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_R DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPGGV YALNGTINAV 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 -0.126 0.000 1.109 8 T CA 0.000 62.014 62.100 -0.144 0.000 1.349 8 T CB 0.000 68.837 68.868 -0.051 0.000 0.612 9 Q N 0.456 120.162 119.800 -0.156 0.000 2.285 9 Q HA 0.867 5.207 4.340 0.000 0.000 0.269 9 Q C 0.642 176.571 176.000 -0.118 0.000 1.030 9 Q CA 0.688 56.421 55.803 -0.116 0.000 0.788 9 Q CB 0.733 29.414 28.738 -0.095 0.000 1.266 9 Q HN 2.521 nan 8.270 nan 0.000 0.438 10 Q N 0.465 120.203 119.800 -0.103 0.000 2.363 10 Q HA -0.275 4.065 4.340 0.000 0.000 0.409 10 Q C 1.120 177.043 176.000 -0.129 0.000 1.118 10 Q CA 4.439 60.180 55.803 -0.103 0.000 0.966 10 Q CB -2.632 26.057 28.738 -0.082 0.000 1.795 10 Q HN 2.321 nan 8.270 nan 0.000 0.941 11 I N -6.389 114.109 120.570 -0.119 0.000 3.519 11 I HA 0.729 4.899 4.170 0.000 0.000 0.314 11 I C -0.606 175.442 176.117 -0.116 0.000 1.273 11 I CA -0.600 60.622 61.300 -0.131 0.000 1.108 11 I CB 1.742 39.672 38.000 -0.117 0.000 1.212 11 I HN 0.660 nan 8.210 nan 0.000 0.420 12 V N 1.737 121.612 119.914 -0.065 0.000 2.419 12 V HA 0.292 4.412 4.120 0.000 0.000 0.287 12 V C -1.859 174.269 176.094 0.058 0.000 1.017 12 V CA -1.106 61.175 62.300 -0.032 0.000 0.844 12 V CB 1.068 32.850 31.823 -0.069 0.000 1.011 12 V HN 0.541 nan 8.190 nan 0.000 0.429 13 P HA -0.256 nan 4.420 nan 0.000 0.219 13 P C 1.586 178.962 177.300 0.127 0.000 1.158 13 P CA 1.680 64.829 63.100 0.081 0.000 0.895 13 P CB 0.114 31.863 31.700 0.081 0.000 0.792 14 F N -0.323 119.643 119.950 0.028 0.000 2.102 14 F HA -0.167 4.360 4.527 0.000 0.000 0.298 14 F C 2.053 177.893 175.800 0.067 0.000 1.105 14 F CA 1.299 59.316 58.000 0.029 0.000 1.239 14 F CB -0.756 38.237 39.000 -0.012 0.000 0.991 14 F HN -0.234 nan 8.300 nan 0.000 0.474 15 I N 0.658 121.233 120.570 0.009 0.000 2.208 15 I HA -0.287 3.883 4.170 0.000 0.000 0.245 15 I C 2.590 178.695 176.117 -0.021 0.000 1.097 15 I CA 1.446 62.735 61.300 -0.018 0.000 1.363 15 I CB -1.306 36.847 38.000 0.255 0.000 1.051 15 I HN 0.214 nan 8.210 nan 0.000 0.413 16 R N 0.254 120.818 120.500 0.107 0.000 2.083 16 R HA -0.195 4.145 4.340 0.000 0.000 0.237 16 R C 2.594 178.911 176.300 0.029 0.000 1.137 16 R CA 2.122 58.317 56.100 0.158 0.000 0.951 16 R CB -0.233 30.137 30.300 0.117 0.000 0.851 16 R HN 0.227 nan 8.270 nan 0.000 0.434 17 S N 0.100 115.761 115.700 -0.065 0.000 2.368 17 S HA -0.119 4.351 4.470 0.000 0.000 0.224 17 S C 1.847 176.337 174.600 -0.184 0.000 1.029 17 S CA 1.140 59.279 58.200 -0.100 0.000 0.988 17 S CB -0.249 62.904 63.200 -0.078 0.000 0.838 17 S HN 0.354 nan 8.310 nan 0.000 0.462 18 L N 1.301 122.293 121.223 -0.384 0.000 2.027 18 L HA 0.131 4.471 4.340 0.000 0.000 0.206 18 L C 1.973 178.767 176.870 -0.127 0.000 1.074 18 L CA 1.800 56.430 54.840 -0.351 0.000 0.745 18 L CB -0.454 41.265 42.059 -0.566 0.000 0.898 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -1.542 119.627 121.223 -0.088 0.000 2.375 19 L HA 0.077 4.417 4.340 0.000 0.000 0.215 19 L C 0.698 177.653 176.870 0.141 0.000 1.108 19 L CA 0.338 55.195 54.840 0.027 0.000 0.830 19 L CB -0.003 41.988 42.059 -0.113 0.000 0.959 19 L HN 0.233 nan 8.230 nan 0.000 0.457 20 M N -0.519 119.140 119.600 0.098 0.000 2.389 20 M HA 0.239 4.719 4.480 0.000 0.000 0.206 20 M C -1.979 174.361 176.300 0.068 0.000 0.976 20 M CA -1.296 54.087 55.300 0.137 0.000 0.648 20 M CB 1.594 34.269 32.600 0.124 0.000 1.474 20 M HN -0.263 nan 8.290 nan 0.000 0.398 21 P HA -0.157 nan 4.420 nan 0.000 0.219 21 P C 1.368 178.670 177.300 0.003 0.000 1.146 21 P CA 1.471 64.564 63.100 -0.011 0.000 0.808 21 P CB -0.170 31.503 31.700 -0.046 0.000 0.779 22 T N -5.696 108.872 114.554 0.023 0.000 3.077 22 T HA -0.080 4.270 4.350 0.000 0.000 0.269 22 T C 1.690 176.405 174.700 0.025 0.000 1.146 22 T CA 1.390 63.504 62.100 0.023 0.000 1.091 22 T CB -1.422 67.466 68.868 0.035 0.000 0.892 22 T HN 0.016 nan 8.240 nan 0.000 0.533 23 T N 0.823 115.394 114.554 0.027 0.000 3.023 23 T HA 0.458 4.808 4.350 0.000 0.000 0.266 23 T C 0.925 175.639 174.700 0.024 0.000 1.093 23 T CA 1.032 63.146 62.100 0.024 0.000 1.129 23 T CB -0.643 68.243 68.868 0.030 0.000 0.899 23 T HN 0.990 nan 8.240 nan 0.000 0.491 24 G N 1.373 110.187 108.800 0.023 0.000 2.408 24 G HA2 0.069 4.029 3.960 0.000 0.000 0.682 24 G HA3 0.069 4.029 3.960 0.000 0.000 0.682 24 G C -3.330 171.589 174.900 0.032 0.000 1.303 24 G CA -0.964 44.154 45.100 0.031 0.000 0.966 24 G HN 0.074 nan 8.290 nan 0.000 0.560 25 P HA 0.716 nan 4.420 nan 0.000 0.283 25 P C -0.445 176.917 177.300 0.103 0.000 1.271 25 P CA 0.202 63.343 63.100 0.069 0.000 0.841 25 P CB 1.972 33.725 31.700 0.088 0.000 1.122 26 A N 0.509 123.421 122.820 0.153 0.000 2.572 26 A HA 0.598 4.918 4.320 0.000 0.000 0.295 26 A C -0.528 177.208 177.584 0.253 0.000 1.072 26 A CA -0.544 51.615 52.037 0.203 0.000 0.691 26 A CB 0.720 19.857 19.000 0.228 0.000 1.291 26 A HN 0.381 nan 8.150 nan 0.000 0.404 27 S N 0.809 116.643 115.700 0.223 0.000 2.549 27 S HA 0.352 4.822 4.470 0.000 0.000 0.279 27 S C 0.303 174.877 174.600 -0.044 0.000 1.321 27 S CA -0.152 58.147 58.200 0.166 0.000 1.054 27 S CB 0.040 63.404 63.200 0.274 0.000 0.899 27 S HN 0.460 nan 8.310 nan 0.000 0.497 28 I N 5.022 125.454 120.570 -0.230 0.000 2.598 28 I HA 0.098 4.268 4.170 0.000 0.000 0.284 28 I C -1.561 174.217 176.117 -0.565 0.000 1.140 28 I CA -1.374 59.495 61.300 -0.718 0.000 1.420 28 I CB 0.356 38.043 38.000 -0.522 0.000 1.387 28 I HN 0.425 nan 8.210 nan 0.000 0.553 29 P HA 0.108 nan 4.420 nan 0.000 0.214 29 P C -1.044 176.091 177.300 -0.276 0.000 1.807 29 P CA -0.267 62.619 63.100 -0.358 0.000 0.921 29 P CB -0.409 31.104 31.700 -0.312 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 0.445 176.725 176.300 -0.033 0.000 1.190 30 D CA -0.375 53.550 54.000 -0.125 0.000 1.095 30 D CB -0.006 40.733 40.800 -0.102 0.000 1.173 30 D HN -0.172 nan 8.370 nan 0.000 0.604 31 D N -1.335 119.066 120.400 0.001 0.000 2.349 31 D HA 0.040 4.680 4.640 0.000 0.000 0.214 31 D C -0.011 176.316 176.300 0.045 0.000 1.063 31 D CA 0.318 54.331 54.000 0.021 0.000 0.847 31 D CB 0.076 40.887 40.800 0.019 0.000 0.933 31 D HN 0.273 nan 8.370 nan 0.000 0.513 32 T N 2.105 116.696 114.554 0.062 0.000 4.104 32 T HA 0.180 4.530 4.350 0.000 0.000 0.285 32 T C 0.894 175.697 174.700 0.171 0.000 1.346 32 T CA -0.098 62.073 62.100 0.118 0.000 1.158 32 T CB -0.330 68.618 68.868 0.133 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.383 124.697 121.223 0.152 0.000 2.404 33 L HA 0.256 4.596 4.340 0.000 0.000 0.277 33 L C 0.771 177.851 176.870 0.350 0.000 1.184 33 L CA 0.046 55.027 54.840 0.235 0.000 1.013 33 L CB -0.082 42.030 42.059 0.089 0.000 1.318 33 L HN 0.377 nan 8.230 nan 0.000 0.435 34 E N 2.931 123.324 120.200 0.323 0.000 2.207 34 E HA 0.315 4.665 4.350 0.000 0.000 0.270 34 E C -0.610 176.010 176.600 0.033 0.000 0.927 34 E CA -0.958 55.500 56.400 0.097 0.000 0.799 34 E CB 2.433 31.970 29.700 -0.271 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.486 123.653 120.400 -0.389 0.000 2.402 35 K HA 0.048 4.368 4.320 0.000 0.000 0.285 35 K C 0.221 176.734 176.600 -0.145 0.000 1.054 35 K CA 0.316 56.316 56.287 -0.478 0.000 1.001 35 K CB 0.130 32.300 32.500 -0.550 0.000 0.946 35 K HN 0.522 nan 8.250 nan 0.000 0.473 36 H N -0.220 118.786 119.070 -0.106 0.000 2.959 36 H HA 0.486 5.042 4.556 0.000 0.000 0.296 36 H C -1.085 174.275 175.328 0.052 0.000 1.421 36 H CA -0.803 55.256 56.048 0.018 0.000 1.206 36 H CB 1.949 31.815 29.762 0.173 0.000 1.891 36 H HN 0.398 nan 8.280 nan 0.000 0.573 37 T N 0.632 115.299 114.554 0.188 0.000 2.906 37 T HA 0.537 4.887 4.350 0.000 0.000 0.295 37 T C -0.905 173.933 174.700 0.230 0.000 1.061 37 T CA -0.735 61.437 62.100 0.121 0.000 1.000 37 T CB 1.102 70.047 68.868 0.128 0.000 1.103 37 T HN 0.414 nan 8.240 nan 0.000 0.486 38 L N 3.594 124.923 121.223 0.176 0.000 2.307 38 L HA 0.740 5.080 4.340 0.000 0.000 0.284 38 L C 0.045 176.995 176.870 0.134 0.000 1.023 38 L CA -0.743 54.210 54.840 0.187 0.000 0.810 38 L CB 1.573 43.739 42.059 0.179 0.000 1.231 38 L HN 0.506 nan 8.230 nan 0.000 0.423 39 R N 0.914 121.498 120.500 0.141 0.000 2.771 39 R HA 0.607 4.947 4.340 0.000 0.000 0.274 39 R C -1.294 175.119 176.300 0.189 0.000 0.987 39 R CA -0.475 55.709 56.100 0.139 0.000 0.908 39 R CB 2.500 32.851 30.300 0.084 0.000 1.213 39 R HN 0.518 nan 8.270 nan 0.000 0.468 40 S N 1.140 116.936 115.700 0.160 0.000 2.501 40 S HA 0.502 4.972 4.470 0.000 0.000 0.301 40 S C -1.133 173.581 174.600 0.191 0.000 1.096 40 S CA -0.853 57.439 58.200 0.153 0.000 1.063 40 S CB 1.497 64.751 63.200 0.089 0.000 1.042 40 S HN 0.317 nan 8.310 nan 0.000 0.494 41 E N 2.336 122.680 120.200 0.240 0.000 2.224 41 E HA 0.339 4.689 4.350 0.000 0.000 0.265 41 E C -0.407 176.293 176.600 0.165 0.000 0.878 41 E CA -0.494 56.039 56.400 0.221 0.000 0.759 41 E CB 2.031 31.917 29.700 0.310 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.566 114.055 114.554 0.112 0.000 2.882 42 T HA 0.505 4.855 4.350 0.000 0.000 0.287 42 T C 0.314 175.068 174.700 0.092 0.000 1.014 42 T CA -0.613 61.535 62.100 0.079 0.000 1.049 42 T CB 0.973 69.866 68.868 0.042 0.000 1.001 42 T HN 0.117 nan 8.240 nan 0.000 0.525 43 S N 1.316 117.069 115.700 0.089 0.000 2.561 43 S HA 0.667 5.137 4.470 0.000 0.000 0.303 43 S C -0.330 174.294 174.600 0.040 0.000 1.110 43 S CA -0.922 57.351 58.200 0.121 0.000 1.034 43 S CB 1.403 64.757 63.200 0.257 0.000 1.010 43 S HN 1.066 nan 8.310 nan 0.000 0.482 44 T N 1.172 115.624 114.554 -0.170 0.000 2.881 44 T HA 0.714 5.064 4.350 0.000 0.000 0.291 44 T C -1.307 173.084 174.700 -0.515 0.000 0.990 44 T CA -0.522 61.459 62.100 -0.197 0.000 0.976 44 T CB 0.415 69.193 68.868 -0.149 0.000 0.970 44 T HN 0.420 nan 8.240 nan 0.000 0.438 45 Y N 1.455 121.762 120.300 0.012 0.000 2.492 45 Y HA 0.554 5.104 4.550 0.000 0.000 0.346 45 Y C -0.149 175.728 175.900 -0.038 0.000 0.997 45 Y CA -1.236 56.856 58.100 -0.013 0.000 1.025 45 Y CB 2.318 40.766 38.460 -0.020 0.000 1.263 45 Y HN 0.568 nan 8.280 nan 0.000 0.454 46 N N 3.936 122.693 118.700 0.095 0.000 2.621 46 N HA 0.381 5.121 4.740 0.000 0.000 0.237 46 N C -1.301 174.216 175.510 0.012 0.000 0.997 46 N CA -0.299 52.768 53.050 0.027 0.000 0.918 46 N CB 0.932 39.422 38.487 0.005 0.000 1.122 46 N HN 0.550 nan 8.380 nan 0.000 0.510 47 L N 0.945 122.132 121.223 -0.059 0.000 2.350 47 L HA 0.427 4.767 4.340 0.000 0.000 0.275 47 L C 0.725 177.556 176.870 -0.065 0.000 1.099 47 L CA -0.388 54.380 54.840 -0.119 0.000 0.808 47 L CB 0.785 42.582 42.059 -0.437 0.000 1.149 47 L HN 0.171 nan 8.230 nan 0.000 0.442 48 T N 1.817 116.385 114.554 0.023 0.000 2.799 48 T HA 0.340 4.690 4.350 0.000 0.000 0.286 48 T C 0.076 174.844 174.700 0.112 0.000 0.973 48 T CA -0.484 61.643 62.100 0.045 0.000 1.035 48 T CB 1.653 70.548 68.868 0.046 0.000 0.932 48 T HN 0.206 nan 8.240 nan 0.000 0.469 49 V N 3.528 123.491 119.914 0.082 0.000 2.555 49 V HA 0.454 4.574 4.120 0.000 0.000 0.286 49 V C 1.224 177.398 176.094 0.134 0.000 1.044 49 V CA -0.255 62.139 62.300 0.156 0.000 1.026 49 V CB 0.994 32.881 31.823 0.106 0.000 0.981 49 V HN 1.045 nan 8.190 nan 0.000 0.480 50 G N 2.403 111.297 108.800 0.157 0.000 2.535 50 G HA2 0.169 4.129 3.960 0.000 0.000 0.282 50 G HA3 0.169 4.129 3.960 0.000 0.000 0.282 50 G C 0.545 175.482 174.900 0.062 0.000 1.350 50 G CA -0.233 44.920 45.100 0.088 0.000 1.039 50 G HN 0.673 nan 8.290 nan 0.000 0.509 51 D N -0.512 119.908 120.400 0.032 0.000 2.158 51 D HA -0.148 4.492 4.640 0.000 0.000 0.197 51 D C 2.793 179.099 176.300 0.009 0.000 0.995 51 D CA 2.089 56.098 54.000 0.016 0.000 0.846 51 D CB -0.259 40.542 40.800 0.002 0.000 0.941 51 D HN 0.448 nan 8.370 nan 0.000 0.456 52 T N -3.576 110.978 114.554 0.001 0.000 3.088 52 T HA 0.226 4.576 4.350 0.000 0.000 0.259 52 T C 1.662 176.362 174.700 -0.000 0.000 1.122 52 T CA 0.822 62.911 62.100 -0.019 0.000 1.095 52 T CB 0.147 68.981 68.868 -0.056 0.000 0.930 52 T HN 0.215 nan 8.240 nan 0.000 0.508 53 G N 0.244 109.074 108.800 0.050 0.000 2.160 53 G HA2 -0.190 3.770 3.960 0.000 0.000 0.251 53 G HA3 -0.190 3.770 3.960 0.000 0.000 0.251 53 G C 0.041 175.029 174.900 0.147 0.000 1.008 53 G CA 0.304 45.464 45.100 0.100 0.000 0.724 53 G HN 0.999 nan 8.290 nan 0.000 0.514 54 S N -1.382 114.361 115.700 0.072 0.000 2.546 54 S HA 0.935 5.405 4.470 0.000 0.000 0.274 54 S C 0.113 174.510 174.600 -0.338 0.000 1.121 54 S CA 0.708 58.823 58.200 -0.142 0.000 0.887 54 S CB 1.857 64.965 63.200 -0.153 0.000 1.094 54 S HN 1.942 nan 8.310 nan 0.000 0.474 55 G N 1.052 109.330 108.800 -0.870 0.000 2.430 55 G HA2 0.555 4.515 3.960 0.000 0.000 0.300 55 G HA3 0.555 4.515 3.960 0.000 0.000 0.300 55 G C -2.479 172.165 174.900 -0.427 0.000 1.330 55 G CA -0.505 44.252 45.100 -0.573 0.000 0.813 55 G HN 1.030 nan 8.290 nan 0.000 0.487 56 L N -0.151 121.101 121.223 0.048 0.000 2.464 56 L HA 0.778 5.118 4.340 0.000 0.000 0.266 56 L C -1.242 175.743 176.870 0.191 0.000 0.965 56 L CA -0.635 54.266 54.840 0.102 0.000 0.833 56 L CB 1.798 43.852 42.059 -0.007 0.000 1.296 56 L HN 0.526 nan 8.230 nan 0.000 0.405 57 I N 5.342 125.961 120.570 0.080 0.000 2.339 57 I HA 0.444 4.614 4.170 0.000 0.000 0.290 57 I C -0.644 175.242 176.117 -0.385 0.000 0.994 57 I CA -0.910 60.292 61.300 -0.163 0.000 1.191 57 I CB 1.844 39.640 38.000 -0.340 0.000 1.343 57 I HN 0.257 nan 8.210 nan 0.000 0.458 58 V N 7.315 126.959 119.914 -0.450 0.000 2.350 58 V HA 0.356 4.476 4.120 0.000 0.000 0.276 58 V C -0.264 175.354 176.094 -0.792 0.000 1.028 58 V CA -0.321 61.648 62.300 -0.550 0.000 0.860 58 V CB 0.781 32.302 31.823 -0.502 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.119 123.799 119.950 -0.450 0.000 2.458 59 F HA 0.580 5.107 4.527 0.000 0.000 0.330 59 F C -0.001 175.481 175.800 -0.531 0.000 1.082 59 F CA -0.616 57.141 58.000 -0.406 0.000 0.995 59 F CB 1.727 40.639 39.000 -0.147 0.000 1.170 59 F HN 0.368 nan 8.300 nan 0.000 0.478 60 F N 3.659 123.783 119.950 0.289 0.000 2.334 60 F HA 0.280 4.807 4.527 0.000 0.000 0.343 60 F C -1.638 174.307 175.800 0.242 0.000 1.136 60 F CA -1.816 56.325 58.000 0.235 0.000 1.237 60 F CB 0.233 39.364 39.000 0.219 0.000 1.525 60 F HN 0.268 nan 8.300 nan 0.000 0.528 61 P HA -0.130 nan 4.420 nan 0.000 0.219 61 P C 1.405 178.809 177.300 0.174 0.000 1.146 61 P CA 1.238 64.431 63.100 0.155 0.000 0.808 61 P CB 0.317 32.062 31.700 0.074 0.000 0.779 62 G N -1.653 107.281 108.800 0.224 0.000 3.233 62 G HA2 0.037 3.997 3.960 0.000 0.000 0.234 62 G HA3 0.037 3.997 3.960 0.000 0.000 0.234 62 G C -0.131 174.922 174.900 0.255 0.000 1.137 62 G CA -0.396 44.814 45.100 0.184 0.000 0.763 62 G HN 0.154 nan 8.290 nan 0.000 0.549 63 F N 3.147 123.231 119.950 0.223 0.000 2.571 63 F HA 0.281 4.808 4.527 0.000 0.000 0.384 63 F C -1.592 174.359 175.800 0.251 0.000 1.058 63 F CA -2.430 55.704 58.000 0.223 0.000 1.200 63 F CB 1.104 40.239 39.000 0.225 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.321 nan 4.420 nan 0.000 0.238 64 P C -0.053 177.171 177.300 -0.126 0.000 1.794 64 P CA 0.347 63.392 63.100 -0.093 0.000 1.088 64 P CB 0.244 31.813 31.700 -0.218 0.000 1.923 65 G N 0.387 109.371 108.800 0.307 0.000 2.368 65 G HA2 0.002 3.962 3.960 0.000 0.000 0.269 65 G HA3 0.002 3.962 3.960 0.000 0.000 0.269 65 G C 0.232 175.386 174.900 0.424 0.000 1.291 65 G CA -0.340 44.910 45.100 0.250 0.000 0.903 65 G HN -0.043 nan 8.290 nan 0.000 0.483 66 S N -0.425 115.456 115.700 0.301 0.000 2.558 66 S HA 0.293 4.763 4.470 0.000 0.000 0.217 66 S C 0.945 175.637 174.600 0.153 0.000 0.975 66 S CA 0.065 58.382 58.200 0.195 0.000 0.912 66 S CB -0.247 63.017 63.200 0.107 0.000 0.776 66 S HN 0.347 nan 8.310 nan 0.000 0.526 67 I N 1.356 121.909 120.570 -0.027 0.000 2.337 67 I HA 0.142 4.312 4.170 0.000 0.000 0.291 67 I C 0.836 176.932 176.117 -0.035 0.000 1.046 67 I CA -0.131 61.002 61.300 -0.279 0.000 1.324 67 I CB 1.424 38.882 38.000 -0.905 0.000 1.409 67 I HN -0.056 nan 8.210 nan 0.000 0.494 68 V N 5.365 125.383 119.914 0.174 0.000 2.922 68 V HA 0.431 4.551 4.120 0.000 0.000 0.242 68 V C 0.948 177.285 176.094 0.406 0.000 1.094 68 V CA 1.069 63.563 62.300 0.323 0.000 1.106 68 V CB 0.422 32.437 31.823 0.320 0.000 0.799 68 V HN 0.957 nan 8.190 nan 0.000 0.474 69 G N -1.156 107.796 108.800 0.254 0.000 2.348 69 G HA2 0.665 4.625 3.960 0.000 0.000 0.296 69 G HA3 0.665 4.625 3.960 0.000 0.000 0.296 69 G C -1.842 173.035 174.900 -0.038 0.000 1.258 69 G CA 0.149 45.244 45.100 -0.008 0.000 0.868 69 G HN 0.643 nan 8.290 nan 0.000 0.488 70 A N -0.625 122.075 122.820 -0.201 0.000 2.549 70 A HA 0.794 5.114 4.320 0.000 0.000 0.297 70 A C -1.288 176.140 177.584 -0.259 0.000 1.061 70 A CA -0.453 51.499 52.037 -0.142 0.000 0.690 70 A CB 1.564 20.593 19.000 0.049 0.000 1.287 70 A HN 1.191 nan 8.150 nan 0.000 0.402 71 H N 1.200 119.985 119.070 -0.475 0.000 2.466 71 H HA 0.641 5.197 4.556 0.000 0.000 0.338 71 H C -1.816 173.230 175.328 -0.471 0.000 1.091 71 H CA -0.291 55.537 56.048 -0.367 0.000 1.207 71 H CB 0.911 30.501 29.762 -0.285 0.000 1.466 71 H HN 0.612 nan 8.280 nan 0.000 0.493 72 Y N 2.172 122.265 120.300 -0.345 0.000 2.409 72 Y HA 0.171 4.721 4.550 0.000 0.000 0.343 72 Y C 0.466 176.201 175.900 -0.275 0.000 0.973 72 Y CA -0.819 57.157 58.100 -0.207 0.000 1.064 72 Y CB 2.130 40.664 38.460 0.124 0.000 1.207 72 Y HN 0.579 nan 8.280 nan 0.000 0.452 73 T N 0.592 115.098 114.554 -0.080 0.000 2.922 73 T HA 0.568 4.918 4.350 0.000 0.000 0.285 73 T C -0.756 173.986 174.700 0.069 0.000 1.005 73 T CA -0.754 61.344 62.100 -0.004 0.000 1.061 73 T CB 1.389 70.248 68.868 -0.015 0.000 1.007 73 T HN 0.459 nan 8.240 nan 0.000 0.502 74 L N 1.897 123.087 121.223 -0.054 0.000 2.312 74 L HA 0.445 4.785 4.340 0.000 0.000 0.281 74 L C -0.056 176.714 176.870 -0.167 0.000 1.070 74 L CA -0.035 54.649 54.840 -0.260 0.000 0.805 74 L CB 1.152 42.998 42.059 -0.355 0.000 1.174 74 L HN 0.758 nan 8.230 nan 0.000 0.434 75 Q N 2.378 122.065 119.800 -0.190 0.000 2.297 75 Q HA 0.355 4.695 4.340 0.000 0.000 0.269 75 Q C 0.924 176.856 176.000 -0.114 0.000 1.051 75 Q CA -0.171 55.565 55.803 -0.112 0.000 0.869 75 Q CB 1.462 30.152 28.738 -0.081 0.000 1.346 75 Q HN 0.900 nan 8.270 nan 0.000 0.457 76 G N 1.672 110.427 108.800 -0.076 0.000 2.556 76 G HA2 -0.343 3.617 3.960 0.000 0.000 0.220 76 G HA3 -0.343 3.617 3.960 0.000 0.000 0.220 76 G C 0.881 175.734 174.900 -0.078 0.000 1.156 76 G CA 1.447 46.507 45.100 -0.068 0.000 0.766 76 G HN 0.844 nan 8.290 nan 0.000 0.583 77 N N 0.793 119.445 118.700 -0.079 0.000 2.515 77 N HA 0.137 4.877 4.740 0.000 0.000 0.191 77 N C 1.552 176.998 175.510 -0.106 0.000 1.182 77 N CA 1.009 54.011 53.050 -0.080 0.000 0.879 77 N CB 0.078 38.526 38.487 -0.066 0.000 0.984 77 N HN 0.590 nan 8.380 nan 0.000 0.453 78 G N 0.426 109.140 108.800 -0.144 0.000 2.176 78 G HA2 -0.254 3.706 3.960 0.000 0.000 0.253 78 G HA3 -0.254 3.706 3.960 0.000 0.000 0.253 78 G C -0.212 174.530 174.900 -0.262 0.000 0.979 78 G CA -0.207 44.777 45.100 -0.193 0.000 0.641 78 G HN 0.425 nan 8.290 nan 0.000 0.530 79 N N -0.146 118.422 118.700 -0.220 0.000 2.515 79 N HA 0.555 5.295 4.740 0.000 0.000 0.279 79 N C -0.074 175.268 175.510 -0.279 0.000 1.164 79 N CA -0.251 52.672 53.050 -0.212 0.000 0.982 79 N CB 0.441 38.861 38.487 -0.112 0.000 1.170 79 N HN 0.233 nan 8.380 nan 0.000 0.474 80 Y N 0.281 120.496 120.300 -0.141 0.000 2.301 80 Y HA 0.243 4.793 4.550 0.000 0.000 0.328 80 Y C 1.003 176.918 175.900 0.026 0.000 1.242 80 Y CA 0.090 58.151 58.100 -0.064 0.000 1.323 80 Y CB 1.024 39.398 38.460 -0.143 0.000 1.266 80 Y HN 0.193 nan 8.280 nan 0.000 0.527 81 K N 3.221 123.798 120.400 0.295 0.000 2.507 81 K HA 0.253 4.573 4.320 0.000 0.000 0.252 81 K C -1.452 175.345 176.600 0.327 0.000 0.943 81 K CA -0.798 55.641 56.287 0.253 0.000 0.808 81 K CB 0.895 33.462 32.500 0.112 0.000 1.142 81 K HN 0.558 nan 8.250 nan 0.000 0.426 82 F N 3.837 123.921 119.950 0.223 0.000 2.607 82 F HA -0.026 4.501 4.527 0.000 0.000 0.374 82 F C 0.883 176.615 175.800 -0.113 0.000 1.104 82 F CA 0.672 58.659 58.000 -0.022 0.000 1.296 82 F CB 0.806 39.819 39.000 0.021 0.000 1.085 82 F HN 0.818 nan 8.300 nan 0.000 0.584 83 D N 2.344 122.142 120.400 -1.003 0.000 2.805 83 D HA 0.107 4.747 4.640 0.000 0.000 0.271 83 D C -0.616 175.003 176.300 -1.135 0.000 1.166 83 D CA 0.910 54.447 54.000 -0.772 0.000 1.004 83 D CB 0.219 40.760 40.800 -0.433 0.000 1.136 83 D HN 0.675 nan 8.370 nan 0.000 0.444 84 Q N -0.869 118.174 119.800 -1.262 0.000 2.578 84 Q HA 0.322 4.662 4.340 0.000 0.000 0.284 84 Q C -1.089 174.658 176.000 -0.420 0.000 0.960 84 Q CA -1.039 54.286 55.803 -0.797 0.000 0.809 84 Q CB 1.111 29.652 28.738 -0.328 0.000 1.462 84 Q HN -0.045 nan 8.270 nan 0.000 0.392 85 M N 1.840 121.437 119.600 -0.005 0.000 2.238 85 M HA 0.347 4.827 4.480 0.000 0.000 0.347 85 M C -0.522 175.651 176.300 -0.210 0.000 1.173 85 M CA 0.006 55.324 55.300 0.030 0.000 1.147 85 M CB -0.013 32.655 32.600 0.113 0.000 1.547 85 M HN 0.613 nan 8.290 nan 0.000 0.455 86 L N 4.789 125.865 121.223 -0.246 0.000 2.272 86 L HA 0.551 4.891 4.340 0.000 0.000 0.289 86 L C -0.430 176.436 176.870 -0.005 0.000 1.032 86 L CA -0.366 54.198 54.840 -0.459 0.000 0.810 86 L CB 0.621 42.454 42.059 -0.377 0.000 1.205 86 L HN 0.564 nan 8.230 nan 0.000 0.422 87 L N 1.302 122.669 121.223 0.240 0.000 2.279 87 L HA 0.568 4.908 4.340 0.000 0.000 0.262 87 L C 0.498 177.575 176.870 0.345 0.000 1.019 87 L CA -0.800 54.209 54.840 0.281 0.000 0.823 87 L CB 1.952 44.148 42.059 0.229 0.000 1.358 87 L HN 0.382 nan 8.230 nan 0.000 0.432 88 T N 0.280 114.983 114.554 0.248 0.000 2.903 88 T HA 0.095 4.445 4.350 0.000 0.000 0.314 88 T C 1.144 175.937 174.700 0.155 0.000 1.078 88 T CA 0.522 62.752 62.100 0.216 0.000 1.114 88 T CB 1.410 70.402 68.868 0.207 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.714 125.602 122.820 0.113 0.000 1.917 89 A HA -0.075 4.245 4.320 0.000 0.000 0.219 89 A C 1.032 178.653 177.584 0.063 0.000 1.182 89 A CA 1.472 53.543 52.037 0.056 0.000 0.633 89 A CB -0.377 18.649 19.000 0.043 0.000 0.819 89 A HN 0.852 nan 8.150 nan 0.000 0.448 90 Q N -1.489 118.359 119.800 0.081 0.000 2.433 90 Q HA 0.492 4.832 4.340 0.000 0.000 0.279 90 Q C -1.208 174.838 176.000 0.077 0.000 1.105 90 Q CA -0.984 54.863 55.803 0.072 0.000 0.815 90 Q CB 0.789 29.568 28.738 0.069 0.000 1.403 90 Q HN 0.141 nan 8.270 nan 0.000 0.435 91 N N 1.677 120.416 118.700 0.065 0.000 2.402 91 N HA 0.123 4.863 4.740 0.000 0.000 0.259 91 N C 0.500 176.047 175.510 0.061 0.000 1.167 91 N CA 0.003 53.089 53.050 0.060 0.000 0.949 91 N CB 0.312 38.828 38.487 0.049 0.000 1.212 91 N HN 0.766 nan 8.380 nan 0.000 0.493 92 L N 4.508 125.763 121.223 0.054 0.000 2.043 92 L HA -0.128 4.212 4.340 0.000 0.000 0.212 92 L C -0.664 176.274 176.870 0.113 0.000 1.075 92 L CA 1.276 56.169 54.840 0.088 0.000 0.752 92 L CB -1.077 40.926 42.059 -0.092 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.127 nan 4.420 nan 0.000 0.228 93 P C 1.086 178.387 177.300 0.002 0.000 1.151 93 P CA 1.261 64.375 63.100 0.023 0.000 0.770 93 P CB -0.015 31.692 31.700 0.010 0.000 0.786 94 A N -1.279 121.543 122.820 0.004 0.000 2.119 94 A HA 0.007 4.327 4.320 0.000 0.000 0.216 94 A C 2.003 179.541 177.584 -0.078 0.000 1.152 94 A CA 1.526 53.548 52.037 -0.025 0.000 0.708 94 A CB -0.546 18.447 19.000 -0.011 0.000 0.805 94 A HN 0.140 nan 8.150 nan 0.000 0.460 95 S N -2.736 112.891 115.700 -0.122 0.000 2.631 95 S HA 0.335 4.805 4.470 0.000 0.000 0.246 95 S C -0.408 173.833 174.600 -0.598 0.000 1.068 95 S CA -0.237 57.739 58.200 -0.373 0.000 0.995 95 S CB 0.136 63.041 63.200 -0.492 0.000 0.944 95 S HN 0.495 nan 8.310 nan 0.000 0.529 96 Y N 1.121 121.408 120.300 -0.021 0.000 2.536 96 Y HA 0.521 5.072 4.550 0.000 0.000 0.347 96 Y C 0.715 176.588 175.900 -0.045 0.000 1.000 96 Y CA -1.080 57.015 58.100 -0.009 0.000 1.051 96 Y CB 1.035 39.494 38.460 -0.001 0.000 1.259 96 Y HN -0.145 nan 8.280 nan 0.000 0.468 97 N N 0.056 118.825 118.700 0.115 0.000 2.414 97 N HA 0.080 4.820 4.740 0.000 0.000 0.177 97 N C -1.147 174.165 175.510 -0.330 0.000 1.062 97 N CA 0.535 53.510 53.050 -0.124 0.000 0.890 97 N CB 0.422 38.829 38.487 -0.133 0.000 1.070 97 N HN 0.533 nan 8.380 nan 0.000 0.454 98 Y N -1.057 119.320 120.300 0.128 0.000 2.545 98 Y HA 0.546 5.096 4.550 0.000 0.000 0.348 98 Y C -0.168 175.861 175.900 0.215 0.000 1.002 98 Y CA -1.169 57.027 58.100 0.159 0.000 1.039 98 Y CB 2.195 40.758 38.460 0.173 0.000 1.271 98 Y HN -0.113 nan 8.280 nan 0.000 0.467 99 C N 2.468 121.980 119.300 0.353 0.000 3.239 99 C HA 0.849 5.309 4.460 0.000 0.000 0.329 99 C C -1.781 173.187 174.990 -0.036 0.000 1.252 99 C CA -0.713 58.389 59.018 0.138 0.000 1.323 99 C CB 1.816 29.549 27.740 -0.012 0.000 1.663 99 C HN 1.032 nan 8.230 nan 0.000 0.487 100 R N 2.719 123.177 120.500 -0.069 0.000 2.548 100 R HA 0.663 5.003 4.340 0.000 0.000 0.280 100 R C -1.743 174.607 176.300 0.083 0.000 1.061 100 R CA -0.650 55.370 56.100 -0.133 0.000 0.915 100 R CB 1.682 31.642 30.300 -0.566 0.000 1.210 100 R HN 0.820 nan 8.270 nan 0.000 0.442 101 L N 4.705 125.998 121.223 0.117 0.000 2.319 101 L HA 0.229 4.569 4.340 0.000 0.000 0.280 101 L C 0.144 177.033 176.870 0.032 0.000 1.099 101 L CA 0.385 55.250 54.840 0.042 0.000 0.828 101 L CB 1.613 43.710 42.059 0.063 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.547 122.438 119.914 -0.038 0.000 2.436 102 V HA 0.255 4.375 4.120 0.000 0.000 0.240 102 V C 0.570 176.725 176.094 0.102 0.000 1.040 102 V CA 1.139 63.504 62.300 0.108 0.000 1.052 102 V CB 0.044 31.925 31.823 0.096 0.000 0.707 102 V HN 0.941 nan 8.190 nan 0.000 0.469 103 S N -0.315 115.350 115.700 -0.058 0.000 2.578 103 S HA 0.721 5.191 4.470 0.000 0.000 0.272 103 S C -0.940 173.580 174.600 -0.134 0.000 1.145 103 S CA -0.913 57.243 58.200 -0.074 0.000 0.835 103 S CB 2.649 65.790 63.200 -0.097 0.000 1.104 103 S HN 0.483 nan 8.310 nan 0.000 0.458 104 R N 0.441 120.881 120.500 -0.101 0.000 2.579 104 R HA 0.663 5.003 4.340 0.000 0.000 0.260 104 R C -1.684 174.548 176.300 -0.114 0.000 1.103 104 R CA -0.014 56.019 56.100 -0.112 0.000 0.942 104 R CB 1.701 31.942 30.300 -0.098 0.000 1.251 104 R HN 1.288 nan 8.270 nan 0.000 0.450 105 S N 3.971 119.592 115.700 -0.131 0.000 2.549 105 S HA 0.785 5.255 4.470 0.000 0.000 0.280 105 S C -1.140 173.335 174.600 -0.209 0.000 1.109 105 S CA -0.797 57.288 58.200 -0.192 0.000 0.905 105 S CB 1.773 64.844 63.200 -0.214 0.000 1.081 105 S HN 0.432 nan 8.310 nan 0.000 0.477 106 L N 1.203 122.253 121.223 -0.290 0.000 2.409 106 L HA 0.691 5.031 4.340 0.000 0.000 0.262 106 L C -0.452 176.286 176.870 -0.220 0.000 0.992 106 L CA -0.475 54.193 54.840 -0.287 0.000 0.817 106 L CB 2.785 44.495 42.059 -0.580 0.000 1.350 106 L HN 0.775 nan 8.230 nan 0.000 0.411 107 T N 1.474 115.965 114.554 -0.106 0.000 2.812 107 T HA 0.627 4.977 4.350 0.000 0.000 0.282 107 T C -0.902 173.817 174.700 0.031 0.000 0.990 107 T CA -0.366 61.707 62.100 -0.044 0.000 0.960 107 T CB 1.583 70.434 68.868 -0.029 0.000 0.948 107 T HN 0.203 nan 8.240 nan 0.000 0.438 108 V N 6.015 125.965 119.914 0.060 0.000 2.407 108 V HA 0.687 4.807 4.120 0.000 0.000 0.291 108 V C -0.057 176.070 176.094 0.056 0.000 1.018 108 V CA -0.852 61.502 62.300 0.091 0.000 0.842 108 V CB 1.148 33.073 31.823 0.170 0.000 0.996 108 V HN 0.889 nan 8.190 nan 0.000 0.426 109 R N 2.316 122.829 120.500 0.023 0.000 2.710 109 R HA 0.706 5.046 4.340 0.000 0.000 0.270 109 R C -0.695 175.591 176.300 -0.023 0.000 1.021 109 R CA -0.601 55.507 56.100 0.013 0.000 0.889 109 R CB 1.885 32.200 30.300 0.025 0.000 1.243 109 R HN 0.589 nan 8.270 nan 0.000 0.464 110 S N 0.390 116.075 115.700 -0.025 0.000 2.523 110 S HA 0.095 4.565 4.470 0.000 0.000 0.275 110 S C 0.711 175.301 174.600 -0.017 0.000 1.281 110 S CA -0.111 58.064 58.200 -0.042 0.000 1.050 110 S CB 1.301 64.478 63.200 -0.040 0.000 0.937 110 S HN 0.741 nan 8.310 nan 0.000 0.492 111 S N 2.326 118.013 115.700 -0.022 0.000 2.593 111 S HA 0.093 4.563 4.470 0.000 0.000 0.217 111 S C 0.521 175.117 174.600 -0.006 0.000 0.966 111 S CA -0.289 57.904 58.200 -0.011 0.000 0.914 111 S CB -0.451 62.742 63.200 -0.013 0.000 0.776 111 S HN 0.717 nan 8.310 nan 0.000 0.523 112 T N 3.683 118.233 114.554 -0.007 0.000 2.729 112 T HA 0.502 4.852 4.350 0.000 0.000 0.296 112 T C -0.505 174.205 174.700 0.017 0.000 0.928 112 T CA -0.277 61.824 62.100 0.002 0.000 1.045 112 T CB 0.323 69.191 68.868 -0.001 0.000 0.902 112 T HN 0.291 nan 8.240 nan 0.000 0.500 113 L N 6.297 127.533 121.223 0.022 0.000 2.353 113 L HA 0.390 4.730 4.340 0.000 0.000 0.270 113 L C -2.399 174.504 176.870 0.054 0.000 1.003 113 L CA -2.353 52.510 54.840 0.038 0.000 0.862 113 L CB 1.125 43.193 42.059 0.016 0.000 1.221 113 L HN 0.299 nan 8.230 nan 0.000 0.430 114 P HA 0.085 nan 4.420 nan 0.000 0.267 114 P C 1.079 178.476 177.300 0.160 0.000 1.200 114 P CA 0.665 63.830 63.100 0.109 0.000 0.772 114 P CB 0.962 32.731 31.700 0.115 0.000 0.855 115 G N 1.850 110.725 108.800 0.126 0.000 2.353 115 G HA2 -0.231 3.730 3.960 0.000 0.000 0.258 115 G HA3 -0.231 3.730 3.960 0.000 0.000 0.258 115 G C 0.944 175.853 174.900 0.015 0.000 1.013 115 G CA 0.633 45.805 45.100 0.120 0.000 0.622 115 G HN 1.160 nan 8.290 nan 0.000 0.535 116 G N -2.525 106.268 108.800 -0.011 0.000 2.231 116 G HA2 0.045 4.005 3.960 0.000 0.000 0.206 116 G HA3 0.045 4.005 3.960 0.000 0.000 0.206 116 G C 1.419 176.258 174.900 -0.103 0.000 0.996 116 G CA 1.674 46.745 45.100 -0.049 0.000 0.645 116 G HN 2.222 nan 8.290 nan 0.000 0.498 117 V N -4.044 115.750 119.914 -0.200 0.000 3.368 117 V HA 0.539 4.659 4.120 0.000 0.000 0.255 117 V C 0.946 176.896 176.094 -0.240 0.000 1.466 117 V CA -0.116 62.011 62.300 -0.288 0.000 1.095 117 V CB -0.317 31.217 31.823 -0.480 0.000 0.899 117 V HN 0.242 nan 8.190 nan 0.000 0.440 118 Y N 1.508 121.814 120.300 0.011 0.000 2.336 118 Y HA 0.737 5.287 4.550 0.000 0.000 0.331 118 Y C 1.342 177.252 175.900 0.015 0.000 1.211 118 Y CA 0.013 58.121 58.100 0.014 0.000 1.346 118 Y CB 1.381 39.849 38.460 0.013 0.000 1.271 118 Y HN 0.174 nan 8.280 nan 0.000 0.538 119 A N 2.840 125.785 122.820 0.208 0.000 2.387 119 A HA 0.265 4.585 4.320 0.000 0.000 0.234 119 A C 0.176 177.822 177.584 0.103 0.000 1.253 119 A CA -0.186 51.923 52.037 0.121 0.000 0.894 119 A CB -0.549 18.510 19.000 0.098 0.000 0.963 119 A HN 0.647 nan 8.150 nan 0.000 0.508 120 L N 1.402 122.692 121.223 0.113 0.000 2.448 120 L HA 0.202 4.542 4.340 0.000 0.000 0.278 120 L C 0.389 177.289 176.870 0.050 0.000 1.201 120 L CA -0.033 54.840 54.840 0.055 0.000 1.036 120 L CB -0.694 41.363 42.059 -0.003 0.000 1.325 120 L HN 0.321 nan 8.230 nan 0.000 0.441 121 N N 2.257 120.987 118.700 0.049 0.000 2.595 121 N HA 0.335 5.075 4.740 0.000 0.000 0.291 121 N C -0.045 175.490 175.510 0.042 0.000 1.706 121 N CA 0.609 53.683 53.050 0.040 0.000 0.867 121 N CB 0.862 39.373 38.487 0.039 0.000 1.414 121 N HN 0.724 nan 8.380 nan 0.000 0.492 122 G N -0.196 108.629 108.800 0.041 0.000 2.610 122 G HA2 0.008 3.968 3.960 0.000 0.000 0.304 122 G HA3 0.008 3.968 3.960 0.000 0.000 0.304 122 G C -0.666 174.280 174.900 0.077 0.000 1.309 122 G CA -0.333 44.794 45.100 0.047 0.000 0.906 122 G HN 0.779 nan 8.290 nan 0.000 0.521 123 T N -2.357 112.259 114.554 0.103 0.000 2.865 123 T HA 0.789 5.139 4.350 0.000 0.000 0.294 123 T C -0.354 174.540 174.700 0.322 0.000 1.119 123 T CA -0.719 61.490 62.100 0.182 0.000 1.007 123 T CB 2.184 71.169 68.868 0.196 0.000 1.225 123 T HN 1.101 nan 8.240 nan 0.000 0.515 124 I N 1.730 122.494 120.570 0.323 0.000 2.465 124 I HA 0.454 4.624 4.170 0.000 0.000 0.291 124 I C -0.919 175.303 176.117 0.174 0.000 1.014 124 I CA -1.017 60.478 61.300 0.325 0.000 1.093 124 I CB 2.089 40.218 38.000 0.214 0.000 1.267 124 I HN 0.568 nan 8.210 nan 0.000 0.431 125 N N 4.247 122.916 118.700 -0.052 0.000 2.361 125 N HA 0.811 5.551 4.740 0.000 0.000 0.302 125 N C -1.080 174.348 175.510 -0.135 0.000 1.074 125 N CA -0.458 52.422 53.050 -0.283 0.000 0.850 125 N CB 2.315 40.316 38.487 -0.810 0.000 1.228 125 N HN 0.713 nan 8.380 nan 0.000 0.491 126 A N 0.672 123.442 122.820 -0.084 0.000 2.515 126 A HA 0.794 5.114 4.320 0.000 0.000 0.298 126 A C -1.154 176.405 177.584 -0.042 0.000 1.059 126 A CA -0.595 51.423 52.037 -0.031 0.000 0.698 126 A CB 1.012 20.030 19.000 0.030 0.000 1.289 126 A HN 0.387 nan 8.150 nan 0.000 0.404 127 V N -1.136 118.765 119.914 -0.022 0.000 3.049 127 V HA 0.806 4.926 4.120 0.000 0.000 0.309 127 V C -0.309 175.803 176.094 0.030 0.000 1.148 127 V CA -0.717 61.579 62.300 -0.008 0.000 0.990 127 V CB 1.591 33.413 31.823 -0.001 0.000 1.039 127 V HN 0.805 nan 8.190 nan 0.000 0.430 128 T N 3.841 118.414 114.554 0.032 0.000 2.758 128 T HA 0.604 4.954 4.350 0.000 0.000 0.285 128 T C -0.929 173.839 174.700 0.113 0.000 0.981 128 T CA 0.091 62.226 62.100 0.059 0.000 0.965 128 T CB 0.736 69.610 68.868 0.011 0.000 0.927 128 T HN 0.664 nan 8.240 nan 0.000 0.448 129 F N 2.755 122.692 119.950 -0.022 0.000 2.436 129 F HA 0.345 4.872 4.527 0.000 0.000 0.340 129 F C 0.813 176.611 175.800 -0.003 0.000 1.113 129 F CA -0.960 57.030 58.000 -0.018 0.000 1.022 129 F CB 1.458 40.446 39.000 -0.019 0.000 1.128 129 F HN 0.461 nan 8.300 nan 0.000 0.466 130 Q N 4.603 124.020 119.800 -0.637 0.000 2.404 130 Q HA 0.319 4.659 4.340 0.000 0.000 0.272 130 Q C 0.021 175.596 176.000 -0.708 0.000 0.939 130 Q CA -0.143 55.351 55.803 -0.515 0.000 0.945 130 Q CB 0.028 28.562 28.738 -0.339 0.000 1.195 130 Q HN 0.886 nan 8.270 nan 0.000 0.415 131 G N -0.610 107.649 108.800 -0.902 0.000 2.645 131 G HA2 0.375 4.335 3.960 0.000 0.000 0.292 131 G HA3 0.375 4.335 3.960 0.000 0.000 0.292 131 G C -0.893 174.074 174.900 0.111 0.000 1.415 131 G CA -0.654 44.178 45.100 -0.446 0.000 0.785 131 G HN 0.205 nan 8.290 nan 0.000 0.483 132 S N -0.586 115.267 115.700 0.254 0.000 2.669 132 S HA 0.369 4.839 4.470 0.000 0.000 0.270 132 S C 1.454 176.262 174.600 0.348 0.000 1.225 132 S CA -0.407 57.972 58.200 0.299 0.000 0.991 132 S CB 1.482 64.823 63.200 0.234 0.000 0.987 132 S HN 0.925 nan 8.310 nan 0.000 0.552 133 L N 1.777 123.155 121.223 0.258 0.000 1.997 133 L HA -0.154 4.186 4.340 0.000 0.000 0.216 133 L C 2.569 179.486 176.870 0.078 0.000 1.074 133 L CA 2.735 57.640 54.840 0.109 0.000 0.763 133 L CB -1.526 40.569 42.059 0.061 0.000 0.890 133 L HN 1.000 nan 8.230 nan 0.000 0.434 134 S N -1.895 113.884 115.700 0.130 0.000 2.507 134 S HA -0.127 4.343 4.470 0.000 0.000 0.235 134 S C 1.609 176.268 174.600 0.098 0.000 0.988 134 S CA 1.002 59.268 58.200 0.110 0.000 0.944 134 S CB -0.633 62.620 63.200 0.088 0.000 0.762 134 S HN 0.682 nan 8.310 nan 0.000 0.526 135 E N 0.401 120.697 120.200 0.160 0.000 2.371 135 E HA 0.213 4.563 4.350 0.000 0.000 0.194 135 E C -0.150 176.483 176.600 0.056 0.000 1.012 135 E CA -0.148 56.376 56.400 0.208 0.000 0.860 135 E CB -0.081 29.855 29.700 0.393 0.000 0.811 135 E HN 0.524 nan 8.360 nan 0.000 0.502 136 L N 1.947 123.017 121.223 -0.255 0.000 2.513 136 L HA -0.041 4.299 4.340 0.000 0.000 0.272 136 L C 1.783 178.525 176.870 -0.212 0.000 1.187 136 L CA 0.120 54.631 54.840 -0.549 0.000 0.895 136 L CB 0.758 42.455 42.059 -0.604 0.000 1.147 136 L HN 0.166 nan 8.230 nan 0.000 0.483 137 T N -1.874 112.580 114.554 -0.167 0.000 2.985 137 T HA -0.020 4.330 4.350 0.000 0.000 0.266 137 T C 0.431 175.091 174.700 -0.067 0.000 1.076 137 T CA 0.314 62.371 62.100 -0.071 0.000 1.135 137 T CB 0.125 68.973 68.868 -0.034 0.000 0.890 137 T HN 0.506 nan 8.240 nan 0.000 0.480 138 D N 0.786 121.129 120.400 -0.095 0.000 2.736 138 D HA 0.314 4.954 4.640 0.000 0.000 0.243 138 D C 0.246 176.508 176.300 -0.063 0.000 1.304 138 D CA -0.690 53.277 54.000 -0.056 0.000 0.934 138 D CB 2.229 43.004 40.800 -0.042 0.000 1.382 138 D HN 0.099 nan 8.370 nan 0.000 0.571 139 V N 1.408 121.321 119.914 -0.002 0.000 3.276 139 V HA 0.303 4.423 4.120 0.000 0.000 0.319 139 V C 0.755 176.923 176.094 0.123 0.000 1.427 139 V CA -0.038 62.278 62.300 0.026 0.000 1.102 139 V CB -0.481 31.397 31.823 0.091 0.000 1.020 139 V HN 0.450 nan 8.190 nan 0.000 0.456 140 S N -0.707 115.059 115.700 0.110 0.000 2.585 140 S HA 0.251 4.721 4.470 0.000 0.000 0.273 140 S C 0.865 175.542 174.600 0.127 0.000 1.339 140 S CA 0.242 58.528 58.200 0.143 0.000 1.028 140 S CB 0.624 63.873 63.200 0.082 0.000 0.906 140 S HN 0.474 nan 8.310 nan 0.000 0.528 141 Y N 2.776 123.102 120.300 0.043 0.000 2.062 141 Y HA -0.323 4.227 4.550 0.000 0.000 0.276 141 Y C 2.094 178.002 175.900 0.014 0.000 1.189 141 Y CA 2.724 60.838 58.100 0.022 0.000 1.130 141 Y CB -0.509 37.955 38.460 0.006 0.000 0.959 141 Y HN 0.723 nan 8.280 nan 0.000 0.499 142 N N -0.254 118.529 118.700 0.139 0.000 2.216 142 N HA -0.078 4.662 4.740 0.000 0.000 0.183 142 N C 2.037 177.531 175.510 -0.026 0.000 1.017 142 N CA 1.280 54.357 53.050 0.045 0.000 0.861 142 N CB -1.000 37.549 38.487 0.103 0.000 0.986 142 N HN 0.544 nan 8.380 nan 0.000 0.428 143 G N 1.802 110.597 108.800 -0.008 0.000 2.432 143 G HA2 -0.143 3.817 3.960 0.000 0.000 0.219 143 G HA3 -0.143 3.817 3.960 0.000 0.000 0.219 143 G C 1.661 176.528 174.900 -0.055 0.000 1.135 143 G CA 0.190 45.275 45.100 -0.024 0.000 0.767 143 G HN 0.201 nan 8.290 nan 0.000 0.550 144 L N 0.118 121.293 121.223 -0.081 0.000 2.064 144 L HA -0.198 4.142 4.340 0.000 0.000 0.216 144 L C 2.937 179.755 176.870 -0.085 0.000 1.077 144 L CA 1.175 55.953 54.840 -0.103 0.000 0.766 144 L CB -0.439 41.535 42.059 -0.142 0.000 0.890 144 L HN 0.216 nan 8.230 nan 0.000 0.435 145 M N -0.618 118.927 119.600 -0.092 0.000 2.530 145 M HA -0.112 4.368 4.480 0.000 0.000 0.261 145 M C 1.751 178.026 176.300 -0.041 0.000 1.067 145 M CA 1.279 56.535 55.300 -0.073 0.000 1.071 145 M CB -0.966 31.589 32.600 -0.075 0.000 1.405 145 M HN 0.297 nan 8.290 nan 0.000 0.478 146 S N -1.129 114.552 115.700 -0.031 0.000 2.593 146 S HA 0.411 4.881 4.470 0.000 0.000 0.236 146 S C 1.658 176.265 174.600 0.013 0.000 0.991 146 S CA 0.188 58.381 58.200 -0.011 0.000 0.963 146 S CB 0.012 63.206 63.200 -0.010 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.913 124.743 122.820 0.016 0.000 2.067 147 A HA 0.170 4.490 4.320 0.000 0.000 0.219 147 A C 1.213 178.913 177.584 0.193 0.000 1.158 147 A CA 1.009 53.100 52.037 0.090 0.000 0.661 147 A CB -0.431 18.590 19.000 0.035 0.000 0.801 147 A HN 0.510 nan 8.150 nan 0.000 0.452 148 T N -3.712 110.899 114.554 0.095 0.000 2.901 148 T HA 0.628 4.978 4.350 0.000 0.000 0.293 148 T C 0.667 175.376 174.700 0.015 0.000 1.084 148 T CA -0.135 61.998 62.100 0.055 0.000 1.008 148 T CB 1.876 70.757 68.868 0.022 0.000 1.170 148 T HN 0.300 nan 8.240 nan 0.000 0.509 149 A N 0.690 123.509 122.820 -0.001 0.000 2.195 149 A HA 0.219 4.539 4.320 0.000 0.000 0.210 149 A C 0.708 178.274 177.584 -0.031 0.000 1.165 149 A CA -0.072 51.956 52.037 -0.015 0.000 0.806 149 A CB -0.717 18.274 19.000 -0.015 0.000 0.847 149 A HN 0.843 nan 8.150 nan 0.000 0.482 150 N N 0.462 119.139 118.700 -0.038 0.000 2.431 150 N HA 0.168 4.908 4.740 0.000 0.000 0.265 150 N C 0.673 176.140 175.510 -0.072 0.000 1.184 150 N CA -0.393 52.622 53.050 -0.058 0.000 0.943 150 N CB 0.895 39.342 38.487 -0.066 0.000 1.080 150 N HN 0.258 nan 8.380 nan 0.000 0.477 151 I N 2.854 123.377 120.570 -0.079 0.000 2.454 151 I HA -0.210 3.960 4.170 0.000 0.000 0.254 151 I C 1.083 177.118 176.117 -0.136 0.000 1.156 151 I CA 1.390 62.635 61.300 -0.093 0.000 1.433 151 I CB -0.081 37.869 38.000 -0.084 0.000 1.082 151 I HN 0.547 nan 8.210 nan 0.000 0.432 152 N N 0.465 119.069 118.700 -0.160 0.000 2.314 152 N HA 0.009 4.749 4.740 0.000 0.000 0.200 152 N C 0.190 175.562 175.510 -0.231 0.000 1.135 152 N CA 0.388 53.294 53.050 -0.240 0.000 0.835 152 N CB 0.034 38.365 38.487 -0.259 0.000 0.989 152 N HN 0.416 nan 8.380 nan 0.000 0.478 153 D N 0.345 120.652 120.400 -0.155 0.000 2.479 153 D HA 0.077 4.717 4.640 0.000 0.000 0.218 153 D C 0.088 176.335 176.300 -0.089 0.000 1.177 153 D CA 0.207 54.137 54.000 -0.117 0.000 0.830 153 D CB 0.854 41.608 40.800 -0.077 0.000 1.014 153 D HN 0.396 nan 8.370 nan 0.000 0.503 154 K N -0.083 120.253 120.400 -0.107 0.000 2.502 154 K HA 0.656 4.976 4.320 0.000 0.000 0.257 154 K C -1.447 175.094 176.600 -0.098 0.000 0.938 154 K CA -0.893 55.343 56.287 -0.084 0.000 0.819 154 K CB 2.637 35.097 32.500 -0.067 0.000 1.333 154 K HN -0.178 nan 8.250 nan 0.000 0.434 155 I N 0.756 121.280 120.570 -0.077 0.000 2.656 155 I HA 0.522 4.692 4.170 0.000 0.000 0.292 155 I C -1.197 174.892 176.117 -0.047 0.000 1.144 155 I CA -0.082 61.183 61.300 -0.059 0.000 1.038 155 I CB 2.437 40.411 38.000 -0.043 0.000 1.244 155 I HN 0.872 nan 8.210 nan 0.000 0.420 156 G N 4.279 113.060 108.800 -0.031 0.000 2.470 156 G HA2 0.421 4.381 3.960 0.000 0.000 0.320 156 G HA3 0.421 4.381 3.960 0.000 0.000 0.320 156 G C -0.481 174.436 174.900 0.028 0.000 1.245 156 G CA -0.465 44.619 45.100 -0.027 0.000 0.935 156 G HN 0.677 nan 8.290 nan 0.000 0.476 157 N N -0.220 118.523 118.700 0.072 0.000 2.738 157 N HA -0.168 4.572 4.740 0.000 0.000 0.249 157 N C 0.325 175.903 175.510 0.112 0.000 1.047 157 N CA 0.668 53.803 53.050 0.141 0.000 0.707 157 N CB -1.065 37.498 38.487 0.127 0.000 0.937 157 N HN 0.413 nan 8.380 nan 0.000 0.545 158 V N 1.127 121.108 119.914 0.111 0.000 2.614 158 V HA 0.102 4.222 4.120 0.000 0.000 0.291 158 V C 1.461 177.625 176.094 0.115 0.000 1.049 158 V CA -0.521 61.840 62.300 0.103 0.000 1.038 158 V CB 0.999 32.883 31.823 0.101 0.000 0.980 158 V HN 0.173 nan 8.190 nan 0.000 0.481 159 L N 4.779 126.060 121.223 0.097 0.000 2.499 159 L HA 0.049 4.389 4.340 0.000 0.000 0.273 159 L C 1.473 178.398 176.870 0.092 0.000 1.195 159 L CA -0.030 54.864 54.840 0.091 0.000 0.882 159 L CB 0.571 42.677 42.059 0.078 0.000 1.133 159 L HN 0.506 nan 8.230 nan 0.000 0.483 160 V N 3.530 123.497 119.914 0.089 0.000 2.490 160 V HA -0.203 3.917 4.120 0.000 0.000 0.250 160 V C 2.268 178.394 176.094 0.053 0.000 1.061 160 V CA 2.188 64.533 62.300 0.074 0.000 1.064 160 V CB -0.729 31.130 31.823 0.060 0.000 0.670 160 V HN 1.114 nan 8.190 nan 0.000 0.461 161 G N -0.751 108.084 108.800 0.057 0.000 2.422 161 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 161 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 161 G C 1.554 176.486 174.900 0.054 0.000 1.146 161 G CA 0.931 46.062 45.100 0.053 0.000 0.769 161 G HN 0.572 nan 8.290 nan 0.000 0.547 162 E N 0.129 120.368 120.200 0.065 0.000 2.051 162 E HA 0.264 4.614 4.350 0.000 0.000 0.189 162 E C 1.347 177.988 176.600 0.069 0.000 0.979 162 E CA 0.792 57.233 56.400 0.068 0.000 0.803 162 E CB -0.122 29.624 29.700 0.078 0.000 0.761 162 E HN 0.464 nan 8.360 nan 0.000 0.451 163 G N -0.112 108.733 108.800 0.075 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 -0.957 173.996 174.900 0.089 0.000 1.320 163 G CA -0.314 44.831 45.100 0.074 0.000 0.860 163 G HN 0.287 nan 8.290 nan 0.000 0.538 164 V N 0.205 120.170 119.914 0.086 0.000 2.769 164 V HA 0.823 4.943 4.120 0.000 0.000 0.312 164 V C 0.323 176.447 176.094 0.050 0.000 1.061 164 V CA -0.116 62.241 62.300 0.095 0.000 0.931 164 V CB 2.373 34.261 31.823 0.109 0.000 1.010 164 V HN 1.165 nan 8.190 nan 0.000 0.433 165 T N 3.663 118.241 114.554 0.040 0.000 2.792 165 T HA 0.510 4.860 4.350 0.000 0.000 0.280 165 T C -0.564 174.103 174.700 -0.055 0.000 0.990 165 T CA -0.303 61.727 62.100 -0.118 0.000 0.960 165 T CB 1.427 70.050 68.868 -0.408 0.000 0.939 165 T HN 0.339 nan 8.240 nan 0.000 0.439 166 V N 4.837 124.661 119.914 -0.151 0.000 2.383 166 V HA 0.465 4.585 4.120 0.000 0.000 0.275 166 V C -0.317 175.670 176.094 -0.177 0.000 1.036 166 V CA -0.732 61.487 62.300 -0.135 0.000 0.889 166 V CB 1.163 32.821 31.823 -0.276 0.000 0.985 166 V HN 0.644 nan 8.190 nan 0.000 0.459 167 L N 4.958 126.151 121.223 -0.050 0.000 2.333 167 L HA 0.591 4.931 4.340 0.000 0.000 0.280 167 L C 0.232 177.094 176.870 -0.014 0.000 1.004 167 L CA 0.258 55.072 54.840 -0.044 0.000 0.820 167 L CB 2.045 44.164 42.059 0.101 0.000 1.247 167 L HN 0.629 nan 8.230 nan 0.000 0.416 168 S N 5.966 121.644 115.700 -0.037 0.000 2.439 168 S HA 0.550 5.020 4.470 0.000 0.000 0.282 168 S C -0.442 174.158 174.600 -0.000 0.000 1.170 168 S CA -0.535 57.655 58.200 -0.017 0.000 1.054 168 S CB -0.269 62.919 63.200 -0.019 0.000 0.956 168 S HN 0.604 nan 8.310 nan 0.000 0.490 169 L N 6.466 127.687 121.223 -0.004 0.000 2.331 169 L HA 0.571 4.911 4.340 0.000 0.000 0.275 169 L C -1.764 175.079 176.870 -0.046 0.000 1.022 169 L CA -2.362 52.472 54.840 -0.009 0.000 0.812 169 L CB 1.566 43.615 42.059 -0.016 0.000 1.257 169 L HN 0.529 nan 8.230 nan 0.000 0.435 170 P HA 0.082 nan 4.420 nan 0.000 0.271 170 P C -0.560 176.595 177.300 -0.242 0.000 1.218 170 P CA -0.197 62.761 63.100 -0.238 0.000 0.780 170 P CB 0.666 32.029 31.700 -0.562 0.000 0.901 171 T N -2.068 112.334 114.554 -0.254 0.000 3.331 171 T HA 0.489 4.839 4.350 0.000 0.000 0.381 171 T C -0.251 174.283 174.700 -0.277 0.000 1.656 171 T CA -0.678 61.291 62.100 -0.219 0.000 1.453 171 T CB -0.794 67.985 68.868 -0.148 0.000 1.066 171 T HN 0.633 nan 8.240 nan 0.000 0.655 172 S N 1.323 116.819 115.700 -0.340 0.000 2.912 172 S HA -0.103 4.367 4.470 0.000 0.000 0.857 172 S C -0.779 173.564 174.600 -0.430 0.000 0.919 172 S CA -0.679 57.336 58.200 -0.309 0.000 1.424 172 S CB -1.043 62.025 63.200 -0.220 0.000 1.019 172 S HN 0.717 nan 8.310 nan 0.000 0.231 173 Y N 2.109 122.377 120.300 -0.054 0.000 2.645 173 Y HA 0.464 5.014 4.550 0.000 0.000 0.341 173 Y C 1.329 177.191 175.900 -0.063 0.000 1.234 173 Y CA -0.230 57.835 58.100 -0.059 0.000 1.352 173 Y CB 0.421 38.848 38.460 -0.055 0.000 1.556 173 Y HN 0.772 nan 8.280 nan 0.000 0.607 174 D N 0.764 121.257 120.400 0.156 0.000 2.737 174 D HA -0.187 4.453 4.640 0.000 0.000 0.233 174 D C -1.064 175.263 176.300 0.045 0.000 1.155 174 D CA 0.761 54.804 54.000 0.070 0.000 0.667 174 D CB -1.100 39.731 40.800 0.052 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.093 121.152 121.223 0.036 0.000 2.395 175 L HA 0.400 4.740 4.340 0.000 0.000 0.269 175 L C 1.822 178.772 176.870 0.133 0.000 1.133 175 L CA -0.155 54.696 54.840 0.018 0.000 0.812 175 L CB 0.875 42.887 42.059 -0.078 0.000 1.125 175 L HN 0.033 nan 8.230 nan 0.000 0.452 176 G N 0.669 109.616 108.800 0.244 0.000 2.606 176 G HA2 0.163 4.123 3.960 0.000 0.000 0.252 176 G HA3 0.163 4.123 3.960 0.000 0.000 0.252 176 G C -0.863 174.195 174.900 0.263 0.000 1.206 176 G CA -0.335 44.925 45.100 0.267 0.000 0.861 176 G HN 0.346 nan 8.290 nan 0.000 0.561 177 Y N -0.419 119.946 120.300 0.108 0.000 2.511 177 Y HA 0.225 4.775 4.550 0.000 0.000 0.332 177 Y C 0.899 176.856 175.900 0.095 0.000 1.177 177 Y CA 0.215 58.377 58.100 0.102 0.000 1.422 177 Y CB 1.009 39.506 38.460 0.062 0.000 1.271 177 Y HN 0.150 nan 8.280 nan 0.000 0.550 178 V N 5.404 125.355 119.914 0.061 0.000 2.439 178 V HA 0.309 4.429 4.120 0.000 0.000 0.282 178 V C 0.158 176.253 176.094 0.002 0.000 1.039 178 V CA -1.199 61.010 62.300 -0.152 0.000 0.913 178 V CB 1.351 32.849 31.823 -0.542 0.000 0.983 178 V HN 0.634 nan 8.190 nan 0.000 0.460 179 R N 3.862 124.320 120.500 -0.069 0.000 2.401 179 R HA 0.365 4.705 4.340 0.000 0.000 0.299 179 R C -0.431 175.736 176.300 -0.222 0.000 1.064 179 R CA -0.325 55.585 56.100 -0.316 0.000 1.000 179 R CB 0.288 30.362 30.300 -0.376 0.000 0.973 179 R HN 0.625 nan 8.270 nan 0.000 0.438 180 L N 2.163 123.260 121.223 -0.211 0.000 2.479 180 L HA 0.235 4.575 4.340 0.000 0.000 0.248 180 L C 1.505 178.319 176.870 -0.094 0.000 1.205 180 L CA -0.097 54.675 54.840 -0.112 0.000 0.817 180 L CB 0.548 42.567 42.059 -0.067 0.000 1.162 180 L HN 0.804 nan 8.230 nan 0.000 0.486 181 G N 0.212 108.993 108.800 -0.032 0.000 3.455 181 G HA2 0.034 3.994 3.960 0.000 0.000 0.250 181 G HA3 0.034 3.994 3.960 0.000 0.000 0.250 181 G C -0.048 174.832 174.900 -0.034 0.000 1.071 181 G CA -0.399 44.687 45.100 -0.024 0.000 1.812 181 G HN 0.711 nan 8.290 nan 0.000 0.643 182 D N 1.118 121.479 120.400 -0.065 0.000 2.389 182 D HA 0.136 4.776 4.640 0.000 0.000 0.247 182 D C -2.475 173.796 176.300 -0.048 0.000 1.128 182 D CA -1.567 52.398 54.000 -0.057 0.000 0.884 182 D CB 1.902 42.653 40.800 -0.083 0.000 1.194 182 D HN 0.068 nan 8.370 nan 0.000 0.441 183 P HA 0.150 nan 4.420 nan 0.000 0.268 183 P C -0.446 176.835 177.300 -0.032 0.000 1.205 183 P CA -0.409 62.675 63.100 -0.027 0.000 0.771 183 P CB 0.835 32.522 31.700 -0.021 0.000 0.858 184 I N 5.125 125.679 120.570 -0.027 0.000 2.562 184 I HA 0.405 4.575 4.170 0.000 0.000 0.301 184 I C -2.231 173.875 176.117 -0.019 0.000 1.003 184 I CA -3.102 58.183 61.300 -0.026 0.000 1.127 184 I CB 1.244 39.227 38.000 -0.027 0.000 1.304 184 I HN 0.208 nan 8.210 nan 0.000 0.446 185 P HA 0.436 nan 4.420 nan 0.000 0.267 185 P C -1.550 175.744 177.300 -0.011 0.000 1.209 185 P CA -0.153 62.939 63.100 -0.013 0.000 0.763 185 P CB 0.476 32.170 31.700 -0.011 0.000 0.816 186 A N 3.487 126.302 122.820 -0.009 0.000 2.566 186 A HA 0.688 5.008 4.320 0.000 0.000 0.297 186 A C -0.780 176.800 177.584 -0.006 0.000 1.059 186 A CA -0.694 51.338 52.037 -0.007 0.000 0.691 186 A CB 0.969 19.965 19.000 -0.008 0.000 1.282 186 A HN 0.568 nan 8.150 nan 0.000 0.401 187 I N -0.499 120.068 120.570 -0.005 0.000 2.603 187 I HA 1.008 5.178 4.170 0.000 0.000 0.300 187 I C 0.123 176.238 176.117 -0.003 0.000 1.017 187 I CA -0.859 60.439 61.300 -0.004 0.000 1.098 187 I CB 2.432 40.430 38.000 -0.004 0.000 1.279 187 I HN 0.975 nan 8.210 nan 0.000 0.437 188 G N 3.827 112.625 108.800 -0.003 0.000 2.673 188 G HA2 0.410 4.370 3.960 0.000 0.000 0.292 188 G HA3 0.410 4.370 3.960 0.000 0.000 0.292 188 G C -0.212 174.686 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.220 45.100 -0.002 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.351 120.871 121.223 -0.002 0.000 2.201 189 L HA 0.058 4.398 4.340 0.000 0.000 0.212 189 L C 0.825 177.694 176.870 -0.001 0.000 1.105 189 L CA 0.693 55.532 54.840 -0.002 0.000 0.775 189 L CB 0.082 42.140 42.059 -0.002 0.000 0.913 189 L HN 0.382 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 0.117 4.757 4.640 0.000 0.000 0.248 190 D C -1.534 174.766 176.300 0.000 0.000 1.154 190 D CA -2.016 51.984 54.000 -0.001 0.000 0.857 190 D CB 1.763 42.562 40.800 -0.001 0.000 1.117 190 D HN -0.172 nan 8.370 nan 0.000 0.468 191 P HA -0.142 nan 4.420 nan 0.000 0.216 191 P C 0.475 177.776 177.300 0.002 0.000 1.154 191 P CA 1.342 64.443 63.100 0.001 0.000 0.865 191 P CB 0.263 31.964 31.700 0.002 0.000 0.789 192 K N -1.392 119.010 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 0.000 0.000 0.199 192 K C 0.758 177.360 176.600 0.003 0.000 1.028 192 K CA -0.240 56.049 56.287 0.004 0.000 1.164 192 K CB -0.306 32.197 32.500 0.004 0.000 0.877 192 K HN 0.198 nan 8.250 nan 0.000 0.508 193 M N 1.952 121.553 119.600 0.002 0.000 2.219 193 M HA 0.084 4.564 4.480 0.000 0.000 0.353 193 M C -1.066 175.234 176.300 0.001 0.000 1.304 193 M CA 0.336 55.637 55.300 0.001 0.000 1.115 193 M CB 0.690 33.290 32.600 -0.001 0.000 1.664 193 M HN -0.206 nan 8.290 nan 0.000 0.459 194 V N 4.673 124.587 119.914 0.001 0.000 2.623 194 V HA 0.724 4.844 4.120 0.000 0.000 0.304 194 V C -0.687 175.407 176.094 -0.002 0.000 1.054 194 V CA -0.832 61.468 62.300 0.001 0.000 0.882 194 V CB 1.687 33.512 31.823 0.004 0.000 1.002 194 V HN 0.949 nan 8.190 nan 0.000 0.424 195 A N 3.444 126.261 122.820 -0.006 0.000 2.357 195 A HA 0.912 5.232 4.320 0.000 0.000 0.295 195 A C -0.115 177.460 177.584 -0.016 0.000 1.121 195 A CA -0.289 51.742 52.037 -0.010 0.000 0.742 195 A CB 1.494 20.488 19.000 -0.011 0.000 1.181 195 A HN 0.941 nan 8.150 nan 0.000 0.454 196 T N -1.913 112.629 114.554 -0.020 0.000 2.907 196 T HA 0.605 4.955 4.350 0.000 0.000 0.290 196 T C -0.631 174.042 174.700 -0.045 0.000 1.066 196 T CA -0.793 61.289 62.100 -0.030 0.000 1.012 196 T CB 1.465 70.320 68.868 -0.022 0.000 1.184 196 T HN 1.036 nan 8.240 nan 0.000 0.522 197 C N 2.356 121.618 119.300 -0.063 0.000 2.293 197 C HA 0.633 5.093 4.460 0.000 0.000 0.323 197 C C -0.818 174.112 174.990 -0.100 0.000 1.240 197 C CA -0.493 58.475 59.018 -0.084 0.000 1.497 197 C CB -1.107 26.575 27.740 -0.096 0.000 2.171 197 C HN 0.880 nan 8.230 nan 0.000 0.465 198 D N 2.939 123.281 120.400 -0.097 0.000 2.277 198 D HA 0.295 4.935 4.640 0.000 0.000 0.250 198 D C -0.023 176.225 176.300 -0.087 0.000 1.032 198 D CA 0.013 53.966 54.000 -0.079 0.000 0.947 198 D CB 1.513 42.279 40.800 -0.057 0.000 1.159 198 D HN 0.550 nan 8.370 nan 0.000 0.460 199 S N 0.066 115.726 115.700 -0.067 0.000 2.629 199 S HA 0.110 4.580 4.470 0.000 0.000 0.302 199 S C 1.075 175.664 174.600 -0.019 0.000 1.244 199 S CA -0.116 58.037 58.200 -0.079 0.000 1.098 199 S CB 0.110 63.246 63.200 -0.106 0.000 0.858 199 S HN 0.521 nan 8.310 nan 0.000 0.502 200 S N 1.306 116.994 115.700 -0.020 0.000 2.930 200 S HA 0.120 4.590 4.470 0.000 0.000 0.253 200 S C -0.348 174.286 174.600 0.057 0.000 1.083 200 S CA -0.533 57.676 58.200 0.016 0.000 0.836 200 S CB -0.456 62.713 63.200 -0.052 0.000 0.814 200 S HN 0.570 nan 8.310 nan 0.000 0.467 201 D N 3.469 123.898 120.400 0.049 0.000 2.571 201 D HA 0.230 4.870 4.640 0.000 0.000 0.231 201 D C 0.079 176.448 176.300 0.116 0.000 1.133 201 D CA 0.674 54.725 54.000 0.085 0.000 0.862 201 D CB -0.063 40.802 40.800 0.108 0.000 1.179 201 D HN 0.177 nan 8.370 nan 0.000 0.474 202 R N -0.313 120.251 120.500 0.105 0.000 3.055 202 R HA -0.099 4.241 4.340 0.000 0.000 0.265 202 R C -2.518 173.831 176.300 0.082 0.000 0.947 202 R CA -0.052 56.106 56.100 0.097 0.000 0.652 202 R CB -1.794 28.595 30.300 0.149 0.000 1.367 202 R HN 0.446 nan 8.270 nan 0.000 0.441 203 P HA 0.108 nan 4.420 nan 0.000 0.274 203 P C -0.324 176.976 177.300 -0.001 0.000 1.231 203 P CA -0.145 62.990 63.100 0.058 0.000 0.790 203 P CB 0.781 32.527 31.700 0.075 0.000 0.951 204 R N 1.537 122.017 120.500 -0.034 0.000 2.346 204 R HA 0.514 4.854 4.340 0.000 0.000 0.311 204 R C -1.376 174.818 176.300 -0.178 0.000 0.983 204 R CA -0.731 55.289 56.100 -0.134 0.000 0.880 204 R CB 0.893 31.098 30.300 -0.159 0.000 1.100 204 R HN 0.265 nan 8.270 nan 0.000 0.453 205 V N 5.715 125.484 119.914 -0.243 0.000 2.444 205 V HA 0.332 4.452 4.120 0.000 0.000 0.294 205 V C -1.208 174.721 176.094 -0.275 0.000 1.022 205 V CA -0.735 61.459 62.300 -0.177 0.000 0.850 205 V CB 1.391 33.165 31.823 -0.082 0.000 0.992 205 V HN 0.679 nan 8.190 nan 0.000 0.426 206 Y N 2.035 122.318 120.300 -0.029 0.000 2.326 206 Y HA 0.534 5.084 4.550 0.000 0.000 0.337 206 Y C 0.919 176.783 175.900 -0.059 0.000 1.023 206 Y CA -0.446 57.632 58.100 -0.036 0.000 1.143 206 Y CB 1.607 40.051 38.460 -0.028 0.000 1.183 206 Y HN 0.508 nan 8.280 nan 0.000 0.485 207 T N 5.510 120.102 114.554 0.064 0.000 2.771 207 T HA 0.594 4.944 4.350 0.000 0.000 0.281 207 T C -0.345 174.316 174.700 -0.064 0.000 0.982 207 T CA -0.530 61.562 62.100 -0.014 0.000 0.978 207 T CB 0.347 69.196 68.868 -0.032 0.000 0.930 207 T HN 0.405 nan 8.240 nan 0.000 0.447 208 I N 2.954 123.430 120.570 -0.157 0.000 2.466 208 I HA 0.204 4.374 4.170 0.000 0.000 0.279 208 I C 0.171 176.083 176.117 -0.341 0.000 1.033 208 I CA -0.713 60.403 61.300 -0.306 0.000 1.123 208 I CB 1.570 39.247 38.000 -0.539 0.000 1.237 208 I HN 0.508 nan 8.210 nan 0.000 0.460 209 T N 5.340 119.746 114.554 -0.248 0.000 2.848 209 T HA 0.155 4.505 4.350 0.000 0.000 0.283 209 T C 1.300 175.847 174.700 -0.254 0.000 0.919 209 T CA -0.159 61.821 62.100 -0.200 0.000 1.071 209 T CB 0.973 69.771 68.868 -0.116 0.000 0.912 209 T HN 0.745 nan 8.240 nan 0.000 0.570 210 A N 2.806 125.439 122.820 -0.311 0.000 2.066 210 A HA 0.530 4.850 4.320 0.000 0.000 0.218 210 A C 1.229 178.776 177.584 -0.061 0.000 1.157 210 A CA 0.626 52.493 52.037 -0.283 0.000 0.670 210 A CB 0.077 18.984 19.000 -0.155 0.000 0.804 210 A HN 0.923 nan 8.150 nan 0.000 0.453 211 A N -0.943 121.854 122.820 -0.039 0.000 2.555 211 A HA 0.534 4.854 4.320 0.000 0.000 0.297 211 A C -1.939 175.663 177.584 0.030 0.000 1.060 211 A CA -0.360 51.705 52.037 0.045 0.000 0.710 211 A CB 0.949 20.019 19.000 0.118 0.000 1.282 211 A HN 0.009 nan 8.150 nan 0.000 0.399 212 D N 2.192 122.633 120.400 0.069 0.000 2.404 212 D HA 0.429 5.069 4.640 0.000 0.000 0.267 212 D C -0.774 175.578 176.300 0.086 0.000 1.194 212 D CA 0.316 54.346 54.000 0.051 0.000 0.910 212 D CB 0.253 41.072 40.800 0.031 0.000 1.090 212 D HN 0.460 nan 8.370 nan 0.000 0.511 213 D N 1.949 122.401 120.400 0.086 0.000 2.697 213 D HA -0.297 4.343 4.640 0.000 0.000 0.238 213 D C -0.567 175.824 176.300 0.152 0.000 1.152 213 D CA 0.521 54.580 54.000 0.099 0.000 0.666 213 D CB -1.700 39.136 40.800 0.061 0.000 1.037 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.252 121.614 120.300 0.103 0.000 2.436 214 Y HA 0.157 4.707 4.550 0.000 0.000 0.336 214 Y C 0.567 176.558 175.900 0.152 0.000 1.049 214 Y CA -0.051 58.127 58.100 0.130 0.000 1.294 214 Y CB 0.643 39.208 38.460 0.175 0.000 1.179 214 Y HN -0.019 nan 8.280 nan 0.000 0.520 215 Q N 7.803 127.192 119.800 -0.685 0.000 2.337 215 Q HA 0.114 4.454 4.340 0.000 0.000 0.255 215 Q C -1.113 174.318 176.000 -0.948 0.000 0.997 215 Q CA -0.250 55.204 55.803 -0.581 0.000 0.925 215 Q CB 0.898 29.429 28.738 -0.344 0.000 1.212 215 Q HN 0.714 nan 8.270 nan 0.000 0.436 216 F N 1.678 121.095 119.950 -0.888 0.000 2.399 216 F HA 0.424 4.951 4.527 0.000 0.000 0.334 216 F C -0.277 175.159 175.800 -0.607 0.000 1.097 216 F CA -0.346 57.102 58.000 -0.920 0.000 1.076 216 F CB 1.443 39.351 39.000 -1.820 0.000 1.162 216 F HN 0.328 nan 8.300 nan 0.000 0.495 217 S N 4.196 119.125 115.700 -1.286 0.000 2.626 217 S HA 0.563 5.033 4.470 0.000 0.000 0.275 217 S C -1.432 172.624 174.600 -0.907 0.000 1.175 217 S CA -0.381 57.291 58.200 -0.880 0.000 0.982 217 S CB 0.859 63.791 63.200 -0.447 0.000 1.093 217 S HN 1.014 nan 8.310 nan 0.000 0.472 218 S N 3.493 118.766 115.700 -0.712 0.000 2.552 218 S HA 0.460 4.930 4.470 0.000 0.000 0.272 218 S C -1.628 172.892 174.600 -0.133 0.000 1.150 218 S CA -0.622 57.342 58.200 -0.394 0.000 0.849 218 S CB 1.536 64.495 63.200 -0.401 0.000 1.113 218 S HN 0.774 nan 8.310 nan 0.000 0.458 219 Q N 1.657 121.424 119.800 -0.055 0.000 2.373 219 Q HA 0.222 4.562 4.340 0.000 0.000 0.255 219 Q C -0.700 175.357 176.000 0.095 0.000 0.980 219 Q CA -0.253 55.570 55.803 0.033 0.000 0.882 219 Q CB 0.524 29.278 28.738 0.026 0.000 1.249 219 Q HN 0.704 nan 8.270 nan 0.000 0.438 220 Y N 1.640 121.961 120.300 0.035 0.000 2.702 220 Y HA -0.011 4.539 4.550 0.000 0.000 0.336 220 Y C -0.633 175.295 175.900 0.046 0.000 1.235 220 Y CA 0.421 58.554 58.100 0.055 0.000 1.492 220 Y CB 0.557 39.046 38.460 0.049 0.000 1.308 220 Y HN 0.506 nan 8.280 nan 0.000 0.589 221 Q N 7.032 126.317 119.800 -0.858 0.000 2.289 221 Q HA 0.445 4.785 4.340 0.000 0.000 0.270 221 Q C -2.830 172.631 176.000 -0.899 0.000 1.038 221 Q CA -2.363 52.942 55.803 -0.830 0.000 0.812 221 Q CB 2.284 30.841 28.738 -0.302 0.000 1.300 221 Q HN 0.448 nan 8.270 nan 0.000 0.427 222 P HA 0.129 nan 4.420 nan 0.000 0.263 222 P C 0.414 177.638 177.300 -0.126 0.000 1.195 222 P CA 1.310 64.268 63.100 -0.238 0.000 0.762 222 P CB 0.649 32.312 31.700 -0.061 0.000 0.799 223 G N 1.968 110.742 108.800 -0.043 0.000 2.217 223 G HA2 0.065 4.025 3.960 0.000 0.000 0.246 223 G HA3 0.065 4.025 3.960 0.000 0.000 0.246 223 G C 0.482 175.372 174.900 -0.017 0.000 0.990 223 G CA 0.143 45.232 45.100 -0.018 0.000 0.627 223 G HN 1.063 nan 8.290 nan 0.000 0.522 224 G N -2.444 106.329 108.800 -0.044 0.000 2.592 224 G HA2 0.342 4.302 3.960 0.000 0.000 0.684 224 G HA3 0.342 4.302 3.960 0.000 0.000 0.684 224 G C -0.639 174.264 174.900 0.004 0.000 1.291 224 G CA 0.049 45.149 45.100 -0.001 0.000 0.891 224 G HN 1.550 nan 8.290 nan 0.000 0.544 225 V N 0.643 120.600 119.914 0.072 0.000 2.531 225 V HA 0.713 4.833 4.120 0.000 0.000 0.301 225 V C 0.275 176.451 176.094 0.136 0.000 1.034 225 V CA -0.219 62.151 62.300 0.117 0.000 0.865 225 V CB 1.895 33.846 31.823 0.213 0.000 0.995 225 V HN 1.091 nan 8.190 nan 0.000 0.424 226 T N 6.353 120.974 114.554 0.113 0.000 2.794 226 T HA 0.753 5.103 4.350 0.000 0.000 0.280 226 T C -0.224 174.561 174.700 0.141 0.000 0.987 226 T CA -0.198 61.966 62.100 0.106 0.000 0.993 226 T CB 1.128 70.037 68.868 0.069 0.000 0.939 226 T HN 0.641 nan 8.240 nan 0.000 0.449 227 I N -0.835 119.832 120.570 0.163 0.000 2.846 227 I HA 0.721 4.891 4.170 0.000 0.000 0.307 227 I C -0.471 175.718 176.117 0.120 0.000 1.053 227 I CA -0.966 60.441 61.300 0.179 0.000 1.050 227 I CB 2.210 40.390 38.000 0.301 0.000 1.239 227 I HN 0.305 nan 8.210 nan 0.000 0.439 228 T N 4.367 118.966 114.554 0.075 0.000 2.753 228 T HA 0.260 4.610 4.350 0.000 0.000 0.297 228 T C 0.652 175.375 174.700 0.037 0.000 0.981 228 T CA -0.296 61.815 62.100 0.018 0.000 0.956 228 T CB 1.377 70.218 68.868 -0.044 0.000 0.936 228 T HN 0.591 nan 8.240 nan 0.000 0.463 229 L N 4.527 125.782 121.223 0.053 0.000 2.056 229 L HA 0.304 4.644 4.340 0.000 0.000 0.207 229 L C 0.132 177.089 176.870 0.144 0.000 1.078 229 L CA 1.695 56.605 54.840 0.118 0.000 0.749 229 L CB -0.358 41.849 42.059 0.245 0.000 0.901 229 L HN 0.739 nan 8.230 nan 0.000 0.433 230 F N -2.359 117.586 119.950 -0.008 0.000 2.719 230 F HA 0.608 5.135 4.527 0.000 0.000 0.309 230 F C -0.848 174.939 175.800 -0.022 0.000 1.138 230 F CA -0.719 57.261 58.000 -0.033 0.000 0.943 230 F CB 0.317 39.288 39.000 -0.049 0.000 1.304 230 F HN -0.118 nan 8.300 nan 0.000 0.445 231 S N 1.877 117.670 115.700 0.154 0.000 2.548 231 S HA 0.989 5.459 4.470 0.000 0.000 0.286 231 S C -1.275 173.451 174.600 0.209 0.000 1.098 231 S CA -0.127 58.122 58.200 0.081 0.000 0.930 231 S CB 1.652 64.839 63.200 -0.021 0.000 1.070 231 S HN 2.029 nan 8.310 nan 0.000 0.480 232 A N 2.143 125.058 122.820 0.158 0.000 2.520 232 A HA 0.719 5.039 4.320 0.000 0.000 0.298 232 A C -1.163 176.405 177.584 -0.026 0.000 1.051 232 A CA -0.983 51.098 52.037 0.073 0.000 0.690 232 A CB 0.984 20.027 19.000 0.071 0.000 1.281 232 A HN 0.782 nan 8.150 nan 0.000 0.402 233 N N 1.205 119.879 118.700 -0.043 0.000 2.416 233 N HA 0.456 5.196 4.740 0.000 0.000 0.265 233 N C -0.191 175.197 175.510 -0.203 0.000 1.195 233 N CA 0.381 53.391 53.050 -0.066 0.000 0.943 233 N CB 0.086 38.570 38.487 -0.005 0.000 1.115 233 N HN 0.686 nan 8.380 nan 0.000 0.481 234 I N -2.183 118.222 120.570 -0.276 0.000 3.108 234 I HA 0.664 4.834 4.170 0.000 0.000 0.312 234 I C -0.887 175.147 176.117 -0.138 0.000 1.095 234 I CA -0.942 60.027 61.300 -0.551 0.000 1.000 234 I CB 2.455 39.961 38.000 -0.822 0.000 1.229 234 I HN 0.049 nan 8.210 nan 0.000 0.454 235 D N 2.227 122.649 120.400 0.036 0.000 2.646 235 D HA 0.748 5.388 4.640 0.000 0.000 0.245 235 D C -1.150 175.225 176.300 0.125 0.000 1.099 235 D CA -0.216 53.859 54.000 0.124 0.000 0.849 235 D CB 2.335 43.251 40.800 0.192 0.000 1.448 235 D HN 0.932 nan 8.370 nan 0.000 0.489 236 A N 1.709 124.570 122.820 0.067 0.000 2.555 236 A HA 0.500 4.820 4.320 0.000 0.000 0.297 236 A C -0.354 177.224 177.584 -0.010 0.000 1.060 236 A CA -0.516 51.546 52.037 0.042 0.000 0.710 236 A CB 0.753 19.775 19.000 0.036 0.000 1.282 236 A HN 0.520 nan 8.150 nan 0.000 0.399 237 I N 0.467 121.014 120.570 -0.038 0.000 4.244 237 I HA 0.141 4.311 4.170 0.000 0.000 0.318 237 I C 1.171 177.267 176.117 -0.035 0.000 1.282 237 I CA 0.980 62.214 61.300 -0.109 0.000 1.276 237 I CB 0.704 38.518 38.000 -0.311 0.000 1.183 237 I HN 0.779 nan 8.210 nan 0.000 0.431 238 T N -1.533 113.041 114.554 0.034 0.000 2.762 238 T HA 0.436 4.786 4.350 0.000 0.000 0.272 238 T C 0.344 175.086 174.700 0.069 0.000 0.982 238 T CA -0.444 61.696 62.100 0.067 0.000 1.013 238 T CB 1.154 70.096 68.868 0.123 0.000 1.309 238 T HN 0.120 nan 8.240 nan 0.000 0.572 239 S N 0.411 116.170 115.700 0.097 0.000 2.550 239 S HA 0.349 4.819 4.470 0.000 0.000 0.285 239 S C 0.012 174.676 174.600 0.107 0.000 1.326 239 S CA -0.088 58.189 58.200 0.128 0.000 1.037 239 S CB -0.921 62.393 63.200 0.190 0.000 0.838 239 S HN 1.292 nan 8.310 nan 0.000 0.519 240 L N -1.096 120.151 121.223 0.041 0.000 2.654 240 L HA 0.955 5.295 4.340 0.000 0.000 0.257 240 L C -0.711 176.104 176.870 -0.091 0.000 1.093 240 L CA -0.803 53.944 54.840 -0.155 0.000 0.903 240 L CB 1.545 43.556 42.059 -0.080 0.000 1.520 240 L HN 0.971 nan 8.230 nan 0.000 0.402 241 S N -0.665 114.953 115.700 -0.136 0.000 2.550 241 S HA 0.853 5.323 4.470 0.000 0.000 0.270 241 S C -1.366 173.240 174.600 0.009 0.000 1.145 241 S CA -0.625 57.570 58.200 -0.008 0.000 0.852 241 S CB 1.821 65.058 63.200 0.062 0.000 1.119 241 S HN 0.769 nan 8.310 nan 0.000 0.465 242 V N 1.772 121.722 119.914 0.059 0.000 2.409 242 V HA 0.839 4.959 4.120 0.000 0.000 0.291 242 V C 0.776 176.937 176.094 0.112 0.000 1.020 242 V CA 0.108 62.450 62.300 0.070 0.000 0.848 242 V CB 1.204 33.082 31.823 0.091 0.000 0.990 242 V HN 1.241 nan 8.190 nan 0.000 0.430 243 G N 1.905 110.750 108.800 0.074 0.000 2.600 243 G HA2 0.892 4.852 3.960 0.000 0.000 0.303 243 G HA3 0.892 4.852 3.960 0.000 0.000 0.303 243 G C -0.133 174.811 174.900 0.074 0.000 1.253 243 G CA -0.194 44.967 45.100 0.101 0.000 0.974 243 G HN 1.436 nan 8.290 nan 0.000 0.483 244 G N -0.971 107.900 108.800 0.118 0.000 2.331 244 G HA2 0.361 4.321 3.960 0.000 0.000 0.479 244 G HA3 0.361 4.321 3.960 0.000 0.000 0.479 244 G C -1.084 173.952 174.900 0.227 0.000 1.262 244 G CA 0.001 45.157 45.100 0.093 0.000 1.029 244 G HN 0.919 nan 8.290 nan 0.000 0.487 245 E N -1.224 119.087 120.200 0.185 0.000 2.363 245 E HA 0.594 4.944 4.350 0.000 0.000 0.281 245 E C -1.175 175.528 176.600 0.172 0.000 0.953 245 E CA -0.788 55.754 56.400 0.238 0.000 0.778 245 E CB 1.715 31.487 29.700 0.120 0.000 1.220 245 E HN 0.595 nan 8.360 nan 0.000 0.431 246 L N 3.044 124.401 121.223 0.223 0.000 2.329 246 L HA 0.606 4.946 4.340 0.000 0.000 0.279 246 L C -0.753 176.064 176.870 -0.088 0.000 1.014 246 L CA -1.183 53.659 54.840 0.003 0.000 0.814 246 L CB 1.876 43.930 42.059 -0.009 0.000 1.257 246 L HN 0.315 nan 8.230 nan 0.000 0.424 247 V N 2.724 122.504 119.914 -0.223 0.000 2.398 247 V HA 0.429 4.549 4.120 0.000 0.000 0.286 247 V C -0.564 175.347 176.094 -0.304 0.000 1.026 247 V CA -0.410 61.810 62.300 -0.134 0.000 0.868 247 V CB 1.417 33.209 31.823 -0.050 0.000 0.982 247 V HN 0.370 nan 8.190 nan 0.000 0.443 248 F N 4.400 124.340 119.950 -0.016 0.000 2.469 248 F HA 0.701 5.228 4.527 0.000 0.000 0.332 248 F C 0.558 176.382 175.800 0.040 0.000 1.103 248 F CA -0.699 57.295 58.000 -0.011 0.000 0.979 248 F CB 1.686 40.592 39.000 -0.156 0.000 1.137 248 F HN 0.291 nan 8.300 nan 0.000 0.463 249 R N 1.376 122.039 120.500 0.272 0.000 2.637 249 R HA 0.718 5.058 4.340 0.000 0.000 0.291 249 R C -0.700 175.747 176.300 0.246 0.000 0.963 249 R CA -0.735 55.483 56.100 0.196 0.000 0.901 249 R CB 2.002 32.383 30.300 0.135 0.000 1.160 249 R HN 0.684 nan 8.270 nan 0.000 0.457 250 T N -1.021 113.629 114.554 0.160 0.000 2.853 250 T HA 0.293 4.643 4.350 0.000 0.000 0.311 250 T C 0.047 174.779 174.700 0.053 0.000 1.307 250 T CA -0.416 61.773 62.100 0.148 0.000 1.019 250 T CB 1.486 70.460 68.868 0.178 0.000 1.264 250 T HN 0.454 nan 8.240 nan 0.000 0.497 251 S N 0.720 116.449 115.700 0.048 0.000 2.512 251 S HA 0.252 4.722 4.470 0.000 0.000 0.216 251 S C 0.294 174.891 174.600 -0.005 0.000 1.006 251 S CA -0.165 58.041 58.200 0.010 0.000 0.915 251 S CB 0.473 63.698 63.200 0.043 0.000 0.824 251 S HN 0.574 nan 8.310 nan 0.000 0.497 252 V N 4.195 124.125 119.914 0.028 0.000 2.432 252 V HA 0.230 4.350 4.120 0.000 0.000 0.275 252 V C 0.094 176.199 176.094 0.018 0.000 1.043 252 V CA -0.628 61.718 62.300 0.077 0.000 0.925 252 V CB 0.371 32.267 31.823 0.121 0.000 0.985 252 V HN 0.454 nan 8.190 nan 0.000 0.466 253 H N 3.276 122.377 119.070 0.052 0.000 2.582 253 H HA 0.308 4.864 4.556 0.000 0.000 0.345 253 H C 1.232 176.581 175.328 0.036 0.000 1.104 253 H CA 0.789 56.860 56.048 0.039 0.000 1.390 253 H CB 1.342 31.117 29.762 0.023 0.000 1.461 253 H HN 0.999 nan 8.280 nan 0.000 0.551 254 G N 3.263 112.137 108.800 0.124 0.000 2.225 254 G HA2 -0.239 3.721 3.960 0.000 0.000 0.264 254 G HA3 -0.239 3.721 3.960 0.000 0.000 0.264 254 G C 0.016 174.957 174.900 0.069 0.000 1.060 254 G CA -0.223 44.925 45.100 0.081 0.000 0.833 254 G HN 0.468 nan 8.290 nan 0.000 0.498 255 L N -0.187 121.073 121.223 0.063 0.000 2.326 255 L HA 0.584 4.924 4.340 0.000 0.000 0.278 255 L C 0.388 177.260 176.870 0.002 0.000 1.092 255 L CA -0.923 53.957 54.840 0.067 0.000 0.810 255 L CB 1.696 43.821 42.059 0.110 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 5.145 125.056 119.914 -0.006 0.000 2.376 256 V HA 0.367 4.487 4.120 0.000 0.000 0.287 256 V C 0.125 176.152 176.094 -0.113 0.000 1.015 256 V CA -0.422 61.843 62.300 -0.058 0.000 0.834 256 V CB 1.853 33.661 31.823 -0.026 0.000 1.001 256 V HN 0.527 nan 8.190 nan 0.000 0.428 257 L N 4.237 125.329 121.223 -0.218 0.000 2.307 257 L HA 0.767 5.107 4.340 0.000 0.000 0.282 257 L C 0.737 177.458 176.870 -0.249 0.000 1.051 257 L CA -0.138 54.506 54.840 -0.327 0.000 0.804 257 L CB 1.650 43.325 42.059 -0.641 0.000 1.197 257 L HN 0.745 nan 8.230 nan 0.000 0.431 258 G N 1.748 110.425 108.800 -0.205 0.000 2.495 258 G HA2 0.729 4.689 3.960 0.000 0.000 0.318 258 G HA3 0.729 4.689 3.960 0.000 0.000 0.318 258 G C -1.349 173.463 174.900 -0.146 0.000 1.257 258 G CA -0.365 44.643 45.100 -0.153 0.000 0.962 258 G HN 0.735 nan 8.290 nan 0.000 0.483 259 A N 1.142 123.881 122.820 -0.137 0.000 2.414 259 A HA 0.931 5.251 4.320 0.000 0.000 0.306 259 A C -0.391 177.145 177.584 -0.080 0.000 1.054 259 A CA -0.675 51.311 52.037 -0.085 0.000 0.724 259 A CB 1.941 20.881 19.000 -0.100 0.000 1.267 259 A HN 0.812 nan 8.150 nan 0.000 0.418 260 T N 2.115 116.642 114.554 -0.046 0.000 3.011 260 T HA 0.449 4.799 4.350 0.000 0.000 0.303 260 T C -0.694 173.896 174.700 -0.183 0.000 0.997 260 T CA -0.069 61.929 62.100 -0.171 0.000 1.007 260 T CB 0.819 69.528 68.868 -0.266 0.000 1.017 260 T HN 0.494 nan 8.240 nan 0.000 0.443 261 I N 3.335 123.791 120.570 -0.190 0.000 2.342 261 I HA 0.383 4.553 4.170 0.000 0.000 0.291 261 I C -0.928 175.020 176.117 -0.281 0.000 1.010 261 I CA -0.665 60.564 61.300 -0.118 0.000 1.308 261 I CB 0.751 38.764 38.000 0.022 0.000 1.400 261 I HN 0.607 nan 8.210 nan 0.000 0.488 262 Y N 6.528 126.795 120.300 -0.055 0.000 2.352 262 Y HA 0.532 5.082 4.550 0.000 0.000 0.339 262 Y C -0.354 175.515 175.900 -0.052 0.000 0.992 262 Y CA -0.704 57.366 58.100 -0.050 0.000 1.100 262 Y CB 1.288 39.712 38.460 -0.060 0.000 1.192 262 Y HN 0.288 nan 8.280 nan 0.000 0.458 263 L N 5.247 126.525 121.223 0.092 0.000 2.287 263 L HA 0.488 4.828 4.340 0.000 0.000 0.287 263 L C -0.860 176.038 176.870 0.046 0.000 1.022 263 L CA -0.594 54.273 54.840 0.045 0.000 0.814 263 L CB 0.894 42.962 42.059 0.015 0.000 1.217 263 L HN 0.477 nan 8.230 nan 0.000 0.420 264 I N 2.423 123.009 120.570 0.027 0.000 2.377 264 I HA 0.388 4.558 4.170 0.000 0.000 0.293 264 I C 0.921 177.047 176.117 0.015 0.000 0.987 264 I CA -0.216 61.093 61.300 0.015 0.000 1.185 264 I CB 1.418 39.413 38.000 -0.008 0.000 1.341 264 I HN 0.576 nan 8.210 nan 0.000 0.455 265 G N 3.523 112.333 108.800 0.017 0.000 2.651 265 G HA2 0.099 4.059 3.960 0.000 0.000 0.260 265 G HA3 0.099 4.059 3.960 0.000 0.000 0.260 265 G C 0.473 175.423 174.900 0.084 0.000 1.216 265 G CA -0.263 44.865 45.100 0.048 0.000 0.913 265 G HN 0.607 nan 8.290 nan 0.000 0.535 266 F N 0.635 120.570 119.950 -0.025 0.000 2.202 266 F HA -0.132 4.395 4.527 0.000 0.000 0.301 266 F C 2.224 177.933 175.800 -0.151 0.000 1.082 266 F CA 1.949 59.852 58.000 -0.161 0.000 1.313 266 F CB 0.156 38.916 39.000 -0.401 0.000 1.024 266 F HN 0.429 nan 8.300 nan 0.000 0.495 267 D N -0.769 119.590 120.400 -0.069 0.000 2.324 267 D HA 0.115 4.755 4.640 0.000 0.000 0.235 267 D C 1.784 178.047 176.300 -0.061 0.000 1.095 267 D CA 0.720 54.681 54.000 -0.066 0.000 0.871 267 D CB -0.749 40.188 40.800 0.228 0.000 0.906 267 D HN 0.435 nan 8.370 nan 0.000 0.522 268 G N -0.449 108.299 108.800 -0.085 0.000 2.162 268 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 268 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 268 G C 0.410 175.291 174.900 -0.031 0.000 0.976 268 G CA 0.541 45.600 45.100 -0.069 0.000 0.655 268 G HN 0.492 nan 8.290 nan 0.000 0.533 269 T N 1.791 116.348 114.554 0.005 0.000 2.869 269 T HA 0.483 4.833 4.350 0.000 0.000 0.295 269 T C 0.768 175.478 174.700 0.018 0.000 0.987 269 T CA 0.530 62.642 62.100 0.020 0.000 1.109 269 T CB 0.937 69.838 68.868 0.054 0.000 0.932 269 T HN 0.213 nan 8.240 nan 0.000 0.518 270 T N 3.891 118.462 114.554 0.027 0.000 2.761 270 T HA 0.086 4.436 4.350 0.000 0.000 0.287 270 T C 1.586 176.313 174.700 0.046 0.000 0.931 270 T CA -0.382 61.755 62.100 0.063 0.000 1.164 270 T CB 0.389 69.332 68.868 0.123 0.000 0.876 270 T HN 0.368 nan 8.240 nan 0.000 0.534 271 V N 4.352 124.283 119.914 0.027 0.000 2.331 271 V HA 0.183 4.303 4.120 0.000 0.000 0.242 271 V C 0.864 176.964 176.094 0.009 0.000 1.034 271 V CA 1.079 63.377 62.300 -0.003 0.000 1.027 271 V CB -0.094 31.708 31.823 -0.035 0.000 0.667 271 V HN 0.725 nan 8.190 nan 0.000 0.457 272 I N -0.389 120.192 120.570 0.017 0.000 2.545 272 I HA 0.441 4.611 4.170 0.000 0.000 0.292 272 I C -0.454 175.655 176.117 -0.013 0.000 1.040 272 I CA -0.115 61.185 61.300 0.001 0.000 1.068 272 I CB 2.333 40.327 38.000 -0.010 0.000 1.251 272 I HN 0.064 nan 8.210 nan 0.000 0.424 273 T N 5.697 120.214 114.554 -0.062 0.000 2.841 273 T HA 0.570 4.920 4.350 0.000 0.000 0.285 273 T C -0.904 173.680 174.700 -0.192 0.000 0.991 273 T CA -0.660 61.315 62.100 -0.209 0.000 0.966 273 T CB 0.723 69.472 68.868 -0.198 0.000 0.962 273 T HN 0.439 nan 8.240 nan 0.000 0.438 274 R N 3.057 123.415 120.500 -0.236 0.000 2.532 274 R HA 0.638 4.978 4.340 0.000 0.000 0.297 274 R C -0.428 175.768 176.300 -0.174 0.000 0.984 274 R CA -0.729 55.280 56.100 -0.152 0.000 0.884 274 R CB 1.795 32.046 30.300 -0.081 0.000 1.182 274 R HN 0.830 nan 8.270 nan 0.000 0.442 275 A N 2.522 125.258 122.820 -0.141 0.000 2.454 275 A HA 0.266 4.586 4.320 0.000 0.000 0.260 275 A C 0.969 178.480 177.584 -0.121 0.000 1.106 275 A CA -0.283 51.675 52.037 -0.131 0.000 0.780 275 A CB 0.448 19.384 19.000 -0.107 0.000 1.044 275 A HN 0.515 nan 8.150 nan 0.000 0.498 276 V N 1.774 121.601 119.914 -0.145 0.000 3.263 276 V HA 0.353 4.473 4.120 0.000 0.000 0.248 276 V C 1.090 177.016 176.094 -0.279 0.000 1.145 276 V CA 1.519 63.687 62.300 -0.221 0.000 1.107 276 V CB -0.234 31.395 31.823 -0.323 0.000 0.797 276 V HN 1.087 nan 8.190 nan 0.000 0.467 277 A N -0.292 122.389 122.820 -0.231 0.000 2.488 277 A HA 0.913 5.233 4.320 0.000 0.000 0.298 277 A C -0.830 176.657 177.584 -0.161 0.000 1.044 277 A CA 0.148 52.056 52.037 -0.214 0.000 0.693 277 A CB 1.743 20.585 19.000 -0.264 0.000 1.272 277 A HN 0.558 nan 8.150 nan 0.000 0.402 278 A N 1.538 124.277 122.820 -0.135 0.000 2.549 278 A HA 0.715 5.035 4.320 0.000 0.000 0.297 278 A C 0.171 177.696 177.584 -0.097 0.000 1.061 278 A CA -0.250 51.723 52.037 -0.107 0.000 0.690 278 A CB 0.728 19.679 19.000 -0.082 0.000 1.287 278 A HN 1.852 nan 8.150 nan 0.000 0.402 279 N N 0.117 118.766 118.700 -0.084 0.000 2.696 279 N HA -0.188 4.552 4.740 0.000 0.000 0.249 279 N C -0.209 175.249 175.510 -0.086 0.000 1.090 279 N CA 1.218 54.225 53.050 -0.071 0.000 0.716 279 N CB -0.946 37.511 38.487 -0.050 0.000 1.020 279 N HN 0.705 nan 8.380 nan 0.000 0.548 280 N N 0.494 119.119 118.700 -0.124 0.000 2.549 280 N HA 0.210 4.950 4.740 0.000 0.000 0.267 280 N C 0.209 175.635 175.510 -0.141 0.000 1.182 280 N CA 0.576 53.540 53.050 -0.143 0.000 1.019 280 N CB -0.344 38.022 38.487 -0.203 0.000 1.380 280 N HN 0.358 nan 8.380 nan 0.000 0.505 281 G N 3.048 111.794 108.800 -0.090 0.000 2.343 281 G HA2 0.249 4.209 3.960 0.000 0.000 0.254 281 G HA3 0.249 4.209 3.960 0.000 0.000 0.254 281 G C 0.241 175.098 174.900 -0.072 0.000 1.277 281 G CA -0.406 44.654 45.100 -0.067 0.000 0.909 281 G HN 0.587 nan 8.290 nan 0.000 0.502 282 L N 2.479 123.657 121.223 -0.074 0.000 2.319 282 L HA 0.246 4.586 4.340 0.000 0.000 0.280 282 L C 0.591 177.443 176.870 -0.031 0.000 1.099 282 L CA -0.427 54.379 54.840 -0.057 0.000 0.828 282 L CB 0.931 42.956 42.059 -0.055 0.000 1.150 282 L HN 0.381 nan 8.230 nan 0.000 0.442 283 T N 1.007 115.548 114.554 -0.022 0.000 2.845 283 T HA 0.129 4.479 4.350 0.000 0.000 0.288 283 T C 0.341 175.014 174.700 -0.045 0.000 0.980 283 T CA -0.353 61.732 62.100 -0.025 0.000 1.071 283 T CB 1.435 70.299 68.868 -0.006 0.000 0.941 283 T HN 0.528 nan 8.240 nan 0.000 0.487 284 T N 2.068 116.555 114.554 -0.112 0.000 2.919 284 T HA 0.427 4.777 4.350 0.000 0.000 0.302 284 T C 1.311 175.976 174.700 -0.060 0.000 1.031 284 T CA 0.937 62.941 62.100 -0.161 0.000 1.127 284 T CB -0.083 68.509 68.868 -0.460 0.000 0.952 284 T HN 1.039 nan 8.240 nan 0.000 0.540 285 G N 3.172 111.956 108.800 -0.027 0.000 2.323 285 G HA2 -0.183 3.777 3.960 0.000 0.000 0.292 285 G HA3 -0.183 3.777 3.960 0.000 0.000 0.292 285 G C 0.139 175.050 174.900 0.018 0.000 1.040 285 G CA 0.424 45.528 45.100 0.007 0.000 0.942 285 G HN 1.005 nan 8.290 nan 0.000 0.506 286 T N -0.517 114.052 114.554 0.025 0.000 2.886 286 T HA 0.342 4.692 4.350 0.000 0.000 0.330 286 T C -1.033 173.693 174.700 0.043 0.000 1.488 286 T CA -0.879 61.238 62.100 0.029 0.000 1.054 286 T CB 1.587 70.467 68.868 0.020 0.000 1.348 286 T HN 0.096 nan 8.240 nan 0.000 0.489 287 D N 2.473 122.897 120.400 0.040 0.000 2.434 287 D HA 0.144 4.784 4.640 0.000 0.000 0.252 287 D C -0.221 176.112 176.300 0.055 0.000 1.185 287 D CA 0.499 54.528 54.000 0.048 0.000 0.886 287 D CB 0.307 41.127 40.800 0.035 0.000 1.148 287 D HN 0.366 nan 8.370 nan 0.000 0.483 288 N N 2.102 120.854 118.700 0.087 0.000 2.476 288 N HA 0.281 5.022 4.740 0.000 0.000 0.257 288 N C -0.509 175.076 175.510 0.126 0.000 0.970 288 N CA -0.503 52.599 53.050 0.088 0.000 0.938 288 N CB 1.402 39.939 38.487 0.082 0.000 1.144 288 N HN 0.167 nan 8.380 nan 0.000 0.500 289 L N 1.865 123.132 121.223 0.074 0.000 2.349 289 L HA 0.419 4.759 4.340 0.000 0.000 0.275 289 L C 0.150 177.061 176.870 0.070 0.000 1.115 289 L CA -0.044 54.841 54.840 0.074 0.000 0.820 289 L CB 0.846 42.929 42.059 0.040 0.000 1.135 289 L HN 0.485 nan 8.230 nan 0.000 0.445 290 M N 5.497 125.159 119.600 0.104 0.000 1.998 290 M HA 0.375 4.855 4.480 0.000 0.000 0.289 290 M C -2.604 173.682 176.300 -0.025 0.000 0.886 290 M CA -1.618 53.695 55.300 0.023 0.000 0.853 290 M CB 1.491 34.176 32.600 0.142 0.000 1.462 290 M HN 0.193 nan 8.290 nan 0.000 0.375 291 P HA 0.260 nan 4.420 nan 0.000 0.275 291 P C -1.314 175.901 177.300 -0.142 0.000 1.228 291 P CA 0.070 63.172 63.100 0.002 0.000 0.786 291 P CB 0.420 32.119 31.700 -0.002 0.000 0.927 292 F N 2.097 122.062 119.950 0.025 0.000 2.388 292 F HA 0.356 4.883 4.527 0.000 0.000 0.358 292 F C 0.957 176.770 175.800 0.021 0.000 1.122 292 F CA -0.045 57.969 58.000 0.025 0.000 1.056 292 F CB 0.880 39.903 39.000 0.038 0.000 1.155 292 F HN 0.159 nan 8.300 nan 0.000 0.461 293 N N 5.183 123.952 118.700 0.115 0.000 2.642 293 N HA 0.223 4.963 4.740 0.000 0.000 0.308 293 N C -0.975 174.578 175.510 0.072 0.000 1.914 293 N CA -0.062 53.036 53.050 0.080 0.000 0.893 293 N CB 1.031 39.537 38.487 0.032 0.000 1.322 293 N HN 0.433 nan 8.380 nan 0.000 0.490 294 L N 0.967 122.255 121.223 0.108 0.000 2.312 294 L HA 0.514 4.854 4.340 0.000 0.000 0.281 294 L C -0.033 176.882 176.870 0.075 0.000 1.070 294 L CA -0.652 54.238 54.840 0.083 0.000 0.805 294 L CB 1.697 43.818 42.059 0.104 0.000 1.174 294 L HN -0.189 nan 8.230 nan 0.000 0.434 295 V N 4.757 124.707 119.914 0.060 0.000 2.483 295 V HA 0.379 4.499 4.120 0.000 0.000 0.297 295 V C -0.340 175.786 176.094 0.054 0.000 1.027 295 V CA -0.405 61.938 62.300 0.072 0.000 0.855 295 V CB 2.170 34.038 31.823 0.075 0.000 0.995 295 V HN 0.451 nan 8.190 nan 0.000 0.424 296 I N 8.604 129.207 120.570 0.056 0.000 2.330 296 I HA 0.450 4.620 4.170 0.000 0.000 0.289 296 I C -2.142 174.007 176.117 0.054 0.000 1.001 296 I CA -1.920 59.404 61.300 0.040 0.000 1.193 296 I CB 2.074 40.089 38.000 0.026 0.000 1.345 296 I HN 0.432 nan 8.210 nan 0.000 0.461 297 P HA 0.149 nan 4.420 nan 0.000 0.277 297 P C 0.671 177.995 177.300 0.039 0.000 1.240 297 P CA -0.250 62.877 63.100 0.045 0.000 0.798 297 P CB 0.782 32.500 31.700 0.030 0.000 0.979 298 T N 1.109 115.690 114.554 0.046 0.000 2.653 298 T HA -0.235 4.115 4.350 0.000 0.000 0.267 298 T C 1.615 176.328 174.700 0.023 0.000 1.037 298 T CA 2.250 64.372 62.100 0.038 0.000 1.159 298 T CB -0.941 67.953 68.868 0.045 0.000 0.859 298 T HN 0.658 nan 8.240 nan 0.000 0.449 299 N N 1.194 119.907 118.700 0.022 0.000 2.381 299 N HA -0.150 4.590 4.740 0.000 0.000 0.182 299 N C 1.415 176.933 175.510 0.013 0.000 1.025 299 N CA 1.107 54.168 53.050 0.018 0.000 0.888 299 N CB -0.199 38.298 38.487 0.018 0.000 0.965 299 N HN 0.516 nan 8.380 nan 0.000 0.438 300 E N 0.201 120.408 120.200 0.011 0.000 2.371 300 E HA 0.165 4.515 4.350 0.000 0.000 0.194 300 E C 0.114 176.710 176.600 -0.005 0.000 1.012 300 E CA 0.035 56.438 56.400 0.005 0.000 0.860 300 E CB 0.251 29.954 29.700 0.005 0.000 0.811 300 E HN 0.423 nan 8.360 nan 0.000 0.502 301 I N 2.217 122.782 120.570 -0.009 0.000 2.329 301 I HA -0.031 4.139 4.170 0.000 0.000 0.295 301 I C 1.304 177.391 176.117 -0.050 0.000 1.109 301 I CA 0.025 61.307 61.300 -0.030 0.000 1.297 301 I CB 0.945 38.931 38.000 -0.024 0.000 1.433 301 I HN 0.031 nan 8.210 nan 0.000 0.509 302 T N 1.756 116.262 114.554 -0.080 0.000 3.081 302 T HA 0.090 4.440 4.350 0.000 0.000 0.255 302 T C 0.450 174.981 174.700 -0.283 0.000 1.113 302 T CA 0.068 62.113 62.100 -0.093 0.000 1.082 302 T CB -0.044 68.799 68.868 -0.041 0.000 0.939 302 T HN 0.685 nan 8.240 nan 0.000 0.506 303 Q N -0.501 119.071 119.800 -0.380 0.000 2.522 303 Q HA 0.537 4.877 4.340 0.000 0.000 0.285 303 Q C -3.469 172.411 176.000 -0.199 0.000 0.982 303 Q CA -2.656 52.814 55.803 -0.556 0.000 0.805 303 Q CB 0.715 28.642 28.738 -1.350 0.000 1.457 303 Q HN -0.139 nan 8.270 nan 0.000 0.394 304 P HA -0.042 nan 4.420 nan 0.000 0.261 304 P C -0.612 176.716 177.300 0.047 0.000 1.173 304 P CA 0.256 63.385 63.100 0.048 0.000 0.760 304 P CB 0.258 32.086 31.700 0.213 0.000 0.783 305 I N 3.360 123.946 120.570 0.027 0.000 2.379 305 I HA 0.034 4.204 4.170 0.000 0.000 0.290 305 I C 1.625 177.773 176.117 0.050 0.000 1.063 305 I CA 0.707 62.023 61.300 0.027 0.000 1.351 305 I CB 0.111 38.115 38.000 0.007 0.000 1.410 305 I HN 0.341 nan 8.210 nan 0.000 0.505 306 T N 3.838 118.429 114.554 0.062 0.000 3.014 306 T HA 0.114 4.464 4.350 0.000 0.000 0.250 306 T C 0.571 175.281 174.700 0.017 0.000 1.060 306 T CA 0.484 62.630 62.100 0.077 0.000 1.040 306 T CB 0.171 69.128 68.868 0.149 0.000 0.971 306 T HN 0.813 nan 8.240 nan 0.000 0.497 307 S N -0.189 115.505 115.700 -0.010 0.000 2.587 307 S HA 0.626 5.096 4.470 0.000 0.000 0.269 307 S C -1.583 172.998 174.600 -0.031 0.000 1.154 307 S CA -1.002 57.177 58.200 -0.036 0.000 0.824 307 S CB 1.419 64.603 63.200 -0.027 0.000 1.118 307 S HN 0.242 nan 8.310 nan 0.000 0.462 308 I N 1.347 121.899 120.570 -0.030 0.000 2.545 308 I HA 0.707 4.877 4.170 0.000 0.000 0.292 308 I C -1.407 174.674 176.117 -0.061 0.000 1.040 308 I CA -0.703 60.588 61.300 -0.015 0.000 1.068 308 I CB 1.747 39.753 38.000 0.009 0.000 1.251 308 I HN 1.006 nan 8.210 nan 0.000 0.424 309 K N 6.474 126.804 120.400 -0.117 0.000 2.435 309 K HA 0.667 4.987 4.320 0.000 0.000 0.251 309 K C -1.877 174.547 176.600 -0.294 0.000 0.954 309 K CA -0.960 55.139 56.287 -0.313 0.000 0.820 309 K CB 2.523 34.908 32.500 -0.193 0.000 1.292 309 K HN 0.455 nan 8.250 nan 0.000 0.436 310 L N 1.034 121.902 121.223 -0.591 0.000 2.349 310 L HA 0.427 4.767 4.340 0.000 0.000 0.278 310 L C -1.123 175.690 176.870 -0.094 0.000 0.996 310 L CA -0.006 54.670 54.840 -0.274 0.000 0.825 310 L CB 1.700 43.560 42.059 -0.332 0.000 1.243 310 L HN 0.757 nan 8.230 nan 0.000 0.412 311 E N 5.001 125.261 120.200 0.100 0.000 2.242 311 E HA 0.526 4.876 4.350 0.000 0.000 0.275 311 E C -1.051 175.611 176.600 0.104 0.000 1.002 311 E CA -0.563 55.912 56.400 0.125 0.000 0.841 311 E CB 2.145 31.986 29.700 0.235 0.000 1.109 311 E HN 0.559 nan 8.360 nan 0.000 0.394 312 I N 2.193 122.824 120.570 0.102 0.000 2.433 312 I HA 0.262 4.432 4.170 0.000 0.000 0.292 312 I C -0.762 175.377 176.117 0.036 0.000 1.001 312 I CA -0.946 60.380 61.300 0.044 0.000 1.119 312 I CB 1.818 39.849 38.000 0.052 0.000 1.289 312 I HN 0.158 nan 8.210 nan 0.000 0.438 313 V N 4.423 124.327 119.914 -0.016 0.000 2.435 313 V HA 0.456 4.576 4.120 0.000 0.000 0.290 313 V C -0.117 175.960 176.094 -0.027 0.000 1.030 313 V CA -0.416 61.885 62.300 0.002 0.000 0.881 313 V CB 1.662 33.489 31.823 0.006 0.000 0.983 313 V HN 0.738 nan 8.190 nan 0.000 0.445 314 T N 3.521 118.094 114.554 0.032 0.000 2.864 314 T HA 0.520 4.870 4.350 0.000 0.000 0.310 314 T C -0.054 174.717 174.700 0.118 0.000 1.040 314 T CA -0.490 61.655 62.100 0.074 0.000 0.977 314 T CB 1.057 70.028 68.868 0.171 0.000 0.976 314 T HN 0.849 nan 8.240 nan 0.000 0.459 315 S N 2.791 118.546 115.700 0.091 0.000 2.648 315 S HA 0.811 5.281 4.470 0.000 0.000 0.305 315 S C -0.852 173.845 174.600 0.161 0.000 1.094 315 S CA -1.065 57.212 58.200 0.127 0.000 0.983 315 S CB 2.454 65.704 63.200 0.083 0.000 1.101 315 S HN 0.585 nan 8.310 nan 0.000 0.514 316 K N 0.305 120.849 120.400 0.239 0.000 2.422 316 K HA 0.532 4.852 4.320 0.000 0.000 0.251 316 K C 0.567 177.241 176.600 0.122 0.000 0.933 316 K CA -0.626 55.768 56.287 0.179 0.000 0.798 316 K CB 1.939 34.552 32.500 0.189 0.000 1.238 316 K HN 0.682 nan 8.250 nan 0.000 0.428 317 S N 1.300 117.033 115.700 0.054 0.000 2.563 317 S HA -0.165 4.305 4.470 0.000 0.000 0.225 317 S C 1.240 175.824 174.600 -0.027 0.000 1.146 317 S CA 1.330 59.543 58.200 0.021 0.000 1.500 317 S CB -0.493 62.714 63.200 0.012 0.000 1.099 317 S HN 0.826 nan 8.310 nan 0.000 0.393 318 G N 1.587 110.345 108.800 -0.069 0.000 3.741 318 G HA2 0.496 4.456 3.960 0.000 0.000 0.263 318 G HA3 0.496 4.456 3.960 0.000 0.000 0.263 318 G C 0.198 174.942 174.900 -0.259 0.000 1.175 318 G CA -0.156 44.871 45.100 -0.121 0.000 1.642 318 G HN 0.582 nan 8.290 nan 0.000 0.644 319 G N -0.509 107.990 108.800 -0.503 0.000 2.483 319 G HA2 0.447 4.407 3.960 0.000 0.000 0.248 319 G HA3 0.447 4.407 3.960 0.000 0.000 0.248 319 G C 0.441 174.613 174.900 -1.213 0.000 1.248 319 G CA -0.219 44.229 45.100 -1.086 0.000 0.838 319 G HN 0.418 nan 8.290 nan 0.000 0.566 320 Q N 0.460 119.824 119.800 -0.727 0.000 2.521 320 Q HA 0.307 4.647 4.340 0.000 0.000 0.215 320 Q C 1.128 177.174 176.000 0.077 0.000 0.750 320 Q CA 0.500 56.185 55.803 -0.196 0.000 0.945 320 Q CB 0.820 29.491 28.738 -0.112 0.000 1.320 320 Q HN 0.607 nan 8.270 nan 0.000 0.501 321 A N 0.774 123.628 122.820 0.057 0.000 2.841 321 A HA 0.582 4.902 4.320 0.000 0.000 0.188 321 A C 0.950 178.598 177.584 0.107 0.000 1.149 321 A CA 0.425 52.521 52.037 0.098 0.000 1.384 321 A CB -0.739 18.287 19.000 0.043 0.000 1.874 321 A HN 0.176 nan 8.150 nan 0.000 0.643 322 G N 1.169 110.003 108.800 0.056 0.000 3.318 322 G HA2 0.320 4.280 3.960 0.000 0.000 0.230 322 G HA3 0.320 4.280 3.960 0.000 0.000 0.230 322 G C -0.827 174.100 174.900 0.044 0.000 1.317 322 G CA 0.169 45.296 45.100 0.045 0.000 1.197 322 G HN 0.355 nan 8.290 nan 0.000 0.514 323 D N 0.425 120.863 120.400 0.063 0.000 2.371 323 D HA 0.256 4.896 4.640 0.000 0.000 0.256 323 D C 0.520 176.873 176.300 0.089 0.000 1.193 323 D CA 0.266 54.295 54.000 0.049 0.000 0.881 323 D CB 1.096 41.887 40.800 -0.015 0.000 1.143 323 D HN 0.140 nan 8.370 nan 0.000 0.473 324 Q N 1.858 121.691 119.800 0.055 0.000 2.299 324 Q HA 0.463 4.803 4.340 0.000 0.000 0.246 324 Q C -0.670 175.376 176.000 0.077 0.000 0.935 324 Q CA -0.114 55.713 55.803 0.041 0.000 0.887 324 Q CB 0.960 29.701 28.738 0.004 0.000 1.223 324 Q HN 0.410 nan 8.270 nan 0.000 0.439 325 M N 2.210 121.856 119.600 0.076 0.000 2.190 325 M HA 0.464 4.944 4.480 0.000 0.000 0.312 325 M C -1.230 175.130 176.300 0.100 0.000 0.990 325 M CA -0.680 54.719 55.300 0.165 0.000 0.927 325 M CB 1.964 34.743 32.600 0.299 0.000 1.571 325 M HN 0.688 nan 8.290 nan 0.000 0.427 326 S N 2.969 118.757 115.700 0.146 0.000 2.668 326 S HA 0.758 5.228 4.470 0.000 0.000 0.277 326 S C -1.538 173.199 174.600 0.228 0.000 1.170 326 S CA -0.873 57.364 58.200 0.062 0.000 0.994 326 S CB 1.220 64.399 63.200 -0.035 0.000 1.051 326 S HN 0.873 nan 8.310 nan 0.000 0.484 327 W N 1.077 122.590 121.300 0.356 0.000 2.950 327 W HA 0.756 5.416 4.660 0.000 0.000 0.340 327 W C -0.797 175.865 176.519 0.238 0.000 1.139 327 W CA -0.964 56.542 57.345 0.269 0.000 1.188 327 W CB 1.420 31.054 29.460 0.290 0.000 1.426 327 W HN 0.730 nan 8.180 nan 0.000 0.531 328 S N 1.621 117.647 115.700 0.543 0.000 2.462 328 S HA 0.781 5.251 4.470 0.000 0.000 0.294 328 S C -0.699 174.136 174.600 0.392 0.000 1.144 328 S CA -0.247 58.175 58.200 0.371 0.000 1.088 328 S CB 0.997 64.305 63.200 0.180 0.000 1.009 328 S HN 0.859 nan 8.310 nan 0.000 0.484 329 A N 4.239 127.252 122.820 0.321 0.000 2.401 329 A HA 0.923 5.243 4.320 0.000 0.000 0.310 329 A C -0.462 177.106 177.584 -0.027 0.000 1.075 329 A CA -0.862 51.145 52.037 -0.051 0.000 0.746 329 A CB 1.491 20.409 19.000 -0.136 0.000 1.277 329 A HN 0.799 nan 8.150 nan 0.000 0.425 330 R N 0.555 120.959 120.500 -0.160 0.000 2.561 330 R HA 0.614 4.954 4.340 0.000 0.000 0.266 330 R C -0.755 175.485 176.300 -0.101 0.000 1.091 330 R CA 0.402 56.459 56.100 -0.072 0.000 0.927 330 R CB 1.914 32.194 30.300 -0.033 0.000 1.240 330 R HN 2.131 nan 8.270 nan 0.000 0.449 331 G N 0.876 109.636 108.800 -0.068 0.000 2.350 331 G HA2 0.110 4.070 3.960 0.000 0.000 0.305 331 G HA3 0.110 4.070 3.960 0.000 0.000 0.305 331 G C -1.724 173.127 174.900 -0.081 0.000 1.479 331 G CA -0.691 44.372 45.100 -0.061 0.000 0.949 331 G HN 0.425 nan 8.290 nan 0.000 0.651 332 S N -0.276 115.377 115.700 -0.078 0.000 2.503 332 S HA 0.798 5.268 4.470 0.000 0.000 0.301 332 S C 0.151 174.672 174.600 -0.131 0.000 1.087 332 S CA -0.683 57.447 58.200 -0.117 0.000 1.042 332 S CB 1.276 64.423 63.200 -0.088 0.000 1.043 332 S HN 0.605 nan 8.310 nan 0.000 0.489 333 L N 1.772 122.871 121.223 -0.207 0.000 2.334 333 L HA 0.874 5.214 4.340 0.000 0.000 0.270 333 L C -0.043 176.748 176.870 -0.131 0.000 1.018 333 L CA -0.976 53.734 54.840 -0.218 0.000 0.811 333 L CB 1.376 43.220 42.059 -0.359 0.000 1.271 333 L HN 0.693 nan 8.230 nan 0.000 0.443 334 A N 1.608 124.382 122.820 -0.076 0.000 2.343 334 A HA 0.687 5.007 4.320 0.000 0.000 0.308 334 A C -0.956 176.631 177.584 0.004 0.000 1.092 334 A CA -0.436 51.587 52.037 -0.023 0.000 0.751 334 A CB 1.581 20.576 19.000 -0.009 0.000 1.203 334 A HN 0.363 nan 8.150 nan 0.000 0.452 335 V N 3.008 122.954 119.914 0.053 0.000 2.311 335 V HA 0.374 4.494 4.120 0.000 0.000 0.275 335 V C 0.021 176.170 176.094 0.091 0.000 1.022 335 V CA -0.231 62.116 62.300 0.079 0.000 0.830 335 V CB 1.214 33.103 31.823 0.109 0.000 1.012 335 V HN 0.879 nan 8.190 nan 0.000 0.452 336 T N 6.899 121.450 114.554 -0.006 0.000 2.738 336 T HA 0.433 4.783 4.350 0.000 0.000 0.298 336 T C 0.003 174.582 174.700 -0.200 0.000 0.962 336 T CA -0.132 61.921 62.100 -0.078 0.000 0.972 336 T CB 0.670 69.484 68.868 -0.090 0.000 0.928 336 T HN 0.582 nan 8.240 nan 0.000 0.474 337 I N 2.630 123.143 120.570 -0.095 0.000 2.304 337 I HA 0.350 4.520 4.170 0.000 0.000 0.291 337 I C -0.310 175.753 176.117 -0.090 0.000 1.018 337 I CA -0.695 60.535 61.300 -0.117 0.000 1.260 337 I CB 0.493 38.520 38.000 0.044 0.000 1.390 337 I HN 0.545 nan 8.210 nan 0.000 0.475 338 H N 5.751 124.850 119.070 0.047 0.000 2.886 338 H HA 0.195 4.751 4.556 0.000 0.000 0.329 338 H C 1.468 176.810 175.328 0.024 0.000 1.044 338 H CA 0.944 57.011 56.048 0.030 0.000 1.456 338 H CB 0.828 30.604 29.762 0.022 0.000 1.464 338 H HN 0.993 nan 8.280 nan 0.000 0.573 339 G N 2.520 111.408 108.800 0.146 0.000 2.196 339 G HA2 -0.358 3.602 3.960 0.000 0.000 0.268 339 G HA3 -0.358 3.602 3.960 0.000 0.000 0.268 339 G C 1.604 176.561 174.900 0.096 0.000 0.975 339 G CA 0.873 46.023 45.100 0.082 0.000 0.648 339 G HN 0.873 nan 8.290 nan 0.000 0.538 340 G N 0.327 109.177 108.800 0.082 0.000 2.442 340 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 340 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 340 G C 1.324 176.263 174.900 0.065 0.000 1.141 340 G CA 1.439 46.582 45.100 0.071 0.000 0.763 340 G HN 0.531 nan 8.290 nan 0.000 0.554 341 N N -0.902 117.829 118.700 0.052 0.000 2.336 341 N HA 0.062 4.802 4.740 0.000 0.000 0.189 341 N C -0.255 175.285 175.510 0.050 0.000 1.113 341 N CA -0.463 52.602 53.050 0.025 0.000 0.858 341 N CB -0.111 38.367 38.487 -0.014 0.000 0.970 341 N HN 0.433 nan 8.380 nan 0.000 0.471 342 Y N 2.715 123.000 120.300 -0.025 0.000 2.605 342 Y HA 0.147 4.697 4.550 0.000 0.000 0.336 342 Y C -2.118 173.758 175.900 -0.039 0.000 1.111 342 Y CA -2.034 56.046 58.100 -0.034 0.000 1.422 342 Y CB 0.507 38.939 38.460 -0.047 0.000 1.193 342 Y HN 0.002 nan 8.280 nan 0.000 0.526 343 P HA 0.088 nan 4.420 nan 0.000 0.260 343 P C 0.519 177.739 177.300 -0.134 0.000 1.185 343 P CA 1.906 64.856 63.100 -0.250 0.000 0.763 343 P CB 0.498 32.001 31.700 -0.328 0.000 0.776 344 G N 3.272 112.087 108.800 0.025 0.000 2.284 344 G HA2 -0.292 3.668 3.960 0.000 0.000 0.216 344 G HA3 -0.292 3.668 3.960 0.000 0.000 0.216 344 G C 1.201 176.219 174.900 0.197 0.000 1.009 344 G CA 0.319 45.495 45.100 0.127 0.000 0.625 344 G HN 0.608 nan 8.290 nan 0.000 0.501 345 A N -0.220 122.700 122.820 0.167 0.000 1.969 345 A HA 0.541 4.861 4.320 0.000 0.000 0.218 345 A C 2.178 179.887 177.584 0.209 0.000 1.169 345 A CA 2.043 54.143 52.037 0.105 0.000 0.635 345 A CB -0.194 18.848 19.000 0.070 0.000 0.810 345 A HN 0.985 nan 8.150 nan 0.000 0.445 346 L N -3.839 117.490 121.223 0.176 0.000 3.316 346 L HA 0.199 4.539 4.340 0.000 0.000 0.300 346 L C 2.041 179.041 176.870 0.216 0.000 1.128 346 L CA 0.195 55.137 54.840 0.169 0.000 1.111 346 L CB 0.043 42.183 42.059 0.134 0.000 1.687 346 L HN 0.284 nan 8.230 nan 0.000 0.594 347 R N 1.791 122.386 120.500 0.157 0.000 2.072 347 R HA 0.063 4.403 4.340 0.000 0.000 0.221 347 R C -1.764 174.596 176.300 0.101 0.000 1.166 347 R CA 0.800 56.955 56.100 0.092 0.000 0.917 347 R CB -0.944 29.366 30.300 0.017 0.000 0.815 347 R HN 0.028 nan 8.270 nan 0.000 0.444 348 P HA 0.127 nan 4.420 nan 0.000 0.275 348 P C -1.315 176.092 177.300 0.178 0.000 1.227 348 P CA 0.133 63.277 63.100 0.073 0.000 0.781 348 P CB 1.524 33.246 31.700 0.038 0.000 0.906 349 V N 3.306 123.329 119.914 0.180 0.000 2.588 349 V HA 0.395 4.515 4.120 0.000 0.000 0.304 349 V C 0.064 176.229 176.094 0.119 0.000 1.042 349 V CA -0.286 62.114 62.300 0.167 0.000 0.877 349 V CB 2.258 34.199 31.823 0.196 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.023 120.621 114.554 0.073 0.000 2.770 350 T HA 0.636 4.986 4.350 0.000 0.000 0.283 350 T C -0.637 174.094 174.700 0.051 0.000 0.988 350 T CA -0.281 61.873 62.100 0.090 0.000 0.957 350 T CB 0.935 69.880 68.868 0.129 0.000 0.930 350 T HN 0.235 nan 8.240 nan 0.000 0.443 351 L N 4.069 125.295 121.223 0.005 0.000 2.282 351 L HA 0.564 4.904 4.340 0.000 0.000 0.288 351 L C -0.373 176.503 176.870 0.010 0.000 1.033 351 L CA -0.446 54.358 54.840 -0.060 0.000 0.807 351 L CB 1.721 43.709 42.059 -0.119 0.000 1.209 351 L HN 0.384 nan 8.230 nan 0.000 0.423 352 V N 3.405 123.336 119.914 0.029 0.000 2.326 352 V HA 0.748 4.868 4.120 0.000 0.000 0.281 352 V C 0.082 176.255 176.094 0.132 0.000 1.015 352 V CA -0.668 61.698 62.300 0.111 0.000 0.823 352 V CB 1.272 33.226 31.823 0.217 0.000 1.009 352 V HN 0.826 nan 8.190 nan 0.000 0.436 353 A N 5.584 128.477 122.820 0.122 0.000 2.317 353 A HA 0.909 5.229 4.320 0.000 0.000 0.327 353 A C -0.889 176.927 177.584 0.387 0.000 1.178 353 A CA -0.479 51.664 52.037 0.176 0.000 0.817 353 A CB 0.817 19.895 19.000 0.130 0.000 1.189 353 A HN 0.974 nan 8.150 nan 0.000 0.489 354 Y N 0.035 120.532 120.300 0.328 0.000 2.524 354 Y HA 0.793 5.343 4.550 0.000 0.000 0.344 354 Y C -0.294 175.674 175.900 0.113 0.000 1.012 354 Y CA -0.953 57.309 58.100 0.269 0.000 1.068 354 Y CB 1.347 39.904 38.460 0.162 0.000 1.249 354 Y HN 0.848 nan 8.280 nan 0.000 0.468 355 E N 0.847 121.061 120.200 0.024 0.000 2.430 355 E HA 0.567 4.917 4.350 0.000 0.000 0.279 355 E C -0.546 176.008 176.600 -0.076 0.000 1.003 355 E CA -1.287 55.009 56.400 -0.172 0.000 0.801 355 E CB 1.525 30.890 29.700 -0.559 0.000 1.313 355 E HN 0.581 nan 8.360 nan 0.000 0.459 356 R N -0.906 119.561 120.500 -0.055 0.000 3.989 356 R HA -0.103 4.237 4.340 0.000 0.000 0.377 356 R C -0.419 175.898 176.300 0.027 0.000 1.158 356 R CA 0.859 56.943 56.100 -0.027 0.000 1.035 356 R CB -2.829 27.436 30.300 -0.058 0.000 1.557 356 R HN 0.487 nan 8.270 nan 0.000 0.551 357 V N 1.418 121.383 119.914 0.086 0.000 2.614 357 V HA 0.428 4.548 4.120 0.000 0.000 0.291 357 V C 1.467 177.598 176.094 0.062 0.000 1.049 357 V CA -0.024 62.325 62.300 0.082 0.000 1.038 357 V CB 1.513 33.401 31.823 0.109 0.000 0.980 357 V HN 0.366 nan 8.190 nan 0.000 0.481 358 A N 3.861 126.703 122.820 0.038 0.000 2.511 358 A HA 0.324 4.644 4.320 0.000 0.000 0.242 358 A C 0.766 178.372 177.584 0.037 0.000 1.069 358 A CA -0.009 52.046 52.037 0.030 0.000 0.763 358 A CB -0.304 18.709 19.000 0.022 0.000 1.001 358 A HN 0.869 nan 8.150 nan 0.000 0.498 359 T N 1.853 116.429 114.554 0.036 0.000 2.908 359 T HA 0.402 4.752 4.350 0.000 0.000 0.301 359 T C 1.543 176.261 174.700 0.030 0.000 1.019 359 T CA 1.598 63.721 62.100 0.039 0.000 1.152 359 T CB 0.418 69.304 68.868 0.030 0.000 0.966 359 T HN 2.025 nan 8.240 nan 0.000 0.540 360 G N 2.712 111.532 108.800 0.033 0.000 2.195 360 G HA2 -0.277 3.683 3.960 0.000 0.000 0.246 360 G HA3 -0.277 3.683 3.960 0.000 0.000 0.246 360 G C 0.383 175.292 174.900 0.014 0.000 0.984 360 G CA 0.113 45.227 45.100 0.023 0.000 0.633 360 G HN 1.136 nan 8.290 nan 0.000 0.525 361 S N -0.690 115.016 115.700 0.009 0.000 2.632 361 S HA 0.712 5.182 4.470 0.000 0.000 0.267 361 S C 0.156 174.739 174.600 -0.029 0.000 1.276 361 S CA -0.249 57.947 58.200 -0.007 0.000 0.998 361 S CB 2.465 65.660 63.200 -0.008 0.000 0.953 361 S HN 0.989 nan 8.310 nan 0.000 0.547 362 V N 1.946 121.836 119.914 -0.040 0.000 2.370 362 V HA 0.341 4.461 4.120 0.000 0.000 0.279 362 V C -0.251 175.782 176.094 -0.101 0.000 1.029 362 V CA -0.758 61.507 62.300 -0.058 0.000 0.870 362 V CB 1.274 33.076 31.823 -0.034 0.000 0.984 362 V HN 0.774 nan 8.190 nan 0.000 0.451 363 V N 4.666 124.480 119.914 -0.166 0.000 2.364 363 V HA 0.300 4.420 4.120 0.000 0.000 0.272 363 V C 0.499 176.513 176.094 -0.134 0.000 1.036 363 V CA -0.067 62.103 62.300 -0.217 0.000 0.880 363 V CB 1.588 33.146 31.823 -0.442 0.000 0.991 363 V HN 0.966 nan 8.190 nan 0.000 0.460 364 T N 5.305 119.817 114.554 -0.070 0.000 2.767 364 T HA 0.529 4.879 4.350 0.000 0.000 0.284 364 T C -0.226 174.486 174.700 0.020 0.000 0.973 364 T CA -0.268 61.822 62.100 -0.017 0.000 0.996 364 T CB 1.409 70.271 68.868 -0.010 0.000 0.927 364 T HN 0.334 nan 8.240 nan 0.000 0.456 365 V N 2.668 122.625 119.914 0.071 0.000 2.459 365 V HA 0.837 4.957 4.120 0.000 0.000 0.295 365 V C -0.083 176.080 176.094 0.116 0.000 1.029 365 V CA -0.819 61.561 62.300 0.134 0.000 0.874 365 V CB 1.415 33.379 31.823 0.236 0.000 0.985 365 V HN 1.067 nan 8.190 nan 0.000 0.438 366 A N 3.389 126.255 122.820 0.077 0.000 2.427 366 A HA 0.971 5.291 4.320 0.000 0.000 0.298 366 A C -0.169 177.427 177.584 0.020 0.000 1.036 366 A CA -0.007 52.057 52.037 0.044 0.000 0.701 366 A CB 1.889 20.901 19.000 0.019 0.000 1.250 366 A HN 1.212 nan 8.150 nan 0.000 0.412 367 G N -0.338 108.478 108.800 0.026 0.000 2.695 367 G HA2 0.639 4.599 3.960 0.000 0.000 0.290 367 G HA3 0.639 4.599 3.960 0.000 0.000 0.290 367 G C -1.788 173.119 174.900 0.011 0.000 1.410 367 G CA -0.562 44.533 45.100 -0.008 0.000 0.844 367 G HN 1.138 nan 8.290 nan 0.000 0.478 368 V N 0.277 120.184 119.914 -0.011 0.000 2.638 368 V HA 0.679 4.799 4.120 0.000 0.000 0.306 368 V C -0.270 175.808 176.094 -0.027 0.000 1.052 368 V CA -0.715 61.588 62.300 0.006 0.000 0.885 368 V CB 1.896 33.720 31.823 0.002 0.000 0.999 368 V HN 0.756 nan 8.190 nan 0.000 0.424 369 S N 4.138 119.833 115.700 -0.009 0.000 2.482 369 S HA 0.579 5.049 4.470 0.000 0.000 0.303 369 S C -0.626 173.786 174.600 -0.315 0.000 1.091 369 S CA -0.809 57.288 58.200 -0.170 0.000 1.057 369 S CB 1.169 64.343 63.200 -0.043 0.000 1.031 369 S HN 0.751 nan 8.310 nan 0.000 0.485 370 N N 1.741 120.126 118.700 -0.523 0.000 2.321 370 N HA 0.606 5.346 4.740 0.000 0.000 0.299 370 N C -1.494 173.646 175.510 -0.616 0.000 1.048 370 N CA -0.223 52.606 53.050 -0.368 0.000 0.836 370 N CB 1.387 39.792 38.487 -0.136 0.000 1.269 370 N HN 0.403 nan 8.380 nan 0.000 0.486 371 F N 0.013 119.983 119.950 0.032 0.000 2.576 371 F HA 0.332 4.859 4.527 0.000 0.000 0.313 371 F C 0.492 176.298 175.800 0.010 0.000 1.078 371 F CA -0.875 57.126 58.000 0.002 0.000 0.921 371 F CB 1.903 40.876 39.000 -0.044 0.000 1.232 371 F HN 0.149 nan 8.300 nan 0.000 0.459 372 E N 3.008 123.310 120.200 0.171 0.000 2.200 372 E HA 0.600 4.950 4.350 0.000 0.000 0.283 372 E C -1.156 175.578 176.600 0.224 0.000 1.015 372 E CA -0.418 56.065 56.400 0.139 0.000 0.819 372 E CB 1.534 31.131 29.700 -0.172 0.000 1.081 372 E HN 0.416 nan 8.360 nan 0.000 0.397 373 L N 3.779 125.159 121.223 0.262 0.000 2.388 373 L HA 0.555 4.895 4.340 0.000 0.000 0.264 373 L C -0.643 176.401 176.870 0.291 0.000 0.998 373 L CA -0.824 54.109 54.840 0.155 0.000 0.817 373 L CB 1.861 43.686 42.059 -0.391 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.473 124.246 120.570 0.338 0.000 2.362 374 I HA 0.353 4.523 4.170 0.000 0.000 0.289 374 I C -2.207 174.146 176.117 0.393 0.000 0.994 374 I CA -2.011 59.463 61.300 0.291 0.000 1.158 374 I CB 1.941 40.054 38.000 0.189 0.000 1.315 374 I HN 0.247 nan 8.210 nan 0.000 0.451 375 P HA 0.057 nan 4.420 nan 0.000 0.272 375 P C -0.971 176.365 177.300 0.061 0.000 1.223 375 P CA -0.344 62.852 63.100 0.159 0.000 0.784 375 P CB 0.277 32.011 31.700 0.057 0.000 0.923 376 N N 2.430 121.097 118.700 -0.055 0.000 2.354 376 N HA 0.072 4.812 4.740 0.000 0.000 0.246 376 N C -1.966 173.525 175.510 -0.032 0.000 1.285 376 N CA -1.578 51.450 53.050 -0.037 0.000 0.925 376 N CB -1.386 37.055 38.487 -0.077 0.000 1.174 376 N HN 0.155 nan 8.380 nan 0.000 0.478 377 P HA -0.163 nan 4.420 nan 0.000 0.216 377 P C 0.987 178.271 177.300 -0.027 0.000 1.150 377 P CA 1.519 64.611 63.100 -0.014 0.000 0.843 377 P CB 0.194 31.888 31.700 -0.010 0.000 0.787 378 E N -0.964 119.211 120.200 -0.041 0.000 2.107 378 E HA -0.103 4.247 4.350 0.000 0.000 0.191 378 E C 1.758 178.327 176.600 -0.052 0.000 0.982 378 E CA 0.734 57.108 56.400 -0.043 0.000 0.809 378 E CB -1.029 28.643 29.700 -0.046 0.000 0.756 378 E HN 0.018 nan 8.360 nan 0.000 0.459 379 L N -0.075 121.100 121.223 -0.080 0.000 2.156 379 L HA 0.132 4.472 4.340 0.000 0.000 0.208 379 L C 2.020 178.860 176.870 -0.051 0.000 1.095 379 L CA 1.443 56.228 54.840 -0.092 0.000 0.770 379 L CB -0.640 41.305 42.059 -0.191 0.000 0.914 379 L HN 0.177 nan 8.230 nan 0.000 0.439 380 A N -0.884 121.915 122.820 -0.035 0.000 2.131 380 A HA -0.221 4.099 4.320 0.000 0.000 0.220 380 A C 2.177 179.754 177.584 -0.011 0.000 1.158 380 A CA 1.496 53.528 52.037 -0.010 0.000 0.665 380 A CB -0.514 18.485 19.000 -0.002 0.000 0.795 380 A HN 0.469 nan 8.150 nan 0.000 0.460 381 K N -0.774 119.616 120.400 -0.017 0.000 2.366 381 K HA 0.016 4.336 4.320 0.000 0.000 0.198 381 K C 0.355 176.949 176.600 -0.010 0.000 1.044 381 K CA 0.844 57.123 56.287 -0.013 0.000 0.973 381 K CB 0.059 32.550 32.500 -0.015 0.000 0.767 381 K HN 0.390 nan 8.250 nan 0.000 0.475 382 N N -0.166 118.528 118.700 -0.010 0.000 2.118 382 N HA 0.046 4.786 4.740 0.000 0.000 0.226 382 N C -1.031 174.482 175.510 0.005 0.000 1.305 382 N CA -0.053 52.994 53.050 -0.004 0.000 0.890 382 N CB 1.083 39.566 38.487 -0.007 0.000 1.118 382 N HN -0.018 nan 8.380 nan 0.000 0.511 383 L N 2.507 123.735 121.223 0.008 0.000 2.318 383 L HA 0.442 4.782 4.340 0.000 0.000 0.277 383 L C -0.314 176.568 176.870 0.021 0.000 1.008 383 L CA -0.569 54.288 54.840 0.029 0.000 0.846 383 L CB 1.237 43.327 42.059 0.051 0.000 1.220 383 L HN -0.275 nan 8.230 nan 0.000 0.423 384 V N 4.126 124.048 119.914 0.013 0.000 2.585 384 V HA 0.244 4.364 4.120 0.000 0.000 0.296 384 V C 0.847 176.930 176.094 -0.018 0.000 1.035 384 V CA -0.007 62.289 62.300 -0.007 0.000 1.084 384 V CB 1.242 33.060 31.823 -0.008 0.000 0.953 384 V HN 0.907 nan 8.190 nan 0.000 0.483 385 T N 2.500 117.023 114.554 -0.051 0.000 2.912 385 T HA 0.810 5.160 4.350 0.000 0.000 0.288 385 T C -0.745 173.853 174.700 -0.170 0.000 1.030 385 T CA -0.897 61.144 62.100 -0.099 0.000 1.020 385 T CB 2.274 71.086 68.868 -0.093 0.000 1.056 385 T HN 0.680 nan 8.240 nan 0.000 0.480 386 E N 0.182 120.231 120.200 -0.251 0.000 2.408 386 E HA 0.359 4.709 4.350 0.000 0.000 0.275 386 E C -1.266 175.124 176.600 -0.350 0.000 0.935 386 E CA -0.978 55.267 56.400 -0.257 0.000 0.775 386 E CB 1.826 31.444 29.700 -0.136 0.000 1.277 386 E HN 0.652 nan 8.360 nan 0.000 0.455 387 Y N 0.499 120.756 120.300 -0.071 0.000 2.480 387 Y HA 0.227 4.777 4.550 0.000 0.000 0.338 387 Y C 1.436 177.332 175.900 -0.006 0.000 1.220 387 Y CA 0.208 58.307 58.100 -0.001 0.000 1.430 387 Y CB 0.506 38.982 38.460 0.026 0.000 1.311 387 Y HN 0.604 nan 8.280 nan 0.000 0.575 388 G N 2.766 111.753 108.800 0.312 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 -0.221 174.797 174.900 0.197 0.000 1.266 388 G CA -0.887 44.370 45.100 0.262 0.000 0.847 388 G HN 0.435 nan 8.290 nan 0.000 0.583 389 R N -0.077 120.514 120.500 0.152 0.000 2.538 389 R HA -0.018 4.322 4.340 0.000 0.000 0.282 389 R C -0.315 176.093 176.300 0.181 0.000 1.009 389 R CA -0.421 55.764 56.100 0.141 0.000 1.063 389 R CB -0.022 30.334 30.300 0.092 0.000 0.945 389 R HN 0.382 nan 8.270 nan 0.000 0.414 390 F N 4.894 124.863 119.950 0.033 0.000 2.421 390 F HA 0.161 4.688 4.527 0.000 0.000 0.358 390 F C -0.322 175.486 175.800 0.012 0.000 1.115 390 F CA -1.369 56.641 58.000 0.016 0.000 1.160 390 F CB 0.450 39.453 39.000 0.006 0.000 1.123 390 F HN 0.483 nan 8.300 nan 0.000 0.508 391 D N 8.088 128.178 120.400 -0.517 0.000 2.686 391 D HA 0.319 4.959 4.640 0.000 0.000 0.249 391 D C -3.288 172.594 176.300 -0.696 0.000 1.260 391 D CA -2.036 51.549 54.000 -0.691 0.000 0.910 391 D CB 1.732 42.353 40.800 -0.299 0.000 1.323 391 D HN 0.216 nan 8.370 nan 0.000 0.561 392 P HA 0.280 nan 4.420 nan 0.000 0.275 392 P C 1.012 178.202 177.300 -0.184 0.000 1.228 392 P CA 0.454 63.315 63.100 -0.399 0.000 0.786 392 P CB 1.076 32.629 31.700 -0.246 0.000 0.927 393 G N 1.479 110.241 108.800 -0.063 0.000 2.205 393 G HA2 -0.354 3.606 3.960 0.000 0.000 0.261 393 G HA3 -0.354 3.606 3.960 0.000 0.000 0.261 393 G C 1.120 176.043 174.900 0.038 0.000 0.980 393 G CA 0.703 45.803 45.100 0.001 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.504 122.308 122.820 -0.014 0.000 1.877 394 A HA 0.199 4.519 4.320 0.000 0.000 0.216 394 A C 2.271 179.919 177.584 0.107 0.000 1.186 394 A CA 2.822 54.888 52.037 0.048 0.000 0.620 394 A CB -0.363 18.630 19.000 -0.011 0.000 0.822 394 A HN 1.153 nan 8.150 nan 0.000 0.443 395 M N 0.837 120.451 119.600 0.022 0.000 2.132 395 M HA -0.075 4.405 4.480 0.000 0.000 0.263 395 M C 1.542 177.891 176.300 0.082 0.000 1.065 395 M CA 1.730 57.037 55.300 0.011 0.000 1.122 395 M CB -0.962 31.612 32.600 -0.044 0.000 1.365 395 M HN 0.511 nan 8.290 nan 0.000 0.411 396 N N -1.300 117.453 118.700 0.088 0.000 2.166 396 N HA -0.220 4.520 4.740 0.000 0.000 0.186 396 N C 1.737 177.324 175.510 0.128 0.000 1.019 396 N CA 1.625 54.732 53.050 0.095 0.000 0.856 396 N CB -0.415 38.124 38.487 0.087 0.000 0.993 396 N HN 0.427 nan 8.380 nan 0.000 0.426 397 Y N 2.329 122.660 120.300 0.052 0.000 2.200 397 Y HA -0.161 4.389 4.550 0.000 0.000 0.290 397 Y C 2.526 178.482 175.900 0.093 0.000 1.137 397 Y CA 1.411 59.552 58.100 0.068 0.000 1.163 397 Y CB -0.465 38.037 38.460 0.069 0.000 0.988 397 Y HN -0.031 nan 8.280 nan 0.000 0.518 398 T N 0.150 114.834 114.554 0.216 0.000 2.746 398 T HA -0.197 4.153 4.350 0.000 0.000 0.267 398 T C 1.797 176.560 174.700 0.104 0.000 1.039 398 T CA 1.886 64.101 62.100 0.192 0.000 1.142 398 T CB -0.191 68.865 68.868 0.314 0.000 0.866 398 T HN 0.265 nan 8.240 nan 0.000 0.444 399 K N 0.376 120.831 120.400 0.092 0.000 2.097 399 K HA -0.002 4.318 4.320 0.000 0.000 0.206 399 K C 2.192 178.793 176.600 0.002 0.000 1.049 399 K CA 0.814 57.138 56.287 0.062 0.000 0.933 399 K CB -0.334 32.203 32.500 0.061 0.000 0.717 399 K HN 0.135 nan 8.250 nan 0.000 0.442 400 L N 1.315 122.511 121.223 -0.046 0.000 1.994 400 L HA -0.174 4.166 4.340 0.000 0.000 0.208 400 L C 1.893 178.686 176.870 -0.129 0.000 1.071 400 L CA 1.578 56.360 54.840 -0.097 0.000 0.745 400 L CB -0.374 41.592 42.059 -0.156 0.000 0.892 400 L HN 0.082 nan 8.230 nan 0.000 0.431 401 I N -0.291 120.158 120.570 -0.201 0.000 2.127 401 I HA -0.317 3.853 4.170 0.000 0.000 0.241 401 I C 2.595 178.677 176.117 -0.058 0.000 1.075 401 I CA 1.649 62.855 61.300 -0.157 0.000 1.334 401 I CB -1.260 36.638 38.000 -0.169 0.000 1.040 401 I HN 0.322 nan 8.210 nan 0.000 0.405 402 L N 0.019 121.228 121.223 -0.023 0.000 2.141 402 L HA -0.177 4.163 4.340 0.000 0.000 0.209 402 L C 2.696 179.555 176.870 -0.018 0.000 1.094 402 L CA 1.362 56.200 54.840 -0.005 0.000 0.763 402 L CB -0.590 41.487 42.059 0.029 0.000 0.908 402 L HN 0.275 nan 8.230 nan 0.000 0.437 403 S N -0.198 115.490 115.700 -0.020 0.000 2.399 403 S HA -0.162 4.308 4.470 0.000 0.000 0.231 403 S C 1.522 176.107 174.600 -0.025 0.000 1.022 403 S CA 1.183 59.370 58.200 -0.021 0.000 0.983 403 S CB -0.065 63.124 63.200 -0.018 0.000 0.803 403 S HN 0.400 nan 8.310 nan 0.000 0.480 404 E N 0.660 120.842 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 0.000 0.000 0.199 404 E C 1.530 178.116 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.116 56.400 -0.023 0.000 0.933 404 E CB -0.007 29.682 29.700 -0.019 0.000 1.050 404 E HN 0.505 nan 8.360 nan 0.000 0.462 405 R N 1.456 121.938 120.500 -0.032 0.000 2.112 405 R HA -0.198 4.142 4.340 0.000 0.000 0.242 405 R C 0.898 177.161 176.300 -0.061 0.000 1.137 405 R CA 1.852 57.926 56.100 -0.043 0.000 0.944 405 R CB 0.111 30.379 30.300 -0.053 0.000 0.857 405 R HN 0.085 nan 8.270 nan 0.000 0.435 406 D N -0.254 120.109 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 0.000 0.000 0.201 406 D C 2.029 178.296 176.300 -0.056 0.000 0.972 406 D CA 1.417 55.373 54.000 -0.073 0.000 0.835 406 D CB -0.217 40.544 40.800 -0.065 0.000 0.966 406 D HN 0.446 nan 8.370 nan 0.000 0.476 407 R N 0.795 121.277 120.500 -0.031 0.000 2.148 407 R HA 0.015 4.355 4.340 0.000 0.000 0.223 407 R C 2.016 178.320 176.300 0.007 0.000 1.088 407 R CA 0.795 56.888 56.100 -0.012 0.000 0.985 407 R CB -0.446 29.854 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.344 121.576 121.223 0.016 0.000 2.446 408 L HA 0.272 4.612 4.340 0.000 0.000 0.219 408 L C 0.923 177.816 176.870 0.039 0.000 1.116 408 L CA 0.525 55.407 54.840 0.070 0.000 0.844 408 L CB -0.020 42.102 42.059 0.105 0.000 0.970 408 L HN 0.634 nan 8.230 nan 0.000 0.457 409 G N 1.521 110.285 108.800 -0.061 0.000 2.272 409 G HA2 -0.287 3.673 3.960 0.000 0.000 0.280 409 G HA3 -0.287 3.673 3.960 0.000 0.000 0.280 409 G C 0.039 174.742 174.900 -0.329 0.000 1.067 409 G CA -0.203 44.792 45.100 -0.175 0.000 0.902 409 G HN 0.301 nan 8.290 nan 0.000 0.500 410 I N 0.836 121.256 120.570 -0.249 0.000 2.294 410 I HA 0.207 4.377 4.170 0.000 0.000 0.295 410 I C 0.924 176.823 176.117 -0.362 0.000 1.098 410 I CA -0.036 61.113 61.300 -0.252 0.000 1.277 410 I CB 0.411 38.368 38.000 -0.072 0.000 1.434 410 I HN 0.088 nan 8.210 nan 0.000 0.498 411 K N 3.364 123.279 120.400 -0.808 0.000 2.087 411 K HA 0.336 4.656 4.320 0.000 0.000 0.255 411 K C 1.147 177.516 176.600 -0.385 0.000 0.988 411 K CA -0.461 55.310 56.287 -0.860 0.000 0.915 411 K CB 1.196 32.741 32.500 -1.591 0.000 1.043 411 K HN 0.555 nan 8.250 nan 0.000 0.457 412 T N -3.139 111.261 114.554 -0.257 0.000 3.051 412 T HA 0.049 4.399 4.350 0.000 0.000 0.255 412 T C 0.676 175.355 174.700 -0.035 0.000 1.085 412 T CA -0.128 61.931 62.100 -0.068 0.000 1.109 412 T CB -0.136 68.697 68.868 -0.059 0.000 0.921 412 T HN 0.375 nan 8.240 nan 0.000 0.488 413 V N -1.700 118.115 119.914 -0.165 0.000 2.525 413 V HA 0.812 4.932 4.120 0.000 0.000 0.299 413 V C -1.812 174.197 176.094 -0.143 0.000 1.034 413 V CA -1.748 60.519 62.300 -0.054 0.000 0.863 413 V CB 0.884 32.685 31.823 -0.036 0.000 0.999 413 V HN 0.349 nan 8.190 nan 0.000 0.423 414 W N 3.607 124.863 121.300 -0.073 0.000 2.844 414 W HA 0.737 5.397 4.660 0.000 0.000 0.340 414 W C -2.711 173.809 176.519 0.001 0.000 1.093 414 W CA -2.502 54.825 57.345 -0.029 0.000 1.212 414 W CB 1.811 31.272 29.460 0.002 0.000 1.422 414 W HN 0.346 nan 8.180 nan 0.000 0.515 415 P HA 0.075 nan 4.420 nan 0.000 0.271 415 P C 0.831 178.285 177.300 0.255 0.000 1.226 415 P CA 0.378 63.602 63.100 0.207 0.000 0.765 415 P CB 0.823 32.620 31.700 0.162 0.000 0.835 416 T N 2.759 117.421 114.554 0.181 0.000 2.699 416 T HA -0.233 4.117 4.350 0.000 0.000 0.268 416 T C 1.773 176.579 174.700 0.177 0.000 1.036 416 T CA 1.748 63.945 62.100 0.162 0.000 1.147 416 T CB -0.352 68.576 68.868 0.101 0.000 0.862 416 T HN 0.429 nan 8.240 nan 0.000 0.446 417 R N 1.485 122.073 120.500 0.147 0.000 2.103 417 R HA -0.107 4.233 4.340 0.000 0.000 0.242 417 R C 2.128 178.518 176.300 0.150 0.000 1.142 417 R CA 1.878 58.053 56.100 0.125 0.000 0.960 417 R CB -0.410 29.952 30.300 0.103 0.000 0.858 417 R HN 0.479 nan 8.270 nan 0.000 0.439 418 E N -1.182 119.146 120.200 0.214 0.000 2.150 418 E HA -0.211 4.139 4.350 0.000 0.000 0.193 418 E C 1.618 178.408 176.600 0.317 0.000 0.985 418 E CA 1.199 57.769 56.400 0.282 0.000 0.814 418 E CB -0.220 29.688 29.700 0.347 0.000 0.752 418 E HN 0.437 nan 8.360 nan 0.000 0.466 419 Y N 1.536 121.887 120.300 0.085 0.000 2.220 419 Y HA -0.180 4.370 4.550 0.000 0.000 0.291 419 Y C 2.362 178.168 175.900 -0.156 0.000 1.129 419 Y CA 1.638 59.497 58.100 -0.401 0.000 1.161 419 Y CB -0.333 37.733 38.460 -0.656 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.426 114.949 114.554 -0.051 0.000 2.684 420 T HA -0.186 4.164 4.350 0.000 0.000 0.267 420 T C 1.324 175.979 174.700 -0.075 0.000 1.036 420 T CA 1.751 63.801 62.100 -0.083 0.000 1.148 420 T CB -0.393 68.489 68.868 0.024 0.000 0.863 420 T HN 0.358 nan 8.240 nan 0.000 0.436 421 D N 0.462 120.873 120.400 0.017 0.000 2.104 421 D HA -0.068 4.572 4.640 0.000 0.000 0.194 421 D C 1.667 178.017 176.300 0.083 0.000 0.994 421 D CA 0.743 54.780 54.000 0.061 0.000 0.830 421 D CB -0.516 40.344 40.800 0.100 0.000 0.959 421 D HN 0.362 nan 8.370 nan 0.000 0.452 422 F N 1.822 121.720 119.950 -0.087 0.000 2.095 422 F HA -0.170 4.357 4.527 0.000 0.000 0.298 422 F C 2.286 178.043 175.800 -0.072 0.000 1.104 422 F CA 1.475 59.436 58.000 -0.065 0.000 1.232 422 F CB -0.090 38.791 39.000 -0.199 0.000 0.987 422 F HN -0.201 nan 8.300 nan 0.000 0.475 423 R N 0.350 120.635 120.500 -0.357 0.000 2.094 423 R HA -0.244 4.096 4.340 0.000 0.000 0.239 423 R C 2.364 178.538 176.300 -0.211 0.000 1.137 423 R CA 2.191 58.086 56.100 -0.342 0.000 0.943 423 R CB -0.797 29.297 30.300 -0.343 0.000 0.850 423 R HN 0.638 nan 8.270 nan 0.000 0.433 424 E N -0.620 119.498 120.200 -0.137 0.000 2.216 424 E HA -0.201 4.149 4.350 0.000 0.000 0.192 424 E C 1.656 178.206 176.600 -0.082 0.000 0.988 424 E CA 0.778 57.117 56.400 -0.103 0.000 0.834 424 E CB -0.295 29.371 29.700 -0.056 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.091 121.299 120.300 -0.152 0.000 2.130 425 Y HA -0.029 4.521 4.550 0.000 0.000 0.287 425 Y C 1.101 176.920 175.900 -0.136 0.000 1.124 425 Y CA 0.958 58.994 58.100 -0.108 0.000 1.118 425 Y CB -0.242 38.197 38.460 -0.036 0.000 0.994 425 Y HN 0.093 nan 8.280 nan 0.000 0.497 426 F N 0.485 120.268 119.950 -0.278 0.000 2.521 426 F HA 0.010 4.537 4.527 0.000 0.000 0.298 426 F C 1.000 176.623 175.800 -0.295 0.000 1.289 426 F CA 0.141 57.919 58.000 -0.369 0.000 1.315 426 F CB 0.210 38.792 39.000 -0.695 0.000 1.257 426 F HN 0.127 nan 8.300 nan 0.000 0.541 427 M N 2.183 120.813 119.600 -1.618 0.000 2.212 427 M HA -0.257 4.223 4.480 0.000 0.000 0.193 427 M C 0.252 176.235 176.300 -0.528 0.000 0.493 427 M CA 0.755 55.417 55.300 -1.063 0.000 0.427 427 M CB -1.119 31.071 32.600 -0.683 0.000 1.120 427 M HN 0.811 nan 8.290 nan 0.000 0.929 428 E N -1.076 118.849 120.200 -0.458 0.000 2.474 428 E HA 0.186 4.536 4.350 0.000 0.000 0.195 428 E C -0.044 176.410 176.600 -0.244 0.000 1.039 428 E CA 0.131 56.350 56.400 -0.301 0.000 0.881 428 E CB 0.706 30.237 29.700 -0.281 0.000 0.970 428 E HN 0.403 nan 8.360 nan 0.000 0.486 429 V N 0.922 120.673 119.914 -0.273 0.000 2.483 429 V HA 0.572 4.692 4.120 0.000 0.000 0.297 429 V C -0.669 175.306 176.094 -0.199 0.000 1.027 429 V CA -0.608 61.570 62.300 -0.203 0.000 0.855 429 V CB 1.622 33.345 31.823 -0.167 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.054 125.785 122.820 -0.150 0.000 2.839 430 A HA 0.473 4.793 4.320 0.000 0.000 0.303 430 A C -0.409 177.120 177.584 -0.091 0.000 1.181 430 A CA -0.309 51.656 52.037 -0.120 0.000 0.808 430 A CB 0.576 19.503 19.000 -0.122 0.000 1.391 430 A HN 0.634 nan 8.150 nan 0.000 0.433 431 D N 2.398 122.750 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 0.000 0.000 0.236 431 D C 1.162 177.430 176.300 -0.053 0.000 1.233 431 D CA 0.293 54.252 54.000 -0.069 0.000 0.829 431 D CB -0.492 40.266 40.800 -0.070 0.000 1.024 431 D HN 0.649 nan 8.370 nan 0.000 0.490 432 L N -1.481 119.713 121.223 -0.048 0.000 5.895 432 L HA -0.355 3.985 4.340 0.000 0.000 0.053 432 L C 0.624 177.473 176.870 -0.035 0.000 2.741 432 L CA 1.258 56.076 54.840 -0.038 0.000 1.500 432 L CB -1.647 40.392 42.059 -0.033 0.000 2.928 432 L HN 0.287 nan 8.230 nan 0.000 1.023 433 N N -0.392 118.290 118.700 -0.030 0.000 3.112 433 N HA 0.645 5.385 4.740 0.000 0.000 0.231 433 N C -0.382 175.113 175.510 -0.025 0.000 1.385 433 N CA 0.452 53.485 53.050 -0.028 0.000 0.790 433 N CB 0.476 38.949 38.487 -0.023 0.000 1.563 433 N HN 1.149 nan 8.380 nan 0.000 0.613 434 S N 1.056 116.740 115.700 -0.027 0.000 2.560 434 S HA 0.506 4.976 4.470 0.000 0.000 0.276 434 S C -1.256 173.332 174.600 -0.020 0.000 1.350 434 S CA -0.521 57.664 58.200 -0.024 0.000 1.024 434 S CB -0.715 62.469 63.200 -0.026 0.000 0.864 434 S HN 0.586 nan 8.310 nan 0.000 0.536 435 P HA -0.094 nan 4.420 nan 0.000 0.041 435 P C 0.177 177.469 177.300 -0.012 0.000 0.590 435 P CA 0.563 63.655 63.100 -0.014 0.000 1.019 435 P CB -0.672 31.020 31.700 -0.013 0.000 1.776 436 L N 0.560 121.776 121.223 -0.013 0.000 2.127 436 L HA -0.099 4.242 4.340 0.000 0.000 0.203 436 L C 2.670 179.534 176.870 -0.009 0.000 1.080 436 L CA 1.598 56.432 54.840 -0.010 0.000 0.768 436 L CB -0.991 41.062 42.059 -0.010 0.000 0.924 436 L HN 0.072 nan 8.230 nan 0.000 0.444 437 K N 0.943 121.337 120.400 -0.010 0.000 2.362 437 K HA -0.105 4.215 4.320 0.000 0.000 0.202 437 K C 1.514 178.109 176.600 -0.008 0.000 1.045 437 K CA 1.922 58.203 56.287 -0.009 0.000 0.936 437 K CB -0.801 31.693 32.500 -0.011 0.000 0.747 437 K HN 0.512 nan 8.250 nan 0.000 0.467 438 I N -1.828 118.737 120.570 -0.009 0.000 4.338 438 I HA 0.222 4.392 4.170 0.000 0.000 0.329 438 I C 2.413 178.526 176.117 -0.007 0.000 1.378 438 I CA 0.415 61.710 61.300 -0.008 0.000 1.170 438 I CB 0.753 38.748 38.000 -0.009 0.000 1.206 438 I HN 0.216 nan 8.210 nan 0.000 0.432 439 A N 1.632 124.448 122.820 -0.007 0.000 1.862 439 A HA 0.032 4.352 4.320 0.000 0.000 0.217 439 A C 1.435 179.016 177.584 -0.005 0.000 1.251 439 A CA 2.130 54.164 52.037 -0.006 0.000 0.673 439 A CB -1.160 17.837 19.000 -0.006 0.000 0.843 439 A HN 0.415 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925