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 2zdh_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVLLIAGGV SPEHEVSLLS AEGVLRHIPF PTDLAVIAQD GRWLLGEKAL DATA SEQUENCE TALEAKAAPE GEHPFPPPLS WERYDVVFPL LHGRFGEDGT VQGFLELLGK DATA SEQUENCE PYVGAGVAAS ALCMDKDLSK RVLAQAGVPV VPWVAVRKGE PPVVPFDPPF DATA SEQUENCE FVKPANTGSS VGISRVERFQ DLEAALALAF RYDEKAVVEK ALSPVRELEV DATA SEQUENCE GVLGNVFGEA SPVGEVRYEA PFYXXXXXXX PGRAELLIPA PLDPGTQETV DATA SEQUENCE QELALKAYKV LGVRGMARVD FFLAEGELYL NELNTIPGFT PTSMYPRLFE DATA SEQUENCE AGGVAYPELL RRLVELALT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.024 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.016 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.051 0.000 1.302 2 R N 3.668 124.179 120.500 0.019 0.000 2.538 2 R HA 0.892 5.231 4.340 -0.001 0.000 0.292 2 R C -1.915 174.508 176.300 0.204 0.000 1.008 2 R CA -0.665 55.500 56.100 0.107 0.000 0.896 2 R CB 1.928 32.253 30.300 0.042 0.000 1.187 2 R HN 0.619 nan 8.270 nan 0.000 0.440 3 V N 4.947 124.999 119.914 0.229 0.000 2.547 3 V HA 0.460 4.579 4.120 -0.001 0.000 0.299 3 V C -0.618 175.572 176.094 0.159 0.000 1.040 3 V CA -0.928 61.490 62.300 0.196 0.000 0.913 3 V CB 1.663 33.575 31.823 0.148 0.000 0.992 3 V HN 0.609 nan 8.190 nan 0.000 0.449 4 L N 5.092 126.295 121.223 -0.033 0.000 2.305 4 L HA 0.661 5.000 4.340 -0.001 0.000 0.284 4 L C -0.895 175.926 176.870 -0.082 0.000 1.013 4 L CA -0.254 54.378 54.840 -0.347 0.000 0.819 4 L CB 1.349 42.918 42.059 -0.816 0.000 1.227 4 L HN 0.623 nan 8.230 nan 0.000 0.417 5 L N 6.553 127.725 121.223 -0.085 0.000 2.282 5 L HA 0.616 4.955 4.340 -0.001 0.000 0.288 5 L C -0.902 175.913 176.870 -0.092 0.000 1.033 5 L CA 0.045 54.836 54.840 -0.081 0.000 0.807 5 L CB 1.049 43.018 42.059 -0.150 0.000 1.209 5 L HN 0.563 nan 8.230 nan 0.000 0.423 6 I N 5.355 125.884 120.570 -0.069 0.000 2.378 6 I HA 0.768 4.937 4.170 -0.001 0.000 0.291 6 I C -0.096 175.912 176.117 -0.182 0.000 0.992 6 I CA -0.396 60.846 61.300 -0.097 0.000 1.154 6 I CB 1.579 39.578 38.000 -0.002 0.000 1.315 6 I HN 0.806 nan 8.210 nan 0.000 0.448 7 A N 3.950 126.631 122.820 -0.231 0.000 2.564 7 A HA 0.984 5.303 4.320 -0.001 0.000 0.288 7 A C 0.148 177.552 177.584 -0.300 0.000 1.164 7 A CA 0.009 51.891 52.037 -0.260 0.000 0.712 7 A CB 1.371 20.230 19.000 -0.235 0.000 1.303 7 A HN 1.049 nan 8.150 nan 0.000 0.418 8 G N -0.778 107.815 108.800 -0.346 0.000 3.035 8 G HA2 0.551 4.510 3.960 -0.001 0.000 0.242 8 G HA3 0.551 4.510 3.960 -0.001 0.000 0.242 8 G C 1.423 176.193 174.900 -0.216 0.000 1.524 8 G CA 1.050 45.851 45.100 -0.497 0.000 1.038 8 G HN 3.167 nan 8.290 nan 0.000 0.561 9 G N -2.482 106.281 108.800 -0.062 0.000 2.663 9 G HA2 0.321 4.281 3.960 -0.001 0.000 0.686 9 G HA3 0.321 4.281 3.960 -0.001 0.000 0.686 9 G C 0.838 175.813 174.900 0.125 0.000 1.288 9 G CA 1.270 46.367 45.100 -0.005 0.000 0.836 9 G HN 2.299 nan 8.290 nan 0.000 0.584 10 V N -1.657 118.299 119.914 0.070 0.000 3.649 10 V HA 0.524 4.643 4.120 -0.001 0.000 0.275 10 V C 1.531 177.684 176.094 0.098 0.000 1.281 10 V CA 1.407 63.747 62.300 0.067 0.000 1.143 10 V CB -0.392 31.460 31.823 0.048 0.000 0.892 10 V HN 2.035 nan 8.190 nan 0.000 0.441 11 S N 0.608 116.379 115.700 0.118 0.000 2.645 11 S HA 0.448 4.917 4.470 -0.001 0.000 0.266 11 S C -1.408 173.242 174.600 0.085 0.000 1.258 11 S CA -0.671 57.584 58.200 0.092 0.000 0.990 11 S CB 0.720 63.970 63.200 0.084 0.000 0.967 11 S HN 0.226 nan 8.310 nan 0.000 0.556 12 P HA 0.035 nan 4.420 nan 0.000 0.228 12 P C 0.247 177.592 177.300 0.075 0.000 1.151 12 P CA 0.879 64.005 63.100 0.043 0.000 0.770 12 P CB -0.066 31.635 31.700 0.002 0.000 0.786 13 E N -1.825 118.434 120.200 0.098 0.000 2.368 13 E HA -0.060 4.289 4.350 -0.001 0.000 0.188 13 E C 1.447 178.146 176.600 0.164 0.000 1.061 13 E CA -0.177 56.296 56.400 0.122 0.000 0.933 13 E CB -0.467 29.313 29.700 0.134 0.000 1.091 13 E HN 0.426 nan 8.360 nan 0.000 0.458 14 H N 1.934 121.033 119.070 0.048 0.000 2.319 14 H HA -0.178 4.377 4.556 -0.002 0.000 0.297 14 H C 1.148 176.493 175.328 0.028 0.000 1.097 14 H CA 1.975 58.036 56.048 0.022 0.000 1.285 14 H CB 0.549 30.310 29.762 -0.002 0.000 1.368 14 H HN 0.190 nan 8.280 nan 0.000 0.495 15 E N 0.182 120.488 120.200 0.176 0.000 2.072 15 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 15 E C 2.619 179.240 176.600 0.035 0.000 0.985 15 E CA 1.570 58.028 56.400 0.097 0.000 0.801 15 E CB -0.173 29.600 29.700 0.121 0.000 0.750 15 E HN 0.501 nan 8.360 nan 0.000 0.452 16 V N -1.222 118.731 119.914 0.065 0.000 2.626 16 V HA -0.202 3.917 4.120 -0.001 0.000 0.252 16 V C 2.221 178.393 176.094 0.129 0.000 1.067 16 V CA 1.864 64.205 62.300 0.069 0.000 1.081 16 V CB -0.484 31.357 31.823 0.030 0.000 0.686 16 V HN 0.226 nan 8.190 nan 0.000 0.468 17 S N 0.535 116.327 115.700 0.153 0.000 2.368 17 S HA -0.100 4.369 4.470 -0.001 0.000 0.225 17 S C 1.916 176.490 174.600 -0.044 0.000 1.030 17 S CA 1.991 60.243 58.200 0.087 0.000 0.999 17 S CB -0.549 62.585 63.200 -0.110 0.000 0.844 17 S HN 0.663 nan 8.310 nan 0.000 0.459 18 L N 0.853 122.004 121.223 -0.119 0.000 2.083 18 L HA -0.059 4.281 4.340 -0.001 0.000 0.209 18 L C 2.432 179.280 176.870 -0.037 0.000 1.083 18 L CA 0.957 55.725 54.840 -0.119 0.000 0.752 18 L CB -0.510 41.460 42.059 -0.148 0.000 0.899 18 L HN 0.352 nan 8.230 nan 0.000 0.433 19 L N -1.150 120.077 121.223 0.006 0.000 2.093 19 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 19 L C 2.688 179.600 176.870 0.070 0.000 1.085 19 L CA 0.890 55.751 54.840 0.035 0.000 0.755 19 L CB -0.370 41.715 42.059 0.044 0.000 0.904 19 L HN 0.176 nan 8.230 nan 0.000 0.435 20 S N -0.134 115.630 115.700 0.106 0.000 2.368 20 S HA -0.136 4.333 4.470 -0.001 0.000 0.224 20 S C 2.202 176.849 174.600 0.079 0.000 1.029 20 S CA 1.126 59.429 58.200 0.172 0.000 0.988 20 S CB -0.216 63.145 63.200 0.269 0.000 0.838 20 S HN 0.492 nan 8.310 nan 0.000 0.462 21 A N 1.480 124.286 122.820 -0.023 0.000 1.902 21 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 21 A C 2.022 179.586 177.584 -0.033 0.000 1.181 21 A CA 1.824 53.804 52.037 -0.095 0.000 0.623 21 A CB -0.669 18.255 19.000 -0.126 0.000 0.818 21 A HN 0.616 nan 8.150 nan 0.000 0.443 22 E N -0.529 119.671 120.200 -0.001 0.000 2.058 22 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 22 E C 2.060 178.690 176.600 0.050 0.000 0.997 22 E CA 1.262 57.669 56.400 0.012 0.000 0.801 22 E CB -0.472 29.235 29.700 0.013 0.000 0.746 22 E HN 0.500 nan 8.360 nan 0.000 0.450 23 G N 0.375 109.247 108.800 0.120 0.000 2.402 23 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 23 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 23 G C 1.661 176.799 174.900 0.396 0.000 1.162 23 G CA 0.874 46.121 45.100 0.244 0.000 0.777 23 G HN 0.240 nan 8.290 nan 0.000 0.539 24 V N 0.937 121.009 119.914 0.263 0.000 2.295 24 V HA -0.117 4.003 4.120 -0.001 0.000 0.246 24 V C 2.922 179.055 176.094 0.065 0.000 1.049 24 V CA 1.423 63.797 62.300 0.124 0.000 1.024 24 V CB -0.449 31.277 31.823 -0.162 0.000 0.648 24 V HN 0.336 nan 8.190 nan 0.000 0.447 25 L N -0.640 120.591 121.223 0.013 0.000 2.079 25 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 25 L C 2.839 179.699 176.870 -0.016 0.000 1.081 25 L CA 1.377 56.215 54.840 -0.002 0.000 0.752 25 L CB -0.602 41.446 42.059 -0.019 0.000 0.896 25 L HN 0.232 nan 8.230 nan 0.000 0.433 26 R N -0.677 119.787 120.500 -0.060 0.000 2.120 26 R HA -0.104 4.236 4.340 -0.001 0.000 0.234 26 R C 1.504 177.575 176.300 -0.382 0.000 1.123 26 R CA 1.161 57.110 56.100 -0.250 0.000 0.975 26 R CB -0.393 29.679 30.300 -0.380 0.000 0.866 26 R HN 0.550 nan 8.270 nan 0.000 0.446 27 H N -1.616 117.565 119.070 0.185 0.000 3.058 27 H HA 0.232 4.787 4.556 -0.002 0.000 0.266 27 H C 0.478 175.838 175.328 0.054 0.000 1.135 27 H CA -0.531 55.618 56.048 0.169 0.000 1.174 27 H CB 0.628 30.626 29.762 0.394 0.000 1.581 27 H HN 0.045 nan 8.280 nan 0.000 0.553 28 I N 5.631 126.267 120.570 0.109 0.000 2.598 28 I HA 0.014 4.183 4.170 -0.001 0.000 0.284 28 I C -1.408 174.702 176.117 -0.011 0.000 1.140 28 I CA -1.336 59.999 61.300 0.058 0.000 1.420 28 I CB 1.116 39.183 38.000 0.113 0.000 1.387 28 I HN -0.102 nan 8.210 nan 0.000 0.553 29 P HA 0.171 nan 4.420 nan 0.000 0.249 29 P C -1.053 175.887 177.300 -0.599 0.000 1.593 29 P CA 0.266 63.140 63.100 -0.377 0.000 0.896 29 P CB -0.405 31.014 31.700 -0.469 0.000 1.581 30 F N -0.283 119.698 119.950 0.052 0.000 2.613 30 F HA 0.466 4.992 4.527 -0.001 0.000 0.310 30 F C -2.363 173.471 175.800 0.057 0.000 1.085 30 F CA -2.944 55.087 58.000 0.052 0.000 0.945 30 F CB 0.707 39.742 39.000 0.059 0.000 1.298 30 F HN -0.316 nan 8.300 nan 0.000 0.455 31 P HA 0.245 nan 4.420 nan 0.000 0.267 31 P C -0.933 176.483 177.300 0.193 0.000 1.205 31 P CA 0.229 63.432 63.100 0.171 0.000 0.765 31 P CB 0.601 32.381 31.700 0.134 0.000 0.828 32 T N 2.477 117.125 114.554 0.156 0.000 2.952 32 T HA 0.342 4.691 4.350 -0.001 0.000 0.305 32 T C -1.010 173.761 174.700 0.118 0.000 1.064 32 T CA -0.631 61.560 62.100 0.152 0.000 1.008 32 T CB 1.345 70.289 68.868 0.127 0.000 1.078 32 T HN 0.194 nan 8.240 nan 0.000 0.459 33 D N 1.519 121.995 120.400 0.126 0.000 2.299 33 D HA 0.618 5.257 4.640 -0.001 0.000 0.243 33 D C -0.754 175.534 176.300 -0.021 0.000 0.982 33 D CA -0.552 53.497 54.000 0.081 0.000 0.924 33 D CB 2.181 43.092 40.800 0.184 0.000 1.238 33 D HN 0.272 nan 8.370 nan 0.000 0.484 34 L N 0.690 121.900 121.223 -0.022 0.000 2.334 34 L HA 0.737 5.077 4.340 -0.001 0.000 0.276 34 L C -1.275 175.570 176.870 -0.041 0.000 1.014 34 L CA -0.555 54.254 54.840 -0.052 0.000 0.815 34 L CB 1.605 43.637 42.059 -0.045 0.000 1.268 34 L HN 0.448 nan 8.230 nan 0.000 0.428 35 A N 4.372 127.163 122.820 -0.050 0.000 2.393 35 A HA 0.813 5.132 4.320 -0.001 0.000 0.306 35 A C -1.570 175.968 177.584 -0.077 0.000 1.050 35 A CA -0.542 51.502 52.037 0.011 0.000 0.724 35 A CB 1.678 20.745 19.000 0.112 0.000 1.248 35 A HN 0.514 nan 8.150 nan 0.000 0.424 36 V N 3.294 123.162 119.914 -0.076 0.000 2.555 36 V HA 0.415 4.535 4.120 -0.001 0.000 0.302 36 V C -0.367 175.546 176.094 -0.302 0.000 1.038 36 V CA -0.334 61.859 62.300 -0.178 0.000 0.887 36 V CB 1.765 33.536 31.823 -0.087 0.000 0.991 36 V HN 0.770 nan 8.190 nan 0.000 0.434 37 I N 4.210 124.510 120.570 -0.450 0.000 2.297 37 I HA 0.516 4.685 4.170 -0.001 0.000 0.291 37 I C 0.813 176.840 176.117 -0.150 0.000 1.033 37 I CA -0.228 60.743 61.300 -0.549 0.000 1.253 37 I CB 1.435 39.026 38.000 -0.683 0.000 1.396 37 I HN 0.746 nan 8.210 nan 0.000 0.476 38 A N 5.441 128.222 122.820 -0.064 0.000 2.346 38 A HA 0.151 4.470 4.320 -0.001 0.000 0.252 38 A C 1.045 178.609 177.584 -0.033 0.000 1.089 38 A CA -0.089 51.963 52.037 0.025 0.000 0.797 38 A CB 0.328 19.332 19.000 0.006 0.000 1.047 38 A HN 0.821 nan 8.150 nan 0.000 0.494 39 Q N -0.251 119.447 119.800 -0.170 0.000 2.364 39 Q HA -0.167 4.172 4.340 -0.001 0.000 0.209 39 Q C 0.401 176.347 176.000 -0.090 0.000 0.977 39 Q CA 1.459 57.139 55.803 -0.204 0.000 0.885 39 Q CB -0.083 28.449 28.738 -0.343 0.000 0.941 39 Q HN 0.896 nan 8.270 nan 0.000 0.464 40 D N -1.795 118.569 120.400 -0.060 0.000 2.328 40 D HA 0.074 4.713 4.640 -0.001 0.000 0.221 40 D C 1.126 177.418 176.300 -0.014 0.000 1.072 40 D CA 0.694 54.677 54.000 -0.029 0.000 0.850 40 D CB 0.255 41.045 40.800 -0.017 0.000 0.922 40 D HN 0.218 nan 8.370 nan 0.000 0.516 41 G N 0.368 109.153 108.800 -0.025 0.000 2.217 41 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.246 41 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.246 41 G C 0.349 175.322 174.900 0.121 0.000 0.990 41 G CA -0.048 45.042 45.100 -0.016 0.000 0.627 41 G HN 0.478 nan 8.290 nan 0.000 0.522 42 R N -0.646 119.934 120.500 0.135 0.000 2.490 42 R HA 0.503 4.842 4.340 -0.001 0.000 0.278 42 R C -0.251 176.239 176.300 0.317 0.000 1.069 42 R CA -0.480 55.778 56.100 0.264 0.000 1.080 42 R CB 0.568 30.953 30.300 0.141 0.000 1.030 42 R HN 0.212 nan 8.270 nan 0.000 0.491 43 W N 2.164 123.527 121.300 0.105 0.000 2.375 43 W HA 0.418 5.077 4.660 -0.002 0.000 0.336 43 W C -0.363 176.224 176.519 0.114 0.000 1.160 43 W CA -0.439 56.979 57.345 0.121 0.000 1.266 43 W CB 0.462 30.018 29.460 0.160 0.000 1.195 43 W HN 0.225 nan 8.180 nan 0.000 0.599 44 L N 3.559 124.958 121.223 0.293 0.000 2.356 44 L HA 0.547 4.886 4.340 -0.001 0.000 0.277 44 L C -0.320 176.673 176.870 0.206 0.000 0.996 44 L CA -0.701 54.253 54.840 0.190 0.000 0.822 44 L CB 0.834 42.944 42.059 0.085 0.000 1.256 44 L HN 0.220 nan 8.230 nan 0.000 0.413 45 L N 1.286 122.636 121.223 0.213 0.000 2.260 45 L HA 0.815 5.154 4.340 -0.001 0.000 0.265 45 L C 1.135 178.061 176.870 0.094 0.000 1.015 45 L CA -0.594 54.333 54.840 0.146 0.000 0.826 45 L CB 1.389 43.525 42.059 0.127 0.000 1.373 45 L HN 0.764 nan 8.230 nan 0.000 0.450 46 G N 0.266 109.103 108.800 0.063 0.000 2.634 46 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.309 46 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.309 46 G C 0.740 175.665 174.900 0.041 0.000 1.265 46 G CA 0.544 45.674 45.100 0.050 0.000 0.998 46 G HN 0.705 nan 8.290 nan 0.000 0.551 47 E N 0.699 120.921 120.200 0.036 0.000 2.153 47 E HA -0.082 4.267 4.350 -0.001 0.000 0.194 47 E C 2.541 179.157 176.600 0.027 0.000 0.988 47 E CA 1.424 57.841 56.400 0.028 0.000 0.811 47 E CB -0.248 29.466 29.700 0.024 0.000 0.746 47 E HN 0.674 nan 8.360 nan 0.000 0.466 48 K N 0.597 121.018 120.400 0.035 0.000 2.209 48 K HA -0.041 4.278 4.320 -0.001 0.000 0.204 48 K C 2.093 178.712 176.600 0.030 0.000 1.048 48 K CA 0.944 57.250 56.287 0.031 0.000 0.940 48 K CB -0.046 32.476 32.500 0.036 0.000 0.729 48 K HN 0.033 nan 8.250 nan 0.000 0.451 49 A N 1.365 124.206 122.820 0.034 0.000 1.897 49 A HA -0.081 4.238 4.320 -0.001 0.000 0.215 49 A C 2.057 179.644 177.584 0.005 0.000 1.181 49 A CA 1.023 53.072 52.037 0.020 0.000 0.620 49 A CB -0.463 18.549 19.000 0.020 0.000 0.821 49 A HN 0.137 nan 8.150 nan 0.000 0.443 50 L N -0.736 120.492 121.223 0.008 0.000 2.141 50 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 50 L C 2.647 179.520 176.870 0.005 0.000 1.094 50 L CA 1.547 56.389 54.840 0.003 0.000 0.763 50 L CB -0.902 41.162 42.059 0.008 0.000 0.908 50 L HN 0.316 nan 8.230 nan 0.000 0.437 51 T N 0.087 114.648 114.554 0.010 0.000 2.777 51 T HA -0.115 4.235 4.350 -0.001 0.000 0.266 51 T C 2.076 176.783 174.700 0.013 0.000 1.040 51 T CA 1.290 63.397 62.100 0.011 0.000 1.141 51 T CB -0.144 68.732 68.868 0.013 0.000 0.868 51 T HN 0.431 nan 8.240 nan 0.000 0.444 52 A N 1.330 124.158 122.820 0.014 0.000 1.902 52 A HA -0.010 4.310 4.320 -0.001 0.000 0.217 52 A C 2.229 179.820 177.584 0.012 0.000 1.181 52 A CA 1.223 53.273 52.037 0.021 0.000 0.623 52 A CB -0.807 18.208 19.000 0.025 0.000 0.818 52 A HN 0.400 nan 8.150 nan 0.000 0.443 53 L N 0.954 122.173 121.223 -0.006 0.000 2.012 53 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 53 L C 2.502 179.369 176.870 -0.004 0.000 1.073 53 L CA 2.864 57.694 54.840 -0.017 0.000 0.748 53 L CB -0.744 41.300 42.059 -0.024 0.000 0.891 53 L HN 0.698 nan 8.230 nan 0.000 0.431 54 E N -0.702 119.499 120.200 0.002 0.000 2.204 54 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 54 E C 1.788 178.395 176.600 0.012 0.000 0.989 54 E CA 1.037 57.441 56.400 0.006 0.000 0.824 54 E CB -0.433 29.270 29.700 0.006 0.000 0.756 54 E HN 0.502 nan 8.360 nan 0.000 0.477 55 A N 0.985 123.815 122.820 0.016 0.000 2.167 55 A HA 0.041 4.360 4.320 -0.001 0.000 0.214 55 A C 1.049 178.652 177.584 0.032 0.000 1.151 55 A CA 0.798 52.848 52.037 0.023 0.000 0.735 55 A CB -0.166 18.850 19.000 0.026 0.000 0.802 55 A HN 0.178 nan 8.150 nan 0.000 0.467 56 K N -3.368 117.049 120.400 0.029 0.000 3.495 56 K HA -0.199 4.120 4.320 -0.001 0.000 0.315 56 K C -0.030 176.617 176.600 0.078 0.000 1.301 56 K CA 1.170 57.478 56.287 0.035 0.000 0.985 56 K CB -2.175 30.344 32.500 0.032 0.000 1.244 56 K HN 1.428 nan 8.250 nan 0.000 0.433 57 A N -1.084 121.804 122.820 0.113 0.000 2.547 57 A HA 0.768 5.087 4.320 -0.001 0.000 0.298 57 A C -1.328 176.363 177.584 0.178 0.000 1.062 57 A CA -0.162 52.010 52.037 0.225 0.000 0.748 57 A CB 1.605 20.676 19.000 0.118 0.000 1.288 57 A HN 0.558 nan 8.150 nan 0.000 0.396 58 A N 4.034 127.018 122.820 0.273 0.000 2.664 58 A HA 0.726 5.045 4.320 -0.001 0.000 0.338 58 A C -2.190 175.363 177.584 -0.050 0.000 1.280 58 A CA -1.505 50.594 52.037 0.103 0.000 0.809 58 A CB 0.381 19.473 19.000 0.154 0.000 1.114 58 A HN 0.400 nan 8.150 nan 0.000 0.479 59 P HA -0.112 nan 4.420 nan 0.000 0.215 59 P C 0.063 177.321 177.300 -0.071 0.000 1.157 59 P CA 1.399 64.436 63.100 -0.104 0.000 0.868 59 P CB 0.302 31.965 31.700 -0.061 0.000 0.788 60 E N -0.960 119.219 120.200 -0.034 0.000 2.248 60 E HA 0.540 4.890 4.350 -0.001 0.000 0.267 60 E C -0.068 176.531 176.600 -0.002 0.000 0.877 60 E CA -0.833 55.556 56.400 -0.018 0.000 0.759 60 E CB 1.880 31.571 29.700 -0.015 0.000 1.182 60 E HN -0.055 nan 8.360 nan 0.000 0.418 61 G N 0.672 109.479 108.800 0.012 0.000 2.613 61 G HA2 0.163 4.123 3.960 -0.001 0.000 0.303 61 G HA3 0.163 4.123 3.960 -0.001 0.000 0.303 61 G C 0.186 175.087 174.900 0.001 0.000 1.312 61 G CA -0.223 44.897 45.100 0.033 0.000 1.036 61 G HN 0.625 nan 8.290 nan 0.000 0.513 62 E N -1.564 118.615 120.200 -0.034 0.000 2.207 62 E HA 0.022 4.371 4.350 -0.001 0.000 0.197 62 E C -0.145 176.318 176.600 -0.228 0.000 0.914 62 E CA -0.193 56.085 56.400 -0.202 0.000 0.914 62 E CB 0.220 29.670 29.700 -0.417 0.000 0.893 62 E HN 0.472 nan 8.360 nan 0.000 0.479 63 H N 2.658 121.798 119.070 0.116 0.000 2.604 63 H HA 0.266 4.821 4.556 -0.002 0.000 0.306 63 H C -2.150 173.244 175.328 0.110 0.000 1.075 63 H CA -2.312 53.786 56.048 0.082 0.000 1.357 63 H CB 0.966 30.753 29.762 0.041 0.000 1.426 63 H HN 0.264 nan 8.280 nan 0.000 0.470 64 P HA -0.004 nan 4.420 nan 0.000 0.274 64 P C -0.056 177.293 177.300 0.082 0.000 1.231 64 P CA -0.337 62.849 63.100 0.143 0.000 0.790 64 P CB 0.803 32.553 31.700 0.083 0.000 0.951 65 F N 4.611 124.540 119.950 -0.035 0.000 2.484 65 F HA 0.271 4.797 4.527 -0.002 0.000 0.360 65 F C -1.539 174.152 175.800 -0.183 0.000 1.101 65 F CA -1.468 56.416 58.000 -0.194 0.000 1.251 65 F CB 0.090 39.026 39.000 -0.106 0.000 1.132 65 F HN 0.235 nan 8.300 nan 0.000 0.570 66 P HA 0.284 nan 4.420 nan 0.000 0.284 66 P C -2.907 174.003 177.300 -0.650 0.000 1.253 66 P CA -1.411 60.862 63.100 -1.377 0.000 0.800 66 P CB 0.886 31.913 31.700 -1.122 0.000 0.961 67 P HA 0.195 nan 4.420 nan 0.000 0.274 67 P C -2.286 174.797 177.300 -0.361 0.000 1.231 67 P CA -1.717 61.066 63.100 -0.529 0.000 0.790 67 P CB -0.206 31.031 31.700 -0.771 0.000 0.951 68 P HA 0.263 nan 4.420 nan 0.000 0.225 68 P C -0.466 176.622 177.300 -0.352 0.000 1.813 68 P CA 0.032 62.945 63.100 -0.312 0.000 1.013 68 P CB -0.058 31.445 31.700 -0.328 0.000 1.961 69 L N 1.105 122.076 121.223 -0.420 0.000 2.309 69 L HA 0.316 4.656 4.340 -0.001 0.000 0.282 69 L C 0.436 176.951 176.870 -0.593 0.000 1.036 69 L CA -0.501 53.977 54.840 -0.604 0.000 0.806 69 L CB 1.394 42.828 42.059 -1.043 0.000 1.220 69 L HN -0.032 nan 8.230 nan 0.000 0.429 70 S N 4.260 119.766 115.700 -0.323 0.000 3.900 70 S HA -0.001 4.468 4.470 -0.001 0.000 0.248 70 S C 0.594 175.155 174.600 -0.066 0.000 1.310 70 S CA -0.311 57.795 58.200 -0.157 0.000 0.915 70 S CB -0.415 62.719 63.200 -0.109 0.000 1.588 70 S HN 0.671 nan 8.310 nan 0.000 0.472 71 W N 2.196 123.551 121.300 0.092 0.000 2.331 71 W HA -0.201 4.459 4.660 -0.000 0.000 0.291 71 W C 2.403 178.980 176.519 0.097 0.000 1.214 71 W CA 0.931 58.363 57.345 0.144 0.000 1.228 71 W CB -0.184 29.281 29.460 0.008 0.000 1.135 71 W HN 0.593 nan 8.180 nan 0.000 0.537 72 E N 1.472 121.789 120.200 0.194 0.000 2.333 72 E HA -0.198 4.151 4.350 -0.001 0.000 0.198 72 E C 1.490 178.060 176.600 -0.049 0.000 1.007 72 E CA 1.194 57.635 56.400 0.069 0.000 0.845 72 E CB -0.691 29.025 29.700 0.026 0.000 0.766 72 E HN 0.397 nan 8.360 nan 0.000 0.507 73 R N -0.383 119.996 120.500 -0.202 0.000 2.313 73 R HA 0.089 4.428 4.340 -0.001 0.000 0.199 73 R C -0.156 175.709 176.300 -0.724 0.000 0.958 73 R CA 0.278 56.080 56.100 -0.497 0.000 1.047 73 R CB 0.033 29.916 30.300 -0.695 0.000 0.955 73 R HN 0.150 nan 8.270 nan 0.000 0.481 74 Y N -0.626 119.702 120.300 0.047 0.000 2.376 74 Y HA 0.199 4.748 4.550 -0.001 0.000 0.340 74 Y C 0.678 176.606 175.900 0.046 0.000 0.965 74 Y CA -1.337 56.796 58.100 0.054 0.000 1.078 74 Y CB 1.510 40.029 38.460 0.098 0.000 1.193 74 Y HN -0.155 nan 8.280 nan 0.000 0.452 75 D N 1.257 121.740 120.400 0.137 0.000 2.240 75 D HA 0.076 4.715 4.640 -0.001 0.000 0.206 75 D C -0.252 176.078 176.300 0.051 0.000 0.963 75 D CA 1.157 55.187 54.000 0.051 0.000 0.863 75 D CB 0.814 41.598 40.800 -0.025 0.000 0.973 75 D HN 0.178 nan 8.370 nan 0.000 0.501 76 V N 0.960 120.924 119.914 0.084 0.000 2.932 76 V HA 0.277 4.396 4.120 -0.001 0.000 0.307 76 V C -0.391 175.781 176.094 0.129 0.000 1.147 76 V CA -0.883 61.454 62.300 0.062 0.000 0.951 76 V CB 3.074 34.871 31.823 -0.043 0.000 1.031 76 V HN -0.277 nan 8.190 nan 0.000 0.426 77 V N 3.909 123.917 119.914 0.158 0.000 2.459 77 V HA 0.508 4.627 4.120 -0.001 0.000 0.295 77 V C -0.998 175.231 176.094 0.226 0.000 1.029 77 V CA -0.504 61.912 62.300 0.193 0.000 0.874 77 V CB 1.783 33.745 31.823 0.231 0.000 0.985 77 V HN 0.693 nan 8.190 nan 0.000 0.438 78 F N 8.240 128.209 119.950 0.032 0.000 2.311 78 F HA 0.569 5.094 4.527 -0.002 0.000 0.371 78 F C -2.376 173.409 175.800 -0.024 0.000 1.083 78 F CA -3.437 54.559 58.000 -0.007 0.000 1.113 78 F CB 1.735 40.699 39.000 -0.061 0.000 1.349 78 F HN 0.304 nan 8.300 nan 0.000 0.470 79 P HA 0.104 nan 4.420 nan 0.000 0.274 79 P C -0.283 177.103 177.300 0.143 0.000 1.470 79 P CA -0.208 63.004 63.100 0.186 0.000 1.001 79 P CB 1.273 33.042 31.700 0.116 0.000 1.332 80 L N 5.405 126.586 121.223 -0.069 0.000 2.865 80 L HA 0.304 4.643 4.340 -0.001 0.000 0.233 80 L C -0.454 176.185 176.870 -0.386 0.000 1.320 80 L CA -0.145 54.551 54.840 -0.240 0.000 1.225 80 L CB -0.669 41.127 42.059 -0.438 0.000 1.542 80 L HN 0.243 nan 8.230 nan 0.000 0.432 81 L N 0.891 121.920 121.223 -0.324 0.000 2.329 81 L HA 0.508 4.847 4.340 -0.001 0.000 0.279 81 L C -0.398 176.251 176.870 -0.367 0.000 1.014 81 L CA -0.738 53.893 54.840 -0.348 0.000 0.814 81 L CB 1.377 43.348 42.059 -0.147 0.000 1.257 81 L HN 0.189 nan 8.230 nan 0.000 0.424 82 H N 1.562 120.641 119.070 0.015 0.000 2.472 82 H HA 0.619 5.174 4.556 -0.002 0.000 0.338 82 H C 0.525 175.861 175.328 0.013 0.000 1.133 82 H CA 0.154 56.215 56.048 0.021 0.000 1.216 82 H CB 1.886 31.661 29.762 0.022 0.000 1.497 82 H HN 0.795 nan 8.280 nan 0.000 0.500 83 G N 1.892 110.765 108.800 0.122 0.000 2.525 83 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.248 83 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.248 83 G C 0.137 175.034 174.900 -0.004 0.000 1.238 83 G CA -0.045 45.081 45.100 0.042 0.000 0.926 83 G HN 0.780 nan 8.290 nan 0.000 0.574 84 R N -0.405 120.066 120.500 -0.048 0.000 2.585 84 R HA 0.328 4.667 4.340 -0.001 0.000 0.275 84 R C 0.379 176.645 176.300 -0.056 0.000 1.018 84 R CA 0.684 56.685 56.100 -0.165 0.000 1.072 84 R CB -0.487 29.681 30.300 -0.220 0.000 0.953 84 R HN 1.178 nan 8.270 nan 0.000 0.419 85 F N 1.859 121.789 119.950 -0.034 0.000 3.074 85 F HA -0.232 4.294 4.527 -0.002 0.000 0.289 85 F C 0.874 176.640 175.800 -0.057 0.000 0.863 85 F CA 1.314 59.279 58.000 -0.059 0.000 1.121 85 F CB -1.683 37.269 39.000 -0.081 0.000 1.169 85 F HN 0.835 nan 8.300 nan 0.000 0.570 86 G N -0.854 107.996 108.800 0.082 0.000 2.920 86 G HA2 0.175 4.134 3.960 -0.001 0.000 0.215 86 G HA3 0.175 4.134 3.960 -0.001 0.000 0.215 86 G C 0.805 175.720 174.900 0.026 0.000 1.523 86 G CA 0.249 45.371 45.100 0.037 0.000 0.667 86 G HN 0.356 nan 8.290 nan 0.000 1.029 87 E N 0.950 121.163 120.200 0.021 0.000 2.538 87 E HA 0.107 4.456 4.350 -0.001 0.000 0.207 87 E C 0.475 177.073 176.600 -0.002 0.000 1.002 87 E CA 0.348 56.761 56.400 0.022 0.000 0.952 87 E CB 0.659 30.380 29.700 0.035 0.000 1.031 87 E HN 0.504 nan 8.360 nan 0.000 0.476 88 D N -0.623 119.765 120.400 -0.020 0.000 2.349 88 D HA 0.074 4.713 4.640 -0.001 0.000 0.214 88 D C 1.348 177.636 176.300 -0.020 0.000 1.063 88 D CA 0.555 54.530 54.000 -0.041 0.000 0.847 88 D CB 0.433 41.173 40.800 -0.100 0.000 0.933 88 D HN 0.146 nan 8.370 nan 0.000 0.513 89 G N -0.004 108.797 108.800 0.003 0.000 2.194 89 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.236 89 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.236 89 G C 1.277 176.194 174.900 0.028 0.000 0.987 89 G CA 0.866 45.974 45.100 0.015 0.000 0.635 89 G HN 0.552 nan 8.290 nan 0.000 0.520 90 T N -1.121 113.461 114.554 0.047 0.000 2.732 90 T HA 0.048 4.397 4.350 -0.001 0.000 0.261 90 T C 2.259 177.017 174.700 0.096 0.000 1.040 90 T CA 2.225 64.380 62.100 0.092 0.000 1.145 90 T CB -0.550 68.432 68.868 0.191 0.000 0.866 90 T HN 0.591 nan 8.240 nan 0.000 0.427 91 V N 1.969 121.938 119.914 0.092 0.000 2.515 91 V HA -0.149 3.970 4.120 -0.001 0.000 0.250 91 V C 2.907 179.007 176.094 0.009 0.000 1.058 91 V CA 1.759 64.130 62.300 0.119 0.000 1.064 91 V CB -1.013 30.874 31.823 0.107 0.000 0.675 91 V HN 0.390 nan 8.190 nan 0.000 0.461 92 Q N 0.712 120.448 119.800 -0.108 0.000 2.124 92 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 92 Q C 2.381 178.260 176.000 -0.202 0.000 0.977 92 Q CA 1.791 57.387 55.803 -0.345 0.000 0.850 92 Q CB -0.952 27.704 28.738 -0.137 0.000 0.901 92 Q HN 0.641 nan 8.270 nan 0.000 0.429 93 G N -0.404 108.385 108.800 -0.020 0.000 2.418 93 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 93 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 93 G C 1.293 176.234 174.900 0.068 0.000 1.158 93 G CA 0.507 45.630 45.100 0.037 0.000 0.771 93 G HN 0.423 nan 8.290 nan 0.000 0.545 94 F N 0.979 120.893 119.950 -0.060 0.000 2.102 94 F HA -0.020 4.506 4.527 -0.002 0.000 0.298 94 F C 2.411 178.098 175.800 -0.188 0.000 1.105 94 F CA 1.024 58.993 58.000 -0.051 0.000 1.239 94 F CB 0.008 39.060 39.000 0.087 0.000 0.991 94 F HN 0.038 nan 8.300 nan 0.000 0.474 95 L N 0.080 121.083 121.223 -0.366 0.000 2.141 95 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 95 L C 2.433 179.126 176.870 -0.296 0.000 1.094 95 L CA 0.875 55.395 54.840 -0.534 0.000 0.763 95 L CB -0.712 40.996 42.059 -0.585 0.000 0.908 95 L HN 0.162 nan 8.230 nan 0.000 0.437 96 E N 0.432 120.546 120.200 -0.144 0.000 2.072 96 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 96 E C 2.352 178.903 176.600 -0.081 0.000 0.985 96 E CA 1.108 57.508 56.400 0.001 0.000 0.801 96 E CB -0.146 29.588 29.700 0.058 0.000 0.750 96 E HN 0.509 nan 8.360 nan 0.000 0.452 97 L N 0.383 121.532 121.223 -0.124 0.000 2.201 97 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 97 L C 2.395 179.131 176.870 -0.223 0.000 1.105 97 L CA 0.543 55.307 54.840 -0.125 0.000 0.775 97 L CB -0.268 41.754 42.059 -0.061 0.000 0.913 97 L HN 0.067 nan 8.230 nan 0.000 0.440 98 L N -0.322 120.659 121.223 -0.404 0.000 2.478 98 L HA 0.070 4.410 4.340 -0.001 0.000 0.223 98 L C 1.481 178.178 176.870 -0.287 0.000 1.140 98 L CA 0.584 55.124 54.840 -0.501 0.000 0.842 98 L CB -0.487 40.992 42.059 -0.966 0.000 0.953 98 L HN 0.466 nan 8.230 nan 0.000 0.452 99 G N 0.218 108.905 108.800 -0.189 0.000 2.176 99 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.252 99 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.252 99 G C 0.025 174.886 174.900 -0.064 0.000 1.024 99 G CA -0.034 45.009 45.100 -0.095 0.000 0.755 99 G HN 0.164 nan 8.290 nan 0.000 0.507 100 K N 0.505 120.860 120.400 -0.074 0.000 2.183 100 K HA 0.484 4.803 4.320 -0.001 0.000 0.274 100 K C -2.389 174.273 176.600 0.103 0.000 1.009 100 K CA -2.245 54.045 56.287 0.005 0.000 0.888 100 K CB 1.535 34.023 32.500 -0.019 0.000 1.078 100 K HN 0.058 nan 8.250 nan 0.000 0.459 101 P HA 0.100 nan 4.420 nan 0.000 0.271 101 P C -1.105 176.244 177.300 0.083 0.000 1.218 101 P CA 0.049 63.142 63.100 -0.013 0.000 0.780 101 P CB 0.201 31.869 31.700 -0.054 0.000 0.901 102 Y N -1.430 118.830 120.300 -0.065 0.000 2.609 102 Y HA 0.601 5.150 4.550 -0.002 0.000 0.336 102 Y C -1.121 174.703 175.900 -0.126 0.000 1.129 102 Y CA -1.679 56.379 58.100 -0.069 0.000 1.040 102 Y CB 0.341 38.780 38.460 -0.036 0.000 1.310 102 Y HN -0.003 nan 8.280 nan 0.000 0.460 103 V N 3.165 123.049 119.914 -0.050 0.000 2.715 103 V HA 0.601 4.720 4.120 -0.001 0.000 0.299 103 V C 0.869 176.887 176.094 -0.126 0.000 1.054 103 V CA 0.946 63.073 62.300 -0.287 0.000 1.077 103 V CB 0.225 31.540 31.823 -0.845 0.000 0.972 103 V HN 1.502 nan 8.190 nan 0.000 0.484 104 G N 3.283 111.984 108.800 -0.166 0.000 2.660 104 G HA2 0.237 4.197 3.960 -0.001 0.000 0.247 104 G HA3 0.237 4.197 3.960 -0.001 0.000 0.247 104 G C -0.027 174.857 174.900 -0.027 0.000 1.328 104 G CA -0.300 44.766 45.100 -0.057 0.000 0.884 104 G HN 1.638 nan 8.290 nan 0.000 0.531 105 A N -0.072 122.750 122.820 0.003 0.000 2.483 105 A HA 0.670 4.989 4.320 -0.001 0.000 0.238 105 A C 1.465 179.106 177.584 0.096 0.000 1.070 105 A CA 1.526 53.554 52.037 -0.016 0.000 0.770 105 A CB 0.029 19.004 19.000 -0.043 0.000 1.008 105 A HN 2.451 nan 8.150 nan 0.000 0.497 106 G N -0.303 108.521 108.800 0.041 0.000 2.553 106 G HA2 0.366 4.325 3.960 -0.001 0.000 0.278 106 G HA3 0.366 4.325 3.960 -0.001 0.000 0.278 106 G C 1.063 176.029 174.900 0.109 0.000 1.349 106 G CA 0.141 45.322 45.100 0.135 0.000 1.037 106 G HN 0.699 nan 8.290 nan 0.000 0.508 107 V N 0.898 120.875 119.914 0.106 0.000 2.255 107 V HA -0.206 3.913 4.120 -0.001 0.000 0.247 107 V C 3.327 179.434 176.094 0.021 0.000 1.051 107 V CA 2.702 65.035 62.300 0.056 0.000 1.018 107 V CB -1.220 30.634 31.823 0.051 0.000 0.641 107 V HN 0.804 nan 8.190 nan 0.000 0.445 108 A N 0.005 122.830 122.820 0.009 0.000 1.865 108 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 108 A C 2.436 180.003 177.584 -0.028 0.000 1.191 108 A CA 2.436 54.467 52.037 -0.011 0.000 0.623 108 A CB -1.028 17.962 19.000 -0.017 0.000 0.826 108 A HN 0.603 nan 8.150 nan 0.000 0.444 109 A N -0.717 122.077 122.820 -0.044 0.000 1.902 109 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 109 A C 2.461 180.012 177.584 -0.055 0.000 1.181 109 A CA 2.177 54.170 52.037 -0.073 0.000 0.623 109 A CB -0.905 18.025 19.000 -0.117 0.000 0.818 109 A HN 0.467 nan 8.150 nan 0.000 0.443 110 S N -0.143 115.541 115.700 -0.026 0.000 2.348 110 S HA -0.055 4.414 4.470 -0.001 0.000 0.221 110 S C 2.353 176.939 174.600 -0.024 0.000 1.033 110 S CA 1.277 59.468 58.200 -0.015 0.000 1.010 110 S CB -0.548 62.660 63.200 0.013 0.000 0.891 110 S HN 0.816 nan 8.310 nan 0.000 0.442 111 A N 1.002 123.810 122.820 -0.019 0.000 1.933 111 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 111 A C 2.028 179.593 177.584 -0.032 0.000 1.175 111 A CA 1.252 53.275 52.037 -0.024 0.000 0.628 111 A CB -0.579 18.413 19.000 -0.014 0.000 0.814 111 A HN 0.367 nan 8.150 nan 0.000 0.444 112 L N -0.901 120.300 121.223 -0.036 0.000 2.072 112 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 112 L C 2.598 179.431 176.870 -0.062 0.000 1.079 112 L CA 1.455 56.268 54.840 -0.045 0.000 0.752 112 L CB -1.032 40.999 42.059 -0.047 0.000 0.906 112 L HN 0.472 nan 8.230 nan 0.000 0.436 113 C N -1.218 118.042 119.300 -0.067 0.000 2.432 113 C HA -0.124 4.335 4.460 -0.001 0.000 0.280 113 C C 2.814 177.759 174.990 -0.075 0.000 1.353 113 C CA 0.476 59.446 59.018 -0.079 0.000 1.766 113 C CB -0.606 27.090 27.740 -0.073 0.000 1.924 113 C HN 0.563 nan 8.230 nan 0.000 0.509 114 M N 0.933 120.497 119.600 -0.059 0.000 2.200 114 M HA 0.041 4.520 4.480 -0.001 0.000 0.265 114 M C 0.732 176.995 176.300 -0.061 0.000 1.066 114 M CA 1.432 56.698 55.300 -0.057 0.000 1.127 114 M CB -0.414 32.156 32.600 -0.050 0.000 1.379 114 M HN 0.151 nan 8.290 nan 0.000 0.420 115 D N 0.898 121.264 120.400 -0.057 0.000 2.338 115 D HA 0.020 4.659 4.640 -0.001 0.000 0.255 115 D C 0.215 176.467 176.300 -0.080 0.000 1.237 115 D CA 0.229 54.200 54.000 -0.048 0.000 0.883 115 D CB 0.655 41.439 40.800 -0.027 0.000 1.087 115 D HN 0.336 nan 8.370 nan 0.000 0.485 116 K N 2.596 122.945 120.400 -0.086 0.000 2.504 116 K HA -0.109 4.210 4.320 -0.001 0.000 0.195 116 K C 0.905 177.370 176.600 -0.226 0.000 1.036 116 K CA 0.553 56.751 56.287 -0.150 0.000 0.984 116 K CB 0.439 32.872 32.500 -0.111 0.000 0.788 116 K HN 0.397 nan 8.250 nan 0.000 0.488 117 D N 0.616 120.956 120.400 -0.101 0.000 2.468 117 D HA -0.018 4.621 4.640 -0.001 0.000 0.243 117 D C 1.727 178.027 176.300 0.000 0.000 0.994 117 D CA 0.466 54.465 54.000 -0.001 0.000 0.932 117 D CB 0.030 40.951 40.800 0.200 0.000 1.078 117 D HN -0.043 nan 8.370 nan 0.000 0.473 118 L N 0.846 122.082 121.223 0.021 0.000 2.083 118 L HA -0.113 4.226 4.340 -0.001 0.000 0.209 118 L C 2.637 179.484 176.870 -0.039 0.000 1.083 118 L CA 1.440 56.296 54.840 0.026 0.000 0.752 118 L CB -0.746 41.325 42.059 0.020 0.000 0.899 118 L HN 0.196 nan 8.230 nan 0.000 0.433 119 S N -0.262 115.376 115.700 -0.104 0.000 2.382 119 S HA -0.204 4.265 4.470 -0.001 0.000 0.228 119 S C 1.931 176.417 174.600 -0.191 0.000 1.027 119 S CA 0.931 59.051 58.200 -0.133 0.000 0.991 119 S CB -0.276 62.832 63.200 -0.154 0.000 0.823 119 S HN 0.383 nan 8.310 nan 0.000 0.469 120 K N 1.109 121.301 120.400 -0.347 0.000 2.097 120 K HA 0.042 4.361 4.320 -0.001 0.000 0.205 120 K C 2.620 179.080 176.600 -0.235 0.000 1.050 120 K CA 1.162 57.115 56.287 -0.557 0.000 0.938 120 K CB -0.171 31.438 32.500 -1.485 0.000 0.718 120 K HN 0.406 nan 8.250 nan 0.000 0.442 121 R N 0.481 120.991 120.500 0.016 0.000 2.081 121 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 121 R C 2.328 178.700 176.300 0.120 0.000 1.131 121 R CA 1.231 57.483 56.100 0.254 0.000 0.960 121 R CB -0.570 29.888 30.300 0.263 0.000 0.856 121 R HN -0.008 nan 8.270 nan 0.000 0.436 122 V N 1.748 121.687 119.914 0.041 0.000 2.261 122 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 122 V C 2.378 178.481 176.094 0.014 0.000 1.047 122 V CA 1.700 64.012 62.300 0.020 0.000 1.015 122 V CB -0.459 31.357 31.823 -0.011 0.000 0.642 122 V HN 0.258 nan 8.190 nan 0.000 0.446 123 L N 0.098 121.311 121.223 -0.017 0.000 2.017 123 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 123 L C 2.776 179.664 176.870 0.030 0.000 1.073 123 L CA 1.660 56.492 54.840 -0.014 0.000 0.745 123 L CB -0.925 41.096 42.059 -0.063 0.000 0.894 123 L HN 0.369 nan 8.230 nan 0.000 0.432 124 A N -0.628 122.231 122.820 0.065 0.000 1.908 124 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 124 A C 2.307 179.953 177.584 0.103 0.000 1.181 124 A CA 1.806 53.919 52.037 0.127 0.000 0.627 124 A CB -0.605 18.549 19.000 0.257 0.000 0.818 124 A HN 0.448 nan 8.150 nan 0.000 0.445 125 Q N -0.141 119.715 119.800 0.094 0.000 2.167 125 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 125 Q C 1.934 177.966 176.000 0.053 0.000 0.970 125 Q CA 1.621 57.467 55.803 0.072 0.000 0.855 125 Q CB -0.378 28.399 28.738 0.065 0.000 0.911 125 Q HN 0.569 nan 8.270 nan 0.000 0.438 126 A N -0.619 122.228 122.820 0.045 0.000 2.238 126 A HA 0.289 4.608 4.320 -0.001 0.000 0.208 126 A C 1.360 178.967 177.584 0.039 0.000 1.177 126 A CA 0.992 53.050 52.037 0.035 0.000 0.804 126 A CB -0.374 18.641 19.000 0.025 0.000 0.823 126 A HN 0.543 nan 8.150 nan 0.000 0.482 127 G N -1.494 107.335 108.800 0.047 0.000 2.137 127 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.237 127 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.237 127 G C 0.032 174.958 174.900 0.044 0.000 1.002 127 G CA 0.125 45.252 45.100 0.046 0.000 0.702 127 G HN 0.767 nan 8.290 nan 0.000 0.515 128 V N 2.715 122.656 119.914 0.046 0.000 2.407 128 V HA 0.481 4.600 4.120 -0.001 0.000 0.278 128 V C -1.147 174.978 176.094 0.052 0.000 1.037 128 V CA -1.463 60.866 62.300 0.048 0.000 0.900 128 V CB 1.603 33.448 31.823 0.037 0.000 0.983 128 V HN 0.273 nan 8.190 nan 0.000 0.459 129 P HA 0.238 nan 4.420 nan 0.000 0.271 129 P C -0.787 176.582 177.300 0.116 0.000 1.220 129 P CA 0.237 63.370 63.100 0.055 0.000 0.768 129 P CB 1.316 32.976 31.700 -0.067 0.000 0.848 130 V N 1.559 121.589 119.914 0.194 0.000 3.078 130 V HA 0.584 4.704 4.120 -0.001 0.000 0.311 130 V C 0.296 176.588 176.094 0.330 0.000 1.138 130 V CA -1.322 61.087 62.300 0.181 0.000 1.007 130 V CB 1.471 33.264 31.823 -0.050 0.000 1.045 130 V HN 0.446 nan 8.190 nan 0.000 0.432 131 V N -1.099 118.939 119.914 0.207 0.000 2.924 131 V HA 0.528 4.647 4.120 -0.001 0.000 0.305 131 V C -2.229 173.963 176.094 0.164 0.000 1.073 131 V CA -1.436 60.899 62.300 0.059 0.000 1.098 131 V CB -0.020 31.739 31.823 -0.107 0.000 1.000 131 V HN 0.889 nan 8.190 nan 0.000 0.484 132 P HA 0.263 nan 4.420 nan 0.000 0.265 132 P C -0.921 176.428 177.300 0.081 0.000 1.193 132 P CA 0.483 63.566 63.100 -0.029 0.000 0.765 132 P CB 0.154 31.570 31.700 -0.473 0.000 0.823 133 W N 1.942 123.270 121.300 0.047 0.000 3.025 133 W HA 0.695 5.354 4.660 -0.003 0.000 0.343 133 W C -2.492 174.186 176.519 0.264 0.000 1.246 133 W CA -0.883 56.587 57.345 0.208 0.000 1.178 133 W CB 0.782 30.303 29.460 0.101 0.000 1.463 133 W HN 0.092 nan 8.180 nan 0.000 0.578 134 V N 2.308 122.242 119.914 0.033 0.000 2.760 134 V HA 0.771 4.890 4.120 -0.001 0.000 0.309 134 V C -0.207 175.908 176.094 0.034 0.000 1.077 134 V CA -0.721 61.464 62.300 -0.193 0.000 0.910 134 V CB 1.339 33.081 31.823 -0.135 0.000 1.008 134 V HN 0.960 nan 8.190 nan 0.000 0.424 135 A N 4.050 126.878 122.820 0.013 0.000 2.309 135 A HA 0.840 5.159 4.320 -0.001 0.000 0.298 135 A C -0.698 176.947 177.584 0.102 0.000 1.165 135 A CA -0.394 51.739 52.037 0.160 0.000 0.821 135 A CB 1.024 20.138 19.000 0.190 0.000 1.102 135 A HN 0.783 nan 8.150 nan 0.000 0.500 136 V N 3.341 123.345 119.914 0.151 0.000 2.588 136 V HA 0.463 4.582 4.120 -0.001 0.000 0.304 136 V C -0.037 176.252 176.094 0.325 0.000 1.042 136 V CA -0.683 61.738 62.300 0.201 0.000 0.877 136 V CB 1.665 33.621 31.823 0.221 0.000 0.996 136 V HN 0.992 nan 8.190 nan 0.000 0.425 137 R N 2.228 122.850 120.500 0.204 0.000 2.474 137 R HA 0.475 4.815 4.340 -0.001 0.000 0.295 137 R C -0.206 175.989 176.300 -0.175 0.000 0.980 137 R CA -0.902 55.256 56.100 0.097 0.000 0.934 137 R CB 1.681 31.997 30.300 0.027 0.000 1.101 137 R HN 0.611 nan 8.270 nan 0.000 0.469 138 K N 1.010 121.098 120.400 -0.521 0.000 2.491 138 K HA -0.040 4.279 4.320 -0.001 0.000 0.279 138 K C 0.717 177.025 176.600 -0.487 0.000 1.026 138 K CA 1.452 57.116 56.287 -1.037 0.000 1.070 138 K CB 0.171 32.214 32.500 -0.762 0.000 0.887 138 K HN 0.829 nan 8.250 nan 0.000 0.481 139 G N 2.965 111.506 108.800 -0.432 0.000 2.217 139 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.246 139 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.246 139 G C -0.091 174.734 174.900 -0.126 0.000 0.990 139 G CA 0.362 45.336 45.100 -0.210 0.000 0.627 139 G HN 0.653 nan 8.290 nan 0.000 0.522 140 E N 2.121 122.253 120.200 -0.114 0.000 2.102 140 E HA 0.474 4.824 4.350 -0.001 0.000 0.263 140 E C -2.207 174.392 176.600 -0.002 0.000 0.894 140 E CA -2.268 54.105 56.400 -0.045 0.000 0.746 140 E CB 1.431 31.112 29.700 -0.032 0.000 1.129 140 E HN 0.219 nan 8.360 nan 0.000 0.416 141 P HA 0.041 nan 4.420 nan 0.000 0.262 141 P C -2.421 174.890 177.300 0.018 0.000 1.182 141 P CA -0.754 62.359 63.100 0.021 0.000 0.761 141 P CB 0.226 31.927 31.700 0.002 0.000 0.795 142 P HA 0.201 nan 4.420 nan 0.000 0.279 142 P C -0.886 176.394 177.300 -0.032 0.000 1.252 142 P CA -0.423 62.678 63.100 0.002 0.000 0.811 142 P CB 1.048 32.751 31.700 0.006 0.000 1.035 143 V N 2.412 122.289 119.914 -0.062 0.000 2.325 143 V HA 0.124 4.243 4.120 -0.001 0.000 0.280 143 V C 0.147 176.165 176.094 -0.127 0.000 1.016 143 V CA -0.673 61.578 62.300 -0.082 0.000 0.818 143 V CB 1.600 33.380 31.823 -0.071 0.000 1.019 143 V HN 0.264 nan 8.190 nan 0.000 0.434 144 V N 7.929 127.757 119.914 -0.144 0.000 2.385 144 V HA 0.276 4.396 4.120 -0.001 0.000 0.269 144 V C -0.636 175.314 176.094 -0.240 0.000 1.043 144 V CA -0.946 61.150 62.300 -0.340 0.000 0.906 144 V CB 1.532 33.053 31.823 -0.504 0.000 0.995 144 V HN 0.741 nan 8.190 nan 0.000 0.467 145 P HA 0.057 nan 4.420 nan 0.000 0.245 145 P C -0.088 177.282 177.300 0.115 0.000 1.212 145 P CA 0.504 63.588 63.100 -0.027 0.000 0.774 145 P CB 0.077 31.804 31.700 0.044 0.000 0.999 146 F N -1.282 118.784 119.950 0.194 0.000 2.598 146 F HA 0.656 5.182 4.527 -0.002 0.000 0.327 146 F C -0.164 175.861 175.800 0.374 0.000 1.057 146 F CA -1.725 56.412 58.000 0.229 0.000 0.957 146 F CB 0.415 39.527 39.000 0.188 0.000 1.278 146 F HN -0.382 nan 8.300 nan 0.000 0.484 147 D N 0.961 121.638 120.400 0.462 0.000 2.340 147 D HA 0.358 4.997 4.640 -0.001 0.000 0.251 147 D C -2.449 173.764 176.300 -0.145 0.000 1.080 147 D CA -1.079 53.054 54.000 0.222 0.000 0.971 147 D CB 1.211 42.093 40.800 0.136 0.000 1.137 147 D HN 0.237 nan 8.370 nan 0.000 0.475 148 P HA 0.132 nan 4.420 nan 0.000 0.272 148 P C -2.299 174.663 177.300 -0.563 0.000 1.254 148 P CA -0.708 61.521 63.100 -1.450 0.000 0.795 148 P CB -0.291 30.665 31.700 -1.240 0.000 1.022 149 P HA 0.217 nan 4.420 nan 0.000 0.274 149 P C -1.181 175.866 177.300 -0.422 0.000 1.237 149 P CA 0.411 63.205 63.100 -0.510 0.000 0.793 149 P CB 0.396 31.933 31.700 -0.272 0.000 0.977 150 F N -0.098 119.785 119.950 -0.111 0.000 2.631 150 F HA 0.540 5.067 4.527 0.000 0.000 0.328 150 F C -0.130 175.610 175.800 -0.102 0.000 1.067 150 F CA -0.949 57.044 58.000 -0.011 0.000 0.969 150 F CB 0.991 39.976 39.000 -0.025 0.000 1.332 150 F HN 0.091 nan 8.300 nan 0.000 0.490 151 F N 1.176 121.257 119.950 0.217 0.000 2.499 151 F HA 0.616 5.141 4.527 -0.002 0.000 0.333 151 F C -0.655 175.199 175.800 0.090 0.000 1.138 151 F CA -0.903 57.155 58.000 0.096 0.000 0.945 151 F CB 1.590 40.617 39.000 0.045 0.000 1.181 151 F HN 0.036 nan 8.300 nan 0.000 0.435 152 V N 5.046 125.059 119.914 0.165 0.000 2.427 152 V HA 0.545 4.664 4.120 -0.001 0.000 0.286 152 V C -0.523 175.621 176.094 0.083 0.000 1.034 152 V CA -0.803 61.545 62.300 0.080 0.000 0.893 152 V CB 1.646 33.468 31.823 -0.003 0.000 0.982 152 V HN 0.639 nan 8.190 nan 0.000 0.452 153 K N 4.658 125.085 120.400 0.045 0.000 2.532 153 K HA 0.551 4.870 4.320 -0.001 0.000 0.265 153 K C -3.080 173.514 176.600 -0.011 0.000 0.948 153 K CA -1.949 54.359 56.287 0.035 0.000 0.842 153 K CB 2.341 34.876 32.500 0.058 0.000 1.392 153 K HN 0.278 nan 8.250 nan 0.000 0.436 154 P HA 0.026 nan 4.420 nan 0.000 0.272 154 P C -0.160 177.148 177.300 0.013 0.000 1.223 154 P CA -0.053 63.054 63.100 0.012 0.000 0.784 154 P CB 0.882 32.622 31.700 0.067 0.000 0.923 155 A N 2.772 125.611 122.820 0.031 0.000 1.968 155 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 155 A C 1.273 178.856 177.584 -0.001 0.000 1.169 155 A CA 1.467 53.519 52.037 0.025 0.000 0.638 155 A CB -0.538 18.495 19.000 0.055 0.000 0.812 155 A HN 0.553 nan 8.150 nan 0.000 0.446 156 N N -1.717 116.983 118.700 0.001 0.000 2.240 156 N HA 0.057 4.796 4.740 -0.001 0.000 0.240 156 N C 0.449 175.930 175.510 -0.048 0.000 1.277 156 N CA 0.417 53.449 53.050 -0.029 0.000 0.873 156 N CB 0.737 39.204 38.487 -0.033 0.000 1.222 156 N HN 0.290 nan 8.380 nan 0.000 0.507 157 T N -0.232 114.303 114.554 -0.032 0.000 2.896 157 T HA 0.114 4.463 4.350 -0.001 0.000 0.263 157 T C 1.078 175.726 174.700 -0.086 0.000 1.050 157 T CA 1.097 63.162 62.100 -0.057 0.000 1.140 157 T CB -0.043 68.793 68.868 -0.053 0.000 0.877 157 T HN 0.514 nan 8.240 nan 0.000 0.457 158 G N 0.860 109.616 108.800 -0.073 0.000 2.804 158 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.230 158 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.230 158 G C 0.329 175.183 174.900 -0.077 0.000 1.386 158 G CA -0.264 44.797 45.100 -0.064 0.000 0.875 158 G HN 0.768 nan 8.290 nan 0.000 0.557 159 S N -1.711 113.958 115.700 -0.051 0.000 3.587 159 S HA -0.189 4.280 4.470 -0.001 0.000 0.337 159 S C 1.555 176.114 174.600 -0.068 0.000 1.119 159 S CA 1.827 59.997 58.200 -0.050 0.000 0.976 159 S CB -1.538 61.633 63.200 -0.049 0.000 0.922 159 S HN 2.462 nan 8.310 nan 0.000 0.503 160 S N -2.291 113.375 115.700 -0.057 0.000 3.119 160 S HA -0.237 4.232 4.470 -0.001 0.000 0.298 160 S C 0.549 175.101 174.600 -0.080 0.000 1.294 160 S CA 1.085 59.259 58.200 -0.044 0.000 1.091 160 S CB -1.152 62.037 63.200 -0.019 0.000 1.271 160 S HN 0.807 nan 8.310 nan 0.000 0.693 161 V N 0.905 120.719 119.914 -0.166 0.000 2.572 161 V HA 0.452 4.571 4.120 -0.001 0.000 0.291 161 V C 1.678 177.592 176.094 -0.300 0.000 1.039 161 V CA 0.968 63.078 62.300 -0.317 0.000 1.055 161 V CB 0.528 32.006 31.823 -0.575 0.000 0.969 161 V HN 0.991 nan 8.190 nan 0.000 0.482 162 G N 4.511 113.218 108.800 -0.155 0.000 2.162 162 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.260 162 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.260 162 G C 0.046 174.987 174.900 0.069 0.000 0.976 162 G CA 0.163 45.324 45.100 0.101 0.000 0.655 162 G HN 0.612 nan 8.290 nan 0.000 0.533 163 I N 1.653 122.249 120.570 0.042 0.000 2.342 163 I HA 0.457 4.626 4.170 -0.001 0.000 0.291 163 I C 0.259 176.424 176.117 0.079 0.000 1.010 163 I CA -0.185 61.167 61.300 0.087 0.000 1.308 163 I CB 1.532 39.607 38.000 0.125 0.000 1.400 163 I HN 0.083 nan 8.210 nan 0.000 0.488 164 S N 5.829 121.557 115.700 0.046 0.000 2.542 164 S HA 0.518 4.987 4.470 -0.001 0.000 0.293 164 S C -0.482 173.971 174.600 -0.244 0.000 1.089 164 S CA -0.815 57.351 58.200 -0.056 0.000 0.961 164 S CB 2.254 65.426 63.200 -0.046 0.000 1.062 164 S HN 0.549 nan 8.310 nan 0.000 0.483 165 R N 1.913 122.161 120.500 -0.421 0.000 2.229 165 R HA 0.583 4.923 4.340 -0.001 0.000 0.332 165 R C -1.506 174.569 176.300 -0.375 0.000 0.989 165 R CA -0.292 55.354 56.100 -0.757 0.000 0.842 165 R CB 0.442 30.235 30.300 -0.845 0.000 1.119 165 R HN 0.459 nan 8.270 nan 0.000 0.456 166 V N 4.970 124.713 119.914 -0.284 0.000 2.435 166 V HA 0.194 4.314 4.120 -0.001 0.000 0.290 166 V C 0.379 176.318 176.094 -0.260 0.000 1.030 166 V CA -0.352 61.846 62.300 -0.170 0.000 0.881 166 V CB 1.679 33.496 31.823 -0.011 0.000 0.983 166 V HN 0.923 nan 8.190 nan 0.000 0.445 167 E N 3.154 123.218 120.200 -0.227 0.000 2.447 167 E HA 0.239 4.588 4.350 -0.001 0.000 0.204 167 E C 0.104 176.556 176.600 -0.247 0.000 0.977 167 E CA 0.037 56.285 56.400 -0.254 0.000 0.950 167 E CB 0.727 30.322 29.700 -0.175 0.000 0.975 167 E HN 0.553 nan 8.360 nan 0.000 0.496 168 R N -0.277 120.116 120.500 -0.179 0.000 2.628 168 R HA 0.286 4.625 4.340 -0.001 0.000 0.288 168 R C -0.241 176.047 176.300 -0.020 0.000 0.980 168 R CA -0.573 55.470 56.100 -0.095 0.000 0.891 168 R CB 0.966 31.252 30.300 -0.024 0.000 1.188 168 R HN -0.072 nan 8.270 nan 0.000 0.450 169 F N 2.078 122.034 119.950 0.012 0.000 2.250 169 F HA -0.205 4.320 4.527 -0.002 0.000 0.301 169 F C 2.501 178.338 175.800 0.062 0.000 1.077 169 F CA 1.823 59.881 58.000 0.096 0.000 1.348 169 F CB 0.076 39.123 39.000 0.080 0.000 1.040 169 F HN 0.590 nan 8.300 nan 0.000 0.509 170 Q N -0.972 118.958 119.800 0.217 0.000 2.369 170 Q HA -0.131 4.208 4.340 -0.001 0.000 0.206 170 Q C 0.677 176.732 176.000 0.092 0.000 0.963 170 Q CA 1.524 57.403 55.803 0.128 0.000 0.894 170 Q CB -0.305 28.480 28.738 0.078 0.000 0.965 170 Q HN 0.304 nan 8.270 nan 0.000 0.475 171 D N 0.332 120.780 120.400 0.080 0.000 2.349 171 D HA 0.021 4.661 4.640 -0.001 0.000 0.214 171 D C 1.541 177.878 176.300 0.061 0.000 1.063 171 D CA -0.028 54.000 54.000 0.046 0.000 0.847 171 D CB 0.412 41.216 40.800 0.006 0.000 0.933 171 D HN 0.189 nan 8.370 nan 0.000 0.513 172 L N 1.617 122.907 121.223 0.112 0.000 2.017 172 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 172 L C 2.187 179.105 176.870 0.080 0.000 1.073 172 L CA 1.802 56.710 54.840 0.113 0.000 0.745 172 L CB -0.372 41.802 42.059 0.191 0.000 0.894 172 L HN -0.074 nan 8.230 nan 0.000 0.432 173 E N -0.654 119.601 120.200 0.093 0.000 2.070 173 E HA -0.292 4.058 4.350 -0.001 0.000 0.197 173 E C 2.028 178.670 176.600 0.069 0.000 1.004 173 E CA 1.404 57.854 56.400 0.083 0.000 0.805 173 E CB -0.170 29.574 29.700 0.074 0.000 0.744 173 E HN 0.623 nan 8.360 nan 0.000 0.451 174 A N 1.129 123.979 122.820 0.051 0.000 1.873 174 A HA -0.049 4.270 4.320 -0.001 0.000 0.215 174 A C 2.425 180.023 177.584 0.024 0.000 1.186 174 A CA 1.760 53.819 52.037 0.037 0.000 0.616 174 A CB -0.825 18.191 19.000 0.026 0.000 0.823 174 A HN 0.421 nan 8.150 nan 0.000 0.442 175 A N -0.203 122.625 122.820 0.014 0.000 1.908 175 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 175 A C 2.196 179.752 177.584 -0.047 0.000 1.181 175 A CA 1.642 53.674 52.037 -0.009 0.000 0.627 175 A CB -0.648 18.346 19.000 -0.009 0.000 0.818 175 A HN 0.483 nan 8.150 nan 0.000 0.445 176 L N -1.015 120.175 121.223 -0.056 0.000 2.056 176 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 176 L C 3.134 179.945 176.870 -0.099 0.000 1.078 176 L CA 0.994 55.722 54.840 -0.186 0.000 0.749 176 L CB -0.579 41.456 42.059 -0.040 0.000 0.901 176 L HN 0.455 nan 8.230 nan 0.000 0.433 177 A N 0.042 122.917 122.820 0.092 0.000 1.908 177 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 177 A C 2.200 179.824 177.584 0.067 0.000 1.181 177 A CA 1.904 54.032 52.037 0.153 0.000 0.627 177 A CB -0.697 18.360 19.000 0.094 0.000 0.818 177 A HN 0.347 nan 8.150 nan 0.000 0.445 178 L N -0.324 120.909 121.223 0.016 0.000 2.017 178 L HA -0.025 4.314 4.340 -0.001 0.000 0.208 178 L C 2.661 179.548 176.870 0.028 0.000 1.073 178 L CA 2.303 57.152 54.840 0.014 0.000 0.745 178 L CB -0.882 41.207 42.059 0.050 0.000 0.894 178 L HN 0.325 nan 8.230 nan 0.000 0.432 179 A N -0.923 121.883 122.820 -0.025 0.000 1.933 179 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 179 A C 1.973 179.548 177.584 -0.016 0.000 1.175 179 A CA 1.782 53.803 52.037 -0.028 0.000 0.628 179 A CB -1.098 17.760 19.000 -0.237 0.000 0.814 179 A HN 0.479 nan 8.150 nan 0.000 0.444 180 F N 0.492 120.458 119.950 0.027 0.000 2.641 180 F HA -0.027 4.501 4.527 0.002 0.000 0.298 180 F C 2.293 178.046 175.800 -0.078 0.000 1.146 180 F CA 0.959 58.956 58.000 -0.007 0.000 1.464 180 F CB -0.231 38.763 39.000 -0.011 0.000 1.101 180 F HN 0.415 nan 8.300 nan 0.000 0.585 181 R N -1.436 119.030 120.500 -0.056 0.000 2.310 181 R HA -0.010 4.329 4.340 -0.001 0.000 0.202 181 R C 0.477 176.519 176.300 -0.430 0.000 0.933 181 R CA 1.026 56.952 56.100 -0.291 0.000 1.054 181 R CB -0.623 29.388 30.300 -0.481 0.000 0.985 181 R HN 0.307 nan 8.270 nan 0.000 0.489 182 Y N -0.815 119.529 120.300 0.074 0.000 2.423 182 Y HA 0.353 4.902 4.550 -0.002 0.000 0.257 182 Y C -0.016 175.912 175.900 0.047 0.000 1.087 182 Y CA -0.809 57.317 58.100 0.044 0.000 1.258 182 Y CB 1.072 39.544 38.460 0.020 0.000 1.237 182 Y HN 0.065 nan 8.280 nan 0.000 0.517 183 D N -0.748 119.780 120.400 0.213 0.000 2.654 183 D HA 0.121 4.760 4.640 -0.001 0.000 0.231 183 D C -0.009 176.440 176.300 0.248 0.000 1.239 183 D CA -0.168 53.938 54.000 0.176 0.000 0.790 183 D CB 1.717 42.603 40.800 0.144 0.000 1.480 183 D HN -0.126 nan 8.370 nan 0.000 0.442 184 E N 0.766 121.072 120.200 0.177 0.000 2.481 184 E HA 0.032 4.381 4.350 -0.001 0.000 0.195 184 E C 0.138 176.888 176.600 0.249 0.000 1.047 184 E CA 0.539 57.030 56.400 0.151 0.000 0.867 184 E CB 0.474 30.206 29.700 0.054 0.000 0.858 184 E HN 0.248 nan 8.360 nan 0.000 0.513 185 K N 0.078 120.654 120.400 0.294 0.000 2.464 185 K HA 0.599 4.918 4.320 -0.001 0.000 0.253 185 K C -1.515 175.216 176.600 0.218 0.000 0.933 185 K CA -0.526 55.944 56.287 0.306 0.000 0.801 185 K CB 2.098 34.701 32.500 0.172 0.000 1.271 185 K HN -0.057 nan 8.250 nan 0.000 0.430 186 A N 1.914 124.831 122.820 0.161 0.000 2.485 186 A HA 0.768 5.088 4.320 -0.001 0.000 0.292 186 A C -1.187 176.427 177.584 0.049 0.000 1.147 186 A CA -0.669 51.344 52.037 -0.040 0.000 0.750 186 A CB 1.507 20.248 19.000 -0.432 0.000 1.331 186 A HN 0.570 nan 8.150 nan 0.000 0.419 187 V N -1.821 118.123 119.914 0.051 0.000 2.823 187 V HA 0.850 4.970 4.120 -0.001 0.000 0.312 187 V C -0.904 175.257 176.094 0.112 0.000 1.072 187 V CA -0.742 61.652 62.300 0.157 0.000 0.937 187 V CB 1.417 33.370 31.823 0.217 0.000 1.013 187 V HN 0.739 nan 8.190 nan 0.000 0.430 188 V N 3.602 123.598 119.914 0.137 0.000 2.326 188 V HA 0.500 4.619 4.120 -0.001 0.000 0.281 188 V C 0.009 176.268 176.094 0.275 0.000 1.015 188 V CA -0.224 62.108 62.300 0.054 0.000 0.823 188 V CB 0.914 32.601 31.823 -0.227 0.000 1.009 188 V HN 1.043 nan 8.190 nan 0.000 0.436 189 E N 3.038 123.429 120.200 0.318 0.000 2.214 189 E HA 0.388 4.737 4.350 -0.001 0.000 0.274 189 E C -0.426 176.398 176.600 0.374 0.000 0.977 189 E CA -0.924 55.682 56.400 0.344 0.000 0.827 189 E CB 2.217 32.059 29.700 0.235 0.000 1.130 189 E HN 0.488 nan 8.360 nan 0.000 0.394 190 K N 1.507 121.947 120.400 0.067 0.000 2.379 190 K HA 0.234 4.553 4.320 -0.001 0.000 0.284 190 K C -0.820 175.813 176.600 0.055 0.000 1.044 190 K CA -0.241 56.050 56.287 0.006 0.000 0.974 190 K CB 0.576 32.780 32.500 -0.493 0.000 0.962 190 K HN 0.533 nan 8.250 nan 0.000 0.474 191 A N 5.916 128.827 122.820 0.152 0.000 2.362 191 A HA 0.291 4.610 4.320 -0.001 0.000 0.276 191 A C -0.250 177.308 177.584 -0.043 0.000 1.153 191 A CA -0.597 51.533 52.037 0.154 0.000 0.813 191 A CB 0.112 19.252 19.000 0.234 0.000 1.081 191 A HN 0.785 nan 8.150 nan 0.000 0.507 192 L N 2.488 123.599 121.223 -0.186 0.000 2.276 192 L HA 0.569 4.908 4.340 -0.001 0.000 0.286 192 L C 0.515 177.295 176.870 -0.150 0.000 1.061 192 L CA -0.104 54.599 54.840 -0.229 0.000 0.807 192 L CB 1.344 43.172 42.059 -0.385 0.000 1.177 192 L HN 0.687 nan 8.230 nan 0.000 0.429 193 S N 3.907 119.555 115.700 -0.087 0.000 2.605 193 S HA 0.533 5.002 4.470 -0.001 0.000 0.279 193 S C -2.394 172.187 174.600 -0.032 0.000 1.166 193 S CA -0.981 57.188 58.200 -0.052 0.000 0.975 193 S CB 1.299 64.478 63.200 -0.036 0.000 1.111 193 S HN 0.583 nan 8.310 nan 0.000 0.465 194 P HA 0.624 nan 4.420 nan 0.000 0.274 194 P C -1.089 176.200 177.300 -0.019 0.000 1.246 194 P CA -0.549 62.544 63.100 -0.013 0.000 0.795 194 P CB 1.034 32.736 31.700 0.004 0.000 1.006 195 V N 0.385 120.288 119.914 -0.017 0.000 3.048 195 V HA 0.462 4.581 4.120 -0.001 0.000 0.303 195 V C -1.105 175.016 176.094 0.045 0.000 1.214 195 V CA -0.882 61.412 62.300 -0.011 0.000 0.984 195 V CB 2.515 34.250 31.823 -0.146 0.000 1.054 195 V HN 0.632 nan 8.190 nan 0.000 0.430 196 R N 3.242 123.801 120.500 0.099 0.000 2.664 196 R HA 0.670 5.010 4.340 -0.001 0.000 0.286 196 R C -1.054 175.364 176.300 0.198 0.000 0.967 196 R CA -0.708 55.464 56.100 0.119 0.000 0.933 196 R CB 1.993 32.346 30.300 0.088 0.000 1.146 196 R HN 0.714 nan 8.270 nan 0.000 0.468 197 E N 3.123 123.432 120.200 0.182 0.000 2.145 197 E HA 0.328 4.677 4.350 -0.001 0.000 0.270 197 E C -0.769 175.903 176.600 0.120 0.000 0.906 197 E CA -0.453 56.077 56.400 0.217 0.000 0.761 197 E CB 1.795 31.629 29.700 0.225 0.000 1.116 197 E HN 0.233 nan 8.360 nan 0.000 0.408 198 L N 2.164 123.465 121.223 0.130 0.000 2.333 198 L HA 0.535 4.874 4.340 -0.001 0.000 0.269 198 L C -0.036 176.903 176.870 0.115 0.000 1.010 198 L CA -0.754 54.136 54.840 0.084 0.000 0.818 198 L CB 1.664 43.752 42.059 0.049 0.000 1.306 198 L HN 0.448 nan 8.230 nan 0.000 0.430 199 E N 1.197 121.438 120.200 0.068 0.000 2.314 199 E HA 0.651 5.000 4.350 -0.001 0.000 0.272 199 E C -1.608 175.019 176.600 0.045 0.000 0.884 199 E CA -0.651 55.798 56.400 0.082 0.000 0.753 199 E CB 3.613 33.335 29.700 0.037 0.000 1.213 199 E HN 0.237 nan 8.360 nan 0.000 0.432 200 V N 0.943 120.907 119.914 0.083 0.000 2.971 200 V HA 0.788 4.907 4.120 -0.001 0.000 0.309 200 V C -0.737 175.377 176.094 0.032 0.000 1.130 200 V CA -0.330 61.969 62.300 -0.002 0.000 0.964 200 V CB 2.063 33.889 31.823 0.004 0.000 1.029 200 V HN 0.741 nan 8.190 nan 0.000 0.427 201 G N 3.640 112.369 108.800 -0.118 0.000 2.389 201 G HA2 0.644 4.604 3.960 -0.001 0.000 0.328 201 G HA3 0.644 4.604 3.960 -0.001 0.000 0.328 201 G C -1.316 173.670 174.900 0.144 0.000 1.133 201 G CA -0.525 44.615 45.100 0.067 0.000 0.891 201 G HN 0.945 nan 8.290 nan 0.000 0.485 202 V N 1.583 121.756 119.914 0.432 0.000 2.735 202 V HA 0.629 4.748 4.120 -0.001 0.000 0.310 202 V C -0.804 175.449 176.094 0.265 0.000 1.061 202 V CA -0.783 61.608 62.300 0.151 0.000 0.913 202 V CB 1.710 33.267 31.823 -0.443 0.000 1.005 202 V HN 0.718 nan 8.190 nan 0.000 0.428 203 L N 3.332 124.627 121.223 0.119 0.000 2.408 203 L HA 1.057 5.396 4.340 -0.001 0.000 0.268 203 L C -0.085 176.788 176.870 0.005 0.000 0.986 203 L CA 0.828 55.675 54.840 0.010 0.000 0.820 203 L CB 1.760 43.621 42.059 -0.329 0.000 1.303 203 L HN 1.115 nan 8.230 nan 0.000 0.411 204 G N 2.662 111.517 108.800 0.092 0.000 2.357 204 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.643 204 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.643 204 G C -1.747 173.299 174.900 0.244 0.000 1.358 204 G CA -1.014 44.165 45.100 0.132 0.000 0.986 204 G HN 0.659 nan 8.290 nan 0.000 0.620 205 N N 0.844 119.655 118.700 0.185 0.000 2.485 205 N HA 0.491 5.230 4.740 -0.001 0.000 0.243 205 N C 1.470 177.070 175.510 0.150 0.000 0.987 205 N CA 0.537 53.671 53.050 0.139 0.000 0.940 205 N CB 1.493 40.018 38.487 0.064 0.000 1.122 205 N HN 1.249 nan 8.380 nan 0.000 0.509 206 V N 0.951 120.915 119.914 0.083 0.000 0.524 206 V HA -0.362 3.757 4.120 -0.001 0.000 0.092 206 V C 0.151 176.165 176.094 -0.134 0.000 2.204 206 V CA 1.583 63.796 62.300 -0.145 0.000 3.556 206 V CB -1.339 30.264 31.823 -0.367 0.000 0.846 206 V HN 0.548 nan 8.190 nan 0.000 0.884 207 F N 2.308 122.364 119.950 0.178 0.000 2.351 207 F HA 0.687 5.213 4.527 -0.001 0.000 0.362 207 F C 0.955 176.820 175.800 0.108 0.000 1.131 207 F CA 0.430 58.507 58.000 0.129 0.000 1.187 207 F CB 0.807 39.850 39.000 0.072 0.000 1.434 207 F HN 0.271 nan 8.300 nan 0.000 0.553 208 G N 2.135 111.029 108.800 0.157 0.000 2.531 208 G HA2 0.622 4.581 3.960 -0.001 0.000 0.313 208 G HA3 0.622 4.581 3.960 -0.001 0.000 0.313 208 G C -1.053 173.848 174.900 0.002 0.000 1.238 208 G CA -0.725 44.363 45.100 -0.021 0.000 0.994 208 G HN 0.539 nan 8.290 nan 0.000 0.493 209 E N -1.164 119.039 120.200 0.006 0.000 2.222 209 E HA 0.646 4.996 4.350 -0.001 0.000 0.267 209 E C -0.589 176.062 176.600 0.086 0.000 0.884 209 E CA -1.042 55.394 56.400 0.060 0.000 0.764 209 E CB 2.069 31.829 29.700 0.100 0.000 1.169 209 E HN 0.550 nan 8.360 nan 0.000 0.413 210 A N 2.180 125.011 122.820 0.018 0.000 2.303 210 A HA 0.527 4.846 4.320 -0.001 0.000 0.317 210 A C 0.252 177.725 177.584 -0.185 0.000 1.149 210 A CA -0.459 51.542 52.037 -0.059 0.000 0.822 210 A CB 0.973 19.929 19.000 -0.073 0.000 1.131 210 A HN 0.775 nan 8.150 nan 0.000 0.493 211 S N 1.934 117.335 115.700 -0.498 0.000 2.713 211 S HA 0.698 5.167 4.470 -0.001 0.000 0.277 211 S C -2.676 171.686 174.600 -0.397 0.000 1.168 211 S CA -1.233 56.525 58.200 -0.737 0.000 0.994 211 S CB 0.310 62.619 63.200 -1.484 0.000 1.054 211 S HN 0.443 nan 8.310 nan 0.000 0.555 212 P HA 0.266 nan 4.420 nan 0.000 0.271 212 P C -1.037 176.139 177.300 -0.207 0.000 1.244 212 P CA -0.514 62.458 63.100 -0.213 0.000 0.793 212 P CB 0.307 31.901 31.700 -0.177 0.000 0.984 213 V N 0.829 120.651 119.914 -0.153 0.000 2.481 213 V HA 0.619 4.738 4.120 -0.001 0.000 0.286 213 V C 0.863 176.894 176.094 -0.106 0.000 1.042 213 V CA -0.012 62.211 62.300 -0.128 0.000 0.928 213 V CB 0.948 32.696 31.823 -0.126 0.000 0.986 213 V HN 0.718 nan 8.190 nan 0.000 0.462 214 G N 2.896 111.644 108.800 -0.087 0.000 2.511 214 G HA2 0.689 4.648 3.960 -0.001 0.000 0.318 214 G HA3 0.689 4.648 3.960 -0.001 0.000 0.318 214 G C -1.219 173.652 174.900 -0.048 0.000 1.210 214 G CA -0.464 44.593 45.100 -0.073 0.000 0.969 214 G HN 0.696 nan 8.290 nan 0.000 0.484 215 E N -0.133 120.038 120.200 -0.050 0.000 2.222 215 E HA 0.501 4.850 4.350 -0.001 0.000 0.267 215 E C -1.190 175.371 176.600 -0.064 0.000 0.884 215 E CA -0.691 55.687 56.400 -0.037 0.000 0.764 215 E CB 2.301 31.983 29.700 -0.030 0.000 1.169 215 E HN 0.202 nan 8.360 nan 0.000 0.413 216 V N 5.465 125.340 119.914 -0.064 0.000 2.348 216 V HA 0.389 4.508 4.120 -0.001 0.000 0.270 216 V C -0.038 175.929 176.094 -0.213 0.000 1.037 216 V CA -0.305 61.904 62.300 -0.152 0.000 0.872 216 V CB 0.419 32.175 31.823 -0.111 0.000 1.002 216 V HN 0.639 nan 8.190 nan 0.000 0.464 217 R N 3.747 124.062 120.500 -0.310 0.000 2.807 217 R HA 0.741 5.080 4.340 -0.001 0.000 0.276 217 R C -1.825 174.206 176.300 -0.448 0.000 0.979 217 R CA -0.921 55.026 56.100 -0.255 0.000 0.928 217 R CB 1.623 31.866 30.300 -0.094 0.000 1.191 217 R HN 0.415 nan 8.270 nan 0.000 0.471 218 Y N 0.238 120.548 120.300 0.017 0.000 2.468 218 Y HA 0.327 4.876 4.550 -0.002 0.000 0.342 218 Y C 0.247 176.160 175.900 0.023 0.000 1.021 218 Y CA -0.877 57.233 58.100 0.017 0.000 1.079 218 Y CB 2.012 40.477 38.460 0.007 0.000 1.226 218 Y HN 0.533 nan 8.280 nan 0.000 0.460 219 E N 1.009 121.318 120.200 0.180 0.000 2.292 219 E HA 0.649 4.999 4.350 -0.001 0.000 0.258 219 E C -0.662 176.019 176.600 0.135 0.000 1.115 219 E CA -1.133 55.348 56.400 0.135 0.000 0.929 219 E CB 1.016 30.794 29.700 0.131 0.000 1.161 219 E HN 0.687 nan 8.360 nan 0.000 0.453 220 A N 2.374 125.267 122.820 0.122 0.000 2.477 220 A HA 0.222 4.541 4.320 -0.001 0.000 0.246 220 A C -1.897 175.753 177.584 0.110 0.000 1.078 220 A CA -1.001 51.097 52.037 0.101 0.000 0.770 220 A CB -0.514 18.546 19.000 0.101 0.000 1.011 220 A HN 0.332 nan 8.150 nan 0.000 0.494 221 P HA 0.427 nan 4.420 nan 0.000 0.271 221 P C -0.772 176.481 177.300 -0.078 0.000 1.233 221 P CA 0.350 63.343 63.100 -0.178 0.000 0.789 221 P CB 0.388 31.961 31.700 -0.213 0.000 0.951 222 F N -1.832 118.040 119.950 -0.130 0.000 2.789 222 F HA 0.636 5.163 4.527 -0.001 0.000 0.319 222 F C -1.257 174.406 175.800 -0.228 0.000 1.168 222 F CA -1.384 56.567 58.000 -0.082 0.000 0.934 222 F CB 0.337 39.346 39.000 0.014 0.000 1.375 222 F HN 0.146 nan 8.300 nan 0.000 0.480 232 G N 0.808 109.519 108.800 -0.148 0.000 2.636 232 G HA2 0.406 4.365 3.960 -0.001 0.000 0.246 232 G HA3 0.406 4.365 3.960 -0.001 0.000 0.246 232 G C 0.095 175.066 174.900 0.119 0.000 1.216 232 G CA -0.549 44.555 45.100 0.006 0.000 0.854 232 G HN 0.621 nan 8.290 nan 0.000 0.572 233 R N -0.707 119.911 120.500 0.196 0.000 2.801 233 R HA 0.433 4.772 4.340 -0.001 0.000 0.273 233 R C 0.247 176.642 176.300 0.158 0.000 1.080 233 R CA 0.194 56.398 56.100 0.172 0.000 1.197 233 R CB 0.554 30.947 30.300 0.155 0.000 1.109 233 R HN 0.551 nan 8.270 nan 0.000 0.535 234 A N 1.293 124.156 122.820 0.072 0.000 2.304 234 A HA 0.242 4.561 4.320 -0.001 0.000 0.314 234 A C -0.739 176.757 177.584 -0.147 0.000 1.187 234 A CA -0.578 51.363 52.037 -0.160 0.000 0.810 234 A CB 0.963 19.838 19.000 -0.209 0.000 1.183 234 A HN 0.760 nan 8.150 nan 0.000 0.487 235 E N 2.958 123.048 120.200 -0.184 0.000 2.179 235 E HA 0.534 4.883 4.350 -0.001 0.000 0.275 235 E C -1.342 175.174 176.600 -0.139 0.000 0.945 235 E CA -0.606 55.724 56.400 -0.118 0.000 0.792 235 E CB 0.972 30.625 29.700 -0.078 0.000 1.125 235 E HN 0.649 nan 8.360 nan 0.000 0.397 236 L N 6.039 127.203 121.223 -0.099 0.000 2.352 236 L HA 0.291 4.630 4.340 -0.001 0.000 0.272 236 L C 0.051 176.875 176.870 -0.076 0.000 1.109 236 L CA -0.464 54.322 54.840 -0.090 0.000 0.952 236 L CB 0.321 42.337 42.059 -0.072 0.000 1.314 236 L HN 0.522 nan 8.230 nan 0.000 0.427 237 L N 4.935 126.112 121.223 -0.076 0.000 2.456 237 L HA 0.349 4.688 4.340 -0.001 0.000 0.277 237 L C -0.403 176.428 176.870 -0.064 0.000 1.124 237 L CA 0.116 54.918 54.840 -0.063 0.000 0.880 237 L CB 0.400 42.424 42.059 -0.057 0.000 1.192 237 L HN 0.520 nan 8.230 nan 0.000 0.463 238 I N 6.947 127.479 120.570 -0.064 0.000 2.418 238 I HA 0.397 4.566 4.170 -0.001 0.000 0.287 238 I C -1.862 174.217 176.117 -0.064 0.000 1.008 238 I CA -1.577 59.680 61.300 -0.072 0.000 1.104 238 I CB 1.846 39.797 38.000 -0.081 0.000 1.264 238 I HN 0.513 nan 8.210 nan 0.000 0.438 239 P HA 0.452 nan 4.420 nan 0.000 0.281 239 P C -0.665 176.598 177.300 -0.062 0.000 1.264 239 P CA -0.503 62.553 63.100 -0.072 0.000 0.824 239 P CB 1.303 32.959 31.700 -0.073 0.000 1.092 240 A N 2.682 125.463 122.820 -0.065 0.000 2.477 240 A HA 0.334 4.653 4.320 -0.001 0.000 0.246 240 A C -1.816 175.739 177.584 -0.048 0.000 1.078 240 A CA -1.057 50.948 52.037 -0.054 0.000 0.770 240 A CB -0.946 18.021 19.000 -0.054 0.000 1.011 240 A HN 0.437 nan 8.150 nan 0.000 0.494 241 P HA 0.330 nan 4.420 nan 0.000 0.260 241 P C -1.049 176.232 177.300 -0.031 0.000 1.651 241 P CA 0.459 63.540 63.100 -0.032 0.000 1.139 241 P CB -0.121 31.565 31.700 -0.024 0.000 1.756 242 L N 1.766 122.965 121.223 -0.039 0.000 2.333 242 L HA 0.478 4.817 4.340 -0.001 0.000 0.263 242 L C 0.349 177.194 176.870 -0.041 0.000 1.014 242 L CA -1.240 53.575 54.840 -0.042 0.000 0.820 242 L CB 1.410 43.434 42.059 -0.058 0.000 1.352 242 L HN 0.041 nan 8.230 nan 0.000 0.421 243 D N 1.065 121.441 120.400 -0.039 0.000 2.382 243 D HA 0.095 4.734 4.640 -0.001 0.000 0.240 243 D C -1.603 174.669 176.300 -0.045 0.000 1.146 243 D CA -1.293 52.685 54.000 -0.036 0.000 0.897 243 D CB 0.667 41.448 40.800 -0.032 0.000 1.197 243 D HN 0.229 nan 8.370 nan 0.000 0.432 244 P HA -0.148 nan 4.420 nan 0.000 0.214 244 P C 1.427 178.696 177.300 -0.052 0.000 1.169 244 P CA 1.762 64.836 63.100 -0.044 0.000 0.908 244 P CB 0.099 31.778 31.700 -0.036 0.000 0.791 245 G N -1.504 107.268 108.800 -0.048 0.000 2.422 245 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 245 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 245 G C 1.456 176.313 174.900 -0.071 0.000 1.146 245 G CA 1.538 46.606 45.100 -0.053 0.000 0.769 245 G HN 0.204 nan 8.290 nan 0.000 0.547 246 T N 0.308 114.817 114.554 -0.075 0.000 2.684 246 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 246 T C 2.271 176.892 174.700 -0.132 0.000 1.036 246 T CA 1.650 63.690 62.100 -0.100 0.000 1.148 246 T CB -0.256 68.562 68.868 -0.084 0.000 0.863 246 T HN 0.481 nan 8.240 nan 0.000 0.436 247 Q N 0.756 120.488 119.800 -0.114 0.000 2.096 247 Q HA -0.196 4.143 4.340 -0.001 0.000 0.204 247 Q C 2.130 178.049 176.000 -0.135 0.000 0.982 247 Q CA 1.704 57.429 55.803 -0.129 0.000 0.850 247 Q CB -0.094 28.583 28.738 -0.102 0.000 0.901 247 Q HN 0.587 nan 8.270 nan 0.000 0.422 248 E N -0.632 119.505 120.200 -0.105 0.000 2.110 248 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 248 E C 1.953 178.491 176.600 -0.103 0.000 0.988 248 E CA 1.745 58.091 56.400 -0.090 0.000 0.804 248 E CB 0.069 29.730 29.700 -0.065 0.000 0.745 248 E HN 0.370 nan 8.360 nan 0.000 0.458 249 T N 0.211 114.692 114.554 -0.121 0.000 2.777 249 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 249 T C 2.014 176.586 174.700 -0.213 0.000 1.040 249 T CA 0.921 62.942 62.100 -0.133 0.000 1.141 249 T CB -0.178 68.612 68.868 -0.130 0.000 0.868 249 T HN -0.022 nan 8.240 nan 0.000 0.444 250 V N 1.677 121.396 119.914 -0.324 0.000 2.332 250 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 250 V C 2.605 178.492 176.094 -0.345 0.000 1.055 250 V CA 1.769 63.713 62.300 -0.593 0.000 1.038 250 V CB -0.649 30.828 31.823 -0.576 0.000 0.651 250 V HN 0.538 nan 8.190 nan 0.000 0.450 251 Q N -0.567 119.122 119.800 -0.186 0.000 2.079 251 Q HA -0.218 4.122 4.340 -0.001 0.000 0.200 251 Q C 2.292 178.273 176.000 -0.032 0.000 0.974 251 Q CA 1.694 57.444 55.803 -0.088 0.000 0.840 251 Q CB -0.177 28.509 28.738 -0.087 0.000 0.898 251 Q HN 0.689 nan 8.270 nan 0.000 0.430 252 E N 0.634 120.809 120.200 -0.041 0.000 2.077 252 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 252 E C 2.010 178.634 176.600 0.039 0.000 0.989 252 E CA 0.832 57.231 56.400 -0.001 0.000 0.800 252 E CB -0.029 29.662 29.700 -0.014 0.000 0.746 252 E HN 0.295 nan 8.360 nan 0.000 0.452 253 L N 0.363 121.614 121.223 0.047 0.000 2.093 253 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 253 L C 2.549 179.564 176.870 0.241 0.000 1.085 253 L CA 0.838 55.767 54.840 0.149 0.000 0.755 253 L CB -0.424 41.764 42.059 0.215 0.000 0.904 253 L HN 0.161 nan 8.230 nan 0.000 0.435 254 A N 0.219 123.215 122.820 0.294 0.000 1.877 254 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 254 A C 2.223 179.906 177.584 0.165 0.000 1.186 254 A CA 1.351 53.555 52.037 0.279 0.000 0.620 254 A CB -0.660 18.503 19.000 0.272 0.000 0.822 254 A HN 0.350 nan 8.150 nan 0.000 0.443 255 L N -0.722 120.562 121.223 0.102 0.000 2.093 255 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 255 L C 2.632 179.575 176.870 0.121 0.000 1.085 255 L CA 1.814 56.703 54.840 0.081 0.000 0.755 255 L CB -0.392 41.695 42.059 0.047 0.000 0.904 255 L HN 0.499 nan 8.230 nan 0.000 0.435 256 K N 0.556 121.018 120.400 0.103 0.000 2.025 256 K HA -0.157 4.163 4.320 -0.001 0.000 0.207 256 K C 2.189 178.835 176.600 0.077 0.000 1.049 256 K CA 1.279 57.615 56.287 0.081 0.000 0.933 256 K CB -0.078 32.463 32.500 0.069 0.000 0.714 256 K HN 0.217 nan 8.250 nan 0.000 0.438 257 A N 0.416 123.291 122.820 0.092 0.000 1.902 257 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 257 A C 2.076 179.703 177.584 0.071 0.000 1.181 257 A CA 1.475 53.546 52.037 0.057 0.000 0.623 257 A CB -0.988 18.033 19.000 0.036 0.000 0.818 257 A HN 0.570 nan 8.150 nan 0.000 0.443 258 Y N 0.452 120.741 120.300 -0.019 0.000 2.128 258 Y HA -0.254 4.296 4.550 -0.001 0.000 0.284 258 Y C 2.486 178.337 175.900 -0.081 0.000 1.154 258 Y CA 2.487 60.568 58.100 -0.032 0.000 1.149 258 Y CB -0.137 38.325 38.460 0.004 0.000 0.976 258 Y HN 0.346 nan 8.280 nan 0.000 0.505 259 K N -0.698 119.751 120.400 0.080 0.000 2.025 259 K HA -0.131 4.189 4.320 -0.001 0.000 0.207 259 K C 1.941 178.462 176.600 -0.131 0.000 1.049 259 K CA 1.559 57.781 56.287 -0.109 0.000 0.933 259 K CB -0.369 32.057 32.500 -0.123 0.000 0.714 259 K HN 0.215 nan 8.250 nan 0.000 0.438 260 V N 1.786 121.662 119.914 -0.064 0.000 2.332 260 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 260 V C 2.145 178.191 176.094 -0.081 0.000 1.055 260 V CA 1.636 63.902 62.300 -0.056 0.000 1.038 260 V CB -0.311 31.498 31.823 -0.023 0.000 0.651 260 V HN 0.337 nan 8.190 nan 0.000 0.450 261 L N 0.175 121.337 121.223 -0.103 0.000 2.599 261 L HA 0.254 4.593 4.340 -0.001 0.000 0.230 261 L C 1.657 178.425 176.870 -0.170 0.000 1.141 261 L CA 0.765 55.531 54.840 -0.123 0.000 0.877 261 L CB -0.596 41.386 42.059 -0.127 0.000 1.009 261 L HN 0.548 nan 8.230 nan 0.000 0.447 262 G N 0.690 109.365 108.800 -0.209 0.000 2.249 262 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.273 262 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.273 262 G C 0.242 174.954 174.900 -0.313 0.000 1.036 262 G CA 0.174 45.133 45.100 -0.234 0.000 0.824 262 G HN 0.121 nan 8.290 nan 0.000 0.504 263 V N -0.221 119.379 119.914 -0.523 0.000 2.740 263 V HA 0.372 4.491 4.120 -0.001 0.000 0.303 263 V C 1.151 176.896 176.094 -0.582 0.000 1.054 263 V CA 0.329 62.230 62.300 -0.664 0.000 1.106 263 V CB 0.976 32.121 31.823 -1.129 0.000 0.957 263 V HN 0.519 nan 8.190 nan 0.000 0.486 264 R N 1.636 121.957 120.500 -0.298 0.000 2.803 264 R HA 0.653 4.992 4.340 -0.001 0.000 0.276 264 R C 1.077 177.359 176.300 -0.029 0.000 0.978 264 R CA 0.112 56.135 56.100 -0.129 0.000 0.939 264 R CB 1.744 31.961 30.300 -0.139 0.000 1.179 264 R HN 0.958 nan 8.270 nan 0.000 0.472 265 G N 1.670 110.494 108.800 0.039 0.000 5.452 265 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.310 265 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.310 265 G C -0.027 174.967 174.900 0.157 0.000 1.392 265 G CA 0.887 46.006 45.100 0.032 0.000 0.942 265 G HN 0.639 nan 8.290 nan 0.000 0.776 266 M N -1.959 117.762 119.600 0.201 0.000 2.949 266 M HA 0.809 5.288 4.480 -0.001 0.000 0.270 266 M C -0.967 175.519 176.300 0.309 0.000 1.221 266 M CA -0.325 55.145 55.300 0.283 0.000 0.818 266 M CB 1.800 34.464 32.600 0.106 0.000 1.635 266 M HN 2.308 nan 8.290 nan 0.000 0.492 267 A N 0.973 123.988 122.820 0.325 0.000 2.583 267 A HA 0.699 5.018 4.320 -0.001 0.000 0.298 267 A C -1.893 175.863 177.584 0.288 0.000 1.055 267 A CA -0.726 51.467 52.037 0.259 0.000 0.714 267 A CB 1.749 20.991 19.000 0.404 0.000 1.277 267 A HN 0.911 nan 8.150 nan 0.000 0.406 268 R N 1.971 122.580 120.500 0.183 0.000 2.265 268 R HA 0.593 4.932 4.340 -0.001 0.000 0.328 268 R C -1.385 174.986 176.300 0.118 0.000 0.969 268 R CA -0.299 55.947 56.100 0.243 0.000 0.832 268 R CB 1.014 31.437 30.300 0.206 0.000 1.139 268 R HN 0.535 nan 8.270 nan 0.000 0.457 269 V N 4.897 124.881 119.914 0.116 0.000 2.383 269 V HA 0.191 4.311 4.120 -0.001 0.000 0.275 269 V C -0.416 175.655 176.094 -0.039 0.000 1.036 269 V CA -0.674 61.625 62.300 -0.003 0.000 0.889 269 V CB 1.397 33.248 31.823 0.047 0.000 0.985 269 V HN 0.722 nan 8.190 nan 0.000 0.459 270 D N 4.521 124.793 120.400 -0.212 0.000 2.198 270 D HA 0.604 5.243 4.640 -0.001 0.000 0.245 270 D C -0.568 175.460 176.300 -0.452 0.000 1.079 270 D CA 0.082 53.959 54.000 -0.206 0.000 0.854 270 D CB 1.639 42.307 40.800 -0.220 0.000 1.148 270 D HN 0.267 nan 8.370 nan 0.000 0.456 271 F N 0.744 120.559 119.950 -0.225 0.000 2.598 271 F HA 0.530 5.056 4.527 -0.001 0.000 0.327 271 F C -0.245 175.451 175.800 -0.173 0.000 1.057 271 F CA -0.993 56.876 58.000 -0.219 0.000 0.957 271 F CB 1.245 40.203 39.000 -0.070 0.000 1.278 271 F HN 0.088 nan 8.300 nan 0.000 0.484 272 F N 2.053 122.175 119.950 0.288 0.000 2.508 272 F HA 0.621 5.147 4.527 -0.002 0.000 0.325 272 F C -0.702 175.260 175.800 0.271 0.000 1.090 272 F CA -1.238 56.884 58.000 0.202 0.000 0.945 272 F CB 1.751 40.828 39.000 0.127 0.000 1.156 272 F HN 0.087 nan 8.300 nan 0.000 0.463 273 L N 3.289 124.740 121.223 0.381 0.000 2.343 273 L HA 0.894 5.233 4.340 -0.001 0.000 0.278 273 L C -1.152 175.846 176.870 0.213 0.000 0.996 273 L CA -0.568 54.421 54.840 0.249 0.000 0.831 273 L CB 1.013 43.151 42.059 0.133 0.000 1.232 273 L HN 0.641 nan 8.230 nan 0.000 0.413 274 A N 3.538 126.507 122.820 0.249 0.000 2.408 274 A HA 0.705 5.024 4.320 -0.001 0.000 0.295 274 A C -0.221 177.458 177.584 0.159 0.000 1.040 274 A CA -0.362 51.779 52.037 0.174 0.000 0.707 274 A CB 0.898 19.985 19.000 0.145 0.000 1.235 274 A HN 0.714 nan 8.150 nan 0.000 0.418 275 E N 1.133 121.388 120.200 0.092 0.000 2.360 275 E HA -0.266 4.084 4.350 -0.001 0.000 0.238 275 E C 1.042 177.678 176.600 0.060 0.000 1.186 275 E CA 1.886 58.328 56.400 0.070 0.000 0.719 275 E CB -1.764 27.981 29.700 0.075 0.000 1.236 275 E HN 2.383 nan 8.360 nan 0.000 0.386 276 G N -0.496 108.334 108.800 0.050 0.000 2.168 276 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.263 276 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.263 276 G C -0.002 174.899 174.900 0.002 0.000 0.977 276 G CA 0.746 45.859 45.100 0.021 0.000 0.659 276 G HN 0.254 nan 8.290 nan 0.000 0.533 277 E N -0.197 120.019 120.200 0.026 0.000 2.179 277 E HA 0.621 4.971 4.350 -0.001 0.000 0.275 277 E C 0.296 176.807 176.600 -0.148 0.000 0.945 277 E CA -0.621 55.722 56.400 -0.094 0.000 0.792 277 E CB 1.728 31.366 29.700 -0.103 0.000 1.125 277 E HN 0.321 nan 8.360 nan 0.000 0.397 278 L N 2.875 123.933 121.223 -0.275 0.000 2.325 278 L HA 0.413 4.752 4.340 -0.001 0.000 0.279 278 L C -0.856 175.822 176.870 -0.320 0.000 1.054 278 L CA -0.713 54.048 54.840 -0.132 0.000 0.804 278 L CB 0.562 42.568 42.059 -0.089 0.000 1.200 278 L HN 0.441 nan 8.230 nan 0.000 0.436 279 Y N 2.544 123.004 120.300 0.266 0.000 2.386 279 Y HA 0.372 4.921 4.550 -0.002 0.000 0.334 279 Y C -0.382 175.573 175.900 0.093 0.000 1.002 279 Y CA -0.594 57.621 58.100 0.193 0.000 1.068 279 Y CB 1.854 40.440 38.460 0.209 0.000 1.203 279 Y HN 0.355 nan 8.280 nan 0.000 0.443 280 L N 3.362 124.600 121.223 0.025 0.000 2.278 280 L HA 0.281 4.620 4.340 -0.001 0.000 0.287 280 L C 0.551 177.161 176.870 -0.433 0.000 1.072 280 L CA 0.087 54.612 54.840 -0.524 0.000 0.819 280 L CB 0.662 42.410 42.059 -0.518 0.000 1.176 280 L HN 0.854 nan 8.230 nan 0.000 0.435 281 N N 3.579 121.898 118.700 -0.634 0.000 2.278 281 N HA 0.008 4.747 4.740 -0.001 0.000 0.181 281 N C -0.236 175.015 175.510 -0.431 0.000 1.023 281 N CA 0.659 53.345 53.050 -0.606 0.000 0.862 281 N CB 0.469 38.259 38.487 -1.162 0.000 1.003 281 N HN 0.731 nan 8.380 nan 0.000 0.431 282 E N -1.072 118.868 120.200 -0.433 0.000 2.380 282 E HA 0.307 4.656 4.350 -0.001 0.000 0.281 282 E C -1.953 174.504 176.600 -0.238 0.000 0.999 282 E CA -0.629 55.598 56.400 -0.288 0.000 0.800 282 E CB 0.797 30.364 29.700 -0.222 0.000 1.228 282 E HN 0.029 nan 8.360 nan 0.000 0.436 283 L N 3.438 124.566 121.223 -0.158 0.000 2.294 283 L HA 0.408 4.747 4.340 -0.001 0.000 0.283 283 L C -0.402 176.441 176.870 -0.045 0.000 1.015 283 L CA -0.465 54.326 54.840 -0.081 0.000 0.831 283 L CB 1.282 43.309 42.059 -0.054 0.000 1.217 283 L HN 0.368 nan 8.230 nan 0.000 0.420 284 N N 1.657 120.349 118.700 -0.014 0.000 2.408 284 N HA 0.124 4.863 4.740 -0.001 0.000 0.257 284 N C 0.945 176.474 175.510 0.033 0.000 1.064 284 N CA 0.072 53.126 53.050 0.007 0.000 0.952 284 N CB 1.749 40.244 38.487 0.014 0.000 1.093 284 N HN 0.664 nan 8.380 nan 0.000 0.490 285 T N -1.264 113.310 114.554 0.032 0.000 3.043 285 T HA 0.108 4.457 4.350 -0.001 0.000 0.263 285 T C 0.938 175.677 174.700 0.065 0.000 1.094 285 T CA 0.646 62.770 62.100 0.038 0.000 1.127 285 T CB 0.305 69.184 68.868 0.019 0.000 0.905 285 T HN 0.324 nan 8.240 nan 0.000 0.490 286 I N 3.591 124.228 120.570 0.112 0.000 2.750 286 I HA 0.387 4.556 4.170 -0.001 0.000 0.279 286 I C -2.694 173.606 176.117 0.306 0.000 1.206 286 I CA -2.936 58.484 61.300 0.199 0.000 1.101 286 I CB 0.828 38.930 38.000 0.170 0.000 1.431 286 I HN 0.085 nan 8.210 nan 0.000 0.551 287 P HA 0.136 nan 4.420 nan 0.000 0.274 287 P C 0.459 177.907 177.300 0.246 0.000 1.256 287 P CA -0.006 63.181 63.100 0.145 0.000 0.795 287 P CB 1.090 32.808 31.700 0.029 0.000 1.038 288 G N -0.041 108.775 108.800 0.028 0.000 2.353 288 G HA2 0.064 4.023 3.960 -0.001 0.000 0.239 288 G HA3 0.064 4.023 3.960 -0.001 0.000 0.239 288 G C -0.603 174.422 174.900 0.208 0.000 1.295 288 G CA -0.211 44.911 45.100 0.036 0.000 0.884 288 G HN 0.445 nan 8.290 nan 0.000 0.537 289 F N 1.361 121.430 119.950 0.198 0.000 2.805 289 F HA 0.224 4.750 4.527 -0.002 0.000 0.317 289 F C 1.619 177.594 175.800 0.293 0.000 1.146 289 F CA -0.353 57.812 58.000 0.276 0.000 1.265 289 F CB 0.540 39.692 39.000 0.253 0.000 0.992 289 F HN 0.602 nan 8.300 nan 0.000 0.511 290 T N -2.741 111.967 114.554 0.256 0.000 2.788 290 T HA 0.194 4.543 4.350 -0.001 0.000 0.287 290 T C -1.626 173.087 174.700 0.022 0.000 1.007 290 T CA -1.527 60.672 62.100 0.164 0.000 1.005 290 T CB 1.231 70.145 68.868 0.076 0.000 1.012 290 T HN -0.128 nan 8.240 nan 0.000 0.530 291 P HA -0.018 nan 4.420 nan 0.000 0.221 291 P C 1.238 178.409 177.300 -0.215 0.000 1.145 291 P CA 1.094 63.941 63.100 -0.422 0.000 0.795 291 P CB -0.123 31.380 31.700 -0.328 0.000 0.775 292 T N -6.135 108.358 114.554 -0.103 0.000 3.134 292 T HA 0.249 4.598 4.350 -0.001 0.000 0.260 292 T C 0.690 175.364 174.700 -0.044 0.000 1.027 292 T CA -0.314 61.745 62.100 -0.069 0.000 0.913 292 T CB -0.463 68.378 68.868 -0.046 0.000 1.046 292 T HN -0.170 nan 8.240 nan 0.000 0.553 293 S N 1.713 117.394 115.700 -0.031 0.000 2.603 293 S HA 0.360 4.829 4.470 -0.001 0.000 0.268 293 S C 1.223 175.810 174.600 -0.022 0.000 1.317 293 S CA -0.667 57.524 58.200 -0.015 0.000 1.012 293 S CB 1.068 64.273 63.200 0.009 0.000 0.926 293 S HN 0.350 nan 8.310 nan 0.000 0.539 294 M N 2.066 121.660 119.600 -0.009 0.000 2.080 294 M HA -0.137 4.342 4.480 -0.001 0.000 0.260 294 M C 1.681 177.982 176.300 0.001 0.000 1.068 294 M CA 1.843 57.136 55.300 -0.012 0.000 1.109 294 M CB -0.809 31.791 32.600 -0.001 0.000 1.342 294 M HN 0.814 nan 8.290 nan 0.000 0.405 295 Y N 0.364 120.615 120.300 -0.081 0.000 2.097 295 Y HA -0.150 4.399 4.550 -0.001 0.000 0.282 295 Y C -0.924 174.960 175.900 -0.027 0.000 1.152 295 Y CA 2.375 60.442 58.100 -0.055 0.000 1.136 295 Y CB -1.800 36.599 38.460 -0.102 0.000 0.975 295 Y HN 0.247 nan 8.280 nan 0.000 0.498 296 P HA -0.143 nan 4.420 nan 0.000 0.215 296 P C 1.278 178.578 177.300 0.000 0.000 1.157 296 P CA 2.224 65.325 63.100 0.002 0.000 0.863 296 P CB -0.076 31.690 31.700 0.111 0.000 0.787 297 R N -1.200 119.273 120.500 -0.046 0.000 2.120 297 R HA -0.090 4.249 4.340 -0.001 0.000 0.234 297 R C 2.040 178.281 176.300 -0.098 0.000 1.123 297 R CA 0.898 56.961 56.100 -0.063 0.000 0.975 297 R CB -1.065 29.194 30.300 -0.069 0.000 0.866 297 R HN 0.162 nan 8.270 nan 0.000 0.446 298 L N -0.450 120.677 121.223 -0.160 0.000 2.027 298 L HA -0.108 4.231 4.340 -0.001 0.000 0.206 298 L C 1.887 178.551 176.870 -0.344 0.000 1.074 298 L CA 1.689 56.366 54.840 -0.271 0.000 0.745 298 L CB -0.589 41.254 42.059 -0.360 0.000 0.898 298 L HN 0.015 nan 8.230 nan 0.000 0.433 299 F N -0.264 119.537 119.950 -0.250 0.000 2.325 299 F HA -0.148 4.377 4.527 -0.002 0.000 0.299 299 F C 2.489 178.225 175.800 -0.106 0.000 1.090 299 F CA 1.157 59.038 58.000 -0.198 0.000 1.392 299 F CB -0.262 38.581 39.000 -0.260 0.000 1.053 299 F HN 0.176 nan 8.300 nan 0.000 0.521 300 E N 0.694 120.932 120.200 0.063 0.000 2.106 300 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 300 E C 2.129 178.725 176.600 -0.006 0.000 0.984 300 E CA 1.334 57.757 56.400 0.039 0.000 0.806 300 E CB -0.391 29.319 29.700 0.017 0.000 0.750 300 E HN 0.208 nan 8.360 nan 0.000 0.458 301 A N -0.041 122.748 122.820 -0.051 0.000 2.067 301 A HA 0.057 4.377 4.320 -0.001 0.000 0.219 301 A C 2.189 179.732 177.584 -0.068 0.000 1.158 301 A CA 1.292 53.288 52.037 -0.068 0.000 0.661 301 A CB -0.780 18.160 19.000 -0.099 0.000 0.801 301 A HN 0.343 nan 8.150 nan 0.000 0.452 302 G N -1.923 106.832 108.800 -0.074 0.000 3.088 302 G HA2 0.385 4.345 3.960 -0.001 0.000 0.212 302 G HA3 0.385 4.345 3.960 -0.001 0.000 0.212 302 G C 1.035 175.945 174.900 0.018 0.000 1.173 302 G CA 0.427 45.494 45.100 -0.055 0.000 0.779 302 G HN 1.557 nan 8.290 nan 0.000 0.540 303 G N -1.212 107.601 108.800 0.023 0.000 2.132 303 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.234 303 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.234 303 G C 0.013 174.947 174.900 0.056 0.000 0.989 303 G CA 0.102 45.221 45.100 0.032 0.000 0.676 303 G HN 0.807 nan 8.290 nan 0.000 0.522 304 V N 1.193 121.163 119.914 0.093 0.000 2.304 304 V HA 0.742 4.861 4.120 -0.001 0.000 0.278 304 V C 0.901 177.049 176.094 0.090 0.000 1.018 304 V CA -0.544 61.812 62.300 0.094 0.000 0.814 304 V CB 0.892 32.792 31.823 0.128 0.000 1.021 304 V HN 1.110 nan 8.190 nan 0.000 0.440 305 A N 3.294 126.152 122.820 0.063 0.000 2.483 305 A HA 0.223 4.542 4.320 -0.001 0.000 0.238 305 A C 0.900 178.557 177.584 0.122 0.000 1.070 305 A CA 0.159 52.239 52.037 0.072 0.000 0.770 305 A CB -0.036 18.988 19.000 0.039 0.000 1.008 305 A HN 0.840 nan 8.150 nan 0.000 0.497 306 Y N 2.933 123.227 120.300 -0.011 0.000 2.102 306 Y HA -0.169 4.380 4.550 -0.001 0.000 0.280 306 Y C -0.764 175.187 175.900 0.084 0.000 1.178 306 Y CA 2.987 61.109 58.100 0.038 0.000 1.146 306 Y CB -1.252 37.181 38.460 -0.047 0.000 0.968 306 Y HN 0.544 nan 8.280 nan 0.000 0.504 307 P HA -0.153 nan 4.420 nan 0.000 0.217 307 P C 1.350 178.639 177.300 -0.019 0.000 1.150 307 P CA 2.142 65.256 63.100 0.024 0.000 0.832 307 P CB 0.006 31.737 31.700 0.052 0.000 0.787 308 E N -0.355 119.846 120.200 0.002 0.000 2.150 308 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 308 E C 1.760 178.358 176.600 -0.003 0.000 0.985 308 E CA 0.752 57.148 56.400 -0.005 0.000 0.814 308 E CB -1.180 28.524 29.700 0.006 0.000 0.752 308 E HN 0.009 nan 8.360 nan 0.000 0.466 309 L N 0.068 121.295 121.223 0.006 0.000 2.056 309 L HA -0.051 4.288 4.340 -0.001 0.000 0.207 309 L C 2.100 178.997 176.870 0.046 0.000 1.078 309 L CA 1.597 56.441 54.840 0.006 0.000 0.749 309 L CB -0.448 41.650 42.059 0.064 0.000 0.901 309 L HN 0.256 nan 8.230 nan 0.000 0.433 310 L N -0.763 120.474 121.223 0.024 0.000 2.046 310 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 310 L C 2.801 179.740 176.870 0.115 0.000 1.077 310 L CA 1.494 56.368 54.840 0.057 0.000 0.747 310 L CB -0.612 41.443 42.059 -0.006 0.000 0.896 310 L HN 0.318 nan 8.230 nan 0.000 0.432 311 R N 0.546 121.096 120.500 0.083 0.000 2.083 311 R HA -0.173 4.166 4.340 -0.001 0.000 0.237 311 R C 2.493 178.900 176.300 0.178 0.000 1.137 311 R CA 1.532 57.739 56.100 0.178 0.000 0.951 311 R CB -0.078 30.226 30.300 0.007 0.000 0.851 311 R HN 0.288 nan 8.270 nan 0.000 0.434 312 R N 0.201 120.742 120.500 0.069 0.000 2.081 312 R HA -0.110 4.229 4.340 -0.001 0.000 0.235 312 R C 2.443 178.743 176.300 0.001 0.000 1.131 312 R CA 1.468 57.584 56.100 0.027 0.000 0.960 312 R CB -0.397 29.890 30.300 -0.021 0.000 0.856 312 R HN 0.272 nan 8.270 nan 0.000 0.436 313 L N 0.224 121.437 121.223 -0.017 0.000 2.083 313 L HA -0.175 4.165 4.340 -0.001 0.000 0.209 313 L C 2.363 179.147 176.870 -0.144 0.000 1.083 313 L CA 0.991 55.766 54.840 -0.107 0.000 0.752 313 L CB -0.367 41.575 42.059 -0.194 0.000 0.899 313 L HN 0.042 nan 8.230 nan 0.000 0.433 314 V N -0.650 119.230 119.914 -0.057 0.000 2.358 314 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 314 V C 2.488 178.519 176.094 -0.105 0.000 1.047 314 V CA 1.499 63.744 62.300 -0.092 0.000 1.035 314 V CB -0.441 31.358 31.823 -0.041 0.000 0.658 314 V HN 0.410 nan 8.190 nan 0.000 0.452 315 E N 0.140 120.327 120.200 -0.023 0.000 2.106 315 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 315 E C 2.221 178.792 176.600 -0.048 0.000 0.984 315 E CA 0.997 57.383 56.400 -0.025 0.000 0.806 315 E CB -0.302 29.421 29.700 0.038 0.000 0.750 315 E HN 0.510 nan 8.360 nan 0.000 0.458 316 L N 0.524 121.716 121.223 -0.052 0.000 2.083 316 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 316 L C 2.461 179.272 176.870 -0.099 0.000 1.083 316 L CA 1.019 55.825 54.840 -0.057 0.000 0.752 316 L CB -0.486 41.544 42.059 -0.047 0.000 0.899 316 L HN 0.053 nan 8.230 nan 0.000 0.433 317 A N -0.254 122.482 122.820 -0.139 0.000 2.076 317 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 317 A C 2.112 179.601 177.584 -0.159 0.000 1.160 317 A CA 1.309 53.234 52.037 -0.187 0.000 0.653 317 A CB -0.501 18.380 19.000 -0.199 0.000 0.801 317 A HN 0.436 nan 8.150 nan 0.000 0.455 318 L N -0.317 120.836 121.223 -0.116 0.000 2.567 318 L HA 0.089 4.428 4.340 -0.001 0.000 0.225 318 L C 1.254 178.081 176.870 -0.072 0.000 1.119 318 L CA 0.626 55.410 54.840 -0.093 0.000 0.871 318 L CB -0.139 41.870 42.059 -0.083 0.000 1.036 318 L HN 0.562 nan 8.230 nan 0.000 0.459 319 T N 0.000 114.513 114.554 -0.068 0.000 3.816 319 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 319 T CA 0.000 62.073 62.100 -0.045 0.000 1.349 319 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658