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 3mjt_1_B DATA FIRST_RESID -2 DATA SEQUENCE SHMDALRYHI EWNRVAEPGT ARPAGRLLAV ISPDHAGAPW VTAVLDALGP DATA SEQUENCE DTVRFEAKGT DRAAWAAQLA QLREDEGEFH AVVSLLAAAE ALHTDHGSVP DATA SEQUENCE LGLAQTLLLA QALGDAGLTA PLWCLTRGGV AAGRGDVLSS PVQGALWGLG DATA SEQUENCE RVIGLEHPDR WGGLIDLPET VDTRAAARLT GLLADAGGED QLAIRGSGVL DATA SEQUENCE ARRLAHAAPA VPGSGKRPPV HGSVLVTGGT GGIGGRVARR LAEQGAAHLV DATA SEQUENCE LTSRRGADAP GAAELRAELE QLGVRVTIAA CDAADREALA ALLAELPEDA DATA SEQUENCE PLTAVFHSAG VAHDDAPVAD LTLGQLDALM RAKLTAARHL HELTADLDLD DATA SEQUENCE AFVLFSSGAA VWGSGGHPGY AAANAYLDAL AEHRRSLGLT ASSVAWGTWG DATA SEQUENCE EVGMATDPEV HDRLVRQGVL AMEPEHALGA LDQMLENDDT AAAITLMDWE DATA SEQUENCE MFAPAFTANR PSALLSTVPE AVSAL 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.558 174.600 -0.070 0.000 1.055 -2 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 -2 S CB 0.000 63.158 63.200 -0.070 0.000 0.593 -1 H N 2.066 121.074 119.070 -0.103 0.000 2.290 -1 H HA 0.155 4.715 4.556 0.007 0.000 0.298 -1 H C 2.153 177.411 175.328 -0.116 0.000 1.087 -1 H CA 2.776 58.757 56.048 -0.111 0.000 1.291 -1 H CB -0.214 29.400 29.762 -0.247 0.000 1.369 -1 H HN 0.360 nan 8.280 nan 0.000 0.492 0 M N -0.181 119.394 119.600 -0.042 0.000 2.117 0 M HA -0.175 4.309 4.480 0.007 0.000 0.262 0 M C 1.685 177.981 176.300 -0.006 0.000 1.065 0 M CA 1.350 56.632 55.300 -0.031 0.000 1.114 0 M CB 0.016 32.583 32.600 -0.055 0.000 1.361 0 M HN 0.234 nan 8.290 nan 0.000 0.408 1 D N 0.752 121.136 120.400 -0.028 0.000 2.158 1 D HA -0.133 4.511 4.640 0.007 0.000 0.197 1 D C 1.937 178.204 176.300 -0.053 0.000 0.995 1 D CA 1.686 55.661 54.000 -0.042 0.000 0.846 1 D CB -0.178 40.587 40.800 -0.058 0.000 0.941 1 D HN 0.372 nan 8.370 nan 0.000 0.456 2 A N 0.205 123.001 122.820 -0.039 0.000 2.121 2 A HA -0.066 4.258 4.320 0.007 0.000 0.218 2 A C 2.246 179.839 177.584 0.015 0.000 1.154 2 A CA 0.611 52.633 52.037 -0.026 0.000 0.679 2 A CB -0.466 18.529 19.000 -0.009 0.000 0.795 2 A HN 0.241 nan 8.150 nan 0.000 0.458 3 L N -1.154 120.101 121.223 0.052 0.000 2.446 3 L HA 0.067 4.411 4.340 0.007 0.000 0.219 3 L C 0.825 177.784 176.870 0.148 0.000 1.116 3 L CA 0.124 55.056 54.840 0.153 0.000 0.844 3 L CB -0.154 41.999 42.059 0.157 0.000 0.970 3 L HN 0.233 nan 8.230 nan 0.000 0.457 4 R N -0.183 120.304 120.500 -0.022 0.000 2.297 4 R HA 0.467 4.811 4.340 0.007 0.000 0.308 4 R C -1.454 174.764 176.300 -0.138 0.000 1.029 4 R CA -0.285 55.823 56.100 0.013 0.000 0.929 4 R CB 1.026 31.324 30.300 -0.003 0.000 1.046 4 R HN -0.126 nan 8.270 nan 0.000 0.461 5 Y N 1.280 121.656 120.300 0.127 0.000 2.605 5 Y HA 0.376 4.930 4.550 0.006 0.000 0.343 5 Y C 0.355 176.385 175.900 0.216 0.000 1.036 5 Y CA -0.920 57.268 58.100 0.147 0.000 1.065 5 Y CB 1.754 40.270 38.460 0.093 0.000 1.288 5 Y HN 0.602 nan 8.280 nan 0.000 0.481 6 H N 0.066 119.235 119.070 0.166 0.000 3.016 6 H HA 0.482 5.040 4.556 0.004 0.000 0.362 6 H C -1.723 173.642 175.328 0.061 0.000 1.233 6 H CA -1.076 55.031 56.048 0.098 0.000 1.124 6 H CB 1.017 30.816 29.762 0.062 0.000 1.850 6 H HN 0.504 nan 8.280 nan 0.000 0.549 7 I N 2.064 122.570 120.570 -0.107 0.000 2.474 7 I HA 0.205 4.379 4.170 0.007 0.000 0.287 7 I C 0.510 176.440 176.117 -0.312 0.000 1.048 7 I CA 0.205 61.365 61.300 -0.233 0.000 1.383 7 I CB 0.735 38.667 38.000 -0.113 0.000 1.412 7 I HN 0.625 nan 8.210 nan 0.000 0.531 8 E N 4.476 124.441 120.200 -0.391 0.000 2.410 8 E HA 0.477 4.831 4.350 0.007 0.000 0.269 8 E C -1.769 174.662 176.600 -0.283 0.000 0.937 8 E CA -0.646 55.638 56.400 -0.194 0.000 0.793 8 E CB 2.191 31.768 29.700 -0.205 0.000 1.314 8 E HN 0.363 nan 8.360 nan 0.000 0.447 9 W N 0.876 122.155 121.300 -0.036 0.000 2.683 9 W HA 0.412 5.072 4.660 0.001 0.000 0.329 9 W C -0.600 175.920 176.519 0.002 0.000 1.037 9 W CA -0.416 56.922 57.345 -0.012 0.000 1.232 9 W CB 1.389 30.839 29.460 -0.016 0.000 1.390 9 W HN 0.244 nan 8.180 nan 0.000 0.465 10 N N 2.180 120.999 118.700 0.198 0.000 2.314 10 N HA 0.392 5.136 4.740 0.007 0.000 0.304 10 N C -0.493 175.105 175.510 0.147 0.000 1.073 10 N CA -1.085 52.044 53.050 0.131 0.000 0.822 10 N CB 1.664 40.189 38.487 0.062 0.000 1.280 10 N HN 0.351 nan 8.380 nan 0.000 0.489 11 R N 0.790 121.357 120.500 0.112 0.000 2.623 11 R HA 0.236 4.580 4.340 0.007 0.000 0.271 11 R C -0.077 176.273 176.300 0.085 0.000 1.043 11 R CA -0.145 56.013 56.100 0.096 0.000 1.083 11 R CB 0.214 30.555 30.300 0.068 0.000 0.974 11 R HN 0.444 nan 8.270 nan 0.000 0.436 12 V N 0.779 120.746 119.914 0.087 0.000 3.158 12 V HA 0.810 4.934 4.120 0.007 0.000 0.315 12 V C -0.148 175.982 176.094 0.060 0.000 1.148 12 V CA -1.040 61.306 62.300 0.076 0.000 1.042 12 V CB 1.444 33.324 31.823 0.095 0.000 1.101 12 V HN 0.920 nan 8.190 nan 0.000 0.448 13 A N 0.490 123.341 122.820 0.052 0.000 2.407 13 A HA 0.454 4.778 4.320 0.007 0.000 0.248 13 A C 0.388 177.994 177.584 0.037 0.000 1.082 13 A CA -0.236 51.825 52.037 0.041 0.000 0.785 13 A CB -0.257 18.764 19.000 0.035 0.000 1.020 13 A HN 0.864 nan 8.150 nan 0.000 0.489 14 E N 2.148 122.365 120.200 0.028 0.000 2.452 14 E HA 0.161 4.515 4.350 0.007 0.000 0.261 14 E C -1.716 174.893 176.600 0.016 0.000 0.987 14 E CA -0.804 55.608 56.400 0.020 0.000 0.926 14 E CB -0.048 29.660 29.700 0.014 0.000 0.934 14 E HN 0.539 nan 8.360 nan 0.000 0.452 15 P HA 0.142 nan 4.420 nan 0.000 0.277 15 P C 0.748 178.046 177.300 -0.004 0.000 1.271 15 P CA -0.428 62.673 63.100 0.002 0.000 0.795 15 P CB 0.543 32.235 31.700 -0.014 0.000 1.101 16 G N -0.617 108.179 108.800 -0.007 0.000 2.534 16 G HA2 -0.113 3.851 3.960 0.007 0.000 0.217 16 G HA3 -0.113 3.851 3.960 0.007 0.000 0.217 16 G C 0.338 175.227 174.900 -0.019 0.000 1.128 16 G CA 0.315 45.409 45.100 -0.010 0.000 0.784 16 G HN 0.663 nan 8.290 nan 0.000 0.542 17 T N 1.144 115.681 114.554 -0.027 0.000 2.458 17 T HA 0.112 4.466 4.350 0.007 0.000 0.213 17 T C 0.668 175.348 174.700 -0.032 0.000 1.222 17 T CA 0.131 62.209 62.100 -0.037 0.000 3.915 17 T CB -0.869 67.975 68.868 -0.039 0.000 0.566 17 T HN 0.587 nan 8.240 nan 0.000 0.202 18 A N 4.041 126.840 122.820 -0.035 0.000 2.388 18 A HA 0.473 4.797 4.320 0.007 0.000 0.257 18 A C 0.869 178.415 177.584 -0.063 0.000 1.095 18 A CA -0.849 51.163 52.037 -0.042 0.000 0.791 18 A CB 0.455 19.431 19.000 -0.038 0.000 1.029 18 A HN 0.774 nan 8.150 nan 0.000 0.489 19 R N 1.303 121.762 120.500 -0.068 0.000 2.774 19 R HA 0.242 4.586 4.340 0.007 0.000 0.269 19 R C -2.287 173.927 176.300 -0.143 0.000 1.068 19 R CA -1.143 54.901 56.100 -0.093 0.000 1.180 19 R CB -0.451 29.804 30.300 -0.074 0.000 1.077 19 R HN 0.471 nan 8.270 nan 0.000 0.513 20 P HA -0.040 nan 4.420 nan 0.000 0.267 20 P C -0.234 176.903 177.300 -0.271 0.000 1.200 20 P CA 0.294 63.142 63.100 -0.421 0.000 0.772 20 P CB 0.678 31.943 31.700 -0.726 0.000 0.855 21 A N 3.279 125.958 122.820 -0.234 0.000 1.872 21 A HA 0.121 4.445 4.320 0.007 0.000 0.214 21 A C 1.414 178.960 177.584 -0.064 0.000 1.187 21 A CA 1.591 53.567 52.037 -0.102 0.000 0.614 21 A CB -1.330 17.640 19.000 -0.050 0.000 0.826 21 A HN 0.629 nan 8.150 nan 0.000 0.442 22 G N -0.829 107.945 108.800 -0.042 0.000 2.653 22 G HA2 0.414 4.378 3.960 0.007 0.000 0.265 22 G HA3 0.414 4.378 3.960 0.007 0.000 0.265 22 G C -0.030 174.914 174.900 0.074 0.000 1.237 22 G CA -0.709 44.425 45.100 0.056 0.000 0.946 22 G HN 0.457 nan 8.290 nan 0.000 0.522 23 R N -0.773 119.792 120.500 0.109 0.000 2.357 23 R HA 0.308 4.652 4.340 0.007 0.000 0.296 23 R C -0.050 176.453 176.300 0.339 0.000 1.052 23 R CA -0.296 55.907 56.100 0.173 0.000 0.988 23 R CB 0.824 31.207 30.300 0.137 0.000 1.025 23 R HN 0.305 nan 8.270 nan 0.000 0.469 24 L N 3.090 124.464 121.223 0.252 0.000 2.421 24 L HA 0.377 4.721 4.340 0.007 0.000 0.263 24 L C -0.339 176.616 176.870 0.142 0.000 1.122 24 L CA -0.854 54.112 54.840 0.211 0.000 0.804 24 L CB 0.709 42.825 42.059 0.094 0.000 1.150 24 L HN 0.319 nan 8.230 nan 0.000 0.457 25 L N 2.266 123.421 121.223 -0.113 0.000 2.316 25 L HA 0.660 5.004 4.340 0.007 0.000 0.280 25 L C -0.211 176.558 176.870 -0.169 0.000 1.006 25 L CA -0.163 54.448 54.840 -0.382 0.000 0.836 25 L CB 1.061 42.523 42.059 -0.995 0.000 1.221 25 L HN 0.624 nan 8.230 nan 0.000 0.418 26 A N 4.891 127.659 122.820 -0.086 0.000 2.301 26 A HA 0.761 5.085 4.320 0.007 0.000 0.312 26 A C -0.923 176.641 177.584 -0.033 0.000 1.182 26 A CA -0.509 51.499 52.037 -0.048 0.000 0.826 26 A CB 1.084 20.061 19.000 -0.038 0.000 1.134 26 A HN 0.515 nan 8.150 nan 0.000 0.501 27 V N 3.775 123.676 119.914 -0.022 0.000 2.409 27 V HA 0.433 4.557 4.120 0.007 0.000 0.291 27 V C -0.443 175.603 176.094 -0.081 0.000 1.020 27 V CA -0.082 62.208 62.300 -0.016 0.000 0.848 27 V CB 1.038 32.886 31.823 0.040 0.000 0.990 27 V HN 0.740 nan 8.190 nan 0.000 0.430 28 I N 2.875 123.350 120.570 -0.158 0.000 2.569 28 I HA 0.404 4.578 4.170 0.007 0.000 0.296 28 I C 0.291 176.296 176.117 -0.188 0.000 1.028 28 I CA -0.282 60.923 61.300 -0.159 0.000 1.082 28 I CB 2.245 40.148 38.000 -0.161 0.000 1.264 28 I HN 0.537 nan 8.210 nan 0.000 0.429 29 S N 6.660 122.298 115.700 -0.103 0.000 2.416 29 S HA 0.311 4.785 4.470 0.007 0.000 0.287 29 S C -1.424 173.148 174.600 -0.047 0.000 1.139 29 S CA -1.541 56.632 58.200 -0.046 0.000 1.058 29 S CB 0.695 63.938 63.200 0.071 0.000 0.967 29 S HN 0.381 nan 8.310 nan 0.000 0.495 30 P HA -0.080 nan 4.420 nan 0.000 0.218 30 P C 0.311 177.544 177.300 -0.111 0.000 1.148 30 P CA 1.094 64.125 63.100 -0.114 0.000 0.822 30 P CB 0.091 31.714 31.700 -0.129 0.000 0.784 31 D N -1.786 118.544 120.400 -0.116 0.000 2.340 31 D HA -0.018 4.626 4.640 0.007 0.000 0.220 31 D C 0.145 176.104 176.300 -0.568 0.000 1.039 31 D CA 0.654 54.465 54.000 -0.315 0.000 0.866 31 D CB -0.411 40.170 40.800 -0.364 0.000 0.913 31 D HN 0.426 nan 8.370 nan 0.000 0.523 32 H N -0.933 118.105 119.070 -0.053 0.000 2.947 32 H HA 0.448 5.008 4.556 0.007 0.000 0.222 32 H C 0.246 175.520 175.328 -0.090 0.000 1.414 32 H CA -0.185 55.836 56.048 -0.045 0.000 1.224 32 H CB 0.942 30.698 29.762 -0.010 0.000 2.100 32 H HN 0.005 nan 8.280 nan 0.000 0.524 33 A N 0.172 122.957 122.820 -0.058 0.000 2.535 33 A HA 0.390 4.714 4.320 0.007 0.000 0.273 33 A C 1.913 179.417 177.584 -0.134 0.000 1.267 33 A CA 0.421 52.386 52.037 -0.120 0.000 0.940 33 A CB 0.054 18.981 19.000 -0.122 0.000 1.101 33 A HN 0.533 nan 8.150 nan 0.000 0.521 34 G N -0.634 108.107 108.800 -0.098 0.000 3.020 34 G HA2 0.418 4.382 3.960 0.007 0.000 0.217 34 G HA3 0.418 4.382 3.960 0.007 0.000 0.217 34 G C 0.734 175.590 174.900 -0.073 0.000 1.144 34 G CA 0.678 45.730 45.100 -0.080 0.000 0.760 34 G HN 0.701 nan 8.290 nan 0.000 0.548 35 A N 0.949 123.708 122.820 -0.101 0.000 2.445 35 A HA 0.528 4.852 4.320 0.007 0.000 0.242 35 A C -0.729 176.811 177.584 -0.075 0.000 1.075 35 A CA -0.768 51.243 52.037 -0.044 0.000 0.777 35 A CB 0.786 19.797 19.000 0.018 0.000 1.013 35 A HN 0.073 nan 8.150 nan 0.000 0.493 36 P HA -0.185 nan 4.420 nan 0.000 0.216 36 P C 1.504 178.848 177.300 0.074 0.000 1.153 36 P CA 1.902 65.035 63.100 0.056 0.000 0.858 36 P CB -0.127 31.633 31.700 0.099 0.000 0.789 37 W N -0.857 120.451 121.300 0.014 0.000 2.392 37 W HA -0.055 4.610 4.660 0.009 0.000 0.279 37 W C 1.077 177.604 176.519 0.013 0.000 1.225 37 W CA 0.574 57.928 57.345 0.014 0.000 1.233 37 W CB -1.628 27.845 29.460 0.021 0.000 1.122 37 W HN -0.196 nan 8.180 nan 0.000 0.561 38 V N 2.541 121.987 119.914 -0.781 0.000 2.407 38 V HA -0.282 3.842 4.120 0.007 0.000 0.245 38 V C 3.031 178.928 176.094 -0.329 0.000 1.041 38 V CA 3.059 64.887 62.300 -0.787 0.000 1.040 38 V CB -1.240 30.112 31.823 -0.786 0.000 0.671 38 V HN 0.377 nan 8.190 nan 0.000 0.455 39 T N -0.418 114.007 114.554 -0.215 0.000 2.720 39 T HA -0.216 4.138 4.350 0.007 0.000 0.268 39 T C 1.895 176.558 174.700 -0.062 0.000 1.037 39 T CA 1.857 63.889 62.100 -0.113 0.000 1.144 39 T CB -0.481 68.343 68.868 -0.073 0.000 0.864 39 T HN 0.441 nan 8.240 nan 0.000 0.444 40 A N 0.985 123.790 122.820 -0.025 0.000 1.902 40 A HA 0.106 4.430 4.320 0.007 0.000 0.217 40 A C 2.691 180.283 177.584 0.014 0.000 1.181 40 A CA 1.627 53.672 52.037 0.014 0.000 0.623 40 A CB -1.075 17.965 19.000 0.066 0.000 0.818 40 A HN 0.444 nan 8.150 nan 0.000 0.443 41 V N 0.274 120.199 119.914 0.017 0.000 2.261 41 V HA -0.284 3.840 4.120 0.007 0.000 0.246 41 V C 2.585 178.664 176.094 -0.024 0.000 1.047 41 V CA 2.060 64.370 62.300 0.016 0.000 1.015 41 V CB -0.865 30.989 31.823 0.052 0.000 0.642 41 V HN 0.581 nan 8.190 nan 0.000 0.446 42 L N 0.063 121.249 121.223 -0.062 0.000 2.042 42 L HA -0.245 4.099 4.340 0.007 0.000 0.210 42 L C 2.413 179.261 176.870 -0.037 0.000 1.076 42 L CA 2.093 56.899 54.840 -0.056 0.000 0.749 42 L CB -0.721 41.291 42.059 -0.077 0.000 0.893 42 L HN 0.410 nan 8.230 nan 0.000 0.432 43 D N -0.025 120.356 120.400 -0.032 0.000 2.117 43 D HA -0.165 4.479 4.640 0.007 0.000 0.197 43 D C 2.143 178.433 176.300 -0.017 0.000 0.987 43 D CA 1.327 55.313 54.000 -0.022 0.000 0.829 43 D CB 0.131 40.921 40.800 -0.017 0.000 0.961 43 D HN 0.253 nan 8.370 nan 0.000 0.460 44 A N 0.043 122.855 122.820 -0.013 0.000 1.972 44 A HA -0.065 4.259 4.320 0.007 0.000 0.219 44 A C 2.321 179.892 177.584 -0.022 0.000 1.169 44 A CA 0.840 52.869 52.037 -0.014 0.000 0.635 44 A CB -0.648 18.348 19.000 -0.008 0.000 0.810 44 A HN 0.378 nan 8.150 nan 0.000 0.446 45 L N -1.165 120.045 121.223 -0.022 0.000 2.478 45 L HA 0.193 4.537 4.340 0.007 0.000 0.223 45 L C 1.298 178.158 176.870 -0.016 0.000 1.140 45 L CA 0.376 55.203 54.840 -0.023 0.000 0.842 45 L CB -1.093 40.954 42.059 -0.019 0.000 0.953 45 L HN 0.622 nan 8.230 nan 0.000 0.452 46 G N 0.683 109.473 108.800 -0.016 0.000 2.733 46 G HA2 -0.174 3.790 3.960 0.007 0.000 0.686 46 G HA3 -0.174 3.790 3.960 0.007 0.000 0.686 46 G C -2.096 172.800 174.900 -0.007 0.000 1.373 46 G CA -0.333 44.759 45.100 -0.012 0.000 0.838 46 G HN 0.076 nan 8.290 nan 0.000 0.588 47 P HA 0.079 nan 4.420 nan 0.000 0.245 47 P C 0.775 178.080 177.300 0.008 0.000 1.212 47 P CA 1.367 64.466 63.100 -0.002 0.000 0.774 47 P CB 0.211 31.908 31.700 -0.004 0.000 0.999 48 D N -0.119 120.288 120.400 0.011 0.000 2.317 48 D HA -0.056 4.588 4.640 0.007 0.000 0.211 48 D C 0.216 176.544 176.300 0.046 0.000 0.966 48 D CA 0.535 54.548 54.000 0.023 0.000 0.876 48 D CB -0.412 40.398 40.800 0.016 0.000 0.927 48 D HN -0.076 nan 8.370 nan 0.000 0.519 49 T N 0.853 115.432 114.554 0.040 0.000 2.902 49 T HA 0.127 4.481 4.350 0.007 0.000 0.301 49 T C -0.031 174.707 174.700 0.064 0.000 1.012 49 T CA -0.325 61.809 62.100 0.057 0.000 1.151 49 T CB 1.258 70.141 68.868 0.024 0.000 0.946 49 T HN -0.136 nan 8.240 nan 0.000 0.542 50 V N 5.960 125.939 119.914 0.108 0.000 2.546 50 V HA 0.333 4.457 4.120 0.007 0.000 0.284 50 V C 0.621 176.737 176.094 0.037 0.000 1.050 50 V CA -0.378 61.985 62.300 0.106 0.000 0.981 50 V CB 0.949 32.912 31.823 0.233 0.000 0.990 50 V HN 0.729 nan 8.190 nan 0.000 0.474 51 R N 3.983 124.506 120.500 0.038 0.000 2.494 51 R HA 0.549 4.893 4.340 0.007 0.000 0.305 51 R C -1.216 175.125 176.300 0.069 0.000 0.959 51 R CA -0.458 55.651 56.100 0.015 0.000 0.864 51 R CB 2.180 32.469 30.300 -0.018 0.000 1.159 51 R HN 0.676 nan 8.270 nan 0.000 0.446 52 F N 2.087 121.957 119.950 -0.135 0.000 2.477 52 F HA 0.307 4.838 4.527 0.006 0.000 0.335 52 F C -0.449 175.234 175.800 -0.194 0.000 1.130 52 F CA -0.671 57.231 58.000 -0.163 0.000 0.948 52 F CB 1.549 40.427 39.000 -0.203 0.000 1.154 52 F HN 0.428 nan 8.300 nan 0.000 0.439 53 E N 5.253 124.968 120.200 -0.809 0.000 2.130 53 E HA 0.414 4.768 4.350 0.007 0.000 0.284 53 E C -0.648 175.188 176.600 -1.273 0.000 1.018 53 E CA -0.701 55.235 56.400 -0.773 0.000 0.817 53 E CB 1.451 30.903 29.700 -0.413 0.000 1.078 53 E HN 0.655 nan 8.360 nan 0.000 0.396 54 A N 5.122 127.294 122.820 -1.079 0.000 2.527 54 A HA 0.133 4.457 4.320 0.007 0.000 0.313 54 A C -0.170 177.099 177.584 -0.525 0.000 1.410 54 A CA -0.583 50.679 52.037 -1.291 0.000 1.060 54 A CB -0.131 18.198 19.000 -1.120 0.000 1.137 54 A HN 0.468 nan 8.150 nan 0.000 0.542 55 K N 2.416 122.669 120.400 -0.244 0.000 2.258 55 K HA 0.560 4.884 4.320 0.007 0.000 0.284 55 K C 0.941 177.803 176.600 0.437 0.000 1.051 55 K CA 0.158 56.511 56.287 0.110 0.000 0.923 55 K CB 1.108 33.635 32.500 0.044 0.000 1.046 55 K HN 1.110 nan 8.250 nan 0.000 0.474 56 G N 2.399 111.376 108.800 0.294 0.000 2.547 56 G HA2 -0.311 3.653 3.960 0.007 0.000 0.271 56 G HA3 -0.311 3.653 3.960 0.007 0.000 0.271 56 G C -0.309 174.776 174.900 0.308 0.000 1.209 56 G CA 0.147 45.382 45.100 0.225 0.000 0.959 56 G HN 0.814 nan 8.290 nan 0.000 0.563 57 T N -2.739 111.869 114.554 0.091 0.000 3.298 57 T HA 0.530 4.884 4.350 0.007 0.000 0.318 57 T C -1.229 173.234 174.700 -0.395 0.000 1.165 57 T CA 0.410 62.418 62.100 -0.154 0.000 1.557 57 T CB 1.426 70.388 68.868 0.157 0.000 0.898 57 T HN 0.816 nan 8.240 nan 0.000 0.585 58 D N 1.338 121.244 120.400 -0.823 0.000 2.389 58 D HA 0.292 4.936 4.640 0.007 0.000 0.256 58 D C 1.062 176.902 176.300 -0.766 0.000 1.239 58 D CA -0.784 52.885 54.000 -0.553 0.000 0.925 58 D CB 1.667 42.308 40.800 -0.265 0.000 1.145 58 D HN 0.412 nan 8.370 nan 0.000 0.542 59 R N 2.829 123.030 120.500 -0.498 0.000 2.083 59 R HA -0.145 4.199 4.340 0.007 0.000 0.237 59 R C 1.626 177.851 176.300 -0.125 0.000 1.137 59 R CA 1.933 57.840 56.100 -0.322 0.000 0.951 59 R CB 0.015 30.205 30.300 -0.182 0.000 0.851 59 R HN 0.372 nan 8.270 nan 0.000 0.434 60 A N 0.489 123.253 122.820 -0.093 0.000 1.969 60 A HA -0.019 4.305 4.320 0.007 0.000 0.218 60 A C 2.312 179.922 177.584 0.043 0.000 1.169 60 A CA 1.456 53.484 52.037 -0.014 0.000 0.635 60 A CB -0.597 18.394 19.000 -0.015 0.000 0.810 60 A HN 0.570 nan 8.150 nan 0.000 0.445 61 A N -1.014 121.830 122.820 0.040 0.000 1.873 61 A HA -0.097 4.227 4.320 0.007 0.000 0.215 61 A C 1.928 179.712 177.584 0.334 0.000 1.186 61 A CA 1.454 53.587 52.037 0.160 0.000 0.616 61 A CB -0.772 18.330 19.000 0.170 0.000 0.823 61 A HN 0.705 nan 8.150 nan 0.000 0.442 62 W N -0.249 121.122 121.300 0.119 0.000 2.388 62 W HA 0.066 4.730 4.660 0.007 0.000 0.294 62 W C 2.778 179.310 176.519 0.022 0.000 1.212 62 W CA 0.373 57.813 57.345 0.159 0.000 1.271 62 W CB -1.303 28.283 29.460 0.211 0.000 1.126 62 W HN 0.422 nan 8.180 nan 0.000 0.535 63 A N 0.815 123.774 122.820 0.232 0.000 1.892 63 A HA -0.116 4.208 4.320 0.007 0.000 0.218 63 A C 2.270 179.893 177.584 0.066 0.000 1.188 63 A CA 3.120 55.218 52.037 0.101 0.000 0.631 63 A CB -1.226 17.809 19.000 0.059 0.000 0.822 63 A HN 0.156 nan 8.150 nan 0.000 0.447 64 A N -0.905 121.968 122.820 0.089 0.000 1.902 64 A HA -0.222 4.102 4.320 0.007 0.000 0.217 64 A C 2.131 179.751 177.584 0.060 0.000 1.181 64 A CA 1.766 53.845 52.037 0.070 0.000 0.623 64 A CB -0.605 18.442 19.000 0.079 0.000 0.818 64 A HN 0.670 nan 8.150 nan 0.000 0.443 65 Q N -0.493 119.364 119.800 0.094 0.000 2.084 65 Q HA -0.063 4.281 4.340 0.007 0.000 0.202 65 Q C 2.071 178.006 176.000 -0.107 0.000 0.978 65 Q CA 1.446 57.289 55.803 0.066 0.000 0.844 65 Q CB -0.313 28.576 28.738 0.252 0.000 0.898 65 Q HN 0.667 nan 8.270 nan 0.000 0.426 66 L N 0.000 121.084 121.223 -0.232 0.000 2.093 66 L HA -0.152 4.192 4.340 0.007 0.000 0.208 66 L C 2.459 179.271 176.870 -0.097 0.000 1.085 66 L CA 0.862 55.517 54.840 -0.307 0.000 0.755 66 L CB -0.500 41.373 42.059 -0.311 0.000 0.904 66 L HN 0.224 nan 8.230 nan 0.000 0.435 67 A N -0.495 122.301 122.820 -0.039 0.000 1.898 67 A HA -0.271 4.053 4.320 0.007 0.000 0.216 67 A C 2.200 179.794 177.584 0.016 0.000 1.181 67 A CA 1.668 53.706 52.037 0.002 0.000 0.620 67 A CB -0.516 18.490 19.000 0.010 0.000 0.819 67 A HN 0.373 nan 8.150 nan 0.000 0.442 68 Q N -0.178 119.632 119.800 0.016 0.000 2.152 68 Q HA -0.123 4.221 4.340 0.007 0.000 0.206 68 Q C 1.837 177.862 176.000 0.042 0.000 0.985 68 Q CA 1.763 57.584 55.803 0.029 0.000 0.863 68 Q CB -0.440 28.321 28.738 0.037 0.000 0.904 68 Q HN 0.678 nan 8.270 nan 0.000 0.422 69 L N -0.573 120.679 121.223 0.048 0.000 2.109 69 L HA -0.108 4.237 4.340 0.007 0.000 0.207 69 L C 2.466 179.439 176.870 0.172 0.000 1.086 69 L CA 1.033 55.943 54.840 0.117 0.000 0.760 69 L CB -0.253 41.870 42.059 0.106 0.000 0.910 69 L HN 0.152 nan 8.230 nan 0.000 0.437 70 R N 0.569 121.161 120.500 0.153 0.000 2.092 70 R HA -0.183 4.161 4.340 0.007 0.000 0.231 70 R C 2.047 178.350 176.300 0.004 0.000 1.119 70 R CA 1.562 57.740 56.100 0.131 0.000 0.970 70 R CB -0.279 30.091 30.300 0.118 0.000 0.864 70 R HN 0.352 nan 8.270 nan 0.000 0.440 71 E N -0.179 120.029 120.200 0.014 0.000 2.031 71 E HA -0.180 4.174 4.350 0.007 0.000 0.193 71 E C 1.037 177.623 176.600 -0.024 0.000 0.994 71 E CA 1.663 58.059 56.400 -0.007 0.000 0.800 71 E CB -0.038 29.665 29.700 0.005 0.000 0.752 71 E HN 0.366 nan 8.360 nan 0.000 0.447 72 D N 0.473 120.866 120.400 -0.010 0.000 2.097 72 D HA -0.173 4.471 4.640 0.007 0.000 0.195 72 D C 1.702 177.964 176.300 -0.063 0.000 0.989 72 D CA 1.214 55.203 54.000 -0.018 0.000 0.827 72 D CB -0.185 40.622 40.800 0.012 0.000 0.966 72 D HN 0.350 nan 8.370 nan 0.000 0.456 73 E N 0.273 120.400 120.200 -0.122 0.000 2.340 73 E HA 0.258 4.612 4.350 0.007 0.000 0.194 73 E C 1.482 177.884 176.600 -0.329 0.000 0.996 73 E CA 0.602 56.850 56.400 -0.253 0.000 0.869 73 E CB 0.476 29.976 29.700 -0.333 0.000 0.835 73 E HN 0.210 nan 8.360 nan 0.000 0.493 74 G N 3.010 111.643 108.800 -0.279 0.000 2.741 74 G HA2 -0.294 3.670 3.960 0.007 0.000 0.222 74 G HA3 -0.294 3.670 3.960 0.007 0.000 0.222 74 G C -0.373 174.310 174.900 -0.361 0.000 1.364 74 G CA -0.141 44.821 45.100 -0.230 0.000 0.866 74 G HN 0.346 nan 8.290 nan 0.000 0.555 75 E N -0.568 119.504 120.200 -0.214 0.000 2.502 75 E HA 0.349 4.703 4.350 0.007 0.000 0.261 75 E C -0.319 176.124 176.600 -0.262 0.000 0.974 75 E CA 0.058 56.368 56.400 -0.150 0.000 0.936 75 E CB 0.284 29.959 29.700 -0.041 0.000 0.926 75 E HN 0.407 nan 8.360 nan 0.000 0.459 76 F N 0.759 120.720 119.950 0.018 0.000 2.380 76 F HA 0.126 4.657 4.527 0.007 0.000 0.321 76 F C 1.783 177.619 175.800 0.061 0.000 1.103 76 F CA -0.473 57.553 58.000 0.043 0.000 1.067 76 F CB 0.911 39.930 39.000 0.031 0.000 1.265 76 F HN 0.649 nan 8.300 nan 0.000 0.517 77 H N 0.565 119.773 119.070 0.230 0.000 2.436 77 H HA 0.400 4.960 4.556 0.006 0.000 0.294 77 H C -0.298 175.126 175.328 0.160 0.000 1.048 77 H CA 1.144 57.278 56.048 0.143 0.000 1.353 77 H CB 0.380 30.201 29.762 0.099 0.000 1.414 77 H HN 0.557 nan 8.280 nan 0.000 0.536 78 A N 0.033 122.974 122.820 0.202 0.000 2.583 78 A HA 0.444 4.768 4.320 0.007 0.000 0.292 78 A C -1.601 176.058 177.584 0.125 0.000 1.045 78 A CA -0.492 51.643 52.037 0.163 0.000 0.672 78 A CB 1.064 20.223 19.000 0.264 0.000 1.283 78 A HN 0.001 nan 8.150 nan 0.000 0.419 79 V N 0.975 120.943 119.914 0.090 0.000 2.384 79 V HA 0.558 4.682 4.120 0.007 0.000 0.287 79 V C -0.457 175.682 176.094 0.075 0.000 1.020 79 V CA -0.558 61.740 62.300 -0.003 0.000 0.850 79 V CB 1.370 33.156 31.823 -0.062 0.000 0.987 79 V HN 0.736 nan 8.190 nan 0.000 0.436 80 V N 3.795 123.732 119.914 0.040 0.000 2.334 80 V HA 0.398 4.522 4.120 0.007 0.000 0.281 80 V C 0.307 176.434 176.094 0.055 0.000 1.016 80 V CA -0.225 62.119 62.300 0.073 0.000 0.832 80 V CB 1.583 33.425 31.823 0.032 0.000 0.999 80 V HN 0.864 nan 8.190 nan 0.000 0.439 81 S N 5.186 120.940 115.700 0.090 0.000 2.457 81 S HA 0.507 4.981 4.470 0.007 0.000 0.289 81 S C 0.206 174.875 174.600 0.115 0.000 1.163 81 S CA -0.597 57.653 58.200 0.084 0.000 1.078 81 S CB 0.785 64.048 63.200 0.106 0.000 0.987 81 S HN 0.494 nan 8.310 nan 0.000 0.482 82 L N 6.126 127.384 121.223 0.058 0.000 2.818 82 L HA 0.369 4.713 4.340 0.007 0.000 0.243 82 L C 1.348 178.254 176.870 0.059 0.000 1.185 82 L CA 0.535 55.398 54.840 0.037 0.000 0.988 82 L CB -0.895 41.066 42.059 -0.164 0.000 1.292 82 L HN 0.704 nan 8.230 nan 0.000 0.519 83 L N -0.094 121.186 121.223 0.094 0.000 2.201 83 L HA -0.120 4.224 4.340 0.007 0.000 0.212 83 L C 2.579 179.536 176.870 0.146 0.000 1.105 83 L CA 0.933 55.828 54.840 0.092 0.000 0.775 83 L CB -0.511 41.610 42.059 0.103 0.000 0.913 83 L HN 0.375 nan 8.230 nan 0.000 0.440 84 A N 0.494 123.450 122.820 0.226 0.000 2.093 84 A HA -0.244 4.080 4.320 0.007 0.000 0.222 84 A C 2.478 180.234 177.584 0.285 0.000 1.162 84 A CA 1.723 53.916 52.037 0.261 0.000 0.655 84 A CB -0.551 18.638 19.000 0.315 0.000 0.805 84 A HN 0.429 nan 8.150 nan 0.000 0.461 85 A N -0.576 122.443 122.820 0.332 0.000 2.121 85 A HA 0.387 4.711 4.320 0.007 0.000 0.218 85 A C 1.462 179.110 177.584 0.107 0.000 1.154 85 A CA 0.985 53.203 52.037 0.301 0.000 0.679 85 A CB -0.702 18.380 19.000 0.137 0.000 0.795 85 A HN 1.155 nan 8.150 nan 0.000 0.458 86 A N 0.442 123.251 122.820 -0.018 0.000 2.539 86 A HA 0.427 4.751 4.320 0.007 0.000 0.306 86 A C 0.640 178.093 177.584 -0.219 0.000 1.392 86 A CA -0.273 51.544 52.037 -0.367 0.000 1.060 86 A CB -0.194 18.575 19.000 -0.385 0.000 1.134 86 A HN 0.521 nan 8.150 nan 0.000 0.542 87 E N 2.004 122.099 120.200 -0.175 0.000 2.400 87 E HA 0.119 4.473 4.350 0.007 0.000 0.195 87 E C 0.954 177.522 176.600 -0.053 0.000 1.012 87 E CA 0.299 56.671 56.400 -0.045 0.000 0.875 87 E CB 0.323 30.039 29.700 0.026 0.000 0.859 87 E HN 0.804 nan 8.360 nan 0.000 0.498 88 A N 1.561 124.313 122.820 -0.113 0.000 2.462 88 A HA 0.210 4.534 4.320 0.007 0.000 0.243 88 A C 0.227 177.811 177.584 -0.001 0.000 1.076 88 A CA -0.226 51.803 52.037 -0.013 0.000 0.773 88 A CB 0.094 19.130 19.000 0.060 0.000 1.010 88 A HN 0.146 nan 8.150 nan 0.000 0.493 89 L N 2.712 123.956 121.223 0.036 0.000 2.483 89 L HA 0.053 4.397 4.340 0.007 0.000 0.276 89 L C 1.218 178.152 176.870 0.106 0.000 1.213 89 L CA -0.258 54.623 54.840 0.067 0.000 0.843 89 L CB 0.133 42.227 42.059 0.057 0.000 1.107 89 L HN 0.739 nan 8.230 nan 0.000 0.487 90 H N 1.845 120.949 119.070 0.057 0.000 2.964 90 H HA -0.043 4.517 4.556 0.006 0.000 0.328 90 H C 1.087 176.443 175.328 0.047 0.000 1.030 90 H CA 0.611 56.707 56.048 0.080 0.000 1.445 90 H CB 1.361 31.211 29.762 0.146 0.000 1.449 90 H HN 0.822 nan 8.280 nan 0.000 0.581 91 T N 0.617 115.219 114.554 0.081 0.000 2.897 91 T HA -0.132 4.222 4.350 0.007 0.000 0.271 91 T C 0.812 175.574 174.700 0.104 0.000 1.084 91 T CA 1.476 63.622 62.100 0.076 0.000 1.123 91 T CB 0.187 69.055 68.868 0.000 0.000 0.865 91 T HN 0.552 nan 8.240 nan 0.000 0.496 92 D N 0.334 120.871 120.400 0.228 0.000 2.398 92 D HA 0.081 4.725 4.640 0.007 0.000 0.210 92 D C -0.045 175.918 176.300 -0.562 0.000 1.094 92 D CA 0.168 54.045 54.000 -0.204 0.000 0.839 92 D CB 0.241 40.818 40.800 -0.373 0.000 0.963 92 D HN 0.555 nan 8.370 nan 0.000 0.506 93 H N -0.243 118.858 119.070 0.051 0.000 2.808 93 H HA 0.272 4.832 4.556 0.007 0.000 0.268 93 H C 1.108 176.449 175.328 0.021 0.000 1.306 93 H CA -0.347 55.675 56.048 -0.044 0.000 1.565 93 H CB 1.032 30.671 29.762 -0.205 0.000 1.632 93 H HN -0.043 nan 8.280 nan 0.000 0.525 94 G N 0.914 109.769 108.800 0.091 0.000 2.776 94 G HA2 -0.128 3.836 3.960 0.007 0.000 0.209 94 G HA3 -0.128 3.836 3.960 0.007 0.000 0.209 94 G C 0.868 175.794 174.900 0.043 0.000 1.145 94 G CA 0.236 45.379 45.100 0.071 0.000 0.791 94 G HN 0.336 nan 8.290 nan 0.000 0.530 95 S N -0.597 115.123 115.700 0.034 0.000 2.540 95 S HA 0.261 4.735 4.470 0.007 0.000 0.218 95 S C 0.199 174.787 174.600 -0.021 0.000 0.977 95 S CA -0.296 57.892 58.200 -0.020 0.000 0.918 95 S CB 0.985 64.163 63.200 -0.037 0.000 0.806 95 S HN 0.052 nan 8.310 nan 0.000 0.496 96 V N 4.003 123.937 119.914 0.033 0.000 2.347 96 V HA 0.354 4.478 4.120 0.007 0.000 0.280 96 V C -2.683 173.457 176.094 0.077 0.000 1.021 96 V CA -2.412 59.908 62.300 0.035 0.000 0.847 96 V CB 1.071 32.907 31.823 0.022 0.000 0.990 96 V HN 0.026 nan 8.190 nan 0.000 0.444 97 P HA 0.061 nan 4.420 nan 0.000 0.266 97 P C 0.794 178.148 177.300 0.089 0.000 1.195 97 P CA -0.194 62.938 63.100 0.052 0.000 0.768 97 P CB 0.799 32.522 31.700 0.038 0.000 0.838 98 L N 4.564 125.830 121.223 0.071 0.000 2.013 98 L HA -0.163 4.181 4.340 0.007 0.000 0.212 98 L C 2.253 179.185 176.870 0.104 0.000 1.073 98 L CA 2.741 57.637 54.840 0.093 0.000 0.753 98 L CB -1.573 40.476 42.059 -0.016 0.000 0.890 98 L HN 0.540 nan 8.230 nan 0.000 0.432 99 G N -0.846 107.984 108.800 0.050 0.000 2.450 99 G HA2 -0.289 3.675 3.960 0.007 0.000 0.220 99 G HA3 -0.289 3.675 3.960 0.007 0.000 0.220 99 G C 1.583 176.559 174.900 0.127 0.000 1.130 99 G CA 0.995 46.149 45.100 0.091 0.000 0.760 99 G HN 0.436 nan 8.290 nan 0.000 0.557 100 L N 1.028 122.319 121.223 0.113 0.000 2.044 100 L HA 0.293 4.637 4.340 0.007 0.000 0.205 100 L C 3.077 180.011 176.870 0.106 0.000 1.075 100 L CA 1.992 56.896 54.840 0.108 0.000 0.747 100 L CB -0.648 41.462 42.059 0.085 0.000 0.903 100 L HN 0.204 nan 8.230 nan 0.000 0.435 101 A N -0.767 122.122 122.820 0.115 0.000 1.873 101 A HA -0.303 4.021 4.320 0.007 0.000 0.218 101 A C 2.204 179.890 177.584 0.170 0.000 1.193 101 A CA 2.149 54.254 52.037 0.112 0.000 0.629 101 A CB -0.771 18.347 19.000 0.196 0.000 0.826 101 A HN 0.665 nan 8.150 nan 0.000 0.447 102 Q N -1.170 118.784 119.800 0.256 0.000 2.291 102 Q HA -0.096 4.248 4.340 0.007 0.000 0.205 102 Q C 2.005 178.220 176.000 0.357 0.000 0.970 102 Q CA 1.611 57.663 55.803 0.415 0.000 0.876 102 Q CB -0.255 28.732 28.738 0.416 0.000 0.935 102 Q HN 0.701 nan 8.270 nan 0.000 0.455 103 T N 1.081 115.773 114.554 0.229 0.000 2.896 103 T HA -0.082 4.272 4.350 0.007 0.000 0.263 103 T C 1.703 176.505 174.700 0.170 0.000 1.050 103 T CA 0.500 62.719 62.100 0.198 0.000 1.140 103 T CB -0.135 68.831 68.868 0.164 0.000 0.877 103 T HN 0.126 nan 8.240 nan 0.000 0.457 104 L N 1.275 122.572 121.223 0.124 0.000 2.013 104 L HA -0.063 4.281 4.340 0.007 0.000 0.212 104 L C 2.041 178.964 176.870 0.089 0.000 1.073 104 L CA 1.697 56.580 54.840 0.071 0.000 0.753 104 L CB -0.703 41.373 42.059 0.027 0.000 0.890 104 L HN 0.171 nan 8.230 nan 0.000 0.432 105 L N -1.169 120.130 121.223 0.128 0.000 2.156 105 L HA -0.130 4.214 4.340 0.007 0.000 0.208 105 L C 2.480 179.526 176.870 0.293 0.000 1.095 105 L CA 1.237 56.132 54.840 0.091 0.000 0.770 105 L CB -1.296 40.661 42.059 -0.171 0.000 0.914 105 L HN 0.391 nan 8.230 nan 0.000 0.439 106 L N 0.656 122.155 121.223 0.461 0.000 1.989 106 L HA -0.171 4.173 4.340 0.007 0.000 0.211 106 L C 2.626 179.602 176.870 0.177 0.000 1.071 106 L CA 2.211 57.270 54.840 0.365 0.000 0.749 106 L CB -0.774 41.443 42.059 0.263 0.000 0.890 106 L HN 0.181 nan 8.230 nan 0.000 0.431 107 A N -1.378 121.515 122.820 0.123 0.000 1.933 107 A HA -0.258 4.066 4.320 0.007 0.000 0.218 107 A C 2.192 179.754 177.584 -0.037 0.000 1.175 107 A CA 1.885 53.942 52.037 0.033 0.000 0.628 107 A CB -0.555 18.457 19.000 0.020 0.000 0.814 107 A HN 0.692 nan 8.150 nan 0.000 0.444 108 Q N -0.907 118.893 119.800 0.000 0.000 2.049 108 Q HA -0.024 4.320 4.340 0.007 0.000 0.198 108 Q C 2.394 178.390 176.000 -0.006 0.000 0.971 108 Q CA 1.299 57.084 55.803 -0.031 0.000 0.833 108 Q CB -0.315 28.415 28.738 -0.014 0.000 0.896 108 Q HN 0.670 nan 8.270 nan 0.000 0.434 109 A N 0.510 123.371 122.820 0.068 0.000 2.014 109 A HA -0.072 4.252 4.320 0.007 0.000 0.218 109 A C 2.000 179.606 177.584 0.036 0.000 1.163 109 A CA 0.684 52.772 52.037 0.085 0.000 0.652 109 A CB -0.421 18.713 19.000 0.224 0.000 0.808 109 A HN 0.247 nan 8.150 nan 0.000 0.449 110 L N -0.739 120.494 121.223 0.016 0.000 2.027 110 L HA -0.111 4.233 4.340 0.007 0.000 0.206 110 L C 2.864 179.712 176.870 -0.036 0.000 1.074 110 L CA 1.131 55.957 54.840 -0.022 0.000 0.745 110 L CB -0.816 41.230 42.059 -0.023 0.000 0.898 110 L HN 0.472 nan 8.230 nan 0.000 0.433 111 G N -0.245 108.512 108.800 -0.073 0.000 2.446 111 G HA2 -0.291 3.673 3.960 0.007 0.000 0.217 111 G HA3 -0.291 3.673 3.960 0.007 0.000 0.217 111 G C 1.138 176.016 174.900 -0.036 0.000 1.168 111 G CA 1.056 46.104 45.100 -0.086 0.000 0.771 111 G HN 0.302 nan 8.290 nan 0.000 0.551 112 D N 0.993 121.379 120.400 -0.024 0.000 2.123 112 D HA -0.046 4.598 4.640 0.007 0.000 0.196 112 D C 2.621 178.921 176.300 -0.000 0.000 0.992 112 D CA 1.339 55.335 54.000 -0.006 0.000 0.833 112 D CB -0.357 40.445 40.800 0.003 0.000 0.954 112 D HN 0.348 nan 8.370 nan 0.000 0.455 113 A N -0.384 122.435 122.820 -0.001 0.000 2.251 113 A HA 0.409 4.733 4.320 0.007 0.000 0.209 113 A C 1.680 179.267 177.584 0.005 0.000 1.187 113 A CA 0.928 52.966 52.037 0.001 0.000 0.823 113 A CB -0.259 18.736 19.000 -0.008 0.000 0.846 113 A HN 0.236 nan 8.150 nan 0.000 0.486 114 G N -0.494 108.308 108.800 0.003 0.000 2.198 114 G HA2 -0.211 3.753 3.960 0.007 0.000 0.260 114 G HA3 -0.211 3.753 3.960 0.007 0.000 0.260 114 G C -0.001 174.912 174.900 0.022 0.000 1.025 114 G CA 0.300 45.406 45.100 0.010 0.000 0.769 114 G HN 0.443 nan 8.290 nan 0.000 0.507 115 L N 1.179 122.414 121.223 0.021 0.000 2.315 115 L HA 0.308 4.652 4.340 0.007 0.000 0.283 115 L C 1.787 178.680 176.870 0.038 0.000 1.089 115 L CA 0.573 55.443 54.840 0.050 0.000 0.833 115 L CB 0.788 42.874 42.059 0.045 0.000 1.170 115 L HN 0.377 nan 8.230 nan 0.000 0.442 116 T N -1.303 113.281 114.554 0.051 0.000 3.060 116 T HA 0.210 4.564 4.350 0.007 0.000 0.249 116 T C 0.864 175.585 174.700 0.034 0.000 1.079 116 T CA -0.077 62.044 62.100 0.034 0.000 1.013 116 T CB 0.380 69.264 68.868 0.028 0.000 0.975 116 T HN 0.552 nan 8.240 nan 0.000 0.518 117 A N 2.976 125.832 122.820 0.061 0.000 2.483 117 A HA 0.505 4.829 4.320 0.007 0.000 0.238 117 A C -2.415 175.177 177.584 0.012 0.000 1.070 117 A CA -1.245 50.821 52.037 0.048 0.000 0.770 117 A CB -0.288 18.785 19.000 0.122 0.000 1.008 117 A HN 0.226 nan 8.150 nan 0.000 0.497 118 P HA 0.200 nan 4.420 nan 0.000 0.268 118 P C -0.610 176.628 177.300 -0.104 0.000 1.204 118 P CA -0.115 62.927 63.100 -0.097 0.000 0.768 118 P CB 0.417 32.028 31.700 -0.148 0.000 0.842 119 L N 5.227 126.331 121.223 -0.199 0.000 2.292 119 L HA 0.488 4.832 4.340 0.007 0.000 0.284 119 L C -1.364 175.138 176.870 -0.613 0.000 1.065 119 L CA -0.174 54.552 54.840 -0.190 0.000 0.806 119 L CB 0.052 42.121 42.059 0.016 0.000 1.175 119 L HN 0.313 nan 8.230 nan 0.000 0.431 120 W N 4.626 125.724 121.300 -0.337 0.000 2.587 120 W HA 0.563 5.227 4.660 0.006 0.000 0.324 120 W C -0.664 175.709 176.519 -0.244 0.000 1.040 120 W CA -0.543 56.552 57.345 -0.417 0.000 1.222 120 W CB 1.756 31.065 29.460 -0.252 0.000 1.381 120 W HN 0.775 nan 8.180 nan 0.000 0.483 121 C N 3.425 122.700 119.300 -0.042 0.000 2.298 121 C HA 0.786 5.250 4.460 0.007 0.000 0.323 121 C C -0.187 174.854 174.990 0.086 0.000 1.284 121 C CA -1.221 57.834 59.018 0.061 0.000 1.577 121 C CB -0.812 26.972 27.740 0.073 0.000 2.249 121 C HN 0.554 nan 8.230 nan 0.000 0.497 122 L N 4.506 125.843 121.223 0.191 0.000 2.307 122 L HA 0.734 5.078 4.340 0.007 0.000 0.282 122 L C 0.772 177.788 176.870 0.244 0.000 1.051 122 L CA 0.170 55.157 54.840 0.246 0.000 0.804 122 L CB 1.785 44.079 42.059 0.392 0.000 1.197 122 L HN 0.979 nan 8.230 nan 0.000 0.431 123 T N -0.020 114.568 114.554 0.057 0.000 2.887 123 T HA 0.719 5.073 4.350 0.007 0.000 0.292 123 T C -0.660 173.654 174.700 -0.644 0.000 1.087 123 T CA -1.002 61.008 62.100 -0.150 0.000 1.009 123 T CB 2.532 71.550 68.868 0.250 0.000 1.203 123 T HN 0.513 nan 8.240 nan 0.000 0.518 124 R N -0.270 119.748 120.500 -0.804 0.000 2.507 124 R HA 0.593 4.937 4.340 0.007 0.000 0.298 124 R C 0.583 176.649 176.300 -0.389 0.000 1.087 124 R CA 0.460 56.065 56.100 -0.826 0.000 0.917 124 R CB 0.396 29.726 30.300 -1.616 0.000 1.173 124 R HN 1.565 nan 8.270 nan 0.000 0.472 125 G N 2.059 110.696 108.800 -0.272 0.000 2.147 125 G HA2 -0.238 3.726 3.960 0.007 0.000 0.244 125 G HA3 -0.238 3.726 3.960 0.007 0.000 0.244 125 G C 0.560 175.355 174.900 -0.175 0.000 1.005 125 G CA 0.217 45.199 45.100 -0.196 0.000 0.713 125 G HN 0.922 nan 8.290 nan 0.000 0.515 126 G N -1.223 107.474 108.800 -0.171 0.000 2.838 126 G HA2 0.504 4.468 3.960 0.007 0.000 0.210 126 G HA3 0.504 4.468 3.960 0.007 0.000 0.210 126 G C 0.738 175.400 174.900 -0.397 0.000 1.153 126 G CA 1.431 46.433 45.100 -0.163 0.000 0.778 126 G HN 1.738 nan 8.290 nan 0.000 0.539 127 V N -3.553 116.078 119.914 -0.470 0.000 3.040 127 V HA 0.871 4.995 4.120 0.007 0.000 0.312 127 V C -0.542 175.290 176.094 -0.436 0.000 1.115 127 V CA -1.356 60.619 62.300 -0.542 0.000 0.998 127 V CB 1.643 32.978 31.823 -0.814 0.000 1.042 127 V HN 0.268 nan 8.190 nan 0.000 0.433 128 A N 2.248 124.859 122.820 -0.348 0.000 2.341 128 A HA 0.912 5.236 4.320 0.007 0.000 0.326 128 A C 0.212 177.468 177.584 -0.548 0.000 1.402 128 A CA 0.095 51.934 52.037 -0.330 0.000 0.957 128 A CB -0.103 18.802 19.000 -0.158 0.000 1.151 128 A HN 2.160 nan 8.150 nan 0.000 0.533 129 A N 2.475 124.833 122.820 -0.771 0.000 2.357 129 A HA 0.867 5.191 4.320 0.007 0.000 0.295 129 A C 0.333 177.629 177.584 -0.480 0.000 1.121 129 A CA 0.090 51.461 52.037 -1.110 0.000 0.742 129 A CB 0.476 18.372 19.000 -1.840 0.000 1.181 129 A HN 2.711 nan 8.150 nan 0.000 0.454 130 G N 2.203 110.858 108.800 -0.242 0.000 2.663 130 G HA2 0.119 4.083 3.960 0.007 0.000 0.686 130 G HA3 0.119 4.083 3.960 0.007 0.000 0.686 130 G C -0.435 174.415 174.900 -0.083 0.000 1.246 130 G CA -0.630 44.403 45.100 -0.113 0.000 0.795 130 G HN 1.506 nan 8.290 nan 0.000 0.627 131 R N 0.893 121.369 120.500 -0.040 0.000 2.491 131 R HA 0.525 4.869 4.340 0.007 0.000 0.283 131 R C 1.226 177.498 176.300 -0.046 0.000 1.072 131 R CA 0.401 56.484 56.100 -0.028 0.000 1.048 131 R CB 0.586 30.880 30.300 -0.009 0.000 0.983 131 R HN 2.644 nan 8.270 nan 0.000 0.450 132 G N 1.621 110.394 108.800 -0.045 0.000 2.168 132 G HA2 -0.315 3.649 3.960 0.007 0.000 0.257 132 G HA3 -0.315 3.649 3.960 0.007 0.000 0.257 132 G C -0.190 174.665 174.900 -0.074 0.000 0.997 132 G CA 0.630 45.699 45.100 -0.053 0.000 0.708 132 G HN 0.803 nan 8.290 nan 0.000 0.520 133 D N -0.329 120.011 120.400 -0.100 0.000 2.382 133 D HA 0.431 5.075 4.640 0.007 0.000 0.245 133 D C 0.442 176.668 176.300 -0.123 0.000 1.120 133 D CA -0.025 53.895 54.000 -0.134 0.000 0.890 133 D CB 1.226 41.901 40.800 -0.207 0.000 1.201 133 D HN 0.127 nan 8.370 nan 0.000 0.433 134 V N 5.086 124.931 119.914 -0.116 0.000 2.370 134 V HA 0.199 4.323 4.120 0.007 0.000 0.283 134 V C 0.235 176.269 176.094 -0.099 0.000 1.023 134 V CA -0.845 61.398 62.300 -0.095 0.000 0.857 134 V CB 1.382 33.161 31.823 -0.073 0.000 0.985 134 V HN 0.501 nan 8.190 nan 0.000 0.443 135 L N 5.339 126.511 121.223 -0.085 0.000 2.363 135 L HA 0.189 4.533 4.340 0.007 0.000 0.286 135 L C 1.522 178.426 176.870 0.057 0.000 1.106 135 L CA 0.115 54.909 54.840 -0.077 0.000 0.859 135 L CB 1.157 43.158 42.059 -0.097 0.000 1.223 135 L HN 0.892 nan 8.230 nan 0.000 0.446 136 S N 0.884 116.588 115.700 0.008 0.000 2.478 136 S HA 0.025 4.499 4.470 0.007 0.000 0.222 136 S C 0.858 175.416 174.600 -0.070 0.000 1.008 136 S CA 0.149 58.383 58.200 0.057 0.000 0.928 136 S CB 0.226 63.427 63.200 0.001 0.000 0.781 136 S HN 0.534 nan 8.310 nan 0.000 0.518 137 S N 2.310 117.933 115.700 -0.128 0.000 2.389 137 S HA 0.481 4.955 4.470 0.007 0.000 0.201 137 S C -2.348 172.165 174.600 -0.146 0.000 1.422 137 S CA -1.480 56.634 58.200 -0.143 0.000 1.216 137 S CB 1.115 64.280 63.200 -0.058 0.000 1.130 137 S HN 0.043 nan 8.310 nan 0.000 0.465 138 P HA -0.140 nan 4.420 nan 0.000 0.216 138 P C 1.801 179.111 177.300 0.017 0.000 1.150 138 P CA 1.389 64.340 63.100 -0.248 0.000 0.843 138 P CB -0.330 31.041 31.700 -0.548 0.000 0.787 139 V N -1.710 118.293 119.914 0.148 0.000 2.343 139 V HA -0.279 3.845 4.120 0.007 0.000 0.247 139 V C 2.238 178.431 176.094 0.166 0.000 1.051 139 V CA 1.752 64.182 62.300 0.218 0.000 1.036 139 V CB -1.972 29.927 31.823 0.127 0.000 0.654 139 V HN 0.072 nan 8.190 nan 0.000 0.451 140 Q N 0.952 120.823 119.800 0.120 0.000 2.224 140 Q HA 0.001 4.345 4.340 0.007 0.000 0.203 140 Q C 2.376 178.521 176.000 0.242 0.000 0.970 140 Q CA 1.338 57.241 55.803 0.166 0.000 0.865 140 Q CB -0.534 28.279 28.738 0.125 0.000 0.922 140 Q HN 0.800 nan 8.270 nan 0.000 0.445 141 G N 0.922 109.808 108.800 0.144 0.000 2.450 141 G HA2 -0.254 3.710 3.960 0.007 0.000 0.220 141 G HA3 -0.254 3.710 3.960 0.007 0.000 0.220 141 G C 1.455 176.494 174.900 0.232 0.000 1.130 141 G CA 0.834 46.012 45.100 0.130 0.000 0.760 141 G HN 0.417 nan 8.290 nan 0.000 0.557 142 A N 0.352 123.310 122.820 0.231 0.000 2.019 142 A HA 0.097 4.421 4.320 0.007 0.000 0.219 142 A C 2.241 179.963 177.584 0.230 0.000 1.164 142 A CA 1.129 53.300 52.037 0.225 0.000 0.644 142 A CB -0.301 18.825 19.000 0.210 0.000 0.805 142 A HN 0.325 nan 8.150 nan 0.000 0.449 143 L N -1.544 119.838 121.223 0.264 0.000 2.191 143 L HA -0.108 4.236 4.340 0.007 0.000 0.212 143 L C 1.905 178.911 176.870 0.227 0.000 1.103 143 L CA 1.222 56.197 54.840 0.225 0.000 0.769 143 L CB -1.388 40.801 42.059 0.216 0.000 0.908 143 L HN 0.647 nan 8.230 nan 0.000 0.438 144 W N -0.431 120.948 121.300 0.131 0.000 2.402 144 W HA -0.017 4.648 4.660 0.008 0.000 0.286 144 W C 2.489 179.070 176.519 0.103 0.000 1.221 144 W CA 1.189 58.624 57.345 0.151 0.000 1.257 144 W CB -1.190 28.365 29.460 0.158 0.000 1.120 144 W HN 0.210 nan 8.180 nan 0.000 0.551 145 G N 0.375 109.337 108.800 0.269 0.000 2.414 145 G HA2 -0.252 3.712 3.960 0.007 0.000 0.215 145 G HA3 -0.252 3.712 3.960 0.007 0.000 0.215 145 G C 1.485 176.430 174.900 0.075 0.000 1.188 145 G CA 1.135 46.321 45.100 0.143 0.000 0.783 145 G HN 0.212 nan 8.290 nan 0.000 0.537 146 L N 1.615 122.875 121.223 0.061 0.000 2.042 146 L HA 0.108 4.452 4.340 0.007 0.000 0.210 146 L C 2.760 179.556 176.870 -0.123 0.000 1.076 146 L CA 2.495 57.330 54.840 -0.009 0.000 0.749 146 L CB -0.947 41.123 42.059 0.019 0.000 0.893 146 L HN 0.168 nan 8.230 nan 0.000 0.432 147 G N -0.915 107.822 108.800 -0.104 0.000 2.422 147 G HA2 -0.255 3.709 3.960 0.007 0.000 0.218 147 G HA3 -0.255 3.709 3.960 0.007 0.000 0.218 147 G C 1.746 176.324 174.900 -0.536 0.000 1.146 147 G CA 0.749 45.650 45.100 -0.333 0.000 0.769 147 G HN 0.404 nan 8.290 nan 0.000 0.547 148 R N -0.357 120.050 120.500 -0.154 0.000 2.096 148 R HA -0.030 4.314 4.340 0.007 0.000 0.235 148 R C 2.624 178.785 176.300 -0.232 0.000 1.127 148 R CA 1.162 57.205 56.100 -0.094 0.000 0.968 148 R CB -0.403 29.965 30.300 0.114 0.000 0.861 148 R HN 0.327 nan 8.270 nan 0.000 0.440 149 V N 1.170 120.963 119.914 -0.202 0.000 2.453 149 V HA -0.184 3.940 4.120 0.007 0.000 0.247 149 V C 2.170 178.072 176.094 -0.320 0.000 1.048 149 V CA 1.459 63.652 62.300 -0.177 0.000 1.049 149 V CB -0.323 31.458 31.823 -0.070 0.000 0.672 149 V HN 0.266 nan 8.190 nan 0.000 0.457 150 I N 1.082 121.356 120.570 -0.494 0.000 2.264 150 I HA -0.200 3.974 4.170 0.007 0.000 0.248 150 I C 2.542 178.225 176.117 -0.724 0.000 1.111 150 I CA 1.744 62.695 61.300 -0.582 0.000 1.382 150 I CB -0.855 36.663 38.000 -0.804 0.000 1.060 150 I HN 0.411 nan 8.210 nan 0.000 0.418 151 G N 0.866 108.999 108.800 -1.113 0.000 2.422 151 G HA2 -0.143 3.821 3.960 0.007 0.000 0.218 151 G HA3 -0.143 3.821 3.960 0.007 0.000 0.218 151 G C 1.682 176.366 174.900 -0.359 0.000 1.140 151 G CA 0.423 45.042 45.100 -0.803 0.000 0.775 151 G HN 0.294 nan 8.290 nan 0.000 0.545 152 L N -0.369 120.643 121.223 -0.350 0.000 2.179 152 L HA 0.129 4.473 4.340 0.007 0.000 0.208 152 L C 2.704 179.405 176.870 -0.282 0.000 1.096 152 L CA 0.795 55.452 54.840 -0.305 0.000 0.779 152 L CB -0.123 41.770 42.059 -0.276 0.000 0.922 152 L HN 0.219 nan 8.230 nan 0.000 0.443 153 E N -1.222 118.786 120.200 -0.320 0.000 2.216 153 E HA 0.015 4.369 4.350 0.007 0.000 0.192 153 E C 0.411 176.601 176.600 -0.683 0.000 0.973 153 E CA 0.452 56.579 56.400 -0.456 0.000 0.851 153 E CB 0.406 29.820 29.700 -0.478 0.000 0.804 153 E HN 0.491 nan 8.360 nan 0.000 0.477 154 H N 0.406 119.393 119.070 -0.138 0.000 2.500 154 H HA 0.149 4.708 4.556 0.006 0.000 0.243 154 H C -1.786 173.520 175.328 -0.037 0.000 1.318 154 H CA -1.557 54.446 56.048 -0.075 0.000 1.077 154 H CB 0.541 30.270 29.762 -0.054 0.000 1.748 154 H HN 0.136 nan 8.280 nan 0.000 0.556 155 P HA -0.193 nan 4.420 nan 0.000 0.217 155 P C 0.724 178.061 177.300 0.062 0.000 1.148 155 P CA 1.309 64.418 63.100 0.016 0.000 0.834 155 P CB 0.515 32.184 31.700 -0.051 0.000 0.783 156 D N -0.425 120.007 120.400 0.054 0.000 2.347 156 D HA -0.035 4.609 4.640 0.007 0.000 0.213 156 D C 1.619 177.948 176.300 0.048 0.000 0.985 156 D CA 0.550 54.575 54.000 0.042 0.000 0.879 156 D CB 0.020 40.838 40.800 0.030 0.000 0.919 156 D HN 0.493 nan 8.370 nan 0.000 0.526 157 R N -0.464 120.087 120.500 0.086 0.000 2.613 157 R HA 0.153 4.497 4.340 0.007 0.000 0.361 157 R C -0.038 176.331 176.300 0.114 0.000 1.072 157 R CA -0.561 55.579 56.100 0.067 0.000 1.089 157 R CB -0.191 30.140 30.300 0.051 0.000 1.343 157 R HN 0.011 nan 8.270 nan 0.000 0.571 158 W N 1.130 122.343 121.300 -0.145 0.000 2.475 158 W HA 0.428 5.092 4.660 0.006 0.000 0.317 158 W C -0.390 175.871 176.519 -0.430 0.000 1.046 158 W CA -0.612 56.580 57.345 -0.255 0.000 1.215 158 W CB 1.974 31.315 29.460 -0.198 0.000 1.335 158 W HN 0.199 nan 8.180 nan 0.000 0.471 159 G N 2.891 110.853 108.800 -1.397 0.000 2.518 159 G HA2 0.393 4.357 3.960 0.007 0.000 0.213 159 G HA3 0.393 4.357 3.960 0.007 0.000 0.213 159 G C 0.313 173.576 174.900 -2.728 0.000 1.226 159 G CA 0.969 44.764 45.100 -2.175 0.000 0.822 159 G HN 0.842 nan 8.290 nan 0.000 0.546 160 G N -1.575 105.422 108.800 -3.005 0.000 2.367 160 G HA2 0.374 4.338 3.960 0.007 0.000 0.272 160 G HA3 0.374 4.338 3.960 0.007 0.000 0.272 160 G C -1.967 172.401 174.900 -0.887 0.000 1.271 160 G CA -0.793 43.275 45.100 -1.720 0.000 0.893 160 G HN 0.468 nan 8.290 nan 0.000 0.485 161 L N 0.333 121.367 121.223 -0.316 0.000 2.362 161 L HA 0.793 5.137 4.340 0.007 0.000 0.271 161 L C -0.561 176.280 176.870 -0.048 0.000 1.002 161 L CA -0.768 53.832 54.840 -0.400 0.000 0.818 161 L CB 2.088 43.400 42.059 -1.244 0.000 1.298 161 L HN 0.468 nan 8.230 nan 0.000 0.420 162 I N 1.473 122.105 120.570 0.103 0.000 2.534 162 I HA 0.240 4.414 4.170 0.007 0.000 0.288 162 I C -1.148 175.162 176.117 0.323 0.000 1.077 162 I CA -0.500 60.970 61.300 0.283 0.000 1.051 162 I CB 2.296 40.387 38.000 0.152 0.000 1.234 162 I HN 0.494 nan 8.210 nan 0.000 0.425 163 D N 6.145 126.807 120.400 0.436 0.000 2.277 163 D HA 0.464 5.108 4.640 0.007 0.000 0.249 163 D C -0.572 175.736 176.300 0.013 0.000 1.134 163 D CA -0.100 54.023 54.000 0.205 0.000 0.863 163 D CB 1.063 41.915 40.800 0.086 0.000 1.143 163 D HN 0.308 nan 8.370 nan 0.000 0.458 164 L N 5.503 126.668 121.223 -0.097 0.000 2.418 164 L HA 0.429 4.773 4.340 0.007 0.000 0.265 164 L C -1.683 175.107 176.870 -0.133 0.000 1.143 164 L CA -1.636 53.148 54.840 -0.093 0.000 0.809 164 L CB 0.965 42.990 42.059 -0.057 0.000 1.124 164 L HN 0.414 nan 8.230 nan 0.000 0.456 165 P HA 0.048 nan 4.420 nan 0.000 0.277 165 P C 0.100 177.368 177.300 -0.054 0.000 1.271 165 P CA -0.364 62.691 63.100 -0.074 0.000 0.795 165 P CB 0.933 32.606 31.700 -0.045 0.000 1.101 166 E N 0.123 120.294 120.200 -0.047 0.000 2.049 166 E HA -0.103 4.251 4.350 0.007 0.000 0.198 166 E C 0.052 176.669 176.600 0.028 0.000 1.007 166 E CA 1.658 58.049 56.400 -0.016 0.000 0.809 166 E CB -0.807 28.883 29.700 -0.018 0.000 0.749 166 E HN 0.395 nan 8.360 nan 0.000 0.450 167 T N 0.844 115.410 114.554 0.020 0.000 2.770 167 T HA 0.385 4.739 4.350 0.007 0.000 0.283 167 T C -0.595 174.129 174.700 0.039 0.000 0.988 167 T CA -0.510 61.612 62.100 0.037 0.000 0.957 167 T CB 1.937 70.819 68.868 0.024 0.000 0.930 167 T HN -0.213 nan 8.240 nan 0.000 0.443 168 V N 5.922 125.874 119.914 0.063 0.000 2.276 168 V HA 0.170 4.294 4.120 0.007 0.000 0.249 168 V C 0.476 176.593 176.094 0.038 0.000 1.160 168 V CA -0.822 61.514 62.300 0.060 0.000 1.042 168 V CB -0.672 31.212 31.823 0.100 0.000 1.224 168 V HN 0.876 nan 8.190 nan 0.000 0.496 169 D N 2.242 122.656 120.400 0.023 0.000 2.451 169 D HA 0.071 4.715 4.640 0.007 0.000 0.259 169 D C 1.459 177.765 176.300 0.010 0.000 1.201 169 D CA -0.161 53.848 54.000 0.014 0.000 1.028 169 D CB 0.859 41.664 40.800 0.009 0.000 1.095 169 D HN 0.206 nan 8.370 nan 0.000 0.539 170 T N -1.619 112.938 114.554 0.005 0.000 2.867 170 T HA -0.180 4.174 4.350 0.007 0.000 0.268 170 T C 1.777 176.476 174.700 -0.001 0.000 1.057 170 T CA 1.645 63.746 62.100 0.001 0.000 1.136 170 T CB -0.305 68.562 68.868 -0.001 0.000 0.874 170 T HN 0.453 nan 8.240 nan 0.000 0.466 171 R N 0.027 120.527 120.500 -0.000 0.000 2.091 171 R HA -0.010 4.334 4.340 0.007 0.000 0.238 171 R C 2.581 178.880 176.300 -0.002 0.000 1.136 171 R CA 1.532 57.631 56.100 -0.002 0.000 0.959 171 R CB -0.607 29.692 30.300 -0.001 0.000 0.856 171 R HN 0.459 nan 8.270 nan 0.000 0.437 172 A N 0.526 123.347 122.820 0.002 0.000 1.898 172 A HA -0.029 4.295 4.320 0.007 0.000 0.216 172 A C 2.339 179.924 177.584 0.003 0.000 1.181 172 A CA 1.447 53.487 52.037 0.004 0.000 0.620 172 A CB -0.727 18.280 19.000 0.013 0.000 0.819 172 A HN 0.522 nan 8.150 nan 0.000 0.442 173 A N -0.135 122.688 122.820 0.005 0.000 1.933 173 A HA 0.149 4.473 4.320 0.007 0.000 0.218 173 A C 2.443 180.017 177.584 -0.018 0.000 1.175 173 A CA 2.095 54.131 52.037 -0.001 0.000 0.628 173 A CB -0.864 18.136 19.000 0.001 0.000 0.814 173 A HN 1.021 nan 8.150 nan 0.000 0.444 174 A N -0.528 122.282 122.820 -0.017 0.000 1.968 174 A HA -0.039 4.285 4.320 0.007 0.000 0.217 174 A C 2.191 179.756 177.584 -0.032 0.000 1.169 174 A CA 1.231 53.253 52.037 -0.025 0.000 0.638 174 A CB -0.355 18.634 19.000 -0.018 0.000 0.812 174 A HN 0.528 nan 8.150 nan 0.000 0.446 175 R N -0.983 119.503 120.500 -0.024 0.000 2.081 175 R HA -0.104 4.240 4.340 0.007 0.000 0.235 175 R C 2.084 178.351 176.300 -0.054 0.000 1.131 175 R CA 1.405 57.489 56.100 -0.027 0.000 0.960 175 R CB -0.572 29.722 30.300 -0.010 0.000 0.856 175 R HN 0.488 nan 8.270 nan 0.000 0.436 176 L N 0.855 122.046 121.223 -0.054 0.000 1.956 176 L HA -0.228 4.116 4.340 0.007 0.000 0.216 176 L C 2.350 179.138 176.870 -0.137 0.000 1.073 176 L CA 2.601 57.385 54.840 -0.092 0.000 0.762 176 L CB -1.079 40.949 42.059 -0.052 0.000 0.889 176 L HN 0.355 nan 8.230 nan 0.000 0.433 177 T N -3.354 111.140 114.554 -0.100 0.000 2.833 177 T HA -0.075 4.279 4.350 0.007 0.000 0.269 177 T C 1.951 176.580 174.700 -0.118 0.000 1.054 177 T CA 0.900 62.933 62.100 -0.112 0.000 1.135 177 T CB -1.536 67.285 68.868 -0.078 0.000 0.869 177 T HN 0.450 nan 8.240 nan 0.000 0.466 178 G N 1.848 110.593 108.800 -0.092 0.000 2.421 178 G HA2 -0.073 3.891 3.960 0.007 0.000 0.216 178 G HA3 -0.073 3.891 3.960 0.007 0.000 0.216 178 G C 1.517 176.360 174.900 -0.094 0.000 1.171 178 G CA 0.802 45.856 45.100 -0.076 0.000 0.775 178 G HN 0.534 nan 8.290 nan 0.000 0.543 179 L N 0.002 121.143 121.223 -0.137 0.000 2.131 179 L HA -0.002 4.342 4.340 0.007 0.000 0.210 179 L C 2.838 179.515 176.870 -0.322 0.000 1.092 179 L CA 0.435 55.154 54.840 -0.202 0.000 0.759 179 L CB -0.372 41.528 42.059 -0.266 0.000 0.903 179 L HN 0.185 nan 8.230 nan 0.000 0.435 180 L N -0.524 120.472 121.223 -0.377 0.000 2.141 180 L HA -0.169 4.175 4.340 0.007 0.000 0.209 180 L C 2.871 179.733 176.870 -0.015 0.000 1.094 180 L CA 0.972 55.603 54.840 -0.349 0.000 0.763 180 L CB -0.779 41.092 42.059 -0.314 0.000 0.908 180 L HN 0.234 nan 8.230 nan 0.000 0.437 181 A N -1.243 121.540 122.820 -0.061 0.000 1.855 181 A HA -0.151 4.173 4.320 0.007 0.000 0.215 181 A C 0.955 178.600 177.584 0.100 0.000 1.191 181 A CA 1.405 53.431 52.037 -0.018 0.000 0.613 181 A CB -0.080 18.875 19.000 -0.076 0.000 0.829 181 A HN 0.413 nan 8.150 nan 0.000 0.442 182 D N -2.789 117.643 120.400 0.054 0.000 2.861 182 D HA 0.441 5.085 4.640 0.007 0.000 0.216 182 D C -0.428 175.913 176.300 0.068 0.000 1.323 182 D CA 0.294 54.346 54.000 0.087 0.000 0.917 182 D CB 1.655 42.496 40.800 0.069 0.000 1.582 182 D HN 0.107 nan 8.370 nan 0.000 0.576 183 A N 1.896 124.791 122.820 0.124 0.000 2.345 183 A HA 0.485 4.809 4.320 0.007 0.000 0.225 183 A C 1.410 179.073 177.584 0.132 0.000 1.243 183 A CA 0.701 52.819 52.037 0.135 0.000 0.875 183 A CB -0.111 19.061 19.000 0.286 0.000 0.929 183 A HN 1.000 nan 8.150 nan 0.000 0.502 184 G N -1.427 107.437 108.800 0.106 0.000 2.203 184 G HA2 0.088 4.052 3.960 0.007 0.000 0.263 184 G HA3 0.088 4.052 3.960 0.007 0.000 0.263 184 G C 1.461 176.418 174.900 0.095 0.000 1.012 184 G CA 0.855 46.008 45.100 0.088 0.000 0.749 184 G HN 2.099 nan 8.290 nan 0.000 0.512 185 G N -1.786 107.081 108.800 0.111 0.000 2.159 185 G HA2 -0.222 3.742 3.960 0.007 0.000 0.256 185 G HA3 -0.222 3.742 3.960 0.007 0.000 0.256 185 G C 0.099 175.069 174.900 0.117 0.000 0.977 185 G CA 0.839 45.999 45.100 0.099 0.000 0.652 185 G HN 0.921 nan 8.290 nan 0.000 0.531 186 E N 0.499 120.790 120.200 0.151 0.000 2.277 186 E HA 0.503 4.857 4.350 0.007 0.000 0.274 186 E C 0.385 177.120 176.600 0.224 0.000 1.022 186 E CA 0.192 56.697 56.400 0.174 0.000 0.853 186 E CB 1.439 31.251 29.700 0.186 0.000 1.086 186 E HN 0.464 nan 8.360 nan 0.000 0.397 187 D N -0.005 120.512 120.400 0.195 0.000 2.523 187 D HA -0.027 4.617 4.640 0.007 0.000 0.269 187 D C -0.303 176.096 176.300 0.165 0.000 1.374 187 D CA -0.079 53.988 54.000 0.111 0.000 0.820 187 D CB 0.122 40.905 40.800 -0.028 0.000 1.211 187 D HN 0.199 nan 8.370 nan 0.000 0.502 188 Q N 0.930 120.900 119.800 0.282 0.000 2.616 188 Q HA 0.537 4.881 4.340 0.007 0.000 0.250 188 Q C -1.223 175.150 176.000 0.623 0.000 0.991 188 Q CA -0.284 55.785 55.803 0.443 0.000 0.707 188 Q CB 2.147 31.138 28.738 0.421 0.000 1.247 188 Q HN 0.124 nan 8.270 nan 0.000 0.491 189 L N 0.933 122.581 121.223 0.709 0.000 2.354 189 L HA 0.918 5.263 4.340 0.007 0.000 0.264 189 L C -0.866 176.359 176.870 0.592 0.000 1.008 189 L CA -0.823 54.373 54.840 0.593 0.000 0.819 189 L CB 2.184 44.468 42.059 0.374 0.000 1.339 189 L HN 0.493 nan 8.230 nan 0.000 0.420 190 A N 3.181 126.219 122.820 0.364 0.000 2.353 190 A HA 0.736 5.060 4.320 0.007 0.000 0.299 190 A C -0.898 176.706 177.584 0.033 0.000 1.089 190 A CA -0.373 51.697 52.037 0.054 0.000 0.736 190 A CB 0.750 19.521 19.000 -0.382 0.000 1.195 190 A HN 0.603 nan 8.150 nan 0.000 0.447 191 I N 3.419 123.998 120.570 0.016 0.000 2.325 191 I HA 0.399 4.573 4.170 0.007 0.000 0.291 191 I C 0.163 176.257 176.117 -0.037 0.000 1.019 191 I CA -0.406 60.896 61.300 0.003 0.000 1.302 191 I CB 0.745 38.752 38.000 0.011 0.000 1.401 191 I HN 0.611 nan 8.210 nan 0.000 0.485 192 R N 3.457 123.936 120.500 -0.034 0.000 2.905 192 R HA 0.406 4.750 4.340 0.007 0.000 0.260 192 R C 0.947 177.228 176.300 -0.031 0.000 1.086 192 R CA -0.670 55.398 56.100 -0.053 0.000 0.978 192 R CB 0.827 31.081 30.300 -0.077 0.000 1.215 192 R HN 0.675 nan 8.270 nan 0.000 0.480 193 G N 0.082 108.862 108.800 -0.033 0.000 2.442 193 G HA2 -0.268 3.696 3.960 0.007 0.000 0.219 193 G HA3 -0.268 3.696 3.960 0.007 0.000 0.219 193 G C 1.051 175.943 174.900 -0.013 0.000 1.141 193 G CA 1.445 46.533 45.100 -0.020 0.000 0.763 193 G HN 0.557 nan 8.290 nan 0.000 0.554 194 S N -0.933 114.758 115.700 -0.014 0.000 2.528 194 S HA 0.513 4.987 4.470 0.007 0.000 0.219 194 S C 0.960 175.563 174.600 0.004 0.000 0.985 194 S CA 0.735 58.932 58.200 -0.005 0.000 0.914 194 S CB 0.353 63.549 63.200 -0.007 0.000 0.776 194 S HN 1.197 nan 8.310 nan 0.000 0.526 195 G N -0.065 108.738 108.800 0.005 0.000 2.327 195 G HA2 0.366 4.330 3.960 0.007 0.000 0.291 195 G HA3 0.366 4.330 3.960 0.007 0.000 0.291 195 G C -1.786 173.130 174.900 0.026 0.000 1.290 195 G CA -0.384 44.727 45.100 0.018 0.000 0.857 195 G HN 0.376 nan 8.290 nan 0.000 0.520 196 V N 0.940 120.882 119.914 0.046 0.000 2.407 196 V HA 0.612 4.736 4.120 0.007 0.000 0.278 196 V C 0.252 176.414 176.094 0.114 0.000 1.037 196 V CA -0.348 61.996 62.300 0.072 0.000 0.900 196 V CB 0.821 32.687 31.823 0.072 0.000 0.983 196 V HN 0.590 nan 8.190 nan 0.000 0.459 197 L N 4.248 125.568 121.223 0.161 0.000 2.334 197 L HA 0.944 5.288 4.340 0.007 0.000 0.273 197 L C 0.111 177.250 176.870 0.448 0.000 1.013 197 L CA -0.550 54.451 54.840 0.269 0.000 0.816 197 L CB 1.831 44.035 42.059 0.243 0.000 1.278 197 L HN 0.703 nan 8.230 nan 0.000 0.431 198 A N 2.124 125.189 122.820 0.409 0.000 2.413 198 A HA 0.716 5.040 4.320 0.007 0.000 0.307 198 A C -0.860 176.714 177.584 -0.017 0.000 1.087 198 A CA -0.726 51.498 52.037 0.313 0.000 0.750 198 A CB 1.704 20.813 19.000 0.182 0.000 1.296 198 A HN 0.777 nan 8.150 nan 0.000 0.423 199 R N 0.978 121.247 120.500 -0.386 0.000 2.390 199 R HA 0.505 4.849 4.340 0.007 0.000 0.291 199 R C -0.749 175.271 176.300 -0.466 0.000 1.070 199 R CA -0.234 55.269 56.100 -0.994 0.000 1.014 199 R CB 0.463 30.160 30.300 -1.005 0.000 1.007 199 R HN 0.699 nan 8.270 nan 0.000 0.466 200 R N 3.592 123.796 120.500 -0.493 0.000 2.725 200 R HA 0.374 4.718 4.340 0.007 0.000 0.277 200 R C -1.363 174.783 176.300 -0.257 0.000 0.987 200 R CA -1.172 54.767 56.100 -0.269 0.000 0.901 200 R CB 1.536 31.718 30.300 -0.198 0.000 1.207 200 R HN 0.467 nan 8.270 nan 0.000 0.463 201 L N 1.207 122.326 121.223 -0.172 0.000 2.307 201 L HA 0.788 5.132 4.340 0.007 0.000 0.284 201 L C -0.896 175.893 176.870 -0.134 0.000 1.023 201 L CA -0.129 54.630 54.840 -0.135 0.000 0.810 201 L CB 1.592 43.603 42.059 -0.082 0.000 1.231 201 L HN 0.836 nan 8.230 nan 0.000 0.423 202 A N 3.057 125.829 122.820 -0.080 0.000 2.556 202 A HA 0.532 4.856 4.320 0.007 0.000 0.294 202 A C -1.136 176.521 177.584 0.121 0.000 1.091 202 A CA -0.705 51.316 52.037 -0.027 0.000 0.704 202 A CB 0.834 19.806 19.000 -0.047 0.000 1.300 202 A HN 0.748 nan 8.150 nan 0.000 0.406 203 H N 0.751 119.881 119.070 0.100 0.000 2.897 203 H HA 0.316 4.875 4.556 0.005 0.000 0.347 203 H C 0.984 176.339 175.328 0.045 0.000 1.068 203 H CA 1.163 57.161 56.048 -0.083 0.000 1.426 203 H CB 0.987 30.660 29.762 -0.149 0.000 1.410 203 H HN 0.857 nan 8.280 nan 0.000 0.597 204 A N 2.398 125.269 122.820 0.085 0.000 2.332 204 A HA 0.479 4.803 4.320 0.007 0.000 0.258 204 A C 0.351 177.922 177.584 -0.022 0.000 1.087 204 A CA -0.104 51.943 52.037 0.016 0.000 0.802 204 A CB 0.169 19.133 19.000 -0.060 0.000 1.042 204 A HN 0.832 nan 8.150 nan 0.000 0.489 205 A N 2.016 124.794 122.820 -0.071 0.000 2.477 205 A HA 0.540 4.864 4.320 0.007 0.000 0.246 205 A C -2.217 175.332 177.584 -0.058 0.000 1.078 205 A CA -1.026 50.979 52.037 -0.052 0.000 0.770 205 A CB -0.782 18.184 19.000 -0.057 0.000 1.011 205 A HN 0.621 nan 8.150 nan 0.000 0.494 206 P HA 0.295 nan 4.420 nan 0.000 0.268 206 P C -0.124 177.152 177.300 -0.041 0.000 1.205 206 P CA 0.143 63.212 63.100 -0.051 0.000 0.771 206 P CB 0.632 32.299 31.700 -0.055 0.000 0.858 207 A N 2.908 125.708 122.820 -0.034 0.000 2.477 207 A HA 0.326 4.650 4.320 0.007 0.000 0.246 207 A C 0.273 177.844 177.584 -0.022 0.000 1.078 207 A CA -0.398 51.624 52.037 -0.025 0.000 0.770 207 A CB -0.323 18.667 19.000 -0.016 0.000 1.011 207 A HN 0.476 nan 8.150 nan 0.000 0.494 208 V N 1.928 121.831 119.914 -0.018 0.000 2.389 208 V HA 0.395 4.519 4.120 0.007 0.000 0.264 208 V C -2.441 173.648 176.094 -0.009 0.000 1.049 208 V CA -1.943 60.349 62.300 -0.014 0.000 0.932 208 V CB 0.034 31.849 31.823 -0.013 0.000 1.011 208 V HN 0.709 nan 8.190 nan 0.000 0.475 209 P HA 0.309 nan 4.420 nan 0.000 0.268 209 P C 1.167 178.467 177.300 -0.001 0.000 1.208 209 P CA 1.325 64.423 63.100 -0.004 0.000 0.777 209 P CB 0.730 32.427 31.700 -0.005 0.000 0.875 210 G N 1.224 110.026 108.800 0.003 0.000 2.175 210 G HA2 -0.294 3.670 3.960 0.007 0.000 0.265 210 G HA3 -0.294 3.670 3.960 0.007 0.000 0.265 210 G C 0.719 175.622 174.900 0.005 0.000 0.979 210 G CA 0.641 45.743 45.100 0.004 0.000 0.663 210 G HN 0.712 nan 8.290 nan 0.000 0.533 211 S N -0.494 115.209 115.700 0.004 0.000 2.554 211 S HA 0.568 5.042 4.470 0.007 0.000 0.226 211 S C 1.281 175.887 174.600 0.008 0.000 0.980 211 S CA 0.746 58.949 58.200 0.004 0.000 0.939 211 S CB 0.658 63.858 63.200 -0.000 0.000 0.832 211 S HN 1.550 nan 8.310 nan 0.000 0.486 212 G N 1.983 110.791 108.800 0.013 0.000 2.491 212 G HA2 0.347 4.311 3.960 0.007 0.000 0.238 212 G HA3 0.347 4.311 3.960 0.007 0.000 0.238 212 G C 0.356 175.270 174.900 0.022 0.000 1.277 212 G CA -0.321 44.791 45.100 0.021 0.000 0.851 212 G HN 0.592 nan 8.290 nan 0.000 0.573 213 K N 0.461 120.877 120.400 0.027 0.000 2.438 213 K HA 0.189 4.513 4.320 0.007 0.000 0.206 213 K C 0.938 177.561 176.600 0.039 0.000 1.081 213 K CA -0.575 55.728 56.287 0.027 0.000 1.053 213 K CB 0.496 33.008 32.500 0.021 0.000 0.908 213 K HN 0.359 nan 8.250 nan 0.000 0.556 214 R N 2.560 123.090 120.500 0.050 0.000 2.449 214 R HA 0.139 4.483 4.340 0.007 0.000 0.296 214 R C -2.004 174.341 176.300 0.074 0.000 1.047 214 R CA -1.351 54.790 56.100 0.069 0.000 1.018 214 R CB 0.090 30.441 30.300 0.086 0.000 0.962 214 R HN 0.077 nan 8.270 nan 0.000 0.428 215 P HA 0.083 nan 4.420 nan 0.000 0.270 215 P C -2.475 174.896 177.300 0.118 0.000 1.223 215 P CA -1.014 62.141 63.100 0.091 0.000 0.785 215 P CB 0.056 31.826 31.700 0.117 0.000 0.923 216 P HA -0.016 nan 4.420 nan 0.000 0.268 216 P C -0.487 176.953 177.300 0.233 0.000 1.205 216 P CA 0.115 63.282 63.100 0.112 0.000 0.771 216 P CB 0.380 32.104 31.700 0.040 0.000 0.858 217 V N 5.681 125.715 119.914 0.201 0.000 2.585 217 V HA 0.134 4.258 4.120 0.007 0.000 0.296 217 V C 0.901 177.161 176.094 0.277 0.000 1.035 217 V CA 0.685 63.116 62.300 0.218 0.000 1.084 217 V CB -0.563 31.347 31.823 0.145 0.000 0.953 217 V HN 0.861 nan 8.190 nan 0.000 0.483 218 H N 2.533 121.648 119.070 0.075 0.000 2.905 218 H HA 0.603 5.163 4.556 0.006 0.000 0.280 218 H C 0.279 175.652 175.328 0.075 0.000 1.445 218 H CA -0.277 55.810 56.048 0.067 0.000 1.165 218 H CB 1.037 30.832 29.762 0.056 0.000 1.857 218 H HN 1.021 nan 8.280 nan 0.000 0.567 219 G N 0.384 109.217 108.800 0.054 0.000 2.574 219 G HA2 -0.267 3.697 3.960 0.007 0.000 0.282 219 G HA3 -0.267 3.697 3.960 0.007 0.000 0.282 219 G C -0.611 174.307 174.900 0.030 0.000 1.257 219 G CA 0.331 45.434 45.100 0.005 0.000 0.956 219 G HN 0.835 nan 8.290 nan 0.000 0.560 220 S N -0.693 115.023 115.700 0.027 0.000 2.525 220 S HA 0.588 5.062 4.470 0.007 0.000 0.278 220 S C 0.018 174.599 174.600 -0.031 0.000 1.234 220 S CA -0.344 57.873 58.200 0.028 0.000 1.058 220 S CB 1.783 65.029 63.200 0.077 0.000 0.983 220 S HN 1.034 nan 8.310 nan 0.000 0.495 221 V N 4.119 124.000 119.914 -0.054 0.000 2.487 221 V HA 0.396 4.520 4.120 0.007 0.000 0.298 221 V C -0.608 175.471 176.094 -0.025 0.000 1.028 221 V CA -0.819 61.486 62.300 0.007 0.000 0.860 221 V CB 1.524 33.386 31.823 0.065 0.000 0.991 221 V HN 0.716 nan 8.190 nan 0.000 0.427 222 L N 6.904 128.136 121.223 0.016 0.000 2.265 222 L HA 0.614 4.958 4.340 0.007 0.000 0.288 222 L C -0.358 176.541 176.870 0.048 0.000 1.058 222 L CA 0.269 55.107 54.840 -0.004 0.000 0.809 222 L CB 1.429 43.488 42.059 -0.001 0.000 1.179 222 L HN 0.462 nan 8.230 nan 0.000 0.429 223 V N 4.436 124.357 119.914 0.013 0.000 2.313 223 V HA 0.376 4.500 4.120 0.007 0.000 0.278 223 V C 0.445 176.536 176.094 -0.004 0.000 1.017 223 V CA -0.416 61.892 62.300 0.015 0.000 0.823 223 V CB 0.997 32.806 31.823 -0.024 0.000 1.010 223 V HN 0.903 nan 8.190 nan 0.000 0.443 224 T N 0.905 115.464 114.554 0.008 0.000 2.899 224 T HA 0.499 4.853 4.350 0.007 0.000 0.295 224 T C 1.228 175.906 174.700 -0.038 0.000 1.033 224 T CA 0.391 62.505 62.100 0.024 0.000 1.084 224 T CB 1.341 70.296 68.868 0.145 0.000 0.979 224 T HN 1.778 nan 8.240 nan 0.000 0.532 225 G N 1.025 109.809 108.800 -0.027 0.000 2.258 225 G HA2 -0.192 3.772 3.960 0.007 0.000 0.274 225 G HA3 -0.192 3.772 3.960 0.007 0.000 0.274 225 G C 0.952 175.833 174.900 -0.032 0.000 1.021 225 G CA 0.317 45.395 45.100 -0.037 0.000 0.798 225 G HN 1.436 nan 8.290 nan 0.000 0.507 226 G N -0.541 108.244 108.800 -0.024 0.000 2.572 226 G HA2 0.147 4.111 3.960 0.007 0.000 0.216 226 G HA3 0.147 4.111 3.960 0.007 0.000 0.216 226 G C 1.649 176.534 174.900 -0.025 0.000 1.133 226 G CA 1.810 46.895 45.100 -0.026 0.000 0.791 226 G HN 1.266 nan 8.290 nan 0.000 0.538 227 T N -1.680 112.863 114.554 -0.019 0.000 3.113 227 T HA 0.345 4.699 4.350 0.007 0.000 0.256 227 T C 1.388 176.074 174.700 -0.024 0.000 1.131 227 T CA 0.371 62.461 62.100 -0.017 0.000 1.074 227 T CB 0.425 69.287 68.868 -0.009 0.000 0.944 227 T HN 0.214 nan 8.240 nan 0.000 0.516 228 G N 0.157 108.937 108.800 -0.033 0.000 2.543 228 G HA2 0.504 4.468 3.960 0.007 0.000 0.290 228 G HA3 0.504 4.468 3.960 0.007 0.000 0.290 228 G C 1.088 175.944 174.900 -0.073 0.000 1.310 228 G CA -0.375 44.697 45.100 -0.047 0.000 1.025 228 G HN 0.220 nan 8.290 nan 0.000 0.502 229 G N -0.547 108.192 108.800 -0.102 0.000 2.484 229 G HA2 -0.176 3.788 3.960 0.007 0.000 0.215 229 G HA3 -0.176 3.788 3.960 0.007 0.000 0.215 229 G C 1.680 176.453 174.900 -0.211 0.000 1.219 229 G CA 1.004 46.027 45.100 -0.129 0.000 0.791 229 G HN 0.478 nan 8.290 nan 0.000 0.550 230 I N 1.331 121.652 120.570 -0.414 0.000 2.315 230 I HA -0.056 4.118 4.170 0.007 0.000 0.248 230 I C 3.053 179.037 176.117 -0.221 0.000 1.117 230 I CA 0.941 61.846 61.300 -0.657 0.000 1.404 230 I CB -0.429 36.877 38.000 -1.158 0.000 1.071 230 I HN 0.268 nan 8.210 nan 0.000 0.419 231 G N 0.497 109.243 108.800 -0.091 0.000 2.408 231 G HA2 -0.158 3.806 3.960 0.007 0.000 0.217 231 G HA3 -0.158 3.806 3.960 0.007 0.000 0.217 231 G C 1.723 176.605 174.900 -0.031 0.000 1.150 231 G CA 0.772 45.871 45.100 -0.001 0.000 0.776 231 G HN 0.491 nan 8.290 nan 0.000 0.542 232 G N 0.574 109.347 108.800 -0.044 0.000 2.418 232 G HA2 -0.157 3.807 3.960 0.007 0.000 0.217 232 G HA3 -0.157 3.807 3.960 0.007 0.000 0.217 232 G C 1.971 176.861 174.900 -0.017 0.000 1.158 232 G CA 0.534 45.616 45.100 -0.029 0.000 0.771 232 G HN 0.242 nan 8.290 nan 0.000 0.545 233 R N 0.219 120.715 120.500 -0.006 0.000 2.081 233 R HA 0.003 4.347 4.340 0.007 0.000 0.235 233 R C 2.723 179.041 176.300 0.030 0.000 1.131 233 R CA 0.792 56.914 56.100 0.037 0.000 0.960 233 R CB -1.270 29.103 30.300 0.121 0.000 0.856 233 R HN 0.345 nan 8.270 nan 0.000 0.436 234 V N 1.458 121.383 119.914 0.018 0.000 2.287 234 V HA -0.259 3.865 4.120 0.007 0.000 0.248 234 V C 2.564 178.587 176.094 -0.119 0.000 1.053 234 V CA 1.970 64.249 62.300 -0.035 0.000 1.027 234 V CB -0.923 30.896 31.823 -0.006 0.000 0.646 234 V HN 0.333 nan 8.190 nan 0.000 0.447 235 A N -0.158 122.606 122.820 -0.093 0.000 1.908 235 A HA -0.280 4.044 4.320 0.007 0.000 0.218 235 A C 2.432 179.984 177.584 -0.054 0.000 1.181 235 A CA 2.126 54.110 52.037 -0.089 0.000 0.627 235 A CB -0.628 18.338 19.000 -0.055 0.000 0.818 235 A HN 0.476 nan 8.150 nan 0.000 0.445 236 R N -0.511 119.972 120.500 -0.029 0.000 2.091 236 R HA -0.124 4.220 4.340 0.007 0.000 0.238 236 R C 2.343 178.638 176.300 -0.009 0.000 1.136 236 R CA 1.668 57.762 56.100 -0.010 0.000 0.959 236 R CB -0.233 30.068 30.300 0.002 0.000 0.856 236 R HN 0.531 nan 8.270 nan 0.000 0.437 237 R N 0.002 120.494 120.500 -0.014 0.000 2.115 237 R HA -0.016 4.328 4.340 0.007 0.000 0.226 237 R C 2.370 178.660 176.300 -0.016 0.000 1.100 237 R CA 0.998 57.096 56.100 -0.004 0.000 0.980 237 R CB -0.152 30.154 30.300 0.010 0.000 0.875 237 R HN 0.241 nan 8.270 nan 0.000 0.445 238 L N -0.071 121.116 121.223 -0.060 0.000 2.083 238 L HA -0.140 4.204 4.340 0.007 0.000 0.209 238 L C 2.594 179.461 176.870 -0.005 0.000 1.083 238 L CA 1.151 55.959 54.840 -0.053 0.000 0.752 238 L CB -0.495 41.493 42.059 -0.120 0.000 0.899 238 L HN 0.236 nan 8.230 nan 0.000 0.433 239 A N 0.030 122.847 122.820 -0.005 0.000 1.877 239 A HA -0.227 4.097 4.320 0.007 0.000 0.216 239 A C 2.167 179.765 177.584 0.023 0.000 1.186 239 A CA 1.684 53.730 52.037 0.015 0.000 0.620 239 A CB -0.451 18.556 19.000 0.012 0.000 0.822 239 A HN 0.430 nan 8.150 nan 0.000 0.443 240 E N -0.477 119.734 120.200 0.018 0.000 2.118 240 E HA -0.229 4.125 4.350 0.007 0.000 0.195 240 E C 2.082 178.701 176.600 0.032 0.000 0.992 240 E CA 1.428 57.842 56.400 0.024 0.000 0.804 240 E CB -0.153 29.560 29.700 0.021 0.000 0.741 240 E HN 0.736 nan 8.360 nan 0.000 0.458 241 Q N -1.346 118.476 119.800 0.037 0.000 2.451 241 Q HA 0.051 4.395 4.340 0.007 0.000 0.206 241 Q C 1.049 177.087 176.000 0.063 0.000 0.947 241 Q CA 0.592 56.426 55.803 0.051 0.000 0.937 241 Q CB 0.918 29.691 28.738 0.059 0.000 1.025 241 Q HN 0.397 nan 8.270 nan 0.000 0.511 242 G N -0.357 108.480 108.800 0.062 0.000 2.425 242 G HA2 -0.138 3.826 3.960 0.007 0.000 0.177 242 G HA3 -0.138 3.826 3.960 0.007 0.000 0.177 242 G C 0.150 175.105 174.900 0.092 0.000 0.999 242 G CA -0.369 44.778 45.100 0.078 0.000 0.723 242 G HN 0.416 nan 8.290 nan 0.000 0.491 243 A N 0.665 123.532 122.820 0.078 0.000 2.565 243 A HA 0.623 4.947 4.320 0.007 0.000 0.237 243 A C 1.688 179.323 177.584 0.085 0.000 1.053 243 A CA 1.416 53.499 52.037 0.076 0.000 0.755 243 A CB 0.525 19.552 19.000 0.045 0.000 0.980 243 A HN 1.728 nan 8.150 nan 0.000 0.506 244 A N 1.504 124.387 122.820 0.104 0.000 2.030 244 A HA 0.291 4.615 4.320 0.007 0.000 0.215 244 A C 0.845 178.522 177.584 0.156 0.000 1.164 244 A CA 1.602 53.706 52.037 0.110 0.000 0.697 244 A CB -0.133 18.931 19.000 0.107 0.000 0.827 244 A HN 1.196 nan 8.150 nan 0.000 0.457 245 H N -1.473 117.610 119.070 0.022 0.000 3.042 245 H HA 0.609 5.169 4.556 0.007 0.000 0.345 245 H C -1.839 173.498 175.328 0.014 0.000 1.052 245 H CA -1.080 54.978 56.048 0.016 0.000 1.311 245 H CB 0.474 30.245 29.762 0.016 0.000 1.810 245 H HN 0.062 nan 8.280 nan 0.000 0.505 246 L N 5.436 126.636 121.223 -0.038 0.000 2.296 246 L HA 0.514 4.858 4.340 0.007 0.000 0.286 246 L C -0.539 176.158 176.870 -0.287 0.000 1.023 246 L CA -1.112 53.635 54.840 -0.155 0.000 0.812 246 L CB 1.696 43.726 42.059 -0.048 0.000 1.223 246 L HN 0.425 nan 8.230 nan 0.000 0.421 247 V N 5.720 125.447 119.914 -0.311 0.000 2.313 247 V HA 0.360 4.484 4.120 0.007 0.000 0.278 247 V C 0.015 176.049 176.094 -0.100 0.000 1.017 247 V CA -0.408 61.750 62.300 -0.237 0.000 0.823 247 V CB 1.328 33.004 31.823 -0.244 0.000 1.010 247 V HN 0.500 nan 8.190 nan 0.000 0.443 248 L N 5.526 126.716 121.223 -0.055 0.000 2.282 248 L HA 0.709 5.053 4.340 0.007 0.000 0.288 248 L C 0.514 177.376 176.870 -0.013 0.000 1.033 248 L CA -0.218 54.604 54.840 -0.030 0.000 0.807 248 L CB 1.750 43.795 42.059 -0.022 0.000 1.209 248 L HN 0.726 nan 8.230 nan 0.000 0.423 249 T N -0.397 114.154 114.554 -0.005 0.000 2.942 249 T HA 0.883 5.237 4.350 0.007 0.000 0.289 249 T C -0.229 174.476 174.700 0.009 0.000 1.044 249 T CA -0.594 61.510 62.100 0.007 0.000 1.023 249 T CB 2.175 71.055 68.868 0.019 0.000 1.123 249 T HN 0.741 nan 8.240 nan 0.000 0.512 250 S N 0.332 116.041 115.700 0.014 0.000 2.627 250 S HA 0.409 4.883 4.470 0.007 0.000 0.268 250 S C 0.508 175.121 174.600 0.021 0.000 1.130 250 S CA -1.219 56.991 58.200 0.016 0.000 0.819 250 S CB 1.222 64.427 63.200 0.008 0.000 1.100 250 S HN 0.785 nan 8.310 nan 0.000 0.465 251 R N 0.364 120.880 120.500 0.025 0.000 2.096 251 R HA 0.054 4.398 4.340 0.007 0.000 0.235 251 R C 2.158 178.471 176.300 0.021 0.000 1.127 251 R CA 1.641 57.757 56.100 0.027 0.000 0.968 251 R CB -0.286 30.033 30.300 0.032 0.000 0.861 251 R HN 0.570 nan 8.270 nan 0.000 0.440 252 R N -0.252 120.258 120.500 0.017 0.000 2.200 252 R HA 0.070 4.414 4.340 0.007 0.000 0.208 252 R C 1.388 177.694 176.300 0.011 0.000 1.033 252 R CA 0.433 56.540 56.100 0.013 0.000 1.000 252 R CB 0.048 30.354 30.300 0.010 0.000 0.906 252 R HN 0.352 nan 8.270 nan 0.000 0.462 253 G N 0.914 109.721 108.800 0.011 0.000 2.660 253 G HA2 -0.471 3.493 3.960 0.007 0.000 0.321 253 G HA3 -0.471 3.493 3.960 0.007 0.000 0.321 253 G C 0.938 175.843 174.900 0.008 0.000 1.246 253 G CA 0.633 45.739 45.100 0.011 0.000 1.000 253 G HN 0.420 nan 8.290 nan 0.000 0.550 254 A N -0.751 122.075 122.820 0.010 0.000 2.172 254 A HA 0.191 4.515 4.320 0.007 0.000 0.216 254 A C 1.758 179.346 177.584 0.006 0.000 1.154 254 A CA 2.248 54.290 52.037 0.009 0.000 0.701 254 A CB -0.240 18.767 19.000 0.011 0.000 0.789 254 A HN 0.531 nan 8.150 nan 0.000 0.465 255 D N 0.076 120.480 120.400 0.006 0.000 2.339 255 D HA 0.300 4.944 4.640 0.007 0.000 0.217 255 D C 0.755 177.057 176.300 0.002 0.000 1.050 255 D CA 0.604 54.606 54.000 0.004 0.000 0.856 255 D CB -0.040 40.763 40.800 0.005 0.000 0.922 255 D HN 0.424 nan 8.370 nan 0.000 0.518 256 A N 1.795 124.616 122.820 0.002 0.000 2.462 256 A HA 0.332 4.656 4.320 0.007 0.000 0.243 256 A C -2.144 175.438 177.584 -0.003 0.000 1.076 256 A CA -0.908 51.128 52.037 -0.000 0.000 0.773 256 A CB -0.108 18.892 19.000 -0.001 0.000 1.010 256 A HN -0.083 nan 8.150 nan 0.000 0.493 257 P HA 0.221 nan 4.420 nan 0.000 0.262 257 P C 1.020 178.315 177.300 -0.008 0.000 1.182 257 P CA 1.829 64.924 63.100 -0.008 0.000 0.761 257 P CB 0.458 32.152 31.700 -0.010 0.000 0.795 258 G N 2.807 111.603 108.800 -0.007 0.000 2.184 258 G HA2 -0.346 3.618 3.960 0.007 0.000 0.264 258 G HA3 -0.346 3.618 3.960 0.007 0.000 0.264 258 G C 1.188 176.085 174.900 -0.004 0.000 0.975 258 G CA 0.466 45.563 45.100 -0.006 0.000 0.642 258 G HN 0.680 nan 8.290 nan 0.000 0.536 259 A N 0.189 123.008 122.820 -0.003 0.000 1.940 259 A HA 0.332 4.656 4.320 0.007 0.000 0.219 259 A C 2.828 180.413 177.584 0.002 0.000 1.176 259 A CA 2.750 54.786 52.037 -0.001 0.000 0.631 259 A CB -0.812 18.188 19.000 0.001 0.000 0.814 259 A HN 1.802 nan 8.150 nan 0.000 0.446 260 A N -0.639 122.182 122.820 0.002 0.000 1.898 260 A HA -0.141 4.183 4.320 0.007 0.000 0.216 260 A C 2.018 179.604 177.584 0.003 0.000 1.181 260 A CA 1.673 53.713 52.037 0.004 0.000 0.620 260 A CB -0.515 18.487 19.000 0.003 0.000 0.819 260 A HN 0.631 nan 8.150 nan 0.000 0.442 261 E N -0.371 119.829 120.200 0.001 0.000 2.051 261 E HA -0.166 4.188 4.350 0.007 0.000 0.192 261 E C 1.983 178.584 176.600 0.002 0.000 0.991 261 E CA 0.993 57.393 56.400 0.001 0.000 0.799 261 E CB -0.180 29.519 29.700 -0.001 0.000 0.748 261 E HN 0.565 nan 8.360 nan 0.000 0.449 262 L N 0.792 122.015 121.223 0.000 0.000 2.042 262 L HA -0.214 4.130 4.340 0.007 0.000 0.210 262 L C 2.767 179.640 176.870 0.004 0.000 1.076 262 L CA 1.438 56.278 54.840 0.000 0.000 0.749 262 L CB -0.322 41.735 42.059 -0.003 0.000 0.893 262 L HN 0.179 nan 8.230 nan 0.000 0.432 263 R N -0.444 120.060 120.500 0.007 0.000 2.096 263 R HA -0.165 4.179 4.340 0.007 0.000 0.235 263 R C 2.175 178.483 176.300 0.013 0.000 1.127 263 R CA 1.394 57.502 56.100 0.013 0.000 0.968 263 R CB -0.139 30.169 30.300 0.015 0.000 0.861 263 R HN 0.455 nan 8.270 nan 0.000 0.440 264 A N 0.659 123.485 122.820 0.010 0.000 1.873 264 A HA -0.164 4.160 4.320 0.007 0.000 0.215 264 A C 1.928 179.517 177.584 0.009 0.000 1.186 264 A CA 1.379 53.422 52.037 0.009 0.000 0.616 264 A CB -0.450 18.554 19.000 0.006 0.000 0.823 264 A HN 0.442 nan 8.150 nan 0.000 0.442 265 E N -0.543 119.662 120.200 0.007 0.000 2.049 265 E HA -0.232 4.122 4.350 0.007 0.000 0.198 265 E C 1.796 178.402 176.600 0.010 0.000 1.007 265 E CA 1.614 58.018 56.400 0.007 0.000 0.809 265 E CB -0.250 29.453 29.700 0.005 0.000 0.749 265 E HN 0.440 nan 8.360 nan 0.000 0.450 266 L N 0.973 122.203 121.223 0.011 0.000 2.083 266 L HA -0.182 4.162 4.340 0.007 0.000 0.209 266 L C 2.039 178.922 176.870 0.022 0.000 1.083 266 L CA 1.686 56.536 54.840 0.016 0.000 0.752 266 L CB -0.563 41.506 42.059 0.017 0.000 0.899 266 L HN 0.137 nan 8.230 nan 0.000 0.433 267 E N -1.066 119.146 120.200 0.020 0.000 2.107 267 E HA -0.178 4.176 4.350 0.007 0.000 0.191 267 E C 2.162 178.772 176.600 0.017 0.000 0.982 267 E CA 0.488 56.901 56.400 0.021 0.000 0.809 267 E CB -0.058 29.653 29.700 0.019 0.000 0.756 267 E HN 0.481 nan 8.360 nan 0.000 0.459 268 Q N 0.283 120.091 119.800 0.014 0.000 2.170 268 Q HA -0.121 4.223 4.340 0.007 0.000 0.203 268 Q C 2.092 178.100 176.000 0.014 0.000 0.976 268 Q CA 0.931 56.741 55.803 0.012 0.000 0.858 268 Q CB -0.066 28.677 28.738 0.010 0.000 0.907 268 Q HN 0.375 nan 8.270 nan 0.000 0.433 269 L N -0.581 120.651 121.223 0.016 0.000 2.610 269 L HA 0.041 4.385 4.340 0.007 0.000 0.232 269 L C 1.087 177.970 176.870 0.022 0.000 1.149 269 L CA 0.536 55.387 54.840 0.018 0.000 0.872 269 L CB -0.251 41.819 42.059 0.018 0.000 0.992 269 L HN 0.328 nan 8.230 nan 0.000 0.447 270 G N -0.098 108.716 108.800 0.022 0.000 2.132 270 G HA2 -0.218 3.746 3.960 0.007 0.000 0.228 270 G HA3 -0.218 3.746 3.960 0.007 0.000 0.228 270 G C -0.059 174.860 174.900 0.032 0.000 1.000 270 G CA -0.052 45.062 45.100 0.024 0.000 0.693 270 G HN 0.100 nan 8.290 nan 0.000 0.515 271 V N 0.735 120.672 119.914 0.037 0.000 2.581 271 V HA 0.561 4.685 4.120 0.007 0.000 0.303 271 V C 1.083 177.215 176.094 0.064 0.000 1.041 271 V CA -1.012 61.321 62.300 0.056 0.000 0.907 271 V CB 1.754 33.611 31.823 0.055 0.000 0.994 271 V HN 0.471 nan 8.190 nan 0.000 0.442 272 R N 2.843 123.392 120.500 0.081 0.000 2.491 272 R HA 0.465 4.809 4.340 0.007 0.000 0.283 272 R C -1.338 175.095 176.300 0.221 0.000 1.072 272 R CA -0.090 56.060 56.100 0.082 0.000 1.048 272 R CB 0.914 31.173 30.300 -0.068 0.000 0.983 272 R HN 0.516 nan 8.270 nan 0.000 0.450 273 V N 3.606 123.619 119.914 0.165 0.000 2.531 273 V HA 0.286 4.410 4.120 0.007 0.000 0.301 273 V C -0.455 175.739 176.094 0.167 0.000 1.034 273 V CA -0.668 61.724 62.300 0.153 0.000 0.865 273 V CB 2.108 33.975 31.823 0.073 0.000 0.995 273 V HN 0.823 nan 8.190 nan 0.000 0.424 274 T N 6.322 120.981 114.554 0.175 0.000 2.786 274 T HA 0.647 5.001 4.350 0.007 0.000 0.283 274 T C -0.345 174.384 174.700 0.047 0.000 0.992 274 T CA -0.152 62.030 62.100 0.135 0.000 0.954 274 T CB 0.884 69.882 68.868 0.216 0.000 0.934 274 T HN 0.415 nan 8.240 nan 0.000 0.440 275 I N 3.029 123.623 120.570 0.040 0.000 2.382 275 I HA 0.630 4.804 4.170 0.007 0.000 0.285 275 I C 0.079 176.209 176.117 0.021 0.000 1.007 275 I CA -0.904 60.408 61.300 0.020 0.000 1.142 275 I CB 1.256 39.265 38.000 0.016 0.000 1.289 275 I HN 0.622 nan 8.210 nan 0.000 0.453 276 A N 4.943 127.773 122.820 0.017 0.000 2.342 276 A HA 0.861 5.185 4.320 0.007 0.000 0.323 276 A C -0.200 177.394 177.584 0.017 0.000 1.125 276 A CA -0.638 51.410 52.037 0.019 0.000 0.785 276 A CB 1.463 20.476 19.000 0.021 0.000 1.221 276 A HN 0.772 nan 8.150 nan 0.000 0.463 277 A N 0.892 123.722 122.820 0.018 0.000 2.310 277 A HA 0.530 4.854 4.320 0.007 0.000 0.300 277 A C -0.227 177.369 177.584 0.021 0.000 1.269 277 A CA -0.194 51.854 52.037 0.018 0.000 0.909 277 A CB -0.587 18.422 19.000 0.016 0.000 1.144 277 A HN 1.719 nan 8.150 nan 0.000 0.540 278 C N 3.616 122.931 119.300 0.026 0.000 2.817 278 C HA 0.357 4.821 4.460 0.007 0.000 0.385 278 C C -0.809 174.205 174.990 0.040 0.000 1.050 278 C CA -0.879 58.157 59.018 0.030 0.000 1.245 278 C CB 0.632 28.390 27.740 0.030 0.000 1.706 278 C HN 0.935 nan 8.230 nan 0.000 0.488 279 D N 3.165 123.592 120.400 0.044 0.000 2.425 279 D HA 0.238 4.882 4.640 0.007 0.000 0.247 279 D C 1.081 177.427 176.300 0.077 0.000 1.147 279 D CA 0.708 54.742 54.000 0.057 0.000 0.879 279 D CB 1.862 42.696 40.800 0.056 0.000 1.179 279 D HN 0.793 nan 8.370 nan 0.000 0.456 280 A N 3.688 126.565 122.820 0.094 0.000 2.121 280 A HA 0.016 4.341 4.320 0.007 0.000 0.218 280 A C 1.767 179.447 177.584 0.160 0.000 1.154 280 A CA 1.396 53.509 52.037 0.128 0.000 0.679 280 A CB -0.087 19.018 19.000 0.174 0.000 0.795 280 A HN 0.584 nan 8.150 nan 0.000 0.458 281 A N -0.597 122.310 122.820 0.145 0.000 2.302 281 A HA 0.201 4.525 4.320 0.007 0.000 0.219 281 A C 0.493 178.238 177.584 0.269 0.000 1.243 281 A CA 0.364 52.516 52.037 0.191 0.000 0.856 281 A CB -0.225 18.829 19.000 0.090 0.000 0.893 281 A HN 0.310 nan 8.150 nan 0.000 0.491 282 D N 0.209 120.705 120.400 0.160 0.000 2.428 282 D HA 0.158 4.802 4.640 0.007 0.000 0.221 282 D C 1.134 177.404 176.300 -0.050 0.000 1.123 282 D CA -0.416 53.619 54.000 0.059 0.000 0.869 282 D CB 0.409 41.232 40.800 0.039 0.000 1.032 282 D HN 0.274 nan 8.370 nan 0.000 0.506 283 R N 2.621 122.946 120.500 -0.292 0.000 2.081 283 R HA -0.166 4.178 4.340 0.007 0.000 0.235 283 R C 0.977 177.151 176.300 -0.210 0.000 1.131 283 R CA 1.366 57.157 56.100 -0.515 0.000 0.960 283 R CB 0.336 30.100 30.300 -0.893 0.000 0.856 283 R HN 0.317 nan 8.270 nan 0.000 0.436 284 E N 0.141 120.259 120.200 -0.138 0.000 2.077 284 E HA -0.140 4.214 4.350 0.007 0.000 0.193 284 E C 1.742 178.315 176.600 -0.045 0.000 0.989 284 E CA 1.599 57.955 56.400 -0.074 0.000 0.800 284 E CB -0.211 29.461 29.700 -0.048 0.000 0.746 284 E HN 0.451 nan 8.360 nan 0.000 0.452 285 A N 0.289 123.090 122.820 -0.032 0.000 1.930 285 A HA -0.101 4.223 4.320 0.007 0.000 0.217 285 A C 2.116 179.698 177.584 -0.004 0.000 1.175 285 A CA 1.093 53.125 52.037 -0.008 0.000 0.627 285 A CB -0.529 18.474 19.000 0.006 0.000 0.815 285 A HN 0.282 nan 8.150 nan 0.000 0.443 286 L N -0.163 121.054 121.223 -0.010 0.000 2.056 286 L HA -0.021 4.323 4.340 0.007 0.000 0.207 286 L C 2.605 179.473 176.870 -0.004 0.000 1.078 286 L CA 2.168 57.010 54.840 0.004 0.000 0.749 286 L CB -0.785 41.282 42.059 0.014 0.000 0.901 286 L HN 0.315 nan 8.230 nan 0.000 0.433 287 A N -0.333 122.473 122.820 -0.024 0.000 1.902 287 A HA -0.117 4.207 4.320 0.007 0.000 0.217 287 A C 2.471 180.051 177.584 -0.007 0.000 1.181 287 A CA 1.877 53.903 52.037 -0.019 0.000 0.623 287 A CB -1.215 17.764 19.000 -0.035 0.000 0.818 287 A HN 0.597 nan 8.150 nan 0.000 0.443 288 A N -0.566 122.250 122.820 -0.006 0.000 1.883 288 A HA -0.083 4.241 4.320 0.007 0.000 0.217 288 A C 2.148 179.740 177.584 0.013 0.000 1.186 288 A CA 1.789 53.827 52.037 0.003 0.000 0.624 288 A CB -0.663 18.338 19.000 0.002 0.000 0.822 288 A HN 0.613 nan 8.150 nan 0.000 0.444 289 L N -0.291 120.941 121.223 0.015 0.000 2.046 289 L HA -0.092 4.252 4.340 0.007 0.000 0.208 289 L C 2.290 179.178 176.870 0.029 0.000 1.077 289 L CA 1.563 56.418 54.840 0.025 0.000 0.747 289 L CB -0.351 41.721 42.059 0.021 0.000 0.896 289 L HN 0.417 nan 8.230 nan 0.000 0.432 290 L N -0.967 120.269 121.223 0.021 0.000 2.201 290 L HA -0.112 4.232 4.340 0.007 0.000 0.212 290 L C 2.367 179.252 176.870 0.025 0.000 1.105 290 L CA 0.871 55.726 54.840 0.024 0.000 0.775 290 L CB -0.733 41.336 42.059 0.017 0.000 0.913 290 L HN 0.338 nan 8.230 nan 0.000 0.440 291 A N 0.194 123.025 122.820 0.019 0.000 2.208 291 A HA -0.086 4.238 4.320 0.007 0.000 0.209 291 A C 1.693 179.290 177.584 0.022 0.000 1.161 291 A CA 0.767 52.814 52.037 0.016 0.000 0.782 291 A CB -0.266 18.739 19.000 0.009 0.000 0.816 291 A HN 0.605 nan 8.150 nan 0.000 0.477 292 E N -0.292 119.927 120.200 0.032 0.000 2.660 292 E HA 0.298 4.652 4.350 0.007 0.000 0.216 292 E C -0.393 176.238 176.600 0.052 0.000 0.986 292 E CA -0.514 55.907 56.400 0.034 0.000 1.037 292 E CB -0.233 29.485 29.700 0.031 0.000 1.041 292 E HN 0.437 nan 8.360 nan 0.000 0.480 293 L N 2.367 123.630 121.223 0.067 0.000 2.483 293 L HA 0.196 4.540 4.340 0.007 0.000 0.276 293 L C -1.892 175.012 176.870 0.056 0.000 1.213 293 L CA -1.696 53.203 54.840 0.099 0.000 0.843 293 L CB -0.255 41.867 42.059 0.104 0.000 1.107 293 L HN -0.017 nan 8.230 nan 0.000 0.487 294 P HA 0.034 nan 4.420 nan 0.000 0.268 294 P C 0.000 177.311 177.300 0.018 0.000 1.205 294 P CA -0.280 62.816 63.100 -0.006 0.000 0.771 294 P CB 0.540 32.208 31.700 -0.055 0.000 0.858 295 E N 1.821 122.028 120.200 0.011 0.000 2.086 295 E HA -0.243 4.111 4.350 0.007 0.000 0.200 295 E C 1.097 177.712 176.600 0.026 0.000 1.012 295 E CA 1.992 58.403 56.400 0.017 0.000 0.812 295 E CB -0.931 28.775 29.700 0.011 0.000 0.743 295 E HN 0.606 nan 8.360 nan 0.000 0.453 296 D N -0.356 120.058 120.400 0.023 0.000 2.328 296 D HA 0.164 4.808 4.640 0.007 0.000 0.226 296 D C -0.048 176.284 176.300 0.053 0.000 1.066 296 D CA 0.438 54.459 54.000 0.035 0.000 0.861 296 D CB 0.101 40.916 40.800 0.025 0.000 0.912 296 D HN 0.144 nan 8.370 nan 0.000 0.521 297 A N 1.196 124.048 122.820 0.054 0.000 3.370 297 A HA 0.409 4.733 4.320 0.007 0.000 0.295 297 A C -2.770 174.859 177.584 0.076 0.000 1.030 297 A CA -1.054 51.028 52.037 0.076 0.000 0.883 297 A CB 0.647 19.703 19.000 0.094 0.000 1.191 297 A HN 0.016 nan 8.150 nan 0.000 0.507 298 P HA 0.186 nan 4.420 nan 0.000 0.272 298 P C 0.121 177.428 177.300 0.013 0.000 1.230 298 P CA -0.227 62.896 63.100 0.039 0.000 0.788 298 P CB 0.853 32.575 31.700 0.036 0.000 0.949 299 L N 2.730 123.963 121.223 0.016 0.000 2.559 299 L HA 0.010 4.354 4.340 0.007 0.000 0.274 299 L C 1.414 178.268 176.870 -0.026 0.000 1.205 299 L CA 1.396 56.237 54.840 0.001 0.000 0.907 299 L CB -0.280 41.790 42.059 0.018 0.000 1.153 299 L HN 0.597 nan 8.230 nan 0.000 0.490 300 T N 1.222 115.740 114.554 -0.060 0.000 2.969 300 T HA 0.676 5.030 4.350 0.007 0.000 0.250 300 T C 0.371 175.066 174.700 -0.009 0.000 1.021 300 T CA 0.249 62.293 62.100 -0.094 0.000 1.003 300 T CB 0.257 68.940 68.868 -0.309 0.000 1.040 300 T HN 0.786 nan 8.240 nan 0.000 0.492 301 A N 0.365 123.203 122.820 0.029 0.000 2.604 301 A HA 0.692 5.016 4.320 0.007 0.000 0.295 301 A C -1.626 175.988 177.584 0.049 0.000 1.067 301 A CA -0.693 51.375 52.037 0.052 0.000 0.683 301 A CB 1.677 20.759 19.000 0.135 0.000 1.281 301 A HN 0.247 nan 8.150 nan 0.000 0.407 302 V N 1.109 120.978 119.914 -0.076 0.000 2.495 302 V HA 0.639 4.763 4.120 0.007 0.000 0.298 302 V C -1.402 174.450 176.094 -0.404 0.000 1.031 302 V CA -0.257 61.949 62.300 -0.156 0.000 0.871 302 V CB 1.317 32.982 31.823 -0.264 0.000 0.988 302 V HN 0.682 nan 8.190 nan 0.000 0.432 303 F N 3.131 122.943 119.950 -0.230 0.000 2.445 303 F HA 0.416 4.947 4.527 0.007 0.000 0.348 303 F C 0.048 175.591 175.800 -0.428 0.000 1.125 303 F CA -0.637 57.151 58.000 -0.354 0.000 0.983 303 F CB 1.070 39.916 39.000 -0.256 0.000 1.198 303 F HN 0.557 nan 8.300 nan 0.000 0.436 304 H N 1.577 120.308 119.070 -0.565 0.000 2.818 304 H HA 0.287 4.847 4.556 0.006 0.000 0.269 304 H C 0.503 175.547 175.328 -0.473 0.000 1.277 304 H CA -0.256 55.537 56.048 -0.426 0.000 1.290 304 H CB 1.155 30.691 29.762 -0.377 0.000 1.479 304 H HN 0.505 nan 8.280 nan 0.000 0.507 305 S N 2.933 118.323 115.700 -0.516 0.000 2.540 305 S HA 0.364 4.838 4.470 0.007 0.000 0.218 305 S C 0.627 175.090 174.600 -0.228 0.000 0.977 305 S CA 0.080 58.111 58.200 -0.283 0.000 0.918 305 S CB -0.202 62.956 63.200 -0.071 0.000 0.806 305 S HN 0.784 nan 8.310 nan 0.000 0.496 306 A N 0.879 123.464 122.820 -0.392 0.000 2.511 306 A HA 0.594 4.918 4.320 0.007 0.000 0.242 306 A C 0.679 178.145 177.584 -0.197 0.000 1.069 306 A CA 0.554 52.457 52.037 -0.223 0.000 0.763 306 A CB -0.365 18.561 19.000 -0.123 0.000 1.001 306 A HN 0.729 nan 8.150 nan 0.000 0.498 307 G N -0.124 108.641 108.800 -0.058 0.000 2.377 307 G HA2 0.533 4.497 3.960 0.007 0.000 0.297 307 G HA3 0.533 4.497 3.960 0.007 0.000 0.297 307 G C -1.546 173.382 174.900 0.047 0.000 1.547 307 G CA -0.206 44.897 45.100 0.005 0.000 0.833 307 G HN 1.179 nan 8.290 nan 0.000 0.583 308 V N -0.151 119.793 119.914 0.050 0.000 3.001 308 V HA 0.826 4.950 4.120 0.007 0.000 0.314 308 V C 0.808 176.886 176.094 -0.026 0.000 1.099 308 V CA 0.207 62.491 62.300 -0.027 0.000 0.989 308 V CB 1.889 33.598 31.823 -0.190 0.000 1.040 308 V HN 1.774 nan 8.190 nan 0.000 0.434 309 A N 0.733 123.451 122.820 -0.169 0.000 2.498 309 A HA 0.290 4.614 4.320 0.007 0.000 0.238 309 A C 0.668 178.129 177.584 -0.205 0.000 1.225 309 A CA -0.062 51.749 52.037 -0.377 0.000 0.978 309 A CB -0.093 18.444 19.000 -0.771 0.000 1.142 309 A HN 0.957 nan 8.150 nan 0.000 0.552 310 H N -1.371 117.657 119.070 -0.070 0.000 2.546 310 H HA 0.376 4.936 4.556 0.007 0.000 0.365 310 H C -0.374 174.943 175.328 -0.020 0.000 1.220 310 H CA 0.631 56.655 56.048 -0.040 0.000 1.386 310 H CB 0.637 30.382 29.762 -0.029 0.000 1.510 310 H HN 0.054 nan 8.280 nan 0.000 0.591 311 D N -0.090 120.401 120.400 0.151 0.000 2.800 311 D HA -0.164 4.480 4.640 0.007 0.000 0.232 311 D C -0.427 175.874 176.300 0.001 0.000 1.137 311 D CA 0.938 54.987 54.000 0.082 0.000 0.718 311 D CB -0.884 40.003 40.800 0.146 0.000 1.084 311 D HN 0.673 nan 8.370 nan 0.000 0.432 312 D N -0.736 119.654 120.400 -0.017 0.000 2.506 312 D HA 0.839 5.483 4.640 0.007 0.000 0.272 312 D C -0.048 176.207 176.300 -0.076 0.000 1.214 312 D CA 0.409 54.384 54.000 -0.042 0.000 1.067 312 D CB 1.261 42.041 40.800 -0.032 0.000 1.117 312 D HN 0.272 nan 8.370 nan 0.000 0.578 313 A N 0.072 122.834 122.820 -0.096 0.000 2.601 313 A HA 0.570 4.894 4.320 0.007 0.000 0.291 313 A C -2.807 174.714 177.584 -0.105 0.000 1.075 313 A CA -1.091 50.887 52.037 -0.098 0.000 0.671 313 A CB 1.043 20.006 19.000 -0.062 0.000 1.277 313 A HN 0.326 nan 8.150 nan 0.000 0.417 314 P HA 0.153 nan 4.420 nan 0.000 0.267 314 P C 1.214 178.493 177.300 -0.035 0.000 1.201 314 P CA -0.081 62.970 63.100 -0.081 0.000 0.775 314 P CB 0.477 32.136 31.700 -0.068 0.000 0.854 315 V N 2.329 122.237 119.914 -0.010 0.000 2.317 315 V HA -0.331 3.793 4.120 0.007 0.000 0.251 315 V C 2.245 178.373 176.094 0.057 0.000 1.065 315 V CA 2.788 65.108 62.300 0.033 0.000 1.049 315 V CB -1.592 30.277 31.823 0.076 0.000 0.651 315 V HN 0.713 nan 8.190 nan 0.000 0.450 316 A N -1.055 121.835 122.820 0.118 0.000 2.172 316 A HA -0.150 4.174 4.320 0.007 0.000 0.216 316 A C 1.751 179.342 177.584 0.013 0.000 1.154 316 A CA 1.722 53.801 52.037 0.069 0.000 0.701 316 A CB -0.257 18.811 19.000 0.113 0.000 0.789 316 A HN 0.619 nan 8.150 nan 0.000 0.465 317 D N -1.738 118.661 120.400 -0.002 0.000 2.489 317 D HA 0.137 4.781 4.640 0.007 0.000 0.231 317 D C 0.288 176.567 176.300 -0.035 0.000 1.114 317 D CA -0.306 53.681 54.000 -0.022 0.000 0.842 317 D CB -0.026 40.759 40.800 -0.025 0.000 1.133 317 D HN 0.346 nan 8.370 nan 0.000 0.506 318 L N 2.679 123.880 121.223 -0.038 0.000 2.490 318 L HA 0.141 4.485 4.340 0.007 0.000 0.274 318 L C 0.532 177.361 176.870 -0.068 0.000 1.201 318 L CA 0.396 55.206 54.840 -0.051 0.000 0.869 318 L CB 0.524 42.555 42.059 -0.047 0.000 1.123 318 L HN -0.018 nan 8.230 nan 0.000 0.484 319 T N 2.173 116.679 114.554 -0.080 0.000 2.927 319 T HA 0.355 4.709 4.350 0.007 0.000 0.281 319 T C 1.421 176.014 174.700 -0.178 0.000 0.998 319 T CA -0.783 61.251 62.100 -0.109 0.000 1.019 319 T CB 0.783 69.598 68.868 -0.088 0.000 1.061 319 T HN 0.601 nan 8.240 nan 0.000 0.518 320 L N 1.163 122.216 121.223 -0.282 0.000 2.131 320 L HA 0.085 4.429 4.340 0.007 0.000 0.210 320 L C 2.944 179.460 176.870 -0.590 0.000 1.092 320 L CA 1.463 55.987 54.840 -0.526 0.000 0.759 320 L CB -1.048 40.480 42.059 -0.884 0.000 0.903 320 L HN 0.999 nan 8.230 nan 0.000 0.435 321 G N -0.736 107.855 108.800 -0.349 0.000 2.422 321 G HA2 -0.238 3.726 3.960 0.007 0.000 0.218 321 G HA3 -0.238 3.726 3.960 0.007 0.000 0.218 321 G C 1.517 176.367 174.900 -0.084 0.000 1.146 321 G CA 0.281 45.310 45.100 -0.119 0.000 0.769 321 G HN 0.375 nan 8.290 nan 0.000 0.547 322 Q N -0.729 119.017 119.800 -0.089 0.000 2.050 322 Q HA -0.053 4.291 4.340 0.007 0.000 0.202 322 Q C 2.484 178.444 176.000 -0.068 0.000 0.980 322 Q CA 1.103 56.870 55.803 -0.060 0.000 0.840 322 Q CB -0.281 28.426 28.738 -0.052 0.000 0.898 322 Q HN 0.407 nan 8.270 nan 0.000 0.424 323 L N 1.187 122.348 121.223 -0.104 0.000 2.083 323 L HA -0.206 4.138 4.340 0.007 0.000 0.209 323 L C 1.630 178.454 176.870 -0.076 0.000 1.083 323 L CA 2.080 56.868 54.840 -0.087 0.000 0.752 323 L CB -0.540 41.448 42.059 -0.119 0.000 0.899 323 L HN 0.157 nan 8.230 nan 0.000 0.433 324 D N -0.887 119.454 120.400 -0.099 0.000 2.117 324 D HA -0.175 4.469 4.640 0.007 0.000 0.197 324 D C 2.154 178.445 176.300 -0.015 0.000 0.987 324 D CA 1.380 55.360 54.000 -0.034 0.000 0.829 324 D CB -0.002 40.818 40.800 0.033 0.000 0.961 324 D HN 0.449 nan 8.370 nan 0.000 0.460 325 A N -0.256 122.553 122.820 -0.018 0.000 1.930 325 A HA -0.070 4.254 4.320 0.007 0.000 0.217 325 A C 2.260 179.828 177.584 -0.028 0.000 1.175 325 A CA 0.866 52.894 52.037 -0.015 0.000 0.627 325 A CB -0.650 18.340 19.000 -0.016 0.000 0.815 325 A HN 0.343 nan 8.150 nan 0.000 0.443 326 L N -1.084 120.124 121.223 -0.025 0.000 2.179 326 L HA -0.105 4.239 4.340 0.007 0.000 0.208 326 L C 2.567 179.444 176.870 0.012 0.000 1.096 326 L CA 0.591 55.433 54.840 0.003 0.000 0.779 326 L CB -0.298 41.782 42.059 0.035 0.000 0.922 326 L HN 0.299 nan 8.230 nan 0.000 0.443 327 M N -0.816 118.778 119.600 -0.010 0.000 2.254 327 M HA -0.146 4.338 4.480 0.007 0.000 0.265 327 M C 2.263 178.541 176.300 -0.038 0.000 1.066 327 M CA 1.334 56.615 55.300 -0.033 0.000 1.123 327 M CB -1.126 31.442 32.600 -0.053 0.000 1.388 327 M HN 0.175 nan 8.290 nan 0.000 0.425 328 R N 0.562 121.050 120.500 -0.019 0.000 2.096 328 R HA -0.126 4.218 4.340 0.007 0.000 0.240 328 R C 1.919 178.223 176.300 0.006 0.000 1.139 328 R CA 2.006 58.099 56.100 -0.012 0.000 0.952 328 R CB -0.216 30.089 30.300 0.009 0.000 0.854 328 R HN 0.330 nan 8.270 nan 0.000 0.436 329 A N -0.186 122.654 122.820 0.033 0.000 2.235 329 A HA 0.006 4.330 4.320 0.007 0.000 0.208 329 A C 1.388 179.070 177.584 0.164 0.000 1.172 329 A CA 0.685 52.772 52.037 0.084 0.000 0.786 329 A CB 0.038 19.067 19.000 0.048 0.000 0.804 329 A HN 0.174 nan 8.150 nan 0.000 0.479 330 K N -1.070 119.386 120.400 0.093 0.000 2.344 330 K HA 0.252 4.576 4.320 0.007 0.000 0.229 330 K C 1.851 178.490 176.600 0.066 0.000 1.112 330 K CA 0.458 56.829 56.287 0.140 0.000 0.850 330 K CB -1.046 31.490 32.500 0.060 0.000 1.311 330 K HN 0.370 nan 8.250 nan 0.000 0.448 331 L N 1.773 122.913 121.223 -0.138 0.000 1.976 331 L HA -0.158 4.186 4.340 0.007 0.000 0.209 331 L C 2.199 178.836 176.870 -0.389 0.000 1.071 331 L CA 1.845 56.363 54.840 -0.537 0.000 0.746 331 L CB -0.615 41.035 42.059 -0.682 0.000 0.890 331 L HN 0.192 nan 8.230 nan 0.000 0.432 332 T N 0.166 114.552 114.554 -0.280 0.000 2.720 332 T HA -0.165 4.189 4.350 0.007 0.000 0.268 332 T C 1.841 176.271 174.700 -0.449 0.000 1.037 332 T CA 1.367 63.258 62.100 -0.348 0.000 1.144 332 T CB -0.435 68.299 68.868 -0.223 0.000 0.864 332 T HN 0.574 nan 8.240 nan 0.000 0.444 333 A N 1.335 124.043 122.820 -0.187 0.000 1.873 333 A HA 0.270 4.594 4.320 0.007 0.000 0.215 333 A C 2.635 180.125 177.584 -0.157 0.000 1.186 333 A CA 1.655 53.636 52.037 -0.093 0.000 0.616 333 A CB -1.080 17.974 19.000 0.090 0.000 0.823 333 A HN 0.494 nan 8.150 nan 0.000 0.442 334 A N -0.466 122.266 122.820 -0.147 0.000 1.969 334 A HA -0.115 4.209 4.320 0.007 0.000 0.218 334 A C 2.228 179.898 177.584 0.143 0.000 1.169 334 A CA 1.580 53.567 52.037 -0.083 0.000 0.635 334 A CB -0.473 18.580 19.000 0.088 0.000 0.810 334 A HN 0.544 nan 8.150 nan 0.000 0.445 335 R N -0.891 119.663 120.500 0.090 0.000 2.081 335 R HA -0.184 4.160 4.340 0.007 0.000 0.235 335 R C 1.975 178.369 176.300 0.157 0.000 1.131 335 R CA 1.923 58.109 56.100 0.143 0.000 0.960 335 R CB -0.473 29.847 30.300 0.034 0.000 0.856 335 R HN 0.787 nan 8.270 nan 0.000 0.436 336 H N -0.166 118.955 119.070 0.084 0.000 2.353 336 H HA -0.119 4.441 4.556 0.007 0.000 0.300 336 H C 2.200 177.568 175.328 0.066 0.000 1.090 336 H CA 1.462 57.543 56.048 0.054 0.000 1.327 336 H CB 0.015 29.793 29.762 0.027 0.000 1.383 336 H HN 0.175 nan 8.280 nan 0.000 0.508 337 L N -0.255 121.094 121.223 0.211 0.000 2.083 337 L HA -0.210 4.134 4.340 0.007 0.000 0.209 337 L C 2.633 179.698 176.870 0.325 0.000 1.083 337 L CA 1.361 56.336 54.840 0.225 0.000 0.752 337 L CB -0.345 41.784 42.059 0.116 0.000 0.899 337 L HN 0.384 nan 8.230 nan 0.000 0.433 338 H N 0.362 119.566 119.070 0.224 0.000 2.321 338 H HA -0.175 4.385 4.556 0.007 0.000 0.300 338 H C 2.093 177.397 175.328 -0.039 0.000 1.087 338 H CA 2.014 58.034 56.048 -0.047 0.000 1.319 338 H CB 0.050 29.799 29.762 -0.022 0.000 1.379 338 H HN 0.290 nan 8.280 nan 0.000 0.501 339 E N 0.012 120.114 120.200 -0.164 0.000 2.077 339 E HA -0.123 4.231 4.350 0.007 0.000 0.193 339 E C 2.172 178.681 176.600 -0.152 0.000 0.989 339 E CA 1.276 57.546 56.400 -0.217 0.000 0.800 339 E CB -0.021 29.675 29.700 -0.006 0.000 0.746 339 E HN 0.492 nan 8.360 nan 0.000 0.452 340 L N 0.468 121.661 121.223 -0.050 0.000 2.492 340 L HA -0.013 4.331 4.340 0.007 0.000 0.223 340 L C 2.154 179.002 176.870 -0.037 0.000 1.132 340 L CA 1.047 55.868 54.840 -0.031 0.000 0.850 340 L CB -0.186 41.877 42.059 0.007 0.000 0.966 340 L HN 0.260 nan 8.230 nan 0.000 0.454 341 T N -5.377 109.140 114.554 -0.062 0.000 3.040 341 T HA 0.254 4.608 4.350 0.007 0.000 0.266 341 T C 1.765 176.384 174.700 -0.134 0.000 1.005 341 T CA 0.419 62.490 62.100 -0.049 0.000 0.906 341 T CB 0.500 69.400 68.868 0.052 0.000 1.082 341 T HN 0.117 nan 8.240 nan 0.000 0.531 342 A N 2.463 125.140 122.820 -0.239 0.000 1.997 342 A HA -0.134 4.190 4.320 0.007 0.000 0.221 342 A C 1.722 179.223 177.584 -0.140 0.000 1.172 342 A CA 1.844 53.725 52.037 -0.259 0.000 0.645 342 A CB -0.542 18.232 19.000 -0.377 0.000 0.813 342 A HN 0.548 nan 8.150 nan 0.000 0.454 343 D N -1.082 119.257 120.400 -0.102 0.000 2.402 343 D HA 0.234 4.878 4.640 0.007 0.000 0.216 343 D C 0.962 177.238 176.300 -0.040 0.000 1.128 343 D CA 0.044 54.006 54.000 -0.063 0.000 0.833 343 D CB 0.287 41.056 40.800 -0.051 0.000 0.971 343 D HN 0.448 nan 8.370 nan 0.000 0.503 344 L N 0.056 121.256 121.223 -0.039 0.000 2.640 344 L HA 0.084 4.428 4.340 0.007 0.000 0.230 344 L C 0.167 177.034 176.870 -0.005 0.000 1.123 344 L CA -0.085 54.746 54.840 -0.015 0.000 0.900 344 L CB 0.037 42.093 42.059 -0.004 0.000 1.146 344 L HN -0.141 nan 8.230 nan 0.000 0.484 345 D N 1.072 121.463 120.400 -0.015 0.000 2.689 345 D HA -0.177 4.467 4.640 0.007 0.000 0.237 345 D C -0.094 176.215 176.300 0.016 0.000 1.148 345 D CA 0.293 54.292 54.000 -0.002 0.000 0.656 345 D CB -0.439 40.366 40.800 0.008 0.000 1.050 345 D HN -0.135 nan 8.370 nan 0.000 0.426 346 L N 0.729 121.963 121.223 0.017 0.000 2.499 346 L HA 0.066 4.410 4.340 0.007 0.000 0.281 346 L C 1.810 178.708 176.870 0.047 0.000 1.234 346 L CA 0.626 55.489 54.840 0.040 0.000 0.839 346 L CB 0.315 42.418 42.059 0.074 0.000 1.104 346 L HN 0.076 nan 8.230 nan 0.000 0.500 347 D N 1.061 121.496 120.400 0.057 0.000 2.234 347 D HA 0.118 4.762 4.640 0.007 0.000 0.205 347 D C 0.383 176.718 176.300 0.057 0.000 0.962 347 D CA 0.924 54.967 54.000 0.071 0.000 0.855 347 D CB 0.390 41.253 40.800 0.105 0.000 0.951 347 D HN 0.547 nan 8.370 nan 0.000 0.500 348 A N -0.137 122.707 122.820 0.040 0.000 2.517 348 A HA 0.553 4.877 4.320 0.007 0.000 0.297 348 A C -1.855 175.724 177.584 -0.009 0.000 1.050 348 A CA -0.651 51.372 52.037 -0.023 0.000 0.694 348 A CB 1.209 20.139 19.000 -0.117 0.000 1.277 348 A HN 0.013 nan 8.150 nan 0.000 0.400 349 F N 3.031 122.860 119.950 -0.202 0.000 2.771 349 F HA 0.554 5.085 4.527 0.006 0.000 0.365 349 F C -1.289 174.368 175.800 -0.238 0.000 1.169 349 F CA -0.433 57.444 58.000 -0.206 0.000 1.093 349 F CB 1.478 40.418 39.000 -0.100 0.000 1.363 349 F HN 0.371 nan 8.300 nan 0.000 0.496 350 V N 6.872 126.406 119.914 -0.635 0.000 2.370 350 V HA 0.443 4.567 4.120 0.007 0.000 0.283 350 V C -0.186 175.648 176.094 -0.432 0.000 1.023 350 V CA -0.651 61.364 62.300 -0.475 0.000 0.857 350 V CB 1.498 32.940 31.823 -0.635 0.000 0.985 350 V HN 0.565 nan 8.190 nan 0.000 0.443 351 L N 5.022 126.138 121.223 -0.178 0.000 2.313 351 L HA 0.581 4.925 4.340 0.007 0.000 0.283 351 L C -0.996 175.966 176.870 0.154 0.000 1.013 351 L CA -0.451 54.341 54.840 -0.080 0.000 0.816 351 L CB 1.674 43.723 42.059 -0.017 0.000 1.236 351 L HN 0.416 nan 8.230 nan 0.000 0.419 352 F N 1.797 121.746 119.950 -0.002 0.000 2.350 352 F HA 0.341 4.871 4.527 0.006 0.000 0.365 352 F C 0.838 176.611 175.800 -0.045 0.000 1.122 352 F CA -0.430 57.569 58.000 -0.003 0.000 1.139 352 F CB 1.165 40.288 39.000 0.204 0.000 1.220 352 F HN 0.449 nan 8.300 nan 0.000 0.499 353 S N 2.310 118.035 115.700 0.040 0.000 2.521 353 S HA 0.748 5.222 4.470 0.007 0.000 0.278 353 S C -0.183 174.364 174.600 -0.089 0.000 1.140 353 S CA -0.215 57.943 58.200 -0.070 0.000 1.028 353 S CB 1.376 64.515 63.200 -0.102 0.000 1.203 353 S HN 0.579 nan 8.310 nan 0.000 0.491 354 S N -2.077 113.515 115.700 -0.181 0.000 2.570 354 S HA 0.547 5.021 4.470 0.007 0.000 0.270 354 S C 0.661 175.042 174.600 -0.366 0.000 1.149 354 S CA -0.019 58.090 58.200 -0.151 0.000 0.837 354 S CB 0.835 63.937 63.200 -0.163 0.000 1.124 354 S HN 0.954 nan 8.310 nan 0.000 0.465 355 G N 1.524 110.015 108.800 -0.516 0.000 2.471 355 G HA2 0.089 4.053 3.960 0.007 0.000 0.219 355 G HA3 0.089 4.053 3.960 0.007 0.000 0.219 355 G C 1.484 175.644 174.900 -1.232 0.000 1.125 355 G CA 0.917 45.139 45.100 -1.463 0.000 0.775 355 G HN 1.095 nan 8.290 nan 0.000 0.548 356 A N 1.036 123.582 122.820 -0.457 0.000 1.978 356 A HA 0.195 4.519 4.320 0.007 0.000 0.220 356 A C 2.695 180.155 177.584 -0.206 0.000 1.170 356 A CA 2.252 54.177 52.037 -0.188 0.000 0.636 356 A CB -0.489 18.594 19.000 0.139 0.000 0.810 356 A HN 0.711 nan 8.150 nan 0.000 0.448 357 A N -1.212 121.443 122.820 -0.275 0.000 2.021 357 A HA 0.259 4.583 4.320 0.007 0.000 0.216 357 A C 2.120 179.607 177.584 -0.161 0.000 1.163 357 A CA 1.274 53.209 52.037 -0.170 0.000 0.676 357 A CB -0.364 18.537 19.000 -0.165 0.000 0.818 357 A HN 0.304 nan 8.150 nan 0.000 0.453 358 V N -1.537 118.168 119.914 -0.348 0.000 2.331 358 V HA -0.160 3.964 4.120 0.007 0.000 0.242 358 V C 2.213 178.305 176.094 -0.003 0.000 1.034 358 V CA 1.872 64.047 62.300 -0.208 0.000 1.027 358 V CB -0.805 30.841 31.823 -0.295 0.000 0.667 358 V HN 0.986 nan 8.190 nan 0.000 0.457 359 W N 0.093 121.446 121.300 0.088 0.000 2.842 359 W HA 0.658 5.321 4.660 0.005 0.000 0.267 359 W C 0.734 177.459 176.519 0.343 0.000 1.219 359 W CA 0.156 57.597 57.345 0.160 0.000 1.458 359 W CB -0.259 29.208 29.460 0.011 0.000 1.006 359 W HN 0.312 nan 8.180 nan 0.000 0.603 360 G N 1.000 109.934 108.800 0.223 0.000 3.069 360 G HA2 0.223 4.187 3.960 0.007 0.000 0.686 360 G HA3 0.223 4.187 3.960 0.007 0.000 0.686 360 G C -1.104 174.051 174.900 0.426 0.000 1.161 360 G CA -0.425 44.853 45.100 0.298 0.000 0.804 360 G HN 0.459 nan 8.290 nan 0.000 0.608 361 S N 0.740 116.598 115.700 0.265 0.000 2.672 361 S HA 0.747 5.221 4.470 0.007 0.000 0.291 361 S C 0.776 175.513 174.600 0.229 0.000 1.145 361 S CA 0.539 58.920 58.200 0.301 0.000 1.013 361 S CB 0.957 64.329 63.200 0.286 0.000 1.017 361 S HN 2.125 nan 8.310 nan 0.000 0.487 362 G N 1.943 110.818 108.800 0.125 0.000 2.353 362 G HA2 0.423 4.387 3.960 0.007 0.000 0.239 362 G HA3 0.423 4.387 3.960 0.007 0.000 0.239 362 G C 1.203 176.114 174.900 0.019 0.000 1.295 362 G CA 0.395 45.503 45.100 0.014 0.000 0.884 362 G HN 1.878 nan 8.290 nan 0.000 0.537 363 G N 1.212 109.937 108.800 -0.125 0.000 2.175 363 G HA2 -0.224 3.740 3.960 0.007 0.000 0.244 363 G HA3 -0.224 3.740 3.960 0.007 0.000 0.244 363 G C 0.400 174.931 174.900 -0.616 0.000 0.982 363 G CA 0.702 45.593 45.100 -0.350 0.000 0.641 363 G HN 1.093 nan 8.290 nan 0.000 0.527 364 H N -0.057 119.020 119.070 0.011 0.000 2.651 364 H HA 0.294 4.854 4.556 0.007 0.000 0.241 364 H C -1.183 174.191 175.328 0.077 0.000 1.225 364 H CA -0.575 55.505 56.048 0.053 0.000 0.942 364 H CB 0.966 30.784 29.762 0.093 0.000 1.996 364 H HN 0.309 nan 8.280 nan 0.000 0.600 365 P HA -0.105 nan 4.420 nan 0.000 0.216 365 P C 1.846 179.190 177.300 0.073 0.000 1.153 365 P CA 1.475 64.603 63.100 0.046 0.000 0.844 365 P CB 0.220 31.913 31.700 -0.012 0.000 0.787 366 G N -1.341 107.504 108.800 0.075 0.000 2.421 366 G HA2 -0.264 3.700 3.960 0.007 0.000 0.217 366 G HA3 -0.264 3.700 3.960 0.007 0.000 0.217 366 G C 1.590 176.570 174.900 0.133 0.000 1.143 366 G CA 0.202 45.344 45.100 0.070 0.000 0.784 366 G HN 0.177 nan 8.290 nan 0.000 0.541 367 Y N 1.990 122.309 120.300 0.033 0.000 2.242 367 Y HA 0.094 4.649 4.550 0.007 0.000 0.291 367 Y C 2.826 178.745 175.900 0.032 0.000 1.137 367 Y CA 0.922 59.043 58.100 0.035 0.000 1.181 367 Y CB -0.208 38.290 38.460 0.065 0.000 0.989 367 Y HN 0.236 nan 8.280 nan 0.000 0.527 368 A N 0.208 123.103 122.820 0.125 0.000 1.902 368 A HA -0.099 4.225 4.320 0.007 0.000 0.217 368 A C 2.429 180.013 177.584 -0.000 0.000 1.181 368 A CA 1.842 53.890 52.037 0.018 0.000 0.623 368 A CB -1.413 17.627 19.000 0.066 0.000 0.818 368 A HN 0.538 nan 8.150 nan 0.000 0.443 369 A N -0.116 122.726 122.820 0.036 0.000 1.873 369 A HA 0.184 4.508 4.320 0.007 0.000 0.215 369 A C 2.531 180.141 177.584 0.043 0.000 1.186 369 A CA 2.094 54.164 52.037 0.054 0.000 0.616 369 A CB -1.101 17.933 19.000 0.057 0.000 0.823 369 A HN 1.062 nan 8.150 nan 0.000 0.442 370 A N 0.241 123.063 122.820 0.003 0.000 1.908 370 A HA -0.209 4.115 4.320 0.007 0.000 0.218 370 A C 1.969 179.545 177.584 -0.013 0.000 1.181 370 A CA 1.719 53.752 52.037 -0.006 0.000 0.627 370 A CB -0.659 18.323 19.000 -0.030 0.000 0.818 370 A HN 0.607 nan 8.150 nan 0.000 0.445 371 N N 0.126 118.740 118.700 -0.143 0.000 2.270 371 N HA -0.063 4.681 4.740 0.007 0.000 0.181 371 N C 1.905 177.382 175.510 -0.056 0.000 1.016 371 N CA 1.207 54.161 53.050 -0.161 0.000 0.870 371 N CB -0.329 37.939 38.487 -0.365 0.000 0.979 371 N HN 0.477 nan 8.380 nan 0.000 0.431 372 A N 0.570 123.383 122.820 -0.013 0.000 2.019 372 A HA -0.187 4.137 4.320 0.007 0.000 0.219 372 A C 2.016 179.631 177.584 0.052 0.000 1.164 372 A CA 0.857 52.913 52.037 0.031 0.000 0.644 372 A CB -0.813 18.243 19.000 0.093 0.000 0.805 372 A HN 0.423 nan 8.150 nan 0.000 0.449 373 Y N 0.705 121.000 120.300 -0.009 0.000 2.181 373 Y HA -0.188 4.367 4.550 0.008 0.000 0.288 373 Y C 1.887 177.778 175.900 -0.014 0.000 1.146 373 Y CA 1.796 59.891 58.100 -0.009 0.000 1.164 373 Y CB -0.287 38.168 38.460 -0.009 0.000 0.982 373 Y HN 0.245 nan 8.280 nan 0.000 0.515 374 L N -0.109 121.139 121.223 0.041 0.000 1.990 374 L HA -0.295 4.049 4.340 0.007 0.000 0.213 374 L C 2.257 179.068 176.870 -0.098 0.000 1.072 374 L CA 1.783 56.611 54.840 -0.020 0.000 0.755 374 L CB -0.810 41.286 42.059 0.062 0.000 0.889 374 L HN 0.228 nan 8.230 nan 0.000 0.432 375 D N 0.259 120.612 120.400 -0.078 0.000 2.133 375 D HA -0.206 4.438 4.640 0.007 0.000 0.195 375 D C 2.193 178.429 176.300 -0.108 0.000 0.997 375 D CA 1.701 55.656 54.000 -0.074 0.000 0.840 375 D CB -0.051 40.716 40.800 -0.055 0.000 0.947 375 D HN 0.387 nan 8.370 nan 0.000 0.452 376 A N 1.087 123.809 122.820 -0.164 0.000 1.877 376 A HA -0.153 4.171 4.320 0.007 0.000 0.216 376 A C 2.223 179.658 177.584 -0.248 0.000 1.186 376 A CA 1.136 53.048 52.037 -0.209 0.000 0.620 376 A CB -0.792 18.069 19.000 -0.231 0.000 0.822 376 A HN 0.244 nan 8.150 nan 0.000 0.443 377 L N -0.221 120.759 121.223 -0.405 0.000 2.083 377 L HA -0.048 4.296 4.340 0.007 0.000 0.209 377 L C 2.577 179.357 176.870 -0.150 0.000 1.083 377 L CA 2.132 56.762 54.840 -0.351 0.000 0.752 377 L CB -0.710 41.069 42.059 -0.466 0.000 0.899 377 L HN 0.339 nan 8.230 nan 0.000 0.433 378 A N -0.846 121.924 122.820 -0.083 0.000 1.933 378 A HA -0.167 4.157 4.320 0.007 0.000 0.218 378 A C 2.168 179.725 177.584 -0.044 0.000 1.175 378 A CA 1.683 53.712 52.037 -0.014 0.000 0.628 378 A CB -0.512 18.494 19.000 0.009 0.000 0.814 378 A HN 0.548 nan 8.150 nan 0.000 0.444 379 E N -0.960 119.206 120.200 -0.056 0.000 2.107 379 E HA -0.163 4.191 4.350 0.007 0.000 0.191 379 E C 1.896 178.462 176.600 -0.056 0.000 0.982 379 E CA 1.011 57.379 56.400 -0.054 0.000 0.809 379 E CB -0.535 29.129 29.700 -0.060 0.000 0.756 379 E HN 0.862 nan 8.360 nan 0.000 0.459 380 H N 1.422 120.388 119.070 -0.172 0.000 2.321 380 H HA -0.009 4.551 4.556 0.007 0.000 0.300 380 H C 2.086 177.306 175.328 -0.180 0.000 1.087 380 H CA 1.377 57.316 56.048 -0.181 0.000 1.319 380 H CB 0.263 29.889 29.762 -0.226 0.000 1.379 380 H HN 0.014 nan 8.280 nan 0.000 0.501 381 R N -0.044 120.333 120.500 -0.206 0.000 2.105 381 R HA -0.118 4.226 4.340 0.007 0.000 0.239 381 R C 2.586 178.765 176.300 -0.201 0.000 1.135 381 R CA 1.207 57.154 56.100 -0.255 0.000 0.967 381 R CB 0.018 30.175 30.300 -0.238 0.000 0.861 381 R HN 0.322 nan 8.270 nan 0.000 0.442 382 R N 0.333 120.747 120.500 -0.143 0.000 2.091 382 R HA -0.107 4.237 4.340 0.007 0.000 0.238 382 R C 2.324 178.545 176.300 -0.133 0.000 1.136 382 R CA 1.813 57.848 56.100 -0.109 0.000 0.959 382 R CB -1.075 29.183 30.300 -0.071 0.000 0.856 382 R HN 0.323 nan 8.270 nan 0.000 0.437 383 S N 0.799 116.391 115.700 -0.179 0.000 2.474 383 S HA -0.027 4.447 4.470 0.007 0.000 0.235 383 S C 1.909 176.387 174.600 -0.203 0.000 0.997 383 S CA 0.657 58.746 58.200 -0.184 0.000 0.949 383 S CB -0.291 62.787 63.200 -0.204 0.000 0.766 383 S HN 0.296 nan 8.310 nan 0.000 0.517 384 L N 0.696 121.770 121.223 -0.247 0.000 2.591 384 L HA 0.347 4.691 4.340 0.007 0.000 0.228 384 L C 1.773 178.574 176.870 -0.115 0.000 1.133 384 L CA 0.297 55.028 54.840 -0.183 0.000 0.880 384 L CB -0.648 41.297 42.059 -0.190 0.000 1.033 384 L HN 0.562 nan 8.230 nan 0.000 0.450 385 G N 0.775 109.510 108.800 -0.107 0.000 2.137 385 G HA2 -0.253 3.711 3.960 0.007 0.000 0.237 385 G HA3 -0.253 3.711 3.960 0.007 0.000 0.237 385 G C -0.031 174.827 174.900 -0.070 0.000 1.002 385 G CA -0.166 44.889 45.100 -0.075 0.000 0.702 385 G HN 0.217 nan 8.290 nan 0.000 0.515 386 L N 0.276 121.446 121.223 -0.089 0.000 2.331 386 L HA 0.640 4.984 4.340 0.007 0.000 0.275 386 L C 1.061 177.883 176.870 -0.079 0.000 1.022 386 L CA -0.736 54.050 54.840 -0.090 0.000 0.812 386 L CB 1.874 43.861 42.059 -0.120 0.000 1.257 386 L HN 0.185 nan 8.230 nan 0.000 0.435 387 T N 1.619 116.141 114.554 -0.054 0.000 2.918 387 T HA 0.632 4.986 4.350 0.007 0.000 0.302 387 T C -0.388 174.319 174.700 0.012 0.000 1.045 387 T CA -0.116 61.976 62.100 -0.012 0.000 1.114 387 T CB 0.600 69.480 68.868 0.019 0.000 0.965 387 T HN 0.773 nan 8.240 nan 0.000 0.540 388 A N 2.765 125.612 122.820 0.046 0.000 2.590 388 A HA 0.605 4.929 4.320 0.007 0.000 0.296 388 A C -0.923 176.702 177.584 0.069 0.000 1.050 388 A CA -0.747 51.369 52.037 0.131 0.000 0.697 388 A CB 1.343 20.410 19.000 0.111 0.000 1.277 388 A HN 0.730 nan 8.150 nan 0.000 0.411 389 S N 0.658 116.395 115.700 0.062 0.000 2.619 389 S HA 0.715 5.189 4.470 0.007 0.000 0.280 389 S C -0.475 174.127 174.600 0.003 0.000 1.150 389 S CA 0.003 58.212 58.200 0.013 0.000 0.978 389 S CB 1.670 64.864 63.200 -0.009 0.000 1.041 389 S HN 1.720 nan 8.310 nan 0.000 0.485 390 S N 1.885 117.581 115.700 -0.007 0.000 2.456 390 S HA 0.707 5.181 4.470 0.007 0.000 0.316 390 S C -0.633 173.920 174.600 -0.078 0.000 1.089 390 S CA -0.623 57.563 58.200 -0.024 0.000 1.101 390 S CB 0.884 64.067 63.200 -0.028 0.000 0.995 390 S HN 0.393 nan 8.310 nan 0.000 0.468 391 V N 3.111 122.942 119.914 -0.139 0.000 2.334 391 V HA 0.682 4.806 4.120 0.007 0.000 0.281 391 V C 0.415 176.176 176.094 -0.556 0.000 1.016 391 V CA -0.712 61.343 62.300 -0.409 0.000 0.832 391 V CB 0.798 32.202 31.823 -0.699 0.000 0.999 391 V HN 1.110 nan 8.190 nan 0.000 0.439 392 A N 5.660 128.250 122.820 -0.385 0.000 2.391 392 A HA 0.541 4.865 4.320 0.007 0.000 0.316 392 A C -0.492 176.972 177.584 -0.200 0.000 1.381 392 A CA -0.487 51.378 52.037 -0.287 0.000 0.998 392 A CB -0.079 18.791 19.000 -0.217 0.000 1.147 392 A HN 0.829 nan 8.150 nan 0.000 0.545 393 W N 2.108 123.411 121.300 0.005 0.000 2.170 393 W HA 0.439 5.104 4.660 0.009 0.000 0.336 393 W C 1.197 177.772 176.519 0.094 0.000 1.283 393 W CA 0.248 57.652 57.345 0.099 0.000 1.224 393 W CB 0.936 30.491 29.460 0.159 0.000 1.132 393 W HN 0.823 nan 8.180 nan 0.000 0.571 394 G N 0.874 109.946 108.800 0.454 0.000 3.197 394 G HA2 0.226 4.190 3.960 0.007 0.000 0.167 394 G HA3 0.226 4.190 3.960 0.007 0.000 0.167 394 G C -0.580 174.510 174.900 0.318 0.000 1.914 394 G CA -0.030 45.281 45.100 0.352 0.000 0.956 394 G HN 0.343 nan 8.290 nan 0.000 0.480 395 T N 0.212 114.904 114.554 0.229 0.000 2.797 395 T HA 0.398 4.752 4.350 0.007 0.000 0.279 395 T C -1.548 173.278 174.700 0.210 0.000 0.991 395 T CA -0.174 62.044 62.100 0.196 0.000 0.979 395 T CB 1.592 70.510 68.868 0.082 0.000 0.943 395 T HN 0.275 nan 8.240 nan 0.000 0.444 396 W N 2.015 123.281 121.300 -0.057 0.000 2.390 396 W HA 0.615 5.279 4.660 0.006 0.000 0.312 396 W C 0.794 177.281 176.519 -0.053 0.000 1.123 396 W CA -0.423 56.852 57.345 -0.117 0.000 1.202 396 W CB 0.896 30.219 29.460 -0.228 0.000 1.251 396 W HN 0.852 nan 8.180 nan 0.000 0.511 397 G N 1.265 110.111 108.800 0.076 0.000 2.528 397 G HA2 0.421 4.385 3.960 0.007 0.000 0.289 397 G HA3 0.421 4.385 3.960 0.007 0.000 0.289 397 G C 0.087 175.040 174.900 0.089 0.000 1.192 397 G CA 0.137 45.284 45.100 0.078 0.000 0.921 397 G HN 0.698 nan 8.290 nan 0.000 0.512 398 E N -2.909 117.319 120.200 0.047 0.000 4.795 398 E HA -0.281 4.073 4.350 0.007 0.000 0.162 398 E C 0.570 177.195 176.600 0.043 0.000 1.142 398 E CA 1.758 58.174 56.400 0.027 0.000 2.419 398 E CB -1.596 28.110 29.700 0.010 0.000 1.740 398 E HN 0.985 nan 8.360 nan 0.000 0.493 399 V N -2.679 117.290 119.914 0.092 0.000 2.962 399 V HA 0.872 4.996 4.120 0.007 0.000 0.313 399 V C 0.416 176.516 176.094 0.010 0.000 1.099 399 V CA 0.253 62.581 62.300 0.047 0.000 0.971 399 V CB 1.705 33.556 31.823 0.046 0.000 1.028 399 V HN 0.974 nan 8.190 nan 0.000 0.430 400 G N 3.243 112.015 108.800 -0.046 0.000 2.587 400 G HA2 -0.131 3.833 3.960 0.007 0.000 0.212 400 G HA3 -0.131 3.833 3.960 0.007 0.000 0.212 400 G C 0.211 175.085 174.900 -0.044 0.000 1.327 400 G CA 0.365 45.409 45.100 -0.093 0.000 0.898 400 G HN 2.027 nan 8.290 nan 0.000 0.551 401 M N -0.846 118.723 119.600 -0.052 0.000 2.558 401 M HA 0.559 5.043 4.480 0.007 0.000 0.255 401 M C 1.739 178.042 176.300 0.005 0.000 1.113 401 M CA 1.961 57.249 55.300 -0.020 0.000 1.097 401 M CB 0.296 32.882 32.600 -0.023 0.000 1.426 401 M HN 1.440 nan 8.290 nan 0.000 0.488 402 A N 1.177 124.016 122.820 0.031 0.000 2.842 402 A HA 0.322 4.646 4.320 0.007 0.000 0.298 402 A C 1.337 179.004 177.584 0.138 0.000 1.293 402 A CA 0.061 52.144 52.037 0.076 0.000 0.959 402 A CB -0.773 18.279 19.000 0.087 0.000 1.119 402 A HN 0.569 nan 8.150 nan 0.000 0.564 403 T N -3.943 110.661 114.554 0.083 0.000 3.044 403 T HA 0.118 4.472 4.350 0.007 0.000 0.260 403 T C 0.129 174.838 174.700 0.016 0.000 1.019 403 T CA -0.120 62.010 62.100 0.050 0.000 0.921 403 T CB -0.096 68.780 68.868 0.014 0.000 1.053 403 T HN 0.255 nan 8.240 nan 0.000 0.533 404 D N 3.599 124.023 120.400 0.041 0.000 2.358 404 D HA 0.158 4.802 4.640 0.007 0.000 0.258 404 D C -2.208 174.126 176.300 0.057 0.000 1.223 404 D CA -1.802 52.214 54.000 0.027 0.000 0.886 404 D CB 1.760 42.574 40.800 0.024 0.000 1.120 404 D HN 0.098 nan 8.370 nan 0.000 0.482 405 P HA 0.016 nan 4.420 nan 0.000 0.286 405 P C 0.194 177.537 177.300 0.071 0.000 1.577 405 P CA 0.526 63.641 63.100 0.023 0.000 0.805 405 P CB 0.153 31.835 31.700 -0.031 0.000 1.706 406 E N -1.627 118.625 120.200 0.088 0.000 3.777 406 E HA -0.028 4.326 4.350 0.007 0.000 0.247 406 E C 1.449 178.091 176.600 0.070 0.000 1.256 406 E CA 0.177 56.616 56.400 0.065 0.000 1.786 406 E CB -0.256 29.466 29.700 0.037 0.000 1.722 406 E HN -0.186 nan 8.360 nan 0.000 0.810 407 V N 1.858 121.812 119.914 0.066 0.000 2.282 407 V HA -0.279 3.845 4.120 0.007 0.000 0.249 407 V C 2.460 178.594 176.094 0.066 0.000 1.057 407 V CA 2.636 64.969 62.300 0.056 0.000 1.032 407 V CB -0.926 30.920 31.823 0.039 0.000 0.645 407 V HN 0.449 nan 8.190 nan 0.000 0.447 408 H N 0.463 119.540 119.070 0.011 0.000 2.353 408 H HA -0.201 4.359 4.556 0.007 0.000 0.298 408 H C 1.925 177.264 175.328 0.018 0.000 1.103 408 H CA 2.409 58.466 56.048 0.015 0.000 1.293 408 H CB -0.126 29.641 29.762 0.009 0.000 1.372 408 H HN 0.459 nan 8.280 nan 0.000 0.501 409 D N -0.367 120.078 120.400 0.075 0.000 2.234 409 D HA -0.082 4.562 4.640 0.007 0.000 0.205 409 D C 2.299 178.585 176.300 -0.023 0.000 0.962 409 D CA 0.995 55.021 54.000 0.043 0.000 0.855 409 D CB 0.007 40.871 40.800 0.107 0.000 0.951 409 D HN 0.540 nan 8.370 nan 0.000 0.500 410 R N 0.397 120.892 120.500 -0.008 0.000 2.057 410 R HA -0.031 4.313 4.340 0.007 0.000 0.229 410 R C 1.837 178.132 176.300 -0.008 0.000 1.136 410 R CA 0.647 56.749 56.100 0.004 0.000 0.952 410 R CB -0.947 29.375 30.300 0.036 0.000 0.848 410 R HN 0.121 nan 8.270 nan 0.000 0.430 411 L N 1.745 122.954 121.223 -0.023 0.000 1.978 411 L HA -0.180 4.164 4.340 0.007 0.000 0.218 411 L C 2.703 179.549 176.870 -0.040 0.000 1.075 411 L CA 1.420 56.255 54.840 -0.007 0.000 0.767 411 L CB -1.363 40.681 42.059 -0.026 0.000 0.890 411 L HN -0.049 nan 8.230 nan 0.000 0.434 412 V N -0.501 119.330 119.914 -0.137 0.000 2.282 412 V HA -0.339 3.785 4.120 0.007 0.000 0.249 412 V C 2.748 178.804 176.094 -0.063 0.000 1.057 412 V CA 1.975 64.194 62.300 -0.136 0.000 1.032 412 V CB -0.707 30.973 31.823 -0.239 0.000 0.645 412 V HN 0.423 nan 8.190 nan 0.000 0.447 413 R N -0.588 119.885 120.500 -0.045 0.000 2.120 413 R HA -0.157 4.187 4.340 0.007 0.000 0.234 413 R C 2.285 178.579 176.300 -0.010 0.000 1.123 413 R CA 1.377 57.465 56.100 -0.019 0.000 0.975 413 R CB -0.193 30.101 30.300 -0.010 0.000 0.866 413 R HN 0.613 nan 8.270 nan 0.000 0.446 414 Q N -1.149 118.653 119.800 0.003 0.000 2.444 414 Q HA 0.031 4.375 4.340 0.007 0.000 0.206 414 Q C 0.670 176.711 176.000 0.068 0.000 0.948 414 Q CA 0.658 56.469 55.803 0.014 0.000 0.946 414 Q CB 0.901 29.656 28.738 0.028 0.000 1.027 414 Q HN 0.610 nan 8.270 nan 0.000 0.513 415 G N 0.241 109.057 108.800 0.026 0.000 2.176 415 G HA2 -0.218 3.746 3.960 0.007 0.000 0.232 415 G HA3 -0.218 3.746 3.960 0.007 0.000 0.232 415 G C 0.124 174.947 174.900 -0.129 0.000 0.986 415 G CA -0.006 45.079 45.100 -0.025 0.000 0.643 415 G HN 0.201 nan 8.290 nan 0.000 0.522 416 V N 3.079 122.956 119.914 -0.061 0.000 2.313 416 V HA 0.436 4.560 4.120 0.007 0.000 0.252 416 V C 1.157 177.200 176.094 -0.085 0.000 1.112 416 V CA -0.289 61.939 62.300 -0.120 0.000 0.984 416 V CB 0.422 32.268 31.823 0.038 0.000 1.157 416 V HN 0.359 nan 8.190 nan 0.000 0.493 417 L N 3.115 124.270 121.223 -0.113 0.000 2.453 417 L HA 0.573 4.917 4.340 0.007 0.000 0.261 417 L C 0.978 177.819 176.870 -0.049 0.000 1.179 417 L CA -0.323 54.468 54.840 -0.081 0.000 0.813 417 L CB 0.571 42.586 42.059 -0.073 0.000 1.110 417 L HN 0.590 nan 8.230 nan 0.000 0.466 418 A N 3.278 126.077 122.820 -0.034 0.000 2.409 418 A HA 0.450 4.774 4.320 0.007 0.000 0.267 418 A C 0.016 177.566 177.584 -0.056 0.000 1.127 418 A CA -0.341 51.695 52.037 -0.003 0.000 0.795 418 A CB 0.051 19.111 19.000 0.100 0.000 1.061 418 A HN 0.696 nan 8.150 nan 0.000 0.502 419 M N 2.175 121.702 119.600 -0.122 0.000 2.255 419 M HA 0.181 4.665 4.480 0.007 0.000 0.336 419 M C 0.181 176.290 176.300 -0.319 0.000 1.135 419 M CA -0.028 55.136 55.300 -0.227 0.000 1.145 419 M CB 0.670 33.059 32.600 -0.353 0.000 1.473 419 M HN 0.611 nan 8.290 nan 0.000 0.462 420 E N 2.530 122.525 120.200 -0.342 0.000 2.290 420 E HA 0.100 4.454 4.350 0.007 0.000 0.277 420 E C -1.912 174.417 176.600 -0.452 0.000 1.035 420 E CA -1.483 54.686 56.400 -0.384 0.000 0.873 420 E CB 0.484 29.858 29.700 -0.544 0.000 1.029 420 E HN 0.375 nan 8.360 nan 0.000 0.419 421 P HA -0.226 nan 4.420 nan 0.000 0.217 421 P C 1.067 178.150 177.300 -0.361 0.000 1.158 421 P CA 1.363 64.122 63.100 -0.567 0.000 0.887 421 P CB 0.363 31.966 31.700 -0.162 0.000 0.792 422 E N -1.755 118.343 120.200 -0.170 0.000 2.110 422 E HA -0.197 4.157 4.350 0.007 0.000 0.193 422 E C 1.958 178.592 176.600 0.057 0.000 0.988 422 E CA 1.320 57.703 56.400 -0.028 0.000 0.804 422 E CB -0.832 28.883 29.700 0.025 0.000 0.745 422 E HN 0.465 nan 8.360 nan 0.000 0.458 423 H N 0.362 119.321 119.070 -0.185 0.000 2.363 423 H HA 0.102 4.662 4.556 0.007 0.000 0.301 423 H C 1.948 177.206 175.328 -0.116 0.000 1.074 423 H CA 1.205 57.175 56.048 -0.130 0.000 1.354 423 H CB -0.458 29.227 29.762 -0.127 0.000 1.397 423 H HN 0.191 nan 8.280 nan 0.000 0.516 424 A N 0.631 123.358 122.820 -0.154 0.000 1.898 424 A HA -0.081 4.243 4.320 0.007 0.000 0.216 424 A C 2.395 180.045 177.584 0.108 0.000 1.181 424 A CA 1.209 53.156 52.037 -0.149 0.000 0.620 424 A CB -0.770 17.686 19.000 -0.906 0.000 0.819 424 A HN 0.334 nan 8.150 nan 0.000 0.442 425 L N -0.872 120.352 121.223 0.003 0.000 2.217 425 L HA -0.036 4.308 4.340 0.007 0.000 0.211 425 L C 2.727 179.691 176.870 0.157 0.000 1.107 425 L CA 0.736 55.685 54.840 0.181 0.000 0.783 425 L CB -0.615 41.523 42.059 0.130 0.000 0.919 425 L HN 0.494 nan 8.230 nan 0.000 0.442 426 G N -0.221 108.632 108.800 0.088 0.000 2.408 426 G HA2 -0.204 3.760 3.960 0.007 0.000 0.217 426 G HA3 -0.204 3.760 3.960 0.007 0.000 0.217 426 G C 1.768 176.714 174.900 0.077 0.000 1.150 426 G CA 0.762 45.899 45.100 0.062 0.000 0.776 426 G HN 0.439 nan 8.290 nan 0.000 0.542 427 A N 0.348 123.228 122.820 0.099 0.000 1.929 427 A HA 0.148 4.472 4.320 0.007 0.000 0.216 427 A C 2.306 179.965 177.584 0.126 0.000 1.176 427 A CA 1.533 53.629 52.037 0.100 0.000 0.628 427 A CB -0.360 18.712 19.000 0.121 0.000 0.816 427 A HN 0.428 nan 8.150 nan 0.000 0.444 428 L N 0.168 121.516 121.223 0.207 0.000 2.056 428 L HA -0.132 4.212 4.340 0.007 0.000 0.207 428 L C 1.565 178.548 176.870 0.188 0.000 1.078 428 L CA 2.452 57.421 54.840 0.215 0.000 0.749 428 L CB -0.753 41.543 42.059 0.395 0.000 0.901 428 L HN 0.304 nan 8.230 nan 0.000 0.433 429 D N -0.474 120.034 120.400 0.180 0.000 2.133 429 D HA -0.238 4.406 4.640 0.007 0.000 0.195 429 D C 2.176 178.536 176.300 0.100 0.000 0.997 429 D CA 1.481 55.566 54.000 0.143 0.000 0.840 429 D CB -0.139 40.730 40.800 0.114 0.000 0.947 429 D HN 0.563 nan 8.370 nan 0.000 0.452 430 Q N -0.279 119.567 119.800 0.076 0.000 2.096 430 Q HA -0.147 4.197 4.340 0.007 0.000 0.204 430 Q C 2.252 178.275 176.000 0.039 0.000 0.982 430 Q CA 0.950 56.779 55.803 0.045 0.000 0.850 430 Q CB -0.163 28.590 28.738 0.026 0.000 0.901 430 Q HN 0.354 nan 8.270 nan 0.000 0.422 431 M N 0.574 120.202 119.600 0.048 0.000 2.086 431 M HA -0.167 4.317 4.480 0.007 0.000 0.261 431 M C 1.899 178.227 176.300 0.045 0.000 1.067 431 M CA 1.461 56.780 55.300 0.032 0.000 1.116 431 M CB 0.041 32.657 32.600 0.028 0.000 1.348 431 M HN 0.208 nan 8.290 nan 0.000 0.407 432 L N -0.172 121.099 121.223 0.080 0.000 2.131 432 L HA -0.179 4.165 4.340 0.007 0.000 0.210 432 L C 2.414 179.326 176.870 0.070 0.000 1.092 432 L CA 0.893 55.787 54.840 0.090 0.000 0.759 432 L CB -0.744 41.404 42.059 0.148 0.000 0.903 432 L HN 0.305 nan 8.230 nan 0.000 0.435 433 E N 0.089 120.327 120.200 0.064 0.000 2.152 433 E HA -0.140 4.214 4.350 0.007 0.000 0.192 433 E C 1.598 178.217 176.600 0.031 0.000 0.983 433 E CA 0.832 57.261 56.400 0.049 0.000 0.818 433 E CB -0.211 29.515 29.700 0.043 0.000 0.758 433 E HN 0.498 nan 8.360 nan 0.000 0.467 434 N N 1.169 119.883 118.700 0.022 0.000 2.515 434 N HA -0.103 4.641 4.740 0.007 0.000 0.185 434 N C -0.258 175.256 175.510 0.006 0.000 1.109 434 N CA 0.404 53.459 53.050 0.007 0.000 0.903 434 N CB 0.072 38.553 38.487 -0.010 0.000 0.969 434 N HN -0.027 nan 8.380 nan 0.000 0.450 435 D N 0.852 121.263 120.400 0.019 0.000 2.692 435 D HA -0.199 4.445 4.640 0.007 0.000 0.233 435 D C -1.261 175.042 176.300 0.006 0.000 1.172 435 D CA 0.561 54.571 54.000 0.017 0.000 0.636 435 D CB -0.915 39.894 40.800 0.016 0.000 1.028 435 D HN 0.229 nan 8.370 nan 0.000 0.419 436 D N -0.727 119.673 120.400 0.001 0.000 2.372 436 D HA 0.109 4.753 4.640 0.007 0.000 0.243 436 D C 1.417 177.717 176.300 0.001 0.000 1.121 436 D CA 0.124 54.118 54.000 -0.009 0.000 0.898 436 D CB 1.038 41.823 40.800 -0.024 0.000 1.202 436 D HN 0.112 nan 8.370 nan 0.000 0.428 437 T N 0.231 114.788 114.554 0.005 0.000 2.894 437 T HA 0.193 4.547 4.350 0.007 0.000 0.258 437 T C 0.569 175.275 174.700 0.010 0.000 1.043 437 T CA 0.716 62.821 62.100 0.008 0.000 1.141 437 T CB 0.267 69.139 68.868 0.007 0.000 0.873 437 T HN 0.544 nan 8.240 nan 0.000 0.449 438 A N 0.004 122.838 122.820 0.023 0.000 2.549 438 A HA 0.870 5.194 4.320 0.007 0.000 0.297 438 A C -1.279 176.331 177.584 0.043 0.000 1.061 438 A CA -0.385 51.666 52.037 0.024 0.000 0.690 438 A CB 1.521 20.546 19.000 0.042 0.000 1.287 438 A HN 0.494 nan 8.150 nan 0.000 0.402 439 A N -0.046 122.783 122.820 0.016 0.000 2.597 439 A HA 0.900 5.224 4.320 0.007 0.000 0.292 439 A C -0.688 176.904 177.584 0.013 0.000 1.057 439 A CA 0.074 52.140 52.037 0.048 0.000 0.674 439 A CB 0.739 19.748 19.000 0.014 0.000 1.278 439 A HN 2.555 nan 8.150 nan 0.000 0.416 440 A N 0.992 123.877 122.820 0.108 0.000 2.318 440 A HA 0.757 5.081 4.320 0.007 0.000 0.317 440 A C -0.741 176.963 177.584 0.199 0.000 1.159 440 A CA -0.329 51.776 52.037 0.112 0.000 0.799 440 A CB 0.296 19.419 19.000 0.205 0.000 1.194 440 A HN 0.771 nan 8.150 nan 0.000 0.479 441 I N 2.296 122.944 120.570 0.130 0.000 2.382 441 I HA 0.519 4.693 4.170 0.007 0.000 0.285 441 I C -0.068 176.252 176.117 0.338 0.000 1.007 441 I CA -0.110 61.331 61.300 0.236 0.000 1.142 441 I CB 1.825 39.930 38.000 0.174 0.000 1.289 441 I HN 0.632 nan 8.210 nan 0.000 0.453 442 T N 6.525 121.272 114.554 0.323 0.000 3.159 442 T HA 0.350 4.704 4.350 0.007 0.000 0.343 442 T C -1.619 173.180 174.700 0.166 0.000 1.364 442 T CA -0.465 61.773 62.100 0.231 0.000 1.102 442 T CB 1.428 70.417 68.868 0.202 0.000 1.263 442 T HN 0.338 nan 8.240 nan 0.000 0.477 443 L N 6.199 127.457 121.223 0.059 0.000 2.260 443 L HA 0.695 5.039 4.340 0.007 0.000 0.289 443 L C -0.689 176.078 176.870 -0.171 0.000 1.057 443 L CA -0.050 54.795 54.840 0.008 0.000 0.811 443 L CB 0.512 42.576 42.059 0.008 0.000 1.184 443 L HN 0.629 nan 8.230 nan 0.000 0.429 444 M N 3.876 123.296 119.600 -0.300 0.000 2.364 444 M HA 0.308 4.792 4.480 0.007 0.000 0.334 444 M C -0.791 175.204 176.300 -0.508 0.000 1.107 444 M CA -0.566 54.299 55.300 -0.725 0.000 0.988 444 M CB 1.467 33.050 32.600 -1.694 0.000 1.673 444 M HN 0.482 nan 8.290 nan 0.000 0.441 445 D N 1.701 121.855 120.400 -0.410 0.000 2.456 445 D HA 0.181 4.825 4.640 0.007 0.000 0.219 445 D C 0.266 176.457 176.300 -0.183 0.000 1.126 445 D CA -0.125 53.754 54.000 -0.202 0.000 0.890 445 D CB 0.395 41.142 40.800 -0.088 0.000 1.025 445 D HN 0.527 nan 8.370 nan 0.000 0.511 446 W N 2.087 123.382 121.300 -0.008 0.000 2.519 446 W HA -0.029 4.636 4.660 0.009 0.000 0.266 446 W C 1.996 178.543 176.519 0.045 0.000 1.253 446 W CA -0.200 57.149 57.345 0.006 0.000 1.274 446 W CB 0.401 29.853 29.460 -0.014 0.000 1.114 446 W HN 0.398 nan 8.180 nan 0.000 0.596 447 E N 0.030 120.369 120.200 0.232 0.000 2.150 447 E HA -0.169 4.185 4.350 0.007 0.000 0.193 447 E C 1.926 178.592 176.600 0.109 0.000 0.985 447 E CA 1.361 57.852 56.400 0.151 0.000 0.814 447 E CB -0.465 29.296 29.700 0.102 0.000 0.752 447 E HN 0.459 nan 8.360 nan 0.000 0.466 448 M N -0.960 118.689 119.600 0.082 0.000 2.248 448 M HA 0.002 4.486 4.480 0.007 0.000 0.265 448 M C 2.138 178.474 176.300 0.059 0.000 1.079 448 M CA 0.849 56.179 55.300 0.049 0.000 1.150 448 M CB -0.272 32.339 32.600 0.018 0.000 1.366 448 M HN -0.025 nan 8.290 nan 0.000 0.433 449 F N 1.437 121.332 119.950 -0.092 0.000 2.128 449 F HA -0.038 4.493 4.527 0.007 0.000 0.295 449 F C 2.430 178.247 175.800 0.028 0.000 1.100 449 F CA 1.489 59.411 58.000 -0.129 0.000 1.260 449 F CB -0.199 38.535 39.000 -0.443 0.000 1.009 449 F HN 0.042 nan 8.300 nan 0.000 0.476 450 A N 0.408 123.413 122.820 0.308 0.000 1.898 450 A HA -0.060 4.264 4.320 0.007 0.000 0.216 450 A C -0.325 177.327 177.584 0.113 0.000 1.181 450 A CA 1.660 53.849 52.037 0.253 0.000 0.620 450 A CB -2.017 17.151 19.000 0.280 0.000 0.819 450 A HN 0.341 nan 8.150 nan 0.000 0.442 451 P HA -0.032 nan 4.420 nan 0.000 0.216 451 P C 1.798 179.090 177.300 -0.013 0.000 1.153 451 P CA 1.725 64.845 63.100 0.033 0.000 0.844 451 P CB -0.063 31.655 31.700 0.030 0.000 0.787 452 A N -0.968 121.818 122.820 -0.057 0.000 1.908 452 A HA -0.220 4.104 4.320 0.007 0.000 0.218 452 A C 2.113 179.622 177.584 -0.125 0.000 1.181 452 A CA 1.526 53.502 52.037 -0.102 0.000 0.627 452 A CB -1.876 17.044 19.000 -0.135 0.000 0.818 452 A HN 0.172 nan 8.150 nan 0.000 0.445 453 F N 1.502 121.233 119.950 -0.366 0.000 2.259 453 F HA -0.078 4.453 4.527 0.007 0.000 0.298 453 F C 2.225 177.930 175.800 -0.159 0.000 1.088 453 F CA 1.984 59.763 58.000 -0.368 0.000 1.358 453 F CB -0.006 38.601 39.000 -0.656 0.000 1.040 453 F HN 0.277 nan 8.300 nan 0.000 0.505 454 T N -2.310 112.257 114.554 0.022 0.000 3.186 454 T HA 0.423 4.777 4.350 0.007 0.000 0.257 454 T C 1.736 176.412 174.700 -0.039 0.000 1.029 454 T CA 0.241 62.342 62.100 0.002 0.000 0.916 454 T CB -0.129 68.797 68.868 0.096 0.000 1.041 454 T HN 0.188 nan 8.240 nan 0.000 0.562 455 A N 2.894 125.671 122.820 -0.071 0.000 1.933 455 A HA -0.082 4.242 4.320 0.007 0.000 0.218 455 A C 2.258 179.809 177.584 -0.054 0.000 1.175 455 A CA 1.321 53.326 52.037 -0.054 0.000 0.628 455 A CB -0.385 18.576 19.000 -0.065 0.000 0.814 455 A HN 0.549 nan 8.150 nan 0.000 0.444 456 N N -1.801 116.851 118.700 -0.081 0.000 2.250 456 N HA 0.135 4.879 4.740 0.007 0.000 0.190 456 N C 0.326 175.804 175.510 -0.053 0.000 1.116 456 N CA 0.232 53.242 53.050 -0.067 0.000 0.881 456 N CB 0.609 39.043 38.487 -0.088 0.000 1.006 456 N HN 0.473 nan 8.380 nan 0.000 0.491 457 R N 0.685 121.149 120.500 -0.060 0.000 2.536 457 R HA 0.297 4.641 4.340 0.007 0.000 0.269 457 R C -2.958 173.334 176.300 -0.013 0.000 1.113 457 R CA -1.180 54.900 56.100 -0.034 0.000 0.948 457 R CB 1.982 32.247 30.300 -0.057 0.000 1.237 457 R HN -0.159 nan 8.270 nan 0.000 0.441 458 P HA 0.022 nan 4.420 nan 0.000 0.270 458 P C -1.106 176.250 177.300 0.093 0.000 1.223 458 P CA -0.195 62.939 63.100 0.057 0.000 0.785 458 P CB 0.919 32.652 31.700 0.054 0.000 0.923 459 S N 0.801 116.589 115.700 0.146 0.000 2.667 459 S HA 0.504 4.978 4.470 0.007 0.000 0.304 459 S C 1.030 175.716 174.600 0.143 0.000 1.135 459 S CA -0.289 58.038 58.200 0.212 0.000 1.125 459 S CB -0.016 63.436 63.200 0.420 0.000 0.996 459 S HN 0.410 nan 8.310 nan 0.000 0.474 460 A N 5.596 128.485 122.820 0.115 0.000 2.019 460 A HA 0.001 4.325 4.320 0.007 0.000 0.219 460 A C 2.055 179.667 177.584 0.046 0.000 1.164 460 A CA 0.900 52.981 52.037 0.073 0.000 0.644 460 A CB -0.526 18.521 19.000 0.077 0.000 0.805 460 A HN 0.784 nan 8.150 nan 0.000 0.449 461 L N -0.028 121.241 121.223 0.077 0.000 2.043 461 L HA -0.149 4.195 4.340 0.007 0.000 0.212 461 L C 1.884 178.735 176.870 -0.031 0.000 1.075 461 L CA 2.041 56.899 54.840 0.030 0.000 0.752 461 L CB -1.023 41.103 42.059 0.111 0.000 0.891 461 L HN 0.490 nan 8.230 nan 0.000 0.432 462 L N -0.117 121.098 121.223 -0.013 0.000 2.591 462 L HA -0.006 4.338 4.340 0.007 0.000 0.228 462 L C 2.439 179.223 176.870 -0.143 0.000 1.133 462 L CA 0.655 55.422 54.840 -0.121 0.000 0.880 462 L CB -0.478 41.535 42.059 -0.077 0.000 1.033 462 L HN 0.347 nan 8.230 nan 0.000 0.450 463 S N -0.847 114.809 115.700 -0.072 0.000 2.465 463 S HA -0.161 4.313 4.470 0.007 0.000 0.241 463 S C 1.704 176.251 174.600 -0.088 0.000 1.000 463 S CA 1.529 59.692 58.200 -0.061 0.000 0.964 463 S CB -0.724 62.463 63.200 -0.022 0.000 0.763 463 S HN 0.557 nan 8.310 nan 0.000 0.512 464 T N -0.984 113.500 114.554 -0.117 0.000 3.086 464 T HA 0.399 4.753 4.350 0.007 0.000 0.250 464 T C 0.194 174.808 174.700 -0.143 0.000 1.074 464 T CA -0.331 61.705 62.100 -0.106 0.000 0.988 464 T CB 0.040 68.852 68.868 -0.093 0.000 0.988 464 T HN 0.185 nan 8.240 nan 0.000 0.530 465 V N 3.503 123.259 119.914 -0.264 0.000 2.311 465 V HA 0.275 4.399 4.120 0.007 0.000 0.275 465 V C -1.606 174.297 176.094 -0.318 0.000 1.022 465 V CA -1.812 60.250 62.300 -0.397 0.000 0.830 465 V CB 1.419 32.680 31.823 -0.937 0.000 1.012 465 V HN 0.077 nan 8.190 nan 0.000 0.452 466 P HA -0.143 nan 4.420 nan 0.000 0.217 466 P C 1.259 178.482 177.300 -0.129 0.000 1.148 466 P CA 1.104 64.145 63.100 -0.099 0.000 0.828 466 P CB 0.409 32.084 31.700 -0.041 0.000 0.783 467 E N -0.524 119.563 120.200 -0.188 0.000 2.153 467 E HA -0.127 4.227 4.350 0.007 0.000 0.194 467 E C 2.062 178.577 176.600 -0.143 0.000 0.988 467 E CA 1.407 57.724 56.400 -0.137 0.000 0.811 467 E CB -0.873 28.800 29.700 -0.044 0.000 0.746 467 E HN 0.194 nan 8.360 nan 0.000 0.466 468 A N 0.884 123.480 122.820 -0.373 0.000 1.854 468 A HA -0.128 4.196 4.320 0.007 0.000 0.214 468 A C 2.534 180.070 177.584 -0.081 0.000 1.192 468 A CA 1.510 53.427 52.037 -0.200 0.000 0.611 468 A CB -1.110 17.648 19.000 -0.404 0.000 0.832 468 A HN 0.215 nan 8.150 nan 0.000 0.442 469 V N -1.573 118.272 119.914 -0.115 0.000 2.278 469 V HA -0.184 3.940 4.120 0.007 0.000 0.251 469 V C 1.589 177.669 176.094 -0.023 0.000 1.062 469 V CA 1.840 64.107 62.300 -0.054 0.000 1.038 469 V CB -1.655 30.132 31.823 -0.060 0.000 0.646 469 V HN 0.410 nan 8.190 nan 0.000 0.447 470 S N -0.110 115.574 115.700 -0.025 0.000 2.537 470 S HA 0.430 4.904 4.470 0.007 0.000 0.286 470 S C 0.757 175.372 174.600 0.025 0.000 1.299 470 S CA 0.771 58.972 58.200 0.002 0.000 1.067 470 S CB -0.048 63.154 63.200 0.004 0.000 0.864 470 S HN 2.104 nan 8.310 nan 0.000 0.494 471 A N 4.623 127.458 122.820 0.026 0.000 4.880 471 A HA -0.200 4.124 4.320 0.007 0.000 0.284 471 A C 0.716 178.318 177.584 0.030 0.000 2.159 471 A CA 0.429 52.487 52.037 0.034 0.000 0.716 471 A CB -2.176 16.858 19.000 0.056 0.000 1.161 471 A HN 1.251 nan 8.150 nan 0.000 0.336 472 L N 0.000 121.247 121.223 0.040 0.000 2.949 472 L HA 0.000 4.344 4.340 0.007 0.000 0.249 472 L CA 0.000 54.864 54.840 0.039 0.000 0.813 472 L CB 0.000 42.082 42.059 0.038 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502