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 1zvw_1_B DATA FIRST_RESID 25 DATA SEQUENCE PSWPQILGRL TDNRDLARGQ AAWAXDQIXT GNARPAQIAA FAVAXTXKAP DATA SEQUENCE TADEVGELAG VXLSHAHPLP ADTVPDDAVD VVGTGGDGVN TVNLSTXAAI DATA SEQUENCE VVAAAGVPVV KHGNRXXXXX XXGADTLEAL GVRIDLGPDL VARSLAEVGI DATA SEQUENCE GFCFAPRFHP SYRXXXXXXR EIGVPTVFNL LGPLTNPARP RAGLIGCAFA DATA SEQUENCE DLAEVXAGVF AARRSSVLVV HGDDGLDELT TTTTSTIWRV AAGSVDKLTF DATA SEQUENCE DPAGFGFARA QLDQLAGGDA QANAAAVRAV LGGARGPVRD AVVLNAAGAI DATA SEQUENCE VAHAGLSSRA EWLPAWEEGL RRASAAIDTG AAEQLLARWV RFGRQI 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 25 P HA 0.000 nan 4.420 nan 0.000 0.216 25 P C 0.000 176.445 177.300 -1.425 0.000 1.155 25 P CA 0.000 62.544 63.100 -0.926 0.000 0.800 25 P CB 0.000 31.114 31.700 -0.977 0.000 0.726 26 S N -0.365 114.690 115.700 -1.074 0.000 2.671 26 S HA 0.578 5.048 4.470 0.000 0.000 0.277 26 S C 0.297 174.605 174.600 -0.487 0.000 1.165 26 S CA -0.836 56.804 58.200 -0.935 0.000 0.822 26 S CB 1.314 64.312 63.200 -0.337 0.000 1.150 26 S HN 0.305 nan 8.310 nan 0.000 0.479 27 W N 0.796 122.083 121.300 -0.022 0.000 2.354 27 W HA 0.112 4.772 4.660 0.000 0.000 0.315 27 W C -1.049 175.492 176.519 0.037 0.000 1.206 27 W CA 1.767 59.171 57.345 0.098 0.000 1.290 27 W CB -1.434 28.119 29.460 0.155 0.000 1.152 27 W HN 0.568 nan 8.180 nan 0.000 0.489 28 P HA -0.222 nan 4.420 nan 0.000 0.220 28 P C 1.323 178.665 177.300 0.071 0.000 1.148 28 P CA 1.646 64.829 63.100 0.139 0.000 0.803 28 P CB -0.214 31.541 31.700 0.092 0.000 0.782 29 Q N -0.217 119.586 119.800 0.005 0.000 2.046 29 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 29 Q C 2.079 178.077 176.000 -0.005 0.000 0.975 29 Q CA 1.357 57.136 55.803 -0.040 0.000 0.836 29 Q CB -0.510 28.147 28.738 -0.135 0.000 0.896 29 Q HN 0.186 nan 8.270 nan 0.000 0.428 30 I N 0.666 121.238 120.570 0.003 0.000 2.142 30 I HA -0.331 3.839 4.170 0.000 0.000 0.240 30 I C 2.229 178.458 176.117 0.187 0.000 1.078 30 I CA 1.154 62.507 61.300 0.089 0.000 1.343 30 I CB -0.203 37.839 38.000 0.070 0.000 1.046 30 I HN 0.245 nan 8.210 nan 0.000 0.405 31 L N 0.026 121.392 121.223 0.238 0.000 2.179 31 L HA -0.005 4.335 4.340 0.000 0.000 0.208 31 L C 2.664 179.610 176.870 0.126 0.000 1.096 31 L CA 1.140 56.112 54.840 0.220 0.000 0.779 31 L CB -1.124 41.085 42.059 0.249 0.000 0.922 31 L HN 0.278 nan 8.230 nan 0.000 0.443 32 G N -0.007 108.850 108.800 0.096 0.000 2.418 32 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 32 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 32 G C 1.765 176.693 174.900 0.047 0.000 1.158 32 G CA 0.558 45.694 45.100 0.058 0.000 0.771 32 G HN 0.222 nan 8.290 nan 0.000 0.545 33 R N -0.154 120.375 120.500 0.049 0.000 2.105 33 R HA 0.030 4.370 4.340 0.000 0.000 0.239 33 R C 2.531 178.858 176.300 0.045 0.000 1.135 33 R CA 1.069 57.192 56.100 0.039 0.000 0.967 33 R CB -0.291 30.029 30.300 0.034 0.000 0.861 33 R HN 0.414 nan 8.270 nan 0.000 0.442 34 L N -0.152 121.112 121.223 0.068 0.000 2.109 34 L HA -0.101 4.239 4.340 0.000 0.000 0.207 34 L C 2.509 179.398 176.870 0.033 0.000 1.086 34 L CA 1.641 56.512 54.840 0.052 0.000 0.760 34 L CB -0.558 41.545 42.059 0.075 0.000 0.910 34 L HN 0.346 nan 8.230 nan 0.000 0.437 35 T N -4.505 110.073 114.554 0.041 0.000 3.051 35 T HA -0.133 4.217 4.350 0.000 0.000 0.269 35 T C 1.207 175.917 174.700 0.017 0.000 1.127 35 T CA 0.941 63.056 62.100 0.025 0.000 1.107 35 T CB -0.309 68.576 68.868 0.029 0.000 0.898 35 T HN 0.172 nan 8.240 nan 0.000 0.517 36 D N 1.709 122.121 120.400 0.019 0.000 2.340 36 D HA 0.115 4.755 4.640 0.000 0.000 0.220 36 D C 0.351 176.654 176.300 0.006 0.000 1.039 36 D CA 0.041 54.048 54.000 0.011 0.000 0.866 36 D CB -0.479 40.328 40.800 0.011 0.000 0.913 36 D HN 0.572 nan 8.370 nan 0.000 0.523 37 N N 0.084 118.787 118.700 0.005 0.000 2.776 37 N HA -0.197 4.543 4.740 0.000 0.000 0.249 37 N C -0.411 175.099 175.510 -0.001 0.000 1.111 37 N CA 0.426 53.475 53.050 -0.002 0.000 0.711 37 N CB -0.715 37.769 38.487 -0.005 0.000 1.065 37 N HN 0.179 nan 8.380 nan 0.000 0.556 38 R N 0.170 120.673 120.500 0.005 0.000 2.720 38 R HA 0.384 4.724 4.340 0.000 0.000 0.272 38 R C -0.388 175.917 176.300 0.008 0.000 0.991 38 R CA -0.922 55.181 56.100 0.005 0.000 1.010 38 R CB 0.977 31.281 30.300 0.008 0.000 1.141 38 R HN 0.033 nan 8.270 nan 0.000 0.494 39 D N 1.208 121.612 120.400 0.005 0.000 2.357 39 D HA 0.112 4.752 4.640 0.000 0.000 0.242 39 D C 0.240 176.552 176.300 0.020 0.000 1.153 39 D CA 0.064 54.069 54.000 0.009 0.000 0.918 39 D CB 0.729 41.531 40.800 0.004 0.000 1.181 39 D HN 0.178 nan 8.370 nan 0.000 0.435 40 L N 0.784 122.027 121.223 0.034 0.000 2.436 40 L HA 0.345 4.685 4.340 0.000 0.000 0.265 40 L C 0.820 177.704 176.870 0.023 0.000 1.168 40 L CA -0.657 54.210 54.840 0.045 0.000 0.815 40 L CB 0.574 42.686 42.059 0.089 0.000 1.109 40 L HN 0.332 nan 8.230 nan 0.000 0.462 41 A N 2.409 125.235 122.820 0.009 0.000 2.322 41 A HA 0.333 4.653 4.320 0.000 0.000 0.269 41 A C 0.192 177.776 177.584 -0.001 0.000 1.094 41 A CA -0.454 51.580 52.037 -0.005 0.000 0.807 41 A CB 0.317 19.302 19.000 -0.024 0.000 1.047 41 A HN 0.822 nan 8.150 nan 0.000 0.487 42 R N 0.498 120.997 120.500 -0.002 0.000 2.566 42 R HA 0.228 4.568 4.340 0.000 0.000 0.273 42 R C 1.387 177.685 176.300 -0.003 0.000 0.981 42 R CA 1.835 57.936 56.100 0.002 0.000 1.091 42 R CB -0.189 30.109 30.300 -0.003 0.000 0.924 42 R HN 1.827 nan 8.270 nan 0.000 0.411 43 G N 2.090 110.897 108.800 0.012 0.000 2.304 43 G HA2 -0.387 3.573 3.960 0.000 0.000 0.252 43 G HA3 -0.387 3.573 3.960 0.000 0.000 0.252 43 G C 0.871 175.793 174.900 0.037 0.000 1.014 43 G CA 0.556 45.668 45.100 0.020 0.000 0.619 43 G HN 0.685 nan 8.290 nan 0.000 0.525 44 Q N 0.168 119.978 119.800 0.016 0.000 2.050 44 Q HA 0.125 4.465 4.340 0.000 0.000 0.202 44 Q C 3.157 179.207 176.000 0.085 0.000 0.980 44 Q CA 2.149 57.959 55.803 0.011 0.000 0.840 44 Q CB -0.279 28.458 28.738 -0.002 0.000 0.898 44 Q HN 0.853 nan 8.270 nan 0.000 0.424 45 A N 0.897 123.801 122.820 0.139 0.000 1.902 45 A HA -0.144 4.176 4.320 0.000 0.000 0.217 45 A C 2.265 179.930 177.584 0.135 0.000 1.181 45 A CA 1.628 53.807 52.037 0.237 0.000 0.623 45 A CB -0.802 18.344 19.000 0.242 0.000 0.818 45 A HN 0.425 nan 8.150 nan 0.000 0.443 46 A N -1.538 121.337 122.820 0.092 0.000 1.902 46 A HA -0.180 4.140 4.320 0.000 0.000 0.217 46 A C 2.023 179.618 177.584 0.018 0.000 1.181 46 A CA 1.568 53.636 52.037 0.052 0.000 0.623 46 A CB -0.906 18.121 19.000 0.046 0.000 0.818 46 A HN 0.880 nan 8.150 nan 0.000 0.443 47 W N 0.800 122.003 121.300 -0.162 0.000 2.381 47 W HA 0.213 4.873 4.660 0.000 0.000 0.301 47 W C 1.503 177.795 176.519 -0.378 0.000 1.205 47 W CA 0.998 58.202 57.345 -0.235 0.000 1.285 47 W CB -0.254 29.052 29.460 -0.257 0.000 1.133 47 W HN 0.396 nan 8.180 nan 0.000 0.521 51 Q N 0.901 120.376 119.800 -0.543 0.000 2.045 51 Q HA -0.040 4.300 4.340 0.000 0.000 0.206 51 Q C 1.125 177.005 176.000 -0.200 0.000 0.991 51 Q CA 1.043 56.560 55.803 -0.477 0.000 0.851 51 Q CB -0.275 28.029 28.738 -0.723 0.000 0.911 51 Q HN 0.499 nan 8.270 nan 0.000 0.418 55 G N 2.206 110.936 108.800 -0.117 0.000 2.212 55 G HA2 -0.364 3.596 3.960 0.000 0.000 0.267 55 G HA3 -0.364 3.596 3.960 0.000 0.000 0.267 55 G C 0.539 175.406 174.900 -0.056 0.000 1.002 55 G CA 0.635 45.691 45.100 -0.073 0.000 0.729 55 G HN 0.740 nan 8.290 nan 0.000 0.517 56 N N 0.257 118.917 118.700 -0.066 0.000 2.314 56 N HA 0.495 5.235 4.740 0.000 0.000 0.200 56 N C 0.761 176.277 175.510 0.011 0.000 1.135 56 N CA 0.998 54.025 53.050 -0.038 0.000 0.835 56 N CB 0.055 38.500 38.487 -0.070 0.000 0.989 56 N HN 0.850 nan 8.380 nan 0.000 0.478 57 A N -0.763 122.058 122.820 0.002 0.000 2.374 57 A HA 0.831 5.151 4.320 0.000 0.000 0.317 57 A C 0.194 177.717 177.584 -0.101 0.000 1.094 57 A CA -0.686 51.345 52.037 -0.010 0.000 0.765 57 A CB 0.917 19.951 19.000 0.057 0.000 1.268 57 A HN 0.355 nan 8.150 nan 0.000 0.438 58 R N 1.959 122.347 120.500 -0.186 0.000 2.531 58 R HA 0.600 4.940 4.340 0.000 0.000 0.273 58 R C -2.063 174.139 176.300 -0.163 0.000 1.070 58 R CA -1.152 54.859 56.100 -0.148 0.000 1.112 58 R CB -1.268 28.944 30.300 -0.148 0.000 1.049 58 R HN 0.626 nan 8.270 nan 0.000 0.508 59 P HA -0.296 nan 4.420 nan 0.000 0.218 59 P C 1.402 178.643 177.300 -0.098 0.000 1.154 59 P CA 2.536 65.590 63.100 -0.077 0.000 0.872 59 P CB 0.160 31.830 31.700 -0.050 0.000 0.790 60 A N -0.817 121.931 122.820 -0.121 0.000 1.902 60 A HA -0.288 4.032 4.320 0.000 0.000 0.217 60 A C 2.251 179.727 177.584 -0.180 0.000 1.181 60 A CA 1.808 53.772 52.037 -0.123 0.000 0.623 60 A CB -1.284 17.649 19.000 -0.112 0.000 0.818 60 A HN 0.215 nan 8.150 nan 0.000 0.443 61 Q N -0.543 119.052 119.800 -0.340 0.000 2.020 61 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 61 Q C 2.062 177.814 176.000 -0.412 0.000 0.982 61 Q CA 1.758 57.171 55.803 -0.650 0.000 0.838 61 Q CB -0.363 27.594 28.738 -1.302 0.000 0.899 61 Q HN 0.752 nan 8.270 nan 0.000 0.423 62 I N 0.604 121.034 120.570 -0.234 0.000 2.163 62 I HA -0.307 3.863 4.170 0.000 0.000 0.243 62 I C 2.423 178.597 176.117 0.094 0.000 1.085 62 I CA 1.197 62.533 61.300 0.059 0.000 1.347 62 I CB -0.455 37.597 38.000 0.087 0.000 1.044 62 I HN 0.174 nan 8.210 nan 0.000 0.408 63 A N 0.688 123.507 122.820 -0.001 0.000 1.873 63 A HA -0.108 4.212 4.320 0.000 0.000 0.215 63 A C 2.575 180.146 177.584 -0.022 0.000 1.186 63 A CA 1.760 53.785 52.037 -0.021 0.000 0.616 63 A CB -1.047 17.932 19.000 -0.035 0.000 0.823 63 A HN 0.407 nan 8.150 nan 0.000 0.442 64 A N -1.073 121.741 122.820 -0.010 0.000 1.892 64 A HA -0.150 4.170 4.320 0.000 0.000 0.218 64 A C 2.107 179.745 177.584 0.091 0.000 1.188 64 A CA 1.913 53.964 52.037 0.024 0.000 0.631 64 A CB -0.781 18.235 19.000 0.027 0.000 0.822 64 A HN 0.774 nan 8.150 nan 0.000 0.447 65 F N 0.582 120.546 119.950 0.024 0.000 2.163 65 F HA 0.125 4.652 4.527 0.000 0.000 0.297 65 F C 2.465 178.260 175.800 -0.008 0.000 1.094 65 F CA 1.000 59.077 58.000 0.127 0.000 1.290 65 F CB -0.402 38.828 39.000 0.385 0.000 1.017 65 F HN 0.233 nan 8.300 nan 0.000 0.483 66 A N -0.208 122.535 122.820 -0.129 0.000 1.930 66 A HA -0.086 4.234 4.320 0.000 0.000 0.217 66 A C 2.269 179.576 177.584 -0.462 0.000 1.175 66 A CA 1.850 53.518 52.037 -0.615 0.000 0.627 66 A CB -1.296 17.318 19.000 -0.644 0.000 0.815 66 A HN 0.270 nan 8.150 nan 0.000 0.443 67 V N -0.049 119.710 119.914 -0.258 0.000 2.323 67 V HA -0.023 4.097 4.120 0.000 0.000 0.244 67 V C 1.988 177.969 176.094 -0.189 0.000 1.041 67 V CA 1.002 63.186 62.300 -0.193 0.000 1.025 67 V CB -1.323 30.430 31.823 -0.116 0.000 0.656 67 V HN 0.647 nan 8.190 nan 0.000 0.451 73 A N 4.415 127.191 122.820 -0.072 0.000 2.540 73 A HA 0.277 4.597 4.320 0.000 0.000 0.239 73 A C -2.103 175.438 177.584 -0.071 0.000 1.061 73 A CA -0.570 51.425 52.037 -0.071 0.000 0.758 73 A CB -0.521 18.451 19.000 -0.047 0.000 0.991 73 A HN 0.395 nan 8.150 nan 0.000 0.502 74 P HA 0.185 nan 4.420 nan 0.000 0.269 74 P C -0.040 177.229 177.300 -0.051 0.000 1.209 74 P CA 0.258 63.316 63.100 -0.072 0.000 0.776 74 P CB 0.626 32.277 31.700 -0.081 0.000 0.876 75 T N -2.000 112.530 114.554 -0.040 0.000 2.885 75 T HA 0.572 4.922 4.350 0.000 0.000 0.285 75 T C 1.253 175.935 174.700 -0.030 0.000 1.019 75 T CA -0.286 61.797 62.100 -0.029 0.000 1.010 75 T CB 1.655 70.514 68.868 -0.015 0.000 1.022 75 T HN 0.310 nan 8.240 nan 0.000 0.466 76 A N 2.217 125.019 122.820 -0.030 0.000 1.892 76 A HA -0.124 4.196 4.320 0.000 0.000 0.218 76 A C 1.932 179.499 177.584 -0.027 0.000 1.188 76 A CA 2.093 54.109 52.037 -0.035 0.000 0.631 76 A CB -1.095 17.890 19.000 -0.026 0.000 0.822 76 A HN 0.914 nan 8.150 nan 0.000 0.447 77 D N -0.419 119.973 120.400 -0.013 0.000 2.117 77 D HA -0.126 4.514 4.640 0.000 0.000 0.197 77 D C 1.969 178.273 176.300 0.006 0.000 0.987 77 D CA 1.595 55.592 54.000 -0.004 0.000 0.829 77 D CB -0.446 40.355 40.800 0.002 0.000 0.961 77 D HN 0.698 nan 8.370 nan 0.000 0.460 78 E N 0.258 120.466 120.200 0.012 0.000 2.028 78 E HA -0.092 4.258 4.350 0.000 0.000 0.191 78 E C 2.351 178.973 176.600 0.038 0.000 0.988 78 E CA 0.570 56.993 56.400 0.038 0.000 0.799 78 E CB 0.027 29.750 29.700 0.038 0.000 0.755 78 E HN 0.029 nan 8.360 nan 0.000 0.447 79 V N 1.087 121.004 119.914 0.005 0.000 2.332 79 V HA -0.239 3.881 4.120 0.000 0.000 0.248 79 V C 2.343 178.423 176.094 -0.023 0.000 1.055 79 V CA 2.049 64.344 62.300 -0.008 0.000 1.038 79 V CB -1.036 30.763 31.823 -0.040 0.000 0.651 79 V HN 0.449 nan 8.190 nan 0.000 0.450 80 G N -0.935 107.842 108.800 -0.037 0.000 2.432 80 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 80 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 80 G C 1.464 176.352 174.900 -0.021 0.000 1.135 80 G CA 0.752 45.822 45.100 -0.050 0.000 0.767 80 G HN 0.566 nan 8.290 nan 0.000 0.550 81 E N 0.062 120.266 120.200 0.007 0.000 2.031 81 E HA -0.064 4.286 4.350 0.000 0.000 0.193 81 E C 2.619 179.242 176.600 0.039 0.000 0.994 81 E CA 0.658 57.075 56.400 0.028 0.000 0.800 81 E CB -0.228 29.503 29.700 0.053 0.000 0.752 81 E HN 0.377 nan 8.360 nan 0.000 0.447 82 L N 0.725 121.989 121.223 0.067 0.000 1.990 82 L HA -0.262 4.078 4.340 0.000 0.000 0.213 82 L C 2.667 179.548 176.870 0.018 0.000 1.072 82 L CA 1.401 56.286 54.840 0.076 0.000 0.755 82 L CB -0.623 41.517 42.059 0.134 0.000 0.889 82 L HN 0.159 nan 8.230 nan 0.000 0.432 83 A N 0.145 122.964 122.820 -0.002 0.000 1.902 83 A HA -0.118 4.202 4.320 0.000 0.000 0.217 83 A C 2.402 179.973 177.584 -0.022 0.000 1.181 83 A CA 1.788 53.809 52.037 -0.027 0.000 0.623 83 A CB -1.289 17.670 19.000 -0.069 0.000 0.818 83 A HN 0.473 nan 8.150 nan 0.000 0.443 84 G N -0.537 108.250 108.800 -0.023 0.000 2.402 84 G HA2 0.112 4.072 3.960 0.000 0.000 0.216 84 G HA3 0.112 4.072 3.960 0.000 0.000 0.216 84 G C 0.962 175.854 174.900 -0.013 0.000 1.162 84 G CA 0.881 45.968 45.100 -0.023 0.000 0.777 84 G HN 0.331 nan 8.290 nan 0.000 0.539 88 S N -1.185 114.488 115.700 -0.046 0.000 2.447 88 S HA -0.107 4.363 4.470 0.000 0.000 0.233 88 S C 1.578 176.025 174.600 -0.254 0.000 1.006 88 S CA 1.267 59.374 58.200 -0.156 0.000 0.957 88 S CB -0.678 62.383 63.200 -0.232 0.000 0.773 88 S HN 0.578 nan 8.310 nan 0.000 0.507 89 H N 1.266 120.328 119.070 -0.014 0.000 2.539 89 H HA 0.501 5.057 4.556 0.000 0.000 0.267 89 H C 1.073 176.387 175.328 -0.023 0.000 0.982 89 H CA 0.513 56.545 56.048 -0.026 0.000 1.146 89 H CB -0.214 29.538 29.762 -0.017 0.000 1.382 89 H HN 0.587 nan 8.280 nan 0.000 0.577 90 A N 1.009 123.879 122.820 0.084 0.000 2.302 90 A HA 0.229 4.549 4.320 0.000 0.000 0.285 90 A C -0.099 177.470 177.584 -0.025 0.000 1.105 90 A CA -0.479 51.577 52.037 0.033 0.000 0.816 90 A CB 0.410 19.385 19.000 -0.042 0.000 1.067 90 A HN 0.346 nan 8.150 nan 0.000 0.489 91 H N 2.047 121.108 119.070 -0.015 0.000 2.803 91 H HA 0.164 4.720 4.556 0.000 0.000 0.330 91 H C -1.949 173.448 175.328 0.115 0.000 1.057 91 H CA -0.541 55.502 56.048 -0.007 0.000 1.458 91 H CB 0.506 30.158 29.762 -0.183 0.000 1.470 91 H HN 0.537 nan 8.280 nan 0.000 0.560 92 P HA 0.062 nan 4.420 nan 0.000 0.276 92 P C -0.149 177.280 177.300 0.214 0.000 1.261 92 P CA -0.621 62.565 63.100 0.142 0.000 0.800 92 P CB 1.164 32.900 31.700 0.061 0.000 1.066 93 L N 1.606 122.930 121.223 0.168 0.000 2.453 93 L HA 0.350 4.690 4.340 0.000 0.000 0.261 93 L C -1.822 175.103 176.870 0.090 0.000 1.179 93 L CA -1.450 53.482 54.840 0.152 0.000 0.813 93 L CB -1.139 40.979 42.059 0.097 0.000 1.110 93 L HN 0.328 nan 8.230 nan 0.000 0.466 94 P HA 0.107 nan 4.420 nan 0.000 0.266 94 P C -0.899 176.422 177.300 0.036 0.000 1.195 94 P CA -0.379 62.752 63.100 0.051 0.000 0.768 94 P CB 0.331 32.060 31.700 0.049 0.000 0.838 95 A N 3.023 125.859 122.820 0.026 0.000 2.603 95 A HA -0.003 4.317 4.320 0.000 0.000 0.235 95 A C 0.702 178.295 177.584 0.015 0.000 1.035 95 A CA 0.536 52.583 52.037 0.017 0.000 0.755 95 A CB -0.765 18.242 19.000 0.012 0.000 0.954 95 A HN 0.742 nan 8.150 nan 0.000 0.511 96 D N 0.698 121.104 120.400 0.010 0.000 2.800 96 D HA -0.121 4.519 4.640 0.000 0.000 0.232 96 D C 0.588 176.893 176.300 0.008 0.000 1.137 96 D CA 1.793 55.797 54.000 0.007 0.000 0.718 96 D CB -1.503 39.301 40.800 0.007 0.000 1.084 96 D HN 0.643 nan 8.370 nan 0.000 0.432 97 T N -1.540 113.020 114.554 0.009 0.000 2.969 97 T HA 0.189 4.539 4.350 0.000 0.000 0.258 97 T C 0.491 175.190 174.700 -0.002 0.000 0.962 97 T CA 0.199 62.305 62.100 0.009 0.000 0.903 97 T CB 0.840 69.723 68.868 0.025 0.000 1.177 97 T HN -0.003 nan 8.240 nan 0.000 0.511 98 V N 4.470 124.381 119.914 -0.005 0.000 2.383 98 V HA 0.390 4.510 4.120 0.000 0.000 0.275 98 V C -2.208 173.878 176.094 -0.015 0.000 1.036 98 V CA -1.992 60.298 62.300 -0.016 0.000 0.889 98 V CB 0.823 32.635 31.823 -0.018 0.000 0.985 98 V HN 0.232 nan 8.190 nan 0.000 0.459 99 P HA 0.076 nan 4.420 nan 0.000 0.267 99 P C 0.472 177.769 177.300 -0.005 0.000 1.201 99 P CA -0.141 62.952 63.100 -0.011 0.000 0.775 99 P CB 0.569 32.262 31.700 -0.012 0.000 0.854 100 D N 0.850 121.249 120.400 -0.003 0.000 2.182 100 D HA -0.158 4.482 4.640 0.000 0.000 0.201 100 D C 0.901 177.198 176.300 -0.005 0.000 0.986 100 D CA 1.416 55.412 54.000 -0.006 0.000 0.847 100 D CB -0.291 40.502 40.800 -0.011 0.000 0.942 100 D HN 0.573 nan 8.370 nan 0.000 0.467 101 D N -0.071 120.340 120.400 0.018 0.000 2.388 101 D HA 0.172 4.812 4.640 0.000 0.000 0.221 101 D C 0.265 176.637 176.300 0.120 0.000 1.133 101 D CA -0.338 53.693 54.000 0.052 0.000 0.831 101 D CB -0.273 40.597 40.800 0.116 0.000 0.962 101 D HN -0.060 nan 8.370 nan 0.000 0.502 102 A N 0.622 123.467 122.820 0.041 0.000 2.498 102 A HA 0.448 4.768 4.320 0.000 0.000 0.239 102 A C 0.535 178.128 177.584 0.016 0.000 1.068 102 A CA -0.226 51.818 52.037 0.011 0.000 0.766 102 A CB 0.559 19.547 19.000 -0.020 0.000 1.003 102 A HN 0.399 nan 8.150 nan 0.000 0.497 103 V N -0.267 119.643 119.914 -0.007 0.000 2.864 103 V HA 0.752 4.872 4.120 0.000 0.000 0.314 103 V C -0.614 175.464 176.094 -0.027 0.000 1.073 103 V CA -0.991 61.299 62.300 -0.017 0.000 0.956 103 V CB 1.928 33.739 31.823 -0.021 0.000 1.023 103 V HN 0.814 nan 8.190 nan 0.000 0.435 104 D N 1.046 121.432 120.400 -0.022 0.000 2.269 104 D HA 0.699 5.339 4.640 0.000 0.000 0.244 104 D C -1.158 175.139 176.300 -0.004 0.000 0.992 104 D CA -0.332 53.670 54.000 0.004 0.000 0.894 104 D CB 2.196 43.016 40.800 0.034 0.000 1.248 104 D HN 0.578 nan 8.370 nan 0.000 0.468 105 V N 2.848 122.778 119.914 0.026 0.000 2.462 105 V HA 0.592 4.713 4.120 0.000 0.000 0.288 105 V C -0.590 175.541 176.094 0.062 0.000 1.020 105 V CA -0.705 61.609 62.300 0.024 0.000 0.857 105 V CB 1.492 33.320 31.823 0.009 0.000 1.013 105 V HN 0.414 nan 8.190 nan 0.000 0.431 106 V N 3.437 123.388 119.914 0.062 0.000 3.022 106 V HA 0.841 4.961 4.120 0.000 0.000 0.272 106 V C -0.214 175.929 176.094 0.081 0.000 1.584 106 V CA 0.493 62.844 62.300 0.086 0.000 0.974 106 V CB 2.259 34.153 31.823 0.118 0.000 1.219 106 V HN 0.999 nan 8.190 nan 0.000 0.450 107 G N 1.780 110.625 108.800 0.074 0.000 2.714 107 G HA2 0.538 4.498 3.960 0.000 0.000 0.292 107 G HA3 0.538 4.498 3.960 0.000 0.000 0.292 107 G C 0.907 175.849 174.900 0.070 0.000 1.308 107 G CA 0.328 45.470 45.100 0.071 0.000 0.964 107 G HN 1.426 nan 8.290 nan 0.000 0.484 108 T N -1.990 112.605 114.554 0.069 0.000 2.849 108 T HA 0.249 4.599 4.350 0.000 0.000 0.270 108 T C 1.781 176.516 174.700 0.058 0.000 1.066 108 T CA 1.411 63.561 62.100 0.084 0.000 1.130 108 T CB -0.782 68.160 68.868 0.123 0.000 0.864 108 T HN 2.357 nan 8.240 nan 0.000 0.481 109 G N 1.096 109.906 108.800 0.017 0.000 2.601 109 G HA2 0.199 4.159 3.960 0.000 0.000 0.261 109 G HA3 0.199 4.159 3.960 0.000 0.000 0.261 109 G C 0.765 175.634 174.900 -0.052 0.000 1.289 109 G CA 0.306 45.404 45.100 -0.004 0.000 0.920 109 G HN 1.829 nan 8.290 nan 0.000 0.571 110 G N -0.924 107.866 108.800 -0.017 0.000 2.198 110 G HA2 -0.054 3.907 3.960 0.000 0.000 0.257 110 G HA3 -0.054 3.907 3.960 0.000 0.000 0.257 110 G C 0.701 175.526 174.900 -0.126 0.000 1.042 110 G CA 1.344 46.444 45.100 -0.000 0.000 0.791 110 G HN 2.074 nan 8.290 nan 0.000 0.502 111 D N 0.032 120.364 120.400 -0.113 0.000 2.339 111 D HA 0.253 4.893 4.640 0.000 0.000 0.217 111 D C 1.610 177.895 176.300 -0.026 0.000 1.050 111 D CA 0.490 54.433 54.000 -0.095 0.000 0.856 111 D CB -0.653 40.093 40.800 -0.089 0.000 0.922 111 D HN 1.427 nan 8.370 nan 0.000 0.518 112 G N 1.037 109.835 108.800 -0.003 0.000 2.451 112 G HA2 -0.276 3.684 3.960 0.000 0.000 0.296 112 G HA3 -0.276 3.684 3.960 0.000 0.000 0.296 112 G C 0.856 175.761 174.900 0.009 0.000 0.922 112 G CA 0.707 45.816 45.100 0.015 0.000 1.074 112 G HN 0.355 nan 8.290 nan 0.000 0.509 113 V N -0.193 119.721 119.914 -0.000 0.000 2.949 113 V HA 0.115 4.235 4.120 0.000 0.000 0.245 113 V C 1.280 177.376 176.094 0.003 0.000 1.086 113 V CA 0.904 63.204 62.300 -0.001 0.000 1.097 113 V CB -0.457 31.359 31.823 -0.011 0.000 0.762 113 V HN 1.130 nan 8.190 nan 0.000 0.470 114 N N 1.862 120.565 118.700 0.004 0.000 2.482 114 N HA -0.169 4.571 4.740 0.000 0.000 0.288 114 N C -0.247 175.265 175.510 0.003 0.000 1.319 114 N CA 0.883 53.937 53.050 0.006 0.000 0.671 114 N CB -0.933 37.559 38.487 0.008 0.000 0.911 114 N HN 0.732 nan 8.380 nan 0.000 0.531 115 T N -1.197 113.358 114.554 0.002 0.000 2.948 115 T HA 0.739 5.089 4.350 0.000 0.000 0.285 115 T C 0.982 175.685 174.700 0.004 0.000 1.019 115 T CA -0.449 61.652 62.100 0.002 0.000 1.013 115 T CB 1.045 69.911 68.868 -0.003 0.000 1.117 115 T HN 0.991 nan 8.240 nan 0.000 0.533 116 V N 0.352 120.269 119.914 0.005 0.000 3.209 116 V HA 0.163 4.283 4.120 0.000 0.000 0.305 116 V C 0.169 176.268 176.094 0.008 0.000 1.127 116 V CA -0.771 61.533 62.300 0.006 0.000 1.235 116 V CB -0.764 31.064 31.823 0.008 0.000 0.987 116 V HN 0.905 nan 8.190 nan 0.000 0.499 117 N N 2.739 121.444 118.700 0.010 0.000 2.549 117 N HA 0.319 5.059 4.740 0.000 0.000 0.267 117 N C 0.860 176.381 175.510 0.019 0.000 1.182 117 N CA -0.190 52.869 53.050 0.016 0.000 1.019 117 N CB 0.399 38.896 38.487 0.017 0.000 1.380 117 N HN 0.685 nan 8.380 nan 0.000 0.505 118 L N 0.031 121.263 121.223 0.015 0.000 2.042 118 L HA -0.232 4.108 4.340 0.000 0.000 0.210 118 L C 2.062 178.943 176.870 0.019 0.000 1.076 118 L CA 1.155 56.002 54.840 0.012 0.000 0.749 118 L CB -0.364 41.696 42.059 0.002 0.000 0.893 118 L HN 0.488 nan 8.230 nan 0.000 0.432 119 S N -1.057 114.659 115.700 0.027 0.000 2.382 119 S HA -0.094 4.376 4.470 0.000 0.000 0.228 119 S C 1.188 175.820 174.600 0.053 0.000 1.027 119 S CA 0.867 59.090 58.200 0.038 0.000 0.991 119 S CB -0.143 63.090 63.200 0.054 0.000 0.823 119 S HN 0.433 nan 8.310 nan 0.000 0.469 123 A N 0.823 123.651 122.820 0.013 0.000 1.877 123 A HA -0.002 4.318 4.320 0.000 0.000 0.216 123 A C 1.939 179.502 177.584 -0.036 0.000 1.186 123 A CA 1.830 53.867 52.037 -0.001 0.000 0.620 123 A CB -0.782 18.251 19.000 0.055 0.000 0.822 123 A HN 0.632 nan 8.150 nan 0.000 0.443 124 I N -0.372 120.204 120.570 0.010 0.000 2.226 124 I HA -0.222 3.948 4.170 0.000 0.000 0.245 124 I C 2.329 178.426 176.117 -0.033 0.000 1.100 124 I CA 1.179 62.479 61.300 -0.000 0.000 1.374 124 I CB -0.344 37.713 38.000 0.096 0.000 1.057 124 I HN 0.162 nan 8.210 nan 0.000 0.413 125 V N 0.307 120.208 119.914 -0.021 0.000 2.307 125 V HA -0.222 3.898 4.120 0.000 0.000 0.245 125 V C 2.463 178.516 176.094 -0.067 0.000 1.045 125 V CA 1.514 63.794 62.300 -0.034 0.000 1.024 125 V CB -0.475 31.338 31.823 -0.018 0.000 0.651 125 V HN 0.229 nan 8.190 nan 0.000 0.449 126 V N 0.561 120.426 119.914 -0.081 0.000 2.287 126 V HA -0.311 3.809 4.120 0.000 0.000 0.248 126 V C 2.775 178.785 176.094 -0.140 0.000 1.053 126 V CA 2.193 64.423 62.300 -0.117 0.000 1.027 126 V CB -1.346 30.405 31.823 -0.120 0.000 0.646 126 V HN 0.560 nan 8.190 nan 0.000 0.447 127 A N 0.164 122.897 122.820 -0.145 0.000 1.892 127 A HA -0.218 4.102 4.320 0.000 0.000 0.218 127 A C 2.400 179.897 177.584 -0.145 0.000 1.188 127 A CA 2.538 54.471 52.037 -0.174 0.000 0.631 127 A CB -0.952 17.912 19.000 -0.228 0.000 0.822 127 A HN 0.645 nan 8.150 nan 0.000 0.447 128 A N -0.612 122.141 122.820 -0.111 0.000 2.067 128 A HA 0.268 4.588 4.320 0.000 0.000 0.219 128 A C 2.287 179.823 177.584 -0.080 0.000 1.158 128 A CA 1.644 53.632 52.037 -0.082 0.000 0.661 128 A CB -0.759 18.211 19.000 -0.051 0.000 0.801 128 A HN 1.132 nan 8.150 nan 0.000 0.452 129 A N -1.629 121.134 122.820 -0.095 0.000 2.209 129 A HA 0.364 4.684 4.320 0.000 0.000 0.212 129 A C 1.805 179.314 177.584 -0.124 0.000 1.158 129 A CA 1.355 53.331 52.037 -0.102 0.000 0.742 129 A CB -0.868 18.061 19.000 -0.119 0.000 0.790 129 A HN 1.855 nan 8.150 nan 0.000 0.472 130 G N -2.160 106.560 108.800 -0.134 0.000 2.144 130 G HA2 -0.151 3.809 3.960 0.000 0.000 0.218 130 G HA3 -0.151 3.809 3.960 0.000 0.000 0.218 130 G C 0.008 174.793 174.900 -0.192 0.000 0.988 130 G CA 0.014 45.031 45.100 -0.139 0.000 0.659 130 G HN 0.787 nan 8.290 nan 0.000 0.522 131 V N 2.186 121.955 119.914 -0.243 0.000 2.383 131 V HA 0.462 4.582 4.120 0.000 0.000 0.275 131 V C -1.649 174.316 176.094 -0.214 0.000 1.036 131 V CA -1.707 60.397 62.300 -0.328 0.000 0.889 131 V CB 1.577 33.128 31.823 -0.453 0.000 0.985 131 V HN 0.134 nan 8.190 nan 0.000 0.459 132 P HA 0.181 nan 4.420 nan 0.000 0.268 132 P C -0.768 176.457 177.300 -0.126 0.000 1.204 132 P CA 0.082 63.100 63.100 -0.136 0.000 0.768 132 P CB 0.709 32.352 31.700 -0.094 0.000 0.842 133 V N 4.477 124.301 119.914 -0.151 0.000 2.540 133 V HA 0.411 4.531 4.120 0.000 0.000 0.302 133 V C -0.206 175.816 176.094 -0.120 0.000 1.035 133 V CA -0.689 61.536 62.300 -0.125 0.000 0.873 133 V CB 2.362 34.100 31.823 -0.141 0.000 0.992 133 V HN 0.334 nan 8.190 nan 0.000 0.428 134 V N 6.391 126.264 119.914 -0.067 0.000 2.447 134 V HA 0.549 4.669 4.120 0.000 0.000 0.292 134 V C -0.216 175.877 176.094 -0.002 0.000 1.021 134 V CA -0.426 61.845 62.300 -0.048 0.000 0.850 134 V CB 1.414 33.191 31.823 -0.076 0.000 1.005 134 V HN 0.927 nan 8.190 nan 0.000 0.426 135 K N 5.307 125.756 120.400 0.081 0.000 2.132 135 K HA 0.647 4.967 4.320 0.000 0.000 0.241 135 K C -0.882 175.701 176.600 -0.029 0.000 1.000 135 K CA -0.777 55.592 56.287 0.136 0.000 0.911 135 K CB 1.253 33.958 32.500 0.340 0.000 1.093 135 K HN 0.905 nan 8.250 nan 0.000 0.460 136 H N -1.466 117.484 119.070 -0.199 0.000 2.980 136 H HA 0.697 5.253 4.556 0.000 0.000 0.367 136 H C -0.755 174.447 175.328 -0.210 0.000 1.206 136 H CA -0.646 55.117 56.048 -0.475 0.000 1.126 136 H CB 1.903 31.447 29.762 -0.363 0.000 1.838 136 H HN 0.761 nan 8.280 nan 0.000 0.552 137 G N 1.158 109.644 108.800 -0.524 0.000 2.348 137 G HA2 0.225 4.185 3.960 0.000 0.000 0.296 137 G HA3 0.225 4.185 3.960 0.000 0.000 0.296 137 G C -1.860 173.139 174.900 0.166 0.000 1.258 137 G CA -0.726 44.321 45.100 -0.087 0.000 0.868 137 G HN 0.765 nan 8.290 nan 0.000 0.488 138 N N -0.643 118.242 118.700 0.308 0.000 2.598 138 N HA 0.398 5.138 4.740 0.000 0.000 0.263 138 N C -0.146 175.579 175.510 0.358 0.000 1.254 138 N CA -0.685 52.541 53.050 0.292 0.000 0.863 138 N CB 2.860 41.387 38.487 0.067 0.000 1.586 138 N HN 0.641 nan 8.380 nan 0.000 0.491 148 A N 1.176 123.990 122.820 -0.010 0.000 1.930 148 A HA 0.071 4.391 4.320 0.000 0.000 0.217 148 A C 1.850 179.334 177.584 -0.168 0.000 1.175 148 A CA 2.350 54.295 52.037 -0.152 0.000 0.627 148 A CB -0.559 18.533 19.000 0.153 0.000 0.815 148 A HN 0.349 nan 8.150 nan 0.000 0.443 149 D N -0.470 119.891 120.400 -0.066 0.000 2.123 149 D HA -0.118 4.522 4.640 0.000 0.000 0.196 149 D C 1.854 178.093 176.300 -0.102 0.000 0.992 149 D CA 1.901 55.857 54.000 -0.072 0.000 0.833 149 D CB -0.667 40.119 40.800 -0.023 0.000 0.954 149 D HN 0.359 nan 8.370 nan 0.000 0.455 150 T N 1.219 115.718 114.554 -0.092 0.000 2.821 150 T HA -0.041 4.309 4.350 0.000 0.000 0.267 150 T C 2.224 176.832 174.700 -0.153 0.000 1.046 150 T CA 0.383 62.426 62.100 -0.094 0.000 1.139 150 T CB -0.125 68.708 68.868 -0.058 0.000 0.871 150 T HN 0.097 nan 8.240 nan 0.000 0.454 151 L N 0.589 121.674 121.223 -0.231 0.000 2.027 151 L HA -0.080 4.260 4.340 0.000 0.000 0.206 151 L C 2.726 179.386 176.870 -0.351 0.000 1.074 151 L CA 1.438 56.060 54.840 -0.363 0.000 0.745 151 L CB -0.537 41.184 42.059 -0.563 0.000 0.898 151 L HN 0.307 nan 8.230 nan 0.000 0.433 152 E N 0.201 120.219 120.200 -0.303 0.000 2.097 152 E HA -0.272 4.079 4.350 0.000 0.000 0.196 152 E C 2.168 178.662 176.600 -0.178 0.000 1.000 152 E CA 1.336 57.593 56.400 -0.238 0.000 0.804 152 E CB -0.205 29.377 29.700 -0.197 0.000 0.740 152 E HN 0.520 nan 8.360 nan 0.000 0.454 153 A N 0.669 123.401 122.820 -0.146 0.000 2.067 153 A HA -0.070 4.250 4.320 0.000 0.000 0.219 153 A C 2.018 179.537 177.584 -0.107 0.000 1.158 153 A CA 0.707 52.680 52.037 -0.106 0.000 0.661 153 A CB -0.280 18.673 19.000 -0.078 0.000 0.801 153 A HN 0.124 nan 8.150 nan 0.000 0.452 154 L N -1.563 119.575 121.223 -0.141 0.000 2.554 154 L HA 0.193 4.533 4.340 0.000 0.000 0.226 154 L C 1.710 178.489 176.870 -0.152 0.000 1.137 154 L CA 0.675 55.434 54.840 -0.134 0.000 0.863 154 L CB -0.024 41.949 42.059 -0.144 0.000 0.985 154 L HN 0.542 nan 8.230 nan 0.000 0.451 155 G N -0.351 108.342 108.800 -0.178 0.000 2.157 155 G HA2 -0.233 3.727 3.960 0.000 0.000 0.239 155 G HA3 -0.233 3.727 3.960 0.000 0.000 0.239 155 G C 0.245 175.002 174.900 -0.237 0.000 0.982 155 G CA -0.066 44.934 45.100 -0.167 0.000 0.650 155 G HN 0.059 nan 8.290 nan 0.000 0.527 156 V N 1.145 120.839 119.914 -0.367 0.000 2.655 156 V HA 0.323 4.443 4.120 0.000 0.000 0.300 156 V C 1.232 177.074 176.094 -0.421 0.000 1.044 156 V CA 0.260 62.216 62.300 -0.573 0.000 1.095 156 V CB 1.411 32.605 31.823 -1.048 0.000 0.952 156 V HN 0.461 nan 8.190 nan 0.000 0.485 157 R N 4.839 125.146 120.500 -0.321 0.000 2.230 157 R HA 0.326 4.666 4.340 0.000 0.000 0.337 157 R C 0.995 177.221 176.300 -0.124 0.000 1.063 157 R CA -0.370 55.623 56.100 -0.178 0.000 0.935 157 R CB 0.368 30.623 30.300 -0.076 0.000 1.121 157 R HN 0.850 nan 8.270 nan 0.000 0.486 158 I N -0.292 120.151 120.570 -0.211 0.000 2.716 158 I HA 0.128 4.298 4.170 0.000 0.000 0.259 158 I C 0.301 176.436 176.117 0.031 0.000 1.172 158 I CA 0.477 61.700 61.300 -0.129 0.000 1.478 158 I CB 0.114 37.882 38.000 -0.388 0.000 1.104 158 I HN 0.393 nan 8.210 nan 0.000 0.439 159 D N 2.203 122.523 120.400 -0.133 0.000 2.524 159 D HA 0.442 5.082 4.640 0.000 0.000 0.222 159 D C -0.604 175.792 176.300 0.159 0.000 1.142 159 D CA -0.177 53.834 54.000 0.017 0.000 0.973 159 D CB 0.188 40.920 40.800 -0.115 0.000 1.025 159 D HN 0.271 nan 8.370 nan 0.000 0.519 160 L N 2.053 123.442 121.223 0.276 0.000 2.354 160 L HA 0.662 5.002 4.340 0.000 0.000 0.269 160 L C 1.174 178.174 176.870 0.216 0.000 1.005 160 L CA -1.375 53.606 54.840 0.235 0.000 0.819 160 L CB 2.082 44.316 42.059 0.292 0.000 1.311 160 L HN 0.300 nan 8.230 nan 0.000 0.423 161 G N 1.136 109.977 108.800 0.069 0.000 2.634 161 G HA2 0.278 4.238 3.960 0.000 0.000 0.255 161 G HA3 0.278 4.238 3.960 0.000 0.000 0.255 161 G C -1.957 172.944 174.900 0.002 0.000 1.205 161 G CA -0.902 44.130 45.100 -0.112 0.000 0.884 161 G HN 0.423 nan 8.290 nan 0.000 0.549 162 P HA -0.133 nan 4.420 nan 0.000 0.217 162 P C 1.759 179.158 177.300 0.164 0.000 1.162 162 P CA 2.434 65.609 63.100 0.125 0.000 0.901 162 P CB -0.176 31.514 31.700 -0.015 0.000 0.793 163 D N -0.478 119.974 120.400 0.086 0.000 2.149 163 D HA -0.138 4.502 4.640 0.000 0.000 0.198 163 D C 1.970 178.351 176.300 0.135 0.000 0.990 163 D CA 1.321 55.378 54.000 0.094 0.000 0.839 163 D CB -1.187 39.649 40.800 0.060 0.000 0.948 163 D HN 0.141 nan 8.370 nan 0.000 0.460 164 L N -0.140 121.183 121.223 0.166 0.000 2.209 164 L HA 0.002 4.342 4.340 0.000 0.000 0.207 164 L C 2.891 179.935 176.870 0.290 0.000 1.094 164 L CA 0.285 55.277 54.840 0.253 0.000 0.790 164 L CB -0.045 42.163 42.059 0.248 0.000 0.932 164 L HN 0.180 nan 8.230 nan 0.000 0.447 165 V N 0.702 120.776 119.914 0.266 0.000 2.332 165 V HA -0.303 3.817 4.120 0.000 0.000 0.248 165 V C 2.838 178.995 176.094 0.104 0.000 1.055 165 V CA 1.962 64.397 62.300 0.226 0.000 1.038 165 V CB -0.907 31.087 31.823 0.284 0.000 0.651 165 V HN 0.480 nan 8.190 nan 0.000 0.450 166 A N -0.294 122.593 122.820 0.111 0.000 1.933 166 A HA -0.243 4.077 4.320 0.000 0.000 0.218 166 A C 2.395 179.996 177.584 0.028 0.000 1.175 166 A CA 2.014 54.085 52.037 0.056 0.000 0.628 166 A CB -0.525 18.519 19.000 0.073 0.000 0.814 166 A HN 0.485 nan 8.150 nan 0.000 0.444 167 R N -0.752 119.795 120.500 0.077 0.000 2.075 167 R HA -0.078 4.262 4.340 0.000 0.000 0.232 167 R C 2.533 178.749 176.300 -0.140 0.000 1.126 167 R CA 1.425 57.574 56.100 0.081 0.000 0.963 167 R CB -0.313 30.144 30.300 0.262 0.000 0.858 167 R HN 0.495 nan 8.270 nan 0.000 0.435 168 S N 0.302 115.793 115.700 -0.348 0.000 2.370 168 S HA -0.114 4.356 4.470 0.000 0.000 0.226 168 S C 1.851 176.187 174.600 -0.439 0.000 1.033 168 S CA 1.075 58.796 58.200 -0.798 0.000 1.011 168 S CB -0.176 62.725 63.200 -0.497 0.000 0.852 168 S HN 0.350 nan 8.310 nan 0.000 0.457 169 L N 0.687 121.768 121.223 -0.237 0.000 2.017 169 L HA -0.090 4.250 4.340 0.000 0.000 0.208 169 L C 2.863 179.637 176.870 -0.159 0.000 1.073 169 L CA 1.371 56.098 54.840 -0.189 0.000 0.745 169 L CB -0.746 41.246 42.059 -0.112 0.000 0.894 169 L HN 0.447 nan 8.230 nan 0.000 0.432 170 A N -0.353 122.399 122.820 -0.114 0.000 1.902 170 A HA -0.233 4.087 4.320 0.000 0.000 0.217 170 A C 2.063 179.594 177.584 -0.090 0.000 1.181 170 A CA 1.855 53.847 52.037 -0.075 0.000 0.623 170 A CB -0.366 18.615 19.000 -0.031 0.000 0.818 170 A HN 0.512 nan 8.150 nan 0.000 0.443 171 E N -1.152 118.972 120.200 -0.128 0.000 2.276 171 E HA 0.050 4.400 4.350 0.000 0.000 0.193 171 E C 1.506 178.028 176.600 -0.131 0.000 0.983 171 E CA 0.893 57.237 56.400 -0.093 0.000 0.861 171 E CB 0.245 29.931 29.700 -0.024 0.000 0.817 171 E HN 0.423 nan 8.360 nan 0.000 0.485 172 V N -0.978 118.792 119.914 -0.240 0.000 3.455 172 V HA 0.228 4.348 4.120 0.000 0.000 0.250 172 V C 1.391 177.339 176.094 -0.245 0.000 1.230 172 V CA 0.714 62.877 62.300 -0.227 0.000 1.105 172 V CB 0.888 32.527 31.823 -0.307 0.000 0.850 172 V HN 0.410 nan 8.190 nan 0.000 0.461 173 G N 0.822 109.468 108.800 -0.257 0.000 2.175 173 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 173 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 173 G C -0.105 174.612 174.900 -0.304 0.000 0.982 173 G CA 0.379 45.340 45.100 -0.231 0.000 0.641 173 G HN 0.473 nan 8.290 nan 0.000 0.527 174 I N -0.263 120.040 120.570 -0.445 0.000 2.827 174 I HA 0.712 4.882 4.170 0.000 0.000 0.298 174 I C 0.123 175.911 176.117 -0.548 0.000 1.235 174 I CA -0.248 60.710 61.300 -0.570 0.000 1.021 174 I CB 1.967 39.434 38.000 -0.889 0.000 1.259 174 I HN 0.383 nan 8.210 nan 0.000 0.427 175 G N 4.541 113.171 108.800 -0.282 0.000 2.708 175 G HA2 0.668 4.628 3.960 0.000 0.000 0.289 175 G HA3 0.668 4.628 3.960 0.000 0.000 0.289 175 G C -2.344 172.701 174.900 0.242 0.000 1.416 175 G CA -0.518 44.587 45.100 0.008 0.000 0.829 175 G HN 0.503 nan 8.290 nan 0.000 0.480 176 F N 0.250 120.326 119.950 0.210 0.000 2.607 176 F HA 0.501 5.028 4.527 0.000 0.000 0.322 176 F C -0.849 175.057 175.800 0.176 0.000 1.176 176 F CA -1.022 57.119 58.000 0.235 0.000 0.977 176 F CB 1.352 40.586 39.000 0.390 0.000 1.242 176 F HN 0.560 nan 8.300 nan 0.000 0.465 177 C N 6.690 125.587 119.300 -0.672 0.000 2.225 177 C HA 0.356 4.816 4.460 0.000 0.000 0.328 177 C C -0.281 174.419 174.990 -0.483 0.000 1.187 177 C CA -0.645 57.945 59.018 -0.712 0.000 1.665 177 C CB -1.032 26.047 27.740 -1.101 0.000 2.253 177 C HN 0.634 nan 8.230 nan 0.000 0.497 178 F N 3.489 123.427 119.950 -0.019 0.000 2.444 178 F HA 0.452 4.979 4.527 0.000 0.000 0.360 178 F C 1.204 177.177 175.800 0.288 0.000 1.106 178 F CA -0.516 57.591 58.000 0.179 0.000 1.170 178 F CB 0.656 39.876 39.000 0.367 0.000 1.113 178 F HN 0.762 nan 8.300 nan 0.000 0.521 179 A N 7.605 130.279 122.820 -0.244 0.000 1.869 179 A HA -0.170 4.150 4.320 0.000 0.000 0.218 179 A C -0.520 177.010 177.584 -0.090 0.000 1.203 179 A CA 2.029 54.043 52.037 -0.038 0.000 0.638 179 A CB -2.070 16.885 19.000 -0.075 0.000 0.831 179 A HN 0.683 nan 8.150 nan 0.000 0.450 180 P HA -0.165 nan 4.420 nan 0.000 0.217 180 P C 1.596 178.840 177.300 -0.093 0.000 1.148 180 P CA 1.675 64.635 63.100 -0.233 0.000 0.828 180 P CB -0.061 31.438 31.700 -0.335 0.000 0.783 181 R N -1.877 118.578 120.500 -0.075 0.000 2.153 181 R HA 0.051 4.391 4.340 0.000 0.000 0.218 181 R C 1.569 177.673 176.300 -0.327 0.000 1.072 181 R CA 1.366 57.397 56.100 -0.114 0.000 0.990 181 R CB -0.759 29.561 30.300 0.034 0.000 0.889 181 R HN 0.147 nan 8.270 nan 0.000 0.452 182 F N -1.920 117.970 119.950 -0.100 0.000 2.602 182 F HA 0.242 4.769 4.527 0.000 0.000 0.284 182 F C 0.592 176.321 175.800 -0.118 0.000 1.111 182 F CA 0.110 58.029 58.000 -0.134 0.000 1.405 182 F CB 0.468 39.298 39.000 -0.283 0.000 1.121 182 F HN 0.008 nan 8.300 nan 0.000 0.603 183 H N 1.313 120.531 119.070 0.247 0.000 2.360 183 H HA 0.241 4.797 4.556 0.000 0.000 0.233 183 H C -1.771 173.606 175.328 0.081 0.000 1.473 183 H CA -1.504 54.634 56.048 0.150 0.000 1.352 183 H CB 0.164 29.989 29.762 0.106 0.000 1.493 183 H HN 0.094 nan 8.280 nan 0.000 0.533 184 P HA -0.103 nan 4.420 nan 0.000 0.216 184 P C 1.615 178.948 177.300 0.055 0.000 1.153 184 P CA 1.017 64.177 63.100 0.100 0.000 0.848 184 P CB 0.225 31.989 31.700 0.107 0.000 0.787 185 S N -0.648 115.076 115.700 0.040 0.000 2.559 185 S HA -0.087 4.383 4.470 0.000 0.000 0.250 185 S C 1.200 175.757 174.600 -0.071 0.000 0.977 185 S CA 0.472 58.645 58.200 -0.045 0.000 0.958 185 S CB -1.964 61.159 63.200 -0.129 0.000 0.751 185 S HN 0.399 nan 8.310 nan 0.000 0.534 186 Y N 0.382 120.668 120.300 -0.024 0.000 2.605 186 Y HA 0.556 5.106 4.550 0.000 0.000 0.336 186 Y C 1.051 176.935 175.900 -0.026 0.000 1.111 186 Y CA 0.319 58.395 58.100 -0.040 0.000 1.422 186 Y CB -1.649 36.798 38.460 -0.022 0.000 1.193 186 Y HN 1.517 nan 8.280 nan 0.000 0.526 195 E N 0.714 120.915 120.200 0.002 0.000 2.494 195 E HA 0.145 4.495 4.350 0.000 0.000 0.193 195 E C 1.199 177.794 176.600 -0.008 0.000 1.074 195 E CA 0.371 56.770 56.400 -0.003 0.000 0.867 195 E CB 0.151 29.847 29.700 -0.006 0.000 0.924 195 E HN 0.508 nan 8.360 nan 0.000 0.502 196 I N -0.013 120.551 120.570 -0.010 0.000 2.406 196 I HA 0.034 4.204 4.170 0.000 0.000 0.249 196 I C 1.943 178.051 176.117 -0.015 0.000 1.122 196 I CA 1.004 62.292 61.300 -0.020 0.000 1.431 196 I CB -1.415 36.567 38.000 -0.031 0.000 1.087 196 I HN 0.271 nan 8.210 nan 0.000 0.424 197 G N 1.575 110.371 108.800 -0.007 0.000 2.212 197 G HA2 -0.195 3.765 3.960 0.000 0.000 0.267 197 G HA3 -0.195 3.765 3.960 0.000 0.000 0.267 197 G C 0.478 175.376 174.900 -0.003 0.000 1.002 197 G CA 0.736 45.835 45.100 -0.001 0.000 0.729 197 G HN 0.599 nan 8.290 nan 0.000 0.517 198 V N -3.143 116.763 119.914 -0.012 0.000 2.789 198 V HA 0.907 5.027 4.120 0.000 0.000 0.311 198 V C -2.157 173.924 176.094 -0.022 0.000 1.073 198 V CA -2.411 59.879 62.300 -0.016 0.000 0.921 198 V CB 2.121 33.927 31.823 -0.029 0.000 1.009 198 V HN 0.087 nan 8.190 nan 0.000 0.426 199 P HA 0.533 nan 4.420 nan 0.000 0.274 199 P C -0.163 177.098 177.300 -0.066 0.000 1.231 199 P CA 0.103 63.195 63.100 -0.013 0.000 0.790 199 P CB 0.938 32.654 31.700 0.025 0.000 0.951 200 T N -3.295 111.202 114.554 -0.095 0.000 2.773 200 T HA 0.216 4.566 4.350 0.000 0.000 0.278 200 T C 0.863 175.466 174.700 -0.161 0.000 1.011 200 T CA -0.598 61.386 62.100 -0.193 0.000 1.014 200 T CB 0.702 69.366 68.868 -0.340 0.000 1.293 200 T HN 0.068 nan 8.240 nan 0.000 0.554 201 V N 0.280 120.057 119.914 -0.228 0.000 2.568 201 V HA -0.068 4.052 4.120 0.000 0.000 0.253 201 V C 1.993 178.136 176.094 0.082 0.000 1.072 201 V CA 1.792 64.024 62.300 -0.113 0.000 1.084 201 V CB -1.418 30.318 31.823 -0.144 0.000 0.676 201 V HN 0.770 nan 8.190 nan 0.000 0.469 202 F N 1.133 121.064 119.950 -0.032 0.000 2.202 202 F HA -0.119 4.408 4.527 0.000 0.000 0.301 202 F C 2.225 178.019 175.800 -0.009 0.000 1.082 202 F CA 1.382 59.377 58.000 -0.008 0.000 1.313 202 F CB -1.207 37.798 39.000 0.009 0.000 1.024 202 F HN 0.384 nan 8.300 nan 0.000 0.495 203 N N 0.099 118.905 118.700 0.177 0.000 2.467 203 N HA 0.029 4.769 4.740 0.000 0.000 0.184 203 N C 1.341 176.912 175.510 0.102 0.000 1.106 203 N CA 0.408 53.526 53.050 0.112 0.000 0.892 203 N CB 0.193 38.732 38.487 0.087 0.000 0.969 203 N HN 0.315 nan 8.380 nan 0.000 0.454 204 L N 0.403 121.690 121.223 0.107 0.000 2.818 204 L HA 0.289 4.629 4.340 0.000 0.000 0.243 204 L C 1.234 178.166 176.870 0.102 0.000 1.185 204 L CA 0.088 55.002 54.840 0.124 0.000 0.988 204 L CB 0.206 42.351 42.059 0.142 0.000 1.292 204 L HN -0.013 nan 8.230 nan 0.000 0.519 205 L N -0.686 120.588 121.223 0.086 0.000 2.693 205 L HA 0.227 4.567 4.340 0.000 0.000 0.235 205 L C 2.327 179.244 176.870 0.079 0.000 1.127 205 L CA 0.238 55.115 54.840 0.063 0.000 0.914 205 L CB -0.001 42.088 42.059 0.049 0.000 1.193 205 L HN 0.319 nan 8.230 nan 0.000 0.502 206 G N 2.217 111.077 108.800 0.100 0.000 2.606 206 G HA2 -0.259 3.701 3.960 0.000 0.000 0.221 206 G HA3 -0.259 3.701 3.960 0.000 0.000 0.221 206 G C -0.702 174.387 174.900 0.314 0.000 1.152 206 G CA 0.949 46.154 45.100 0.175 0.000 0.765 206 G HN 0.304 nan 8.290 nan 0.000 0.595 207 P HA -0.031 nan 4.420 nan 0.000 0.218 207 P C 1.676 179.145 177.300 0.281 0.000 1.148 207 P CA 0.796 64.069 63.100 0.288 0.000 0.822 207 P CB -0.105 31.776 31.700 0.301 0.000 0.784 208 L N -1.764 119.511 121.223 0.087 0.000 2.591 208 L HA 0.099 4.439 4.340 0.000 0.000 0.228 208 L C 1.044 177.899 176.870 -0.026 0.000 1.133 208 L CA 0.934 55.723 54.840 -0.085 0.000 0.880 208 L CB -0.689 41.244 42.059 -0.210 0.000 1.033 208 L HN 0.067 nan 8.230 nan 0.000 0.450 209 T N -5.265 109.307 114.554 0.031 0.000 3.288 209 T HA 0.123 4.473 4.350 0.000 0.000 0.293 209 T C 0.483 175.054 174.700 -0.215 0.000 1.008 209 T CA -0.544 61.556 62.100 -0.000 0.000 0.929 209 T CB -0.336 68.549 68.868 0.028 0.000 1.152 209 T HN -0.003 nan 8.240 nan 0.000 0.517 210 N N 3.451 121.947 118.700 -0.339 0.000 2.434 210 N HA 0.098 4.838 4.740 0.000 0.000 0.268 210 N C -1.562 173.725 175.510 -0.371 0.000 1.256 210 N CA -1.584 51.069 53.050 -0.660 0.000 0.914 210 N CB 1.563 39.898 38.487 -0.255 0.000 1.088 210 N HN 0.069 nan 8.380 nan 0.000 0.478 211 P HA -0.085 nan 4.420 nan 0.000 0.219 211 P C 0.589 177.792 177.300 -0.162 0.000 1.146 211 P CA 1.071 64.026 63.100 -0.242 0.000 0.808 211 P CB 0.080 31.598 31.700 -0.304 0.000 0.779 212 A N -0.199 122.494 122.820 -0.211 0.000 2.209 212 A HA -0.061 4.259 4.320 0.000 0.000 0.212 212 A C 0.948 178.488 177.584 -0.075 0.000 1.158 212 A CA 0.108 52.072 52.037 -0.122 0.000 0.742 212 A CB -1.032 17.883 19.000 -0.141 0.000 0.790 212 A HN 0.078 nan 8.150 nan 0.000 0.472 213 R N -1.405 119.048 120.500 -0.079 0.000 3.301 213 R HA -0.134 4.206 4.340 0.000 0.000 0.249 213 R C -2.282 174.014 176.300 -0.006 0.000 0.964 213 R CA 0.501 56.583 56.100 -0.031 0.000 0.653 213 R CB -2.030 28.259 30.300 -0.018 0.000 1.043 213 R HN 0.481 nan 8.270 nan 0.000 0.454 214 P HA -0.039 nan 4.420 nan 0.000 0.269 214 P C 0.024 177.336 177.300 0.020 0.000 1.215 214 P CA 0.166 63.266 63.100 -0.002 0.000 0.780 214 P CB 0.509 32.203 31.700 -0.011 0.000 0.898 215 R N 0.689 121.194 120.500 0.009 0.000 2.334 215 R HA 0.414 4.754 4.340 0.000 0.000 0.216 215 R C 0.734 177.024 176.300 -0.016 0.000 0.905 215 R CA -0.042 56.068 56.100 0.016 0.000 1.064 215 R CB 0.369 30.675 30.300 0.010 0.000 1.046 215 R HN 0.476 nan 8.270 nan 0.000 0.508 216 A N 0.612 123.412 122.820 -0.034 0.000 2.384 216 A HA 0.856 5.176 4.320 0.000 0.000 0.312 216 A C -0.370 177.156 177.584 -0.096 0.000 1.113 216 A CA -0.535 51.462 52.037 -0.068 0.000 0.779 216 A CB 1.914 20.889 19.000 -0.042 0.000 1.307 216 A HN 0.213 nan 8.150 nan 0.000 0.436 217 G N -1.105 107.608 108.800 -0.146 0.000 2.489 217 G HA2 0.570 4.530 3.960 0.000 0.000 0.291 217 G HA3 0.570 4.530 3.960 0.000 0.000 0.291 217 G C -2.228 172.584 174.900 -0.147 0.000 1.487 217 G CA -0.505 44.506 45.100 -0.149 0.000 0.795 217 G HN 1.447 nan 8.290 nan 0.000 0.513 218 L N 1.538 122.703 121.223 -0.098 0.000 2.316 218 L HA 0.696 5.036 4.340 0.000 0.000 0.280 218 L C -0.795 176.057 176.870 -0.029 0.000 1.006 218 L CA -0.848 53.953 54.840 -0.064 0.000 0.836 218 L CB 1.015 43.041 42.059 -0.056 0.000 1.221 218 L HN 0.386 nan 8.230 nan 0.000 0.418 219 I N 5.110 125.669 120.570 -0.017 0.000 2.354 219 I HA 0.391 4.561 4.170 0.000 0.000 0.286 219 I C 0.862 177.030 176.117 0.085 0.000 1.007 219 I CA -0.409 60.914 61.300 0.038 0.000 1.167 219 I CB 0.969 38.999 38.000 0.051 0.000 1.320 219 I HN 0.707 nan 8.210 nan 0.000 0.458 220 G N 5.194 114.040 108.800 0.078 0.000 2.364 220 G HA2 0.301 4.261 3.960 0.000 0.000 0.267 220 G HA3 0.301 4.261 3.960 0.000 0.000 0.267 220 G C -0.555 174.396 174.900 0.085 0.000 1.233 220 G CA -0.101 45.051 45.100 0.087 0.000 0.885 220 G HN 0.674 nan 8.290 nan 0.000 0.490 221 C N 2.835 122.202 119.300 0.113 0.000 2.379 221 C HA 0.627 5.087 4.460 0.000 0.000 0.323 221 C C 1.534 176.552 174.990 0.047 0.000 1.262 221 C CA 0.040 59.088 59.018 0.051 0.000 1.581 221 C CB 0.877 28.628 27.740 0.018 0.000 2.221 221 C HN 0.925 nan 8.230 nan 0.000 0.497 222 A N 3.832 126.497 122.820 -0.258 0.000 2.067 222 A HA 0.228 4.548 4.320 0.000 0.000 0.217 222 A C 0.240 177.509 177.584 -0.525 0.000 1.156 222 A CA 0.953 52.731 52.037 -0.431 0.000 0.683 222 A CB -0.157 18.359 19.000 -0.806 0.000 0.808 222 A HN 0.742 nan 8.150 nan 0.000 0.455 223 F N -1.784 118.154 119.950 -0.019 0.000 2.426 223 F HA 0.621 5.148 4.527 0.000 0.000 0.348 223 F C 1.155 176.796 175.800 -0.265 0.000 1.124 223 F CA -0.666 57.256 58.000 -0.130 0.000 1.008 223 F CB 1.297 40.252 39.000 -0.075 0.000 1.139 223 F HN 0.032 nan 8.300 nan 0.000 0.452 224 A N 1.771 124.473 122.820 -0.196 0.000 1.969 224 A HA -0.168 4.152 4.320 0.000 0.000 0.218 224 A C 2.061 179.571 177.584 -0.123 0.000 1.169 224 A CA 1.817 53.758 52.037 -0.160 0.000 0.635 224 A CB -0.608 18.402 19.000 0.017 0.000 0.810 224 A HN 0.813 nan 8.150 nan 0.000 0.445 225 D N 0.112 120.486 120.400 -0.045 0.000 2.117 225 D HA -0.159 4.481 4.640 0.000 0.000 0.198 225 D C 1.839 178.071 176.300 -0.112 0.000 0.982 225 D CA 1.082 55.047 54.000 -0.058 0.000 0.828 225 D CB -0.759 40.025 40.800 -0.027 0.000 0.967 225 D HN 0.409 nan 8.370 nan 0.000 0.464 226 L N 0.025 121.203 121.223 -0.075 0.000 2.217 226 L HA 0.029 4.369 4.340 0.000 0.000 0.211 226 L C 2.466 179.226 176.870 -0.183 0.000 1.107 226 L CA 1.018 55.809 54.840 -0.082 0.000 0.783 226 L CB -0.353 41.714 42.059 0.013 0.000 0.919 226 L HN 0.079 nan 8.230 nan 0.000 0.442 227 A N -0.020 122.602 122.820 -0.330 0.000 1.908 227 A HA -0.301 4.019 4.320 0.000 0.000 0.218 227 A C 2.152 179.196 177.584 -0.900 0.000 1.181 227 A CA 2.050 53.710 52.037 -0.629 0.000 0.627 227 A CB -0.480 17.924 19.000 -0.992 0.000 0.818 227 A HN 0.570 nan 8.150 nan 0.000 0.445 228 E N -0.520 119.102 120.200 -0.963 0.000 2.072 228 E HA 0.002 4.352 4.350 0.000 0.000 0.190 228 E C 0.740 177.152 176.600 -0.312 0.000 0.982 228 E CA 0.452 56.379 56.400 -0.789 0.000 0.803 228 E CB -0.130 29.354 29.700 -0.359 0.000 0.755 228 E HN 0.316 nan 8.360 nan 0.000 0.453 232 G N 0.565 109.394 108.800 0.048 0.000 2.469 232 G HA2 -0.096 3.864 3.960 0.000 0.000 0.219 232 G HA3 -0.096 3.864 3.960 0.000 0.000 0.219 232 G C 1.467 176.373 174.900 0.011 0.000 1.150 232 G CA 2.106 47.226 45.100 0.033 0.000 0.763 232 G HN 0.701 nan 8.290 nan 0.000 0.561 233 V N 0.187 120.067 119.914 -0.057 0.000 2.358 233 V HA -0.091 4.029 4.120 0.000 0.000 0.246 233 V C 2.490 178.514 176.094 -0.118 0.000 1.047 233 V CA 1.523 63.737 62.300 -0.143 0.000 1.035 233 V CB -0.652 31.006 31.823 -0.276 0.000 0.658 233 V HN 0.297 nan 8.190 nan 0.000 0.452 234 F N 0.818 120.774 119.950 0.009 0.000 2.234 234 F HA -0.033 4.494 4.527 0.000 0.000 0.299 234 F C 2.397 178.210 175.800 0.021 0.000 1.087 234 F CA 1.080 59.090 58.000 0.017 0.000 1.340 234 F CB -0.981 38.035 39.000 0.027 0.000 1.031 234 F HN 0.076 nan 8.300 nan 0.000 0.500 235 A N 0.164 123.107 122.820 0.204 0.000 1.877 235 A HA -0.080 4.240 4.320 0.000 0.000 0.216 235 A C 2.461 180.094 177.584 0.082 0.000 1.186 235 A CA 1.768 53.881 52.037 0.126 0.000 0.620 235 A CB -1.356 17.707 19.000 0.104 0.000 0.822 235 A HN 0.283 nan 8.150 nan 0.000 0.443 236 A N -0.226 122.627 122.820 0.056 0.000 1.986 236 A HA -0.199 4.122 4.320 0.000 0.000 0.220 236 A C 2.150 179.753 177.584 0.032 0.000 1.171 236 A CA 1.649 53.703 52.037 0.029 0.000 0.640 236 A CB -0.456 18.547 19.000 0.004 0.000 0.811 236 A HN 0.561 nan 8.150 nan 0.000 0.451 237 R N -1.504 119.025 120.500 0.048 0.000 2.313 237 R HA 0.110 4.450 4.340 0.000 0.000 0.199 237 R C 0.054 176.395 176.300 0.068 0.000 0.958 237 R CA 0.187 56.319 56.100 0.055 0.000 1.047 237 R CB -0.013 30.334 30.300 0.078 0.000 0.955 237 R HN 0.425 nan 8.270 nan 0.000 0.481 238 R N 0.282 120.825 120.500 0.073 0.000 3.641 238 R HA -0.135 4.205 4.340 0.000 0.000 0.286 238 R C -0.592 175.748 176.300 0.068 0.000 1.153 238 R CA 0.518 56.655 56.100 0.062 0.000 0.775 238 R CB -2.281 28.041 30.300 0.037 0.000 1.215 238 R HN 0.107 nan 8.270 nan 0.000 0.474 239 S N 0.167 115.934 115.700 0.112 0.000 2.603 239 S HA 0.230 4.700 4.470 0.000 0.000 0.268 239 S C 0.535 175.155 174.600 0.034 0.000 1.317 239 S CA -0.411 57.842 58.200 0.088 0.000 1.012 239 S CB 1.811 65.115 63.200 0.173 0.000 0.926 239 S HN 0.301 nan 8.310 nan 0.000 0.539 240 S N 1.873 117.562 115.700 -0.017 0.000 2.474 240 S HA 0.580 5.051 4.470 0.000 0.000 0.320 240 S C -0.991 173.562 174.600 -0.078 0.000 1.067 240 S CA -0.504 57.678 58.200 -0.030 0.000 1.127 240 S CB -0.271 62.907 63.200 -0.038 0.000 0.971 240 S HN 0.435 nan 8.310 nan 0.000 0.472 241 V N 6.205 126.069 119.914 -0.084 0.000 2.888 241 V HA 0.491 4.611 4.120 0.000 0.000 0.309 241 V C -0.916 175.153 176.094 -0.041 0.000 1.114 241 V CA -0.786 61.405 62.300 -0.181 0.000 0.940 241 V CB 2.234 33.747 31.823 -0.516 0.000 1.021 241 V HN 0.800 nan 8.190 nan 0.000 0.426 242 L N 4.720 125.936 121.223 -0.012 0.000 2.280 242 L HA 0.600 4.940 4.340 0.000 0.000 0.287 242 L C -0.597 176.334 176.870 0.102 0.000 1.023 242 L CA -0.788 54.118 54.840 0.109 0.000 0.819 242 L CB 1.663 43.818 42.059 0.161 0.000 1.212 242 L HN 0.332 nan 8.230 nan 0.000 0.420 243 V N 4.491 124.534 119.914 0.215 0.000 2.364 243 V HA 0.363 4.483 4.120 0.000 0.000 0.272 243 V C 0.248 176.615 176.094 0.455 0.000 1.036 243 V CA -0.604 61.857 62.300 0.269 0.000 0.880 243 V CB 1.466 33.433 31.823 0.239 0.000 0.991 243 V HN 0.549 nan 8.190 nan 0.000 0.460 244 V N 2.234 122.350 119.914 0.337 0.000 2.769 244 V HA 0.836 4.956 4.120 0.000 0.000 0.312 244 V C -0.857 175.469 176.094 0.388 0.000 1.061 244 V CA -0.705 61.792 62.300 0.329 0.000 0.931 244 V CB 1.877 33.791 31.823 0.151 0.000 1.010 244 V HN 0.978 nan 8.190 nan 0.000 0.433 245 H N 1.920 121.147 119.070 0.262 0.000 3.224 245 H HA 0.620 5.176 4.556 0.000 0.000 0.331 245 H C 0.154 175.559 175.328 0.128 0.000 1.002 245 H CA 0.398 56.572 56.048 0.209 0.000 1.473 245 H CB 1.166 31.138 29.762 0.350 0.000 1.830 245 H HN 1.296 nan 8.280 nan 0.000 0.485 246 G N 2.691 111.315 108.800 -0.294 0.000 2.321 246 G HA2 -0.075 3.885 3.960 0.000 0.000 0.237 246 G HA3 -0.075 3.885 3.960 0.000 0.000 0.237 246 G C 0.319 175.062 174.900 -0.262 0.000 1.282 246 G CA -0.088 44.877 45.100 -0.226 0.000 0.886 246 G HN 0.836 nan 8.290 nan 0.000 0.528 247 D N 0.902 121.257 120.400 -0.074 0.000 2.363 247 D HA -0.047 4.593 4.640 0.000 0.000 0.226 247 D C 1.419 177.706 176.300 -0.021 0.000 1.020 247 D CA 0.751 54.748 54.000 -0.006 0.000 0.892 247 D CB 0.408 41.224 40.800 0.027 0.000 0.900 247 D HN 0.635 nan 8.370 nan 0.000 0.531 248 D N -1.251 119.108 120.400 -0.068 0.000 2.340 248 D HA 0.131 4.771 4.640 0.000 0.000 0.217 248 D C 1.583 177.836 176.300 -0.077 0.000 1.081 248 D CA 0.353 54.323 54.000 -0.050 0.000 0.842 248 D CB 0.022 40.797 40.800 -0.041 0.000 0.934 248 D HN 0.110 nan 8.370 nan 0.000 0.511 249 G N 0.368 109.061 108.800 -0.179 0.000 2.205 249 G HA2 -0.294 3.666 3.960 0.000 0.000 0.261 249 G HA3 -0.294 3.666 3.960 0.000 0.000 0.261 249 G C 0.217 174.973 174.900 -0.240 0.000 0.980 249 G CA 0.122 45.106 45.100 -0.193 0.000 0.632 249 G HN 0.428 nan 8.290 nan 0.000 0.533 250 L N 1.942 123.031 121.223 -0.223 0.000 2.559 250 L HA 0.110 4.450 4.340 0.000 0.000 0.282 250 L C 1.040 177.818 176.870 -0.153 0.000 1.232 250 L CA 0.799 55.548 54.840 -0.152 0.000 0.885 250 L CB 0.397 42.390 42.059 -0.111 0.000 1.131 250 L HN 0.458 nan 8.230 nan 0.000 0.498 251 D N 3.434 123.794 120.400 -0.066 0.000 3.008 251 D HA 0.084 4.724 4.640 0.000 0.000 0.242 251 D C -0.120 176.184 176.300 0.006 0.000 1.222 251 D CA 0.018 54.015 54.000 -0.005 0.000 0.883 251 D CB 0.129 40.916 40.800 -0.022 0.000 1.110 251 D HN 0.351 nan 8.370 nan 0.000 0.455 252 E N -0.344 119.849 120.200 -0.012 0.000 2.437 252 E HA 0.280 4.630 4.350 0.000 0.000 0.280 252 E C -0.192 176.396 176.600 -0.020 0.000 1.044 252 E CA -0.948 55.448 56.400 -0.006 0.000 0.826 252 E CB 1.263 30.952 29.700 -0.018 0.000 1.358 252 E HN 0.059 nan 8.360 nan 0.000 0.459 253 L N 1.280 122.485 121.223 -0.030 0.000 2.534 253 L HA 0.098 4.438 4.340 0.000 0.000 0.271 253 L C 1.037 177.871 176.870 -0.060 0.000 1.178 253 L CA 0.540 55.344 54.840 -0.059 0.000 0.907 253 L CB 0.009 41.984 42.059 -0.139 0.000 1.164 253 L HN 0.380 nan 8.230 nan 0.000 0.482 254 T N 0.587 115.115 114.554 -0.044 0.000 2.902 254 T HA 0.300 4.650 4.350 0.000 0.000 0.280 254 T C 1.021 175.696 174.700 -0.042 0.000 0.992 254 T CA -0.097 61.977 62.100 -0.043 0.000 1.015 254 T CB 1.068 69.910 68.868 -0.043 0.000 1.044 254 T HN 0.796 nan 8.240 nan 0.000 0.520 255 T N -0.794 113.738 114.554 -0.036 0.000 3.044 255 T HA 0.151 4.501 4.350 0.000 0.000 0.260 255 T C 1.684 176.392 174.700 0.013 0.000 1.019 255 T CA -0.069 62.019 62.100 -0.019 0.000 0.921 255 T CB -0.067 68.798 68.868 -0.005 0.000 1.053 255 T HN 0.527 nan 8.240 nan 0.000 0.533 256 T N 1.623 116.178 114.554 0.002 0.000 2.985 256 T HA 0.192 4.542 4.350 0.000 0.000 0.266 256 T C 0.828 175.532 174.700 0.006 0.000 1.076 256 T CA 1.338 63.441 62.100 0.005 0.000 1.135 256 T CB 0.033 68.898 68.868 -0.005 0.000 0.890 256 T HN 0.592 nan 8.240 nan 0.000 0.480 257 T N -0.168 114.388 114.554 0.003 0.000 2.676 257 T HA 0.316 4.666 4.350 0.000 0.000 0.294 257 T C -1.129 173.575 174.700 0.007 0.000 1.647 257 T CA -0.137 61.965 62.100 0.002 0.000 0.992 257 T CB 0.464 69.332 68.868 -0.001 0.000 1.951 257 T HN 0.180 nan 8.240 nan 0.000 0.446 258 T N 0.604 115.161 114.554 0.005 0.000 2.828 258 T HA 0.712 5.062 4.350 0.000 0.000 0.290 258 T C -0.115 174.610 174.700 0.042 0.000 1.019 258 T CA -0.393 61.719 62.100 0.020 0.000 1.031 258 T CB 0.863 69.731 68.868 0.001 0.000 1.001 258 T HN 0.540 nan 8.240 nan 0.000 0.531 259 S N 0.030 115.784 115.700 0.090 0.000 2.568 259 S HA 0.596 5.066 4.470 0.000 0.000 0.293 259 S C -0.363 174.275 174.600 0.064 0.000 1.089 259 S CA -0.909 57.338 58.200 0.079 0.000 0.945 259 S CB 1.883 65.141 63.200 0.096 0.000 1.077 259 S HN 0.859 nan 8.310 nan 0.000 0.485 260 T N 2.361 116.931 114.554 0.026 0.000 2.806 260 T HA 0.512 4.862 4.350 0.000 0.000 0.290 260 T C -0.227 174.377 174.700 -0.160 0.000 0.966 260 T CA -0.203 61.794 62.100 -0.172 0.000 1.060 260 T CB -0.007 68.672 68.868 -0.314 0.000 0.927 260 T HN 0.376 nan 8.240 nan 0.000 0.485 261 I N 2.744 123.197 120.570 -0.196 0.000 2.378 261 I HA 0.307 4.477 4.170 0.000 0.000 0.291 261 I C -0.169 175.794 176.117 -0.257 0.000 0.992 261 I CA -0.874 60.399 61.300 -0.044 0.000 1.154 261 I CB 1.372 39.479 38.000 0.179 0.000 1.315 261 I HN 0.481 nan 8.210 nan 0.000 0.448 262 W N 6.620 127.979 121.300 0.098 0.000 2.433 262 W HA 0.308 4.968 4.660 0.000 0.000 0.331 262 W C 0.493 177.056 176.519 0.073 0.000 1.110 262 W CA -0.583 56.806 57.345 0.074 0.000 1.450 262 W CB 0.453 29.962 29.460 0.081 0.000 1.348 262 W HN 0.419 nan 8.180 nan 0.000 0.415 263 R N 2.711 123.314 120.500 0.171 0.000 2.216 263 R HA 0.389 4.729 4.340 0.000 0.000 0.332 263 R C -0.939 175.434 176.300 0.121 0.000 1.056 263 R CA -0.164 56.009 56.100 0.123 0.000 0.901 263 R CB 0.750 31.026 30.300 -0.039 0.000 1.039 263 R HN 0.204 nan 8.270 nan 0.000 0.456 264 V N 3.680 123.668 119.914 0.122 0.000 2.417 264 V HA 0.764 4.884 4.120 0.000 0.000 0.291 264 V C -0.382 175.756 176.094 0.073 0.000 1.024 264 V CA -0.575 61.788 62.300 0.106 0.000 0.861 264 V CB 1.303 33.200 31.823 0.124 0.000 0.985 264 V HN 0.951 nan 8.190 nan 0.000 0.436 265 A N 3.882 126.740 122.820 0.063 0.000 2.555 265 A HA 0.796 5.116 4.320 0.000 0.000 0.297 265 A C 0.236 177.844 177.584 0.041 0.000 1.060 265 A CA -0.099 51.967 52.037 0.048 0.000 0.710 265 A CB 1.267 20.297 19.000 0.051 0.000 1.282 265 A HN 2.359 nan 8.150 nan 0.000 0.399 266 A N 0.809 123.649 122.820 0.033 0.000 2.791 266 A HA 0.324 4.644 4.320 0.000 0.000 0.292 266 A C 2.077 179.680 177.584 0.033 0.000 1.487 266 A CA 2.041 54.095 52.037 0.028 0.000 0.760 266 A CB -1.795 17.219 19.000 0.023 0.000 1.031 266 A HN 3.200 nan 8.150 nan 0.000 0.503 267 G N -2.652 106.174 108.800 0.042 0.000 2.155 267 G HA2 0.006 3.967 3.960 0.000 0.000 0.257 267 G HA3 0.006 3.967 3.960 0.000 0.000 0.257 267 G C 0.198 175.130 174.900 0.053 0.000 0.983 267 G CA 0.872 46.000 45.100 0.047 0.000 0.676 267 G HN 2.046 nan 8.290 nan 0.000 0.528 268 S N -1.067 114.667 115.700 0.057 0.000 2.557 268 S HA 0.644 5.114 4.470 0.000 0.000 0.291 268 S C -0.056 174.589 174.600 0.074 0.000 1.116 268 S CA -0.526 57.707 58.200 0.056 0.000 0.992 268 S CB 2.727 65.950 63.200 0.038 0.000 1.028 268 S HN 0.728 nan 8.310 nan 0.000 0.484 269 V N 2.704 122.672 119.914 0.091 0.000 2.427 269 V HA 0.440 4.560 4.120 0.000 0.000 0.286 269 V C -0.491 175.660 176.094 0.095 0.000 1.034 269 V CA -0.591 61.788 62.300 0.131 0.000 0.893 269 V CB 1.530 33.468 31.823 0.192 0.000 0.982 269 V HN 0.827 nan 8.190 nan 0.000 0.452 270 D N 2.957 123.397 120.400 0.066 0.000 2.492 270 D HA 0.363 5.003 4.640 0.000 0.000 0.248 270 D C -0.411 175.846 176.300 -0.072 0.000 1.101 270 D CA -0.479 53.511 54.000 -0.018 0.000 0.840 270 D CB 1.371 42.116 40.800 -0.091 0.000 1.209 270 D HN 0.502 nan 8.370 nan 0.000 0.524 271 K N 3.889 124.216 120.400 -0.123 0.000 2.156 271 K HA 0.653 4.973 4.320 0.000 0.000 0.271 271 K C -1.123 175.308 176.600 -0.281 0.000 0.995 271 K CA -0.593 55.498 56.287 -0.327 0.000 0.890 271 K CB 0.653 32.953 32.500 -0.333 0.000 1.073 271 K HN 0.544 nan 8.250 nan 0.000 0.454 272 L N -0.302 120.728 121.223 -0.322 0.000 2.568 272 L HA 0.551 4.891 4.340 0.000 0.000 0.257 272 L C -1.070 175.719 176.870 -0.135 0.000 1.024 272 L CA -0.853 53.868 54.840 -0.198 0.000 0.854 272 L CB 2.135 44.079 42.059 -0.192 0.000 1.460 272 L HN 0.355 nan 8.230 nan 0.000 0.409 273 T N 1.454 115.972 114.554 -0.059 0.000 2.795 273 T HA 0.553 4.903 4.350 0.000 0.000 0.282 273 T C -1.119 173.643 174.700 0.104 0.000 0.980 273 T CA 0.120 62.218 62.100 -0.003 0.000 1.012 273 T CB 0.742 69.592 68.868 -0.031 0.000 0.936 273 T HN 0.465 nan 8.240 nan 0.000 0.457 274 F N 3.059 122.998 119.950 -0.018 0.000 2.458 274 F HA 0.484 5.011 4.527 0.000 0.000 0.336 274 F C -0.378 175.389 175.800 -0.055 0.000 1.114 274 F CA -0.928 57.059 58.000 -0.022 0.000 0.987 274 F CB 1.187 40.155 39.000 -0.054 0.000 1.130 274 F HN 0.350 nan 8.300 nan 0.000 0.458 275 D N 8.178 128.222 120.400 -0.594 0.000 2.462 275 D HA 0.324 4.965 4.640 0.000 0.000 0.245 275 D C -1.879 174.116 176.300 -0.509 0.000 1.122 275 D CA -2.433 51.338 54.000 -0.382 0.000 0.864 275 D CB 1.982 42.637 40.800 -0.243 0.000 1.098 275 D HN 0.246 nan 8.370 nan 0.000 0.541 276 P HA -0.097 nan 4.420 nan 0.000 0.222 276 P C 1.085 178.503 177.300 0.197 0.000 1.147 276 P CA 0.442 63.548 63.100 0.009 0.000 0.790 276 P CB 0.290 31.998 31.700 0.014 0.000 0.780 277 A N 0.742 123.588 122.820 0.043 0.000 2.024 277 A HA -0.053 4.267 4.320 0.000 0.000 0.220 277 A C 2.430 179.970 177.584 -0.073 0.000 1.164 277 A CA 1.683 53.736 52.037 0.025 0.000 0.643 277 A CB -1.787 17.201 19.000 -0.020 0.000 0.806 277 A HN 0.320 nan 8.150 nan 0.000 0.451 278 G N -2.526 106.138 108.800 -0.227 0.000 2.776 278 G HA2 0.136 4.096 3.960 0.000 0.000 0.209 278 G HA3 0.136 4.096 3.960 0.000 0.000 0.209 278 G C 0.541 175.032 174.900 -0.682 0.000 1.145 278 G CA 0.514 45.337 45.100 -0.461 0.000 0.791 278 G HN 0.457 nan 8.290 nan 0.000 0.530 279 F N -0.848 119.095 119.950 -0.011 0.000 2.775 279 F HA 0.392 4.919 4.527 0.000 0.000 0.313 279 F C 1.565 177.328 175.800 -0.062 0.000 1.121 279 F CA -0.143 57.882 58.000 0.042 0.000 1.206 279 F CB 1.010 40.144 39.000 0.223 0.000 1.052 279 F HN 0.128 nan 8.300 nan 0.000 0.524 280 G N -0.072 108.741 108.800 0.022 0.000 2.175 280 G HA2 -0.286 3.674 3.960 0.000 0.000 0.244 280 G HA3 -0.286 3.674 3.960 0.000 0.000 0.244 280 G C 0.116 174.937 174.900 -0.132 0.000 0.982 280 G CA -0.637 44.404 45.100 -0.098 0.000 0.641 280 G HN 0.150 nan 8.290 nan 0.000 0.527 281 F N 1.988 121.973 119.950 0.058 0.000 2.495 281 F HA 0.577 5.104 4.527 0.000 0.000 0.365 281 F C 1.159 176.973 175.800 0.022 0.000 1.090 281 F CA 0.184 58.214 58.000 0.051 0.000 1.235 281 F CB 0.988 40.033 39.000 0.075 0.000 1.119 281 F HN 0.330 nan 8.300 nan 0.000 0.562 282 A N 4.832 127.752 122.820 0.166 0.000 2.425 282 A HA 0.347 4.667 4.320 0.000 0.000 0.249 282 A C 0.370 178.022 177.584 0.113 0.000 1.084 282 A CA -0.839 51.261 52.037 0.104 0.000 0.781 282 A CB 0.272 19.310 19.000 0.064 0.000 1.019 282 A HN 0.648 nan 8.150 nan 0.000 0.490 283 R N 0.653 121.195 120.500 0.070 0.000 2.502 283 R HA 0.215 4.555 4.340 0.000 0.000 0.292 283 R C 0.482 176.810 176.300 0.048 0.000 0.998 283 R CA 0.739 56.870 56.100 0.051 0.000 1.056 283 R CB -0.168 30.149 30.300 0.030 0.000 0.939 283 R HN 0.796 nan 8.270 nan 0.000 0.411 284 A N 3.259 126.105 122.820 0.043 0.000 2.269 284 A HA 0.435 4.755 4.320 0.000 0.000 0.327 284 A C -0.318 177.279 177.584 0.022 0.000 1.112 284 A CA -0.604 51.454 52.037 0.035 0.000 0.865 284 A CB 0.951 19.973 19.000 0.036 0.000 1.227 284 A HN 0.496 nan 8.150 nan 0.000 0.498 285 Q N 0.084 119.895 119.800 0.018 0.000 2.245 285 Q HA 0.285 4.626 4.340 0.000 0.000 0.256 285 Q C 0.465 176.471 176.000 0.009 0.000 0.942 285 Q CA -0.782 55.028 55.803 0.012 0.000 0.896 285 Q CB 1.624 30.369 28.738 0.012 0.000 1.272 285 Q HN 0.650 nan 8.270 nan 0.000 0.442 286 L N 3.003 124.229 121.223 0.005 0.000 2.187 286 L HA -0.207 4.133 4.340 0.000 0.000 0.213 286 L C 1.165 178.037 176.870 0.003 0.000 1.100 286 L CA 2.174 57.014 54.840 0.001 0.000 0.765 286 L CB -0.520 41.537 42.059 -0.003 0.000 0.904 286 L HN 0.713 nan 8.230 nan 0.000 0.437 287 D N -2.307 118.097 120.400 0.006 0.000 2.310 287 D HA -0.221 4.419 4.640 0.000 0.000 0.212 287 D C 1.683 177.988 176.300 0.008 0.000 0.965 287 D CA 0.822 54.826 54.000 0.007 0.000 0.879 287 D CB -0.417 40.387 40.800 0.007 0.000 0.921 287 D HN 0.487 nan 8.370 nan 0.000 0.510 288 Q N -0.384 119.422 119.800 0.010 0.000 2.451 288 Q HA 0.191 4.531 4.340 0.000 0.000 0.206 288 Q C 1.592 177.599 176.000 0.013 0.000 0.947 288 Q CA 0.395 56.206 55.803 0.013 0.000 0.937 288 Q CB 0.237 28.986 28.738 0.018 0.000 1.025 288 Q HN 0.416 nan 8.270 nan 0.000 0.511 289 L N -0.548 120.680 121.223 0.009 0.000 2.609 289 L HA 0.320 4.660 4.340 0.000 0.000 0.230 289 L C 0.862 177.735 176.870 0.005 0.000 1.087 289 L CA -0.522 54.322 54.840 0.007 0.000 0.874 289 L CB 0.072 42.133 42.059 0.002 0.000 1.114 289 L HN -0.021 nan 8.230 nan 0.000 0.488 290 A N 0.604 123.427 122.820 0.004 0.000 2.520 290 A HA 0.393 4.713 4.320 0.000 0.000 0.235 290 A C 1.091 178.678 177.584 0.005 0.000 1.065 290 A CA 0.738 52.777 52.037 0.004 0.000 0.764 290 A CB 0.134 19.137 19.000 0.004 0.000 1.002 290 A HN 0.293 nan 8.150 nan 0.000 0.502 291 G N 0.383 109.186 108.800 0.005 0.000 2.722 291 G HA2 0.607 4.567 3.960 0.000 0.000 0.201 291 G HA3 0.607 4.567 3.960 0.000 0.000 0.201 291 G C 0.777 175.679 174.900 0.004 0.000 1.926 291 G CA 0.507 45.609 45.100 0.004 0.000 0.872 291 G HN 2.286 nan 8.290 nan 0.000 0.581 292 G N -0.434 108.368 108.800 0.004 0.000 2.298 292 G HA2 0.268 4.228 3.960 0.000 0.000 0.309 292 G HA3 0.268 4.228 3.960 0.000 0.000 0.309 292 G C -1.165 173.736 174.900 0.001 0.000 1.279 292 G CA 0.164 45.265 45.100 0.002 0.000 1.042 292 G HN 0.955 nan 8.290 nan 0.000 0.480 293 D N 0.546 120.945 120.400 -0.001 0.000 2.360 293 D HA 0.500 5.140 4.640 0.000 0.000 0.242 293 D C 1.734 178.028 176.300 -0.010 0.000 1.184 293 D CA 0.484 54.482 54.000 -0.004 0.000 0.930 293 D CB 1.065 41.862 40.800 -0.005 0.000 1.161 293 D HN 1.259 nan 8.370 nan 0.000 0.447 294 A N 1.110 123.922 122.820 -0.014 0.000 1.971 294 A HA -0.331 3.989 4.320 0.000 0.000 0.222 294 A C 2.131 179.698 177.584 -0.028 0.000 1.182 294 A CA 2.192 54.214 52.037 -0.024 0.000 0.649 294 A CB -0.728 18.253 19.000 -0.032 0.000 0.818 294 A HN 0.592 nan 8.150 nan 0.000 0.458 295 Q N -0.782 119.003 119.800 -0.024 0.000 2.046 295 Q HA 0.073 4.413 4.340 0.000 0.000 0.200 295 Q C 2.425 178.414 176.000 -0.018 0.000 0.975 295 Q CA 1.952 57.741 55.803 -0.023 0.000 0.836 295 Q CB -0.632 28.094 28.738 -0.020 0.000 0.896 295 Q HN 0.645 nan 8.270 nan 0.000 0.428 296 A N 0.576 123.388 122.820 -0.013 0.000 1.902 296 A HA -0.214 4.106 4.320 0.000 0.000 0.217 296 A C 1.821 179.400 177.584 -0.008 0.000 1.181 296 A CA 1.757 53.789 52.037 -0.008 0.000 0.623 296 A CB -0.668 18.329 19.000 -0.005 0.000 0.818 296 A HN 0.345 nan 8.150 nan 0.000 0.443 297 N N 0.497 119.191 118.700 -0.010 0.000 2.166 297 N HA -0.088 4.652 4.740 0.000 0.000 0.186 297 N C 1.776 177.278 175.510 -0.015 0.000 1.019 297 N CA 1.567 54.611 53.050 -0.010 0.000 0.856 297 N CB -0.519 37.962 38.487 -0.010 0.000 0.993 297 N HN 0.472 nan 8.380 nan 0.000 0.426 298 A N 0.498 123.304 122.820 -0.024 0.000 1.933 298 A HA 0.056 4.376 4.320 0.000 0.000 0.218 298 A C 2.279 179.852 177.584 -0.018 0.000 1.175 298 A CA 1.790 53.810 52.037 -0.029 0.000 0.628 298 A CB -0.803 18.172 19.000 -0.042 0.000 0.814 298 A HN 0.310 nan 8.150 nan 0.000 0.444 299 A N -0.151 122.661 122.820 -0.014 0.000 1.898 299 A HA 0.224 4.544 4.320 0.000 0.000 0.216 299 A C 2.492 180.075 177.584 -0.002 0.000 1.181 299 A CA 1.844 53.876 52.037 -0.008 0.000 0.620 299 A CB -0.970 18.026 19.000 -0.007 0.000 0.819 299 A HN 1.003 nan 8.150 nan 0.000 0.442 300 A N -0.251 122.569 122.820 -0.000 0.000 1.883 300 A HA -0.048 4.272 4.320 0.000 0.000 0.217 300 A C 2.227 179.816 177.584 0.008 0.000 1.186 300 A CA 1.926 53.966 52.037 0.005 0.000 0.624 300 A CB -1.120 17.884 19.000 0.006 0.000 0.822 300 A HN 0.413 nan 8.150 nan 0.000 0.444 301 V N 0.269 120.186 119.914 0.005 0.000 2.231 301 V HA -0.375 3.745 4.120 0.000 0.000 0.250 301 V C 2.633 178.735 176.094 0.013 0.000 1.058 301 V CA 2.554 64.861 62.300 0.011 0.000 1.022 301 V CB -0.985 30.843 31.823 0.008 0.000 0.640 301 V HN 0.582 nan 8.190 nan 0.000 0.445 302 R N 0.171 120.675 120.500 0.007 0.000 2.117 302 R HA -0.173 4.167 4.340 0.000 0.000 0.243 302 R C 2.422 178.728 176.300 0.010 0.000 1.143 302 R CA 1.491 57.596 56.100 0.008 0.000 0.968 302 R CB -0.732 29.569 30.300 0.002 0.000 0.863 302 R HN 0.577 nan 8.270 nan 0.000 0.444 303 A N 0.899 123.725 122.820 0.009 0.000 1.851 303 A HA -0.157 4.163 4.320 0.000 0.000 0.216 303 A C 2.416 180.010 177.584 0.015 0.000 1.195 303 A CA 1.761 53.804 52.037 0.011 0.000 0.622 303 A CB -0.827 18.179 19.000 0.010 0.000 0.831 303 A HN 0.123 nan 8.150 nan 0.000 0.444 304 V N -0.423 119.502 119.914 0.018 0.000 2.287 304 V HA -0.239 3.881 4.120 0.000 0.000 0.248 304 V C 2.520 178.627 176.094 0.023 0.000 1.053 304 V CA 2.006 64.319 62.300 0.023 0.000 1.027 304 V CB -0.745 31.093 31.823 0.026 0.000 0.646 304 V HN 0.478 nan 8.190 nan 0.000 0.447 305 L N 0.834 122.070 121.223 0.022 0.000 2.156 305 L HA 0.041 4.381 4.340 0.000 0.000 0.208 305 L C 2.396 179.277 176.870 0.018 0.000 1.095 305 L CA 2.051 56.904 54.840 0.022 0.000 0.770 305 L CB -1.473 40.602 42.059 0.026 0.000 0.914 305 L HN 0.369 nan 8.230 nan 0.000 0.439 306 G N -1.894 106.916 108.800 0.016 0.000 2.848 306 G HA2 0.281 4.241 3.960 0.000 0.000 0.208 306 G HA3 0.281 4.241 3.960 0.000 0.000 0.208 306 G C 1.189 176.097 174.900 0.013 0.000 1.152 306 G CA 0.600 45.708 45.100 0.013 0.000 0.789 306 G HN 0.574 nan 8.290 nan 0.000 0.531 307 G N -1.689 107.120 108.800 0.015 0.000 2.192 307 G HA2 0.175 4.136 3.960 0.000 0.000 0.193 307 G HA3 0.175 4.136 3.960 0.000 0.000 0.193 307 G C 0.454 175.363 174.900 0.016 0.000 0.999 307 G CA 0.039 45.148 45.100 0.015 0.000 0.659 307 G HN 1.228 nan 8.290 nan 0.000 0.503 308 A N 0.824 123.655 122.820 0.017 0.000 2.488 308 A HA 0.653 4.973 4.320 0.000 0.000 0.249 308 A C 0.843 178.442 177.584 0.024 0.000 1.083 308 A CA 0.335 52.383 52.037 0.018 0.000 0.768 308 A CB 0.234 19.244 19.000 0.017 0.000 1.017 308 A HN 0.469 nan 8.150 nan 0.000 0.496 309 R N 1.028 121.542 120.500 0.023 0.000 2.573 309 R HA 0.708 5.048 4.340 0.000 0.000 0.272 309 R C 0.444 176.764 176.300 0.032 0.000 1.009 309 R CA 0.473 56.590 56.100 0.028 0.000 1.059 309 R CB 1.631 31.943 30.300 0.020 0.000 1.112 309 R HN 1.344 nan 8.270 nan 0.000 0.517 310 G N 0.991 109.817 108.800 0.044 0.000 2.346 310 G HA2 -0.102 3.858 3.960 0.000 0.000 0.294 310 G HA3 -0.102 3.858 3.960 0.000 0.000 0.294 310 G C -2.454 172.486 174.900 0.067 0.000 1.294 310 G CA -0.915 44.213 45.100 0.047 0.000 0.962 310 G HN 0.352 nan 8.290 nan 0.000 0.508 311 P HA -0.029 nan 4.420 nan 0.000 0.216 311 P C 2.065 179.401 177.300 0.060 0.000 1.150 311 P CA 1.881 65.023 63.100 0.070 0.000 0.837 311 P CB -0.014 31.716 31.700 0.050 0.000 0.786 312 V N 1.289 121.230 119.914 0.046 0.000 2.270 312 V HA -0.214 3.906 4.120 0.000 0.000 0.245 312 V C 3.036 179.158 176.094 0.047 0.000 1.043 312 V CA 2.109 64.431 62.300 0.036 0.000 1.014 312 V CB -1.251 30.589 31.823 0.028 0.000 0.645 312 V HN 0.087 nan 8.190 nan 0.000 0.447 313 R N 0.442 120.976 120.500 0.057 0.000 2.096 313 R HA -0.259 4.081 4.340 0.000 0.000 0.240 313 R C 1.968 178.336 176.300 0.114 0.000 1.139 313 R CA 2.528 58.671 56.100 0.071 0.000 0.952 313 R CB -0.648 29.692 30.300 0.068 0.000 0.854 313 R HN 0.498 nan 8.270 nan 0.000 0.436 314 D N 0.301 120.797 120.400 0.161 0.000 2.133 314 D HA -0.180 4.460 4.640 0.000 0.000 0.195 314 D C 1.717 178.072 176.300 0.092 0.000 0.997 314 D CA 1.909 56.082 54.000 0.287 0.000 0.840 314 D CB -0.276 40.742 40.800 0.364 0.000 0.947 314 D HN 0.499 nan 8.370 nan 0.000 0.452 315 A N 0.019 122.852 122.820 0.021 0.000 2.016 315 A HA -0.005 4.315 4.320 0.000 0.000 0.217 315 A C 2.418 179.983 177.584 -0.032 0.000 1.162 315 A CA 0.545 52.551 52.037 -0.052 0.000 0.662 315 A CB -0.291 18.692 19.000 -0.028 0.000 0.812 315 A HN 0.135 nan 8.150 nan 0.000 0.450 316 V N -0.449 119.471 119.914 0.010 0.000 2.323 316 V HA -0.186 3.934 4.120 0.000 0.000 0.244 316 V C 2.576 178.681 176.094 0.019 0.000 1.041 316 V CA 1.870 64.178 62.300 0.013 0.000 1.025 316 V CB -0.585 31.253 31.823 0.026 0.000 0.656 316 V HN 0.348 nan 8.190 nan 0.000 0.451 317 V N -0.155 119.795 119.914 0.061 0.000 2.324 317 V HA -0.283 3.837 4.120 0.000 0.000 0.250 317 V C 2.399 178.529 176.094 0.061 0.000 1.060 317 V CA 2.248 64.603 62.300 0.093 0.000 1.042 317 V CB -0.621 31.317 31.823 0.191 0.000 0.650 317 V HN 0.494 nan 8.190 nan 0.000 0.450 318 L N 0.459 121.668 121.223 -0.024 0.000 2.056 318 L HA -0.119 4.221 4.340 0.000 0.000 0.207 318 L C 2.208 179.063 176.870 -0.024 0.000 1.078 318 L CA 1.925 56.706 54.840 -0.099 0.000 0.749 318 L CB -0.858 40.963 42.059 -0.397 0.000 0.901 318 L HN 0.332 nan 8.230 nan 0.000 0.433 319 N N -0.447 118.222 118.700 -0.052 0.000 2.216 319 N HA -0.094 4.646 4.740 0.000 0.000 0.183 319 N C 1.755 177.223 175.510 -0.069 0.000 1.017 319 N CA 1.246 54.268 53.050 -0.048 0.000 0.861 319 N CB -0.079 38.386 38.487 -0.037 0.000 0.986 319 N HN 0.479 nan 8.380 nan 0.000 0.428 320 A N 1.311 124.095 122.820 -0.059 0.000 1.930 320 A HA 0.045 4.365 4.320 0.000 0.000 0.217 320 A C 2.391 179.887 177.584 -0.146 0.000 1.175 320 A CA 1.628 53.616 52.037 -0.083 0.000 0.627 320 A CB -0.577 18.391 19.000 -0.052 0.000 0.815 320 A HN 0.305 nan 8.150 nan 0.000 0.443 321 A N -0.340 122.393 122.820 -0.146 0.000 1.902 321 A HA 0.125 4.445 4.320 0.000 0.000 0.217 321 A C 2.411 179.608 177.584 -0.645 0.000 1.181 321 A CA 1.889 53.752 52.037 -0.289 0.000 0.623 321 A CB -1.408 17.523 19.000 -0.116 0.000 0.818 321 A HN 0.721 nan 8.150 nan 0.000 0.443 322 G N -0.295 108.170 108.800 -0.558 0.000 2.476 322 G HA2 -0.074 3.886 3.960 0.000 0.000 0.218 322 G HA3 -0.074 3.886 3.960 0.000 0.000 0.218 322 G C 1.762 176.426 174.900 -0.393 0.000 1.164 322 G CA 1.626 46.368 45.100 -0.596 0.000 0.768 322 G HN 0.848 nan 8.290 nan 0.000 0.560 323 A N 0.510 123.185 122.820 -0.243 0.000 1.933 323 A HA 0.059 4.379 4.320 0.000 0.000 0.218 323 A C 2.411 179.888 177.584 -0.179 0.000 1.175 323 A CA 1.313 53.248 52.037 -0.171 0.000 0.628 323 A CB -0.310 18.619 19.000 -0.118 0.000 0.814 323 A HN 0.411 nan 8.150 nan 0.000 0.444 324 I N -0.643 119.783 120.570 -0.240 0.000 2.252 324 I HA -0.178 3.993 4.170 0.000 0.000 0.245 324 I C 2.297 178.271 176.117 -0.238 0.000 1.102 324 I CA 0.853 62.026 61.300 -0.210 0.000 1.385 324 I CB -0.289 37.572 38.000 -0.232 0.000 1.064 324 I HN 0.139 nan 8.210 nan 0.000 0.414 325 V N 1.226 120.858 119.914 -0.470 0.000 2.332 325 V HA -0.323 3.797 4.120 0.000 0.000 0.248 325 V C 2.774 178.717 176.094 -0.252 0.000 1.055 325 V CA 2.058 64.049 62.300 -0.515 0.000 1.038 325 V CB -1.060 30.090 31.823 -1.122 0.000 0.651 325 V HN 0.501 nan 8.190 nan 0.000 0.450 326 A N -0.750 121.947 122.820 -0.205 0.000 1.908 326 A HA -0.316 4.004 4.320 0.000 0.000 0.218 326 A C 2.250 179.796 177.584 -0.064 0.000 1.181 326 A CA 2.161 54.141 52.037 -0.094 0.000 0.627 326 A CB -0.935 18.009 19.000 -0.094 0.000 0.818 326 A HN 0.735 nan 8.150 nan 0.000 0.445 327 H N 0.092 119.079 119.070 -0.138 0.000 2.267 327 H HA -0.144 4.412 4.556 0.000 0.000 0.297 327 H C 2.337 177.612 175.328 -0.089 0.000 1.080 327 H CA 2.069 58.052 56.048 -0.108 0.000 1.278 327 H CB -0.356 29.336 29.762 -0.117 0.000 1.365 327 H HN 0.396 nan 8.280 nan 0.000 0.489 328 A N 0.703 123.471 122.820 -0.087 0.000 1.917 328 A HA -0.159 4.161 4.320 0.000 0.000 0.219 328 A C 2.695 180.210 177.584 -0.114 0.000 1.182 328 A CA 1.714 53.687 52.037 -0.107 0.000 0.633 328 A CB -1.408 17.558 19.000 -0.057 0.000 0.819 328 A HN 0.618 nan 8.150 nan 0.000 0.448 329 G N -0.836 107.917 108.800 -0.080 0.000 2.653 329 G HA2 0.007 3.967 3.960 0.000 0.000 0.212 329 G HA3 0.007 3.967 3.960 0.000 0.000 0.212 329 G C 1.230 176.091 174.900 -0.065 0.000 1.138 329 G CA 0.606 45.685 45.100 -0.036 0.000 0.782 329 G HN 0.471 nan 8.290 nan 0.000 0.535 330 L N 0.330 121.471 121.223 -0.137 0.000 2.465 330 L HA 0.093 4.433 4.340 0.000 0.000 0.224 330 L C 0.688 177.497 176.870 -0.102 0.000 1.145 330 L CA 0.275 55.035 54.840 -0.133 0.000 0.834 330 L CB 0.180 42.108 42.059 -0.218 0.000 0.944 330 L HN 0.032 nan 8.230 nan 0.000 0.451 331 S N -0.034 115.608 115.700 -0.097 0.000 2.528 331 S HA 0.112 4.582 4.470 0.000 0.000 0.303 331 S C 0.598 175.181 174.600 -0.027 0.000 1.123 331 S CA -0.412 57.752 58.200 -0.060 0.000 1.138 331 S CB 1.099 64.259 63.200 -0.067 0.000 0.984 331 S HN 0.362 nan 8.310 nan 0.000 0.474 332 S N 2.076 117.768 115.700 -0.014 0.000 3.232 332 S HA -0.255 4.215 4.470 0.000 0.000 0.301 332 S C 0.509 175.119 174.600 0.017 0.000 0.795 332 S CA 1.139 59.340 58.200 0.003 0.000 1.314 332 S CB -1.884 61.319 63.200 0.004 0.000 0.834 332 S HN 1.995 nan 8.310 nan 0.000 0.436 333 R N -2.581 117.933 120.500 0.024 0.000 2.496 333 R HA 0.235 4.575 4.340 0.000 0.000 0.326 333 R C 0.536 176.875 176.300 0.065 0.000 1.032 333 R CA 1.441 57.573 56.100 0.053 0.000 0.827 333 R CB -2.784 27.546 30.300 0.051 0.000 2.368 333 R HN 2.453 nan 8.270 nan 0.000 0.490 334 A N 1.338 124.201 122.820 0.072 0.000 2.313 334 A HA 0.801 5.121 4.320 0.000 0.000 0.261 334 A C 1.093 178.761 177.584 0.141 0.000 1.090 334 A CA 0.531 52.616 52.037 0.080 0.000 0.807 334 A CB 0.230 19.260 19.000 0.050 0.000 1.055 334 A HN 2.459 nan 8.150 nan 0.000 0.492 335 E N 0.981 121.265 120.200 0.140 0.000 2.452 335 E HA 0.020 4.370 4.350 0.000 0.000 0.261 335 E C 0.888 177.664 176.600 0.294 0.000 0.987 335 E CA 0.121 56.642 56.400 0.202 0.000 0.926 335 E CB -0.133 29.662 29.700 0.158 0.000 0.934 335 E HN 0.834 nan 8.360 nan 0.000 0.452 336 W N 2.700 124.096 121.300 0.160 0.000 2.332 336 W HA -0.245 4.415 4.660 0.000 0.000 0.321 336 W C 1.587 178.357 176.519 0.419 0.000 1.219 336 W CA 1.749 59.256 57.345 0.269 0.000 1.277 336 W CB -0.107 29.515 29.460 0.270 0.000 1.161 336 W HN 0.620 nan 8.180 nan 0.000 0.476 337 L N 0.279 121.758 121.223 0.427 0.000 2.056 337 L HA -0.157 4.183 4.340 0.000 0.000 0.207 337 L C -0.502 176.548 176.870 0.300 0.000 1.078 337 L CA 1.089 56.148 54.840 0.365 0.000 0.749 337 L CB -2.439 39.805 42.059 0.309 0.000 0.901 337 L HN -0.080 nan 8.230 nan 0.000 0.433 338 P HA -0.164 nan 4.420 nan 0.000 0.216 338 P C 1.511 178.861 177.300 0.083 0.000 1.150 338 P CA 1.721 64.906 63.100 0.142 0.000 0.837 338 P CB 0.020 31.786 31.700 0.110 0.000 0.786 339 A N -1.758 121.084 122.820 0.038 0.000 1.933 339 A HA -0.173 4.147 4.320 0.000 0.000 0.218 339 A C 2.064 179.490 177.584 -0.262 0.000 1.175 339 A CA 1.282 53.255 52.037 -0.107 0.000 0.628 339 A CB -1.837 17.085 19.000 -0.131 0.000 0.814 339 A HN 0.199 nan 8.150 nan 0.000 0.444 340 W N 0.574 121.721 121.300 -0.254 0.000 2.354 340 W HA -0.142 4.518 4.660 0.000 0.000 0.315 340 W C 2.442 178.799 176.519 -0.270 0.000 1.206 340 W CA 1.288 58.403 57.345 -0.383 0.000 1.290 340 W CB -0.106 29.020 29.460 -0.558 0.000 1.152 340 W HN 0.334 nan 8.180 nan 0.000 0.489 341 E N 0.181 120.487 120.200 0.178 0.000 2.070 341 E HA -0.286 4.065 4.350 0.000 0.000 0.197 341 E C 1.768 178.403 176.600 0.058 0.000 1.004 341 E CA 1.937 58.435 56.400 0.163 0.000 0.805 341 E CB -0.714 29.104 29.700 0.196 0.000 0.744 341 E HN 0.333 nan 8.360 nan 0.000 0.451 342 E N 0.605 120.811 120.200 0.011 0.000 2.106 342 E HA -0.088 4.262 4.350 0.000 0.000 0.192 342 E C 2.112 178.669 176.600 -0.071 0.000 0.984 342 E CA 1.354 57.739 56.400 -0.025 0.000 0.806 342 E CB -0.637 29.045 29.700 -0.030 0.000 0.750 342 E HN 0.254 nan 8.360 nan 0.000 0.458 343 G N 0.339 109.052 108.800 -0.145 0.000 2.432 343 G HA2 -0.210 3.750 3.960 0.000 0.000 0.219 343 G HA3 -0.210 3.750 3.960 0.000 0.000 0.219 343 G C 1.518 176.354 174.900 -0.106 0.000 1.135 343 G CA 0.944 45.926 45.100 -0.197 0.000 0.767 343 G HN 0.314 nan 8.290 nan 0.000 0.550 344 L N -0.781 120.417 121.223 -0.040 0.000 2.249 344 L HA 0.166 4.506 4.340 0.000 0.000 0.207 344 L C 3.085 179.977 176.870 0.037 0.000 1.090 344 L CA 0.178 55.042 54.840 0.041 0.000 0.802 344 L CB -0.190 41.934 42.059 0.109 0.000 0.947 344 L HN 0.085 nan 8.230 nan 0.000 0.453 345 R N 0.194 120.705 120.500 0.018 0.000 2.080 345 R HA -0.146 4.194 4.340 0.000 0.000 0.236 345 R C 2.420 178.715 176.300 -0.008 0.000 1.137 345 R CA 1.498 57.603 56.100 0.009 0.000 0.943 345 R CB -0.359 29.945 30.300 0.007 0.000 0.846 345 R HN 0.317 nan 8.270 nan 0.000 0.431 346 R N 0.456 120.938 120.500 -0.029 0.000 2.083 346 R HA -0.117 4.223 4.340 0.000 0.000 0.237 346 R C 2.438 178.712 176.300 -0.043 0.000 1.137 346 R CA 1.459 57.532 56.100 -0.045 0.000 0.951 346 R CB -0.554 29.703 30.300 -0.072 0.000 0.851 346 R HN 0.235 nan 8.270 nan 0.000 0.434 347 A N 0.976 123.772 122.820 -0.040 0.000 1.865 347 A HA -0.209 4.111 4.320 0.000 0.000 0.217 347 A C 2.317 179.904 177.584 0.004 0.000 1.191 347 A CA 2.063 54.087 52.037 -0.021 0.000 0.623 347 A CB -0.726 18.267 19.000 -0.011 0.000 0.826 347 A HN 0.270 nan 8.150 nan 0.000 0.444 348 S N -0.303 115.409 115.700 0.021 0.000 2.359 348 S HA -0.077 4.393 4.470 0.000 0.000 0.224 348 S C 2.322 176.927 174.600 0.009 0.000 1.035 348 S CA 1.324 59.539 58.200 0.025 0.000 1.018 348 S CB -0.559 62.657 63.200 0.026 0.000 0.876 348 S HN 0.834 nan 8.310 nan 0.000 0.448 349 A N 1.555 124.375 122.820 -0.001 0.000 1.940 349 A HA 0.040 4.360 4.320 0.000 0.000 0.219 349 A C 2.355 179.933 177.584 -0.010 0.000 1.176 349 A CA 1.796 53.829 52.037 -0.007 0.000 0.631 349 A CB -1.103 17.890 19.000 -0.012 0.000 0.814 349 A HN 0.527 nan 8.150 nan 0.000 0.446 350 A N 0.068 122.878 122.820 -0.016 0.000 1.908 350 A HA -0.113 4.207 4.320 0.000 0.000 0.218 350 A C 2.125 179.705 177.584 -0.008 0.000 1.181 350 A CA 1.611 53.636 52.037 -0.020 0.000 0.627 350 A CB -0.588 18.393 19.000 -0.032 0.000 0.818 350 A HN 0.535 nan 8.150 nan 0.000 0.445 351 I N -0.189 120.381 120.570 0.001 0.000 2.110 351 I HA -0.197 3.973 4.170 0.000 0.000 0.236 351 I C 1.683 177.804 176.117 0.007 0.000 1.068 351 I CA 1.559 62.864 61.300 0.008 0.000 1.333 351 I CB -0.758 37.253 38.000 0.017 0.000 1.054 351 I HN 0.219 nan 8.210 nan 0.000 0.402 352 D N 0.661 121.065 120.400 0.006 0.000 2.309 352 D HA -0.134 4.506 4.640 0.000 0.000 0.212 352 D C 2.011 178.312 176.300 0.002 0.000 0.968 352 D CA 1.739 55.742 54.000 0.004 0.000 0.882 352 D CB -0.288 40.514 40.800 0.004 0.000 0.918 352 D HN 0.462 nan 8.370 nan 0.000 0.503 353 T N -3.692 110.862 114.554 -0.001 0.000 3.129 353 T HA 0.316 4.666 4.350 0.000 0.000 0.251 353 T C 1.699 176.399 174.700 -0.000 0.000 1.117 353 T CA 0.604 62.702 62.100 -0.002 0.000 1.034 353 T CB 0.388 69.253 68.868 -0.006 0.000 0.968 353 T HN 0.180 nan 8.240 nan 0.000 0.526 354 G N 0.891 109.692 108.800 0.002 0.000 2.184 354 G HA2 -0.263 3.697 3.960 0.000 0.000 0.264 354 G HA3 -0.263 3.697 3.960 0.000 0.000 0.264 354 G C 1.236 176.138 174.900 0.004 0.000 0.975 354 G CA 0.320 45.423 45.100 0.005 0.000 0.642 354 G HN 1.062 nan 8.290 nan 0.000 0.536 355 A N 0.228 123.047 122.820 -0.002 0.000 1.917 355 A HA 0.260 4.580 4.320 0.000 0.000 0.219 355 A C 2.854 180.435 177.584 -0.004 0.000 1.182 355 A CA 2.979 55.012 52.037 -0.007 0.000 0.633 355 A CB -0.900 18.089 19.000 -0.018 0.000 0.819 355 A HN 1.842 nan 8.150 nan 0.000 0.448 356 A N -0.550 122.270 122.820 -0.000 0.000 1.873 356 A HA -0.158 4.162 4.320 0.000 0.000 0.215 356 A C 2.025 179.625 177.584 0.027 0.000 1.186 356 A CA 1.795 53.837 52.037 0.008 0.000 0.616 356 A CB -0.631 18.374 19.000 0.008 0.000 0.823 356 A HN 0.661 nan 8.150 nan 0.000 0.442 357 E N -0.616 119.600 120.200 0.026 0.000 2.070 357 E HA -0.280 4.070 4.350 0.000 0.000 0.197 357 E C 2.142 178.765 176.600 0.037 0.000 1.004 357 E CA 1.624 58.043 56.400 0.032 0.000 0.805 357 E CB -0.112 29.601 29.700 0.022 0.000 0.744 357 E HN 0.563 nan 8.360 nan 0.000 0.451 358 Q N 0.326 120.143 119.800 0.029 0.000 2.124 358 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 358 Q C 2.406 178.432 176.000 0.043 0.000 0.977 358 Q CA 1.027 56.849 55.803 0.032 0.000 0.850 358 Q CB -0.510 28.240 28.738 0.019 0.000 0.901 358 Q HN 0.404 nan 8.270 nan 0.000 0.429 359 L N 0.338 121.582 121.223 0.035 0.000 2.046 359 L HA -0.172 4.168 4.340 0.000 0.000 0.208 359 L C 2.218 179.159 176.870 0.119 0.000 1.077 359 L CA 0.780 55.643 54.840 0.039 0.000 0.747 359 L CB -0.328 41.723 42.059 -0.013 0.000 0.896 359 L HN 0.188 nan 8.230 nan 0.000 0.432 360 L N 0.265 121.570 121.223 0.137 0.000 2.013 360 L HA -0.205 4.135 4.340 0.000 0.000 0.212 360 L C 2.576 179.546 176.870 0.168 0.000 1.073 360 L CA 2.236 57.196 54.840 0.200 0.000 0.753 360 L CB -1.062 41.079 42.059 0.136 0.000 0.890 360 L HN 0.282 nan 8.230 nan 0.000 0.432 361 A N -0.546 122.338 122.820 0.106 0.000 1.908 361 A HA -0.227 4.093 4.320 0.000 0.000 0.218 361 A C 2.446 180.097 177.584 0.112 0.000 1.181 361 A CA 1.857 53.943 52.037 0.082 0.000 0.627 361 A CB -0.597 18.435 19.000 0.054 0.000 0.818 361 A HN 0.526 nan 8.150 nan 0.000 0.445 362 R N -2.219 118.357 120.500 0.127 0.000 2.096 362 R HA -0.185 4.155 4.340 0.000 0.000 0.235 362 R C 2.027 178.483 176.300 0.260 0.000 1.127 362 R CA 1.477 57.669 56.100 0.153 0.000 0.968 362 R CB -0.338 30.025 30.300 0.106 0.000 0.861 362 R HN 0.794 nan 8.270 nan 0.000 0.440 363 W N 1.054 122.385 121.300 0.050 0.000 2.381 363 W HA -0.118 4.543 4.660 0.000 0.000 0.301 363 W C 1.793 178.382 176.519 0.117 0.000 1.205 363 W CA 0.687 58.072 57.345 0.067 0.000 1.285 363 W CB -0.644 28.826 29.460 0.016 0.000 1.133 363 W HN -0.235 nan 8.180 nan 0.000 0.521 364 V N 1.312 121.335 119.914 0.182 0.000 2.332 364 V HA -0.309 3.811 4.120 0.000 0.000 0.248 364 V C 2.622 178.760 176.094 0.074 0.000 1.055 364 V CA 2.463 64.780 62.300 0.029 0.000 1.038 364 V CB -1.017 30.800 31.823 -0.010 0.000 0.651 364 V HN 0.174 nan 8.190 nan 0.000 0.450 365 R N -0.593 119.980 120.500 0.122 0.000 2.066 365 R HA -0.195 4.145 4.340 0.000 0.000 0.232 365 R C 2.313 178.686 176.300 0.121 0.000 1.131 365 R CA 1.942 58.102 56.100 0.100 0.000 0.955 365 R CB -0.512 29.852 30.300 0.106 0.000 0.851 365 R HN 0.423 nan 8.270 nan 0.000 0.432 366 F N 0.934 120.936 119.950 0.086 0.000 2.045 366 F HA -0.219 4.308 4.527 0.000 0.000 0.297 366 F C 2.088 177.932 175.800 0.074 0.000 1.114 366 F CA 2.401 60.461 58.000 0.099 0.000 1.207 366 F CB -0.888 38.212 39.000 0.166 0.000 0.964 366 F HN 0.178 nan 8.300 nan 0.000 0.486 367 G N -0.270 108.602 108.800 0.120 0.000 2.422 367 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 367 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 367 G C 1.596 176.433 174.900 -0.105 0.000 1.146 367 G CA 0.452 45.537 45.100 -0.025 0.000 0.769 367 G HN 0.179 nan 8.290 nan 0.000 0.547 368 R N 0.684 121.142 120.500 -0.071 0.000 2.316 368 R HA 0.137 4.478 4.340 0.000 0.000 0.202 368 R C 1.380 177.627 176.300 -0.089 0.000 1.029 368 R CA -0.068 55.990 56.100 -0.070 0.000 1.018 368 R CB -0.481 29.794 30.300 -0.042 0.000 0.888 368 R HN 0.564 nan 8.270 nan 0.000 0.471 369 Q N -0.064 119.651 119.800 -0.142 0.000 2.535 369 Q HA 0.202 4.542 4.340 0.000 0.000 0.228 369 Q C 0.473 176.389 176.000 -0.140 0.000 1.062 369 Q CA 0.044 55.758 55.803 -0.148 0.000 0.967 369 Q CB 0.850 29.451 28.738 -0.228 0.000 1.273 369 Q HN 0.046 nan 8.270 nan 0.000 0.554 370 I N 0.000 120.507 120.570 -0.105 0.000 2.984 370 I HA 0.000 4.170 4.170 0.000 0.000 0.288 370 I CA 0.000 61.250 61.300 -0.083 0.000 1.566 370 I CB 0.000 37.969 38.000 -0.052 0.000 1.214 370 I HN 0.000 nan 8.210 nan 0.000 0.494