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 1lgf_1_A DATA FIRST_RESID 5 DATA SEQUENCE DPRPLHIRRQ GLDPADELLA AGALTRVTXX XXXXAETHWM ATAHAVVRQV DATA SEQUENCE MGDHQQFSTR RRWDPRDEIG GKGIFRPREL VGNLMDYDPP EHTRLRRKLT DATA SEQUENCE PGFTLRKMQR MAPYIEQIVN DRLDEMERAG SPADLIAFVA DKVPGAVLCE DATA SEQUENCE LVGVPRDDRD MFMKLCHGHL DASLSQKRRA ALGDKFSRYL LAMIARERKE DATA SEQUENCE PGEGMIGAVV AEYGDDATDE ELRGFCVQVM LAGDDNISGM IGLGVLAMLR DATA SEQUENCE HPEQIDAFRG DEQSAQRAVD ELIRYLTVPY SPTPRIARED LTLAGQEIKK DATA SEQUENCE GDSVICSLPA ANRDPALAPD VDRLDVTREP IPHVAFGHGV HHCLGAALAR DATA SEQUENCE LELRTVFTEL WRRFPALRLA DPAQDTEFRL TTPAYGLTEL MVAW 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.279 176.300 -0.035 0.000 2.045 5 D CA 0.000 53.981 54.000 -0.032 0.000 0.868 5 D CB 0.000 40.775 40.800 -0.041 0.000 0.688 6 P HA -0.031 nan 4.420 nan 0.000 0.222 6 P C 0.283 177.557 177.300 -0.044 0.000 1.153 6 P CA 0.115 63.196 63.100 -0.032 0.000 0.798 6 P CB 0.153 31.836 31.700 -0.027 0.000 0.796 7 R N 1.395 121.856 120.500 -0.065 0.000 2.489 7 R HA 0.266 4.605 4.340 -0.001 0.000 0.287 7 R C -2.405 173.827 176.300 -0.113 0.000 1.053 7 R CA -1.606 54.433 56.100 -0.102 0.000 1.036 7 R CB -0.972 29.248 30.300 -0.132 0.000 0.966 7 R HN 0.014 nan 8.270 nan 0.000 0.432 8 P HA -0.155 nan 4.420 nan 0.000 0.266 8 P C 0.607 177.825 177.300 -0.137 0.000 1.186 8 P CA -0.111 62.939 63.100 -0.082 0.000 0.767 8 P CB 0.408 32.066 31.700 -0.070 0.000 0.820 9 L N 3.681 124.897 121.223 -0.013 0.000 2.042 9 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 9 L C 2.300 179.148 176.870 -0.038 0.000 1.076 9 L CA 1.882 56.711 54.840 -0.019 0.000 0.749 9 L CB -1.220 40.858 42.059 0.031 0.000 0.893 9 L HN 0.559 nan 8.230 nan 0.000 0.432 10 H N -1.614 117.416 119.070 -0.066 0.000 2.561 10 H HA -0.031 4.525 4.556 -0.001 0.000 0.278 10 H C 1.618 176.899 175.328 -0.078 0.000 1.014 10 H CA 0.906 56.926 56.048 -0.046 0.000 1.211 10 H CB -0.284 29.464 29.762 -0.023 0.000 1.365 10 H HN 0.327 nan 8.280 nan 0.000 0.594 11 I N 1.293 121.463 120.570 -0.667 0.000 3.728 11 I HA 0.076 4.246 4.170 -0.001 0.000 0.307 11 I C 0.665 176.491 176.117 -0.484 0.000 1.276 11 I CA -0.037 60.767 61.300 -0.827 0.000 1.285 11 I CB -0.392 37.083 38.000 -0.875 0.000 1.038 11 I HN 0.067 nan 8.210 nan 0.000 0.445 12 R N 2.379 122.708 120.500 -0.285 0.000 2.340 12 R HA 0.426 4.766 4.340 -0.001 0.000 0.300 12 R C -0.109 176.064 176.300 -0.211 0.000 1.069 12 R CA -0.400 55.572 56.100 -0.214 0.000 0.984 12 R CB 1.126 31.336 30.300 -0.150 0.000 1.003 12 R HN 0.011 nan 8.270 nan 0.000 0.459 13 R N 2.129 122.462 120.500 -0.279 0.000 2.807 13 R HA 0.281 4.620 4.340 -0.001 0.000 0.276 13 R C -0.741 175.405 176.300 -0.257 0.000 0.979 13 R CA -0.992 54.898 56.100 -0.350 0.000 0.928 13 R CB 2.011 31.869 30.300 -0.738 0.000 1.191 13 R HN 0.566 nan 8.270 nan 0.000 0.471 14 Q N 0.335 120.013 119.800 -0.203 0.000 2.394 14 Q HA 0.387 4.726 4.340 -0.001 0.000 0.261 14 Q C 0.155 176.094 176.000 -0.101 0.000 1.023 14 Q CA 0.214 55.937 55.803 -0.133 0.000 0.720 14 Q CB 1.588 30.283 28.738 -0.070 0.000 1.241 14 Q HN 0.921 nan 8.270 nan 0.000 0.483 15 G N 1.797 110.507 108.800 -0.151 0.000 2.561 15 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.289 15 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.289 15 G C 0.384 175.319 174.900 0.059 0.000 1.169 15 G CA 0.209 45.326 45.100 0.029 0.000 0.980 15 G HN 0.570 nan 8.290 nan 0.000 0.550 16 L N 1.998 123.327 121.223 0.178 0.000 2.592 16 L HA 0.287 4.627 4.340 -0.001 0.000 0.227 16 L C 0.342 177.151 176.870 -0.103 0.000 1.127 16 L CA 0.171 55.105 54.840 0.156 0.000 0.884 16 L CB -0.331 41.864 42.059 0.227 0.000 1.065 16 L HN 0.363 nan 8.230 nan 0.000 0.457 17 D N -0.103 120.230 120.400 -0.113 0.000 2.384 17 D HA 0.366 5.005 4.640 -0.001 0.000 0.250 17 D C -2.487 173.705 176.300 -0.179 0.000 1.029 17 D CA -1.716 52.176 54.000 -0.180 0.000 0.990 17 D CB 1.015 41.752 40.800 -0.104 0.000 1.175 17 D HN -0.243 nan 8.370 nan 0.000 0.532 18 P HA 0.136 nan 4.420 nan 0.000 0.271 18 P C -0.599 176.635 177.300 -0.109 0.000 1.218 18 P CA -0.127 62.892 63.100 -0.135 0.000 0.780 18 P CB 0.391 32.036 31.700 -0.092 0.000 0.901 19 A N 2.682 125.436 122.820 -0.110 0.000 2.507 19 A HA -0.022 4.298 4.320 -0.001 0.000 0.235 19 A C 1.351 178.903 177.584 -0.053 0.000 1.070 19 A CA 0.226 52.213 52.037 -0.084 0.000 0.768 19 A CB -0.249 18.698 19.000 -0.087 0.000 1.011 19 A HN 0.554 nan 8.150 nan 0.000 0.502 20 D N 0.783 121.159 120.400 -0.039 0.000 2.123 20 D HA -0.178 4.461 4.640 -0.001 0.000 0.196 20 D C 1.896 178.185 176.300 -0.019 0.000 0.992 20 D CA 1.800 55.786 54.000 -0.023 0.000 0.833 20 D CB -0.039 40.752 40.800 -0.015 0.000 0.954 20 D HN 0.843 nan 8.370 nan 0.000 0.455 21 E N 0.839 121.026 120.200 -0.022 0.000 2.204 21 E HA -0.146 4.203 4.350 -0.001 0.000 0.194 21 E C 2.273 178.866 176.600 -0.012 0.000 0.989 21 E CA 0.389 56.779 56.400 -0.015 0.000 0.824 21 E CB -0.513 29.176 29.700 -0.018 0.000 0.756 21 E HN 0.260 nan 8.360 nan 0.000 0.477 22 L N 0.932 122.143 121.223 -0.019 0.000 2.068 22 L HA 0.016 4.356 4.340 -0.001 0.000 0.204 22 L C 2.375 179.243 176.870 -0.004 0.000 1.076 22 L CA 1.249 56.084 54.840 -0.009 0.000 0.753 22 L CB -0.459 41.588 42.059 -0.020 0.000 0.910 22 L HN 0.051 nan 8.230 nan 0.000 0.439 23 L N -0.259 120.956 121.223 -0.012 0.000 2.191 23 L HA -0.116 4.224 4.340 -0.001 0.000 0.212 23 L C 2.376 179.246 176.870 0.001 0.000 1.103 23 L CA 0.982 55.818 54.840 -0.007 0.000 0.769 23 L CB -0.741 41.311 42.059 -0.012 0.000 0.908 23 L HN 0.411 nan 8.230 nan 0.000 0.438 24 A N -0.153 122.667 122.820 0.001 0.000 2.218 24 A HA 0.340 4.659 4.320 -0.001 0.000 0.209 24 A C 1.290 178.880 177.584 0.010 0.000 1.168 24 A CA 0.394 52.434 52.037 0.005 0.000 0.804 24 A CB -0.307 18.694 19.000 0.002 0.000 0.834 24 A HN 0.262 nan 8.150 nan 0.000 0.482 25 A N 0.212 123.039 122.820 0.012 0.000 2.445 25 A HA 0.500 4.820 4.320 -0.001 0.000 0.242 25 A C 1.010 178.609 177.584 0.025 0.000 1.075 25 A CA 0.204 52.253 52.037 0.019 0.000 0.777 25 A CB -0.304 18.710 19.000 0.023 0.000 1.013 25 A HN 0.796 nan 8.150 nan 0.000 0.493 26 G N -0.533 108.287 108.800 0.033 0.000 2.667 26 G HA2 0.459 4.419 3.960 -0.001 0.000 0.250 26 G HA3 0.459 4.419 3.960 -0.001 0.000 0.250 26 G C 1.210 176.133 174.900 0.039 0.000 1.212 26 G CA 0.202 45.324 45.100 0.036 0.000 0.874 26 G HN 1.499 nan 8.290 nan 0.000 0.561 27 A N -0.040 122.799 122.820 0.032 0.000 1.927 27 A HA 0.008 4.328 4.320 -0.001 0.000 0.220 27 A C 0.989 178.590 177.584 0.027 0.000 1.185 27 A CA 1.733 53.783 52.037 0.022 0.000 0.639 27 A CB -0.350 18.657 19.000 0.011 0.000 0.820 27 A HN 1.090 nan 8.150 nan 0.000 0.451 28 L N -0.736 120.521 121.223 0.057 0.000 2.562 28 L HA 0.553 4.893 4.340 -0.001 0.000 0.266 28 L C -0.392 176.611 176.870 0.221 0.000 0.949 28 L CA 0.707 55.610 54.840 0.105 0.000 0.879 28 L CB 2.025 44.094 42.059 0.016 0.000 1.278 28 L HN 0.424 nan 8.230 nan 0.000 0.404 29 T N 1.058 115.786 114.554 0.289 0.000 2.787 29 T HA 0.668 5.017 4.350 -0.001 0.000 0.297 29 T C -0.488 174.310 174.700 0.164 0.000 1.221 29 T CA -1.082 61.174 62.100 0.260 0.000 1.006 29 T CB 1.547 70.480 68.868 0.109 0.000 1.328 29 T HN 0.591 nan 8.240 nan 0.000 0.509 30 R N 0.277 120.710 120.500 -0.112 0.000 2.457 30 R HA 0.732 5.071 4.340 -0.001 0.000 0.284 30 R C -0.334 175.866 176.300 -0.167 0.000 1.024 30 R CA -0.778 55.104 56.100 -0.363 0.000 1.025 30 R CB 1.570 31.532 30.300 -0.565 0.000 1.063 30 R HN 0.714 nan 8.270 nan 0.000 0.493 31 V N -1.635 118.193 119.914 -0.144 0.000 3.078 31 V HA 0.669 4.789 4.120 -0.001 0.000 0.311 31 V C -0.379 175.693 176.094 -0.037 0.000 1.138 31 V CA -0.746 61.523 62.300 -0.052 0.000 1.007 31 V CB 2.206 34.034 31.823 0.008 0.000 1.045 31 V HN 0.732 nan 8.190 nan 0.000 0.432 40 E N 0.548 120.723 120.200 -0.042 0.000 2.422 40 E HA 0.398 4.747 4.350 -0.001 0.000 0.260 40 E C 0.128 176.545 176.600 -0.304 0.000 1.108 40 E CA 0.495 56.792 56.400 -0.172 0.000 0.943 40 E CB 0.246 29.832 29.700 -0.190 0.000 0.961 40 E HN 0.469 nan 8.360 nan 0.000 0.443 41 T N 0.015 114.302 114.554 -0.445 0.000 2.829 41 T HA 0.473 4.823 4.350 -0.001 0.000 0.280 41 T C -0.465 173.867 174.700 -0.613 0.000 0.999 41 T CA -0.936 60.921 62.100 -0.405 0.000 0.983 41 T CB 1.117 69.829 68.868 -0.260 0.000 0.968 41 T HN 0.599 nan 8.240 nan 0.000 0.446 42 H N 0.086 119.061 119.070 -0.158 0.000 2.931 42 H HA 0.410 4.966 4.556 -0.001 0.000 0.331 42 H C -1.123 174.078 175.328 -0.211 0.000 1.273 42 H CA -1.153 54.812 56.048 -0.139 0.000 1.171 42 H CB 1.110 30.836 29.762 -0.061 0.000 1.898 42 H HN 0.545 nan 8.280 nan 0.000 0.562 43 W N 1.245 122.601 121.300 0.093 0.000 2.375 43 W HA 0.462 5.121 4.660 -0.001 0.000 0.336 43 W C 0.215 176.715 176.519 -0.031 0.000 1.160 43 W CA -0.666 56.692 57.345 0.021 0.000 1.266 43 W CB 0.991 30.457 29.460 0.011 0.000 1.195 43 W HN 0.271 nan 8.180 nan 0.000 0.599 44 M N 2.852 122.579 119.600 0.212 0.000 2.197 44 M HA 0.669 5.149 4.480 -0.001 0.000 0.301 44 M C -1.125 175.210 176.300 0.059 0.000 0.987 44 M CA -0.509 54.827 55.300 0.060 0.000 0.921 44 M CB 1.265 33.871 32.600 0.010 0.000 1.569 44 M HN 0.476 nan 8.290 nan 0.000 0.431 45 A N 3.021 125.836 122.820 -0.009 0.000 2.260 45 A HA 0.581 4.900 4.320 -0.001 0.000 0.308 45 A C 0.613 178.183 177.584 -0.023 0.000 1.254 45 A CA -0.181 51.837 52.037 -0.032 0.000 0.874 45 A CB 0.198 19.138 19.000 -0.100 0.000 1.153 45 A HN 0.952 nan 8.150 nan 0.000 0.527 46 T N -0.758 113.795 114.554 -0.003 0.000 2.975 46 T HA 0.481 4.831 4.350 -0.001 0.000 0.257 46 T C 0.720 175.430 174.700 0.016 0.000 1.003 46 T CA 0.691 62.797 62.100 0.009 0.000 0.932 46 T CB -0.056 68.823 68.868 0.019 0.000 1.087 46 T HN 1.138 nan 8.240 nan 0.000 0.512 47 A N 1.616 124.441 122.820 0.008 0.000 2.363 47 A HA 0.425 4.744 4.320 -0.001 0.000 0.270 47 A C 1.188 178.792 177.584 0.033 0.000 1.121 47 A CA -0.423 51.630 52.037 0.026 0.000 0.800 47 A CB -0.012 18.995 19.000 0.012 0.000 1.052 47 A HN 0.514 nan 8.150 nan 0.000 0.493 48 H N 2.568 121.618 119.070 -0.033 0.000 2.319 48 H HA -0.233 4.322 4.556 -0.001 0.000 0.297 48 H C 2.030 177.315 175.328 -0.072 0.000 1.097 48 H CA 2.393 58.415 56.048 -0.044 0.000 1.285 48 H CB 0.150 29.894 29.762 -0.029 0.000 1.368 48 H HN 0.744 nan 8.280 nan 0.000 0.495 49 A N 0.356 123.165 122.820 -0.017 0.000 1.930 49 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 49 A C 2.850 180.360 177.584 -0.123 0.000 1.175 49 A CA 1.479 53.466 52.037 -0.085 0.000 0.627 49 A CB -0.758 18.235 19.000 -0.011 0.000 0.815 49 A HN 0.308 nan 8.150 nan 0.000 0.443 50 V N -0.523 119.333 119.914 -0.095 0.000 2.307 50 V HA -0.201 3.918 4.120 -0.001 0.000 0.245 50 V C 2.567 178.562 176.094 -0.165 0.000 1.045 50 V CA 1.846 64.077 62.300 -0.115 0.000 1.024 50 V CB -0.738 31.030 31.823 -0.091 0.000 0.651 50 V HN 0.355 nan 8.190 nan 0.000 0.449 51 V N -0.018 119.798 119.914 -0.164 0.000 2.332 51 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 51 V C 2.606 178.580 176.094 -0.201 0.000 1.055 51 V CA 2.241 64.435 62.300 -0.178 0.000 1.038 51 V CB -0.787 30.951 31.823 -0.142 0.000 0.651 51 V HN 0.472 nan 8.190 nan 0.000 0.450 52 R N -0.559 119.761 120.500 -0.300 0.000 2.096 52 R HA -0.218 4.122 4.340 -0.001 0.000 0.235 52 R C 2.433 178.657 176.300 -0.127 0.000 1.127 52 R CA 1.778 57.643 56.100 -0.393 0.000 0.968 52 R CB -0.319 29.590 30.300 -0.653 0.000 0.861 52 R HN 0.612 nan 8.270 nan 0.000 0.440 53 Q N 0.466 120.192 119.800 -0.123 0.000 2.046 53 Q HA -0.134 4.205 4.340 -0.001 0.000 0.200 53 Q C 1.989 177.958 176.000 -0.051 0.000 0.975 53 Q CA 1.531 57.306 55.803 -0.046 0.000 0.836 53 Q CB 0.181 28.887 28.738 -0.054 0.000 0.896 53 Q HN 0.173 nan 8.270 nan 0.000 0.428 54 V N 0.705 120.480 119.914 -0.231 0.000 2.307 54 V HA -0.283 3.836 4.120 -0.001 0.000 0.245 54 V C 2.303 178.269 176.094 -0.214 0.000 1.045 54 V CA 1.948 63.922 62.300 -0.542 0.000 1.024 54 V CB -0.448 30.925 31.823 -0.749 0.000 0.651 54 V HN 0.458 nan 8.190 nan 0.000 0.449 55 M N 0.116 119.674 119.600 -0.069 0.000 2.254 55 M HA 0.010 4.489 4.480 -0.001 0.000 0.265 55 M C 2.160 178.563 176.300 0.172 0.000 1.066 55 M CA 1.746 57.086 55.300 0.067 0.000 1.123 55 M CB -0.617 32.044 32.600 0.102 0.000 1.388 55 M HN 0.469 nan 8.290 nan 0.000 0.425 56 G N -0.628 108.327 108.800 0.260 0.000 2.511 56 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.217 56 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.217 56 G C 0.183 175.188 174.900 0.175 0.000 1.133 56 G CA 0.203 45.421 45.100 0.197 0.000 0.792 56 G HN 0.315 nan 8.290 nan 0.000 0.539 57 D N 0.426 120.923 120.400 0.162 0.000 2.524 57 D HA 0.082 4.721 4.640 -0.001 0.000 0.222 57 D C 1.674 178.034 176.300 0.100 0.000 1.142 57 D CA -0.678 53.373 54.000 0.086 0.000 0.973 57 D CB -0.256 40.627 40.800 0.138 0.000 1.025 57 D HN 0.493 nan 8.370 nan 0.000 0.519 58 H N 1.478 120.607 119.070 0.099 0.000 2.524 58 H HA -0.029 4.526 4.556 -0.001 0.000 0.282 58 H C 0.850 176.212 175.328 0.057 0.000 1.016 58 H CA 0.383 56.485 56.048 0.090 0.000 1.270 58 H CB 0.177 29.968 29.762 0.050 0.000 1.394 58 H HN 0.391 nan 8.280 nan 0.000 0.568 59 Q N 0.837 120.447 119.800 -0.316 0.000 2.167 59 Q HA -0.066 4.273 4.340 -0.001 0.000 0.202 59 Q C 1.592 177.513 176.000 -0.132 0.000 0.970 59 Q CA 1.107 56.794 55.803 -0.193 0.000 0.855 59 Q CB 0.117 28.718 28.738 -0.228 0.000 0.911 59 Q HN 0.722 nan 8.270 nan 0.000 0.438 60 Q N -1.571 118.137 119.800 -0.154 0.000 2.280 60 Q HA 0.179 4.518 4.340 -0.001 0.000 0.228 60 Q C -0.529 175.126 176.000 -0.575 0.000 0.857 60 Q CA -0.073 55.522 55.803 -0.347 0.000 0.939 60 Q CB 0.942 29.421 28.738 -0.432 0.000 1.114 60 Q HN 0.117 nan 8.270 nan 0.000 0.514 61 F N 1.304 121.243 119.950 -0.019 0.000 2.610 61 F HA 0.245 4.771 4.527 -0.001 0.000 0.355 61 F C 0.045 175.856 175.800 0.019 0.000 1.140 61 F CA -0.992 57.003 58.000 -0.009 0.000 1.037 61 F CB 1.515 40.504 39.000 -0.019 0.000 1.287 61 F HN -0.161 nan 8.300 nan 0.000 0.457 62 S N 0.524 116.309 115.700 0.142 0.000 2.632 62 S HA 0.560 5.030 4.470 -0.001 0.000 0.271 62 S C 0.118 174.761 174.600 0.072 0.000 1.260 62 S CA -0.686 57.580 58.200 0.110 0.000 1.010 62 S CB 1.306 64.546 63.200 0.067 0.000 0.965 62 S HN 0.579 nan 8.310 nan 0.000 0.534 63 T N -0.589 113.981 114.554 0.028 0.000 2.832 63 T HA 0.303 4.653 4.350 -0.001 0.000 0.296 63 T C 0.105 174.776 174.700 -0.048 0.000 0.968 63 T CA -0.806 61.253 62.100 -0.067 0.000 1.107 63 T CB 0.294 69.048 68.868 -0.189 0.000 0.916 63 T HN 0.771 nan 8.240 nan 0.000 0.517 64 R N 2.800 123.255 120.500 -0.075 0.000 2.413 64 R HA 0.085 4.425 4.340 -0.001 0.000 0.333 64 R C 0.802 177.113 176.300 0.019 0.000 1.074 64 R CA -0.389 55.691 56.100 -0.033 0.000 0.982 64 R CB 0.097 30.352 30.300 -0.075 0.000 0.981 64 R HN 0.701 nan 8.270 nan 0.000 0.452 65 R N 3.563 124.067 120.500 0.006 0.000 2.638 65 R HA -0.099 4.241 4.340 -0.001 0.000 0.268 65 R C -0.454 175.880 176.300 0.058 0.000 1.006 65 R CA 0.477 56.576 56.100 -0.001 0.000 1.088 65 R CB 0.379 30.643 30.300 -0.059 0.000 0.950 65 R HN 0.730 nan 8.270 nan 0.000 0.419 66 R N 1.604 122.144 120.500 0.067 0.000 2.873 66 R HA -0.236 4.103 4.340 -0.001 0.000 0.281 66 R C -1.534 174.872 176.300 0.176 0.000 0.933 66 R CA 0.988 57.140 56.100 0.087 0.000 0.712 66 R CB -1.408 28.921 30.300 0.049 0.000 1.780 66 R HN 0.621 nan 8.270 nan 0.000 0.488 67 W N 4.173 125.467 121.300 -0.009 0.000 2.819 67 W HA 0.435 5.094 4.660 -0.001 0.000 0.337 67 W C -1.178 175.341 176.519 -0.000 0.000 1.077 67 W CA -1.133 56.209 57.345 -0.004 0.000 1.226 67 W CB 1.211 30.665 29.460 -0.010 0.000 1.419 67 W HN 0.358 nan 8.180 nan 0.000 0.502 68 D N 4.737 124.559 120.400 -0.964 0.000 2.408 68 D HA 0.270 4.910 4.640 -0.001 0.000 0.243 68 D C -2.315 173.055 176.300 -1.549 0.000 1.075 68 D CA -1.773 51.671 54.000 -0.927 0.000 0.832 68 D CB 2.485 43.013 40.800 -0.454 0.000 1.162 68 D HN 0.139 nan 8.370 nan 0.000 0.515 69 P HA 0.020 nan 4.420 nan 0.000 0.259 69 P C 0.663 177.748 177.300 -0.359 0.000 1.307 69 P CA 0.364 62.880 63.100 -0.974 0.000 0.768 69 P CB 0.208 31.633 31.700 -0.459 0.000 1.199 70 R N 0.078 120.372 120.500 -0.343 0.000 2.081 70 R HA 0.079 4.418 4.340 -0.001 0.000 0.158 70 R C -0.313 175.920 176.300 -0.112 0.000 1.886 70 R CA 0.206 56.209 56.100 -0.163 0.000 1.479 70 R CB -0.472 29.739 30.300 -0.149 0.000 1.254 70 R HN -0.178 nan 8.270 nan 0.000 0.475 71 D N 2.005 122.334 120.400 -0.119 0.000 2.890 71 D HA -0.191 4.448 4.640 -0.001 0.000 0.226 71 D C -0.253 176.030 176.300 -0.029 0.000 1.207 71 D CA 1.603 55.568 54.000 -0.059 0.000 0.764 71 D CB -0.609 40.177 40.800 -0.024 0.000 0.948 71 D HN 0.638 nan 8.370 nan 0.000 0.404 72 E N -0.348 119.828 120.200 -0.040 0.000 4.110 72 E HA 0.323 4.672 4.350 -0.001 0.000 0.112 72 E C -0.190 176.390 176.600 -0.034 0.000 1.367 72 E CA -0.859 55.521 56.400 -0.035 0.000 0.785 72 E CB 0.126 29.796 29.700 -0.051 0.000 1.953 72 E HN 0.110 nan 8.360 nan 0.000 0.594 73 I N 1.630 122.178 120.570 -0.037 0.000 2.307 73 I HA 0.565 4.734 4.170 -0.001 0.000 0.287 73 I C 0.283 176.382 176.117 -0.031 0.000 1.054 73 I CA 0.402 61.684 61.300 -0.031 0.000 1.218 73 I CB 0.810 38.793 38.000 -0.028 0.000 1.398 73 I HN 0.852 nan 8.210 nan 0.000 0.475 74 G N 3.677 112.458 108.800 -0.031 0.000 1.800 74 G HA2 0.175 4.135 3.960 -0.001 0.000 0.054 74 G HA3 0.175 4.135 3.960 -0.001 0.000 0.054 74 G C 0.678 175.554 174.900 -0.040 0.000 0.844 74 G CA 0.258 45.338 45.100 -0.032 0.000 1.105 74 G HN 0.934 nan 8.290 nan 0.000 0.327 75 G N -0.107 108.662 108.800 -0.052 0.000 2.267 75 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.257 75 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.257 75 G C 0.397 175.257 174.900 -0.066 0.000 0.998 75 G CA 1.443 46.505 45.100 -0.063 0.000 0.620 75 G HN 1.682 nan 8.290 nan 0.000 0.529 76 K N 0.987 121.354 120.400 -0.054 0.000 2.361 76 K HA 0.508 4.827 4.320 -0.001 0.000 0.283 76 K C 1.094 177.654 176.600 -0.067 0.000 1.078 76 K CA 0.308 56.563 56.287 -0.053 0.000 1.041 76 K CB 0.270 32.748 32.500 -0.038 0.000 0.932 76 K HN 1.680 nan 8.250 nan 0.000 0.462 77 G N 3.198 111.948 108.800 -0.084 0.000 2.326 77 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.286 77 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.286 77 G C -0.346 174.463 174.900 -0.152 0.000 1.096 77 G CA -0.363 44.666 45.100 -0.118 0.000 1.003 77 G HN 0.454 nan 8.290 nan 0.000 0.503 78 I N -0.658 119.825 120.570 -0.145 0.000 3.002 78 I HA 0.767 4.936 4.170 -0.001 0.000 0.310 78 I C 1.479 177.497 176.117 -0.166 0.000 1.087 78 I CA -1.293 59.914 61.300 -0.155 0.000 1.017 78 I CB 0.382 38.300 38.000 -0.137 0.000 1.226 78 I HN 0.318 nan 8.210 nan 0.000 0.443 79 F N 2.043 121.893 119.950 -0.165 0.000 2.646 79 F HA 0.386 4.912 4.527 -0.001 0.000 0.321 79 F C 0.737 176.447 175.800 -0.151 0.000 1.241 79 F CA -0.113 57.795 58.000 -0.154 0.000 1.365 79 F CB -0.045 38.879 39.000 -0.127 0.000 1.143 79 F HN 0.623 nan 8.300 nan 0.000 0.601 80 R N 1.813 122.230 120.500 -0.139 0.000 3.107 80 R HA 0.392 4.731 4.340 -0.001 0.000 0.251 80 R C -1.419 174.832 176.300 -0.083 0.000 1.818 80 R CA -0.239 55.789 56.100 -0.121 0.000 1.228 80 R CB 1.291 31.502 30.300 -0.148 0.000 1.459 80 R HN 0.707 nan 8.270 nan 0.000 0.520 81 P HA -0.141 nan 4.420 nan 0.000 0.208 81 P C -0.034 177.269 177.300 0.006 0.000 1.189 81 P CA 1.597 64.693 63.100 -0.007 0.000 0.931 81 P CB -0.145 31.559 31.700 0.007 0.000 0.783 82 R N -2.279 118.221 120.500 0.000 0.000 3.776 82 R HA -0.145 4.195 4.340 -0.001 0.000 0.312 82 R C -0.366 175.949 176.300 0.027 0.000 1.181 82 R CA 0.619 56.725 56.100 0.009 0.000 0.836 82 R CB -2.720 27.586 30.300 0.009 0.000 1.324 82 R HN 0.699 nan 8.270 nan 0.000 0.501 83 E N -0.794 119.424 120.200 0.030 0.000 3.117 83 E HA -0.222 4.128 4.350 -0.001 0.000 0.156 83 E C -0.760 175.881 176.600 0.068 0.000 1.699 83 E CA 0.763 57.187 56.400 0.039 0.000 0.728 83 E CB -0.502 29.215 29.700 0.027 0.000 1.091 83 E HN 0.206 nan 8.360 nan 0.000 0.369 84 L N 2.779 124.058 121.223 0.093 0.000 2.260 84 L HA 0.244 4.584 4.340 -0.001 0.000 0.289 84 L C 0.316 177.286 176.870 0.166 0.000 1.057 84 L CA -0.462 54.448 54.840 0.117 0.000 0.811 84 L CB 1.339 43.471 42.059 0.123 0.000 1.184 84 L HN 0.197 nan 8.230 nan 0.000 0.429 85 V N 3.181 123.178 119.914 0.137 0.000 2.843 85 V HA 0.573 4.692 4.120 -0.001 0.000 0.305 85 V C 1.159 177.287 176.094 0.057 0.000 1.065 85 V CA 0.109 62.499 62.300 0.150 0.000 1.116 85 V CB 0.281 32.139 31.823 0.058 0.000 0.968 85 V HN 1.246 nan 8.190 nan 0.000 0.487 86 G N 2.120 110.926 108.800 0.009 0.000 2.136 86 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.242 86 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.242 86 G C 0.217 175.286 174.900 0.283 0.000 0.989 86 G CA 0.258 45.310 45.100 -0.080 0.000 0.682 86 G HN 1.164 nan 8.290 nan 0.000 0.522 87 N N 0.846 119.758 118.700 0.354 0.000 2.678 87 N HA 0.362 5.101 4.740 -0.001 0.000 0.231 87 N C 1.925 177.724 175.510 0.483 0.000 1.038 87 N CA -0.380 52.901 53.050 0.385 0.000 0.932 87 N CB 0.274 38.949 38.487 0.314 0.000 1.176 87 N HN 0.254 nan 8.380 nan 0.000 0.511 88 L N 1.743 123.209 121.223 0.405 0.000 2.171 88 L HA -0.269 4.070 4.340 -0.001 0.000 0.216 88 L C 2.129 179.362 176.870 0.606 0.000 1.084 88 L CA 1.298 56.423 54.840 0.475 0.000 0.771 88 L CB -0.268 41.992 42.059 0.336 0.000 0.890 88 L HN 0.489 nan 8.230 nan 0.000 0.437 89 M N -0.351 119.477 119.600 0.380 0.000 2.296 89 M HA -0.144 4.335 4.480 -0.001 0.000 0.265 89 M C 1.033 177.412 176.300 0.131 0.000 1.064 89 M CA 1.532 56.929 55.300 0.162 0.000 1.109 89 M CB -0.355 32.319 32.600 0.123 0.000 1.396 89 M HN 0.033 nan 8.290 nan 0.000 0.430 90 D N -0.731 119.800 120.400 0.219 0.000 2.352 90 D HA 0.104 4.743 4.640 -0.001 0.000 0.236 90 D C -0.886 175.235 176.300 -0.298 0.000 1.148 90 D CA 0.374 54.345 54.000 -0.048 0.000 0.844 90 D CB -0.153 40.548 40.800 -0.164 0.000 0.933 90 D HN 0.241 nan 8.370 nan 0.000 0.507 91 Y N -0.564 119.857 120.300 0.201 0.000 2.615 91 Y HA 0.395 4.944 4.550 -0.001 0.000 0.341 91 Y C -0.054 175.987 175.900 0.235 0.000 1.089 91 Y CA -1.180 57.046 58.100 0.211 0.000 1.049 91 Y CB 1.775 40.374 38.460 0.231 0.000 1.296 91 Y HN -0.313 nan 8.280 nan 0.000 0.470 92 D N 0.590 121.196 120.400 0.344 0.000 2.581 92 D HA 0.368 5.007 4.640 -0.001 0.000 0.232 92 D C -2.894 173.517 176.300 0.184 0.000 1.143 92 D CA -1.756 52.367 54.000 0.206 0.000 0.881 92 D CB 2.443 43.350 40.800 0.178 0.000 1.500 92 D HN 0.058 nan 8.370 nan 0.000 0.458 93 P HA 0.047 nan 4.420 nan 0.000 0.266 93 P C -1.700 175.667 177.300 0.110 0.000 1.193 93 P CA -0.589 62.554 63.100 0.071 0.000 0.770 93 P CB 0.277 31.953 31.700 -0.040 0.000 0.836 94 P HA -0.027 nan 4.420 nan 0.000 0.240 94 P C 0.675 178.002 177.300 0.045 0.000 1.190 94 P CA 0.908 64.039 63.100 0.052 0.000 0.781 94 P CB 0.351 32.076 31.700 0.041 0.000 0.931 95 E N -0.235 120.019 120.200 0.089 0.000 2.058 95 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 95 E C 2.206 178.830 176.600 0.041 0.000 0.997 95 E CA 1.131 57.580 56.400 0.082 0.000 0.801 95 E CB -1.476 28.349 29.700 0.208 0.000 0.746 95 E HN 0.471 nan 8.360 nan 0.000 0.450 96 H N 0.295 119.383 119.070 0.029 0.000 2.352 96 H HA -0.096 4.459 4.556 -0.001 0.000 0.299 96 H C 1.372 176.642 175.328 -0.096 0.000 1.097 96 H CA 1.958 57.997 56.048 -0.015 0.000 1.311 96 H CB 0.105 29.844 29.762 -0.038 0.000 1.377 96 H HN 0.163 nan 8.280 nan 0.000 0.504 97 T N 0.930 115.400 114.554 -0.140 0.000 2.833 97 T HA -0.102 4.247 4.350 -0.001 0.000 0.269 97 T C 2.170 176.747 174.700 -0.205 0.000 1.054 97 T CA 1.267 63.246 62.100 -0.201 0.000 1.135 97 T CB -0.077 68.740 68.868 -0.085 0.000 0.869 97 T HN 0.427 nan 8.240 nan 0.000 0.466 98 R N 0.395 120.799 120.500 -0.159 0.000 2.062 98 R HA 0.145 4.485 4.340 -0.001 0.000 0.229 98 R C 2.503 178.683 176.300 -0.199 0.000 1.128 98 R CA 0.895 56.902 56.100 -0.156 0.000 0.960 98 R CB -0.504 29.726 30.300 -0.116 0.000 0.855 98 R HN 0.320 nan 8.270 nan 0.000 0.432 99 L N 0.206 121.303 121.223 -0.211 0.000 2.017 99 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 99 L C 2.771 179.520 176.870 -0.202 0.000 1.073 99 L CA 1.326 56.081 54.840 -0.143 0.000 0.745 99 L CB -0.355 41.602 42.059 -0.171 0.000 0.894 99 L HN 0.133 nan 8.230 nan 0.000 0.432 100 R N 0.541 120.819 120.500 -0.370 0.000 2.080 100 R HA -0.243 4.097 4.340 -0.001 0.000 0.236 100 R C 2.465 178.601 176.300 -0.273 0.000 1.137 100 R CA 1.908 57.769 56.100 -0.398 0.000 0.943 100 R CB -0.351 29.606 30.300 -0.571 0.000 0.846 100 R HN 0.149 nan 8.270 nan 0.000 0.431 101 R N 0.486 120.850 120.500 -0.226 0.000 2.139 101 R HA -0.198 4.142 4.340 -0.001 0.000 0.243 101 R C 2.094 178.305 176.300 -0.148 0.000 1.145 101 R CA 2.130 58.149 56.100 -0.135 0.000 0.976 101 R CB -0.202 30.030 30.300 -0.113 0.000 0.866 101 R HN 0.230 nan 8.270 nan 0.000 0.449 102 K N 0.010 120.243 120.400 -0.279 0.000 2.155 102 K HA -0.118 4.201 4.320 -0.001 0.000 0.203 102 K C 1.748 178.275 176.600 -0.121 0.000 1.052 102 K CA 0.989 57.064 56.287 -0.353 0.000 0.948 102 K CB 0.031 32.391 32.500 -0.234 0.000 0.728 102 K HN 0.221 nan 8.250 nan 0.000 0.448 103 L N 0.468 121.505 121.223 -0.310 0.000 2.554 103 L HA 0.099 4.439 4.340 -0.001 0.000 0.225 103 L C 1.553 178.384 176.870 -0.064 0.000 1.104 103 L CA 1.094 55.671 54.840 -0.439 0.000 0.866 103 L CB -0.009 41.394 42.059 -1.092 0.000 1.047 103 L HN 0.024 nan 8.230 nan 0.000 0.468 104 T N 1.026 115.559 114.554 -0.035 0.000 2.759 104 T HA -0.097 4.253 4.350 -0.001 0.000 0.269 104 T C -0.567 174.227 174.700 0.156 0.000 1.042 104 T CA 1.814 63.957 62.100 0.071 0.000 1.140 104 T CB -0.859 68.017 68.868 0.014 0.000 0.864 104 T HN 0.284 nan 8.240 nan 0.000 0.455 105 P HA -0.078 nan 4.420 nan 0.000 0.218 105 P C 1.396 178.717 177.300 0.035 0.000 1.146 105 P CA 1.075 64.226 63.100 0.085 0.000 0.820 105 P CB -0.329 31.430 31.700 0.098 0.000 0.778 106 G N -3.018 105.804 108.800 0.036 0.000 2.985 106 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.209 106 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.209 106 G C 0.437 175.066 174.900 -0.451 0.000 1.165 106 G CA 0.056 45.029 45.100 -0.213 0.000 0.776 106 G HN 0.213 nan 8.290 nan 0.000 0.541 107 F N 1.256 121.182 119.950 -0.039 0.000 2.724 107 F HA 0.221 4.747 4.527 -0.001 0.000 0.310 107 F C 1.414 177.198 175.800 -0.026 0.000 1.107 107 F CA -0.891 57.089 58.000 -0.033 0.000 1.218 107 F CB -0.134 38.843 39.000 -0.039 0.000 1.042 107 F HN -0.056 nan 8.300 nan 0.000 0.540 108 T N -1.305 113.305 114.554 0.093 0.000 2.906 108 T HA 0.055 4.404 4.350 -0.001 0.000 0.320 108 T C 1.515 176.238 174.700 0.039 0.000 1.088 108 T CA -0.324 61.810 62.100 0.056 0.000 1.120 108 T CB 0.869 69.752 68.868 0.024 0.000 1.000 108 T HN 0.266 nan 8.240 nan 0.000 0.550 109 L N 1.127 122.371 121.223 0.034 0.000 2.127 109 L HA -0.126 4.213 4.340 -0.001 0.000 0.211 109 L C 3.174 180.055 176.870 0.018 0.000 1.089 109 L CA 1.319 56.176 54.840 0.028 0.000 0.757 109 L CB -0.531 41.542 42.059 0.023 0.000 0.899 109 L HN 0.710 nan 8.230 nan 0.000 0.434 110 R N 0.163 120.669 120.500 0.010 0.000 2.092 110 R HA -0.154 4.186 4.340 -0.001 0.000 0.231 110 R C 2.218 178.515 176.300 -0.004 0.000 1.119 110 R CA 0.995 57.098 56.100 0.004 0.000 0.970 110 R CB -0.392 29.908 30.300 -0.001 0.000 0.864 110 R HN 0.175 nan 8.270 nan 0.000 0.440 111 K N 0.456 120.846 120.400 -0.017 0.000 2.057 111 K HA -0.018 4.301 4.320 -0.001 0.000 0.207 111 K C 2.133 178.711 176.600 -0.037 0.000 1.049 111 K CA 1.281 57.542 56.287 -0.044 0.000 0.931 111 K CB -0.087 32.365 32.500 -0.079 0.000 0.714 111 K HN 0.002 nan 8.250 nan 0.000 0.440 112 M N 0.461 120.053 119.600 -0.013 0.000 2.117 112 M HA -0.146 4.333 4.480 -0.001 0.000 0.262 112 M C 2.023 178.336 176.300 0.022 0.000 1.065 112 M CA 1.645 56.948 55.300 0.006 0.000 1.114 112 M CB -1.017 31.601 32.600 0.030 0.000 1.361 112 M HN 0.208 nan 8.290 nan 0.000 0.408 113 Q N -0.362 119.453 119.800 0.024 0.000 2.096 113 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 113 Q C 2.175 178.200 176.000 0.042 0.000 0.982 113 Q CA 1.170 56.992 55.803 0.032 0.000 0.850 113 Q CB -0.161 28.592 28.738 0.026 0.000 0.901 113 Q HN 0.362 nan 8.270 nan 0.000 0.422 114 R N 0.055 120.577 120.500 0.037 0.000 2.148 114 R HA -0.012 4.328 4.340 -0.001 0.000 0.227 114 R C 1.929 178.305 176.300 0.126 0.000 1.103 114 R CA 0.970 57.110 56.100 0.067 0.000 0.983 114 R CB -0.268 30.053 30.300 0.036 0.000 0.874 114 R HN 0.429 nan 8.270 nan 0.000 0.451 115 M N -0.347 119.299 119.600 0.077 0.000 2.394 115 M HA 0.004 4.483 4.480 -0.001 0.000 0.264 115 M C 2.251 178.645 176.300 0.155 0.000 1.073 115 M CA 0.932 56.297 55.300 0.108 0.000 1.111 115 M CB -0.380 32.229 32.600 0.016 0.000 1.401 115 M HN 0.071 nan 8.290 nan 0.000 0.448 116 A N 1.721 124.601 122.820 0.099 0.000 1.896 116 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 116 A C -0.357 177.261 177.584 0.057 0.000 1.206 116 A CA 1.989 54.068 52.037 0.070 0.000 0.647 116 A CB -2.149 16.881 19.000 0.050 0.000 0.828 116 A HN 0.311 nan 8.150 nan 0.000 0.455 117 P HA -0.151 nan 4.420 nan 0.000 0.215 117 P C 0.952 178.168 177.300 -0.140 0.000 1.153 117 P CA 1.342 64.396 63.100 -0.077 0.000 0.853 117 P CB -0.212 31.399 31.700 -0.148 0.000 0.788 118 Y N -0.940 119.349 120.300 -0.019 0.000 2.242 118 Y HA -0.086 4.464 4.550 -0.001 0.000 0.291 118 Y C 2.344 178.231 175.900 -0.021 0.000 1.137 118 Y CA 0.925 59.012 58.100 -0.021 0.000 1.181 118 Y CB -1.098 37.347 38.460 -0.025 0.000 0.989 118 Y HN -0.127 nan 8.280 nan 0.000 0.527 119 I N -0.071 120.577 120.570 0.130 0.000 2.226 119 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 119 I C 2.031 178.156 176.117 0.014 0.000 1.100 119 I CA 1.481 62.818 61.300 0.061 0.000 1.374 119 I CB -0.384 37.644 38.000 0.046 0.000 1.057 119 I HN 0.279 nan 8.210 nan 0.000 0.413 120 E N 0.431 120.629 120.200 -0.003 0.000 2.077 120 E HA -0.307 4.042 4.350 -0.001 0.000 0.193 120 E C 2.171 178.743 176.600 -0.046 0.000 0.989 120 E CA 1.234 57.615 56.400 -0.032 0.000 0.800 120 E CB -0.143 29.533 29.700 -0.039 0.000 0.746 120 E HN 0.477 nan 8.360 nan 0.000 0.452 121 Q N 0.650 120.418 119.800 -0.053 0.000 2.061 121 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 121 Q C 2.216 178.199 176.000 -0.027 0.000 0.984 121 Q CA 1.392 57.160 55.803 -0.058 0.000 0.846 121 Q CB -0.054 28.631 28.738 -0.088 0.000 0.902 121 Q HN 0.300 nan 8.270 nan 0.000 0.421 122 I N -0.286 120.283 120.570 -0.001 0.000 2.179 122 I HA -0.285 3.885 4.170 -0.001 0.000 0.242 122 I C 2.243 178.353 176.117 -0.010 0.000 1.088 122 I CA 0.859 62.165 61.300 0.009 0.000 1.357 122 I CB -0.243 37.774 38.000 0.029 0.000 1.051 122 I HN 0.120 nan 8.210 nan 0.000 0.409 123 V N 1.150 121.048 119.914 -0.027 0.000 2.295 123 V HA -0.287 3.832 4.120 -0.001 0.000 0.246 123 V C 2.166 178.222 176.094 -0.063 0.000 1.049 123 V CA 1.956 64.225 62.300 -0.050 0.000 1.024 123 V CB -0.794 30.986 31.823 -0.071 0.000 0.648 123 V HN 0.465 nan 8.190 nan 0.000 0.447 124 N N 0.090 118.748 118.700 -0.070 0.000 2.223 124 N HA -0.158 4.581 4.740 -0.001 0.000 0.185 124 N C 1.517 176.991 175.510 -0.061 0.000 1.016 124 N CA 1.513 54.510 53.050 -0.088 0.000 0.863 124 N CB -0.323 38.109 38.487 -0.091 0.000 0.983 124 N HN 0.496 nan 8.380 nan 0.000 0.429 125 D N 0.753 121.134 120.400 -0.033 0.000 2.144 125 D HA -0.079 4.561 4.640 -0.001 0.000 0.199 125 D C 1.999 178.306 176.300 0.013 0.000 0.984 125 D CA 0.753 54.748 54.000 -0.009 0.000 0.834 125 D CB 0.045 40.846 40.800 0.003 0.000 0.955 125 D HN 0.147 nan 8.370 nan 0.000 0.465 126 R N 0.269 120.779 120.500 0.015 0.000 2.090 126 R HA 0.058 4.398 4.340 -0.001 0.000 0.228 126 R C 2.550 178.879 176.300 0.049 0.000 1.110 126 R CA 0.209 56.342 56.100 0.056 0.000 0.973 126 R CB -0.860 29.469 30.300 0.048 0.000 0.869 126 R HN 0.300 nan 8.270 nan 0.000 0.440 127 L N 0.859 122.073 121.223 -0.014 0.000 2.141 127 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 127 L C 1.706 178.555 176.870 -0.036 0.000 1.094 127 L CA 1.077 55.891 54.840 -0.043 0.000 0.763 127 L CB -0.396 41.566 42.059 -0.161 0.000 0.908 127 L HN 0.046 nan 8.230 nan 0.000 0.437 128 D N 0.171 120.551 120.400 -0.032 0.000 2.117 128 D HA -0.171 4.469 4.640 -0.001 0.000 0.198 128 D C 2.111 178.419 176.300 0.013 0.000 0.982 128 D CA 1.120 55.111 54.000 -0.015 0.000 0.828 128 D CB 0.020 40.815 40.800 -0.010 0.000 0.967 128 D HN 0.361 nan 8.370 nan 0.000 0.464 129 E N -0.144 120.084 120.200 0.048 0.000 2.150 129 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 129 E C 2.022 178.588 176.600 -0.057 0.000 0.985 129 E CA 0.493 56.959 56.400 0.110 0.000 0.814 129 E CB -0.038 29.812 29.700 0.250 0.000 0.752 129 E HN 0.242 nan 8.360 nan 0.000 0.466 130 M N 0.650 120.113 119.600 -0.228 0.000 2.156 130 M HA -0.170 4.309 4.480 -0.001 0.000 0.264 130 M C 2.296 178.384 176.300 -0.353 0.000 1.067 130 M CA 1.468 56.337 55.300 -0.719 0.000 1.131 130 M CB 0.131 32.411 32.600 -0.533 0.000 1.368 130 M HN -0.018 nan 8.290 nan 0.000 0.416 131 E N 0.157 120.287 120.200 -0.117 0.000 2.085 131 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 131 E C 1.970 178.646 176.600 0.127 0.000 0.994 131 E CA 1.336 57.788 56.400 0.087 0.000 0.801 131 E CB 0.002 29.796 29.700 0.156 0.000 0.743 131 E HN 0.498 nan 8.360 nan 0.000 0.453 132 R N -0.247 120.279 120.500 0.043 0.000 2.120 132 R HA -0.066 4.273 4.340 -0.001 0.000 0.234 132 R C 2.303 178.627 176.300 0.041 0.000 1.123 132 R CA 0.926 57.057 56.100 0.052 0.000 0.975 132 R CB -0.192 30.139 30.300 0.051 0.000 0.866 132 R HN 0.177 nan 8.270 nan 0.000 0.446 133 A N 0.829 123.636 122.820 -0.021 0.000 2.066 133 A HA 0.145 4.464 4.320 -0.001 0.000 0.218 133 A C 0.972 178.552 177.584 -0.007 0.000 1.157 133 A CA 1.007 53.034 52.037 -0.016 0.000 0.670 133 A CB -0.343 18.567 19.000 -0.150 0.000 0.804 133 A HN 0.461 nan 8.150 nan 0.000 0.453 134 G N -1.223 107.606 108.800 0.048 0.000 2.716 134 G HA2 0.057 4.017 3.960 -0.001 0.000 0.686 134 G HA3 0.057 4.017 3.960 -0.001 0.000 0.686 134 G C -0.089 174.628 174.900 -0.304 0.000 1.337 134 G CA -0.021 45.060 45.100 -0.033 0.000 0.829 134 G HN 1.245 nan 8.290 nan 0.000 0.599 135 S N 1.916 117.100 115.700 -0.859 0.000 2.545 135 S HA 0.729 5.198 4.470 -0.001 0.000 0.275 135 S C -0.877 173.375 174.600 -0.580 0.000 1.299 135 S CA -0.223 57.217 58.200 -1.268 0.000 1.048 135 S CB 0.635 62.659 63.200 -1.960 0.000 0.938 135 S HN 0.830 nan 8.310 nan 0.000 0.496 136 P HA 0.661 nan 4.420 nan 0.000 0.282 136 P C -1.398 175.809 177.300 -0.155 0.000 1.259 136 P CA -0.640 62.265 63.100 -0.324 0.000 0.826 136 P CB 1.479 33.067 31.700 -0.186 0.000 1.064 137 A N 0.671 123.478 122.820 -0.023 0.000 2.566 137 A HA 0.456 4.776 4.320 -0.001 0.000 0.292 137 A C -1.154 176.505 177.584 0.126 0.000 1.112 137 A CA -0.553 51.523 52.037 0.065 0.000 0.707 137 A CB 1.210 20.183 19.000 -0.045 0.000 1.302 137 A HN 0.504 nan 8.150 nan 0.000 0.409 138 D N 1.200 121.747 120.400 0.246 0.000 2.393 138 D HA 0.189 4.828 4.640 -0.001 0.000 0.232 138 D C 0.919 177.382 176.300 0.272 0.000 1.192 138 D CA -0.186 53.939 54.000 0.207 0.000 0.882 138 D CB 0.600 41.499 40.800 0.165 0.000 1.038 138 D HN 0.444 nan 8.370 nan 0.000 0.499 139 L N 4.784 126.088 121.223 0.135 0.000 2.191 139 L HA -0.152 4.187 4.340 -0.001 0.000 0.212 139 L C 1.610 178.543 176.870 0.104 0.000 1.103 139 L CA 0.962 55.863 54.840 0.100 0.000 0.769 139 L CB -0.015 42.052 42.059 0.014 0.000 0.908 139 L HN 0.477 nan 8.230 nan 0.000 0.438 140 I N 0.068 120.683 120.570 0.074 0.000 2.286 140 I HA -0.178 3.991 4.170 -0.001 0.000 0.245 140 I C 2.767 178.900 176.117 0.026 0.000 1.104 140 I CA 1.412 62.735 61.300 0.038 0.000 1.397 140 I CB -1.882 36.122 38.000 0.008 0.000 1.072 140 I HN 0.314 nan 8.210 nan 0.000 0.417 141 A N 0.431 123.257 122.820 0.010 0.000 1.898 141 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 141 A C 2.149 179.626 177.584 -0.177 0.000 1.181 141 A CA 1.354 53.317 52.037 -0.122 0.000 0.620 141 A CB -0.868 17.985 19.000 -0.244 0.000 0.819 141 A HN 0.310 nan 8.150 nan 0.000 0.442 142 F N -1.215 118.732 119.950 -0.005 0.000 2.270 142 F HA 0.026 4.552 4.527 -0.001 0.000 0.295 142 F C 2.041 177.832 175.800 -0.014 0.000 1.087 142 F CA 1.258 59.254 58.000 -0.006 0.000 1.365 142 F CB 0.180 39.177 39.000 -0.005 0.000 1.056 142 F HN 0.043 nan 8.300 nan 0.000 0.506 143 V N -1.470 118.540 119.914 0.159 0.000 3.001 143 V HA 0.210 4.330 4.120 -0.001 0.000 0.228 143 V C 2.238 178.349 176.094 0.029 0.000 1.204 143 V CA 0.774 63.117 62.300 0.070 0.000 1.247 143 V CB -0.989 30.854 31.823 0.034 0.000 1.093 143 V HN 0.103 nan 8.190 nan 0.000 0.504 144 A N 0.455 123.291 122.820 0.026 0.000 1.892 144 A HA -0.290 4.029 4.320 -0.001 0.000 0.218 144 A C 1.711 179.306 177.584 0.018 0.000 1.188 144 A CA 2.582 54.629 52.037 0.016 0.000 0.631 144 A CB -0.684 18.330 19.000 0.023 0.000 0.822 144 A HN 0.570 nan 8.150 nan 0.000 0.447 145 D N -1.095 119.314 120.400 0.016 0.000 2.355 145 D HA 0.023 4.662 4.640 -0.001 0.000 0.218 145 D C 1.731 178.042 176.300 0.019 0.000 1.004 145 D CA 0.622 54.632 54.000 0.015 0.000 0.880 145 D CB 0.153 40.953 40.800 -0.001 0.000 0.911 145 D HN 0.489 nan 8.370 nan 0.000 0.528 146 K N -0.204 120.207 120.400 0.017 0.000 2.306 146 K HA 0.119 4.439 4.320 -0.001 0.000 0.200 146 K C 2.096 178.711 176.600 0.026 0.000 1.083 146 K CA 0.185 56.483 56.287 0.020 0.000 0.959 146 K CB -0.159 32.352 32.500 0.018 0.000 0.994 146 K HN -0.024 nan 8.250 nan 0.000 0.492 147 V N 2.875 122.800 119.914 0.019 0.000 2.287 147 V HA -0.181 3.939 4.120 -0.001 0.000 0.248 147 V C -0.867 175.243 176.094 0.026 0.000 1.053 147 V CA 1.998 64.305 62.300 0.013 0.000 1.027 147 V CB -1.437 30.377 31.823 -0.014 0.000 0.646 147 V HN 0.128 nan 8.190 nan 0.000 0.447 148 P HA -0.163 nan 4.420 nan 0.000 0.214 148 P C 1.724 179.069 177.300 0.075 0.000 1.163 148 P CA 2.087 65.221 63.100 0.056 0.000 0.889 148 P CB -0.380 31.358 31.700 0.064 0.000 0.790 149 G N -0.425 108.422 108.800 0.078 0.000 2.408 149 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 149 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 149 G C 1.646 176.591 174.900 0.075 0.000 1.150 149 G CA 0.898 46.051 45.100 0.089 0.000 0.776 149 G HN 0.339 nan 8.290 nan 0.000 0.542 150 A N 0.187 123.039 122.820 0.054 0.000 1.898 150 A HA 0.105 4.424 4.320 -0.001 0.000 0.216 150 A C 2.588 180.196 177.584 0.041 0.000 1.181 150 A CA 1.676 53.739 52.037 0.043 0.000 0.620 150 A CB -0.617 18.404 19.000 0.035 0.000 0.819 150 A HN 0.231 nan 8.150 nan 0.000 0.442 151 V N 0.214 120.154 119.914 0.044 0.000 2.332 151 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 151 V C 2.570 178.686 176.094 0.037 0.000 1.055 151 V CA 2.031 64.354 62.300 0.039 0.000 1.038 151 V CB -0.724 31.125 31.823 0.043 0.000 0.651 151 V HN 0.577 nan 8.190 nan 0.000 0.450 152 L N -1.106 120.158 121.223 0.068 0.000 2.083 152 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 152 L C 2.605 179.511 176.870 0.060 0.000 1.083 152 L CA 1.434 56.327 54.840 0.089 0.000 0.752 152 L CB -0.694 41.453 42.059 0.148 0.000 0.899 152 L HN 0.392 nan 8.230 nan 0.000 0.433 153 C N -0.301 119.029 119.300 0.050 0.000 2.425 153 C HA -0.149 4.311 4.460 -0.001 0.000 0.277 153 C C 2.777 177.717 174.990 -0.082 0.000 1.280 153 C CA 0.926 59.930 59.018 -0.023 0.000 1.744 153 C CB -0.499 27.236 27.740 -0.008 0.000 1.989 153 C HN 0.526 nan 8.230 nan 0.000 0.491 154 E N 1.040 121.205 120.200 -0.058 0.000 2.072 154 E HA -0.178 4.172 4.350 -0.001 0.000 0.191 154 E C 1.911 178.420 176.600 -0.152 0.000 0.985 154 E CA 1.015 57.352 56.400 -0.105 0.000 0.801 154 E CB -0.476 29.183 29.700 -0.068 0.000 0.750 154 E HN 0.499 nan 8.360 nan 0.000 0.452 155 L N -0.317 120.837 121.223 -0.116 0.000 2.017 155 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 155 L C 2.221 178.994 176.870 -0.163 0.000 1.073 155 L CA 1.561 56.307 54.840 -0.157 0.000 0.745 155 L CB -0.562 41.422 42.059 -0.126 0.000 0.894 155 L HN 0.107 nan 8.230 nan 0.000 0.432 156 V N 0.220 120.072 119.914 -0.102 0.000 2.515 156 V HA 0.027 4.146 4.120 -0.001 0.000 0.250 156 V C 1.807 177.825 176.094 -0.126 0.000 1.058 156 V CA 1.470 63.720 62.300 -0.082 0.000 1.064 156 V CB -0.926 30.878 31.823 -0.031 0.000 0.675 156 V HN 0.823 nan 8.190 nan 0.000 0.461 157 G N -0.811 107.894 108.800 -0.159 0.000 2.148 157 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.157 157 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.157 157 G C -0.018 174.779 174.900 -0.170 0.000 1.012 157 G CA -0.116 44.889 45.100 -0.159 0.000 0.677 157 G HN 0.341 nan 8.290 nan 0.000 0.506 158 V N 1.803 121.585 119.914 -0.220 0.000 2.508 158 V HA 0.336 4.456 4.120 -0.001 0.000 0.281 158 V C -1.209 174.816 176.094 -0.114 0.000 1.041 158 V CA -1.129 61.030 62.300 -0.235 0.000 1.016 158 V CB 1.115 32.651 31.823 -0.478 0.000 0.984 158 V HN 0.146 nan 8.190 nan 0.000 0.478 159 P HA 0.038 nan 4.420 nan 0.000 0.264 159 P C 0.809 178.107 177.300 -0.004 0.000 1.179 159 P CA 0.152 63.245 63.100 -0.012 0.000 0.763 159 P CB 0.515 32.232 31.700 0.028 0.000 0.806 160 R N 2.629 123.131 120.500 0.005 0.000 2.096 160 R HA -0.190 4.150 4.340 -0.001 0.000 0.240 160 R C 1.002 177.313 176.300 0.019 0.000 1.139 160 R CA 1.897 58.006 56.100 0.015 0.000 0.952 160 R CB -0.365 29.952 30.300 0.027 0.000 0.854 160 R HN 0.485 nan 8.270 nan 0.000 0.436 161 D N -0.131 120.284 120.400 0.025 0.000 2.378 161 D HA -0.075 4.565 4.640 -0.001 0.000 0.227 161 D C 0.301 176.621 176.300 0.033 0.000 1.012 161 D CA 0.781 54.798 54.000 0.028 0.000 0.905 161 D CB 0.131 40.949 40.800 0.030 0.000 0.895 161 D HN 0.295 nan 8.370 nan 0.000 0.532 162 D N -0.482 119.941 120.400 0.038 0.000 2.407 162 D HA 0.091 4.730 4.640 -0.001 0.000 0.208 162 D C 1.879 178.187 176.300 0.013 0.000 1.083 162 D CA -0.114 53.905 54.000 0.031 0.000 0.844 162 D CB 0.293 41.152 40.800 0.097 0.000 0.967 162 D HN 0.072 nan 8.370 nan 0.000 0.506 163 R N 0.867 121.379 120.500 0.021 0.000 2.096 163 R HA -0.129 4.210 4.340 -0.001 0.000 0.240 163 R C 1.361 177.697 176.300 0.060 0.000 1.139 163 R CA 1.335 57.463 56.100 0.046 0.000 0.952 163 R CB -0.105 30.211 30.300 0.027 0.000 0.854 163 R HN 0.176 nan 8.270 nan 0.000 0.436 164 D N 0.498 120.912 120.400 0.023 0.000 2.092 164 D HA -0.218 4.422 4.640 -0.001 0.000 0.193 164 D C 1.858 178.149 176.300 -0.014 0.000 0.994 164 D CA 1.366 55.367 54.000 0.002 0.000 0.828 164 D CB -0.194 40.604 40.800 -0.002 0.000 0.963 164 D HN 0.216 nan 8.370 nan 0.000 0.450 165 M N -0.165 119.426 119.600 -0.015 0.000 2.080 165 M HA -0.221 4.259 4.480 -0.001 0.000 0.260 165 M C 2.221 178.482 176.300 -0.065 0.000 1.068 165 M CA 1.405 56.678 55.300 -0.046 0.000 1.109 165 M CB -0.242 32.322 32.600 -0.060 0.000 1.342 165 M HN -0.061 nan 8.290 nan 0.000 0.405 166 F N 1.153 120.969 119.950 -0.224 0.000 2.126 166 F HA -0.298 4.228 4.527 -0.001 0.000 0.299 166 F C 2.039 177.765 175.800 -0.123 0.000 1.096 166 F CA 1.723 59.596 58.000 -0.211 0.000 1.255 166 F CB -0.234 38.646 39.000 -0.200 0.000 0.997 166 F HN 0.176 nan 8.300 nan 0.000 0.479 167 M N 0.424 119.979 119.600 -0.075 0.000 2.080 167 M HA -0.223 4.257 4.480 -0.001 0.000 0.260 167 M C 2.084 178.149 176.300 -0.391 0.000 1.068 167 M CA 1.773 56.895 55.300 -0.297 0.000 1.109 167 M CB -1.319 31.159 32.600 -0.203 0.000 1.342 167 M HN 0.129 nan 8.290 nan 0.000 0.405 168 K N 0.106 120.378 120.400 -0.213 0.000 2.063 168 K HA -0.103 4.216 4.320 -0.001 0.000 0.208 168 K C 2.108 178.613 176.600 -0.159 0.000 1.048 168 K CA 1.098 57.298 56.287 -0.145 0.000 0.928 168 K CB -0.358 32.093 32.500 -0.082 0.000 0.713 168 K HN 0.285 nan 8.250 nan 0.000 0.442 169 L N 0.451 121.556 121.223 -0.197 0.000 2.093 169 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 169 L C 2.794 179.377 176.870 -0.478 0.000 1.085 169 L CA 0.737 55.455 54.840 -0.203 0.000 0.755 169 L CB -0.440 41.580 42.059 -0.065 0.000 0.904 169 L HN 0.399 nan 8.230 nan 0.000 0.435 170 C N -0.403 118.503 119.300 -0.657 0.000 2.462 170 C HA -0.181 4.278 4.460 -0.001 0.000 0.278 170 C C 2.731 177.605 174.990 -0.193 0.000 1.253 170 C CA 0.908 59.411 59.018 -0.857 0.000 1.713 170 C CB -0.831 26.529 27.740 -0.633 0.000 2.049 170 C HN 0.500 nan 8.230 nan 0.000 0.477 171 H N -0.619 118.319 119.070 -0.220 0.000 2.326 171 H HA -0.016 4.539 4.556 -0.001 0.000 0.301 171 H C 2.469 177.715 175.328 -0.138 0.000 1.081 171 H CA 0.993 56.952 56.048 -0.148 0.000 1.334 171 H CB -0.515 29.184 29.762 -0.105 0.000 1.385 171 H HN 0.597 nan 8.280 nan 0.000 0.504 172 G N 1.380 110.192 108.800 0.019 0.000 2.476 172 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.218 172 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.218 172 G C 1.413 176.300 174.900 -0.022 0.000 1.164 172 G CA 1.386 46.478 45.100 -0.014 0.000 0.768 172 G HN 0.608 nan 8.290 nan 0.000 0.560 173 H N 0.247 119.199 119.070 -0.197 0.000 2.567 173 H HA 0.194 4.750 4.556 -0.001 0.000 0.276 173 H C 1.445 176.689 175.328 -0.141 0.000 1.016 173 H CA 0.495 56.443 56.048 -0.167 0.000 1.186 173 H CB -0.259 29.374 29.762 -0.215 0.000 1.351 173 H HN 0.400 nan 8.280 nan 0.000 0.605 174 L N 0.119 121.072 121.223 -0.450 0.000 3.086 174 L HA 0.175 4.514 4.340 -0.001 0.000 0.274 174 L C -0.007 176.732 176.870 -0.217 0.000 1.184 174 L CA -0.238 54.351 54.840 -0.417 0.000 1.002 174 L CB 0.688 42.460 42.059 -0.479 0.000 1.383 174 L HN -0.034 nan 8.230 nan 0.000 0.582 175 D N 1.155 121.466 120.400 -0.149 0.000 2.352 175 D HA 0.273 4.912 4.640 -0.001 0.000 0.245 175 D C 1.008 177.257 176.300 -0.085 0.000 1.224 175 D CA 0.216 54.155 54.000 -0.102 0.000 0.879 175 D CB 1.889 42.650 40.800 -0.066 0.000 1.057 175 D HN 0.165 nan 8.370 nan 0.000 0.491 176 A N 3.137 125.906 122.820 -0.085 0.000 1.877 176 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 176 A C 2.082 179.636 177.584 -0.050 0.000 1.186 176 A CA 1.816 53.812 52.037 -0.067 0.000 0.620 176 A CB -0.784 18.175 19.000 -0.068 0.000 0.822 176 A HN 0.646 nan 8.150 nan 0.000 0.443 177 S N -0.711 114.960 115.700 -0.049 0.000 2.520 177 S HA -0.003 4.467 4.470 -0.001 0.000 0.249 177 S C 0.645 175.227 174.600 -0.031 0.000 0.983 177 S CA 0.526 58.703 58.200 -0.037 0.000 0.958 177 S CB -0.870 62.309 63.200 -0.036 0.000 0.750 177 S HN 0.383 nan 8.310 nan 0.000 0.527 178 L N 1.998 123.201 121.223 -0.033 0.000 2.416 178 L HA 0.413 4.752 4.340 -0.001 0.000 0.262 178 L C 0.903 177.761 176.870 -0.021 0.000 1.093 178 L CA -0.695 54.130 54.840 -0.025 0.000 0.801 178 L CB 1.241 43.285 42.059 -0.025 0.000 1.191 178 L HN 0.293 nan 8.230 nan 0.000 0.459 179 S N -0.054 115.637 115.700 -0.015 0.000 2.593 179 S HA 0.005 4.474 4.470 -0.001 0.000 0.269 179 S C 0.516 175.110 174.600 -0.010 0.000 1.334 179 S CA -0.416 57.777 58.200 -0.011 0.000 1.015 179 S CB 1.397 64.593 63.200 -0.007 0.000 0.912 179 S HN 0.635 nan 8.310 nan 0.000 0.541 180 Q N 1.235 121.030 119.800 -0.008 0.000 2.167 180 Q HA -0.057 4.283 4.340 -0.001 0.000 0.202 180 Q C 1.985 177.986 176.000 0.002 0.000 0.970 180 Q CA 1.864 57.664 55.803 -0.005 0.000 0.855 180 Q CB -0.345 28.391 28.738 -0.004 0.000 0.911 180 Q HN 0.860 nan 8.270 nan 0.000 0.438 181 K N -0.388 120.014 120.400 0.003 0.000 2.097 181 K HA -0.174 4.146 4.320 -0.001 0.000 0.205 181 K C 2.184 178.790 176.600 0.009 0.000 1.050 181 K CA 1.273 57.564 56.287 0.007 0.000 0.938 181 K CB -0.066 32.437 32.500 0.005 0.000 0.718 181 K HN 0.153 nan 8.250 nan 0.000 0.442 182 R N 0.568 121.071 120.500 0.005 0.000 2.057 182 R HA -0.073 4.266 4.340 -0.001 0.000 0.229 182 R C 2.441 178.747 176.300 0.010 0.000 1.136 182 R CA 1.329 57.433 56.100 0.006 0.000 0.952 182 R CB -0.190 30.110 30.300 -0.001 0.000 0.848 182 R HN 0.062 nan 8.270 nan 0.000 0.430 183 R N 0.018 120.521 120.500 0.005 0.000 2.105 183 R HA -0.124 4.216 4.340 -0.001 0.000 0.239 183 R C 1.970 178.291 176.300 0.036 0.000 1.135 183 R CA 1.686 57.792 56.100 0.010 0.000 0.967 183 R CB -0.302 29.990 30.300 -0.013 0.000 0.861 183 R HN 0.354 nan 8.270 nan 0.000 0.442 184 A N 0.293 123.132 122.820 0.031 0.000 1.968 184 A HA 0.006 4.325 4.320 -0.001 0.000 0.217 184 A C 2.278 179.892 177.584 0.049 0.000 1.169 184 A CA 1.341 53.404 52.037 0.044 0.000 0.638 184 A CB -0.545 18.473 19.000 0.031 0.000 0.812 184 A HN 0.523 nan 8.150 nan 0.000 0.446 185 A N -0.205 122.638 122.820 0.038 0.000 1.898 185 A HA 0.041 4.360 4.320 -0.001 0.000 0.216 185 A C 2.110 179.722 177.584 0.046 0.000 1.181 185 A CA 1.310 53.370 52.037 0.037 0.000 0.620 185 A CB -0.518 18.498 19.000 0.025 0.000 0.819 185 A HN 0.449 nan 8.150 nan 0.000 0.442 186 L N -0.797 120.453 121.223 0.045 0.000 2.141 186 L HA -0.082 4.258 4.340 -0.001 0.000 0.209 186 L C 2.738 179.653 176.870 0.075 0.000 1.094 186 L CA 0.956 55.823 54.840 0.045 0.000 0.763 186 L CB -0.609 41.466 42.059 0.026 0.000 0.908 186 L HN 0.498 nan 8.230 nan 0.000 0.437 187 G N -0.443 108.424 108.800 0.112 0.000 2.403 187 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.216 187 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.216 187 G C 1.164 176.146 174.900 0.136 0.000 1.154 187 G CA 0.866 46.057 45.100 0.151 0.000 0.784 187 G HN 0.373 nan 8.290 nan 0.000 0.538 188 D N 0.558 121.018 120.400 0.100 0.000 2.084 188 D HA -0.083 4.557 4.640 -0.001 0.000 0.194 188 D C 2.374 178.724 176.300 0.083 0.000 0.990 188 D CA 1.168 55.216 54.000 0.080 0.000 0.826 188 D CB -0.132 40.703 40.800 0.059 0.000 0.971 188 D HN 0.248 nan 8.370 nan 0.000 0.453 189 K N -0.991 119.461 120.400 0.087 0.000 2.097 189 K HA -0.124 4.196 4.320 -0.001 0.000 0.206 189 K C 2.079 178.757 176.600 0.130 0.000 1.049 189 K CA 0.894 57.238 56.287 0.095 0.000 0.933 189 K CB -0.354 32.192 32.500 0.077 0.000 0.717 189 K HN 0.191 nan 8.250 nan 0.000 0.442 190 F N 2.026 121.938 119.950 -0.063 0.000 2.069 190 F HA -0.281 4.246 4.527 -0.001 0.000 0.298 190 F C 2.560 178.345 175.800 -0.024 0.000 1.113 190 F CA 2.018 59.941 58.000 -0.129 0.000 1.214 190 F CB -0.699 38.066 39.000 -0.392 0.000 0.978 190 F HN 0.034 nan 8.300 nan 0.000 0.474 191 S N 0.029 115.701 115.700 -0.046 0.000 2.382 191 S HA -0.236 4.234 4.470 -0.001 0.000 0.228 191 S C 2.247 176.795 174.600 -0.086 0.000 1.027 191 S CA 1.169 59.296 58.200 -0.121 0.000 0.991 191 S CB -0.769 62.442 63.200 0.018 0.000 0.823 191 S HN 0.484 nan 8.310 nan 0.000 0.469 192 R N -0.277 120.218 120.500 -0.008 0.000 2.083 192 R HA -0.080 4.259 4.340 -0.001 0.000 0.237 192 R C 2.318 178.622 176.300 0.006 0.000 1.137 192 R CA 1.782 57.886 56.100 0.007 0.000 0.951 192 R CB -0.646 29.678 30.300 0.041 0.000 0.851 192 R HN 0.622 nan 8.270 nan 0.000 0.434 193 Y N 0.492 120.742 120.300 -0.084 0.000 2.181 193 Y HA -0.186 4.364 4.550 -0.001 0.000 0.288 193 Y C 1.913 177.750 175.900 -0.104 0.000 1.146 193 Y CA 1.568 59.631 58.100 -0.061 0.000 1.164 193 Y CB -0.107 38.354 38.460 0.002 0.000 0.982 193 Y HN 0.065 nan 8.280 nan 0.000 0.515 194 L N -0.807 120.393 121.223 -0.038 0.000 2.046 194 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 194 L C 2.313 179.102 176.870 -0.134 0.000 1.077 194 L CA 1.214 55.979 54.840 -0.126 0.000 0.747 194 L CB -0.421 41.424 42.059 -0.358 0.000 0.896 194 L HN 0.328 nan 8.230 nan 0.000 0.432 195 L N -0.578 120.571 121.223 -0.123 0.000 2.046 195 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 195 L C 2.607 179.409 176.870 -0.114 0.000 1.077 195 L CA 1.775 56.558 54.840 -0.095 0.000 0.747 195 L CB -0.479 41.539 42.059 -0.067 0.000 0.896 195 L HN 0.212 nan 8.230 nan 0.000 0.432 196 A N -1.119 121.607 122.820 -0.156 0.000 1.930 196 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 196 A C 2.333 179.785 177.584 -0.220 0.000 1.175 196 A CA 1.906 53.834 52.037 -0.182 0.000 0.627 196 A CB -0.579 18.290 19.000 -0.220 0.000 0.815 196 A HN 0.523 nan 8.150 nan 0.000 0.443 197 M N -0.461 118.965 119.600 -0.291 0.000 2.099 197 M HA -0.069 4.410 4.480 -0.001 0.000 0.262 197 M C 1.905 178.117 176.300 -0.145 0.000 1.067 197 M CA 1.783 56.927 55.300 -0.259 0.000 1.124 197 M CB -0.299 32.133 32.600 -0.280 0.000 1.353 197 M HN 0.386 nan 8.290 nan 0.000 0.410 198 I N 0.573 121.077 120.570 -0.110 0.000 2.208 198 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 198 I C 2.637 178.718 176.117 -0.061 0.000 1.097 198 I CA 1.307 62.568 61.300 -0.065 0.000 1.363 198 I CB -0.667 37.305 38.000 -0.047 0.000 1.051 198 I HN 0.436 nan 8.210 nan 0.000 0.413 199 A N 0.736 123.512 122.820 -0.073 0.000 1.902 199 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 199 A C 2.395 179.942 177.584 -0.062 0.000 1.181 199 A CA 1.491 53.491 52.037 -0.061 0.000 0.623 199 A CB -0.567 18.394 19.000 -0.064 0.000 0.818 199 A HN 0.311 nan 8.150 nan 0.000 0.443 200 R N -0.607 119.844 120.500 -0.082 0.000 2.096 200 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 200 R C 1.971 178.233 176.300 -0.063 0.000 1.127 200 R CA 1.319 57.373 56.100 -0.076 0.000 0.968 200 R CB -0.235 30.005 30.300 -0.099 0.000 0.861 200 R HN 0.478 nan 8.270 nan 0.000 0.440 201 E N 0.432 120.594 120.200 -0.063 0.000 2.150 201 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 201 E C 1.947 178.528 176.600 -0.033 0.000 0.985 201 E CA 1.024 57.395 56.400 -0.048 0.000 0.814 201 E CB -0.024 29.651 29.700 -0.043 0.000 0.752 201 E HN 0.329 nan 8.360 nan 0.000 0.466 202 R N 0.450 120.933 120.500 -0.029 0.000 2.115 202 R HA -0.050 4.290 4.340 -0.001 0.000 0.226 202 R C 2.234 178.521 176.300 -0.023 0.000 1.100 202 R CA 0.960 57.048 56.100 -0.019 0.000 0.980 202 R CB -0.030 30.261 30.300 -0.015 0.000 0.875 202 R HN -0.097 nan 8.270 nan 0.000 0.445 203 K N 1.228 121.610 120.400 -0.030 0.000 2.031 203 K HA -0.094 4.226 4.320 -0.001 0.000 0.205 203 K C 0.246 176.829 176.600 -0.028 0.000 1.049 203 K CA 1.276 57.546 56.287 -0.029 0.000 0.939 203 K CB 0.343 32.824 32.500 -0.033 0.000 0.717 203 K HN 0.003 nan 8.250 nan 0.000 0.438 204 E N 0.252 120.432 120.200 -0.033 0.000 2.642 204 E HA 0.238 4.588 4.350 -0.001 0.000 0.284 204 E C -2.645 173.933 176.600 -0.037 0.000 1.039 204 E CA -2.157 54.223 56.400 -0.033 0.000 0.777 204 E CB 0.977 30.657 29.700 -0.033 0.000 1.473 204 E HN -0.076 nan 8.360 nan 0.000 0.388 205 P HA 0.048 nan 4.420 nan 0.000 0.261 205 P C -0.061 177.212 177.300 -0.045 0.000 1.173 205 P CA 0.351 63.428 63.100 -0.038 0.000 0.760 205 P CB 0.976 32.656 31.700 -0.033 0.000 0.783 206 G N 2.119 110.885 108.800 -0.055 0.000 2.613 206 G HA2 0.171 4.131 3.960 -0.001 0.000 0.303 206 G HA3 0.171 4.131 3.960 -0.001 0.000 0.303 206 G C 0.438 175.292 174.900 -0.076 0.000 1.312 206 G CA -0.386 44.674 45.100 -0.066 0.000 1.036 206 G HN 0.311 nan 8.290 nan 0.000 0.513 207 E N -0.186 119.958 120.200 -0.093 0.000 2.482 207 E HA 0.042 4.392 4.350 -0.001 0.000 0.196 207 E C 1.652 178.170 176.600 -0.137 0.000 1.047 207 E CA 0.199 56.534 56.400 -0.108 0.000 0.869 207 E CB -0.141 29.488 29.700 -0.117 0.000 0.836 207 E HN 0.413 nan 8.360 nan 0.000 0.520 208 G N 0.768 109.484 108.800 -0.139 0.000 2.684 208 G HA2 0.041 4.000 3.960 -0.001 0.000 0.255 208 G HA3 0.041 4.000 3.960 -0.001 0.000 0.255 208 G C 0.952 175.769 174.900 -0.139 0.000 1.219 208 G CA -0.263 44.744 45.100 -0.155 0.000 0.901 208 G HN 0.114 nan 8.290 nan 0.000 0.548 209 M N -0.152 119.350 119.600 -0.163 0.000 2.082 209 M HA -0.123 4.356 4.480 -0.001 0.000 0.258 209 M C 2.321 178.598 176.300 -0.037 0.000 1.069 209 M CA 1.716 56.923 55.300 -0.154 0.000 1.102 209 M CB -0.285 32.214 32.600 -0.169 0.000 1.336 209 M HN 0.562 nan 8.290 nan 0.000 0.404 210 I N -0.407 120.157 120.570 -0.010 0.000 2.202 210 I HA -0.167 4.003 4.170 -0.001 0.000 0.242 210 I C 2.577 178.704 176.117 0.017 0.000 1.091 210 I CA 1.318 62.640 61.300 0.037 0.000 1.368 210 I CB -1.112 36.902 38.000 0.023 0.000 1.058 210 I HN 0.463 nan 8.210 nan 0.000 0.410 211 G N 0.588 109.374 108.800 -0.024 0.000 2.442 211 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.219 211 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.219 211 G C 1.856 176.744 174.900 -0.019 0.000 1.141 211 G CA 0.876 45.959 45.100 -0.028 0.000 0.763 211 G HN 0.492 nan 8.290 nan 0.000 0.554 212 A N 0.035 122.839 122.820 -0.027 0.000 1.898 212 A HA 0.108 4.427 4.320 -0.001 0.000 0.216 212 A C 2.607 180.206 177.584 0.025 0.000 1.181 212 A CA 1.790 53.814 52.037 -0.021 0.000 0.620 212 A CB -0.539 18.434 19.000 -0.045 0.000 0.819 212 A HN 0.251 nan 8.150 nan 0.000 0.442 213 V N 0.317 120.276 119.914 0.075 0.000 2.307 213 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 213 V C 2.734 178.930 176.094 0.170 0.000 1.045 213 V CA 2.006 64.411 62.300 0.176 0.000 1.024 213 V CB -0.871 31.085 31.823 0.220 0.000 0.651 213 V HN 0.586 nan 8.190 nan 0.000 0.449 214 V N -0.900 119.076 119.914 0.104 0.000 2.626 214 V HA -0.055 4.065 4.120 -0.001 0.000 0.252 214 V C 2.429 178.542 176.094 0.031 0.000 1.067 214 V CA 1.679 64.026 62.300 0.077 0.000 1.081 214 V CB -1.259 30.591 31.823 0.045 0.000 0.686 214 V HN 0.369 nan 8.190 nan 0.000 0.468 215 A N 0.581 123.401 122.820 0.001 0.000 1.930 215 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 215 A C 2.208 179.743 177.584 -0.082 0.000 1.175 215 A CA 1.986 54.001 52.037 -0.037 0.000 0.627 215 A CB -0.507 18.467 19.000 -0.044 0.000 0.815 215 A HN 0.628 nan 8.150 nan 0.000 0.443 216 E N -1.283 118.842 120.200 -0.126 0.000 2.086 216 E HA -0.052 4.297 4.350 -0.001 0.000 0.190 216 E C 0.991 177.296 176.600 -0.493 0.000 0.975 216 E CA 1.227 57.418 56.400 -0.348 0.000 0.813 216 E CB -0.264 29.143 29.700 -0.488 0.000 0.768 216 E HN 0.698 nan 8.360 nan 0.000 0.457 217 Y N -0.710 119.599 120.300 0.014 0.000 2.481 217 Y HA 0.374 4.923 4.550 -0.001 0.000 0.247 217 Y C 1.350 177.258 175.900 0.014 0.000 1.151 217 Y CA -0.135 57.975 58.100 0.017 0.000 1.238 217 Y CB 0.659 39.138 38.460 0.031 0.000 1.179 217 Y HN 0.199 nan 8.280 nan 0.000 0.524 218 G N 1.254 110.114 108.800 0.101 0.000 2.661 218 G HA2 -0.443 3.516 3.960 -0.001 0.000 0.327 218 G HA3 -0.443 3.516 3.960 -0.001 0.000 0.327 218 G C 0.769 175.715 174.900 0.076 0.000 1.320 218 G CA 1.149 46.289 45.100 0.066 0.000 0.997 218 G HN 0.335 nan 8.290 nan 0.000 0.543 219 D N 0.992 121.423 120.400 0.052 0.000 2.310 219 D HA 0.031 4.670 4.640 -0.001 0.000 0.212 219 D C 1.953 178.279 176.300 0.043 0.000 0.965 219 D CA 1.176 55.198 54.000 0.038 0.000 0.879 219 D CB -0.359 40.455 40.800 0.023 0.000 0.921 219 D HN 0.397 nan 8.370 nan 0.000 0.510 220 D N 0.529 120.972 120.400 0.072 0.000 2.221 220 D HA -0.084 4.555 4.640 -0.001 0.000 0.204 220 D C 0.630 176.947 176.300 0.029 0.000 0.982 220 D CA 0.665 54.701 54.000 0.059 0.000 0.857 220 D CB -0.113 40.753 40.800 0.109 0.000 0.934 220 D HN 0.115 nan 8.370 nan 0.000 0.475 221 A N 1.087 123.944 122.820 0.062 0.000 2.391 221 A HA 0.420 4.739 4.320 -0.001 0.000 0.316 221 A C 0.703 178.287 177.584 -0.000 0.000 1.381 221 A CA -0.527 51.533 52.037 0.038 0.000 0.998 221 A CB -0.095 18.981 19.000 0.126 0.000 1.147 221 A HN 0.128 nan 8.150 nan 0.000 0.545 222 T N -0.132 114.393 114.554 -0.048 0.000 2.766 222 T HA 0.172 4.522 4.350 -0.001 0.000 0.295 222 T C 0.460 175.121 174.700 -0.065 0.000 1.024 222 T CA -0.021 62.050 62.100 -0.049 0.000 1.018 222 T CB 0.573 69.406 68.868 -0.058 0.000 1.002 222 T HN 0.472 nan 8.240 nan 0.000 0.532 223 D N 0.138 120.510 120.400 -0.047 0.000 2.144 223 D HA -0.089 4.550 4.640 -0.001 0.000 0.199 223 D C 2.060 178.321 176.300 -0.065 0.000 0.984 223 D CA 0.960 54.933 54.000 -0.045 0.000 0.834 223 D CB -0.103 40.678 40.800 -0.032 0.000 0.955 223 D HN 0.610 nan 8.370 nan 0.000 0.465 224 E N 0.917 121.076 120.200 -0.068 0.000 2.085 224 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 224 E C 2.031 178.538 176.600 -0.154 0.000 0.994 224 E CA 0.762 57.120 56.400 -0.070 0.000 0.801 224 E CB -0.077 29.594 29.700 -0.048 0.000 0.743 224 E HN 0.487 nan 8.360 nan 0.000 0.453 225 E N 0.469 120.516 120.200 -0.256 0.000 2.031 225 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 225 E C 2.374 178.523 176.600 -0.752 0.000 0.994 225 E CA 0.804 56.858 56.400 -0.577 0.000 0.800 225 E CB -0.131 29.227 29.700 -0.570 0.000 0.752 225 E HN 0.169 nan 8.360 nan 0.000 0.447 226 L N 0.524 121.537 121.223 -0.349 0.000 2.083 226 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 226 L C 2.751 179.630 176.870 0.015 0.000 1.083 226 L CA 1.157 55.951 54.840 -0.077 0.000 0.752 226 L CB -0.373 41.702 42.059 0.026 0.000 0.899 226 L HN 0.091 nan 8.230 nan 0.000 0.433 227 R N 0.241 120.729 120.500 -0.020 0.000 2.081 227 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 227 R C 2.267 178.642 176.300 0.125 0.000 1.131 227 R CA 1.482 57.619 56.100 0.062 0.000 0.960 227 R CB -0.488 29.836 30.300 0.040 0.000 0.856 227 R HN 0.369 nan 8.270 nan 0.000 0.436 228 G N 0.233 109.047 108.800 0.022 0.000 2.421 228 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 228 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 228 G C 1.400 176.437 174.900 0.228 0.000 1.171 228 G CA 0.738 45.886 45.100 0.079 0.000 0.775 228 G HN 0.338 nan 8.290 nan 0.000 0.543 229 F N 0.481 120.513 119.950 0.137 0.000 2.095 229 F HA -0.187 4.339 4.527 -0.001 0.000 0.298 229 F C 3.157 179.075 175.800 0.196 0.000 1.104 229 F CA 0.630 58.720 58.000 0.151 0.000 1.232 229 F CB -0.437 38.645 39.000 0.136 0.000 0.987 229 F HN 0.170 nan 8.300 nan 0.000 0.475 230 C N -0.082 119.464 119.300 0.410 0.000 2.413 230 C HA -0.167 4.292 4.460 -0.001 0.000 0.277 230 C C 2.791 178.009 174.990 0.381 0.000 1.228 230 C CA 0.852 60.095 59.018 0.376 0.000 1.731 230 C CB -1.029 26.932 27.740 0.368 0.000 2.042 230 C HN 0.305 nan 8.230 nan 0.000 0.468 231 V N 0.495 120.630 119.914 0.369 0.000 2.261 231 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 231 V C 2.490 178.738 176.094 0.256 0.000 1.047 231 V CA 2.294 64.788 62.300 0.323 0.000 1.015 231 V CB -1.044 30.963 31.823 0.306 0.000 0.642 231 V HN 0.631 nan 8.190 nan 0.000 0.446 232 Q N -0.125 119.829 119.800 0.257 0.000 2.077 232 Q HA -0.221 4.119 4.340 -0.001 0.000 0.206 232 Q C 2.241 178.369 176.000 0.213 0.000 0.989 232 Q CA 2.548 58.484 55.803 0.222 0.000 0.853 232 Q CB -0.171 28.719 28.738 0.253 0.000 0.907 232 Q HN 0.507 nan 8.270 nan 0.000 0.418 233 V N 0.712 120.778 119.914 0.254 0.000 2.358 233 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 233 V C 2.449 178.688 176.094 0.241 0.000 1.047 233 V CA 1.542 63.995 62.300 0.255 0.000 1.035 233 V CB -0.459 31.562 31.823 0.330 0.000 0.658 233 V HN 0.478 nan 8.190 nan 0.000 0.452 234 M N -0.730 119.028 119.600 0.263 0.000 2.159 234 M HA -0.111 4.369 4.480 -0.001 0.000 0.263 234 M C 2.081 178.513 176.300 0.221 0.000 1.063 234 M CA 1.803 57.259 55.300 0.261 0.000 1.110 234 M CB -1.004 31.772 32.600 0.294 0.000 1.374 234 M HN 0.299 nan 8.290 nan 0.000 0.411 235 L N -1.123 120.205 121.223 0.175 0.000 2.270 235 L HA 0.014 4.353 4.340 -0.001 0.000 0.210 235 L C 2.535 179.462 176.870 0.096 0.000 1.104 235 L CA 0.544 55.446 54.840 0.104 0.000 0.804 235 L CB -0.728 41.366 42.059 0.059 0.000 0.937 235 L HN 0.198 nan 8.230 nan 0.000 0.450 236 A N 0.080 122.975 122.820 0.124 0.000 2.016 236 A HA 0.069 4.389 4.320 -0.001 0.000 0.217 236 A C 1.942 179.602 177.584 0.127 0.000 1.162 236 A CA 1.255 53.363 52.037 0.119 0.000 0.662 236 A CB -0.505 18.569 19.000 0.123 0.000 0.812 236 A HN 0.381 nan 8.150 nan 0.000 0.450 237 G N -1.388 107.499 108.800 0.145 0.000 3.605 237 G HA2 0.271 4.230 3.960 -0.001 0.000 0.277 237 G HA3 0.271 4.230 3.960 -0.001 0.000 0.277 237 G C 0.483 175.462 174.900 0.131 0.000 1.093 237 G CA 0.640 45.828 45.100 0.147 0.000 0.821 237 G HN 0.322 nan 8.290 nan 0.000 0.532 238 D N 0.356 120.827 120.400 0.117 0.000 3.032 238 D HA -0.032 4.608 4.640 -0.001 0.000 0.280 238 D C 1.465 177.811 176.300 0.077 0.000 1.381 238 D CA 0.179 54.244 54.000 0.107 0.000 1.068 238 D CB 0.473 41.353 40.800 0.133 0.000 1.148 238 D HN -0.050 nan 8.370 nan 0.000 0.401 239 D N 0.742 121.177 120.400 0.057 0.000 2.133 239 D HA -0.143 4.496 4.640 -0.001 0.000 0.195 239 D C 1.710 178.039 176.300 0.049 0.000 0.997 239 D CA 0.782 54.807 54.000 0.042 0.000 0.840 239 D CB -0.383 40.433 40.800 0.027 0.000 0.947 239 D HN 0.191 nan 8.370 nan 0.000 0.452 240 N N 0.406 119.141 118.700 0.058 0.000 2.061 240 N HA -0.131 4.609 4.740 -0.001 0.000 0.193 240 N C 1.842 177.392 175.510 0.067 0.000 1.030 240 N CA 0.662 53.746 53.050 0.057 0.000 0.856 240 N CB -0.201 38.334 38.487 0.079 0.000 1.023 240 N HN 0.240 nan 8.380 nan 0.000 0.424 241 I N 1.061 121.678 120.570 0.079 0.000 2.233 241 I HA -0.156 4.013 4.170 -0.001 0.000 0.243 241 I C 2.395 178.543 176.117 0.052 0.000 1.093 241 I CA 0.971 62.314 61.300 0.072 0.000 1.380 241 I CB -1.496 36.545 38.000 0.069 0.000 1.067 241 I HN 0.140 nan 8.210 nan 0.000 0.413 242 S N 1.269 116.998 115.700 0.047 0.000 2.383 242 S HA -0.127 4.343 4.470 -0.001 0.000 0.229 242 S C 2.214 176.839 174.600 0.042 0.000 1.030 242 S CA 1.247 59.470 58.200 0.037 0.000 1.002 242 S CB -1.394 61.827 63.200 0.034 0.000 0.829 242 S HN 0.450 nan 8.310 nan 0.000 0.467 243 G N 1.879 110.705 108.800 0.043 0.000 2.421 243 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.216 243 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.216 243 G C 1.494 176.436 174.900 0.071 0.000 1.171 243 G CA 1.149 46.271 45.100 0.037 0.000 0.775 243 G HN 0.359 nan 8.290 nan 0.000 0.543 244 M N 0.353 120.011 119.600 0.096 0.000 2.159 244 M HA 0.080 4.559 4.480 -0.001 0.000 0.263 244 M C 2.626 179.084 176.300 0.264 0.000 1.063 244 M CA 0.875 56.276 55.300 0.168 0.000 1.110 244 M CB -0.894 31.807 32.600 0.168 0.000 1.374 244 M HN 0.249 nan 8.290 nan 0.000 0.411 245 I N -0.633 120.039 120.570 0.169 0.000 2.179 245 I HA -0.205 3.965 4.170 -0.001 0.000 0.242 245 I C 2.550 178.801 176.117 0.224 0.000 1.088 245 I CA 1.422 62.830 61.300 0.179 0.000 1.357 245 I CB -1.004 37.002 38.000 0.009 0.000 1.051 245 I HN 0.309 nan 8.210 nan 0.000 0.409 246 G N 1.134 110.007 108.800 0.120 0.000 2.453 246 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.215 246 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.215 246 G C 1.685 176.641 174.900 0.093 0.000 1.201 246 G CA 0.536 45.683 45.100 0.078 0.000 0.784 246 G HN 0.250 nan 8.290 nan 0.000 0.545 247 L N 0.989 122.269 121.223 0.095 0.000 2.083 247 L HA 0.030 4.370 4.340 -0.001 0.000 0.209 247 L C 3.167 180.141 176.870 0.173 0.000 1.083 247 L CA 0.880 55.791 54.840 0.118 0.000 0.752 247 L CB -0.644 41.489 42.059 0.123 0.000 0.899 247 L HN 0.335 nan 8.230 nan 0.000 0.433 248 G N -0.346 108.585 108.800 0.220 0.000 2.421 248 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.216 248 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.216 248 G C 1.584 176.536 174.900 0.087 0.000 1.171 248 G CA 0.922 46.124 45.100 0.171 0.000 0.775 248 G HN 0.192 nan 8.290 nan 0.000 0.543 249 V N 0.574 120.615 119.914 0.212 0.000 2.427 249 V HA -0.090 4.029 4.120 -0.001 0.000 0.248 249 V C 2.646 178.870 176.094 0.218 0.000 1.051 249 V CA 1.498 63.939 62.300 0.235 0.000 1.048 249 V CB -0.261 31.639 31.823 0.128 0.000 0.666 249 V HN 0.351 nan 8.190 nan 0.000 0.456 250 L N 1.029 122.343 121.223 0.152 0.000 2.056 250 L HA -0.026 4.313 4.340 -0.001 0.000 0.207 250 L C 2.458 179.428 176.870 0.167 0.000 1.078 250 L CA 2.357 57.273 54.840 0.127 0.000 0.749 250 L CB -1.000 41.104 42.059 0.075 0.000 0.901 250 L HN 0.204 nan 8.230 nan 0.000 0.433 251 A N -0.765 122.175 122.820 0.199 0.000 1.902 251 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 251 A C 2.180 179.911 177.584 0.246 0.000 1.181 251 A CA 2.138 54.328 52.037 0.256 0.000 0.623 251 A CB -0.523 18.629 19.000 0.252 0.000 0.818 251 A HN 0.484 nan 8.150 nan 0.000 0.443 252 M N -0.494 119.204 119.600 0.164 0.000 2.200 252 M HA 0.041 4.521 4.480 -0.001 0.000 0.265 252 M C 2.047 178.423 176.300 0.126 0.000 1.066 252 M CA 1.082 56.436 55.300 0.091 0.000 1.127 252 M CB -1.358 31.228 32.600 -0.024 0.000 1.379 252 M HN 0.376 nan 8.290 nan 0.000 0.420 253 L N -0.800 120.553 121.223 0.217 0.000 2.275 253 L HA -0.155 4.184 4.340 -0.001 0.000 0.215 253 L C 2.281 179.184 176.870 0.055 0.000 1.119 253 L CA 0.811 55.759 54.840 0.179 0.000 0.790 253 L CB -0.456 41.720 42.059 0.195 0.000 0.919 253 L HN 0.293 nan 8.230 nan 0.000 0.443 254 R N -1.124 119.380 120.500 0.008 0.000 2.297 254 R HA 0.026 4.365 4.340 -0.001 0.000 0.197 254 R C -0.129 175.848 176.300 -0.538 0.000 0.943 254 R CA 0.378 56.348 56.100 -0.217 0.000 1.038 254 R CB 0.142 30.308 30.300 -0.224 0.000 0.957 254 R HN 0.415 nan 8.270 nan 0.000 0.484 255 H N -0.886 118.175 119.070 -0.015 0.000 2.597 255 H HA 0.133 4.688 4.556 -0.001 0.000 0.225 255 H C -1.931 173.351 175.328 -0.076 0.000 1.422 255 H CA -1.479 54.537 56.048 -0.052 0.000 1.335 255 H CB 0.909 30.617 29.762 -0.090 0.000 1.783 255 H HN -0.033 nan 8.280 nan 0.000 0.513 256 P HA -0.268 nan 4.420 nan 0.000 0.217 256 P C 1.407 178.666 177.300 -0.069 0.000 1.148 256 P CA 1.338 64.416 63.100 -0.037 0.000 0.828 256 P CB 0.750 32.449 31.700 -0.001 0.000 0.783 257 E N 0.236 120.413 120.200 -0.039 0.000 2.204 257 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 257 E C 2.039 178.588 176.600 -0.085 0.000 0.989 257 E CA 0.721 57.091 56.400 -0.050 0.000 0.824 257 E CB -0.230 29.453 29.700 -0.027 0.000 0.756 257 E HN 0.333 nan 8.360 nan 0.000 0.477 258 Q N -0.117 119.627 119.800 -0.092 0.000 2.472 258 Q HA -0.023 4.317 4.340 -0.001 0.000 0.208 258 Q C 1.931 177.807 176.000 -0.207 0.000 0.958 258 Q CA 0.343 56.061 55.803 -0.141 0.000 0.932 258 Q CB 0.145 28.802 28.738 -0.136 0.000 1.007 258 Q HN 0.438 nan 8.270 nan 0.000 0.508 259 I N 1.084 121.505 120.570 -0.248 0.000 2.756 259 I HA -0.221 3.949 4.170 -0.001 0.000 0.262 259 I C 1.065 177.046 176.117 -0.226 0.000 1.225 259 I CA 0.614 61.685 61.300 -0.381 0.000 1.472 259 I CB -0.111 37.486 38.000 -0.670 0.000 1.094 259 I HN 0.086 nan 8.210 nan 0.000 0.454 260 D N 1.448 121.746 120.400 -0.169 0.000 2.263 260 D HA -0.142 4.498 4.640 -0.001 0.000 0.208 260 D C 2.217 178.434 176.300 -0.138 0.000 0.971 260 D CA 1.188 55.121 54.000 -0.113 0.000 0.867 260 D CB -0.065 40.681 40.800 -0.089 0.000 0.929 260 D HN 0.353 nan 8.370 nan 0.000 0.492 261 A N -0.562 122.110 122.820 -0.246 0.000 2.172 261 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 261 A C 1.463 178.769 177.584 -0.464 0.000 1.154 261 A CA 0.584 52.400 52.037 -0.368 0.000 0.701 261 A CB -0.646 18.051 19.000 -0.504 0.000 0.789 261 A HN 0.210 nan 8.150 nan 0.000 0.465 262 F N -1.292 118.617 119.950 -0.068 0.000 2.678 262 F HA 0.216 4.743 4.527 -0.001 0.000 0.305 262 F C 1.755 177.575 175.800 0.033 0.000 1.090 262 F CA -0.080 57.929 58.000 0.015 0.000 1.272 262 F CB 0.492 39.527 39.000 0.058 0.000 1.060 262 F HN 0.036 nan 8.300 nan 0.000 0.576 263 R N -0.012 120.551 120.500 0.105 0.000 2.552 263 R HA 0.317 4.656 4.340 -0.001 0.000 0.314 263 R C 0.823 177.149 176.300 0.043 0.000 1.041 263 R CA 0.047 56.197 56.100 0.083 0.000 1.076 263 R CB 0.423 30.751 30.300 0.047 0.000 1.290 263 R HN 0.304 nan 8.270 nan 0.000 0.563 264 G N 0.289 109.107 108.800 0.030 0.000 3.291 264 G HA2 0.063 4.022 3.960 -0.001 0.000 0.173 264 G HA3 0.063 4.022 3.960 -0.001 0.000 0.173 264 G C -0.764 174.149 174.900 0.021 0.000 1.099 264 G CA -0.464 44.642 45.100 0.011 0.000 0.794 264 G HN 0.155 nan 8.290 nan 0.000 0.651 265 D N -0.212 120.191 120.400 0.006 0.000 2.393 265 D HA 0.063 4.702 4.640 -0.001 0.000 0.246 265 D C 0.750 177.065 176.300 0.026 0.000 1.275 265 D CA -0.162 53.847 54.000 0.015 0.000 0.979 265 D CB 1.829 42.632 40.800 0.005 0.000 1.101 265 D HN 0.470 nan 8.370 nan 0.000 0.505 266 E N -0.750 119.471 120.200 0.035 0.000 2.072 266 E HA -0.222 4.127 4.350 -0.001 0.000 0.190 266 E C 2.067 178.692 176.600 0.042 0.000 0.982 266 E CA 0.570 57.002 56.400 0.054 0.000 0.803 266 E CB 0.038 29.771 29.700 0.054 0.000 0.755 266 E HN 0.553 nan 8.360 nan 0.000 0.453 267 Q N 0.222 120.035 119.800 0.022 0.000 2.096 267 Q HA -0.168 4.172 4.340 -0.001 0.000 0.204 267 Q C 2.105 178.097 176.000 -0.013 0.000 0.982 267 Q CA 1.873 57.684 55.803 0.013 0.000 0.850 267 Q CB -0.019 28.723 28.738 0.006 0.000 0.901 267 Q HN 0.154 nan 8.270 nan 0.000 0.422 268 S N 0.165 115.841 115.700 -0.040 0.000 2.383 268 S HA -0.089 4.381 4.470 -0.001 0.000 0.227 268 S C 1.889 176.378 174.600 -0.184 0.000 1.026 268 S CA 0.931 59.069 58.200 -0.102 0.000 0.981 268 S CB -0.209 62.926 63.200 -0.109 0.000 0.818 268 S HN 0.577 nan 8.310 nan 0.000 0.472 269 A N 1.325 124.070 122.820 -0.126 0.000 1.897 269 A HA -0.108 4.211 4.320 -0.001 0.000 0.215 269 A C 2.077 179.673 177.584 0.021 0.000 1.181 269 A CA 1.094 53.043 52.037 -0.146 0.000 0.620 269 A CB -0.544 18.573 19.000 0.195 0.000 0.821 269 A HN 0.515 nan 8.150 nan 0.000 0.443 270 Q N -0.533 119.310 119.800 0.071 0.000 2.061 270 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 270 Q C 2.326 178.381 176.000 0.092 0.000 0.984 270 Q CA 1.422 57.295 55.803 0.117 0.000 0.846 270 Q CB -0.238 28.556 28.738 0.094 0.000 0.902 270 Q HN 0.482 nan 8.270 nan 0.000 0.421 271 R N 0.343 120.857 120.500 0.023 0.000 2.091 271 R HA -0.101 4.239 4.340 -0.001 0.000 0.238 271 R C 2.208 178.503 176.300 -0.008 0.000 1.136 271 R CA 1.292 57.400 56.100 0.012 0.000 0.959 271 R CB -0.776 29.507 30.300 -0.030 0.000 0.856 271 R HN 0.277 nan 8.270 nan 0.000 0.437 272 A N 0.928 123.683 122.820 -0.108 0.000 1.877 272 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 272 A C 2.539 180.172 177.584 0.082 0.000 1.186 272 A CA 1.637 53.582 52.037 -0.154 0.000 0.620 272 A CB -0.702 17.939 19.000 -0.599 0.000 0.822 272 A HN 0.100 nan 8.150 nan 0.000 0.443 273 V N 0.880 120.938 119.914 0.241 0.000 2.287 273 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 273 V C 2.242 178.499 176.094 0.271 0.000 1.053 273 V CA 2.420 64.949 62.300 0.382 0.000 1.027 273 V CB -0.886 31.202 31.823 0.441 0.000 0.646 273 V HN 0.540 nan 8.190 nan 0.000 0.447 274 D N -0.356 120.185 120.400 0.235 0.000 2.104 274 D HA -0.216 4.424 4.640 -0.001 0.000 0.194 274 D C 2.165 178.572 176.300 0.178 0.000 0.994 274 D CA 1.751 55.907 54.000 0.260 0.000 0.830 274 D CB -0.221 40.733 40.800 0.257 0.000 0.959 274 D HN 0.564 nan 8.370 nan 0.000 0.452 275 E N 0.794 121.066 120.200 0.120 0.000 2.077 275 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 275 E C 2.257 178.900 176.600 0.071 0.000 0.989 275 E CA 0.693 57.134 56.400 0.069 0.000 0.800 275 E CB -0.449 29.249 29.700 -0.003 0.000 0.746 275 E HN 0.239 nan 8.360 nan 0.000 0.452 276 L N 0.103 121.379 121.223 0.089 0.000 2.046 276 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 276 L C 2.546 179.484 176.870 0.114 0.000 1.077 276 L CA 1.155 56.070 54.840 0.125 0.000 0.747 276 L CB -0.372 41.775 42.059 0.147 0.000 0.896 276 L HN 0.244 nan 8.230 nan 0.000 0.432 277 I N -0.658 119.942 120.570 0.050 0.000 2.286 277 I HA -0.308 3.861 4.170 -0.001 0.000 0.248 277 I C 2.852 178.796 176.117 -0.288 0.000 1.115 277 I CA 1.159 62.384 61.300 -0.125 0.000 1.392 277 I CB -0.338 37.545 38.000 -0.196 0.000 1.065 277 I HN 0.281 nan 8.210 nan 0.000 0.418 278 R N 0.348 120.692 120.500 -0.260 0.000 2.062 278 R HA -0.238 4.102 4.340 -0.001 0.000 0.231 278 R C 2.590 178.877 176.300 -0.022 0.000 1.136 278 R CA 1.698 57.675 56.100 -0.204 0.000 0.948 278 R CB -0.596 29.711 30.300 0.012 0.000 0.845 278 R HN 0.262 nan 8.270 nan 0.000 0.430 279 Y N 1.235 121.492 120.300 -0.072 0.000 2.165 279 Y HA -0.158 4.392 4.550 -0.001 0.000 0.286 279 Y C 1.818 177.707 175.900 -0.017 0.000 1.155 279 Y CA 1.792 59.870 58.100 -0.036 0.000 1.164 279 Y CB -0.058 38.384 38.460 -0.030 0.000 0.978 279 Y HN 0.075 nan 8.280 nan 0.000 0.513 280 L N -1.271 119.957 121.223 0.008 0.000 2.416 280 L HA 0.025 4.365 4.340 -0.001 0.000 0.216 280 L C 0.615 177.438 176.870 -0.079 0.000 1.098 280 L CA 0.544 55.359 54.840 -0.042 0.000 0.840 280 L CB -0.635 41.484 42.059 0.101 0.000 0.981 280 L HN -0.109 nan 8.230 nan 0.000 0.462 281 T N 1.260 115.741 114.554 -0.121 0.000 2.637 281 T HA -0.142 4.207 4.350 -0.001 0.000 0.483 281 T C 1.415 176.022 174.700 -0.154 0.000 0.787 281 T CA 0.651 62.655 62.100 -0.160 0.000 2.753 281 T CB -0.889 67.893 68.868 -0.142 0.000 1.511 281 T HN 0.361 nan 8.240 nan 0.000 0.430 282 V N 0.279 120.117 119.914 -0.126 0.000 2.490 282 V HA 0.023 4.143 4.120 -0.001 0.000 0.250 282 V C -1.495 174.433 176.094 -0.277 0.000 1.061 282 V CA 0.465 62.686 62.300 -0.131 0.000 1.064 282 V CB -1.258 30.538 31.823 -0.045 0.000 0.670 282 V HN 0.467 nan 8.190 nan 0.000 0.461 283 P HA 0.246 nan 4.420 nan 0.000 0.281 283 P C -0.173 177.015 177.300 -0.187 0.000 1.252 283 P CA 0.059 63.063 63.100 -0.159 0.000 0.778 283 P CB 0.395 32.073 31.700 -0.038 0.000 0.895 284 Y N 1.020 121.358 120.300 0.063 0.000 2.242 284 Y HA -0.060 4.489 4.550 -0.001 0.000 0.291 284 Y C 1.340 177.307 175.900 0.112 0.000 1.137 284 Y CA 1.198 59.334 58.100 0.061 0.000 1.181 284 Y CB 0.160 38.656 38.460 0.060 0.000 0.989 284 Y HN 0.390 nan 8.280 nan 0.000 0.527 285 S N -1.773 114.088 115.700 0.268 0.000 2.595 285 S HA 0.455 4.925 4.470 -0.001 0.000 0.270 285 S C -3.082 171.584 174.600 0.110 0.000 1.145 285 S CA -1.422 56.863 58.200 0.142 0.000 0.825 285 S CB 2.047 65.306 63.200 0.100 0.000 1.107 285 S HN -0.157 nan 8.310 nan 0.000 0.461 286 P HA 0.395 nan 4.420 nan 0.000 0.317 286 P C -0.486 176.648 177.300 -0.276 0.000 1.307 286 P CA -0.278 62.800 63.100 -0.036 0.000 0.749 286 P CB 0.025 31.692 31.700 -0.055 0.000 1.377 287 T N 1.692 116.074 114.554 -0.287 0.000 2.916 287 T HA 0.179 4.528 4.350 -0.001 0.000 0.303 287 T C -2.118 172.174 174.700 -0.681 0.000 1.025 287 T CA -0.319 61.406 62.100 -0.624 0.000 1.142 287 T CB -0.760 67.966 68.868 -0.237 0.000 0.947 287 T HN 0.307 nan 8.240 nan 0.000 0.544 288 P HA 0.104 nan 4.420 nan 0.000 0.266 288 P C -0.221 176.895 177.300 -0.306 0.000 1.195 288 P CA -0.103 62.640 63.100 -0.594 0.000 0.768 288 P CB 0.486 31.801 31.700 -0.643 0.000 0.838 289 R N 3.236 123.631 120.500 -0.176 0.000 2.460 289 R HA 0.514 4.854 4.340 -0.001 0.000 0.303 289 R C -0.297 176.073 176.300 0.117 0.000 0.968 289 R CA -0.743 55.344 56.100 -0.022 0.000 0.889 289 R CB 0.876 31.148 30.300 -0.046 0.000 1.123 289 R HN 0.405 nan 8.270 nan 0.000 0.455 290 I N 1.868 122.533 120.570 0.158 0.000 2.378 290 I HA 0.309 4.478 4.170 -0.001 0.000 0.291 290 I C 0.511 176.708 176.117 0.132 0.000 0.992 290 I CA -1.343 60.048 61.300 0.150 0.000 1.154 290 I CB 1.223 39.264 38.000 0.067 0.000 1.315 290 I HN 0.539 nan 8.210 nan 0.000 0.448 291 A N 6.944 129.812 122.820 0.080 0.000 2.491 291 A HA 0.203 4.523 4.320 -0.001 0.000 0.261 291 A C 1.123 178.594 177.584 -0.189 0.000 1.101 291 A CA -0.132 51.739 52.037 -0.277 0.000 0.772 291 A CB -0.088 18.767 19.000 -0.242 0.000 1.043 291 A HN 0.744 nan 8.150 nan 0.000 0.501 292 R N 1.274 121.629 120.500 -0.241 0.000 2.323 292 R HA 0.074 4.413 4.340 -0.001 0.000 0.198 292 R C 0.349 176.571 176.300 -0.131 0.000 0.988 292 R CA 1.106 57.124 56.100 -0.136 0.000 1.041 292 R CB -0.109 30.122 30.300 -0.115 0.000 0.926 292 R HN 0.950 nan 8.270 nan 0.000 0.476 293 E N -0.255 119.840 120.200 -0.176 0.000 2.435 293 E HA 0.148 4.498 4.350 -0.001 0.000 0.277 293 E C -1.823 174.691 176.600 -0.142 0.000 1.106 293 E CA -1.020 55.301 56.400 -0.132 0.000 0.868 293 E CB 0.590 30.214 29.700 -0.127 0.000 1.454 293 E HN -0.171 nan 8.360 nan 0.000 0.452 294 D N 0.665 121.007 120.400 -0.097 0.000 2.304 294 D HA 0.531 5.171 4.640 -0.001 0.000 0.250 294 D C -0.377 175.861 176.300 -0.104 0.000 1.107 294 D CA 0.191 54.142 54.000 -0.081 0.000 0.885 294 D CB 0.950 41.723 40.800 -0.045 0.000 1.192 294 D HN 0.521 nan 8.370 nan 0.000 0.436 295 L N -1.626 119.531 121.223 -0.109 0.000 2.775 295 L HA 0.667 5.006 4.340 -0.001 0.000 0.263 295 L C -0.914 175.897 176.870 -0.098 0.000 1.017 295 L CA -0.818 53.957 54.840 -0.108 0.000 0.891 295 L CB 1.629 43.599 42.059 -0.148 0.000 1.482 295 L HN 0.098 nan 8.230 nan 0.000 0.410 296 T N 2.748 117.254 114.554 -0.079 0.000 2.788 296 T HA 0.708 5.057 4.350 -0.001 0.000 0.296 296 T C -1.036 173.617 174.700 -0.079 0.000 1.009 296 T CA -0.062 61.987 62.100 -0.085 0.000 0.949 296 T CB 0.868 69.701 68.868 -0.057 0.000 0.946 296 T HN 0.652 nan 8.240 nan 0.000 0.453 297 L N 3.201 124.352 121.223 -0.120 0.000 2.341 297 L HA 0.741 5.080 4.340 -0.001 0.000 0.278 297 L C 0.583 177.379 176.870 -0.124 0.000 1.005 297 L CA -0.093 54.687 54.840 -0.099 0.000 0.818 297 L CB 0.836 42.846 42.059 -0.081 0.000 1.259 297 L HN 0.836 nan 8.230 nan 0.000 0.418 298 A N 3.757 126.531 122.820 -0.077 0.000 2.799 298 A HA 0.057 4.377 4.320 -0.001 0.000 0.287 298 A C 1.591 179.145 177.584 -0.050 0.000 1.484 298 A CA 1.649 53.651 52.037 -0.059 0.000 0.813 298 A CB -2.261 16.701 19.000 -0.062 0.000 1.009 298 A HN 2.574 nan 8.150 nan 0.000 0.545 299 G N -3.195 105.573 108.800 -0.053 0.000 2.225 299 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.254 299 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.254 299 G C 0.047 174.921 174.900 -0.043 0.000 0.988 299 G CA 0.827 45.907 45.100 -0.034 0.000 0.625 299 G HN 1.320 nan 8.290 nan 0.000 0.527 300 Q N 0.682 120.418 119.800 -0.106 0.000 2.260 300 Q HA 0.504 4.843 4.340 -0.001 0.000 0.238 300 Q C -0.155 175.730 176.000 -0.193 0.000 0.948 300 Q CA -0.183 55.524 55.803 -0.159 0.000 0.895 300 Q CB 0.928 29.402 28.738 -0.440 0.000 1.218 300 Q HN 0.420 nan 8.270 nan 0.000 0.470 301 E N 1.973 122.115 120.200 -0.096 0.000 2.035 301 E HA 0.288 4.638 4.350 -0.001 0.000 0.271 301 E C -0.190 176.375 176.600 -0.059 0.000 0.953 301 E CA -0.430 55.940 56.400 -0.049 0.000 0.777 301 E CB 0.623 30.349 29.700 0.043 0.000 1.104 301 E HN 0.336 nan 8.360 nan 0.000 0.408 302 I N 2.818 123.281 120.570 -0.178 0.000 2.365 302 I HA 0.221 4.391 4.170 -0.001 0.000 0.291 302 I C 0.613 176.722 176.117 -0.014 0.000 1.004 302 I CA -0.676 60.533 61.300 -0.151 0.000 1.311 302 I CB 0.490 38.333 38.000 -0.261 0.000 1.401 302 I HN 0.003 nan 8.210 nan 0.000 0.491 303 K N 4.911 125.365 120.400 0.089 0.000 2.156 303 K HA 0.300 4.619 4.320 -0.001 0.000 0.254 303 K C -0.113 176.509 176.600 0.036 0.000 0.950 303 K CA -1.056 55.264 56.287 0.055 0.000 0.849 303 K CB 1.845 34.396 32.500 0.085 0.000 1.100 303 K HN 0.443 nan 8.250 nan 0.000 0.434 304 K N 0.403 120.799 120.400 -0.007 0.000 2.543 304 K HA -0.089 4.231 4.320 -0.001 0.000 0.279 304 K C 0.674 177.282 176.600 0.013 0.000 1.001 304 K CA 1.671 57.945 56.287 -0.021 0.000 1.088 304 K CB -0.191 32.291 32.500 -0.029 0.000 0.863 304 K HN 0.811 nan 8.250 nan 0.000 0.488 305 G N 3.069 111.880 108.800 0.018 0.000 2.194 305 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.236 305 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.236 305 G C -0.405 174.542 174.900 0.078 0.000 0.987 305 G CA 0.136 45.259 45.100 0.038 0.000 0.635 305 G HN 0.728 nan 8.290 nan 0.000 0.520 306 D N 0.834 121.309 120.400 0.125 0.000 2.382 306 D HA 0.495 5.135 4.640 -0.001 0.000 0.245 306 D C 0.431 176.880 176.300 0.248 0.000 1.120 306 D CA 0.678 54.814 54.000 0.226 0.000 0.890 306 D CB 1.531 42.563 40.800 0.386 0.000 1.201 306 D HN 0.180 nan 8.370 nan 0.000 0.433 307 S N 0.948 116.802 115.700 0.257 0.000 2.508 307 S HA 0.507 4.977 4.470 -0.001 0.000 0.284 307 S C -0.748 174.026 174.600 0.290 0.000 1.192 307 S CA -0.702 57.645 58.200 0.245 0.000 1.070 307 S CB 0.592 63.983 63.200 0.317 0.000 1.004 307 S HN 0.147 nan 8.310 nan 0.000 0.493 308 V N 6.529 126.529 119.914 0.143 0.000 2.483 308 V HA 0.475 4.595 4.120 -0.001 0.000 0.297 308 V C -0.409 175.614 176.094 -0.118 0.000 1.027 308 V CA -0.605 61.731 62.300 0.059 0.000 0.855 308 V CB 1.394 33.179 31.823 -0.064 0.000 0.995 308 V HN 0.830 nan 8.190 nan 0.000 0.424 309 I N 3.836 124.315 120.570 -0.153 0.000 2.336 309 I HA 0.363 4.532 4.170 -0.001 0.000 0.292 309 I C -0.202 175.790 176.117 -0.208 0.000 0.991 309 I CA -0.162 60.965 61.300 -0.288 0.000 1.227 309 I CB 1.336 39.054 38.000 -0.469 0.000 1.366 309 I HN 0.529 nan 8.210 nan 0.000 0.466 310 C N 4.349 123.533 119.300 -0.192 0.000 2.307 310 C HA 0.255 4.714 4.460 -0.001 0.000 0.340 310 C C 0.933 175.882 174.990 -0.069 0.000 1.275 310 C CA -0.464 58.478 59.018 -0.126 0.000 1.811 310 C CB 0.593 28.258 27.740 -0.125 0.000 2.372 310 C HN 0.756 nan 8.230 nan 0.000 0.531 311 S N 3.731 119.412 115.700 -0.031 0.000 2.473 311 S HA 0.291 4.761 4.470 -0.001 0.000 0.312 311 S C 1.095 175.708 174.600 0.020 0.000 1.087 311 S CA -0.620 57.596 58.200 0.026 0.000 1.077 311 S CB -0.157 63.070 63.200 0.045 0.000 1.065 311 S HN 0.647 nan 8.310 nan 0.000 0.510 312 L N 5.316 126.552 121.223 0.023 0.000 2.083 312 L HA 0.001 4.341 4.340 -0.001 0.000 0.209 312 L C -0.820 176.054 176.870 0.007 0.000 1.083 312 L CA 1.019 55.869 54.840 0.016 0.000 0.752 312 L CB -1.635 40.427 42.059 0.005 0.000 0.899 312 L HN 0.430 nan 8.230 nan 0.000 0.433 313 P HA -0.128 nan 4.420 nan 0.000 0.216 313 P C 1.527 178.811 177.300 -0.026 0.000 1.153 313 P CA 1.706 64.778 63.100 -0.046 0.000 0.848 313 P CB 0.047 31.705 31.700 -0.071 0.000 0.787 314 A N 0.083 122.902 122.820 -0.002 0.000 1.898 314 A HA -0.039 4.281 4.320 -0.001 0.000 0.216 314 A C 2.327 179.925 177.584 0.024 0.000 1.181 314 A CA 1.893 53.932 52.037 0.004 0.000 0.620 314 A CB -1.637 17.371 19.000 0.013 0.000 0.819 314 A HN 0.161 nan 8.150 nan 0.000 0.442 315 A N 0.334 123.179 122.820 0.042 0.000 1.940 315 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 315 A C 1.682 179.343 177.584 0.127 0.000 1.176 315 A CA 1.803 53.894 52.037 0.091 0.000 0.631 315 A CB -0.598 18.453 19.000 0.084 0.000 0.814 315 A HN 0.511 nan 8.150 nan 0.000 0.446 316 N N -0.606 118.147 118.700 0.088 0.000 2.521 316 N HA 0.000 4.740 4.740 -0.001 0.000 0.188 316 N C 0.712 176.235 175.510 0.022 0.000 1.146 316 N CA 0.373 53.466 53.050 0.072 0.000 0.893 316 N CB 0.101 38.619 38.487 0.053 0.000 0.975 316 N HN 0.294 nan 8.380 nan 0.000 0.451 317 R N 0.116 120.623 120.500 0.012 0.000 2.565 317 R HA 0.118 4.457 4.340 -0.001 0.000 0.347 317 R C -0.376 175.925 176.300 0.002 0.000 1.010 317 R CA -0.363 55.738 56.100 0.002 0.000 1.126 317 R CB -0.101 30.191 30.300 -0.013 0.000 1.331 317 R HN 0.097 nan 8.270 nan 0.000 0.552 318 D N 3.375 123.778 120.400 0.004 0.000 2.472 318 D HA -0.023 4.616 4.640 -0.001 0.000 0.248 318 D C -1.177 175.115 176.300 -0.014 0.000 1.174 318 D CA -1.178 52.825 54.000 0.005 0.000 0.883 318 D CB 1.402 42.218 40.800 0.026 0.000 1.149 318 D HN 0.012 nan 8.370 nan 0.000 0.488 319 P HA -0.121 nan 4.420 nan 0.000 0.226 319 P C 0.817 178.110 177.300 -0.013 0.000 1.146 319 P CA 0.593 63.690 63.100 -0.006 0.000 0.773 319 P CB 0.200 31.901 31.700 0.002 0.000 0.772 320 A N -0.140 122.670 122.820 -0.016 0.000 2.014 320 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 320 A C 2.283 179.841 177.584 -0.043 0.000 1.163 320 A CA 0.693 52.719 52.037 -0.019 0.000 0.652 320 A CB -1.307 17.690 19.000 -0.005 0.000 0.808 320 A HN 0.147 nan 8.150 nan 0.000 0.449 321 L N -1.412 119.766 121.223 -0.075 0.000 2.141 321 L HA 0.147 4.487 4.340 -0.001 0.000 0.209 321 L C 1.025 177.858 176.870 -0.062 0.000 1.094 321 L CA 0.888 55.662 54.840 -0.110 0.000 0.763 321 L CB -0.332 41.623 42.059 -0.173 0.000 0.908 321 L HN 0.481 nan 8.230 nan 0.000 0.437 322 A N -1.851 120.946 122.820 -0.038 0.000 2.581 322 A HA 0.398 4.717 4.320 -0.001 0.000 0.294 322 A C -2.270 175.307 177.584 -0.012 0.000 1.035 322 A CA -0.685 51.338 52.037 -0.023 0.000 0.684 322 A CB 0.213 19.200 19.000 -0.021 0.000 1.282 322 A HN -0.159 nan 8.150 nan 0.000 0.417 323 P HA 0.012 nan 4.420 nan 0.000 0.234 323 P C -0.057 177.244 177.300 0.002 0.000 1.167 323 P CA 1.622 64.721 63.100 -0.003 0.000 0.763 323 P CB 0.065 31.763 31.700 -0.004 0.000 0.835 324 D N -1.676 118.724 120.400 0.000 0.000 2.760 324 D HA -0.017 4.623 4.640 -0.001 0.000 0.314 324 D C 1.075 177.383 176.300 0.014 0.000 1.464 324 D CA -0.620 53.384 54.000 0.006 0.000 0.797 324 D CB -0.717 40.080 40.800 -0.006 0.000 1.149 324 D HN -0.136 nan 8.370 nan 0.000 0.455 325 V N 1.576 121.500 119.914 0.017 0.000 2.720 325 V HA -0.199 3.920 4.120 -0.001 0.000 0.256 325 V C 1.305 177.444 176.094 0.076 0.000 1.082 325 V CA 2.470 64.787 62.300 0.030 0.000 1.101 325 V CB -0.313 31.515 31.823 0.007 0.000 0.693 325 V HN 0.374 nan 8.190 nan 0.000 0.479 326 D N -0.799 119.647 120.400 0.077 0.000 2.349 326 D HA -0.048 4.591 4.640 -0.001 0.000 0.224 326 D C 0.743 177.170 176.300 0.212 0.000 1.029 326 D CA -0.005 54.069 54.000 0.123 0.000 0.879 326 D CB -0.046 40.801 40.800 0.078 0.000 0.906 326 D HN 0.366 nan 8.370 nan 0.000 0.528 327 R N 0.490 121.063 120.500 0.121 0.000 2.720 327 R HA 0.464 4.803 4.340 -0.001 0.000 0.272 327 R C -0.453 175.716 176.300 -0.218 0.000 0.991 327 R CA -1.164 54.939 56.100 0.006 0.000 1.010 327 R CB 1.583 31.858 30.300 -0.041 0.000 1.141 327 R HN 0.081 nan 8.270 nan 0.000 0.494 328 L N 1.772 122.605 121.223 -0.651 0.000 2.265 328 L HA 0.302 4.641 4.340 -0.001 0.000 0.288 328 L C -0.679 175.880 176.870 -0.518 0.000 1.058 328 L CA 0.384 54.677 54.840 -0.912 0.000 0.809 328 L CB 0.519 41.731 42.059 -1.411 0.000 1.179 328 L HN 0.430 nan 8.230 nan 0.000 0.429 329 D N 3.604 123.811 120.400 -0.321 0.000 2.330 329 D HA 0.090 4.729 4.640 -0.001 0.000 0.249 329 D C 0.830 177.030 176.300 -0.167 0.000 1.306 329 D CA -0.166 53.703 54.000 -0.217 0.000 0.956 329 D CB 1.447 42.162 40.800 -0.143 0.000 1.261 329 D HN 0.397 nan 8.370 nan 0.000 0.544 330 V N 1.931 121.734 119.914 -0.184 0.000 3.026 330 V HA -0.091 4.028 4.120 -0.001 0.000 0.265 330 V C 1.542 177.558 176.094 -0.129 0.000 1.121 330 V CA 2.191 64.395 62.300 -0.159 0.000 1.142 330 V CB -1.185 30.509 31.823 -0.216 0.000 0.730 330 V HN 0.596 nan 8.190 nan 0.000 0.503 331 T N -1.219 113.267 114.554 -0.114 0.000 3.069 331 T HA 0.205 4.554 4.350 -0.001 0.000 0.252 331 T C 1.004 175.666 174.700 -0.063 0.000 1.053 331 T CA -0.034 62.014 62.100 -0.087 0.000 0.964 331 T CB -0.237 68.581 68.868 -0.083 0.000 1.005 331 T HN 0.846 nan 8.240 nan 0.000 0.532 332 R N 1.387 121.850 120.500 -0.062 0.000 2.827 332 R HA 0.178 4.518 4.340 -0.001 0.000 0.269 332 R C -0.558 175.726 176.300 -0.027 0.000 1.048 332 R CA -0.445 55.629 56.100 -0.043 0.000 1.173 332 R CB 0.093 30.367 30.300 -0.043 0.000 1.070 332 R HN 0.047 nan 8.270 nan 0.000 0.498 333 E N 2.191 122.379 120.200 -0.019 0.000 2.328 333 E HA 0.092 4.441 4.350 -0.001 0.000 0.265 333 E C -1.943 174.656 176.600 -0.001 0.000 1.057 333 E CA -1.636 54.758 56.400 -0.010 0.000 0.916 333 E CB 0.201 29.895 29.700 -0.010 0.000 0.993 333 E HN 0.498 nan 8.360 nan 0.000 0.446 334 P HA -0.061 nan 4.420 nan 0.000 0.264 334 P C -0.260 177.057 177.300 0.029 0.000 1.173 334 P CA 0.673 63.792 63.100 0.031 0.000 0.761 334 P CB 0.415 32.138 31.700 0.039 0.000 0.794 335 I N 4.907 125.507 120.570 0.050 0.000 2.389 335 I HA 0.238 4.407 4.170 -0.001 0.000 0.288 335 I C -2.050 174.099 176.117 0.053 0.000 0.999 335 I CA -2.525 58.794 61.300 0.031 0.000 1.129 335 I CB 1.984 39.996 38.000 0.021 0.000 1.288 335 I HN 0.164 nan 8.210 nan 0.000 0.444 336 P HA 0.063 nan 4.420 nan 0.000 0.264 336 P C -0.774 176.586 177.300 0.099 0.000 1.537 336 P CA -0.045 63.067 63.100 0.019 0.000 1.189 336 P CB -0.532 31.204 31.700 0.059 0.000 1.687 337 H N 0.163 119.338 119.070 0.174 0.000 2.581 337 H HA 0.325 4.880 4.556 -0.001 0.000 0.369 337 H C 0.671 176.131 175.328 0.221 0.000 1.351 337 H CA -1.000 55.160 56.048 0.186 0.000 1.434 337 H CB 0.456 30.280 29.762 0.102 0.000 1.558 337 H HN 0.068 nan 8.280 nan 0.000 0.608 338 V N -2.512 117.654 119.914 0.420 0.000 3.006 338 V HA 0.522 4.642 4.120 -0.001 0.000 0.357 338 V C 1.590 177.834 176.094 0.251 0.000 1.377 338 V CA 0.142 62.614 62.300 0.287 0.000 1.198 338 V CB -0.564 31.328 31.823 0.114 0.000 1.216 338 V HN 0.944 nan 8.190 nan 0.000 0.520 339 A N 0.245 123.252 122.820 0.313 0.000 2.015 339 A HA 0.128 4.447 4.320 -0.001 0.000 0.219 339 A C 1.624 179.096 177.584 -0.187 0.000 1.163 339 A CA 1.598 53.567 52.037 -0.114 0.000 0.646 339 A CB -0.662 18.026 19.000 -0.519 0.000 0.806 339 A HN 0.629 nan 8.150 nan 0.000 0.448 340 F N -0.773 119.280 119.950 0.171 0.000 2.693 340 F HA 0.397 4.923 4.527 -0.001 0.000 0.303 340 F C 1.570 177.283 175.800 -0.145 0.000 1.097 340 F CA 0.475 58.438 58.000 -0.061 0.000 1.330 340 F CB 0.288 39.155 39.000 -0.220 0.000 1.067 340 F HN 0.481 nan 8.300 nan 0.000 0.565 341 G N 0.406 109.306 108.800 0.166 0.000 2.545 341 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.216 341 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.216 341 G C -1.418 173.679 174.900 0.327 0.000 1.314 341 G CA -0.441 44.763 45.100 0.173 0.000 0.906 341 G HN 0.527 nan 8.290 nan 0.000 0.563 342 H N -1.023 118.157 119.070 0.184 0.000 3.114 342 H HA 0.668 5.224 4.556 -0.001 0.000 0.325 342 H C 0.368 175.785 175.328 0.148 0.000 1.206 342 H CA 1.866 58.023 56.048 0.182 0.000 1.316 342 H CB 1.116 30.922 29.762 0.074 0.000 1.981 342 H HN 2.741 nan 8.280 nan 0.000 0.527 343 G N 0.932 109.416 108.800 -0.526 0.000 2.548 343 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.208 343 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.208 343 G C 1.067 175.900 174.900 -0.111 0.000 1.308 343 G CA 0.254 45.175 45.100 -0.300 0.000 0.924 343 G HN 1.534 nan 8.290 nan 0.000 0.540 344 V N -2.817 117.016 119.914 -0.134 0.000 2.720 344 V HA -0.068 4.052 4.120 -0.001 0.000 0.256 344 V C 1.931 177.948 176.094 -0.129 0.000 1.082 344 V CA 2.640 64.836 62.300 -0.173 0.000 1.101 344 V CB -0.713 30.893 31.823 -0.362 0.000 0.693 344 V HN 0.749 nan 8.190 nan 0.000 0.479 345 H N -0.776 118.267 119.070 -0.045 0.000 2.539 345 H HA 0.184 4.739 4.556 -0.001 0.000 0.269 345 H C 0.905 176.281 175.328 0.080 0.000 0.980 345 H CA 0.273 56.317 56.048 -0.006 0.000 1.152 345 H CB -0.392 29.320 29.762 -0.084 0.000 1.407 345 H HN 0.624 nan 8.280 nan 0.000 0.564 346 H N 1.157 120.278 119.070 0.086 0.000 3.152 346 H HA -0.131 4.424 4.556 -0.001 0.000 0.319 346 H C 0.117 175.492 175.328 0.077 0.000 0.994 346 H CA 0.306 56.407 56.048 0.089 0.000 1.370 346 H CB 0.478 30.261 29.762 0.034 0.000 1.322 346 H HN 0.255 nan 8.280 nan 0.000 0.590 347 C N 7.019 126.126 119.300 -0.322 0.000 2.067 347 C HA -0.140 4.319 4.460 -0.001 0.000 0.408 347 C C 2.177 177.092 174.990 -0.125 0.000 1.539 347 C CA -0.107 58.815 59.018 -0.159 0.000 1.434 347 C CB -1.961 25.731 27.740 -0.079 0.000 2.621 347 C HN 0.832 nan 8.230 nan 0.000 0.610 348 L N 6.024 127.162 121.223 -0.141 0.000 2.191 348 L HA 0.163 4.502 4.340 -0.001 0.000 0.212 348 L C 2.129 178.799 176.870 -0.334 0.000 1.103 348 L CA 2.377 57.038 54.840 -0.298 0.000 0.769 348 L CB -0.504 41.230 42.059 -0.542 0.000 0.908 348 L HN 0.864 nan 8.230 nan 0.000 0.438 349 G N -2.137 106.541 108.800 -0.203 0.000 3.448 349 G HA2 0.291 4.250 3.960 -0.001 0.000 0.261 349 G HA3 0.291 4.250 3.960 -0.001 0.000 0.261 349 G C 1.351 176.213 174.900 -0.063 0.000 1.173 349 G CA 0.378 45.477 45.100 -0.000 0.000 0.835 349 G HN 0.499 nan 8.290 nan 0.000 0.534 350 A N 1.027 123.681 122.820 -0.277 0.000 1.908 350 A HA 0.180 4.500 4.320 -0.001 0.000 0.218 350 A C 2.732 180.111 177.584 -0.341 0.000 1.181 350 A CA 2.164 53.772 52.037 -0.714 0.000 0.627 350 A CB -0.513 17.900 19.000 -0.978 0.000 0.818 350 A HN 0.696 nan 8.150 nan 0.000 0.445 351 A N -0.576 122.172 122.820 -0.119 0.000 1.898 351 A HA 0.006 4.325 4.320 -0.001 0.000 0.216 351 A C 2.137 179.744 177.584 0.039 0.000 1.181 351 A CA 1.673 53.702 52.037 -0.013 0.000 0.620 351 A CB -0.630 18.387 19.000 0.027 0.000 0.819 351 A HN 0.726 nan 8.150 nan 0.000 0.442 352 L N -0.078 121.187 121.223 0.071 0.000 2.017 352 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 352 L C 2.649 179.578 176.870 0.097 0.000 1.073 352 L CA 2.295 57.191 54.840 0.093 0.000 0.745 352 L CB -0.823 41.320 42.059 0.139 0.000 0.894 352 L HN 0.342 nan 8.230 nan 0.000 0.432 353 A N -0.300 122.586 122.820 0.110 0.000 1.883 353 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 353 A C 2.421 180.123 177.584 0.197 0.000 1.186 353 A CA 2.024 54.168 52.037 0.179 0.000 0.624 353 A CB -0.581 18.605 19.000 0.310 0.000 0.822 353 A HN 0.540 nan 8.150 nan 0.000 0.444 354 R N -1.248 119.366 120.500 0.190 0.000 2.075 354 R HA -0.074 4.266 4.340 -0.001 0.000 0.232 354 R C 2.144 178.541 176.300 0.161 0.000 1.126 354 R CA 1.341 57.570 56.100 0.216 0.000 0.963 354 R CB -0.532 29.887 30.300 0.197 0.000 0.858 354 R HN 0.504 nan 8.270 nan 0.000 0.435 355 L N 1.473 122.764 121.223 0.114 0.000 2.027 355 L HA -0.148 4.192 4.340 -0.001 0.000 0.206 355 L C 2.205 179.115 176.870 0.068 0.000 1.074 355 L CA 1.892 56.788 54.840 0.092 0.000 0.745 355 L CB -0.586 41.517 42.059 0.072 0.000 0.898 355 L HN 0.154 nan 8.230 nan 0.000 0.433 356 E N -0.495 119.738 120.200 0.056 0.000 2.058 356 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 356 E C 2.226 178.790 176.600 -0.059 0.000 0.997 356 E CA 1.829 58.236 56.400 0.012 0.000 0.801 356 E CB -0.290 29.427 29.700 0.028 0.000 0.746 356 E HN 0.601 nan 8.360 nan 0.000 0.450 357 L N 0.297 121.496 121.223 -0.040 0.000 2.093 357 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 357 L C 2.931 179.694 176.870 -0.178 0.000 1.085 357 L CA 1.224 55.942 54.840 -0.203 0.000 0.755 357 L CB -0.381 41.693 42.059 0.025 0.000 0.904 357 L HN 0.168 nan 8.230 nan 0.000 0.435 358 R N -0.318 120.243 120.500 0.102 0.000 2.096 358 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 358 R C 2.153 178.527 176.300 0.123 0.000 1.127 358 R CA 1.901 58.152 56.100 0.253 0.000 0.968 358 R CB -0.200 30.255 30.300 0.258 0.000 0.861 358 R HN 0.223 nan 8.270 nan 0.000 0.440 359 T N 0.356 114.924 114.554 0.023 0.000 2.708 359 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 359 T C 1.846 176.493 174.700 -0.089 0.000 1.037 359 T CA 1.437 63.532 62.100 -0.009 0.000 1.146 359 T CB -0.197 68.662 68.868 -0.015 0.000 0.865 359 T HN 0.029 nan 8.240 nan 0.000 0.435 360 V N 0.942 120.724 119.914 -0.219 0.000 2.287 360 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 360 V C 2.121 178.052 176.094 -0.272 0.000 1.053 360 V CA 1.815 63.927 62.300 -0.313 0.000 1.027 360 V CB -0.803 30.717 31.823 -0.505 0.000 0.646 360 V HN 0.510 nan 8.190 nan 0.000 0.447 361 F N -0.060 119.790 119.950 -0.166 0.000 2.146 361 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 361 F C 2.628 178.309 175.800 -0.199 0.000 1.096 361 F CA 1.448 59.251 58.000 -0.328 0.000 1.275 361 F CB -0.780 37.658 39.000 -0.936 0.000 1.008 361 F HN 0.099 nan 8.300 nan 0.000 0.480 362 T N -0.529 114.075 114.554 0.084 0.000 2.674 362 T HA -0.147 4.202 4.350 -0.001 0.000 0.265 362 T C 1.793 176.556 174.700 0.106 0.000 1.039 362 T CA 1.335 63.554 62.100 0.198 0.000 1.150 362 T CB -0.219 68.782 68.868 0.221 0.000 0.864 362 T HN 0.120 nan 8.240 nan 0.000 0.427 363 E N 1.003 121.208 120.200 0.008 0.000 2.077 363 E HA -0.063 4.286 4.350 -0.001 0.000 0.193 363 E C 2.242 178.752 176.600 -0.150 0.000 0.989 363 E CA 0.574 56.930 56.400 -0.073 0.000 0.800 363 E CB -0.688 28.948 29.700 -0.106 0.000 0.746 363 E HN 0.307 nan 8.360 nan 0.000 0.452 364 L N 0.248 121.379 121.223 -0.154 0.000 1.971 364 L HA -0.165 4.175 4.340 -0.001 0.000 0.215 364 L C 2.104 178.813 176.870 -0.269 0.000 1.072 364 L CA 1.819 56.495 54.840 -0.273 0.000 0.758 364 L CB -0.629 41.222 42.059 -0.348 0.000 0.889 364 L HN 0.201 nan 8.230 nan 0.000 0.433 365 W N -0.106 121.176 121.300 -0.030 0.000 2.699 365 W HA -0.014 4.646 4.660 -0.001 0.000 0.249 365 W C 2.707 179.215 176.519 -0.018 0.000 1.280 365 W CA 0.945 58.300 57.345 0.016 0.000 1.345 365 W CB -0.282 29.215 29.460 0.061 0.000 1.128 365 W HN 0.351 nan 8.180 nan 0.000 0.642 366 R N 0.701 121.255 120.500 0.090 0.000 2.100 366 R HA -0.102 4.238 4.340 -0.001 0.000 0.220 366 R C 2.279 178.512 176.300 -0.112 0.000 1.091 366 R CA 1.167 57.279 56.100 0.020 0.000 0.986 366 R CB -0.107 30.193 30.300 -0.000 0.000 0.888 366 R HN -0.127 nan 8.270 nan 0.000 0.444 367 R N -0.353 119.955 120.500 -0.320 0.000 2.075 367 R HA 0.012 4.351 4.340 -0.001 0.000 0.226 367 R C -0.090 175.813 176.300 -0.662 0.000 1.114 367 R CA 1.346 57.061 56.100 -0.640 0.000 0.972 367 R CB 0.147 29.775 30.300 -1.121 0.000 0.869 367 R HN 0.135 nan 8.270 nan 0.000 0.437 368 F N 0.238 120.074 119.950 -0.189 0.000 2.449 368 F HA 0.401 4.927 4.527 -0.001 0.000 0.329 368 F C -1.837 173.984 175.800 0.035 0.000 1.245 368 F CA -2.515 55.384 58.000 -0.168 0.000 1.193 368 F CB 1.797 40.553 39.000 -0.407 0.000 1.425 368 F HN -0.024 nan 8.300 nan 0.000 0.544 369 P HA -0.230 nan 4.420 nan 0.000 0.216 369 P C 1.238 178.745 177.300 0.345 0.000 1.153 369 P CA 1.334 64.615 63.100 0.301 0.000 0.858 369 P CB 0.290 32.106 31.700 0.195 0.000 0.789 370 A N -1.443 121.559 122.820 0.303 0.000 2.476 370 A HA 0.172 4.492 4.320 -0.001 0.000 0.263 370 A C 0.499 178.254 177.584 0.286 0.000 1.342 370 A CA -0.448 51.748 52.037 0.264 0.000 0.926 370 A CB -1.348 17.774 19.000 0.202 0.000 1.019 370 A HN 0.099 nan 8.150 nan 0.000 0.515 371 L N 1.567 122.990 121.223 0.333 0.000 2.543 371 L HA 0.263 4.603 4.340 -0.001 0.000 0.285 371 L C 0.613 177.630 176.870 0.246 0.000 1.236 371 L CA 1.075 56.065 54.840 0.248 0.000 0.871 371 L CB 0.141 42.232 42.059 0.053 0.000 1.121 371 L HN 0.677 nan 8.230 nan 0.000 0.501 372 R N 3.238 123.836 120.500 0.164 0.000 2.741 372 R HA 0.482 4.822 4.340 -0.001 0.000 0.276 372 R C -1.621 174.724 176.300 0.075 0.000 1.028 372 R CA -1.184 54.993 56.100 0.128 0.000 0.865 372 R CB 0.398 30.758 30.300 0.100 0.000 1.268 372 R HN 0.473 nan 8.270 nan 0.000 0.475 373 L N 1.748 123.004 121.223 0.055 0.000 2.453 373 L HA 0.199 4.538 4.340 -0.001 0.000 0.272 373 L C 1.728 178.599 176.870 0.002 0.000 1.182 373 L CA 0.248 55.103 54.840 0.024 0.000 0.858 373 L CB 1.079 43.148 42.059 0.016 0.000 1.120 373 L HN 1.026 nan 8.230 nan 0.000 0.474 374 A N 2.415 125.226 122.820 -0.015 0.000 1.908 374 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 374 A C 0.744 178.307 177.584 -0.035 0.000 1.181 374 A CA 1.736 53.748 52.037 -0.042 0.000 0.627 374 A CB -0.276 18.694 19.000 -0.050 0.000 0.818 374 A HN 0.816 nan 8.150 nan 0.000 0.445 375 D N -2.977 117.409 120.400 -0.023 0.000 2.476 375 D HA 0.441 5.081 4.640 -0.001 0.000 0.251 375 D C -2.271 174.022 176.300 -0.012 0.000 1.291 375 D CA -2.029 51.960 54.000 -0.019 0.000 0.939 375 D CB 1.534 42.321 40.800 -0.021 0.000 1.221 375 D HN -0.153 nan 8.370 nan 0.000 0.567 376 P HA -0.118 nan 4.420 nan 0.000 0.217 376 P C 0.601 177.900 177.300 -0.002 0.000 1.151 376 P CA 1.294 64.393 63.100 -0.002 0.000 0.849 376 P CB 0.299 31.998 31.700 -0.001 0.000 0.787 377 A N -1.007 121.811 122.820 -0.003 0.000 2.379 377 A HA 0.058 4.378 4.320 -0.001 0.000 0.236 377 A C 0.903 178.485 177.584 -0.003 0.000 1.272 377 A CA -0.320 51.716 52.037 -0.000 0.000 0.886 377 A CB -1.013 17.988 19.000 0.001 0.000 0.962 377 A HN 0.296 nan 8.150 nan 0.000 0.504 378 Q N 0.487 120.281 119.800 -0.010 0.000 2.392 378 Q HA 0.201 4.540 4.340 -0.001 0.000 0.262 378 Q C -1.210 174.778 176.000 -0.020 0.000 1.003 378 Q CA -0.448 55.345 55.803 -0.016 0.000 0.888 378 Q CB 0.566 29.290 28.738 -0.024 0.000 1.260 378 Q HN 0.253 nan 8.270 nan 0.000 0.435 379 D N 1.996 122.384 120.400 -0.020 0.000 2.357 379 D HA 0.145 4.785 4.640 -0.001 0.000 0.242 379 D C -0.515 175.741 176.300 -0.073 0.000 1.153 379 D CA 0.052 54.040 54.000 -0.020 0.000 0.918 379 D CB 1.000 41.798 40.800 -0.003 0.000 1.181 379 D HN 0.503 nan 8.370 nan 0.000 0.435 380 T N 1.929 116.415 114.554 -0.114 0.000 2.767 380 T HA 0.192 4.542 4.350 -0.001 0.000 0.288 380 T C 0.148 174.625 174.700 -0.372 0.000 0.963 380 T CA -0.697 61.199 62.100 -0.340 0.000 1.019 380 T CB 0.910 69.418 68.868 -0.601 0.000 0.923 380 T HN 0.086 nan 8.240 nan 0.000 0.468 381 E N 3.359 123.352 120.200 -0.346 0.000 1.998 381 E HA 0.225 4.574 4.350 -0.001 0.000 0.257 381 E C -0.464 175.996 176.600 -0.234 0.000 1.038 381 E CA -0.259 56.024 56.400 -0.195 0.000 0.869 381 E CB 0.006 29.641 29.700 -0.108 0.000 1.135 381 E HN 0.534 nan 8.360 nan 0.000 0.430 382 F N 0.913 120.841 119.950 -0.037 0.000 2.459 382 F HA 0.183 4.710 4.527 -0.001 0.000 0.346 382 F C 1.563 177.331 175.800 -0.054 0.000 1.128 382 F CA -0.279 57.659 58.000 -0.104 0.000 1.268 382 F CB 0.815 39.792 39.000 -0.038 0.000 1.161 382 F HN 0.021 nan 8.300 nan 0.000 0.583 383 R N 3.681 124.242 120.500 0.103 0.000 2.235 383 R HA 0.322 4.662 4.340 -0.001 0.000 0.338 383 R C -0.066 176.357 176.300 0.204 0.000 1.087 383 R CA -0.117 56.042 56.100 0.100 0.000 0.948 383 R CB 0.048 30.372 30.300 0.040 0.000 1.099 383 R HN 0.813 nan 8.270 nan 0.000 0.483 384 L N 2.680 124.020 121.223 0.196 0.000 2.640 384 L HA 0.108 4.447 4.340 -0.001 0.000 0.230 384 L C 1.470 178.412 176.870 0.121 0.000 1.123 384 L CA 0.211 55.175 54.840 0.207 0.000 0.900 384 L CB 0.629 42.779 42.059 0.153 0.000 1.146 384 L HN 0.598 nan 8.230 nan 0.000 0.484 385 T N -4.096 110.515 114.554 0.096 0.000 3.145 385 T HA 0.126 4.475 4.350 -0.001 0.000 0.255 385 T C 0.659 175.391 174.700 0.053 0.000 1.039 385 T CA -0.103 62.026 62.100 0.049 0.000 0.928 385 T CB -0.287 68.595 68.868 0.024 0.000 1.029 385 T HN 0.183 nan 8.240 nan 0.000 0.554 386 T N -1.257 113.364 114.554 0.112 0.000 2.932 386 T HA 0.552 4.902 4.350 -0.001 0.000 0.289 386 T C -2.366 172.450 174.700 0.194 0.000 1.039 386 T CA -1.965 60.197 62.100 0.103 0.000 1.024 386 T CB 1.723 70.640 68.868 0.081 0.000 1.090 386 T HN -0.295 nan 8.240 nan 0.000 0.496 387 P HA 0.147 nan 4.420 nan 0.000 0.223 387 P C -0.010 177.420 177.300 0.217 0.000 1.144 387 P CA 0.685 63.897 63.100 0.188 0.000 0.783 387 P CB 0.012 31.747 31.700 0.059 0.000 0.771 388 A N -1.574 121.318 122.820 0.121 0.000 2.371 388 A HA 0.446 4.765 4.320 -0.001 0.000 0.311 388 A C -0.991 176.615 177.584 0.037 0.000 1.068 388 A CA -0.623 51.395 52.037 -0.032 0.000 0.744 388 A CB 0.464 19.460 19.000 -0.006 0.000 1.239 388 A HN -0.120 nan 8.150 nan 0.000 0.435 389 Y N 1.379 121.495 120.300 -0.307 0.000 2.550 389 Y HA 0.414 4.964 4.550 -0.001 0.000 0.343 389 Y C 0.952 176.860 175.900 0.013 0.000 1.245 389 Y CA 1.185 59.227 58.100 -0.096 0.000 1.462 389 Y CB 0.708 39.059 38.460 -0.182 0.000 1.340 389 Y HN 1.128 nan 8.280 nan 0.000 0.604 390 G N 2.692 111.359 108.800 -0.221 0.000 2.435 390 G HA2 0.425 4.384 3.960 -0.001 0.000 0.296 390 G HA3 0.425 4.384 3.960 -0.001 0.000 0.296 390 G C -2.179 172.607 174.900 -0.190 0.000 1.240 390 G CA -0.928 44.077 45.100 -0.157 0.000 0.872 390 G HN 0.634 nan 8.290 nan 0.000 0.480 391 L N 0.218 121.378 121.223 -0.105 0.000 2.354 391 L HA 0.532 4.871 4.340 -0.001 0.000 0.264 391 L C 1.520 178.352 176.870 -0.064 0.000 1.008 391 L CA -0.340 54.426 54.840 -0.123 0.000 0.819 391 L CB 2.573 44.542 42.059 -0.150 0.000 1.339 391 L HN 0.876 nan 8.230 nan 0.000 0.420 392 T N -3.274 111.244 114.554 -0.060 0.000 3.037 392 T HA 0.167 4.517 4.350 -0.001 0.000 0.252 392 T C 0.319 174.998 174.700 -0.035 0.000 1.073 392 T CA 0.109 62.190 62.100 -0.031 0.000 1.091 392 T CB 0.489 69.347 68.868 -0.016 0.000 0.935 392 T HN 0.608 nan 8.240 nan 0.000 0.488 393 E N -0.415 119.753 120.200 -0.053 0.000 2.390 393 E HA 0.537 4.886 4.350 -0.001 0.000 0.280 393 E C -2.462 174.106 176.600 -0.054 0.000 0.992 393 E CA -0.980 55.398 56.400 -0.038 0.000 0.790 393 E CB 2.227 31.908 29.700 -0.031 0.000 1.248 393 E HN 0.143 nan 8.360 nan 0.000 0.447 394 L N 4.033 125.242 121.223 -0.023 0.000 2.680 394 L HA 0.347 4.686 4.340 -0.001 0.000 0.260 394 L C -1.748 175.125 176.870 0.004 0.000 0.975 394 L CA -0.326 54.498 54.840 -0.027 0.000 0.920 394 L CB 1.442 43.486 42.059 -0.026 0.000 1.234 394 L HN 0.578 nan 8.230 nan 0.000 0.429 395 M N 5.370 124.969 119.600 -0.002 0.000 2.146 395 M HA 0.540 5.019 4.480 -0.001 0.000 0.352 395 M C -0.098 176.205 176.300 0.005 0.000 1.343 395 M CA -0.220 55.085 55.300 0.008 0.000 1.115 395 M CB 0.885 33.481 32.600 -0.007 0.000 1.657 395 M HN 0.394 nan 8.290 nan 0.000 0.471 396 V N 0.727 120.655 119.914 0.022 0.000 3.001 396 V HA 1.078 5.198 4.120 -0.001 0.000 0.314 396 V C -0.513 175.597 176.094 0.026 0.000 1.099 396 V CA -1.069 61.251 62.300 0.034 0.000 0.989 396 V CB 1.668 33.516 31.823 0.042 0.000 1.040 396 V HN 0.919 nan 8.190 nan 0.000 0.434 397 A N 1.977 124.801 122.820 0.008 0.000 2.430 397 A HA 1.094 5.413 4.320 -0.001 0.000 0.300 397 A C -1.074 176.533 177.584 0.039 0.000 1.124 397 A CA -0.395 51.551 52.037 -0.153 0.000 0.766 397 A CB 1.748 20.637 19.000 -0.184 0.000 1.328 397 A HN 2.098 nan 8.150 nan 0.000 0.424 398 W N 0.000 121.205 121.300 -0.158 0.000 2.388 398 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 398 W CA 0.000 57.285 57.345 -0.099 0.000 1.226 398 W CB 0.000 29.342 29.460 -0.196 0.000 1.126 398 W HN 0.000 nan 8.180 nan 0.000 0.535