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_Q DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPGXX 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 -0.144 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 9 Q N 0.460 120.166 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 0.000 0.000 0.269 9 Q C 0.653 176.582 176.000 -0.118 0.000 1.030 9 Q CA 0.686 56.419 55.803 -0.116 0.000 0.788 9 Q CB 0.735 29.416 28.738 -0.095 0.000 1.266 9 Q HN 2.519 nan 8.270 nan 0.000 0.438 10 Q N 0.467 120.205 119.800 -0.103 0.000 2.363 10 Q HA -0.279 4.061 4.340 0.000 0.000 0.409 10 Q C 1.130 177.053 176.000 -0.129 0.000 1.118 10 Q CA 4.477 60.218 55.803 -0.103 0.000 0.966 10 Q CB -2.621 26.068 28.738 -0.082 0.000 1.795 10 Q HN 2.312 nan 8.270 nan 0.000 0.941 11 I N -6.420 114.079 120.570 -0.120 0.000 3.519 11 I HA 0.729 4.899 4.170 0.000 0.000 0.314 11 I C -0.603 175.444 176.117 -0.116 0.000 1.273 11 I CA -0.590 60.632 61.300 -0.131 0.000 1.108 11 I CB 1.739 39.668 38.000 -0.118 0.000 1.212 11 I HN 0.653 nan 8.210 nan 0.000 0.420 12 V N 1.733 121.608 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 0.000 0.000 0.287 12 V C -1.867 174.262 176.094 0.057 0.000 1.017 12 V CA -1.095 61.186 62.300 -0.032 0.000 0.844 12 V CB 1.087 32.868 31.823 -0.069 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.583 178.958 177.300 0.124 0.000 1.158 13 P CA 1.688 64.836 63.100 0.080 0.000 0.895 13 P CB 0.115 31.864 31.700 0.081 0.000 0.792 14 F N -0.344 119.623 119.950 0.028 0.000 2.102 14 F HA -0.165 4.362 4.527 0.000 0.000 0.298 14 F C 2.046 177.887 175.800 0.068 0.000 1.105 14 F CA 1.297 59.315 58.000 0.030 0.000 1.239 14 F CB -0.734 38.259 39.000 -0.011 0.000 0.991 14 F HN -0.234 nan 8.300 nan 0.000 0.474 15 I N 0.652 121.227 120.570 0.008 0.000 2.208 15 I HA -0.283 3.887 4.170 0.000 0.000 0.245 15 I C 2.584 178.689 176.117 -0.020 0.000 1.097 15 I CA 1.427 62.717 61.300 -0.016 0.000 1.363 15 I CB -1.310 36.846 38.000 0.259 0.000 1.051 15 I HN 0.212 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 -0.198 4.142 4.340 0.000 0.000 0.237 16 R C 2.596 178.911 176.300 0.025 0.000 1.137 16 R CA 2.140 58.333 56.100 0.156 0.000 0.951 16 R CB -0.236 30.133 30.300 0.115 0.000 0.851 16 R HN 0.228 nan 8.270 nan 0.000 0.434 17 S N 0.070 115.728 115.700 -0.071 0.000 2.368 17 S HA -0.117 4.353 4.470 0.000 0.000 0.224 17 S C 1.845 176.332 174.600 -0.189 0.000 1.029 17 S CA 1.133 59.269 58.200 -0.106 0.000 0.988 17 S CB -0.248 62.899 63.200 -0.088 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.303 122.293 121.223 -0.389 0.000 2.027 18 L HA 0.135 4.475 4.340 0.000 0.000 0.206 18 L C 1.965 178.758 176.870 -0.127 0.000 1.074 18 L CA 1.802 56.431 54.840 -0.352 0.000 0.745 18 L CB -0.449 41.275 42.059 -0.559 0.000 0.898 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -1.528 119.641 121.223 -0.090 0.000 2.375 19 L HA 0.082 4.422 4.340 0.000 0.000 0.215 19 L C 0.679 177.632 176.870 0.138 0.000 1.108 19 L CA 0.318 55.173 54.840 0.025 0.000 0.830 19 L CB 0.002 41.991 42.059 -0.116 0.000 0.959 19 L HN 0.238 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 4.719 4.480 0.000 0.000 0.206 20 M C -1.978 174.361 176.300 0.067 0.000 0.976 20 M CA -1.279 54.103 55.300 0.136 0.000 0.648 20 M CB 1.593 34.267 32.600 0.124 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.157 nan 4.420 nan 0.000 0.219 21 P C 1.358 178.658 177.300 0.001 0.000 1.146 21 P CA 1.471 64.563 63.100 -0.013 0.000 0.808 21 P CB -0.177 31.494 31.700 -0.048 0.000 0.779 22 T N -5.741 108.826 114.554 0.022 0.000 3.098 22 T HA -0.077 4.273 4.350 0.000 0.000 0.266 22 T C 1.698 176.413 174.700 0.024 0.000 1.145 22 T CA 1.374 63.488 62.100 0.022 0.000 1.092 22 T CB -1.423 67.465 68.868 0.034 0.000 0.908 22 T HN 0.016 nan 8.240 nan 0.000 0.526 23 T N 0.852 115.422 114.554 0.027 0.000 3.023 23 T HA 0.453 4.803 4.350 0.000 0.000 0.266 23 T C 0.930 175.644 174.700 0.023 0.000 1.093 23 T CA 1.051 63.166 62.100 0.024 0.000 1.129 23 T CB -0.661 68.225 68.868 0.030 0.000 0.899 23 T HN 0.989 nan 8.240 nan 0.000 0.491 24 G N 1.333 110.146 108.800 0.022 0.000 2.408 24 G HA2 0.075 4.035 3.960 0.000 0.000 0.682 24 G HA3 0.075 4.035 3.960 0.000 0.000 0.682 24 G C -3.333 171.585 174.900 0.031 0.000 1.303 24 G CA -0.958 44.160 45.100 0.030 0.000 0.966 24 G HN 0.075 nan 8.290 nan 0.000 0.560 25 P HA 0.720 nan 4.420 nan 0.000 0.283 25 P C -0.459 176.902 177.300 0.102 0.000 1.271 25 P CA 0.184 63.325 63.100 0.068 0.000 0.841 25 P CB 1.986 33.739 31.700 0.088 0.000 1.122 26 A N 0.517 123.428 122.820 0.152 0.000 2.572 26 A HA 0.602 4.922 4.320 0.000 0.000 0.295 26 A C -0.524 177.215 177.584 0.258 0.000 1.072 26 A CA -0.541 51.618 52.037 0.203 0.000 0.691 26 A CB 0.728 19.864 19.000 0.227 0.000 1.291 26 A HN 0.382 nan 8.150 nan 0.000 0.404 27 S N 0.780 116.616 115.700 0.228 0.000 2.549 27 S HA 0.364 4.834 4.470 0.000 0.000 0.279 27 S C 0.292 174.872 174.600 -0.032 0.000 1.321 27 S CA -0.161 58.144 58.200 0.174 0.000 1.054 27 S CB 0.078 63.446 63.200 0.280 0.000 0.899 27 S HN 0.462 nan 8.310 nan 0.000 0.497 28 I N 4.923 125.359 120.570 -0.223 0.000 2.598 28 I HA 0.108 4.278 4.170 0.000 0.000 0.284 28 I C -1.563 174.217 176.117 -0.562 0.000 1.140 28 I CA -1.420 59.451 61.300 -0.715 0.000 1.420 28 I CB 0.397 38.082 38.000 -0.525 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.109 nan 4.420 nan 0.000 0.214 29 P C -1.048 176.088 177.300 -0.273 0.000 1.807 29 P CA -0.264 62.622 63.100 -0.355 0.000 0.921 29 P CB -0.406 31.108 31.700 -0.310 0.000 1.835 30 D N -1.018 119.235 120.400 -0.246 0.000 2.541 30 D HA 0.121 4.761 4.640 0.000 0.000 0.276 30 D C 0.449 176.729 176.300 -0.033 0.000 1.190 30 D CA -0.369 53.556 54.000 -0.125 0.000 1.095 30 D CB -0.010 40.728 40.800 -0.103 0.000 1.173 30 D HN -0.176 nan 8.370 nan 0.000 0.604 31 D N -1.342 119.059 120.400 0.001 0.000 2.349 31 D HA 0.040 4.680 4.640 0.000 0.000 0.214 31 D C -0.010 176.318 176.300 0.046 0.000 1.063 31 D CA 0.321 54.334 54.000 0.022 0.000 0.847 31 D CB 0.079 40.891 40.800 0.019 0.000 0.933 31 D HN 0.273 nan 8.370 nan 0.000 0.513 32 T N 2.122 116.713 114.554 0.062 0.000 4.104 32 T HA 0.180 4.530 4.350 0.000 0.000 0.285 32 T C 0.892 175.695 174.700 0.171 0.000 1.346 32 T CA -0.095 62.076 62.100 0.118 0.000 1.158 32 T CB -0.329 68.619 68.868 0.134 0.000 1.290 32 T HN 0.032 nan 8.240 nan 0.000 0.975 33 L N 3.414 124.728 121.223 0.153 0.000 2.404 33 L HA 0.257 4.597 4.340 0.000 0.000 0.277 33 L C 0.769 177.847 176.870 0.347 0.000 1.184 33 L CA 0.045 55.026 54.840 0.235 0.000 1.013 33 L CB -0.077 42.035 42.059 0.088 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.945 123.337 120.200 0.321 0.000 2.227 34 E HA 0.317 4.667 4.350 0.000 0.000 0.268 34 E C -0.611 176.009 176.600 0.034 0.000 0.907 34 E CA -0.958 55.501 56.400 0.097 0.000 0.786 34 E CB 2.445 31.982 29.700 -0.272 0.000 1.191 34 E HN 0.319 nan 8.360 nan 0.000 0.411 35 K N 3.459 123.629 120.400 -0.383 0.000 2.412 35 K HA 0.049 4.369 4.320 0.000 0.000 0.284 35 K C 0.226 176.743 176.600 -0.139 0.000 1.046 35 K CA 0.314 56.316 56.287 -0.474 0.000 0.999 35 K CB 0.138 32.309 32.500 -0.549 0.000 0.941 35 K HN 0.523 nan 8.250 nan 0.000 0.474 36 H N -0.224 118.783 119.070 -0.105 0.000 2.959 36 H HA 0.485 5.041 4.556 0.000 0.000 0.296 36 H C -1.074 174.285 175.328 0.053 0.000 1.421 36 H CA -0.800 55.260 56.048 0.019 0.000 1.206 36 H CB 1.933 31.799 29.762 0.173 0.000 1.891 36 H HN 0.401 nan 8.280 nan 0.000 0.573 37 T N 0.595 115.264 114.554 0.192 0.000 2.906 37 T HA 0.541 4.891 4.350 0.000 0.000 0.295 37 T C -0.896 173.944 174.700 0.233 0.000 1.061 37 T CA -0.738 61.436 62.100 0.123 0.000 1.000 37 T CB 1.114 70.060 68.868 0.130 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.498 124.827 121.223 0.177 0.000 2.307 38 L HA 0.742 5.082 4.340 0.000 0.000 0.284 38 L C 0.027 176.977 176.870 0.135 0.000 1.023 38 L CA -0.746 54.207 54.840 0.188 0.000 0.810 38 L CB 1.593 43.759 42.059 0.179 0.000 1.231 38 L HN 0.507 nan 8.230 nan 0.000 0.423 39 R N 0.898 121.483 120.500 0.142 0.000 2.771 39 R HA 0.601 4.941 4.340 0.000 0.000 0.274 39 R C -1.298 175.116 176.300 0.190 0.000 0.987 39 R CA -0.472 55.712 56.100 0.140 0.000 0.908 39 R CB 2.499 32.849 30.300 0.084 0.000 1.213 39 R HN 0.520 nan 8.270 nan 0.000 0.468 40 S N 1.178 116.973 115.700 0.159 0.000 2.472 40 S HA 0.500 4.970 4.470 0.000 0.000 0.303 40 S C -1.116 173.598 174.600 0.190 0.000 1.099 40 S CA -0.849 57.442 58.200 0.152 0.000 1.077 40 S CB 1.479 64.732 63.200 0.089 0.000 1.031 40 S HN 0.316 nan 8.310 nan 0.000 0.487 41 E N 2.341 122.685 120.200 0.239 0.000 2.224 41 E HA 0.337 4.687 4.350 0.000 0.000 0.265 41 E C -0.403 176.295 176.600 0.163 0.000 0.878 41 E CA -0.495 56.037 56.400 0.220 0.000 0.759 41 E CB 2.026 31.911 29.700 0.309 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 0.502 4.852 4.350 0.000 0.000 0.287 42 T C 0.314 175.067 174.700 0.089 0.000 1.014 42 T CA -0.610 61.536 62.100 0.077 0.000 1.049 42 T CB 0.963 69.856 68.868 0.041 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.338 117.091 115.700 0.087 0.000 2.561 43 S HA 0.668 5.138 4.470 0.000 0.000 0.303 43 S C -0.310 174.314 174.600 0.040 0.000 1.110 43 S CA -0.922 57.349 58.200 0.119 0.000 1.034 43 S CB 1.403 64.754 63.200 0.252 0.000 1.010 43 S HN 1.068 nan 8.310 nan 0.000 0.482 44 T N 1.169 115.623 114.554 -0.167 0.000 2.881 44 T HA 0.717 5.067 4.350 0.000 0.000 0.291 44 T C -1.312 173.082 174.700 -0.509 0.000 0.990 44 T CA -0.522 61.461 62.100 -0.195 0.000 0.976 44 T CB 0.427 69.205 68.868 -0.149 0.000 0.970 44 T HN 0.421 nan 8.240 nan 0.000 0.438 45 Y N 1.456 121.761 120.300 0.008 0.000 2.492 45 Y HA 0.551 5.102 4.550 0.000 0.000 0.346 45 Y C -0.181 175.695 175.900 -0.041 0.000 0.997 45 Y CA -1.231 56.860 58.100 -0.016 0.000 1.025 45 Y CB 2.336 40.781 38.460 -0.024 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.945 122.699 118.700 0.091 0.000 2.621 46 N HA 0.383 5.124 4.740 0.000 0.000 0.237 46 N C -1.306 174.209 175.510 0.008 0.000 0.997 46 N CA -0.296 52.768 53.050 0.024 0.000 0.918 46 N CB 0.933 39.421 38.487 0.002 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.956 122.142 121.223 -0.063 0.000 2.350 47 L HA 0.430 4.770 4.340 0.000 0.000 0.275 47 L C 0.715 177.544 176.870 -0.069 0.000 1.099 47 L CA -0.406 54.362 54.840 -0.121 0.000 0.808 47 L CB 0.817 42.614 42.059 -0.436 0.000 1.149 47 L HN 0.173 nan 8.230 nan 0.000 0.442 48 T N 1.822 116.388 114.554 0.019 0.000 2.799 48 T HA 0.339 4.689 4.350 0.000 0.000 0.286 48 T C 0.083 174.850 174.700 0.110 0.000 0.973 48 T CA -0.484 61.642 62.100 0.042 0.000 1.035 48 T CB 1.667 70.561 68.868 0.044 0.000 0.932 48 T HN 0.204 nan 8.240 nan 0.000 0.469 49 V N 3.476 123.438 119.914 0.080 0.000 2.555 49 V HA 0.460 4.580 4.120 0.000 0.000 0.286 49 V C 1.218 177.391 176.094 0.132 0.000 1.044 49 V CA -0.263 62.130 62.300 0.155 0.000 1.026 49 V CB 1.020 32.907 31.823 0.107 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.365 111.258 108.800 0.155 0.000 2.535 50 G HA2 0.173 4.133 3.960 0.000 0.000 0.282 50 G HA3 0.173 4.133 3.960 0.000 0.000 0.282 50 G C 0.543 175.479 174.900 0.060 0.000 1.350 50 G CA -0.233 44.919 45.100 0.086 0.000 1.039 50 G HN 0.673 nan 8.290 nan 0.000 0.509 51 D N -0.504 119.914 120.400 0.030 0.000 2.158 51 D HA -0.152 4.488 4.640 0.000 0.000 0.197 51 D C 2.798 179.103 176.300 0.007 0.000 0.995 51 D CA 2.110 56.118 54.000 0.014 0.000 0.846 51 D CB -0.268 40.533 40.800 0.001 0.000 0.941 51 D HN 0.450 nan 8.370 nan 0.000 0.456 52 T N -3.586 110.968 114.554 -0.001 0.000 3.088 52 T HA 0.223 4.573 4.350 0.000 0.000 0.259 52 T C 1.667 176.365 174.700 -0.003 0.000 1.122 52 T CA 0.853 62.940 62.100 -0.021 0.000 1.095 52 T CB 0.149 68.982 68.868 -0.058 0.000 0.930 52 T HN 0.220 nan 8.240 nan 0.000 0.508 53 G N 0.225 109.052 108.800 0.046 0.000 2.160 53 G HA2 -0.189 3.771 3.960 0.000 0.000 0.251 53 G HA3 -0.189 3.771 3.960 0.000 0.000 0.251 53 G C 0.043 175.028 174.900 0.141 0.000 1.008 53 G CA 0.290 45.447 45.100 0.096 0.000 0.724 53 G HN 1.001 nan 8.290 nan 0.000 0.514 54 S N -1.327 114.410 115.700 0.062 0.000 2.546 54 S HA 0.929 5.399 4.470 0.000 0.000 0.274 54 S C 0.101 174.487 174.600 -0.356 0.000 1.121 54 S CA 0.718 58.825 58.200 -0.156 0.000 0.887 54 S CB 1.847 64.951 63.200 -0.159 0.000 1.094 54 S HN 1.933 nan 8.310 nan 0.000 0.474 55 G N 1.107 109.371 108.800 -0.895 0.000 2.488 55 G HA2 0.563 4.523 3.960 0.000 0.000 0.301 55 G HA3 0.563 4.523 3.960 0.000 0.000 0.301 55 G C -2.475 172.167 174.900 -0.431 0.000 1.339 55 G CA -0.524 44.214 45.100 -0.602 0.000 0.803 55 G HN 1.004 nan 8.290 nan 0.000 0.482 56 L N -0.127 121.128 121.223 0.053 0.000 2.464 56 L HA 0.779 5.119 4.340 0.000 0.000 0.266 56 L C -1.212 175.769 176.870 0.186 0.000 0.965 56 L CA -0.651 54.251 54.840 0.104 0.000 0.833 56 L CB 1.791 43.846 42.059 -0.007 0.000 1.296 56 L HN 0.518 nan 8.230 nan 0.000 0.405 57 I N 5.358 125.972 120.570 0.074 0.000 2.354 57 I HA 0.443 4.613 4.170 0.000 0.000 0.292 57 I C -0.649 175.228 176.117 -0.399 0.000 0.989 57 I CA -0.908 60.285 61.300 -0.177 0.000 1.188 57 I CB 1.841 39.626 38.000 -0.358 0.000 1.342 57 I HN 0.255 nan 8.210 nan 0.000 0.457 58 V N 7.300 126.935 119.914 -0.466 0.000 2.350 58 V HA 0.361 4.481 4.120 0.000 0.000 0.276 58 V C -0.270 175.342 176.094 -0.803 0.000 1.028 58 V CA -0.324 61.641 62.300 -0.558 0.000 0.860 58 V CB 0.806 32.323 31.823 -0.512 0.000 0.990 58 V HN 0.404 nan 8.190 nan 0.000 0.453 59 F N 4.097 123.773 119.950 -0.457 0.000 2.458 59 F HA 0.583 5.110 4.527 0.000 0.000 0.330 59 F C -0.013 175.466 175.800 -0.535 0.000 1.082 59 F CA -0.626 57.124 58.000 -0.416 0.000 0.995 59 F CB 1.749 40.658 39.000 -0.152 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.608 123.731 119.950 0.289 0.000 2.334 60 F HA 0.280 4.808 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 -1.815 56.326 58.000 0.235 0.000 1.237 60 F CB 0.252 39.384 39.000 0.221 0.000 1.525 60 F HN 0.268 nan 8.300 nan 0.000 0.528 61 P HA -0.132 nan 4.420 nan 0.000 0.219 61 P C 1.385 178.790 177.300 0.175 0.000 1.146 61 P CA 1.241 64.434 63.100 0.155 0.000 0.808 61 P CB 0.318 32.063 31.700 0.075 0.000 0.779 62 G N -1.682 107.254 108.800 0.227 0.000 3.337 62 G HA2 0.049 4.009 3.960 0.000 0.000 0.246 62 G HA3 0.049 4.009 3.960 0.000 0.000 0.246 62 G C -0.171 174.884 174.900 0.258 0.000 1.131 62 G CA -0.389 44.823 45.100 0.187 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.168 123.252 119.950 0.223 0.000 2.571 63 F HA 0.288 4.815 4.527 0.000 0.000 0.384 63 F C -1.598 174.351 175.800 0.250 0.000 1.058 63 F CA -2.454 55.679 58.000 0.222 0.000 1.200 63 F CB 1.113 40.248 39.000 0.225 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.319 nan 4.420 nan 0.000 0.238 64 P C -0.052 177.181 177.300 -0.111 0.000 1.794 64 P CA 0.359 63.407 63.100 -0.086 0.000 1.088 64 P CB 0.236 31.803 31.700 -0.221 0.000 1.923 65 G N 0.435 109.429 108.800 0.325 0.000 2.368 65 G HA2 0.001 3.961 3.960 0.000 0.000 0.269 65 G HA3 0.001 3.961 3.960 0.000 0.000 0.269 65 G C 0.222 175.379 174.900 0.430 0.000 1.291 65 G CA -0.350 44.904 45.100 0.257 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.420 115.460 115.700 0.300 0.000 2.593 66 S HA 0.294 4.764 4.470 0.000 0.000 0.217 66 S C 0.930 175.619 174.600 0.147 0.000 0.966 66 S CA 0.068 58.385 58.200 0.194 0.000 0.914 66 S CB -0.257 63.007 63.200 0.106 0.000 0.776 66 S HN 0.348 nan 8.310 nan 0.000 0.523 67 I N 1.316 121.865 120.570 -0.036 0.000 2.337 67 I HA 0.147 4.317 4.170 0.000 0.000 0.291 67 I C 0.832 176.924 176.117 -0.040 0.000 1.046 67 I CA -0.127 61.001 61.300 -0.286 0.000 1.324 67 I CB 1.449 38.908 38.000 -0.901 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.319 125.333 119.914 0.167 0.000 2.922 68 V HA 0.437 4.557 4.120 0.000 0.000 0.242 68 V C 0.940 177.271 176.094 0.396 0.000 1.094 68 V CA 1.052 63.541 62.300 0.314 0.000 1.106 68 V CB 0.422 32.431 31.823 0.310 0.000 0.799 68 V HN 0.960 nan 8.190 nan 0.000 0.474 69 G N -1.118 107.830 108.800 0.246 0.000 2.348 69 G HA2 0.661 4.621 3.960 0.000 0.000 0.296 69 G HA3 0.661 4.621 3.960 0.000 0.000 0.296 69 G C -1.842 173.027 174.900 -0.050 0.000 1.258 69 G CA 0.152 45.241 45.100 -0.019 0.000 0.868 69 G HN 0.650 nan 8.290 nan 0.000 0.488 70 A N -0.615 122.073 122.820 -0.219 0.000 2.549 70 A HA 0.792 5.112 4.320 0.000 0.000 0.297 70 A C -1.278 176.133 177.584 -0.289 0.000 1.061 70 A CA -0.448 51.491 52.037 -0.165 0.000 0.690 70 A CB 1.551 20.564 19.000 0.020 0.000 1.287 70 A HN 1.196 nan 8.150 nan 0.000 0.402 71 H N 1.225 119.995 119.070 -0.499 0.000 2.466 71 H HA 0.643 5.199 4.556 0.000 0.000 0.338 71 H C -1.799 173.229 175.328 -0.500 0.000 1.091 71 H CA -0.282 55.532 56.048 -0.390 0.000 1.207 71 H CB 0.901 30.483 29.762 -0.299 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.120 122.204 120.300 -0.361 0.000 2.425 72 Y HA 0.171 4.721 4.550 0.000 0.000 0.344 72 Y C 0.462 176.191 175.900 -0.285 0.000 0.969 72 Y CA -0.825 57.144 58.100 -0.219 0.000 1.052 72 Y CB 2.135 40.661 38.460 0.109 0.000 1.215 72 Y HN 0.581 nan 8.280 nan 0.000 0.451 73 T N 0.552 115.058 114.554 -0.080 0.000 2.922 73 T HA 0.571 4.921 4.350 0.000 0.000 0.285 73 T C -0.760 173.981 174.700 0.069 0.000 1.005 73 T CA -0.756 61.341 62.100 -0.005 0.000 1.061 73 T CB 1.396 70.254 68.868 -0.016 0.000 1.007 73 T HN 0.460 nan 8.240 nan 0.000 0.502 74 L N 1.862 123.050 121.223 -0.058 0.000 2.334 74 L HA 0.446 4.786 4.340 0.000 0.000 0.277 74 L C -0.055 176.715 176.870 -0.166 0.000 1.075 74 L CA -0.030 54.652 54.840 -0.263 0.000 0.804 74 L CB 1.145 42.987 42.059 -0.361 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.438 75 Q N 2.357 122.045 119.800 -0.187 0.000 2.297 75 Q HA 0.357 4.697 4.340 0.000 0.000 0.269 75 Q C 0.920 176.853 176.000 -0.112 0.000 1.051 75 Q CA -0.178 55.559 55.803 -0.110 0.000 0.869 75 Q CB 1.454 30.146 28.738 -0.077 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.652 110.407 108.800 -0.075 0.000 2.556 76 G HA2 -0.342 3.618 3.960 0.000 0.000 0.220 76 G HA3 -0.342 3.618 3.960 0.000 0.000 0.220 76 G C 0.884 175.738 174.900 -0.076 0.000 1.156 76 G CA 1.434 46.494 45.100 -0.066 0.000 0.766 76 G HN 0.845 nan 8.290 nan 0.000 0.583 77 N N 0.813 119.467 118.700 -0.077 0.000 2.515 77 N HA 0.132 4.872 4.740 0.000 0.000 0.191 77 N C 1.555 177.003 175.510 -0.103 0.000 1.182 77 N CA 1.019 54.022 53.050 -0.078 0.000 0.879 77 N CB 0.058 38.506 38.487 -0.064 0.000 0.984 77 N HN 0.587 nan 8.380 nan 0.000 0.453 78 G N 0.417 109.133 108.800 -0.140 0.000 2.176 78 G HA2 -0.255 3.705 3.960 0.000 0.000 0.253 78 G HA3 -0.255 3.705 3.960 0.000 0.000 0.253 78 G C -0.213 174.535 174.900 -0.254 0.000 0.979 78 G CA -0.193 44.794 45.100 -0.189 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.139 118.434 118.700 -0.212 0.000 2.515 79 N HA 0.554 5.294 4.740 0.000 0.000 0.279 79 N C -0.081 175.273 175.510 -0.261 0.000 1.164 79 N CA -0.257 52.674 53.050 -0.199 0.000 0.982 79 N CB 0.445 38.871 38.487 -0.102 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.285 120.517 120.300 -0.113 0.000 2.301 80 Y HA 0.240 4.790 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 0.097 58.180 58.100 -0.029 0.000 1.323 80 Y CB 1.018 39.435 38.460 -0.071 0.000 1.266 80 Y HN 0.194 nan 8.280 nan 0.000 0.527 81 K N 3.273 123.861 120.400 0.313 0.000 2.471 81 K HA 0.254 4.575 4.320 0.000 0.000 0.252 81 K C -1.436 175.371 176.600 0.345 0.000 0.938 81 K CA -0.802 55.647 56.287 0.269 0.000 0.796 81 K CB 0.900 33.473 32.500 0.122 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.825 123.921 119.950 0.242 0.000 2.607 82 F HA -0.029 4.498 4.527 0.000 0.000 0.374 82 F C 0.883 176.618 175.800 -0.109 0.000 1.104 82 F CA 0.687 58.681 58.000 -0.009 0.000 1.296 82 F CB 0.802 39.822 39.000 0.033 0.000 1.085 82 F HN 0.819 nan 8.300 nan 0.000 0.584 83 D N 2.316 122.121 120.400 -0.992 0.000 2.805 83 D HA 0.108 4.748 4.640 0.000 0.000 0.271 83 D C -0.620 174.996 176.300 -1.140 0.000 1.166 83 D CA 0.914 54.453 54.000 -0.768 0.000 1.004 83 D CB 0.219 40.758 40.800 -0.435 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.869 118.164 119.800 -1.279 0.000 2.578 84 Q HA 0.323 4.663 4.340 0.000 0.000 0.284 84 Q C -1.091 174.647 176.000 -0.438 0.000 0.960 84 Q CA -1.037 54.279 55.803 -0.812 0.000 0.809 84 Q CB 1.111 29.649 28.738 -0.333 0.000 1.462 84 Q HN -0.046 nan 8.270 nan 0.000 0.392 85 M N 1.810 121.400 119.600 -0.017 0.000 2.243 85 M HA 0.353 4.833 4.480 0.000 0.000 0.341 85 M C -0.520 175.651 176.300 -0.215 0.000 1.130 85 M CA -0.008 55.305 55.300 0.021 0.000 1.162 85 M CB -0.001 32.665 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.698 125.771 121.223 -0.250 0.000 2.272 86 L HA 0.552 4.892 4.340 0.000 0.000 0.289 86 L C -0.445 176.418 176.870 -0.012 0.000 1.032 86 L CA -0.373 54.189 54.840 -0.464 0.000 0.810 86 L CB 0.656 42.482 42.059 -0.388 0.000 1.205 86 L HN 0.563 nan 8.230 nan 0.000 0.422 87 L N 1.286 122.650 121.223 0.234 0.000 2.279 87 L HA 0.569 4.909 4.340 0.000 0.000 0.262 87 L C 0.520 177.595 176.870 0.342 0.000 1.019 87 L CA -0.799 54.207 54.840 0.277 0.000 0.823 87 L CB 1.925 44.120 42.059 0.226 0.000 1.358 87 L HN 0.384 nan 8.230 nan 0.000 0.432 88 T N 0.278 114.979 114.554 0.245 0.000 2.903 88 T HA 0.090 4.440 4.350 0.000 0.000 0.314 88 T C 1.142 175.934 174.700 0.153 0.000 1.078 88 T CA 0.517 62.745 62.100 0.214 0.000 1.114 88 T CB 1.401 70.392 68.868 0.205 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.691 125.578 122.820 0.111 0.000 1.908 89 A HA -0.072 4.248 4.320 0.000 0.000 0.218 89 A C 1.031 178.652 177.584 0.062 0.000 1.181 89 A CA 1.466 53.536 52.037 0.055 0.000 0.627 89 A CB -0.370 18.655 19.000 0.041 0.000 0.818 89 A HN 0.852 nan 8.150 nan 0.000 0.445 90 Q N -1.521 118.327 119.800 0.080 0.000 2.433 90 Q HA 0.492 4.832 4.340 0.000 0.000 0.279 90 Q C -1.212 174.834 176.000 0.076 0.000 1.105 90 Q CA -0.980 54.867 55.803 0.072 0.000 0.815 90 Q CB 0.783 29.563 28.738 0.069 0.000 1.403 90 Q HN 0.138 nan 8.270 nan 0.000 0.435 91 N N 1.616 120.355 118.700 0.064 0.000 2.415 91 N HA 0.129 4.870 4.740 0.000 0.000 0.250 91 N C 0.482 176.029 175.510 0.061 0.000 1.127 91 N CA -0.007 53.078 53.050 0.059 0.000 0.945 91 N CB 0.315 38.832 38.487 0.049 0.000 1.196 91 N HN 0.766 nan 8.380 nan 0.000 0.499 92 L N 4.485 125.740 121.223 0.053 0.000 2.043 92 L HA -0.123 4.218 4.340 0.000 0.000 0.212 92 L C -0.666 176.271 176.870 0.112 0.000 1.075 92 L CA 1.260 56.152 54.840 0.087 0.000 0.752 92 L CB -1.064 40.939 42.059 -0.093 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.130 nan 4.420 nan 0.000 0.228 93 P C 1.090 178.391 177.300 0.002 0.000 1.151 93 P CA 1.262 64.376 63.100 0.023 0.000 0.770 93 P CB -0.019 31.687 31.700 0.010 0.000 0.786 94 A N -1.287 121.535 122.820 0.005 0.000 2.119 94 A HA 0.006 4.326 4.320 0.000 0.000 0.216 94 A C 2.007 179.544 177.584 -0.077 0.000 1.152 94 A CA 1.535 53.557 52.037 -0.025 0.000 0.708 94 A CB -0.549 18.445 19.000 -0.011 0.000 0.805 94 A HN 0.141 nan 8.150 nan 0.000 0.460 95 S N -2.785 112.843 115.700 -0.120 0.000 2.631 95 S HA 0.338 4.808 4.470 0.000 0.000 0.246 95 S C -0.419 173.824 174.600 -0.596 0.000 1.068 95 S CA -0.244 57.733 58.200 -0.371 0.000 0.995 95 S CB 0.150 63.057 63.200 -0.488 0.000 0.944 95 S HN 0.496 nan 8.310 nan 0.000 0.529 96 Y N 1.047 121.334 120.300 -0.022 0.000 2.536 96 Y HA 0.522 5.073 4.550 0.000 0.000 0.347 96 Y C 0.712 176.584 175.900 -0.046 0.000 1.000 96 Y CA -1.076 57.018 58.100 -0.010 0.000 1.051 96 Y CB 1.050 39.508 38.460 -0.003 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N -0.019 118.750 118.700 0.115 0.000 2.407 97 N HA 0.085 4.825 4.740 0.000 0.000 0.182 97 N C -1.155 174.155 175.510 -0.333 0.000 1.079 97 N CA 0.523 53.497 53.050 -0.126 0.000 0.882 97 N CB 0.448 38.854 38.487 -0.135 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.024 119.353 120.300 0.128 0.000 2.545 98 Y HA 0.547 5.097 4.550 0.000 0.000 0.348 98 Y C -0.161 175.868 175.900 0.214 0.000 1.002 98 Y CA -1.157 57.038 58.100 0.159 0.000 1.039 98 Y CB 2.210 40.773 38.460 0.173 0.000 1.271 98 Y HN -0.109 nan 8.280 nan 0.000 0.467 99 C N 2.440 121.951 119.300 0.352 0.000 3.239 99 C HA 0.847 5.307 4.460 0.000 0.000 0.329 99 C C -1.797 173.172 174.990 -0.036 0.000 1.252 99 C CA -0.717 58.384 59.018 0.138 0.000 1.323 99 C CB 1.816 29.547 27.740 -0.015 0.000 1.663 99 C HN 1.031 nan 8.230 nan 0.000 0.487 100 R N 2.675 123.134 120.500 -0.068 0.000 2.548 100 R HA 0.663 5.003 4.340 0.000 0.000 0.280 100 R C -1.739 174.615 176.300 0.090 0.000 1.061 100 R CA -0.650 55.372 56.100 -0.130 0.000 0.915 100 R CB 1.687 31.653 30.300 -0.556 0.000 1.210 100 R HN 0.818 nan 8.270 nan 0.000 0.442 101 L N 4.697 125.994 121.223 0.122 0.000 2.319 101 L HA 0.226 4.566 4.340 0.000 0.000 0.280 101 L C 0.150 177.040 176.870 0.035 0.000 1.099 101 L CA 0.389 55.257 54.840 0.047 0.000 0.828 101 L CB 1.607 43.706 42.059 0.067 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.555 122.447 119.914 -0.036 0.000 2.492 102 V HA 0.255 4.375 4.120 0.000 0.000 0.241 102 V C 0.565 176.719 176.094 0.100 0.000 1.041 102 V CA 1.133 63.498 62.300 0.108 0.000 1.057 102 V CB 0.032 31.912 31.823 0.096 0.000 0.711 102 V HN 0.942 nan 8.190 nan 0.000 0.468 103 S N -0.306 115.359 115.700 -0.059 0.000 2.597 103 S HA 0.716 5.186 4.470 0.000 0.000 0.274 103 S C -0.944 173.575 174.600 -0.135 0.000 1.132 103 S CA -0.917 57.239 58.200 -0.074 0.000 0.835 103 S CB 2.614 65.754 63.200 -0.100 0.000 1.092 103 S HN 0.487 nan 8.310 nan 0.000 0.457 104 R N 0.439 120.877 120.500 -0.102 0.000 2.579 104 R HA 0.667 5.007 4.340 0.000 0.000 0.260 104 R C -1.697 174.533 176.300 -0.117 0.000 1.103 104 R CA 0.005 56.037 56.100 -0.114 0.000 0.942 104 R CB 1.695 31.934 30.300 -0.101 0.000 1.251 104 R HN 1.312 nan 8.270 nan 0.000 0.450 105 S N 3.991 119.610 115.700 -0.134 0.000 2.549 105 S HA 0.780 5.250 4.470 0.000 0.000 0.280 105 S C -1.169 173.305 174.600 -0.211 0.000 1.109 105 S CA -0.797 57.286 58.200 -0.194 0.000 0.905 105 S CB 1.756 64.826 63.200 -0.215 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 1.263 122.312 121.223 -0.291 0.000 2.409 106 L HA 0.702 5.042 4.340 0.000 0.000 0.262 106 L C -0.428 176.308 176.870 -0.223 0.000 0.992 106 L CA -0.469 54.199 54.840 -0.287 0.000 0.817 106 L CB 2.780 44.491 42.059 -0.579 0.000 1.350 106 L HN 0.778 nan 8.230 nan 0.000 0.411 107 T N 1.411 115.899 114.554 -0.110 0.000 2.824 107 T HA 0.649 4.999 4.350 0.000 0.000 0.282 107 T C -0.923 173.792 174.700 0.025 0.000 0.993 107 T CA -0.388 61.682 62.100 -0.049 0.000 0.967 107 T CB 1.704 70.551 68.868 -0.035 0.000 0.960 107 T HN 0.208 nan 8.240 nan 0.000 0.441 108 V N 5.801 125.747 119.914 0.053 0.000 2.407 108 V HA 0.726 4.846 4.120 0.000 0.000 0.291 108 V C -0.044 176.077 176.094 0.044 0.000 1.018 108 V CA -0.846 61.502 62.300 0.080 0.000 0.842 108 V CB 1.186 33.101 31.823 0.155 0.000 0.996 108 V HN 0.912 nan 8.190 nan 0.000 0.426 109 R N 2.367 122.873 120.500 0.011 0.000 2.733 109 R HA 0.698 5.038 4.340 0.000 0.000 0.272 109 R C -0.844 175.435 176.300 -0.036 0.000 1.029 109 R CA -0.643 55.456 56.100 -0.001 0.000 0.888 109 R CB 1.801 32.110 30.300 0.015 0.000 1.251 109 R HN 0.589 nan 8.270 nan 0.000 0.464 110 S N 0.020 115.698 115.700 -0.036 0.000 2.586 110 S HA 0.341 4.811 4.470 0.000 0.000 0.274 110 S C 0.443 175.027 174.600 -0.026 0.000 1.281 110 S CA -0.008 58.162 58.200 -0.050 0.000 1.035 110 S CB 1.638 64.809 63.200 -0.048 0.000 0.962 110 S HN 0.783 nan 8.310 nan 0.000 0.512 111 S N 2.233 117.916 115.700 -0.029 0.000 3.142 111 S HA 0.254 4.724 4.470 0.000 0.000 0.223 111 S C 0.412 175.004 174.600 -0.014 0.000 0.939 111 S CA -0.096 58.094 58.200 -0.017 0.000 0.826 111 S CB -0.803 62.388 63.200 -0.016 0.000 0.823 111 S HN 0.739 nan 8.310 nan 0.000 0.612 112 T N 3.492 118.035 114.554 -0.017 0.000 2.875 112 T HA 0.717 5.067 4.350 0.000 0.000 0.284 112 T C -0.607 174.086 174.700 -0.012 0.000 0.995 112 T CA -0.566 61.527 62.100 -0.012 0.000 1.060 112 T CB 1.154 70.016 68.868 -0.010 0.000 0.967 112 T HN 0.297 nan 8.240 nan 0.000 0.476 113 L N 3.611 124.831 121.223 -0.006 0.000 2.346 113 L HA 0.580 4.920 4.340 0.000 0.000 0.276 113 L C -1.981 174.888 176.870 -0.001 0.000 1.006 113 L CA -2.241 52.597 54.840 -0.004 0.000 0.817 113 L CB 0.989 43.048 42.059 -0.001 0.000 1.272 113 L HN 0.437 nan 8.230 nan 0.000 0.421 114 P HA 0.177 nan 4.420 nan 0.000 0.274 114 P C 0.370 177.672 177.300 0.003 0.000 1.237 114 P CA -0.182 62.919 63.100 0.002 0.000 0.793 114 P CB 0.698 32.400 31.700 0.005 0.000 0.977 121 N N 2.222 120.932 118.700 0.016 0.000 2.558 121 N HA 0.599 5.339 4.740 0.000 0.000 0.242 121 N C 0.220 175.749 175.510 0.031 0.000 0.979 121 N CA 0.735 53.796 53.050 0.019 0.000 0.931 121 N CB 1.569 40.063 38.487 0.011 0.000 1.122 121 N HN 0.977 nan 8.380 nan 0.000 0.508 122 G N 1.521 110.339 108.800 0.030 0.000 2.622 122 G HA2 -0.271 3.689 3.960 0.000 0.000 0.272 122 G HA3 -0.271 3.689 3.960 0.000 0.000 0.272 122 G C -0.180 174.760 174.900 0.066 0.000 1.308 122 G CA 0.372 45.493 45.100 0.035 0.000 0.919 122 G HN 0.746 nan 8.290 nan 0.000 0.565 123 T N -2.743 111.865 114.554 0.090 0.000 2.887 123 T HA 0.751 5.101 4.350 0.000 0.000 0.292 123 T C -0.303 174.582 174.700 0.308 0.000 1.087 123 T CA -0.629 61.572 62.100 0.168 0.000 1.009 123 T CB 2.158 71.135 68.868 0.182 0.000 1.203 123 T HN 1.045 nan 8.240 nan 0.000 0.518 124 I N 1.609 122.375 120.570 0.326 0.000 2.545 124 I HA 0.474 4.644 4.170 0.000 0.000 0.292 124 I C -0.970 175.252 176.117 0.174 0.000 1.040 124 I CA -1.007 60.496 61.300 0.338 0.000 1.068 124 I CB 2.205 40.336 38.000 0.218 0.000 1.251 124 I HN 0.561 nan 8.210 nan 0.000 0.424 125 N N 4.037 122.701 118.700 -0.059 0.000 2.314 125 N HA 0.829 5.569 4.740 0.000 0.000 0.304 125 N C -1.170 174.256 175.510 -0.139 0.000 1.073 125 N CA -0.496 52.382 53.050 -0.287 0.000 0.822 125 N CB 2.356 40.353 38.487 -0.817 0.000 1.280 125 N HN 0.716 nan 8.380 nan 0.000 0.489 126 A N 0.663 123.432 122.820 -0.086 0.000 2.515 126 A HA 0.799 5.119 4.320 0.000 0.000 0.298 126 A C -1.176 176.383 177.584 -0.042 0.000 1.059 126 A CA -0.590 51.428 52.037 -0.031 0.000 0.698 126 A CB 1.012 20.029 19.000 0.029 0.000 1.289 126 A HN 0.384 nan 8.150 nan 0.000 0.404 127 V N -1.090 118.812 119.914 -0.020 0.000 3.049 127 V HA 0.804 4.924 4.120 0.000 0.000 0.309 127 V C -0.304 175.810 176.094 0.033 0.000 1.148 127 V CA -0.724 61.573 62.300 -0.005 0.000 0.990 127 V CB 1.609 33.434 31.823 0.004 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.789 118.364 114.554 0.035 0.000 2.758 128 T HA 0.605 4.955 4.350 0.000 0.000 0.285 128 T C -0.928 173.842 174.700 0.116 0.000 0.981 128 T CA 0.084 62.221 62.100 0.063 0.000 0.965 128 T CB 0.755 69.631 68.868 0.013 0.000 0.927 128 T HN 0.659 nan 8.240 nan 0.000 0.448 129 F N 2.738 122.678 119.950 -0.017 0.000 2.436 129 F HA 0.344 4.871 4.527 0.000 0.000 0.340 129 F C 0.825 176.626 175.800 0.002 0.000 1.113 129 F CA -0.952 57.041 58.000 -0.012 0.000 1.022 129 F CB 1.454 40.447 39.000 -0.011 0.000 1.128 129 F HN 0.462 nan 8.300 nan 0.000 0.466 130 Q N 4.603 124.019 119.800 -0.640 0.000 2.404 130 Q HA 0.313 4.653 4.340 0.000 0.000 0.272 130 Q C 0.032 175.611 176.000 -0.702 0.000 0.939 130 Q CA -0.132 55.362 55.803 -0.514 0.000 0.945 130 Q CB 0.017 28.551 28.738 -0.341 0.000 1.195 130 Q HN 0.889 nan 8.270 nan 0.000 0.415 131 G N -0.629 107.644 108.800 -0.879 0.000 2.645 131 G HA2 0.383 4.343 3.960 0.000 0.000 0.292 131 G HA3 0.383 4.343 3.960 0.000 0.000 0.292 131 G C -0.898 174.091 174.900 0.148 0.000 1.415 131 G CA -0.647 44.208 45.100 -0.410 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.623 115.243 115.700 0.277 0.000 2.669 132 S HA 0.374 4.844 4.470 0.000 0.000 0.270 132 S C 1.431 176.246 174.600 0.359 0.000 1.225 132 S CA -0.429 57.958 58.200 0.312 0.000 0.991 132 S CB 1.496 64.840 63.200 0.240 0.000 0.987 132 S HN 0.898 nan 8.310 nan 0.000 0.552 133 L N 1.745 123.130 121.223 0.271 0.000 2.013 133 L HA -0.147 4.193 4.340 0.000 0.000 0.212 133 L C 2.542 179.476 176.870 0.105 0.000 1.073 133 L CA 2.705 57.624 54.840 0.132 0.000 0.753 133 L CB -1.492 40.620 42.059 0.089 0.000 0.890 133 L HN 0.990 nan 8.230 nan 0.000 0.432 134 S N -1.930 113.861 115.700 0.151 0.000 2.507 134 S HA -0.116 4.354 4.470 0.000 0.000 0.235 134 S C 1.603 176.265 174.600 0.104 0.000 0.988 134 S CA 0.952 59.226 58.200 0.124 0.000 0.944 134 S CB -0.610 62.649 63.200 0.099 0.000 0.762 134 S HN 0.678 nan 8.310 nan 0.000 0.526 135 E N 0.430 120.728 120.200 0.163 0.000 2.371 135 E HA 0.214 4.565 4.350 0.000 0.000 0.194 135 E C -0.162 176.470 176.600 0.054 0.000 1.012 135 E CA -0.151 56.373 56.400 0.207 0.000 0.860 135 E CB -0.084 29.853 29.700 0.395 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.978 123.044 121.223 -0.261 0.000 2.513 136 L HA -0.042 4.298 4.340 0.000 0.000 0.272 136 L C 1.775 178.520 176.870 -0.209 0.000 1.187 136 L CA 0.126 54.640 54.840 -0.544 0.000 0.895 136 L CB 0.732 42.434 42.059 -0.595 0.000 1.147 136 L HN 0.168 nan 8.230 nan 0.000 0.483 137 T N -1.884 112.573 114.554 -0.162 0.000 2.985 137 T HA -0.023 4.327 4.350 0.000 0.000 0.266 137 T C 0.432 175.091 174.700 -0.068 0.000 1.076 137 T CA 0.324 62.381 62.100 -0.071 0.000 1.135 137 T CB 0.120 68.969 68.868 -0.032 0.000 0.890 137 T HN 0.512 nan 8.240 nan 0.000 0.480 138 D N 0.773 121.116 120.400 -0.094 0.000 2.736 138 D HA 0.312 4.952 4.640 0.000 0.000 0.243 138 D C 0.242 176.504 176.300 -0.063 0.000 1.304 138 D CA -0.689 53.276 54.000 -0.057 0.000 0.934 138 D CB 2.238 43.013 40.800 -0.041 0.000 1.382 138 D HN 0.097 nan 8.370 nan 0.000 0.571 139 V N 1.399 121.310 119.914 -0.006 0.000 3.276 139 V HA 0.301 4.421 4.120 0.000 0.000 0.319 139 V C 0.770 176.936 176.094 0.121 0.000 1.427 139 V CA -0.032 62.282 62.300 0.024 0.000 1.102 139 V CB -0.481 31.390 31.823 0.080 0.000 1.020 139 V HN 0.453 nan 8.190 nan 0.000 0.456 140 S N -0.688 115.077 115.700 0.108 0.000 2.584 140 S HA 0.245 4.715 4.470 0.000 0.000 0.270 140 S C 0.869 175.546 174.600 0.129 0.000 1.346 140 S CA 0.254 58.539 58.200 0.142 0.000 1.018 140 S CB 0.616 63.865 63.200 0.082 0.000 0.899 140 S HN 0.474 nan 8.310 nan 0.000 0.542 141 Y N 2.777 123.103 120.300 0.043 0.000 2.062 141 Y HA -0.322 4.228 4.550 0.000 0.000 0.276 141 Y C 2.102 178.011 175.900 0.015 0.000 1.189 141 Y CA 2.727 60.841 58.100 0.023 0.000 1.130 141 Y CB -0.530 37.934 38.460 0.006 0.000 0.959 141 Y HN 0.724 nan 8.280 nan 0.000 0.499 142 N N -0.235 118.551 118.700 0.143 0.000 2.216 142 N HA -0.083 4.657 4.740 0.000 0.000 0.183 142 N C 2.027 177.523 175.510 -0.024 0.000 1.017 142 N CA 1.296 54.374 53.050 0.047 0.000 0.861 142 N CB -0.993 37.557 38.487 0.105 0.000 0.986 142 N HN 0.548 nan 8.380 nan 0.000 0.428 143 G N 1.696 110.492 108.800 -0.007 0.000 2.422 143 G HA2 -0.131 3.829 3.960 0.000 0.000 0.218 143 G HA3 -0.131 3.829 3.960 0.000 0.000 0.218 143 G C 1.663 176.532 174.900 -0.052 0.000 1.140 143 G CA 0.154 45.241 45.100 -0.023 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.143 121.320 121.223 -0.077 0.000 2.064 144 L HA -0.196 4.144 4.340 0.000 0.000 0.216 144 L C 2.934 179.755 176.870 -0.081 0.000 1.077 144 L CA 1.162 55.944 54.840 -0.098 0.000 0.766 144 L CB -0.441 41.535 42.059 -0.137 0.000 0.890 144 L HN 0.213 nan 8.230 nan 0.000 0.435 145 M N -0.602 118.944 119.600 -0.089 0.000 2.530 145 M HA -0.114 4.366 4.480 0.000 0.000 0.261 145 M C 1.723 178.000 176.300 -0.039 0.000 1.067 145 M CA 1.282 56.539 55.300 -0.071 0.000 1.071 145 M CB -0.959 31.596 32.600 -0.074 0.000 1.405 145 M HN 0.296 nan 8.290 nan 0.000 0.478 146 S N -1.144 114.540 115.700 -0.028 0.000 2.593 146 S HA 0.414 4.884 4.470 0.000 0.000 0.236 146 S C 1.641 176.252 174.600 0.018 0.000 0.991 146 S CA 0.181 58.377 58.200 -0.007 0.000 0.963 146 S CB 0.025 63.221 63.200 -0.007 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.918 124.752 122.820 0.023 0.000 2.015 147 A HA 0.169 4.489 4.320 0.000 0.000 0.219 147 A C 1.212 178.915 177.584 0.199 0.000 1.163 147 A CA 1.007 53.106 52.037 0.102 0.000 0.646 147 A CB -0.424 18.608 19.000 0.054 0.000 0.806 147 A HN 0.509 nan 8.150 nan 0.000 0.448 148 T N -3.717 110.896 114.554 0.099 0.000 2.906 148 T HA 0.628 4.978 4.350 0.000 0.000 0.295 148 T C 0.666 175.375 174.700 0.015 0.000 1.075 148 T CA -0.137 61.996 62.100 0.055 0.000 1.005 148 T CB 1.877 70.757 68.868 0.021 0.000 1.136 148 T HN 0.301 nan 8.240 nan 0.000 0.498 149 A N 0.752 123.571 122.820 -0.001 0.000 2.132 149 A HA 0.211 4.531 4.320 0.000 0.000 0.213 149 A C 0.721 178.286 177.584 -0.031 0.000 1.154 149 A CA -0.053 51.975 52.037 -0.015 0.000 0.753 149 A CB -0.728 18.263 19.000 -0.015 0.000 0.826 149 A HN 0.847 nan 8.150 nan 0.000 0.469 150 N N 0.477 119.154 118.700 -0.039 0.000 2.427 150 N HA 0.161 4.901 4.740 0.000 0.000 0.269 150 N C 0.664 176.131 175.510 -0.073 0.000 1.235 150 N CA -0.393 52.622 53.050 -0.058 0.000 0.934 150 N CB 0.870 39.317 38.487 -0.067 0.000 1.121 150 N HN 0.257 nan 8.380 nan 0.000 0.480 151 I N 2.834 123.356 120.570 -0.079 0.000 2.454 151 I HA -0.208 3.962 4.170 0.000 0.000 0.254 151 I C 1.065 177.100 176.117 -0.136 0.000 1.156 151 I CA 1.368 62.612 61.300 -0.093 0.000 1.433 151 I CB -0.089 37.860 38.000 -0.084 0.000 1.082 151 I HN 0.545 nan 8.210 nan 0.000 0.432 152 N N 0.467 119.070 118.700 -0.161 0.000 2.314 152 N HA 0.011 4.751 4.740 0.000 0.000 0.200 152 N C 0.195 175.565 175.510 -0.232 0.000 1.135 152 N CA 0.383 53.288 53.050 -0.241 0.000 0.835 152 N CB 0.043 38.374 38.487 -0.260 0.000 0.989 152 N HN 0.413 nan 8.380 nan 0.000 0.478 153 D N 0.318 120.625 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 0.000 0.000 0.218 153 D C 0.083 176.330 176.300 -0.089 0.000 1.177 153 D CA 0.208 54.137 54.000 -0.117 0.000 0.830 153 D CB 0.882 41.636 40.800 -0.077 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.060 120.276 120.400 -0.107 0.000 2.502 154 K HA 0.660 4.980 4.320 0.000 0.000 0.257 154 K C -1.430 175.111 176.600 -0.098 0.000 0.938 154 K CA -0.891 55.345 56.287 -0.084 0.000 0.819 154 K CB 2.661 35.121 32.500 -0.066 0.000 1.333 154 K HN -0.178 nan 8.250 nan 0.000 0.434 155 I N 0.694 121.218 120.570 -0.077 0.000 2.656 155 I HA 0.529 4.699 4.170 0.000 0.000 0.292 155 I C -1.211 174.877 176.117 -0.049 0.000 1.144 155 I CA -0.094 61.169 61.300 -0.061 0.000 1.038 155 I CB 2.461 40.434 38.000 -0.046 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.224 113.004 108.800 -0.033 0.000 2.530 156 G HA2 0.422 4.382 3.960 0.000 0.000 0.316 156 G HA3 0.422 4.382 3.960 0.000 0.000 0.316 156 G C -0.511 174.405 174.900 0.026 0.000 1.298 156 G CA -0.461 44.623 45.100 -0.028 0.000 0.948 156 G HN 0.676 nan 8.290 nan 0.000 0.486 157 N N -0.201 118.541 118.700 0.070 0.000 2.738 157 N HA -0.168 4.572 4.740 0.000 0.000 0.249 157 N C 0.320 175.896 175.510 0.109 0.000 1.047 157 N CA 0.664 53.798 53.050 0.139 0.000 0.707 157 N CB -1.065 37.498 38.487 0.127 0.000 0.937 157 N HN 0.416 nan 8.380 nan 0.000 0.545 158 V N 1.148 121.126 119.914 0.106 0.000 2.555 158 V HA 0.105 4.225 4.120 0.000 0.000 0.286 158 V C 1.459 177.618 176.094 0.108 0.000 1.044 158 V CA -0.511 61.846 62.300 0.097 0.000 1.026 158 V CB 0.992 32.872 31.823 0.095 0.000 0.981 158 V HN 0.172 nan 8.190 nan 0.000 0.480 159 L N 4.762 126.037 121.223 0.087 0.000 2.490 159 L HA 0.055 4.395 4.340 0.000 0.000 0.274 159 L C 1.461 178.377 176.870 0.077 0.000 1.201 159 L CA -0.033 54.853 54.840 0.077 0.000 0.869 159 L CB 0.580 42.674 42.059 0.059 0.000 1.123 159 L HN 0.500 nan 8.230 nan 0.000 0.484 160 V N 3.417 123.375 119.914 0.074 0.000 2.490 160 V HA -0.192 3.928 4.120 0.000 0.000 0.250 160 V C 2.266 178.382 176.094 0.035 0.000 1.061 160 V CA 2.154 64.489 62.300 0.059 0.000 1.064 160 V CB -0.711 31.140 31.823 0.046 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.684 108.136 108.800 0.033 0.000 2.422 161 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 161 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 161 G C 1.554 176.473 174.900 0.031 0.000 1.146 161 G CA 0.969 46.084 45.100 0.025 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.110 120.336 120.200 0.043 0.000 2.051 162 E HA 0.271 4.621 4.350 0.000 0.000 0.189 162 E C 1.343 177.977 176.600 0.056 0.000 0.979 162 E CA 0.793 57.224 56.400 0.051 0.000 0.803 162 E CB -0.114 29.622 29.700 0.060 0.000 0.761 162 E HN 0.473 nan 8.360 nan 0.000 0.451 163 G N -0.086 108.752 108.800 0.063 0.000 2.710 163 G HA2 -0.188 3.772 3.960 0.000 0.000 0.668 163 G HA3 -0.188 3.772 3.960 0.000 0.000 0.668 163 G C -0.959 173.990 174.900 0.081 0.000 1.320 163 G CA -0.313 44.826 45.100 0.065 0.000 0.860 163 G HN 0.287 nan 8.290 nan 0.000 0.538 164 V N 0.217 120.179 119.914 0.079 0.000 2.769 164 V HA 0.826 4.946 4.120 0.000 0.000 0.312 164 V C 0.337 176.458 176.094 0.046 0.000 1.061 164 V CA -0.103 62.251 62.300 0.089 0.000 0.931 164 V CB 2.365 34.251 31.823 0.104 0.000 1.010 164 V HN 1.167 nan 8.190 nan 0.000 0.433 165 T N 3.655 118.231 114.554 0.037 0.000 2.792 165 T HA 0.525 4.875 4.350 0.000 0.000 0.280 165 T C -0.584 174.082 174.700 -0.056 0.000 0.990 165 T CA -0.310 61.719 62.100 -0.119 0.000 0.960 165 T CB 1.461 70.083 68.868 -0.410 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.735 124.558 119.914 -0.152 0.000 2.383 166 V HA 0.483 4.603 4.120 0.000 0.000 0.275 166 V C -0.358 175.630 176.094 -0.176 0.000 1.036 166 V CA -0.746 61.474 62.300 -0.133 0.000 0.889 166 V CB 1.222 32.883 31.823 -0.271 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.915 126.109 121.223 -0.049 0.000 2.333 167 L HA 0.592 4.932 4.340 0.000 0.000 0.280 167 L C 0.228 177.089 176.870 -0.015 0.000 1.004 167 L CA 0.243 55.056 54.840 -0.045 0.000 0.820 167 L CB 2.044 44.162 42.059 0.098 0.000 1.247 167 L HN 0.632 nan 8.230 nan 0.000 0.416 168 S N 5.983 121.660 115.700 -0.038 0.000 2.448 168 S HA 0.539 5.009 4.470 0.000 0.000 0.279 168 S C -0.413 174.187 174.600 0.001 0.000 1.195 168 S CA -0.524 57.666 58.200 -0.017 0.000 1.051 168 S CB -0.294 62.895 63.200 -0.019 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.466 127.687 121.223 -0.003 0.000 2.331 169 L HA 0.570 4.910 4.340 0.000 0.000 0.275 169 L C -1.753 175.090 176.870 -0.044 0.000 1.022 169 L CA -2.358 52.478 54.840 -0.008 0.000 0.812 169 L CB 1.499 43.549 42.059 -0.016 0.000 1.257 169 L HN 0.527 nan 8.230 nan 0.000 0.435 170 P HA 0.088 nan 4.420 nan 0.000 0.271 170 P C -0.582 176.574 177.300 -0.241 0.000 1.218 170 P CA -0.207 62.752 63.100 -0.234 0.000 0.780 170 P CB 0.682 32.047 31.700 -0.559 0.000 0.901 171 T N -2.114 112.289 114.554 -0.252 0.000 3.331 171 T HA 0.492 4.842 4.350 0.000 0.000 0.381 171 T C -0.268 174.267 174.700 -0.276 0.000 1.656 171 T CA -0.681 61.289 62.100 -0.217 0.000 1.453 171 T CB -0.778 68.002 68.868 -0.146 0.000 1.066 171 T HN 0.626 nan 8.240 nan 0.000 0.655 172 S N 1.334 116.829 115.700 -0.341 0.000 2.912 172 S HA -0.103 4.367 4.470 0.000 0.000 0.857 172 S C -0.774 173.569 174.600 -0.428 0.000 0.919 172 S CA -0.676 57.338 58.200 -0.310 0.000 1.424 172 S CB -1.027 62.041 63.200 -0.220 0.000 1.019 172 S HN 0.720 nan 8.310 nan 0.000 0.231 173 Y N 2.088 122.356 120.300 -0.055 0.000 2.645 173 Y HA 0.461 5.011 4.550 0.000 0.000 0.341 173 Y C 1.328 177.190 175.900 -0.064 0.000 1.234 173 Y CA -0.252 57.812 58.100 -0.059 0.000 1.352 173 Y CB 0.421 38.848 38.460 -0.056 0.000 1.556 173 Y HN 0.771 nan 8.280 nan 0.000 0.607 174 D N 0.767 121.261 120.400 0.156 0.000 2.737 174 D HA -0.187 4.454 4.640 0.000 0.000 0.233 174 D C -1.058 175.268 176.300 0.044 0.000 1.155 174 D CA 0.761 54.803 54.000 0.070 0.000 0.667 174 D CB -1.104 39.727 40.800 0.051 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.119 121.126 121.223 0.036 0.000 2.417 175 L HA 0.401 4.741 4.340 0.000 0.000 0.268 175 L C 1.829 178.778 176.870 0.131 0.000 1.158 175 L CA -0.138 54.712 54.840 0.017 0.000 0.819 175 L CB 0.845 42.857 42.059 -0.079 0.000 1.112 175 L HN 0.034 nan 8.230 nan 0.000 0.458 176 G N 0.587 109.532 108.800 0.242 0.000 2.606 176 G HA2 0.170 4.130 3.960 0.000 0.000 0.252 176 G HA3 0.170 4.130 3.960 0.000 0.000 0.252 176 G C -0.872 174.187 174.900 0.264 0.000 1.206 176 G CA -0.337 44.924 45.100 0.267 0.000 0.861 176 G HN 0.343 nan 8.290 nan 0.000 0.561 177 Y N -0.509 119.857 120.300 0.110 0.000 2.511 177 Y HA 0.235 4.785 4.550 0.000 0.000 0.332 177 Y C 0.888 176.846 175.900 0.098 0.000 1.177 177 Y CA 0.212 58.375 58.100 0.105 0.000 1.422 177 Y CB 1.052 39.551 38.460 0.064 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.352 125.307 119.914 0.068 0.000 2.427 178 V HA 0.315 4.435 4.120 0.000 0.000 0.286 178 V C 0.133 176.229 176.094 0.004 0.000 1.034 178 V CA -1.203 61.010 62.300 -0.146 0.000 0.893 178 V CB 1.371 32.873 31.823 -0.536 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.858 124.320 120.500 -0.065 0.000 2.401 179 R HA 0.363 4.703 4.340 0.000 0.000 0.299 179 R C -0.424 175.743 176.300 -0.222 0.000 1.064 179 R CA -0.318 55.594 56.100 -0.314 0.000 1.000 179 R CB 0.293 30.373 30.300 -0.366 0.000 0.973 179 R HN 0.623 nan 8.270 nan 0.000 0.438 180 L N 2.145 123.240 121.223 -0.213 0.000 2.479 180 L HA 0.235 4.575 4.340 0.000 0.000 0.248 180 L C 1.496 178.310 176.870 -0.094 0.000 1.205 180 L CA -0.089 54.683 54.840 -0.113 0.000 0.817 180 L CB 0.542 42.561 42.059 -0.068 0.000 1.162 180 L HN 0.803 nan 8.230 nan 0.000 0.486 181 G N 0.216 108.997 108.800 -0.033 0.000 3.455 181 G HA2 0.040 4.000 3.960 0.000 0.000 0.250 181 G HA3 0.040 4.000 3.960 0.000 0.000 0.250 181 G C -0.055 174.824 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.678 45.100 -0.027 0.000 1.812 181 G HN 0.709 nan 8.290 nan 0.000 0.643 182 D N 1.125 121.485 120.400 -0.067 0.000 2.382 182 D HA 0.134 4.774 4.640 0.000 0.000 0.245 182 D C -2.473 173.798 176.300 -0.049 0.000 1.120 182 D CA -1.550 52.415 54.000 -0.058 0.000 0.890 182 D CB 1.877 42.627 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.153 nan 4.420 nan 0.000 0.268 183 P C -0.447 176.833 177.300 -0.033 0.000 1.205 183 P CA -0.411 62.672 63.100 -0.029 0.000 0.771 183 P CB 0.832 32.519 31.700 -0.022 0.000 0.858 184 I N 5.077 125.630 120.570 -0.028 0.000 2.562 184 I HA 0.406 4.576 4.170 0.000 0.000 0.301 184 I C -2.231 173.875 176.117 -0.020 0.000 1.003 184 I CA -3.102 58.182 61.300 -0.027 0.000 1.127 184 I CB 1.237 39.220 38.000 -0.028 0.000 1.304 184 I HN 0.210 nan 8.210 nan 0.000 0.446 185 P HA 0.436 nan 4.420 nan 0.000 0.267 185 P C -1.551 175.742 177.300 -0.011 0.000 1.209 185 P CA -0.155 62.937 63.100 -0.014 0.000 0.763 185 P CB 0.479 32.172 31.700 -0.012 0.000 0.816 186 A N 3.450 126.264 122.820 -0.010 0.000 2.566 186 A HA 0.692 5.012 4.320 0.000 0.000 0.297 186 A C -0.798 176.782 177.584 -0.007 0.000 1.059 186 A CA -0.693 51.339 52.037 -0.008 0.000 0.691 186 A CB 0.974 19.969 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.538 120.028 120.570 -0.006 0.000 2.646 187 I HA 1.008 5.178 4.170 0.000 0.000 0.299 187 I C 0.117 176.232 176.117 -0.004 0.000 1.036 187 I CA -0.871 60.427 61.300 -0.005 0.000 1.074 187 I CB 2.441 40.438 38.000 -0.004 0.000 1.258 187 I HN 0.976 nan 8.210 nan 0.000 0.430 188 G N 3.799 112.597 108.800 -0.003 0.000 2.673 188 G HA2 0.415 4.375 3.960 0.000 0.000 0.292 188 G HA3 0.415 4.375 3.960 0.000 0.000 0.292 188 G C -0.204 174.695 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.727 nan 8.290 nan 0.000 0.505 189 L N -0.351 120.870 121.223 -0.002 0.000 2.201 189 L HA 0.055 4.395 4.340 0.000 0.000 0.212 189 L C 0.824 177.693 176.870 -0.002 0.000 1.105 189 L CA 0.699 55.538 54.840 -0.002 0.000 0.775 189 L CB 0.082 42.139 42.059 -0.002 0.000 0.913 189 L HN 0.380 nan 8.230 nan 0.000 0.440 190 D N -0.299 120.100 120.400 -0.001 0.000 2.295 190 D HA 0.116 4.757 4.640 0.000 0.000 0.248 190 D C -1.531 174.768 176.300 -0.000 0.000 1.154 190 D CA -2.014 51.985 54.000 -0.001 0.000 0.857 190 D CB 1.759 42.558 40.800 -0.001 0.000 1.117 190 D HN -0.171 nan 8.370 nan 0.000 0.468 191 P HA -0.144 nan 4.420 nan 0.000 0.216 191 P C 0.480 177.781 177.300 0.002 0.000 1.154 191 P CA 1.344 64.445 63.100 0.001 0.000 0.865 191 P CB 0.265 31.966 31.700 0.002 0.000 0.789 192 K N -1.406 118.996 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 0.000 0.000 0.199 192 K C 0.752 177.354 176.600 0.003 0.000 1.028 192 K CA -0.246 56.043 56.287 0.004 0.000 1.164 192 K CB -0.295 32.208 32.500 0.004 0.000 0.877 192 K HN 0.194 nan 8.250 nan 0.000 0.508 193 M N 1.958 121.558 119.600 0.001 0.000 2.219 193 M HA 0.085 4.565 4.480 0.000 0.000 0.353 193 M C -1.065 175.235 176.300 -0.000 0.000 1.304 193 M CA 0.341 55.641 55.300 -0.000 0.000 1.115 193 M CB 0.696 33.295 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.666 124.580 119.914 -0.001 0.000 2.623 194 V HA 0.726 4.846 4.120 0.000 0.000 0.304 194 V C -0.687 175.405 176.094 -0.005 0.000 1.054 194 V CA -0.835 61.464 62.300 -0.001 0.000 0.882 194 V CB 1.694 33.519 31.823 0.002 0.000 1.002 194 V HN 0.950 nan 8.190 nan 0.000 0.424 195 A N 3.440 126.254 122.820 -0.009 0.000 2.357 195 A HA 0.911 5.232 4.320 0.000 0.000 0.295 195 A C -0.119 177.453 177.584 -0.020 0.000 1.121 195 A CA -0.284 51.745 52.037 -0.014 0.000 0.742 195 A CB 1.488 20.480 19.000 -0.014 0.000 1.181 195 A HN 0.944 nan 8.150 nan 0.000 0.454 196 T N -1.912 112.627 114.554 -0.025 0.000 2.907 196 T HA 0.609 4.959 4.350 0.000 0.000 0.290 196 T C -0.639 174.031 174.700 -0.050 0.000 1.066 196 T CA -0.794 61.285 62.100 -0.034 0.000 1.012 196 T CB 1.463 70.315 68.868 -0.027 0.000 1.184 196 T HN 1.044 nan 8.240 nan 0.000 0.522 197 C N 2.307 121.568 119.300 -0.066 0.000 2.293 197 C HA 0.645 5.106 4.460 0.000 0.000 0.323 197 C C -0.852 174.078 174.990 -0.100 0.000 1.240 197 C CA -0.476 58.491 59.018 -0.085 0.000 1.497 197 C CB -1.041 26.642 27.740 -0.095 0.000 2.171 197 C HN 0.883 nan 8.230 nan 0.000 0.465 198 D N 2.928 123.269 120.400 -0.097 0.000 2.277 198 D HA 0.308 4.948 4.640 0.000 0.000 0.250 198 D C -0.055 176.197 176.300 -0.080 0.000 1.032 198 D CA 0.002 53.954 54.000 -0.080 0.000 0.947 198 D CB 1.571 42.329 40.800 -0.069 0.000 1.159 198 D HN 0.553 nan 8.370 nan 0.000 0.460 199 S N 0.049 115.711 115.700 -0.063 0.000 2.629 199 S HA 0.118 4.588 4.470 0.000 0.000 0.302 199 S C 1.062 175.659 174.600 -0.005 0.000 1.244 199 S CA -0.110 58.046 58.200 -0.073 0.000 1.098 199 S CB 0.135 63.272 63.200 -0.105 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.248 116.948 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 0.000 0.000 0.258 200 S C -0.367 174.279 174.600 0.075 0.000 1.082 200 S CA -0.534 57.696 58.200 0.050 0.000 0.836 200 S CB -0.450 62.748 63.200 -0.005 0.000 0.834 200 S HN 0.571 nan 8.310 nan 0.000 0.457 201 D N 3.449 123.886 120.400 0.062 0.000 2.571 201 D HA 0.242 4.882 4.640 0.000 0.000 0.231 201 D C 0.112 176.484 176.300 0.119 0.000 1.133 201 D CA 0.620 54.675 54.000 0.093 0.000 0.862 201 D CB -0.055 40.814 40.800 0.116 0.000 1.179 201 D HN 0.176 nan 8.370 nan 0.000 0.474 202 R N -0.427 120.136 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 0.000 0.000 0.258 202 R C -2.482 173.862 176.300 0.074 0.000 0.968 202 R CA -0.031 56.125 56.100 0.093 0.000 0.656 202 R CB -1.844 28.543 30.300 0.145 0.000 1.251 202 R HN 0.453 nan 8.270 nan 0.000 0.428 203 P HA 0.088 nan 4.420 nan 0.000 0.272 203 P C -0.280 177.006 177.300 -0.023 0.000 1.230 203 P CA -0.125 62.996 63.100 0.036 0.000 0.788 203 P CB 0.741 32.470 31.700 0.049 0.000 0.949 204 R N 1.172 121.633 120.500 -0.064 0.000 2.407 204 R HA 0.523 4.863 4.340 0.000 0.000 0.303 204 R C -1.373 174.801 176.300 -0.209 0.000 0.981 204 R CA -0.736 55.267 56.100 -0.161 0.000 0.905 204 R CB 0.903 31.090 30.300 -0.188 0.000 1.099 204 R HN 0.259 nan 8.270 nan 0.000 0.459 205 V N 5.461 125.215 119.914 -0.267 0.000 2.487 205 V HA 0.364 4.484 4.120 0.000 0.000 0.298 205 V C -1.209 174.709 176.094 -0.293 0.000 1.028 205 V CA -0.703 61.477 62.300 -0.199 0.000 0.860 205 V CB 1.472 33.235 31.823 -0.100 0.000 0.991 205 V HN 0.690 nan 8.190 nan 0.000 0.427 206 Y N 1.825 122.104 120.300 -0.035 0.000 2.342 206 Y HA 0.601 5.151 4.550 0.000 0.000 0.334 206 Y C 0.757 176.618 175.900 -0.064 0.000 1.067 206 Y CA -0.514 57.561 58.100 -0.040 0.000 1.128 206 Y CB 2.040 40.483 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.167 119.766 114.554 0.075 0.000 2.786 207 T HA 0.579 4.929 4.350 0.000 0.000 0.283 207 T C -0.581 174.073 174.700 -0.077 0.000 0.992 207 T CA -0.522 61.566 62.100 -0.020 0.000 0.954 207 T CB 0.328 69.174 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.878 123.342 120.570 -0.178 0.000 2.411 208 I HA 0.247 4.417 4.170 0.000 0.000 0.284 208 I C 0.241 176.147 176.117 -0.352 0.000 1.012 208 I CA -0.640 60.461 61.300 -0.332 0.000 1.119 208 I CB 1.725 39.368 38.000 -0.595 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.770 120.167 114.554 -0.263 0.000 2.863 209 T HA 0.208 4.558 4.350 0.000 0.000 0.299 209 T C 1.207 175.755 174.700 -0.254 0.000 0.973 209 T CA -0.235 61.739 62.100 -0.211 0.000 0.994 209 T CB 1.081 69.876 68.868 -0.123 0.000 0.961 209 T HN 0.752 nan 8.240 nan 0.000 0.552 210 A N 2.919 125.554 122.820 -0.308 0.000 2.014 210 A HA 0.561 4.881 4.320 0.000 0.000 0.218 210 A C 1.213 178.763 177.584 -0.057 0.000 1.163 210 A CA 0.588 52.474 52.037 -0.251 0.000 0.652 210 A CB 0.106 19.031 19.000 -0.125 0.000 0.808 210 A HN 0.891 nan 8.150 nan 0.000 0.449 211 A N -0.859 121.936 122.820 -0.041 0.000 2.540 211 A HA 0.542 4.862 4.320 0.000 0.000 0.297 211 A C -2.001 175.600 177.584 0.030 0.000 1.056 211 A CA -0.353 51.711 52.037 0.045 0.000 0.700 211 A CB 1.040 20.110 19.000 0.117 0.000 1.280 211 A HN 0.025 nan 8.150 nan 0.000 0.398 212 D N 2.165 122.609 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 0.000 0.000 0.259 212 D C -0.783 175.569 176.300 0.086 0.000 1.235 212 D CA 0.254 54.285 54.000 0.051 0.000 0.924 212 D CB 0.464 41.281 40.800 0.029 0.000 1.143 212 D HN 0.472 nan 8.370 nan 0.000 0.529 213 D N 2.074 122.524 120.400 0.083 0.000 2.686 213 D HA -0.297 4.343 4.640 0.000 0.000 0.235 213 D C -0.493 175.888 176.300 0.136 0.000 1.160 213 D CA 0.578 54.634 54.000 0.093 0.000 0.645 213 D CB -1.798 39.035 40.800 0.054 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.319 121.678 120.300 0.098 0.000 2.537 214 Y HA 0.136 4.686 4.550 0.000 0.000 0.339 214 Y C 0.504 176.494 175.900 0.149 0.000 1.066 214 Y CA -0.097 58.078 58.100 0.125 0.000 1.357 214 Y CB 0.512 39.074 38.460 0.169 0.000 1.175 214 Y HN -0.017 nan 8.280 nan 0.000 0.525 215 Q N 7.371 126.779 119.800 -0.653 0.000 2.288 215 Q HA 0.160 4.500 4.340 0.000 0.000 0.258 215 Q C -1.199 174.197 176.000 -1.007 0.000 0.957 215 Q CA -0.260 55.194 55.803 -0.582 0.000 0.919 215 Q CB 1.485 30.015 28.738 -0.347 0.000 1.185 215 Q HN 0.752 nan 8.270 nan 0.000 0.408 216 F N 1.197 120.605 119.950 -0.904 0.000 2.469 216 F HA 0.511 5.038 4.527 0.000 0.000 0.332 216 F C -0.598 174.840 175.800 -0.604 0.000 1.103 216 F CA -0.519 56.929 58.000 -0.919 0.000 0.979 216 F CB 1.790 39.750 39.000 -1.734 0.000 1.137 216 F HN 0.374 nan 8.300 nan 0.000 0.463 217 S N 4.056 118.994 115.700 -1.269 0.000 2.603 217 S HA 0.672 5.142 4.470 0.000 0.000 0.274 217 S C -1.463 172.593 174.600 -0.908 0.000 1.168 217 S CA -0.387 57.293 58.200 -0.866 0.000 0.963 217 S CB 1.233 64.164 63.200 -0.449 0.000 1.078 217 S HN 0.950 nan 8.310 nan 0.000 0.477 218 S N 2.788 118.104 115.700 -0.640 0.000 2.565 218 S HA 0.402 4.873 4.470 0.000 0.000 0.274 218 S C -1.822 172.705 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.439 64.409 63.200 -0.383 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.583 121.353 119.800 -0.051 0.000 2.354 219 Q HA 0.205 4.545 4.340 0.000 0.000 0.244 219 Q C -0.729 175.329 176.000 0.097 0.000 0.969 219 Q CA -0.210 55.610 55.803 0.029 0.000 0.885 219 Q CB 0.506 29.254 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.802 122.119 120.300 0.029 0.000 2.788 220 Y HA -0.074 4.477 4.550 0.000 0.000 0.341 220 Y C -0.489 175.438 175.900 0.045 0.000 1.258 220 Y CA 0.628 58.758 58.100 0.049 0.000 1.503 220 Y CB 0.470 38.955 38.460 0.041 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.901 126.194 119.800 -0.845 0.000 2.268 221 Q HA 0.419 4.759 4.340 0.000 0.000 0.266 221 Q C -2.967 172.460 176.000 -0.956 0.000 1.006 221 Q CA -2.542 52.787 55.803 -0.789 0.000 0.824 221 Q CB 2.054 30.629 28.738 -0.273 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.151 nan 4.420 nan 0.000 0.263 222 P C 0.515 177.733 177.300 -0.137 0.000 1.195 222 P CA 1.339 64.281 63.100 -0.263 0.000 0.762 222 P CB 0.753 32.386 31.700 -0.111 0.000 0.799 223 G N 2.162 110.935 108.800 -0.044 0.000 2.268 223 G HA2 0.007 3.968 3.960 0.000 0.000 0.240 223 G HA3 0.007 3.968 3.960 0.000 0.000 0.240 223 G C 0.464 175.360 174.900 -0.007 0.000 1.010 223 G CA 0.234 45.324 45.100 -0.018 0.000 0.618 223 G HN 1.067 nan 8.290 nan 0.000 0.516 224 G N -2.284 106.497 108.800 -0.032 0.000 2.631 224 G HA2 0.320 4.280 3.960 0.000 0.000 0.504 224 G HA3 0.320 4.280 3.960 0.000 0.000 0.504 224 G C -0.588 174.331 174.900 0.032 0.000 1.306 224 G CA 0.084 45.197 45.100 0.023 0.000 0.897 224 G HN 1.549 nan 8.290 nan 0.000 0.520 225 V N 0.840 120.816 119.914 0.103 0.000 2.407 225 V HA 0.649 4.769 4.120 0.000 0.000 0.291 225 V C 0.418 176.602 176.094 0.149 0.000 1.018 225 V CA -0.224 62.163 62.300 0.145 0.000 0.842 225 V CB 1.578 33.556 31.823 0.257 0.000 0.996 225 V HN 1.000 nan 8.190 nan 0.000 0.426 226 T N 6.874 121.495 114.554 0.112 0.000 2.799 226 T HA 0.727 5.077 4.350 0.000 0.000 0.286 226 T C -0.181 174.595 174.700 0.126 0.000 0.973 226 T CA -0.083 62.075 62.100 0.097 0.000 1.035 226 T CB 0.882 69.789 68.868 0.064 0.000 0.932 226 T HN 0.649 nan 8.240 nan 0.000 0.469 227 I N -0.688 119.963 120.570 0.135 0.000 2.892 227 I HA 0.664 4.834 4.170 0.000 0.000 0.306 227 I C -0.451 175.726 176.117 0.100 0.000 1.078 227 I CA -0.938 60.453 61.300 0.151 0.000 1.032 227 I CB 2.340 40.491 38.000 0.251 0.000 1.229 227 I HN 0.300 nan 8.210 nan 0.000 0.435 228 T N 4.941 119.532 114.554 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 0.013 0.000 1.035 228 T CA -0.272 61.834 62.100 0.009 0.000 0.950 228 T CB 1.057 69.907 68.868 -0.030 0.000 0.984 228 T HN 0.593 nan 8.240 nan 0.000 0.486 229 L N 4.513 125.750 121.223 0.023 0.000 2.046 229 L HA 0.240 4.580 4.340 0.000 0.000 0.208 229 L C 0.213 177.152 176.870 0.117 0.000 1.077 229 L CA 1.756 56.639 54.840 0.071 0.000 0.747 229 L CB -0.277 41.895 42.059 0.188 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.282 116.663 119.950 -0.008 0.000 2.713 230 F HA 0.651 5.178 4.527 0.000 0.000 0.311 230 F C -0.725 175.068 175.800 -0.011 0.000 1.141 230 F CA -0.906 57.077 58.000 -0.028 0.000 0.939 230 F CB 0.732 39.706 39.000 -0.044 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.164 116.985 115.700 0.202 0.000 2.575 231 S HA 0.895 5.365 4.470 0.000 0.000 0.278 231 S C -1.525 173.199 174.600 0.207 0.000 1.139 231 S CA 0.092 58.350 58.200 0.096 0.000 0.954 231 S CB 1.265 64.466 63.200 0.001 0.000 1.054 231 S HN 1.686 nan 8.310 nan 0.000 0.483 232 A N 3.856 126.780 122.820 0.173 0.000 2.488 232 A HA 0.705 5.025 4.320 0.000 0.000 0.298 232 A C -1.197 176.373 177.584 -0.022 0.000 1.044 232 A CA -0.887 51.198 52.037 0.080 0.000 0.693 232 A CB 1.067 20.113 19.000 0.077 0.000 1.272 232 A HN 0.714 nan 8.150 nan 0.000 0.402 233 N N 1.463 120.133 118.700 -0.051 0.000 2.442 233 N HA 0.526 5.266 4.740 0.000 0.000 0.265 233 N C -0.217 175.161 175.510 -0.220 0.000 1.138 233 N CA 0.277 53.281 53.050 -0.077 0.000 0.956 233 N CB 0.507 38.983 38.487 -0.018 0.000 1.067 233 N HN 0.744 nan 8.380 nan 0.000 0.474 234 I N -2.157 118.259 120.570 -0.256 0.000 3.174 234 I HA 0.614 4.784 4.170 0.000 0.000 0.313 234 I C -1.053 175.011 176.117 -0.088 0.000 1.155 234 I CA -0.964 60.039 61.300 -0.494 0.000 0.977 234 I CB 2.670 40.208 38.000 -0.771 0.000 1.248 234 I HN 0.027 nan 8.210 nan 0.000 0.453 235 D N 2.103 122.561 120.400 0.096 0.000 2.646 235 D HA 0.719 5.359 4.640 0.000 0.000 0.245 235 D C -1.161 175.224 176.300 0.141 0.000 1.099 235 D CA -0.224 53.863 54.000 0.145 0.000 0.849 235 D CB 2.394 43.310 40.800 0.194 0.000 1.448 235 D HN 0.902 nan 8.370 nan 0.000 0.489 236 A N 2.009 124.878 122.820 0.081 0.000 2.517 236 A HA 0.528 4.848 4.320 0.000 0.000 0.297 236 A C -0.189 177.399 177.584 0.006 0.000 1.050 236 A CA -0.518 51.552 52.037 0.056 0.000 0.694 236 A CB 0.922 19.954 19.000 0.054 0.000 1.277 236 A HN 0.553 nan 8.150 nan 0.000 0.400 237 I N 0.522 121.080 120.570 -0.020 0.000 4.124 237 I HA 0.118 4.288 4.170 0.000 0.000 0.311 237 I C 1.271 177.378 176.117 -0.017 0.000 1.259 237 I CA 1.073 62.322 61.300 -0.085 0.000 1.315 237 I CB 0.652 38.505 38.000 -0.245 0.000 1.223 237 I HN 0.791 nan 8.210 nan 0.000 0.441 238 T N -1.448 113.134 114.554 0.047 0.000 2.762 238 T HA 0.409 4.759 4.350 0.000 0.000 0.272 238 T C 0.325 175.076 174.700 0.086 0.000 0.982 238 T CA -0.489 61.657 62.100 0.077 0.000 1.013 238 T CB 1.155 70.099 68.868 0.126 0.000 1.309 238 T HN 0.126 nan 8.240 nan 0.000 0.572 239 S N 0.622 116.390 115.700 0.114 0.000 2.558 239 S HA 0.369 4.839 4.470 0.000 0.000 0.291 239 S C 0.041 174.753 174.600 0.186 0.000 1.306 239 S CA -0.426 57.869 58.200 0.158 0.000 1.056 239 S CB -0.982 62.330 63.200 0.188 0.000 0.836 239 S HN 1.187 nan 8.310 nan 0.000 0.504 240 L N -0.503 120.792 121.223 0.120 0.000 2.491 240 L HA 0.951 5.291 4.340 0.000 0.000 0.254 240 L C -0.655 176.223 176.870 0.014 0.000 1.048 240 L CA -1.006 53.805 54.840 -0.049 0.000 0.855 240 L CB 1.861 43.906 42.059 -0.023 0.000 1.466 240 L HN 0.856 nan 8.230 nan 0.000 0.409 241 S N -0.214 115.451 115.700 -0.059 0.000 2.569 241 S HA 0.887 5.357 4.470 0.000 0.000 0.280 241 S C -1.085 173.542 174.600 0.044 0.000 1.111 241 S CA -0.685 57.545 58.200 0.050 0.000 0.887 241 S CB 1.976 65.252 63.200 0.126 0.000 1.095 241 S HN 0.663 nan 8.310 nan 0.000 0.476 242 V N 1.499 121.466 119.914 0.089 0.000 2.487 242 V HA 0.845 4.965 4.120 0.000 0.000 0.298 242 V C 0.693 176.871 176.094 0.140 0.000 1.028 242 V CA 0.009 62.374 62.300 0.109 0.000 0.860 242 V CB 1.202 33.123 31.823 0.163 0.000 0.991 242 V HN 1.250 nan 8.190 nan 0.000 0.427 243 G N 1.790 110.646 108.800 0.093 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 -0.147 174.787 174.900 0.057 0.000 1.308 243 G CA -0.223 44.942 45.100 0.107 0.000 0.964 243 G HN 1.490 nan 8.290 nan 0.000 0.484 244 G N -1.148 107.703 108.800 0.085 0.000 2.373 244 G HA2 0.350 4.311 3.960 0.000 0.000 0.634 244 G HA3 0.350 4.311 3.960 0.000 0.000 0.634 244 G C -0.982 174.004 174.900 0.144 0.000 1.267 244 G CA 0.065 45.185 45.100 0.032 0.000 1.008 244 G HN 0.936 nan 8.290 nan 0.000 0.497 245 E N -1.159 119.092 120.200 0.086 0.000 2.354 245 E HA 0.550 4.900 4.350 0.000 0.000 0.283 245 E C -0.956 175.701 176.600 0.096 0.000 0.938 245 E CA -0.766 55.745 56.400 0.185 0.000 0.777 245 E CB 1.571 31.338 29.700 0.112 0.000 1.222 245 E HN 0.604 nan 8.360 nan 0.000 0.423 246 L N 2.959 124.292 121.223 0.184 0.000 2.325 246 L HA 0.634 4.974 4.340 0.000 0.000 0.278 246 L C -0.664 176.151 176.870 -0.093 0.000 1.023 246 L CA -1.112 53.712 54.840 -0.028 0.000 0.811 246 L CB 1.786 43.825 42.059 -0.034 0.000 1.249 246 L HN 0.298 nan 8.230 nan 0.000 0.431 247 V N 2.592 122.348 119.914 -0.263 0.000 2.448 247 V HA 0.445 4.565 4.120 0.000 0.000 0.295 247 V C -0.691 175.202 176.094 -0.334 0.000 1.025 247 V CA -0.441 61.767 62.300 -0.153 0.000 0.859 247 V CB 1.624 33.412 31.823 -0.060 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 4.328 124.265 119.950 -0.022 0.000 2.469 248 F HA 0.716 5.243 4.527 0.000 0.000 0.332 248 F C 0.554 176.373 175.800 0.031 0.000 1.103 248 F CA -0.688 57.297 58.000 -0.025 0.000 0.979 248 F CB 1.693 40.579 39.000 -0.190 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.147 121.804 120.500 0.262 0.000 2.803 249 R HA 0.758 5.098 4.340 0.000 0.000 0.276 249 R C -0.832 175.608 176.300 0.233 0.000 0.978 249 R CA -0.806 55.407 56.100 0.189 0.000 0.939 249 R CB 2.156 32.534 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.028 113.615 114.554 0.148 0.000 2.885 250 T HA 0.230 4.580 4.350 0.000 0.000 0.322 250 T C 0.005 174.721 174.700 0.027 0.000 1.387 250 T CA -0.403 61.776 62.100 0.132 0.000 1.041 250 T CB 1.434 70.408 68.868 0.177 0.000 1.287 250 T HN 0.452 nan 8.240 nan 0.000 0.491 251 S N 0.944 116.649 115.700 0.008 0.000 2.511 251 S HA 0.243 4.713 4.470 0.000 0.000 0.214 251 S C 0.408 174.925 174.600 -0.138 0.000 0.997 251 S CA -0.124 58.041 58.200 -0.059 0.000 0.908 251 S CB 0.359 63.550 63.200 -0.015 0.000 0.803 251 S HN 0.593 nan 8.310 nan 0.000 0.504 252 V N 3.798 123.664 119.914 -0.080 0.000 2.439 252 V HA 0.296 4.416 4.120 0.000 0.000 0.282 252 V C 0.031 176.060 176.094 -0.108 0.000 1.039 252 V CA -0.826 61.442 62.300 -0.053 0.000 0.913 252 V CB 0.639 32.491 31.823 0.049 0.000 0.983 252 V HN 0.413 nan 8.190 nan 0.000 0.460 253 H N 2.827 121.922 119.070 0.042 0.000 2.562 253 H HA 0.346 4.902 4.556 0.000 0.000 0.352 253 H C 1.264 176.606 175.328 0.024 0.000 1.125 253 H CA 0.827 56.893 56.048 0.030 0.000 1.379 253 H CB 1.387 31.159 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.659 111.543 108.800 0.140 0.000 2.176 254 G HA2 -0.240 3.720 3.960 0.000 0.000 0.252 254 G HA3 -0.240 3.720 3.960 0.000 0.000 0.252 254 G C 0.075 175.009 174.900 0.058 0.000 1.024 254 G CA -0.155 44.992 45.100 0.079 0.000 0.755 254 G HN 0.461 nan 8.290 nan 0.000 0.507 255 L N -0.052 121.209 121.223 0.062 0.000 2.326 255 L HA 0.580 4.920 4.340 0.000 0.000 0.278 255 L C 0.466 177.343 176.870 0.012 0.000 1.092 255 L CA -0.826 54.054 54.840 0.067 0.000 0.810 255 L CB 1.578 43.706 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.947 124.864 119.914 0.005 0.000 2.487 256 V HA 0.430 4.550 4.120 0.000 0.000 0.298 256 V C 0.013 176.049 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.786 62.300 -0.047 0.000 0.860 256 V CB 2.128 33.941 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.955 125.060 121.223 -0.197 0.000 2.317 257 L HA 0.808 5.149 4.340 0.000 0.000 0.281 257 L C 0.585 177.319 176.870 -0.227 0.000 1.024 257 L CA -0.321 54.342 54.840 -0.295 0.000 0.810 257 L CB 1.922 43.623 42.059 -0.596 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.750 110.441 108.800 -0.181 0.000 2.452 258 G HA2 0.770 4.730 3.960 0.000 0.000 0.324 258 G HA3 0.770 4.730 3.960 0.000 0.000 0.324 258 G C -1.389 173.426 174.900 -0.141 0.000 1.214 258 G CA -0.389 44.628 45.100 -0.139 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.155 123.893 122.820 -0.136 0.000 2.488 259 A HA 0.868 5.188 4.320 0.000 0.000 0.298 259 A C -0.457 177.051 177.584 -0.127 0.000 1.044 259 A CA -0.573 51.401 52.037 -0.105 0.000 0.693 259 A CB 1.864 20.804 19.000 -0.100 0.000 1.272 259 A HN 0.788 nan 8.150 nan 0.000 0.402 260 T N 2.426 116.913 114.554 -0.112 0.000 2.886 260 T HA 0.552 4.902 4.350 0.000 0.000 0.292 260 T C -0.583 173.954 174.700 -0.272 0.000 1.012 260 T CA -0.233 61.715 62.100 -0.252 0.000 0.982 260 T CB 1.122 69.762 68.868 -0.381 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.012 123.408 120.570 -0.290 0.000 2.359 261 I HA 0.403 4.573 4.170 0.000 0.000 0.294 261 I C -1.066 174.843 176.117 -0.347 0.000 0.987 261 I CA -0.791 60.402 61.300 -0.179 0.000 1.225 261 I CB 1.082 39.094 38.000 0.020 0.000 1.366 261 I HN 0.630 nan 8.210 nan 0.000 0.466 262 Y N 6.238 126.514 120.300 -0.039 0.000 2.364 262 Y HA 0.493 5.044 4.550 0.000 0.000 0.340 262 Y C -0.294 175.586 175.900 -0.033 0.000 0.975 262 Y CA -0.727 57.352 58.100 -0.036 0.000 1.089 262 Y CB 1.546 39.975 38.460 -0.050 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.263 126.555 121.223 0.115 0.000 2.287 263 L HA 0.462 4.802 4.340 0.000 0.000 0.287 263 L C -0.820 176.087 176.870 0.061 0.000 1.022 263 L CA -0.586 54.293 54.840 0.066 0.000 0.814 263 L CB 0.720 42.803 42.059 0.039 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.396 122.989 120.570 0.039 0.000 2.392 264 I HA 0.405 4.575 4.170 0.000 0.000 0.295 264 I C 0.901 177.030 176.117 0.019 0.000 0.985 264 I CA -0.224 61.088 61.300 0.020 0.000 1.221 264 I CB 1.427 39.422 38.000 -0.008 0.000 1.366 264 I HN 0.554 nan 8.210 nan 0.000 0.467 265 G N 3.290 112.102 108.800 0.020 0.000 2.562 265 G HA2 0.180 4.140 3.960 0.000 0.000 0.275 265 G HA3 0.180 4.140 3.960 0.000 0.000 0.275 265 G C 0.453 175.400 174.900 0.079 0.000 1.196 265 G CA -0.343 44.788 45.100 0.051 0.000 0.908 265 G HN 0.592 nan 8.290 nan 0.000 0.524 266 F N 0.693 120.624 119.950 -0.031 0.000 2.192 266 F HA -0.168 4.359 4.527 0.000 0.000 0.301 266 F C 2.162 177.875 175.800 -0.146 0.000 1.079 266 F CA 2.049 59.958 58.000 -0.152 0.000 1.303 266 F CB 0.241 39.027 39.000 -0.356 0.000 1.024 266 F HN 0.438 nan 8.300 nan 0.000 0.494 267 D N -1.047 119.342 120.400 -0.018 0.000 2.325 267 D HA 0.154 4.794 4.640 0.000 0.000 0.225 267 D C 1.780 178.052 176.300 -0.048 0.000 1.096 267 D CA 0.678 54.663 54.000 -0.025 0.000 0.844 267 D CB -0.589 40.362 40.800 0.252 0.000 0.925 267 D HN 0.399 nan 8.370 nan 0.000 0.513 268 G N -0.601 108.149 108.800 -0.083 0.000 2.184 268 G HA2 -0.279 3.681 3.960 0.000 0.000 0.264 268 G HA3 -0.279 3.681 3.960 0.000 0.000 0.264 268 G C 0.472 175.350 174.900 -0.038 0.000 0.975 268 G CA 0.493 45.549 45.100 -0.073 0.000 0.642 268 G HN 0.512 nan 8.290 nan 0.000 0.536 269 T N 1.677 116.230 114.554 -0.001 0.000 2.910 269 T HA 0.505 4.855 4.350 0.000 0.000 0.293 269 T C 0.713 175.419 174.700 0.010 0.000 1.015 269 T CA 0.627 62.734 62.100 0.013 0.000 1.094 269 T CB 0.835 69.733 68.868 0.051 0.000 0.968 269 T HN 0.196 nan 8.240 nan 0.000 0.521 270 T N 3.608 118.171 114.554 0.015 0.000 2.769 270 T HA 0.150 4.500 4.350 0.000 0.000 0.293 270 T C 1.463 176.190 174.700 0.045 0.000 0.931 270 T CA -0.475 61.654 62.100 0.047 0.000 1.139 270 T CB 0.699 69.620 68.868 0.088 0.000 0.881 270 T HN 0.363 nan 8.240 nan 0.000 0.532 271 V N 4.106 124.041 119.914 0.036 0.000 2.492 271 V HA 0.269 4.389 4.120 0.000 0.000 0.241 271 V C 0.708 176.817 176.094 0.024 0.000 1.041 271 V CA 0.913 63.219 62.300 0.010 0.000 1.057 271 V CB -0.029 31.783 31.823 -0.017 0.000 0.711 271 V HN 0.723 nan 8.190 nan 0.000 0.468 272 I N -0.370 120.224 120.570 0.040 0.000 2.619 272 I HA 0.432 4.602 4.170 0.000 0.000 0.292 272 I C -0.584 175.549 176.117 0.027 0.000 1.100 272 I CA -0.061 61.255 61.300 0.026 0.000 1.043 272 I CB 2.440 40.447 38.000 0.013 0.000 1.239 272 I HN 0.048 nan 8.210 nan 0.000 0.420 273 T N 5.696 120.240 114.554 -0.018 0.000 2.840 273 T HA 0.577 4.927 4.350 0.000 0.000 0.287 273 T C -1.001 173.597 174.700 -0.169 0.000 0.991 273 T CA -0.667 61.349 62.100 -0.140 0.000 0.964 273 T CB 0.695 69.524 68.868 -0.065 0.000 0.954 273 T HN 0.417 nan 8.240 nan 0.000 0.438 274 R N 3.322 123.680 120.500 -0.237 0.000 2.483 274 R HA 0.598 4.938 4.340 0.000 0.000 0.303 274 R C -0.284 175.892 176.300 -0.208 0.000 0.987 274 R CA -0.688 55.312 56.100 -0.168 0.000 0.881 274 R CB 1.538 31.779 30.300 -0.098 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.790 125.504 122.820 -0.176 0.000 2.491 275 A HA 0.189 4.509 4.320 0.000 0.000 0.261 275 A C 1.086 178.564 177.584 -0.176 0.000 1.101 275 A CA -0.186 51.748 52.037 -0.171 0.000 0.772 275 A CB 0.367 19.290 19.000 -0.129 0.000 1.043 275 A HN 0.525 nan 8.150 nan 0.000 0.501 276 V N 1.993 121.774 119.914 -0.223 0.000 2.949 276 V HA 0.350 4.470 4.120 0.000 0.000 0.245 276 V C 1.110 177.018 176.094 -0.310 0.000 1.086 276 V CA 1.703 63.808 62.300 -0.325 0.000 1.097 276 V CB -0.142 31.360 31.823 -0.536 0.000 0.762 276 V HN 1.190 nan 8.190 nan 0.000 0.470 277 A N -0.276 122.398 122.820 -0.243 0.000 2.485 277 A HA 0.818 5.139 4.320 0.000 0.000 0.285 277 A C -0.714 176.773 177.584 -0.161 0.000 1.045 277 A CA 0.209 52.128 52.037 -0.198 0.000 0.792 277 A CB 1.051 19.920 19.000 -0.217 0.000 1.307 277 A HN 0.411 nan 8.150 nan 0.000 0.406 278 A N 2.264 125.008 122.820 -0.126 0.000 2.337 278 A HA 0.790 5.110 4.320 0.000 0.000 0.331 278 A C 0.343 177.872 177.584 -0.091 0.000 1.137 278 A CA -0.119 51.857 52.037 -0.101 0.000 0.807 278 A CB 0.318 19.270 19.000 -0.080 0.000 1.250 278 A HN 2.299 nan 8.150 nan 0.000 0.468 279 N N 1.003 119.656 118.700 -0.079 0.000 2.558 279 N HA -0.226 4.515 4.740 0.000 0.000 0.302 279 N C -0.900 174.562 175.510 -0.079 0.000 1.322 279 N CA 1.034 54.044 53.050 -0.067 0.000 0.687 279 N CB -0.375 38.086 38.487 -0.044 0.000 0.992 279 N HN 0.775 nan 8.380 nan 0.000 0.524 280 N N 2.523 121.163 118.700 -0.100 0.000 2.621 280 N HA 0.310 5.050 4.740 0.000 0.000 0.271 280 N C -0.372 175.070 175.510 -0.114 0.000 1.181 280 N CA 0.146 53.128 53.050 -0.114 0.000 0.805 280 N CB 1.014 39.405 38.487 -0.160 0.000 1.351 280 N HN 0.580 nan 8.380 nan 0.000 0.539 281 G N 2.353 111.111 108.800 -0.071 0.000 2.398 281 G HA2 0.366 4.326 3.960 0.000 0.000 0.246 281 G HA3 0.366 4.326 3.960 0.000 0.000 0.246 281 G C -0.025 174.843 174.900 -0.054 0.000 1.289 281 G CA -0.117 44.953 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.901 123.097 121.223 -0.044 0.000 2.295 282 L HA 0.349 4.689 4.340 0.000 0.000 0.285 282 L C 0.431 177.307 176.870 0.009 0.000 1.035 282 L CA -0.701 54.121 54.840 -0.029 0.000 0.806 282 L CB 1.738 43.774 42.059 -0.039 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.679 115.244 114.554 0.018 0.000 2.882 283 T HA 0.222 4.572 4.350 0.000 0.000 0.287 283 T C 0.323 175.031 174.700 0.012 0.000 0.992 283 T CA -0.459 61.659 62.100 0.030 0.000 1.076 283 T CB 1.269 70.159 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.265 116.808 114.554 -0.017 0.000 2.919 284 T HA 0.421 4.771 4.350 0.000 0.000 0.302 284 T C 1.438 176.135 174.700 -0.005 0.000 1.031 284 T CA 0.686 62.741 62.100 -0.075 0.000 1.127 284 T CB 0.452 69.175 68.868 -0.242 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.842 111.643 108.800 0.001 0.000 2.203 285 G HA2 -0.232 3.728 3.960 0.000 0.000 0.263 285 G HA3 -0.232 3.728 3.960 0.000 0.000 0.263 285 G C 0.200 175.118 174.900 0.030 0.000 1.012 285 G CA 0.383 45.495 45.100 0.021 0.000 0.749 285 G HN 0.913 nan 8.290 nan 0.000 0.512 286 T N -0.228 114.347 114.554 0.036 0.000 2.883 286 T HA 0.489 4.839 4.350 0.000 0.000 0.301 286 T C -0.888 173.842 174.700 0.050 0.000 1.158 286 T CA -0.846 61.277 62.100 0.039 0.000 1.007 286 T CB 1.874 70.764 68.868 0.036 0.000 1.186 286 T HN 0.072 nan 8.240 nan 0.000 0.499 287 D N 2.214 122.642 120.400 0.046 0.000 2.425 287 D HA 0.174 4.814 4.640 0.000 0.000 0.247 287 D C -0.315 176.023 176.300 0.063 0.000 1.147 287 D CA 0.305 54.338 54.000 0.054 0.000 0.879 287 D CB 0.349 41.173 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.698 120.455 118.700 0.095 0.000 2.476 288 N HA 0.281 5.022 4.740 0.000 0.000 0.257 288 N C -0.597 174.997 175.510 0.140 0.000 0.970 288 N CA -0.478 52.631 53.050 0.099 0.000 0.938 288 N CB 1.284 39.826 38.487 0.093 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.732 123.009 121.223 0.090 0.000 2.326 289 L HA 0.460 4.800 4.340 0.000 0.000 0.278 289 L C 0.102 177.034 176.870 0.104 0.000 1.092 289 L CA -0.175 54.722 54.840 0.095 0.000 0.810 289 L CB 0.908 43.002 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.601 125.293 119.600 0.152 0.000 1.987 290 M HA 0.397 4.877 4.480 0.000 0.000 0.298 290 M C -2.617 173.755 176.300 0.120 0.000 0.892 290 M CA -1.608 53.758 55.300 0.110 0.000 0.885 290 M CB 1.600 34.338 32.600 0.230 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.323 nan 4.420 nan 0.000 0.276 291 P C -1.355 175.952 177.300 0.012 0.000 1.244 291 P CA -0.038 63.127 63.100 0.108 0.000 0.801 291 P CB 0.505 32.233 31.700 0.047 0.000 1.006 292 F N 1.330 121.295 119.950 0.024 0.000 2.427 292 F HA 0.370 4.898 4.527 0.000 0.000 0.348 292 F C 0.774 176.587 175.800 0.021 0.000 1.125 292 F CA -0.140 57.875 58.000 0.025 0.000 0.989 292 F CB 0.974 39.996 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.354 124.114 118.700 0.101 0.000 2.679 293 N HA 0.248 4.988 4.740 0.000 0.000 0.302 293 N C -1.124 174.423 175.510 0.062 0.000 1.941 293 N CA -0.054 53.041 53.050 0.076 0.000 0.875 293 N CB 1.124 39.630 38.487 0.033 0.000 1.278 293 N HN 0.436 nan 8.380 nan 0.000 0.490 294 L N 0.922 122.203 121.223 0.097 0.000 2.289 294 L HA 0.542 4.883 4.340 0.000 0.000 0.285 294 L C -0.038 176.880 176.870 0.080 0.000 1.049 294 L CA -0.787 54.098 54.840 0.075 0.000 0.804 294 L CB 1.738 43.853 42.059 0.093 0.000 1.195 294 L HN -0.204 nan 8.230 nan 0.000 0.428 295 V N 4.823 124.776 119.914 0.065 0.000 2.444 295 V HA 0.394 4.514 4.120 0.000 0.000 0.294 295 V C -0.256 175.876 176.094 0.065 0.000 1.022 295 V CA -0.378 61.971 62.300 0.081 0.000 0.850 295 V CB 2.125 33.994 31.823 0.076 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.516 129.131 120.570 0.076 0.000 2.328 296 I HA 0.422 4.592 4.170 0.000 0.000 0.287 296 I C -2.126 174.031 176.117 0.067 0.000 1.012 296 I CA -1.875 59.459 61.300 0.057 0.000 1.195 296 I CB 1.951 39.979 38.000 0.047 0.000 1.350 296 I HN 0.439 nan 8.210 nan 0.000 0.464 297 P HA 0.138 nan 4.420 nan 0.000 0.274 297 P C 0.642 177.967 177.300 0.042 0.000 1.231 297 P CA -0.227 62.900 63.100 0.045 0.000 0.790 297 P CB 0.805 32.522 31.700 0.028 0.000 0.951 298 T N 1.042 115.623 114.554 0.044 0.000 2.653 298 T HA -0.197 4.154 4.350 0.000 0.000 0.268 298 T C 1.609 176.324 174.700 0.025 0.000 1.035 298 T CA 2.108 64.232 62.100 0.039 0.000 1.154 298 T CB -0.911 67.983 68.868 0.043 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.367 120.080 118.700 0.023 0.000 2.443 299 N HA -0.153 4.587 4.740 0.000 0.000 0.184 299 N C 1.395 176.915 175.510 0.017 0.000 1.037 299 N CA 1.001 54.063 53.050 0.020 0.000 0.896 299 N CB -0.212 38.286 38.487 0.019 0.000 0.959 299 N HN 0.509 nan 8.380 nan 0.000 0.442 300 E N 0.194 120.403 120.200 0.016 0.000 2.371 300 E HA 0.153 4.503 4.350 0.000 0.000 0.194 300 E C 0.174 176.775 176.600 0.003 0.000 1.012 300 E CA 0.094 56.501 56.400 0.012 0.000 0.860 300 E CB 0.208 29.916 29.700 0.013 0.000 0.811 300 E HN 0.439 nan 8.360 nan 0.000 0.502 301 I N 2.353 122.923 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 0.000 0.000 0.297 301 I C 1.396 177.486 176.117 -0.045 0.000 1.143 301 I CA -0.056 61.231 61.300 -0.021 0.000 1.271 301 I CB 0.722 38.714 38.000 -0.013 0.000 1.461 301 I HN 0.035 nan 8.210 nan 0.000 0.530 302 T N 1.607 116.121 114.554 -0.067 0.000 3.055 302 T HA -0.000 4.350 4.350 0.000 0.000 0.265 302 T C 0.521 175.063 174.700 -0.263 0.000 1.111 302 T CA 0.286 62.337 62.100 -0.082 0.000 1.118 302 T CB -0.071 68.775 68.868 -0.037 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.576 119.008 119.800 -0.360 0.000 2.522 303 Q HA 0.549 4.889 4.340 0.000 0.000 0.285 303 Q C -3.481 172.394 176.000 -0.209 0.000 0.982 303 Q CA -2.563 52.899 55.803 -0.568 0.000 0.805 303 Q CB 0.812 28.738 28.738 -1.352 0.000 1.457 303 Q HN -0.121 nan 8.270 nan 0.000 0.394 304 P HA -0.020 nan 4.420 nan 0.000 0.261 304 P C -0.590 176.741 177.300 0.052 0.000 1.173 304 P CA 0.219 63.345 63.100 0.043 0.000 0.760 304 P CB 0.252 32.067 31.700 0.193 0.000 0.783 305 I N 3.136 123.728 120.570 0.037 0.000 2.441 305 I HA 0.075 4.245 4.170 0.000 0.000 0.287 305 I C 1.529 177.686 176.117 0.066 0.000 1.049 305 I CA 0.673 61.997 61.300 0.041 0.000 1.381 305 I CB 0.414 38.429 38.000 0.026 0.000 1.409 305 I HN 0.350 nan 8.210 nan 0.000 0.523 306 T N 3.277 117.869 114.554 0.063 0.000 2.955 306 T HA 0.129 4.479 4.350 0.000 0.000 0.251 306 T C 0.440 175.149 174.700 0.015 0.000 1.002 306 T CA 0.288 62.431 62.100 0.073 0.000 0.970 306 T CB 0.360 69.307 68.868 0.132 0.000 1.091 306 T HN 0.806 nan 8.240 nan 0.000 0.495 307 S N 0.105 115.803 115.700 -0.004 0.000 2.588 307 S HA 0.720 5.190 4.470 0.000 0.000 0.269 307 S C -1.491 173.102 174.600 -0.012 0.000 1.157 307 S CA -0.943 57.242 58.200 -0.026 0.000 0.824 307 S CB 1.842 65.029 63.200 -0.021 0.000 1.126 307 S HN 0.272 nan 8.310 nan 0.000 0.464 308 I N 1.219 121.787 120.570 -0.003 0.000 2.545 308 I HA 0.713 4.883 4.170 0.000 0.000 0.292 308 I C -1.332 174.774 176.117 -0.017 0.000 1.040 308 I CA -0.700 60.614 61.300 0.023 0.000 1.068 308 I CB 1.745 39.780 38.000 0.058 0.000 1.251 308 I HN 1.017 nan 8.210 nan 0.000 0.424 309 K N 6.355 126.707 120.400 -0.079 0.000 2.477 309 K HA 0.660 4.980 4.320 0.000 0.000 0.255 309 K C -2.028 174.396 176.600 -0.294 0.000 0.952 309 K CA -0.967 55.149 56.287 -0.285 0.000 0.826 309 K CB 2.437 34.841 32.500 -0.160 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.098 121.964 121.223 -0.595 0.000 2.349 310 L HA 0.437 4.777 4.340 0.000 0.000 0.278 310 L C -1.190 175.615 176.870 -0.108 0.000 0.996 310 L CA -0.003 54.659 54.840 -0.298 0.000 0.825 310 L CB 1.772 43.613 42.059 -0.363 0.000 1.243 310 L HN 0.778 nan 8.230 nan 0.000 0.412 311 E N 5.147 125.387 120.200 0.066 0.000 2.214 311 E HA 0.573 4.923 4.350 0.000 0.000 0.274 311 E C -1.138 175.507 176.600 0.075 0.000 0.977 311 E CA -0.612 55.848 56.400 0.100 0.000 0.827 311 E CB 2.328 32.153 29.700 0.208 0.000 1.130 311 E HN 0.541 nan 8.360 nan 0.000 0.394 312 I N 2.263 122.879 120.570 0.077 0.000 2.466 312 I HA 0.260 4.430 4.170 0.000 0.000 0.289 312 I C -0.787 175.343 176.117 0.022 0.000 1.026 312 I CA -1.006 60.311 61.300 0.029 0.000 1.078 312 I CB 1.905 39.935 38.000 0.050 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.209 124.110 119.914 -0.022 0.000 2.427 313 V HA 0.491 4.611 4.120 0.000 0.000 0.286 313 V C 0.026 176.106 176.094 -0.023 0.000 1.034 313 V CA -0.402 61.898 62.300 -0.000 0.000 0.893 313 V CB 1.480 33.305 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.686 118.265 114.554 0.042 0.000 2.809 314 T HA 0.658 5.008 4.350 0.000 0.000 0.284 314 T C -0.135 174.653 174.700 0.148 0.000 0.992 314 T CA -0.519 61.640 62.100 0.098 0.000 0.957 314 T CB 1.396 70.384 68.868 0.200 0.000 0.942 314 T HN 0.932 nan 8.240 nan 0.000 0.439 315 S N 2.616 118.395 115.700 0.132 0.000 2.627 315 S HA 0.783 5.253 4.470 0.000 0.000 0.283 315 S C -1.221 173.487 174.600 0.180 0.000 1.127 315 S CA -1.130 57.179 58.200 0.181 0.000 0.863 315 S CB 2.343 65.624 63.200 0.135 0.000 1.121 315 S HN 0.559 nan 8.310 nan 0.000 0.479 316 K N 0.167 120.704 120.400 0.230 0.000 2.316 316 K HA 0.567 4.887 4.320 0.000 0.000 0.251 316 K C 0.658 177.280 176.600 0.037 0.000 0.934 316 K CA -0.660 55.683 56.287 0.094 0.000 0.802 316 K CB 1.836 34.338 32.500 0.003 0.000 1.171 316 K HN 0.641 nan 8.250 nan 0.000 0.426 317 S N 1.236 116.940 115.700 0.007 0.000 2.354 317 S HA -0.165 4.305 4.470 0.000 0.000 0.219 317 S C 1.522 176.093 174.600 -0.049 0.000 1.035 317 S CA 1.611 59.809 58.200 -0.004 0.000 1.037 317 S CB -0.358 62.841 63.200 -0.001 0.000 0.956 317 S HN 0.889 nan 8.310 nan 0.000 0.428 318 G N 0.540 109.282 108.800 -0.097 0.000 2.707 318 G HA2 0.378 4.338 3.960 0.000 0.000 0.204 318 G HA3 0.378 4.338 3.960 0.000 0.000 0.204 318 G C 0.577 175.299 174.900 -0.296 0.000 1.435 318 G CA 0.424 45.439 45.100 -0.141 0.000 0.890 318 G HN 1.298 nan 8.290 nan 0.000 0.552 319 G N -2.399 106.101 108.800 -0.500 0.000 2.788 319 G HA2 0.296 4.256 3.960 0.000 0.000 0.686 319 G HA3 0.296 4.256 3.960 0.000 0.000 0.686 319 G C -0.762 173.845 174.900 -0.489 0.000 1.147 319 G CA 0.165 44.589 45.100 -1.127 0.000 0.755 319 G HN 0.718 nan 8.290 nan 0.000 0.634 320 Q N -0.497 119.132 119.800 -0.285 0.000 2.870 320 Q HA 0.795 5.135 4.340 0.000 0.000 0.366 320 Q C 1.499 177.620 176.000 0.203 0.000 0.738 320 Q CA 0.049 55.869 55.803 0.028 0.000 0.870 320 Q CB 0.619 29.348 28.738 -0.016 0.000 1.237 320 Q HN 1.480 nan 8.270 nan 0.000 0.497 321 A N 0.398 123.289 122.820 0.118 0.000 1.889 321 A HA 0.228 4.548 4.320 0.000 0.000 0.209 321 A C 0.855 178.507 177.584 0.114 0.000 1.315 321 A CA 1.466 53.568 52.037 0.108 0.000 0.611 321 A CB -1.265 17.770 19.000 0.059 0.000 0.950 321 A HN 0.509 nan 8.150 nan 0.000 0.477 322 G N -0.982 107.860 108.800 0.069 0.000 2.350 322 G HA2 0.456 4.416 3.960 0.000 0.000 0.306 322 G HA3 0.456 4.416 3.960 0.000 0.000 0.306 322 G C -0.573 174.360 174.900 0.055 0.000 1.094 322 G CA -0.047 45.087 45.100 0.057 0.000 0.953 322 G HN 0.323 nan 8.290 nan 0.000 0.420 323 D N 0.625 121.072 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 0.000 0.000 0.242 323 D C 0.346 176.678 176.300 0.052 0.000 1.106 323 D CA 0.185 54.220 54.000 0.057 0.000 0.854 323 D CB 0.353 41.184 40.800 0.051 0.000 1.192 323 D HN 0.342 nan 8.370 nan 0.000 0.503 324 Q N 0.774 120.605 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 0.000 0.000 0.262 324 Q C -0.344 175.676 176.000 0.034 0.000 1.328 324 Q CA 0.780 56.590 55.803 0.011 0.000 0.794 324 Q CB -1.422 27.305 28.738 -0.018 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.025 120.663 119.600 0.063 0.000 2.157 325 M HA 0.542 5.022 4.480 0.000 0.000 0.354 325 M C 0.277 176.630 176.300 0.087 0.000 1.170 325 M CA -0.436 54.950 55.300 0.143 0.000 1.060 325 M CB 1.805 34.574 32.600 0.282 0.000 1.615 325 M HN 0.485 nan 8.290 nan 0.000 0.460 326 S N 3.028 118.797 115.700 0.116 0.000 2.541 326 S HA 0.866 5.336 4.470 0.000 0.000 0.280 326 S C -1.461 173.273 174.600 0.223 0.000 1.112 326 S CA -0.837 57.387 58.200 0.041 0.000 0.925 326 S CB 1.742 64.916 63.200 -0.043 0.000 1.067 326 S HN 0.969 nan 8.310 nan 0.000 0.479 327 W N 0.185 121.670 121.300 0.308 0.000 3.118 327 W HA 0.722 5.382 4.660 0.000 0.000 0.328 327 W C -1.227 175.424 176.519 0.220 0.000 1.239 327 W CA -0.874 56.617 57.345 0.244 0.000 1.176 327 W CB 1.251 30.872 29.460 0.269 0.000 1.433 327 W HN 0.709 nan 8.180 nan 0.000 0.562 328 S N 1.054 117.111 115.700 0.596 0.000 2.509 328 S HA 0.807 5.278 4.470 0.000 0.000 0.297 328 S C -0.728 174.149 174.600 0.461 0.000 1.118 328 S CA -0.225 58.223 58.200 0.413 0.000 1.074 328 S CB 1.011 64.331 63.200 0.199 0.000 1.038 328 S HN 0.834 nan 8.310 nan 0.000 0.498 329 A N 4.461 127.500 122.820 0.365 0.000 2.414 329 A HA 0.871 5.191 4.320 0.000 0.000 0.306 329 A C -0.604 176.966 177.584 -0.024 0.000 1.054 329 A CA -0.782 51.236 52.037 -0.032 0.000 0.724 329 A CB 1.443 20.398 19.000 -0.074 0.000 1.267 329 A HN 0.746 nan 8.150 nan 0.000 0.418 330 R N 0.769 121.167 120.500 -0.171 0.000 2.651 330 R HA 0.683 5.023 4.340 0.000 0.000 0.278 330 R C -0.581 175.644 176.300 -0.124 0.000 1.010 330 R CA 0.336 56.385 56.100 -0.085 0.000 0.896 330 R CB 2.196 32.469 30.300 -0.045 0.000 1.211 330 R HN 2.070 nan 8.270 nan 0.000 0.456 331 G N 0.915 109.662 108.800 -0.088 0.000 2.333 331 G HA2 0.094 4.054 3.960 0.000 0.000 0.330 331 G HA3 0.094 4.054 3.960 0.000 0.000 0.330 331 G C -1.717 173.113 174.900 -0.116 0.000 1.465 331 G CA -0.642 44.403 45.100 -0.091 0.000 0.996 331 G HN 0.567 nan 8.290 nan 0.000 0.655 332 S N -0.542 115.085 115.700 -0.121 0.000 2.566 332 S HA 0.882 5.352 4.470 0.000 0.000 0.298 332 S C -0.282 174.202 174.600 -0.194 0.000 1.083 332 S CA -0.961 57.139 58.200 -0.167 0.000 0.978 332 S CB 2.089 65.210 63.200 -0.131 0.000 1.073 332 S HN 0.769 nan 8.310 nan 0.000 0.491 333 L N 0.912 121.981 121.223 -0.256 0.000 2.333 333 L HA 0.885 5.225 4.340 0.000 0.000 0.269 333 L C -0.265 176.515 176.870 -0.151 0.000 1.010 333 L CA -1.129 53.553 54.840 -0.263 0.000 0.818 333 L CB 1.787 43.606 42.059 -0.400 0.000 1.306 333 L HN 0.846 nan 8.230 nan 0.000 0.430 334 A N 1.680 124.448 122.820 -0.087 0.000 2.330 334 A HA 0.720 5.040 4.320 0.000 0.000 0.313 334 A C -0.892 176.698 177.584 0.009 0.000 1.124 334 A CA -0.471 51.549 52.037 -0.028 0.000 0.774 334 A CB 1.495 20.485 19.000 -0.017 0.000 1.198 334 A HN 0.369 nan 8.150 nan 0.000 0.465 335 V N 2.831 122.781 119.914 0.059 0.000 2.328 335 V HA 0.403 4.523 4.120 0.000 0.000 0.278 335 V C 0.109 176.252 176.094 0.082 0.000 1.021 335 V CA -0.224 62.132 62.300 0.093 0.000 0.838 335 V CB 1.181 33.094 31.823 0.149 0.000 0.999 335 V HN 0.871 nan 8.190 nan 0.000 0.447 336 T N 7.026 121.569 114.554 -0.019 0.000 2.743 336 T HA 0.485 4.835 4.350 0.000 0.000 0.292 336 T C -0.025 174.529 174.700 -0.243 0.000 0.972 336 T CA -0.150 61.878 62.100 -0.120 0.000 0.967 336 T CB 0.652 69.431 68.868 -0.149 0.000 0.926 336 T HN 0.616 nan 8.240 nan 0.000 0.459 337 I N 1.838 122.319 120.570 -0.148 0.000 2.312 337 I HA 0.407 4.577 4.170 0.000 0.000 0.290 337 I C -0.244 175.789 176.117 -0.140 0.000 1.008 337 I CA -0.805 60.405 61.300 -0.151 0.000 1.226 337 I CB 0.690 38.707 38.000 0.027 0.000 1.371 337 I HN 0.546 nan 8.210 nan 0.000 0.468 338 H N 5.350 124.446 119.070 0.043 0.000 2.886 338 H HA 0.131 4.687 4.556 0.000 0.000 0.329 338 H C 1.477 176.817 175.328 0.020 0.000 1.044 338 H CA 1.058 57.122 56.048 0.027 0.000 1.456 338 H CB 0.859 30.634 29.762 0.021 0.000 1.464 338 H HN 1.027 nan 8.280 nan 0.000 0.573 339 G N 2.683 111.564 108.800 0.134 0.000 2.200 339 G HA2 -0.355 3.605 3.960 0.000 0.000 0.267 339 G HA3 -0.355 3.605 3.960 0.000 0.000 0.267 339 G C 1.549 176.500 174.900 0.085 0.000 0.993 339 G CA 0.835 45.983 45.100 0.080 0.000 0.701 339 G HN 0.867 nan 8.290 nan 0.000 0.524 340 G N 0.114 108.953 108.800 0.065 0.000 2.432 340 G HA2 -0.186 3.774 3.960 0.000 0.000 0.219 340 G HA3 -0.186 3.774 3.960 0.000 0.000 0.219 340 G C 1.331 176.263 174.900 0.053 0.000 1.135 340 G CA 1.297 46.431 45.100 0.056 0.000 0.767 340 G HN 0.518 nan 8.290 nan 0.000 0.550 341 N N -0.856 117.869 118.700 0.041 0.000 2.336 341 N HA 0.060 4.800 4.740 0.000 0.000 0.189 341 N C -0.272 175.266 175.510 0.046 0.000 1.113 341 N CA -0.474 52.587 53.050 0.018 0.000 0.858 341 N CB -0.116 38.359 38.487 -0.020 0.000 0.970 341 N HN 0.429 nan 8.380 nan 0.000 0.471 342 Y N 2.703 122.985 120.300 -0.030 0.000 2.605 342 Y HA 0.140 4.690 4.550 0.000 0.000 0.336 342 Y C -2.104 173.772 175.900 -0.041 0.000 1.111 342 Y CA -2.008 56.069 58.100 -0.037 0.000 1.422 342 Y CB 0.494 38.924 38.460 -0.050 0.000 1.193 342 Y HN 0.004 nan 8.280 nan 0.000 0.526 343 P HA 0.080 nan 4.420 nan 0.000 0.260 343 P C 0.526 177.750 177.300 -0.126 0.000 1.185 343 P CA 1.941 64.894 63.100 -0.246 0.000 0.763 343 P CB 0.497 32.000 31.700 -0.329 0.000 0.776 344 G N 3.267 112.084 108.800 0.028 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 1.210 176.226 174.900 0.195 0.000 1.023 344 G CA 0.331 45.508 45.100 0.129 0.000 0.626 344 G HN 0.611 nan 8.290 nan 0.000 0.503 345 A N -0.205 122.713 122.820 0.163 0.000 1.969 345 A HA 0.539 4.859 4.320 0.000 0.000 0.218 345 A C 2.183 179.888 177.584 0.201 0.000 1.169 345 A CA 2.042 54.136 52.037 0.095 0.000 0.635 345 A CB -0.196 18.839 19.000 0.059 0.000 0.810 345 A HN 0.979 nan 8.150 nan 0.000 0.445 346 L N -3.781 117.544 121.223 0.170 0.000 3.316 346 L HA 0.202 4.542 4.340 0.000 0.000 0.300 346 L C 2.051 179.049 176.870 0.214 0.000 1.128 346 L CA 0.192 55.130 54.840 0.163 0.000 1.111 346 L CB 0.070 42.206 42.059 0.129 0.000 1.687 346 L HN 0.294 nan 8.230 nan 0.000 0.594 347 R N 1.738 122.333 120.500 0.159 0.000 2.072 347 R HA 0.079 4.420 4.340 0.000 0.000 0.221 347 R C -1.770 174.596 176.300 0.109 0.000 1.166 347 R CA 0.697 56.855 56.100 0.097 0.000 0.917 347 R CB -0.902 29.410 30.300 0.021 0.000 0.815 347 R HN 0.019 nan 8.270 nan 0.000 0.444 348 P HA 0.123 nan 4.420 nan 0.000 0.275 348 P C -1.303 176.110 177.300 0.189 0.000 1.227 348 P CA 0.140 63.289 63.100 0.081 0.000 0.781 348 P CB 1.510 33.235 31.700 0.043 0.000 0.906 349 V N 3.294 123.324 119.914 0.194 0.000 2.588 349 V HA 0.387 4.507 4.120 0.000 0.000 0.304 349 V C 0.079 176.249 176.094 0.126 0.000 1.042 349 V CA -0.290 62.118 62.300 0.179 0.000 0.877 349 V CB 2.240 34.188 31.823 0.209 0.000 0.996 349 V HN 0.467 nan 8.190 nan 0.000 0.425 350 T N 6.047 120.649 114.554 0.079 0.000 2.770 350 T HA 0.629 4.979 4.350 0.000 0.000 0.283 350 T C -0.610 174.123 174.700 0.054 0.000 0.988 350 T CA -0.279 61.877 62.100 0.094 0.000 0.957 350 T CB 0.911 69.857 68.868 0.131 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.102 125.330 121.223 0.008 0.000 2.295 351 L HA 0.554 4.895 4.340 0.000 0.000 0.285 351 L C -0.350 176.527 176.870 0.012 0.000 1.035 351 L CA -0.422 54.385 54.840 -0.056 0.000 0.806 351 L CB 1.686 43.680 42.059 -0.110 0.000 1.214 351 L HN 0.383 nan 8.230 nan 0.000 0.426 352 V N 3.410 123.341 119.914 0.028 0.000 2.326 352 V HA 0.751 4.871 4.120 0.000 0.000 0.281 352 V C 0.084 176.256 176.094 0.131 0.000 1.015 352 V CA -0.670 61.695 62.300 0.108 0.000 0.823 352 V CB 1.266 33.216 31.823 0.212 0.000 1.009 352 V HN 0.829 nan 8.190 nan 0.000 0.436 353 A N 5.567 128.461 122.820 0.123 0.000 2.317 353 A HA 0.916 5.236 4.320 0.000 0.000 0.327 353 A C -0.903 176.915 177.584 0.390 0.000 1.178 353 A CA -0.484 51.661 52.037 0.180 0.000 0.817 353 A CB 0.854 19.935 19.000 0.135 0.000 1.189 353 A HN 0.979 nan 8.150 nan 0.000 0.489 354 Y N -0.022 120.473 120.300 0.325 0.000 2.524 354 Y HA 0.795 5.345 4.550 0.000 0.000 0.344 354 Y C -0.313 175.653 175.900 0.110 0.000 1.012 354 Y CA -0.945 57.315 58.100 0.266 0.000 1.068 354 Y CB 1.363 39.917 38.460 0.157 0.000 1.249 354 Y HN 0.852 nan 8.280 nan 0.000 0.468 355 E N 0.801 121.014 120.200 0.022 0.000 2.430 355 E HA 0.565 4.915 4.350 0.000 0.000 0.279 355 E C -0.558 175.994 176.600 -0.081 0.000 1.003 355 E CA -1.287 55.007 56.400 -0.177 0.000 0.801 355 E CB 1.517 30.877 29.700 -0.567 0.000 1.313 355 E HN 0.580 nan 8.360 nan 0.000 0.459 356 R N -0.898 119.566 120.500 -0.059 0.000 3.989 356 R HA -0.103 4.237 4.340 0.000 0.000 0.377 356 R C -0.437 175.877 176.300 0.024 0.000 1.158 356 R CA 0.857 56.939 56.100 -0.029 0.000 1.035 356 R CB -2.824 27.442 30.300 -0.058 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.408 121.371 119.914 0.081 0.000 2.614 357 V HA 0.434 4.554 4.120 0.000 0.000 0.291 357 V C 1.453 177.582 176.094 0.057 0.000 1.049 357 V CA -0.036 62.311 62.300 0.077 0.000 1.038 357 V CB 1.529 33.416 31.823 0.107 0.000 0.980 357 V HN 0.366 nan 8.190 nan 0.000 0.481 358 A N 3.869 126.708 122.820 0.031 0.000 2.511 358 A HA 0.322 4.642 4.320 0.000 0.000 0.242 358 A C 0.766 178.368 177.584 0.031 0.000 1.069 358 A CA -0.004 52.048 52.037 0.024 0.000 0.763 358 A CB -0.302 18.706 19.000 0.013 0.000 1.001 358 A HN 0.866 nan 8.150 nan 0.000 0.498 359 T N 1.866 116.439 114.554 0.031 0.000 2.908 359 T HA 0.401 4.751 4.350 0.000 0.000 0.301 359 T C 1.543 176.259 174.700 0.026 0.000 1.019 359 T CA 1.611 63.733 62.100 0.036 0.000 1.152 359 T CB 0.409 69.293 68.868 0.027 0.000 0.966 359 T HN 2.025 nan 8.240 nan 0.000 0.540 360 G N 2.720 111.537 108.800 0.030 0.000 2.195 360 G HA2 -0.276 3.684 3.960 0.000 0.000 0.246 360 G HA3 -0.276 3.684 3.960 0.000 0.000 0.246 360 G C 0.378 175.283 174.900 0.009 0.000 0.984 360 G CA 0.112 45.223 45.100 0.019 0.000 0.633 360 G HN 1.133 nan 8.290 nan 0.000 0.525 361 S N -0.695 115.007 115.700 0.004 0.000 2.632 361 S HA 0.719 5.189 4.470 0.000 0.000 0.267 361 S C 0.147 174.726 174.600 -0.034 0.000 1.276 361 S CA -0.267 57.924 58.200 -0.014 0.000 0.998 361 S CB 2.493 65.683 63.200 -0.017 0.000 0.953 361 S HN 0.983 nan 8.310 nan 0.000 0.547 362 V N 1.903 121.789 119.914 -0.046 0.000 2.394 362 V HA 0.352 4.472 4.120 0.000 0.000 0.282 362 V C -0.263 175.768 176.094 -0.106 0.000 1.031 362 V CA -0.755 61.507 62.300 -0.063 0.000 0.881 362 V CB 1.308 33.108 31.823 -0.039 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.609 124.421 119.914 -0.169 0.000 2.364 363 V HA 0.311 4.431 4.120 0.000 0.000 0.272 363 V C 0.474 176.484 176.094 -0.139 0.000 1.036 363 V CA -0.090 62.078 62.300 -0.221 0.000 0.880 363 V CB 1.649 33.206 31.823 -0.444 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.282 119.790 114.554 -0.076 0.000 2.767 364 T HA 0.533 4.883 4.350 0.000 0.000 0.288 364 T C -0.233 174.476 174.700 0.015 0.000 0.963 364 T CA -0.272 61.815 62.100 -0.022 0.000 1.019 364 T CB 1.418 70.278 68.868 -0.014 0.000 0.923 364 T HN 0.333 nan 8.240 nan 0.000 0.468 365 V N 2.650 122.603 119.914 0.066 0.000 2.459 365 V HA 0.835 4.955 4.120 0.000 0.000 0.295 365 V C -0.091 176.070 176.094 0.112 0.000 1.029 365 V CA -0.818 61.560 62.300 0.129 0.000 0.874 365 V CB 1.415 33.375 31.823 0.230 0.000 0.985 365 V HN 1.070 nan 8.190 nan 0.000 0.438 366 A N 3.399 126.263 122.820 0.073 0.000 2.427 366 A HA 0.971 5.291 4.320 0.000 0.000 0.298 366 A C -0.170 177.424 177.584 0.016 0.000 1.036 366 A CA -0.012 52.050 52.037 0.041 0.000 0.701 366 A CB 1.893 20.903 19.000 0.016 0.000 1.250 366 A HN 1.211 nan 8.150 nan 0.000 0.412 367 G N -0.318 108.495 108.800 0.023 0.000 2.690 367 G HA2 0.637 4.597 3.960 0.000 0.000 0.291 367 G HA3 0.637 4.597 3.960 0.000 0.000 0.291 367 G C -1.782 173.123 174.900 0.008 0.000 1.403 367 G CA -0.557 44.536 45.100 -0.013 0.000 0.864 367 G HN 1.127 nan 8.290 nan 0.000 0.480 368 V N 0.271 120.176 119.914 -0.015 0.000 2.638 368 V HA 0.689 4.809 4.120 0.000 0.000 0.306 368 V C -0.257 175.819 176.094 -0.030 0.000 1.052 368 V CA -0.708 61.593 62.300 0.002 0.000 0.885 368 V CB 1.912 33.734 31.823 -0.000 0.000 0.999 368 V HN 0.758 nan 8.190 nan 0.000 0.424 369 S N 4.089 119.781 115.700 -0.014 0.000 2.482 369 S HA 0.582 5.052 4.470 0.000 0.000 0.303 369 S C -0.647 173.760 174.600 -0.321 0.000 1.091 369 S CA -0.811 57.282 58.200 -0.178 0.000 1.057 369 S CB 1.192 64.359 63.200 -0.055 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.704 120.086 118.700 -0.529 0.000 2.321 370 N HA 0.609 5.349 4.740 0.000 0.000 0.299 370 N C -1.503 173.643 175.510 -0.606 0.000 1.048 370 N CA -0.228 52.602 53.050 -0.366 0.000 0.836 370 N CB 1.402 39.806 38.487 -0.138 0.000 1.269 370 N HN 0.404 nan 8.380 nan 0.000 0.486 371 F N 0.018 119.987 119.950 0.032 0.000 2.576 371 F HA 0.335 4.862 4.527 0.000 0.000 0.313 371 F C 0.498 176.304 175.800 0.010 0.000 1.078 371 F CA -0.876 57.125 58.000 0.002 0.000 0.921 371 F CB 1.896 40.869 39.000 -0.044 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.951 123.256 120.200 0.175 0.000 2.227 372 E HA 0.606 4.956 4.350 0.000 0.000 0.282 372 E C -1.154 175.579 176.600 0.221 0.000 1.015 372 E CA -0.430 56.054 56.400 0.141 0.000 0.823 372 E CB 1.565 31.163 29.700 -0.169 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.693 125.072 121.223 0.260 0.000 2.388 373 L HA 0.555 4.895 4.340 0.000 0.000 0.264 373 L C -0.658 176.386 176.870 0.291 0.000 0.998 373 L CA -0.820 54.111 54.840 0.152 0.000 0.817 373 L CB 1.861 43.684 42.059 -0.394 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.427 124.199 120.570 0.337 0.000 2.362 374 I HA 0.355 4.526 4.170 0.000 0.000 0.289 374 I C -2.215 174.138 176.117 0.393 0.000 0.994 374 I CA -2.008 59.467 61.300 0.291 0.000 1.158 374 I CB 1.978 40.093 38.000 0.191 0.000 1.315 374 I HN 0.246 nan 8.210 nan 0.000 0.451 375 P HA 0.061 nan 4.420 nan 0.000 0.272 375 P C -0.987 176.349 177.300 0.060 0.000 1.223 375 P CA -0.350 62.845 63.100 0.158 0.000 0.784 375 P CB 0.282 32.015 31.700 0.056 0.000 0.923 376 N N 2.419 121.086 118.700 -0.056 0.000 2.354 376 N HA 0.078 4.818 4.740 0.000 0.000 0.246 376 N C -1.974 173.517 175.510 -0.032 0.000 1.285 376 N CA -1.601 51.426 53.050 -0.037 0.000 0.925 376 N CB -1.370 37.070 38.487 -0.077 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.160 nan 4.420 nan 0.000 0.216 377 P C 0.980 178.264 177.300 -0.027 0.000 1.150 377 P CA 1.502 64.593 63.100 -0.014 0.000 0.843 377 P CB 0.199 31.893 31.700 -0.010 0.000 0.787 378 E N -0.944 119.232 120.200 -0.042 0.000 2.072 378 E HA -0.104 4.246 4.350 0.000 0.000 0.190 378 E C 1.763 178.331 176.600 -0.053 0.000 0.982 378 E CA 0.744 57.118 56.400 -0.044 0.000 0.803 378 E CB -1.042 28.630 29.700 -0.047 0.000 0.755 378 E HN 0.016 nan 8.360 nan 0.000 0.453 379 L N -0.027 121.148 121.223 -0.081 0.000 2.156 379 L HA 0.112 4.452 4.340 0.000 0.000 0.208 379 L C 2.033 178.873 176.870 -0.051 0.000 1.095 379 L CA 1.485 56.269 54.840 -0.093 0.000 0.770 379 L CB -0.668 41.276 42.059 -0.192 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.894 121.905 122.820 -0.035 0.000 2.131 380 A HA -0.225 4.095 4.320 0.000 0.000 0.220 380 A C 2.178 179.755 177.584 -0.011 0.000 1.158 380 A CA 1.519 53.550 52.037 -0.010 0.000 0.665 380 A CB -0.521 18.478 19.000 -0.002 0.000 0.795 380 A HN 0.474 nan 8.150 nan 0.000 0.460 381 K N -0.786 119.604 120.400 -0.017 0.000 2.366 381 K HA 0.016 4.336 4.320 0.000 0.000 0.198 381 K C 0.374 176.968 176.600 -0.010 0.000 1.044 381 K CA 0.846 57.125 56.287 -0.013 0.000 0.973 381 K CB 0.056 32.547 32.500 -0.015 0.000 0.767 381 K HN 0.389 nan 8.250 nan 0.000 0.475 382 N N -0.160 118.534 118.700 -0.010 0.000 2.118 382 N HA 0.047 4.787 4.740 0.000 0.000 0.226 382 N C -1.012 174.501 175.510 0.004 0.000 1.305 382 N CA -0.048 52.999 53.050 -0.004 0.000 0.890 382 N CB 1.076 39.558 38.487 -0.007 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.503 123.730 121.223 0.008 0.000 2.318 383 L HA 0.441 4.781 4.340 0.000 0.000 0.277 383 L C -0.312 176.570 176.870 0.021 0.000 1.008 383 L CA -0.567 54.291 54.840 0.029 0.000 0.846 383 L CB 1.229 43.318 42.059 0.051 0.000 1.220 383 L HN -0.277 nan 8.230 nan 0.000 0.423 384 V N 4.113 124.035 119.914 0.013 0.000 2.585 384 V HA 0.247 4.367 4.120 0.000 0.000 0.296 384 V C 0.841 176.925 176.094 -0.017 0.000 1.035 384 V CA 0.009 62.306 62.300 -0.006 0.000 1.084 384 V CB 1.256 33.075 31.823 -0.007 0.000 0.953 384 V HN 0.909 nan 8.190 nan 0.000 0.483 385 T N 2.486 117.009 114.554 -0.050 0.000 2.912 385 T HA 0.812 5.162 4.350 0.000 0.000 0.288 385 T C -0.760 173.839 174.700 -0.169 0.000 1.030 385 T CA -0.903 61.139 62.100 -0.097 0.000 1.020 385 T CB 2.296 71.109 68.868 -0.091 0.000 1.056 385 T HN 0.678 nan 8.240 nan 0.000 0.480 386 E N 0.155 120.206 120.200 -0.249 0.000 2.408 386 E HA 0.359 4.709 4.350 0.000 0.000 0.275 386 E C -1.279 175.114 176.600 -0.345 0.000 0.935 386 E CA -0.977 55.270 56.400 -0.255 0.000 0.775 386 E CB 1.840 31.459 29.700 -0.135 0.000 1.277 386 E HN 0.651 nan 8.360 nan 0.000 0.455 387 Y N 0.502 120.760 120.300 -0.070 0.000 2.480 387 Y HA 0.231 4.781 4.550 0.000 0.000 0.338 387 Y C 1.431 177.327 175.900 -0.007 0.000 1.220 387 Y CA 0.192 58.291 58.100 -0.001 0.000 1.430 387 Y CB 0.525 39.000 38.460 0.026 0.000 1.311 387 Y HN 0.606 nan 8.280 nan 0.000 0.575 388 G N 2.812 111.797 108.800 0.309 0.000 2.559 388 G HA2 0.064 4.024 3.960 0.000 0.000 0.235 388 G HA3 0.064 4.024 3.960 0.000 0.000 0.235 388 G C -0.215 174.802 174.900 0.196 0.000 1.266 388 G CA -0.885 44.370 45.100 0.258 0.000 0.847 388 G HN 0.436 nan 8.290 nan 0.000 0.583 389 R N -0.126 120.465 120.500 0.151 0.000 2.538 389 R HA -0.012 4.328 4.340 0.000 0.000 0.282 389 R C -0.324 176.085 176.300 0.182 0.000 1.009 389 R CA -0.433 55.751 56.100 0.141 0.000 1.063 389 R CB 0.003 30.358 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.860 124.829 119.950 0.033 0.000 2.421 390 F HA 0.167 4.694 4.527 0.000 0.000 0.358 390 F C -0.344 175.464 175.800 0.013 0.000 1.115 390 F CA -1.395 56.615 58.000 0.017 0.000 1.160 390 F CB 0.460 39.464 39.000 0.006 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.076 128.170 120.400 -0.510 0.000 2.620 391 D HA 0.323 4.963 4.640 0.000 0.000 0.252 391 D C -3.289 172.594 176.300 -0.695 0.000 1.207 391 D CA -2.041 51.546 54.000 -0.689 0.000 0.884 391 D CB 1.740 42.361 40.800 -0.298 0.000 1.262 391 D HN 0.216 nan 8.370 nan 0.000 0.552 392 P HA 0.284 nan 4.420 nan 0.000 0.274 392 P C 1.011 178.201 177.300 -0.184 0.000 1.231 392 P CA 0.442 63.302 63.100 -0.401 0.000 0.790 392 P CB 1.085 32.635 31.700 -0.249 0.000 0.951 393 G N 1.400 110.162 108.800 -0.063 0.000 2.205 393 G HA2 -0.356 3.604 3.960 0.000 0.000 0.261 393 G HA3 -0.356 3.604 3.960 0.000 0.000 0.261 393 G C 1.124 176.047 174.900 0.039 0.000 0.980 393 G CA 0.713 45.814 45.100 0.000 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.492 122.320 122.820 -0.013 0.000 1.877 394 A HA 0.203 4.523 4.320 0.000 0.000 0.216 394 A C 2.272 179.921 177.584 0.108 0.000 1.186 394 A CA 2.828 54.895 52.037 0.050 0.000 0.620 394 A CB -0.368 18.627 19.000 -0.009 0.000 0.822 394 A HN 1.150 nan 8.150 nan 0.000 0.443 395 M N 0.842 120.456 119.600 0.024 0.000 2.132 395 M HA -0.079 4.401 4.480 0.000 0.000 0.263 395 M C 1.543 177.893 176.300 0.083 0.000 1.065 395 M CA 1.728 57.036 55.300 0.013 0.000 1.122 395 M CB -0.954 31.622 32.600 -0.041 0.000 1.365 395 M HN 0.512 nan 8.290 nan 0.000 0.411 396 N N -1.316 117.438 118.700 0.090 0.000 2.166 396 N HA -0.218 4.522 4.740 0.000 0.000 0.186 396 N C 1.734 177.323 175.510 0.130 0.000 1.019 396 N CA 1.616 54.724 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 0.429 nan 8.380 nan 0.000 0.426 397 Y N 2.335 122.667 120.300 0.053 0.000 2.200 397 Y HA -0.159 4.392 4.550 0.000 0.000 0.290 397 Y C 2.524 178.481 175.900 0.096 0.000 1.137 397 Y CA 1.405 59.547 58.100 0.070 0.000 1.163 397 Y CB -0.467 38.036 38.460 0.071 0.000 0.988 397 Y HN -0.034 nan 8.280 nan 0.000 0.518 398 T N 0.191 114.876 114.554 0.219 0.000 2.708 398 T HA -0.201 4.149 4.350 0.000 0.000 0.266 398 T C 1.799 176.563 174.700 0.106 0.000 1.037 398 T CA 1.910 64.128 62.100 0.196 0.000 1.146 398 T CB -0.197 68.861 68.868 0.318 0.000 0.865 398 T HN 0.267 nan 8.240 nan 0.000 0.435 399 K N 0.380 120.837 120.400 0.094 0.000 2.097 399 K HA -0.010 4.310 4.320 0.000 0.000 0.206 399 K C 2.198 178.800 176.600 0.003 0.000 1.049 399 K CA 0.840 57.164 56.287 0.063 0.000 0.933 399 K CB -0.343 32.194 32.500 0.062 0.000 0.717 399 K HN 0.137 nan 8.250 nan 0.000 0.442 400 L N 1.314 122.510 121.223 -0.045 0.000 1.994 400 L HA -0.176 4.164 4.340 0.000 0.000 0.208 400 L C 1.899 178.692 176.870 -0.127 0.000 1.071 400 L CA 1.580 56.362 54.840 -0.096 0.000 0.745 400 L CB -0.374 41.593 42.059 -0.154 0.000 0.892 400 L HN 0.082 nan 8.230 nan 0.000 0.431 401 I N -0.289 120.161 120.570 -0.200 0.000 2.127 401 I HA -0.317 3.853 4.170 0.000 0.000 0.241 401 I C 2.598 178.681 176.117 -0.057 0.000 1.075 401 I CA 1.653 62.860 61.300 -0.155 0.000 1.334 401 I CB -1.267 36.634 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.034 121.243 121.223 -0.022 0.000 2.093 402 L HA -0.184 4.156 4.340 0.000 0.000 0.208 402 L C 2.699 179.558 176.870 -0.019 0.000 1.085 402 L CA 1.406 56.243 54.840 -0.005 0.000 0.755 402 L CB -0.609 41.467 42.059 0.028 0.000 0.904 402 L HN 0.276 nan 8.230 nan 0.000 0.435 403 S N -0.224 115.464 115.700 -0.020 0.000 2.400 403 S HA -0.164 4.306 4.470 0.000 0.000 0.232 403 S C 1.520 176.105 174.600 -0.025 0.000 1.025 403 S CA 1.198 59.385 58.200 -0.021 0.000 0.993 403 S CB -0.074 63.116 63.200 -0.018 0.000 0.808 403 S HN 0.402 nan 8.310 nan 0.000 0.478 404 E N 0.632 120.815 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 0.000 0.000 0.199 404 E C 1.531 178.118 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.116 56.400 -0.023 0.000 0.933 404 E CB -0.011 29.678 29.700 -0.019 0.000 1.050 404 E HN 0.505 nan 8.360 nan 0.000 0.462 405 R N 1.470 121.951 120.500 -0.032 0.000 2.112 405 R HA -0.200 4.141 4.340 0.000 0.000 0.242 405 R C 0.896 177.159 176.300 -0.062 0.000 1.137 405 R CA 1.870 57.944 56.100 -0.044 0.000 0.944 405 R CB 0.106 30.374 30.300 -0.053 0.000 0.857 405 R HN 0.086 nan 8.270 nan 0.000 0.435 406 D N -0.264 120.099 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 0.000 0.000 0.201 406 D C 2.026 178.293 176.300 -0.056 0.000 0.972 406 D CA 1.415 55.371 54.000 -0.073 0.000 0.835 406 D CB -0.219 40.542 40.800 -0.065 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.782 121.264 120.500 -0.031 0.000 2.148 407 R HA 0.019 4.359 4.340 0.000 0.000 0.223 407 R C 1.996 178.299 176.300 0.006 0.000 1.088 407 R CA 0.776 56.868 56.100 -0.013 0.000 0.985 407 R CB -0.429 29.870 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.336 121.568 121.223 0.015 0.000 2.446 408 L HA 0.279 4.619 4.340 0.000 0.000 0.219 408 L C 0.910 177.804 176.870 0.039 0.000 1.116 408 L CA 0.512 55.394 54.840 0.070 0.000 0.844 408 L CB 0.008 42.131 42.059 0.106 0.000 0.970 408 L HN 0.628 nan 8.230 nan 0.000 0.457 409 G N 1.536 110.299 108.800 -0.061 0.000 2.272 409 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 409 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 409 G C 0.035 174.737 174.900 -0.329 0.000 1.067 409 G CA -0.202 44.793 45.100 -0.175 0.000 0.902 409 G HN 0.300 nan 8.290 nan 0.000 0.500 410 I N 0.817 121.237 120.570 -0.251 0.000 2.294 410 I HA 0.212 4.382 4.170 0.000 0.000 0.295 410 I C 0.913 176.811 176.117 -0.365 0.000 1.098 410 I CA -0.042 61.105 61.300 -0.255 0.000 1.277 410 I CB 0.439 38.393 38.000 -0.076 0.000 1.434 410 I HN 0.084 nan 8.210 nan 0.000 0.498 411 K N 3.373 123.289 120.400 -0.808 0.000 2.087 411 K HA 0.335 4.655 4.320 0.000 0.000 0.255 411 K C 1.148 177.514 176.600 -0.390 0.000 0.988 411 K CA -0.460 55.309 56.287 -0.864 0.000 0.915 411 K CB 1.232 32.771 32.500 -1.602 0.000 1.043 411 K HN 0.560 nan 8.250 nan 0.000 0.457 412 T N -3.108 111.290 114.554 -0.260 0.000 3.051 412 T HA 0.045 4.395 4.350 0.000 0.000 0.255 412 T C 0.689 175.366 174.700 -0.039 0.000 1.085 412 T CA -0.110 61.947 62.100 -0.072 0.000 1.109 412 T CB -0.139 68.693 68.868 -0.060 0.000 0.921 412 T HN 0.372 nan 8.240 nan 0.000 0.488 413 V N -1.704 118.109 119.914 -0.168 0.000 2.577 413 V HA 0.811 4.931 4.120 0.000 0.000 0.303 413 V C -1.806 174.201 176.094 -0.145 0.000 1.042 413 V CA -1.754 60.513 62.300 -0.056 0.000 0.872 413 V CB 0.892 32.692 31.823 -0.037 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.585 124.840 121.300 -0.074 0.000 2.844 414 W HA 0.734 5.395 4.660 0.000 0.000 0.340 414 W C -2.718 173.800 176.519 -0.002 0.000 1.093 414 W CA -2.509 54.817 57.345 -0.031 0.000 1.212 414 W CB 1.809 31.269 29.460 0.001 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.075 nan 4.420 nan 0.000 0.271 415 P C 0.839 178.289 177.300 0.250 0.000 1.226 415 P CA 0.378 63.599 63.100 0.202 0.000 0.765 415 P CB 0.822 32.616 31.700 0.156 0.000 0.835 416 T N 2.800 117.459 114.554 0.176 0.000 2.699 416 T HA -0.235 4.115 4.350 0.000 0.000 0.268 416 T C 1.770 176.574 174.700 0.173 0.000 1.036 416 T CA 1.766 63.961 62.100 0.158 0.000 1.147 416 T CB -0.350 68.575 68.868 0.096 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.472 122.057 120.500 0.141 0.000 2.091 417 R HA -0.100 4.240 4.340 0.000 0.000 0.238 417 R C 2.114 178.501 176.300 0.145 0.000 1.136 417 R CA 1.851 58.023 56.100 0.119 0.000 0.959 417 R CB -0.388 29.969 30.300 0.095 0.000 0.856 417 R HN 0.475 nan 8.270 nan 0.000 0.437 418 E N -1.175 119.151 120.200 0.210 0.000 2.152 418 E HA -0.203 4.147 4.350 0.000 0.000 0.192 418 E C 1.577 178.363 176.600 0.310 0.000 0.983 418 E CA 1.145 57.712 56.400 0.277 0.000 0.818 418 E CB -0.205 29.702 29.700 0.344 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.534 121.880 120.300 0.076 0.000 2.220 419 Y HA -0.180 4.370 4.550 0.000 0.000 0.291 419 Y C 2.356 178.161 175.900 -0.159 0.000 1.129 419 Y CA 1.631 59.486 58.100 -0.409 0.000 1.161 419 Y CB -0.334 37.733 38.460 -0.655 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.422 114.942 114.554 -0.057 0.000 2.684 420 T HA -0.187 4.163 4.350 0.000 0.000 0.267 420 T C 1.328 175.980 174.700 -0.080 0.000 1.036 420 T CA 1.756 63.803 62.100 -0.088 0.000 1.148 420 T CB -0.394 68.486 68.868 0.021 0.000 0.863 420 T HN 0.357 nan 8.240 nan 0.000 0.436 421 D N 0.448 120.856 120.400 0.013 0.000 2.123 421 D HA -0.067 4.573 4.640 0.000 0.000 0.196 421 D C 1.665 178.013 176.300 0.080 0.000 0.992 421 D CA 0.739 54.773 54.000 0.058 0.000 0.833 421 D CB -0.503 40.355 40.800 0.097 0.000 0.954 421 D HN 0.366 nan 8.370 nan 0.000 0.455 422 F N 1.799 121.693 119.950 -0.093 0.000 2.095 422 F HA -0.158 4.369 4.527 0.000 0.000 0.298 422 F C 2.283 178.039 175.800 -0.074 0.000 1.104 422 F CA 1.445 59.404 58.000 -0.069 0.000 1.232 422 F CB -0.084 38.795 39.000 -0.203 0.000 0.987 422 F HN -0.204 nan 8.300 nan 0.000 0.475 423 R N 0.368 120.650 120.500 -0.363 0.000 2.096 423 R HA -0.241 4.099 4.340 0.000 0.000 0.240 423 R C 2.364 178.536 176.300 -0.212 0.000 1.139 423 R CA 2.170 58.064 56.100 -0.345 0.000 0.952 423 R CB -0.789 29.305 30.300 -0.343 0.000 0.854 423 R HN 0.636 nan 8.270 nan 0.000 0.436 424 E N -0.607 119.509 120.200 -0.139 0.000 2.216 424 E HA -0.203 4.148 4.350 0.000 0.000 0.192 424 E C 1.646 178.195 176.600 -0.085 0.000 0.988 424 E CA 0.786 57.123 56.400 -0.104 0.000 0.834 424 E CB -0.293 29.372 29.700 -0.057 0.000 0.772 424 E HN 0.414 nan 8.360 nan 0.000 0.479 425 Y N 1.088 121.294 120.300 -0.156 0.000 2.130 425 Y HA -0.030 4.520 4.550 0.000 0.000 0.287 425 Y C 1.112 176.928 175.900 -0.140 0.000 1.124 425 Y CA 0.962 58.995 58.100 -0.112 0.000 1.118 425 Y CB -0.260 38.176 38.460 -0.040 0.000 0.994 425 Y HN 0.092 nan 8.280 nan 0.000 0.497 426 F N 0.502 120.284 119.950 -0.279 0.000 2.521 426 F HA -0.005 4.522 4.527 0.000 0.000 0.298 426 F C 1.017 176.639 175.800 -0.296 0.000 1.289 426 F CA 0.196 57.974 58.000 -0.370 0.000 1.315 426 F CB 0.197 38.778 39.000 -0.699 0.000 1.257 426 F HN 0.133 nan 8.300 nan 0.000 0.541 427 M N 2.132 120.767 119.600 -1.607 0.000 2.212 427 M HA -0.258 4.222 4.480 0.000 0.000 0.193 427 M C 0.276 176.261 176.300 -0.525 0.000 0.493 427 M CA 0.763 55.431 55.300 -1.052 0.000 0.427 427 M CB -1.114 31.084 32.600 -0.670 0.000 1.120 427 M HN 0.806 nan 8.290 nan 0.000 0.929 428 E N -1.085 118.840 120.200 -0.458 0.000 2.474 428 E HA 0.182 4.532 4.350 0.000 0.000 0.195 428 E C -0.033 176.420 176.600 -0.245 0.000 1.039 428 E CA 0.134 56.353 56.400 -0.302 0.000 0.881 428 E CB 0.701 30.231 29.700 -0.283 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.915 120.666 119.914 -0.273 0.000 2.483 429 V HA 0.574 4.694 4.120 0.000 0.000 0.297 429 V C -0.662 175.312 176.094 -0.199 0.000 1.027 429 V CA -0.606 61.572 62.300 -0.203 0.000 0.855 429 V CB 1.623 33.346 31.823 -0.168 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.063 125.794 122.820 -0.149 0.000 2.839 430 A HA 0.469 4.789 4.320 0.000 0.000 0.303 430 A C -0.406 177.124 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.656 52.037 -0.119 0.000 0.808 430 A CB 0.575 19.503 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.367 122.719 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 0.000 0.000 0.236 431 D C 1.154 177.423 176.300 -0.053 0.000 1.233 431 D CA 0.308 54.267 54.000 -0.068 0.000 0.829 431 D CB -0.486 40.272 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.491 119.703 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 0.000 0.000 0.053 432 L C 0.617 177.466 176.870 -0.035 0.000 2.741 432 L CA 1.244 56.061 54.840 -0.037 0.000 1.500 432 L CB -1.648 40.392 42.059 -0.033 0.000 2.928 432 L HN 0.283 nan 8.230 nan 0.000 1.023 433 N N -0.387 118.295 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 4.740 0.000 0.000 0.231 433 N C -0.378 175.117 175.510 -0.025 0.000 1.385 433 N CA 0.456 53.489 53.050 -0.028 0.000 0.790 433 N CB 0.490 38.963 38.487 -0.023 0.000 1.563 433 N HN 1.151 nan 8.380 nan 0.000 0.613 434 S N 1.051 116.735 115.700 -0.027 0.000 2.563 434 S HA 0.501 4.971 4.470 0.000 0.000 0.269 434 S C -1.248 173.340 174.600 -0.019 0.000 1.364 434 S CA -0.506 57.680 58.200 -0.024 0.000 1.010 434 S CB -0.717 62.467 63.200 -0.026 0.000 0.877 434 S HN 0.585 nan 8.310 nan 0.000 0.549 435 P HA -0.094 nan 4.420 nan 0.000 0.041 435 P C 0.189 177.482 177.300 -0.012 0.000 0.590 435 P CA 0.556 63.648 63.100 -0.014 0.000 1.019 435 P CB -0.688 31.005 31.700 -0.013 0.000 1.776 436 L N 0.556 121.772 121.223 -0.012 0.000 2.127 436 L HA -0.106 4.234 4.340 0.000 0.000 0.203 436 L C 2.682 179.547 176.870 -0.009 0.000 1.080 436 L CA 1.640 56.474 54.840 -0.010 0.000 0.768 436 L CB -1.042 41.011 42.059 -0.010 0.000 0.924 436 L HN 0.070 nan 8.230 nan 0.000 0.444 437 K N 0.944 121.338 120.400 -0.010 0.000 2.362 437 K HA -0.115 4.205 4.320 0.000 0.000 0.202 437 K C 1.523 178.119 176.600 -0.008 0.000 1.045 437 K CA 1.989 58.271 56.287 -0.009 0.000 0.936 437 K CB -0.824 31.670 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.853 118.712 120.570 -0.008 0.000 4.439 438 I HA 0.225 4.395 4.170 0.000 0.000 0.331 438 I C 2.414 178.527 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.713 61.300 -0.008 0.000 1.193 438 I CB 0.745 38.740 38.000 -0.008 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.632 124.448 122.820 -0.007 0.000 1.862 439 A HA 0.027 4.347 4.320 0.000 0.000 0.217 439 A C 1.436 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.136 54.170 52.037 -0.006 0.000 0.673 439 A CB -1.172 17.824 19.000 -0.005 0.000 0.843 439 A HN 0.416 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