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 2gsy_1_M DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.145 0.000 1.349 8 T CB 0.000 68.835 68.868 -0.055 0.000 0.612 9 Q N 0.452 120.158 119.800 -0.157 0.000 2.285 9 Q HA 0.866 5.206 4.340 0.000 0.000 0.269 9 Q C 0.643 176.572 176.000 -0.118 0.000 1.030 9 Q CA 0.685 56.418 55.803 -0.116 0.000 0.788 9 Q CB 0.729 29.409 28.738 -0.096 0.000 1.266 9 Q HN 2.521 nan 8.270 nan 0.000 0.438 10 Q N 0.477 120.215 119.800 -0.103 0.000 2.363 10 Q HA -0.276 4.064 4.340 0.000 0.000 0.409 10 Q C 1.123 177.046 176.000 -0.128 0.000 1.118 10 Q CA 4.446 60.187 55.803 -0.103 0.000 0.966 10 Q CB -2.630 26.059 28.738 -0.082 0.000 1.795 10 Q HN 2.323 nan 8.270 nan 0.000 0.941 11 I N -6.422 114.077 120.570 -0.119 0.000 3.519 11 I HA 0.729 4.899 4.170 0.000 0.000 0.314 11 I C -0.611 175.437 176.117 -0.115 0.000 1.273 11 I CA -0.604 60.618 61.300 -0.130 0.000 1.108 11 I CB 1.745 39.676 38.000 -0.115 0.000 1.212 11 I HN 0.655 nan 8.210 nan 0.000 0.420 12 V N 1.733 121.609 119.914 -0.063 0.000 2.419 12 V HA 0.291 4.411 4.120 0.000 0.000 0.287 12 V C -1.858 174.272 176.094 0.059 0.000 1.017 12 V CA -1.105 61.177 62.300 -0.030 0.000 0.844 12 V CB 1.074 32.857 31.823 -0.066 0.000 1.011 12 V HN 0.543 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.580 178.955 177.300 0.125 0.000 1.158 13 P CA 1.688 64.837 63.100 0.081 0.000 0.895 13 P CB 0.114 31.863 31.700 0.082 0.000 0.792 14 F N -0.372 119.595 119.950 0.030 0.000 2.146 14 F HA -0.161 4.366 4.527 0.000 0.000 0.298 14 F C 2.040 177.881 175.800 0.068 0.000 1.096 14 F CA 1.279 59.297 58.000 0.031 0.000 1.275 14 F CB -0.721 38.273 39.000 -0.009 0.000 1.008 14 F HN -0.235 nan 8.300 nan 0.000 0.480 15 I N 0.662 121.236 120.570 0.006 0.000 2.226 15 I HA -0.281 3.889 4.170 0.000 0.000 0.245 15 I C 2.586 178.690 176.117 -0.022 0.000 1.100 15 I CA 1.421 62.711 61.300 -0.016 0.000 1.374 15 I CB -1.310 36.846 38.000 0.260 0.000 1.057 15 I HN 0.209 nan 8.210 nan 0.000 0.413 16 R N 0.272 120.836 120.500 0.107 0.000 2.083 16 R HA -0.200 4.140 4.340 0.000 0.000 0.237 16 R C 2.593 178.909 176.300 0.025 0.000 1.137 16 R CA 2.161 58.354 56.100 0.156 0.000 0.951 16 R CB -0.237 30.133 30.300 0.118 0.000 0.851 16 R HN 0.230 nan 8.270 nan 0.000 0.434 17 S N 0.058 115.715 115.700 -0.070 0.000 2.368 17 S HA -0.114 4.356 4.470 0.000 0.000 0.224 17 S C 1.848 176.335 174.600 -0.188 0.000 1.029 17 S CA 1.111 59.248 58.200 -0.105 0.000 0.988 17 S CB -0.246 62.902 63.200 -0.086 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.315 122.304 121.223 -0.390 0.000 2.017 18 L HA 0.129 4.469 4.340 0.000 0.000 0.208 18 L C 1.968 178.761 176.870 -0.128 0.000 1.073 18 L CA 1.806 56.435 54.840 -0.352 0.000 0.745 18 L CB -0.446 41.276 42.059 -0.563 0.000 0.894 18 L HN 0.374 nan 8.230 nan 0.000 0.432 19 L N -1.545 119.623 121.223 -0.090 0.000 2.375 19 L HA 0.081 4.421 4.340 0.000 0.000 0.215 19 L C 0.687 177.640 176.870 0.138 0.000 1.108 19 L CA 0.321 55.175 54.840 0.024 0.000 0.830 19 L CB 0.004 41.993 42.059 -0.116 0.000 0.959 19 L HN 0.237 nan 8.230 nan 0.000 0.457 20 M N -0.534 119.123 119.600 0.095 0.000 2.389 20 M HA 0.238 4.718 4.480 0.000 0.000 0.206 20 M C -1.977 174.363 176.300 0.067 0.000 0.976 20 M CA -1.285 54.096 55.300 0.136 0.000 0.648 20 M CB 1.580 34.254 32.600 0.123 0.000 1.474 20 M HN -0.263 nan 8.290 nan 0.000 0.398 21 P HA -0.161 nan 4.420 nan 0.000 0.219 21 P C 1.375 178.676 177.300 0.002 0.000 1.146 21 P CA 1.495 64.588 63.100 -0.012 0.000 0.808 21 P CB -0.187 31.485 31.700 -0.047 0.000 0.779 22 T N -5.685 108.883 114.554 0.022 0.000 3.077 22 T HA -0.088 4.262 4.350 0.000 0.000 0.269 22 T C 1.697 176.412 174.700 0.025 0.000 1.146 22 T CA 1.435 63.548 62.100 0.023 0.000 1.091 22 T CB -1.422 67.466 68.868 0.035 0.000 0.892 22 T HN 0.021 nan 8.240 nan 0.000 0.533 23 T N 0.771 115.342 114.554 0.028 0.000 3.043 23 T HA 0.464 4.814 4.350 0.000 0.000 0.263 23 T C 0.914 175.628 174.700 0.024 0.000 1.094 23 T CA 1.023 63.138 62.100 0.025 0.000 1.127 23 T CB -0.640 68.246 68.868 0.031 0.000 0.905 23 T HN 0.990 nan 8.240 nan 0.000 0.490 24 G N 1.372 110.186 108.800 0.023 0.000 2.408 24 G HA2 0.071 4.031 3.960 0.000 0.000 0.682 24 G HA3 0.071 4.031 3.960 0.000 0.000 0.682 24 G C -3.328 171.592 174.900 0.033 0.000 1.303 24 G CA -0.946 44.173 45.100 0.032 0.000 0.966 24 G HN 0.077 nan 8.290 nan 0.000 0.560 25 P HA 0.716 nan 4.420 nan 0.000 0.283 25 P C -0.460 176.902 177.300 0.104 0.000 1.271 25 P CA 0.192 63.334 63.100 0.070 0.000 0.841 25 P CB 1.979 33.734 31.700 0.091 0.000 1.122 26 A N 0.532 123.444 122.820 0.153 0.000 2.572 26 A HA 0.599 4.919 4.320 0.000 0.000 0.295 26 A C -0.507 177.233 177.584 0.260 0.000 1.072 26 A CA -0.545 51.615 52.037 0.205 0.000 0.691 26 A CB 0.737 19.874 19.000 0.229 0.000 1.291 26 A HN 0.381 nan 8.150 nan 0.000 0.404 27 S N 0.795 116.632 115.700 0.230 0.000 2.549 27 S HA 0.350 4.820 4.470 0.000 0.000 0.279 27 S C 0.300 174.881 174.600 -0.031 0.000 1.321 27 S CA -0.144 58.163 58.200 0.177 0.000 1.054 27 S CB 0.042 63.411 63.200 0.282 0.000 0.899 27 S HN 0.460 nan 8.310 nan 0.000 0.497 28 I N 5.035 125.473 120.570 -0.220 0.000 2.598 28 I HA 0.103 4.273 4.170 0.000 0.000 0.284 28 I C -1.550 174.231 176.117 -0.560 0.000 1.140 28 I CA -1.402 59.472 61.300 -0.710 0.000 1.420 28 I CB 0.376 38.062 38.000 -0.523 0.000 1.387 28 I HN 0.426 nan 8.210 nan 0.000 0.553 29 P HA 0.102 nan 4.420 nan 0.000 0.214 29 P C -1.015 176.122 177.300 -0.272 0.000 1.807 29 P CA -0.252 62.635 63.100 -0.354 0.000 0.921 29 P CB -0.424 31.091 31.700 -0.309 0.000 1.835 30 D N -1.024 119.228 120.400 -0.246 0.000 2.541 30 D HA 0.117 4.757 4.640 0.000 0.000 0.276 30 D C 0.454 176.734 176.300 -0.034 0.000 1.190 30 D CA -0.369 53.555 54.000 -0.126 0.000 1.095 30 D CB -0.020 40.717 40.800 -0.105 0.000 1.173 30 D HN -0.172 nan 8.370 nan 0.000 0.604 31 D N -1.338 119.063 120.400 0.001 0.000 2.349 31 D HA 0.040 4.680 4.640 0.000 0.000 0.214 31 D C -0.019 176.309 176.300 0.046 0.000 1.063 31 D CA 0.315 54.328 54.000 0.022 0.000 0.847 31 D CB 0.085 40.897 40.800 0.019 0.000 0.933 31 D HN 0.272 nan 8.370 nan 0.000 0.513 32 T N 2.114 116.705 114.554 0.062 0.000 4.104 32 T HA 0.183 4.533 4.350 0.000 0.000 0.285 32 T C 0.886 175.689 174.700 0.171 0.000 1.346 32 T CA -0.095 62.076 62.100 0.118 0.000 1.158 32 T CB -0.300 68.647 68.868 0.133 0.000 1.290 32 T HN 0.032 nan 8.240 nan 0.000 0.975 33 L N 3.450 124.765 121.223 0.154 0.000 2.404 33 L HA 0.260 4.600 4.340 0.000 0.000 0.277 33 L C 0.757 177.837 176.870 0.350 0.000 1.184 33 L CA 0.013 54.996 54.840 0.239 0.000 1.013 33 L CB -0.072 42.044 42.059 0.095 0.000 1.318 33 L HN 0.381 nan 8.230 nan 0.000 0.435 34 E N 2.930 123.319 120.200 0.316 0.000 2.207 34 E HA 0.312 4.662 4.350 0.000 0.000 0.270 34 E C -0.596 176.019 176.600 0.025 0.000 0.927 34 E CA -0.943 55.511 56.400 0.090 0.000 0.799 34 E CB 2.421 31.956 29.700 -0.275 0.000 1.172 34 E HN 0.316 nan 8.360 nan 0.000 0.404 35 K N 3.515 123.679 120.400 -0.394 0.000 2.412 35 K HA 0.046 4.366 4.320 0.000 0.000 0.284 35 K C 0.233 176.749 176.600 -0.139 0.000 1.046 35 K CA 0.321 56.322 56.287 -0.477 0.000 0.999 35 K CB 0.135 32.304 32.500 -0.552 0.000 0.941 35 K HN 0.525 nan 8.250 nan 0.000 0.474 36 H N -0.220 118.785 119.070 -0.108 0.000 2.959 36 H HA 0.484 5.040 4.556 0.000 0.000 0.296 36 H C -1.081 174.278 175.328 0.052 0.000 1.421 36 H CA -0.799 55.259 56.048 0.017 0.000 1.206 36 H CB 1.933 31.797 29.762 0.171 0.000 1.891 36 H HN 0.404 nan 8.280 nan 0.000 0.573 37 T N 0.582 115.248 114.554 0.187 0.000 2.906 37 T HA 0.544 4.894 4.350 0.000 0.000 0.295 37 T C -0.905 173.934 174.700 0.232 0.000 1.061 37 T CA -0.741 61.431 62.100 0.119 0.000 1.000 37 T CB 1.104 70.049 68.868 0.129 0.000 1.103 37 T HN 0.414 nan 8.240 nan 0.000 0.486 38 L N 3.496 124.825 121.223 0.175 0.000 2.296 38 L HA 0.740 5.080 4.340 0.000 0.000 0.286 38 L C 0.016 176.967 176.870 0.136 0.000 1.023 38 L CA -0.745 54.208 54.840 0.188 0.000 0.812 38 L CB 1.594 43.760 42.059 0.179 0.000 1.223 38 L HN 0.506 nan 8.230 nan 0.000 0.421 39 R N 0.922 121.508 120.500 0.144 0.000 2.771 39 R HA 0.604 4.944 4.340 0.000 0.000 0.274 39 R C -1.278 175.138 176.300 0.193 0.000 0.987 39 R CA -0.469 55.716 56.100 0.141 0.000 0.908 39 R CB 2.497 32.848 30.300 0.085 0.000 1.213 39 R HN 0.518 nan 8.270 nan 0.000 0.468 40 S N 1.188 116.984 115.700 0.161 0.000 2.501 40 S HA 0.500 4.970 4.470 0.000 0.000 0.301 40 S C -1.103 173.613 174.600 0.192 0.000 1.096 40 S CA -0.851 57.442 58.200 0.155 0.000 1.063 40 S CB 1.464 64.719 63.200 0.091 0.000 1.042 40 S HN 0.318 nan 8.310 nan 0.000 0.494 41 E N 2.319 122.664 120.200 0.242 0.000 2.224 41 E HA 0.334 4.684 4.350 0.000 0.000 0.265 41 E C -0.411 176.287 176.600 0.164 0.000 0.878 41 E CA -0.498 56.035 56.400 0.221 0.000 0.759 41 E CB 2.024 31.908 29.700 0.306 0.000 1.164 41 E HN 0.724 nan 8.360 nan 0.000 0.414 42 T N -0.557 114.063 114.554 0.110 0.000 2.882 42 T HA 0.504 4.854 4.350 0.000 0.000 0.287 42 T C 0.310 175.063 174.700 0.089 0.000 1.014 42 T CA -0.607 61.539 62.100 0.077 0.000 1.049 42 T CB 0.961 69.853 68.868 0.040 0.000 1.001 42 T HN 0.119 nan 8.240 nan 0.000 0.525 43 S N 1.310 117.062 115.700 0.086 0.000 2.561 43 S HA 0.669 5.139 4.470 0.000 0.000 0.303 43 S C -0.349 174.274 174.600 0.038 0.000 1.110 43 S CA -0.926 57.343 58.200 0.116 0.000 1.034 43 S CB 1.433 64.783 63.200 0.251 0.000 1.010 43 S HN 1.069 nan 8.310 nan 0.000 0.482 44 T N 1.143 115.594 114.554 -0.172 0.000 2.881 44 T HA 0.713 5.063 4.350 0.000 0.000 0.291 44 T C -1.316 173.075 174.700 -0.515 0.000 0.990 44 T CA -0.520 61.461 62.100 -0.198 0.000 0.976 44 T CB 0.416 69.193 68.868 -0.152 0.000 0.970 44 T HN 0.422 nan 8.240 nan 0.000 0.438 45 Y N 1.467 121.772 120.300 0.008 0.000 2.457 45 Y HA 0.551 5.101 4.550 0.000 0.000 0.343 45 Y C -0.174 175.701 175.900 -0.042 0.000 0.994 45 Y CA -1.226 56.864 58.100 -0.016 0.000 1.031 45 Y CB 2.326 40.772 38.460 -0.024 0.000 1.246 45 Y HN 0.569 nan 8.280 nan 0.000 0.449 46 N N 3.992 122.746 118.700 0.090 0.000 2.621 46 N HA 0.383 5.123 4.740 0.000 0.000 0.237 46 N C -1.306 174.208 175.510 0.006 0.000 0.997 46 N CA -0.292 52.772 53.050 0.023 0.000 0.918 46 N CB 0.920 39.408 38.487 0.001 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.954 122.137 121.223 -0.065 0.000 2.350 47 L HA 0.434 4.774 4.340 0.000 0.000 0.275 47 L C 0.711 177.537 176.870 -0.075 0.000 1.099 47 L CA -0.419 54.345 54.840 -0.127 0.000 0.808 47 L CB 0.844 42.637 42.059 -0.444 0.000 1.149 47 L HN 0.171 nan 8.230 nan 0.000 0.442 48 T N 1.831 116.393 114.554 0.013 0.000 2.799 48 T HA 0.338 4.688 4.350 0.000 0.000 0.286 48 T C 0.080 174.845 174.700 0.108 0.000 0.973 48 T CA -0.481 61.642 62.100 0.039 0.000 1.035 48 T CB 1.658 70.551 68.868 0.042 0.000 0.932 48 T HN 0.204 nan 8.240 nan 0.000 0.469 49 V N 3.514 123.475 119.914 0.079 0.000 2.555 49 V HA 0.456 4.576 4.120 0.000 0.000 0.286 49 V C 1.223 177.396 176.094 0.133 0.000 1.044 49 V CA -0.275 62.118 62.300 0.155 0.000 1.026 49 V CB 1.000 32.887 31.823 0.106 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.407 111.300 108.800 0.156 0.000 2.535 50 G HA2 0.166 4.126 3.960 0.000 0.000 0.282 50 G HA3 0.166 4.126 3.960 0.000 0.000 0.282 50 G C 0.548 175.485 174.900 0.061 0.000 1.350 50 G CA -0.234 44.918 45.100 0.087 0.000 1.039 50 G HN 0.675 nan 8.290 nan 0.000 0.509 51 D N -0.517 119.902 120.400 0.031 0.000 2.158 51 D HA -0.151 4.489 4.640 0.000 0.000 0.197 51 D C 2.798 179.102 176.300 0.008 0.000 0.995 51 D CA 2.095 56.104 54.000 0.015 0.000 0.846 51 D CB -0.269 40.531 40.800 0.001 0.000 0.941 51 D HN 0.451 nan 8.370 nan 0.000 0.456 52 T N -3.564 110.990 114.554 -0.000 0.000 3.088 52 T HA 0.216 4.566 4.350 0.000 0.000 0.259 52 T C 1.676 176.374 174.700 -0.002 0.000 1.122 52 T CA 0.874 62.962 62.100 -0.020 0.000 1.095 52 T CB 0.136 68.969 68.868 -0.057 0.000 0.930 52 T HN 0.218 nan 8.240 nan 0.000 0.508 53 G N 0.233 109.061 108.800 0.047 0.000 2.160 53 G HA2 -0.193 3.767 3.960 0.000 0.000 0.251 53 G HA3 -0.193 3.767 3.960 0.000 0.000 0.251 53 G C 0.048 175.034 174.900 0.144 0.000 1.008 53 G CA 0.303 45.461 45.100 0.098 0.000 0.724 53 G HN 1.003 nan 8.290 nan 0.000 0.514 54 S N -1.311 114.426 115.700 0.062 0.000 2.546 54 S HA 0.934 5.404 4.470 0.000 0.000 0.274 54 S C 0.101 174.490 174.600 -0.350 0.000 1.121 54 S CA 0.721 58.830 58.200 -0.152 0.000 0.887 54 S CB 1.867 64.973 63.200 -0.158 0.000 1.094 54 S HN 1.937 nan 8.310 nan 0.000 0.474 55 G N 1.084 109.352 108.800 -0.888 0.000 2.430 55 G HA2 0.554 4.514 3.960 0.000 0.000 0.300 55 G HA3 0.554 4.514 3.960 0.000 0.000 0.300 55 G C -2.483 172.153 174.900 -0.440 0.000 1.330 55 G CA -0.530 44.206 45.100 -0.606 0.000 0.813 55 G HN 0.992 nan 8.290 nan 0.000 0.487 56 L N -0.110 121.142 121.223 0.049 0.000 2.464 56 L HA 0.783 5.123 4.340 0.000 0.000 0.266 56 L C -1.184 175.796 176.870 0.182 0.000 0.965 56 L CA -0.665 54.237 54.840 0.103 0.000 0.833 56 L CB 1.792 43.846 42.059 -0.008 0.000 1.296 56 L HN 0.517 nan 8.230 nan 0.000 0.405 57 I N 5.385 125.999 120.570 0.072 0.000 2.339 57 I HA 0.437 4.607 4.170 0.000 0.000 0.290 57 I C -0.649 175.228 176.117 -0.400 0.000 0.994 57 I CA -0.911 60.281 61.300 -0.181 0.000 1.191 57 I CB 1.828 39.613 38.000 -0.358 0.000 1.343 57 I HN 0.249 nan 8.210 nan 0.000 0.458 58 V N 7.281 126.914 119.914 -0.468 0.000 2.350 58 V HA 0.359 4.479 4.120 0.000 0.000 0.276 58 V C -0.260 175.348 176.094 -0.809 0.000 1.028 58 V CA -0.316 61.648 62.300 -0.560 0.000 0.860 58 V CB 0.787 32.302 31.823 -0.514 0.000 0.990 58 V HN 0.404 nan 8.190 nan 0.000 0.453 59 F N 4.082 123.756 119.950 -0.459 0.000 2.458 59 F HA 0.582 5.109 4.527 0.000 0.000 0.330 59 F C -0.007 175.469 175.800 -0.540 0.000 1.082 59 F CA -0.624 57.124 58.000 -0.419 0.000 0.995 59 F CB 1.745 40.653 39.000 -0.154 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.601 123.724 119.950 0.288 0.000 2.334 60 F HA 0.280 4.807 4.527 0.000 0.000 0.343 60 F C -1.640 174.305 175.800 0.242 0.000 1.136 60 F CA -1.816 56.326 58.000 0.236 0.000 1.237 60 F CB 0.240 39.375 39.000 0.224 0.000 1.525 60 F HN 0.268 nan 8.300 nan 0.000 0.528 61 P HA -0.131 nan 4.420 nan 0.000 0.219 61 P C 1.389 178.793 177.300 0.173 0.000 1.146 61 P CA 1.233 64.426 63.100 0.154 0.000 0.808 61 P CB 0.317 32.062 31.700 0.074 0.000 0.779 62 G N -1.714 107.222 108.800 0.227 0.000 3.233 62 G HA2 0.046 4.006 3.960 0.000 0.000 0.234 62 G HA3 0.046 4.006 3.960 0.000 0.000 0.234 62 G C -0.161 174.892 174.900 0.254 0.000 1.137 62 G CA -0.382 44.828 45.100 0.184 0.000 0.763 62 G HN 0.152 nan 8.290 nan 0.000 0.549 63 F N 3.197 123.280 119.950 0.222 0.000 2.571 63 F HA 0.283 4.810 4.527 0.000 0.000 0.384 63 F C -1.586 174.364 175.800 0.250 0.000 1.058 63 F CA -2.428 55.706 58.000 0.222 0.000 1.200 63 F CB 1.103 40.239 39.000 0.227 0.000 1.077 63 F HN -0.054 nan 8.300 nan 0.000 0.558 64 P HA 0.314 nan 4.420 nan 0.000 0.238 64 P C -0.047 177.198 177.300 -0.092 0.000 1.794 64 P CA 0.364 63.419 63.100 -0.076 0.000 1.088 64 P CB 0.223 31.793 31.700 -0.216 0.000 1.923 65 G N 0.386 109.395 108.800 0.348 0.000 2.368 65 G HA2 0.007 3.967 3.960 0.000 0.000 0.269 65 G HA3 0.007 3.967 3.960 0.000 0.000 0.269 65 G C 0.235 175.395 174.900 0.433 0.000 1.291 65 G CA -0.337 44.929 45.100 0.275 0.000 0.903 65 G HN -0.041 nan 8.290 nan 0.000 0.483 66 S N -0.440 115.441 115.700 0.301 0.000 2.558 66 S HA 0.289 4.759 4.470 0.000 0.000 0.217 66 S C 0.948 175.637 174.600 0.148 0.000 0.975 66 S CA 0.062 58.379 58.200 0.194 0.000 0.912 66 S CB -0.247 63.016 63.200 0.105 0.000 0.776 66 S HN 0.346 nan 8.310 nan 0.000 0.526 67 I N 1.404 121.952 120.570 -0.037 0.000 2.337 67 I HA 0.139 4.309 4.170 0.000 0.000 0.291 67 I C 0.841 176.933 176.117 -0.041 0.000 1.046 67 I CA -0.127 61.003 61.300 -0.282 0.000 1.324 67 I CB 1.399 38.862 38.000 -0.896 0.000 1.409 67 I HN -0.057 nan 8.210 nan 0.000 0.494 68 V N 5.396 125.410 119.914 0.167 0.000 2.922 68 V HA 0.421 4.541 4.120 0.000 0.000 0.242 68 V C 0.965 177.294 176.094 0.390 0.000 1.094 68 V CA 1.081 63.569 62.300 0.313 0.000 1.106 68 V CB 0.363 32.372 31.823 0.310 0.000 0.799 68 V HN 0.965 nan 8.190 nan 0.000 0.474 69 G N -1.144 107.802 108.800 0.244 0.000 2.348 69 G HA2 0.658 4.618 3.960 0.000 0.000 0.296 69 G HA3 0.658 4.618 3.960 0.000 0.000 0.296 69 G C -1.840 173.028 174.900 -0.054 0.000 1.258 69 G CA 0.149 45.233 45.100 -0.027 0.000 0.868 69 G HN 0.650 nan 8.290 nan 0.000 0.488 70 A N -0.601 122.084 122.820 -0.225 0.000 2.549 70 A HA 0.788 5.108 4.320 0.000 0.000 0.297 70 A C -1.276 176.131 177.584 -0.294 0.000 1.061 70 A CA -0.443 51.492 52.037 -0.169 0.000 0.690 70 A CB 1.546 20.556 19.000 0.017 0.000 1.287 70 A HN 1.210 nan 8.150 nan 0.000 0.402 71 H N 1.262 120.032 119.070 -0.499 0.000 2.466 71 H HA 0.646 5.202 4.556 0.000 0.000 0.338 71 H C -1.796 173.232 175.328 -0.500 0.000 1.091 71 H CA -0.273 55.541 56.048 -0.390 0.000 1.207 71 H CB 0.901 30.484 29.762 -0.297 0.000 1.466 71 H HN 0.612 nan 8.280 nan 0.000 0.493 72 Y N 2.074 122.150 120.300 -0.374 0.000 2.425 72 Y HA 0.174 4.724 4.550 0.000 0.000 0.344 72 Y C 0.445 176.171 175.900 -0.290 0.000 0.969 72 Y CA -0.828 57.137 58.100 -0.225 0.000 1.052 72 Y CB 2.147 40.672 38.460 0.108 0.000 1.215 72 Y HN 0.581 nan 8.280 nan 0.000 0.451 73 T N 0.563 115.071 114.554 -0.077 0.000 2.909 73 T HA 0.572 4.922 4.350 0.000 0.000 0.286 73 T C -0.775 173.964 174.700 0.066 0.000 1.002 73 T CA -0.759 61.338 62.100 -0.004 0.000 1.074 73 T CB 1.392 70.253 68.868 -0.013 0.000 0.984 73 T HN 0.461 nan 8.240 nan 0.000 0.495 74 L N 1.981 123.168 121.223 -0.060 0.000 2.312 74 L HA 0.439 4.779 4.340 0.000 0.000 0.281 74 L C -0.037 176.734 176.870 -0.166 0.000 1.070 74 L CA -0.012 54.671 54.840 -0.263 0.000 0.805 74 L CB 1.106 42.949 42.059 -0.360 0.000 1.174 74 L HN 0.758 nan 8.230 nan 0.000 0.434 75 Q N 2.423 122.111 119.800 -0.185 0.000 2.297 75 Q HA 0.355 4.695 4.340 0.000 0.000 0.269 75 Q C 0.933 176.867 176.000 -0.111 0.000 1.051 75 Q CA -0.165 55.573 55.803 -0.109 0.000 0.869 75 Q CB 1.430 30.122 28.738 -0.076 0.000 1.346 75 Q HN 0.900 nan 8.270 nan 0.000 0.457 76 G N 1.651 110.407 108.800 -0.074 0.000 2.556 76 G HA2 -0.340 3.620 3.960 0.000 0.000 0.220 76 G HA3 -0.340 3.620 3.960 0.000 0.000 0.220 76 G C 0.889 175.744 174.900 -0.076 0.000 1.156 76 G CA 1.414 46.474 45.100 -0.066 0.000 0.766 76 G HN 0.846 nan 8.290 nan 0.000 0.583 77 N N 0.801 119.456 118.700 -0.076 0.000 2.515 77 N HA 0.131 4.871 4.740 0.000 0.000 0.191 77 N C 1.552 177.000 175.510 -0.103 0.000 1.182 77 N CA 1.021 54.025 53.050 -0.077 0.000 0.879 77 N CB 0.056 38.505 38.487 -0.064 0.000 0.984 77 N HN 0.584 nan 8.380 nan 0.000 0.453 78 G N 0.406 109.122 108.800 -0.140 0.000 2.176 78 G HA2 -0.253 3.707 3.960 0.000 0.000 0.253 78 G HA3 -0.253 3.707 3.960 0.000 0.000 0.253 78 G C -0.223 174.525 174.900 -0.252 0.000 0.979 78 G CA -0.206 44.781 45.100 -0.187 0.000 0.641 78 G HN 0.429 nan 8.290 nan 0.000 0.530 79 N N -0.137 118.437 118.700 -0.210 0.000 2.515 79 N HA 0.555 5.295 4.740 0.000 0.000 0.279 79 N C -0.095 175.259 175.510 -0.259 0.000 1.164 79 N CA -0.259 52.672 53.050 -0.198 0.000 0.982 79 N CB 0.457 38.883 38.487 -0.102 0.000 1.170 79 N HN 0.229 nan 8.380 nan 0.000 0.474 80 Y N 0.296 120.528 120.300 -0.113 0.000 2.301 80 Y HA 0.237 4.787 4.550 0.000 0.000 0.328 80 Y C 1.009 176.941 175.900 0.054 0.000 1.242 80 Y CA 0.102 58.184 58.100 -0.030 0.000 1.323 80 Y CB 1.021 39.436 38.460 -0.074 0.000 1.266 80 Y HN 0.193 nan 8.280 nan 0.000 0.527 81 K N 3.353 123.941 120.400 0.314 0.000 2.507 81 K HA 0.253 4.573 4.320 0.000 0.000 0.252 81 K C -1.434 175.375 176.600 0.348 0.000 0.943 81 K CA -0.800 55.649 56.287 0.270 0.000 0.808 81 K CB 0.887 33.460 32.500 0.122 0.000 1.142 81 K HN 0.560 nan 8.250 nan 0.000 0.426 82 F N 3.844 123.943 119.950 0.248 0.000 2.607 82 F HA -0.030 4.497 4.527 0.000 0.000 0.374 82 F C 0.889 176.626 175.800 -0.106 0.000 1.104 82 F CA 0.684 58.682 58.000 -0.003 0.000 1.296 82 F CB 0.801 39.823 39.000 0.037 0.000 1.085 82 F HN 0.817 nan 8.300 nan 0.000 0.584 83 D N 2.343 122.147 120.400 -0.993 0.000 2.805 83 D HA 0.107 4.747 4.640 0.000 0.000 0.271 83 D C -0.615 175.001 176.300 -1.139 0.000 1.166 83 D CA 0.925 54.463 54.000 -0.770 0.000 1.004 83 D CB 0.216 40.757 40.800 -0.431 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.883 118.144 119.800 -1.288 0.000 2.578 84 Q HA 0.321 4.661 4.340 0.000 0.000 0.284 84 Q C -1.091 174.642 176.000 -0.445 0.000 0.960 84 Q CA -1.038 54.273 55.803 -0.820 0.000 0.809 84 Q CB 1.101 29.636 28.738 -0.338 0.000 1.462 84 Q HN -0.045 nan 8.270 nan 0.000 0.392 85 M N 1.811 121.400 119.600 -0.018 0.000 2.243 85 M HA 0.354 4.834 4.480 0.000 0.000 0.341 85 M C -0.515 175.654 176.300 -0.219 0.000 1.130 85 M CA -0.004 55.307 55.300 0.019 0.000 1.162 85 M CB -0.011 32.654 32.600 0.108 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.669 125.740 121.223 -0.254 0.000 2.272 86 L HA 0.555 4.895 4.340 0.000 0.000 0.289 86 L C -0.441 176.422 176.870 -0.012 0.000 1.032 86 L CA -0.374 54.186 54.840 -0.467 0.000 0.810 86 L CB 0.669 42.495 42.059 -0.388 0.000 1.205 86 L HN 0.563 nan 8.230 nan 0.000 0.422 87 L N 1.284 122.648 121.223 0.236 0.000 2.279 87 L HA 0.569 4.909 4.340 0.000 0.000 0.262 87 L C 0.507 177.581 176.870 0.341 0.000 1.019 87 L CA -0.797 54.209 54.840 0.277 0.000 0.823 87 L CB 1.951 44.145 42.059 0.225 0.000 1.358 87 L HN 0.387 nan 8.230 nan 0.000 0.432 88 T N 0.264 114.965 114.554 0.245 0.000 2.903 88 T HA 0.094 4.444 4.350 0.000 0.000 0.314 88 T C 1.137 175.928 174.700 0.152 0.000 1.078 88 T CA 0.515 62.743 62.100 0.213 0.000 1.114 88 T CB 1.411 70.402 68.868 0.205 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.639 125.526 122.820 0.111 0.000 1.908 89 A HA -0.069 4.252 4.320 0.000 0.000 0.218 89 A C 1.028 178.648 177.584 0.061 0.000 1.181 89 A CA 1.448 53.517 52.037 0.055 0.000 0.627 89 A CB -0.367 18.657 19.000 0.041 0.000 0.818 89 A HN 0.850 nan 8.150 nan 0.000 0.445 90 Q N -1.496 118.351 119.800 0.079 0.000 2.433 90 Q HA 0.492 4.832 4.340 0.000 0.000 0.279 90 Q C -1.214 174.831 176.000 0.075 0.000 1.105 90 Q CA -0.981 54.864 55.803 0.070 0.000 0.815 90 Q CB 0.786 29.565 28.738 0.067 0.000 1.403 90 Q HN 0.140 nan 8.270 nan 0.000 0.435 91 N N 1.647 120.385 118.700 0.064 0.000 2.415 91 N HA 0.125 4.865 4.740 0.000 0.000 0.250 91 N C 0.501 176.047 175.510 0.060 0.000 1.127 91 N CA -0.001 53.085 53.050 0.059 0.000 0.945 91 N CB 0.315 38.831 38.487 0.048 0.000 1.196 91 N HN 0.766 nan 8.380 nan 0.000 0.499 92 L N 4.527 125.781 121.223 0.051 0.000 2.043 92 L HA -0.131 4.209 4.340 0.000 0.000 0.212 92 L C -0.659 176.278 176.870 0.111 0.000 1.075 92 L CA 1.292 56.182 54.840 0.084 0.000 0.752 92 L CB -1.093 40.907 42.059 -0.099 0.000 0.891 92 L HN 0.522 nan 8.230 nan 0.000 0.432 93 P HA -0.135 nan 4.420 nan 0.000 0.228 93 P C 1.080 178.382 177.300 0.004 0.000 1.151 93 P CA 1.297 64.411 63.100 0.023 0.000 0.770 93 P CB -0.024 31.682 31.700 0.011 0.000 0.786 94 A N -1.322 121.501 122.820 0.006 0.000 2.119 94 A HA 0.011 4.331 4.320 0.000 0.000 0.216 94 A C 2.011 179.551 177.584 -0.074 0.000 1.152 94 A CA 1.514 53.537 52.037 -0.023 0.000 0.708 94 A CB -0.536 18.458 19.000 -0.010 0.000 0.805 94 A HN 0.139 nan 8.150 nan 0.000 0.460 95 S N -2.754 112.878 115.700 -0.114 0.000 2.631 95 S HA 0.340 4.810 4.470 0.000 0.000 0.246 95 S C -0.420 173.833 174.600 -0.578 0.000 1.068 95 S CA -0.239 57.745 58.200 -0.361 0.000 0.995 95 S CB 0.147 63.059 63.200 -0.480 0.000 0.944 95 S HN 0.496 nan 8.310 nan 0.000 0.529 96 Y N 1.021 121.307 120.300 -0.022 0.000 2.536 96 Y HA 0.520 5.070 4.550 0.000 0.000 0.347 96 Y C 0.711 176.584 175.900 -0.045 0.000 1.000 96 Y CA -1.073 57.021 58.100 -0.010 0.000 1.051 96 Y CB 1.055 39.513 38.460 -0.004 0.000 1.259 96 Y HN -0.148 nan 8.280 nan 0.000 0.468 97 N N -0.032 118.740 118.700 0.120 0.000 2.407 97 N HA 0.085 4.825 4.740 0.000 0.000 0.182 97 N C -1.166 174.146 175.510 -0.329 0.000 1.079 97 N CA 0.521 53.501 53.050 -0.117 0.000 0.882 97 N CB 0.445 38.863 38.487 -0.115 0.000 1.106 97 N HN 0.527 nan 8.380 nan 0.000 0.461 98 Y N -1.021 119.355 120.300 0.127 0.000 2.545 98 Y HA 0.549 5.099 4.550 0.000 0.000 0.348 98 Y C -0.152 175.876 175.900 0.213 0.000 1.002 98 Y CA -1.168 57.027 58.100 0.158 0.000 1.039 98 Y CB 2.190 40.752 38.460 0.170 0.000 1.271 98 Y HN -0.109 nan 8.280 nan 0.000 0.467 99 C N 2.461 121.972 119.300 0.352 0.000 3.284 99 C HA 0.848 5.308 4.460 0.000 0.000 0.338 99 C C -1.798 173.174 174.990 -0.030 0.000 1.237 99 C CA -0.718 58.384 59.018 0.142 0.000 1.276 99 C CB 1.810 29.544 27.740 -0.010 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.692 123.155 120.500 -0.062 0.000 2.548 100 R HA 0.659 4.999 4.340 0.000 0.000 0.280 100 R C -1.744 174.608 176.300 0.087 0.000 1.061 100 R CA -0.649 55.374 56.100 -0.128 0.000 0.915 100 R CB 1.682 31.650 30.300 -0.554 0.000 1.210 100 R HN 0.819 nan 8.270 nan 0.000 0.442 101 L N 4.713 126.006 121.223 0.118 0.000 2.319 101 L HA 0.226 4.566 4.340 0.000 0.000 0.280 101 L C 0.154 177.043 176.870 0.032 0.000 1.099 101 L CA 0.386 55.249 54.840 0.037 0.000 0.828 101 L CB 1.603 43.696 42.059 0.057 0.000 1.150 101 L HN 0.634 nan 8.230 nan 0.000 0.442 102 V N 2.556 122.448 119.914 -0.037 0.000 2.436 102 V HA 0.253 4.373 4.120 0.000 0.000 0.240 102 V C 0.580 176.733 176.094 0.099 0.000 1.040 102 V CA 1.141 63.506 62.300 0.108 0.000 1.052 102 V CB 0.034 31.915 31.823 0.096 0.000 0.707 102 V HN 0.939 nan 8.190 nan 0.000 0.469 103 S N -0.312 115.353 115.700 -0.059 0.000 2.578 103 S HA 0.728 5.198 4.470 0.000 0.000 0.272 103 S C -0.934 173.586 174.600 -0.134 0.000 1.145 103 S CA -0.912 57.244 58.200 -0.074 0.000 0.835 103 S CB 2.685 65.825 63.200 -0.099 0.000 1.104 103 S HN 0.488 nan 8.310 nan 0.000 0.458 104 R N 0.391 120.830 120.500 -0.101 0.000 2.579 104 R HA 0.668 5.008 4.340 0.000 0.000 0.260 104 R C -1.723 174.507 176.300 -0.116 0.000 1.103 104 R CA -0.009 56.023 56.100 -0.113 0.000 0.942 104 R CB 1.697 31.936 30.300 -0.100 0.000 1.251 104 R HN 1.308 nan 8.270 nan 0.000 0.450 105 S N 3.963 119.584 115.700 -0.133 0.000 2.549 105 S HA 0.763 5.233 4.470 0.000 0.000 0.280 105 S C -1.226 173.249 174.600 -0.208 0.000 1.109 105 S CA -0.817 57.268 58.200 -0.193 0.000 0.905 105 S CB 1.739 64.811 63.200 -0.213 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 2.008 123.059 121.223 -0.288 0.000 2.431 106 L HA 0.700 5.040 4.340 0.000 0.000 0.266 106 L C -0.186 176.550 176.870 -0.223 0.000 0.978 106 L CA -0.582 54.087 54.840 -0.285 0.000 0.822 106 L CB 2.821 44.536 42.059 -0.572 0.000 1.310 106 L HN 0.990 nan 8.230 nan 0.000 0.409 107 T N -0.500 113.987 114.554 -0.113 0.000 2.859 107 T HA 0.798 5.148 4.350 0.000 0.000 0.281 107 T C -0.579 174.131 174.700 0.017 0.000 1.005 107 T CA -0.802 61.265 62.100 -0.055 0.000 1.025 107 T CB 1.834 70.681 68.868 -0.033 0.000 0.977 107 T HN 0.205 nan 8.240 nan 0.000 0.458 108 V N 4.130 124.072 119.914 0.048 0.000 2.443 108 V HA 0.750 4.870 4.120 0.000 0.000 0.293 108 V C -0.079 176.041 176.094 0.044 0.000 1.021 108 V CA -0.889 61.459 62.300 0.078 0.000 0.848 108 V CB 1.094 33.011 31.823 0.156 0.000 0.998 108 V HN 1.155 nan 8.190 nan 0.000 0.424 109 R N 2.326 122.833 120.500 0.011 0.000 2.710 109 R HA 0.707 5.047 4.340 0.000 0.000 0.270 109 R C -0.790 175.488 176.300 -0.036 0.000 1.021 109 R CA -0.641 55.458 56.100 -0.001 0.000 0.889 109 R CB 1.854 32.162 30.300 0.014 0.000 1.243 109 R HN 0.585 nan 8.270 nan 0.000 0.464 110 S N 0.135 115.812 115.700 -0.038 0.000 2.584 110 S HA 0.250 4.720 4.470 0.000 0.000 0.273 110 S C 0.505 175.088 174.600 -0.028 0.000 1.311 110 S CA -0.082 58.086 58.200 -0.053 0.000 1.034 110 S CB 1.487 64.657 63.200 -0.049 0.000 0.939 110 S HN 0.788 nan 8.310 nan 0.000 0.513 111 S N 0.943 116.624 115.700 -0.031 0.000 2.589 111 S HA 0.296 4.766 4.470 0.000 0.000 0.235 111 S C 0.369 174.960 174.600 -0.015 0.000 1.051 111 S CA -0.280 57.909 58.200 -0.018 0.000 0.978 111 S CB 0.060 63.249 63.200 -0.018 0.000 0.929 111 S HN 0.713 nan 8.310 nan 0.000 0.523 112 T N 2.013 116.555 114.554 -0.020 0.000 2.883 112 T HA 0.723 5.073 4.350 0.000 0.000 0.296 112 T C -1.361 173.332 174.700 -0.012 0.000 1.117 112 T CA -0.687 61.405 62.100 -0.014 0.000 1.006 112 T CB 1.789 70.648 68.868 -0.014 0.000 1.191 112 T HN 0.183 nan 8.240 nan 0.000 0.508 113 L N 2.031 123.251 121.223 -0.006 0.000 2.381 113 L HA 0.557 4.897 4.340 0.000 0.000 0.268 113 L C -1.936 174.934 176.870 -0.001 0.000 0.997 113 L CA -2.178 52.660 54.840 -0.003 0.000 0.818 113 L CB 1.109 43.167 42.059 -0.000 0.000 1.310 113 L HN 0.463 nan 8.230 nan 0.000 0.416 121 N N 1.338 120.049 118.700 0.018 0.000 2.990 121 N HA 0.536 5.276 4.740 0.000 0.000 0.288 121 N C 0.399 175.928 175.510 0.031 0.000 1.624 121 N CA 0.954 54.014 53.050 0.018 0.000 0.961 121 N CB 0.754 39.245 38.487 0.007 0.000 1.259 121 N HN 0.583 nan 8.380 nan 0.000 0.489 122 G N 0.216 109.035 108.800 0.032 0.000 2.697 122 G HA2 -0.238 3.722 3.960 0.000 0.000 0.240 122 G HA3 -0.238 3.722 3.960 0.000 0.000 0.240 122 G C -0.239 174.702 174.900 0.069 0.000 1.346 122 G CA -0.032 45.092 45.100 0.040 0.000 0.887 122 G HN 0.631 nan 8.290 nan 0.000 0.569 123 T N -2.626 111.985 114.554 0.093 0.000 2.887 123 T HA 0.766 5.116 4.350 0.000 0.000 0.292 123 T C -0.319 174.571 174.700 0.315 0.000 1.087 123 T CA -0.607 61.596 62.100 0.171 0.000 1.009 123 T CB 2.146 71.122 68.868 0.180 0.000 1.203 123 T HN 1.111 nan 8.240 nan 0.000 0.518 124 I N 1.776 122.542 120.570 0.328 0.000 2.498 124 I HA 0.456 4.626 4.170 0.000 0.000 0.290 124 I C -0.946 175.274 176.117 0.172 0.000 1.032 124 I CA -1.015 60.485 61.300 0.334 0.000 1.073 124 I CB 2.161 40.290 38.000 0.216 0.000 1.251 124 I HN 0.578 nan 8.210 nan 0.000 0.426 125 N N 4.229 122.889 118.700 -0.066 0.000 2.361 125 N HA 0.820 5.560 4.740 0.000 0.000 0.302 125 N C -1.105 174.321 175.510 -0.140 0.000 1.074 125 N CA -0.472 52.402 53.050 -0.293 0.000 0.850 125 N CB 2.324 40.316 38.487 -0.824 0.000 1.228 125 N HN 0.705 nan 8.380 nan 0.000 0.491 126 A N 0.677 123.444 122.820 -0.087 0.000 2.515 126 A HA 0.792 5.112 4.320 0.000 0.000 0.298 126 A C -1.177 176.381 177.584 -0.042 0.000 1.059 126 A CA -0.591 51.427 52.037 -0.032 0.000 0.698 126 A CB 1.007 20.023 19.000 0.027 0.000 1.289 126 A HN 0.381 nan 8.150 nan 0.000 0.404 127 V N -1.037 118.864 119.914 -0.020 0.000 3.049 127 V HA 0.797 4.917 4.120 0.000 0.000 0.309 127 V C -0.296 175.818 176.094 0.032 0.000 1.148 127 V CA -0.724 61.572 62.300 -0.006 0.000 0.990 127 V CB 1.606 33.431 31.823 0.003 0.000 1.039 127 V HN 0.807 nan 8.190 nan 0.000 0.430 128 T N 3.862 118.436 114.554 0.034 0.000 2.758 128 T HA 0.603 4.953 4.350 0.000 0.000 0.285 128 T C -0.919 173.851 174.700 0.116 0.000 0.981 128 T CA 0.090 62.227 62.100 0.061 0.000 0.965 128 T CB 0.735 69.609 68.868 0.011 0.000 0.927 128 T HN 0.656 nan 8.240 nan 0.000 0.448 129 F N 2.748 122.687 119.950 -0.018 0.000 2.436 129 F HA 0.344 4.871 4.527 0.000 0.000 0.340 129 F C 0.806 176.608 175.800 0.002 0.000 1.113 129 F CA -0.968 57.025 58.000 -0.012 0.000 1.022 129 F CB 1.460 40.454 39.000 -0.011 0.000 1.128 129 F HN 0.461 nan 8.300 nan 0.000 0.466 130 Q N 4.610 124.023 119.800 -0.645 0.000 2.404 130 Q HA 0.321 4.661 4.340 0.000 0.000 0.272 130 Q C 0.018 175.592 176.000 -0.710 0.000 0.939 130 Q CA -0.142 55.350 55.803 -0.517 0.000 0.945 130 Q CB 0.019 28.553 28.738 -0.340 0.000 1.195 130 Q HN 0.888 nan 8.270 nan 0.000 0.415 131 G N -0.642 107.623 108.800 -0.891 0.000 2.645 131 G HA2 0.374 4.334 3.960 0.000 0.000 0.292 131 G HA3 0.374 4.334 3.960 0.000 0.000 0.292 131 G C -0.895 174.086 174.900 0.136 0.000 1.415 131 G CA -0.658 44.187 45.100 -0.424 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.591 115.270 115.700 0.268 0.000 2.645 132 S HA 0.365 4.835 4.470 0.000 0.000 0.266 132 S C 1.441 176.257 174.600 0.361 0.000 1.258 132 S CA -0.425 57.960 58.200 0.309 0.000 0.990 132 S CB 1.476 64.819 63.200 0.238 0.000 0.967 132 S HN 0.904 nan 8.310 nan 0.000 0.556 133 L N 1.726 123.113 121.223 0.274 0.000 2.013 133 L HA -0.144 4.196 4.340 0.000 0.000 0.212 133 L C 2.543 179.479 176.870 0.111 0.000 1.073 133 L CA 2.689 57.612 54.840 0.138 0.000 0.753 133 L CB -1.490 40.625 42.059 0.094 0.000 0.890 133 L HN 0.989 nan 8.230 nan 0.000 0.432 134 S N -1.931 113.861 115.700 0.154 0.000 2.507 134 S HA -0.114 4.356 4.470 0.000 0.000 0.235 134 S C 1.605 176.268 174.600 0.105 0.000 0.988 134 S CA 0.940 59.215 58.200 0.126 0.000 0.944 134 S CB -0.602 62.657 63.200 0.099 0.000 0.762 134 S HN 0.676 nan 8.310 nan 0.000 0.526 135 E N 0.433 120.732 120.200 0.165 0.000 2.371 135 E HA 0.212 4.562 4.350 0.000 0.000 0.194 135 E C -0.151 176.482 176.600 0.055 0.000 1.012 135 E CA -0.146 56.380 56.400 0.210 0.000 0.860 135 E CB -0.087 29.851 29.700 0.398 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.955 123.022 121.223 -0.259 0.000 2.513 136 L HA -0.045 4.295 4.340 0.000 0.000 0.272 136 L C 1.775 178.519 176.870 -0.209 0.000 1.187 136 L CA 0.144 54.658 54.840 -0.543 0.000 0.895 136 L CB 0.726 42.429 42.059 -0.592 0.000 1.147 136 L HN 0.168 nan 8.230 nan 0.000 0.483 137 T N -1.938 112.516 114.554 -0.166 0.000 3.014 137 T HA -0.016 4.334 4.350 0.000 0.000 0.263 137 T C 0.424 175.082 174.700 -0.070 0.000 1.078 137 T CA 0.300 62.356 62.100 -0.073 0.000 1.135 137 T CB 0.129 68.976 68.868 -0.035 0.000 0.895 137 T HN 0.512 nan 8.240 nan 0.000 0.480 138 D N 0.807 121.149 120.400 -0.096 0.000 2.736 138 D HA 0.312 4.952 4.640 0.000 0.000 0.243 138 D C 0.233 176.494 176.300 -0.064 0.000 1.304 138 D CA -0.694 53.271 54.000 -0.059 0.000 0.934 138 D CB 2.244 43.019 40.800 -0.042 0.000 1.382 138 D HN 0.098 nan 8.370 nan 0.000 0.571 139 V N 1.425 121.335 119.914 -0.006 0.000 3.276 139 V HA 0.305 4.425 4.120 0.000 0.000 0.319 139 V C 0.747 176.914 176.094 0.123 0.000 1.427 139 V CA -0.046 62.270 62.300 0.025 0.000 1.102 139 V CB -0.482 31.389 31.823 0.081 0.000 1.020 139 V HN 0.450 nan 8.190 nan 0.000 0.456 140 S N -0.725 115.039 115.700 0.107 0.000 2.585 140 S HA 0.265 4.735 4.470 0.000 0.000 0.273 140 S C 0.863 175.540 174.600 0.128 0.000 1.339 140 S CA 0.226 58.510 58.200 0.141 0.000 1.028 140 S CB 0.675 63.924 63.200 0.082 0.000 0.906 140 S HN 0.472 nan 8.310 nan 0.000 0.528 141 Y N 2.810 123.136 120.300 0.043 0.000 2.062 141 Y HA -0.329 4.221 4.550 0.000 0.000 0.276 141 Y C 2.105 178.014 175.900 0.014 0.000 1.189 141 Y CA 2.747 60.860 58.100 0.023 0.000 1.130 141 Y CB -0.552 37.912 38.460 0.006 0.000 0.959 141 Y HN 0.727 nan 8.280 nan 0.000 0.499 142 N N -0.216 118.571 118.700 0.145 0.000 2.171 142 N HA -0.088 4.652 4.740 0.000 0.000 0.184 142 N C 2.028 177.524 175.510 -0.024 0.000 1.021 142 N CA 1.323 54.402 53.050 0.049 0.000 0.854 142 N CB -1.018 37.533 38.487 0.107 0.000 0.994 142 N HN 0.551 nan 8.380 nan 0.000 0.426 143 G N 1.668 110.464 108.800 -0.006 0.000 2.443 143 G HA2 -0.131 3.829 3.960 0.000 0.000 0.219 143 G HA3 -0.131 3.829 3.960 0.000 0.000 0.219 143 G C 1.668 176.536 174.900 -0.053 0.000 1.131 143 G CA 0.153 45.239 45.100 -0.023 0.000 0.775 143 G HN 0.199 nan 8.290 nan 0.000 0.547 144 L N 0.140 121.317 121.223 -0.077 0.000 2.064 144 L HA -0.194 4.146 4.340 0.000 0.000 0.216 144 L C 2.939 179.760 176.870 -0.082 0.000 1.077 144 L CA 1.177 55.958 54.840 -0.099 0.000 0.766 144 L CB -0.441 41.535 42.059 -0.138 0.000 0.890 144 L HN 0.212 nan 8.230 nan 0.000 0.435 145 M N -0.576 118.970 119.600 -0.090 0.000 2.530 145 M HA -0.118 4.362 4.480 0.000 0.000 0.261 145 M C 1.730 178.006 176.300 -0.039 0.000 1.067 145 M CA 1.292 56.550 55.300 -0.071 0.000 1.071 145 M CB -0.985 31.571 32.600 -0.074 0.000 1.405 145 M HN 0.299 nan 8.290 nan 0.000 0.478 146 S N -1.159 114.524 115.700 -0.029 0.000 2.593 146 S HA 0.416 4.886 4.470 0.000 0.000 0.236 146 S C 1.647 176.256 174.600 0.016 0.000 0.991 146 S CA 0.182 58.377 58.200 -0.008 0.000 0.963 146 S CB 0.028 63.224 63.200 -0.008 0.000 0.865 146 S HN 0.397 nan 8.310 nan 0.000 0.488 147 A N 1.921 124.754 122.820 0.021 0.000 2.015 147 A HA 0.173 4.493 4.320 0.000 0.000 0.219 147 A C 1.213 178.916 177.584 0.197 0.000 1.163 147 A CA 0.985 53.081 52.037 0.098 0.000 0.646 147 A CB -0.419 18.609 19.000 0.047 0.000 0.806 147 A HN 0.506 nan 8.150 nan 0.000 0.448 148 T N -3.596 111.018 114.554 0.099 0.000 2.916 148 T HA 0.627 4.977 4.350 0.000 0.000 0.292 148 T C 0.688 175.398 174.700 0.016 0.000 1.055 148 T CA -0.138 61.996 62.100 0.057 0.000 1.009 148 T CB 1.881 70.763 68.868 0.023 0.000 1.118 148 T HN 0.295 nan 8.240 nan 0.000 0.497 149 A N 0.803 123.623 122.820 -0.000 0.000 2.132 149 A HA 0.202 4.522 4.320 0.000 0.000 0.213 149 A C 0.736 178.302 177.584 -0.031 0.000 1.154 149 A CA -0.036 51.993 52.037 -0.014 0.000 0.753 149 A CB -0.735 18.256 19.000 -0.014 0.000 0.826 149 A HN 0.851 nan 8.150 nan 0.000 0.469 150 N N 0.477 119.154 118.700 -0.038 0.000 2.427 150 N HA 0.153 4.893 4.740 0.000 0.000 0.269 150 N C 0.660 176.127 175.510 -0.073 0.000 1.235 150 N CA -0.389 52.626 53.050 -0.058 0.000 0.934 150 N CB 0.853 39.300 38.487 -0.067 0.000 1.121 150 N HN 0.262 nan 8.380 nan 0.000 0.480 151 I N 2.828 123.351 120.570 -0.079 0.000 2.454 151 I HA -0.206 3.964 4.170 0.000 0.000 0.254 151 I C 1.048 177.083 176.117 -0.136 0.000 1.156 151 I CA 1.367 62.611 61.300 -0.093 0.000 1.433 151 I CB -0.084 37.866 38.000 -0.084 0.000 1.082 151 I HN 0.543 nan 8.210 nan 0.000 0.432 152 N N 0.442 119.045 118.700 -0.161 0.000 2.314 152 N HA 0.016 4.756 4.740 0.000 0.000 0.200 152 N C 0.207 175.577 175.510 -0.234 0.000 1.135 152 N CA 0.368 53.273 53.050 -0.241 0.000 0.835 152 N CB 0.063 38.394 38.487 -0.259 0.000 0.989 152 N HN 0.409 nan 8.380 nan 0.000 0.478 153 D N 0.271 120.577 120.400 -0.157 0.000 2.513 153 D HA 0.074 4.714 4.640 0.000 0.000 0.222 153 D C 0.098 176.344 176.300 -0.090 0.000 1.210 153 D CA 0.217 54.146 54.000 -0.119 0.000 0.825 153 D CB 0.925 41.678 40.800 -0.079 0.000 1.037 153 D HN 0.391 nan 8.370 nan 0.000 0.506 154 K N -0.001 120.334 120.400 -0.107 0.000 2.502 154 K HA 0.664 4.984 4.320 0.000 0.000 0.257 154 K C -1.385 175.156 176.600 -0.099 0.000 0.938 154 K CA -0.888 55.348 56.287 -0.085 0.000 0.819 154 K CB 2.704 35.164 32.500 -0.067 0.000 1.333 154 K HN -0.186 nan 8.250 nan 0.000 0.434 155 I N 0.682 121.205 120.570 -0.078 0.000 2.656 155 I HA 0.525 4.695 4.170 0.000 0.000 0.292 155 I C -1.182 174.905 176.117 -0.049 0.000 1.144 155 I CA -0.113 61.151 61.300 -0.061 0.000 1.038 155 I CB 2.459 40.432 38.000 -0.046 0.000 1.244 155 I HN 0.875 nan 8.210 nan 0.000 0.420 156 G N 4.193 112.973 108.800 -0.033 0.000 2.470 156 G HA2 0.416 4.376 3.960 0.000 0.000 0.320 156 G HA3 0.416 4.376 3.960 0.000 0.000 0.320 156 G C -0.508 174.407 174.900 0.026 0.000 1.245 156 G CA -0.458 44.625 45.100 -0.028 0.000 0.935 156 G HN 0.675 nan 8.290 nan 0.000 0.476 157 N N -0.198 118.544 118.700 0.070 0.000 2.738 157 N HA -0.168 4.572 4.740 0.000 0.000 0.249 157 N C 0.327 175.904 175.510 0.110 0.000 1.047 157 N CA 0.668 53.802 53.050 0.140 0.000 0.707 157 N CB -1.062 37.502 38.487 0.128 0.000 0.937 157 N HN 0.415 nan 8.380 nan 0.000 0.545 158 V N 1.128 121.106 119.914 0.107 0.000 2.614 158 V HA 0.107 4.227 4.120 0.000 0.000 0.291 158 V C 1.460 177.619 176.094 0.108 0.000 1.049 158 V CA -0.512 61.846 62.300 0.097 0.000 1.038 158 V CB 1.004 32.884 31.823 0.095 0.000 0.980 158 V HN 0.172 nan 8.190 nan 0.000 0.481 159 L N 4.716 125.991 121.223 0.087 0.000 2.490 159 L HA 0.060 4.400 4.340 0.000 0.000 0.274 159 L C 1.446 178.362 176.870 0.077 0.000 1.201 159 L CA -0.035 54.851 54.840 0.077 0.000 0.869 159 L CB 0.604 42.699 42.059 0.059 0.000 1.123 159 L HN 0.499 nan 8.230 nan 0.000 0.484 160 V N 3.366 123.324 119.914 0.074 0.000 2.515 160 V HA -0.185 3.935 4.120 0.000 0.000 0.250 160 V C 2.266 178.381 176.094 0.035 0.000 1.058 160 V CA 2.124 64.459 62.300 0.059 0.000 1.064 160 V CB -0.695 31.155 31.823 0.047 0.000 0.675 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.636 108.184 108.800 0.033 0.000 2.422 161 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 161 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 161 G C 1.553 176.472 174.900 0.031 0.000 1.146 161 G CA 0.987 46.102 45.100 0.025 0.000 0.769 161 G HN 0.575 nan 8.290 nan 0.000 0.547 162 E N 0.112 120.338 120.200 0.043 0.000 2.051 162 E HA 0.271 4.621 4.350 0.000 0.000 0.189 162 E C 1.345 177.979 176.600 0.057 0.000 0.979 162 E CA 0.787 57.218 56.400 0.051 0.000 0.803 162 E CB -0.116 29.619 29.700 0.060 0.000 0.761 162 E HN 0.477 nan 8.360 nan 0.000 0.451 163 G N -0.073 108.764 108.800 0.063 0.000 2.710 163 G HA2 -0.191 3.769 3.960 0.000 0.000 0.668 163 G HA3 -0.191 3.769 3.960 0.000 0.000 0.668 163 G C -0.936 174.013 174.900 0.081 0.000 1.320 163 G CA -0.311 44.828 45.100 0.065 0.000 0.860 163 G HN 0.282 nan 8.290 nan 0.000 0.538 164 V N 0.220 120.182 119.914 0.080 0.000 2.769 164 V HA 0.825 4.945 4.120 0.000 0.000 0.312 164 V C 0.357 176.478 176.094 0.045 0.000 1.061 164 V CA -0.101 62.252 62.300 0.089 0.000 0.931 164 V CB 2.354 34.239 31.823 0.104 0.000 1.010 164 V HN 1.161 nan 8.190 nan 0.000 0.433 165 T N 3.595 118.172 114.554 0.038 0.000 2.792 165 T HA 0.515 4.866 4.350 0.000 0.000 0.280 165 T C -0.574 174.091 174.700 -0.057 0.000 0.990 165 T CA -0.309 61.720 62.100 -0.118 0.000 0.960 165 T CB 1.443 70.069 68.868 -0.402 0.000 0.939 165 T HN 0.338 nan 8.240 nan 0.000 0.439 166 V N 4.773 124.594 119.914 -0.154 0.000 2.383 166 V HA 0.468 4.588 4.120 0.000 0.000 0.275 166 V C -0.333 175.655 176.094 -0.177 0.000 1.036 166 V CA -0.742 61.476 62.300 -0.137 0.000 0.889 166 V CB 1.185 32.843 31.823 -0.275 0.000 0.985 166 V HN 0.648 nan 8.190 nan 0.000 0.459 167 L N 4.951 126.144 121.223 -0.050 0.000 2.333 167 L HA 0.586 4.926 4.340 0.000 0.000 0.280 167 L C 0.253 177.113 176.870 -0.017 0.000 1.004 167 L CA 0.255 55.068 54.840 -0.046 0.000 0.820 167 L CB 2.025 44.143 42.059 0.098 0.000 1.247 167 L HN 0.630 nan 8.230 nan 0.000 0.416 168 S N 5.988 121.664 115.700 -0.040 0.000 2.422 168 S HA 0.527 4.997 4.470 0.000 0.000 0.283 168 S C -0.381 174.218 174.600 -0.002 0.000 1.163 168 S CA -0.529 57.660 58.200 -0.019 0.000 1.054 168 S CB -0.325 62.863 63.200 -0.020 0.000 0.967 168 S HN 0.604 nan 8.310 nan 0.000 0.499 169 L N 6.436 127.656 121.223 -0.005 0.000 2.334 169 L HA 0.570 4.910 4.340 0.000 0.000 0.275 169 L C -1.750 175.092 176.870 -0.047 0.000 1.036 169 L CA -2.356 52.477 54.840 -0.011 0.000 0.807 169 L CB 1.422 43.470 42.059 -0.019 0.000 1.231 169 L HN 0.522 nan 8.230 nan 0.000 0.438 170 P HA 0.092 nan 4.420 nan 0.000 0.271 170 P C -0.591 176.562 177.300 -0.246 0.000 1.218 170 P CA -0.221 62.735 63.100 -0.240 0.000 0.780 170 P CB 0.713 32.070 31.700 -0.572 0.000 0.901 171 T N -1.973 112.429 114.554 -0.253 0.000 3.331 171 T HA 0.489 4.839 4.350 0.000 0.000 0.381 171 T C -0.238 174.296 174.700 -0.277 0.000 1.656 171 T CA -0.682 61.287 62.100 -0.218 0.000 1.453 171 T CB -0.803 67.976 68.868 -0.148 0.000 1.066 171 T HN 0.624 nan 8.240 nan 0.000 0.655 172 S N 1.345 116.840 115.700 -0.341 0.000 2.912 172 S HA -0.106 4.365 4.470 0.000 0.000 0.857 172 S C -0.772 173.578 174.600 -0.417 0.000 0.919 172 S CA -0.671 57.344 58.200 -0.308 0.000 1.424 172 S CB -1.040 62.030 63.200 -0.218 0.000 1.019 172 S HN 0.720 nan 8.310 nan 0.000 0.231 173 Y N 2.089 122.356 120.300 -0.055 0.000 2.719 173 Y HA 0.466 5.016 4.550 0.000 0.000 0.335 173 Y C 1.321 177.183 175.900 -0.063 0.000 1.198 173 Y CA -0.258 57.806 58.100 -0.059 0.000 1.274 173 Y CB 0.442 38.868 38.460 -0.056 0.000 1.500 173 Y HN 0.774 nan 8.280 nan 0.000 0.616 174 D N 0.743 121.236 120.400 0.155 0.000 2.751 174 D HA -0.185 4.455 4.640 0.000 0.000 0.233 174 D C -1.070 175.258 176.300 0.045 0.000 1.149 174 D CA 0.751 54.793 54.000 0.070 0.000 0.682 174 D CB -1.111 39.720 40.800 0.051 0.000 1.068 174 D HN 0.268 nan 8.370 nan 0.000 0.429 175 L N -0.120 121.126 121.223 0.039 0.000 2.395 175 L HA 0.412 4.752 4.340 0.000 0.000 0.269 175 L C 1.833 178.784 176.870 0.135 0.000 1.133 175 L CA -0.150 54.703 54.840 0.022 0.000 0.812 175 L CB 0.842 42.857 42.059 -0.074 0.000 1.125 175 L HN 0.035 nan 8.230 nan 0.000 0.452 176 G N 0.504 109.453 108.800 0.248 0.000 2.606 176 G HA2 0.164 4.124 3.960 0.000 0.000 0.252 176 G HA3 0.164 4.124 3.960 0.000 0.000 0.252 176 G C -0.875 174.183 174.900 0.263 0.000 1.206 176 G CA -0.332 44.930 45.100 0.270 0.000 0.861 176 G HN 0.343 nan 8.290 nan 0.000 0.561 177 Y N -0.451 119.916 120.300 0.112 0.000 2.511 177 Y HA 0.230 4.780 4.550 0.000 0.000 0.332 177 Y C 0.896 176.854 175.900 0.097 0.000 1.177 177 Y CA 0.193 58.358 58.100 0.107 0.000 1.422 177 Y CB 1.035 39.540 38.460 0.075 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.407 125.356 119.914 0.058 0.000 2.439 178 V HA 0.303 4.423 4.120 0.000 0.000 0.282 178 V C 0.168 176.257 176.094 -0.007 0.000 1.039 178 V CA -1.181 61.025 62.300 -0.157 0.000 0.913 178 V CB 1.331 32.830 31.823 -0.541 0.000 0.983 178 V HN 0.635 nan 8.190 nan 0.000 0.460 179 R N 3.879 124.330 120.500 -0.082 0.000 2.401 179 R HA 0.349 4.689 4.340 0.000 0.000 0.299 179 R C -0.399 175.764 176.300 -0.228 0.000 1.064 179 R CA -0.315 55.586 56.100 -0.332 0.000 1.000 179 R CB 0.272 30.344 30.300 -0.380 0.000 0.973 179 R HN 0.621 nan 8.270 nan 0.000 0.438 180 L N 2.161 123.255 121.223 -0.215 0.000 2.475 180 L HA 0.225 4.565 4.340 0.000 0.000 0.250 180 L C 1.508 178.322 176.870 -0.095 0.000 1.224 180 L CA -0.063 54.709 54.840 -0.113 0.000 0.821 180 L CB 0.512 42.531 42.059 -0.067 0.000 1.141 180 L HN 0.801 nan 8.230 nan 0.000 0.494 181 G N 0.189 108.969 108.800 -0.033 0.000 3.455 181 G HA2 0.041 4.001 3.960 0.000 0.000 0.250 181 G HA3 0.041 4.001 3.960 0.000 0.000 0.250 181 G C -0.053 174.826 174.900 -0.035 0.000 1.071 181 G CA -0.404 44.680 45.100 -0.026 0.000 1.812 181 G HN 0.711 nan 8.290 nan 0.000 0.643 182 D N 1.137 121.498 120.400 -0.066 0.000 2.382 182 D HA 0.131 4.771 4.640 0.000 0.000 0.245 182 D C -2.465 173.807 176.300 -0.047 0.000 1.120 182 D CA -1.534 52.432 54.000 -0.057 0.000 0.890 182 D CB 1.885 42.637 40.800 -0.080 0.000 1.201 182 D HN 0.072 nan 8.370 nan 0.000 0.433 183 P HA 0.153 nan 4.420 nan 0.000 0.268 183 P C -0.448 176.833 177.300 -0.032 0.000 1.205 183 P CA -0.413 62.671 63.100 -0.028 0.000 0.771 183 P CB 0.841 32.529 31.700 -0.021 0.000 0.858 184 I N 5.024 125.577 120.570 -0.027 0.000 2.562 184 I HA 0.404 4.574 4.170 0.000 0.000 0.301 184 I C -2.230 173.876 176.117 -0.019 0.000 1.003 184 I CA -3.097 58.188 61.300 -0.026 0.000 1.127 184 I CB 1.244 39.228 38.000 -0.027 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.431 nan 4.420 nan 0.000 0.267 185 P C -1.549 175.744 177.300 -0.011 0.000 1.209 185 P CA -0.147 62.945 63.100 -0.013 0.000 0.763 185 P CB 0.469 32.162 31.700 -0.011 0.000 0.816 186 A N 3.507 126.321 122.820 -0.010 0.000 2.566 186 A HA 0.691 5.011 4.320 0.000 0.000 0.297 186 A C -0.785 176.795 177.584 -0.007 0.000 1.059 186 A CA -0.696 51.336 52.037 -0.008 0.000 0.691 186 A CB 0.983 19.977 19.000 -0.009 0.000 1.282 186 A HN 0.569 nan 8.150 nan 0.000 0.401 187 I N -0.473 120.094 120.570 -0.006 0.000 2.603 187 I HA 1.004 5.174 4.170 0.000 0.000 0.300 187 I C 0.115 176.229 176.117 -0.004 0.000 1.017 187 I CA -0.852 60.446 61.300 -0.005 0.000 1.098 187 I CB 2.420 40.418 38.000 -0.004 0.000 1.279 187 I HN 0.947 nan 8.210 nan 0.000 0.437 188 G N 3.921 112.719 108.800 -0.003 0.000 2.673 188 G HA2 0.424 4.384 3.960 0.000 0.000 0.292 188 G HA3 0.424 4.384 3.960 0.000 0.000 0.292 188 G C -0.190 174.708 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.357 120.864 121.223 -0.002 0.000 2.201 189 L HA 0.058 4.398 4.340 0.000 0.000 0.212 189 L C 0.814 177.683 176.870 -0.001 0.000 1.105 189 L CA 0.675 55.514 54.840 -0.002 0.000 0.775 189 L CB 0.087 42.145 42.059 -0.002 0.000 0.913 189 L HN 0.375 nan 8.230 nan 0.000 0.440 190 D N -0.243 120.156 120.400 -0.001 0.000 2.295 190 D HA 0.113 4.753 4.640 0.000 0.000 0.248 190 D C -1.531 174.769 176.300 -0.000 0.000 1.154 190 D CA -2.002 51.998 54.000 -0.001 0.000 0.857 190 D CB 1.748 42.547 40.800 -0.001 0.000 1.117 190 D HN -0.165 nan 8.370 nan 0.000 0.468 191 P HA -0.143 nan 4.420 nan 0.000 0.217 191 P C 0.491 177.792 177.300 0.002 0.000 1.151 191 P CA 1.329 64.430 63.100 0.001 0.000 0.849 191 P CB 0.267 31.968 31.700 0.002 0.000 0.787 192 K N -1.409 118.993 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 0.000 0.000 0.199 192 K C 0.762 177.364 176.600 0.003 0.000 1.028 192 K CA -0.249 56.040 56.287 0.004 0.000 1.164 192 K CB -0.287 32.215 32.500 0.004 0.000 0.877 192 K HN 0.193 nan 8.250 nan 0.000 0.508 193 M N 1.960 121.561 119.600 0.001 0.000 2.219 193 M HA 0.084 4.564 4.480 0.000 0.000 0.353 193 M C -1.061 175.239 176.300 -0.000 0.000 1.304 193 M CA 0.350 55.650 55.300 -0.000 0.000 1.115 193 M CB 0.693 33.293 32.600 -0.001 0.000 1.664 193 M HN -0.209 nan 8.290 nan 0.000 0.459 194 V N 4.670 124.584 119.914 -0.000 0.000 2.623 194 V HA 0.732 4.852 4.120 0.000 0.000 0.304 194 V C -0.675 175.416 176.094 -0.004 0.000 1.054 194 V CA -0.834 61.466 62.300 -0.001 0.000 0.882 194 V CB 1.694 33.519 31.823 0.003 0.000 1.002 194 V HN 0.952 nan 8.190 nan 0.000 0.424 195 A N 3.419 126.234 122.820 -0.008 0.000 2.357 195 A HA 0.907 5.227 4.320 0.000 0.000 0.295 195 A C -0.122 177.450 177.584 -0.019 0.000 1.121 195 A CA -0.292 51.737 52.037 -0.013 0.000 0.742 195 A CB 1.481 20.474 19.000 -0.013 0.000 1.181 195 A HN 0.942 nan 8.150 nan 0.000 0.454 196 T N -1.914 112.625 114.554 -0.024 0.000 2.907 196 T HA 0.601 4.951 4.350 0.000 0.000 0.290 196 T C -0.635 174.036 174.700 -0.049 0.000 1.066 196 T CA -0.791 61.289 62.100 -0.034 0.000 1.012 196 T CB 1.474 70.326 68.868 -0.026 0.000 1.184 196 T HN 1.017 nan 8.240 nan 0.000 0.522 197 C N 2.387 121.648 119.300 -0.065 0.000 2.293 197 C HA 0.628 5.088 4.460 0.000 0.000 0.323 197 C C -0.789 174.140 174.990 -0.100 0.000 1.240 197 C CA -0.491 58.476 59.018 -0.084 0.000 1.497 197 C CB -1.151 26.533 27.740 -0.094 0.000 2.171 197 C HN 0.878 nan 8.230 nan 0.000 0.465 198 D N 2.885 123.227 120.400 -0.097 0.000 2.277 198 D HA 0.294 4.934 4.640 0.000 0.000 0.250 198 D C -0.020 176.231 176.300 -0.081 0.000 1.032 198 D CA 0.025 53.977 54.000 -0.080 0.000 0.947 198 D CB 1.520 42.279 40.800 -0.069 0.000 1.159 198 D HN 0.540 nan 8.370 nan 0.000 0.460 199 S N 0.054 115.715 115.700 -0.065 0.000 2.555 199 S HA 0.114 4.584 4.470 0.000 0.000 0.293 199 S C 1.073 175.668 174.600 -0.009 0.000 1.248 199 S CA -0.124 58.031 58.200 -0.076 0.000 1.096 199 S CB 0.136 63.271 63.200 -0.108 0.000 0.881 199 S HN 0.518 nan 8.310 nan 0.000 0.498 200 S N 1.329 117.026 115.700 -0.005 0.000 2.930 200 S HA 0.121 4.591 4.470 0.000 0.000 0.253 200 S C -0.350 174.293 174.600 0.071 0.000 1.083 200 S CA -0.535 57.692 58.200 0.044 0.000 0.836 200 S CB -0.446 62.749 63.200 -0.009 0.000 0.814 200 S HN 0.571 nan 8.310 nan 0.000 0.467 201 D N 3.451 123.886 120.400 0.058 0.000 2.571 201 D HA 0.240 4.880 4.640 0.000 0.000 0.231 201 D C 0.108 176.479 176.300 0.118 0.000 1.133 201 D CA 0.619 54.673 54.000 0.090 0.000 0.862 201 D CB -0.056 40.811 40.800 0.113 0.000 1.179 201 D HN 0.174 nan 8.370 nan 0.000 0.474 202 R N -0.411 120.151 120.500 0.104 0.000 3.125 202 R HA -0.101 4.239 4.340 0.000 0.000 0.258 202 R C -2.484 173.861 176.300 0.074 0.000 0.968 202 R CA -0.033 56.122 56.100 0.093 0.000 0.656 202 R CB -1.849 28.537 30.300 0.144 0.000 1.251 202 R HN 0.452 nan 8.270 nan 0.000 0.428 203 P HA 0.084 nan 4.420 nan 0.000 0.272 203 P C -0.273 177.013 177.300 -0.023 0.000 1.230 203 P CA -0.119 63.003 63.100 0.036 0.000 0.788 203 P CB 0.735 32.466 31.700 0.051 0.000 0.949 204 R N 1.239 121.700 120.500 -0.065 0.000 2.407 204 R HA 0.515 4.855 4.340 0.000 0.000 0.303 204 R C -1.348 174.825 176.300 -0.212 0.000 0.981 204 R CA -0.727 55.276 56.100 -0.162 0.000 0.905 204 R CB 0.870 31.056 30.300 -0.190 0.000 1.099 204 R HN 0.260 nan 8.270 nan 0.000 0.459 205 V N 5.503 125.256 119.914 -0.268 0.000 2.487 205 V HA 0.360 4.480 4.120 0.000 0.000 0.298 205 V C -1.187 174.728 176.094 -0.299 0.000 1.028 205 V CA -0.703 61.475 62.300 -0.203 0.000 0.860 205 V CB 1.461 33.223 31.823 -0.101 0.000 0.991 205 V HN 0.688 nan 8.190 nan 0.000 0.427 206 Y N 1.833 122.112 120.300 -0.035 0.000 2.342 206 Y HA 0.589 5.139 4.550 0.000 0.000 0.334 206 Y C 0.772 176.633 175.900 -0.065 0.000 1.067 206 Y CA -0.503 57.572 58.100 -0.041 0.000 1.128 206 Y CB 2.002 40.444 38.460 -0.030 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.207 119.805 114.554 0.073 0.000 2.786 207 T HA 0.572 4.922 4.350 0.000 0.000 0.283 207 T C -0.556 174.097 174.700 -0.078 0.000 0.992 207 T CA -0.519 61.568 62.100 -0.021 0.000 0.954 207 T CB 0.294 69.140 68.868 -0.037 0.000 0.934 207 T HN 0.377 nan 8.240 nan 0.000 0.440 208 I N 2.917 123.381 120.570 -0.178 0.000 2.411 208 I HA 0.243 4.413 4.170 0.000 0.000 0.284 208 I C 0.273 176.179 176.117 -0.352 0.000 1.012 208 I CA -0.639 60.461 61.300 -0.333 0.000 1.119 208 I CB 1.671 39.312 38.000 -0.599 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.784 120.181 114.554 -0.262 0.000 2.863 209 T HA 0.199 4.549 4.350 0.000 0.000 0.299 209 T C 1.230 175.778 174.700 -0.253 0.000 0.973 209 T CA -0.228 61.746 62.100 -0.210 0.000 0.994 209 T CB 1.042 69.837 68.868 -0.122 0.000 0.961 209 T HN 0.753 nan 8.240 nan 0.000 0.552 210 A N 2.890 125.526 122.820 -0.307 0.000 2.014 210 A HA 0.551 4.871 4.320 0.000 0.000 0.218 210 A C 1.219 178.771 177.584 -0.054 0.000 1.163 210 A CA 0.604 52.493 52.037 -0.247 0.000 0.652 210 A CB 0.100 19.030 19.000 -0.116 0.000 0.808 210 A HN 0.893 nan 8.150 nan 0.000 0.449 211 A N -0.854 121.942 122.820 -0.040 0.000 2.555 211 A HA 0.539 4.859 4.320 0.000 0.000 0.297 211 A C -1.996 175.606 177.584 0.030 0.000 1.060 211 A CA -0.362 51.702 52.037 0.045 0.000 0.710 211 A CB 1.025 20.095 19.000 0.117 0.000 1.282 211 A HN 0.025 nan 8.150 nan 0.000 0.399 212 D N 2.201 122.644 120.400 0.073 0.000 2.375 212 D HA 0.433 5.073 4.640 0.000 0.000 0.259 212 D C -0.764 175.588 176.300 0.087 0.000 1.235 212 D CA 0.268 54.299 54.000 0.051 0.000 0.924 212 D CB 0.476 41.293 40.800 0.029 0.000 1.143 212 D HN 0.472 nan 8.370 nan 0.000 0.529 213 D N 2.094 122.544 120.400 0.084 0.000 2.686 213 D HA -0.298 4.343 4.640 0.000 0.000 0.235 213 D C -0.493 175.890 176.300 0.138 0.000 1.160 213 D CA 0.576 54.633 54.000 0.094 0.000 0.645 213 D CB -1.801 39.032 40.800 0.056 0.000 1.039 213 D HN 0.454 nan 8.370 nan 0.000 0.423 214 Y N 1.316 121.675 120.300 0.099 0.000 2.537 214 Y HA 0.137 4.687 4.550 0.000 0.000 0.339 214 Y C 0.503 176.494 175.900 0.153 0.000 1.066 214 Y CA -0.095 58.081 58.100 0.127 0.000 1.357 214 Y CB 0.510 39.072 38.460 0.171 0.000 1.175 214 Y HN -0.019 nan 8.280 nan 0.000 0.525 215 Q N 7.336 126.743 119.800 -0.655 0.000 2.288 215 Q HA 0.160 4.500 4.340 0.000 0.000 0.258 215 Q C -1.199 174.194 176.000 -1.011 0.000 0.957 215 Q CA -0.263 55.193 55.803 -0.579 0.000 0.919 215 Q CB 1.493 30.025 28.738 -0.343 0.000 1.185 215 Q HN 0.753 nan 8.270 nan 0.000 0.408 216 F N 1.185 120.592 119.950 -0.904 0.000 2.469 216 F HA 0.510 5.037 4.527 0.000 0.000 0.332 216 F C -0.594 174.846 175.800 -0.600 0.000 1.103 216 F CA -0.516 56.933 58.000 -0.919 0.000 0.979 216 F CB 1.783 39.739 39.000 -1.741 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.062 119.005 115.700 -1.262 0.000 2.603 217 S HA 0.672 5.142 4.470 0.000 0.000 0.274 217 S C -1.462 172.595 174.600 -0.905 0.000 1.168 217 S CA -0.386 57.296 58.200 -0.862 0.000 0.963 217 S CB 1.233 64.166 63.200 -0.445 0.000 1.078 217 S HN 0.949 nan 8.310 nan 0.000 0.477 218 S N 2.792 118.108 115.700 -0.640 0.000 2.565 218 S HA 0.403 4.873 4.470 0.000 0.000 0.274 218 S C -1.818 172.709 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.442 64.412 63.200 -0.383 0.000 1.103 218 S HN 0.748 nan 8.310 nan 0.000 0.455 219 Q N 1.576 121.345 119.800 -0.051 0.000 2.354 219 Q HA 0.205 4.545 4.340 0.000 0.000 0.244 219 Q C -0.740 175.318 176.000 0.096 0.000 0.969 219 Q CA -0.211 55.610 55.803 0.029 0.000 0.885 219 Q CB 0.512 29.260 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.794 122.112 120.300 0.029 0.000 2.788 220 Y HA -0.068 4.482 4.550 0.000 0.000 0.341 220 Y C -0.496 175.431 175.900 0.045 0.000 1.258 220 Y CA 0.611 58.741 58.100 0.049 0.000 1.503 220 Y CB 0.477 38.962 38.460 0.042 0.000 1.325 220 Y HN 0.478 nan 8.280 nan 0.000 0.614 221 Q N 6.999 126.286 119.800 -0.855 0.000 2.268 221 Q HA 0.420 4.760 4.340 0.000 0.000 0.266 221 Q C -2.962 172.466 176.000 -0.953 0.000 1.006 221 Q CA -2.557 52.772 55.803 -0.791 0.000 0.824 221 Q CB 2.047 30.620 28.738 -0.275 0.000 1.306 221 Q HN 0.418 nan 8.270 nan 0.000 0.424 222 P HA 0.149 nan 4.420 nan 0.000 0.263 222 P C 0.512 177.730 177.300 -0.136 0.000 1.195 222 P CA 1.333 64.277 63.100 -0.260 0.000 0.762 222 P CB 0.755 32.391 31.700 -0.107 0.000 0.799 223 G N 2.164 110.937 108.800 -0.045 0.000 2.268 223 G HA2 0.008 3.968 3.960 0.000 0.000 0.240 223 G HA3 0.008 3.968 3.960 0.000 0.000 0.240 223 G C 0.465 175.360 174.900 -0.008 0.000 1.010 223 G CA 0.229 45.318 45.100 -0.018 0.000 0.618 223 G HN 1.066 nan 8.290 nan 0.000 0.516 224 G N -2.276 106.504 108.800 -0.034 0.000 2.631 224 G HA2 0.318 4.278 3.960 0.000 0.000 0.504 224 G HA3 0.318 4.278 3.960 0.000 0.000 0.504 224 G C -0.582 174.336 174.900 0.030 0.000 1.306 224 G CA 0.086 45.198 45.100 0.020 0.000 0.897 224 G HN 1.549 nan 8.290 nan 0.000 0.520 225 V N 0.837 120.812 119.914 0.102 0.000 2.407 225 V HA 0.648 4.768 4.120 0.000 0.000 0.291 225 V C 0.413 176.597 176.094 0.149 0.000 1.018 225 V CA -0.220 62.167 62.300 0.145 0.000 0.842 225 V CB 1.578 33.555 31.823 0.257 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.884 121.505 114.554 0.112 0.000 2.799 226 T HA 0.725 5.075 4.350 0.000 0.000 0.286 226 T C -0.181 174.594 174.700 0.126 0.000 0.973 226 T CA -0.082 62.076 62.100 0.097 0.000 1.035 226 T CB 0.871 69.777 68.868 0.064 0.000 0.932 226 T HN 0.650 nan 8.240 nan 0.000 0.469 227 I N -0.654 119.997 120.570 0.135 0.000 2.785 227 I HA 0.667 4.837 4.170 0.000 0.000 0.302 227 I C -0.452 175.725 176.117 0.101 0.000 1.069 227 I CA -0.933 60.458 61.300 0.151 0.000 1.045 227 I CB 2.342 40.494 38.000 0.253 0.000 1.236 227 I HN 0.300 nan 8.210 nan 0.000 0.429 228 T N 4.989 119.581 114.554 0.063 0.000 2.832 228 T HA 0.242 4.592 4.350 0.000 0.000 0.313 228 T C 0.731 175.439 174.700 0.014 0.000 1.035 228 T CA -0.274 61.832 62.100 0.010 0.000 0.950 228 T CB 1.068 69.918 68.868 -0.030 0.000 0.984 228 T HN 0.593 nan 8.240 nan 0.000 0.486 229 L N 4.496 125.733 121.223 0.024 0.000 2.046 229 L HA 0.239 4.579 4.340 0.000 0.000 0.208 229 L C 0.222 177.162 176.870 0.117 0.000 1.077 229 L CA 1.762 56.645 54.840 0.071 0.000 0.747 229 L CB -0.281 41.891 42.059 0.188 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.273 116.672 119.950 -0.008 0.000 2.686 230 F HA 0.656 5.183 4.527 0.000 0.000 0.311 230 F C -0.696 175.098 175.800 -0.010 0.000 1.128 230 F CA -0.910 57.074 58.000 -0.027 0.000 0.946 230 F CB 0.776 39.749 39.000 -0.044 0.000 1.336 230 F HN -0.303 nan 8.300 nan 0.000 0.457 231 S N 1.129 116.951 115.700 0.204 0.000 2.548 231 S HA 0.893 5.363 4.470 0.000 0.000 0.276 231 S C -1.518 173.207 174.600 0.208 0.000 1.129 231 S CA 0.081 58.342 58.200 0.100 0.000 0.931 231 S CB 1.260 64.462 63.200 0.003 0.000 1.068 231 S HN 1.668 nan 8.310 nan 0.000 0.480 232 A N 3.854 126.779 122.820 0.175 0.000 2.488 232 A HA 0.708 5.028 4.320 0.000 0.000 0.298 232 A C -1.197 176.373 177.584 -0.023 0.000 1.044 232 A CA -0.890 51.194 52.037 0.079 0.000 0.693 232 A CB 1.071 20.116 19.000 0.074 0.000 1.272 232 A HN 0.716 nan 8.150 nan 0.000 0.402 233 N N 1.422 120.091 118.700 -0.053 0.000 2.470 233 N HA 0.536 5.276 4.740 0.000 0.000 0.268 233 N C -0.230 175.145 175.510 -0.225 0.000 1.136 233 N CA 0.270 53.273 53.050 -0.079 0.000 0.961 233 N CB 0.555 39.030 38.487 -0.020 0.000 1.067 233 N HN 0.749 nan 8.380 nan 0.000 0.468 234 I N -2.172 118.243 120.570 -0.258 0.000 3.174 234 I HA 0.612 4.782 4.170 0.000 0.000 0.313 234 I C -1.109 174.955 176.117 -0.088 0.000 1.155 234 I CA -0.958 60.045 61.300 -0.496 0.000 0.977 234 I CB 2.709 40.250 38.000 -0.765 0.000 1.248 234 I HN 0.030 nan 8.210 nan 0.000 0.453 235 D N 2.169 122.627 120.400 0.097 0.000 2.646 235 D HA 0.718 5.358 4.640 0.000 0.000 0.245 235 D C -1.171 175.214 176.300 0.142 0.000 1.099 235 D CA -0.230 53.857 54.000 0.145 0.000 0.849 235 D CB 2.396 43.312 40.800 0.193 0.000 1.448 235 D HN 0.905 nan 8.370 nan 0.000 0.489 236 A N 2.019 124.887 122.820 0.081 0.000 2.517 236 A HA 0.532 4.852 4.320 0.000 0.000 0.297 236 A C -0.179 177.408 177.584 0.006 0.000 1.050 236 A CA -0.518 51.552 52.037 0.055 0.000 0.694 236 A CB 0.919 19.951 19.000 0.053 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.543 121.101 120.570 -0.020 0.000 4.124 237 I HA 0.118 4.288 4.170 0.000 0.000 0.311 237 I C 1.270 177.378 176.117 -0.016 0.000 1.259 237 I CA 1.067 62.316 61.300 -0.084 0.000 1.315 237 I CB 0.645 38.499 38.000 -0.243 0.000 1.223 237 I HN 0.788 nan 8.210 nan 0.000 0.441 238 T N -1.452 113.131 114.554 0.048 0.000 2.762 238 T HA 0.407 4.758 4.350 0.000 0.000 0.272 238 T C 0.325 175.076 174.700 0.085 0.000 0.982 238 T CA -0.491 61.656 62.100 0.077 0.000 1.013 238 T CB 1.128 70.071 68.868 0.126 0.000 1.309 238 T HN 0.126 nan 8.240 nan 0.000 0.572 239 S N 0.635 116.403 115.700 0.113 0.000 2.558 239 S HA 0.368 4.838 4.470 0.000 0.000 0.291 239 S C 0.035 174.744 174.600 0.181 0.000 1.306 239 S CA -0.438 57.857 58.200 0.157 0.000 1.056 239 S CB -0.990 62.323 63.200 0.189 0.000 0.836 239 S HN 1.180 nan 8.310 nan 0.000 0.504 240 L N -0.480 120.810 121.223 0.113 0.000 2.491 240 L HA 0.951 5.291 4.340 0.000 0.000 0.254 240 L C -0.655 176.218 176.870 0.006 0.000 1.048 240 L CA -1.009 53.795 54.840 -0.061 0.000 0.855 240 L CB 1.866 43.908 42.059 -0.028 0.000 1.466 240 L HN 0.851 nan 8.230 nan 0.000 0.409 241 S N -0.227 115.433 115.700 -0.066 0.000 2.569 241 S HA 0.890 5.360 4.470 0.000 0.000 0.280 241 S C -1.075 173.550 174.600 0.042 0.000 1.111 241 S CA -0.691 57.537 58.200 0.046 0.000 0.887 241 S CB 1.974 65.247 63.200 0.122 0.000 1.095 241 S HN 0.663 nan 8.310 nan 0.000 0.476 242 V N 1.459 121.426 119.914 0.088 0.000 2.487 242 V HA 0.844 4.964 4.120 0.000 0.000 0.298 242 V C 0.680 176.857 176.094 0.139 0.000 1.028 242 V CA -0.007 62.358 62.300 0.107 0.000 0.860 242 V CB 1.209 33.129 31.823 0.162 0.000 0.991 242 V HN 1.250 nan 8.190 nan 0.000 0.427 243 G N 1.790 110.645 108.800 0.092 0.000 2.714 243 G HA2 0.909 4.869 3.960 0.000 0.000 0.292 243 G HA3 0.909 4.869 3.960 0.000 0.000 0.292 243 G C -0.150 174.783 174.900 0.054 0.000 1.308 243 G CA -0.229 44.934 45.100 0.105 0.000 0.964 243 G HN 1.491 nan 8.290 nan 0.000 0.484 244 G N -1.142 107.707 108.800 0.082 0.000 2.373 244 G HA2 0.351 4.311 3.960 0.000 0.000 0.634 244 G HA3 0.351 4.311 3.960 0.000 0.000 0.634 244 G C -1.002 173.982 174.900 0.139 0.000 1.267 244 G CA 0.048 45.165 45.100 0.028 0.000 1.008 244 G HN 0.927 nan 8.290 nan 0.000 0.497 245 E N -1.145 119.104 120.200 0.081 0.000 2.354 245 E HA 0.550 4.900 4.350 0.000 0.000 0.283 245 E C -0.937 175.718 176.600 0.092 0.000 0.938 245 E CA -0.766 55.743 56.400 0.181 0.000 0.777 245 E CB 1.574 31.340 29.700 0.109 0.000 1.222 245 E HN 0.601 nan 8.360 nan 0.000 0.423 246 L N 2.987 124.318 121.223 0.181 0.000 2.322 246 L HA 0.632 4.972 4.340 0.000 0.000 0.279 246 L C -0.660 176.153 176.870 -0.094 0.000 1.036 246 L CA -1.109 53.714 54.840 -0.029 0.000 0.807 246 L CB 1.774 43.814 42.059 -0.032 0.000 1.226 246 L HN 0.297 nan 8.230 nan 0.000 0.433 247 V N 2.592 122.346 119.914 -0.266 0.000 2.448 247 V HA 0.432 4.552 4.120 0.000 0.000 0.295 247 V C -0.712 175.177 176.094 -0.341 0.000 1.025 247 V CA -0.441 61.765 62.300 -0.157 0.000 0.859 247 V CB 1.633 33.419 31.823 -0.063 0.000 0.988 247 V HN 0.368 nan 8.190 nan 0.000 0.431 248 F N 4.497 124.431 119.950 -0.025 0.000 2.444 248 F HA 0.677 5.204 4.527 0.000 0.000 0.342 248 F C 0.604 176.421 175.800 0.028 0.000 1.121 248 F CA -0.682 57.301 58.000 -0.029 0.000 0.997 248 F CB 1.530 40.414 39.000 -0.193 0.000 1.130 248 F HN 0.270 nan 8.300 nan 0.000 0.454 249 R N 1.261 121.909 120.500 0.245 0.000 2.732 249 R HA 0.747 5.087 4.340 0.000 0.000 0.278 249 R C -0.567 175.880 176.300 0.244 0.000 0.976 249 R CA -0.721 55.491 56.100 0.186 0.000 0.963 249 R CB 2.016 32.394 30.300 0.131 0.000 1.150 249 R HN 0.680 nan 8.270 nan 0.000 0.478 250 T N -1.196 113.456 114.554 0.163 0.000 2.885 250 T HA 0.232 4.582 4.350 0.000 0.000 0.322 250 T C 0.021 174.765 174.700 0.073 0.000 1.387 250 T CA -0.445 61.753 62.100 0.164 0.000 1.041 250 T CB 1.422 70.411 68.868 0.202 0.000 1.287 250 T HN 0.430 nan 8.240 nan 0.000 0.491 251 S N 1.141 116.883 115.700 0.071 0.000 2.511 251 S HA 0.248 4.718 4.470 0.000 0.000 0.214 251 S C 0.389 175.009 174.600 0.034 0.000 0.997 251 S CA -0.086 58.137 58.200 0.038 0.000 0.908 251 S CB 0.410 63.637 63.200 0.045 0.000 0.803 251 S HN 0.593 nan 8.310 nan 0.000 0.504 252 V N 3.757 123.703 119.914 0.053 0.000 2.407 252 V HA 0.258 4.378 4.120 0.000 0.000 0.278 252 V C 0.088 176.209 176.094 0.045 0.000 1.037 252 V CA -0.760 61.587 62.300 0.077 0.000 0.900 252 V CB 0.638 32.525 31.823 0.107 0.000 0.983 252 V HN 0.423 nan 8.190 nan 0.000 0.459 253 H N 3.138 122.236 119.070 0.046 0.000 2.707 253 H HA 0.277 4.833 4.556 0.000 0.000 0.359 253 H C 1.258 176.602 175.328 0.027 0.000 1.113 253 H CA 1.361 57.429 56.048 0.033 0.000 1.422 253 H CB 1.352 31.125 29.762 0.018 0.000 1.443 253 H HN 1.001 nan 8.280 nan 0.000 0.591 254 G N 3.286 112.171 108.800 0.141 0.000 2.160 254 G HA2 -0.226 3.734 3.960 0.000 0.000 0.244 254 G HA3 -0.226 3.734 3.960 0.000 0.000 0.244 254 G C 0.056 174.992 174.900 0.060 0.000 1.022 254 G CA -0.133 45.020 45.100 0.088 0.000 0.741 254 G HN 0.466 nan 8.290 nan 0.000 0.508 255 L N 0.076 121.334 121.223 0.058 0.000 2.312 255 L HA 0.627 4.967 4.340 0.000 0.000 0.281 255 L C 0.406 177.280 176.870 0.007 0.000 1.070 255 L CA -0.958 53.921 54.840 0.065 0.000 0.805 255 L CB 1.680 43.808 42.059 0.116 0.000 1.174 255 L HN -0.048 nan 8.230 nan 0.000 0.434 256 V N 4.862 124.778 119.914 0.003 0.000 2.487 256 V HA 0.432 4.552 4.120 0.000 0.000 0.298 256 V C 0.004 176.039 176.094 -0.099 0.000 1.028 256 V CA -0.479 61.791 62.300 -0.049 0.000 0.860 256 V CB 2.138 33.950 31.823 -0.019 0.000 0.991 256 V HN 0.518 nan 8.190 nan 0.000 0.427 257 L N 3.971 125.074 121.223 -0.200 0.000 2.317 257 L HA 0.807 5.147 4.340 0.000 0.000 0.281 257 L C 0.587 177.319 176.870 -0.230 0.000 1.024 257 L CA -0.315 54.346 54.840 -0.298 0.000 0.810 257 L CB 1.913 43.612 42.059 -0.600 0.000 1.240 257 L HN 0.776 nan 8.230 nan 0.000 0.427 258 G N 1.773 110.463 108.800 -0.184 0.000 2.452 258 G HA2 0.768 4.728 3.960 0.000 0.000 0.324 258 G HA3 0.768 4.728 3.960 0.000 0.000 0.324 258 G C -1.389 173.425 174.900 -0.143 0.000 1.214 258 G CA -0.389 44.626 45.100 -0.141 0.000 0.947 258 G HN 0.734 nan 8.290 nan 0.000 0.478 259 A N 1.179 123.916 122.820 -0.139 0.000 2.488 259 A HA 0.868 5.188 4.320 0.000 0.000 0.298 259 A C -0.448 177.059 177.584 -0.129 0.000 1.044 259 A CA -0.574 51.399 52.037 -0.108 0.000 0.693 259 A CB 1.861 20.798 19.000 -0.105 0.000 1.272 259 A HN 0.783 nan 8.150 nan 0.000 0.402 260 T N 2.440 116.926 114.554 -0.114 0.000 2.886 260 T HA 0.553 4.903 4.350 0.000 0.000 0.292 260 T C -0.570 173.965 174.700 -0.274 0.000 1.012 260 T CA -0.234 61.713 62.100 -0.255 0.000 0.982 260 T CB 1.125 69.763 68.868 -0.382 0.000 1.018 260 T HN 0.508 nan 8.240 nan 0.000 0.451 261 I N 3.026 123.420 120.570 -0.293 0.000 2.359 261 I HA 0.397 4.567 4.170 0.000 0.000 0.294 261 I C -1.061 174.845 176.117 -0.353 0.000 0.987 261 I CA -0.788 60.402 61.300 -0.184 0.000 1.225 261 I CB 1.062 39.073 38.000 0.018 0.000 1.366 261 I HN 0.630 nan 8.210 nan 0.000 0.466 262 Y N 6.270 126.546 120.300 -0.040 0.000 2.364 262 Y HA 0.492 5.042 4.550 0.000 0.000 0.340 262 Y C -0.284 175.596 175.900 -0.033 0.000 0.975 262 Y CA -0.727 57.351 58.100 -0.037 0.000 1.089 262 Y CB 1.514 39.944 38.460 -0.050 0.000 1.192 262 Y HN 0.298 nan 8.280 nan 0.000 0.454 263 L N 5.283 126.575 121.223 0.115 0.000 2.280 263 L HA 0.458 4.798 4.340 0.000 0.000 0.287 263 L C -0.815 176.092 176.870 0.061 0.000 1.023 263 L CA -0.584 54.296 54.840 0.066 0.000 0.819 263 L CB 0.705 42.788 42.059 0.039 0.000 1.212 263 L HN 0.480 nan 8.230 nan 0.000 0.420 264 I N 2.422 123.016 120.570 0.039 0.000 2.392 264 I HA 0.399 4.569 4.170 0.000 0.000 0.295 264 I C 0.913 177.042 176.117 0.019 0.000 0.985 264 I CA -0.213 61.099 61.300 0.020 0.000 1.221 264 I CB 1.410 39.406 38.000 -0.008 0.000 1.366 264 I HN 0.553 nan 8.210 nan 0.000 0.467 265 G N 3.337 112.149 108.800 0.020 0.000 2.562 265 G HA2 0.176 4.136 3.960 0.000 0.000 0.275 265 G HA3 0.176 4.136 3.960 0.000 0.000 0.275 265 G C 0.458 175.405 174.900 0.078 0.000 1.196 265 G CA -0.343 44.787 45.100 0.050 0.000 0.908 265 G HN 0.593 nan 8.290 nan 0.000 0.524 266 F N 0.690 120.620 119.950 -0.032 0.000 2.192 266 F HA -0.169 4.358 4.527 0.000 0.000 0.301 266 F C 2.177 177.888 175.800 -0.147 0.000 1.079 266 F CA 2.061 59.969 58.000 -0.153 0.000 1.303 266 F CB 0.239 39.026 39.000 -0.356 0.000 1.024 266 F HN 0.439 nan 8.300 nan 0.000 0.494 267 D N -1.050 119.339 120.400 -0.019 0.000 2.319 267 D HA 0.152 4.792 4.640 0.000 0.000 0.230 267 D C 1.789 178.059 176.300 -0.049 0.000 1.094 267 D CA 0.697 54.681 54.000 -0.026 0.000 0.856 267 D CB -0.574 40.376 40.800 0.249 0.000 0.915 267 D HN 0.403 nan 8.370 nan 0.000 0.517 268 G N -0.622 108.128 108.800 -0.083 0.000 2.179 268 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 268 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 268 G C 0.470 175.347 174.900 -0.038 0.000 0.977 268 G CA 0.465 45.521 45.100 -0.073 0.000 0.641 268 G HN 0.509 nan 8.290 nan 0.000 0.533 269 T N 1.738 116.291 114.554 -0.001 0.000 2.910 269 T HA 0.504 4.854 4.350 0.000 0.000 0.293 269 T C 0.712 175.418 174.700 0.010 0.000 1.015 269 T CA 0.640 62.748 62.100 0.013 0.000 1.094 269 T CB 0.834 69.732 68.868 0.051 0.000 0.968 269 T HN 0.200 nan 8.240 nan 0.000 0.521 270 T N 3.639 118.202 114.554 0.015 0.000 2.799 270 T HA 0.150 4.500 4.350 0.000 0.000 0.296 270 T C 1.456 176.183 174.700 0.045 0.000 0.947 270 T CA -0.478 61.651 62.100 0.048 0.000 1.141 270 T CB 0.707 69.628 68.868 0.089 0.000 0.891 270 T HN 0.363 nan 8.240 nan 0.000 0.533 271 V N 4.081 124.017 119.914 0.036 0.000 2.492 271 V HA 0.273 4.393 4.120 0.000 0.000 0.241 271 V C 0.702 176.810 176.094 0.024 0.000 1.041 271 V CA 0.899 63.205 62.300 0.010 0.000 1.057 271 V CB -0.020 31.793 31.823 -0.017 0.000 0.711 271 V HN 0.723 nan 8.190 nan 0.000 0.468 272 I N -0.355 120.239 120.570 0.039 0.000 2.619 272 I HA 0.433 4.603 4.170 0.000 0.000 0.292 272 I C -0.580 175.553 176.117 0.026 0.000 1.100 272 I CA -0.062 61.253 61.300 0.025 0.000 1.043 272 I CB 2.433 40.440 38.000 0.012 0.000 1.239 272 I HN 0.049 nan 8.210 nan 0.000 0.420 273 T N 5.701 120.244 114.554 -0.019 0.000 2.840 273 T HA 0.579 4.929 4.350 0.000 0.000 0.287 273 T C -0.997 173.601 174.700 -0.170 0.000 0.991 273 T CA -0.665 61.350 62.100 -0.142 0.000 0.964 273 T CB 0.703 69.531 68.868 -0.066 0.000 0.954 273 T HN 0.418 nan 8.240 nan 0.000 0.438 274 R N 3.320 123.676 120.500 -0.240 0.000 2.483 274 R HA 0.594 4.934 4.340 0.000 0.000 0.303 274 R C -0.299 175.875 176.300 -0.209 0.000 0.987 274 R CA -0.685 55.313 56.100 -0.169 0.000 0.881 274 R CB 1.530 31.770 30.300 -0.099 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.803 125.517 122.820 -0.177 0.000 2.491 275 A HA 0.192 4.512 4.320 0.000 0.000 0.261 275 A C 1.088 178.565 177.584 -0.178 0.000 1.101 275 A CA -0.185 51.748 52.037 -0.172 0.000 0.772 275 A CB 0.365 19.287 19.000 -0.130 0.000 1.043 275 A HN 0.524 nan 8.150 nan 0.000 0.501 276 V N 2.018 121.798 119.914 -0.224 0.000 2.825 276 V HA 0.344 4.464 4.120 0.000 0.000 0.246 276 V C 1.123 177.030 176.094 -0.311 0.000 1.068 276 V CA 1.715 63.819 62.300 -0.327 0.000 1.088 276 V CB -0.139 31.360 31.823 -0.540 0.000 0.733 276 V HN 1.179 nan 8.190 nan 0.000 0.468 277 A N -0.276 122.396 122.820 -0.246 0.000 2.485 277 A HA 0.821 5.141 4.320 0.000 0.000 0.285 277 A C -0.705 176.781 177.584 -0.163 0.000 1.045 277 A CA 0.201 52.118 52.037 -0.200 0.000 0.792 277 A CB 1.082 19.950 19.000 -0.220 0.000 1.307 277 A HN 0.411 nan 8.150 nan 0.000 0.406 278 A N 2.275 125.018 122.820 -0.128 0.000 2.337 278 A HA 0.785 5.105 4.320 0.000 0.000 0.331 278 A C 0.344 177.873 177.584 -0.093 0.000 1.137 278 A CA -0.123 51.852 52.037 -0.103 0.000 0.807 278 A CB 0.303 19.255 19.000 -0.081 0.000 1.250 278 A HN 2.286 nan 8.150 nan 0.000 0.468 279 N N 1.012 119.664 118.700 -0.081 0.000 2.558 279 N HA -0.224 4.516 4.740 0.000 0.000 0.302 279 N C -0.906 174.555 175.510 -0.081 0.000 1.322 279 N CA 1.030 54.039 53.050 -0.068 0.000 0.687 279 N CB -0.382 38.078 38.487 -0.045 0.000 0.992 279 N HN 0.773 nan 8.380 nan 0.000 0.524 280 N N 2.509 121.147 118.700 -0.103 0.000 2.621 280 N HA 0.311 5.051 4.740 0.000 0.000 0.271 280 N C -0.375 175.063 175.510 -0.120 0.000 1.181 280 N CA 0.144 53.123 53.050 -0.118 0.000 0.805 280 N CB 1.021 39.410 38.487 -0.164 0.000 1.351 280 N HN 0.578 nan 8.380 nan 0.000 0.539 281 G N 2.409 111.163 108.800 -0.077 0.000 2.398 281 G HA2 0.362 4.322 3.960 0.000 0.000 0.246 281 G HA3 0.362 4.322 3.960 0.000 0.000 0.246 281 G C -0.007 174.853 174.900 -0.067 0.000 1.289 281 G CA -0.114 44.951 45.100 -0.057 0.000 0.869 281 G HN 0.543 nan 8.290 nan 0.000 0.543 282 L N 1.957 123.142 121.223 -0.063 0.000 2.295 282 L HA 0.347 4.687 4.340 0.000 0.000 0.285 282 L C 0.444 177.292 176.870 -0.038 0.000 1.035 282 L CA -0.696 54.112 54.840 -0.054 0.000 0.806 282 L CB 1.705 43.730 42.059 -0.057 0.000 1.214 282 L HN 0.391 nan 8.230 nan 0.000 0.426 283 T N 0.690 115.225 114.554 -0.031 0.000 2.882 283 T HA 0.220 4.570 4.350 0.000 0.000 0.287 283 T C 0.324 174.978 174.700 -0.076 0.000 0.992 283 T CA -0.463 61.608 62.100 -0.048 0.000 1.076 283 T CB 1.263 70.122 68.868 -0.015 0.000 0.961 283 T HN 0.484 nan 8.240 nan 0.000 0.490 284 T N 2.282 116.733 114.554 -0.172 0.000 2.919 284 T HA 0.421 4.771 4.350 0.000 0.000 0.302 284 T C 1.435 176.099 174.700 -0.060 0.000 1.031 284 T CA 0.690 62.683 62.100 -0.179 0.000 1.127 284 T CB 0.447 69.072 68.868 -0.405 0.000 0.952 284 T HN 1.007 nan 8.240 nan 0.000 0.540 285 G N 2.854 111.642 108.800 -0.020 0.000 2.179 285 G HA2 -0.231 3.729 3.960 0.000 0.000 0.257 285 G HA3 -0.231 3.729 3.960 0.000 0.000 0.257 285 G C 0.198 175.107 174.900 0.016 0.000 1.010 285 G CA 0.370 45.474 45.100 0.008 0.000 0.736 285 G HN 0.913 nan 8.290 nan 0.000 0.513 286 T N -0.221 114.344 114.554 0.018 0.000 2.883 286 T HA 0.490 4.840 4.350 0.000 0.000 0.301 286 T C -0.880 173.843 174.700 0.038 0.000 1.158 286 T CA -0.846 61.269 62.100 0.024 0.000 1.007 286 T CB 1.875 70.754 68.868 0.018 0.000 1.186 286 T HN 0.074 nan 8.240 nan 0.000 0.499 287 D N 2.201 122.623 120.400 0.038 0.000 2.425 287 D HA 0.175 4.815 4.640 0.000 0.000 0.247 287 D C -0.314 176.019 176.300 0.055 0.000 1.147 287 D CA 0.306 54.334 54.000 0.047 0.000 0.879 287 D CB 0.350 41.171 40.800 0.034 0.000 1.179 287 D HN 0.380 nan 8.370 nan 0.000 0.456 288 N N 1.669 120.422 118.700 0.087 0.000 2.476 288 N HA 0.279 5.019 4.740 0.000 0.000 0.257 288 N C -0.599 174.991 175.510 0.134 0.000 0.970 288 N CA -0.479 52.625 53.050 0.091 0.000 0.938 288 N CB 1.275 39.812 38.487 0.083 0.000 1.144 288 N HN 0.162 nan 8.380 nan 0.000 0.500 289 L N 1.728 123.003 121.223 0.085 0.000 2.326 289 L HA 0.453 4.793 4.340 0.000 0.000 0.278 289 L C 0.118 177.049 176.870 0.101 0.000 1.092 289 L CA -0.148 54.748 54.840 0.092 0.000 0.810 289 L CB 0.879 42.971 42.059 0.055 0.000 1.153 289 L HN 0.467 nan 8.230 nan 0.000 0.439 290 M N 5.608 125.298 119.600 0.151 0.000 1.987 290 M HA 0.395 4.875 4.480 0.000 0.000 0.298 290 M C -2.614 173.758 176.300 0.121 0.000 0.892 290 M CA -1.614 53.752 55.300 0.109 0.000 0.885 290 M CB 1.580 34.317 32.600 0.228 0.000 1.469 290 M HN 0.199 nan 8.290 nan 0.000 0.389 291 P HA 0.317 nan 4.420 nan 0.000 0.276 291 P C -1.351 175.957 177.300 0.015 0.000 1.244 291 P CA -0.028 63.137 63.100 0.109 0.000 0.801 291 P CB 0.495 32.222 31.700 0.046 0.000 1.006 292 F N 1.347 121.310 119.950 0.023 0.000 2.427 292 F HA 0.370 4.897 4.527 0.000 0.000 0.348 292 F C 0.767 176.580 175.800 0.020 0.000 1.125 292 F CA -0.142 57.872 58.000 0.023 0.000 0.989 292 F CB 0.960 39.982 39.000 0.036 0.000 1.165 292 F HN 0.126 nan 8.300 nan 0.000 0.442 293 N N 5.344 124.105 118.700 0.102 0.000 2.679 293 N HA 0.249 4.989 4.740 0.000 0.000 0.302 293 N C -1.136 174.410 175.510 0.061 0.000 1.941 293 N CA -0.055 53.040 53.050 0.075 0.000 0.875 293 N CB 1.131 39.637 38.487 0.033 0.000 1.278 293 N HN 0.437 nan 8.380 nan 0.000 0.490 294 L N 0.921 122.201 121.223 0.096 0.000 2.289 294 L HA 0.545 4.885 4.340 0.000 0.000 0.285 294 L C -0.049 176.868 176.870 0.079 0.000 1.049 294 L CA -0.796 54.088 54.840 0.074 0.000 0.804 294 L CB 1.753 43.868 42.059 0.092 0.000 1.195 294 L HN -0.205 nan 8.230 nan 0.000 0.428 295 V N 4.862 124.814 119.914 0.064 0.000 2.444 295 V HA 0.393 4.513 4.120 0.000 0.000 0.294 295 V C -0.250 175.883 176.094 0.064 0.000 1.022 295 V CA -0.375 61.974 62.300 0.081 0.000 0.850 295 V CB 2.117 33.985 31.823 0.076 0.000 0.992 295 V HN 0.462 nan 8.190 nan 0.000 0.426 296 I N 8.549 129.163 120.570 0.075 0.000 2.328 296 I HA 0.421 4.591 4.170 0.000 0.000 0.287 296 I C -2.120 174.037 176.117 0.066 0.000 1.012 296 I CA -1.882 59.451 61.300 0.056 0.000 1.195 296 I CB 1.947 39.974 38.000 0.046 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.136 nan 4.420 nan 0.000 0.274 297 P C 0.636 177.961 177.300 0.042 0.000 1.231 297 P CA -0.222 62.905 63.100 0.045 0.000 0.790 297 P CB 0.811 32.528 31.700 0.028 0.000 0.951 298 T N 1.075 115.655 114.554 0.044 0.000 2.653 298 T HA -0.197 4.153 4.350 0.000 0.000 0.268 298 T C 1.614 176.329 174.700 0.025 0.000 1.035 298 T CA 2.105 64.228 62.100 0.039 0.000 1.154 298 T CB -0.909 67.985 68.868 0.043 0.000 0.862 298 T HN 0.645 nan 8.240 nan 0.000 0.441 299 N N 1.378 120.092 118.700 0.023 0.000 2.443 299 N HA -0.156 4.584 4.740 0.000 0.000 0.184 299 N C 1.397 176.917 175.510 0.017 0.000 1.037 299 N CA 1.017 54.079 53.050 0.020 0.000 0.896 299 N CB -0.214 38.285 38.487 0.019 0.000 0.959 299 N HN 0.510 nan 8.380 nan 0.000 0.442 300 E N 0.194 120.404 120.200 0.016 0.000 2.371 300 E HA 0.152 4.502 4.350 0.000 0.000 0.194 300 E C 0.179 176.780 176.600 0.003 0.000 1.012 300 E CA 0.099 56.506 56.400 0.011 0.000 0.860 300 E CB 0.204 29.912 29.700 0.013 0.000 0.811 300 E HN 0.439 nan 8.360 nan 0.000 0.502 301 I N 2.357 122.926 120.570 -0.001 0.000 2.260 301 I HA -0.025 4.146 4.170 0.000 0.000 0.297 301 I C 1.384 177.473 176.117 -0.045 0.000 1.143 301 I CA -0.050 61.237 61.300 -0.021 0.000 1.271 301 I CB 0.712 38.704 38.000 -0.013 0.000 1.461 301 I HN 0.035 nan 8.210 nan 0.000 0.530 302 T N 1.601 116.114 114.554 -0.068 0.000 3.085 302 T HA 0.004 4.354 4.350 0.000 0.000 0.263 302 T C 0.517 175.057 174.700 -0.267 0.000 1.127 302 T CA 0.268 62.318 62.100 -0.083 0.000 1.103 302 T CB -0.074 68.771 68.868 -0.037 0.000 0.921 302 T HN 0.692 nan 8.240 nan 0.000 0.510 303 Q N -0.582 119.000 119.800 -0.362 0.000 2.522 303 Q HA 0.546 4.886 4.340 0.000 0.000 0.285 303 Q C -3.483 172.390 176.000 -0.212 0.000 0.982 303 Q CA -2.556 52.903 55.803 -0.572 0.000 0.805 303 Q CB 0.809 28.731 28.738 -1.361 0.000 1.457 303 Q HN -0.122 nan 8.270 nan 0.000 0.394 304 P HA -0.026 nan 4.420 nan 0.000 0.261 304 P C -0.586 176.745 177.300 0.051 0.000 1.173 304 P CA 0.230 63.354 63.100 0.040 0.000 0.760 304 P CB 0.250 32.064 31.700 0.190 0.000 0.783 305 I N 3.159 123.751 120.570 0.036 0.000 2.441 305 I HA 0.070 4.240 4.170 0.000 0.000 0.287 305 I C 1.534 177.690 176.117 0.066 0.000 1.049 305 I CA 0.682 62.007 61.300 0.040 0.000 1.381 305 I CB 0.392 38.407 38.000 0.025 0.000 1.409 305 I HN 0.350 nan 8.210 nan 0.000 0.523 306 T N 3.322 117.914 114.554 0.063 0.000 2.955 306 T HA 0.129 4.479 4.350 0.000 0.000 0.251 306 T C 0.445 175.154 174.700 0.015 0.000 1.002 306 T CA 0.291 62.435 62.100 0.073 0.000 0.970 306 T CB 0.355 69.302 68.868 0.132 0.000 1.091 306 T HN 0.807 nan 8.240 nan 0.000 0.495 307 S N 0.101 115.799 115.700 -0.003 0.000 2.588 307 S HA 0.716 5.186 4.470 0.000 0.000 0.269 307 S C -1.488 173.106 174.600 -0.011 0.000 1.157 307 S CA -0.947 57.238 58.200 -0.025 0.000 0.824 307 S CB 1.831 65.018 63.200 -0.021 0.000 1.126 307 S HN 0.271 nan 8.310 nan 0.000 0.464 308 I N 1.242 121.811 120.570 -0.001 0.000 2.545 308 I HA 0.712 4.882 4.170 0.000 0.000 0.292 308 I C -1.310 174.799 176.117 -0.013 0.000 1.040 308 I CA -0.692 60.624 61.300 0.026 0.000 1.068 308 I CB 1.725 39.761 38.000 0.061 0.000 1.251 308 I HN 1.013 nan 8.210 nan 0.000 0.424 309 K N 6.371 126.726 120.400 -0.076 0.000 2.477 309 K HA 0.661 4.981 4.320 0.000 0.000 0.255 309 K C -2.020 174.404 176.600 -0.293 0.000 0.952 309 K CA -0.967 55.151 56.287 -0.281 0.000 0.826 309 K CB 2.433 34.839 32.500 -0.157 0.000 1.331 309 K HN 0.468 nan 8.250 nan 0.000 0.437 310 L N 1.103 121.968 121.223 -0.596 0.000 2.349 310 L HA 0.437 4.777 4.340 0.000 0.000 0.278 310 L C -1.191 175.613 176.870 -0.110 0.000 0.996 310 L CA -0.004 54.657 54.840 -0.299 0.000 0.825 310 L CB 1.770 43.609 42.059 -0.366 0.000 1.243 310 L HN 0.779 nan 8.230 nan 0.000 0.412 311 E N 5.151 125.390 120.200 0.066 0.000 2.204 311 E HA 0.570 4.920 4.350 0.000 0.000 0.276 311 E C -1.136 175.509 176.600 0.074 0.000 0.974 311 E CA -0.603 55.857 56.400 0.100 0.000 0.815 311 E CB 2.319 32.143 29.700 0.207 0.000 1.119 311 E HN 0.542 nan 8.360 nan 0.000 0.393 312 I N 2.298 122.914 120.570 0.076 0.000 2.466 312 I HA 0.259 4.429 4.170 0.000 0.000 0.289 312 I C -0.781 175.348 176.117 0.020 0.000 1.026 312 I CA -1.004 60.312 61.300 0.028 0.000 1.078 312 I CB 1.892 39.920 38.000 0.047 0.000 1.249 312 I HN 0.172 nan 8.210 nan 0.000 0.429 313 V N 4.260 124.160 119.914 -0.023 0.000 2.427 313 V HA 0.492 4.612 4.120 0.000 0.000 0.286 313 V C 0.038 176.118 176.094 -0.023 0.000 1.034 313 V CA -0.398 61.901 62.300 -0.001 0.000 0.893 313 V CB 1.473 33.297 31.823 0.002 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.663 118.242 114.554 0.043 0.000 2.812 314 T HA 0.674 5.024 4.350 0.000 0.000 0.282 314 T C -0.180 174.610 174.700 0.150 0.000 0.990 314 T CA -0.537 61.623 62.100 0.101 0.000 0.960 314 T CB 1.434 70.424 68.868 0.204 0.000 0.948 314 T HN 0.927 nan 8.240 nan 0.000 0.438 315 S N 2.462 118.243 115.700 0.136 0.000 2.588 315 S HA 0.740 5.210 4.470 0.000 0.000 0.275 315 S C -1.295 173.412 174.600 0.178 0.000 1.130 315 S CA -1.158 57.149 58.200 0.178 0.000 0.855 315 S CB 2.241 65.516 63.200 0.124 0.000 1.116 315 S HN 0.547 nan 8.310 nan 0.000 0.472 316 K N 0.493 121.029 120.400 0.226 0.000 2.323 316 K HA 0.498 4.818 4.320 0.000 0.000 0.259 316 K C 0.440 177.064 176.600 0.039 0.000 0.947 316 K CA -0.587 55.758 56.287 0.097 0.000 0.819 316 K CB 1.531 34.037 32.500 0.010 0.000 1.109 316 K HN 0.651 nan 8.250 nan 0.000 0.429 317 S N 1.499 117.211 115.700 0.021 0.000 2.419 317 S HA -0.123 4.347 4.470 0.000 0.000 0.233 317 S C 1.369 175.950 174.600 -0.032 0.000 1.016 317 S CA 1.383 59.587 58.200 0.007 0.000 0.974 317 S CB 0.070 63.277 63.200 0.011 0.000 0.786 317 S HN 0.869 nan 8.310 nan 0.000 0.492 318 G N 0.662 109.417 108.800 -0.076 0.000 2.670 318 G HA2 0.388 4.348 3.960 0.000 0.000 0.219 318 G HA3 0.388 4.348 3.960 0.000 0.000 0.219 318 G C 0.762 175.508 174.900 -0.257 0.000 1.342 318 G CA 0.313 45.338 45.100 -0.124 0.000 0.902 318 G HN 1.031 nan 8.290 nan 0.000 0.553 319 G N -0.118 108.386 108.800 -0.494 0.000 2.473 319 G HA2 -0.159 3.801 3.960 0.000 0.000 0.289 319 G HA3 -0.159 3.801 3.960 0.000 0.000 0.289 319 G C 0.407 174.849 174.900 -0.763 0.000 1.084 319 G CA 0.537 44.882 45.100 -1.259 0.000 1.215 319 G HN 0.524 nan 8.290 nan 0.000 0.527 320 Q N -0.010 119.544 119.800 -0.410 0.000 3.007 320 Q HA 0.621 4.961 4.340 0.000 0.000 0.263 320 Q C 2.277 178.279 176.000 0.003 0.000 1.155 320 Q CA 0.374 56.095 55.803 -0.136 0.000 0.415 320 Q CB -0.155 28.535 28.738 -0.081 0.000 5.520 320 Q HN 0.857 nan 8.270 nan 0.000 0.331 321 A N 0.322 123.165 122.820 0.038 0.000 3.789 321 A HA 0.220 4.540 4.320 0.000 0.000 0.163 321 A C 1.004 178.669 177.584 0.135 0.000 1.580 321 A CA 0.723 52.814 52.037 0.089 0.000 0.919 321 A CB -1.251 17.777 19.000 0.048 0.000 1.117 321 A HN 0.593 nan 8.150 nan 0.000 0.453 322 G N -0.303 108.548 108.800 0.085 0.000 3.064 322 G HA2 0.380 4.340 3.960 0.000 0.000 0.286 322 G HA3 0.380 4.340 3.960 0.000 0.000 0.286 322 G C -0.412 174.532 174.900 0.073 0.000 0.834 322 G CA 0.044 45.195 45.100 0.084 0.000 1.856 322 G HN 0.393 nan 8.290 nan 0.000 0.559 323 D N 0.676 121.141 120.400 0.109 0.000 2.234 323 D HA -0.016 4.624 4.640 0.000 0.000 0.205 323 D C 0.896 177.231 176.300 0.059 0.000 0.962 323 D CA 0.732 54.766 54.000 0.057 0.000 0.855 323 D CB 0.149 40.946 40.800 -0.006 0.000 0.951 323 D HN 0.339 nan 8.370 nan 0.000 0.500 324 Q N -0.533 119.314 119.800 0.078 0.000 3.021 324 Q HA -0.173 4.167 4.340 0.000 0.000 0.089 324 Q C -0.732 175.304 176.000 0.059 0.000 1.598 324 Q CA 0.727 56.552 55.803 0.038 0.000 0.366 324 Q CB -1.147 27.592 28.738 0.001 0.000 0.605 324 Q HN 0.371 nan 8.270 nan 0.000 0.321 325 M N 1.299 120.940 119.600 0.070 0.000 2.253 325 M HA 0.648 5.128 4.480 0.000 0.000 0.314 325 M C -0.066 176.289 176.300 0.092 0.000 1.019 325 M CA -0.716 54.674 55.300 0.150 0.000 0.932 325 M CB 2.324 35.097 32.600 0.288 0.000 1.606 325 M HN 0.544 nan 8.290 nan 0.000 0.430 326 S N 2.453 118.228 115.700 0.125 0.000 2.541 326 S HA 0.882 5.352 4.470 0.000 0.000 0.280 326 S C -1.502 173.238 174.600 0.233 0.000 1.112 326 S CA -0.760 57.470 58.200 0.050 0.000 0.925 326 S CB 1.781 64.961 63.200 -0.033 0.000 1.067 326 S HN 0.971 nan 8.310 nan 0.000 0.479 327 W N 0.188 121.678 121.300 0.316 0.000 3.118 327 W HA 0.722 5.382 4.660 0.000 0.000 0.328 327 W C -1.215 175.438 176.519 0.224 0.000 1.239 327 W CA -0.875 56.621 57.345 0.251 0.000 1.176 327 W CB 1.263 30.888 29.460 0.275 0.000 1.433 327 W HN 0.704 nan 8.180 nan 0.000 0.562 328 S N 1.062 117.119 115.700 0.595 0.000 2.509 328 S HA 0.806 5.276 4.470 0.000 0.000 0.297 328 S C -0.720 174.154 174.600 0.456 0.000 1.118 328 S CA -0.227 58.220 58.200 0.413 0.000 1.074 328 S CB 1.000 64.320 63.200 0.200 0.000 1.038 328 S HN 0.827 nan 8.310 nan 0.000 0.498 329 A N 4.482 127.518 122.820 0.360 0.000 2.414 329 A HA 0.868 5.188 4.320 0.000 0.000 0.306 329 A C -0.605 176.962 177.584 -0.028 0.000 1.054 329 A CA -0.779 51.235 52.037 -0.038 0.000 0.724 329 A CB 1.437 20.386 19.000 -0.085 0.000 1.267 329 A HN 0.743 nan 8.150 nan 0.000 0.418 330 R N 0.799 121.194 120.500 -0.175 0.000 2.651 330 R HA 0.684 5.024 4.340 0.000 0.000 0.278 330 R C -0.570 175.654 176.300 -0.127 0.000 1.010 330 R CA 0.341 56.388 56.100 -0.087 0.000 0.896 330 R CB 2.194 32.465 30.300 -0.047 0.000 1.211 330 R HN 2.076 nan 8.270 nan 0.000 0.456 331 G N 0.904 109.650 108.800 -0.090 0.000 2.333 331 G HA2 0.092 4.053 3.960 0.000 0.000 0.330 331 G HA3 0.092 4.053 3.960 0.000 0.000 0.330 331 G C -1.724 173.106 174.900 -0.117 0.000 1.465 331 G CA -0.633 44.412 45.100 -0.092 0.000 0.996 331 G HN 0.571 nan 8.290 nan 0.000 0.655 332 S N -0.554 115.073 115.700 -0.121 0.000 2.566 332 S HA 0.879 5.349 4.470 0.000 0.000 0.298 332 S C -0.288 174.196 174.600 -0.194 0.000 1.083 332 S CA -0.962 57.139 58.200 -0.166 0.000 0.978 332 S CB 2.093 65.215 63.200 -0.131 0.000 1.073 332 S HN 0.773 nan 8.310 nan 0.000 0.491 333 L N 0.956 122.025 121.223 -0.257 0.000 2.330 333 L HA 0.882 5.222 4.340 0.000 0.000 0.271 333 L C -0.228 176.552 176.870 -0.151 0.000 1.013 333 L CA -1.132 53.550 54.840 -0.264 0.000 0.816 333 L CB 1.758 43.577 42.059 -0.399 0.000 1.287 333 L HN 0.848 nan 8.230 nan 0.000 0.435 334 A N 1.691 124.459 122.820 -0.087 0.000 2.330 334 A HA 0.714 5.034 4.320 0.000 0.000 0.313 334 A C -0.856 176.733 177.584 0.008 0.000 1.124 334 A CA -0.473 51.547 52.037 -0.029 0.000 0.774 334 A CB 1.464 20.453 19.000 -0.018 0.000 1.198 334 A HN 0.373 nan 8.150 nan 0.000 0.465 335 V N 2.908 122.858 119.914 0.059 0.000 2.328 335 V HA 0.382 4.502 4.120 0.000 0.000 0.278 335 V C 0.124 176.266 176.094 0.079 0.000 1.021 335 V CA -0.223 62.133 62.300 0.093 0.000 0.838 335 V CB 1.126 33.041 31.823 0.152 0.000 0.999 335 V HN 0.871 nan 8.190 nan 0.000 0.447 336 T N 7.033 121.574 114.554 -0.021 0.000 2.743 336 T HA 0.475 4.825 4.350 0.000 0.000 0.292 336 T C 0.005 174.557 174.700 -0.247 0.000 0.972 336 T CA -0.137 61.889 62.100 -0.122 0.000 0.967 336 T CB 0.621 69.400 68.868 -0.148 0.000 0.926 336 T HN 0.615 nan 8.240 nan 0.000 0.459 337 I N 1.894 122.373 120.570 -0.152 0.000 2.312 337 I HA 0.395 4.565 4.170 0.000 0.000 0.290 337 I C -0.231 175.803 176.117 -0.138 0.000 1.008 337 I CA -0.812 60.396 61.300 -0.153 0.000 1.226 337 I CB 0.632 38.647 38.000 0.024 0.000 1.371 337 I HN 0.545 nan 8.210 nan 0.000 0.468 338 H N 5.408 124.502 119.070 0.041 0.000 2.964 338 H HA 0.116 4.672 4.556 0.000 0.000 0.328 338 H C 1.492 176.831 175.328 0.018 0.000 1.030 338 H CA 1.090 57.154 56.048 0.025 0.000 1.445 338 H CB 0.790 30.564 29.762 0.019 0.000 1.449 338 H HN 1.024 nan 8.280 nan 0.000 0.581 339 G N 2.700 111.579 108.800 0.133 0.000 2.200 339 G HA2 -0.354 3.606 3.960 0.000 0.000 0.267 339 G HA3 -0.354 3.606 3.960 0.000 0.000 0.267 339 G C 1.549 176.499 174.900 0.084 0.000 0.993 339 G CA 0.842 45.989 45.100 0.079 0.000 0.701 339 G HN 0.870 nan 8.290 nan 0.000 0.524 340 G N 0.084 108.922 108.800 0.064 0.000 2.432 340 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 340 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 340 G C 1.329 176.260 174.900 0.051 0.000 1.135 340 G CA 1.281 46.413 45.100 0.054 0.000 0.767 340 G HN 0.516 nan 8.290 nan 0.000 0.550 341 N N -0.856 117.868 118.700 0.040 0.000 2.336 341 N HA 0.061 4.801 4.740 0.000 0.000 0.189 341 N C -0.295 175.241 175.510 0.043 0.000 1.113 341 N CA -0.478 52.582 53.050 0.017 0.000 0.858 341 N CB -0.112 38.362 38.487 -0.021 0.000 0.970 341 N HN 0.425 nan 8.380 nan 0.000 0.471 342 Y N 2.703 122.984 120.300 -0.031 0.000 2.605 342 Y HA 0.145 4.695 4.550 0.000 0.000 0.336 342 Y C -2.105 173.769 175.900 -0.043 0.000 1.111 342 Y CA -2.037 56.040 58.100 -0.039 0.000 1.422 342 Y CB 0.492 38.921 38.460 -0.052 0.000 1.193 342 Y HN 0.005 nan 8.280 nan 0.000 0.526 343 P HA 0.080 nan 4.420 nan 0.000 0.260 343 P C 0.533 177.751 177.300 -0.136 0.000 1.185 343 P CA 1.941 64.888 63.100 -0.255 0.000 0.763 343 P CB 0.488 31.988 31.700 -0.334 0.000 0.776 344 G N 3.255 112.067 108.800 0.021 0.000 2.313 344 G HA2 -0.297 3.663 3.960 0.000 0.000 0.215 344 G HA3 -0.297 3.663 3.960 0.000 0.000 0.215 344 G C 1.208 176.221 174.900 0.188 0.000 1.023 344 G CA 0.333 45.507 45.100 0.123 0.000 0.626 344 G HN 0.611 nan 8.290 nan 0.000 0.503 345 A N -0.194 122.720 122.820 0.156 0.000 1.930 345 A HA 0.539 4.859 4.320 0.000 0.000 0.217 345 A C 2.193 179.894 177.584 0.195 0.000 1.175 345 A CA 2.043 54.132 52.037 0.085 0.000 0.627 345 A CB -0.199 18.834 19.000 0.055 0.000 0.815 345 A HN 0.970 nan 8.150 nan 0.000 0.443 346 L N -3.742 117.580 121.223 0.165 0.000 3.154 346 L HA 0.206 4.546 4.340 0.000 0.000 0.280 346 L C 2.071 179.067 176.870 0.211 0.000 1.134 346 L CA 0.199 55.134 54.840 0.159 0.000 1.037 346 L CB 0.057 42.192 42.059 0.126 0.000 1.571 346 L HN 0.293 nan 8.230 nan 0.000 0.576 347 R N 1.729 122.322 120.500 0.155 0.000 2.072 347 R HA 0.073 4.413 4.340 0.000 0.000 0.221 347 R C -1.761 174.602 176.300 0.105 0.000 1.166 347 R CA 0.705 56.861 56.100 0.093 0.000 0.917 347 R CB -0.927 29.383 30.300 0.017 0.000 0.815 347 R HN 0.021 nan 8.270 nan 0.000 0.444 348 P HA 0.118 nan 4.420 nan 0.000 0.275 348 P C -1.309 176.103 177.300 0.186 0.000 1.227 348 P CA 0.159 63.305 63.100 0.077 0.000 0.781 348 P CB 1.475 33.199 31.700 0.041 0.000 0.906 349 V N 3.309 123.338 119.914 0.191 0.000 2.588 349 V HA 0.374 4.494 4.120 0.000 0.000 0.304 349 V C 0.069 176.239 176.094 0.127 0.000 1.042 349 V CA -0.298 62.110 62.300 0.180 0.000 0.877 349 V CB 2.217 34.167 31.823 0.212 0.000 0.996 349 V HN 0.463 nan 8.190 nan 0.000 0.425 350 T N 6.124 120.726 114.554 0.080 0.000 2.770 350 T HA 0.625 4.975 4.350 0.000 0.000 0.283 350 T C -0.576 174.157 174.700 0.056 0.000 0.988 350 T CA -0.281 61.875 62.100 0.094 0.000 0.957 350 T CB 0.892 69.838 68.868 0.130 0.000 0.930 350 T HN 0.232 nan 8.240 nan 0.000 0.443 351 L N 4.128 125.356 121.223 0.009 0.000 2.282 351 L HA 0.540 4.880 4.340 0.000 0.000 0.288 351 L C -0.324 176.554 176.870 0.013 0.000 1.033 351 L CA -0.405 54.402 54.840 -0.055 0.000 0.807 351 L CB 1.645 43.639 42.059 -0.108 0.000 1.209 351 L HN 0.384 nan 8.230 nan 0.000 0.423 352 V N 3.424 123.356 119.914 0.029 0.000 2.326 352 V HA 0.748 4.868 4.120 0.000 0.000 0.281 352 V C 0.110 176.282 176.094 0.130 0.000 1.015 352 V CA -0.678 61.688 62.300 0.109 0.000 0.823 352 V CB 1.258 33.210 31.823 0.215 0.000 1.009 352 V HN 0.830 nan 8.190 nan 0.000 0.436 353 A N 5.575 128.467 122.820 0.121 0.000 2.317 353 A HA 0.911 5.231 4.320 0.000 0.000 0.327 353 A C -0.886 176.929 177.584 0.385 0.000 1.178 353 A CA -0.481 51.663 52.037 0.177 0.000 0.817 353 A CB 0.825 19.905 19.000 0.133 0.000 1.189 353 A HN 0.974 nan 8.150 nan 0.000 0.489 354 Y N -0.015 120.480 120.300 0.325 0.000 2.524 354 Y HA 0.795 5.345 4.550 0.000 0.000 0.344 354 Y C -0.294 175.676 175.900 0.116 0.000 1.012 354 Y CA -0.941 57.321 58.100 0.269 0.000 1.068 354 Y CB 1.357 39.912 38.460 0.158 0.000 1.249 354 Y HN 0.850 nan 8.280 nan 0.000 0.468 355 E N 0.731 120.948 120.200 0.027 0.000 2.430 355 E HA 0.563 4.913 4.350 0.000 0.000 0.279 355 E C -0.556 175.997 176.600 -0.078 0.000 1.003 355 E CA -1.291 55.005 56.400 -0.173 0.000 0.801 355 E CB 1.514 30.877 29.700 -0.561 0.000 1.313 355 E HN 0.579 nan 8.360 nan 0.000 0.459 356 R N -0.929 119.537 120.500 -0.057 0.000 3.989 356 R HA -0.103 4.237 4.340 0.000 0.000 0.377 356 R C -0.437 175.878 176.300 0.025 0.000 1.158 356 R CA 0.860 56.943 56.100 -0.028 0.000 1.035 356 R CB -2.819 27.446 30.300 -0.058 0.000 1.557 356 R HN 0.485 nan 8.270 nan 0.000 0.551 357 V N 1.417 121.380 119.914 0.082 0.000 2.614 357 V HA 0.436 4.556 4.120 0.000 0.000 0.291 357 V C 1.452 177.581 176.094 0.058 0.000 1.049 357 V CA -0.048 62.298 62.300 0.077 0.000 1.038 357 V CB 1.527 33.415 31.823 0.107 0.000 0.980 357 V HN 0.364 nan 8.190 nan 0.000 0.481 358 A N 3.891 126.729 122.820 0.031 0.000 2.511 358 A HA 0.318 4.638 4.320 0.000 0.000 0.242 358 A C 0.772 178.375 177.584 0.031 0.000 1.069 358 A CA 0.007 52.059 52.037 0.024 0.000 0.763 358 A CB -0.309 18.699 19.000 0.013 0.000 1.001 358 A HN 0.866 nan 8.150 nan 0.000 0.498 359 T N 1.872 116.445 114.554 0.031 0.000 2.908 359 T HA 0.400 4.750 4.350 0.000 0.000 0.301 359 T C 1.550 176.265 174.700 0.026 0.000 1.019 359 T CA 1.612 63.733 62.100 0.036 0.000 1.152 359 T CB 0.413 69.298 68.868 0.027 0.000 0.966 359 T HN 2.031 nan 8.240 nan 0.000 0.540 360 G N 2.705 111.523 108.800 0.030 0.000 2.175 360 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 360 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 360 G C 0.379 175.285 174.900 0.009 0.000 0.982 360 G CA 0.130 45.241 45.100 0.019 0.000 0.641 360 G HN 1.136 nan 8.290 nan 0.000 0.527 361 S N -0.730 114.972 115.700 0.003 0.000 2.632 361 S HA 0.715 5.185 4.470 0.000 0.000 0.267 361 S C 0.147 174.726 174.600 -0.035 0.000 1.276 361 S CA -0.264 57.927 58.200 -0.014 0.000 0.998 361 S CB 2.490 65.680 63.200 -0.018 0.000 0.953 361 S HN 0.983 nan 8.310 nan 0.000 0.547 362 V N 1.919 121.805 119.914 -0.047 0.000 2.394 362 V HA 0.347 4.467 4.120 0.000 0.000 0.282 362 V C -0.261 175.769 176.094 -0.107 0.000 1.031 362 V CA -0.759 61.503 62.300 -0.064 0.000 0.881 362 V CB 1.300 33.099 31.823 -0.040 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.637 124.448 119.914 -0.172 0.000 2.364 363 V HA 0.302 4.422 4.120 0.000 0.000 0.272 363 V C 0.492 176.503 176.094 -0.139 0.000 1.036 363 V CA -0.082 62.084 62.300 -0.223 0.000 0.880 363 V CB 1.616 33.171 31.823 -0.447 0.000 0.991 363 V HN 0.968 nan 8.190 nan 0.000 0.460 364 T N 5.301 119.809 114.554 -0.076 0.000 2.767 364 T HA 0.523 4.873 4.350 0.000 0.000 0.288 364 T C -0.220 174.489 174.700 0.015 0.000 0.963 364 T CA -0.269 61.817 62.100 -0.022 0.000 1.019 364 T CB 1.398 70.257 68.868 -0.014 0.000 0.923 364 T HN 0.334 nan 8.240 nan 0.000 0.468 365 V N 2.694 122.648 119.914 0.066 0.000 2.459 365 V HA 0.830 4.950 4.120 0.000 0.000 0.295 365 V C -0.072 176.089 176.094 0.112 0.000 1.029 365 V CA -0.811 61.567 62.300 0.130 0.000 0.874 365 V CB 1.378 33.340 31.823 0.232 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.445 126.308 122.820 0.072 0.000 2.398 366 A HA 0.974 5.294 4.320 0.000 0.000 0.301 366 A C -0.166 177.428 177.584 0.016 0.000 1.041 366 A CA -0.011 52.050 52.037 0.040 0.000 0.711 366 A CB 1.902 20.911 19.000 0.016 0.000 1.240 366 A HN 1.212 nan 8.150 nan 0.000 0.420 367 G N -0.331 108.482 108.800 0.022 0.000 2.695 367 G HA2 0.636 4.596 3.960 0.000 0.000 0.290 367 G HA3 0.636 4.596 3.960 0.000 0.000 0.290 367 G C -1.798 173.107 174.900 0.009 0.000 1.410 367 G CA -0.547 44.546 45.100 -0.012 0.000 0.844 367 G HN 1.135 nan 8.290 nan 0.000 0.478 368 V N 0.271 120.177 119.914 -0.013 0.000 2.638 368 V HA 0.692 4.812 4.120 0.000 0.000 0.306 368 V C -0.264 175.814 176.094 -0.028 0.000 1.052 368 V CA -0.710 61.593 62.300 0.004 0.000 0.885 368 V CB 1.917 33.741 31.823 0.001 0.000 0.999 368 V HN 0.761 nan 8.190 nan 0.000 0.424 369 S N 4.105 119.799 115.700 -0.010 0.000 2.482 369 S HA 0.581 5.051 4.470 0.000 0.000 0.303 369 S C -0.651 173.765 174.600 -0.306 0.000 1.091 369 S CA -0.814 57.284 58.200 -0.170 0.000 1.057 369 S CB 1.189 64.360 63.200 -0.049 0.000 1.031 369 S HN 0.753 nan 8.310 nan 0.000 0.485 370 N N 1.735 120.128 118.700 -0.511 0.000 2.321 370 N HA 0.607 5.347 4.740 0.000 0.000 0.299 370 N C -1.496 173.657 175.510 -0.594 0.000 1.048 370 N CA -0.227 52.610 53.050 -0.355 0.000 0.836 370 N CB 1.397 39.806 38.487 -0.131 0.000 1.269 370 N HN 0.401 nan 8.380 nan 0.000 0.486 371 F N 0.021 119.992 119.950 0.034 0.000 2.576 371 F HA 0.336 4.863 4.527 0.000 0.000 0.313 371 F C 0.507 176.316 175.800 0.014 0.000 1.078 371 F CA -0.877 57.125 58.000 0.004 0.000 0.921 371 F CB 1.886 40.861 39.000 -0.043 0.000 1.232 371 F HN 0.150 nan 8.300 nan 0.000 0.459 372 E N 2.915 123.222 120.200 0.179 0.000 2.227 372 E HA 0.611 4.961 4.350 0.000 0.000 0.282 372 E C -1.152 175.584 176.600 0.227 0.000 1.015 372 E CA -0.436 56.054 56.400 0.150 0.000 0.823 372 E CB 1.576 31.180 29.700 -0.160 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.608 124.989 121.223 0.263 0.000 2.388 373 L HA 0.560 4.900 4.340 0.000 0.000 0.264 373 L C -0.657 176.389 176.870 0.293 0.000 0.998 373 L CA -0.832 54.101 54.840 0.156 0.000 0.817 373 L CB 1.862 43.689 42.059 -0.386 0.000 1.338 373 L HN 0.428 nan 8.230 nan 0.000 0.414 374 I N 3.276 124.047 120.570 0.336 0.000 2.362 374 I HA 0.357 4.527 4.170 0.000 0.000 0.289 374 I C -2.230 174.121 176.117 0.390 0.000 0.994 374 I CA -2.010 59.462 61.300 0.288 0.000 1.158 374 I CB 1.997 40.109 38.000 0.186 0.000 1.315 374 I HN 0.244 nan 8.210 nan 0.000 0.451 375 P HA 0.060 nan 4.420 nan 0.000 0.272 375 P C -0.975 176.360 177.300 0.059 0.000 1.223 375 P CA -0.346 62.846 63.100 0.154 0.000 0.784 375 P CB 0.280 32.011 31.700 0.052 0.000 0.923 376 N N 2.468 121.135 118.700 -0.056 0.000 2.354 376 N HA 0.072 4.812 4.740 0.000 0.000 0.246 376 N C -1.965 173.526 175.510 -0.032 0.000 1.285 376 N CA -1.588 51.440 53.050 -0.036 0.000 0.925 376 N CB -1.359 37.083 38.487 -0.075 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.164 nan 4.420 nan 0.000 0.216 377 P C 0.989 178.273 177.300 -0.027 0.000 1.150 377 P CA 1.530 64.622 63.100 -0.014 0.000 0.843 377 P CB 0.197 31.892 31.700 -0.010 0.000 0.787 378 E N -0.952 119.223 120.200 -0.041 0.000 2.072 378 E HA -0.106 4.244 4.350 0.000 0.000 0.190 378 E C 1.768 178.336 176.600 -0.053 0.000 0.982 378 E CA 0.741 57.115 56.400 -0.043 0.000 0.803 378 E CB -1.049 28.623 29.700 -0.046 0.000 0.755 378 E HN 0.013 nan 8.360 nan 0.000 0.453 379 L N -0.011 121.163 121.223 -0.081 0.000 2.156 379 L HA 0.105 4.445 4.340 0.000 0.000 0.208 379 L C 2.034 178.873 176.870 -0.052 0.000 1.095 379 L CA 1.509 56.293 54.840 -0.094 0.000 0.770 379 L CB -0.678 41.266 42.059 -0.193 0.000 0.914 379 L HN 0.181 nan 8.230 nan 0.000 0.439 380 A N -0.914 121.884 122.820 -0.036 0.000 2.131 380 A HA -0.222 4.098 4.320 0.000 0.000 0.220 380 A C 2.176 179.753 177.584 -0.012 0.000 1.158 380 A CA 1.499 53.530 52.037 -0.011 0.000 0.665 380 A CB -0.522 18.476 19.000 -0.003 0.000 0.795 380 A HN 0.475 nan 8.150 nan 0.000 0.460 381 K N -0.769 119.620 120.400 -0.017 0.000 2.366 381 K HA 0.014 4.334 4.320 0.000 0.000 0.198 381 K C 0.370 176.964 176.600 -0.011 0.000 1.044 381 K CA 0.853 57.132 56.287 -0.014 0.000 0.973 381 K CB 0.056 32.547 32.500 -0.015 0.000 0.767 381 K HN 0.386 nan 8.250 nan 0.000 0.475 382 N N -0.173 118.520 118.700 -0.011 0.000 2.118 382 N HA 0.046 4.786 4.740 0.000 0.000 0.226 382 N C -1.015 174.497 175.510 0.003 0.000 1.305 382 N CA -0.049 52.998 53.050 -0.005 0.000 0.890 382 N CB 1.072 39.554 38.487 -0.008 0.000 1.118 382 N HN -0.018 nan 8.380 nan 0.000 0.511 383 L N 2.524 123.751 121.223 0.007 0.000 2.324 383 L HA 0.437 4.777 4.340 0.000 0.000 0.274 383 L C -0.301 176.581 176.870 0.020 0.000 1.012 383 L CA -0.562 54.294 54.840 0.027 0.000 0.859 383 L CB 1.175 43.263 42.059 0.048 0.000 1.224 383 L HN -0.274 nan 8.230 nan 0.000 0.429 384 V N 4.096 124.017 119.914 0.012 0.000 2.585 384 V HA 0.221 4.341 4.120 0.000 0.000 0.296 384 V C 0.859 176.943 176.094 -0.017 0.000 1.035 384 V CA 0.049 62.345 62.300 -0.007 0.000 1.084 384 V CB 1.191 33.010 31.823 -0.008 0.000 0.953 384 V HN 0.906 nan 8.190 nan 0.000 0.483 385 T N 2.513 117.036 114.554 -0.050 0.000 2.912 385 T HA 0.810 5.160 4.350 0.000 0.000 0.288 385 T C -0.759 173.841 174.700 -0.166 0.000 1.030 385 T CA -0.909 61.133 62.100 -0.096 0.000 1.020 385 T CB 2.291 71.104 68.868 -0.091 0.000 1.056 385 T HN 0.680 nan 8.240 nan 0.000 0.480 386 E N 0.186 120.239 120.200 -0.245 0.000 2.408 386 E HA 0.362 4.712 4.350 0.000 0.000 0.275 386 E C -1.277 175.120 176.600 -0.338 0.000 0.935 386 E CA -0.981 55.269 56.400 -0.250 0.000 0.775 386 E CB 1.831 31.452 29.700 -0.132 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.497 120.758 120.300 -0.065 0.000 2.480 387 Y HA 0.237 4.787 4.550 0.000 0.000 0.338 387 Y C 1.422 177.322 175.900 0.000 0.000 1.220 387 Y CA 0.184 58.287 58.100 0.005 0.000 1.430 387 Y CB 0.530 39.007 38.460 0.029 0.000 1.311 387 Y HN 0.604 nan 8.280 nan 0.000 0.575 388 G N 2.760 111.749 108.800 0.314 0.000 2.559 388 G HA2 0.078 4.038 3.960 0.000 0.000 0.235 388 G HA3 0.078 4.038 3.960 0.000 0.000 0.235 388 G C -0.229 174.789 174.900 0.197 0.000 1.266 388 G CA -0.890 44.366 45.100 0.260 0.000 0.847 388 G HN 0.435 nan 8.290 nan 0.000 0.583 389 R N -0.145 120.446 120.500 0.151 0.000 2.538 389 R HA -0.012 4.328 4.340 0.000 0.000 0.282 389 R C -0.337 176.071 176.300 0.180 0.000 1.009 389 R CA -0.433 55.751 56.100 0.140 0.000 1.063 389 R CB 0.009 30.364 30.300 0.092 0.000 0.945 389 R HN 0.382 nan 8.270 nan 0.000 0.414 390 F N 4.855 124.825 119.950 0.034 0.000 2.421 390 F HA 0.165 4.692 4.527 0.000 0.000 0.358 390 F C -0.336 175.472 175.800 0.013 0.000 1.115 390 F CA -1.377 56.633 58.000 0.017 0.000 1.160 390 F CB 0.462 39.466 39.000 0.007 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.097 128.183 120.400 -0.523 0.000 2.686 391 D HA 0.319 4.959 4.640 0.000 0.000 0.249 391 D C -3.294 172.592 176.300 -0.691 0.000 1.260 391 D CA -2.030 51.555 54.000 -0.691 0.000 0.910 391 D CB 1.741 42.362 40.800 -0.298 0.000 1.323 391 D HN 0.217 nan 8.370 nan 0.000 0.561 392 P HA 0.287 nan 4.420 nan 0.000 0.275 392 P C 1.012 178.204 177.300 -0.180 0.000 1.228 392 P CA 0.447 63.312 63.100 -0.391 0.000 0.786 392 P CB 1.100 32.658 31.700 -0.237 0.000 0.927 393 G N 1.482 110.245 108.800 -0.060 0.000 2.205 393 G HA2 -0.354 3.606 3.960 0.000 0.000 0.261 393 G HA3 -0.354 3.606 3.960 0.000 0.000 0.261 393 G C 1.121 176.045 174.900 0.041 0.000 0.980 393 G CA 0.707 45.809 45.100 0.003 0.000 0.632 393 G HN 0.736 nan 8.290 nan 0.000 0.533 394 A N -0.485 122.328 122.820 -0.011 0.000 1.877 394 A HA 0.194 4.514 4.320 0.000 0.000 0.216 394 A C 2.273 179.924 177.584 0.111 0.000 1.186 394 A CA 2.843 54.911 52.037 0.051 0.000 0.620 394 A CB -0.368 18.628 19.000 -0.008 0.000 0.822 394 A HN 1.158 nan 8.150 nan 0.000 0.443 395 M N 0.810 120.425 119.600 0.026 0.000 2.132 395 M HA -0.074 4.406 4.480 0.000 0.000 0.263 395 M C 1.545 177.895 176.300 0.084 0.000 1.065 395 M CA 1.730 57.038 55.300 0.014 0.000 1.122 395 M CB -0.939 31.636 32.600 -0.042 0.000 1.365 395 M HN 0.511 nan 8.290 nan 0.000 0.411 396 N N -1.298 117.456 118.700 0.091 0.000 2.166 396 N HA -0.219 4.521 4.740 0.000 0.000 0.186 396 N C 1.732 177.320 175.510 0.130 0.000 1.019 396 N CA 1.619 54.728 53.050 0.097 0.000 0.856 396 N CB -0.408 38.132 38.487 0.088 0.000 0.993 396 N HN 0.428 nan 8.380 nan 0.000 0.426 397 Y N 2.335 122.668 120.300 0.054 0.000 2.200 397 Y HA -0.160 4.390 4.550 0.000 0.000 0.290 397 Y C 2.529 178.487 175.900 0.097 0.000 1.137 397 Y CA 1.407 59.550 58.100 0.071 0.000 1.163 397 Y CB -0.470 38.033 38.460 0.072 0.000 0.988 397 Y HN -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.204 114.889 114.554 0.218 0.000 2.708 398 T HA -0.204 4.146 4.350 0.000 0.000 0.266 398 T C 1.806 176.570 174.700 0.106 0.000 1.037 398 T CA 1.922 64.140 62.100 0.197 0.000 1.146 398 T CB -0.205 68.854 68.868 0.319 0.000 0.865 398 T HN 0.264 nan 8.240 nan 0.000 0.435 399 K N 0.388 120.845 120.400 0.095 0.000 2.057 399 K HA -0.026 4.294 4.320 0.000 0.000 0.207 399 K C 2.205 178.808 176.600 0.004 0.000 1.049 399 K CA 0.884 57.209 56.287 0.063 0.000 0.931 399 K CB -0.362 32.176 32.500 0.062 0.000 0.714 399 K HN 0.137 nan 8.250 nan 0.000 0.440 400 L N 1.343 122.541 121.223 -0.043 0.000 1.994 400 L HA -0.184 4.156 4.340 0.000 0.000 0.208 400 L C 1.912 178.707 176.870 -0.125 0.000 1.071 400 L CA 1.591 56.375 54.840 -0.094 0.000 0.745 400 L CB -0.399 41.570 42.059 -0.150 0.000 0.892 400 L HN 0.085 nan 8.230 nan 0.000 0.431 401 I N -0.271 120.179 120.570 -0.199 0.000 2.118 401 I HA -0.325 3.845 4.170 0.000 0.000 0.241 401 I C 2.605 178.689 176.117 -0.056 0.000 1.070 401 I CA 1.689 62.897 61.300 -0.154 0.000 1.327 401 I CB -1.281 36.620 38.000 -0.165 0.000 1.034 401 I HN 0.328 nan 8.210 nan 0.000 0.405 402 L N -0.018 121.192 121.223 -0.022 0.000 2.093 402 L HA -0.180 4.160 4.340 0.000 0.000 0.208 402 L C 2.698 179.557 176.870 -0.019 0.000 1.085 402 L CA 1.383 56.220 54.840 -0.005 0.000 0.755 402 L CB -0.602 41.474 42.059 0.028 0.000 0.904 402 L HN 0.274 nan 8.230 nan 0.000 0.435 403 S N -0.197 115.491 115.700 -0.020 0.000 2.400 403 S HA -0.166 4.304 4.470 0.000 0.000 0.232 403 S C 1.528 176.114 174.600 -0.025 0.000 1.025 403 S CA 1.215 59.402 58.200 -0.021 0.000 0.993 403 S CB -0.073 63.117 63.200 -0.018 0.000 0.808 403 S HN 0.400 nan 8.310 nan 0.000 0.478 404 E N 0.644 120.827 120.200 -0.029 0.000 2.499 404 E HA 0.156 4.506 4.350 0.000 0.000 0.199 404 E C 1.541 178.128 176.600 -0.021 0.000 1.016 404 E CA -0.268 56.119 56.400 -0.022 0.000 0.933 404 E CB -0.018 29.671 29.700 -0.018 0.000 1.050 404 E HN 0.504 nan 8.360 nan 0.000 0.462 405 R N 1.465 121.946 120.500 -0.031 0.000 2.112 405 R HA -0.200 4.140 4.340 0.000 0.000 0.242 405 R C 0.902 177.166 176.300 -0.061 0.000 1.137 405 R CA 1.879 57.953 56.100 -0.043 0.000 0.944 405 R CB 0.103 30.371 30.300 -0.054 0.000 0.857 405 R HN 0.087 nan 8.270 nan 0.000 0.435 406 D N -0.277 120.087 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 0.000 0.000 0.201 406 D C 2.025 178.292 176.300 -0.055 0.000 0.972 406 D CA 1.414 55.370 54.000 -0.072 0.000 0.835 406 D CB -0.221 40.540 40.800 -0.065 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.790 121.272 120.500 -0.030 0.000 2.148 407 R HA 0.017 4.357 4.340 0.000 0.000 0.223 407 R C 1.999 178.303 176.300 0.007 0.000 1.088 407 R CA 0.780 56.873 56.100 -0.012 0.000 0.985 407 R CB -0.431 29.869 30.300 -0.000 0.000 0.880 407 R HN 0.146 nan 8.270 nan 0.000 0.451 408 L N 0.352 121.585 121.223 0.017 0.000 2.446 408 L HA 0.276 4.616 4.340 0.000 0.000 0.219 408 L C 0.920 177.815 176.870 0.043 0.000 1.116 408 L CA 0.511 55.394 54.840 0.072 0.000 0.844 408 L CB -0.004 42.120 42.059 0.108 0.000 0.970 408 L HN 0.626 nan 8.230 nan 0.000 0.457 409 G N 1.551 110.316 108.800 -0.058 0.000 2.272 409 G HA2 -0.288 3.672 3.960 0.000 0.000 0.280 409 G HA3 -0.288 3.672 3.960 0.000 0.000 0.280 409 G C 0.043 174.749 174.900 -0.324 0.000 1.067 409 G CA -0.191 44.806 45.100 -0.171 0.000 0.902 409 G HN 0.304 nan 8.290 nan 0.000 0.500 410 I N 0.781 121.202 120.570 -0.248 0.000 2.294 410 I HA 0.207 4.377 4.170 0.000 0.000 0.295 410 I C 0.926 176.819 176.117 -0.373 0.000 1.098 410 I CA -0.011 61.135 61.300 -0.257 0.000 1.277 410 I CB 0.426 38.380 38.000 -0.076 0.000 1.434 410 I HN 0.086 nan 8.210 nan 0.000 0.498 411 K N 3.376 123.283 120.400 -0.822 0.000 2.087 411 K HA 0.334 4.654 4.320 0.000 0.000 0.255 411 K C 1.153 177.511 176.600 -0.404 0.000 0.988 411 K CA -0.458 55.306 56.287 -0.871 0.000 0.915 411 K CB 1.234 32.777 32.500 -1.595 0.000 1.043 411 K HN 0.563 nan 8.250 nan 0.000 0.457 412 T N -3.121 111.272 114.554 -0.269 0.000 3.051 412 T HA 0.046 4.396 4.350 0.000 0.000 0.255 412 T C 0.683 175.355 174.700 -0.047 0.000 1.085 412 T CA -0.110 61.942 62.100 -0.080 0.000 1.109 412 T CB -0.133 68.696 68.868 -0.065 0.000 0.921 412 T HN 0.369 nan 8.240 nan 0.000 0.488 413 V N -1.691 118.119 119.914 -0.174 0.000 2.525 413 V HA 0.808 4.928 4.120 0.000 0.000 0.299 413 V C -1.802 174.202 176.094 -0.150 0.000 1.034 413 V CA -1.761 60.502 62.300 -0.062 0.000 0.863 413 V CB 0.876 32.675 31.823 -0.040 0.000 0.999 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.643 124.897 121.300 -0.076 0.000 2.761 414 W HA 0.734 5.394 4.660 0.000 0.000 0.340 414 W C -2.698 173.819 176.519 -0.003 0.000 1.072 414 W CA -2.509 54.817 57.345 -0.033 0.000 1.215 414 W CB 1.807 31.266 29.460 -0.002 0.000 1.420 414 W HN 0.345 nan 8.180 nan 0.000 0.519 415 P HA 0.069 nan 4.420 nan 0.000 0.271 415 P C 0.840 178.290 177.300 0.251 0.000 1.226 415 P CA 0.387 63.608 63.100 0.202 0.000 0.765 415 P CB 0.819 32.613 31.700 0.157 0.000 0.835 416 T N 2.772 117.431 114.554 0.176 0.000 2.699 416 T HA -0.233 4.117 4.350 0.000 0.000 0.268 416 T C 1.770 176.573 174.700 0.172 0.000 1.036 416 T CA 1.768 63.963 62.100 0.158 0.000 1.147 416 T CB -0.352 68.573 68.868 0.096 0.000 0.862 416 T HN 0.433 nan 8.240 nan 0.000 0.446 417 R N 1.469 122.053 120.500 0.141 0.000 2.091 417 R HA -0.100 4.240 4.340 0.000 0.000 0.238 417 R C 2.117 178.503 176.300 0.143 0.000 1.136 417 R CA 1.854 58.024 56.100 0.118 0.000 0.959 417 R CB -0.389 29.968 30.300 0.095 0.000 0.856 417 R HN 0.474 nan 8.270 nan 0.000 0.437 418 E N -1.187 119.138 120.200 0.208 0.000 2.152 418 E HA -0.202 4.148 4.350 0.000 0.000 0.192 418 E C 1.572 178.355 176.600 0.305 0.000 0.983 418 E CA 1.135 57.701 56.400 0.276 0.000 0.818 418 E CB -0.200 29.707 29.700 0.344 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.525 121.866 120.300 0.069 0.000 2.220 419 Y HA -0.176 4.374 4.550 0.000 0.000 0.291 419 Y C 2.352 178.149 175.900 -0.171 0.000 1.129 419 Y CA 1.616 59.461 58.100 -0.424 0.000 1.161 419 Y CB -0.330 37.731 38.460 -0.666 0.000 0.997 419 Y HN -0.112 nan 8.280 nan 0.000 0.522 420 T N 0.430 114.943 114.554 -0.067 0.000 2.684 420 T HA -0.188 4.162 4.350 0.000 0.000 0.267 420 T C 1.328 175.977 174.700 -0.085 0.000 1.036 420 T CA 1.762 63.805 62.100 -0.095 0.000 1.148 420 T CB -0.396 68.482 68.868 0.016 0.000 0.863 420 T HN 0.355 nan 8.240 nan 0.000 0.436 421 D N 0.445 120.850 120.400 0.009 0.000 2.123 421 D HA -0.068 4.572 4.640 0.000 0.000 0.196 421 D C 1.665 178.011 176.300 0.077 0.000 0.992 421 D CA 0.740 54.773 54.000 0.055 0.000 0.833 421 D CB -0.507 40.351 40.800 0.095 0.000 0.954 421 D HN 0.365 nan 8.370 nan 0.000 0.455 422 F N 1.794 121.686 119.950 -0.096 0.000 2.095 422 F HA -0.164 4.363 4.527 0.000 0.000 0.298 422 F C 2.290 178.045 175.800 -0.075 0.000 1.104 422 F CA 1.465 59.422 58.000 -0.073 0.000 1.232 422 F CB -0.087 38.785 39.000 -0.213 0.000 0.987 422 F HN -0.203 nan 8.300 nan 0.000 0.475 423 R N 0.352 120.637 120.500 -0.359 0.000 2.096 423 R HA -0.240 4.100 4.340 0.000 0.000 0.240 423 R C 2.361 178.535 176.300 -0.210 0.000 1.139 423 R CA 2.161 58.056 56.100 -0.342 0.000 0.952 423 R CB -0.781 29.312 30.300 -0.345 0.000 0.854 423 R HN 0.637 nan 8.270 nan 0.000 0.436 424 E N -0.623 119.494 120.200 -0.139 0.000 2.285 424 E HA -0.202 4.148 4.350 0.000 0.000 0.194 424 E C 1.642 178.191 176.600 -0.085 0.000 0.997 424 E CA 0.779 57.117 56.400 -0.104 0.000 0.845 424 E CB -0.289 29.376 29.700 -0.058 0.000 0.782 424 E HN 0.415 nan 8.360 nan 0.000 0.491 425 Y N 1.069 121.275 120.300 -0.157 0.000 2.130 425 Y HA -0.026 4.524 4.550 0.000 0.000 0.287 425 Y C 1.101 176.916 175.900 -0.141 0.000 1.124 425 Y CA 0.946 58.978 58.100 -0.113 0.000 1.118 425 Y CB -0.236 38.199 38.460 -0.043 0.000 0.994 425 Y HN 0.093 nan 8.280 nan 0.000 0.497 426 F N 0.475 120.255 119.950 -0.282 0.000 2.521 426 F HA 0.012 4.539 4.527 0.000 0.000 0.298 426 F C 1.001 176.624 175.800 -0.295 0.000 1.289 426 F CA 0.140 57.918 58.000 -0.370 0.000 1.315 426 F CB 0.207 38.789 39.000 -0.697 0.000 1.257 426 F HN 0.124 nan 8.300 nan 0.000 0.541 427 M N 2.164 120.796 119.600 -1.613 0.000 2.212 427 M HA -0.256 4.224 4.480 0.000 0.000 0.193 427 M C 0.239 176.224 176.300 -0.525 0.000 0.493 427 M CA 0.755 55.424 55.300 -1.051 0.000 0.427 427 M CB -1.122 31.083 32.600 -0.659 0.000 1.120 427 M HN 0.810 nan 8.290 nan 0.000 0.929 428 E N -1.073 118.851 120.200 -0.459 0.000 2.474 428 E HA 0.190 4.540 4.350 0.000 0.000 0.195 428 E C -0.055 176.398 176.600 -0.245 0.000 1.039 428 E CA 0.119 56.338 56.400 -0.302 0.000 0.881 428 E CB 0.709 30.239 29.700 -0.284 0.000 0.970 428 E HN 0.400 nan 8.360 nan 0.000 0.486 429 V N 0.936 120.686 119.914 -0.274 0.000 2.483 429 V HA 0.567 4.687 4.120 0.000 0.000 0.297 429 V C -0.684 175.292 176.094 -0.198 0.000 1.027 429 V CA -0.606 61.572 62.300 -0.203 0.000 0.855 429 V CB 1.622 33.344 31.823 -0.168 0.000 0.995 429 V HN 0.068 nan 8.190 nan 0.000 0.424 430 A N 3.056 125.787 122.820 -0.148 0.000 2.839 430 A HA 0.474 4.794 4.320 0.000 0.000 0.303 430 A C -0.396 177.134 177.584 -0.090 0.000 1.181 430 A CA -0.307 51.659 52.037 -0.118 0.000 0.808 430 A CB 0.576 19.504 19.000 -0.119 0.000 1.391 430 A HN 0.633 nan 8.150 nan 0.000 0.433 431 D N 2.397 122.749 120.400 -0.080 0.000 2.615 431 D HA 0.407 5.047 4.640 0.000 0.000 0.236 431 D C 1.159 177.427 176.300 -0.052 0.000 1.233 431 D CA 0.291 54.251 54.000 -0.068 0.000 0.829 431 D CB -0.493 40.265 40.800 -0.070 0.000 1.024 431 D HN 0.649 nan 8.370 nan 0.000 0.490 432 L N -1.492 119.702 121.223 -0.048 0.000 5.895 432 L HA -0.354 3.986 4.340 0.000 0.000 0.053 432 L C 0.622 177.472 176.870 -0.034 0.000 2.741 432 L CA 1.256 56.074 54.840 -0.037 0.000 1.500 432 L CB -1.646 40.393 42.059 -0.033 0.000 2.928 432 L HN 0.286 nan 8.230 nan 0.000 1.023 433 N N -0.392 118.290 118.700 -0.030 0.000 3.112 433 N HA 0.646 5.386 4.740 0.000 0.000 0.231 433 N C -0.385 175.110 175.510 -0.025 0.000 1.385 433 N CA 0.447 53.480 53.050 -0.028 0.000 0.790 433 N CB 0.487 38.961 38.487 -0.023 0.000 1.563 433 N HN 1.149 nan 8.380 nan 0.000 0.613 434 S N 1.055 116.739 115.700 -0.027 0.000 2.560 434 S HA 0.510 4.980 4.470 0.000 0.000 0.276 434 S C -1.247 173.341 174.600 -0.019 0.000 1.350 434 S CA -0.534 57.652 58.200 -0.024 0.000 1.024 434 S CB -0.714 62.470 63.200 -0.026 0.000 0.864 434 S HN 0.587 nan 8.310 nan 0.000 0.536 435 P HA -0.096 nan 4.420 nan 0.000 0.041 435 P C 0.185 177.477 177.300 -0.012 0.000 0.590 435 P CA 0.561 63.653 63.100 -0.014 0.000 1.019 435 P CB -0.683 31.009 31.700 -0.013 0.000 1.776 436 L N 0.517 121.733 121.223 -0.012 0.000 2.127 436 L HA -0.102 4.238 4.340 0.000 0.000 0.203 436 L C 2.672 179.537 176.870 -0.008 0.000 1.080 436 L CA 1.623 56.457 54.840 -0.010 0.000 0.768 436 L CB -1.006 41.047 42.059 -0.010 0.000 0.924 436 L HN 0.070 nan 8.230 nan 0.000 0.444 437 K N 0.927 121.321 120.400 -0.010 0.000 2.362 437 K HA -0.106 4.214 4.320 0.000 0.000 0.202 437 K C 1.515 178.111 176.600 -0.008 0.000 1.045 437 K CA 1.928 58.210 56.287 -0.009 0.000 0.936 437 K CB -0.803 31.690 32.500 -0.010 0.000 0.747 437 K HN 0.512 nan 8.250 nan 0.000 0.467 438 I N -1.844 118.721 120.570 -0.008 0.000 4.439 438 I HA 0.222 4.392 4.170 0.000 0.000 0.331 438 I C 2.411 178.524 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.714 61.300 -0.008 0.000 1.193 438 I CB 0.758 38.753 38.000 -0.008 0.000 1.221 438 I HN 0.216 nan 8.210 nan 0.000 0.429 439 A N 1.621 124.437 122.820 -0.007 0.000 1.862 439 A HA 0.032 4.352 4.320 0.000 0.000 0.217 439 A C 1.434 179.015 177.584 -0.005 0.000 1.251 439 A CA 2.132 54.165 52.037 -0.006 0.000 0.673 439 A CB -1.161 17.835 19.000 -0.005 0.000 0.843 439 A HN 0.415 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925