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 1a0e_1_D DATA FIRST_RESID 1 DATA SEQUENCE AEFFPEIPKV QFEGKESTNP LAFKFYDPEE IIDGKPLKDH LKFSVAFWHT DATA SEQUENCE FVNEGRDPFG DPTADRPWNR YTDPMDKAFA RVDALFEFCE KLNIEYFCFH DATA SEQUENCE DRDIAPEGKT LRETNKILDK VVERIKERMK DSNVKLLWGT ANLFSHPRYM DATA SEQUENCE HGAATTCSAD VFAYAAAQVK KALEITKELG GEGYVFWGGR EGYETLLNTD DATA SEQUENCE LGFELENLAR FLRMAVDYAK RIGFTGQFLI EPKPKEPTKH QYDFDVATAY DATA SEQUENCE AFLKSHGLDE YFKFNIEANH ATLAGHTFQH ELRMARILGK LGSIDANQGD DATA SEQUENCE LLLGWDTDQF PTNVYDTTLA MYEVIKAGGF TKGGLNFDAK VRRASYKVED DATA SEQUENCE LFIGHIAGMD TFALGFKVAY KLVKDGVLDK FIEEKYRSFR EGIGRDIVEG DATA SEQUENCE KVDFEKLEEY IIDKETIELP SGKQEYLESL INSYIVKTIL ELR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.008 0.000 1.274 1 A CA 0.000 52.071 52.037 0.056 0.000 0.836 1 A CB 0.000 19.017 19.000 0.029 0.000 0.831 2 E N -0.176 119.996 120.200 -0.045 0.000 2.028 2 E HA -0.113 4.257 4.350 0.033 0.000 0.191 2 E C 1.110 177.562 176.600 -0.247 0.000 0.988 2 E CA 1.467 57.757 56.400 -0.185 0.000 0.799 2 E CB -0.169 29.336 29.700 -0.325 0.000 0.755 2 E HN 0.667 nan 8.360 nan 0.000 0.447 3 F N 0.045 119.895 119.950 -0.166 0.000 2.118 3 F HA -0.045 4.501 4.527 0.030 0.000 0.293 3 F C 1.220 176.739 175.800 -0.468 0.000 1.102 3 F CA 0.804 58.560 58.000 -0.406 0.000 1.247 3 F CB -0.063 38.495 39.000 -0.737 0.000 1.017 3 F HN -0.108 nan 8.300 nan 0.000 0.475 4 F N 0.920 121.082 119.950 0.354 0.000 2.438 4 F HA 0.359 4.905 4.527 0.031 0.000 0.315 4 F C -1.676 174.165 175.800 0.068 0.000 1.258 4 F CA -3.158 54.967 58.000 0.209 0.000 1.180 4 F CB -0.560 38.596 39.000 0.260 0.000 1.412 4 F HN -0.178 nan 8.300 nan 0.000 0.544 5 P HA -0.231 nan 4.420 nan 0.000 0.218 5 P C 1.148 178.463 177.300 0.025 0.000 1.148 5 P CA 1.662 64.794 63.100 0.053 0.000 0.822 5 P CB 0.277 31.988 31.700 0.018 0.000 0.784 6 E N -0.210 120.007 120.200 0.028 0.000 2.482 6 E HA -0.042 4.328 4.350 0.033 0.000 0.196 6 E C 0.389 176.934 176.600 -0.092 0.000 1.047 6 E CA 0.254 56.639 56.400 -0.025 0.000 0.869 6 E CB -0.502 29.189 29.700 -0.016 0.000 0.836 6 E HN 0.265 nan 8.360 nan 0.000 0.520 7 I N 3.929 124.422 120.570 -0.129 0.000 2.339 7 I HA 0.245 4.435 4.170 0.033 0.000 0.290 7 I C -2.196 173.772 176.117 -0.248 0.000 0.994 7 I CA -2.745 58.360 61.300 -0.325 0.000 1.191 7 I CB 1.856 39.384 38.000 -0.786 0.000 1.343 7 I HN -0.105 nan 8.210 nan 0.000 0.458 8 P HA 0.212 nan 4.420 nan 0.000 0.280 8 P C -0.979 176.222 177.300 -0.165 0.000 1.272 8 P CA -0.944 62.067 63.100 -0.148 0.000 0.819 8 P CB 0.956 32.582 31.700 -0.123 0.000 1.122 9 K N 0.743 121.092 120.400 -0.086 0.000 2.451 9 K HA 0.167 4.506 4.320 0.033 0.000 0.280 9 K C -0.536 176.019 176.600 -0.075 0.000 1.020 9 K CA -0.251 56.004 56.287 -0.053 0.000 1.008 9 K CB 0.021 32.524 32.500 0.005 0.000 0.917 9 K HN 0.132 nan 8.250 nan 0.000 0.478 10 V N 5.233 125.096 119.914 -0.084 0.000 2.583 10 V HA 0.108 4.247 4.120 0.033 0.000 0.287 10 V C 0.040 176.161 176.094 0.045 0.000 1.051 10 V CA -0.172 62.044 62.300 -0.140 0.000 1.010 10 V CB 1.146 32.735 31.823 -0.389 0.000 0.988 10 V HN 0.851 nan 8.190 nan 0.000 0.478 11 Q N 2.524 122.347 119.800 0.038 0.000 2.458 11 Q HA 0.511 4.871 4.340 0.033 0.000 0.282 11 Q C -1.028 175.142 176.000 0.283 0.000 1.106 11 Q CA -0.897 55.020 55.803 0.189 0.000 0.814 11 Q CB 2.628 31.421 28.738 0.092 0.000 1.425 11 Q HN 0.632 nan 8.270 nan 0.000 0.437 12 F N 1.340 121.404 119.950 0.190 0.000 2.495 12 F HA 0.074 4.620 4.527 0.032 0.000 0.365 12 F C 0.553 176.392 175.800 0.064 0.000 1.090 12 F CA 0.701 58.796 58.000 0.158 0.000 1.235 12 F CB 0.574 39.613 39.000 0.066 0.000 1.119 12 F HN 0.596 nan 8.300 nan 0.000 0.562 13 E N 3.451 123.249 120.200 -0.669 0.000 2.641 13 E HA 0.280 4.649 4.350 0.033 0.000 0.224 13 E C 0.432 176.614 176.600 -0.697 0.000 0.951 13 E CA 0.179 56.270 56.400 -0.515 0.000 1.102 13 E CB 0.506 30.034 29.700 -0.286 0.000 1.091 13 E HN 0.979 nan 8.360 nan 0.000 0.507 14 G N 2.667 110.654 108.800 -1.354 0.000 2.758 14 G HA2 -0.329 3.650 3.960 0.033 0.000 0.686 14 G HA3 -0.329 3.650 3.960 0.033 0.000 0.686 14 G C 0.451 175.161 174.900 -0.317 0.000 1.389 14 G CA -0.048 44.603 45.100 -0.748 0.000 0.845 14 G HN 0.199 nan 8.290 nan 0.000 0.572 15 K N -0.221 120.156 120.400 -0.039 0.000 2.173 15 K HA -0.163 4.176 4.320 0.033 0.000 0.207 15 K C 1.540 178.146 176.600 0.011 0.000 1.046 15 K CA 2.278 58.615 56.287 0.082 0.000 0.929 15 K CB -0.006 32.640 32.500 0.242 0.000 0.720 15 K HN 0.608 nan 8.250 nan 0.000 0.453 16 E N 1.273 121.456 120.200 -0.028 0.000 2.479 16 E HA 0.066 4.435 4.350 0.033 0.000 0.193 16 E C -0.185 176.371 176.600 -0.074 0.000 1.049 16 E CA -0.385 55.998 56.400 -0.029 0.000 0.870 16 E CB 0.632 30.325 29.700 -0.012 0.000 0.944 16 E HN 0.242 nan 8.360 nan 0.000 0.492 17 S N 0.133 115.752 115.700 -0.135 0.000 2.563 17 S HA -0.037 4.453 4.470 0.033 0.000 0.284 17 S C 1.143 175.669 174.600 -0.123 0.000 1.331 17 S CA 0.545 58.654 58.200 -0.152 0.000 1.047 17 S CB 1.023 64.089 63.200 -0.223 0.000 0.859 17 S HN 0.250 nan 8.310 nan 0.000 0.514 18 T N 2.655 117.146 114.554 -0.106 0.000 2.969 18 T HA 0.162 4.532 4.350 0.033 0.000 0.250 18 T C 0.611 175.255 174.700 -0.093 0.000 1.021 18 T CA -0.132 61.918 62.100 -0.084 0.000 1.003 18 T CB -0.433 68.397 68.868 -0.062 0.000 1.040 18 T HN 0.727 nan 8.240 nan 0.000 0.492 19 N N 2.768 121.402 118.700 -0.111 0.000 2.431 19 N HA 0.074 4.833 4.740 0.033 0.000 0.265 19 N C -1.536 173.890 175.510 -0.139 0.000 1.184 19 N CA -1.287 51.693 53.050 -0.118 0.000 0.943 19 N CB 1.571 39.984 38.487 -0.123 0.000 1.080 19 N HN 0.210 nan 8.380 nan 0.000 0.477 20 P HA -0.104 nan 4.420 nan 0.000 0.228 20 P C 0.626 177.820 177.300 -0.177 0.000 1.151 20 P CA 0.950 63.969 63.100 -0.135 0.000 0.770 20 P CB 0.257 31.893 31.700 -0.106 0.000 0.786 21 L N -1.016 120.090 121.223 -0.196 0.000 2.912 21 L HA 0.433 4.793 4.340 0.033 0.000 0.240 21 L C 0.666 177.348 176.870 -0.313 0.000 1.262 21 L CA -0.495 54.193 54.840 -0.254 0.000 1.058 21 L CB 0.002 41.918 42.059 -0.239 0.000 1.383 21 L HN -0.115 nan 8.230 nan 0.000 0.512 22 A N -0.710 121.924 122.820 -0.310 0.000 2.414 22 A HA 0.728 5.068 4.320 0.033 0.000 0.306 22 A C -0.986 176.415 177.584 -0.305 0.000 1.054 22 A CA -0.431 51.418 52.037 -0.312 0.000 0.724 22 A CB 0.842 19.710 19.000 -0.219 0.000 1.267 22 A HN 0.039 nan 8.150 nan 0.000 0.418 23 F N 1.222 121.134 119.950 -0.063 0.000 2.456 23 F HA 0.347 4.893 4.527 0.032 0.000 0.358 23 F C 1.195 176.885 175.800 -0.184 0.000 1.095 23 F CA 0.191 58.192 58.000 0.003 0.000 1.216 23 F CB 1.306 40.453 39.000 0.246 0.000 1.125 23 F HN 0.637 nan 8.300 nan 0.000 0.549 24 K N 1.695 122.010 120.400 -0.142 0.000 2.308 24 K HA 0.173 4.512 4.320 0.033 0.000 0.197 24 K C 0.755 177.166 176.600 -0.314 0.000 1.049 24 K CA 0.806 56.781 56.287 -0.520 0.000 0.991 24 K CB 0.054 31.990 32.500 -0.941 0.000 0.836 24 K HN 0.472 nan 8.250 nan 0.000 0.500 25 F N -2.371 117.853 119.950 0.457 0.000 2.747 25 F HA 0.238 4.785 4.527 0.032 0.000 0.305 25 F C 0.088 176.185 175.800 0.494 0.000 1.065 25 F CA -0.998 57.283 58.000 0.469 0.000 1.230 25 F CB -0.182 39.009 39.000 0.318 0.000 1.027 25 F HN -0.198 nan 8.300 nan 0.000 0.607 26 Y N 3.077 123.636 120.300 0.431 0.000 2.504 26 Y HA 0.383 4.953 4.550 0.033 0.000 0.351 26 Y C -0.455 175.407 175.900 -0.062 0.000 0.988 26 Y CA -1.665 56.505 58.100 0.115 0.000 1.239 26 Y CB -0.108 38.289 38.460 -0.105 0.000 1.128 26 Y HN -0.067 nan 8.280 nan 0.000 0.525 27 D N 8.871 128.910 120.400 -0.602 0.000 2.454 27 D HA 0.302 4.962 4.640 0.033 0.000 0.225 27 D C -2.086 173.704 176.300 -0.850 0.000 1.081 27 D CA -2.594 50.884 54.000 -0.871 0.000 0.864 27 D CB 1.816 41.938 40.800 -1.130 0.000 1.040 27 D HN 0.291 nan 8.370 nan 0.000 0.517 28 P HA -0.158 nan 4.420 nan 0.000 0.216 28 P C 0.891 177.994 177.300 -0.327 0.000 1.154 28 P CA 1.055 63.710 63.100 -0.741 0.000 0.865 28 P CB 0.518 31.947 31.700 -0.453 0.000 0.789 29 E N -0.546 119.489 120.200 -0.274 0.000 2.230 29 E HA -0.060 4.310 4.350 0.033 0.000 0.192 29 E C 0.596 177.112 176.600 -0.141 0.000 0.987 29 E CA 0.124 56.428 56.400 -0.159 0.000 0.841 29 E CB -0.666 28.965 29.700 -0.115 0.000 0.783 29 E HN 0.319 nan 8.360 nan 0.000 0.481 30 E N 1.279 121.362 120.200 -0.195 0.000 2.729 30 E HA -0.117 4.253 4.350 0.033 0.000 0.246 30 E C -0.162 176.397 176.600 -0.069 0.000 0.984 30 E CA -0.084 56.230 56.400 -0.143 0.000 0.951 30 E CB 0.037 29.621 29.700 -0.193 0.000 0.914 30 E HN 0.267 nan 8.360 nan 0.000 0.509 31 I N 5.445 125.993 120.570 -0.036 0.000 2.395 31 I HA 0.312 4.501 4.170 0.033 0.000 0.289 31 I C -0.863 175.270 176.117 0.028 0.000 1.023 31 I CA -0.553 60.751 61.300 0.007 0.000 1.350 31 I CB 0.488 38.491 38.000 0.005 0.000 1.409 31 I HN 0.512 nan 8.210 nan 0.000 0.507 32 I N 6.782 127.410 120.570 0.096 0.000 2.447 32 I HA 0.282 4.472 4.170 0.033 0.000 0.287 32 I C -0.639 175.582 176.117 0.173 0.000 1.023 32 I CA -0.549 60.777 61.300 0.043 0.000 1.083 32 I CB 1.475 39.377 38.000 -0.164 0.000 1.245 32 I HN 0.650 nan 8.210 nan 0.000 0.434 33 D N 5.007 125.476 120.400 0.114 0.000 2.837 33 D HA -0.185 4.474 4.640 0.033 0.000 0.230 33 D C 1.049 177.418 176.300 0.115 0.000 1.152 33 D CA 1.687 55.773 54.000 0.144 0.000 0.736 33 D CB -1.071 39.853 40.800 0.206 0.000 1.084 33 D HN 1.164 nan 8.370 nan 0.000 0.429 34 G N -0.688 108.160 108.800 0.080 0.000 2.143 34 G HA2 -0.345 3.635 3.960 0.033 0.000 0.249 34 G HA3 -0.345 3.635 3.960 0.033 0.000 0.249 34 G C 0.188 175.098 174.900 0.017 0.000 0.981 34 G CA 0.677 45.803 45.100 0.044 0.000 0.665 34 G HN 0.479 nan 8.290 nan 0.000 0.528 35 K N 0.688 121.100 120.400 0.020 0.000 2.427 35 K HA 0.491 4.831 4.320 0.033 0.000 0.252 35 K C -2.681 173.886 176.600 -0.055 0.000 0.931 35 K CA -2.172 54.059 56.287 -0.094 0.000 0.793 35 K CB 3.106 35.384 32.500 -0.370 0.000 1.211 35 K HN -0.039 nan 8.250 nan 0.000 0.426 36 P HA -0.014 nan 4.420 nan 0.000 0.272 36 P C 0.580 177.864 177.300 -0.027 0.000 1.230 36 P CA -0.478 62.595 63.100 -0.046 0.000 0.788 36 P CB 0.641 32.308 31.700 -0.055 0.000 0.949 37 L N 2.697 123.923 121.223 0.005 0.000 2.127 37 L HA -0.205 4.154 4.340 0.033 0.000 0.211 37 L C 2.277 179.162 176.870 0.025 0.000 1.089 37 L CA 1.993 56.862 54.840 0.049 0.000 0.757 37 L CB -1.237 40.813 42.059 -0.016 0.000 0.899 37 L HN 0.410 nan 8.230 nan 0.000 0.434 38 K N -2.110 118.308 120.400 0.030 0.000 2.280 38 K HA -0.146 4.194 4.320 0.033 0.000 0.202 38 K C 1.059 177.656 176.600 -0.005 0.000 1.047 38 K CA 1.622 57.964 56.287 0.091 0.000 0.942 38 K CB -0.355 32.214 32.500 0.115 0.000 0.739 38 K HN 0.233 nan 8.250 nan 0.000 0.457 39 D N 0.261 120.610 120.400 -0.085 0.000 2.348 39 D HA -0.009 4.651 4.640 0.033 0.000 0.211 39 D C 1.515 177.692 176.300 -0.206 0.000 0.998 39 D CA 0.487 54.412 54.000 -0.125 0.000 0.873 39 D CB 0.107 40.811 40.800 -0.160 0.000 0.925 39 D HN 0.351 nan 8.370 nan 0.000 0.524 40 H N -0.124 118.861 119.070 -0.142 0.000 2.355 40 H HA 0.151 4.727 4.556 0.032 0.000 0.303 40 H C 2.124 177.359 175.328 -0.154 0.000 1.061 40 H CA 0.610 56.538 56.048 -0.199 0.000 1.368 40 H CB 0.325 29.756 29.762 -0.550 0.000 1.412 40 H HN 0.139 nan 8.280 nan 0.000 0.523 41 L N 0.499 121.587 121.223 -0.226 0.000 2.162 41 L HA -0.025 4.335 4.340 0.033 0.000 0.205 41 L C 0.772 177.350 176.870 -0.487 0.000 1.086 41 L CA 0.374 54.940 54.840 -0.457 0.000 0.778 41 L CB -0.200 41.206 42.059 -1.089 0.000 0.928 41 L HN 0.085 nan 8.230 nan 0.000 0.446 42 K N 0.488 120.689 120.400 -0.331 0.000 3.156 42 K HA -0.211 4.129 4.320 0.033 0.000 0.266 42 K C -0.567 175.901 176.600 -0.220 0.000 0.966 42 K CA 0.086 56.221 56.287 -0.255 0.000 0.719 42 K CB -1.857 30.363 32.500 -0.468 0.000 1.333 42 K HN 0.003 nan 8.250 nan 0.000 0.468 43 F N 0.859 120.790 119.950 -0.031 0.000 2.628 43 F HA 0.037 4.584 4.527 0.033 0.000 0.362 43 F C 1.322 177.196 175.800 0.124 0.000 1.148 43 F CA 0.338 58.349 58.000 0.017 0.000 1.352 43 F CB 0.841 39.929 39.000 0.147 0.000 1.081 43 F HN 0.152 nan 8.300 nan 0.000 0.605 44 S N 1.944 117.842 115.700 0.330 0.000 2.546 44 S HA 0.753 5.242 4.470 0.033 0.000 0.274 44 S C -1.199 173.558 174.600 0.260 0.000 1.121 44 S CA -0.820 57.525 58.200 0.241 0.000 0.887 44 S CB 1.224 64.432 63.200 0.014 0.000 1.094 44 S HN 0.654 nan 8.310 nan 0.000 0.474 45 V N 1.766 121.814 119.914 0.223 0.000 2.617 45 V HA 0.954 5.094 4.120 0.033 0.000 0.298 45 V C 0.360 176.405 176.094 -0.082 0.000 1.048 45 V CA -0.624 61.773 62.300 0.162 0.000 0.964 45 V CB 0.797 32.713 31.823 0.155 0.000 1.004 45 V HN 1.182 nan 8.190 nan 0.000 0.466 46 A N 3.220 125.845 122.820 -0.324 0.000 2.252 46 A HA 0.587 4.927 4.320 0.033 0.000 0.309 46 A C 0.365 177.539 177.584 -0.683 0.000 1.285 46 A CA -0.511 50.941 52.037 -0.975 0.000 0.900 46 A CB 0.048 18.159 19.000 -1.482 0.000 1.157 46 A HN 1.003 nan 8.150 nan 0.000 0.536 47 F N 2.472 122.190 119.950 -0.387 0.000 2.126 47 F HA -0.198 4.346 4.527 0.029 0.000 0.299 47 F C 1.800 177.645 175.800 0.076 0.000 1.096 47 F CA 2.738 60.792 58.000 0.089 0.000 1.255 47 F CB -0.244 38.959 39.000 0.338 0.000 0.997 47 F HN 0.887 nan 8.300 nan 0.000 0.479 48 W N -0.428 121.058 121.300 0.309 0.000 2.333 48 W HA -0.224 4.453 4.660 0.029 0.000 0.316 48 W C 2.365 178.879 176.519 -0.009 0.000 1.215 48 W CA 1.774 59.224 57.345 0.174 0.000 1.278 48 W CB -1.536 28.023 29.460 0.165 0.000 1.154 48 W HN -0.062 nan 8.180 nan 0.000 0.486 49 H N 0.255 119.214 119.070 -0.186 0.000 2.395 49 H HA -0.024 4.551 4.556 0.033 0.000 0.299 49 H C 2.103 177.283 175.328 -0.247 0.000 1.070 49 H CA 2.237 58.199 56.048 -0.145 0.000 1.356 49 H CB -0.762 28.851 29.762 -0.248 0.000 1.401 49 H HN 0.212 nan 8.280 nan 0.000 0.524 50 T N 0.260 114.583 114.554 -0.385 0.000 2.894 50 T HA -0.025 4.345 4.350 0.033 0.000 0.258 50 T C 1.629 175.762 174.700 -0.945 0.000 1.043 50 T CA 0.893 62.520 62.100 -0.787 0.000 1.141 50 T CB -0.125 67.911 68.868 -1.388 0.000 0.873 50 T HN 0.119 nan 8.240 nan 0.000 0.449 51 F N 0.236 119.893 119.950 -0.489 0.000 2.500 51 F HA 0.285 4.830 4.527 0.029 0.000 0.285 51 F C 2.217 177.848 175.800 -0.281 0.000 1.088 51 F CA -0.210 57.414 58.000 -0.627 0.000 1.432 51 F CB -0.490 37.659 39.000 -1.418 0.000 1.131 51 F HN -0.077 nan 8.300 nan 0.000 0.582 52 V N -0.592 119.320 119.914 -0.002 0.000 2.426 52 V HA -0.085 4.054 4.120 0.033 0.000 0.242 52 V C 1.058 177.268 176.094 0.195 0.000 1.036 52 V CA 0.532 62.932 62.300 0.166 0.000 1.044 52 V CB -0.634 31.350 31.823 0.268 0.000 0.688 52 V HN 0.296 nan 8.190 nan 0.000 0.462 53 N N 1.608 120.408 118.700 0.166 0.000 2.458 53 N HA -0.053 4.707 4.740 0.033 0.000 0.258 53 N C 0.060 175.669 175.510 0.166 0.000 1.219 53 N CA 0.509 53.664 53.050 0.175 0.000 0.902 53 N CB 0.793 39.406 38.487 0.210 0.000 1.076 53 N HN 0.495 nan 8.380 nan 0.000 0.455 54 E N 1.707 121.999 120.200 0.153 0.000 2.812 54 E HA 0.191 4.560 4.350 0.033 0.000 0.211 54 E C 0.475 177.144 176.600 0.114 0.000 0.986 54 E CA -0.009 56.474 56.400 0.137 0.000 1.119 54 E CB 0.354 30.137 29.700 0.138 0.000 1.046 54 E HN 0.924 nan 8.360 nan 0.000 0.474 55 G N 2.597 111.466 108.800 0.114 0.000 2.132 55 G HA2 -0.325 3.655 3.960 0.033 0.000 0.234 55 G HA3 -0.325 3.655 3.960 0.033 0.000 0.234 55 G C 0.226 175.175 174.900 0.081 0.000 0.989 55 G CA 0.175 45.335 45.100 0.100 0.000 0.676 55 G HN 0.251 nan 8.290 nan 0.000 0.522 56 R N 0.746 121.294 120.500 0.080 0.000 2.389 56 R HA 0.480 4.840 4.340 0.033 0.000 0.295 56 R C 0.035 176.366 176.300 0.052 0.000 1.075 56 R CA 0.415 56.549 56.100 0.057 0.000 1.005 56 R CB 0.321 30.653 30.300 0.053 0.000 0.987 56 R HN 0.393 nan 8.270 nan 0.000 0.452 57 D N 4.259 124.681 120.400 0.037 0.000 2.450 57 D HA 0.312 4.972 4.640 0.033 0.000 0.238 57 D C -1.888 174.382 176.300 -0.050 0.000 1.020 57 D CA -2.006 52.006 54.000 0.019 0.000 1.010 57 D CB 1.292 42.130 40.800 0.063 0.000 1.342 57 D HN 0.251 nan 8.370 nan 0.000 0.530 58 P HA -0.129 nan 4.420 nan 0.000 0.219 58 P C 0.473 177.414 177.300 -0.598 0.000 1.144 58 P CA 1.177 64.033 63.100 -0.407 0.000 0.806 58 P CB -0.038 31.315 31.700 -0.579 0.000 0.771 59 F N -0.857 119.052 119.950 -0.070 0.000 2.682 59 F HA 0.442 4.990 4.527 0.035 0.000 0.308 59 F C 1.530 177.310 175.800 -0.034 0.000 1.093 59 F CA -0.057 57.911 58.000 -0.053 0.000 1.244 59 F CB 0.522 39.486 39.000 -0.060 0.000 1.052 59 F HN -0.104 nan 8.300 nan 0.000 0.573 60 G N -0.873 107.978 108.800 0.085 0.000 2.690 60 G HA2 0.387 4.366 3.960 0.033 0.000 0.293 60 G HA3 0.387 4.366 3.960 0.033 0.000 0.293 60 G C -1.609 173.308 174.900 0.027 0.000 1.399 60 G CA -0.669 44.467 45.100 0.060 0.000 0.890 60 G HN -0.236 nan 8.290 nan 0.000 0.485 61 D N 0.815 121.227 120.400 0.020 0.000 2.358 61 D HA 0.341 5.001 4.640 0.033 0.000 0.244 61 D C -1.878 174.435 176.300 0.022 0.000 1.163 61 D CA -0.681 53.329 54.000 0.017 0.000 0.945 61 D CB 1.288 42.094 40.800 0.010 0.000 1.152 61 D HN 0.127 nan 8.370 nan 0.000 0.451 62 P HA 0.013 nan 4.420 nan 0.000 0.269 62 P C 0.333 177.648 177.300 0.026 0.000 1.209 62 P CA 0.111 63.239 63.100 0.046 0.000 0.776 62 P CB 0.678 32.416 31.700 0.064 0.000 0.876 63 T N -2.086 112.488 114.554 0.035 0.000 2.955 63 T HA 0.297 4.667 4.350 0.033 0.000 0.251 63 T C 0.978 175.730 174.700 0.086 0.000 1.002 63 T CA 0.064 62.157 62.100 -0.011 0.000 0.970 63 T CB -0.335 68.503 68.868 -0.050 0.000 1.091 63 T HN 0.499 nan 8.240 nan 0.000 0.495 64 A N 2.206 125.109 122.820 0.138 0.000 2.565 64 A HA 0.271 4.611 4.320 0.033 0.000 0.237 64 A C 0.157 177.826 177.584 0.141 0.000 1.053 64 A CA 0.106 52.245 52.037 0.170 0.000 0.755 64 A CB -0.192 18.878 19.000 0.116 0.000 0.980 64 A HN 0.441 nan 8.150 nan 0.000 0.506 65 D N 2.090 122.578 120.400 0.148 0.000 2.454 65 D HA 0.319 4.978 4.640 0.033 0.000 0.225 65 D C -0.562 175.690 176.300 -0.080 0.000 1.081 65 D CA -0.328 53.712 54.000 0.066 0.000 0.864 65 D CB 0.272 41.139 40.800 0.111 0.000 1.040 65 D HN 0.378 nan 8.370 nan 0.000 0.517 66 R N 4.054 124.416 120.500 -0.230 0.000 2.599 66 R HA 0.340 4.700 4.340 0.033 0.000 0.295 66 R C -1.568 174.360 176.300 -0.620 0.000 0.963 66 R CA -1.790 53.938 56.100 -0.620 0.000 0.883 66 R CB 1.444 31.093 30.300 -1.086 0.000 1.171 66 R HN 0.257 nan 8.270 nan 0.000 0.450 67 P HA -0.161 nan 4.420 nan 0.000 0.214 67 P C 0.877 178.221 177.300 0.073 0.000 1.163 67 P CA 1.538 64.575 63.100 -0.107 0.000 0.889 67 P CB -0.112 31.678 31.700 0.150 0.000 0.790 68 W N 0.410 121.905 121.300 0.324 0.000 2.747 68 W HA 0.068 4.741 4.660 0.023 0.000 0.244 68 W C 1.201 177.947 176.519 0.380 0.000 1.270 68 W CA 0.106 57.693 57.345 0.403 0.000 1.333 68 W CB -2.498 27.047 29.460 0.141 0.000 1.139 68 W HN -0.033 nan 8.180 nan 0.000 0.662 69 N N 1.025 119.793 118.700 0.113 0.000 2.521 69 N HA -0.072 4.688 4.740 0.033 0.000 0.188 69 N C 1.879 177.469 175.510 0.133 0.000 1.146 69 N CA 0.523 53.655 53.050 0.136 0.000 0.893 69 N CB -0.010 38.478 38.487 0.001 0.000 0.975 69 N HN 0.406 nan 8.380 nan 0.000 0.451 70 R N -0.136 120.426 120.500 0.102 0.000 2.075 70 R HA -0.044 4.315 4.340 0.033 0.000 0.226 70 R C 0.056 176.328 176.300 -0.047 0.000 1.114 70 R CA 0.549 56.624 56.100 -0.042 0.000 0.972 70 R CB -0.734 29.453 30.300 -0.188 0.000 0.869 70 R HN 0.133 nan 8.270 nan 0.000 0.437 71 Y N 1.997 122.381 120.300 0.140 0.000 2.713 71 Y HA -0.053 4.512 4.550 0.026 0.000 0.341 71 Y C 1.706 177.682 175.900 0.127 0.000 1.167 71 Y CA 0.472 58.657 58.100 0.141 0.000 1.503 71 Y CB 0.755 39.327 38.460 0.186 0.000 1.199 71 Y HN 0.012 nan 8.280 nan 0.000 0.525 72 T N 0.327 114.999 114.554 0.197 0.000 3.037 72 T HA -0.075 4.295 4.350 0.033 0.000 0.251 72 T C 0.346 175.134 174.700 0.146 0.000 1.079 72 T CA -0.003 62.187 62.100 0.148 0.000 1.067 72 T CB -0.198 68.725 68.868 0.092 0.000 0.948 72 T HN 0.647 nan 8.240 nan 0.000 0.496 73 D N 1.773 122.275 120.400 0.169 0.000 2.358 73 D HA 0.125 4.785 4.640 0.033 0.000 0.258 73 D C -1.609 174.773 176.300 0.138 0.000 1.223 73 D CA -1.885 52.200 54.000 0.142 0.000 0.886 73 D CB 1.797 42.688 40.800 0.152 0.000 1.120 73 D HN 0.107 nan 8.370 nan 0.000 0.482 74 P HA -0.209 nan 4.420 nan 0.000 0.218 74 P C 1.686 179.000 177.300 0.023 0.000 1.154 74 P CA 1.333 64.472 63.100 0.066 0.000 0.872 74 P CB 0.173 31.901 31.700 0.045 0.000 0.790 75 M N -1.389 118.224 119.600 0.022 0.000 2.200 75 M HA -0.107 4.392 4.480 0.033 0.000 0.265 75 M C 1.435 177.756 176.300 0.035 0.000 1.066 75 M CA 1.625 56.901 55.300 -0.041 0.000 1.127 75 M CB -1.487 31.139 32.600 0.043 0.000 1.379 75 M HN -0.060 nan 8.290 nan 0.000 0.420 76 D N 0.264 120.752 120.400 0.146 0.000 2.117 76 D HA -0.153 4.507 4.640 0.033 0.000 0.197 76 D C 1.993 178.278 176.300 -0.025 0.000 0.987 76 D CA 1.170 55.263 54.000 0.155 0.000 0.829 76 D CB -0.154 40.817 40.800 0.286 0.000 0.961 76 D HN 0.313 nan 8.370 nan 0.000 0.460 77 K N 0.413 120.842 120.400 0.049 0.000 2.026 77 K HA -0.073 4.267 4.320 0.033 0.000 0.208 77 K C 2.031 178.582 176.600 -0.081 0.000 1.048 77 K CA 1.199 57.513 56.287 0.045 0.000 0.929 77 K CB -0.063 32.532 32.500 0.158 0.000 0.713 77 K HN 0.023 nan 8.250 nan 0.000 0.439 78 A N 0.244 122.987 122.820 -0.129 0.000 1.940 78 A HA -0.159 4.181 4.320 0.033 0.000 0.219 78 A C 1.866 179.282 177.584 -0.279 0.000 1.176 78 A CA 1.422 53.314 52.037 -0.241 0.000 0.631 78 A CB -0.645 18.129 19.000 -0.375 0.000 0.814 78 A HN 0.313 nan 8.150 nan 0.000 0.446 79 F N -0.335 119.549 119.950 -0.111 0.000 2.270 79 F HA 0.144 4.692 4.527 0.034 0.000 0.295 79 F C 2.739 178.446 175.800 -0.154 0.000 1.087 79 F CA 0.284 58.214 58.000 -0.117 0.000 1.365 79 F CB -0.771 38.174 39.000 -0.091 0.000 1.056 79 F HN 0.240 nan 8.300 nan 0.000 0.506 80 A N 0.339 123.134 122.820 -0.041 0.000 1.908 80 A HA -0.210 4.130 4.320 0.033 0.000 0.218 80 A C 2.348 179.710 177.584 -0.369 0.000 1.181 80 A CA 1.685 53.668 52.037 -0.090 0.000 0.627 80 A CB -0.662 18.192 19.000 -0.243 0.000 0.818 80 A HN 0.303 nan 8.150 nan 0.000 0.445 81 R N -0.795 119.413 120.500 -0.488 0.000 2.092 81 R HA -0.065 4.295 4.340 0.033 0.000 0.231 81 R C 1.994 177.900 176.300 -0.657 0.000 1.119 81 R CA 1.369 56.968 56.100 -0.835 0.000 0.970 81 R CB -0.492 29.418 30.300 -0.651 0.000 0.864 81 R HN 0.406 nan 8.270 nan 0.000 0.440 82 V N 1.500 121.258 119.914 -0.260 0.000 2.407 82 V HA -0.230 3.909 4.120 0.033 0.000 0.248 82 V C 1.465 177.536 176.094 -0.038 0.000 1.055 82 V CA 1.839 64.075 62.300 -0.107 0.000 1.049 82 V CB -0.406 31.447 31.823 0.049 0.000 0.662 82 V HN 0.255 nan 8.190 nan 0.000 0.455 83 D N 0.531 120.896 120.400 -0.058 0.000 2.103 83 D HA -0.062 4.598 4.640 0.033 0.000 0.199 83 D C 2.276 178.550 176.300 -0.043 0.000 0.978 83 D CA 1.583 55.644 54.000 0.102 0.000 0.829 83 D CB -0.389 40.628 40.800 0.362 0.000 0.981 83 D HN 0.414 nan 8.370 nan 0.000 0.464 84 A N 1.429 123.886 122.820 -0.605 0.000 1.908 84 A HA -0.141 4.198 4.320 0.033 0.000 0.218 84 A C 2.224 179.601 177.584 -0.344 0.000 1.181 84 A CA 0.843 52.512 52.037 -0.614 0.000 0.627 84 A CB -0.852 17.594 19.000 -0.924 0.000 0.818 84 A HN 0.268 nan 8.150 nan 0.000 0.445 85 L N -1.362 119.276 121.223 -0.976 0.000 1.963 85 L HA -0.253 4.106 4.340 0.033 0.000 0.220 85 L C 2.500 179.156 176.870 -0.357 0.000 1.076 85 L CA 2.518 56.715 54.840 -1.072 0.000 0.772 85 L CB -0.561 40.809 42.059 -1.149 0.000 0.892 85 L HN 0.464 nan 8.230 nan 0.000 0.435 86 F N 0.215 120.059 119.950 -0.177 0.000 2.216 86 F HA -0.214 4.331 4.527 0.031 0.000 0.300 86 F C 2.655 178.520 175.800 0.108 0.000 1.085 86 F CA 1.597 59.574 58.000 -0.038 0.000 1.326 86 F CB -0.372 38.585 39.000 -0.071 0.000 1.027 86 F HN 0.275 nan 8.300 nan 0.000 0.497 87 E N -0.021 120.391 120.200 0.354 0.000 2.072 87 E HA -0.234 4.135 4.350 0.033 0.000 0.191 87 E C 2.196 179.089 176.600 0.489 0.000 0.985 87 E CA 1.014 57.658 56.400 0.407 0.000 0.801 87 E CB -0.307 29.678 29.700 0.476 0.000 0.750 87 E HN 0.363 nan 8.360 nan 0.000 0.452 88 F N 1.090 121.294 119.950 0.425 0.000 2.069 88 F HA -0.291 4.257 4.527 0.035 0.000 0.298 88 F C 2.373 178.272 175.800 0.164 0.000 1.113 88 F CA 1.767 59.955 58.000 0.312 0.000 1.214 88 F CB -0.490 38.664 39.000 0.258 0.000 0.978 88 F HN 0.170 nan 8.300 nan 0.000 0.474 89 C N 0.038 119.508 119.300 0.284 0.000 2.425 89 C HA -0.167 4.313 4.460 0.033 0.000 0.277 89 C C 2.704 177.772 174.990 0.130 0.000 1.280 89 C CA 1.320 60.434 59.018 0.159 0.000 1.744 89 C CB -1.248 26.567 27.740 0.124 0.000 1.989 89 C HN 0.606 nan 8.230 nan 0.000 0.491 90 E N 1.008 121.307 120.200 0.165 0.000 2.031 90 E HA -0.202 4.168 4.350 0.033 0.000 0.193 90 E C 2.154 178.823 176.600 0.116 0.000 0.994 90 E CA 1.215 57.702 56.400 0.146 0.000 0.800 90 E CB -0.013 29.784 29.700 0.162 0.000 0.752 90 E HN 0.571 nan 8.360 nan 0.000 0.447 91 K N -0.036 120.432 120.400 0.114 0.000 2.057 91 K HA -0.138 4.201 4.320 0.033 0.000 0.207 91 K C 1.933 178.552 176.600 0.032 0.000 1.049 91 K CA 0.746 57.065 56.287 0.054 0.000 0.931 91 K CB -0.077 32.438 32.500 0.025 0.000 0.714 91 K HN 0.137 nan 8.250 nan 0.000 0.440 92 L N 1.313 122.534 121.223 -0.004 0.000 2.599 92 L HA 0.057 4.416 4.340 0.033 0.000 0.230 92 L C 0.150 177.146 176.870 0.211 0.000 1.141 92 L CA 0.881 55.716 54.840 -0.009 0.000 0.877 92 L CB -0.826 41.014 42.059 -0.364 0.000 1.009 92 L HN 0.299 nan 8.230 nan 0.000 0.447 93 N N -0.377 118.438 118.700 0.191 0.000 2.829 93 N HA -0.208 4.552 4.740 0.033 0.000 0.250 93 N C 0.014 175.673 175.510 0.249 0.000 1.090 93 N CA 0.580 53.773 53.050 0.238 0.000 0.781 93 N CB -1.113 37.575 38.487 0.336 0.000 1.124 93 N HN 0.259 nan 8.380 nan 0.000 0.559 94 I N 0.965 121.663 120.570 0.213 0.000 2.428 94 I HA 0.112 4.302 4.170 0.033 0.000 0.296 94 I C 1.305 177.534 176.117 0.185 0.000 0.985 94 I CA -0.149 61.299 61.300 0.246 0.000 1.260 94 I CB 1.159 39.309 38.000 0.251 0.000 1.389 94 I HN -0.008 nan 8.210 nan 0.000 0.484 95 E N 4.158 124.463 120.200 0.176 0.000 2.562 95 E HA 0.171 4.541 4.350 0.033 0.000 0.214 95 E C -1.245 175.228 176.600 -0.213 0.000 0.979 95 E CA 0.014 56.397 56.400 -0.027 0.000 1.002 95 E CB 0.712 30.329 29.700 -0.139 0.000 1.048 95 E HN 0.434 nan 8.360 nan 0.000 0.488 96 Y N 0.045 120.448 120.300 0.172 0.000 2.524 96 Y HA 0.420 4.989 4.550 0.032 0.000 0.347 96 Y C -0.561 175.463 175.900 0.205 0.000 1.005 96 Y CA -1.556 56.635 58.100 0.151 0.000 1.025 96 Y CB 1.464 39.944 38.460 0.032 0.000 1.275 96 Y HN -0.085 nan 8.280 nan 0.000 0.460 97 F N -0.622 119.398 119.950 0.117 0.000 2.626 97 F HA 0.897 5.443 4.527 0.032 0.000 0.311 97 F C -1.600 174.161 175.800 -0.065 0.000 1.088 97 F CA -1.730 56.277 58.000 0.012 0.000 0.949 97 F CB 0.839 39.843 39.000 0.005 0.000 1.322 97 F HN 0.479 nan 8.300 nan 0.000 0.461 98 C N 2.389 121.455 119.300 -0.390 0.000 2.634 98 C HA 0.904 5.383 4.460 0.033 0.000 0.313 98 C C -0.933 174.028 174.990 -0.049 0.000 1.198 98 C CA -0.769 57.861 59.018 -0.646 0.000 1.605 98 C CB 0.987 27.948 27.740 -1.299 0.000 2.196 98 C HN 0.869 nan 8.230 nan 0.000 0.486 99 F N -0.505 119.381 119.950 -0.107 0.000 2.668 99 F HA 0.679 5.224 4.527 0.031 0.000 0.309 99 F C -0.852 174.956 175.800 0.013 0.000 1.117 99 F CA -0.964 57.127 58.000 0.153 0.000 0.951 99 F CB 0.606 39.620 39.000 0.023 0.000 1.323 99 F HN 0.604 nan 8.300 nan 0.000 0.451 100 H N 0.913 120.109 119.070 0.210 0.000 2.472 100 H HA 0.239 4.815 4.556 0.033 0.000 0.335 100 H C 0.282 175.728 175.328 0.196 0.000 1.136 100 H CA 0.160 56.211 56.048 0.005 0.000 1.264 100 H CB 1.337 31.093 29.762 -0.009 0.000 1.486 100 H HN 0.727 nan 8.280 nan 0.000 0.517 101 D N 1.290 121.832 120.400 0.238 0.000 2.182 101 D HA -0.184 4.475 4.640 0.033 0.000 0.201 101 D C 1.252 177.652 176.300 0.166 0.000 0.986 101 D CA 1.121 55.281 54.000 0.266 0.000 0.847 101 D CB 0.105 41.006 40.800 0.169 0.000 0.942 101 D HN 0.317 nan 8.370 nan 0.000 0.467 102 R N 0.080 120.651 120.500 0.120 0.000 2.310 102 R HA 0.082 4.441 4.340 0.033 0.000 0.202 102 R C 0.683 177.038 176.300 0.092 0.000 0.933 102 R CA 0.263 56.397 56.100 0.057 0.000 1.054 102 R CB 0.015 30.302 30.300 -0.021 0.000 0.985 102 R HN 0.314 nan 8.270 nan 0.000 0.489 103 D N 0.822 121.327 120.400 0.175 0.000 2.162 103 D HA -0.053 4.606 4.640 0.033 0.000 0.205 103 D C 1.916 178.238 176.300 0.038 0.000 0.964 103 D CA 0.852 54.995 54.000 0.239 0.000 0.847 103 D CB 0.090 41.158 40.800 0.447 0.000 0.988 103 D HN 0.329 nan 8.370 nan 0.000 0.480 104 I N -2.052 118.407 120.570 -0.186 0.000 2.876 104 I HA 0.267 4.456 4.170 0.033 0.000 0.264 104 I C 0.511 176.496 176.117 -0.219 0.000 1.204 104 I CA 0.196 61.268 61.300 -0.380 0.000 1.485 104 I CB 0.186 37.853 38.000 -0.554 0.000 1.103 104 I HN -0.188 nan 8.210 nan 0.000 0.446 105 A N 2.540 125.287 122.820 -0.122 0.000 2.437 105 A HA 0.676 5.015 4.320 0.033 0.000 0.293 105 A C -2.722 174.826 177.584 -0.060 0.000 1.038 105 A CA -1.185 50.778 52.037 -0.124 0.000 0.708 105 A CB 0.558 19.482 19.000 -0.126 0.000 1.251 105 A HN 0.060 nan 8.150 nan 0.000 0.409 106 P HA 0.101 nan 4.420 nan 0.000 0.269 106 P C -0.338 176.953 177.300 -0.015 0.000 1.217 106 P CA 0.166 63.254 63.100 -0.020 0.000 0.783 106 P CB 0.784 32.474 31.700 -0.018 0.000 0.898 107 E N -0.406 119.792 120.200 -0.002 0.000 2.277 107 E HA 0.461 4.830 4.350 0.033 0.000 0.274 107 E C 0.515 177.115 176.600 0.000 0.000 1.022 107 E CA -0.715 55.682 56.400 -0.005 0.000 0.853 107 E CB 1.021 30.710 29.700 -0.018 0.000 1.086 107 E HN 0.574 nan 8.360 nan 0.000 0.397 108 G N 0.428 109.229 108.800 0.001 0.000 2.568 108 G HA2 0.351 4.331 3.960 0.033 0.000 0.293 108 G HA3 0.351 4.331 3.960 0.033 0.000 0.293 108 G C 0.598 175.504 174.900 0.010 0.000 1.347 108 G CA 0.318 45.422 45.100 0.006 0.000 1.039 108 G HN 0.546 nan 8.290 nan 0.000 0.523 109 K N -1.367 119.042 120.400 0.015 0.000 2.228 109 K HA 0.292 4.632 4.320 0.033 0.000 0.202 109 K C 1.392 178.008 176.600 0.026 0.000 1.051 109 K CA 1.741 58.041 56.287 0.020 0.000 0.960 109 K CB -0.634 31.878 32.500 0.020 0.000 0.743 109 K HN 1.096 nan 8.250 nan 0.000 0.458 110 T N -4.255 110.312 114.554 0.021 0.000 2.907 110 T HA 0.477 4.846 4.350 0.033 0.000 0.290 110 T C 0.843 175.546 174.700 0.005 0.000 1.066 110 T CA -0.240 61.873 62.100 0.022 0.000 1.012 110 T CB 1.348 70.220 68.868 0.006 0.000 1.184 110 T HN 0.012 nan 8.240 nan 0.000 0.522 111 L N 0.911 122.111 121.223 -0.038 0.000 2.042 111 L HA 0.114 4.474 4.340 0.033 0.000 0.210 111 L C 2.835 179.652 176.870 -0.089 0.000 1.076 111 L CA 1.863 56.623 54.840 -0.133 0.000 0.749 111 L CB -0.917 40.931 42.059 -0.352 0.000 0.893 111 L HN 0.873 nan 8.230 nan 0.000 0.432 112 R N -0.698 119.762 120.500 -0.067 0.000 2.080 112 R HA -0.197 4.163 4.340 0.033 0.000 0.236 112 R C 2.267 178.552 176.300 -0.025 0.000 1.137 112 R CA 1.739 57.813 56.100 -0.044 0.000 0.943 112 R CB -0.326 29.955 30.300 -0.031 0.000 0.846 112 R HN 0.430 nan 8.270 nan 0.000 0.431 113 E N -0.234 119.956 120.200 -0.016 0.000 2.033 113 E HA -0.195 4.174 4.350 0.033 0.000 0.199 113 E C 1.937 178.533 176.600 -0.007 0.000 1.011 113 E CA 2.160 58.557 56.400 -0.006 0.000 0.815 113 E CB -0.358 29.343 29.700 0.001 0.000 0.755 113 E HN 0.396 nan 8.360 nan 0.000 0.451 114 T N 1.172 115.721 114.554 -0.009 0.000 2.665 114 T HA -0.184 4.186 4.350 0.033 0.000 0.268 114 T C 1.682 176.376 174.700 -0.011 0.000 1.035 114 T CA 1.730 63.825 62.100 -0.007 0.000 1.151 114 T CB -0.414 68.456 68.868 0.004 0.000 0.862 114 T HN 0.289 nan 8.240 nan 0.000 0.438 115 N N 0.190 118.878 118.700 -0.020 0.000 2.120 115 N HA -0.076 4.683 4.740 0.033 0.000 0.188 115 N C 2.048 177.555 175.510 -0.006 0.000 1.024 115 N CA 0.875 53.916 53.050 -0.016 0.000 0.852 115 N CB -0.029 38.441 38.487 -0.029 0.000 1.003 115 N HN 0.361 nan 8.380 nan 0.000 0.424 116 K N 1.061 121.457 120.400 -0.005 0.000 2.001 116 K HA -0.135 4.205 4.320 0.033 0.000 0.214 116 K C 2.049 178.653 176.600 0.005 0.000 1.050 116 K CA 1.209 57.498 56.287 0.003 0.000 0.934 116 K CB -0.245 32.259 32.500 0.005 0.000 0.718 116 K HN 0.186 nan 8.250 nan 0.000 0.443 117 I N 1.047 121.616 120.570 -0.003 0.000 2.194 117 I HA -0.306 3.883 4.170 0.033 0.000 0.246 117 I C 2.430 178.526 176.117 -0.034 0.000 1.093 117 I CA 0.803 62.094 61.300 -0.015 0.000 1.355 117 I CB -0.352 37.633 38.000 -0.025 0.000 1.046 117 I HN 0.170 nan 8.210 nan 0.000 0.413 118 L N 0.976 122.184 121.223 -0.025 0.000 2.046 118 L HA -0.236 4.124 4.340 0.033 0.000 0.208 118 L C 2.053 178.913 176.870 -0.017 0.000 1.077 118 L CA 2.006 56.829 54.840 -0.028 0.000 0.747 118 L CB -0.832 41.226 42.059 -0.001 0.000 0.896 118 L HN 0.185 nan 8.230 nan 0.000 0.432 119 D N 0.089 120.492 120.400 0.005 0.000 2.149 119 D HA -0.224 4.435 4.640 0.033 0.000 0.198 119 D C 2.262 178.583 176.300 0.035 0.000 0.990 119 D CA 1.890 55.903 54.000 0.020 0.000 0.839 119 D CB -0.011 40.803 40.800 0.024 0.000 0.948 119 D HN 0.508 nan 8.370 nan 0.000 0.460 120 K N 1.117 121.544 120.400 0.046 0.000 2.020 120 K HA -0.145 4.194 4.320 0.033 0.000 0.212 120 K C 2.417 179.119 176.600 0.170 0.000 1.050 120 K CA 1.927 58.287 56.287 0.122 0.000 0.929 120 K CB -1.569 31.022 32.500 0.152 0.000 0.714 120 K HN 0.270 nan 8.250 nan 0.000 0.443 121 V N -1.465 118.459 119.914 0.016 0.000 2.548 121 V HA -0.112 4.028 4.120 0.033 0.000 0.249 121 V C 2.245 178.339 176.094 -0.001 0.000 1.055 121 V CA 1.703 63.987 62.300 -0.026 0.000 1.065 121 V CB -0.350 31.302 31.823 -0.286 0.000 0.681 121 V HN 0.241 nan 8.190 nan 0.000 0.462 122 V N 1.261 121.159 119.914 -0.026 0.000 2.332 122 V HA -0.197 3.943 4.120 0.033 0.000 0.248 122 V C 3.337 179.442 176.094 0.019 0.000 1.055 122 V CA 2.746 65.030 62.300 -0.025 0.000 1.038 122 V CB -1.479 30.345 31.823 0.001 0.000 0.651 122 V HN 0.796 nan 8.190 nan 0.000 0.450 123 E N 0.337 120.561 120.200 0.041 0.000 2.051 123 E HA -0.314 4.055 4.350 0.033 0.000 0.192 123 E C 2.238 178.854 176.600 0.026 0.000 0.991 123 E CA 1.807 58.229 56.400 0.036 0.000 0.799 123 E CB -0.656 29.067 29.700 0.038 0.000 0.748 123 E HN 0.641 nan 8.360 nan 0.000 0.449 124 R N -0.360 120.181 120.500 0.069 0.000 2.096 124 R HA 0.012 4.372 4.340 0.033 0.000 0.235 124 R C 2.460 178.756 176.300 -0.006 0.000 1.127 124 R CA 1.413 57.537 56.100 0.040 0.000 0.968 124 R CB -0.456 29.945 30.300 0.168 0.000 0.861 124 R HN 0.503 nan 8.270 nan 0.000 0.440 125 I N 0.606 121.193 120.570 0.028 0.000 2.286 125 I HA -0.267 3.922 4.170 0.033 0.000 0.248 125 I C 2.513 178.648 176.117 0.030 0.000 1.115 125 I CA 1.273 62.609 61.300 0.060 0.000 1.392 125 I CB -0.259 37.760 38.000 0.032 0.000 1.065 125 I HN 0.225 nan 8.210 nan 0.000 0.418 126 K N 1.051 121.463 120.400 0.020 0.000 2.148 126 K HA -0.175 4.165 4.320 0.033 0.000 0.204 126 K C 1.870 178.441 176.600 -0.048 0.000 1.050 126 K CA 1.282 57.581 56.287 0.020 0.000 0.942 126 K CB 0.114 32.634 32.500 0.034 0.000 0.724 126 K HN 0.346 nan 8.250 nan 0.000 0.446 127 E N -0.282 119.865 120.200 -0.090 0.000 2.017 127 E HA -0.218 4.152 4.350 0.033 0.000 0.193 127 E C 2.397 178.863 176.600 -0.223 0.000 0.997 127 E CA 1.770 58.095 56.400 -0.125 0.000 0.804 127 E CB -0.207 29.421 29.700 -0.120 0.000 0.757 127 E HN 0.307 nan 8.360 nan 0.000 0.448 128 R N 0.986 121.255 120.500 -0.386 0.000 2.159 128 R HA -0.104 4.255 4.340 0.033 0.000 0.237 128 R C 1.881 177.715 176.300 -0.776 0.000 1.131 128 R CA 1.810 57.482 56.100 -0.713 0.000 0.982 128 R CB -1.199 28.390 30.300 -1.185 0.000 0.868 128 R HN 0.195 nan 8.270 nan 0.000 0.453 129 M N 0.404 119.729 119.600 -0.458 0.000 2.059 129 M HA -0.139 4.361 4.480 0.033 0.000 0.259 129 M C 3.056 179.340 176.300 -0.027 0.000 1.072 129 M CA 2.641 57.910 55.300 -0.050 0.000 1.117 129 M CB -0.243 32.441 32.600 0.140 0.000 1.320 129 M HN 0.505 nan 8.290 nan 0.000 0.408 130 K N 0.324 120.697 120.400 -0.045 0.000 2.209 130 K HA -0.112 4.228 4.320 0.033 0.000 0.204 130 K C 1.335 177.908 176.600 -0.045 0.000 1.048 130 K CA 2.122 58.394 56.287 -0.025 0.000 0.940 130 K CB -2.186 30.301 32.500 -0.022 0.000 0.729 130 K HN 0.731 nan 8.250 nan 0.000 0.451 131 D N -0.339 120.004 120.400 -0.094 0.000 2.317 131 D HA 0.131 4.790 4.640 0.033 0.000 0.211 131 D C 1.541 177.805 176.300 -0.060 0.000 0.966 131 D CA 1.183 55.130 54.000 -0.088 0.000 0.876 131 D CB 0.063 40.784 40.800 -0.132 0.000 0.927 131 D HN 0.518 nan 8.370 nan 0.000 0.519 132 S N -2.508 113.162 115.700 -0.050 0.000 2.795 132 S HA 0.529 5.018 4.470 0.033 0.000 0.308 132 S C 1.253 175.886 174.600 0.055 0.000 1.098 132 S CA 0.698 58.915 58.200 0.028 0.000 0.934 132 S CB 1.164 64.430 63.200 0.110 0.000 1.300 132 S HN 0.571 nan 8.310 nan 0.000 0.566 133 N N -0.542 118.207 118.700 0.081 0.000 2.171 133 N HA 0.340 5.100 4.740 0.033 0.000 0.212 133 N C 0.334 175.864 175.510 0.034 0.000 1.184 133 N CA 0.460 53.537 53.050 0.045 0.000 0.888 133 N CB 0.224 38.726 38.487 0.026 0.000 1.038 133 N HN 0.730 nan 8.380 nan 0.000 0.517 134 V N 0.082 120.065 119.914 0.115 0.000 2.740 134 V HA 0.443 4.582 4.120 0.033 0.000 0.303 134 V C -0.212 175.967 176.094 0.143 0.000 1.054 134 V CA -0.359 62.002 62.300 0.101 0.000 1.106 134 V CB 0.566 32.463 31.823 0.124 0.000 0.957 134 V HN 0.450 nan 8.190 nan 0.000 0.486 135 K N 4.048 124.481 120.400 0.055 0.000 2.378 135 K HA 0.655 4.995 4.320 0.033 0.000 0.244 135 K C -1.372 175.383 176.600 0.258 0.000 1.039 135 K CA -1.116 55.249 56.287 0.130 0.000 0.863 135 K CB 1.960 34.420 32.500 -0.067 0.000 1.326 135 K HN 0.627 nan 8.250 nan 0.000 0.460 136 L N 2.697 124.028 121.223 0.181 0.000 2.261 136 L HA 0.137 4.496 4.340 0.033 0.000 0.289 136 L C 0.464 177.380 176.870 0.077 0.000 1.059 136 L CA -0.199 54.593 54.840 -0.081 0.000 0.816 136 L CB 0.699 42.771 42.059 0.021 0.000 1.191 136 L HN 0.699 nan 8.230 nan 0.000 0.431 137 L N 6.747 127.965 121.223 -0.008 0.000 1.993 137 L HA 0.172 4.532 4.340 0.033 0.000 0.206 137 L C 0.019 176.925 176.870 0.060 0.000 1.074 137 L CA 1.459 56.289 54.840 -0.018 0.000 0.746 137 L CB -0.230 41.670 42.059 -0.265 0.000 0.896 137 L HN 0.712 nan 8.230 nan 0.000 0.435 138 W N -1.915 119.331 121.300 -0.090 0.000 3.167 138 W HA 0.653 5.332 4.660 0.032 0.000 0.324 138 W C -0.464 175.893 176.519 -0.271 0.000 1.230 138 W CA -0.885 56.399 57.345 -0.102 0.000 1.184 138 W CB 0.286 29.695 29.460 -0.086 0.000 1.414 138 W HN 0.182 nan 8.180 nan 0.000 0.551 139 G N 0.279 109.120 108.800 0.068 0.000 2.568 139 G HA2 0.632 4.612 3.960 0.033 0.000 0.313 139 G HA3 0.632 4.612 3.960 0.033 0.000 0.313 139 G C -1.415 173.243 174.900 -0.402 0.000 1.227 139 G CA -0.747 44.118 45.100 -0.390 0.000 0.979 139 G HN 0.647 nan 8.290 nan 0.000 0.486 140 T N -1.840 112.390 114.554 -0.539 0.000 2.886 140 T HA 0.597 4.967 4.350 0.033 0.000 0.330 140 T C -1.023 173.545 174.700 -0.220 0.000 1.488 140 T CA 0.196 61.910 62.100 -0.642 0.000 1.054 140 T CB 1.232 69.832 68.868 -0.446 0.000 1.348 140 T HN 1.412 nan 8.240 nan 0.000 0.489 141 A N 3.176 125.921 122.820 -0.126 0.000 2.301 141 A HA 0.613 4.952 4.320 0.033 0.000 0.298 141 A C 0.255 177.832 177.584 -0.012 0.000 1.185 141 A CA -0.614 51.433 52.037 0.017 0.000 0.830 141 A CB 0.344 19.391 19.000 0.079 0.000 1.112 141 A HN 0.728 nan 8.150 nan 0.000 0.508 142 N N 2.967 121.602 118.700 -0.107 0.000 2.415 142 N HA 0.157 4.917 4.740 0.033 0.000 0.250 142 N C -0.532 174.688 175.510 -0.484 0.000 1.127 142 N CA 0.035 52.802 53.050 -0.470 0.000 0.945 142 N CB 0.132 38.224 38.487 -0.659 0.000 1.196 142 N HN 0.594 nan 8.380 nan 0.000 0.499 143 L N 4.605 125.541 121.223 -0.478 0.000 3.094 143 L HA 0.265 4.624 4.340 0.033 0.000 0.254 143 L C 0.099 176.545 176.870 -0.707 0.000 1.298 143 L CA -0.205 54.144 54.840 -0.819 0.000 1.050 143 L CB -0.468 41.164 42.059 -0.712 0.000 1.420 143 L HN 0.509 nan 8.230 nan 0.000 0.548 144 F N -5.643 114.138 119.950 -0.280 0.000 2.839 144 F HA 0.275 4.822 4.527 0.033 0.000 0.355 144 F C 1.733 177.541 175.800 0.013 0.000 0.904 144 F CA -0.187 57.724 58.000 -0.149 0.000 1.098 144 F CB -0.223 38.638 39.000 -0.232 0.000 0.982 144 F HN -0.187 nan 8.300 nan 0.000 0.600 145 S N -0.207 115.282 115.700 -0.352 0.000 2.357 145 S HA -0.109 4.381 4.470 0.033 0.000 0.221 145 S C 0.763 175.365 174.600 0.004 0.000 1.031 145 S CA 0.728 58.873 58.200 -0.092 0.000 0.982 145 S CB -0.653 62.418 63.200 -0.215 0.000 0.853 145 S HN 0.511 nan 8.310 nan 0.000 0.458 146 H N 2.434 121.465 119.070 -0.065 0.000 2.803 146 H HA 0.076 4.649 4.556 0.029 0.000 0.330 146 H C -2.037 173.196 175.328 -0.158 0.000 1.057 146 H CA -1.480 54.493 56.048 -0.125 0.000 1.458 146 H CB 1.041 30.673 29.762 -0.217 0.000 1.470 146 H HN -0.024 nan 8.280 nan 0.000 0.560 147 P HA -0.255 nan 4.420 nan 0.000 0.218 147 P C 1.576 178.633 177.300 -0.404 0.000 1.150 147 P CA 1.595 64.408 63.100 -0.479 0.000 0.841 147 P CB -0.094 31.298 31.700 -0.513 0.000 0.784 148 R N -0.979 119.222 120.500 -0.497 0.000 2.185 148 R HA -0.199 4.160 4.340 0.033 0.000 0.247 148 R C 0.898 176.966 176.300 -0.386 0.000 1.159 148 R CA 1.565 57.429 56.100 -0.392 0.000 0.988 148 R CB -0.530 29.494 30.300 -0.460 0.000 0.871 148 R HN 0.221 nan 8.270 nan 0.000 0.458 149 Y N 0.713 120.952 120.300 -0.102 0.000 2.493 149 Y HA 0.095 4.664 4.550 0.032 0.000 0.275 149 Y C 1.768 177.595 175.900 -0.122 0.000 1.183 149 Y CA -0.056 57.989 58.100 -0.093 0.000 1.258 149 Y CB -0.313 38.091 38.460 -0.093 0.000 1.108 149 Y HN 0.124 nan 8.280 nan 0.000 0.521 150 M N -1.432 118.112 119.600 -0.092 0.000 2.260 150 M HA -0.187 4.312 4.480 0.033 0.000 0.261 150 M C 0.459 176.600 176.300 -0.265 0.000 1.066 150 M CA 2.021 57.187 55.300 -0.223 0.000 1.082 150 M CB -0.341 32.036 32.600 -0.372 0.000 1.388 150 M HN 0.182 nan 8.290 nan 0.000 0.419 151 H N 0.887 119.977 119.070 0.033 0.000 2.505 151 H HA 0.548 5.125 4.556 0.034 0.000 0.286 151 H C 1.017 176.372 175.328 0.046 0.000 1.072 151 H CA 0.637 56.709 56.048 0.040 0.000 1.141 151 H CB 0.013 29.807 29.762 0.054 0.000 1.550 151 H HN 0.636 nan 8.280 nan 0.000 0.547 152 G N -0.144 108.722 108.800 0.110 0.000 2.525 152 G HA2 0.033 4.012 3.960 0.033 0.000 0.685 152 G HA3 0.033 4.012 3.960 0.033 0.000 0.685 152 G C 0.139 175.098 174.900 0.097 0.000 1.290 152 G CA -0.166 44.958 45.100 0.039 0.000 0.915 152 G HN 0.443 nan 8.290 nan 0.000 0.548 153 A N -0.645 122.124 122.820 -0.086 0.000 2.417 153 A HA 0.853 5.192 4.320 0.033 0.000 0.224 153 A C 2.665 180.118 177.584 -0.218 0.000 2.273 153 A CA 2.067 54.019 52.037 -0.141 0.000 1.018 153 A CB -0.939 17.739 19.000 -0.537 0.000 1.400 153 A HN 2.487 nan 8.150 nan 0.000 0.580 154 A N -0.162 122.324 122.820 -0.556 0.000 2.019 154 A HA 0.009 4.348 4.320 0.033 0.000 0.219 154 A C 1.913 179.483 177.584 -0.022 0.000 1.164 154 A CA 2.285 54.000 52.037 -0.537 0.000 0.644 154 A CB -1.100 17.396 19.000 -0.839 0.000 0.805 154 A HN 0.913 nan 8.150 nan 0.000 0.449 155 T N -3.367 111.169 114.554 -0.030 0.000 3.186 155 T HA 0.254 4.624 4.350 0.033 0.000 0.257 155 T C 0.579 175.365 174.700 0.143 0.000 1.029 155 T CA 0.453 62.602 62.100 0.081 0.000 0.916 155 T CB -0.563 68.392 68.868 0.145 0.000 1.041 155 T HN 0.218 nan 8.240 nan 0.000 0.562 156 T N 0.670 115.325 114.554 0.168 0.000 2.766 156 T HA 0.164 4.534 4.350 0.033 0.000 0.295 156 T C 1.566 176.394 174.700 0.213 0.000 1.024 156 T CA -0.040 62.186 62.100 0.210 0.000 1.018 156 T CB 0.324 69.333 68.868 0.236 0.000 1.002 156 T HN 0.626 nan 8.240 nan 0.000 0.532 157 C N 1.272 120.670 119.300 0.163 0.000 2.791 157 C HA 0.550 5.029 4.460 0.033 0.000 0.270 157 C C 1.107 176.172 174.990 0.125 0.000 1.257 157 C CA -0.613 58.481 59.018 0.127 0.000 1.699 157 C CB -1.526 26.204 27.740 -0.017 0.000 1.904 157 C HN 0.628 nan 8.230 nan 0.000 0.603 158 S N 0.470 116.263 115.700 0.155 0.000 2.474 158 S HA 0.644 5.133 4.470 0.033 0.000 0.321 158 S C 1.037 175.750 174.600 0.189 0.000 1.080 158 S CA 0.303 58.589 58.200 0.143 0.000 1.106 158 S CB 1.240 64.516 63.200 0.128 0.000 0.984 158 S HN 0.617 nan 8.310 nan 0.000 0.464 159 A N 4.225 127.140 122.820 0.158 0.000 2.019 159 A HA -0.064 4.275 4.320 0.033 0.000 0.219 159 A C 1.697 179.412 177.584 0.217 0.000 1.164 159 A CA 1.759 53.898 52.037 0.169 0.000 0.644 159 A CB -0.575 18.476 19.000 0.086 0.000 0.805 159 A HN 0.821 nan 8.150 nan 0.000 0.449 160 D N -0.284 120.219 120.400 0.171 0.000 2.097 160 D HA -0.105 4.555 4.640 0.033 0.000 0.195 160 D C 2.061 178.497 176.300 0.226 0.000 0.989 160 D CA 1.416 55.519 54.000 0.171 0.000 0.827 160 D CB -0.399 40.474 40.800 0.122 0.000 0.966 160 D HN 0.211 nan 8.370 nan 0.000 0.456 161 V N 0.808 120.846 119.914 0.208 0.000 2.343 161 V HA -0.233 3.906 4.120 0.033 0.000 0.247 161 V C 2.168 178.465 176.094 0.338 0.000 1.051 161 V CA 1.232 63.657 62.300 0.209 0.000 1.036 161 V CB -0.561 31.352 31.823 0.150 0.000 0.654 161 V HN 0.097 nan 8.190 nan 0.000 0.451 162 F N 1.402 121.477 119.950 0.208 0.000 2.095 162 F HA -0.236 4.311 4.527 0.033 0.000 0.298 162 F C 2.285 178.258 175.800 0.288 0.000 1.104 162 F CA 1.636 59.783 58.000 0.244 0.000 1.232 162 F CB -0.581 38.531 39.000 0.188 0.000 0.987 162 F HN 0.087 nan 8.300 nan 0.000 0.475 163 A N -0.583 122.536 122.820 0.497 0.000 1.858 163 A HA -0.269 4.070 4.320 0.033 0.000 0.216 163 A C 2.124 179.852 177.584 0.239 0.000 1.190 163 A CA 1.760 53.996 52.037 0.331 0.000 0.617 163 A CB -1.746 17.393 19.000 0.231 0.000 0.827 163 A HN 0.582 nan 8.150 nan 0.000 0.443 164 Y N 0.705 121.089 120.300 0.139 0.000 2.128 164 Y HA -0.187 4.382 4.550 0.032 0.000 0.284 164 Y C 2.740 178.729 175.900 0.149 0.000 1.154 164 Y CA 1.331 59.490 58.100 0.098 0.000 1.149 164 Y CB -0.748 37.740 38.460 0.046 0.000 0.976 164 Y HN 0.317 nan 8.280 nan 0.000 0.505 165 A N 0.185 123.325 122.820 0.534 0.000 1.908 165 A HA -0.141 4.198 4.320 0.033 0.000 0.218 165 A C 2.457 180.267 177.584 0.376 0.000 1.181 165 A CA 2.123 54.435 52.037 0.459 0.000 0.627 165 A CB -1.506 17.655 19.000 0.267 0.000 0.818 165 A HN 0.593 nan 8.150 nan 0.000 0.445 166 A N -0.242 122.720 122.820 0.236 0.000 1.902 166 A HA 0.175 4.514 4.320 0.033 0.000 0.217 166 A C 2.502 180.019 177.584 -0.113 0.000 1.181 166 A CA 2.063 54.041 52.037 -0.098 0.000 0.623 166 A CB -0.979 17.931 19.000 -0.150 0.000 0.818 166 A HN 1.049 nan 8.150 nan 0.000 0.443 167 A N -0.805 121.974 122.820 -0.069 0.000 1.902 167 A HA -0.215 4.125 4.320 0.033 0.000 0.217 167 A C 2.213 179.719 177.584 -0.131 0.000 1.181 167 A CA 1.812 53.758 52.037 -0.152 0.000 0.623 167 A CB -0.596 18.279 19.000 -0.209 0.000 0.818 167 A HN 0.660 nan 8.150 nan 0.000 0.443 168 Q N -0.328 119.445 119.800 -0.044 0.000 2.084 168 Q HA -0.121 4.239 4.340 0.033 0.000 0.202 168 Q C 1.924 177.947 176.000 0.037 0.000 0.978 168 Q CA 1.873 57.695 55.803 0.032 0.000 0.844 168 Q CB -0.190 28.680 28.738 0.219 0.000 0.898 168 Q HN 0.383 nan 8.270 nan 0.000 0.426 169 V N 1.363 121.311 119.914 0.058 0.000 2.407 169 V HA -0.267 3.873 4.120 0.033 0.000 0.248 169 V C 2.391 178.413 176.094 -0.120 0.000 1.055 169 V CA 2.100 64.414 62.300 0.023 0.000 1.049 169 V CB -0.606 31.285 31.823 0.113 0.000 0.662 169 V HN 0.408 nan 8.190 nan 0.000 0.455 170 K N 0.484 120.783 120.400 -0.169 0.000 2.009 170 K HA -0.305 4.035 4.320 0.033 0.000 0.210 170 K C 2.269 178.812 176.600 -0.095 0.000 1.049 170 K CA 2.151 58.293 56.287 -0.241 0.000 0.929 170 K CB -0.199 32.038 32.500 -0.438 0.000 0.714 170 K HN 0.235 nan 8.250 nan 0.000 0.440 171 K N 0.726 121.079 120.400 -0.079 0.000 2.032 171 K HA -0.090 4.250 4.320 0.033 0.000 0.209 171 K C 1.823 178.424 176.600 0.002 0.000 1.048 171 K CA 1.783 58.056 56.287 -0.022 0.000 0.927 171 K CB -0.713 31.775 32.500 -0.021 0.000 0.712 171 K HN 0.305 nan 8.250 nan 0.000 0.441 172 A N 0.654 123.474 122.820 -0.001 0.000 1.908 172 A HA -0.147 4.192 4.320 0.033 0.000 0.218 172 A C 2.327 179.860 177.584 -0.086 0.000 1.181 172 A CA 1.727 53.792 52.037 0.046 0.000 0.627 172 A CB -0.744 18.345 19.000 0.150 0.000 0.818 172 A HN 0.348 nan 8.150 nan 0.000 0.445 173 L N -0.930 120.094 121.223 -0.332 0.000 2.046 173 L HA -0.220 4.140 4.340 0.033 0.000 0.208 173 L C 2.669 179.370 176.870 -0.283 0.000 1.077 173 L CA 1.699 56.205 54.840 -0.556 0.000 0.747 173 L CB -0.507 41.260 42.059 -0.488 0.000 0.896 173 L HN 0.526 nan 8.230 nan 0.000 0.432 174 E N 0.376 120.532 120.200 -0.072 0.000 2.017 174 E HA -0.264 4.106 4.350 0.033 0.000 0.193 174 E C 2.148 178.774 176.600 0.044 0.000 0.997 174 E CA 1.839 58.246 56.400 0.012 0.000 0.804 174 E CB -0.259 29.480 29.700 0.066 0.000 0.757 174 E HN 0.602 nan 8.360 nan 0.000 0.448 175 I N -0.642 119.973 120.570 0.076 0.000 2.567 175 I HA -0.166 4.024 4.170 0.033 0.000 0.257 175 I C 1.940 178.176 176.117 0.199 0.000 1.184 175 I CA 1.233 62.617 61.300 0.140 0.000 1.451 175 I CB -0.336 37.769 38.000 0.175 0.000 1.089 175 I HN -0.059 nan 8.210 nan 0.000 0.441 176 T N 1.256 115.904 114.554 0.158 0.000 2.812 176 T HA -0.148 4.222 4.350 0.033 0.000 0.264 176 T C 1.873 176.731 174.700 0.265 0.000 1.042 176 T CA 1.687 63.913 62.100 0.210 0.000 1.140 176 T CB -0.178 68.778 68.868 0.146 0.000 0.870 176 T HN 0.416 nan 8.240 nan 0.000 0.445 177 K N 0.975 121.499 120.400 0.207 0.000 2.097 177 K HA -0.114 4.225 4.320 0.033 0.000 0.206 177 K C 2.255 178.988 176.600 0.222 0.000 1.049 177 K CA 1.345 57.837 56.287 0.341 0.000 0.933 177 K CB -0.052 32.629 32.500 0.302 0.000 0.717 177 K HN 0.362 nan 8.250 nan 0.000 0.442 178 E N 0.437 120.736 120.200 0.166 0.000 2.072 178 E HA -0.120 4.249 4.350 0.033 0.000 0.191 178 E C 1.702 178.392 176.600 0.151 0.000 0.985 178 E CA 0.858 57.339 56.400 0.134 0.000 0.801 178 E CB 0.078 29.843 29.700 0.110 0.000 0.750 178 E HN 0.315 nan 8.360 nan 0.000 0.452 179 L N -0.344 120.993 121.223 0.190 0.000 2.599 179 L HA 0.138 4.498 4.340 0.033 0.000 0.230 179 L C 1.133 178.128 176.870 0.209 0.000 1.141 179 L CA 0.356 55.320 54.840 0.207 0.000 0.877 179 L CB -0.073 42.144 42.059 0.262 0.000 1.009 179 L HN 0.328 nan 8.230 nan 0.000 0.447 180 G N 0.654 109.576 108.800 0.204 0.000 2.225 180 G HA2 -0.221 3.758 3.960 0.033 0.000 0.264 180 G HA3 -0.221 3.758 3.960 0.033 0.000 0.264 180 G C 0.558 175.583 174.900 0.209 0.000 1.060 180 G CA -0.059 45.153 45.100 0.187 0.000 0.833 180 G HN 0.522 nan 8.290 nan 0.000 0.498 181 G N -0.959 108.003 108.800 0.270 0.000 2.491 181 G HA2 0.439 4.418 3.960 0.033 0.000 0.238 181 G HA3 0.439 4.418 3.960 0.033 0.000 0.238 181 G C 0.715 175.770 174.900 0.257 0.000 1.277 181 G CA 0.307 45.572 45.100 0.274 0.000 0.851 181 G HN 0.467 nan 8.290 nan 0.000 0.573 182 E N 0.642 120.974 120.200 0.219 0.000 2.299 182 E HA 0.139 4.508 4.350 0.033 0.000 0.193 182 E C 1.311 178.027 176.600 0.194 0.000 0.998 182 E CA 0.605 57.100 56.400 0.158 0.000 0.851 182 E CB 0.363 30.137 29.700 0.124 0.000 0.795 182 E HN 0.565 nan 8.360 nan 0.000 0.492 183 G N -0.412 108.587 108.800 0.331 0.000 2.682 183 G HA2 0.393 4.373 3.960 0.033 0.000 0.290 183 G HA3 0.393 4.373 3.960 0.033 0.000 0.290 183 G C -2.223 172.977 174.900 0.500 0.000 1.425 183 G CA -0.653 44.686 45.100 0.398 0.000 0.807 183 G HN 0.046 nan 8.290 nan 0.000 0.482 184 Y N 0.497 120.960 120.300 0.273 0.000 2.373 184 Y HA 0.619 5.188 4.550 0.032 0.000 0.336 184 Y C -0.696 175.042 175.900 -0.271 0.000 0.979 184 Y CA -0.757 57.325 58.100 -0.030 0.000 1.080 184 Y CB 2.051 40.404 38.460 -0.179 0.000 1.190 184 Y HN 0.431 nan 8.280 nan 0.000 0.446 185 V N 6.745 126.099 119.914 -0.933 0.000 2.612 185 V HA 0.396 4.536 4.120 0.033 0.000 0.301 185 V C -0.956 174.619 176.094 -0.865 0.000 1.046 185 V CA -0.579 61.234 62.300 -0.812 0.000 0.946 185 V CB 1.395 32.492 31.823 -1.210 0.000 1.003 185 V HN 0.620 nan 8.190 nan 0.000 0.459 186 F N 3.121 122.922 119.950 -0.249 0.000 2.403 186 F HA 0.396 4.943 4.527 0.033 0.000 0.355 186 F C -0.565 175.233 175.800 -0.004 0.000 1.119 186 F CA -0.365 57.575 58.000 -0.099 0.000 1.007 186 F CB 1.298 40.299 39.000 0.001 0.000 1.194 186 F HN 0.572 nan 8.300 nan 0.000 0.443 187 W N 4.458 125.731 121.300 -0.044 0.000 2.296 187 W HA 0.590 5.268 4.660 0.030 0.000 0.316 187 W C 0.311 176.780 176.519 -0.083 0.000 1.022 187 W CA -1.773 55.528 57.345 -0.073 0.000 1.324 187 W CB 1.619 31.006 29.460 -0.121 0.000 1.227 187 W HN 0.594 nan 8.180 nan 0.000 0.409 188 G N 3.861 112.321 108.800 -0.568 0.000 3.284 188 G HA2 0.224 4.203 3.960 0.033 0.000 0.251 188 G HA3 0.224 4.203 3.960 0.033 0.000 0.251 188 G C 1.107 175.371 174.900 -1.059 0.000 0.913 188 G CA 0.143 44.860 45.100 -0.638 0.000 1.947 188 G HN 0.857 nan 8.290 nan 0.000 0.635 189 G N 1.246 109.027 108.800 -1.698 0.000 2.507 189 G HA2 -0.226 3.753 3.960 0.033 0.000 0.221 189 G HA3 -0.226 3.753 3.960 0.033 0.000 0.221 189 G C 1.653 176.024 174.900 -0.881 0.000 1.119 189 G CA 0.299 44.206 45.100 -1.987 0.000 0.751 189 G HN 0.463 nan 8.290 nan 0.000 0.574 190 R N 0.235 120.396 120.500 -0.565 0.000 2.508 190 R HA 0.136 4.496 4.340 0.033 0.000 0.300 190 R C -0.237 175.867 176.300 -0.326 0.000 0.970 190 R CA -0.069 55.828 56.100 -0.337 0.000 1.102 190 R CB 0.599 30.797 30.300 -0.170 0.000 1.246 190 R HN 0.328 nan 8.270 nan 0.000 0.539 191 E N 1.587 121.536 120.200 -0.418 0.000 1.932 191 E HA 0.364 4.734 4.350 0.033 0.000 0.259 191 E C 0.425 176.667 176.600 -0.597 0.000 1.099 191 E CA -0.109 56.088 56.400 -0.338 0.000 0.970 191 E CB 0.920 30.452 29.700 -0.279 0.000 1.143 191 E HN 0.339 nan 8.360 nan 0.000 0.441 192 G N 1.470 109.817 108.800 -0.755 0.000 2.450 192 G HA2 0.369 4.348 3.960 0.033 0.000 0.273 192 G HA3 0.369 4.348 3.960 0.033 0.000 0.273 192 G C -1.750 172.816 174.900 -0.558 0.000 1.221 192 G CA -0.599 43.760 45.100 -1.236 0.000 0.900 192 G HN 0.287 nan 8.290 nan 0.000 0.483 193 Y N -1.593 118.516 120.300 -0.319 0.000 2.597 193 Y HA 0.837 5.407 4.550 0.032 0.000 0.340 193 Y C 0.404 176.278 175.900 -0.042 0.000 1.097 193 Y CA -0.726 57.318 58.100 -0.093 0.000 1.037 193 Y CB 1.814 40.283 38.460 0.015 0.000 1.305 193 Y HN 0.670 nan 8.280 nan 0.000 0.463 194 E N 0.293 120.660 120.200 0.279 0.000 2.372 194 E HA 0.176 4.545 4.350 0.033 0.000 0.201 194 E C -0.474 176.296 176.600 0.284 0.000 0.938 194 E CA 0.549 57.064 56.400 0.192 0.000 0.944 194 E CB 0.692 30.447 29.700 0.092 0.000 0.937 194 E HN 0.736 nan 8.360 nan 0.000 0.495 195 T N -0.849 113.875 114.554 0.284 0.000 2.982 195 T HA 0.273 4.642 4.350 0.033 0.000 0.321 195 T C 0.300 174.919 174.700 -0.134 0.000 1.229 195 T CA -0.640 61.522 62.100 0.103 0.000 1.044 195 T CB 1.250 70.148 68.868 0.050 0.000 1.184 195 T HN 0.093 nan 8.240 nan 0.000 0.477 196 L N 3.963 124.991 121.223 -0.324 0.000 2.313 196 L HA 0.127 4.487 4.340 0.033 0.000 0.214 196 L C 2.351 179.110 176.870 -0.185 0.000 1.119 196 L CA 0.616 55.206 54.840 -0.416 0.000 0.809 196 L CB -0.241 41.569 42.059 -0.415 0.000 0.933 196 L HN 0.678 nan 8.230 nan 0.000 0.449 197 L N 0.433 121.592 121.223 -0.107 0.000 2.081 197 L HA -0.245 4.114 4.340 0.033 0.000 0.212 197 L C 1.748 178.588 176.870 -0.050 0.000 1.080 197 L CA 1.910 56.712 54.840 -0.062 0.000 0.754 197 L CB -0.592 41.446 42.059 -0.035 0.000 0.893 197 L HN 0.606 nan 8.230 nan 0.000 0.433 198 N N -1.959 116.718 118.700 -0.039 0.000 2.238 198 N HA 0.026 4.785 4.740 0.033 0.000 0.222 198 N C -0.301 175.199 175.510 -0.016 0.000 1.133 198 N CA -0.193 52.842 53.050 -0.025 0.000 0.854 198 N CB 0.485 38.966 38.487 -0.010 0.000 1.041 198 N HN 0.023 nan 8.380 nan 0.000 0.510 199 T N 0.897 115.430 114.554 -0.035 0.000 2.770 199 T HA 0.069 4.439 4.350 0.033 0.000 0.283 199 T C -1.068 173.637 174.700 0.009 0.000 0.988 199 T CA -0.464 61.637 62.100 0.002 0.000 0.957 199 T CB 1.786 70.637 68.868 -0.028 0.000 0.930 199 T HN 0.056 nan 8.240 nan 0.000 0.443 200 D N 3.821 124.260 120.400 0.066 0.000 2.522 200 D HA 0.108 4.768 4.640 0.033 0.000 0.218 200 D C 1.179 177.553 176.300 0.123 0.000 1.149 200 D CA -0.685 53.362 54.000 0.078 0.000 0.981 200 D CB 0.361 41.214 40.800 0.089 0.000 1.041 200 D HN 0.262 nan 8.370 nan 0.000 0.518 201 L N 3.958 125.222 121.223 0.068 0.000 1.997 201 L HA -0.109 4.251 4.340 0.033 0.000 0.216 201 L C 2.207 179.089 176.870 0.020 0.000 1.074 201 L CA 2.588 57.458 54.840 0.050 0.000 0.763 201 L CB -0.820 41.250 42.059 0.017 0.000 0.890 201 L HN 0.494 nan 8.230 nan 0.000 0.434 202 G N -1.678 107.157 108.800 0.058 0.000 2.440 202 G HA2 -0.368 3.612 3.960 0.033 0.000 0.218 202 G HA3 -0.368 3.612 3.960 0.033 0.000 0.218 202 G C 1.548 176.526 174.900 0.131 0.000 1.154 202 G CA 0.929 46.078 45.100 0.081 0.000 0.767 202 G HN 0.447 nan 8.290 nan 0.000 0.552 203 F N 1.662 121.619 119.950 0.012 0.000 2.075 203 F HA -0.007 4.540 4.527 0.032 0.000 0.297 203 F C 2.730 178.549 175.800 0.032 0.000 1.113 203 F CA 1.952 59.966 58.000 0.022 0.000 1.218 203 F CB -0.377 38.633 39.000 0.016 0.000 0.984 203 F HN 0.260 nan 8.300 nan 0.000 0.472 204 E N 0.254 120.470 120.200 0.026 0.000 2.085 204 E HA -0.243 4.126 4.350 0.033 0.000 0.194 204 E C 2.334 178.841 176.600 -0.155 0.000 0.994 204 E CA 1.657 58.023 56.400 -0.056 0.000 0.801 204 E CB -0.460 29.314 29.700 0.123 0.000 0.743 204 E HN 0.451 nan 8.360 nan 0.000 0.453 205 L N 0.980 122.087 121.223 -0.193 0.000 2.201 205 L HA -0.153 4.207 4.340 0.033 0.000 0.212 205 L C 2.335 179.197 176.870 -0.014 0.000 1.105 205 L CA 0.619 55.349 54.840 -0.183 0.000 0.775 205 L CB -0.237 41.748 42.059 -0.122 0.000 0.913 205 L HN 0.060 nan 8.230 nan 0.000 0.440 206 E N 0.069 120.241 120.200 -0.048 0.000 2.046 206 E HA -0.131 4.238 4.350 0.033 0.000 0.190 206 E C 1.923 178.472 176.600 -0.085 0.000 0.982 206 E CA 0.828 57.203 56.400 -0.042 0.000 0.800 206 E CB -0.339 29.344 29.700 -0.029 0.000 0.756 206 E HN 0.396 nan 8.360 nan 0.000 0.449 207 N N 1.039 119.622 118.700 -0.196 0.000 2.166 207 N HA -0.139 4.620 4.740 0.033 0.000 0.186 207 N C 1.850 177.477 175.510 0.195 0.000 1.019 207 N CA 0.468 53.493 53.050 -0.041 0.000 0.856 207 N CB -0.407 37.989 38.487 -0.152 0.000 0.993 207 N HN 0.087 nan 8.380 nan 0.000 0.426 208 L N 0.995 122.254 121.223 0.060 0.000 2.042 208 L HA -0.078 4.282 4.340 0.033 0.000 0.210 208 L C 2.000 178.981 176.870 0.186 0.000 1.076 208 L CA 1.748 56.617 54.840 0.049 0.000 0.749 208 L CB -1.024 40.956 42.059 -0.131 0.000 0.893 208 L HN 0.144 nan 8.230 nan 0.000 0.432 209 A N -0.644 122.283 122.820 0.178 0.000 1.898 209 A HA -0.184 4.156 4.320 0.033 0.000 0.216 209 A C 2.415 180.044 177.584 0.075 0.000 1.181 209 A CA 1.542 53.589 52.037 0.017 0.000 0.620 209 A CB -0.511 18.204 19.000 -0.475 0.000 0.819 209 A HN 0.489 nan 8.150 nan 0.000 0.442 210 R N -1.928 118.647 120.500 0.126 0.000 2.083 210 R HA -0.156 4.204 4.340 0.033 0.000 0.237 210 R C 1.986 178.441 176.300 0.259 0.000 1.137 210 R CA 1.756 57.960 56.100 0.174 0.000 0.951 210 R CB -0.529 29.880 30.300 0.182 0.000 0.851 210 R HN 0.582 nan 8.270 nan 0.000 0.434 211 F N 1.153 121.218 119.950 0.192 0.000 2.046 211 F HA -0.266 4.280 4.527 0.032 0.000 0.297 211 F C 1.990 177.820 175.800 0.051 0.000 1.123 211 F CA 1.376 59.428 58.000 0.087 0.000 1.199 211 F CB -0.291 38.658 39.000 -0.086 0.000 0.972 211 F HN -0.103 nan 8.300 nan 0.000 0.474 212 L N 0.938 122.341 121.223 0.299 0.000 1.997 212 L HA -0.276 4.083 4.340 0.033 0.000 0.216 212 L C 2.566 179.545 176.870 0.182 0.000 1.074 212 L CA 2.360 57.297 54.840 0.161 0.000 0.763 212 L CB -1.633 40.448 42.059 0.037 0.000 0.890 212 L HN 0.283 nan 8.230 nan 0.000 0.434 213 R N -1.038 119.537 120.500 0.125 0.000 2.115 213 R HA -0.095 4.265 4.340 0.033 0.000 0.226 213 R C 2.255 178.569 176.300 0.023 0.000 1.100 213 R CA 0.912 57.051 56.100 0.065 0.000 0.980 213 R CB -0.155 30.172 30.300 0.045 0.000 0.875 213 R HN 0.265 nan 8.270 nan 0.000 0.445 214 M N 0.464 120.072 119.600 0.014 0.000 2.108 214 M HA -0.133 4.367 4.480 0.033 0.000 0.261 214 M C 2.421 178.714 176.300 -0.012 0.000 1.066 214 M CA 1.920 57.205 55.300 -0.026 0.000 1.107 214 M CB -0.270 32.278 32.600 -0.088 0.000 1.356 214 M HN 0.410 nan 8.290 nan 0.000 0.406 215 A N -0.008 122.810 122.820 -0.004 0.000 1.933 215 A HA -0.123 4.216 4.320 0.033 0.000 0.218 215 A C 2.149 179.913 177.584 0.299 0.000 1.175 215 A CA 1.847 53.977 52.037 0.156 0.000 0.628 215 A CB -1.127 18.042 19.000 0.281 0.000 0.814 215 A HN 0.471 nan 8.150 nan 0.000 0.444 216 V N -2.160 117.863 119.914 0.182 0.000 2.667 216 V HA -0.129 4.011 4.120 0.033 0.000 0.252 216 V C 1.596 177.574 176.094 -0.193 0.000 1.065 216 V CA 2.318 64.532 62.300 -0.142 0.000 1.083 216 V CB -0.702 30.822 31.823 -0.498 0.000 0.692 216 V HN 0.367 nan 8.190 nan 0.000 0.468 217 D N -0.477 119.872 120.400 -0.085 0.000 2.149 217 D HA -0.104 4.556 4.640 0.033 0.000 0.201 217 D C 1.903 178.208 176.300 0.009 0.000 0.972 217 D CA 1.742 55.709 54.000 -0.055 0.000 0.835 217 D CB -0.262 40.530 40.800 -0.014 0.000 0.966 217 D HN 0.646 nan 8.370 nan 0.000 0.476 218 Y N 1.516 121.781 120.300 -0.059 0.000 2.314 218 Y HA 0.044 4.613 4.550 0.033 0.000 0.293 218 Y C 2.161 178.043 175.900 -0.031 0.000 1.129 218 Y CA 0.905 58.977 58.100 -0.048 0.000 1.201 218 Y CB -0.231 38.191 38.460 -0.064 0.000 0.999 218 Y HN -0.076 nan 8.280 nan 0.000 0.541 219 A N 0.334 123.126 122.820 -0.048 0.000 1.933 219 A HA -0.203 4.137 4.320 0.033 0.000 0.218 219 A C 2.228 179.745 177.584 -0.112 0.000 1.175 219 A CA 1.947 53.950 52.037 -0.057 0.000 0.628 219 A CB -0.494 18.511 19.000 0.008 0.000 0.814 219 A HN 0.486 nan 8.150 nan 0.000 0.444 220 K N -0.839 119.478 120.400 -0.139 0.000 2.002 220 K HA -0.137 4.203 4.320 0.033 0.000 0.209 220 K C 2.529 179.048 176.600 -0.136 0.000 1.048 220 K CA 1.645 57.860 56.287 -0.120 0.000 0.930 220 K CB -0.328 32.110 32.500 -0.103 0.000 0.714 220 K HN 0.405 nan 8.250 nan 0.000 0.438 221 R N 1.719 122.116 120.500 -0.172 0.000 2.303 221 R HA -0.077 4.282 4.340 0.033 0.000 0.225 221 R C 1.783 177.926 176.300 -0.261 0.000 1.114 221 R CA 1.828 57.821 56.100 -0.179 0.000 1.007 221 R CB -1.216 29.015 30.300 -0.116 0.000 0.861 221 R HN 0.640 nan 8.270 nan 0.000 0.471 222 I N -5.361 115.008 120.570 -0.336 0.000 4.050 222 I HA 0.536 4.725 4.170 0.033 0.000 0.327 222 I C 1.075 177.132 176.117 -0.100 0.000 1.473 222 I CA 0.222 61.365 61.300 -0.262 0.000 1.124 222 I CB 0.548 38.304 38.000 -0.406 0.000 1.129 222 I HN 0.197 nan 8.210 nan 0.000 0.428 223 G N 2.269 111.024 108.800 -0.075 0.000 2.305 223 G HA2 -0.350 3.630 3.960 0.033 0.000 0.287 223 G HA3 -0.350 3.630 3.960 0.033 0.000 0.287 223 G C -0.112 174.802 174.900 0.024 0.000 1.036 223 G CA 0.342 45.423 45.100 -0.031 0.000 0.887 223 G HN 0.557 nan 8.290 nan 0.000 0.505 224 F N 1.624 121.507 119.950 -0.112 0.000 2.456 224 F HA 0.524 5.071 4.527 0.034 0.000 0.358 224 F C 1.517 177.280 175.800 -0.061 0.000 1.095 224 F CA 0.302 58.263 58.000 -0.065 0.000 1.216 224 F CB 1.265 40.232 39.000 -0.054 0.000 1.125 224 F HN 0.172 nan 8.300 nan 0.000 0.549 225 T N 1.695 115.781 114.554 -0.780 0.000 3.040 225 T HA 0.352 4.722 4.350 0.033 0.000 0.266 225 T C 0.869 175.135 174.700 -0.723 0.000 1.005 225 T CA 0.130 61.885 62.100 -0.575 0.000 0.906 225 T CB -0.531 68.161 68.868 -0.294 0.000 1.082 225 T HN 0.709 nan 8.240 nan 0.000 0.531 226 G N 1.268 109.183 108.800 -1.474 0.000 2.636 226 G HA2 0.409 4.389 3.960 0.033 0.000 0.246 226 G HA3 0.409 4.389 3.960 0.033 0.000 0.246 226 G C -0.459 174.344 174.900 -0.161 0.000 1.216 226 G CA -0.478 44.221 45.100 -0.668 0.000 0.854 226 G HN 0.411 nan 8.290 nan 0.000 0.572 227 Q N -0.289 119.560 119.800 0.083 0.000 2.286 227 Q HA 0.333 4.692 4.340 0.033 0.000 0.257 227 Q C -0.913 175.337 176.000 0.416 0.000 0.941 227 Q CA -0.446 55.454 55.803 0.161 0.000 0.912 227 Q CB 0.498 29.301 28.738 0.108 0.000 1.192 227 Q HN 0.228 nan 8.270 nan 0.000 0.410 228 F N 4.601 124.600 119.950 0.082 0.000 2.445 228 F HA 0.306 4.853 4.527 0.034 0.000 0.359 228 F C -0.239 175.675 175.800 0.190 0.000 1.101 228 F CA -0.620 57.463 58.000 0.139 0.000 1.177 228 F CB 0.185 38.999 39.000 -0.310 0.000 1.110 228 F HN 0.436 nan 8.300 nan 0.000 0.522 229 L N 5.616 127.057 121.223 0.364 0.000 2.341 229 L HA 0.538 4.897 4.340 0.033 0.000 0.278 229 L C -0.417 176.643 176.870 0.317 0.000 1.005 229 L CA -0.622 54.351 54.840 0.221 0.000 0.818 229 L CB 2.219 44.243 42.059 -0.058 0.000 1.259 229 L HN 0.392 nan 8.230 nan 0.000 0.418 230 I N 2.321 123.060 120.570 0.283 0.000 2.377 230 I HA 0.232 4.422 4.170 0.033 0.000 0.293 230 I C -0.033 176.254 176.117 0.285 0.000 0.987 230 I CA -0.224 61.239 61.300 0.271 0.000 1.185 230 I CB 1.908 40.014 38.000 0.177 0.000 1.341 230 I HN 0.642 nan 8.210 nan 0.000 0.455 231 E N 8.426 128.773 120.200 0.244 0.000 2.101 231 E HA 0.385 4.755 4.350 0.033 0.000 0.260 231 E C -2.473 174.332 176.600 0.340 0.000 0.897 231 E CA -2.019 54.537 56.400 0.260 0.000 0.744 231 E CB 1.131 30.928 29.700 0.162 0.000 1.140 231 E HN 0.225 nan 8.360 nan 0.000 0.419 232 P HA 0.143 nan 4.420 nan 0.000 0.271 232 P C -1.331 176.062 177.300 0.155 0.000 1.218 232 P CA -0.187 63.026 63.100 0.189 0.000 0.780 232 P CB 0.672 32.451 31.700 0.133 0.000 0.901 233 K N 3.123 123.493 120.400 -0.049 0.000 2.561 233 K HA 0.258 4.597 4.320 0.033 0.000 0.254 233 K C -2.384 173.984 176.600 -0.387 0.000 0.942 233 K CA -1.675 54.436 56.287 -0.293 0.000 0.818 233 K CB 1.979 34.273 32.500 -0.344 0.000 1.306 233 K HN 0.119 nan 8.250 nan 0.000 0.435 234 P HA -0.137 nan 4.420 nan 0.000 0.222 234 P C -0.743 176.303 177.300 -0.424 0.000 1.153 234 P CA 1.062 63.638 63.100 -0.873 0.000 0.798 234 P CB 0.225 31.184 31.700 -1.234 0.000 0.796 235 K N -1.705 118.504 120.400 -0.318 0.000 2.886 235 K HA 0.269 4.609 4.320 0.033 0.000 0.291 235 K C -1.318 175.191 176.600 -0.152 0.000 1.057 235 K CA -0.906 55.252 56.287 -0.215 0.000 0.797 235 K CB 0.352 32.780 32.500 -0.120 0.000 1.490 235 K HN -0.143 nan 8.250 nan 0.000 0.365 236 E N 0.695 120.833 120.200 -0.103 0.000 7.284 236 E HA -0.116 4.253 4.350 0.033 0.000 0.335 236 E C -1.875 174.708 176.600 -0.027 0.000 0.856 236 E CA 0.242 56.616 56.400 -0.045 0.000 1.267 236 E CB 0.094 29.801 29.700 0.011 0.000 0.931 236 E HN 0.522 nan 8.360 nan 0.000 0.275 237 P HA -0.131 nan 4.420 nan 0.000 0.221 237 P C 0.691 177.930 177.300 -0.102 0.000 1.150 237 P CA 1.536 64.594 63.100 -0.068 0.000 0.800 237 P CB -0.176 31.486 31.700 -0.063 0.000 0.787 238 T N -2.613 111.840 114.554 -0.168 0.000 2.748 238 T HA 0.083 4.453 4.350 0.033 0.000 0.304 238 T C 1.265 175.871 174.700 -0.157 0.000 1.041 238 T CA -0.457 61.532 62.100 -0.185 0.000 1.033 238 T CB 1.264 69.951 68.868 -0.302 0.000 0.995 238 T HN -0.070 nan 8.240 nan 0.000 0.536 239 K N -0.164 120.147 120.400 -0.147 0.000 2.076 239 K HA -0.073 4.267 4.320 0.033 0.000 0.204 239 K C 0.288 176.794 176.600 -0.157 0.000 1.051 239 K CA 0.916 57.145 56.287 -0.098 0.000 0.949 239 K CB -0.061 32.430 32.500 -0.015 0.000 0.726 239 K HN 0.883 nan 8.250 nan 0.000 0.443 240 H N 0.037 118.791 119.070 -0.527 0.000 2.840 240 H HA 0.230 4.806 4.556 0.033 0.000 0.340 240 H C -1.575 173.414 175.328 -0.565 0.000 1.004 240 H CA -0.645 55.084 56.048 -0.532 0.000 1.288 240 H CB 1.399 30.634 29.762 -0.878 0.000 1.607 240 H HN -0.015 nan 8.280 nan 0.000 0.522 241 Q N 4.190 123.517 119.800 -0.789 0.000 2.241 241 Q HA 0.149 4.509 4.340 0.033 0.000 0.254 241 Q C 0.016 175.616 176.000 -0.666 0.000 0.917 241 Q CA -0.718 54.670 55.803 -0.692 0.000 0.919 241 Q CB 0.837 29.281 28.738 -0.491 0.000 1.237 241 Q HN 0.750 nan 8.270 nan 0.000 0.434 242 Y N 1.116 121.216 120.300 -0.333 0.000 2.128 242 Y HA -0.181 4.389 4.550 0.033 0.000 0.284 242 Y C 0.583 176.398 175.900 -0.142 0.000 1.154 242 Y CA 1.088 59.072 58.100 -0.193 0.000 1.149 242 Y CB 0.146 38.467 38.460 -0.232 0.000 0.976 242 Y HN 0.598 nan 8.280 nan 0.000 0.505 243 D N 0.510 120.899 120.400 -0.018 0.000 2.671 243 D HA -0.028 4.632 4.640 0.033 0.000 0.228 243 D C 1.216 177.546 176.300 0.049 0.000 1.102 243 D CA 0.008 54.030 54.000 0.037 0.000 1.044 243 D CB -0.717 40.099 40.800 0.027 0.000 1.113 243 D HN 0.166 nan 8.370 nan 0.000 0.480 244 F N 2.105 122.013 119.950 -0.070 0.000 2.120 244 F HA -0.252 4.295 4.527 0.033 0.000 0.300 244 F C 0.684 176.489 175.800 0.009 0.000 1.095 244 F CA 1.380 59.325 58.000 -0.091 0.000 1.249 244 F CB 0.414 39.407 39.000 -0.012 0.000 0.995 244 F HN 0.203 nan 8.300 nan 0.000 0.480 245 D N -3.756 116.775 120.400 0.217 0.000 2.792 245 D HA 0.102 4.762 4.640 0.033 0.000 0.335 245 D C 0.543 176.881 176.300 0.063 0.000 1.353 245 D CA -0.085 54.001 54.000 0.144 0.000 0.839 245 D CB 0.621 41.604 40.800 0.304 0.000 1.396 245 D HN -0.178 nan 8.370 nan 0.000 0.479 246 V N 0.464 120.321 119.914 -0.094 0.000 2.231 246 V HA -0.250 3.889 4.120 0.033 0.000 0.250 246 V C 2.640 178.627 176.094 -0.179 0.000 1.058 246 V CA 3.492 65.526 62.300 -0.444 0.000 1.022 246 V CB -1.299 30.237 31.823 -0.477 0.000 0.640 246 V HN 0.801 nan 8.190 nan 0.000 0.445 247 A N -0.715 122.110 122.820 0.009 0.000 1.908 247 A HA -0.249 4.090 4.320 0.033 0.000 0.218 247 A C 2.376 180.095 177.584 0.226 0.000 1.181 247 A CA 2.687 54.809 52.037 0.143 0.000 0.627 247 A CB -1.045 18.038 19.000 0.138 0.000 0.818 247 A HN 0.550 nan 8.150 nan 0.000 0.445 248 T N 0.236 114.924 114.554 0.224 0.000 2.708 248 T HA 0.000 4.370 4.350 0.033 0.000 0.266 248 T C 2.262 177.117 174.700 0.258 0.000 1.037 248 T CA 1.663 63.906 62.100 0.240 0.000 1.146 248 T CB -0.508 68.531 68.868 0.286 0.000 0.865 248 T HN 0.603 nan 8.240 nan 0.000 0.435 249 A N 0.643 123.620 122.820 0.262 0.000 1.902 249 A HA -0.111 4.229 4.320 0.033 0.000 0.217 249 A C 2.113 179.963 177.584 0.443 0.000 1.181 249 A CA 1.623 53.864 52.037 0.341 0.000 0.623 249 A CB -1.084 18.158 19.000 0.404 0.000 0.818 249 A HN 0.559 nan 8.150 nan 0.000 0.443 250 Y N 0.831 121.336 120.300 0.343 0.000 2.128 250 Y HA -0.176 4.393 4.550 0.032 0.000 0.284 250 Y C 2.686 178.733 175.900 0.246 0.000 1.154 250 Y CA 1.271 59.590 58.100 0.364 0.000 1.149 250 Y CB -0.806 37.819 38.460 0.275 0.000 0.976 250 Y HN 0.317 nan 8.280 nan 0.000 0.505 251 A N -0.064 122.816 122.820 0.100 0.000 1.917 251 A HA -0.278 4.061 4.320 0.033 0.000 0.219 251 A C 2.254 179.861 177.584 0.038 0.000 1.182 251 A CA 1.923 53.967 52.037 0.013 0.000 0.633 251 A CB -1.653 17.424 19.000 0.128 0.000 0.819 251 A HN 0.659 nan 8.150 nan 0.000 0.448 252 F N 0.448 120.407 119.950 0.015 0.000 2.146 252 F HA -0.074 4.473 4.527 0.033 0.000 0.298 252 F C 1.870 177.712 175.800 0.069 0.000 1.096 252 F CA 1.546 59.586 58.000 0.066 0.000 1.275 252 F CB -0.273 38.749 39.000 0.038 0.000 1.008 252 F HN 0.146 nan 8.300 nan 0.000 0.480 253 L N 0.202 121.379 121.223 -0.076 0.000 1.976 253 L HA -0.221 4.139 4.340 0.033 0.000 0.209 253 L C 2.553 179.290 176.870 -0.222 0.000 1.071 253 L CA 1.800 56.523 54.840 -0.196 0.000 0.746 253 L CB -0.941 41.107 42.059 -0.019 0.000 0.890 253 L HN 0.064 nan 8.230 nan 0.000 0.432 254 K N 0.288 120.480 120.400 -0.347 0.000 2.074 254 K HA -0.221 4.119 4.320 0.033 0.000 0.209 254 K C 2.308 178.768 176.600 -0.234 0.000 1.048 254 K CA 2.018 58.090 56.287 -0.359 0.000 0.926 254 K CB -0.629 31.461 32.500 -0.684 0.000 0.713 254 K HN 0.125 nan 8.250 nan 0.000 0.444 255 S N -0.964 114.595 115.700 -0.235 0.000 2.419 255 S HA -0.141 4.348 4.470 0.033 0.000 0.233 255 S C 0.976 175.335 174.600 -0.400 0.000 1.016 255 S CA 1.283 59.325 58.200 -0.262 0.000 0.974 255 S CB -0.306 62.767 63.200 -0.211 0.000 0.786 255 S HN 0.595 nan 8.310 nan 0.000 0.492 256 H N -0.819 118.065 119.070 -0.311 0.000 2.592 256 H HA 0.405 4.981 4.556 0.033 0.000 0.279 256 H C 1.295 176.527 175.328 -0.160 0.000 1.089 256 H CA 0.204 56.086 56.048 -0.275 0.000 1.150 256 H CB 0.441 29.920 29.762 -0.471 0.000 1.575 256 H HN 0.402 nan 8.280 nan 0.000 0.547 257 G N 0.852 109.625 108.800 -0.044 0.000 2.179 257 G HA2 -0.285 3.694 3.960 0.033 0.000 0.257 257 G HA3 -0.285 3.694 3.960 0.033 0.000 0.257 257 G C 0.607 175.570 174.900 0.104 0.000 1.010 257 G CA 0.453 45.561 45.100 0.013 0.000 0.736 257 G HN 0.272 nan 8.290 nan 0.000 0.513 258 L N 1.306 122.591 121.223 0.103 0.000 2.616 258 L HA 0.219 4.578 4.340 0.033 0.000 0.229 258 L C 2.393 179.490 176.870 0.378 0.000 1.110 258 L CA 1.306 56.327 54.840 0.301 0.000 0.884 258 L CB 0.022 42.187 42.059 0.176 0.000 1.115 258 L HN 0.491 nan 8.230 nan 0.000 0.481 259 D N -0.074 120.428 120.400 0.171 0.000 2.144 259 D HA -0.292 4.368 4.640 0.033 0.000 0.199 259 D C 1.577 177.972 176.300 0.157 0.000 0.984 259 D CA 1.046 55.163 54.000 0.195 0.000 0.834 259 D CB -0.092 40.798 40.800 0.149 0.000 0.955 259 D HN 0.484 nan 8.370 nan 0.000 0.465 260 E N -0.578 119.606 120.200 -0.027 0.000 2.267 260 E HA -0.197 4.173 4.350 0.033 0.000 0.197 260 E C 1.037 177.462 176.600 -0.291 0.000 0.998 260 E CA 0.735 57.003 56.400 -0.221 0.000 0.830 260 E CB -0.084 29.357 29.700 -0.432 0.000 0.751 260 E HN 0.423 nan 8.360 nan 0.000 0.491 261 Y N -1.629 118.702 120.300 0.051 0.000 2.462 261 Y HA 0.205 4.775 4.550 0.033 0.000 0.261 261 Y C -0.015 175.697 175.900 -0.313 0.000 1.146 261 Y CA 0.002 58.003 58.100 -0.164 0.000 1.283 261 Y CB 0.424 38.723 38.460 -0.268 0.000 1.090 261 Y HN -0.107 nan 8.280 nan 0.000 0.526 262 F N -0.124 119.909 119.950 0.139 0.000 2.561 262 F HA 0.583 5.129 4.527 0.032 0.000 0.321 262 F C 0.060 175.785 175.800 -0.125 0.000 1.065 262 F CA -1.305 56.735 58.000 0.066 0.000 0.934 262 F CB 1.787 40.798 39.000 0.018 0.000 1.215 262 F HN -0.416 nan 8.300 nan 0.000 0.471 263 K N 0.680 121.090 120.400 0.017 0.000 2.439 263 K HA 0.637 4.977 4.320 0.033 0.000 0.260 263 K C -1.781 174.646 176.600 -0.289 0.000 1.032 263 K CA -0.931 55.246 56.287 -0.184 0.000 0.882 263 K CB 2.248 34.758 32.500 0.017 0.000 1.420 263 K HN 0.307 nan 8.250 nan 0.000 0.455 264 F N 0.683 120.746 119.950 0.188 0.000 2.450 264 F HA 0.320 4.866 4.527 0.032 0.000 0.332 264 F C 0.258 176.128 175.800 0.118 0.000 1.093 264 F CA -0.874 57.222 58.000 0.161 0.000 1.003 264 F CB 1.142 40.235 39.000 0.154 0.000 1.151 264 F HN 0.368 nan 8.300 nan 0.000 0.474 265 N N 2.566 121.420 118.700 0.258 0.000 2.501 265 N HA 0.451 5.210 4.740 0.033 0.000 0.245 265 N C -1.425 174.194 175.510 0.182 0.000 0.974 265 N CA -0.245 52.883 53.050 0.129 0.000 0.941 265 N CB 0.352 38.782 38.487 -0.094 0.000 1.122 265 N HN 0.417 nan 8.380 nan 0.000 0.507 266 I N 1.811 122.517 120.570 0.226 0.000 2.365 266 I HA 0.259 4.449 4.170 0.033 0.000 0.291 266 I C 0.523 176.739 176.117 0.164 0.000 1.004 266 I CA -0.380 61.063 61.300 0.238 0.000 1.311 266 I CB 1.300 39.497 38.000 0.329 0.000 1.401 266 I HN 0.504 nan 8.210 nan 0.000 0.491 267 E N 4.879 125.069 120.200 -0.017 0.000 2.158 267 E HA 0.588 4.958 4.350 0.033 0.000 0.271 267 E C 0.581 176.917 176.600 -0.440 0.000 0.911 267 E CA -0.506 55.712 56.400 -0.304 0.000 0.767 267 E CB 1.566 30.838 29.700 -0.712 0.000 1.120 267 E HN 0.717 nan 8.360 nan 0.000 0.405 268 A N 4.575 126.884 122.820 -0.852 0.000 1.869 268 A HA -0.303 4.037 4.320 0.033 0.000 0.218 268 A C 1.883 179.221 177.584 -0.410 0.000 1.203 268 A CA 2.305 53.696 52.037 -1.076 0.000 0.638 268 A CB -0.873 17.459 19.000 -1.115 0.000 0.831 268 A HN 0.925 nan 8.150 nan 0.000 0.450 269 N N -1.903 116.613 118.700 -0.307 0.000 2.289 269 N HA -0.179 4.581 4.740 0.033 0.000 0.184 269 N C 1.649 177.165 175.510 0.010 0.000 1.016 269 N CA 1.008 53.978 53.050 -0.133 0.000 0.872 269 N CB -0.185 38.240 38.487 -0.103 0.000 0.973 269 N HN 0.793 nan 8.380 nan 0.000 0.433 270 H N -0.711 118.275 119.070 -0.140 0.000 2.363 270 H HA 0.011 4.586 4.556 0.032 0.000 0.301 270 H C 2.197 177.462 175.328 -0.105 0.000 1.074 270 H CA 0.686 56.664 56.048 -0.115 0.000 1.354 270 H CB 0.089 29.801 29.762 -0.083 0.000 1.397 270 H HN 0.301 nan 8.280 nan 0.000 0.516 271 A N 0.970 123.840 122.820 0.083 0.000 1.883 271 A HA -0.227 4.113 4.320 0.033 0.000 0.217 271 A C 2.565 180.181 177.584 0.054 0.000 1.186 271 A CA 2.377 54.487 52.037 0.122 0.000 0.624 271 A CB -1.108 18.016 19.000 0.206 0.000 0.822 271 A HN 0.579 nan 8.150 nan 0.000 0.444 272 T N -2.965 111.594 114.554 0.008 0.000 2.995 272 T HA 0.012 4.382 4.350 0.033 0.000 0.269 272 T C 1.594 176.247 174.700 -0.078 0.000 1.091 272 T CA 1.275 63.361 62.100 -0.023 0.000 1.128 272 T CB -0.224 68.627 68.868 -0.029 0.000 0.891 272 T HN 0.089 nan 8.240 nan 0.000 0.492 273 L N 1.195 122.361 121.223 -0.095 0.000 2.240 273 L HA 0.471 4.830 4.340 0.033 0.000 0.211 273 L C 2.583 179.336 176.870 -0.194 0.000 1.106 273 L CA 0.977 55.743 54.840 -0.122 0.000 0.793 273 L CB -0.842 41.151 42.059 -0.110 0.000 0.927 273 L HN 0.423 nan 8.230 nan 0.000 0.446 274 A N -1.371 121.276 122.820 -0.290 0.000 2.278 274 A HA 0.438 4.777 4.320 0.033 0.000 0.212 274 A C 1.615 178.936 177.584 -0.439 0.000 1.213 274 A CA 0.545 52.307 52.037 -0.459 0.000 0.840 274 A CB -0.823 17.802 19.000 -0.626 0.000 0.866 274 A HN 0.585 nan 8.150 nan 0.000 0.489 275 G N -0.886 107.737 108.800 -0.296 0.000 2.136 275 G HA2 -0.206 3.774 3.960 0.033 0.000 0.242 275 G HA3 -0.206 3.774 3.960 0.033 0.000 0.242 275 G C -0.015 174.736 174.900 -0.249 0.000 0.989 275 G CA 0.379 45.334 45.100 -0.240 0.000 0.682 275 G HN 0.677 nan 8.290 nan 0.000 0.522 276 H N 0.151 119.200 119.070 -0.034 0.000 2.651 276 H HA 0.692 5.268 4.556 0.033 0.000 0.353 276 H C 0.874 176.217 175.328 0.026 0.000 1.178 276 H CA 0.209 56.219 56.048 -0.062 0.000 1.224 276 H CB 1.153 30.890 29.762 -0.042 0.000 1.702 276 H HN 0.385 nan 8.280 nan 0.000 0.550 277 T N -1.579 113.104 114.554 0.215 0.000 2.899 277 T HA 0.066 4.435 4.350 0.033 0.000 0.284 277 T C 1.243 176.134 174.700 0.319 0.000 1.004 277 T CA -0.617 61.609 62.100 0.210 0.000 1.043 277 T CB 0.742 69.709 68.868 0.166 0.000 1.013 277 T HN 0.344 nan 8.240 nan 0.000 0.518 278 F N 1.045 121.059 119.950 0.106 0.000 2.095 278 F HA -0.094 4.453 4.527 0.034 0.000 0.298 278 F C 2.588 178.455 175.800 0.112 0.000 1.104 278 F CA 1.759 59.824 58.000 0.109 0.000 1.232 278 F CB -0.976 38.081 39.000 0.096 0.000 0.987 278 F HN 0.874 nan 8.300 nan 0.000 0.475 279 Q N -0.946 118.923 119.800 0.114 0.000 2.061 279 Q HA -0.324 4.035 4.340 0.033 0.000 0.204 279 Q C 2.321 178.335 176.000 0.023 0.000 0.984 279 Q CA 2.085 57.871 55.803 -0.029 0.000 0.846 279 Q CB -0.555 28.176 28.738 -0.012 0.000 0.902 279 Q HN 0.657 nan 8.270 nan 0.000 0.421 280 H N -0.132 118.954 119.070 0.025 0.000 2.319 280 H HA -0.190 4.386 4.556 0.032 0.000 0.297 280 H C 1.899 177.207 175.328 -0.033 0.000 1.097 280 H CA 2.194 58.237 56.048 -0.009 0.000 1.285 280 H CB 0.035 29.793 29.762 -0.006 0.000 1.368 280 H HN 0.265 nan 8.280 nan 0.000 0.495 281 E N -0.365 119.919 120.200 0.139 0.000 2.106 281 E HA -0.087 4.283 4.350 0.033 0.000 0.192 281 E C 2.008 178.608 176.600 -0.000 0.000 0.984 281 E CA 0.690 57.146 56.400 0.094 0.000 0.806 281 E CB -0.229 29.619 29.700 0.247 0.000 0.750 281 E HN 0.376 nan 8.360 nan 0.000 0.458 282 L N 0.253 121.478 121.223 0.003 0.000 2.027 282 L HA -0.068 4.291 4.340 0.033 0.000 0.206 282 L C 2.391 179.214 176.870 -0.078 0.000 1.074 282 L CA 1.559 56.374 54.840 -0.042 0.000 0.745 282 L CB -0.930 41.040 42.059 -0.148 0.000 0.898 282 L HN 0.066 nan 8.230 nan 0.000 0.433 283 R N -1.269 119.159 120.500 -0.120 0.000 2.083 283 R HA -0.165 4.194 4.340 0.033 0.000 0.237 283 R C 2.235 178.434 176.300 -0.168 0.000 1.137 283 R CA 1.397 57.416 56.100 -0.135 0.000 0.951 283 R CB -0.179 30.029 30.300 -0.154 0.000 0.851 283 R HN 0.132 nan 8.270 nan 0.000 0.434 284 M N -0.074 119.374 119.600 -0.253 0.000 2.065 284 M HA -0.123 4.376 4.480 0.033 0.000 0.259 284 M C 2.318 178.525 176.300 -0.155 0.000 1.069 284 M CA 2.086 57.240 55.300 -0.242 0.000 1.110 284 M CB -1.272 31.151 32.600 -0.295 0.000 1.328 284 M HN 0.352 nan 8.290 nan 0.000 0.405 285 A N -0.364 122.391 122.820 -0.108 0.000 1.917 285 A HA -0.236 4.104 4.320 0.033 0.000 0.219 285 A C 2.370 179.975 177.584 0.035 0.000 1.182 285 A CA 2.145 54.196 52.037 0.023 0.000 0.633 285 A CB -0.787 18.279 19.000 0.110 0.000 0.819 285 A HN 0.495 nan 8.150 nan 0.000 0.448 286 R N -0.028 120.460 120.500 -0.019 0.000 2.070 286 R HA -0.134 4.226 4.340 0.033 0.000 0.233 286 R C 2.200 178.470 176.300 -0.051 0.000 1.137 286 R CA 1.917 57.998 56.100 -0.032 0.000 0.945 286 R CB -0.518 29.746 30.300 -0.059 0.000 0.845 286 R HN 0.753 nan 8.270 nan 0.000 0.430 287 I N -1.445 119.077 120.570 -0.080 0.000 2.614 287 I HA -0.137 4.053 4.170 0.033 0.000 0.258 287 I C 1.337 177.396 176.117 -0.097 0.000 1.189 287 I CA 1.003 62.250 61.300 -0.089 0.000 1.462 287 I CB -0.132 37.806 38.000 -0.104 0.000 1.092 287 I HN 0.087 nan 8.210 nan 0.000 0.442 288 L N 2.062 123.218 121.223 -0.112 0.000 2.478 288 L HA 0.269 4.628 4.340 0.033 0.000 0.223 288 L C 1.784 178.622 176.870 -0.053 0.000 1.140 288 L CA 1.299 56.047 54.840 -0.154 0.000 0.842 288 L CB -0.999 40.919 42.059 -0.234 0.000 0.953 288 L HN 0.628 nan 8.230 nan 0.000 0.452 289 G N -0.248 108.543 108.800 -0.015 0.000 2.147 289 G HA2 -0.310 3.669 3.960 0.033 0.000 0.244 289 G HA3 -0.310 3.669 3.960 0.033 0.000 0.244 289 G C 0.695 175.627 174.900 0.054 0.000 1.005 289 G CA 0.480 45.586 45.100 0.010 0.000 0.713 289 G HN 0.447 nan 8.290 nan 0.000 0.515 290 K N -0.452 120.017 120.400 0.116 0.000 2.934 290 K HA 0.373 4.713 4.320 0.033 0.000 0.210 290 K C 0.166 176.921 176.600 0.258 0.000 1.122 290 K CA -0.794 55.597 56.287 0.173 0.000 1.033 290 K CB 1.091 33.705 32.500 0.190 0.000 0.779 290 K HN 0.250 nan 8.250 nan 0.000 0.459 291 L N 1.889 123.215 121.223 0.172 0.000 2.404 291 L HA 0.230 4.590 4.340 0.033 0.000 0.277 291 L C 0.995 177.974 176.870 0.183 0.000 1.184 291 L CA 0.330 55.275 54.840 0.176 0.000 1.013 291 L CB 0.076 42.188 42.059 0.089 0.000 1.318 291 L HN 0.328 nan 8.230 nan 0.000 0.435 292 G N 2.248 111.174 108.800 0.210 0.000 2.456 292 G HA2 0.056 4.035 3.960 0.033 0.000 0.213 292 G HA3 0.056 4.035 3.960 0.033 0.000 0.213 292 G C 0.406 175.440 174.900 0.224 0.000 1.215 292 G CA 0.757 45.966 45.100 0.181 0.000 0.805 292 G HN 0.592 nan 8.290 nan 0.000 0.537 293 S N -1.822 114.009 115.700 0.217 0.000 2.656 293 S HA 0.676 5.166 4.470 0.033 0.000 0.273 293 S C -1.868 172.870 174.600 0.230 0.000 1.168 293 S CA -0.754 57.563 58.200 0.196 0.000 0.817 293 S CB 1.200 64.457 63.200 0.096 0.000 1.146 293 S HN 0.142 nan 8.310 nan 0.000 0.475 294 I N 1.942 122.620 120.570 0.181 0.000 2.582 294 I HA 0.384 4.573 4.170 0.033 0.000 0.292 294 I C -1.417 174.758 176.117 0.095 0.000 1.066 294 I CA -0.739 60.688 61.300 0.211 0.000 1.053 294 I CB 2.207 40.403 38.000 0.328 0.000 1.241 294 I HN 0.473 nan 8.210 nan 0.000 0.421 295 D N 5.369 125.816 120.400 0.080 0.000 2.396 295 D HA 0.366 5.026 4.640 0.033 0.000 0.225 295 D C -0.010 176.229 176.300 -0.103 0.000 1.121 295 D CA -0.042 53.958 54.000 0.000 0.000 0.853 295 D CB 1.785 42.583 40.800 -0.003 0.000 1.043 295 D HN 0.542 nan 8.370 nan 0.000 0.500 296 A N 3.720 126.402 122.820 -0.229 0.000 2.671 296 A HA 0.379 4.719 4.320 0.033 0.000 0.306 296 A C 0.366 177.885 177.584 -0.108 0.000 1.473 296 A CA -0.488 51.394 52.037 -0.259 0.000 1.155 296 A CB -0.517 17.960 19.000 -0.872 0.000 1.123 296 A HN 0.598 nan 8.150 nan 0.000 0.545 297 N N 0.915 119.567 118.700 -0.080 0.000 3.379 297 N HA 0.594 5.354 4.740 0.033 0.000 0.350 297 N C -0.800 174.676 175.510 -0.056 0.000 1.553 297 N CA -0.772 52.234 53.050 -0.073 0.000 0.712 297 N CB 0.782 39.155 38.487 -0.190 0.000 1.880 297 N HN 0.461 nan 8.380 nan 0.000 0.648 298 Q N -0.510 119.239 119.800 -0.084 0.000 2.313 298 Q HA 0.520 4.880 4.340 0.033 0.000 0.255 298 Q C -1.151 174.793 176.000 -0.094 0.000 0.944 298 Q CA -0.862 54.903 55.803 -0.064 0.000 0.881 298 Q CB 1.457 30.208 28.738 0.021 0.000 1.375 298 Q HN 0.876 nan 8.270 nan 0.000 0.422 299 G N 1.515 110.250 108.800 -0.109 0.000 2.557 299 G HA2 0.273 4.253 3.960 0.033 0.000 0.292 299 G HA3 0.273 4.253 3.960 0.033 0.000 0.292 299 G C -0.979 173.850 174.900 -0.118 0.000 1.237 299 G CA -0.225 44.802 45.100 -0.122 0.000 0.978 299 G HN 0.647 nan 8.290 nan 0.000 0.498 300 D N 0.070 120.366 120.400 -0.173 0.000 2.392 300 D HA 0.213 4.873 4.640 0.033 0.000 0.228 300 D C 1.133 177.320 176.300 -0.187 0.000 1.074 300 D CA -0.638 53.259 54.000 -0.172 0.000 0.838 300 D CB 1.627 42.295 40.800 -0.220 0.000 1.067 300 D HN -0.033 nan 8.370 nan 0.000 0.511 301 L N 3.623 124.771 121.223 -0.124 0.000 2.353 301 L HA -0.031 4.329 4.340 0.033 0.000 0.220 301 L C 1.990 178.790 176.870 -0.118 0.000 1.133 301 L CA 1.061 55.837 54.840 -0.106 0.000 0.798 301 L CB -0.332 41.688 42.059 -0.065 0.000 0.922 301 L HN 0.579 nan 8.230 nan 0.000 0.445 302 L N -1.093 120.049 121.223 -0.134 0.000 2.592 302 L HA 0.121 4.481 4.340 0.033 0.000 0.227 302 L C 0.076 176.831 176.870 -0.191 0.000 1.127 302 L CA -0.025 54.741 54.840 -0.125 0.000 0.884 302 L CB 0.008 42.013 42.059 -0.090 0.000 1.065 302 L HN 0.068 nan 8.230 nan 0.000 0.457 303 L N -1.083 119.948 121.223 -0.321 0.000 2.346 303 L HA 0.448 4.808 4.340 0.033 0.000 0.276 303 L C 1.058 177.648 176.870 -0.466 0.000 1.006 303 L CA -0.413 54.076 54.840 -0.585 0.000 0.817 303 L CB 1.700 43.083 42.059 -1.127 0.000 1.272 303 L HN -0.117 nan 8.230 nan 0.000 0.421 304 G N 1.487 110.135 108.800 -0.253 0.000 3.181 304 G HA2 0.095 4.074 3.960 0.033 0.000 0.219 304 G HA3 0.095 4.074 3.960 0.033 0.000 0.219 304 G C -0.403 174.576 174.900 0.132 0.000 1.182 304 G CA -0.142 44.952 45.100 -0.010 0.000 0.791 304 G HN 0.706 nan 8.290 nan 0.000 0.537 305 W N -0.197 121.102 121.300 -0.003 0.000 2.975 305 W HA 0.615 5.296 4.660 0.035 0.000 0.342 305 W C -1.350 175.165 176.519 -0.007 0.000 1.168 305 W CA -1.939 55.404 57.345 -0.004 0.000 1.141 305 W CB 0.600 30.068 29.460 0.014 0.000 1.445 305 W HN -0.157 nan 8.180 nan 0.000 0.560 306 D N 1.350 121.882 120.400 0.220 0.000 2.382 306 D HA 0.073 4.733 4.640 0.033 0.000 0.259 306 D C 1.414 177.807 176.300 0.155 0.000 1.224 306 D CA 0.294 54.359 54.000 0.107 0.000 0.894 306 D CB 1.077 41.948 40.800 0.118 0.000 1.127 306 D HN 0.569 nan 8.370 nan 0.000 0.487 307 T N -2.113 112.424 114.554 -0.028 0.000 3.035 307 T HA -0.078 4.291 4.350 0.033 0.000 0.259 307 T C 0.413 175.091 174.700 -0.036 0.000 1.078 307 T CA -0.201 61.898 62.100 -0.001 0.000 1.132 307 T CB -0.113 68.685 68.868 -0.117 0.000 0.900 307 T HN 0.269 nan 8.240 nan 0.000 0.480 308 D N 1.914 122.258 120.400 -0.093 0.000 2.686 308 D HA -0.126 4.534 4.640 0.033 0.000 0.235 308 D C -0.237 175.871 176.300 -0.321 0.000 1.160 308 D CA 0.656 54.535 54.000 -0.202 0.000 0.645 308 D CB -1.352 39.313 40.800 -0.225 0.000 1.039 308 D HN 0.684 nan 8.370 nan 0.000 0.423 309 Q N -0.963 118.700 119.800 -0.229 0.000 2.312 309 Q HA 0.454 4.814 4.340 0.033 0.000 0.236 309 Q C 0.425 176.274 176.000 -0.253 0.000 0.965 309 Q CA -0.548 55.123 55.803 -0.220 0.000 0.894 309 Q CB 0.571 29.265 28.738 -0.075 0.000 1.225 309 Q HN 0.121 nan 8.270 nan 0.000 0.478 310 F N 2.804 122.726 119.950 -0.048 0.000 2.495 310 F HA 0.135 4.681 4.527 0.032 0.000 0.365 310 F C -1.630 174.215 175.800 0.075 0.000 1.090 310 F CA -1.959 56.037 58.000 -0.006 0.000 1.235 310 F CB 0.298 39.240 39.000 -0.097 0.000 1.119 310 F HN 0.275 nan 8.300 nan 0.000 0.562 311 P HA 0.035 nan 4.420 nan 0.000 0.270 311 P C 0.054 177.510 177.300 0.260 0.000 1.242 311 P CA -0.001 63.286 63.100 0.313 0.000 0.768 311 P CB 0.475 32.481 31.700 0.510 0.000 0.820 312 T N -0.796 113.859 114.554 0.168 0.000 3.339 312 T HA 0.152 4.522 4.350 0.033 0.000 0.292 312 T C 0.141 174.898 174.700 0.095 0.000 1.012 312 T CA -0.547 61.636 62.100 0.138 0.000 0.937 312 T CB -0.519 68.421 68.868 0.121 0.000 1.164 312 T HN 0.269 nan 8.240 nan 0.000 0.509 313 N N 1.819 120.562 118.700 0.073 0.000 2.483 313 N HA 0.213 4.972 4.740 0.033 0.000 0.267 313 N C 1.336 176.841 175.510 -0.008 0.000 0.998 313 N CA -0.310 52.774 53.050 0.056 0.000 0.918 313 N CB 2.274 40.818 38.487 0.095 0.000 1.215 313 N HN 0.128 nan 8.380 nan 0.000 0.500 314 V N 2.870 122.731 119.914 -0.088 0.000 2.594 314 V HA -0.143 3.996 4.120 0.033 0.000 0.253 314 V C 1.491 177.477 176.094 -0.179 0.000 1.069 314 V CA 1.130 63.321 62.300 -0.182 0.000 1.082 314 V CB -1.266 30.394 31.823 -0.271 0.000 0.680 314 V HN 0.498 nan 8.190 nan 0.000 0.469 315 Y N 1.663 121.936 120.300 -0.045 0.000 2.145 315 Y HA -0.119 4.451 4.550 0.032 0.000 0.286 315 Y C 2.629 178.501 175.900 -0.047 0.000 1.145 315 Y CA 1.897 59.968 58.100 -0.047 0.000 1.148 315 Y CB -0.708 37.732 38.460 -0.034 0.000 0.981 315 Y HN 0.273 nan 8.280 nan 0.000 0.507 316 D N -0.814 119.665 120.400 0.132 0.000 2.097 316 D HA -0.144 4.516 4.640 0.033 0.000 0.197 316 D C 2.245 178.541 176.300 -0.006 0.000 0.984 316 D CA 2.217 56.279 54.000 0.104 0.000 0.826 316 D CB -0.705 40.187 40.800 0.154 0.000 0.973 316 D HN 0.451 nan 8.370 nan 0.000 0.460 317 T N -1.312 113.140 114.554 -0.171 0.000 2.788 317 T HA -0.113 4.256 4.350 0.033 0.000 0.268 317 T C 2.059 176.650 174.700 -0.180 0.000 1.044 317 T CA 1.623 63.461 62.100 -0.436 0.000 1.139 317 T CB -0.708 67.769 68.868 -0.651 0.000 0.867 317 T HN -0.041 nan 8.240 nan 0.000 0.454 318 T N 2.501 116.996 114.554 -0.097 0.000 2.674 318 T HA 0.049 4.419 4.350 0.033 0.000 0.265 318 T C 1.799 176.493 174.700 -0.010 0.000 1.039 318 T CA 0.968 63.043 62.100 -0.041 0.000 1.150 318 T CB -0.391 68.446 68.868 -0.051 0.000 0.864 318 T HN 0.125 nan 8.240 nan 0.000 0.427 319 L N 1.178 122.384 121.223 -0.028 0.000 2.131 319 L HA 0.077 4.436 4.340 0.033 0.000 0.210 319 L C 2.804 179.648 176.870 -0.043 0.000 1.092 319 L CA 1.350 56.165 54.840 -0.042 0.000 0.759 319 L CB -1.796 40.229 42.059 -0.056 0.000 0.903 319 L HN 0.238 nan 8.230 nan 0.000 0.435 320 A N -0.903 121.845 122.820 -0.120 0.000 1.845 320 A HA -0.202 4.138 4.320 0.033 0.000 0.215 320 A C 2.224 179.772 177.584 -0.060 0.000 1.195 320 A CA 1.696 53.580 52.037 -0.256 0.000 0.616 320 A CB -0.405 18.421 19.000 -0.290 0.000 0.832 320 A HN 0.268 nan 8.150 nan 0.000 0.443 321 M N -1.750 117.883 119.600 0.055 0.000 2.213 321 M HA -0.106 4.393 4.480 0.033 0.000 0.263 321 M C 2.068 178.382 176.300 0.023 0.000 1.062 321 M CA 1.181 56.547 55.300 0.110 0.000 1.105 321 M CB -1.585 31.142 32.600 0.213 0.000 1.385 321 M HN 0.644 nan 8.290 nan 0.000 0.417 322 Y N 1.954 122.197 120.300 -0.094 0.000 2.151 322 Y HA -0.258 4.312 4.550 0.032 0.000 0.284 322 Y C 2.144 177.973 175.900 -0.119 0.000 1.166 322 Y CA 1.845 59.872 58.100 -0.120 0.000 1.163 322 Y CB 0.001 38.386 38.460 -0.125 0.000 0.974 322 Y HN 0.247 nan 8.280 nan 0.000 0.511 323 E N -0.407 119.786 120.200 -0.012 0.000 2.072 323 E HA -0.140 4.229 4.350 0.033 0.000 0.191 323 E C 2.456 178.950 176.600 -0.177 0.000 0.985 323 E CA 1.385 57.727 56.400 -0.097 0.000 0.801 323 E CB -0.694 28.966 29.700 -0.066 0.000 0.750 323 E HN 0.449 nan 8.360 nan 0.000 0.452 324 V N 1.912 121.720 119.914 -0.177 0.000 2.261 324 V HA -0.239 3.901 4.120 0.033 0.000 0.246 324 V C 2.512 178.461 176.094 -0.242 0.000 1.047 324 V CA 1.501 63.641 62.300 -0.266 0.000 1.015 324 V CB -0.569 31.015 31.823 -0.398 0.000 0.642 324 V HN 0.165 nan 8.190 nan 0.000 0.446 325 I N -0.284 120.167 120.570 -0.198 0.000 2.151 325 I HA -0.255 3.935 4.170 0.033 0.000 0.243 325 I C 2.592 178.576 176.117 -0.221 0.000 1.080 325 I CA 1.514 62.712 61.300 -0.170 0.000 1.339 325 I CB -0.459 37.423 38.000 -0.198 0.000 1.039 325 I HN 0.247 nan 8.210 nan 0.000 0.409 326 K N 0.784 120.987 120.400 -0.328 0.000 2.211 326 K HA -0.033 4.307 4.320 0.033 0.000 0.203 326 K C 2.025 178.514 176.600 -0.185 0.000 1.050 326 K CA 1.307 57.412 56.287 -0.302 0.000 0.945 326 K CB -0.283 31.973 32.500 -0.408 0.000 0.732 326 K HN 0.343 nan 8.250 nan 0.000 0.451 327 A N 0.187 122.908 122.820 -0.165 0.000 2.119 327 A HA 0.179 4.519 4.320 0.033 0.000 0.216 327 A C 1.387 178.917 177.584 -0.090 0.000 1.152 327 A CA 1.272 53.241 52.037 -0.113 0.000 0.708 327 A CB -0.063 18.874 19.000 -0.105 0.000 0.805 327 A HN 0.373 nan 8.150 nan 0.000 0.460 328 G N -2.787 105.953 108.800 -0.100 0.000 2.143 328 G HA2 0.366 4.346 3.960 0.033 0.000 0.175 328 G HA3 0.366 4.346 3.960 0.033 0.000 0.175 328 G C 1.196 176.070 174.900 -0.044 0.000 1.004 328 G CA 0.266 45.332 45.100 -0.056 0.000 0.671 328 G HN 2.273 nan 8.290 nan 0.000 0.512 329 G N -1.233 107.499 108.800 -0.112 0.000 2.828 329 G HA2 0.178 4.158 3.960 0.033 0.000 0.463 329 G HA3 0.178 4.158 3.960 0.033 0.000 0.463 329 G C -0.113 174.686 174.900 -0.168 0.000 1.394 329 G CA -0.172 44.833 45.100 -0.158 0.000 0.862 329 G HN 1.225 nan 8.290 nan 0.000 0.540 330 F N 0.364 120.334 119.950 0.033 0.000 2.450 330 F HA 0.546 5.093 4.527 0.033 0.000 0.339 330 F C 1.826 177.625 175.800 -0.002 0.000 1.146 330 F CA 0.626 58.627 58.000 0.003 0.000 1.267 330 F CB 1.300 40.278 39.000 -0.036 0.000 1.178 330 F HN 0.574 nan 8.300 nan 0.000 0.585 331 T N 0.449 115.136 114.554 0.223 0.000 3.556 331 T HA 0.126 4.496 4.350 0.033 0.000 0.204 331 T C 0.424 175.178 174.700 0.091 0.000 0.896 331 T CA -0.095 62.076 62.100 0.118 0.000 1.380 331 T CB 0.038 68.956 68.868 0.082 0.000 1.584 331 T HN 0.301 nan 8.240 nan 0.000 0.411 332 K N 1.739 122.188 120.400 0.081 0.000 3.000 332 K HA 0.571 4.910 4.320 0.033 0.000 0.239 332 K C -0.114 176.513 176.600 0.044 0.000 1.269 332 K CA -0.479 55.840 56.287 0.053 0.000 1.220 332 K CB 0.628 33.162 32.500 0.056 0.000 1.645 332 K HN 0.468 nan 8.250 nan 0.000 0.423 333 G N -0.754 108.029 108.800 -0.029 0.000 2.606 333 G HA2 0.705 4.684 3.960 0.033 0.000 0.300 333 G HA3 0.705 4.684 3.960 0.033 0.000 0.300 333 G C -0.993 173.533 174.900 -0.623 0.000 1.360 333 G CA -0.361 44.656 45.100 -0.139 0.000 0.783 333 G HN 0.318 nan 8.290 nan 0.000 0.484 334 G N -1.808 106.460 108.800 -0.885 0.000 2.428 334 G HA2 0.491 4.471 3.960 0.033 0.000 0.305 334 G HA3 0.491 4.471 3.960 0.033 0.000 0.305 334 G C -1.532 172.831 174.900 -0.895 0.000 1.260 334 G CA -0.831 43.406 45.100 -1.438 0.000 0.853 334 G HN 0.840 nan 8.290 nan 0.000 0.480 335 L N 2.432 123.263 121.223 -0.654 0.000 2.397 335 L HA 0.315 4.675 4.340 0.033 0.000 0.263 335 L C 0.634 177.271 176.870 -0.387 0.000 1.136 335 L CA -0.482 54.083 54.840 -0.458 0.000 1.019 335 L CB 0.391 42.159 42.059 -0.485 0.000 1.352 335 L HN 0.506 nan 8.230 nan 0.000 0.420 336 N N 2.233 120.776 118.700 -0.261 0.000 2.442 336 N HA 0.057 4.817 4.740 0.033 0.000 0.265 336 N C -0.503 174.870 175.510 -0.227 0.000 1.138 336 N CA -0.494 52.455 53.050 -0.169 0.000 0.956 336 N CB 0.564 39.018 38.487 -0.055 0.000 1.067 336 N HN 0.233 nan 8.380 nan 0.000 0.474 337 F N 2.409 122.320 119.950 -0.065 0.000 2.679 337 F HA 0.029 4.576 4.527 0.032 0.000 0.351 337 F C 1.025 176.726 175.800 -0.164 0.000 1.279 337 F CA -0.329 57.615 58.000 -0.094 0.000 1.227 337 F CB -0.228 38.744 39.000 -0.047 0.000 1.623 337 F HN 0.436 nan 8.300 nan 0.000 0.666 338 D N 2.618 123.014 120.400 -0.007 0.000 2.767 338 D HA 0.331 4.991 4.640 0.033 0.000 0.231 338 D C -0.185 176.056 176.300 -0.097 0.000 1.105 338 D CA 0.231 54.287 54.000 0.094 0.000 1.024 338 D CB -0.190 40.752 40.800 0.236 0.000 1.123 338 D HN 0.396 nan 8.370 nan 0.000 0.470 339 A N 1.778 124.370 122.820 -0.379 0.000 2.532 339 A HA 0.813 5.152 4.320 0.033 0.000 0.290 339 A C -0.790 176.095 177.584 -1.164 0.000 1.143 339 A CA -0.866 50.660 52.037 -0.852 0.000 0.728 339 A CB 1.623 19.987 19.000 -1.060 0.000 1.317 339 A HN 0.299 nan 8.150 nan 0.000 0.414 340 K N -0.529 119.186 120.400 -1.141 0.000 2.536 340 K HA 0.704 5.044 4.320 0.033 0.000 0.269 340 K C -0.558 175.837 176.600 -0.341 0.000 0.965 340 K CA -0.733 55.164 56.287 -0.649 0.000 0.860 340 K CB 1.564 33.777 32.500 -0.478 0.000 1.423 340 K HN 1.109 nan 8.250 nan 0.000 0.438 341 V N -0.378 119.550 119.914 0.023 0.000 2.924 341 V HA 0.369 4.509 4.120 0.033 0.000 0.305 341 V C 0.126 176.262 176.094 0.070 0.000 1.073 341 V CA -0.861 61.528 62.300 0.148 0.000 1.098 341 V CB 0.422 32.342 31.823 0.160 0.000 1.000 341 V HN 0.687 nan 8.190 nan 0.000 0.484 342 R N 2.080 122.633 120.500 0.088 0.000 2.734 342 R HA 0.152 4.512 4.340 0.033 0.000 0.266 342 R C 1.486 177.847 176.300 0.102 0.000 1.044 342 R CA 0.213 56.363 56.100 0.083 0.000 1.128 342 R CB -0.238 30.113 30.300 0.085 0.000 1.010 342 R HN 0.919 nan 8.270 nan 0.000 0.461 343 R N 1.636 122.196 120.500 0.099 0.000 2.117 343 R HA -0.185 4.174 4.340 0.033 0.000 0.243 343 R C 1.564 177.941 176.300 0.129 0.000 1.143 343 R CA 2.122 58.284 56.100 0.104 0.000 0.968 343 R CB -0.160 30.190 30.300 0.084 0.000 0.863 343 R HN 0.701 nan 8.270 nan 0.000 0.444 344 A N -0.413 122.484 122.820 0.128 0.000 2.119 344 A HA 0.062 4.401 4.320 0.033 0.000 0.216 344 A C 1.003 178.745 177.584 0.263 0.000 1.152 344 A CA 0.634 52.773 52.037 0.170 0.000 0.708 344 A CB 0.222 19.291 19.000 0.115 0.000 0.805 344 A HN 0.248 nan 8.150 nan 0.000 0.460 345 S N 0.715 116.524 115.700 0.182 0.000 4.120 345 S HA 0.229 4.718 4.470 0.033 0.000 0.196 345 S C 0.531 175.210 174.600 0.132 0.000 1.447 345 S CA -0.331 57.943 58.200 0.124 0.000 0.939 345 S CB -0.787 62.465 63.200 0.086 0.000 1.496 345 S HN 0.701 nan 8.310 nan 0.000 0.460 346 Y N 0.492 120.811 120.300 0.032 0.000 2.511 346 Y HA 0.400 4.969 4.550 0.032 0.000 0.279 346 Y C 0.264 176.177 175.900 0.023 0.000 1.157 346 Y CA -0.717 57.400 58.100 0.028 0.000 1.300 346 Y CB -0.176 38.299 38.460 0.025 0.000 1.052 346 Y HN 0.074 nan 8.280 nan 0.000 0.529 347 K N 0.702 120.792 120.400 -0.516 0.000 2.154 347 K HA 0.212 4.552 4.320 0.033 0.000 0.264 347 K C 1.022 177.543 176.600 -0.131 0.000 1.008 347 K CA 0.001 56.046 56.287 -0.404 0.000 0.937 347 K CB 2.345 34.582 32.500 -0.439 0.000 1.002 347 K HN 0.008 nan 8.250 nan 0.000 0.469 348 V N 2.176 122.061 119.914 -0.047 0.000 2.453 348 V HA -0.266 3.873 4.120 0.033 0.000 0.252 348 V C 2.213 178.382 176.094 0.126 0.000 1.068 348 V CA 1.889 64.229 62.300 0.066 0.000 1.070 348 V CB -0.733 31.202 31.823 0.187 0.000 0.664 348 V HN 0.801 nan 8.190 nan 0.000 0.461 349 E N -0.245 119.993 120.200 0.064 0.000 2.208 349 E HA -0.204 4.165 4.350 0.033 0.000 0.193 349 E C 1.490 178.119 176.600 0.049 0.000 0.988 349 E CA 1.152 57.594 56.400 0.070 0.000 0.828 349 E CB -0.498 29.181 29.700 -0.035 0.000 0.763 349 E HN 0.574 nan 8.360 nan 0.000 0.478 350 D N 1.335 121.730 120.400 -0.010 0.000 2.178 350 D HA -0.039 4.621 4.640 0.033 0.000 0.202 350 D C 2.204 178.479 176.300 -0.041 0.000 0.974 350 D CA 0.415 54.396 54.000 -0.031 0.000 0.841 350 D CB -0.093 40.689 40.800 -0.030 0.000 0.953 350 D HN 0.187 nan 8.370 nan 0.000 0.478 351 L N -0.259 120.945 121.223 -0.031 0.000 2.046 351 L HA -0.188 4.172 4.340 0.033 0.000 0.208 351 L C 2.316 179.082 176.870 -0.174 0.000 1.077 351 L CA 1.030 55.819 54.840 -0.084 0.000 0.747 351 L CB -0.272 41.668 42.059 -0.198 0.000 0.896 351 L HN -0.027 nan 8.230 nan 0.000 0.432 352 F N -0.272 119.593 119.950 -0.142 0.000 2.098 352 F HA -0.184 4.363 4.527 0.032 0.000 0.294 352 F C 2.377 177.992 175.800 -0.308 0.000 1.107 352 F CA 1.272 59.094 58.000 -0.298 0.000 1.234 352 F CB -0.398 38.392 39.000 -0.350 0.000 1.002 352 F HN -0.103 nan 8.300 nan 0.000 0.472 353 I N -0.085 120.435 120.570 -0.083 0.000 2.151 353 I HA -0.304 3.885 4.170 0.033 0.000 0.243 353 I C 2.740 178.678 176.117 -0.298 0.000 1.080 353 I CA 1.638 62.839 61.300 -0.164 0.000 1.339 353 I CB -1.199 36.734 38.000 -0.113 0.000 1.039 353 I HN 0.245 nan 8.210 nan 0.000 0.409 354 G N -0.301 108.243 108.800 -0.427 0.000 2.459 354 G HA2 -0.294 3.686 3.960 0.033 0.000 0.217 354 G HA3 -0.294 3.686 3.960 0.033 0.000 0.217 354 G C 1.363 175.400 174.900 -1.438 0.000 1.183 354 G CA 1.036 45.571 45.100 -0.940 0.000 0.776 354 G HN 0.395 nan 8.290 nan 0.000 0.552 355 H N 0.034 118.342 119.070 -1.271 0.000 2.421 355 H HA 0.100 4.675 4.556 0.032 0.000 0.298 355 H C 2.575 177.471 175.328 -0.720 0.000 1.087 355 H CA 1.149 56.541 56.048 -1.094 0.000 1.330 355 H CB -0.050 29.277 29.762 -0.725 0.000 1.388 355 H HN 0.334 nan 8.280 nan 0.000 0.526 356 I N -0.105 120.261 120.570 -0.341 0.000 2.202 356 I HA -0.264 3.925 4.170 0.033 0.000 0.242 356 I C 2.616 178.685 176.117 -0.081 0.000 1.091 356 I CA 0.915 62.124 61.300 -0.151 0.000 1.368 356 I CB -0.359 37.481 38.000 -0.266 0.000 1.058 356 I HN 0.317 nan 8.210 nan 0.000 0.410 357 A N 1.000 123.722 122.820 -0.163 0.000 1.892 357 A HA -0.201 4.138 4.320 0.033 0.000 0.218 357 A C 2.427 180.041 177.584 0.050 0.000 1.188 357 A CA 2.183 54.196 52.037 -0.041 0.000 0.631 357 A CB -1.553 17.407 19.000 -0.066 0.000 0.822 357 A HN 0.478 nan 8.150 nan 0.000 0.447 358 G N -0.935 107.825 108.800 -0.067 0.000 2.418 358 G HA2 -0.201 3.779 3.960 0.033 0.000 0.217 358 G HA3 -0.201 3.779 3.960 0.033 0.000 0.217 358 G C 1.633 176.727 174.900 0.323 0.000 1.158 358 G CA 1.265 46.497 45.100 0.221 0.000 0.771 358 G HN 0.483 nan 8.290 nan 0.000 0.545 359 M N 0.331 119.882 119.600 -0.081 0.000 2.132 359 M HA 0.024 4.523 4.480 0.033 0.000 0.263 359 M C 2.112 178.557 176.300 0.243 0.000 1.065 359 M CA 1.232 56.377 55.300 -0.259 0.000 1.122 359 M CB -0.173 32.080 32.600 -0.580 0.000 1.365 359 M HN 0.022 nan 8.290 nan 0.000 0.411 360 D N 0.014 120.623 120.400 0.348 0.000 2.084 360 D HA -0.128 4.532 4.640 0.033 0.000 0.194 360 D C 2.012 178.673 176.300 0.602 0.000 0.990 360 D CA 1.754 56.083 54.000 0.547 0.000 0.826 360 D CB -0.455 40.603 40.800 0.430 0.000 0.971 360 D HN 0.268 nan 8.370 nan 0.000 0.453 361 T N 0.161 114.983 114.554 0.447 0.000 2.684 361 T HA -0.167 4.203 4.350 0.033 0.000 0.267 361 T C 1.884 176.732 174.700 0.246 0.000 1.036 361 T CA 0.849 63.124 62.100 0.292 0.000 1.148 361 T CB -0.511 68.489 68.868 0.221 0.000 0.863 361 T HN 0.088 nan 8.240 nan 0.000 0.436 362 F N 1.282 121.442 119.950 0.349 0.000 2.234 362 F HA 0.098 4.645 4.527 0.033 0.000 0.299 362 F C 2.518 178.546 175.800 0.380 0.000 1.087 362 F CA 0.664 58.893 58.000 0.382 0.000 1.340 362 F CB -0.486 38.822 39.000 0.513 0.000 1.031 362 F HN 0.124 nan 8.300 nan 0.000 0.500 363 A N -0.186 122.982 122.820 0.579 0.000 1.855 363 A HA -0.162 4.178 4.320 0.033 0.000 0.215 363 A C 2.063 179.889 177.584 0.402 0.000 1.191 363 A CA 1.522 53.852 52.037 0.489 0.000 0.613 363 A CB -1.147 18.194 19.000 0.568 0.000 0.829 363 A HN 0.317 nan 8.150 nan 0.000 0.442 364 L N 0.393 121.792 121.223 0.294 0.000 2.012 364 L HA -0.074 4.285 4.340 0.033 0.000 0.210 364 L C 2.382 179.282 176.870 0.050 0.000 1.073 364 L CA 2.549 57.421 54.840 0.052 0.000 0.748 364 L CB -1.254 40.613 42.059 -0.320 0.000 0.891 364 L HN 0.313 nan 8.230 nan 0.000 0.431 365 G N -1.214 107.621 108.800 0.058 0.000 2.440 365 G HA2 -0.376 3.603 3.960 0.033 0.000 0.218 365 G HA3 -0.376 3.603 3.960 0.033 0.000 0.218 365 G C 1.604 176.561 174.900 0.094 0.000 1.154 365 G CA 0.907 46.016 45.100 0.015 0.000 0.767 365 G HN 0.510 nan 8.290 nan 0.000 0.552 366 F N 1.653 121.654 119.950 0.084 0.000 2.126 366 F HA -0.041 4.506 4.527 0.033 0.000 0.299 366 F C 2.626 178.475 175.800 0.081 0.000 1.096 366 F CA 1.945 59.999 58.000 0.089 0.000 1.255 366 F CB -0.032 39.027 39.000 0.099 0.000 0.997 366 F HN 0.067 nan 8.300 nan 0.000 0.479 367 K N -0.170 120.283 120.400 0.088 0.000 2.097 367 K HA -0.087 4.253 4.320 0.033 0.000 0.205 367 K C 2.015 178.618 176.600 0.005 0.000 1.050 367 K CA 1.445 57.743 56.287 0.019 0.000 0.938 367 K CB -0.442 32.134 32.500 0.126 0.000 0.718 367 K HN 0.203 nan 8.250 nan 0.000 0.442 368 V N 1.524 121.439 119.914 0.002 0.000 2.295 368 V HA -0.245 3.894 4.120 0.033 0.000 0.246 368 V C 2.372 178.472 176.094 0.010 0.000 1.049 368 V CA 2.079 64.391 62.300 0.021 0.000 1.024 368 V CB -0.679 31.136 31.823 -0.013 0.000 0.648 368 V HN 0.344 nan 8.190 nan 0.000 0.447 369 A N -1.095 121.702 122.820 -0.038 0.000 1.933 369 A HA -0.256 4.084 4.320 0.033 0.000 0.218 369 A C 2.156 179.681 177.584 -0.099 0.000 1.175 369 A CA 1.891 53.914 52.037 -0.022 0.000 0.628 369 A CB -0.756 18.233 19.000 -0.018 0.000 0.814 369 A HN 0.613 nan 8.150 nan 0.000 0.444 370 Y N 0.524 120.607 120.300 -0.362 0.000 2.181 370 Y HA -0.186 4.383 4.550 0.033 0.000 0.288 370 Y C 2.364 178.170 175.900 -0.158 0.000 1.146 370 Y CA 2.167 60.038 58.100 -0.382 0.000 1.164 370 Y CB -0.137 37.994 38.460 -0.548 0.000 0.982 370 Y HN 0.206 nan 8.280 nan 0.000 0.515 371 K N -0.072 120.302 120.400 -0.043 0.000 2.001 371 K HA -0.163 4.177 4.320 0.033 0.000 0.208 371 K C 2.137 178.748 176.600 0.019 0.000 1.048 371 K CA 1.586 57.890 56.287 0.028 0.000 0.932 371 K CB -0.527 32.106 32.500 0.220 0.000 0.715 371 K HN 0.347 nan 8.250 nan 0.000 0.437 372 L N 0.765 121.955 121.223 -0.055 0.000 2.021 372 L HA -0.275 4.085 4.340 0.033 0.000 0.215 372 L C 2.399 179.196 176.870 -0.122 0.000 1.074 372 L CA 1.334 56.015 54.840 -0.265 0.000 0.760 372 L CB -0.603 41.335 42.059 -0.201 0.000 0.889 372 L HN 0.022 nan 8.230 nan 0.000 0.433 373 V N -0.515 119.330 119.914 -0.115 0.000 2.427 373 V HA -0.265 3.875 4.120 0.033 0.000 0.248 373 V C 2.475 178.439 176.094 -0.216 0.000 1.051 373 V CA 1.781 63.975 62.300 -0.177 0.000 1.048 373 V CB -0.479 31.162 31.823 -0.304 0.000 0.666 373 V HN 0.421 nan 8.190 nan 0.000 0.456 374 K N 0.251 120.475 120.400 -0.293 0.000 1.991 374 K HA -0.179 4.160 4.320 0.033 0.000 0.207 374 K C 1.788 178.321 176.600 -0.112 0.000 1.045 374 K CA 1.796 57.924 56.287 -0.265 0.000 0.937 374 K CB -0.218 32.058 32.500 -0.373 0.000 0.720 374 K HN 0.357 nan 8.250 nan 0.000 0.438 375 D N -0.201 120.175 120.400 -0.040 0.000 2.309 375 D HA -0.046 4.614 4.640 0.033 0.000 0.212 375 D C 0.922 177.226 176.300 0.008 0.000 0.968 375 D CA 1.258 55.278 54.000 0.032 0.000 0.882 375 D CB -0.237 40.666 40.800 0.171 0.000 0.918 375 D HN 0.581 nan 8.370 nan 0.000 0.503 376 G N 0.544 109.323 108.800 -0.034 0.000 2.233 376 G HA2 -0.344 3.635 3.960 0.033 0.000 0.270 376 G HA3 -0.344 3.635 3.960 0.033 0.000 0.270 376 G C 1.228 176.128 174.900 0.000 0.000 1.011 376 G CA 0.649 45.736 45.100 -0.021 0.000 0.762 376 G HN 0.405 nan 8.290 nan 0.000 0.511 377 V N -0.043 119.850 119.914 -0.035 0.000 2.287 377 V HA -0.175 3.964 4.120 0.033 0.000 0.248 377 V C 2.703 178.796 176.094 -0.001 0.000 1.053 377 V CA 2.780 65.065 62.300 -0.026 0.000 1.027 377 V CB -0.220 31.528 31.823 -0.126 0.000 0.646 377 V HN 0.559 nan 8.190 nan 0.000 0.447 378 L N -0.437 120.756 121.223 -0.049 0.000 2.072 378 L HA -0.090 4.269 4.340 0.033 0.000 0.205 378 L C 2.376 179.317 176.870 0.119 0.000 1.079 378 L CA 1.772 56.615 54.840 0.005 0.000 0.752 378 L CB -0.861 41.142 42.059 -0.093 0.000 0.906 378 L HN 0.311 nan 8.230 nan 0.000 0.436 379 D N 0.364 120.819 120.400 0.092 0.000 2.178 379 D HA -0.159 4.501 4.640 0.033 0.000 0.201 379 D C 2.154 178.508 176.300 0.089 0.000 0.980 379 D CA 1.122 55.173 54.000 0.086 0.000 0.842 379 D CB 0.013 40.838 40.800 0.042 0.000 0.948 379 D HN 0.235 nan 8.370 nan 0.000 0.472 380 K N -0.408 120.050 120.400 0.098 0.000 2.031 380 K HA -0.060 4.279 4.320 0.033 0.000 0.205 380 K C 1.970 178.641 176.600 0.119 0.000 1.049 380 K CA 0.507 56.849 56.287 0.093 0.000 0.939 380 K CB -0.304 32.250 32.500 0.091 0.000 0.717 380 K HN 0.074 nan 8.250 nan 0.000 0.438 381 F N 1.870 121.856 119.950 0.061 0.000 2.120 381 F HA -0.229 4.318 4.527 0.033 0.000 0.300 381 F C 1.797 177.659 175.800 0.104 0.000 1.095 381 F CA 1.451 59.499 58.000 0.081 0.000 1.249 381 F CB -0.098 38.953 39.000 0.085 0.000 0.995 381 F HN -0.062 nan 8.300 nan 0.000 0.480 382 I N 0.246 120.922 120.570 0.177 0.000 2.252 382 I HA -0.263 3.926 4.170 0.033 0.000 0.245 382 I C 2.513 178.714 176.117 0.141 0.000 1.102 382 I CA 1.732 63.144 61.300 0.187 0.000 1.385 382 I CB -0.630 37.504 38.000 0.223 0.000 1.064 382 I HN 0.285 nan 8.210 nan 0.000 0.414 383 E N 1.373 121.613 120.200 0.067 0.000 2.085 383 E HA -0.290 4.080 4.350 0.033 0.000 0.194 383 E C 2.140 178.758 176.600 0.030 0.000 0.994 383 E CA 1.913 58.343 56.400 0.050 0.000 0.801 383 E CB 0.068 29.785 29.700 0.028 0.000 0.743 383 E HN 0.556 nan 8.360 nan 0.000 0.453 384 E N 1.782 121.952 120.200 -0.051 0.000 2.107 384 E HA -0.170 4.200 4.350 0.033 0.000 0.191 384 E C 1.817 178.320 176.600 -0.161 0.000 0.982 384 E CA 1.262 57.599 56.400 -0.104 0.000 0.809 384 E CB -0.636 28.977 29.700 -0.145 0.000 0.756 384 E HN 0.308 nan 8.360 nan 0.000 0.459 385 K N -1.162 119.066 120.400 -0.287 0.000 2.097 385 K HA -0.119 4.221 4.320 0.033 0.000 0.206 385 K C 0.816 177.278 176.600 -0.230 0.000 1.049 385 K CA 1.511 57.581 56.287 -0.362 0.000 0.933 385 K CB -0.200 31.983 32.500 -0.527 0.000 0.717 385 K HN 0.518 nan 8.250 nan 0.000 0.442 386 Y N 0.272 120.559 120.300 -0.023 0.000 2.625 386 Y HA 0.233 4.803 4.550 0.033 0.000 0.285 386 Y C 1.688 177.682 175.900 0.157 0.000 1.168 386 Y CA -0.378 57.798 58.100 0.128 0.000 1.250 386 Y CB 0.160 38.673 38.460 0.089 0.000 1.130 386 Y HN 0.019 nan 8.280 nan 0.000 0.526 387 R N 0.756 121.346 120.500 0.150 0.000 2.113 387 R HA -0.224 4.136 4.340 0.033 0.000 0.244 387 R C 2.266 178.596 176.300 0.050 0.000 1.142 387 R CA 2.076 58.223 56.100 0.078 0.000 0.953 387 R CB -0.231 30.073 30.300 0.006 0.000 0.860 387 R HN 0.442 nan 8.270 nan 0.000 0.438 388 S N -0.698 114.987 115.700 -0.025 0.000 2.493 388 S HA -0.121 4.368 4.470 0.033 0.000 0.243 388 S C 1.389 175.822 174.600 -0.278 0.000 0.991 388 S CA 0.842 58.936 58.200 -0.177 0.000 0.957 388 S CB -0.353 62.669 63.200 -0.296 0.000 0.756 388 S HN 0.331 nan 8.310 nan 0.000 0.521 389 F N 1.590 121.554 119.950 0.023 0.000 2.797 389 F HA 0.355 4.902 4.527 0.033 0.000 0.302 389 F C 2.763 178.565 175.800 0.004 0.000 1.130 389 F CA 0.419 58.431 58.000 0.019 0.000 1.387 389 F CB -0.315 38.715 39.000 0.051 0.000 1.107 389 F HN 0.346 nan 8.300 nan 0.000 0.577 390 R N 0.498 121.064 120.500 0.110 0.000 2.123 390 R HA 0.175 4.535 4.340 0.033 0.000 0.209 390 R C 0.898 177.206 176.300 0.014 0.000 1.078 390 R CA 0.653 56.790 56.100 0.062 0.000 1.028 390 R CB -0.805 29.527 30.300 0.052 0.000 0.939 390 R HN 0.286 nan 8.270 nan 0.000 0.463 391 E N -0.884 119.307 120.200 -0.015 0.000 2.351 391 E HA 0.444 4.814 4.350 0.033 0.000 0.255 391 E C 0.895 177.457 176.600 -0.063 0.000 1.188 391 E CA -0.250 56.130 56.400 -0.033 0.000 0.940 391 E CB 0.769 30.448 29.700 -0.036 0.000 1.094 391 E HN 0.545 nan 8.360 nan 0.000 0.474 392 G N 1.059 109.825 108.800 -0.057 0.000 2.616 392 G HA2 -0.379 3.601 3.960 0.033 0.000 0.361 392 G HA3 -0.379 3.601 3.960 0.033 0.000 0.361 392 G C 0.883 175.705 174.900 -0.131 0.000 1.361 392 G CA 0.731 45.783 45.100 -0.081 0.000 0.969 392 G HN 0.594 nan 8.290 nan 0.000 0.528 393 I N 1.904 122.332 120.570 -0.237 0.000 2.423 393 I HA 0.020 4.210 4.170 0.033 0.000 0.254 393 I C 2.816 178.790 176.117 -0.239 0.000 1.151 393 I CA 2.601 63.702 61.300 -0.331 0.000 1.421 393 I CB -0.868 36.668 38.000 -0.773 0.000 1.079 393 I HN 0.691 nan 8.210 nan 0.000 0.431 394 G N 0.006 108.652 108.800 -0.256 0.000 2.529 394 G HA2 -0.420 3.559 3.960 0.033 0.000 0.219 394 G HA3 -0.420 3.559 3.960 0.033 0.000 0.219 394 G C 1.892 176.799 174.900 0.011 0.000 1.177 394 G CA 1.628 46.589 45.100 -0.232 0.000 0.773 394 G HN 0.502 nan 8.290 nan 0.000 0.573 395 R N 0.510 121.008 120.500 -0.003 0.000 2.092 395 R HA -0.034 4.325 4.340 0.033 0.000 0.231 395 R C 2.190 178.504 176.300 0.023 0.000 1.119 395 R CA 2.018 58.140 56.100 0.037 0.000 0.970 395 R CB -1.325 28.983 30.300 0.014 0.000 0.864 395 R HN 0.416 nan 8.270 nan 0.000 0.440 396 D N 0.582 120.972 120.400 -0.016 0.000 2.123 396 D HA -0.100 4.559 4.640 0.033 0.000 0.196 396 D C 1.946 178.252 176.300 0.010 0.000 0.992 396 D CA 1.487 55.477 54.000 -0.016 0.000 0.833 396 D CB -0.164 40.605 40.800 -0.052 0.000 0.954 396 D HN 0.518 nan 8.370 nan 0.000 0.455 397 I N 0.473 121.059 120.570 0.026 0.000 2.113 397 I HA -0.262 3.928 4.170 0.033 0.000 0.238 397 I C 2.517 178.687 176.117 0.087 0.000 1.070 397 I CA 0.754 62.100 61.300 0.076 0.000 1.332 397 I CB -0.317 37.769 38.000 0.143 0.000 1.044 397 I HN -0.112 nan 8.210 nan 0.000 0.402 398 V N 1.089 121.073 119.914 0.117 0.000 2.282 398 V HA -0.326 3.814 4.120 0.033 0.000 0.249 398 V C 2.979 179.095 176.094 0.037 0.000 1.057 398 V CA 2.603 64.949 62.300 0.076 0.000 1.032 398 V CB -1.477 30.399 31.823 0.089 0.000 0.645 398 V HN 0.648 nan 8.190 nan 0.000 0.447 399 E N -0.663 119.557 120.200 0.032 0.000 2.204 399 E HA 0.110 4.479 4.350 0.033 0.000 0.194 399 E C 1.907 178.514 176.600 0.012 0.000 0.989 399 E CA 1.621 58.031 56.400 0.016 0.000 0.824 399 E CB -0.695 29.012 29.700 0.012 0.000 0.756 399 E HN 1.355 nan 8.360 nan 0.000 0.477 400 G N -2.267 106.543 108.800 0.017 0.000 2.131 400 G HA2 0.019 3.999 3.960 0.033 0.000 0.201 400 G HA3 0.019 3.999 3.960 0.033 0.000 0.201 400 G C 1.120 176.025 174.900 0.008 0.000 1.000 400 G CA 1.054 46.160 45.100 0.011 0.000 0.680 400 G HN 1.290 nan 8.290 nan 0.000 0.514 401 K N -0.758 119.647 120.400 0.009 0.000 2.305 401 K HA 0.714 5.054 4.320 0.033 0.000 0.199 401 K C 1.263 177.869 176.600 0.010 0.000 1.047 401 K CA 1.430 57.720 56.287 0.006 0.000 0.976 401 K CB 0.317 32.817 32.500 0.001 0.000 0.765 401 K HN 0.972 nan 8.250 nan 0.000 0.474 402 V N 2.460 122.384 119.914 0.016 0.000 2.863 402 V HA 0.432 4.572 4.120 0.033 0.000 0.307 402 V C -0.610 175.511 176.094 0.046 0.000 1.061 402 V CA -0.632 61.686 62.300 0.030 0.000 1.024 402 V CB 1.606 33.445 31.823 0.027 0.000 1.049 402 V HN 0.776 nan 8.190 nan 0.000 0.471 403 D N 0.506 120.951 120.400 0.075 0.000 2.636 403 D HA 0.320 4.980 4.640 0.033 0.000 0.275 403 D C 0.475 176.918 176.300 0.239 0.000 1.130 403 D CA -0.735 53.319 54.000 0.090 0.000 1.031 403 D CB 0.619 41.441 40.800 0.035 0.000 1.451 403 D HN 0.126 nan 8.370 nan 0.000 0.505 404 F N 0.518 120.483 119.950 0.025 0.000 2.126 404 F HA -0.061 4.486 4.527 0.033 0.000 0.299 404 F C 2.136 177.956 175.800 0.033 0.000 1.096 404 F CA 1.306 59.324 58.000 0.030 0.000 1.255 404 F CB -0.724 38.292 39.000 0.026 0.000 0.997 404 F HN 0.467 nan 8.300 nan 0.000 0.479 405 E N 0.057 120.396 120.200 0.231 0.000 2.051 405 E HA -0.228 4.142 4.350 0.033 0.000 0.192 405 E C 2.488 179.152 176.600 0.107 0.000 0.991 405 E CA 1.863 58.343 56.400 0.134 0.000 0.799 405 E CB -0.297 29.462 29.700 0.098 0.000 0.748 405 E HN 0.397 nan 8.360 nan 0.000 0.449 406 K N 1.200 121.663 120.400 0.105 0.000 2.147 406 K HA -0.082 4.257 4.320 0.033 0.000 0.205 406 K C 1.930 178.599 176.600 0.116 0.000 1.049 406 K CA 1.197 57.539 56.287 0.092 0.000 0.936 406 K CB -0.939 31.603 32.500 0.070 0.000 0.722 406 K HN 0.063 nan 8.250 nan 0.000 0.446 407 L N 0.031 121.330 121.223 0.126 0.000 2.109 407 L HA -0.094 4.266 4.340 0.033 0.000 0.207 407 L C 2.884 179.826 176.870 0.121 0.000 1.086 407 L CA 1.525 56.442 54.840 0.129 0.000 0.760 407 L CB -0.097 42.031 42.059 0.115 0.000 0.910 407 L HN 0.609 nan 8.230 nan 0.000 0.437 408 E N 0.509 120.754 120.200 0.076 0.000 2.077 408 E HA -0.261 4.108 4.350 0.033 0.000 0.193 408 E C 2.222 178.851 176.600 0.049 0.000 0.989 408 E CA 1.611 58.034 56.400 0.037 0.000 0.800 408 E CB 0.129 29.843 29.700 0.023 0.000 0.746 408 E HN 0.489 nan 8.360 nan 0.000 0.452 409 E N 0.612 120.854 120.200 0.070 0.000 2.038 409 E HA -0.265 4.104 4.350 0.033 0.000 0.195 409 E C 1.688 178.329 176.600 0.067 0.000 1.000 409 E CA 1.576 58.012 56.400 0.060 0.000 0.803 409 E CB -1.373 28.369 29.700 0.069 0.000 0.750 409 E HN 0.597 nan 8.360 nan 0.000 0.448 410 Y N -0.162 120.137 120.300 -0.002 0.000 2.207 410 Y HA -0.108 4.461 4.550 0.033 0.000 0.287 410 Y C 2.173 178.063 175.900 -0.017 0.000 1.156 410 Y CA 2.072 60.166 58.100 -0.009 0.000 1.182 410 Y CB 0.122 38.577 38.460 -0.008 0.000 0.979 410 Y HN 0.266 nan 8.280 nan 0.000 0.521 411 I N -0.318 120.231 120.570 -0.035 0.000 3.854 411 I HA -0.024 4.166 4.170 0.033 0.000 0.312 411 I C 2.666 178.723 176.117 -0.101 0.000 1.273 411 I CA 0.982 62.214 61.300 -0.114 0.000 1.298 411 I CB -0.955 37.081 38.000 0.058 0.000 1.071 411 I HN 0.304 nan 8.210 nan 0.000 0.428 412 I N 0.278 120.810 120.570 -0.064 0.000 2.227 412 I HA -0.313 3.877 4.170 0.033 0.000 0.250 412 I C 1.739 177.818 176.117 -0.064 0.000 1.087 412 I CA 2.588 63.858 61.300 -0.051 0.000 1.352 412 I CB -0.841 37.139 38.000 -0.034 0.000 1.043 412 I HN 0.228 nan 8.210 nan 0.000 0.425 413 D N -0.168 120.178 120.400 -0.091 0.000 2.441 413 D HA 0.265 4.924 4.640 0.033 0.000 0.210 413 D C 1.158 177.399 176.300 -0.098 0.000 1.102 413 D CA 0.814 54.764 54.000 -0.083 0.000 0.840 413 D CB 0.052 40.806 40.800 -0.076 0.000 0.990 413 D HN 0.733 nan 8.370 nan 0.000 0.505 414 K N 1.576 121.896 120.400 -0.134 0.000 2.436 414 K HA 0.304 4.644 4.320 0.033 0.000 0.282 414 K C 0.948 177.499 176.600 -0.082 0.000 1.044 414 K CA 0.650 56.858 56.287 -0.131 0.000 1.028 414 K CB -0.693 31.699 32.500 -0.179 0.000 0.919 414 K HN 0.289 nan 8.250 nan 0.000 0.474 415 E N 1.436 121.596 120.200 -0.067 0.000 2.011 415 E HA 0.030 4.400 4.350 0.033 0.000 0.191 415 E C 1.013 177.590 176.600 -0.040 0.000 0.980 415 E CA 1.526 57.898 56.400 -0.047 0.000 0.814 415 E CB -0.288 29.388 29.700 -0.041 0.000 0.775 415 E HN 0.737 nan 8.360 nan 0.000 0.454 416 T N 0.087 114.618 114.554 -0.039 0.000 2.859 416 T HA 0.661 5.031 4.350 0.033 0.000 0.281 416 T C -0.184 174.497 174.700 -0.031 0.000 1.005 416 T CA -0.289 61.792 62.100 -0.030 0.000 1.025 416 T CB 1.282 70.134 68.868 -0.026 0.000 0.977 416 T HN 0.315 nan 8.240 nan 0.000 0.458 417 I N 2.072 122.627 120.570 -0.024 0.000 2.406 417 I HA 0.517 4.707 4.170 0.033 0.000 0.290 417 I C 0.572 176.677 176.117 -0.019 0.000 0.999 417 I CA -0.945 60.343 61.300 -0.020 0.000 1.124 417 I CB 1.428 39.420 38.000 -0.013 0.000 1.289 417 I HN 0.752 nan 8.210 nan 0.000 0.441 418 E N 7.644 127.831 120.200 -0.021 0.000 2.259 418 E HA 0.680 5.049 4.350 0.033 0.000 0.281 418 E C -1.098 175.487 176.600 -0.026 0.000 1.027 418 E CA -0.346 56.041 56.400 -0.022 0.000 0.838 418 E CB 1.369 31.055 29.700 -0.024 0.000 1.066 418 E HN 0.572 nan 8.360 nan 0.000 0.401 419 L N 2.806 124.016 121.223 -0.022 0.000 2.362 419 L HA 0.618 4.978 4.340 0.033 0.000 0.271 419 L C -2.070 174.786 176.870 -0.024 0.000 1.002 419 L CA -1.961 52.864 54.840 -0.025 0.000 0.818 419 L CB 2.261 44.311 42.059 -0.015 0.000 1.298 419 L HN 0.572 nan 8.230 nan 0.000 0.420 420 P HA 0.270 nan 4.420 nan 0.000 0.281 420 P C -0.597 176.710 177.300 0.011 0.000 1.249 420 P CA -0.453 62.633 63.100 -0.024 0.000 0.810 420 P CB 1.200 32.860 31.700 -0.066 0.000 1.008 421 S N -0.313 115.412 115.700 0.041 0.000 2.584 421 S HA 0.305 4.795 4.470 0.033 0.000 0.270 421 S C 1.560 176.239 174.600 0.132 0.000 1.346 421 S CA 0.123 58.363 58.200 0.067 0.000 1.018 421 S CB 0.257 63.495 63.200 0.064 0.000 0.899 421 S HN 0.597 nan 8.310 nan 0.000 0.542 422 G N 1.018 109.889 108.800 0.119 0.000 2.539 422 G HA2 0.057 4.037 3.960 0.033 0.000 0.215 422 G HA3 0.057 4.037 3.960 0.033 0.000 0.215 422 G C 0.418 175.417 174.900 0.166 0.000 1.141 422 G CA 0.024 45.221 45.100 0.161 0.000 0.806 422 G HN 0.763 nan 8.290 nan 0.000 0.533 423 K N -0.421 120.041 120.400 0.104 0.000 3.274 423 K HA -0.269 4.071 4.320 0.033 0.000 0.300 423 K C 1.472 178.051 176.600 -0.036 0.000 1.230 423 K CA 1.170 57.486 56.287 0.048 0.000 0.884 423 K CB -1.628 30.900 32.500 0.047 0.000 1.242 423 K HN 0.648 nan 8.250 nan 0.000 0.467 424 Q N 1.117 120.895 119.800 -0.037 0.000 2.077 424 Q HA -0.234 4.126 4.340 0.033 0.000 0.206 424 Q C 1.249 177.210 176.000 -0.065 0.000 0.989 424 Q CA 2.402 58.163 55.803 -0.071 0.000 0.853 424 Q CB 0.072 28.786 28.738 -0.040 0.000 0.907 424 Q HN 0.446 nan 8.270 nan 0.000 0.418 425 E N -0.502 119.688 120.200 -0.017 0.000 2.118 425 E HA -0.207 4.163 4.350 0.033 0.000 0.195 425 E C 1.495 178.104 176.600 0.016 0.000 0.992 425 E CA 1.354 57.751 56.400 -0.005 0.000 0.804 425 E CB -0.384 29.326 29.700 0.017 0.000 0.741 425 E HN 0.485 nan 8.360 nan 0.000 0.458 426 Y N 0.732 120.976 120.300 -0.094 0.000 2.109 426 Y HA -0.166 4.404 4.550 0.033 0.000 0.285 426 Y C 1.732 177.552 175.900 -0.134 0.000 1.131 426 Y CA 1.092 59.132 58.100 -0.099 0.000 1.121 426 Y CB -0.408 37.989 38.460 -0.105 0.000 0.987 426 Y HN -0.027 nan 8.280 nan 0.000 0.495 427 L N 1.009 121.980 121.223 -0.420 0.000 2.081 427 L HA -0.239 4.120 4.340 0.033 0.000 0.212 427 L C 2.304 178.962 176.870 -0.352 0.000 1.080 427 L CA 1.906 56.442 54.840 -0.506 0.000 0.754 427 L CB -1.550 40.254 42.059 -0.425 0.000 0.893 427 L HN 0.400 nan 8.230 nan 0.000 0.433 428 E N -0.566 119.495 120.200 -0.233 0.000 2.072 428 E HA -0.172 4.198 4.350 0.033 0.000 0.191 428 E C 2.226 178.751 176.600 -0.123 0.000 0.985 428 E CA 1.433 57.737 56.400 -0.160 0.000 0.801 428 E CB -0.058 29.566 29.700 -0.126 0.000 0.750 428 E HN 0.602 nan 8.360 nan 0.000 0.452 429 S N 1.131 116.753 115.700 -0.131 0.000 2.399 429 S HA -0.136 4.354 4.470 0.033 0.000 0.231 429 S C 2.091 176.633 174.600 -0.096 0.000 1.022 429 S CA 0.633 58.787 58.200 -0.077 0.000 0.983 429 S CB -0.472 62.705 63.200 -0.037 0.000 0.803 429 S HN 0.164 nan 8.310 nan 0.000 0.480 430 L N 0.209 121.295 121.223 -0.227 0.000 2.012 430 L HA -0.087 4.273 4.340 0.033 0.000 0.210 430 L C 2.546 179.401 176.870 -0.025 0.000 1.073 430 L CA 1.305 56.043 54.840 -0.170 0.000 0.748 430 L CB -0.601 41.238 42.059 -0.365 0.000 0.891 430 L HN 0.286 nan 8.230 nan 0.000 0.431 431 I N 0.147 120.666 120.570 -0.084 0.000 2.248 431 I HA -0.336 3.853 4.170 0.033 0.000 0.248 431 I C 2.105 178.265 176.117 0.072 0.000 1.107 431 I CA 1.676 62.965 61.300 -0.018 0.000 1.373 431 I CB -0.582 37.413 38.000 -0.008 0.000 1.055 431 I HN 0.281 nan 8.210 nan 0.000 0.418 432 N N -0.691 118.057 118.700 0.080 0.000 2.142 432 N HA -0.150 4.609 4.740 0.033 0.000 0.186 432 N C 1.931 177.469 175.510 0.046 0.000 1.023 432 N CA 1.311 54.409 53.050 0.079 0.000 0.852 432 N CB -0.055 38.482 38.487 0.083 0.000 0.998 432 N HN 0.220 nan 8.380 nan 0.000 0.424 433 S N 0.087 115.823 115.700 0.059 0.000 2.368 433 S HA -0.107 4.382 4.470 0.033 0.000 0.225 433 S C 1.487 176.081 174.600 -0.010 0.000 1.030 433 S CA 0.995 59.211 58.200 0.026 0.000 0.999 433 S CB -0.308 62.912 63.200 0.034 0.000 0.844 433 S HN 0.368 nan 8.310 nan 0.000 0.459 434 Y N 1.411 121.674 120.300 -0.062 0.000 2.352 434 Y HA 0.088 4.657 4.550 0.033 0.000 0.292 434 Y C 1.974 177.833 175.900 -0.070 0.000 1.136 434 Y CA 0.208 58.271 58.100 -0.061 0.000 1.227 434 Y CB -0.445 37.974 38.460 -0.069 0.000 0.991 434 Y HN 0.232 nan 8.280 nan 0.000 0.545 435 I N -1.444 119.151 120.570 0.041 0.000 2.252 435 I HA -0.263 3.927 4.170 0.033 0.000 0.245 435 I C 2.061 178.139 176.117 -0.065 0.000 1.102 435 I CA 0.932 62.201 61.300 -0.053 0.000 1.385 435 I CB -0.501 37.422 38.000 -0.128 0.000 1.064 435 I HN -0.006 nan 8.210 nan 0.000 0.414 436 V N 0.818 120.700 119.914 -0.054 0.000 2.358 436 V HA -0.266 3.874 4.120 0.033 0.000 0.246 436 V C 2.448 178.500 176.094 -0.069 0.000 1.047 436 V CA 1.720 63.987 62.300 -0.055 0.000 1.035 436 V CB -0.669 31.129 31.823 -0.042 0.000 0.658 436 V HN 0.355 nan 8.190 nan 0.000 0.452 437 K N -0.012 120.320 120.400 -0.113 0.000 2.020 437 K HA -0.199 4.141 4.320 0.033 0.000 0.212 437 K C 2.238 178.787 176.600 -0.085 0.000 1.050 437 K CA 2.166 58.366 56.287 -0.146 0.000 0.929 437 K CB -0.541 31.773 32.500 -0.311 0.000 0.714 437 K HN 0.513 nan 8.250 nan 0.000 0.443 438 T N 1.709 116.225 114.554 -0.063 0.000 2.746 438 T HA -0.119 4.251 4.350 0.033 0.000 0.267 438 T C 1.925 176.617 174.700 -0.012 0.000 1.039 438 T CA 1.187 63.275 62.100 -0.020 0.000 1.142 438 T CB -0.224 68.641 68.868 -0.005 0.000 0.866 438 T HN 0.152 nan 8.240 nan 0.000 0.444 439 I N 0.871 121.421 120.570 -0.034 0.000 2.264 439 I HA -0.146 4.043 4.170 0.033 0.000 0.248 439 I C 2.163 178.292 176.117 0.020 0.000 1.111 439 I CA 1.222 62.512 61.300 -0.016 0.000 1.382 439 I CB -0.393 37.585 38.000 -0.037 0.000 1.060 439 I HN 0.225 nan 8.210 nan 0.000 0.418 440 L N 0.058 121.283 121.223 0.003 0.000 2.201 440 L HA -0.160 4.200 4.340 0.033 0.000 0.212 440 L C 1.762 178.647 176.870 0.026 0.000 1.105 440 L CA 1.194 56.041 54.840 0.012 0.000 0.775 440 L CB -0.464 41.590 42.059 -0.009 0.000 0.913 440 L HN 0.290 nan 8.230 nan 0.000 0.440 441 E N -0.329 119.888 120.200 0.028 0.000 2.465 441 E HA 0.075 4.445 4.350 0.033 0.000 0.191 441 E C -0.161 176.483 176.600 0.074 0.000 1.053 441 E CA -0.336 56.089 56.400 0.043 0.000 0.869 441 E CB 0.450 30.171 29.700 0.035 0.000 0.977 441 E HN 0.145 nan 8.360 nan 0.000 0.483 442 L N 1.440 122.719 121.223 0.093 0.000 2.371 442 L HA 0.255 4.615 4.340 0.033 0.000 0.272 442 L C 0.831 177.803 176.870 0.170 0.000 1.124 442 L CA 0.435 55.367 54.840 0.153 0.000 0.816 442 L CB 0.550 42.722 42.059 0.189 0.000 1.129 442 L HN 0.008 nan 8.230 nan 0.000 0.448 443 R N 0.000 120.635 120.500 0.225 0.000 2.786 443 R HA 0.000 4.360 4.340 0.033 0.000 0.208 443 R CA 0.000 56.239 56.100 0.232 0.000 0.921 443 R CB 0.000 30.447 30.300 0.245 0.000 0.687 443 R HN 0.000 nan 8.270 nan 0.000 0.535