.430 29.097 29.700 -0.288 0.000 0.750 255 E HN 0.683 nan 8.360 nan 0.000 0.458 256 R N 0.754 121.262 120.500 0.013 0.000 2.119 256 R HA 0.157 4.497 4.340 -0.000 0.000 0.222 256 R C 2.149 178.484 176.300 0.058 0.000 1.088 256 R CA 1.158 57.351 56.100 0.156 0.000 0.984 256 R CB -0.403 29.971 30.300 0.123 0.000 0.884 256 R HN 0.038 nan 8.270 nan 0.000 0.447 257 A N 1.312 124.117 122.820 -0.025 0.000 2.067 257 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 257 A C 1.875 179.389 177.584 -0.116 0.000 1.158 257 A CA 0.936 52.926 52.037 -0.077 0.000 0.661 257 A CB -0.146 18.787 19.000 -0.112 0.000 0.801 257 A HN 0.249 nan 8.150 nan 0.000 0.452 258 M N -0.264 119.258 119.600 -0.129 0.000 2.431 258 M HA 0.314 4.794 4.480 -0.000 0.000 0.237 258 M C 0.019 176.319 176.300 -0.000 0.000 1.130 258 M CA -0.005 55.224 55.300 -0.117 0.000 1.002 258 M CB -0.868 31.608 32.600 -0.206 0.000 1.524 258 M HN 0.211 nan 8.290 nan 0.000 0.482 259 L N 1.960 123.210 121.223 0.045 0.000 2.453 259 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 259 L C 0.477 177.373 176.870 0.044 0.000 1.182 259 L CA 0.256 55.138 54.840 0.069 0.000 0.858 259 L CB 0.212 42.314 42.059 0.072 0.000 1.120 259 L HN 0.123 nan 8.230 nan 0.000 0.474 260 R N 2.666 123.210 120.500 0.073 0.000 2.808 260 R HA 0.503 4.843 4.340 -0.000 0.000 0.272 260 R C -1.217 175.143 176.300 0.100 0.000 0.995 260 R CA -1.186 54.949 56.100 0.057 0.000 0.917 260 R CB 1.985 32.301 30.300 0.028 0.000 1.217 260 R HN 0.306 nan 8.270 nan 0.000 0.471 261 L N 0.693 121.956 121.223 0.066 0.000 2.331 261 L HA 0.492 4.832 4.340 -0.000 0.000 0.278 261 L C -0.072 176.849 176.870 0.084 0.000 1.106 261 L CA 0.741 55.633 54.840 0.086 0.000 0.824 261 L CB 1.086 43.171 42.059 0.044 0.000 1.142 261 L HN 0.731 nan 8.230 nan 0.000 0.443 262 S N 2.606 118.406 115.700 0.167 0.000 2.636 262 S HA 0.503 4.973 4.470 -0.000 0.000 0.268 262 S C -1.357 173.378 174.600 0.226 0.000 1.159 262 S CA -0.859 57.408 58.200 0.111 0.000 0.815 262 S CB 0.911 64.039 63.200 -0.119 0.000 1.130 262 S HN 0.686 nan 8.310 nan 0.000 0.471 267 G N -0.062 108.739 108.800 0.001 0.000 2.253 267 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.251 267 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.251 267 G C -0.153 174.752 174.900 0.009 0.000 0.998 267 G CA 0.502 45.606 45.100 0.007 0.000 0.621 267 G HN 0.415 nan 8.290 nan 0.000 0.524 268 E N 1.755 121.955 120.200 0.000 0.000 2.283 268 E HA 0.405 4.755 4.350 -0.000 0.000 0.278 268 E C -2.347 174.263 176.600 0.017 0.000 1.027 268 E CA -2.056 54.344 56.400 -0.000 0.000 0.843 268 E CB 0.860 30.548 29.700 -0.019 0.000 1.062 268 E HN 0.133 nan 8.360 nan 0.000 0.401 269 P HA -0.081 nan 4.420 nan 0.000 0.261 269 P C -0.405 176.911 177.300 0.026 0.000 1.173 269 P CA 0.830 63.950 63.100 0.035 0.000 0.760 269 P CB 0.504 32.217 31.700 0.021 0.000 0.783 270 Q N 1.551 121.383 119.800 0.054 0.000 2.462 270 Q HA 0.426 4.766 4.340 -0.000 0.000 0.285 270 Q C -0.917 175.104 176.000 0.036 0.000 1.035 270 Q CA -0.985 54.816 55.803 -0.002 0.000 0.799 270 Q CB 2.056 30.748 28.738 -0.077 0.000 1.452 270 Q HN 0.317 nan 8.270 nan 0.000 0.404 271 L N 1.737 122.922 121.223 -0.063 0.000 2.305 271 L HA 0.460 4.800 4.340 -0.000 0.000 0.281 271 L C -0.765 176.030 176.870 -0.125 0.000 1.085 271 L CA -0.192 54.630 54.840 -0.030 0.000 0.813 271 L CB 0.316 42.319 42.059 -0.093 0.000 1.157 271 L HN 0.407 nan 8.230 nan 0.000 0.436 272 F N 0.664 120.587 119.950 -0.046 0.000 2.480 272 F HA 0.244 4.771 4.527 -0.000 0.000 0.329 272 F C 0.393 176.181 175.800 -0.020 0.000 1.091 272 F CA -0.861 57.119 58.000 -0.033 0.000 0.972 272 F CB 1.391 40.386 39.000 -0.009 0.000 1.150 272 F HN 0.356 nan 8.300 nan 0.000 0.467 273 D N 3.698 124.189 120.400 0.152 0.000 2.352 273 D HA 0.168 4.808 4.640 -0.000 0.000 0.245 273 D C 0.249 176.641 176.300 0.154 0.000 1.224 273 D CA 0.210 54.306 54.000 0.159 0.000 0.879 273 D CB 0.585 41.501 40.800 0.194 0.000 1.057 273 D HN 0.513 nan 8.370 nan 0.000 0.491 274 L N 3.120 124.411 121.223 0.114 0.000 2.737 274 L HA 0.040 4.380 4.340 -0.000 0.000 0.236 274 L C 1.793 178.705 176.870 0.069 0.000 1.219 274 L CA -0.063 54.818 54.840 0.067 0.000 1.021 274 L CB -0.180 41.901 42.059 0.036 0.000 1.291 274 L HN 0.312 nan 8.230 nan 0.000 0.470 275 S N -1.165 114.605 115.700 0.117 0.000 2.524 275 S HA 0.377 4.847 4.470 -0.000 0.000 0.216 275 S C 0.706 175.471 174.600 0.274 0.000 0.987 275 S CA 0.200 58.527 58.200 0.211 0.000 0.909 275 S CB 0.465 63.835 63.200 0.282 0.000 0.781 275 S HN 0.312 nan 8.310 nan 0.000 0.521 276 A N -0.161 122.754 122.820 0.157 0.000 2.564 276 A HA 0.692 5.012 4.320 -0.000 0.000 0.291 276 A C -0.282 177.288 177.584 -0.023 0.000 1.102 276 A CA -0.581 51.517 52.037 0.101 0.000 0.660 276 A CB -0.108 18.987 19.000 0.157 0.000 1.283 276 A HN 0.252 nan 8.150 nan 0.000 0.430 277 H N -0.584 118.586 119.070 0.168 0.000 2.399 277 H HA 0.303 4.859 4.556 -0.000 0.000 0.300 277 H C 0.821 176.197 175.328 0.081 0.000 1.048 277 H CA 1.883 58.021 56.048 0.150 0.000 1.370 277 H CB 0.523 30.412 29.762 0.213 0.000 1.428 277 H HN 0.636 nan 8.280 nan 0.000 0.534 278 T N 0.355 115.016 114.554 0.179 0.000 2.903 278 T HA 0.546 4.896 4.350 -0.000 0.000 0.299 278 T C -1.458 173.267 174.700 0.041 0.000 1.093 278 T CA -0.564 61.590 62.100 0.091 0.000 1.002 278 T CB 1.054 69.963 68.868 0.068 0.000 1.127 278 T HN 0.111 nan 8.240 nan 0.000 0.488 279 V N 1.464 121.383 119.914 0.007 0.000 3.078 279 V HA 1.030 5.150 4.120 -0.000 0.000 0.311 279 V C -1.255 174.880 176.094 0.069 0.000 1.138 279 V CA -1.212 61.020 62.300 -0.114 0.000 1.007 279 V CB 1.527 33.205 31.823 -0.242 0.000 1.045 279 V HN 1.111 nan 8.190 nan 0.000 0.432 280 W N 1.615 122.890 121.300 -0.042 0.000 2.902 280 W HA 0.934 5.594 4.660 -0.000 0.000 0.346 280 W C -1.664 174.831 176.519 -0.038 0.000 1.139 280 W CA -1.603 55.723 57.345 -0.030 0.000 1.139 280 W CB 1.153 30.612 29.460 -0.002 0.000 1.439 280 W HN 0.604 nan 8.180 nan 0.000 0.558 281 I N 2.833 123.516 120.570 0.187 0.000 2.406 281 I HA 0.562 4.732 4.170 -0.000 0.000 0.290 281 I C 0.908 177.097 176.117 0.120 0.000 0.999 281 I CA -0.773 60.551 61.300 0.041 0.000 1.124 281 I CB 1.371 39.372 38.000 0.002 0.000 1.289 281 I HN 0.775 nan 8.210 nan 0.000 0.441 282 G N 3.038 111.866 108.800 0.047 0.000 2.616 282 G HA2 0.113 4.073 3.960 -0.000 0.000 0.268 282 G HA3 0.113 4.073 3.960 -0.000 0.000 0.268 282 G C 0.604 175.482 174.900 -0.038 0.000 1.213 282 G CA -0.168 44.963 45.100 0.051 0.000 0.926 282 G HN 0.714 nan 8.290 nan 0.000 0.523 283 E N -0.644 119.530 120.200 -0.043 0.000 2.209 283 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 283 E C 2.309 178.891 176.600 -0.030 0.000 0.993 283 E CA 1.198 57.577 56.400 -0.035 0.000 0.819 283 E CB 0.055 29.734 29.700 -0.035 0.000 0.745 283 E HN 0.496 nan 8.360 nan 0.000 0.477 284 R N -1.348 119.120 120.500 -0.054 0.000 2.362 284 R HA 0.124 4.463 4.340 -0.000 0.000 0.227 284 R C 0.778 177.027 176.300 -0.085 0.000 0.905 284 R CA 1.071 57.139 56.100 -0.053 0.000 1.067 284 R CB 0.605 30.874 30.300 -0.052 0.000 1.078 284 R HN 0.186 nan 8.270 nan 0.000 0.516 285 T N -2.582 111.888 114.554 -0.140 0.000 3.170 285 T HA 0.100 4.450 4.350 -0.000 0.000 0.288 285 T C 0.889 175.526 174.700 -0.104 0.000 0.992 285 T CA -0.608 61.349 62.100 -0.238 0.000 0.909 285 T CB 0.157 68.604 68.868 -0.701 0.000 1.133 285 T HN 0.189 nan 8.240 nan 0.000 0.530 286 R N 0.871 121.357 120.500 -0.023 0.000 2.568 286 R HA 0.387 4.727 4.340 -0.000 0.000 0.288 286 R C -0.492 175.916 176.300 0.181 0.000 1.077 286 R CA -0.612 55.518 56.100 0.050 0.000 1.102 286 R CB -0.459 29.814 30.300 -0.045 0.000 1.278 286 R HN 0.184 nan 8.270 nan 0.000 0.560 287 Q N 0.893 120.772 119.800 0.131 0.000 2.269 287 Q HA -0.053 4.287 4.340 -0.000 0.000 0.300 287 Q C 0.897 176.987 176.000 0.151 0.000 1.070 287 Q CA 0.041 55.919 55.803 0.126 0.000 0.957 287 Q CB 0.700 29.491 28.738 0.088 0.000 1.131 287 Q HN 0.298 nan 8.270 nan 0.000 0.377 288 I N 1.972 122.612 120.570 0.117 0.000 2.361 288 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 288 I C 0.496 176.650 176.117 0.061 0.000 1.133 288 I CA 1.611 62.958 61.300 0.078 0.000 1.413 288 I CB 0.169 38.122 38.000 -0.078 0.000 1.073 288 I HN 0.621 nan 8.210 nan 0.000 0.424 289 D N 0.470 120.900 120.400 0.049 0.000 2.388 289 D HA 0.238 4.878 4.640 -0.000 0.000 0.221 289 D C 0.719 177.053 176.300 0.056 0.000 1.133 289 D CA 0.254 54.279 54.000 0.041 0.000 0.831 289 D CB -0.024 40.790 40.800 0.022 0.000 0.962 289 D HN 0.344 nan 8.370 nan 0.000 0.502 290 G N -0.263 108.587 108.800 0.083 0.000 2.522 290 G HA2 0.431 4.391 3.960 -0.000 0.000 0.304 290 G HA3 0.431 4.391 3.960 -0.000 0.000 0.304 290 G C 1.022 175.980 174.900 0.097 0.000 1.210 290 G CA -0.078 45.080 45.100 0.096 0.000 0.960 290 G HN 0.047 nan 8.290 nan 0.000 0.497 291 A N -0.910 121.952 122.820 0.069 0.000 2.015 291 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 291 A C 1.946 179.526 177.584 -0.006 0.000 1.163 291 A CA 1.807 53.846 52.037 0.003 0.000 0.646 291 A CB -0.639 18.310 19.000 -0.085 0.000 0.806 291 A HN 0.748 nan 8.150 nan 0.000 0.448 292 H N -0.459 118.651 119.070 0.067 0.000 2.326 292 H HA -0.011 4.545 4.556 -0.000 0.000 0.301 292 H C 1.893 177.295 175.328 0.124 0.000 1.081 292 H CA 1.645 57.737 56.048 0.075 0.000 1.334 292 H CB -0.022 29.752 29.762 0.020 0.000 1.385 292 H HN 0.334 nan 8.280 nan 0.000 0.504 293 I N 0.594 121.298 120.570 0.224 0.000 2.315 293 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 293 I C 2.531 178.725 176.117 0.127 0.000 1.117 293 I CA 1.184 62.583 61.300 0.166 0.000 1.404 293 I CB -1.315 36.794 38.000 0.182 0.000 1.071 293 I HN 0.279 nan 8.210 nan 0.000 0.419 294 A N 0.495 123.385 122.820 0.117 0.000 1.902 294 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 294 A C 2.303 179.936 177.584 0.082 0.000 1.181 294 A CA 1.383 53.467 52.037 0.078 0.000 0.623 294 A CB -1.056 17.984 19.000 0.067 0.000 0.818 294 A HN 0.374 nan 8.150 nan 0.000 0.443 295 F N 0.903 120.843 119.950 -0.017 0.000 2.134 295 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 295 F C 2.498 178.286 175.800 -0.020 0.000 1.097 295 F CA 1.271 59.254 58.000 -0.028 0.000 1.264 295 F CB -0.320 38.651 39.000 -0.049 0.000 1.001 295 F HN 0.239 nan 8.300 nan 0.000 0.479 296 A N -0.216 122.676 122.820 0.120 0.000 2.019 296 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 296 A C 2.109 179.649 177.584 -0.075 0.000 1.164 296 A CA 1.600 53.648 52.037 0.018 0.000 0.644 296 A CB -0.748 18.302 19.000 0.082 0.000 0.805 296 A HN 0.601 nan 8.150 nan 0.000 0.449 297 Q N -0.715 119.052 119.800 -0.056 0.000 2.124 297 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 297 Q C 2.030 177.952 176.000 -0.130 0.000 0.977 297 Q CA 1.659 57.415 55.803 -0.078 0.000 0.850 297 Q CB -0.245 28.463 28.738 -0.049 0.000 0.901 297 Q HN 0.508 nan 8.270 nan 0.000 0.429 298 V N 1.483 121.282 119.914 -0.192 0.000 2.649 298 V HA -0.045 4.075 4.120 -0.000 0.000 0.248 298 V C 1.394 177.318 176.094 -0.282 0.000 1.054 298 V CA 0.549 62.717 62.300 -0.219 0.000 1.073 298 V CB -0.267 31.416 31.823 -0.234 0.000 0.699 298 V HN 0.340 nan 8.190 nan 0.000 0.463 299 I N -1.355 118.986 120.570 -0.381 0.000 2.720 299 I HA 0.471 4.641 4.170 -0.000 0.000 0.287 299 I C 1.316 177.233 176.117 -0.333 0.000 1.090 299 I CA 0.103 61.175 61.300 -0.379 0.000 1.384 299 I CB 1.204 38.955 38.000 -0.415 0.000 1.420 299 I HN -0.003 nan 8.210 nan 0.000 0.575 300 A N 3.931 126.454 122.820 -0.495 0.000 2.072 300 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 300 A C 0.842 178.205 177.584 -0.367 0.000 1.156 300 A CA 0.228 51.914 52.037 -0.584 0.000 0.701 300 A CB -1.025 17.204 19.000 -1.285 0.000 0.816 300 A HN 0.891 nan 8.150 nan 0.000 0.458 301 N N 1.230 119.787 118.700 -0.238 0.000 2.345 301 N HA 0.264 5.004 4.740 -0.000 0.000 0.243 301 N C -2.798 172.685 175.510 -0.045 0.000 1.246 301 N CA -0.545 52.477 53.050 -0.046 0.000 0.863 301 N CB -0.140 38.359 38.487 0.020 0.000 1.096 301 N HN 0.143 nan 8.380 nan 0.000 0.446 302 P HA 0.034 nan 4.420 nan 0.000 0.268 302 P C -0.702 176.594 177.300 -0.007 0.000 1.205 302 P CA -0.220 62.865 63.100 -0.025 0.000 0.771 302 P CB 0.600 32.277 31.700 -0.038 0.000 0.858 303 V N -0.032 119.875 119.914 -0.011 0.000 3.040 303 V HA 0.995 5.115 4.120 -0.000 0.000 0.312 303 V C -0.119 175.985 176.094 0.018 0.000 1.115 303 V CA -0.890 61.421 62.300 0.018 0.000 0.998 303 V CB 1.981 33.809 31.823 0.010 0.000 1.042 303 V HN 0.645 nan 8.190 nan 0.000 0.433 304 G N 0.435 109.282 108.800 0.078 0.000 2.533 304 G HA2 0.694 4.654 3.960 -0.000 0.000 0.304 304 G HA3 0.694 4.654 3.960 -0.000 0.000 0.304 304 G C -1.537 173.394 174.900 0.053 0.000 1.263 304 G CA -0.881 44.253 45.100 0.056 0.000 0.964 304 G HN 1.102 nan 8.290 nan 0.000 0.479 305 V N 1.793 121.674 119.914 -0.055 0.000 2.588 305 V HA 0.417 4.537 4.120 -0.000 0.000 0.304 305 V C -0.607 175.413 176.094 -0.123 0.000 1.042 305 V CA -1.275 60.940 62.300 -0.142 0.000 0.877 305 V CB 1.900 33.476 31.823 -0.411 0.000 0.996 305 V HN 0.575 nan 8.190 nan 0.000 0.425 306 K N 4.884 125.229 120.400 -0.092 0.000 2.322 306 K HA 0.553 4.873 4.320 -0.000 0.000 0.283 306 K C -0.843 175.712 176.600 -0.074 0.000 1.042 306 K CA -0.055 56.172 56.287 -0.101 0.000 0.958 306 K CB 1.186 33.620 32.500 -0.109 0.000 0.984 306 K HN 0.523 nan 8.250 nan 0.000 0.473 307 L N 2.148 123.356 121.223 -0.026 0.000 2.343 307 L HA 0.444 4.784 4.340 -0.000 0.000 0.278 307 L C 0.799 177.691 176.870 0.036 0.000 0.996 307 L CA -0.802 54.057 54.840 0.032 0.000 0.831 307 L CB 1.907 44.022 42.059 0.095 0.000 1.232 307 L HN 0.656 nan 8.230 nan 0.000 0.413 308 G N 2.160 110.982 108.800 0.036 0.000 2.671 308 G HA2 0.474 4.434 3.960 -0.000 0.000 0.275 308 G HA3 0.474 4.434 3.960 -0.000 0.000 0.275 308 G C -2.092 172.828 174.900 0.032 0.000 1.368 308 G CA -1.061 44.057 45.100 0.030 0.000 1.044 308 G HN 0.383 nan 8.290 nan 0.000 0.543 309 P HA -0.063 nan 4.420 nan 0.000 0.219 309 P C 1.106 178.415 177.300 0.015 0.000 1.146 309 P CA 0.823 63.927 63.100 0.006 0.000 0.808 309 P CB 0.212 31.911 31.700 -0.002 0.000 0.779 310 N N -1.284 117.432 118.700 0.027 0.000 2.383 310 N HA 0.046 4.786 4.740 -0.000 0.000 0.192 310 N C 0.556 176.090 175.510 0.040 0.000 1.141 310 N CA 0.114 53.182 53.050 0.029 0.000 0.851 310 N CB -0.533 37.972 38.487 0.031 0.000 0.976 310 N HN 0.198 nan 8.380 nan 0.000 0.465 311 M N 1.470 121.101 119.600 0.052 0.000 2.228 311 M HA 0.065 4.545 4.480 -0.000 0.000 0.351 311 M C 0.178 176.510 176.300 0.053 0.000 1.233 311 M CA -0.269 55.075 55.300 0.075 0.000 1.129 311 M CB 0.490 33.153 32.600 0.104 0.000 1.604 311 M HN 0.109 nan 8.290 nan 0.000 0.457 312 T N 3.213 117.796 114.554 0.048 0.000 2.902 312 T HA 0.566 4.916 4.350 -0.000 0.000 0.283 312 T C -2.189 172.534 174.700 0.038 0.000 1.009 312 T CA -1.814 60.303 62.100 0.028 0.000 1.051 312 T CB 1.076 69.950 68.868 0.009 0.000 0.999 312 T HN 0.525 nan 8.240 nan 0.000 0.474 313 P HA -0.108 nan 4.420 nan 0.000 0.217 313 P C 1.043 178.361 177.300 0.029 0.000 1.148 313 P CA 1.062 64.188 63.100 0.043 0.000 0.828 313 P CB 0.142 31.857 31.700 0.025 0.000 0.783 314 E N -0.951 119.251 120.200 0.003 0.000 2.046 314 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 314 E C 1.821 178.383 176.600 -0.062 0.000 0.982 314 E CA 0.650 57.037 56.400 -0.023 0.000 0.800 314 E CB -1.182 28.502 29.700 -0.027 0.000 0.756 314 E HN 0.107 nan 8.360 nan 0.000 0.449 315 L N 0.579 121.757 121.223 -0.075 0.000 2.093 315 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 315 L C 2.006 178.743 176.870 -0.222 0.000 1.085 315 L CA 1.813 56.539 54.840 -0.189 0.000 0.755 315 L CB -0.798 41.174 42.059 -0.145 0.000 0.904 315 L HN 0.111 nan 8.230 nan 0.000 0.435 316 A N -1.155 121.674 122.820 0.014 0.000 1.940 316 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 316 A C 2.250 179.885 177.584 0.085 0.000 1.176 316 A CA 1.979 54.116 52.037 0.167 0.000 0.631 316 A CB -1.019 18.102 19.000 0.202 0.000 0.814 316 A HN 0.299 nan 8.150 nan 0.000 0.446 317 V N -0.034 119.886 119.914 0.010 0.000 2.548 317 V HA -0.212 3.907 4.120 -0.000 0.000 0.249 317 V C 2.295 178.335 176.094 -0.090 0.000 1.055 317 V CA 1.999 64.283 62.300 -0.026 0.000 1.065 317 V CB -0.729 31.084 31.823 -0.016 0.000 0.681 317 V HN 0.621 nan 8.190 nan 0.000 0.462 318 E N -0.786 119.321 120.200 -0.156 0.000 2.153 318 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 318 E C 2.133 178.617 176.600 -0.193 0.000 0.988 318 E CA 1.352 57.626 56.400 -0.210 0.000 0.811 318 E CB -0.151 29.373 29.700 -0.293 0.000 0.746 318 E HN 0.685 nan 8.360 nan 0.000 0.466 319 Y N 0.064 120.335 120.300 -0.050 0.000 2.200 319 Y HA -0.182 4.368 4.550 -0.000 0.000 0.290 319 Y C 2.339 178.178 175.900 -0.103 0.000 1.137 319 Y CA 0.476 58.541 58.100 -0.057 0.000 1.163 319 Y CB -0.768 37.670 38.460 -0.037 0.000 0.988 319 Y HN -0.114 nan 8.280 nan 0.000 0.518 320 V N 0.133 120.051 119.914 0.006 0.000 2.332 320 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 320 V C 2.008 177.943 176.094 -0.265 0.000 1.055 320 V CA 2.181 64.386 62.300 -0.160 0.000 1.038 320 V CB -0.548 31.135 31.823 -0.234 0.000 0.651 320 V HN 0.403 nan 8.190 nan 0.000 0.450 321 E N -0.688 119.379 120.200 -0.221 0.000 2.152 321 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 321 E C 2.525 179.058 176.600 -0.112 0.000 0.983 321 E CA 0.552 56.840 56.400 -0.188 0.000 0.818 321 E CB -0.055 29.565 29.700 -0.132 0.000 0.758 321 E HN 0.375 nan 8.360 nan 0.000 0.467 322 R N 0.371 120.828 120.500 -0.070 0.000 2.057 322 R HA -0.000 4.340 4.340 -0.000 0.000 0.229 322 R C 2.227 178.499 176.300 -0.047 0.000 1.136 322 R CA 0.975 57.052 56.100 -0.039 0.000 0.952 322 R CB -0.502 29.808 30.300 0.017 0.000 0.848 322 R HN 0.235 nan 8.270 nan 0.000 0.430 323 L N -0.053 121.152 121.223 -0.029 0.000 2.529 323 L HA 0.095 4.435 4.340 -0.000 0.000 0.223 323 L C 0.233 177.064 176.870 -0.064 0.000 1.113 323 L CA 0.296 55.114 54.840 -0.037 0.000 0.861 323 L CB 0.107 42.163 42.059 -0.006 0.000 1.012 323 L HN -0.009 nan 8.230 nan 0.000 0.461 324 D N -0.339 120.014 120.400 -0.078 0.000 2.861 324 D HA 0.135 4.775 4.640 -0.000 0.000 0.357 324 D C -1.590 174.704 176.300 -0.011 0.000 1.250 324 D CA -1.609 52.370 54.000 -0.034 0.000 0.802 324 D CB 0.731 41.548 40.800 0.030 0.000 1.141 324 D HN -0.092 nan 8.370 nan 0.000 0.489 325 P HA -0.115 nan 4.420 nan 0.000 0.218 325 P C 0.569 177.804 177.300 -0.108 0.000 1.149 325 P CA 1.075 64.071 63.100 -0.174 0.000 0.817 325 P CB 0.051 31.529 31.700 -0.370 0.000 0.785 326 H N -1.191 117.913 119.070 0.057 0.000 2.524 326 H HA 0.146 4.702 4.556 -0.000 0.000 0.280 326 H C 0.380 175.709 175.328 0.001 0.000 1.018 326 H CA -0.415 55.645 56.048 0.020 0.000 1.165 326 H CB -0.590 29.170 29.762 -0.004 0.000 1.411 326 H HN -0.007 nan 8.280 nan 0.000 0.569 327 N N 2.246 121.006 118.700 0.100 0.000 2.667 327 N HA -0.179 4.561 4.740 -0.000 0.000 0.263 327 N C -1.218 174.298 175.510 0.011 0.000 1.038 327 N CA 0.391 53.427 53.050 -0.022 0.000 0.749 327 N CB -0.530 37.802 38.487 -0.258 0.000 0.892 327 N HN 0.312 nan 8.380 nan 0.000 0.546 328 K N 1.602 122.032 120.400 0.051 0.000 2.281 328 K HA 0.402 4.722 4.320 -0.000 0.000 0.272 328 K C -2.330 174.275 176.600 0.007 0.000 1.048 328 K CA -1.658 54.645 56.287 0.026 0.000 0.898 328 K CB 1.135 33.657 32.500 0.038 0.000 1.128 328 K HN 0.195 nan 8.250 nan 0.000 0.460 329 P HA -0.032 nan 4.420 nan 0.000 0.264 329 P C 0.848 178.130 177.300 -0.030 0.000 1.183 329 P CA 0.814 63.902 63.100 -0.020 0.000 0.763 329 P CB 0.521 32.208 31.700 -0.022 0.000 0.807 330 G N 3.083 111.854 108.800 -0.048 0.000 2.205 330 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.261 330 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.261 330 G C 1.278 176.141 174.900 -0.062 0.000 0.980 330 G CA 0.594 45.656 45.100 -0.063 0.000 0.632 330 G HN 0.625 nan 8.290 nan 0.000 0.533 331 R N -0.031 120.441 120.500 -0.046 0.000 2.092 331 R HA 0.291 4.631 4.340 -0.000 0.000 0.231 331 R C 1.139 177.406 176.300 -0.054 0.000 1.119 331 R CA 1.662 57.738 56.100 -0.041 0.000 0.970 331 R CB -0.244 30.044 30.300 -0.021 0.000 0.864 331 R HN 0.792 nan 8.270 nan 0.000 0.440 332 L N 0.983 122.164 121.223 -0.070 0.000 2.313 332 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 332 L C -1.324 175.459 176.870 -0.145 0.000 1.013 332 L CA -0.152 54.632 54.840 -0.094 0.000 0.816 332 L CB 2.206 44.209 42.059 -0.093 0.000 1.236 332 L HN 0.100 nan 8.230 nan 0.000 0.419 333 T N 6.280 120.753 114.554 -0.135 0.000 2.779 333 T HA 0.541 4.891 4.350 -0.000 0.000 0.280 333 T C -0.304 174.297 174.700 -0.164 0.000 0.987 333 T CA -0.291 61.710 62.100 -0.165 0.000 0.966 333 T CB 0.779 69.580 68.868 -0.112 0.000 0.933 333 T HN 0.420 nan 8.240 nan 0.000 0.442 334 L N 3.600 124.686 121.223 -0.228 0.000 2.272 334 L HA 0.525 4.865 4.340 -0.000 0.000 0.289 334 L C -0.415 176.471 176.870 0.027 0.000 1.032 334 L CA -0.995 53.771 54.840 -0.124 0.000 0.810 334 L CB 1.355 43.296 42.059 -0.195 0.000 1.205 334 L HN 0.358 nan 8.230 nan 0.000 0.422 335 V N 2.340 122.258 119.914 0.006 0.000 2.318 335 V HA 0.154 4.274 4.120 -0.000 0.000 0.271 335 V C 0.512 176.619 176.094 0.021 0.000 1.030 335 V CA -0.349 61.945 62.300 -0.010 0.000 0.844 335 V CB 1.192 32.950 31.823 -0.109 0.000 1.015 335 V HN 0.785 nan 8.190 nan 0.000 0.460 336 S N 5.428 121.182 115.700 0.090 0.000 2.481 336 S HA 0.472 4.942 4.470 -0.000 0.000 0.276 336 S C 0.240 174.847 174.600 0.011 0.000 1.247 336 S CA -0.633 57.632 58.200 0.109 0.000 1.053 336 S CB -0.092 63.258 63.200 0.250 0.000 0.925 336 S HN 0.837 nan 8.310 nan 0.000 0.491 337 R N 4.550 125.060 120.500 0.016 0.000 2.734 337 R HA 0.387 4.727 4.340 -0.000 0.000 0.268 337 R C 0.020 176.336 176.300 0.026 0.000 1.785 337 R CA -0.351 55.754 56.100 0.009 0.000 1.461 337 R CB -0.036 30.264 30.300 -0.000 0.000 1.308 337 R HN 0.438 nan 8.270 nan 0.000 0.586 338 M N 0.529 120.144 119.600 0.025 0.000 2.514 338 M HA 0.342 4.822 4.480 -0.000 0.000 0.258 338 M C 0.446 176.728 176.300 -0.030 0.000 1.159 338 M CA 0.760 56.059 55.300 -0.001 0.000 1.116 338 M CB -0.024 32.570 32.600 -0.009 0.000 1.333 338 M HN 0.849 nan 8.290 nan 0.000 0.487 339 G N 2.819 111.631 108.800 0.020 0.000 2.895 339 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 339 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 339 G C 0.394 175.332 174.900 0.063 0.000 1.108 339 G CA -0.066 45.081 45.100 0.079 0.000 0.761 339 G HN 0.421 nan 8.290 nan 0.000 0.611 340 N N 1.434 120.241 118.700 0.179 0.000 2.149 340 N HA -0.229 4.511 4.740 -0.000 0.000 0.188 340 N C 1.723 177.314 175.510 0.135 0.000 1.019 340 N CA 2.443 55.573 53.050 0.134 0.000 0.857 340 N CB -0.612 37.943 38.487 0.114 0.000 0.997 340 N HN 1.060 nan 8.380 nan 0.000 0.426 341 H N -0.315 118.765 119.070 0.018 0.000 2.546 341 H HA 0.196 4.752 4.556 -0.000 0.000 0.277 341 H C 0.755 176.091 175.328 0.013 0.000 1.004 341 H CA 0.674 56.729 56.048 0.012 0.000 1.231 341 H CB -0.130 29.637 29.762 0.008 0.000 1.382 341 H HN 0.320 nan 8.280 nan 0.000 0.580 342 K N 0.117 120.293 120.400 -0.372 0.000 2.391 342 K HA 0.133 4.453 4.320 -0.000 0.000 0.197 342 K C 1.942 178.467 176.600 -0.124 0.000 1.087 342 K CA 0.393 56.511 56.287 -0.283 0.000 1.012 342 K CB 0.949 33.213 32.500 -0.393 0.000 0.925 342 K HN 0.025 nan 8.250 nan 0.000 0.547 343 V N 1.607 121.480 119.914 -0.069 0.000 2.358 343 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 343 V C 1.898 177.974 176.094 -0.030 0.000 1.047 343 V CA 1.790 64.081 62.300 -0.015 0.000 1.035 343 V CB -0.143 31.711 31.823 0.052 0.000 0.658 343 V HN 0.217 nan 8.190 nan 0.000 0.452 344 R N -0.284 120.199 120.500 -0.027 0.000 2.189 344 R HA -0.091 4.249 4.340 -0.000 0.000 0.223 344 R C 1.897 178.161 176.300 -0.060 0.000 1.092 344 R CA 1.685 57.759 56.100 -0.043 0.000 0.989 344 R CB -0.160 30.128 30.300 -0.021 0.000 0.876 344 R HN 0.660 nan 8.270 nan 0.000 0.457 345 D N -0.153 120.213 120.400 -0.056 0.000 2.259 345 D HA -0.031 4.609 4.640 -0.000 0.000 0.216 345 D C 1.856 178.119 176.300 -0.061 0.000 0.961 345 D CA 0.792 54.759 54.000 -0.055 0.000 0.878 345 D CB 0.249 41.021 40.800 -0.046 0.000 1.009 345 D HN 0.185 nan 8.370 nan 0.000 0.490 346 L N 0.486 121.672 121.223 -0.062 0.000 2.249 346 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 346 L C 2.356 179.190 176.870 -0.060 0.000 1.090 346 L CA 0.204 55.013 54.840 -0.051 0.000 0.802 346 L CB -0.054 41.980 42.059 -0.043 0.000 0.947 346 L HN 0.007 nan 8.230 nan 0.000 0.453 347 L N 0.869 122.042 121.223 -0.083 0.000 2.072 347 L HA 0.006 4.346 4.340 -0.000 0.000 0.205 347 L C -0.524 176.213 176.870 -0.221 0.000 1.079 347 L CA 1.769 56.531 54.840 -0.130 0.000 0.752 347 L CB -1.403 40.571 42.059 -0.142 0.000 0.906 347 L HN 0.013 nan 8.230 nan 0.000 0.436 348 P HA -0.145 nan 4.420 nan 0.000 0.215 348 P C -1.415 175.775 177.300 -0.184 0.000 1.157 348 P CA 2.211 65.165 63.100 -0.243 0.000 0.874 348 P CB -1.384 30.207 31.700 -0.180 0.000 0.790 349 P HA -0.093 nan 4.420 nan 0.000 0.219 349 P C 1.657 178.925 177.300 -0.053 0.000 1.150 349 P CA 1.299 64.355 63.100 -0.073 0.000 0.814 349 P CB -0.433 31.239 31.700 -0.047 0.000 0.787 350 I N -0.555 119.984 120.570 -0.052 0.000 2.179 350 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 350 I C 2.503 178.626 176.117 0.010 0.000 1.088 350 I CA 1.221 62.531 61.300 0.018 0.000 1.357 350 I CB -0.780 37.259 38.000 0.065 0.000 1.051 350 I HN -0.197 nan 8.210 nan 0.000 0.409 351 V N 0.666 120.437 119.914 -0.238 0.000 2.343 351 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 351 V C 2.364 178.395 176.094 -0.105 0.000 1.051 351 V CA 1.862 63.900 62.300 -0.436 0.000 1.036 351 V CB -0.702 30.603 31.823 -0.863 0.000 0.654 351 V HN 0.425 nan 8.190 nan 0.000 0.451 352 E N -0.184 119.953 120.200 -0.105 0.000 2.038 352 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 352 E C 2.404 179.022 176.600 0.031 0.000 1.000 352 E CA 1.161 57.540 56.400 -0.035 0.000 0.803 352 E CB -0.190 29.479 29.700 -0.051 0.000 0.750 352 E HN 0.359 nan 8.360 nan 0.000 0.448 353 K N 0.628 121.051 120.400 0.039 0.000 2.063 353 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 353 K C 2.170 178.834 176.600 0.108 0.000 1.048 353 K CA 0.815 57.139 56.287 0.062 0.000 0.928 353 K CB -0.363 32.168 32.500 0.052 0.000 0.713 353 K HN 0.050 nan 8.250 nan 0.000 0.442 354 V N 1.596 121.621 119.914 0.185 0.000 2.323 354 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 354 V C 2.453 178.691 176.094 0.239 0.000 1.041 354 V CA 1.429 63.875 62.300 0.244 0.000 1.025 354 V CB -0.334 31.750 31.823 0.436 0.000 0.656 354 V HN 0.308 nan 8.190 nan 0.000 0.451 355 Q N 0.057 120.016 119.800 0.265 0.000 2.181 355 Q HA -0.157 4.183 4.340 -0.000 0.000 0.205 355 Q C 2.323 178.406 176.000 0.138 0.000 0.980 355 Q CA 1.836 57.766 55.803 0.212 0.000 0.862 355 Q CB -0.614 28.228 28.738 0.172 0.000 0.905 355 Q HN 0.661 nan 8.270 nan 0.000 0.429 356 A N 0.869 123.754 122.820 0.109 0.000 2.119 356 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 356 A C 2.214 179.852 177.584 0.090 0.000 1.153 356 A CA 1.610 53.694 52.037 0.079 0.000 0.692 356 A CB -0.593 18.441 19.000 0.056 0.000 0.799 356 A HN 0.514 nan 8.150 nan 0.000 0.458 357 T N -4.063 110.564 114.554 0.122 0.000 2.962 357 T HA 0.267 4.617 4.350 -0.000 0.000 0.270 357 T C 1.623 176.449 174.700 0.209 0.000 1.088 357 T CA 1.350 63.550 62.100 0.167 0.000 1.127 357 T CB -0.360 68.614 68.868 0.177 0.000 0.883 357 T HN 1.634 nan 8.240 nan 0.000 0.493 358 G N 0.804 109.691 108.800 0.144 0.000 2.176 358 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.253 358 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.253 358 G C 0.064 174.964 174.900 -0.000 0.000 0.979 358 G CA 0.226 45.360 45.100 0.056 0.000 0.641 358 G HN 0.754 nan 8.290 nan 0.000 0.530 359 H N 0.533 119.616 119.070 0.022 0.000 2.551 359 H HA 0.398 4.954 4.556 -0.000 0.000 0.358 359 H C 0.174 175.501 175.328 -0.001 0.000 1.151 359 H CA 0.152 56.201 56.048 0.002 0.000 1.374 359 H CB 0.687 30.441 29.762 -0.013 0.000 1.473 359 H HN 0.333 nan 8.280 nan 0.000 0.574 360 Q N 2.321 122.167 119.800 0.076 0.000 2.462 360 Q HA 0.266 4.605 4.340 -0.000 0.000 0.247 360 Q C -0.152 175.814 176.000 -0.057 0.000 1.044 360 Q CA -0.617 55.197 55.803 0.018 0.000 0.803 360 Q CB 1.627 30.368 28.738 0.004 0.000 1.190 360 Q HN 0.393 nan 8.270 nan 0.000 0.507 361 V N 0.018 119.827 119.914 -0.174 0.000 2.904 361 V HA 0.525 4.645 4.120 -0.000 0.000 0.305 361 V C 0.151 176.002 176.094 -0.407 0.000 1.067 361 V CA -0.827 61.257 62.300 -0.359 0.000 1.044 361 V CB 1.007 32.440 31.823 -0.650 0.000 1.050 361 V HN 0.548 nan 8.190 nan 0.000 0.475 362 I N 2.445 122.813 120.570 -0.337 0.000 2.371 362 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 362 I C -0.612 175.309 176.117 -0.327 0.000 1.028 362 I CA 0.151 61.308 61.300 -0.238 0.000 1.345 362 I CB 0.796 38.710 38.000 -0.143 0.000 1.407 362 I HN 0.694 nan 8.210 nan 0.000 0.501 363 W N 6.538 127.846 121.300 0.014 0.000 2.316 363 W HA 0.462 5.122 4.660 -0.000 0.000 0.308 363 W C 0.133 176.717 176.519 0.108 0.000 1.106 363 W CA -0.384 57.017 57.345 0.093 0.000 1.262 363 W CB 0.675 30.183 29.460 0.081 0.000 1.233 363 W HN 0.407 nan 8.180 nan 0.000 0.447 364 Q N 3.107 123.057 119.800 0.250 0.000 2.365 364 Q HA 0.476 4.816 4.340 -0.000 0.000 0.269 364 Q C -1.040 174.780 176.000 -0.301 0.000 1.061 364 Q CA -0.773 54.985 55.803 -0.075 0.000 0.816 364 Q CB 2.275 30.938 28.738 -0.126 0.000 1.325 364 Q HN 0.627 nan 8.270 nan 0.000 0.446 365 C N 3.214 122.049 119.300 -0.774 0.000 2.307 365 C HA 0.409 4.869 4.460 -0.000 0.000 0.340 365 C C -0.600 174.181 174.990 -0.349 0.000 1.275 365 C CA -0.296 58.206 59.018 -0.860 0.000 1.811 365 C CB 0.320 27.255 27.740 -1.342 0.000 2.372 365 C HN 0.823 nan 8.230 nan 0.000 0.531 366 D N 7.044 127.312 120.400 -0.220 0.000 2.472 366 D HA 0.362 5.002 4.640 -0.000 0.000 0.234 366 D C -1.629 174.612 176.300 -0.097 0.000 1.088 366 D CA -2.059 51.857 54.000 -0.141 0.000 0.882 366 D CB 1.353 42.053 40.800 -0.166 0.000 1.037 366 D HN 0.448 nan 8.370 nan 0.000 0.520 367 P HA 0.049 nan 4.420 nan 0.000 0.257 367 P C 0.930 178.195 177.300 -0.059 0.000 1.281 367 P CA 0.142 63.207 63.100 -0.059 0.000 0.826 367 P CB 0.310 31.975 31.700 -0.059 0.000 1.237 368 M N -1.109 118.426 119.600 -0.108 0.000 2.556 368 M HA 0.077 4.557 4.480 -0.000 0.000 0.259 368 M C 1.802 177.990 176.300 -0.188 0.000 1.175 368 M CA 1.446 56.631 55.300 -0.191 0.000 1.202 368 M CB -1.547 30.834 32.600 -0.365 0.000 1.298 368 M HN 0.075 nan 8.290 nan 0.000 0.492 369 H N 0.215 119.258 119.070 -0.044 0.000 2.529 369 H HA 0.115 4.671 4.556 -0.000 0.000 0.277 369 H C 1.980 177.313 175.328 0.009 0.000 0.999 369 H CA 1.107 57.141 56.048 -0.024 0.000 1.256 369 H CB -0.264 29.460 29.762 -0.063 0.000 1.402 369 H HN 0.502 nan 8.280 nan 0.000 0.566 370 G N -0.534 108.328 108.800 0.104 0.000 2.985 370 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.209 370 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.209 370 G C 0.657 175.632 174.900 0.124 0.000 1.165 370 G CA -0.066 45.096 45.100 0.103 0.000 0.776 370 G HN 0.286 nan 8.290 nan 0.000 0.541 371 N N 0.490 119.251 118.700 0.101 0.000 2.365 371 N HA 0.083 4.823 4.740 -0.000 0.000 0.257 371 N C -0.401 175.192 175.510 0.138 0.000 1.287 371 N CA -0.019 53.103 53.050 0.120 0.000 0.882 371 N CB 1.179 39.723 38.487 0.096 0.000 1.250 371 N HN -0.034 nan 8.380 nan 0.000 0.507 372 T N 1.403 116.032 114.554 0.124 0.000 2.882 372 T HA 0.265 4.615 4.350 -0.000 0.000 0.287 372 T C 0.008 174.818 174.700 0.183 0.000 0.992 372 T CA -0.161 62.008 62.100 0.115 0.000 1.076 372 T CB 1.238 70.155 68.868 0.083 0.000 0.961 372 T HN 0.314 nan 8.240 nan 0.000 0.490 373 H N 0.388 119.505 119.070 0.078 0.000 3.017 373 H HA 0.480 5.036 4.556 -0.000 0.000 0.346 373 H C -1.433 173.942 175.328 0.078 0.000 1.286 373 H CA -0.884 55.205 56.048 0.069 0.000 1.120 373 H CB 1.543 31.341 29.762 0.059 0.000 1.860 373 H HN 0.599 nan 8.280 nan 0.000 0.542 374 E N 1.786 122.046 120.200 0.100 0.000 2.216 374 E HA 0.322 4.672 4.350 -0.000 0.000 0.279 374 E C -0.275 176.401 176.600 0.127 0.000 0.997 374 E CA -0.668 55.755 56.400 0.038 0.000 0.817 374 E CB 1.292 31.020 29.700 0.046 0.000 1.096 374 E HN 0.688 nan 8.360 nan 0.000 0.393 375 S N 2.158 117.899 115.700 0.068 0.000 2.624 375 S HA 0.048 4.518 4.470 -0.000 0.000 0.263 375 S C 1.219 175.878 174.600 0.099 0.000 1.287 375 S CA -0.065 58.211 58.200 0.128 0.000 0.990 375 S CB 1.449 64.721 63.200 0.120 0.000 0.950 375 S HN 0.617 nan 8.310 nan 0.000 0.561 376 S N 0.090 115.847 115.700 0.095 0.000 2.402 376 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 376 S C 1.748 176.378 174.600 0.050 0.000 1.021 376 S CA 1.101 59.337 58.200 0.061 0.000 0.974 376 S CB -1.646 61.587 63.200 0.054 0.000 0.800 376 S HN 1.034 nan 8.310 nan 0.000 0.484 377 T N -2.054 112.554 114.554 0.090 0.000 3.163 377 T HA 0.413 4.763 4.350 -0.000 0.000 0.260 377 T C 1.594 176.313 174.700 0.032 0.000 1.156 377 T CA 0.741 62.912 62.100 0.119 0.000 1.072 377 T CB -0.564 68.443 68.868 0.232 0.000 0.937 377 T HN 1.166 nan 8.240 nan 0.000 0.528 378 G N 0.548 109.327 108.800 -0.035 0.000 2.175 378 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 378 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 378 G C -0.138 174.543 174.900 -0.365 0.000 0.982 378 G CA -0.293 44.676 45.100 -0.219 0.000 0.641 378 G HN 0.576 nan 8.290 nan 0.000 0.527 379 F N 2.189 122.023 119.950 -0.193 0.000 2.404 379 F HA 0.486 5.013 4.527 -0.000 0.000 0.345 379 F C 1.108 176.796 175.800 -0.188 0.000 1.110 379 F CA -0.594 57.203 58.000 -0.339 0.000 1.130 379 F CB 1.117 39.795 39.000 -0.537 0.000 1.129 379 F HN 0.156 nan 8.300 nan 0.000 0.500 380 K N 1.400 121.829 120.400 0.047 0.000 2.379 380 K HA 0.457 4.777 4.320 -0.000 0.000 0.284 380 K C -0.389 176.295 176.600 0.140 0.000 1.044 380 K CA -0.251 56.081 56.287 0.075 0.000 0.974 380 K CB 1.348 33.912 32.500 0.106 0.000 0.962 380 K HN 0.695 nan 8.250 nan 0.000 0.474 381 T N 1.961 116.479 114.554 -0.061 0.000 2.787 381 T HA 0.518 4.868 4.350 -0.000 0.000 0.297 381 T C -1.523 173.078 174.700 -0.165 0.000 1.221 381 T CA -0.990 61.068 62.100 -0.071 0.000 1.006 381 T CB 1.406 70.219 68.868 -0.091 0.000 1.328 381 T HN 0.757 nan 8.240 nan 0.000 0.509 382 R N 0.678 121.161 120.500 -0.029 0.000 2.651 382 R HA 0.390 4.730 4.340 -0.000 0.000 0.278 382 R C -1.393 175.017 176.300 0.182 0.000 1.010 382 R CA -0.813 55.343 56.100 0.092 0.000 0.896 382 R CB 1.613 31.953 30.300 0.067 0.000 1.211 382 R HN 0.705 nan 8.270 nan 0.000 0.456 383 H N 1.985 121.171 119.070 0.193 0.000 2.552 383 H HA 0.099 4.655 4.556 -0.000 0.000 0.311 383 H C 0.572 176.009 175.328 0.183 0.000 1.071 383 H CA -0.451 55.716 56.048 0.198 0.000 1.307 383 H CB 0.696 30.570 29.762 0.186 0.000 1.416 383 H HN 0.631 nan 8.280 nan 0.000 0.464 384 F N 3.473 123.640 119.950 0.363 0.000 2.111 384 F HA -0.345 4.182 4.527 -0.000 0.000 0.300 384 F C 1.484 177.394 175.800 0.182 0.000 1.088 384 F CA 2.166 60.309 58.000 0.239 0.000 1.243 384 F CB 0.082 39.211 39.000 0.215 0.000 0.996 384 F HN 0.680 nan 8.300 nan 0.000 0.483 385 D N -0.462 120.100 120.400 0.269 0.000 2.144 385 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 385 D C 2.413 178.679 176.300 -0.058 0.000 0.984 385 D CA 1.167 55.173 54.000 0.010 0.000 0.834 385 D CB -0.279 40.434 40.800 -0.146 0.000 0.955 385 D HN 0.318 nan 8.370 nan 0.000 0.465 386 R N -0.161 120.324 120.500 -0.025 0.000 2.090 386 R HA 0.076 4.416 4.340 -0.000 0.000 0.228 386 R C 2.413 178.710 176.300 -0.005 0.000 1.110 386 R CA 0.494 56.597 56.100 0.004 0.000 0.973 386 R CB -0.112 30.219 30.300 0.053 0.000 0.869 386 R HN 0.213 nan 8.270 nan 0.000 0.440 387 I N 0.047 120.595 120.570 -0.038 0.000 2.179 387 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 387 I C 2.102 178.132 176.117 -0.145 0.000 1.088 387 I CA 1.171 62.414 61.300 -0.093 0.000 1.357 387 I CB -0.198 37.721 38.000 -0.135 0.000 1.051 387 I HN -0.012 nan 8.210 nan 0.000 0.409 388 V N 0.643 120.406 119.914 -0.252 0.000 2.427 388 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 388 V C 2.134 178.195 176.094 -0.056 0.000 1.051 388 V CA 2.240 64.418 62.300 -0.203 0.000 1.048 388 V CB -0.634 31.027 31.823 -0.270 0.000 0.666 388 V HN 0.450 nan 8.190 nan 0.000 0.456 389 D N -0.153 120.228 120.400 -0.032 0.000 2.178 389 D HA -0.202 4.438 4.640 -0.000 0.000 0.202 389 D C 2.173 178.508 176.300 0.058 0.000 0.974 389 D CA 1.375 55.386 54.000 0.018 0.000 0.841 389 D CB 0.047 40.856 40.800 0.016 0.000 0.953 389 D HN 0.581 nan 8.370 nan 0.000 0.478 390 E N -0.654 119.578 120.200 0.054 0.000 2.072 390 E HA -0.110 4.239 4.350 -0.000 0.000 0.190 390 E C 2.012 178.701 176.600 0.148 0.000 0.982 390 E CA 0.886 57.339 56.400 0.087 0.000 0.803 390 E CB 0.147 29.881 29.700 0.058 0.000 0.755 390 E HN 0.120 nan 8.360 nan 0.000 0.453 391 V N 1.167 121.157 119.914 0.126 0.000 2.343 391 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 391 V C 2.564 178.913 176.094 0.424 0.000 1.051 391 V CA 2.213 64.663 62.300 0.250 0.000 1.036 391 V CB -0.729 31.203 31.823 0.181 0.000 0.654 391 V HN 0.365 nan 8.190 nan 0.000 0.451 392 Q N 0.286 120.229 119.800 0.239 0.000 2.050 392 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 392 Q C 2.327 178.472 176.000 0.242 0.000 0.980 392 Q CA 2.042 57.971 55.803 0.211 0.000 0.840 392 Q CB -0.562 28.232 28.738 0.094 0.000 0.898 392 Q HN 0.654 nan 8.270 nan 0.000 0.424 393 G N 0.022 108.934 108.800 0.186 0.000 2.442 393 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 393 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 393 G C 1.166 176.165 174.900 0.165 0.000 1.141 393 G CA 0.711 45.895 45.100 0.139 0.000 0.763 393 G HN 0.469 nan 8.290 nan 0.000 0.554 394 F N 0.614 120.624 119.950 0.100 0.000 2.102 394 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 394 F C 2.235 178.104 175.800 0.115 0.000 1.105 394 F CA 1.295 59.348 58.000 0.087 0.000 1.239 394 F CB -0.195 38.871 39.000 0.110 0.000 0.991 394 F HN 0.118 nan 8.300 nan 0.000 0.474 395 F N 1.030 121.081 119.950 0.169 0.000 2.186 395 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 395 F C 2.357 178.147 175.800 -0.017 0.000 1.090 395 F CA 1.747 59.784 58.000 0.062 0.000 1.307 395 F CB -0.629 38.441 39.000 0.117 0.000 1.019 395 F HN 0.028 nan 8.300 nan 0.000 0.489 396 E N -0.394 119.895 120.200 0.148 0.000 2.106 396 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 396 E C 2.340 178.903 176.600 -0.061 0.000 0.984 396 E CA 1.228 57.656 56.400 0.047 0.000 0.806 396 E CB -0.271 29.454 29.700 0.042 0.000 0.750 396 E HN 0.176 nan 8.360 nan 0.000 0.458 397 V N 1.268 121.086 119.914 -0.160 0.000 2.261 397 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 397 V C 2.152 178.003 176.094 -0.405 0.000 1.047 397 V CA 1.822 63.932 62.300 -0.316 0.000 1.015 397 V CB -0.560 30.987 31.823 -0.461 0.000 0.642 397 V HN 0.372 nan 8.190 nan 0.000 0.446 398 H N -0.027 118.805 119.070 -0.397 0.000 2.389 398 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 398 H C 2.587 177.793 175.328 -0.204 0.000 1.081 398 H CA 1.254 57.069 56.048 -0.388 0.000 1.345 398 H CB -0.072 29.352 29.762 -0.562 0.000 1.393 398 H HN 0.325 nan 8.280 nan 0.000 0.520 399 R N 0.693 121.180 120.500 -0.022 0.000 2.080 399 R HA -0.083 4.257 4.340 -0.000 0.000 0.236 399 R C 2.421 178.707 176.300 -0.022 0.000 1.137 399 R CA 1.129 57.236 56.100 0.011 0.000 0.943 399 R CB -0.718 29.609 30.300 0.046 0.000 0.846 399 R HN 0.267 nan 8.270 nan 0.000 0.431 400 A N 0.932 123.718 122.820 -0.057 0.000 2.019 400 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 400 A C 2.149 179.687 177.584 -0.076 0.000 1.164 400 A CA 1.056 53.054 52.037 -0.064 0.000 0.644 400 A CB -0.286 18.667 19.000 -0.079 0.000 0.805 400 A HN 0.200 nan 8.150 nan 0.000 0.449 401 L N -2.039 119.119 121.223 -0.108 0.000 2.554 401 L HA 0.236 4.575 4.340 -0.000 0.000 0.225 401 L C 1.674 178.514 176.870 -0.049 0.000 1.104 401 L CA 0.536 55.314 54.840 -0.103 0.000 0.866 401 L CB -0.157 41.792 42.059 -0.183 0.000 1.047 401 L HN 0.544 nan 8.230 nan 0.000 0.468 402 G N 1.181 109.966 108.800 -0.024 0.000 2.143 402 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.249 402 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.249 402 G C 0.407 175.334 174.900 0.044 0.000 0.981 402 G CA 0.514 45.622 45.100 0.013 0.000 0.665 402 G HN 0.406 nan 8.290 nan 0.000 0.528 403 T N -2.738 111.846 114.554 0.050 0.000 2.897 403 T HA 0.596 4.946 4.350 -0.000 0.000 0.278 403 T C 0.019 174.794 174.700 0.126 0.000 0.981 403 T CA -0.406 61.766 62.100 0.120 0.000 0.973 403 T CB 1.904 70.849 68.868 0.128 0.000 1.092 403 T HN 0.367 nan 8.240 nan 0.000 0.543 404 H N 1.931 121.011 119.070 0.018 0.000 2.552 404 H HA 0.292 4.848 4.556 -0.000 0.000 0.311 404 H C -2.443 172.655 175.328 -0.384 0.000 1.071 404 H CA -2.327 53.674 56.048 -0.078 0.000 1.307 404 H CB 1.149 30.927 29.762 0.026 0.000 1.416 404 H HN 0.346 nan 8.280 nan 0.000 0.464 405 P HA 0.078 nan 4.420 nan 0.000 0.273 405 P C 0.805 177.725 177.300 -0.633 0.000 1.319 405 P CA 0.017 62.531 63.100 -0.977 0.000 0.885 405 P CB 0.627 31.625 31.700 -1.171 0.000 1.015 406 G N 2.474 111.061 108.800 -0.355 0.000 2.494 406 G HA2 0.340 4.300 3.960 -0.000 0.000 0.216 406 G HA3 0.340 4.300 3.960 -0.000 0.000 0.216 406 G C 0.598 175.140 174.900 -0.596 0.000 1.140 406 G CA 0.528 45.460 45.100 -0.280 0.000 0.801 406 G HN 0.732 nan 8.290 nan 0.000 0.536 407 G N -0.789 107.606 108.800 -0.674 0.000 2.342 407 G HA2 0.470 4.430 3.960 -0.000 0.000 0.297 407 G HA3 0.470 4.430 3.960 -0.000 0.000 0.297 407 G C -1.573 173.022 174.900 -0.509 0.000 1.313 407 G CA -0.386 44.040 45.100 -1.123 0.000 0.830 407 G HN 0.720 nan 8.290 nan 0.000 0.506 408 I N -2.754 117.614 120.570 -0.337 0.000 2.785 408 I HA 0.789 4.959 4.170 -0.000 0.000 0.302 408 I C -1.278 174.767 176.117 -0.121 0.000 1.069 408 I CA -1.145 60.066 61.300 -0.149 0.000 1.045 408 I CB 2.720 40.740 38.000 0.033 0.000 1.236 408 I HN 0.538 nan 8.210 nan 0.000 0.429 409 H N 4.239 123.190 119.070 -0.198 0.000 2.800 409 H HA 0.728 5.284 4.556 -0.000 0.000 0.322 409 H C -1.838 173.400 175.328 -0.150 0.000 0.979 409 H CA -0.579 55.347 56.048 -0.203 0.000 1.277 409 H CB 1.820 31.407 29.762 -0.292 0.000 1.484 409 H HN 0.597 nan 8.280 nan 0.000 0.512 410 V N 4.521 124.530 119.914 0.158 0.000 2.962 410 V HA 0.336 4.456 4.120 -0.000 0.000 0.313 410 V C -0.713 175.415 176.094 0.058 0.000 1.099 410 V CA -0.684 61.646 62.300 0.051 0.000 0.971 410 V CB 2.526 34.359 31.823 0.015 0.000 1.028 410 V HN 0.780 nan 8.190 nan 0.000 0.430 411 E N 4.892 125.092 120.200 -0.000 0.000 2.129 411 E HA 0.622 4.972 4.350 -0.000 0.000 0.268 411 E C -0.913 175.684 176.600 -0.004 0.000 0.900 411 E CA -0.251 56.152 56.400 0.006 0.000 0.755 411 E CB 1.848 31.527 29.700 -0.035 0.000 1.117 411 E HN 0.623 nan 8.360 nan 0.000 0.410 412 I N -0.890 119.683 120.570 0.004 0.000 3.191 412 I HA 0.756 4.926 4.170 -0.000 0.000 0.313 412 I C -0.695 175.411 176.117 -0.017 0.000 1.193 412 I CA -0.691 60.603 61.300 -0.010 0.000 0.968 412 I CB 2.718 40.708 38.000 -0.016 0.000 1.262 412 I HN 0.297 nan 8.210 nan 0.000 0.456 413 T N 0.570 115.105 114.554 -0.032 0.000 2.889 413 T HA 0.527 4.877 4.350 -0.000 0.000 0.315 413 T C 0.146 174.806 174.700 -0.068 0.000 1.291 413 T CA -0.051 62.025 62.100 -0.042 0.000 1.028 413 T CB 1.595 70.476 68.868 0.021 0.000 1.235 413 T HN 1.048 nan 8.240 nan 0.000 0.491 414 G N 1.829 110.566 108.800 -0.105 0.000 3.314 414 G HA2 0.355 4.315 3.960 -0.000 0.000 0.238 414 G HA3 0.355 4.315 3.960 -0.000 0.000 0.238 414 G C 0.073 174.928 174.900 -0.075 0.000 1.184 414 G CA -0.094 44.939 45.100 -0.113 0.000 0.806 414 G HN 0.641 nan 8.290 nan 0.000 0.536 415 E N -0.603 119.577 120.200 -0.033 0.000 2.249 415 E HA 0.248 4.598 4.350 -0.000 0.000 0.263 415 E C -0.571 176.016 176.600 -0.023 0.000 0.950 415 E CA -0.919 55.471 56.400 -0.017 0.000 0.827 415 E CB 1.021 30.731 29.700 0.017 0.000 1.220 415 E HN -0.021 nan 8.360 nan 0.000 0.411 416 N N 1.545 120.233 118.700 -0.020 0.000 3.303 416 N HA 0.065 4.805 4.740 -0.000 0.000 0.304 416 N C -0.937 174.557 175.510 -0.027 0.000 1.302 416 N CA -0.239 52.800 53.050 -0.019 0.000 1.213 416 N CB -0.324 38.155 38.487 -0.013 0.000 1.481 416 N HN 0.333 nan 8.380 nan 0.000 0.546 417 V N -0.673 119.218 119.914 -0.037 0.000 3.083 417 V HA 0.564 4.684 4.120 -0.000 0.000 0.306 417 V C 0.652 176.711 176.094 -0.059 0.000 1.077 417 V CA -0.570 61.696 62.300 -0.057 0.000 1.073 417 V CB 1.070 32.840 31.823 -0.087 0.000 1.081 417 V HN 0.456 nan 8.190 nan 0.000 0.474 418 T N -0.976 113.537 114.554 -0.068 0.000 3.331 418 T HA 0.578 4.928 4.350 -0.000 0.000 0.381 418 T C 0.004 174.676 174.700 -0.048 0.000 1.656 418 T CA -0.313 61.750 62.100 -0.062 0.000 1.453 418 T CB 0.360 69.186 68.868 -0.069 0.000 1.066 418 T HN 0.851 nan 8.240 nan 0.000 0.655 419 E N 0.210 120.369 120.200 -0.068 0.000 2.399 419 E HA 0.224 4.574 4.350 -0.000 0.000 0.206 419 E C 0.007 176.615 176.600 0.014 0.000 0.812 419 E CA -0.193 56.164 56.400 -0.071 0.000 1.138 419 E CB 0.766 30.272 29.700 -0.323 0.000 1.140 419 E HN 0.540 nan 8.360 nan 0.000 0.536 420 C N 2.357 121.653 119.300 -0.007 0.000 2.355 420 C HA 0.450 4.910 4.460 -0.000 0.000 0.332 420 C C 0.389 175.375 174.990 -0.007 0.000 1.255 420 C CA -0.934 58.096 59.018 0.021 0.000 1.792 420 C CB 0.105 27.885 27.740 0.066 0.000 2.300 420 C HN 0.288 nan 8.230 nan 0.000 0.515 421 L N 3.503 124.698 121.223 -0.046 0.000 2.436 421 L HA 0.579 4.919 4.340 -0.000 0.000 0.265 421 L C 1.139 177.903 176.870 -0.176 0.000 1.168 421 L CA 1.036 55.775 54.840 -0.168 0.000 0.815 421 L CB -0.116 41.754 42.059 -0.315 0.000 1.109 421 L HN 1.081 nan 8.230 nan 0.000 0.462 422 G N 0.961 109.655 108.800 -0.176 0.000 2.542 422 G HA2 0.257 4.217 3.960 -0.000 0.000 0.235 422 G HA3 0.257 4.217 3.960 -0.000 0.000 0.235 422 G C 0.122 174.957 174.900 -0.108 0.000 1.286 422 G CA -0.339 44.740 45.100 -0.034 0.000 0.904 422 G HN 1.587 nan 8.290 nan 0.000 0.577 423 G N -2.238 106.388 108.800 -0.291 0.000 2.760 423 G HA2 0.362 4.322 3.960 -0.000 0.000 0.246 423 G HA3 0.362 4.322 3.960 -0.000 0.000 0.246 423 G C 1.362 176.100 174.900 -0.270 0.000 1.359 423 G CA 1.623 46.340 45.100 -0.638 0.000 0.861 423 G HN 2.489 nan 8.290 nan 0.000 0.541 424 A N -1.024 121.679 122.820 -0.195 0.000 1.940 424 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 424 A C 2.279 179.827 177.584 -0.060 0.000 1.176 424 A CA 2.501 54.497 52.037 -0.068 0.000 0.631 424 A CB -0.445 18.556 19.000 0.003 0.000 0.814 424 A HN 0.838 nan 8.150 nan 0.000 0.446 425 Q N -1.558 118.204 119.800 -0.064 0.000 2.435 425 Q HA -0.020 4.320 4.340 -0.000 0.000 0.207 425 Q C -0.048 175.924 176.000 -0.047 0.000 0.956 425 Q CA 0.430 56.204 55.803 -0.047 0.000 0.917 425 Q CB 0.076 28.791 28.738 -0.040 0.000 0.997 425 Q HN 0.609 nan 8.270 nan 0.000 0.497 426 D N 0.325 120.691 120.400 -0.056 0.000 2.705 426 D HA -0.186 4.454 4.640 -0.000 0.000 0.240 426 D C -1.093 175.180 176.300 -0.044 0.000 1.137 426 D CA 0.280 54.257 54.000 -0.038 0.000 0.677 426 D CB -1.183 39.607 40.800 -0.017 0.000 1.049 426 D HN 0.263 nan 8.370 nan 0.000 0.427 427 I N 0.822 121.355 120.570 -0.061 0.000 2.683 427 I HA 0.024 4.194 4.170 -0.000 0.000 0.286 427 I C 1.414 177.488 176.117 -0.071 0.000 1.175 427 I CA 0.431 61.694 61.300 -0.062 0.000 1.429 427 I CB 0.668 38.631 38.000 -0.063 0.000 1.371 427 I HN 0.294 nan 8.210 nan 0.000 0.569 428 S N 3.880 119.547 115.700 -0.055 0.000 2.766 428 S HA 0.377 4.847 4.470 -0.000 0.000 0.307 428 S C 0.707 175.281 174.600 -0.043 0.000 1.121 428 S CA -0.842 57.332 58.200 -0.043 0.000 0.980 428 S CB 1.460 64.647 63.200 -0.022 0.000 1.159 428 S HN 0.637 nan 8.310 nan 0.000 0.546 429 E N 0.372 120.563 120.200 -0.014 0.000 2.153 429 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 429 E C 1.554 178.143 176.600 -0.019 0.000 0.988 429 E CA 1.692 58.092 56.400 0.001 0.000 0.811 429 E CB -0.484 29.245 29.700 0.047 0.000 0.746 429 E HN 0.732 nan 8.360 nan 0.000 0.466 430 T N 1.237 115.781 114.554 -0.015 0.000 2.857 430 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 430 T C 1.136 175.801 174.700 -0.059 0.000 1.048 430 T CA 1.144 63.233 62.100 -0.018 0.000 1.139 430 T CB -0.157 68.709 68.868 -0.005 0.000 0.874 430 T HN 0.082 nan 8.240 nan 0.000 0.455 431 D N 1.248 121.606 120.400 -0.070 0.000 2.312 431 D HA 0.058 4.698 4.640 -0.000 0.000 0.211 431 D C 1.998 178.209 176.300 -0.148 0.000 0.964 431 D CA 0.324 54.273 54.000 -0.085 0.000 0.877 431 D CB -0.348 40.413 40.800 -0.065 0.000 0.924 431 D HN 0.336 nan 8.370 nan 0.000 0.515 432 L N 0.606 121.690 121.223 -0.231 0.000 2.127 432 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 432 L C 2.309 178.788 176.870 -0.653 0.000 1.089 432 L CA 1.126 55.717 54.840 -0.414 0.000 0.757 432 L CB -0.440 41.280 42.059 -0.566 0.000 0.899 432 L HN 0.004 nan 8.230 nan 0.000 0.434 433 A N 0.094 122.564 122.820 -0.583 0.000 2.168 433 A HA 0.042 4.361 4.320 -0.000 0.000 0.215 433 A C 2.299 179.821 177.584 -0.102 0.000 1.152 433 A CA 1.033 52.866 52.037 -0.339 0.000 0.716 433 A CB -0.821 18.165 19.000 -0.024 0.000 0.794 433 A HN 0.429 nan 8.150 nan 0.000 0.465 434 G N 1.166 109.906 108.800 -0.100 0.000 2.552 434 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 434 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 434 G C 0.955 175.846 174.900 -0.015 0.000 1.240 434 G CA 0.852 45.927 45.100 -0.042 0.000 0.796 434 G HN 0.701 nan 8.290 nan 0.000 0.568 435 R N -1.537 118.952 120.500 -0.019 0.000 2.734 435 R HA 0.308 4.648 4.340 -0.000 0.000 0.268 435 R C -1.638 174.671 176.300 0.015 0.000 1.785 435 R CA -0.740 55.364 56.100 0.007 0.000 1.461 435 R CB -0.093 30.201 30.300 -0.010 0.000 1.308 435 R HN 0.213 nan 8.270 nan 0.000 0.586 436 Y N 2.586 122.840 120.300 -0.076 0.000 2.600 436 Y HA 0.182 4.732 4.550 -0.000 0.000 0.351 436 Y C 0.312 176.224 175.900 0.019 0.000 1.042 436 Y CA 0.066 58.141 58.100 -0.041 0.000 1.333 436 Y CB 0.812 39.247 38.460 -0.041 0.000 1.172 436 Y HN 0.549 nan 8.280 nan 0.000 0.517 437 E N 1.871 121.996 120.200 -0.125 0.000 2.498 437 E HA 0.016 4.366 4.350 -0.000 0.000 0.203 437 E C 0.442 176.935 176.600 -0.179 0.000 1.013 437 E CA -0.074 56.266 56.400 -0.100 0.000 0.927 437 E CB 0.618 30.258 29.700 -0.101 0.000 1.012 437 E HN 0.463 nan 8.360 nan 0.000 0.482 438 T N -0.085 114.304 114.554 -0.276 0.000 2.930 438 T HA 0.175 4.525 4.350 -0.000 0.000 0.306 438 T C 0.976 175.603 174.700 -0.122 0.000 1.045 438 T CA 0.203 62.176 62.100 -0.212 0.000 1.134 438 T CB 1.132 69.841 68.868 -0.264 0.000 0.961 438 T HN 0.146 nan 8.240 nan 0.000 0.545 439 A N 3.088 125.828 122.820 -0.133 0.000 2.251 439 A HA 0.330 4.649 4.320 -0.000 0.000 0.209 439 A C 1.583 179.306 177.584 0.231 0.000 1.187 439 A CA 0.299 52.260 52.037 -0.127 0.000 0.823 439 A CB -0.453 18.435 19.000 -0.187 0.000 0.846 439 A HN 0.859 nan 8.150 nan 0.000 0.486 440 C N -1.854 117.548 119.300 0.171 0.000 3.683 440 C HA 0.339 4.799 4.460 -0.000 0.000 0.103 440 C C -0.908 174.179 174.990 0.163 0.000 2.862 440 C CA -0.139 59.005 59.018 0.210 0.000 1.141 440 C CB -0.465 27.384 27.740 0.182 0.000 2.428 440 C HN 0.433 nan 8.230 nan 0.000 0.507 441 D N 2.869 123.339 120.400 0.116 0.000 2.313 441 D HA 0.310 4.950 4.640 -0.000 0.000 0.247 441 D C -2.422 173.876 176.300 -0.003 0.000 1.094 441 D CA -0.808 53.241 54.000 0.082 0.000 0.925 441 D CB 0.552 41.389 40.800 0.062 0.000 1.188 441 D HN 0.333 nan 8.370 nan 0.000 0.430 442 P HA 0.088 nan 4.420 nan 0.000 0.266 442 P C -0.396 176.853 177.300 -0.085 0.000 1.215 442 P CA 0.054 63.102 63.100 -0.088 0.000 0.763 442 P CB 0.597 32.307 31.700 0.018 0.000 0.806 443 R N 2.557 122.989 120.500 -0.112 0.000 2.486 443 R HA 0.475 4.815 4.340 -0.000 0.000 0.286 443 R C 0.206 176.483 176.300 -0.039 0.000 0.999 443 R CA -1.130 54.931 56.100 -0.065 0.000 0.993 443 R CB 0.766 31.032 30.300 -0.056 0.000 1.084 443 R HN 0.443 nan 8.270 nan 0.000 0.487 444 L N 3.569 124.789 121.223 -0.005 0.000 2.462 444 L HA 0.033 4.372 4.340 -0.000 0.000 0.272 444 L C 0.633 177.504 176.870 0.002 0.000 1.166 444 L CA -0.337 54.521 54.840 0.031 0.000 0.880 444 L CB -0.105 41.995 42.059 0.070 0.000 1.142 444 L HN 0.738 nan 8.230 nan 0.000 0.473 445 N N 0.665 119.363 118.700 -0.003 0.000 2.285 445 N HA -0.031 4.709 4.740 -0.000 0.000 0.262 445 N C 0.971 176.465 175.510 -0.026 0.000 1.299 445 N CA 0.097 53.135 53.050 -0.021 0.000 0.930 445 N CB 0.022 38.495 38.487 -0.023 0.000 1.157 445 N HN 0.546 nan 8.380 nan 0.000 0.532 446 T N -1.365 113.167 114.554 -0.038 0.000 2.635 446 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 446 T C 1.527 176.182 174.700 -0.074 0.000 1.040 446 T CA 1.898 63.962 62.100 -0.061 0.000 1.156 446 T CB -0.411 68.422 68.868 -0.059 0.000 0.863 446 T HN 0.532 nan 8.240 nan 0.000 0.430 447 Q N -0.117 119.678 119.800 -0.010 0.000 2.046 447 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 447 Q C 2.697 178.689 176.000 -0.013 0.000 0.975 447 Q CA 1.648 57.482 55.803 0.051 0.000 0.836 447 Q CB -0.146 28.700 28.738 0.181 0.000 0.896 447 Q HN 0.685 nan 8.270 nan 0.000 0.428 448 Q N -0.234 119.568 119.800 0.003 0.000 2.124 448 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 448 Q C 2.260 178.351 176.000 0.150 0.000 0.977 448 Q CA 1.351 57.185 55.803 0.053 0.000 0.850 448 Q CB 0.012 28.805 28.738 0.092 0.000 0.901 448 Q HN 0.195 nan 8.270 nan 0.000 0.429 449 S N 0.830 116.555 115.700 0.042 0.000 2.359 449 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 449 S C 1.836 176.399 174.600 -0.061 0.000 1.035 449 S CA 1.091 59.293 58.200 0.004 0.000 1.018 449 S CB -0.204 62.969 63.200 -0.044 0.000 0.876 449 S HN 0.160 nan 8.310 nan 0.000 0.448 450 L N 1.769 122.868 121.223 -0.208 0.000 2.017 450 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 450 L C 2.359 179.106 176.870 -0.204 0.000 1.073 450 L CA 1.604 56.225 54.840 -0.366 0.000 0.745 450 L CB -1.103 40.393 42.059 -0.938 0.000 0.894 450 L HN 0.332 nan 8.230 nan 0.000 0.432 451 E N -0.731 119.365 120.200 -0.172 0.000 2.070 451 E HA -0.290 4.059 4.350 -0.000 0.000 0.197 451 E C 2.199 178.910 176.600 0.185 0.000 1.004 451 E CA 1.403 57.767 56.400 -0.061 0.000 0.805 451 E CB -0.408 29.386 29.700 0.158 0.000 0.744 451 E HN 0.266 nan 8.360 nan 0.000 0.451 452 L N 1.119 122.496 121.223 0.257 0.000 2.013 452 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 452 L C 2.300 179.208 176.870 0.064 0.000 1.073 452 L CA 2.152 57.079 54.840 0.144 0.000 0.753 452 L CB -0.618 41.483 42.059 0.070 0.000 0.890 452 L HN 0.073 nan 8.230 nan 0.000 0.432 453 A N -1.060 121.760 122.820 0.000 0.000 1.917 453 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 453 A C 2.143 179.655 177.584 -0.120 0.000 1.182 453 A CA 2.173 54.156 52.037 -0.090 0.000 0.633 453 A CB -1.174 17.713 19.000 -0.188 0.000 0.819 453 A HN 0.483 nan 8.150 nan 0.000 0.448 454 F N -0.197 119.711 119.950 -0.070 0.000 2.146 454 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 454 F C 2.128 177.978 175.800 0.083 0.000 1.096 454 F CA 1.458 59.460 58.000 0.003 0.000 1.275 454 F CB -0.333 38.621 39.000 -0.076 0.000 1.008 454 F HN 0.097 nan 8.300 nan 0.000 0.480 455 L N -1.099 120.290 121.223 0.277 0.000 2.109 455 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 455 L C 2.212 179.094 176.870 0.020 0.000 1.086 455 L CA 0.529 55.484 54.840 0.191 0.000 0.760 455 L CB -0.709 41.473 42.059 0.205 0.000 0.910 455 L HN -0.056 nan 8.230 nan 0.000 0.437 456 V N 0.011 119.908 119.914 -0.029 0.000 2.548 456 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 456 V C 2.743 178.703 176.094 -0.223 0.000 1.055 456 V CA 1.434 63.641 62.300 -0.155 0.000 1.065 456 V CB -0.732 31.064 31.823 -0.045 0.000 0.681 456 V HN 0.437 nan 8.190 nan 0.000 0.462 457 A N 0.040 122.784 122.820 -0.128 0.000 1.908 457 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 457 A C 2.189 179.727 177.584 -0.076 0.000 1.181 457 A CA 2.015 53.986 52.037 -0.111 0.000 0.627 457 A CB -0.431 18.538 19.000 -0.052 0.000 0.818 457 A HN 0.620 nan 8.150 nan 0.000 0.445 458 E N -0.742 119.444 120.200 -0.024 0.000 2.106 458 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 458 E C 2.082 178.607 176.600 -0.126 0.000 0.984 458 E CA 1.374 57.761 56.400 -0.022 0.000 0.806 458 E CB -0.279 29.444 29.700 0.039 0.000 0.750 458 E HN 0.687 nan 8.360 nan 0.000 0.458 459 M N 0.389 119.829 119.600 -0.267 0.000 2.159 459 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 459 M C 2.193 178.201 176.300 -0.488 0.000 1.063 459 M CA 1.282 56.277 55.300 -0.509 0.000 1.110 459 M CB -0.176 31.809 32.600 -1.025 0.000 1.374 459 M HN 0.101 nan 8.290 nan 0.000 0.411 460 L N -0.677 120.311 121.223 -0.392 0.000 2.376 460 L HA -0.084 4.256 4.340 -0.000 0.000 0.219 460 L C 1.006 177.840 176.870 -0.060 0.000 1.133 460 L CA 0.393 55.144 54.840 -0.148 0.000 0.816 460 L CB -0.325 41.603 42.059 -0.217 0.000 0.933 460 L HN 0.118 nan 8.230 nan 0.000 0.449 461 R N 1.665 122.118 120.500 -0.077 0.000 2.824 461 R HA 0.017 4.357 4.340 -0.000 0.000 0.240 461 R C -0.689 175.602 176.300 -0.015 0.000 1.548 461 R CA 0.042 56.116 56.100 -0.044 0.000 1.119 461 R CB -0.844 29.438 30.300 -0.030 0.000 1.189 461 R HN 0.187 nan 8.270 nan 0.000 0.596 462 D N 0.000 120.402 120.400 0.003 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 54.010 54.000 0.017 0.000 0.868 462 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683