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 3mjs_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 VWGSGGQPGY 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 0.000 174.559 174.600 -0.068 0.000 1.055 -2 S CA 0.000 58.183 58.200 -0.029 0.000 1.107 -2 S CB 0.000 63.185 63.200 -0.024 0.000 0.593 -1 H N 3.220 122.201 119.070 -0.147 0.000 2.387 -1 H HA 0.152 4.711 4.556 0.004 0.000 0.299 -1 H C 1.870 177.094 175.328 -0.173 0.000 1.090 -1 H CA 2.820 58.744 56.048 -0.206 0.000 1.332 -1 H CB -0.007 29.511 29.762 -0.407 0.000 1.386 -1 H HN 0.641 nan 8.280 nan 0.000 0.516 0 M N -0.588 118.978 119.600 -0.055 0.000 2.193 0 M HA -0.111 4.371 4.480 0.004 0.000 0.265 0 M C 1.540 177.829 176.300 -0.019 0.000 1.071 0 M CA 1.108 56.396 55.300 -0.021 0.000 1.140 0 M CB 0.158 32.758 32.600 -0.001 0.000 1.369 0 M HN 0.146 nan 8.290 nan 0.000 0.423 1 D N 1.012 121.387 120.400 -0.042 0.000 2.149 1 D HA -0.112 4.531 4.640 0.004 0.000 0.198 1 D C 1.891 178.133 176.300 -0.096 0.000 0.990 1 D CA 1.576 55.540 54.000 -0.060 0.000 0.839 1 D CB -0.118 40.640 40.800 -0.071 0.000 0.948 1 D HN 0.351 nan 8.370 nan 0.000 0.460 2 A N 0.122 122.880 122.820 -0.104 0.000 2.168 2 A HA -0.001 4.321 4.320 0.004 0.000 0.215 2 A C 2.177 179.732 177.584 -0.049 0.000 1.152 2 A CA 0.389 52.362 52.037 -0.106 0.000 0.716 2 A CB -0.386 18.535 19.000 -0.133 0.000 0.794 2 A HN 0.211 nan 8.150 nan 0.000 0.465 3 L N -1.096 120.121 121.223 -0.009 0.000 2.446 3 L HA 0.096 4.438 4.340 0.004 0.000 0.219 3 L C 0.750 177.685 176.870 0.109 0.000 1.116 3 L CA 0.136 55.042 54.840 0.111 0.000 0.844 3 L CB -0.103 42.030 42.059 0.124 0.000 0.970 3 L HN 0.231 nan 8.230 nan 0.000 0.457 4 R N -0.198 120.260 120.500 -0.070 0.000 2.312 4 R HA 0.485 4.827 4.340 0.004 0.000 0.311 4 R C -1.500 174.642 176.300 -0.264 0.000 1.004 4 R CA -0.371 55.712 56.100 -0.029 0.000 0.902 4 R CB 1.154 31.449 30.300 -0.009 0.000 1.073 4 R HN -0.138 nan 8.270 nan 0.000 0.457 5 Y N 1.295 121.598 120.300 0.005 0.000 2.576 5 Y HA 0.383 4.935 4.550 0.003 0.000 0.346 5 Y C 0.467 176.356 175.900 -0.017 0.000 1.018 5 Y CA -0.917 57.132 58.100 -0.085 0.000 1.050 5 Y CB 1.817 40.243 38.460 -0.057 0.000 1.280 5 Y HN 0.585 nan 8.280 nan 0.000 0.474 6 H N -0.034 119.130 119.070 0.157 0.000 2.985 6 H HA 0.558 5.116 4.556 0.003 0.000 0.360 6 H C -1.436 173.928 175.328 0.061 0.000 1.221 6 H CA -1.149 54.956 56.048 0.096 0.000 1.121 6 H CB 1.678 31.476 29.762 0.060 0.000 1.854 6 H HN 0.416 nan 8.280 nan 0.000 0.551 7 I N 2.138 122.875 120.570 0.278 0.000 2.441 7 I HA 0.137 4.309 4.170 0.004 0.000 0.287 7 I C 0.349 176.546 176.117 0.134 0.000 1.049 7 I CA 0.313 61.684 61.300 0.118 0.000 1.381 7 I CB 0.825 38.849 38.000 0.040 0.000 1.409 7 I HN 0.667 nan 8.210 nan 0.000 0.523 8 E N 4.721 124.936 120.200 0.026 0.000 2.359 8 E HA 0.463 4.815 4.350 0.004 0.000 0.266 8 E C -1.716 174.787 176.600 -0.161 0.000 0.920 8 E CA -0.652 55.786 56.400 0.063 0.000 0.788 8 E CB 2.171 31.957 29.700 0.143 0.000 1.279 8 E HN 0.368 nan 8.360 nan 0.000 0.438 9 W N 1.040 122.363 121.300 0.040 0.000 2.619 9 W HA 0.402 5.061 4.660 -0.002 0.000 0.327 9 W C -0.504 176.038 176.519 0.038 0.000 1.027 9 W CA -0.443 56.925 57.345 0.037 0.000 1.233 9 W CB 1.284 30.750 29.460 0.010 0.000 1.370 9 W HN 0.242 nan 8.180 nan 0.000 0.453 10 N N 2.150 120.987 118.700 0.229 0.000 2.314 10 N HA 0.388 5.130 4.740 0.004 0.000 0.304 10 N C -0.646 174.961 175.510 0.160 0.000 1.073 10 N CA -1.099 52.043 53.050 0.153 0.000 0.822 10 N CB 1.744 40.284 38.487 0.088 0.000 1.280 10 N HN 0.364 nan 8.380 nan 0.000 0.489 11 R N 0.984 121.556 120.500 0.120 0.000 2.491 11 R HA 0.294 4.636 4.340 0.004 0.000 0.283 11 R C -0.143 176.210 176.300 0.089 0.000 1.072 11 R CA -0.352 55.809 56.100 0.103 0.000 1.048 11 R CB 0.230 30.573 30.300 0.072 0.000 0.983 11 R HN 0.448 nan 8.270 nan 0.000 0.450 12 V N 1.295 121.265 119.914 0.093 0.000 3.096 12 V HA 0.766 4.888 4.120 0.004 0.000 0.319 12 V C 0.141 176.272 176.094 0.062 0.000 1.103 12 V CA -1.007 61.341 62.300 0.080 0.000 1.016 12 V CB 1.386 33.267 31.823 0.097 0.000 1.090 12 V HN 0.952 nan 8.190 nan 0.000 0.449 13 A N 1.055 123.907 122.820 0.053 0.000 2.520 13 A HA 0.314 4.636 4.320 0.004 0.000 0.235 13 A C 0.499 178.106 177.584 0.039 0.000 1.065 13 A CA -0.102 51.959 52.037 0.041 0.000 0.764 13 A CB -0.355 18.667 19.000 0.037 0.000 1.002 13 A HN 0.893 nan 8.150 nan 0.000 0.502 14 E N 2.148 122.366 120.200 0.029 0.000 2.414 14 E HA 0.196 4.548 4.350 0.004 0.000 0.263 14 E C -1.728 174.882 176.600 0.017 0.000 1.000 14 E CA -0.930 55.482 56.400 0.021 0.000 0.914 14 E CB -0.048 29.660 29.700 0.014 0.000 0.948 14 E HN 0.556 nan 8.360 nan 0.000 0.444 15 P HA 0.175 nan 4.420 nan 0.000 0.277 15 P C 0.260 177.559 177.300 -0.002 0.000 1.271 15 P CA -0.504 62.598 63.100 0.003 0.000 0.795 15 P CB 0.495 32.187 31.700 -0.013 0.000 1.101 16 G N -0.849 107.948 108.800 -0.004 0.000 2.683 16 G HA2 0.304 4.267 3.960 0.004 0.000 0.260 16 G HA3 0.304 4.267 3.960 0.004 0.000 0.260 16 G C 0.833 175.723 174.900 -0.017 0.000 1.238 16 G CA 0.260 45.355 45.100 -0.008 0.000 0.934 16 G HN 0.617 nan 8.290 nan 0.000 0.534 17 T N -3.324 111.220 114.554 -0.018 0.000 3.023 17 T HA 0.532 4.884 4.350 0.004 0.000 0.253 17 T C 0.888 175.571 174.700 -0.028 0.000 1.038 17 T CA 0.580 62.668 62.100 -0.020 0.000 0.962 17 T CB 0.296 69.156 68.868 -0.014 0.000 1.018 17 T HN 0.814 nan 8.240 nan 0.000 0.521 18 A N 1.931 124.732 122.820 -0.032 0.000 2.310 18 A HA 0.684 5.006 4.320 0.004 0.000 0.299 18 A C 0.362 177.909 177.584 -0.062 0.000 1.147 18 A CA -0.951 51.061 52.037 -0.042 0.000 0.818 18 A CB 0.537 19.515 19.000 -0.038 0.000 1.096 18 A HN 0.487 nan 8.150 nan 0.000 0.495 19 R N 1.392 121.852 120.500 -0.067 0.000 2.726 19 R HA 0.318 4.660 4.340 0.004 0.000 0.272 19 R C -2.366 173.848 176.300 -0.143 0.000 1.097 19 R CA -1.308 54.736 56.100 -0.093 0.000 1.198 19 R CB -0.415 29.838 30.300 -0.077 0.000 1.114 19 R HN 0.449 nan 8.270 nan 0.000 0.550 20 P HA -0.048 nan 4.420 nan 0.000 0.266 20 P C -0.220 176.918 177.300 -0.269 0.000 1.195 20 P CA 0.312 63.166 63.100 -0.410 0.000 0.768 20 P CB 0.727 32.012 31.700 -0.692 0.000 0.838 21 A N 3.483 126.168 122.820 -0.225 0.000 1.898 21 A HA 0.100 4.423 4.320 0.004 0.000 0.216 21 A C 1.397 178.942 177.584 -0.064 0.000 1.181 21 A CA 1.613 53.588 52.037 -0.102 0.000 0.620 21 A CB -1.299 17.670 19.000 -0.052 0.000 0.819 21 A HN 0.630 nan 8.150 nan 0.000 0.442 22 G N -1.012 107.760 108.800 -0.047 0.000 2.616 22 G HA2 0.430 4.392 3.960 0.004 0.000 0.268 22 G HA3 0.430 4.392 3.960 0.004 0.000 0.268 22 G C -0.033 174.910 174.900 0.071 0.000 1.213 22 G CA -0.691 44.443 45.100 0.056 0.000 0.926 22 G HN 0.477 nan 8.290 nan 0.000 0.523 23 R N -0.939 119.625 120.500 0.107 0.000 2.490 23 R HA 0.329 4.672 4.340 0.004 0.000 0.280 23 R C 0.055 176.548 176.300 0.320 0.000 1.077 23 R CA -0.231 55.971 56.100 0.170 0.000 1.065 23 R CB 0.497 30.886 30.300 0.149 0.000 1.003 23 R HN 0.320 nan 8.270 nan 0.000 0.470 24 L N 3.679 125.044 121.223 0.237 0.000 2.379 24 L HA 0.389 4.731 4.340 0.004 0.000 0.269 24 L C -0.589 176.345 176.870 0.107 0.000 1.084 24 L CA -0.912 54.038 54.840 0.183 0.000 0.802 24 L CB 1.114 43.224 42.059 0.086 0.000 1.175 24 L HN 0.379 nan 8.230 nan 0.000 0.448 25 L N 2.626 123.766 121.223 -0.138 0.000 2.298 25 L HA 0.682 5.024 4.340 0.004 0.000 0.284 25 L C -0.228 176.544 176.870 -0.164 0.000 1.013 25 L CA -0.154 54.464 54.840 -0.370 0.000 0.824 25 L CB 1.210 42.702 42.059 -0.944 0.000 1.221 25 L HN 0.622 nan 8.230 nan 0.000 0.418 26 A N 4.968 127.735 122.820 -0.088 0.000 2.301 26 A HA 0.767 5.089 4.320 0.004 0.000 0.312 26 A C -0.996 176.568 177.584 -0.034 0.000 1.182 26 A CA -0.523 51.487 52.037 -0.045 0.000 0.826 26 A CB 1.133 20.111 19.000 -0.036 0.000 1.134 26 A HN 0.528 nan 8.150 nan 0.000 0.501 27 V N 3.899 123.800 119.914 -0.020 0.000 2.409 27 V HA 0.436 4.558 4.120 0.004 0.000 0.291 27 V C -0.365 175.683 176.094 -0.077 0.000 1.020 27 V CA -0.085 62.206 62.300 -0.016 0.000 0.848 27 V CB 1.046 32.889 31.823 0.034 0.000 0.990 27 V HN 0.750 nan 8.190 nan 0.000 0.430 28 I N 2.773 123.253 120.570 -0.149 0.000 2.569 28 I HA 0.418 4.590 4.170 0.004 0.000 0.296 28 I C 0.227 176.237 176.117 -0.179 0.000 1.028 28 I CA -0.408 60.801 61.300 -0.151 0.000 1.082 28 I CB 2.275 40.181 38.000 -0.157 0.000 1.264 28 I HN 0.538 nan 8.210 nan 0.000 0.429 29 S N 6.359 121.998 115.700 -0.103 0.000 2.411 29 S HA 0.329 4.801 4.470 0.004 0.000 0.294 29 S C -1.421 173.151 174.600 -0.047 0.000 1.115 29 S CA -1.560 56.612 58.200 -0.047 0.000 1.071 29 S CB 0.720 63.958 63.200 0.064 0.000 0.967 29 S HN 0.406 nan 8.310 nan 0.000 0.488 30 P HA -0.014 nan 4.420 nan 0.000 0.221 30 P C 0.240 177.472 177.300 -0.114 0.000 1.150 30 P CA 0.817 63.850 63.100 -0.112 0.000 0.800 30 P CB 0.148 31.771 31.700 -0.129 0.000 0.787 31 D N -1.305 119.025 120.400 -0.117 0.000 2.355 31 D HA -0.033 4.609 4.640 0.004 0.000 0.218 31 D C 0.140 176.093 176.300 -0.578 0.000 1.004 31 D CA 0.831 54.650 54.000 -0.302 0.000 0.880 31 D CB -0.425 40.181 40.800 -0.323 0.000 0.911 31 D HN 0.424 nan 8.370 nan 0.000 0.528 32 H N -0.981 118.055 119.070 -0.057 0.000 2.712 32 H HA 0.526 5.084 4.556 0.004 0.000 0.226 32 H C 0.018 175.286 175.328 -0.101 0.000 1.422 32 H CA -0.209 55.807 56.048 -0.053 0.000 1.270 32 H CB 1.003 30.755 29.762 -0.017 0.000 1.891 32 H HN -0.010 nan 8.280 nan 0.000 0.518 33 A N 0.165 122.941 122.820 -0.074 0.000 2.609 33 A HA 0.409 4.731 4.320 0.004 0.000 0.286 33 A C 1.844 179.337 177.584 -0.151 0.000 1.138 33 A CA 0.341 52.295 52.037 -0.138 0.000 0.960 33 A CB 0.117 19.039 19.000 -0.131 0.000 1.208 33 A HN 0.567 nan 8.150 nan 0.000 0.541 34 G N -0.471 108.259 108.800 -0.117 0.000 2.921 34 G HA2 0.418 4.380 3.960 0.004 0.000 0.213 34 G HA3 0.418 4.380 3.960 0.004 0.000 0.213 34 G C 0.769 175.616 174.900 -0.089 0.000 1.143 34 G CA 0.709 45.754 45.100 -0.092 0.000 0.764 34 G HN 0.744 nan 8.290 nan 0.000 0.542 35 A N 0.999 123.745 122.820 -0.124 0.000 2.483 35 A HA 0.508 4.830 4.320 0.004 0.000 0.238 35 A C -0.672 176.846 177.584 -0.110 0.000 1.070 35 A CA -0.704 51.285 52.037 -0.081 0.000 0.770 35 A CB 0.717 19.685 19.000 -0.053 0.000 1.008 35 A HN 0.076 nan 8.150 nan 0.000 0.497 36 P HA -0.186 nan 4.420 nan 0.000 0.216 36 P C 1.528 178.872 177.300 0.074 0.000 1.153 36 P CA 1.988 65.116 63.100 0.047 0.000 0.858 36 P CB -0.146 31.613 31.700 0.098 0.000 0.789 37 W N -1.039 120.268 121.300 0.012 0.000 2.465 37 W HA -0.040 4.623 4.660 0.006 0.000 0.268 37 W C 1.113 177.640 176.519 0.013 0.000 1.242 37 W CA 0.450 57.802 57.345 0.013 0.000 1.248 37 W CB -1.640 27.832 29.460 0.020 0.000 1.118 37 W HN -0.218 nan 8.180 nan 0.000 0.587 38 V N 2.108 121.559 119.914 -0.773 0.000 2.358 38 V HA -0.272 3.851 4.120 0.004 0.000 0.246 38 V C 2.589 178.496 176.094 -0.312 0.000 1.047 38 V CA 2.701 64.542 62.300 -0.764 0.000 1.035 38 V CB -1.293 30.059 31.823 -0.784 0.000 0.658 38 V HN 0.169 nan 8.190 nan 0.000 0.452 39 T N 0.260 114.691 114.554 -0.204 0.000 2.746 39 T HA -0.136 4.216 4.350 0.004 0.000 0.267 39 T C 2.029 176.699 174.700 -0.050 0.000 1.039 39 T CA 1.601 63.639 62.100 -0.103 0.000 1.142 39 T CB -0.331 68.495 68.868 -0.069 0.000 0.866 39 T HN 0.559 nan 8.240 nan 0.000 0.444 40 A N 0.719 123.535 122.820 -0.007 0.000 1.898 40 A HA -0.024 4.298 4.320 0.004 0.000 0.216 40 A C 2.548 180.152 177.584 0.033 0.000 1.181 40 A CA 1.206 53.261 52.037 0.030 0.000 0.620 40 A CB -0.908 18.140 19.000 0.081 0.000 0.819 40 A HN 0.357 nan 8.150 nan 0.000 0.442 41 V N 0.153 120.096 119.914 0.049 0.000 2.295 41 V HA -0.260 3.863 4.120 0.004 0.000 0.246 41 V C 2.579 178.671 176.094 -0.004 0.000 1.049 41 V CA 2.004 64.332 62.300 0.048 0.000 1.024 41 V CB -0.769 31.116 31.823 0.104 0.000 0.648 41 V HN 0.578 nan 8.190 nan 0.000 0.447 42 L N 0.012 121.209 121.223 -0.043 0.000 2.042 42 L HA -0.225 4.118 4.340 0.004 0.000 0.210 42 L C 2.388 179.241 176.870 -0.028 0.000 1.076 42 L CA 2.029 56.842 54.840 -0.045 0.000 0.749 42 L CB -0.685 41.332 42.059 -0.070 0.000 0.893 42 L HN 0.392 nan 8.230 nan 0.000 0.432 43 D N -0.032 120.354 120.400 -0.024 0.000 2.144 43 D HA -0.165 4.477 4.640 0.004 0.000 0.199 43 D C 2.130 178.424 176.300 -0.011 0.000 0.984 43 D CA 1.272 55.263 54.000 -0.016 0.000 0.834 43 D CB 0.159 40.951 40.800 -0.012 0.000 0.955 43 D HN 0.262 nan 8.370 nan 0.000 0.465 44 A N -0.036 122.781 122.820 -0.006 0.000 1.969 44 A HA -0.043 4.279 4.320 0.004 0.000 0.218 44 A C 2.328 179.903 177.584 -0.015 0.000 1.169 44 A CA 0.814 52.847 52.037 -0.007 0.000 0.635 44 A CB -0.639 18.361 19.000 0.000 0.000 0.810 44 A HN 0.364 nan 8.150 nan 0.000 0.445 45 L N -1.163 120.051 121.223 -0.015 0.000 2.291 45 L HA 0.183 4.525 4.340 0.004 0.000 0.214 45 L C 1.386 178.248 176.870 -0.013 0.000 1.120 45 L CA 0.419 55.248 54.840 -0.017 0.000 0.799 45 L CB -1.214 40.837 42.059 -0.013 0.000 0.925 45 L HN 0.619 nan 8.230 nan 0.000 0.446 46 G N 0.221 109.013 108.800 -0.012 0.000 2.746 46 G HA2 -0.171 3.791 3.960 0.004 0.000 0.685 46 G HA3 -0.171 3.791 3.960 0.004 0.000 0.685 46 G C -2.239 172.658 174.900 -0.005 0.000 1.350 46 G CA -0.292 44.802 45.100 -0.010 0.000 0.837 46 G HN 0.048 nan 8.290 nan 0.000 0.564 47 P HA 0.139 nan 4.420 nan 0.000 0.249 47 P C 0.639 177.944 177.300 0.008 0.000 1.229 47 P CA 1.040 64.139 63.100 -0.001 0.000 0.788 47 P CB 0.373 32.070 31.700 -0.004 0.000 1.072 48 D N -0.380 120.027 120.400 0.011 0.000 2.347 48 D HA -0.008 4.634 4.640 0.004 0.000 0.213 48 D C 0.198 176.524 176.300 0.043 0.000 0.985 48 D CA 0.532 54.545 54.000 0.023 0.000 0.879 48 D CB -0.416 40.394 40.800 0.017 0.000 0.919 48 D HN -0.012 nan 8.370 nan 0.000 0.526 49 T N 0.422 114.998 114.554 0.037 0.000 2.916 49 T HA 0.147 4.499 4.350 0.004 0.000 0.303 49 T C 0.186 174.921 174.700 0.058 0.000 1.025 49 T CA -0.300 61.831 62.100 0.052 0.000 1.142 49 T CB 1.412 70.294 68.868 0.024 0.000 0.947 49 T HN -0.238 nan 8.240 nan 0.000 0.544 50 V N 5.466 125.437 119.914 0.094 0.000 2.583 50 V HA 0.339 4.462 4.120 0.004 0.000 0.287 50 V C 0.599 176.708 176.094 0.025 0.000 1.051 50 V CA -0.384 61.971 62.300 0.092 0.000 1.010 50 V CB 0.948 32.895 31.823 0.206 0.000 0.988 50 V HN 0.723 nan 8.190 nan 0.000 0.478 51 R N 3.740 124.257 120.500 0.028 0.000 2.514 51 R HA 0.556 4.898 4.340 0.004 0.000 0.301 51 R C -1.214 175.119 176.300 0.055 0.000 0.962 51 R CA -0.447 55.657 56.100 0.008 0.000 0.882 51 R CB 2.156 32.443 30.300 -0.022 0.000 1.143 51 R HN 0.682 nan 8.270 nan 0.000 0.452 52 F N 1.997 121.866 119.950 -0.135 0.000 2.477 52 F HA 0.308 4.837 4.527 0.003 0.000 0.335 52 F C -0.448 175.236 175.800 -0.193 0.000 1.130 52 F CA -0.676 57.226 58.000 -0.162 0.000 0.948 52 F CB 1.554 40.433 39.000 -0.202 0.000 1.154 52 F HN 0.427 nan 8.300 nan 0.000 0.439 53 E N 5.260 125.006 120.200 -0.756 0.000 2.130 53 E HA 0.423 4.775 4.350 0.004 0.000 0.284 53 E C -0.686 175.173 176.600 -1.236 0.000 1.018 53 E CA -0.673 55.289 56.400 -0.729 0.000 0.817 53 E CB 1.404 30.869 29.700 -0.392 0.000 1.078 53 E HN 0.643 nan 8.360 nan 0.000 0.396 54 A N 4.919 127.092 122.820 -1.079 0.000 2.391 54 A HA 0.181 4.503 4.320 0.004 0.000 0.316 54 A C -0.176 177.104 177.584 -0.508 0.000 1.381 54 A CA -0.507 50.745 52.037 -1.308 0.000 0.998 54 A CB 0.078 18.300 19.000 -1.296 0.000 1.147 54 A HN 0.477 nan 8.150 nan 0.000 0.545 55 K N 2.134 122.438 120.400 -0.160 0.000 2.183 55 K HA 0.562 4.884 4.320 0.004 0.000 0.274 55 K C 0.940 177.794 176.600 0.422 0.000 1.009 55 K CA 0.476 56.840 56.287 0.127 0.000 0.888 55 K CB 1.451 34.007 32.500 0.094 0.000 1.078 55 K HN 1.192 nan 8.250 nan 0.000 0.459 56 G N 1.881 110.853 108.800 0.287 0.000 2.528 56 G HA2 -0.297 3.665 3.960 0.004 0.000 0.262 56 G HA3 -0.297 3.665 3.960 0.004 0.000 0.262 56 G C -0.346 174.742 174.900 0.314 0.000 1.200 56 G CA 0.080 45.317 45.100 0.228 0.000 0.951 56 G HN 0.667 nan 8.290 nan 0.000 0.566 57 T N -2.677 111.937 114.554 0.099 0.000 3.296 57 T HA 0.545 4.898 4.350 0.004 0.000 0.333 57 T C -1.163 173.309 174.700 -0.380 0.000 1.280 57 T CA 0.367 62.389 62.100 -0.128 0.000 1.558 57 T CB 1.458 70.424 68.868 0.163 0.000 0.929 57 T HN 0.770 nan 8.240 nan 0.000 0.596 58 D N 1.425 121.320 120.400 -0.841 0.000 2.375 58 D HA 0.272 4.914 4.640 0.004 0.000 0.259 58 D C 1.102 176.920 176.300 -0.804 0.000 1.235 58 D CA -0.729 52.916 54.000 -0.591 0.000 0.924 58 D CB 1.497 42.130 40.800 -0.278 0.000 1.143 58 D HN 0.418 nan 8.370 nan 0.000 0.529 59 R N 2.595 122.776 120.500 -0.530 0.000 2.096 59 R HA -0.196 4.147 4.340 0.004 0.000 0.240 59 R C 1.637 177.858 176.300 -0.131 0.000 1.139 59 R CA 2.094 57.999 56.100 -0.325 0.000 0.952 59 R CB 0.060 30.251 30.300 -0.181 0.000 0.854 59 R HN 0.373 nan 8.270 nan 0.000 0.436 60 A N 0.477 123.234 122.820 -0.105 0.000 1.898 60 A HA -0.038 4.284 4.320 0.004 0.000 0.216 60 A C 2.358 179.963 177.584 0.034 0.000 1.181 60 A CA 1.540 53.564 52.037 -0.022 0.000 0.620 60 A CB -0.727 18.261 19.000 -0.021 0.000 0.819 60 A HN 0.566 nan 8.150 nan 0.000 0.442 61 A N -1.037 121.799 122.820 0.026 0.000 1.902 61 A HA -0.120 4.202 4.320 0.004 0.000 0.217 61 A C 1.950 179.731 177.584 0.329 0.000 1.181 61 A CA 1.522 53.647 52.037 0.147 0.000 0.623 61 A CB -0.819 18.272 19.000 0.151 0.000 0.818 61 A HN 0.725 nan 8.150 nan 0.000 0.443 62 W N -0.247 121.127 121.300 0.123 0.000 2.363 62 W HA 0.020 4.682 4.660 0.004 0.000 0.296 62 W C 2.775 179.305 176.519 0.018 0.000 1.212 62 W CA 0.394 57.833 57.345 0.157 0.000 1.260 62 W CB -1.408 28.180 29.460 0.214 0.000 1.131 62 W HN 0.426 nan 8.180 nan 0.000 0.530 63 A N 0.835 123.787 122.820 0.221 0.000 1.892 63 A HA -0.110 4.212 4.320 0.004 0.000 0.218 63 A C 2.281 179.904 177.584 0.066 0.000 1.188 63 A CA 3.141 55.236 52.037 0.098 0.000 0.631 63 A CB -1.196 17.840 19.000 0.059 0.000 0.822 63 A HN 0.167 nan 8.150 nan 0.000 0.447 64 A N -1.144 121.730 122.820 0.090 0.000 1.930 64 A HA -0.159 4.163 4.320 0.004 0.000 0.217 64 A C 2.112 179.736 177.584 0.067 0.000 1.175 64 A CA 1.639 53.718 52.037 0.071 0.000 0.627 64 A CB -0.472 18.575 19.000 0.078 0.000 0.815 64 A HN 0.657 nan 8.150 nan 0.000 0.443 65 Q N -0.535 119.325 119.800 0.100 0.000 2.123 65 Q HA 0.045 4.387 4.340 0.004 0.000 0.199 65 Q C 1.992 177.946 176.000 -0.077 0.000 0.966 65 Q CA 1.115 56.966 55.803 0.080 0.000 0.845 65 Q CB -0.230 28.663 28.738 0.259 0.000 0.907 65 Q HN 0.653 nan 8.270 nan 0.000 0.439 66 L N -0.002 121.103 121.223 -0.196 0.000 2.093 66 L HA -0.139 4.203 4.340 0.004 0.000 0.208 66 L C 2.437 179.259 176.870 -0.080 0.000 1.085 66 L CA 0.858 55.538 54.840 -0.266 0.000 0.755 66 L CB -0.488 41.397 42.059 -0.291 0.000 0.904 66 L HN 0.220 nan 8.230 nan 0.000 0.435 67 A N -0.505 122.298 122.820 -0.030 0.000 1.902 67 A HA -0.279 4.043 4.320 0.004 0.000 0.217 67 A C 2.197 179.791 177.584 0.016 0.000 1.181 67 A CA 1.769 53.808 52.037 0.004 0.000 0.623 67 A CB -0.484 18.524 19.000 0.012 0.000 0.818 67 A HN 0.374 nan 8.150 nan 0.000 0.443 68 Q N 0.012 119.823 119.800 0.018 0.000 2.061 68 Q HA -0.105 4.237 4.340 0.004 0.000 0.204 68 Q C 1.866 177.891 176.000 0.042 0.000 0.984 68 Q CA 1.824 57.645 55.803 0.030 0.000 0.846 68 Q CB -0.530 28.232 28.738 0.039 0.000 0.902 68 Q HN 0.659 nan 8.270 nan 0.000 0.421 69 L N -0.204 121.048 121.223 0.048 0.000 2.083 69 L HA -0.164 4.178 4.340 0.004 0.000 0.209 69 L C 2.449 179.411 176.870 0.153 0.000 1.083 69 L CA 1.438 56.347 54.840 0.114 0.000 0.752 69 L CB -0.309 41.822 42.059 0.121 0.000 0.899 69 L HN 0.168 nan 8.230 nan 0.000 0.433 70 R N 0.234 120.807 120.500 0.121 0.000 2.280 70 R HA -0.137 4.206 4.340 0.004 0.000 0.207 70 R C 1.924 178.226 176.300 0.004 0.000 1.043 70 R CA 1.151 57.310 56.100 0.098 0.000 1.006 70 R CB -0.126 30.229 30.300 0.091 0.000 0.885 70 R HN 0.437 nan 8.270 nan 0.000 0.467 71 E N -0.520 119.687 120.200 0.011 0.000 2.099 71 E HA -0.083 4.269 4.350 0.004 0.000 0.191 71 E C 0.728 177.318 176.600 -0.017 0.000 0.962 71 E CA 0.782 57.179 56.400 -0.005 0.000 0.826 71 E CB 0.076 29.779 29.700 0.006 0.000 0.788 71 E HN 0.287 nan 8.360 nan 0.000 0.461 72 D N 0.738 121.137 120.400 -0.003 0.000 2.144 72 D HA -0.148 4.495 4.640 0.004 0.000 0.199 72 D C 1.658 177.933 176.300 -0.042 0.000 0.984 72 D CA 1.006 55.002 54.000 -0.007 0.000 0.834 72 D CB 0.078 40.891 40.800 0.020 0.000 0.955 72 D HN 0.176 nan 8.370 nan 0.000 0.465 73 E N -0.327 119.820 120.200 -0.089 0.000 2.340 73 E HA 0.216 4.568 4.350 0.004 0.000 0.198 73 E C 1.251 177.675 176.600 -0.292 0.000 0.961 73 E CA 0.549 56.820 56.400 -0.216 0.000 0.905 73 E CB 0.770 30.250 29.700 -0.368 0.000 0.884 73 E HN 0.207 nan 8.360 nan 0.000 0.491 74 G N 2.367 111.024 108.800 -0.237 0.000 2.782 74 G HA2 -0.281 3.682 3.960 0.004 0.000 0.228 74 G HA3 -0.281 3.682 3.960 0.004 0.000 0.228 74 G C -0.475 174.229 174.900 -0.327 0.000 1.372 74 G CA -0.086 44.892 45.100 -0.203 0.000 0.862 74 G HN 0.252 nan 8.290 nan 0.000 0.547 75 E N -0.625 119.458 120.200 -0.194 0.000 2.481 75 E HA 0.354 4.706 4.350 0.004 0.000 0.263 75 E C -0.291 176.159 176.600 -0.249 0.000 0.992 75 E CA 0.163 56.481 56.400 -0.136 0.000 0.938 75 E CB 0.318 29.994 29.700 -0.039 0.000 0.933 75 E HN 0.374 nan 8.360 nan 0.000 0.453 76 F N 0.706 120.668 119.950 0.019 0.000 2.378 76 F HA 0.109 4.638 4.527 0.004 0.000 0.325 76 F C 1.826 177.664 175.800 0.063 0.000 1.097 76 F CA -0.488 57.539 58.000 0.045 0.000 1.079 76 F CB 0.866 39.886 39.000 0.033 0.000 1.240 76 F HN 0.631 nan 8.300 nan 0.000 0.519 77 H N 0.928 120.117 119.070 0.199 0.000 2.395 77 H HA 0.310 4.867 4.556 0.003 0.000 0.299 77 H C -0.194 175.222 175.328 0.147 0.000 1.070 77 H CA 1.249 57.375 56.048 0.130 0.000 1.356 77 H CB 0.316 30.133 29.762 0.093 0.000 1.401 77 H HN 0.576 nan 8.280 nan 0.000 0.524 78 A N 0.133 123.072 122.820 0.198 0.000 2.601 78 A HA 0.485 4.807 4.320 0.004 0.000 0.291 78 A C -1.453 176.200 177.584 0.115 0.000 1.075 78 A CA -0.529 51.598 52.037 0.150 0.000 0.671 78 A CB 1.419 20.574 19.000 0.258 0.000 1.277 78 A HN 0.014 nan 8.150 nan 0.000 0.417 79 V N 0.860 120.821 119.914 0.077 0.000 2.398 79 V HA 0.557 4.680 4.120 0.004 0.000 0.286 79 V C -0.522 175.615 176.094 0.072 0.000 1.026 79 V CA -0.498 61.800 62.300 -0.003 0.000 0.868 79 V CB 1.388 33.180 31.823 -0.051 0.000 0.982 79 V HN 0.687 nan 8.190 nan 0.000 0.443 80 V N 3.774 123.713 119.914 0.042 0.000 2.349 80 V HA 0.380 4.502 4.120 0.004 0.000 0.284 80 V C 0.240 176.370 176.094 0.059 0.000 1.014 80 V CA -0.275 62.072 62.300 0.078 0.000 0.826 80 V CB 1.631 33.480 31.823 0.044 0.000 1.009 80 V HN 0.868 nan 8.190 nan 0.000 0.431 81 S N 5.034 120.789 115.700 0.091 0.000 2.499 81 S HA 0.513 4.985 4.470 0.004 0.000 0.279 81 S C 0.203 174.880 174.600 0.128 0.000 1.219 81 S CA -0.538 57.716 58.200 0.089 0.000 1.062 81 S CB 0.785 64.048 63.200 0.106 0.000 0.978 81 S HN 0.499 nan 8.310 nan 0.000 0.489 82 L N 5.981 127.251 121.223 0.078 0.000 2.910 82 L HA 0.372 4.714 4.340 0.004 0.000 0.252 82 L C 1.301 178.221 176.870 0.082 0.000 1.195 82 L CA 0.487 55.372 54.840 0.075 0.000 1.003 82 L CB -0.791 41.194 42.059 -0.123 0.000 1.328 82 L HN 0.698 nan 8.230 nan 0.000 0.540 83 L N -0.056 121.229 121.223 0.104 0.000 2.265 83 L HA -0.123 4.219 4.340 0.004 0.000 0.215 83 L C 2.524 179.482 176.870 0.146 0.000 1.117 83 L CA 0.972 55.870 54.840 0.098 0.000 0.782 83 L CB -0.492 41.629 42.059 0.103 0.000 0.914 83 L HN 0.367 nan 8.230 nan 0.000 0.441 84 A N 0.325 123.284 122.820 0.231 0.000 2.070 84 A HA -0.132 4.190 4.320 0.004 0.000 0.220 84 A C 2.515 180.270 177.584 0.286 0.000 1.159 84 A CA 1.441 53.632 52.037 0.257 0.000 0.656 84 A CB -0.477 18.710 19.000 0.312 0.000 0.800 84 A HN 0.399 nan 8.150 nan 0.000 0.453 85 A N -0.294 122.731 122.820 0.341 0.000 2.125 85 A HA 0.335 4.658 4.320 0.004 0.000 0.219 85 A C 1.522 179.171 177.584 0.109 0.000 1.156 85 A CA 1.031 53.248 52.037 0.301 0.000 0.671 85 A CB -0.732 18.330 19.000 0.102 0.000 0.794 85 A HN 1.109 nan 8.150 nan 0.000 0.459 86 A N 0.469 123.279 122.820 -0.016 0.000 2.666 86 A HA 0.391 4.713 4.320 0.004 0.000 0.301 86 A C 0.727 178.174 177.584 -0.229 0.000 1.470 86 A CA -0.228 51.575 52.037 -0.390 0.000 1.159 86 A CB -0.275 18.527 19.000 -0.330 0.000 1.116 86 A HN 0.536 nan 8.150 nan 0.000 0.548 87 E N 1.929 122.028 120.200 -0.169 0.000 2.340 87 E HA 0.093 4.445 4.350 0.004 0.000 0.194 87 E C 1.036 177.604 176.600 -0.055 0.000 0.996 87 E CA 0.367 56.742 56.400 -0.043 0.000 0.869 87 E CB 0.211 29.926 29.700 0.025 0.000 0.835 87 E HN 0.812 nan 8.360 nan 0.000 0.493 88 A N 1.609 124.365 122.820 -0.108 0.000 2.483 88 A HA 0.141 4.463 4.320 0.004 0.000 0.238 88 A C 0.254 177.836 177.584 -0.003 0.000 1.070 88 A CA -0.066 51.963 52.037 -0.013 0.000 0.770 88 A CB 0.080 19.116 19.000 0.060 0.000 1.008 88 A HN 0.151 nan 8.150 nan 0.000 0.497 89 L N 2.562 123.805 121.223 0.034 0.000 2.461 89 L HA 0.080 4.422 4.340 0.004 0.000 0.272 89 L C 1.211 178.141 176.870 0.100 0.000 1.197 89 L CA -0.327 54.551 54.840 0.065 0.000 0.836 89 L CB 0.220 42.314 42.059 0.058 0.000 1.105 89 L HN 0.768 nan 8.230 nan 0.000 0.477 90 H N 1.712 120.814 119.070 0.054 0.000 2.886 90 H HA -0.041 4.517 4.556 0.003 0.000 0.329 90 H C 1.047 176.400 175.328 0.043 0.000 1.044 90 H CA 0.579 56.673 56.048 0.077 0.000 1.456 90 H CB 1.366 31.214 29.762 0.143 0.000 1.464 90 H HN 0.812 nan 8.280 nan 0.000 0.573 91 T N 0.678 115.269 114.554 0.063 0.000 2.897 91 T HA -0.133 4.219 4.350 0.004 0.000 0.271 91 T C 0.818 175.587 174.700 0.114 0.000 1.084 91 T CA 1.485 63.630 62.100 0.075 0.000 1.123 91 T CB 0.186 69.051 68.868 -0.005 0.000 0.865 91 T HN 0.543 nan 8.240 nan 0.000 0.496 92 D N 0.320 120.874 120.400 0.257 0.000 2.407 92 D HA 0.086 4.728 4.640 0.004 0.000 0.208 92 D C -0.061 175.886 176.300 -0.589 0.000 1.083 92 D CA 0.183 54.056 54.000 -0.212 0.000 0.844 92 D CB 0.250 40.819 40.800 -0.385 0.000 0.967 92 D HN 0.551 nan 8.370 nan 0.000 0.506 93 H N -0.358 118.736 119.070 0.040 0.000 2.974 93 H HA 0.280 4.838 4.556 0.004 0.000 0.285 93 H C 1.133 176.471 175.328 0.017 0.000 1.227 93 H CA -0.367 55.649 56.048 -0.054 0.000 1.569 93 H CB 1.186 30.817 29.762 -0.219 0.000 1.648 93 H HN -0.047 nan 8.280 nan 0.000 0.521 94 G N 1.110 109.963 108.800 0.089 0.000 2.534 94 G HA2 -0.145 3.817 3.960 0.004 0.000 0.217 94 G HA3 -0.145 3.817 3.960 0.004 0.000 0.217 94 G C 0.930 175.856 174.900 0.043 0.000 1.128 94 G CA 0.249 45.389 45.100 0.067 0.000 0.784 94 G HN 0.355 nan 8.290 nan 0.000 0.542 95 S N -0.425 115.297 115.700 0.037 0.000 2.572 95 S HA 0.332 4.804 4.470 0.004 0.000 0.228 95 S C -0.075 174.513 174.600 -0.020 0.000 0.963 95 S CA -0.278 57.912 58.200 -0.016 0.000 0.939 95 S CB 0.758 63.940 63.200 -0.029 0.000 0.804 95 S HN 0.049 nan 8.310 nan 0.000 0.480 96 V N 3.348 123.280 119.914 0.030 0.000 2.407 96 V HA 0.368 4.490 4.120 0.004 0.000 0.291 96 V C -2.756 173.384 176.094 0.076 0.000 1.018 96 V CA -2.423 59.897 62.300 0.032 0.000 0.842 96 V CB 1.475 33.310 31.823 0.020 0.000 0.996 96 V HN -0.002 nan 8.190 nan 0.000 0.426 97 P HA 0.074 nan 4.420 nan 0.000 0.268 97 P C 0.782 178.134 177.300 0.086 0.000 1.204 97 P CA -0.156 62.974 63.100 0.049 0.000 0.768 97 P CB 0.824 32.546 31.700 0.037 0.000 0.842 98 L N 4.583 125.847 121.223 0.068 0.000 2.043 98 L HA -0.129 4.213 4.340 0.004 0.000 0.212 98 L C 2.107 179.037 176.870 0.099 0.000 1.075 98 L CA 2.605 57.501 54.840 0.092 0.000 0.752 98 L CB -1.476 40.574 42.059 -0.014 0.000 0.891 98 L HN 0.518 nan 8.230 nan 0.000 0.432 99 G N -1.111 107.718 108.800 0.048 0.000 2.484 99 G HA2 -0.208 3.754 3.960 0.004 0.000 0.218 99 G HA3 -0.208 3.754 3.960 0.004 0.000 0.218 99 G C 1.523 176.498 174.900 0.125 0.000 1.130 99 G CA 0.742 45.896 45.100 0.089 0.000 0.784 99 G HN 0.411 nan 8.290 nan 0.000 0.543 100 L N 1.094 122.383 121.223 0.111 0.000 2.072 100 L HA 0.304 4.646 4.340 0.004 0.000 0.205 100 L C 3.022 179.954 176.870 0.104 0.000 1.079 100 L CA 1.947 56.850 54.840 0.105 0.000 0.752 100 L CB -0.582 41.525 42.059 0.081 0.000 0.906 100 L HN 0.180 nan 8.230 nan 0.000 0.436 101 A N -0.997 121.892 122.820 0.114 0.000 1.877 101 A HA -0.265 4.057 4.320 0.004 0.000 0.216 101 A C 2.205 179.890 177.584 0.167 0.000 1.186 101 A CA 1.935 54.036 52.037 0.106 0.000 0.620 101 A CB -0.627 18.478 19.000 0.176 0.000 0.822 101 A HN 0.648 nan 8.150 nan 0.000 0.443 102 Q N -1.071 118.876 119.800 0.245 0.000 2.167 102 Q HA -0.112 4.230 4.340 0.004 0.000 0.202 102 Q C 2.144 178.360 176.000 0.361 0.000 0.970 102 Q CA 1.760 57.804 55.803 0.402 0.000 0.855 102 Q CB -0.323 28.649 28.738 0.390 0.000 0.911 102 Q HN 0.687 nan 8.270 nan 0.000 0.438 103 T N 1.523 116.215 114.554 0.230 0.000 2.777 103 T HA -0.137 4.215 4.350 0.004 0.000 0.266 103 T C 1.774 176.578 174.700 0.173 0.000 1.040 103 T CA 0.926 63.143 62.100 0.196 0.000 1.141 103 T CB -0.261 68.704 68.868 0.161 0.000 0.868 103 T HN 0.147 nan 8.240 nan 0.000 0.444 104 L N 1.032 122.331 121.223 0.127 0.000 2.013 104 L HA -0.058 4.284 4.340 0.004 0.000 0.212 104 L C 2.062 178.989 176.870 0.096 0.000 1.073 104 L CA 1.667 56.554 54.840 0.078 0.000 0.753 104 L CB -0.652 41.427 42.059 0.032 0.000 0.890 104 L HN 0.172 nan 8.230 nan 0.000 0.432 105 L N -1.004 120.300 121.223 0.135 0.000 2.156 105 L HA -0.124 4.219 4.340 0.004 0.000 0.208 105 L C 2.459 179.513 176.870 0.307 0.000 1.095 105 L CA 1.292 56.191 54.840 0.098 0.000 0.770 105 L CB -1.252 40.719 42.059 -0.146 0.000 0.914 105 L HN 0.412 nan 8.230 nan 0.000 0.439 106 L N 0.443 121.944 121.223 0.463 0.000 2.056 106 L HA -0.082 4.260 4.340 0.004 0.000 0.207 106 L C 2.586 179.565 176.870 0.183 0.000 1.078 106 L CA 1.943 57.008 54.840 0.374 0.000 0.749 106 L CB -0.637 41.582 42.059 0.267 0.000 0.901 106 L HN 0.139 nan 8.230 nan 0.000 0.433 107 A N -1.143 121.756 122.820 0.131 0.000 1.933 107 A HA -0.235 4.088 4.320 0.004 0.000 0.218 107 A C 2.195 179.759 177.584 -0.033 0.000 1.175 107 A CA 1.761 53.824 52.037 0.042 0.000 0.628 107 A CB -0.527 18.493 19.000 0.033 0.000 0.814 107 A HN 0.661 nan 8.150 nan 0.000 0.444 108 Q N -0.746 119.057 119.800 0.004 0.000 2.046 108 Q HA -0.073 4.269 4.340 0.004 0.000 0.200 108 Q C 2.420 178.419 176.000 -0.001 0.000 0.975 108 Q CA 1.441 57.230 55.803 -0.023 0.000 0.836 108 Q CB -0.351 28.384 28.738 -0.005 0.000 0.896 108 Q HN 0.669 nan 8.270 nan 0.000 0.428 109 A N 0.550 123.412 122.820 0.071 0.000 2.015 109 A HA -0.097 4.225 4.320 0.004 0.000 0.219 109 A C 2.027 179.636 177.584 0.042 0.000 1.163 109 A CA 0.807 52.898 52.037 0.091 0.000 0.646 109 A CB -0.491 18.653 19.000 0.239 0.000 0.806 109 A HN 0.257 nan 8.150 nan 0.000 0.448 110 L N -0.747 120.489 121.223 0.021 0.000 2.046 110 L HA -0.113 4.229 4.340 0.004 0.000 0.208 110 L C 2.847 179.697 176.870 -0.034 0.000 1.077 110 L CA 1.133 55.962 54.840 -0.018 0.000 0.747 110 L CB -0.796 41.251 42.059 -0.020 0.000 0.896 110 L HN 0.471 nan 8.230 nan 0.000 0.432 111 G N -0.379 108.379 108.800 -0.070 0.000 2.440 111 G HA2 -0.263 3.699 3.960 0.004 0.000 0.218 111 G HA3 -0.263 3.699 3.960 0.004 0.000 0.218 111 G C 1.140 176.020 174.900 -0.033 0.000 1.154 111 G CA 0.923 45.974 45.100 -0.082 0.000 0.767 111 G HN 0.296 nan 8.290 nan 0.000 0.552 112 D N 0.973 121.361 120.400 -0.020 0.000 2.117 112 D HA -0.022 4.620 4.640 0.004 0.000 0.197 112 D C 2.677 178.979 176.300 0.003 0.000 0.987 112 D CA 1.271 55.269 54.000 -0.003 0.000 0.829 112 D CB -0.333 40.471 40.800 0.007 0.000 0.961 112 D HN 0.338 nan 8.370 nan 0.000 0.460 113 A N -0.325 122.497 122.820 0.002 0.000 2.169 113 A HA 0.379 4.701 4.320 0.004 0.000 0.212 113 A C 1.735 179.322 177.584 0.005 0.000 1.153 113 A CA 1.080 53.119 52.037 0.003 0.000 0.756 113 A CB -0.221 18.774 19.000 -0.007 0.000 0.813 113 A HN 0.251 nan 8.150 nan 0.000 0.471 114 G N -1.332 107.469 108.800 0.002 0.000 2.176 114 G HA2 -0.197 3.765 3.960 0.004 0.000 0.252 114 G HA3 -0.197 3.765 3.960 0.004 0.000 0.252 114 G C -0.110 174.800 174.900 0.017 0.000 1.024 114 G CA 0.300 45.405 45.100 0.008 0.000 0.755 114 G HN 0.417 nan 8.290 nan 0.000 0.507 115 L N 1.465 122.698 121.223 0.017 0.000 2.283 115 L HA 0.516 4.858 4.340 0.004 0.000 0.287 115 L C 1.758 178.647 176.870 0.031 0.000 1.073 115 L CA 0.952 55.817 54.840 0.042 0.000 0.822 115 L CB 1.342 43.419 42.059 0.031 0.000 1.186 115 L HN 0.343 nan 8.230 nan 0.000 0.436 116 T N -0.267 114.312 114.554 0.041 0.000 3.069 116 T HA 0.384 4.736 4.350 0.004 0.000 0.252 116 T C 0.742 175.455 174.700 0.022 0.000 1.053 116 T CA 0.050 62.165 62.100 0.025 0.000 0.964 116 T CB 0.231 69.111 68.868 0.020 0.000 1.005 116 T HN 0.487 nan 8.240 nan 0.000 0.532 117 A N 2.889 125.736 122.820 0.044 0.000 2.462 117 A HA 0.525 4.847 4.320 0.004 0.000 0.243 117 A C -2.434 175.144 177.584 -0.009 0.000 1.076 117 A CA -1.278 50.776 52.037 0.028 0.000 0.773 117 A CB -0.255 18.805 19.000 0.099 0.000 1.010 117 A HN 0.222 nan 8.150 nan 0.000 0.493 118 P HA 0.174 nan 4.420 nan 0.000 0.268 118 P C -0.582 176.626 177.300 -0.153 0.000 1.204 118 P CA -0.093 62.926 63.100 -0.135 0.000 0.768 118 P CB 0.408 31.999 31.700 -0.180 0.000 0.842 119 L N 5.313 126.384 121.223 -0.254 0.000 2.290 119 L HA 0.444 4.787 4.340 0.004 0.000 0.284 119 L C -1.336 175.132 176.870 -0.671 0.000 1.078 119 L CA -0.144 54.553 54.840 -0.238 0.000 0.815 119 L CB -0.058 41.986 42.059 -0.024 0.000 1.162 119 L HN 0.311 nan 8.230 nan 0.000 0.435 120 W N 4.662 125.753 121.300 -0.348 0.000 2.475 120 W HA 0.533 5.195 4.660 0.003 0.000 0.317 120 W C -0.744 175.631 176.519 -0.241 0.000 1.046 120 W CA -0.358 56.742 57.345 -0.407 0.000 1.215 120 W CB 1.752 31.065 29.460 -0.245 0.000 1.335 120 W HN 0.440 nan 8.180 nan 0.000 0.471 121 C N 5.204 124.479 119.300 -0.042 0.000 2.264 121 C HA 0.546 5.008 4.460 0.004 0.000 0.324 121 C C 0.293 175.335 174.990 0.087 0.000 1.267 121 C CA -0.815 58.243 59.018 0.067 0.000 1.618 121 C CB -0.870 26.932 27.740 0.103 0.000 2.278 121 C HN 0.423 nan 8.230 nan 0.000 0.499 122 L N 4.170 125.504 121.223 0.185 0.000 2.334 122 L HA 0.690 5.032 4.340 0.004 0.000 0.277 122 L C 0.671 177.664 176.870 0.204 0.000 1.075 122 L CA 0.191 55.165 54.840 0.223 0.000 0.804 122 L CB 1.381 43.655 42.059 0.359 0.000 1.174 122 L HN 0.788 nan 8.230 nan 0.000 0.438 123 T N -0.270 114.307 114.554 0.038 0.000 2.887 123 T HA 0.699 5.051 4.350 0.004 0.000 0.292 123 T C -0.725 173.618 174.700 -0.595 0.000 1.087 123 T CA -0.993 61.037 62.100 -0.117 0.000 1.009 123 T CB 2.473 71.512 68.868 0.285 0.000 1.203 123 T HN 0.487 nan 8.240 nan 0.000 0.518 124 R N -0.140 119.935 120.500 -0.708 0.000 2.521 124 R HA 0.603 4.945 4.340 0.004 0.000 0.295 124 R C 0.622 176.690 176.300 -0.386 0.000 1.183 124 R CA 0.360 55.970 56.100 -0.816 0.000 0.957 124 R CB 0.264 29.541 30.300 -1.704 0.000 1.171 124 R HN 1.624 nan 8.270 nan 0.000 0.494 125 G N 1.893 110.526 108.800 -0.279 0.000 2.137 125 G HA2 -0.235 3.727 3.960 0.004 0.000 0.237 125 G HA3 -0.235 3.727 3.960 0.004 0.000 0.237 125 G C 0.567 175.357 174.900 -0.183 0.000 1.002 125 G CA 0.179 45.158 45.100 -0.202 0.000 0.702 125 G HN 0.895 nan 8.290 nan 0.000 0.515 126 G N -1.110 107.580 108.800 -0.184 0.000 2.939 126 G HA2 0.522 4.484 3.960 0.004 0.000 0.210 126 G HA3 0.522 4.484 3.960 0.004 0.000 0.210 126 G C 0.681 175.322 174.900 -0.432 0.000 1.160 126 G CA 1.354 46.340 45.100 -0.191 0.000 0.770 126 G HN 1.730 nan 8.290 nan 0.000 0.543 127 V N -3.620 115.990 119.914 -0.507 0.000 3.040 127 V HA 0.875 4.997 4.120 0.004 0.000 0.312 127 V C -0.580 175.228 176.094 -0.477 0.000 1.115 127 V CA -1.396 60.557 62.300 -0.578 0.000 0.998 127 V CB 1.620 32.922 31.823 -0.868 0.000 1.042 127 V HN 0.265 nan 8.190 nan 0.000 0.433 128 A N 2.175 124.757 122.820 -0.396 0.000 2.280 128 A HA 0.934 5.256 4.320 0.004 0.000 0.320 128 A C 0.172 177.390 177.584 -0.610 0.000 1.366 128 A CA 0.088 51.900 52.037 -0.374 0.000 0.938 128 A CB 0.031 18.913 19.000 -0.197 0.000 1.157 128 A HN 2.209 nan 8.150 nan 0.000 0.536 129 A N 2.394 124.723 122.820 -0.818 0.000 2.353 129 A HA 0.893 5.215 4.320 0.004 0.000 0.299 129 A C 0.279 177.578 177.584 -0.476 0.000 1.089 129 A CA 0.061 51.442 52.037 -1.093 0.000 0.736 129 A CB 0.711 18.639 19.000 -1.787 0.000 1.195 129 A HN 2.742 nan 8.150 nan 0.000 0.447 130 G N 1.766 110.411 108.800 -0.259 0.000 2.675 130 G HA2 0.160 4.122 3.960 0.004 0.000 0.686 130 G HA3 0.160 4.122 3.960 0.004 0.000 0.686 130 G C -0.213 174.629 174.900 -0.098 0.000 1.215 130 G CA -0.424 44.603 45.100 -0.121 0.000 0.777 130 G HN 1.814 nan 8.290 nan 0.000 0.638 131 R N 0.819 121.286 120.500 -0.054 0.000 2.522 131 R HA 0.465 4.807 4.340 0.004 0.000 0.284 131 R C 1.273 177.535 176.300 -0.063 0.000 1.032 131 R CA 0.925 56.995 56.100 -0.048 0.000 1.049 131 R CB 0.508 30.791 30.300 -0.028 0.000 0.956 131 R HN 2.667 nan 8.270 nan 0.000 0.422 132 G N 2.174 110.934 108.800 -0.067 0.000 2.184 132 G HA2 -0.328 3.634 3.960 0.004 0.000 0.264 132 G HA3 -0.328 3.634 3.960 0.004 0.000 0.264 132 G C -0.075 174.771 174.900 -0.091 0.000 0.975 132 G CA 0.503 45.561 45.100 -0.070 0.000 0.642 132 G HN 0.842 nan 8.290 nan 0.000 0.536 133 D N -0.236 120.093 120.400 -0.118 0.000 2.382 133 D HA 0.444 5.086 4.640 0.004 0.000 0.240 133 D C 0.381 176.598 176.300 -0.139 0.000 1.146 133 D CA 0.115 54.027 54.000 -0.147 0.000 0.897 133 D CB 1.167 41.837 40.800 -0.217 0.000 1.197 133 D HN 0.210 nan 8.370 nan 0.000 0.432 134 V N 4.281 124.116 119.914 -0.131 0.000 2.409 134 V HA 0.226 4.348 4.120 0.004 0.000 0.291 134 V C 0.003 176.029 176.094 -0.114 0.000 1.020 134 V CA -0.881 61.352 62.300 -0.111 0.000 0.848 134 V CB 1.531 33.303 31.823 -0.085 0.000 0.990 134 V HN 0.502 nan 8.190 nan 0.000 0.430 135 L N 5.123 126.286 121.223 -0.100 0.000 2.363 135 L HA 0.226 4.568 4.340 0.004 0.000 0.286 135 L C 1.485 178.384 176.870 0.048 0.000 1.106 135 L CA 0.099 54.886 54.840 -0.088 0.000 0.859 135 L CB 1.236 43.228 42.059 -0.111 0.000 1.223 135 L HN 0.896 nan 8.230 nan 0.000 0.446 136 S N 0.871 116.573 115.700 0.003 0.000 2.478 136 S HA 0.026 4.498 4.470 0.004 0.000 0.222 136 S C 0.849 175.401 174.600 -0.080 0.000 1.008 136 S CA 0.120 58.352 58.200 0.053 0.000 0.928 136 S CB 0.216 63.417 63.200 0.002 0.000 0.781 136 S HN 0.533 nan 8.310 nan 0.000 0.518 137 S N 2.385 118.007 115.700 -0.130 0.000 2.395 137 S HA 0.481 4.953 4.470 0.004 0.000 0.207 137 S C -2.347 172.167 174.600 -0.144 0.000 1.454 137 S CA -1.494 56.622 58.200 -0.139 0.000 1.211 137 S CB 1.159 64.326 63.200 -0.054 0.000 1.093 137 S HN 0.054 nan 8.310 nan 0.000 0.472 138 P HA -0.086 nan 4.420 nan 0.000 0.218 138 P C 1.570 178.878 177.300 0.013 0.000 1.148 138 P CA 0.727 63.682 63.100 -0.242 0.000 0.822 138 P CB 0.075 31.463 31.700 -0.520 0.000 0.784 139 V N 0.223 120.218 119.914 0.135 0.000 2.332 139 V HA -0.261 3.861 4.120 0.004 0.000 0.248 139 V C 2.587 178.779 176.094 0.165 0.000 1.055 139 V CA 1.886 64.310 62.300 0.206 0.000 1.038 139 V CB -1.232 30.664 31.823 0.121 0.000 0.651 139 V HN 0.191 nan 8.190 nan 0.000 0.450 140 Q N -0.367 119.505 119.800 0.120 0.000 2.297 140 Q HA -0.062 4.280 4.340 0.004 0.000 0.204 140 Q C 2.317 178.460 176.000 0.239 0.000 0.962 140 Q CA 1.139 57.043 55.803 0.169 0.000 0.879 140 Q CB -0.372 28.445 28.738 0.132 0.000 0.947 140 Q HN 0.734 nan 8.270 nan 0.000 0.462 141 G N 0.986 109.865 108.800 0.132 0.000 2.432 141 G HA2 -0.239 3.724 3.960 0.004 0.000 0.219 141 G HA3 -0.239 3.724 3.960 0.004 0.000 0.219 141 G C 1.478 176.509 174.900 0.219 0.000 1.135 141 G CA 0.793 45.954 45.100 0.102 0.000 0.767 141 G HN 0.407 nan 8.290 nan 0.000 0.550 142 A N 0.405 123.357 122.820 0.221 0.000 1.978 142 A HA 0.055 4.378 4.320 0.004 0.000 0.220 142 A C 2.329 180.048 177.584 0.225 0.000 1.170 142 A CA 1.385 53.556 52.037 0.222 0.000 0.636 142 A CB -0.355 18.776 19.000 0.218 0.000 0.810 142 A HN 0.396 nan 8.150 nan 0.000 0.448 143 L N -1.812 119.570 121.223 0.264 0.000 2.131 143 L HA -0.163 4.179 4.340 0.004 0.000 0.210 143 L C 2.218 179.226 176.870 0.230 0.000 1.092 143 L CA 1.365 56.342 54.840 0.229 0.000 0.759 143 L CB -0.276 41.918 42.059 0.226 0.000 0.903 143 L HN 0.623 nan 8.230 nan 0.000 0.435 144 W N -0.356 121.019 121.300 0.124 0.000 2.342 144 W HA -0.088 4.575 4.660 0.005 0.000 0.297 144 W C 2.478 179.050 176.519 0.089 0.000 1.213 144 W CA 1.253 58.682 57.345 0.139 0.000 1.251 144 W CB -1.254 28.298 29.460 0.154 0.000 1.136 144 W HN 0.189 nan 8.180 nan 0.000 0.526 145 G N 0.304 109.260 108.800 0.260 0.000 2.421 145 G HA2 -0.254 3.708 3.960 0.004 0.000 0.216 145 G HA3 -0.254 3.708 3.960 0.004 0.000 0.216 145 G C 1.478 176.409 174.900 0.051 0.000 1.171 145 G CA 1.139 46.315 45.100 0.127 0.000 0.775 145 G HN 0.230 nan 8.290 nan 0.000 0.543 146 L N 1.598 122.845 121.223 0.039 0.000 2.017 146 L HA 0.128 4.470 4.340 0.004 0.000 0.208 146 L C 2.763 179.545 176.870 -0.147 0.000 1.073 146 L CA 2.522 57.343 54.840 -0.032 0.000 0.745 146 L CB -1.011 41.049 42.059 0.002 0.000 0.894 146 L HN 0.159 nan 8.230 nan 0.000 0.432 147 G N -0.808 107.909 108.800 -0.138 0.000 2.440 147 G HA2 -0.273 3.689 3.960 0.004 0.000 0.218 147 G HA3 -0.273 3.689 3.960 0.004 0.000 0.218 147 G C 1.752 176.291 174.900 -0.602 0.000 1.154 147 G CA 0.807 45.664 45.100 -0.405 0.000 0.767 147 G HN 0.413 nan 8.290 nan 0.000 0.552 148 R N -0.377 120.006 120.500 -0.195 0.000 2.127 148 R HA -0.031 4.311 4.340 0.004 0.000 0.238 148 R C 2.591 178.739 176.300 -0.253 0.000 1.134 148 R CA 1.102 57.120 56.100 -0.138 0.000 0.975 148 R CB -0.324 30.027 30.300 0.085 0.000 0.865 148 R HN 0.341 nan 8.270 nan 0.000 0.447 149 V N 1.007 120.783 119.914 -0.230 0.000 2.591 149 V HA -0.160 3.962 4.120 0.004 0.000 0.249 149 V C 2.123 178.015 176.094 -0.337 0.000 1.053 149 V CA 1.339 63.514 62.300 -0.208 0.000 1.068 149 V CB -0.303 31.456 31.823 -0.107 0.000 0.689 149 V HN 0.268 nan 8.190 nan 0.000 0.462 150 I N 1.234 121.498 120.570 -0.511 0.000 2.264 150 I HA -0.194 3.978 4.170 0.004 0.000 0.248 150 I C 2.503 178.198 176.117 -0.702 0.000 1.111 150 I CA 1.792 62.753 61.300 -0.566 0.000 1.382 150 I CB -0.823 36.704 38.000 -0.789 0.000 1.060 150 I HN 0.418 nan 8.210 nan 0.000 0.418 151 G N 0.688 108.840 108.800 -1.079 0.000 2.448 151 G HA2 -0.082 3.880 3.960 0.004 0.000 0.218 151 G HA3 -0.082 3.880 3.960 0.004 0.000 0.218 151 G C 1.680 176.380 174.900 -0.333 0.000 1.135 151 G CA 0.215 44.881 45.100 -0.724 0.000 0.784 151 G HN 0.278 nan 8.290 nan 0.000 0.543 152 L N -0.353 120.665 121.223 -0.342 0.000 2.209 152 L HA 0.134 4.476 4.340 0.004 0.000 0.207 152 L C 2.660 179.366 176.870 -0.273 0.000 1.094 152 L CA 0.739 55.398 54.840 -0.303 0.000 0.790 152 L CB -0.078 41.814 42.059 -0.278 0.000 0.932 152 L HN 0.230 nan 8.230 nan 0.000 0.447 153 E N -1.257 118.759 120.200 -0.306 0.000 2.216 153 E HA 0.015 4.368 4.350 0.004 0.000 0.192 153 E C 0.298 176.512 176.600 -0.642 0.000 0.973 153 E CA 0.464 56.603 56.400 -0.436 0.000 0.851 153 E CB 0.431 29.856 29.700 -0.457 0.000 0.804 153 E HN 0.473 nan 8.360 nan 0.000 0.477 154 H N 0.051 119.049 119.070 -0.120 0.000 2.535 154 H HA 0.148 4.706 4.556 0.003 0.000 0.232 154 H C -1.894 173.423 175.328 -0.018 0.000 1.405 154 H CA -1.481 54.533 56.048 -0.055 0.000 1.224 154 H CB 0.741 30.484 29.762 -0.031 0.000 1.763 154 H HN 0.125 nan 8.280 nan 0.000 0.529 155 P HA -0.137 nan 4.420 nan 0.000 0.218 155 P C 0.819 178.157 177.300 0.064 0.000 1.148 155 P CA 1.102 64.218 63.100 0.027 0.000 0.822 155 P CB 0.552 32.227 31.700 -0.041 0.000 0.784 156 D N -0.087 120.346 120.400 0.055 0.000 2.317 156 D HA -0.051 4.591 4.640 0.004 0.000 0.211 156 D C 1.605 177.930 176.300 0.042 0.000 0.966 156 D CA 0.665 54.689 54.000 0.040 0.000 0.876 156 D CB 0.025 40.842 40.800 0.029 0.000 0.927 156 D HN 0.478 nan 8.370 nan 0.000 0.519 157 R N -0.603 119.946 120.500 0.082 0.000 2.629 157 R HA 0.139 4.482 4.340 0.004 0.000 0.386 157 R C 0.047 176.400 176.300 0.088 0.000 1.071 157 R CA -0.552 55.581 56.100 0.056 0.000 1.104 157 R CB -0.180 30.147 30.300 0.045 0.000 1.370 157 R HN 0.011 nan 8.270 nan 0.000 0.574 158 W N 1.165 122.381 121.300 -0.141 0.000 2.429 158 W HA 0.435 5.097 4.660 0.003 0.000 0.314 158 W C -0.441 175.833 176.519 -0.408 0.000 1.062 158 W CA -0.511 56.692 57.345 -0.237 0.000 1.211 158 W CB 1.928 31.279 29.460 -0.180 0.000 1.305 158 W HN 0.172 nan 8.180 nan 0.000 0.476 159 G N 2.938 110.883 108.800 -1.425 0.000 2.557 159 G HA2 0.404 4.366 3.960 0.004 0.000 0.213 159 G HA3 0.404 4.366 3.960 0.004 0.000 0.213 159 G C 0.293 173.610 174.900 -2.639 0.000 1.221 159 G CA 0.887 44.731 45.100 -2.094 0.000 0.832 159 G HN 0.857 nan 8.290 nan 0.000 0.556 160 G N -1.552 105.501 108.800 -2.910 0.000 2.351 160 G HA2 0.381 4.343 3.960 0.004 0.000 0.279 160 G HA3 0.381 4.343 3.960 0.004 0.000 0.279 160 G C -2.006 172.412 174.900 -0.804 0.000 1.297 160 G CA -0.840 43.304 45.100 -1.593 0.000 0.886 160 G HN 0.484 nan 8.290 nan 0.000 0.493 161 L N 0.305 121.370 121.223 -0.262 0.000 2.365 161 L HA 0.774 5.116 4.340 0.004 0.000 0.273 161 L C -0.515 176.326 176.870 -0.048 0.000 1.000 161 L CA -0.686 53.938 54.840 -0.360 0.000 0.819 161 L CB 2.074 43.344 42.059 -1.315 0.000 1.284 161 L HN 0.458 nan 8.230 nan 0.000 0.418 162 I N 1.579 122.211 120.570 0.104 0.000 2.478 162 I HA 0.260 4.433 4.170 0.004 0.000 0.287 162 I C -1.098 175.207 176.117 0.313 0.000 1.042 162 I CA -0.439 61.023 61.300 0.269 0.000 1.067 162 I CB 2.233 40.321 38.000 0.147 0.000 1.233 162 I HN 0.515 nan 8.210 nan 0.000 0.431 163 D N 6.243 126.895 120.400 0.420 0.000 2.225 163 D HA 0.519 5.162 4.640 0.004 0.000 0.248 163 D C -0.733 175.565 176.300 -0.003 0.000 1.096 163 D CA -0.112 54.001 54.000 0.187 0.000 0.863 163 D CB 1.187 42.049 40.800 0.104 0.000 1.156 163 D HN 0.324 nan 8.370 nan 0.000 0.450 164 L N 5.211 126.356 121.223 -0.129 0.000 2.379 164 L HA 0.509 4.852 4.340 0.004 0.000 0.269 164 L C -1.786 174.986 176.870 -0.164 0.000 1.084 164 L CA -1.787 52.978 54.840 -0.126 0.000 0.802 164 L CB 1.391 43.370 42.059 -0.133 0.000 1.175 164 L HN 0.416 nan 8.230 nan 0.000 0.448 165 P HA 0.023 nan 4.420 nan 0.000 0.277 165 P C -0.025 177.233 177.300 -0.071 0.000 1.271 165 P CA -0.340 62.706 63.100 -0.091 0.000 0.795 165 P CB 0.802 32.468 31.700 -0.057 0.000 1.101 166 E N -0.135 120.031 120.200 -0.056 0.000 2.150 166 E HA -0.062 4.290 4.350 0.004 0.000 0.193 166 E C -0.246 176.377 176.600 0.038 0.000 0.985 166 E CA 1.257 57.647 56.400 -0.016 0.000 0.814 166 E CB -0.130 29.559 29.700 -0.019 0.000 0.752 166 E HN 0.374 nan 8.360 nan 0.000 0.466 167 T N 1.259 115.826 114.554 0.021 0.000 2.772 167 T HA 0.342 4.695 4.350 0.004 0.000 0.288 167 T C -0.490 174.232 174.700 0.036 0.000 0.994 167 T CA -0.474 61.649 62.100 0.038 0.000 0.951 167 T CB 2.010 70.892 68.868 0.024 0.000 0.933 167 T HN -0.201 nan 8.240 nan 0.000 0.447 168 V N 5.858 125.809 119.914 0.062 0.000 2.299 168 V HA 0.176 4.298 4.120 0.004 0.000 0.255 168 V C 0.555 176.673 176.094 0.039 0.000 1.100 168 V CA -0.864 61.471 62.300 0.058 0.000 0.938 168 V CB -0.483 31.400 31.823 0.101 0.000 1.139 168 V HN 0.887 nan 8.190 nan 0.000 0.490 169 D N 2.469 122.883 120.400 0.023 0.000 2.447 169 D HA 0.033 4.675 4.640 0.004 0.000 0.265 169 D C 1.463 177.769 176.300 0.011 0.000 1.250 169 D CA -0.049 53.960 54.000 0.015 0.000 1.046 169 D CB 0.780 41.585 40.800 0.009 0.000 1.095 169 D HN 0.217 nan 8.370 nan 0.000 0.555 170 T N -1.813 112.744 114.554 0.006 0.000 2.867 170 T HA -0.163 4.189 4.350 0.004 0.000 0.268 170 T C 1.799 176.498 174.700 -0.000 0.000 1.057 170 T CA 1.665 63.766 62.100 0.002 0.000 1.136 170 T CB -0.295 68.573 68.868 -0.000 0.000 0.874 170 T HN 0.459 nan 8.240 nan 0.000 0.466 171 R N 0.045 120.545 120.500 -0.000 0.000 2.075 171 R HA 0.048 4.390 4.340 0.004 0.000 0.232 171 R C 2.579 178.878 176.300 -0.002 0.000 1.126 171 R CA 1.415 57.514 56.100 -0.002 0.000 0.963 171 R CB -0.607 29.692 30.300 -0.001 0.000 0.858 171 R HN 0.420 nan 8.270 nan 0.000 0.435 172 A N 0.847 123.668 122.820 0.001 0.000 1.898 172 A HA -0.063 4.259 4.320 0.004 0.000 0.216 172 A C 2.382 179.967 177.584 0.002 0.000 1.181 172 A CA 1.566 53.605 52.037 0.003 0.000 0.620 172 A CB -0.794 18.212 19.000 0.009 0.000 0.819 172 A HN 0.540 nan 8.150 nan 0.000 0.442 173 A N -0.101 122.722 122.820 0.006 0.000 1.908 173 A HA 0.113 4.436 4.320 0.004 0.000 0.218 173 A C 2.469 180.044 177.584 -0.016 0.000 1.181 173 A CA 2.189 54.226 52.037 0.000 0.000 0.627 173 A CB -0.950 18.052 19.000 0.003 0.000 0.818 173 A HN 1.079 nan 8.150 nan 0.000 0.445 174 A N -0.572 122.239 122.820 -0.015 0.000 1.969 174 A HA -0.085 4.237 4.320 0.004 0.000 0.218 174 A C 2.212 179.778 177.584 -0.030 0.000 1.169 174 A CA 1.388 53.412 52.037 -0.023 0.000 0.635 174 A CB -0.371 18.620 19.000 -0.016 0.000 0.810 174 A HN 0.547 nan 8.150 nan 0.000 0.445 175 R N -1.113 119.374 120.500 -0.023 0.000 2.075 175 R HA -0.068 4.274 4.340 0.004 0.000 0.232 175 R C 2.121 178.389 176.300 -0.054 0.000 1.126 175 R CA 1.376 57.460 56.100 -0.027 0.000 0.963 175 R CB -0.508 29.785 30.300 -0.011 0.000 0.858 175 R HN 0.496 nan 8.270 nan 0.000 0.435 176 L N 0.823 122.014 121.223 -0.055 0.000 1.994 176 L HA -0.184 4.159 4.340 0.004 0.000 0.208 176 L C 2.293 179.083 176.870 -0.134 0.000 1.071 176 L CA 2.480 57.265 54.840 -0.091 0.000 0.745 176 L CB -0.950 41.078 42.059 -0.052 0.000 0.892 176 L HN 0.319 nan 8.230 nan 0.000 0.431 177 T N -3.572 110.925 114.554 -0.095 0.000 2.867 177 T HA -0.026 4.326 4.350 0.004 0.000 0.268 177 T C 1.967 176.599 174.700 -0.114 0.000 1.057 177 T CA 0.759 62.795 62.100 -0.106 0.000 1.136 177 T CB -1.435 67.389 68.868 -0.074 0.000 0.874 177 T HN 0.415 nan 8.240 nan 0.000 0.466 178 G N 1.759 110.505 108.800 -0.089 0.000 2.418 178 G HA2 -0.060 3.902 3.960 0.004 0.000 0.217 178 G HA3 -0.060 3.902 3.960 0.004 0.000 0.217 178 G C 1.512 176.356 174.900 -0.093 0.000 1.158 178 G CA 0.746 45.801 45.100 -0.074 0.000 0.771 178 G HN 0.521 nan 8.290 nan 0.000 0.545 179 L N -0.083 121.056 121.223 -0.140 0.000 2.083 179 L HA 0.004 4.346 4.340 0.004 0.000 0.209 179 L C 2.870 179.553 176.870 -0.311 0.000 1.083 179 L CA 0.513 55.230 54.840 -0.206 0.000 0.752 179 L CB -0.348 41.539 42.059 -0.286 0.000 0.899 179 L HN 0.179 nan 8.230 nan 0.000 0.433 180 L N -0.615 120.384 121.223 -0.374 0.000 2.131 180 L HA -0.182 4.160 4.340 0.004 0.000 0.210 180 L C 2.842 179.702 176.870 -0.016 0.000 1.092 180 L CA 0.991 55.615 54.840 -0.360 0.000 0.759 180 L CB -0.709 41.170 42.059 -0.301 0.000 0.903 180 L HN 0.252 nan 8.230 nan 0.000 0.435 181 A N -1.367 121.420 122.820 -0.055 0.000 1.873 181 A HA -0.140 4.182 4.320 0.004 0.000 0.215 181 A C 0.927 178.574 177.584 0.105 0.000 1.186 181 A CA 1.297 53.327 52.037 -0.012 0.000 0.616 181 A CB -0.059 18.894 19.000 -0.078 0.000 0.823 181 A HN 0.413 nan 8.150 nan 0.000 0.442 182 D N -2.897 117.536 120.400 0.055 0.000 2.931 182 D HA 0.464 5.106 4.640 0.004 0.000 0.215 182 D C -0.528 175.810 176.300 0.064 0.000 1.297 182 D CA 0.279 54.331 54.000 0.086 0.000 0.892 182 D CB 1.767 42.610 40.800 0.071 0.000 1.642 182 D HN 0.086 nan 8.370 nan 0.000 0.560 183 A N 1.800 124.692 122.820 0.120 0.000 2.430 183 A HA 0.506 4.828 4.320 0.004 0.000 0.243 183 A C 1.327 178.988 177.584 0.128 0.000 1.254 183 A CA 0.653 52.768 52.037 0.129 0.000 0.914 183 A CB 0.026 19.192 19.000 0.276 0.000 0.998 183 A HN 0.992 nan 8.150 nan 0.000 0.515 184 G N -1.184 107.677 108.800 0.103 0.000 2.225 184 G HA2 0.092 4.054 3.960 0.004 0.000 0.267 184 G HA3 0.092 4.054 3.960 0.004 0.000 0.267 184 G C 1.492 176.449 174.900 0.094 0.000 1.024 184 G CA 0.897 46.049 45.100 0.086 0.000 0.784 184 G HN 2.096 nan 8.290 nan 0.000 0.507 185 G N -1.803 107.063 108.800 0.109 0.000 2.179 185 G HA2 -0.242 3.720 3.960 0.004 0.000 0.260 185 G HA3 -0.242 3.720 3.960 0.004 0.000 0.260 185 G C 0.159 175.129 174.900 0.117 0.000 0.977 185 G CA 0.887 46.047 45.100 0.099 0.000 0.641 185 G HN 0.925 nan 8.290 nan 0.000 0.533 186 E N 0.643 120.933 120.200 0.149 0.000 2.277 186 E HA 0.494 4.846 4.350 0.004 0.000 0.274 186 E C 0.383 177.120 176.600 0.229 0.000 1.022 186 E CA 0.255 56.762 56.400 0.177 0.000 0.853 186 E CB 1.353 31.163 29.700 0.184 0.000 1.086 186 E HN 0.497 nan 8.360 nan 0.000 0.397 187 D N 0.014 120.536 120.400 0.203 0.000 2.567 187 D HA -0.002 4.640 4.640 0.004 0.000 0.268 187 D C -0.322 176.092 176.300 0.190 0.000 1.448 187 D CA -0.124 53.960 54.000 0.140 0.000 0.811 187 D CB 0.095 40.895 40.800 -0.001 0.000 1.192 187 D HN 0.194 nan 8.370 nan 0.000 0.488 188 Q N 0.856 120.830 119.800 0.289 0.000 2.786 188 Q HA 0.497 4.839 4.340 0.004 0.000 0.240 188 Q C -1.347 175.019 176.000 0.609 0.000 0.928 188 Q CA -0.286 55.778 55.803 0.435 0.000 0.721 188 Q CB 2.114 31.108 28.738 0.426 0.000 1.318 188 Q HN 0.113 nan 8.270 nan 0.000 0.474 189 L N 1.018 122.660 121.223 0.698 0.000 2.370 189 L HA 0.922 5.264 4.340 0.004 0.000 0.266 189 L C -0.672 176.563 176.870 0.608 0.000 1.002 189 L CA -0.817 54.376 54.840 0.589 0.000 0.818 189 L CB 2.116 44.392 42.059 0.362 0.000 1.325 189 L HN 0.492 nan 8.230 nan 0.000 0.418 190 A N 3.561 126.620 122.820 0.398 0.000 2.319 190 A HA 0.742 5.064 4.320 0.004 0.000 0.310 190 A C -0.728 176.881 177.584 0.042 0.000 1.152 190 A CA -0.388 51.695 52.037 0.077 0.000 0.783 190 A CB 0.544 19.321 19.000 -0.372 0.000 1.184 190 A HN 0.626 nan 8.150 nan 0.000 0.474 191 I N 3.535 124.117 120.570 0.020 0.000 2.352 191 I HA 0.375 4.547 4.170 0.004 0.000 0.290 191 I C 0.258 176.351 176.117 -0.040 0.000 1.036 191 I CA -0.283 61.018 61.300 0.002 0.000 1.336 191 I CB 0.583 38.587 38.000 0.007 0.000 1.407 191 I HN 0.598 nan 8.210 nan 0.000 0.497 192 R N 3.548 124.026 120.500 -0.036 0.000 2.869 192 R HA 0.381 4.723 4.340 0.004 0.000 0.263 192 R C 0.944 177.225 176.300 -0.032 0.000 1.066 192 R CA -0.689 55.378 56.100 -0.055 0.000 0.960 192 R CB 1.007 31.261 30.300 -0.077 0.000 1.221 192 R HN 0.683 nan 8.270 nan 0.000 0.474 193 G N 0.120 108.899 108.800 -0.035 0.000 2.450 193 G HA2 -0.264 3.698 3.960 0.004 0.000 0.220 193 G HA3 -0.264 3.698 3.960 0.004 0.000 0.220 193 G C 1.033 175.924 174.900 -0.014 0.000 1.130 193 G CA 1.370 46.457 45.100 -0.022 0.000 0.760 193 G HN 0.562 nan 8.290 nan 0.000 0.557 194 S N -0.931 114.759 115.700 -0.016 0.000 2.528 194 S HA 0.506 4.978 4.470 0.004 0.000 0.219 194 S C 0.975 175.578 174.600 0.004 0.000 0.985 194 S CA 0.659 58.855 58.200 -0.006 0.000 0.914 194 S CB 0.324 63.520 63.200 -0.007 0.000 0.776 194 S HN 1.276 nan 8.310 nan 0.000 0.526 195 G N -0.052 108.751 108.800 0.005 0.000 2.359 195 G HA2 0.319 4.281 3.960 0.004 0.000 0.293 195 G HA3 0.319 4.281 3.960 0.004 0.000 0.293 195 G C -1.664 173.254 174.900 0.029 0.000 1.300 195 G CA -0.495 44.617 45.100 0.020 0.000 0.888 195 G HN 0.385 nan 8.290 nan 0.000 0.541 196 V N 1.055 120.998 119.914 0.047 0.000 2.406 196 V HA 0.556 4.678 4.120 0.004 0.000 0.272 196 V C 0.474 176.639 176.094 0.118 0.000 1.043 196 V CA -0.279 62.066 62.300 0.076 0.000 0.915 196 V CB 0.716 32.583 31.823 0.073 0.000 0.988 196 V HN 0.585 nan 8.190 nan 0.000 0.466 197 L N 4.348 125.672 121.223 0.168 0.000 2.331 197 L HA 0.923 5.265 4.340 0.004 0.000 0.275 197 L C 0.175 177.310 176.870 0.442 0.000 1.022 197 L CA -0.524 54.481 54.840 0.274 0.000 0.812 197 L CB 1.775 43.995 42.059 0.268 0.000 1.257 197 L HN 0.697 nan 8.230 nan 0.000 0.435 198 A N 2.158 125.225 122.820 0.411 0.000 2.413 198 A HA 0.676 4.998 4.320 0.004 0.000 0.307 198 A C -0.792 176.794 177.584 0.004 0.000 1.087 198 A CA -0.713 51.509 52.037 0.309 0.000 0.750 198 A CB 1.645 20.757 19.000 0.186 0.000 1.296 198 A HN 0.777 nan 8.150 nan 0.000 0.423 199 R N 0.916 121.162 120.500 -0.423 0.000 2.390 199 R HA 0.488 4.830 4.340 0.004 0.000 0.291 199 R C -0.774 175.274 176.300 -0.419 0.000 1.070 199 R CA -0.197 55.308 56.100 -0.992 0.000 1.014 199 R CB 0.448 30.161 30.300 -0.977 0.000 1.007 199 R HN 0.688 nan 8.270 nan 0.000 0.466 200 R N 3.478 123.730 120.500 -0.413 0.000 2.673 200 R HA 0.346 4.689 4.340 0.004 0.000 0.281 200 R C -1.405 174.817 176.300 -0.130 0.000 0.991 200 R CA -1.154 54.838 56.100 -0.180 0.000 0.896 200 R CB 1.492 31.728 30.300 -0.106 0.000 1.201 200 R HN 0.444 nan 8.270 nan 0.000 0.457 201 L N 1.518 122.690 121.223 -0.085 0.000 2.295 201 L HA 0.757 5.100 4.340 0.004 0.000 0.285 201 L C -0.760 176.053 176.870 -0.094 0.000 1.035 201 L CA -0.107 54.698 54.840 -0.058 0.000 0.806 201 L CB 1.461 43.483 42.059 -0.063 0.000 1.214 201 L HN 0.823 nan 8.230 nan 0.000 0.426 202 A N 3.383 126.156 122.820 -0.078 0.000 2.498 202 A HA 0.550 4.872 4.320 0.004 0.000 0.298 202 A C -0.994 176.459 177.584 -0.218 0.000 1.075 202 A CA -0.699 51.247 52.037 -0.152 0.000 0.714 202 A CB 0.803 19.724 19.000 -0.131 0.000 1.299 202 A HN 0.743 nan 8.150 nan 0.000 0.407 203 H N 0.668 119.626 119.070 -0.187 0.000 2.897 203 H HA 0.328 4.885 4.556 0.002 0.000 0.347 203 H C 0.954 176.017 175.328 -0.442 0.000 1.068 203 H CA 1.150 56.950 56.048 -0.414 0.000 1.426 203 H CB 1.069 30.631 29.762 -0.333 0.000 1.410 203 H HN 0.853 nan 8.280 nan 0.000 0.597 204 A N 2.138 124.768 122.820 -0.317 0.000 2.332 204 A HA 0.495 4.817 4.320 0.004 0.000 0.258 204 A C 0.336 177.875 177.584 -0.074 0.000 1.087 204 A CA -0.096 51.822 52.037 -0.198 0.000 0.802 204 A CB 0.172 19.140 19.000 -0.053 0.000 1.042 204 A HN 0.827 nan 8.150 nan 0.000 0.489 205 A N 1.869 124.700 122.820 0.018 0.000 2.462 205 A HA 0.545 4.867 4.320 0.004 0.000 0.243 205 A C -2.222 175.357 177.584 -0.008 0.000 1.076 205 A CA -0.987 51.055 52.037 0.009 0.000 0.773 205 A CB -0.773 18.254 19.000 0.044 0.000 1.010 205 A HN 0.630 nan 8.150 nan 0.000 0.493 206 P HA 0.296 nan 4.420 nan 0.000 0.269 206 P C -0.157 177.137 177.300 -0.009 0.000 1.209 206 P CA 0.195 63.276 63.100 -0.032 0.000 0.776 206 P CB 0.622 32.295 31.700 -0.045 0.000 0.876 207 A N 2.649 125.467 122.820 -0.004 0.000 2.477 207 A HA 0.249 4.572 4.320 0.004 0.000 0.246 207 A C 0.098 177.686 177.584 0.007 0.000 1.078 207 A CA -0.343 51.700 52.037 0.010 0.000 0.770 207 A CB -0.324 18.686 19.000 0.016 0.000 1.011 207 A HN 0.428 nan 8.150 nan 0.000 0.494 208 V N 3.047 122.969 119.914 0.012 0.000 2.381 208 V HA 0.266 4.388 4.120 0.004 0.000 0.257 208 V C -2.309 173.794 176.094 0.015 0.000 1.057 208 V CA -1.450 60.857 62.300 0.012 0.000 1.013 208 V CB -0.190 31.641 31.823 0.013 0.000 1.069 208 V HN 0.713 nan 8.190 nan 0.000 0.484 209 P HA 0.433 nan 4.420 nan 0.000 0.276 209 P C 1.078 178.388 177.300 0.016 0.000 1.230 209 P CA 0.944 64.054 63.100 0.016 0.000 0.776 209 P CB 1.218 32.925 31.700 0.013 0.000 0.888 210 G N 2.097 110.909 108.800 0.020 0.000 2.195 210 G HA2 -0.291 3.672 3.960 0.004 0.000 0.246 210 G HA3 -0.291 3.672 3.960 0.004 0.000 0.246 210 G C 0.941 175.854 174.900 0.021 0.000 0.984 210 G CA 0.501 45.613 45.100 0.020 0.000 0.633 210 G HN 0.597 nan 8.290 nan 0.000 0.525 211 S N -0.221 115.492 115.700 0.022 0.000 2.517 211 S HA 0.533 5.005 4.470 0.004 0.000 0.214 211 S C 1.339 175.954 174.600 0.025 0.000 0.991 211 S CA 0.846 59.059 58.200 0.021 0.000 0.906 211 S CB 0.752 63.964 63.200 0.019 0.000 0.789 211 S HN 1.538 nan 8.310 nan 0.000 0.513 212 G N 1.732 110.550 108.800 0.031 0.000 2.420 212 G HA2 0.483 4.445 3.960 0.004 0.000 0.284 212 G HA3 0.483 4.445 3.960 0.004 0.000 0.284 212 G C -0.162 174.761 174.900 0.038 0.000 1.177 212 G CA -1.045 44.077 45.100 0.037 0.000 0.841 212 G HN 0.463 nan 8.290 nan 0.000 0.527 213 K N 1.926 122.349 120.400 0.039 0.000 3.010 213 K HA 0.234 4.556 4.320 0.004 0.000 0.211 213 K C 0.476 177.106 176.600 0.049 0.000 1.146 213 K CA -0.699 55.611 56.287 0.038 0.000 1.070 213 K CB 0.909 33.426 32.500 0.029 0.000 0.908 213 K HN 0.400 nan 8.250 nan 0.000 0.463 214 R N 2.706 123.242 120.500 0.061 0.000 2.473 214 R HA 0.043 4.385 4.340 0.004 0.000 0.315 214 R C -2.051 174.298 176.300 0.082 0.000 0.972 214 R CA -1.015 55.133 56.100 0.079 0.000 1.047 214 R CB 0.063 30.420 30.300 0.096 0.000 0.932 214 R HN 0.121 nan 8.270 nan 0.000 0.411 215 P HA 0.094 nan 4.420 nan 0.000 0.270 215 P C -2.463 174.912 177.300 0.126 0.000 1.223 215 P CA -1.041 62.118 63.100 0.099 0.000 0.785 215 P CB 0.081 31.856 31.700 0.124 0.000 0.923 216 P HA 0.010 nan 4.420 nan 0.000 0.271 216 P C -0.539 176.910 177.300 0.250 0.000 1.218 216 P CA 0.058 63.234 63.100 0.128 0.000 0.780 216 P CB 0.377 32.115 31.700 0.063 0.000 0.901 217 V N 5.421 125.458 119.914 0.206 0.000 2.585 217 V HA 0.147 4.270 4.120 0.004 0.000 0.296 217 V C 0.857 177.112 176.094 0.269 0.000 1.035 217 V CA 0.679 63.105 62.300 0.211 0.000 1.084 217 V CB -0.625 31.283 31.823 0.143 0.000 0.953 217 V HN 0.868 nan 8.190 nan 0.000 0.483 218 H N 2.509 121.626 119.070 0.078 0.000 2.918 218 H HA 0.633 5.191 4.556 0.003 0.000 0.303 218 H C 0.187 175.562 175.328 0.078 0.000 1.380 218 H CA -0.287 55.803 56.048 0.069 0.000 1.134 218 H CB 1.124 30.921 29.762 0.058 0.000 1.842 218 H HN 1.067 nan 8.280 nan 0.000 0.533 219 G N 0.318 109.154 108.800 0.060 0.000 2.552 219 G HA2 -0.241 3.721 3.960 0.004 0.000 0.265 219 G HA3 -0.241 3.721 3.960 0.004 0.000 0.265 219 G C -0.739 174.182 174.900 0.035 0.000 1.234 219 G CA 0.151 45.252 45.100 0.002 0.000 0.944 219 G HN 0.834 nan 8.290 nan 0.000 0.568 220 S N -0.651 115.066 115.700 0.028 0.000 2.480 220 S HA 0.605 5.077 4.470 0.004 0.000 0.286 220 S C 0.053 174.635 174.600 -0.030 0.000 1.180 220 S CA -0.354 57.864 58.200 0.030 0.000 1.075 220 S CB 1.747 64.991 63.200 0.074 0.000 0.996 220 S HN 1.029 nan 8.310 nan 0.000 0.487 221 V N 4.172 124.056 119.914 -0.050 0.000 2.540 221 V HA 0.429 4.551 4.120 0.004 0.000 0.302 221 V C -0.605 175.474 176.094 -0.026 0.000 1.035 221 V CA -0.824 61.482 62.300 0.010 0.000 0.873 221 V CB 1.603 33.465 31.823 0.064 0.000 0.992 221 V HN 0.703 nan 8.190 nan 0.000 0.428 222 L N 6.782 128.016 121.223 0.019 0.000 2.264 222 L HA 0.631 4.974 4.340 0.004 0.000 0.289 222 L C -0.405 176.493 176.870 0.047 0.000 1.044 222 L CA 0.181 55.019 54.840 -0.003 0.000 0.807 222 L CB 1.502 43.563 42.059 0.002 0.000 1.192 222 L HN 0.456 nan 8.230 nan 0.000 0.425 223 V N 4.253 124.174 119.914 0.011 0.000 2.304 223 V HA 0.369 4.492 4.120 0.004 0.000 0.278 223 V C 0.451 176.543 176.094 -0.004 0.000 1.018 223 V CA -0.438 61.869 62.300 0.012 0.000 0.814 223 V CB 0.992 32.800 31.823 -0.024 0.000 1.021 223 V HN 0.892 nan 8.190 nan 0.000 0.440 224 T N 1.013 115.572 114.554 0.010 0.000 2.918 224 T HA 0.474 4.827 4.350 0.004 0.000 0.302 224 T C 1.236 175.918 174.700 -0.029 0.000 1.045 224 T CA 0.459 62.577 62.100 0.029 0.000 1.114 224 T CB 1.280 70.236 68.868 0.147 0.000 0.965 224 T HN 1.847 nan 8.240 nan 0.000 0.540 225 G N 1.376 110.165 108.800 -0.018 0.000 2.321 225 G HA2 -0.192 3.770 3.960 0.004 0.000 0.287 225 G HA3 -0.192 3.770 3.960 0.004 0.000 0.287 225 G C 0.968 175.851 174.900 -0.029 0.000 1.018 225 G CA 0.338 45.420 45.100 -0.030 0.000 0.855 225 G HN 1.454 nan 8.290 nan 0.000 0.507 226 G N -0.638 108.148 108.800 -0.022 0.000 2.534 226 G HA2 0.134 4.096 3.960 0.004 0.000 0.217 226 G HA3 0.134 4.096 3.960 0.004 0.000 0.217 226 G C 1.615 176.501 174.900 -0.023 0.000 1.128 226 G CA 1.851 46.936 45.100 -0.025 0.000 0.784 226 G HN 1.229 nan 8.290 nan 0.000 0.542 227 T N -1.735 112.808 114.554 -0.019 0.000 3.100 227 T HA 0.376 4.728 4.350 0.004 0.000 0.253 227 T C 1.378 176.063 174.700 -0.024 0.000 1.118 227 T CA 0.279 62.369 62.100 -0.017 0.000 1.058 227 T CB 0.599 69.461 68.868 -0.010 0.000 0.953 227 T HN 0.224 nan 8.240 nan 0.000 0.515 228 G N 0.307 109.087 108.800 -0.033 0.000 2.563 228 G HA2 0.494 4.456 3.960 0.004 0.000 0.283 228 G HA3 0.494 4.456 3.960 0.004 0.000 0.283 228 G C 1.103 175.959 174.900 -0.073 0.000 1.309 228 G CA -0.361 44.711 45.100 -0.047 0.000 1.022 228 G HN 0.216 nan 8.290 nan 0.000 0.501 229 G N -0.555 108.183 108.800 -0.103 0.000 2.484 229 G HA2 -0.187 3.775 3.960 0.004 0.000 0.215 229 G HA3 -0.187 3.775 3.960 0.004 0.000 0.215 229 G C 1.683 176.451 174.900 -0.221 0.000 1.219 229 G CA 1.002 46.023 45.100 -0.132 0.000 0.791 229 G HN 0.484 nan 8.290 nan 0.000 0.550 230 I N 1.345 121.657 120.570 -0.430 0.000 2.226 230 I HA -0.074 4.098 4.170 0.004 0.000 0.245 230 I C 3.075 179.058 176.117 -0.223 0.000 1.100 230 I CA 0.931 61.819 61.300 -0.686 0.000 1.374 230 I CB -0.488 36.841 38.000 -1.118 0.000 1.057 230 I HN 0.274 nan 8.210 nan 0.000 0.413 231 G N 0.561 109.305 108.800 -0.094 0.000 2.422 231 G HA2 -0.185 3.777 3.960 0.004 0.000 0.218 231 G HA3 -0.185 3.777 3.960 0.004 0.000 0.218 231 G C 1.710 176.591 174.900 -0.031 0.000 1.146 231 G CA 0.835 45.929 45.100 -0.009 0.000 0.769 231 G HN 0.498 nan 8.290 nan 0.000 0.547 232 G N 0.234 109.008 108.800 -0.042 0.000 2.408 232 G HA2 -0.115 3.847 3.960 0.004 0.000 0.217 232 G HA3 -0.115 3.847 3.960 0.004 0.000 0.217 232 G C 1.971 176.864 174.900 -0.012 0.000 1.150 232 G CA 0.417 45.501 45.100 -0.026 0.000 0.776 232 G HN 0.228 nan 8.290 nan 0.000 0.542 233 R N 0.233 120.732 120.500 -0.002 0.000 2.090 233 R HA 0.054 4.397 4.340 0.004 0.000 0.228 233 R C 2.719 179.045 176.300 0.043 0.000 1.110 233 R CA 0.581 56.708 56.100 0.045 0.000 0.973 233 R CB -1.180 29.200 30.300 0.132 0.000 0.869 233 R HN 0.336 nan 8.270 nan 0.000 0.440 234 V N 1.520 121.453 119.914 0.031 0.000 2.255 234 V HA -0.280 3.842 4.120 0.004 0.000 0.247 234 V C 2.564 178.594 176.094 -0.105 0.000 1.051 234 V CA 2.077 64.363 62.300 -0.024 0.000 1.018 234 V CB -1.003 30.827 31.823 0.012 0.000 0.641 234 V HN 0.322 nan 8.190 nan 0.000 0.445 235 A N -0.105 122.665 122.820 -0.083 0.000 1.892 235 A HA -0.309 4.013 4.320 0.004 0.000 0.218 235 A C 2.435 179.991 177.584 -0.046 0.000 1.188 235 A CA 2.338 54.328 52.037 -0.079 0.000 0.631 235 A CB -0.663 18.308 19.000 -0.049 0.000 0.822 235 A HN 0.498 nan 8.150 nan 0.000 0.447 236 R N -0.732 119.756 120.500 -0.021 0.000 2.081 236 R HA -0.175 4.167 4.340 0.004 0.000 0.235 236 R C 2.396 178.695 176.300 -0.001 0.000 1.131 236 R CA 1.851 57.949 56.100 -0.004 0.000 0.960 236 R CB -0.237 30.067 30.300 0.007 0.000 0.856 236 R HN 0.480 nan 8.270 nan 0.000 0.436 237 R N 0.429 120.927 120.500 -0.003 0.000 2.092 237 R HA -0.033 4.309 4.340 0.004 0.000 0.231 237 R C 2.289 178.583 176.300 -0.010 0.000 1.119 237 R CA 1.194 57.298 56.100 0.006 0.000 0.970 237 R CB -0.316 29.997 30.300 0.020 0.000 0.864 237 R HN 0.256 nan 8.270 nan 0.000 0.440 238 L N -0.120 121.069 121.223 -0.056 0.000 2.083 238 L HA -0.103 4.240 4.340 0.004 0.000 0.209 238 L C 2.539 179.408 176.870 -0.002 0.000 1.083 238 L CA 1.258 56.068 54.840 -0.050 0.000 0.752 238 L CB -0.564 41.423 42.059 -0.119 0.000 0.899 238 L HN 0.332 nan 8.230 nan 0.000 0.433 239 A N 0.038 122.857 122.820 -0.002 0.000 1.877 239 A HA -0.240 4.082 4.320 0.004 0.000 0.216 239 A C 2.171 179.771 177.584 0.026 0.000 1.186 239 A CA 1.800 53.848 52.037 0.018 0.000 0.620 239 A CB -0.467 18.542 19.000 0.015 0.000 0.822 239 A HN 0.444 nan 8.150 nan 0.000 0.443 240 E N -0.443 119.770 120.200 0.022 0.000 2.110 240 E HA -0.218 4.134 4.350 0.004 0.000 0.193 240 E C 2.133 178.755 176.600 0.037 0.000 0.988 240 E CA 1.392 57.809 56.400 0.028 0.000 0.804 240 E CB -0.160 29.556 29.700 0.026 0.000 0.745 240 E HN 0.742 nan 8.360 nan 0.000 0.458 241 Q N -1.216 118.609 119.800 0.042 0.000 2.435 241 Q HA 0.038 4.380 4.340 0.004 0.000 0.207 241 Q C 1.080 177.121 176.000 0.068 0.000 0.956 241 Q CA 0.673 56.509 55.803 0.056 0.000 0.917 241 Q CB 0.831 29.607 28.738 0.064 0.000 0.997 241 Q HN 0.400 nan 8.270 nan 0.000 0.497 242 G N -0.238 108.602 108.800 0.066 0.000 2.370 242 G HA2 -0.121 3.841 3.960 0.004 0.000 0.174 242 G HA3 -0.121 3.841 3.960 0.004 0.000 0.174 242 G C 0.152 175.109 174.900 0.095 0.000 1.002 242 G CA -0.356 44.792 45.100 0.081 0.000 0.730 242 G HN 0.425 nan 8.290 nan 0.000 0.497 243 A N 0.562 123.430 122.820 0.080 0.000 2.561 243 A HA 0.625 4.947 4.320 0.004 0.000 0.234 243 A C 1.719 179.355 177.584 0.088 0.000 1.055 243 A CA 1.387 53.471 52.037 0.078 0.000 0.756 243 A CB 0.492 19.520 19.000 0.046 0.000 0.986 243 A HN 1.723 nan 8.150 nan 0.000 0.505 244 A N 1.225 124.109 122.820 0.107 0.000 2.021 244 A HA 0.279 4.602 4.320 0.004 0.000 0.216 244 A C 0.866 178.544 177.584 0.157 0.000 1.163 244 A CA 1.660 53.764 52.037 0.113 0.000 0.676 244 A CB -0.150 18.915 19.000 0.109 0.000 0.818 244 A HN 1.176 nan 8.150 nan 0.000 0.453 245 H N -1.476 117.608 119.070 0.024 0.000 3.042 245 H HA 0.622 5.181 4.556 0.004 0.000 0.345 245 H C -1.809 173.528 175.328 0.015 0.000 1.052 245 H CA -1.042 55.017 56.048 0.018 0.000 1.311 245 H CB 0.550 30.322 29.762 0.018 0.000 1.810 245 H HN 0.073 nan 8.280 nan 0.000 0.505 246 L N 5.490 126.688 121.223 -0.042 0.000 2.296 246 L HA 0.517 4.859 4.340 0.004 0.000 0.286 246 L C -0.570 176.134 176.870 -0.277 0.000 1.023 246 L CA -1.143 53.605 54.840 -0.153 0.000 0.812 246 L CB 1.751 43.783 42.059 -0.045 0.000 1.223 246 L HN 0.415 nan 8.230 nan 0.000 0.421 247 V N 5.654 125.381 119.914 -0.313 0.000 2.328 247 V HA 0.389 4.512 4.120 0.004 0.000 0.278 247 V C -0.020 176.014 176.094 -0.100 0.000 1.021 247 V CA -0.403 61.756 62.300 -0.235 0.000 0.838 247 V CB 1.384 33.058 31.823 -0.248 0.000 0.999 247 V HN 0.498 nan 8.190 nan 0.000 0.447 248 L N 5.549 126.740 121.223 -0.055 0.000 2.313 248 L HA 0.750 5.092 4.340 0.004 0.000 0.283 248 L C 0.365 177.228 176.870 -0.012 0.000 1.013 248 L CA -0.276 54.547 54.840 -0.029 0.000 0.816 248 L CB 1.973 44.019 42.059 -0.021 0.000 1.236 248 L HN 0.746 nan 8.230 nan 0.000 0.419 249 T N -0.477 114.075 114.554 -0.004 0.000 2.930 249 T HA 0.898 5.251 4.350 0.004 0.000 0.290 249 T C -0.277 174.429 174.700 0.011 0.000 1.052 249 T CA -0.590 61.515 62.100 0.009 0.000 1.017 249 T CB 2.220 71.100 68.868 0.019 0.000 1.137 249 T HN 0.748 nan 8.240 nan 0.000 0.511 250 S N 0.189 115.899 115.700 0.016 0.000 2.645 250 S HA 0.399 4.871 4.470 0.004 0.000 0.268 250 S C 0.458 175.071 174.600 0.022 0.000 1.110 250 S CA -1.198 57.012 58.200 0.017 0.000 0.823 250 S CB 1.172 64.377 63.200 0.008 0.000 1.091 250 S HN 0.802 nan 8.310 nan 0.000 0.466 251 R N 0.326 120.841 120.500 0.025 0.000 2.096 251 R HA 0.083 4.425 4.340 0.004 0.000 0.235 251 R C 2.086 178.398 176.300 0.019 0.000 1.127 251 R CA 1.548 57.663 56.100 0.026 0.000 0.968 251 R CB -0.259 30.060 30.300 0.030 0.000 0.861 251 R HN 0.567 nan 8.270 nan 0.000 0.440 252 R N -0.365 120.144 120.500 0.015 0.000 2.246 252 R HA 0.105 4.447 4.340 0.004 0.000 0.199 252 R C 1.256 177.561 176.300 0.009 0.000 0.984 252 R CA 0.394 56.500 56.100 0.010 0.000 1.015 252 R CB 0.317 30.620 30.300 0.006 0.000 0.930 252 R HN 0.340 nan 8.270 nan 0.000 0.475 253 G N 0.984 109.790 108.800 0.010 0.000 2.629 253 G HA2 -0.462 3.500 3.960 0.004 0.000 0.313 253 G HA3 -0.462 3.500 3.960 0.004 0.000 0.313 253 G C 0.852 175.756 174.900 0.007 0.000 1.217 253 G CA 0.459 45.565 45.100 0.010 0.000 0.994 253 G HN 0.407 nan 8.290 nan 0.000 0.549 254 A N -0.464 122.361 122.820 0.009 0.000 2.209 254 A HA 0.271 4.593 4.320 0.004 0.000 0.212 254 A C 1.674 179.261 177.584 0.005 0.000 1.158 254 A CA 2.000 54.041 52.037 0.008 0.000 0.742 254 A CB -0.183 18.823 19.000 0.010 0.000 0.790 254 A HN 0.520 nan 8.150 nan 0.000 0.472 255 D N 0.329 120.732 120.400 0.004 0.000 2.339 255 D HA 0.278 4.920 4.640 0.004 0.000 0.217 255 D C 0.820 177.120 176.300 -0.000 0.000 1.050 255 D CA 0.594 54.595 54.000 0.002 0.000 0.856 255 D CB 0.031 40.832 40.800 0.003 0.000 0.922 255 D HN 0.431 nan 8.370 nan 0.000 0.518 256 A N 1.719 124.539 122.820 -0.000 0.000 2.386 256 A HA 0.381 4.703 4.320 0.004 0.000 0.248 256 A C -2.187 175.394 177.584 -0.006 0.000 1.082 256 A CA -0.967 51.068 52.037 -0.003 0.000 0.789 256 A CB -0.061 18.937 19.000 -0.003 0.000 1.025 256 A HN -0.106 nan 8.150 nan 0.000 0.490 257 P HA 0.254 nan 4.420 nan 0.000 0.264 257 P C 0.997 178.291 177.300 -0.010 0.000 1.193 257 P CA 1.830 64.923 63.100 -0.011 0.000 0.763 257 P CB 0.574 32.265 31.700 -0.015 0.000 0.810 258 G N 2.802 111.597 108.800 -0.008 0.000 2.184 258 G HA2 -0.358 3.605 3.960 0.004 0.000 0.264 258 G HA3 -0.358 3.605 3.960 0.004 0.000 0.264 258 G C 1.208 176.105 174.900 -0.005 0.000 0.975 258 G CA 0.495 45.591 45.100 -0.007 0.000 0.642 258 G HN 0.671 nan 8.290 nan 0.000 0.536 259 A N 0.329 123.146 122.820 -0.004 0.000 1.940 259 A HA 0.341 4.663 4.320 0.004 0.000 0.219 259 A C 2.841 180.426 177.584 0.002 0.000 1.176 259 A CA 2.772 54.808 52.037 -0.001 0.000 0.631 259 A CB -0.843 18.157 19.000 0.000 0.000 0.814 259 A HN 1.820 nan 8.150 nan 0.000 0.446 260 A N -0.428 122.393 122.820 0.002 0.000 1.877 260 A HA -0.180 4.142 4.320 0.004 0.000 0.216 260 A C 2.039 179.625 177.584 0.003 0.000 1.186 260 A CA 1.806 53.844 52.037 0.003 0.000 0.620 260 A CB -0.545 18.456 19.000 0.002 0.000 0.822 260 A HN 0.665 nan 8.150 nan 0.000 0.443 261 E N -0.291 119.910 120.200 0.001 0.000 2.051 261 E HA -0.176 4.176 4.350 0.004 0.000 0.192 261 E C 1.994 178.596 176.600 0.002 0.000 0.991 261 E CA 1.104 57.504 56.400 0.001 0.000 0.799 261 E CB -0.216 29.483 29.700 -0.001 0.000 0.748 261 E HN 0.593 nan 8.360 nan 0.000 0.449 262 L N 0.896 122.119 121.223 0.001 0.000 2.012 262 L HA -0.228 4.115 4.340 0.004 0.000 0.210 262 L C 2.833 179.706 176.870 0.005 0.000 1.073 262 L CA 1.533 56.374 54.840 0.001 0.000 0.748 262 L CB -0.300 41.757 42.059 -0.003 0.000 0.891 262 L HN 0.168 nan 8.230 nan 0.000 0.431 263 R N -0.279 120.226 120.500 0.007 0.000 2.091 263 R HA -0.206 4.136 4.340 0.004 0.000 0.238 263 R C 2.151 178.460 176.300 0.014 0.000 1.136 263 R CA 1.614 57.721 56.100 0.013 0.000 0.959 263 R CB -0.291 30.018 30.300 0.015 0.000 0.856 263 R HN 0.542 nan 8.270 nan 0.000 0.437 264 A N 0.784 123.610 122.820 0.010 0.000 1.897 264 A HA -0.183 4.139 4.320 0.004 0.000 0.215 264 A C 2.002 179.592 177.584 0.010 0.000 1.181 264 A CA 1.408 53.451 52.037 0.010 0.000 0.620 264 A CB -0.564 18.441 19.000 0.007 0.000 0.821 264 A HN 0.579 nan 8.150 nan 0.000 0.443 265 E N -0.329 119.876 120.200 0.008 0.000 2.070 265 E HA -0.244 4.109 4.350 0.004 0.000 0.197 265 E C 1.709 178.316 176.600 0.011 0.000 1.004 265 E CA 1.662 58.067 56.400 0.008 0.000 0.805 265 E CB -0.195 29.508 29.700 0.006 0.000 0.744 265 E HN 0.421 nan 8.360 nan 0.000 0.451 266 L N 1.094 122.324 121.223 0.013 0.000 2.109 266 L HA -0.100 4.242 4.340 0.004 0.000 0.207 266 L C 2.207 179.091 176.870 0.023 0.000 1.086 266 L CA 1.586 56.436 54.840 0.017 0.000 0.760 266 L CB -0.531 41.540 42.059 0.019 0.000 0.910 266 L HN 0.121 nan 8.230 nan 0.000 0.437 267 E N -0.853 119.360 120.200 0.022 0.000 2.152 267 E HA -0.186 4.166 4.350 0.004 0.000 0.192 267 E C 2.136 178.747 176.600 0.018 0.000 0.983 267 E CA 0.514 56.927 56.400 0.023 0.000 0.818 267 E CB -0.066 29.646 29.700 0.020 0.000 0.758 267 E HN 0.471 nan 8.360 nan 0.000 0.467 268 Q N 0.222 120.031 119.800 0.015 0.000 2.181 268 Q HA -0.127 4.215 4.340 0.004 0.000 0.205 268 Q C 2.043 178.052 176.000 0.015 0.000 0.980 268 Q CA 0.969 56.780 55.803 0.013 0.000 0.862 268 Q CB -0.029 28.716 28.738 0.011 0.000 0.905 268 Q HN 0.386 nan 8.270 nan 0.000 0.429 269 L N -0.830 120.404 121.223 0.018 0.000 2.599 269 L HA 0.095 4.437 4.340 0.004 0.000 0.230 269 L C 1.093 177.977 176.870 0.024 0.000 1.141 269 L CA 0.483 55.335 54.840 0.020 0.000 0.877 269 L CB -0.079 41.993 42.059 0.020 0.000 1.009 269 L HN 0.329 nan 8.230 nan 0.000 0.447 270 G N -0.056 108.759 108.800 0.024 0.000 2.131 270 G HA2 -0.221 3.742 3.960 0.004 0.000 0.223 270 G HA3 -0.221 3.742 3.960 0.004 0.000 0.223 270 G C 0.041 174.961 174.900 0.033 0.000 0.990 270 G CA -0.085 45.030 45.100 0.026 0.000 0.671 270 G HN 0.089 nan 8.290 nan 0.000 0.521 271 V N 1.106 121.044 119.914 0.040 0.000 2.472 271 V HA 0.521 4.643 4.120 0.004 0.000 0.290 271 V C 1.202 177.336 176.094 0.066 0.000 1.037 271 V CA -0.895 61.440 62.300 0.058 0.000 0.908 271 V CB 1.666 33.523 31.823 0.057 0.000 0.985 271 V HN 0.476 nan 8.190 nan 0.000 0.454 272 R N 2.777 123.325 120.500 0.081 0.000 2.590 272 R HA 0.421 4.764 4.340 0.004 0.000 0.274 272 R C -1.295 175.136 176.300 0.217 0.000 1.061 272 R CA -0.076 56.073 56.100 0.082 0.000 1.081 272 R CB 0.817 31.078 30.300 -0.065 0.000 0.984 272 R HN 0.527 nan 8.270 nan 0.000 0.448 273 V N 3.578 123.593 119.914 0.169 0.000 2.483 273 V HA 0.280 4.402 4.120 0.004 0.000 0.297 273 V C -0.515 175.679 176.094 0.166 0.000 1.027 273 V CA -0.644 61.749 62.300 0.154 0.000 0.855 273 V CB 2.157 34.024 31.823 0.074 0.000 0.995 273 V HN 0.834 nan 8.190 nan 0.000 0.424 274 T N 6.376 121.036 114.554 0.177 0.000 2.792 274 T HA 0.656 5.008 4.350 0.004 0.000 0.280 274 T C -0.385 174.344 174.700 0.049 0.000 0.990 274 T CA -0.172 62.011 62.100 0.138 0.000 0.960 274 T CB 0.927 69.928 68.868 0.223 0.000 0.939 274 T HN 0.408 nan 8.240 nan 0.000 0.439 275 I N 2.953 123.548 120.570 0.040 0.000 2.382 275 I HA 0.641 4.813 4.170 0.004 0.000 0.286 275 I C 0.050 176.180 176.117 0.022 0.000 1.002 275 I CA -0.943 60.370 61.300 0.021 0.000 1.135 275 I CB 1.366 39.376 38.000 0.017 0.000 1.288 275 I HN 0.628 nan 8.210 nan 0.000 0.448 276 A N 4.878 127.708 122.820 0.017 0.000 2.350 276 A HA 0.878 5.201 4.320 0.004 0.000 0.324 276 A C -0.287 177.307 177.584 0.017 0.000 1.118 276 A CA -0.642 51.406 52.037 0.019 0.000 0.783 276 A CB 1.529 20.541 19.000 0.021 0.000 1.236 276 A HN 0.774 nan 8.150 nan 0.000 0.457 277 A N 1.110 123.940 122.820 0.017 0.000 2.316 277 A HA 0.594 4.916 4.320 0.004 0.000 0.311 277 A C 0.065 177.661 177.584 0.020 0.000 1.339 277 A CA 0.106 52.154 52.037 0.017 0.000 0.960 277 A CB -1.141 17.868 19.000 0.015 0.000 1.152 277 A HN 2.101 nan 8.150 nan 0.000 0.547 278 C N 0.605 119.920 119.300 0.024 0.000 3.303 278 C HA 0.596 5.058 4.460 0.004 0.000 0.340 278 C C -0.756 174.256 174.990 0.037 0.000 1.274 278 C CA -1.074 57.960 59.018 0.028 0.000 1.234 278 C CB 0.966 28.722 27.740 0.026 0.000 1.532 278 C HN 0.771 nan 8.230 nan 0.000 0.483 279 D N 0.588 121.013 120.400 0.042 0.000 2.390 279 D HA 0.437 5.079 4.640 0.004 0.000 0.249 279 D C 1.127 177.471 176.300 0.074 0.000 1.144 279 D CA 0.556 54.590 54.000 0.055 0.000 0.880 279 D CB 1.954 42.786 40.800 0.053 0.000 1.182 279 D HN 0.885 nan 8.370 nan 0.000 0.451 280 A N 3.492 126.367 122.820 0.092 0.000 2.121 280 A HA 0.038 4.360 4.320 0.004 0.000 0.218 280 A C 1.756 179.433 177.584 0.155 0.000 1.154 280 A CA 1.396 53.506 52.037 0.123 0.000 0.679 280 A CB -0.150 18.954 19.000 0.173 0.000 0.795 280 A HN 0.576 nan 8.150 nan 0.000 0.458 281 A N -0.757 122.149 122.820 0.142 0.000 2.251 281 A HA 0.157 4.479 4.320 0.004 0.000 0.209 281 A C 0.633 178.373 177.584 0.261 0.000 1.187 281 A CA 0.404 52.554 52.037 0.187 0.000 0.823 281 A CB -0.133 18.930 19.000 0.105 0.000 0.846 281 A HN 0.317 nan 8.150 nan 0.000 0.486 282 D N 0.287 120.774 120.400 0.144 0.000 2.456 282 D HA 0.151 4.793 4.640 0.004 0.000 0.219 282 D C 1.152 177.409 176.300 -0.071 0.000 1.126 282 D CA -0.361 53.661 54.000 0.038 0.000 0.890 282 D CB 0.402 41.220 40.800 0.029 0.000 1.025 282 D HN 0.305 nan 8.370 nan 0.000 0.511 283 R N 2.912 123.220 120.500 -0.320 0.000 2.081 283 R HA -0.169 4.173 4.340 0.004 0.000 0.235 283 R C 1.414 177.582 176.300 -0.219 0.000 1.131 283 R CA 1.426 57.202 56.100 -0.541 0.000 0.960 283 R CB 0.220 29.978 30.300 -0.902 0.000 0.856 283 R HN 0.409 nan 8.270 nan 0.000 0.436 284 E N -0.231 119.882 120.200 -0.145 0.000 2.058 284 E HA -0.197 4.155 4.350 0.004 0.000 0.194 284 E C 1.811 178.382 176.600 -0.047 0.000 0.997 284 E CA 1.779 58.133 56.400 -0.077 0.000 0.801 284 E CB -0.122 29.547 29.700 -0.051 0.000 0.746 284 E HN 0.490 nan 8.360 nan 0.000 0.450 285 A N 0.313 123.113 122.820 -0.034 0.000 1.930 285 A HA -0.145 4.178 4.320 0.004 0.000 0.217 285 A C 2.097 179.677 177.584 -0.006 0.000 1.175 285 A CA 1.128 53.159 52.037 -0.011 0.000 0.627 285 A CB -0.564 18.438 19.000 0.002 0.000 0.815 285 A HN 0.314 nan 8.150 nan 0.000 0.443 286 L N -0.062 121.154 121.223 -0.012 0.000 2.017 286 L HA -0.082 4.260 4.340 0.004 0.000 0.208 286 L C 2.644 179.512 176.870 -0.004 0.000 1.073 286 L CA 2.284 57.125 54.840 0.002 0.000 0.745 286 L CB -0.881 41.185 42.059 0.011 0.000 0.894 286 L HN 0.332 nan 8.230 nan 0.000 0.432 287 A N -0.438 122.368 122.820 -0.024 0.000 1.908 287 A HA -0.139 4.183 4.320 0.004 0.000 0.218 287 A C 2.460 180.040 177.584 -0.006 0.000 1.181 287 A CA 2.012 54.038 52.037 -0.018 0.000 0.627 287 A CB -1.235 17.745 19.000 -0.033 0.000 0.818 287 A HN 0.609 nan 8.150 nan 0.000 0.445 288 A N -0.729 122.087 122.820 -0.006 0.000 1.902 288 A HA -0.036 4.287 4.320 0.004 0.000 0.217 288 A C 2.130 179.722 177.584 0.013 0.000 1.181 288 A CA 1.696 53.734 52.037 0.003 0.000 0.623 288 A CB -0.604 18.398 19.000 0.002 0.000 0.818 288 A HN 0.588 nan 8.150 nan 0.000 0.443 289 L N -0.259 120.973 121.223 0.016 0.000 2.083 289 L HA -0.097 4.245 4.340 0.004 0.000 0.209 289 L C 2.286 179.174 176.870 0.031 0.000 1.083 289 L CA 1.540 56.396 54.840 0.026 0.000 0.752 289 L CB -0.331 41.740 42.059 0.021 0.000 0.899 289 L HN 0.415 nan 8.230 nan 0.000 0.433 290 L N -1.154 120.083 121.223 0.023 0.000 2.141 290 L HA -0.109 4.233 4.340 0.004 0.000 0.209 290 L C 2.497 179.383 176.870 0.027 0.000 1.094 290 L CA 0.926 55.782 54.840 0.026 0.000 0.763 290 L CB -0.792 41.279 42.059 0.019 0.000 0.908 290 L HN 0.323 nan 8.230 nan 0.000 0.437 291 A N 0.342 123.174 122.820 0.020 0.000 2.067 291 A HA -0.131 4.191 4.320 0.004 0.000 0.217 291 A C 1.945 179.543 177.584 0.024 0.000 1.156 291 A CA 1.068 53.115 52.037 0.018 0.000 0.683 291 A CB -0.299 18.707 19.000 0.010 0.000 0.808 291 A HN 0.595 nan 8.150 nan 0.000 0.455 292 E N 0.018 120.237 120.200 0.032 0.000 2.476 292 E HA 0.231 4.583 4.350 0.004 0.000 0.196 292 E C -0.237 176.394 176.600 0.053 0.000 1.029 292 E CA -0.478 55.944 56.400 0.036 0.000 0.896 292 E CB -0.296 29.424 29.700 0.033 0.000 1.012 292 E HN 0.503 nan 8.360 nan 0.000 0.475 293 L N 2.479 123.743 121.223 0.068 0.000 2.506 293 L HA 0.157 4.499 4.340 0.004 0.000 0.281 293 L C -1.890 175.014 176.870 0.058 0.000 1.228 293 L CA -1.701 53.200 54.840 0.103 0.000 0.850 293 L CB -0.288 41.836 42.059 0.108 0.000 1.110 293 L HN -0.024 nan 8.230 nan 0.000 0.496 294 P HA 0.029 nan 4.420 nan 0.000 0.268 294 P C 0.074 177.387 177.300 0.021 0.000 1.205 294 P CA -0.153 62.945 63.100 -0.004 0.000 0.771 294 P CB 0.663 32.330 31.700 -0.055 0.000 0.858 295 E N 1.459 121.667 120.200 0.014 0.000 2.118 295 E HA -0.205 4.147 4.350 0.004 0.000 0.195 295 E C 1.162 177.779 176.600 0.029 0.000 0.992 295 E CA 1.610 58.023 56.400 0.021 0.000 0.804 295 E CB -0.310 29.399 29.700 0.015 0.000 0.741 295 E HN 0.572 nan 8.360 nan 0.000 0.458 296 D N -1.096 119.319 120.400 0.025 0.000 2.340 296 D HA 0.046 4.688 4.640 0.004 0.000 0.220 296 D C -0.108 176.225 176.300 0.054 0.000 1.039 296 D CA 0.293 54.315 54.000 0.036 0.000 0.866 296 D CB 0.345 41.160 40.800 0.025 0.000 0.913 296 D HN 0.063 nan 8.370 nan 0.000 0.523 297 A N 1.464 124.318 122.820 0.056 0.000 3.317 297 A HA 0.422 4.744 4.320 0.004 0.000 0.307 297 A C -2.756 174.877 177.584 0.083 0.000 1.003 297 A CA -1.094 50.992 52.037 0.082 0.000 0.882 297 A CB 0.777 19.836 19.000 0.099 0.000 1.136 297 A HN -0.026 nan 8.150 nan 0.000 0.488 298 P HA 0.167 nan 4.420 nan 0.000 0.272 298 P C 0.104 177.416 177.300 0.020 0.000 1.230 298 P CA -0.247 62.880 63.100 0.046 0.000 0.788 298 P CB 0.809 32.535 31.700 0.043 0.000 0.949 299 L N 2.638 123.874 121.223 0.021 0.000 2.559 299 L HA 0.022 4.365 4.340 0.004 0.000 0.274 299 L C 1.374 178.231 176.870 -0.022 0.000 1.205 299 L CA 1.364 56.206 54.840 0.005 0.000 0.907 299 L CB -0.286 41.786 42.059 0.021 0.000 1.153 299 L HN 0.581 nan 8.230 nan 0.000 0.490 300 T N 1.181 115.699 114.554 -0.060 0.000 2.959 300 T HA 0.685 5.037 4.350 0.004 0.000 0.254 300 T C 0.330 175.025 174.700 -0.008 0.000 1.003 300 T CA 0.239 62.283 62.100 -0.092 0.000 0.950 300 T CB 0.264 68.943 68.868 -0.316 0.000 1.090 300 T HN 0.782 nan 8.240 nan 0.000 0.503 301 A N 0.394 123.233 122.820 0.032 0.000 2.594 301 A HA 0.683 5.005 4.320 0.004 0.000 0.296 301 A C -1.570 176.049 177.584 0.059 0.000 1.061 301 A CA -0.686 51.386 52.037 0.058 0.000 0.689 301 A CB 1.615 20.703 19.000 0.147 0.000 1.280 301 A HN 0.235 nan 8.150 nan 0.000 0.406 302 V N 1.195 121.078 119.914 -0.052 0.000 2.555 302 V HA 0.649 4.771 4.120 0.004 0.000 0.302 302 V C -1.350 174.524 176.094 -0.366 0.000 1.038 302 V CA -0.273 61.951 62.300 -0.127 0.000 0.887 302 V CB 1.383 33.075 31.823 -0.218 0.000 0.991 302 V HN 0.690 nan 8.190 nan 0.000 0.434 303 F N 3.063 122.883 119.950 -0.216 0.000 2.434 303 F HA 0.396 4.926 4.527 0.004 0.000 0.355 303 F C 0.071 175.619 175.800 -0.420 0.000 1.115 303 F CA -0.630 57.168 58.000 -0.337 0.000 1.010 303 F CB 0.971 39.834 39.000 -0.229 0.000 1.234 303 F HN 0.562 nan 8.300 nan 0.000 0.439 304 H N 1.573 120.311 119.070 -0.555 0.000 2.908 304 H HA 0.278 4.836 4.556 0.003 0.000 0.269 304 H C 0.533 175.585 175.328 -0.460 0.000 1.303 304 H CA -0.218 55.577 56.048 -0.422 0.000 1.341 304 H CB 1.057 30.596 29.762 -0.372 0.000 1.519 304 H HN 0.498 nan 8.280 nan 0.000 0.505 305 S N 2.949 118.346 115.700 -0.506 0.000 2.539 305 S HA 0.370 4.842 4.470 0.004 0.000 0.221 305 S C 0.623 175.089 174.600 -0.222 0.000 0.987 305 S CA 0.073 58.093 58.200 -0.300 0.000 0.929 305 S CB -0.202 62.941 63.200 -0.096 0.000 0.832 305 S HN 0.796 nan 8.310 nan 0.000 0.492 306 A N 0.892 123.504 122.820 -0.346 0.000 2.540 306 A HA 0.578 4.900 4.320 0.004 0.000 0.239 306 A C 0.681 178.162 177.584 -0.172 0.000 1.061 306 A CA 0.604 52.532 52.037 -0.182 0.000 0.758 306 A CB -0.368 18.588 19.000 -0.073 0.000 0.991 306 A HN 0.708 nan 8.150 nan 0.000 0.502 307 G N -0.276 108.500 108.800 -0.040 0.000 2.442 307 G HA2 0.618 4.580 3.960 0.004 0.000 0.296 307 G HA3 0.618 4.580 3.960 0.004 0.000 0.296 307 G C -1.002 173.937 174.900 0.065 0.000 1.564 307 G CA 0.105 45.219 45.100 0.023 0.000 0.828 307 G HN 2.050 nan 8.290 nan 0.000 0.571 308 V N -1.901 118.056 119.914 0.072 0.000 2.914 308 V HA 0.966 5.088 4.120 0.004 0.000 0.314 308 V C 0.520 176.602 176.094 -0.020 0.000 1.084 308 V CA -0.049 62.258 62.300 0.012 0.000 0.963 308 V CB 1.613 33.353 31.823 -0.138 0.000 1.025 308 V HN 2.143 nan 8.190 nan 0.000 0.432 309 A N 0.845 123.562 122.820 -0.171 0.000 2.498 309 A HA 0.352 4.674 4.320 0.004 0.000 0.238 309 A C 0.751 178.159 177.584 -0.292 0.000 1.225 309 A CA 0.196 51.960 52.037 -0.456 0.000 0.978 309 A CB -0.325 18.160 19.000 -0.858 0.000 1.142 309 A HN 1.187 nan 8.150 nan 0.000 0.552 310 H N -1.157 117.836 119.070 -0.129 0.000 2.546 310 H HA 0.404 4.962 4.556 0.004 0.000 0.365 310 H C -0.507 174.787 175.328 -0.056 0.000 1.220 310 H CA 0.666 56.661 56.048 -0.088 0.000 1.386 310 H CB 0.462 30.187 29.762 -0.062 0.000 1.510 310 H HN 0.061 nan 8.280 nan 0.000 0.591 311 D N -0.320 120.123 120.400 0.071 0.000 2.800 311 D HA -0.164 4.478 4.640 0.004 0.000 0.232 311 D C -0.473 175.803 176.300 -0.040 0.000 1.137 311 D CA 1.157 55.173 54.000 0.026 0.000 0.718 311 D CB -0.669 40.168 40.800 0.063 0.000 1.084 311 D HN 0.621 nan 8.370 nan 0.000 0.432 312 D N -0.778 119.595 120.400 -0.044 0.000 2.506 312 D HA 0.838 5.480 4.640 0.004 0.000 0.272 312 D C -0.100 176.186 176.300 -0.024 0.000 1.214 312 D CA 0.306 54.285 54.000 -0.036 0.000 1.067 312 D CB 1.229 42.007 40.800 -0.037 0.000 1.117 312 D HN 0.183 nan 8.370 nan 0.000 0.578 313 A N 0.081 122.889 122.820 -0.020 0.000 2.601 313 A HA 0.574 4.896 4.320 0.004 0.000 0.291 313 A C -2.805 174.768 177.584 -0.017 0.000 1.075 313 A CA -1.107 50.919 52.037 -0.018 0.000 0.671 313 A CB 1.005 19.994 19.000 -0.018 0.000 1.277 313 A HN 0.345 nan 8.150 nan 0.000 0.417 314 P HA 0.131 nan 4.420 nan 0.000 0.267 314 P C 1.232 178.534 177.300 0.003 0.000 1.201 314 P CA -0.046 63.043 63.100 -0.020 0.000 0.775 314 P CB 0.439 32.126 31.700 -0.022 0.000 0.854 315 V N 2.231 122.155 119.914 0.017 0.000 2.317 315 V HA -0.331 3.791 4.120 0.004 0.000 0.251 315 V C 2.233 178.373 176.094 0.078 0.000 1.065 315 V CA 2.765 65.097 62.300 0.053 0.000 1.049 315 V CB -1.609 30.275 31.823 0.101 0.000 0.651 315 V HN 0.718 nan 8.190 nan 0.000 0.450 316 A N -1.141 121.764 122.820 0.142 0.000 2.168 316 A HA -0.136 4.187 4.320 0.004 0.000 0.215 316 A C 1.735 179.339 177.584 0.033 0.000 1.152 316 A CA 1.660 53.754 52.037 0.095 0.000 0.716 316 A CB -0.242 18.844 19.000 0.144 0.000 0.794 316 A HN 0.619 nan 8.150 nan 0.000 0.465 317 D N -1.768 118.643 120.400 0.018 0.000 2.473 317 D HA 0.123 4.765 4.640 0.004 0.000 0.242 317 D C 0.288 176.578 176.300 -0.018 0.000 1.106 317 D CA -0.337 53.661 54.000 -0.003 0.000 0.854 317 D CB -0.103 40.695 40.800 -0.003 0.000 1.192 317 D HN 0.324 nan 8.370 nan 0.000 0.503 318 L N 2.884 124.096 121.223 -0.019 0.000 2.578 318 L HA 0.055 4.397 4.340 0.004 0.000 0.279 318 L C 0.579 177.414 176.870 -0.058 0.000 1.227 318 L CA 0.585 55.403 54.840 -0.036 0.000 0.900 318 L CB 0.296 42.336 42.059 -0.032 0.000 1.144 318 L HN 0.011 nan 8.230 nan 0.000 0.496 319 T N 2.214 116.724 114.554 -0.072 0.000 2.934 319 T HA 0.355 4.707 4.350 0.004 0.000 0.283 319 T C 1.455 176.051 174.700 -0.173 0.000 1.005 319 T CA -0.795 61.242 62.100 -0.105 0.000 1.041 319 T CB 0.805 69.623 68.868 -0.084 0.000 1.042 319 T HN 0.588 nan 8.240 nan 0.000 0.505 320 L N 1.295 122.354 121.223 -0.274 0.000 2.131 320 L HA 0.062 4.405 4.340 0.004 0.000 0.210 320 L C 2.942 179.455 176.870 -0.596 0.000 1.092 320 L CA 1.584 56.096 54.840 -0.546 0.000 0.759 320 L CB -1.047 40.480 42.059 -0.888 0.000 0.903 320 L HN 0.995 nan 8.230 nan 0.000 0.435 321 G N -0.892 107.707 108.800 -0.334 0.000 2.408 321 G HA2 -0.221 3.741 3.960 0.004 0.000 0.217 321 G HA3 -0.221 3.741 3.960 0.004 0.000 0.217 321 G C 1.528 176.372 174.900 -0.093 0.000 1.150 321 G CA 0.227 45.254 45.100 -0.122 0.000 0.776 321 G HN 0.373 nan 8.290 nan 0.000 0.542 322 Q N -0.754 118.988 119.800 -0.097 0.000 2.079 322 Q HA 0.001 4.343 4.340 0.004 0.000 0.200 322 Q C 2.451 178.402 176.000 -0.081 0.000 0.974 322 Q CA 0.870 56.630 55.803 -0.072 0.000 0.840 322 Q CB -0.223 28.479 28.738 -0.059 0.000 0.898 322 Q HN 0.406 nan 8.270 nan 0.000 0.430 323 L N 1.094 122.250 121.223 -0.112 0.000 2.083 323 L HA -0.189 4.153 4.340 0.004 0.000 0.209 323 L C 1.611 178.431 176.870 -0.083 0.000 1.083 323 L CA 2.048 56.832 54.840 -0.093 0.000 0.752 323 L CB -0.460 41.526 42.059 -0.120 0.000 0.899 323 L HN 0.145 nan 8.230 nan 0.000 0.433 324 D N -0.824 119.514 120.400 -0.103 0.000 2.117 324 D HA -0.148 4.494 4.640 0.004 0.000 0.198 324 D C 2.132 178.418 176.300 -0.023 0.000 0.982 324 D CA 1.299 55.273 54.000 -0.043 0.000 0.828 324 D CB 0.011 40.823 40.800 0.020 0.000 0.967 324 D HN 0.416 nan 8.370 nan 0.000 0.464 325 A N -0.300 122.503 122.820 -0.028 0.000 2.015 325 A HA -0.030 4.293 4.320 0.004 0.000 0.219 325 A C 2.190 179.749 177.584 -0.042 0.000 1.163 325 A CA 0.755 52.776 52.037 -0.026 0.000 0.646 325 A CB -0.566 18.414 19.000 -0.034 0.000 0.806 325 A HN 0.355 nan 8.150 nan 0.000 0.448 326 L N -1.147 120.050 121.223 -0.043 0.000 2.270 326 L HA -0.046 4.296 4.340 0.004 0.000 0.210 326 L C 2.450 179.320 176.870 0.001 0.000 1.104 326 L CA 0.455 55.284 54.840 -0.018 0.000 0.804 326 L CB -0.230 41.834 42.059 0.009 0.000 0.937 326 L HN 0.289 nan 8.230 nan 0.000 0.450 327 M N -0.871 118.717 119.600 -0.019 0.000 2.349 327 M HA -0.089 4.393 4.480 0.004 0.000 0.266 327 M C 2.238 178.515 176.300 -0.038 0.000 1.076 327 M CA 1.152 56.430 55.300 -0.036 0.000 1.126 327 M CB -0.957 31.608 32.600 -0.057 0.000 1.392 327 M HN 0.178 nan 8.290 nan 0.000 0.440 328 R N 0.894 121.383 120.500 -0.019 0.000 2.094 328 R HA -0.132 4.210 4.340 0.004 0.000 0.239 328 R C 1.948 178.255 176.300 0.013 0.000 1.137 328 R CA 2.118 58.212 56.100 -0.009 0.000 0.943 328 R CB -0.245 30.062 30.300 0.011 0.000 0.850 328 R HN 0.307 nan 8.270 nan 0.000 0.433 329 A N -0.114 122.731 122.820 0.040 0.000 2.209 329 A HA -0.020 4.302 4.320 0.004 0.000 0.212 329 A C 1.417 179.104 177.584 0.173 0.000 1.158 329 A CA 0.825 52.919 52.037 0.094 0.000 0.742 329 A CB -0.014 19.024 19.000 0.063 0.000 0.790 329 A HN 0.215 nan 8.150 nan 0.000 0.472 330 K N -1.162 119.300 120.400 0.103 0.000 2.344 330 K HA 0.259 4.581 4.320 0.004 0.000 0.229 330 K C 1.851 178.493 176.600 0.071 0.000 1.112 330 K CA 0.381 56.757 56.287 0.149 0.000 0.850 330 K CB -1.024 31.513 32.500 0.063 0.000 1.311 330 K HN 0.365 nan 8.250 nan 0.000 0.448 331 L N 1.757 122.899 121.223 -0.136 0.000 1.976 331 L HA -0.170 4.172 4.340 0.004 0.000 0.209 331 L C 2.219 178.873 176.870 -0.361 0.000 1.071 331 L CA 1.825 56.349 54.840 -0.526 0.000 0.746 331 L CB -0.511 41.132 42.059 -0.693 0.000 0.890 331 L HN 0.203 nan 8.230 nan 0.000 0.432 332 T N -0.089 114.310 114.554 -0.258 0.000 2.777 332 T HA -0.100 4.252 4.350 0.004 0.000 0.266 332 T C 1.820 176.273 174.700 -0.410 0.000 1.040 332 T CA 1.182 63.087 62.100 -0.324 0.000 1.141 332 T CB -0.331 68.418 68.868 -0.197 0.000 0.868 332 T HN 0.546 nan 8.240 nan 0.000 0.444 333 A N 1.339 124.058 122.820 -0.168 0.000 1.898 333 A HA 0.270 4.593 4.320 0.004 0.000 0.216 333 A C 2.604 180.083 177.584 -0.175 0.000 1.181 333 A CA 1.608 53.588 52.037 -0.095 0.000 0.620 333 A CB -0.985 18.052 19.000 0.062 0.000 0.819 333 A HN 0.486 nan 8.150 nan 0.000 0.442 334 A N -0.434 122.292 122.820 -0.156 0.000 1.969 334 A HA -0.102 4.220 4.320 0.004 0.000 0.218 334 A C 2.199 179.866 177.584 0.139 0.000 1.169 334 A CA 1.573 53.560 52.037 -0.084 0.000 0.635 334 A CB -0.441 18.613 19.000 0.089 0.000 0.810 334 A HN 0.541 nan 8.150 nan 0.000 0.445 335 R N -0.910 119.633 120.500 0.072 0.000 2.081 335 R HA -0.170 4.172 4.340 0.004 0.000 0.235 335 R C 1.986 178.360 176.300 0.122 0.000 1.131 335 R CA 1.902 58.071 56.100 0.116 0.000 0.960 335 R CB -0.463 29.822 30.300 -0.026 0.000 0.856 335 R HN 0.783 nan 8.270 nan 0.000 0.436 336 H N -0.143 118.976 119.070 0.082 0.000 2.319 336 H HA -0.147 4.411 4.556 0.004 0.000 0.299 336 H C 2.177 177.546 175.328 0.069 0.000 1.092 336 H CA 1.632 57.712 56.048 0.054 0.000 1.302 336 H CB -0.064 29.713 29.762 0.025 0.000 1.373 336 H HN 0.163 nan 8.280 nan 0.000 0.497 337 L N -0.292 121.052 121.223 0.201 0.000 2.046 337 L HA -0.232 4.110 4.340 0.004 0.000 0.208 337 L C 2.647 179.715 176.870 0.329 0.000 1.077 337 L CA 1.580 56.559 54.840 0.232 0.000 0.747 337 L CB -0.425 41.711 42.059 0.127 0.000 0.896 337 L HN 0.390 nan 8.230 nan 0.000 0.432 338 H N 0.299 119.517 119.070 0.246 0.000 2.321 338 H HA -0.165 4.393 4.556 0.004 0.000 0.300 338 H C 2.099 177.404 175.328 -0.038 0.000 1.087 338 H CA 1.988 58.009 56.048 -0.045 0.000 1.319 338 H CB 0.073 29.826 29.762 -0.016 0.000 1.379 338 H HN 0.313 nan 8.280 nan 0.000 0.501 339 E N -0.025 120.075 120.200 -0.167 0.000 2.106 339 E HA -0.082 4.270 4.350 0.004 0.000 0.192 339 E C 2.073 178.589 176.600 -0.139 0.000 0.984 339 E CA 1.064 57.337 56.400 -0.212 0.000 0.806 339 E CB 0.064 29.763 29.700 -0.002 0.000 0.750 339 E HN 0.490 nan 8.360 nan 0.000 0.458 340 L N 0.526 121.723 121.223 -0.043 0.000 2.554 340 L HA 0.009 4.351 4.340 0.004 0.000 0.226 340 L C 2.017 178.867 176.870 -0.034 0.000 1.137 340 L CA 0.987 55.812 54.840 -0.025 0.000 0.863 340 L CB -0.093 41.973 42.059 0.013 0.000 0.985 340 L HN 0.242 nan 8.230 nan 0.000 0.451 341 T N -5.709 108.809 114.554 -0.059 0.000 3.043 341 T HA 0.276 4.628 4.350 0.004 0.000 0.272 341 T C 1.671 176.293 174.700 -0.130 0.000 0.990 341 T CA 0.413 62.487 62.100 -0.044 0.000 0.897 341 T CB 0.577 69.482 68.868 0.062 0.000 1.111 341 T HN 0.094 nan 8.240 nan 0.000 0.529 342 A N 2.507 125.186 122.820 -0.236 0.000 1.917 342 A HA -0.110 4.212 4.320 0.004 0.000 0.219 342 A C 1.895 179.393 177.584 -0.143 0.000 1.182 342 A CA 1.801 53.680 52.037 -0.263 0.000 0.633 342 A CB -0.652 18.133 19.000 -0.358 0.000 0.819 342 A HN 0.498 nan 8.150 nan 0.000 0.448 343 D N -0.614 119.722 120.400 -0.107 0.000 2.328 343 D HA 0.149 4.791 4.640 0.004 0.000 0.226 343 D C 1.183 177.458 176.300 -0.042 0.000 1.066 343 D CA 0.233 54.194 54.000 -0.065 0.000 0.861 343 D CB 0.150 40.918 40.800 -0.054 0.000 0.912 343 D HN 0.467 nan 8.370 nan 0.000 0.521 344 L N -0.097 121.103 121.223 -0.040 0.000 2.592 344 L HA 0.058 4.401 4.340 0.004 0.000 0.227 344 L C 0.231 177.098 176.870 -0.005 0.000 1.127 344 L CA -0.102 54.730 54.840 -0.015 0.000 0.884 344 L CB -0.056 42.001 42.059 -0.004 0.000 1.065 344 L HN -0.126 nan 8.230 nan 0.000 0.457 345 D N 1.265 121.655 120.400 -0.017 0.000 2.697 345 D HA -0.190 4.453 4.640 0.004 0.000 0.238 345 D C 0.015 176.324 176.300 0.015 0.000 1.152 345 D CA 0.420 54.418 54.000 -0.004 0.000 0.666 345 D CB -0.874 39.929 40.800 0.005 0.000 1.037 345 D HN 0.139 nan 8.370 nan 0.000 0.423 346 L N 0.143 121.375 121.223 0.014 0.000 2.467 346 L HA 0.117 4.460 4.340 0.004 0.000 0.270 346 L C 1.714 178.611 176.870 0.045 0.000 1.205 346 L CA -0.366 54.496 54.840 0.038 0.000 0.828 346 L CB 0.338 42.440 42.059 0.071 0.000 1.101 346 L HN 0.020 nan 8.230 nan 0.000 0.479 347 D N 0.740 121.173 120.400 0.056 0.000 2.249 347 D HA 0.142 4.784 4.640 0.004 0.000 0.205 347 D C 0.313 176.648 176.300 0.059 0.000 0.962 347 D CA 0.720 54.762 54.000 0.070 0.000 0.860 347 D CB 0.471 41.332 40.800 0.101 0.000 0.955 347 D HN 0.553 nan 8.370 nan 0.000 0.505 348 A N -0.075 122.772 122.820 0.045 0.000 2.547 348 A HA 0.563 4.885 4.320 0.004 0.000 0.297 348 A C -1.873 175.714 177.584 0.004 0.000 1.056 348 A CA -0.630 51.402 52.037 -0.010 0.000 0.688 348 A CB 1.296 20.244 19.000 -0.086 0.000 1.282 348 A HN 0.007 nan 8.150 nan 0.000 0.400 349 F N 2.844 122.676 119.950 -0.196 0.000 2.771 349 F HA 0.553 5.082 4.527 0.003 0.000 0.365 349 F C -1.316 174.346 175.800 -0.230 0.000 1.169 349 F CA -0.431 57.454 58.000 -0.192 0.000 1.093 349 F CB 1.492 40.437 39.000 -0.092 0.000 1.363 349 F HN 0.369 nan 8.300 nan 0.000 0.496 350 V N 6.823 126.377 119.914 -0.600 0.000 2.384 350 V HA 0.468 4.590 4.120 0.004 0.000 0.287 350 V C -0.208 175.645 176.094 -0.402 0.000 1.020 350 V CA -0.670 61.361 62.300 -0.448 0.000 0.850 350 V CB 1.546 32.994 31.823 -0.626 0.000 0.987 350 V HN 0.562 nan 8.190 nan 0.000 0.436 351 L N 4.802 125.928 121.223 -0.163 0.000 2.322 351 L HA 0.597 4.939 4.340 0.004 0.000 0.281 351 L C -1.007 175.965 176.870 0.170 0.000 1.014 351 L CA -0.469 54.330 54.840 -0.067 0.000 0.815 351 L CB 1.779 43.832 42.059 -0.010 0.000 1.247 351 L HN 0.417 nan 8.230 nan 0.000 0.421 352 F N 1.681 121.618 119.950 -0.023 0.000 2.303 352 F HA 0.341 4.870 4.527 0.003 0.000 0.368 352 F C 0.818 176.590 175.800 -0.047 0.000 1.105 352 F CA -0.483 57.509 58.000 -0.014 0.000 1.153 352 F CB 1.014 40.132 39.000 0.196 0.000 1.362 352 F HN 0.436 nan 8.300 nan 0.000 0.511 353 S N 2.126 117.845 115.700 0.033 0.000 2.552 353 S HA 0.715 5.187 4.470 0.004 0.000 0.271 353 S C -0.072 174.484 174.600 -0.072 0.000 1.168 353 S CA -0.199 57.961 58.200 -0.066 0.000 1.026 353 S CB 1.266 64.406 63.200 -0.099 0.000 1.120 353 S HN 0.566 nan 8.310 nan 0.000 0.514 354 S N -1.988 113.615 115.700 -0.162 0.000 2.550 354 S HA 0.548 5.020 4.470 0.004 0.000 0.270 354 S C 0.774 175.166 174.600 -0.347 0.000 1.145 354 S CA -0.033 58.088 58.200 -0.132 0.000 0.852 354 S CB 0.848 63.964 63.200 -0.140 0.000 1.119 354 S HN 0.935 nan 8.310 nan 0.000 0.465 355 G N 1.705 110.198 108.800 -0.512 0.000 2.448 355 G HA2 -0.010 3.952 3.960 0.004 0.000 0.219 355 G HA3 -0.010 3.952 3.960 0.004 0.000 0.219 355 G C 1.521 175.686 174.900 -1.225 0.000 1.127 355 G CA 1.031 45.211 45.100 -1.533 0.000 0.766 355 G HN 1.127 nan 8.290 nan 0.000 0.552 356 A N 0.995 123.546 122.820 -0.449 0.000 1.986 356 A HA 0.180 4.502 4.320 0.004 0.000 0.220 356 A C 2.709 180.162 177.584 -0.220 0.000 1.171 356 A CA 2.306 54.224 52.037 -0.198 0.000 0.640 356 A CB -0.521 18.538 19.000 0.099 0.000 0.811 356 A HN 0.767 nan 8.150 nan 0.000 0.451 357 A N -1.322 121.333 122.820 -0.275 0.000 2.021 357 A HA 0.265 4.588 4.320 0.004 0.000 0.216 357 A C 2.092 179.580 177.584 -0.160 0.000 1.163 357 A CA 1.296 53.230 52.037 -0.172 0.000 0.676 357 A CB -0.308 18.598 19.000 -0.158 0.000 0.818 357 A HN 0.317 nan 8.150 nan 0.000 0.453 358 V N -1.702 118.020 119.914 -0.321 0.000 2.500 358 V HA -0.122 4.001 4.120 0.004 0.000 0.243 358 V C 2.116 178.219 176.094 0.016 0.000 1.039 358 V CA 1.791 63.994 62.300 -0.162 0.000 1.053 358 V CB -0.595 31.103 31.823 -0.210 0.000 0.695 358 V HN 0.992 nan 8.190 nan 0.000 0.463 359 W N -0.014 121.343 121.300 0.095 0.000 2.871 359 W HA 0.665 5.326 4.660 0.002 0.000 0.267 359 W C 0.694 177.418 176.519 0.342 0.000 1.180 359 W CA 0.103 57.546 57.345 0.164 0.000 1.463 359 W CB -0.247 29.206 29.460 -0.011 0.000 0.966 359 W HN 0.270 nan 8.180 nan 0.000 0.605 360 G N 1.041 109.978 108.800 0.228 0.000 2.911 360 G HA2 0.240 4.203 3.960 0.004 0.000 0.686 360 G HA3 0.240 4.203 3.960 0.004 0.000 0.686 360 G C -0.876 174.259 174.900 0.392 0.000 1.136 360 G CA -0.477 44.784 45.100 0.269 0.000 0.764 360 G HN 0.297 nan 8.290 nan 0.000 0.626 361 S N 0.583 116.404 115.700 0.202 0.000 2.733 361 S HA 0.738 5.210 4.470 0.004 0.000 0.294 361 S C 0.683 175.331 174.600 0.081 0.000 1.149 361 S CA -0.035 58.284 58.200 0.198 0.000 1.034 361 S CB 1.768 65.083 63.200 0.190 0.000 1.015 361 S HN 1.835 nan 8.310 nan 0.000 0.486 362 G N 0.770 109.590 108.800 0.033 0.000 2.414 362 G HA2 0.417 4.379 3.960 0.004 0.000 0.236 362 G HA3 0.417 4.379 3.960 0.004 0.000 0.236 362 G C 1.143 176.032 174.900 -0.019 0.000 1.293 362 G CA 0.378 45.456 45.100 -0.037 0.000 0.869 362 G HN 1.602 nan 8.290 nan 0.000 0.556 363 G N 0.773 109.551 108.800 -0.038 0.000 2.176 363 G HA2 -0.247 3.715 3.960 0.004 0.000 0.253 363 G HA3 -0.247 3.715 3.960 0.004 0.000 0.253 363 G C 0.560 175.454 174.900 -0.009 0.000 0.979 363 G CA 0.585 45.669 45.100 -0.028 0.000 0.641 363 G HN 0.833 nan 8.290 nan 0.000 0.530 364 Q N -0.258 119.550 119.800 0.013 0.000 2.333 364 Q HA 0.174 4.516 4.340 0.004 0.000 0.365 364 Q C -1.621 174.419 176.000 0.068 0.000 0.882 364 Q CA -1.103 54.732 55.803 0.054 0.000 1.124 364 Q CB 1.710 30.512 28.738 0.107 0.000 1.345 364 Q HN 0.419 nan 8.270 nan 0.000 0.409 365 P HA -0.168 nan 4.420 nan 0.000 0.216 365 P C 1.300 178.619 177.300 0.031 0.000 1.153 365 P CA 1.535 64.639 63.100 0.006 0.000 0.848 365 P CB 0.187 31.874 31.700 -0.022 0.000 0.787 366 G N -1.252 107.572 108.800 0.040 0.000 2.403 366 G HA2 -0.275 3.687 3.960 0.004 0.000 0.216 366 G HA3 -0.275 3.687 3.960 0.004 0.000 0.216 366 G C 1.622 176.577 174.900 0.092 0.000 1.154 366 G CA 0.340 45.464 45.100 0.040 0.000 0.784 366 G HN 0.199 nan 8.290 nan 0.000 0.538 367 Y N 2.006 122.287 120.300 -0.032 0.000 2.314 367 Y HA 0.163 4.715 4.550 0.004 0.000 0.293 367 Y C 2.794 178.686 175.900 -0.013 0.000 1.129 367 Y CA 0.787 58.872 58.100 -0.025 0.000 1.201 367 Y CB -0.214 38.229 38.460 -0.028 0.000 0.999 367 Y HN 0.238 nan 8.280 nan 0.000 0.541 368 A N 0.427 123.275 122.820 0.047 0.000 1.877 368 A HA -0.112 4.211 4.320 0.004 0.000 0.216 368 A C 2.445 180.008 177.584 -0.035 0.000 1.186 368 A CA 1.900 53.913 52.037 -0.041 0.000 0.620 368 A CB -1.452 17.553 19.000 0.009 0.000 0.822 368 A HN 0.548 nan 8.150 nan 0.000 0.443 369 A N -0.138 122.687 122.820 0.009 0.000 1.902 369 A HA 0.162 4.484 4.320 0.004 0.000 0.217 369 A C 2.525 180.128 177.584 0.032 0.000 1.181 369 A CA 2.147 54.207 52.037 0.039 0.000 0.623 369 A CB -1.076 17.950 19.000 0.042 0.000 0.818 369 A HN 1.071 nan 8.150 nan 0.000 0.443 370 A N 0.309 123.123 122.820 -0.009 0.000 1.883 370 A HA -0.214 4.108 4.320 0.004 0.000 0.217 370 A C 1.961 179.538 177.584 -0.011 0.000 1.186 370 A CA 1.708 53.739 52.037 -0.009 0.000 0.624 370 A CB -0.673 18.310 19.000 -0.028 0.000 0.822 370 A HN 0.613 nan 8.150 nan 0.000 0.444 371 N N 0.127 118.742 118.700 -0.141 0.000 2.270 371 N HA -0.065 4.677 4.740 0.004 0.000 0.181 371 N C 1.884 177.361 175.510 -0.056 0.000 1.016 371 N CA 1.177 54.136 53.050 -0.150 0.000 0.870 371 N CB -0.303 37.976 38.487 -0.346 0.000 0.979 371 N HN 0.489 nan 8.380 nan 0.000 0.431 372 A N 0.590 123.399 122.820 -0.018 0.000 1.972 372 A HA -0.183 4.139 4.320 0.004 0.000 0.219 372 A C 2.020 179.632 177.584 0.047 0.000 1.169 372 A CA 0.824 52.876 52.037 0.026 0.000 0.635 372 A CB -0.820 18.233 19.000 0.088 0.000 0.810 372 A HN 0.415 nan 8.150 nan 0.000 0.446 373 Y N 0.685 120.979 120.300 -0.011 0.000 2.165 373 Y HA -0.200 4.353 4.550 0.005 0.000 0.286 373 Y C 1.905 177.798 175.900 -0.013 0.000 1.155 373 Y CA 1.871 59.965 58.100 -0.010 0.000 1.164 373 Y CB -0.256 38.198 38.460 -0.010 0.000 0.978 373 Y HN 0.240 nan 8.280 nan 0.000 0.513 374 L N -0.193 121.052 121.223 0.036 0.000 2.012 374 L HA -0.263 4.079 4.340 0.004 0.000 0.210 374 L C 2.172 178.984 176.870 -0.096 0.000 1.073 374 L CA 1.710 56.538 54.840 -0.019 0.000 0.748 374 L CB -0.710 41.384 42.059 0.059 0.000 0.891 374 L HN 0.227 nan 8.230 nan 0.000 0.431 375 D N 0.151 120.504 120.400 -0.078 0.000 2.144 375 D HA -0.152 4.490 4.640 0.004 0.000 0.199 375 D C 2.179 178.413 176.300 -0.111 0.000 0.984 375 D CA 1.528 55.483 54.000 -0.074 0.000 0.834 375 D CB 0.066 40.833 40.800 -0.055 0.000 0.955 375 D HN 0.354 nan 8.370 nan 0.000 0.465 376 A N 0.996 123.715 122.820 -0.169 0.000 1.872 376 A HA -0.108 4.214 4.320 0.004 0.000 0.214 376 A C 2.185 179.619 177.584 -0.249 0.000 1.187 376 A CA 0.741 52.655 52.037 -0.206 0.000 0.614 376 A CB -0.738 18.127 19.000 -0.225 0.000 0.826 376 A HN 0.211 nan 8.150 nan 0.000 0.442 377 L N -0.005 120.974 121.223 -0.407 0.000 2.081 377 L HA -0.154 4.188 4.340 0.004 0.000 0.212 377 L C 2.617 179.403 176.870 -0.139 0.000 1.080 377 L CA 2.230 56.867 54.840 -0.338 0.000 0.754 377 L CB -0.652 41.150 42.059 -0.429 0.000 0.893 377 L HN 0.359 nan 8.230 nan 0.000 0.433 378 A N -1.085 121.688 122.820 -0.079 0.000 1.902 378 A HA -0.162 4.160 4.320 0.004 0.000 0.217 378 A C 2.162 179.713 177.584 -0.056 0.000 1.181 378 A CA 1.608 53.633 52.037 -0.019 0.000 0.623 378 A CB -0.508 18.493 19.000 0.002 0.000 0.818 378 A HN 0.541 nan 8.150 nan 0.000 0.443 379 E N -0.874 119.284 120.200 -0.069 0.000 2.106 379 E HA -0.175 4.177 4.350 0.004 0.000 0.192 379 E C 1.884 178.436 176.600 -0.081 0.000 0.984 379 E CA 1.051 57.406 56.400 -0.075 0.000 0.806 379 E CB -0.523 29.127 29.700 -0.083 0.000 0.750 379 E HN 0.864 nan 8.360 nan 0.000 0.458 380 H N 1.355 120.318 119.070 -0.178 0.000 2.353 380 H HA -0.002 4.556 4.556 0.004 0.000 0.300 380 H C 2.023 177.243 175.328 -0.180 0.000 1.090 380 H CA 1.306 57.244 56.048 -0.184 0.000 1.327 380 H CB 0.270 29.895 29.762 -0.228 0.000 1.383 380 H HN 0.015 nan 8.280 nan 0.000 0.508 381 R N -0.041 120.319 120.500 -0.234 0.000 2.096 381 R HA -0.069 4.273 4.340 0.004 0.000 0.235 381 R C 2.580 178.756 176.300 -0.207 0.000 1.127 381 R CA 0.772 56.714 56.100 -0.262 0.000 0.968 381 R CB 0.055 30.223 30.300 -0.220 0.000 0.861 381 R HN 0.265 nan 8.270 nan 0.000 0.440 382 R N 0.324 120.731 120.500 -0.155 0.000 2.120 382 R HA -0.081 4.261 4.340 0.004 0.000 0.234 382 R C 2.329 178.542 176.300 -0.145 0.000 1.123 382 R CA 1.720 57.748 56.100 -0.120 0.000 0.975 382 R CB -0.562 29.685 30.300 -0.088 0.000 0.866 382 R HN 0.308 nan 8.270 nan 0.000 0.446 383 S N 0.497 116.079 115.700 -0.197 0.000 2.453 383 S HA -0.005 4.467 4.470 0.004 0.000 0.231 383 S C 1.936 176.416 174.600 -0.200 0.000 1.005 383 S CA 0.534 58.619 58.200 -0.192 0.000 0.949 383 S CB -0.281 62.792 63.200 -0.211 0.000 0.774 383 S HN 0.247 nan 8.310 nan 0.000 0.510 384 L N 1.021 122.096 121.223 -0.248 0.000 2.599 384 L HA 0.319 4.661 4.340 0.004 0.000 0.230 384 L C 1.811 178.609 176.870 -0.120 0.000 1.141 384 L CA 0.343 55.075 54.840 -0.181 0.000 0.877 384 L CB -0.811 41.133 42.059 -0.192 0.000 1.009 384 L HN 0.591 nan 8.230 nan 0.000 0.447 385 G N 0.500 109.234 108.800 -0.110 0.000 2.136 385 G HA2 -0.255 3.707 3.960 0.004 0.000 0.242 385 G HA3 -0.255 3.707 3.960 0.004 0.000 0.242 385 G C 0.005 174.861 174.900 -0.074 0.000 0.989 385 G CA -0.160 44.892 45.100 -0.079 0.000 0.682 385 G HN 0.232 nan 8.290 nan 0.000 0.522 386 L N 0.277 121.445 121.223 -0.093 0.000 2.334 386 L HA 0.669 5.011 4.340 0.004 0.000 0.272 386 L C 1.040 177.861 176.870 -0.083 0.000 1.020 386 L CA -0.770 54.014 54.840 -0.093 0.000 0.812 386 L CB 1.860 43.844 42.059 -0.126 0.000 1.264 386 L HN 0.154 nan 8.230 nan 0.000 0.439 387 T N 1.396 115.916 114.554 -0.057 0.000 2.918 387 T HA 0.620 4.972 4.350 0.004 0.000 0.302 387 T C -0.414 174.290 174.700 0.006 0.000 1.045 387 T CA -0.136 61.954 62.100 -0.015 0.000 1.114 387 T CB 0.522 69.400 68.868 0.016 0.000 0.965 387 T HN 0.759 nan 8.240 nan 0.000 0.540 388 A N 2.926 125.770 122.820 0.040 0.000 2.582 388 A HA 0.602 4.924 4.320 0.004 0.000 0.297 388 A C -0.887 176.737 177.584 0.067 0.000 1.059 388 A CA -0.764 51.348 52.037 0.125 0.000 0.705 388 A CB 1.412 20.477 19.000 0.108 0.000 1.279 388 A HN 0.720 nan 8.150 nan 0.000 0.404 389 S N 0.588 116.322 115.700 0.057 0.000 2.614 389 S HA 0.645 5.117 4.470 0.004 0.000 0.288 389 S C -0.599 174.000 174.600 -0.001 0.000 1.137 389 S CA -0.385 57.821 58.200 0.009 0.000 0.992 389 S CB 1.713 64.909 63.200 -0.005 0.000 1.026 389 S HN 1.036 nan 8.310 nan 0.000 0.486 390 S N 2.367 118.059 115.700 -0.013 0.000 2.438 390 S HA 0.539 5.011 4.470 0.004 0.000 0.316 390 S C -0.623 173.926 174.600 -0.085 0.000 1.084 390 S CA -0.480 57.702 58.200 -0.030 0.000 1.107 390 S CB 0.756 63.937 63.200 -0.032 0.000 0.981 390 S HN 0.614 nan 8.310 nan 0.000 0.466 391 V N 5.943 125.762 119.914 -0.158 0.000 2.334 391 V HA 0.777 4.900 4.120 0.004 0.000 0.281 391 V C 0.048 175.818 176.094 -0.540 0.000 1.016 391 V CA -0.634 61.414 62.300 -0.419 0.000 0.832 391 V CB 0.731 32.132 31.823 -0.704 0.000 0.999 391 V HN 0.981 nan 8.190 nan 0.000 0.439 392 A N 7.826 130.432 122.820 -0.356 0.000 2.506 392 A HA 0.516 4.839 4.320 0.004 0.000 0.320 392 A C -0.388 177.108 177.584 -0.148 0.000 1.424 392 A CA -0.596 51.290 52.037 -0.251 0.000 1.044 392 A CB -0.178 18.709 19.000 -0.187 0.000 1.140 392 A HN 0.920 nan 8.150 nan 0.000 0.538 393 W N 1.940 123.251 121.300 0.019 0.000 2.150 393 W HA 0.414 5.077 4.660 0.006 0.000 0.341 393 W C 1.289 177.880 176.519 0.120 0.000 1.276 393 W CA 0.280 57.692 57.345 0.111 0.000 1.238 393 W CB 0.813 30.382 29.460 0.181 0.000 1.128 393 W HN 0.799 nan 8.180 nan 0.000 0.581 394 G N 0.881 109.965 108.800 0.473 0.000 2.751 394 G HA2 0.156 4.118 3.960 0.004 0.000 0.187 394 G HA3 0.156 4.118 3.960 0.004 0.000 0.187 394 G C -0.504 174.592 174.900 0.326 0.000 1.733 394 G CA 0.340 45.668 45.100 0.380 0.000 0.898 394 G HN 0.365 nan 8.290 nan 0.000 0.408 395 T N 0.135 114.834 114.554 0.241 0.000 2.841 395 T HA 0.388 4.740 4.350 0.004 0.000 0.285 395 T C -1.608 173.209 174.700 0.195 0.000 0.991 395 T CA -0.280 61.940 62.100 0.199 0.000 0.966 395 T CB 1.735 70.651 68.868 0.081 0.000 0.962 395 T HN 0.272 nan 8.240 nan 0.000 0.438 396 W N 2.177 123.442 121.300 -0.057 0.000 2.365 396 W HA 0.601 5.263 4.660 0.003 0.000 0.316 396 W C 0.923 177.414 176.519 -0.047 0.000 1.164 396 W CA -0.151 57.129 57.345 -0.110 0.000 1.204 396 W CB 0.756 30.083 29.460 -0.221 0.000 1.213 396 W HN 0.865 nan 8.180 nan 0.000 0.539 397 G N 1.251 110.101 108.800 0.083 0.000 2.580 397 G HA2 0.363 4.325 3.960 0.004 0.000 0.278 397 G HA3 0.363 4.325 3.960 0.004 0.000 0.278 397 G C 0.137 175.100 174.900 0.104 0.000 1.212 397 G CA 0.190 45.343 45.100 0.088 0.000 0.939 397 G HN 0.715 nan 8.290 nan 0.000 0.513 398 E N -2.908 117.331 120.200 0.065 0.000 4.908 398 E HA -0.290 4.062 4.350 0.004 0.000 0.164 398 E C 0.598 177.231 176.600 0.055 0.000 1.196 398 E CA 1.874 58.299 56.400 0.041 0.000 2.347 398 E CB -1.507 28.204 29.700 0.019 0.000 1.786 398 E HN 0.955 nan 8.360 nan 0.000 0.456 399 V N -3.041 116.933 119.914 0.101 0.000 2.962 399 V HA 0.872 4.994 4.120 0.004 0.000 0.313 399 V C 0.392 176.497 176.094 0.019 0.000 1.099 399 V CA 0.200 62.531 62.300 0.051 0.000 0.971 399 V CB 1.734 33.586 31.823 0.049 0.000 1.028 399 V HN 0.946 nan 8.190 nan 0.000 0.430 400 G N 3.141 111.916 108.800 -0.041 0.000 2.587 400 G HA2 -0.129 3.833 3.960 0.004 0.000 0.212 400 G HA3 -0.129 3.833 3.960 0.004 0.000 0.212 400 G C 0.251 175.126 174.900 -0.042 0.000 1.327 400 G CA 0.427 45.471 45.100 -0.093 0.000 0.898 400 G HN 2.000 nan 8.290 nan 0.000 0.551 401 M N -0.924 118.646 119.600 -0.049 0.000 2.394 401 M HA 0.464 4.946 4.480 0.004 0.000 0.264 401 M C 2.079 178.385 176.300 0.009 0.000 1.073 401 M CA 2.364 57.653 55.300 -0.019 0.000 1.111 401 M CB 0.014 32.602 32.600 -0.019 0.000 1.401 401 M HN 1.399 nan 8.290 nan 0.000 0.448 402 A N 1.145 123.989 122.820 0.040 0.000 2.370 402 A HA 0.162 4.484 4.320 0.004 0.000 0.238 402 A C 1.898 179.554 177.584 0.120 0.000 1.289 402 A CA 0.576 52.663 52.037 0.083 0.000 0.885 402 A CB -0.956 18.107 19.000 0.106 0.000 0.961 402 A HN 0.640 nan 8.150 nan 0.000 0.499 403 T N -3.248 111.349 114.554 0.071 0.000 3.081 403 T HA 0.028 4.380 4.350 0.004 0.000 0.255 403 T C 0.366 175.077 174.700 0.018 0.000 1.113 403 T CA 0.203 62.333 62.100 0.050 0.000 1.082 403 T CB -0.348 68.531 68.868 0.019 0.000 0.939 403 T HN 0.220 nan 8.240 nan 0.000 0.506 404 D N 3.166 123.581 120.400 0.026 0.000 2.450 404 D HA 0.165 4.808 4.640 0.004 0.000 0.247 404 D C -1.505 174.816 176.300 0.035 0.000 1.162 404 D CA -2.082 51.926 54.000 0.013 0.000 0.879 404 D CB 1.563 42.368 40.800 0.008 0.000 1.163 404 D HN 0.058 nan 8.370 nan 0.000 0.472 405 P HA -0.163 nan 4.420 nan 0.000 0.217 405 P C 1.066 178.403 177.300 0.062 0.000 1.148 405 P CA 1.003 64.104 63.100 0.003 0.000 0.828 405 P CB 0.310 31.991 31.700 -0.032 0.000 0.783 406 E N -0.451 119.771 120.200 0.038 0.000 2.017 406 E HA -0.158 4.194 4.350 0.004 0.000 0.193 406 E C 1.920 178.549 176.600 0.048 0.000 0.997 406 E CA 1.259 57.679 56.400 0.034 0.000 0.804 406 E CB -0.811 28.896 29.700 0.012 0.000 0.757 406 E HN -0.126 nan 8.360 nan 0.000 0.448 407 V N 0.445 120.387 119.914 0.047 0.000 2.343 407 V HA -0.264 3.858 4.120 0.004 0.000 0.247 407 V C 2.313 178.452 176.094 0.075 0.000 1.051 407 V CA 2.465 64.791 62.300 0.044 0.000 1.036 407 V CB -0.609 31.230 31.823 0.026 0.000 0.654 407 V HN 0.495 nan 8.190 nan 0.000 0.451 408 H N -0.248 118.828 119.070 0.011 0.000 2.353 408 H HA -0.173 4.385 4.556 0.004 0.000 0.300 408 H C 1.994 177.332 175.328 0.018 0.000 1.090 408 H CA 2.302 58.361 56.048 0.019 0.000 1.327 408 H CB -0.001 29.769 29.762 0.013 0.000 1.383 408 H HN 0.464 nan 8.280 nan 0.000 0.508 409 D N -0.415 120.094 120.400 0.182 0.000 2.123 409 D HA -0.127 4.515 4.640 0.004 0.000 0.200 409 D C 2.412 178.724 176.300 0.020 0.000 0.976 409 D CA 1.584 55.663 54.000 0.132 0.000 0.831 409 D CB -0.076 40.798 40.800 0.123 0.000 0.974 409 D HN 0.570 nan 8.370 nan 0.000 0.469 410 R N 0.710 121.220 120.500 0.017 0.000 2.090 410 R HA -0.019 4.324 4.340 0.004 0.000 0.228 410 R C 1.962 178.259 176.300 -0.005 0.000 1.110 410 R CA 0.818 56.921 56.100 0.005 0.000 0.973 410 R CB -0.644 29.662 30.300 0.011 0.000 0.869 410 R HN 0.201 nan 8.270 nan 0.000 0.440 411 L N 1.130 122.341 121.223 -0.020 0.000 2.005 411 L HA -0.079 4.263 4.340 0.004 0.000 0.207 411 L C 2.602 179.443 176.870 -0.048 0.000 1.072 411 L CA 0.979 55.816 54.840 -0.005 0.000 0.744 411 L CB -0.619 41.441 42.059 0.001 0.000 0.895 411 L HN 0.020 nan 8.230 nan 0.000 0.433 412 V N 0.034 119.857 119.914 -0.153 0.000 2.392 412 V HA -0.285 3.838 4.120 0.004 0.000 0.249 412 V C 2.622 178.673 176.094 -0.072 0.000 1.059 412 V CA 1.689 63.894 62.300 -0.158 0.000 1.051 412 V CB -0.727 30.912 31.823 -0.306 0.000 0.658 412 V HN 0.416 nan 8.190 nan 0.000 0.455 413 R N -0.670 119.802 120.500 -0.047 0.000 2.189 413 R HA -0.108 4.234 4.340 0.004 0.000 0.218 413 R C 2.223 178.509 176.300 -0.024 0.000 1.074 413 R CA 0.983 57.069 56.100 -0.023 0.000 0.991 413 R CB -0.022 30.270 30.300 -0.012 0.000 0.883 413 R HN 0.567 nan 8.270 nan 0.000 0.457 414 Q N -1.148 118.641 119.800 -0.018 0.000 2.360 414 Q HA 0.046 4.388 4.340 0.004 0.000 0.202 414 Q C 0.364 176.378 176.000 0.023 0.000 0.915 414 Q CA 0.599 56.389 55.803 -0.021 0.000 0.943 414 Q CB 0.820 29.570 28.738 0.019 0.000 1.064 414 Q HN 0.477 nan 8.270 nan 0.000 0.511 415 G N 0.089 108.889 108.800 -0.000 0.000 2.141 415 G HA2 -0.203 3.760 3.960 0.004 0.000 0.231 415 G HA3 -0.203 3.760 3.960 0.004 0.000 0.231 415 G C -0.130 174.696 174.900 -0.122 0.000 0.984 415 G CA 0.194 45.268 45.100 -0.043 0.000 0.660 415 G HN 0.208 nan 8.290 nan 0.000 0.525 416 V N 2.787 122.669 119.914 -0.054 0.000 2.284 416 V HA 0.450 4.572 4.120 0.004 0.000 0.260 416 V C 1.069 177.117 176.094 -0.077 0.000 1.084 416 V CA -0.428 61.817 62.300 -0.091 0.000 0.894 416 V CB 0.628 32.503 31.823 0.087 0.000 1.119 416 V HN 0.352 nan 8.190 nan 0.000 0.484 417 L N 2.991 124.147 121.223 -0.112 0.000 2.439 417 L HA 0.601 4.944 4.340 0.004 0.000 0.261 417 L C 0.979 177.813 176.870 -0.060 0.000 1.153 417 L CA -0.395 54.390 54.840 -0.091 0.000 0.808 417 L CB 0.733 42.745 42.059 -0.080 0.000 1.126 417 L HN 0.586 nan 8.230 nan 0.000 0.460 418 A N 3.223 126.011 122.820 -0.053 0.000 2.451 418 A HA 0.428 4.750 4.320 0.004 0.000 0.266 418 A C 0.003 177.560 177.584 -0.044 0.000 1.119 418 A CA -0.295 51.732 52.037 -0.017 0.000 0.786 418 A CB -0.014 19.024 19.000 0.064 0.000 1.061 418 A HN 0.688 nan 8.150 nan 0.000 0.503 419 M N 2.099 121.635 119.600 -0.107 0.000 2.250 419 M HA 0.169 4.651 4.480 0.004 0.000 0.344 419 M C 0.337 176.459 176.300 -0.297 0.000 1.150 419 M CA 0.216 55.398 55.300 -0.196 0.000 1.147 419 M CB 0.762 33.169 32.600 -0.321 0.000 1.498 419 M HN 0.687 nan 8.290 nan 0.000 0.461 420 E N 2.943 122.957 120.200 -0.311 0.000 2.360 420 E HA 0.045 4.397 4.350 0.004 0.000 0.269 420 E C -1.736 174.553 176.600 -0.519 0.000 1.022 420 E CA -1.575 54.579 56.400 -0.410 0.000 0.887 420 E CB 0.657 29.995 29.700 -0.603 0.000 0.990 420 E HN 0.362 nan 8.360 nan 0.000 0.426 421 P HA -0.231 nan 4.420 nan 0.000 0.216 421 P C 0.862 177.916 177.300 -0.410 0.000 1.154 421 P CA 1.270 63.997 63.100 -0.621 0.000 0.865 421 P CB 0.291 31.877 31.700 -0.191 0.000 0.789 422 E N -1.697 118.359 120.200 -0.240 0.000 2.150 422 E HA -0.183 4.169 4.350 0.004 0.000 0.193 422 E C 1.940 178.561 176.600 0.035 0.000 0.985 422 E CA 1.206 57.560 56.400 -0.078 0.000 0.814 422 E CB -0.761 28.917 29.700 -0.038 0.000 0.752 422 E HN 0.467 nan 8.360 nan 0.000 0.466 423 H N 0.367 119.351 119.070 -0.144 0.000 2.363 423 H HA 0.130 4.688 4.556 0.004 0.000 0.301 423 H C 2.002 177.280 175.328 -0.084 0.000 1.074 423 H CA 1.106 57.105 56.048 -0.082 0.000 1.354 423 H CB -0.597 29.134 29.762 -0.051 0.000 1.397 423 H HN 0.177 nan 8.280 nan 0.000 0.516 424 A N 1.009 123.750 122.820 -0.132 0.000 1.902 424 A HA -0.094 4.229 4.320 0.004 0.000 0.217 424 A C 2.497 180.166 177.584 0.141 0.000 1.181 424 A CA 1.278 53.237 52.037 -0.130 0.000 0.623 424 A CB -0.851 17.605 19.000 -0.907 0.000 0.818 424 A HN 0.314 nan 8.150 nan 0.000 0.443 425 L N -0.925 120.319 121.223 0.034 0.000 2.156 425 L HA -0.029 4.313 4.340 0.004 0.000 0.208 425 L C 2.749 179.733 176.870 0.190 0.000 1.095 425 L CA 0.805 55.772 54.840 0.211 0.000 0.770 425 L CB -0.692 41.460 42.059 0.154 0.000 0.914 425 L HN 0.472 nan 8.230 nan 0.000 0.439 426 G N -0.179 108.701 108.800 0.133 0.000 2.408 426 G HA2 -0.187 3.776 3.960 0.004 0.000 0.217 426 G HA3 -0.187 3.776 3.960 0.004 0.000 0.217 426 G C 1.794 176.767 174.900 0.123 0.000 1.150 426 G CA 0.741 45.911 45.100 0.116 0.000 0.776 426 G HN 0.430 nan 8.290 nan 0.000 0.542 427 A N 0.467 123.371 122.820 0.140 0.000 1.930 427 A HA 0.088 4.410 4.320 0.004 0.000 0.217 427 A C 2.316 179.994 177.584 0.156 0.000 1.175 427 A CA 1.580 53.697 52.037 0.134 0.000 0.627 427 A CB -0.402 18.684 19.000 0.144 0.000 0.815 427 A HN 0.423 nan 8.150 nan 0.000 0.443 428 L N 0.173 121.540 121.223 0.239 0.000 2.046 428 L HA -0.163 4.179 4.340 0.004 0.000 0.208 428 L C 1.545 178.537 176.870 0.204 0.000 1.077 428 L CA 2.463 57.442 54.840 0.232 0.000 0.747 428 L CB -0.721 41.584 42.059 0.410 0.000 0.896 428 L HN 0.316 nan 8.230 nan 0.000 0.432 429 D N -0.781 119.738 120.400 0.198 0.000 2.144 429 D HA -0.199 4.444 4.640 0.004 0.000 0.199 429 D C 2.193 178.566 176.300 0.122 0.000 0.984 429 D CA 1.147 55.245 54.000 0.163 0.000 0.834 429 D CB -0.057 40.825 40.800 0.137 0.000 0.955 429 D HN 0.542 nan 8.370 nan 0.000 0.465 430 Q N -0.166 119.696 119.800 0.102 0.000 2.061 430 Q HA -0.152 4.190 4.340 0.004 0.000 0.204 430 Q C 2.243 178.288 176.000 0.075 0.000 0.984 430 Q CA 1.003 56.852 55.803 0.076 0.000 0.846 430 Q CB -0.156 28.619 28.738 0.061 0.000 0.902 430 Q HN 0.322 nan 8.270 nan 0.000 0.421 431 M N 0.522 120.171 119.600 0.082 0.000 2.086 431 M HA -0.191 4.292 4.480 0.004 0.000 0.261 431 M C 1.904 178.249 176.300 0.074 0.000 1.067 431 M CA 1.499 56.841 55.300 0.070 0.000 1.116 431 M CB 0.007 32.641 32.600 0.057 0.000 1.348 431 M HN 0.224 nan 8.290 nan 0.000 0.407 432 L N -0.311 120.973 121.223 0.101 0.000 2.093 432 L HA -0.184 4.159 4.340 0.004 0.000 0.208 432 L C 2.420 179.343 176.870 0.088 0.000 1.085 432 L CA 0.923 55.827 54.840 0.106 0.000 0.755 432 L CB -0.813 41.343 42.059 0.162 0.000 0.904 432 L HN 0.291 nan 8.230 nan 0.000 0.435 433 E N 0.257 120.508 120.200 0.085 0.000 2.150 433 E HA -0.153 4.199 4.350 0.004 0.000 0.193 433 E C 1.659 178.291 176.600 0.053 0.000 0.985 433 E CA 0.931 57.372 56.400 0.068 0.000 0.814 433 E CB -0.250 29.489 29.700 0.065 0.000 0.752 433 E HN 0.494 nan 8.360 nan 0.000 0.466 434 N N 1.032 119.763 118.700 0.051 0.000 2.494 434 N HA -0.093 4.649 4.740 0.004 0.000 0.182 434 N C -0.196 175.334 175.510 0.034 0.000 1.076 434 N CA 0.605 53.679 53.050 0.040 0.000 0.908 434 N CB 0.043 38.554 38.487 0.041 0.000 0.967 434 N HN 0.013 nan 8.380 nan 0.000 0.449 435 D N 0.505 120.929 120.400 0.040 0.000 2.689 435 D HA -0.181 4.461 4.640 0.004 0.000 0.237 435 D C -1.344 174.968 176.300 0.019 0.000 1.148 435 D CA 0.492 54.511 54.000 0.031 0.000 0.656 435 D CB -0.958 39.858 40.800 0.026 0.000 1.050 435 D HN 0.208 nan 8.370 nan 0.000 0.426 436 D N -0.759 119.654 120.400 0.023 0.000 2.372 436 D HA 0.116 4.758 4.640 0.004 0.000 0.243 436 D C 1.387 177.689 176.300 0.003 0.000 1.121 436 D CA 0.160 54.166 54.000 0.011 0.000 0.898 436 D CB 1.081 41.898 40.800 0.028 0.000 1.202 436 D HN 0.114 nan 8.370 nan 0.000 0.428 437 T N 0.215 114.762 114.554 -0.012 0.000 2.937 437 T HA 0.195 4.547 4.350 0.004 0.000 0.260 437 T C 0.546 175.240 174.700 -0.011 0.000 1.051 437 T CA 0.607 62.699 62.100 -0.014 0.000 1.141 437 T CB 0.291 69.141 68.868 -0.029 0.000 0.879 437 T HN 0.548 nan 8.240 nan 0.000 0.459 438 A N 0.162 122.978 122.820 -0.007 0.000 2.488 438 A HA 0.843 5.166 4.320 0.004 0.000 0.298 438 A C -1.209 176.395 177.584 0.033 0.000 1.044 438 A CA -0.482 51.555 52.037 0.001 0.000 0.693 438 A CB 1.429 20.430 19.000 0.003 0.000 1.272 438 A HN 0.433 nan 8.150 nan 0.000 0.402 439 A N 0.483 123.314 122.820 0.019 0.000 2.606 439 A HA 0.924 5.246 4.320 0.004 0.000 0.293 439 A C -0.396 177.205 177.584 0.029 0.000 1.082 439 A CA 0.017 52.094 52.037 0.067 0.000 0.685 439 A CB 1.056 20.089 19.000 0.055 0.000 1.284 439 A HN 2.507 nan 8.150 nan 0.000 0.408 440 A N 0.905 123.794 122.820 0.116 0.000 2.290 440 A HA 0.731 5.054 4.320 0.004 0.000 0.310 440 A C -0.570 177.133 177.584 0.198 0.000 1.202 440 A CA -0.309 51.811 52.037 0.138 0.000 0.837 440 A CB 0.068 19.220 19.000 0.254 0.000 1.139 440 A HN 0.725 nan 8.150 nan 0.000 0.509 441 I N 2.394 123.058 120.570 0.157 0.000 2.390 441 I HA 0.435 4.607 4.170 0.004 0.000 0.283 441 I C -0.045 176.278 176.117 0.344 0.000 1.016 441 I CA -0.009 61.443 61.300 0.252 0.000 1.151 441 I CB 1.642 39.764 38.000 0.203 0.000 1.293 441 I HN 0.634 nan 8.210 nan 0.000 0.458 442 T N 6.510 121.251 114.554 0.311 0.000 3.097 442 T HA 0.389 4.741 4.350 0.004 0.000 0.332 442 T C -1.547 173.236 174.700 0.138 0.000 1.269 442 T CA -0.450 61.780 62.100 0.218 0.000 1.076 442 T CB 1.519 70.514 68.868 0.211 0.000 1.209 442 T HN 0.313 nan 8.240 nan 0.000 0.474 443 L N 6.264 127.511 121.223 0.040 0.000 2.261 443 L HA 0.657 4.999 4.340 0.004 0.000 0.289 443 L C -0.634 176.124 176.870 -0.185 0.000 1.059 443 L CA -0.108 54.718 54.840 -0.022 0.000 0.816 443 L CB 0.478 42.533 42.059 -0.006 0.000 1.191 443 L HN 0.631 nan 8.230 nan 0.000 0.431 444 M N 3.665 123.072 119.600 -0.323 0.000 2.404 444 M HA 0.312 4.794 4.480 0.004 0.000 0.338 444 M C -0.686 175.300 176.300 -0.523 0.000 1.150 444 M CA -0.542 54.319 55.300 -0.732 0.000 1.016 444 M CB 1.435 33.032 32.600 -1.671 0.000 1.672 444 M HN 0.475 nan 8.290 nan 0.000 0.448 445 D N 1.567 121.706 120.400 -0.435 0.000 2.443 445 D HA 0.188 4.831 4.640 0.004 0.000 0.221 445 D C 0.236 176.398 176.300 -0.229 0.000 1.097 445 D CA -0.170 53.693 54.000 -0.228 0.000 0.865 445 D CB 0.419 41.157 40.800 -0.103 0.000 1.034 445 D HN 0.514 nan 8.370 nan 0.000 0.511 446 W N 2.113 123.392 121.300 -0.034 0.000 2.425 446 W HA -0.032 4.632 4.660 0.006 0.000 0.277 446 W C 1.963 178.498 176.519 0.026 0.000 1.231 446 W CA -0.148 57.184 57.345 -0.022 0.000 1.248 446 W CB 0.368 29.800 29.460 -0.046 0.000 1.117 446 W HN 0.403 nan 8.180 nan 0.000 0.568 447 E N -0.249 120.073 120.200 0.203 0.000 2.150 447 E HA -0.187 4.165 4.350 0.004 0.000 0.193 447 E C 1.983 178.639 176.600 0.094 0.000 0.985 447 E CA 1.132 57.611 56.400 0.132 0.000 0.814 447 E CB -0.465 29.286 29.700 0.086 0.000 0.752 447 E HN 0.425 nan 8.360 nan 0.000 0.466 448 M N -0.845 118.794 119.600 0.065 0.000 2.248 448 M HA -0.038 4.444 4.480 0.004 0.000 0.265 448 M C 2.010 178.335 176.300 0.042 0.000 1.079 448 M CA 0.836 56.156 55.300 0.033 0.000 1.150 448 M CB 0.009 32.611 32.600 0.003 0.000 1.366 448 M HN 0.028 nan 8.290 nan 0.000 0.433 449 F N 0.512 120.400 119.950 -0.103 0.000 2.128 449 F HA -0.047 4.483 4.527 0.004 0.000 0.295 449 F C 2.244 178.053 175.800 0.016 0.000 1.100 449 F CA 1.562 59.477 58.000 -0.140 0.000 1.260 449 F CB -0.362 38.358 39.000 -0.465 0.000 1.009 449 F HN 0.117 nan 8.300 nan 0.000 0.476 450 A N 0.730 123.764 122.820 0.356 0.000 1.883 450 A HA -0.144 4.178 4.320 0.004 0.000 0.217 450 A C -0.293 177.370 177.584 0.133 0.000 1.186 450 A CA 2.054 54.266 52.037 0.292 0.000 0.624 450 A CB -2.162 17.019 19.000 0.301 0.000 0.822 450 A HN 0.364 nan 8.150 nan 0.000 0.444 451 P HA -0.030 nan 4.420 nan 0.000 0.219 451 P C 1.691 178.986 177.300 -0.007 0.000 1.150 451 P CA 1.691 64.814 63.100 0.038 0.000 0.814 451 P CB -0.059 31.659 31.700 0.030 0.000 0.787 452 A N -1.068 121.721 122.820 -0.052 0.000 1.873 452 A HA -0.172 4.150 4.320 0.004 0.000 0.215 452 A C 2.068 179.583 177.584 -0.115 0.000 1.186 452 A CA 1.226 53.203 52.037 -0.100 0.000 0.616 452 A CB -1.814 17.101 19.000 -0.141 0.000 0.823 452 A HN 0.155 nan 8.150 nan 0.000 0.442 453 F N 1.652 121.385 119.950 -0.362 0.000 2.293 453 F HA -0.078 4.451 4.527 0.003 0.000 0.300 453 F C 2.079 177.795 175.800 -0.141 0.000 1.086 453 F CA 1.943 59.733 58.000 -0.349 0.000 1.375 453 F CB 0.094 38.741 39.000 -0.589 0.000 1.045 453 F HN 0.277 nan 8.300 nan 0.000 0.516 454 T N -2.713 111.858 114.554 0.029 0.000 3.176 454 T HA 0.460 4.812 4.350 0.004 0.000 0.263 454 T C 1.665 176.347 174.700 -0.030 0.000 1.021 454 T CA 0.202 62.307 62.100 0.008 0.000 0.905 454 T CB -0.039 68.890 68.868 0.102 0.000 1.057 454 T HN 0.151 nan 8.240 nan 0.000 0.558 455 A N 2.704 125.487 122.820 -0.061 0.000 1.972 455 A HA -0.071 4.251 4.320 0.004 0.000 0.219 455 A C 2.252 179.807 177.584 -0.049 0.000 1.169 455 A CA 1.308 53.316 52.037 -0.048 0.000 0.635 455 A CB -0.376 18.588 19.000 -0.060 0.000 0.810 455 A HN 0.547 nan 8.150 nan 0.000 0.446 456 N N -1.869 116.788 118.700 -0.072 0.000 2.348 456 N HA 0.115 4.858 4.740 0.004 0.000 0.183 456 N C 0.495 175.978 175.510 -0.046 0.000 1.094 456 N CA 0.302 53.315 53.050 -0.061 0.000 0.885 456 N CB 0.506 38.944 38.487 -0.082 0.000 1.065 456 N HN 0.557 nan 8.380 nan 0.000 0.472 457 R N 0.915 121.384 120.500 -0.052 0.000 2.561 457 R HA 0.280 4.623 4.340 0.004 0.000 0.266 457 R C -2.970 173.325 176.300 -0.008 0.000 1.091 457 R CA -1.143 54.940 56.100 -0.028 0.000 0.927 457 R CB 2.185 32.458 30.300 -0.046 0.000 1.240 457 R HN -0.156 nan 8.270 nan 0.000 0.449 458 P HA 0.046 nan 4.420 nan 0.000 0.272 458 P C -1.004 176.349 177.300 0.089 0.000 1.230 458 P CA -0.269 62.865 63.100 0.057 0.000 0.788 458 P CB 1.317 33.051 31.700 0.056 0.000 0.949 459 S N 0.387 116.173 115.700 0.142 0.000 2.667 459 S HA 0.479 4.951 4.470 0.004 0.000 0.304 459 S C 1.068 175.758 174.600 0.150 0.000 1.135 459 S CA -0.346 57.979 58.200 0.208 0.000 1.125 459 S CB -0.045 63.402 63.200 0.412 0.000 0.996 459 S HN 0.452 nan 8.310 nan 0.000 0.474 460 A N 4.682 127.575 122.820 0.122 0.000 2.067 460 A HA 0.028 4.351 4.320 0.004 0.000 0.219 460 A C 1.867 179.488 177.584 0.061 0.000 1.158 460 A CA 1.041 53.128 52.037 0.083 0.000 0.661 460 A CB -0.551 18.501 19.000 0.087 0.000 0.801 460 A HN 0.848 nan 8.150 nan 0.000 0.452 461 L N -0.340 120.938 121.223 0.092 0.000 2.081 461 L HA -0.127 4.215 4.340 0.004 0.000 0.212 461 L C 1.885 178.751 176.870 -0.007 0.000 1.080 461 L CA 1.816 56.686 54.840 0.051 0.000 0.754 461 L CB -0.251 41.890 42.059 0.137 0.000 0.893 461 L HN 0.419 nan 8.230 nan 0.000 0.433 462 L N -0.936 120.293 121.223 0.011 0.000 2.591 462 L HA 0.067 4.409 4.340 0.004 0.000 0.228 462 L C 2.274 179.062 176.870 -0.137 0.000 1.133 462 L CA 0.659 55.433 54.840 -0.109 0.000 0.880 462 L CB -0.620 41.398 42.059 -0.069 0.000 1.033 462 L HN 0.394 nan 8.230 nan 0.000 0.450 463 S N -1.133 114.528 115.700 -0.064 0.000 2.500 463 S HA -0.122 4.351 4.470 0.004 0.000 0.239 463 S C 1.630 176.181 174.600 -0.082 0.000 0.989 463 S CA 1.212 59.378 58.200 -0.057 0.000 0.951 463 S CB -0.674 62.518 63.200 -0.013 0.000 0.759 463 S HN 0.533 nan 8.310 nan 0.000 0.523 464 T N -0.874 113.616 114.554 -0.107 0.000 3.105 464 T HA 0.407 4.759 4.350 0.004 0.000 0.253 464 T C 0.130 174.736 174.700 -0.156 0.000 1.047 464 T CA -0.383 61.657 62.100 -0.101 0.000 0.944 464 T CB 0.039 68.866 68.868 -0.069 0.000 1.016 464 T HN 0.171 nan 8.240 nan 0.000 0.544 465 V N 3.462 123.211 119.914 -0.275 0.000 2.311 465 V HA 0.294 4.416 4.120 0.004 0.000 0.275 465 V C -1.660 174.229 176.094 -0.342 0.000 1.022 465 V CA -1.818 60.227 62.300 -0.425 0.000 0.830 465 V CB 1.580 32.827 31.823 -0.961 0.000 1.012 465 V HN 0.066 nan 8.190 nan 0.000 0.452 466 P HA -0.083 nan 4.420 nan 0.000 0.218 466 P C 1.242 178.454 177.300 -0.147 0.000 1.149 466 P CA 0.902 63.927 63.100 -0.126 0.000 0.817 466 P CB 0.451 32.108 31.700 -0.071 0.000 0.785 467 E N -0.285 119.793 120.200 -0.203 0.000 2.153 467 E HA -0.125 4.228 4.350 0.004 0.000 0.194 467 E C 2.070 178.591 176.600 -0.132 0.000 0.988 467 E CA 1.431 57.749 56.400 -0.138 0.000 0.811 467 E CB -0.898 28.767 29.700 -0.058 0.000 0.746 467 E HN 0.181 nan 8.360 nan 0.000 0.466 468 A N 0.748 123.342 122.820 -0.376 0.000 1.872 468 A HA -0.120 4.202 4.320 0.004 0.000 0.214 468 A C 2.504 180.043 177.584 -0.075 0.000 1.187 468 A CA 1.417 53.341 52.037 -0.188 0.000 0.614 468 A CB -0.904 17.857 19.000 -0.399 0.000 0.826 468 A HN 0.202 nan 8.150 nan 0.000 0.442 469 V N -1.993 117.853 119.914 -0.114 0.000 2.287 469 V HA -0.233 3.889 4.120 0.004 0.000 0.248 469 V C 2.411 178.491 176.094 -0.022 0.000 1.053 469 V CA 2.614 64.882 62.300 -0.054 0.000 1.027 469 V CB -1.523 30.263 31.823 -0.062 0.000 0.646 469 V HN 0.447 nan 8.190 nan 0.000 0.447 470 S N 0.717 116.402 115.700 -0.026 0.000 2.368 470 S HA -0.130 4.342 4.470 0.004 0.000 0.225 470 S C 2.134 176.748 174.600 0.022 0.000 1.030 470 S CA 1.704 59.903 58.200 -0.001 0.000 0.999 470 S CB -0.648 62.551 63.200 -0.003 0.000 0.844 470 S HN 0.929 nan 8.310 nan 0.000 0.459 471 A N 0.812 123.657 122.820 0.042 0.000 2.019 471 A HA 0.207 4.530 4.320 0.004 0.000 0.219 471 A C 1.145 178.761 177.584 0.053 0.000 1.164 471 A CA 0.721 52.798 52.037 0.067 0.000 0.644 471 A CB -0.348 18.724 19.000 0.121 0.000 0.805 471 A HN 0.527 nan 8.150 nan 0.000 0.449 472 L N 0.000 121.249 121.223 0.044 0.000 2.949 472 L HA 0.000 4.342 4.340 0.004 0.000 0.249 472 L CA 0.000 54.863 54.840 0.038 0.000 0.813 472 L CB 0.000 42.083 42.059 0.040 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502