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_B DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.623 174.700 -0.128 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.145 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 9 Q N 0.458 120.164 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 0.000 0.000 0.269 9 Q C 0.652 176.581 176.000 -0.119 0.000 1.030 9 Q CA 0.686 56.419 55.803 -0.116 0.000 0.788 9 Q CB 0.735 29.415 28.738 -0.096 0.000 1.266 9 Q HN 2.519 nan 8.270 nan 0.000 0.438 10 Q N 0.467 120.205 119.800 -0.103 0.000 2.363 10 Q HA -0.279 4.061 4.340 0.000 0.000 0.409 10 Q C 1.131 177.053 176.000 -0.129 0.000 1.118 10 Q CA 4.477 60.218 55.803 -0.103 0.000 0.966 10 Q CB -2.621 26.068 28.738 -0.082 0.000 1.795 10 Q HN 2.312 nan 8.270 nan 0.000 0.941 11 I N -6.417 114.081 120.570 -0.120 0.000 3.519 11 I HA 0.730 4.900 4.170 0.000 0.000 0.314 11 I C -0.602 175.445 176.117 -0.117 0.000 1.273 11 I CA -0.589 60.632 61.300 -0.131 0.000 1.108 11 I CB 1.739 39.668 38.000 -0.118 0.000 1.212 11 I HN 0.653 nan 8.210 nan 0.000 0.420 12 V N 1.733 121.609 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 0.000 0.000 0.287 12 V C -1.867 174.261 176.094 0.058 0.000 1.017 12 V CA -1.094 61.186 62.300 -0.032 0.000 0.844 12 V CB 1.089 32.871 31.823 -0.068 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.583 178.957 177.300 0.124 0.000 1.158 13 P CA 1.687 64.835 63.100 0.080 0.000 0.895 13 P CB 0.116 31.864 31.700 0.081 0.000 0.792 14 F N -0.345 119.622 119.950 0.028 0.000 2.102 14 F HA -0.165 4.362 4.527 0.000 0.000 0.298 14 F C 2.046 177.886 175.800 0.068 0.000 1.105 14 F CA 1.296 59.313 58.000 0.030 0.000 1.239 14 F CB -0.730 38.264 39.000 -0.011 0.000 0.991 14 F HN -0.234 nan 8.300 nan 0.000 0.474 15 I N 0.652 121.228 120.570 0.009 0.000 2.208 15 I HA -0.283 3.887 4.170 0.000 0.000 0.245 15 I C 2.583 178.688 176.117 -0.020 0.000 1.097 15 I CA 1.427 62.718 61.300 -0.015 0.000 1.363 15 I CB -1.309 36.847 38.000 0.260 0.000 1.051 15 I HN 0.212 nan 8.210 nan 0.000 0.413 16 R N 0.272 120.835 120.500 0.106 0.000 2.083 16 R HA -0.197 4.144 4.340 0.000 0.000 0.237 16 R C 2.595 178.910 176.300 0.024 0.000 1.137 16 R CA 2.134 58.327 56.100 0.155 0.000 0.951 16 R CB -0.235 30.134 30.300 0.115 0.000 0.851 16 R HN 0.227 nan 8.270 nan 0.000 0.434 17 S N 0.079 115.736 115.700 -0.072 0.000 2.368 17 S HA -0.118 4.353 4.470 0.000 0.000 0.224 17 S C 1.846 176.332 174.600 -0.190 0.000 1.029 17 S CA 1.133 59.269 58.200 -0.107 0.000 0.988 17 S CB -0.247 62.900 63.200 -0.089 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.302 122.290 121.223 -0.391 0.000 2.027 18 L HA 0.137 4.477 4.340 0.000 0.000 0.206 18 L C 1.964 178.757 176.870 -0.128 0.000 1.074 18 L CA 1.800 56.429 54.840 -0.352 0.000 0.745 18 L CB -0.450 41.273 42.059 -0.560 0.000 0.898 18 L HN 0.373 nan 8.230 nan 0.000 0.433 19 L N -1.521 119.648 121.223 -0.090 0.000 2.375 19 L HA 0.081 4.421 4.340 0.000 0.000 0.215 19 L C 0.679 177.631 176.870 0.138 0.000 1.108 19 L CA 0.323 55.178 54.840 0.024 0.000 0.830 19 L CB -0.001 41.989 42.059 -0.116 0.000 0.959 19 L HN 0.238 nan 8.230 nan 0.000 0.457 20 M N -0.549 119.108 119.600 0.095 0.000 2.389 20 M HA 0.238 4.718 4.480 0.000 0.000 0.206 20 M C -1.981 174.358 176.300 0.066 0.000 0.976 20 M CA -1.273 54.108 55.300 0.135 0.000 0.648 20 M CB 1.598 34.272 32.600 0.123 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.156 nan 4.420 nan 0.000 0.219 21 P C 1.359 178.659 177.300 0.001 0.000 1.146 21 P CA 1.469 64.561 63.100 -0.013 0.000 0.808 21 P CB -0.177 31.494 31.700 -0.048 0.000 0.779 22 T N -5.730 108.837 114.554 0.022 0.000 3.098 22 T HA -0.078 4.272 4.350 0.000 0.000 0.266 22 T C 1.695 176.410 174.700 0.024 0.000 1.145 22 T CA 1.378 63.492 62.100 0.022 0.000 1.092 22 T CB -1.422 67.466 68.868 0.034 0.000 0.908 22 T HN 0.016 nan 8.240 nan 0.000 0.526 23 T N 0.844 115.414 114.554 0.027 0.000 3.023 23 T HA 0.454 4.804 4.350 0.000 0.000 0.266 23 T C 0.929 175.643 174.700 0.023 0.000 1.093 23 T CA 1.045 63.159 62.100 0.024 0.000 1.129 23 T CB -0.656 68.230 68.868 0.030 0.000 0.899 23 T HN 0.989 nan 8.240 nan 0.000 0.491 24 G N 1.344 110.157 108.800 0.022 0.000 2.408 24 G HA2 0.073 4.033 3.960 0.000 0.000 0.682 24 G HA3 0.073 4.033 3.960 0.000 0.000 0.682 24 G C -3.333 171.585 174.900 0.030 0.000 1.303 24 G CA -0.959 44.159 45.100 0.030 0.000 0.966 24 G HN 0.075 nan 8.290 nan 0.000 0.560 25 P HA 0.721 nan 4.420 nan 0.000 0.283 25 P C -0.460 176.901 177.300 0.102 0.000 1.271 25 P CA 0.185 63.326 63.100 0.068 0.000 0.841 25 P CB 1.985 33.738 31.700 0.088 0.000 1.122 26 A N 0.511 123.422 122.820 0.151 0.000 2.572 26 A HA 0.601 4.921 4.320 0.000 0.000 0.295 26 A C -0.528 177.211 177.584 0.258 0.000 1.072 26 A CA -0.541 51.618 52.037 0.203 0.000 0.691 26 A CB 0.726 19.862 19.000 0.226 0.000 1.291 26 A HN 0.381 nan 8.150 nan 0.000 0.404 27 S N 0.797 116.634 115.700 0.228 0.000 2.549 27 S HA 0.362 4.832 4.470 0.000 0.000 0.279 27 S C 0.297 174.879 174.600 -0.030 0.000 1.321 27 S CA -0.162 58.144 58.200 0.175 0.000 1.054 27 S CB 0.071 63.439 63.200 0.280 0.000 0.899 27 S HN 0.463 nan 8.310 nan 0.000 0.497 28 I N 4.945 125.383 120.570 -0.220 0.000 2.598 28 I HA 0.105 4.275 4.170 0.000 0.000 0.284 28 I C -1.560 174.221 176.117 -0.560 0.000 1.140 28 I CA -1.404 59.469 61.300 -0.712 0.000 1.420 28 I CB 0.385 38.071 38.000 -0.523 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.108 nan 4.420 nan 0.000 0.214 29 P C -1.037 176.099 177.300 -0.273 0.000 1.807 29 P CA -0.266 62.621 63.100 -0.354 0.000 0.921 29 P CB -0.408 31.106 31.700 -0.310 0.000 1.835 30 D N -1.011 119.241 120.400 -0.246 0.000 2.541 30 D HA 0.118 4.758 4.640 0.000 0.000 0.276 30 D C 0.449 176.729 176.300 -0.033 0.000 1.190 30 D CA -0.367 53.558 54.000 -0.125 0.000 1.095 30 D CB -0.006 40.732 40.800 -0.103 0.000 1.173 30 D HN -0.174 nan 8.370 nan 0.000 0.604 31 D N -1.345 119.056 120.400 0.001 0.000 2.349 31 D HA 0.039 4.680 4.640 0.000 0.000 0.214 31 D C -0.008 176.320 176.300 0.046 0.000 1.063 31 D CA 0.319 54.332 54.000 0.022 0.000 0.847 31 D CB 0.074 40.886 40.800 0.019 0.000 0.933 31 D HN 0.274 nan 8.370 nan 0.000 0.513 32 T N 2.123 116.714 114.554 0.063 0.000 4.104 32 T HA 0.178 4.528 4.350 0.000 0.000 0.285 32 T C 0.896 175.699 174.700 0.172 0.000 1.346 32 T CA -0.093 62.078 62.100 0.118 0.000 1.158 32 T CB -0.336 68.613 68.868 0.134 0.000 1.290 32 T HN 0.034 nan 8.240 nan 0.000 0.975 33 L N 3.407 124.722 121.223 0.153 0.000 2.404 33 L HA 0.254 4.594 4.340 0.000 0.000 0.277 33 L C 0.772 177.851 176.870 0.347 0.000 1.184 33 L CA 0.048 55.029 54.840 0.235 0.000 1.013 33 L CB -0.083 42.029 42.059 0.089 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.940 123.332 120.200 0.320 0.000 2.207 34 E HA 0.317 4.667 4.350 0.000 0.000 0.270 34 E C -0.606 176.014 176.600 0.033 0.000 0.927 34 E CA -0.955 55.503 56.400 0.096 0.000 0.799 34 E CB 2.439 31.975 29.700 -0.274 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.455 123.625 120.400 -0.383 0.000 2.412 35 K HA 0.050 4.370 4.320 0.000 0.000 0.284 35 K C 0.225 176.740 176.600 -0.140 0.000 1.046 35 K CA 0.308 56.310 56.287 -0.475 0.000 0.999 35 K CB 0.144 32.315 32.500 -0.548 0.000 0.941 35 K HN 0.524 nan 8.250 nan 0.000 0.474 36 H N -0.229 118.777 119.070 -0.106 0.000 2.959 36 H HA 0.483 5.039 4.556 0.000 0.000 0.296 36 H C -1.079 174.281 175.328 0.053 0.000 1.421 36 H CA -0.798 55.261 56.048 0.018 0.000 1.206 36 H CB 1.933 31.799 29.762 0.173 0.000 1.891 36 H HN 0.402 nan 8.280 nan 0.000 0.573 37 T N 0.598 115.267 114.554 0.191 0.000 2.906 37 T HA 0.541 4.891 4.350 0.000 0.000 0.295 37 T C -0.892 173.948 174.700 0.233 0.000 1.061 37 T CA -0.738 61.435 62.100 0.123 0.000 1.000 37 T CB 1.114 70.059 68.868 0.130 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.494 124.823 121.223 0.177 0.000 2.307 38 L HA 0.741 5.081 4.340 0.000 0.000 0.284 38 L C 0.026 176.977 176.870 0.135 0.000 1.023 38 L CA -0.746 54.207 54.840 0.188 0.000 0.810 38 L CB 1.592 43.758 42.059 0.179 0.000 1.231 38 L HN 0.507 nan 8.230 nan 0.000 0.423 39 R N 0.899 121.484 120.500 0.142 0.000 2.771 39 R HA 0.599 4.939 4.340 0.000 0.000 0.274 39 R C -1.293 175.121 176.300 0.190 0.000 0.987 39 R CA -0.469 55.714 56.100 0.140 0.000 0.908 39 R CB 2.497 32.847 30.300 0.084 0.000 1.213 39 R HN 0.519 nan 8.270 nan 0.000 0.468 40 S N 1.188 116.983 115.700 0.159 0.000 2.472 40 S HA 0.499 4.969 4.470 0.000 0.000 0.303 40 S C -1.108 173.605 174.600 0.190 0.000 1.099 40 S CA -0.847 57.444 58.200 0.151 0.000 1.077 40 S CB 1.472 64.725 63.200 0.089 0.000 1.031 40 S HN 0.316 nan 8.310 nan 0.000 0.487 41 E N 2.333 122.676 120.200 0.238 0.000 2.224 41 E HA 0.338 4.689 4.350 0.000 0.000 0.265 41 E C -0.401 176.297 176.600 0.163 0.000 0.878 41 E CA -0.494 56.038 56.400 0.220 0.000 0.759 41 E CB 2.030 31.916 29.700 0.309 0.000 1.164 41 E HN 0.724 nan 8.360 nan 0.000 0.414 42 T N -0.567 114.053 114.554 0.110 0.000 2.882 42 T HA 0.507 4.857 4.350 0.000 0.000 0.287 42 T C 0.312 175.065 174.700 0.090 0.000 1.014 42 T CA -0.612 61.535 62.100 0.077 0.000 1.049 42 T CB 0.967 69.860 68.868 0.041 0.000 1.001 42 T HN 0.117 nan 8.240 nan 0.000 0.525 43 S N 1.315 117.067 115.700 0.087 0.000 2.561 43 S HA 0.670 5.140 4.470 0.000 0.000 0.303 43 S C -0.326 174.298 174.600 0.040 0.000 1.110 43 S CA -0.922 57.349 58.200 0.119 0.000 1.034 43 S CB 1.414 64.766 63.200 0.252 0.000 1.010 43 S HN 1.069 nan 8.310 nan 0.000 0.482 44 T N 1.159 115.612 114.554 -0.169 0.000 2.881 44 T HA 0.717 5.067 4.350 0.000 0.000 0.291 44 T C -1.317 173.075 174.700 -0.513 0.000 0.990 44 T CA -0.521 61.461 62.100 -0.197 0.000 0.976 44 T CB 0.426 69.205 68.868 -0.149 0.000 0.970 44 T HN 0.421 nan 8.240 nan 0.000 0.438 45 Y N 1.451 121.756 120.300 0.009 0.000 2.492 45 Y HA 0.553 5.103 4.550 0.000 0.000 0.346 45 Y C -0.178 175.697 175.900 -0.041 0.000 0.997 45 Y CA -1.231 56.859 58.100 -0.016 0.000 1.025 45 Y CB 2.336 40.782 38.460 -0.024 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.937 122.692 118.700 0.092 0.000 2.621 46 N HA 0.383 5.123 4.740 0.000 0.000 0.237 46 N C -1.306 174.209 175.510 0.009 0.000 0.997 46 N CA -0.297 52.767 53.050 0.024 0.000 0.918 46 N CB 0.937 39.425 38.487 0.002 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.956 122.142 121.223 -0.062 0.000 2.350 47 L HA 0.428 4.769 4.340 0.000 0.000 0.275 47 L C 0.719 177.548 176.870 -0.068 0.000 1.099 47 L CA -0.401 54.367 54.840 -0.120 0.000 0.808 47 L CB 0.805 42.604 42.059 -0.433 0.000 1.149 47 L HN 0.173 nan 8.230 nan 0.000 0.442 48 T N 1.821 116.387 114.554 0.020 0.000 2.799 48 T HA 0.338 4.688 4.350 0.000 0.000 0.286 48 T C 0.086 174.852 174.700 0.111 0.000 0.973 48 T CA -0.485 61.640 62.100 0.042 0.000 1.035 48 T CB 1.667 70.561 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.475 123.437 119.914 0.080 0.000 2.555 49 V HA 0.458 4.578 4.120 0.000 0.000 0.286 49 V C 1.219 177.392 176.094 0.132 0.000 1.044 49 V CA -0.262 62.131 62.300 0.155 0.000 1.026 49 V CB 1.013 32.899 31.823 0.106 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.367 111.260 108.800 0.154 0.000 2.535 50 G HA2 0.172 4.132 3.960 0.000 0.000 0.282 50 G HA3 0.172 4.132 3.960 0.000 0.000 0.282 50 G C 0.542 175.478 174.900 0.060 0.000 1.350 50 G CA -0.234 44.917 45.100 0.086 0.000 1.039 50 G HN 0.674 nan 8.290 nan 0.000 0.509 51 D N -0.512 119.906 120.400 0.030 0.000 2.158 51 D HA -0.150 4.490 4.640 0.000 0.000 0.197 51 D C 2.798 179.102 176.300 0.007 0.000 0.995 51 D CA 2.101 56.109 54.000 0.014 0.000 0.846 51 D CB -0.260 40.540 40.800 0.001 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.590 110.963 114.554 -0.001 0.000 3.088 52 T HA 0.223 4.573 4.350 0.000 0.000 0.259 52 T C 1.666 176.364 174.700 -0.003 0.000 1.122 52 T CA 0.847 62.934 62.100 -0.021 0.000 1.095 52 T CB 0.151 68.984 68.868 -0.058 0.000 0.930 52 T HN 0.217 nan 8.240 nan 0.000 0.508 53 G N 0.226 109.054 108.800 0.046 0.000 2.160 53 G HA2 -0.188 3.772 3.960 0.000 0.000 0.251 53 G HA3 -0.188 3.772 3.960 0.000 0.000 0.251 53 G C 0.042 175.027 174.900 0.141 0.000 1.008 53 G CA 0.289 45.446 45.100 0.096 0.000 0.724 53 G HN 1.001 nan 8.290 nan 0.000 0.514 54 S N -1.332 114.405 115.700 0.063 0.000 2.546 54 S HA 0.931 5.401 4.470 0.000 0.000 0.274 54 S C 0.099 174.486 174.600 -0.355 0.000 1.121 54 S CA 0.717 58.824 58.200 -0.155 0.000 0.887 54 S CB 1.849 64.954 63.200 -0.159 0.000 1.094 54 S HN 1.939 nan 8.310 nan 0.000 0.474 55 G N 1.101 109.367 108.800 -0.890 0.000 2.488 55 G HA2 0.559 4.519 3.960 0.000 0.000 0.301 55 G HA3 0.559 4.519 3.960 0.000 0.000 0.301 55 G C -2.480 172.161 174.900 -0.432 0.000 1.339 55 G CA -0.523 44.219 45.100 -0.598 0.000 0.803 55 G HN 1.006 nan 8.290 nan 0.000 0.482 56 L N -0.130 121.126 121.223 0.055 0.000 2.464 56 L HA 0.781 5.121 4.340 0.000 0.000 0.266 56 L C -1.212 175.770 176.870 0.187 0.000 0.965 56 L CA -0.654 54.250 54.840 0.106 0.000 0.833 56 L CB 1.792 43.848 42.059 -0.005 0.000 1.296 56 L HN 0.521 nan 8.230 nan 0.000 0.405 57 I N 5.348 125.962 120.570 0.073 0.000 2.354 57 I HA 0.446 4.616 4.170 0.000 0.000 0.292 57 I C -0.658 175.220 176.117 -0.398 0.000 0.989 57 I CA -0.910 60.284 61.300 -0.176 0.000 1.188 57 I CB 1.850 39.636 38.000 -0.357 0.000 1.342 57 I HN 0.254 nan 8.210 nan 0.000 0.457 58 V N 7.292 126.926 119.914 -0.466 0.000 2.350 58 V HA 0.363 4.483 4.120 0.000 0.000 0.276 58 V C -0.274 175.339 176.094 -0.802 0.000 1.028 58 V CA -0.329 61.636 62.300 -0.558 0.000 0.860 58 V CB 0.825 32.340 31.823 -0.513 0.000 0.990 58 V HN 0.404 nan 8.190 nan 0.000 0.453 59 F N 4.095 123.771 119.950 -0.457 0.000 2.458 59 F HA 0.582 5.109 4.527 0.000 0.000 0.330 59 F C -0.008 175.468 175.800 -0.539 0.000 1.082 59 F CA -0.623 57.127 58.000 -0.417 0.000 0.995 59 F CB 1.743 40.652 39.000 -0.152 0.000 1.170 59 F HN 0.367 nan 8.300 nan 0.000 0.478 60 F N 3.605 123.728 119.950 0.288 0.000 2.334 60 F HA 0.280 4.807 4.527 0.000 0.000 0.343 60 F C -1.637 174.308 175.800 0.242 0.000 1.136 60 F CA -1.813 56.328 58.000 0.235 0.000 1.237 60 F CB 0.241 39.373 39.000 0.220 0.000 1.525 60 F HN 0.268 nan 8.300 nan 0.000 0.528 61 P HA -0.133 nan 4.420 nan 0.000 0.219 61 P C 1.390 178.794 177.300 0.175 0.000 1.146 61 P CA 1.247 64.439 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 -1.690 107.246 108.800 0.226 0.000 3.337 62 G HA2 0.047 4.007 3.960 0.000 0.000 0.246 62 G HA3 0.047 4.007 3.960 0.000 0.000 0.246 62 G C -0.161 174.894 174.900 0.257 0.000 1.131 62 G CA -0.390 44.822 45.100 0.186 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.168 123.252 119.950 0.223 0.000 2.571 63 F HA 0.285 4.812 4.527 0.000 0.000 0.384 63 F C -1.596 174.354 175.800 0.249 0.000 1.058 63 F CA -2.444 55.689 58.000 0.222 0.000 1.200 63 F CB 1.107 40.242 39.000 0.224 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.319 nan 4.420 nan 0.000 0.238 64 P C -0.049 177.183 177.300 -0.112 0.000 1.794 64 P CA 0.360 63.408 63.100 -0.087 0.000 1.088 64 P CB 0.231 31.799 31.700 -0.220 0.000 1.923 65 G N 0.434 109.427 108.800 0.321 0.000 2.368 65 G HA2 -0.001 3.959 3.960 0.000 0.000 0.269 65 G HA3 -0.001 3.959 3.960 0.000 0.000 0.269 65 G C 0.224 175.382 174.900 0.430 0.000 1.291 65 G CA -0.348 44.904 45.100 0.253 0.000 0.903 65 G HN -0.039 nan 8.290 nan 0.000 0.483 66 S N -0.421 115.460 115.700 0.302 0.000 2.593 66 S HA 0.295 4.765 4.470 0.000 0.000 0.217 66 S C 0.932 175.621 174.600 0.150 0.000 0.966 66 S CA 0.065 58.382 58.200 0.195 0.000 0.914 66 S CB -0.253 63.011 63.200 0.107 0.000 0.776 66 S HN 0.349 nan 8.310 nan 0.000 0.523 67 I N 1.326 121.878 120.570 -0.031 0.000 2.337 67 I HA 0.147 4.317 4.170 0.000 0.000 0.291 67 I C 0.832 176.925 176.117 -0.040 0.000 1.046 67 I CA -0.128 61.001 61.300 -0.284 0.000 1.324 67 I CB 1.446 38.906 38.000 -0.899 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.324 125.339 119.914 0.168 0.000 2.922 68 V HA 0.436 4.556 4.120 0.000 0.000 0.242 68 V C 0.945 177.277 176.094 0.397 0.000 1.094 68 V CA 1.059 63.548 62.300 0.315 0.000 1.106 68 V CB 0.413 32.423 31.823 0.311 0.000 0.799 68 V HN 0.962 nan 8.190 nan 0.000 0.474 69 G N -1.120 107.829 108.800 0.249 0.000 2.348 69 G HA2 0.661 4.621 3.960 0.000 0.000 0.296 69 G HA3 0.661 4.621 3.960 0.000 0.000 0.296 69 G C -1.839 173.033 174.900 -0.047 0.000 1.258 69 G CA 0.157 45.247 45.100 -0.015 0.000 0.868 69 G HN 0.659 nan 8.290 nan 0.000 0.488 70 A N -0.623 122.067 122.820 -0.216 0.000 2.549 70 A HA 0.790 5.110 4.320 0.000 0.000 0.297 70 A C -1.288 176.125 177.584 -0.284 0.000 1.061 70 A CA -0.441 51.499 52.037 -0.161 0.000 0.690 70 A CB 1.546 20.561 19.000 0.025 0.000 1.287 70 A HN 1.203 nan 8.150 nan 0.000 0.402 71 H N 1.223 119.996 119.070 -0.495 0.000 2.466 71 H HA 0.644 5.200 4.556 0.000 0.000 0.338 71 H C -1.801 173.231 175.328 -0.494 0.000 1.091 71 H CA -0.283 55.533 56.048 -0.386 0.000 1.207 71 H CB 0.901 30.485 29.762 -0.297 0.000 1.466 71 H HN 0.612 nan 8.280 nan 0.000 0.493 72 Y N 2.127 122.211 120.300 -0.359 0.000 2.425 72 Y HA 0.171 4.721 4.550 0.000 0.000 0.344 72 Y C 0.460 176.189 175.900 -0.284 0.000 0.969 72 Y CA -0.824 57.146 58.100 -0.217 0.000 1.052 72 Y CB 2.136 40.662 38.460 0.111 0.000 1.215 72 Y HN 0.581 nan 8.280 nan 0.000 0.451 73 T N 0.564 115.069 114.554 -0.081 0.000 2.922 73 T HA 0.570 4.920 4.350 0.000 0.000 0.285 73 T C -0.758 173.983 174.700 0.068 0.000 1.005 73 T CA -0.754 61.343 62.100 -0.006 0.000 1.061 73 T CB 1.391 70.249 68.868 -0.016 0.000 1.007 73 T HN 0.460 nan 8.240 nan 0.000 0.502 74 L N 1.868 123.056 121.223 -0.059 0.000 2.334 74 L HA 0.447 4.787 4.340 0.000 0.000 0.277 74 L C -0.056 176.713 176.870 -0.167 0.000 1.075 74 L CA -0.031 54.650 54.840 -0.265 0.000 0.804 74 L CB 1.147 42.988 42.059 -0.364 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.438 75 Q N 2.356 122.043 119.800 -0.188 0.000 2.297 75 Q HA 0.357 4.697 4.340 0.000 0.000 0.269 75 Q C 0.920 176.853 176.000 -0.112 0.000 1.051 75 Q CA -0.178 55.559 55.803 -0.110 0.000 0.869 75 Q CB 1.459 30.151 28.738 -0.077 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.659 110.414 108.800 -0.075 0.000 2.556 76 G HA2 -0.342 3.618 3.960 0.000 0.000 0.220 76 G HA3 -0.342 3.618 3.960 0.000 0.000 0.220 76 G C 0.882 175.736 174.900 -0.076 0.000 1.156 76 G CA 1.438 46.498 45.100 -0.067 0.000 0.766 76 G HN 0.845 nan 8.290 nan 0.000 0.583 77 N N 0.814 119.468 118.700 -0.077 0.000 2.515 77 N HA 0.133 4.873 4.740 0.000 0.000 0.191 77 N C 1.554 177.002 175.510 -0.103 0.000 1.182 77 N CA 1.016 54.019 53.050 -0.078 0.000 0.879 77 N CB 0.060 38.508 38.487 -0.064 0.000 0.984 77 N HN 0.588 nan 8.380 nan 0.000 0.453 78 G N 0.423 109.139 108.800 -0.140 0.000 2.176 78 G HA2 -0.256 3.704 3.960 0.000 0.000 0.253 78 G HA3 -0.256 3.704 3.960 0.000 0.000 0.253 78 G C -0.211 174.536 174.900 -0.255 0.000 0.979 78 G CA -0.191 44.796 45.100 -0.189 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.144 118.429 118.700 -0.212 0.000 2.515 79 N HA 0.553 5.293 4.740 0.000 0.000 0.279 79 N C -0.079 175.274 175.510 -0.261 0.000 1.164 79 N CA -0.256 52.675 53.050 -0.199 0.000 0.982 79 N CB 0.446 38.872 38.487 -0.101 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.286 120.519 120.300 -0.112 0.000 2.301 80 Y HA 0.239 4.789 4.550 0.000 0.000 0.328 80 Y C 1.009 176.941 175.900 0.055 0.000 1.242 80 Y CA 0.100 58.182 58.100 -0.029 0.000 1.323 80 Y CB 1.019 39.436 38.460 -0.071 0.000 1.266 80 Y HN 0.194 nan 8.280 nan 0.000 0.527 81 K N 3.275 123.863 120.400 0.313 0.000 2.471 81 K HA 0.253 4.573 4.320 0.000 0.000 0.252 81 K C -1.439 175.367 176.600 0.344 0.000 0.938 81 K CA -0.801 55.647 56.287 0.269 0.000 0.796 81 K CB 0.900 33.472 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.834 123.928 119.950 0.240 0.000 2.607 82 F HA -0.029 4.498 4.527 0.000 0.000 0.374 82 F C 0.886 176.620 175.800 -0.110 0.000 1.104 82 F CA 0.682 58.675 58.000 -0.013 0.000 1.296 82 F CB 0.801 39.819 39.000 0.030 0.000 1.085 82 F HN 0.818 nan 8.300 nan 0.000 0.584 83 D N 2.325 122.128 120.400 -0.994 0.000 2.805 83 D HA 0.107 4.747 4.640 0.000 0.000 0.271 83 D C -0.614 175.002 176.300 -1.140 0.000 1.166 83 D CA 0.926 54.464 54.000 -0.770 0.000 1.004 83 D CB 0.220 40.758 40.800 -0.436 0.000 1.136 83 D HN 0.677 nan 8.370 nan 0.000 0.444 84 Q N -0.886 118.146 119.800 -1.281 0.000 2.578 84 Q HA 0.321 4.661 4.340 0.000 0.000 0.284 84 Q C -1.094 174.641 176.000 -0.441 0.000 0.960 84 Q CA -1.035 54.279 55.803 -0.814 0.000 0.809 84 Q CB 1.103 29.640 28.738 -0.335 0.000 1.462 84 Q HN -0.047 nan 8.270 nan 0.000 0.392 85 M N 1.802 121.390 119.600 -0.018 0.000 2.243 85 M HA 0.356 4.836 4.480 0.000 0.000 0.341 85 M C -0.522 175.648 176.300 -0.216 0.000 1.130 85 M CA -0.015 55.297 55.300 0.021 0.000 1.162 85 M CB 0.012 32.678 32.600 0.110 0.000 1.497 85 M HN 0.616 nan 8.290 nan 0.000 0.456 86 L N 4.682 125.755 121.223 -0.250 0.000 2.272 86 L HA 0.552 4.892 4.340 0.000 0.000 0.289 86 L C -0.444 176.419 176.870 -0.012 0.000 1.032 86 L CA -0.373 54.188 54.840 -0.465 0.000 0.810 86 L CB 0.665 42.492 42.059 -0.388 0.000 1.205 86 L HN 0.563 nan 8.230 nan 0.000 0.422 87 L N 1.284 122.647 121.223 0.234 0.000 2.279 87 L HA 0.569 4.910 4.340 0.000 0.000 0.262 87 L C 0.518 177.593 176.870 0.342 0.000 1.019 87 L CA -0.799 54.208 54.840 0.277 0.000 0.823 87 L CB 1.927 44.123 42.059 0.227 0.000 1.358 87 L HN 0.384 nan 8.230 nan 0.000 0.432 88 T N 0.263 114.964 114.554 0.246 0.000 2.903 88 T HA 0.093 4.443 4.350 0.000 0.000 0.314 88 T C 1.139 175.931 174.700 0.154 0.000 1.078 88 T CA 0.514 62.743 62.100 0.214 0.000 1.114 88 T CB 1.405 70.396 68.868 0.206 0.000 0.987 88 T HN 0.727 nan 8.240 nan 0.000 0.548 89 A N 2.661 125.548 122.820 0.112 0.000 1.908 89 A HA -0.070 4.250 4.320 0.000 0.000 0.218 89 A C 1.028 178.649 177.584 0.062 0.000 1.181 89 A CA 1.459 53.529 52.037 0.056 0.000 0.627 89 A CB -0.367 18.658 19.000 0.041 0.000 0.818 89 A HN 0.851 nan 8.150 nan 0.000 0.445 90 Q N -1.528 118.320 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 0.000 0.000 0.279 90 Q C -1.216 174.830 176.000 0.076 0.000 1.105 90 Q CA -0.979 54.867 55.803 0.072 0.000 0.815 90 Q CB 0.782 29.561 28.738 0.069 0.000 1.403 90 Q HN 0.137 nan 8.270 nan 0.000 0.435 91 N N 1.613 120.352 118.700 0.065 0.000 2.415 91 N HA 0.130 4.870 4.740 0.000 0.000 0.250 91 N C 0.485 176.032 175.510 0.061 0.000 1.127 91 N CA -0.008 53.078 53.050 0.060 0.000 0.945 91 N CB 0.314 38.830 38.487 0.049 0.000 1.196 91 N HN 0.766 nan 8.380 nan 0.000 0.499 92 L N 4.478 125.733 121.223 0.053 0.000 2.043 92 L HA -0.124 4.216 4.340 0.000 0.000 0.212 92 L C -0.664 176.273 176.870 0.112 0.000 1.075 92 L CA 1.267 56.160 54.840 0.087 0.000 0.752 92 L CB -1.071 40.932 42.059 -0.094 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.130 nan 4.420 nan 0.000 0.228 93 P C 1.089 178.390 177.300 0.002 0.000 1.151 93 P CA 1.269 64.382 63.100 0.022 0.000 0.770 93 P CB -0.020 31.686 31.700 0.010 0.000 0.786 94 A N -1.291 121.532 122.820 0.005 0.000 2.119 94 A HA 0.006 4.326 4.320 0.000 0.000 0.216 94 A C 2.009 179.546 177.584 -0.077 0.000 1.152 94 A CA 1.531 53.553 52.037 -0.025 0.000 0.708 94 A CB -0.549 18.444 19.000 -0.011 0.000 0.805 94 A HN 0.140 nan 8.150 nan 0.000 0.460 95 S N -2.776 112.852 115.700 -0.119 0.000 2.631 95 S HA 0.338 4.808 4.470 0.000 0.000 0.246 95 S C -0.414 173.831 174.600 -0.592 0.000 1.068 95 S CA -0.240 57.737 58.200 -0.370 0.000 0.995 95 S CB 0.148 63.056 63.200 -0.487 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.035 121.322 120.300 -0.022 0.000 2.536 96 Y HA 0.522 5.072 4.550 0.000 0.000 0.347 96 Y C 0.712 176.584 175.900 -0.047 0.000 1.000 96 Y CA -1.075 57.019 58.100 -0.010 0.000 1.051 96 Y CB 1.052 39.510 38.460 -0.003 0.000 1.259 96 Y HN -0.148 nan 8.280 nan 0.000 0.468 97 N N -0.028 118.741 118.700 0.116 0.000 2.407 97 N HA 0.085 4.825 4.740 0.000 0.000 0.182 97 N C -1.160 174.149 175.510 -0.336 0.000 1.079 97 N CA 0.523 53.497 53.050 -0.126 0.000 0.882 97 N CB 0.449 38.856 38.487 -0.133 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.029 119.348 120.300 0.128 0.000 2.545 98 Y HA 0.548 5.098 4.550 0.000 0.000 0.348 98 Y C -0.162 175.866 175.900 0.214 0.000 1.002 98 Y CA -1.156 57.039 58.100 0.159 0.000 1.039 98 Y CB 2.208 40.772 38.460 0.174 0.000 1.271 98 Y HN -0.111 nan 8.280 nan 0.000 0.467 99 C N 2.437 121.948 119.300 0.351 0.000 3.239 99 C HA 0.847 5.307 4.460 0.000 0.000 0.329 99 C C -1.797 173.171 174.990 -0.037 0.000 1.252 99 C CA -0.717 58.383 59.018 0.136 0.000 1.323 99 C CB 1.823 29.553 27.740 -0.015 0.000 1.663 99 C HN 1.031 nan 8.230 nan 0.000 0.487 100 R N 2.663 123.122 120.500 -0.069 0.000 2.548 100 R HA 0.661 5.001 4.340 0.000 0.000 0.280 100 R C -1.743 174.611 176.300 0.089 0.000 1.061 100 R CA -0.647 55.375 56.100 -0.130 0.000 0.915 100 R CB 1.681 31.648 30.300 -0.555 0.000 1.210 100 R HN 0.817 nan 8.270 nan 0.000 0.442 101 L N 4.695 125.991 121.223 0.122 0.000 2.319 101 L HA 0.227 4.567 4.340 0.000 0.000 0.280 101 L C 0.146 177.037 176.870 0.035 0.000 1.099 101 L CA 0.390 55.258 54.840 0.046 0.000 0.828 101 L CB 1.606 43.705 42.059 0.066 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.547 122.439 119.914 -0.036 0.000 2.492 102 V HA 0.257 4.377 4.120 0.000 0.000 0.241 102 V C 0.562 176.716 176.094 0.099 0.000 1.041 102 V CA 1.132 63.496 62.300 0.108 0.000 1.057 102 V CB 0.042 31.922 31.823 0.095 0.000 0.711 102 V HN 0.941 nan 8.190 nan 0.000 0.468 103 S N -0.296 115.369 115.700 -0.059 0.000 2.597 103 S HA 0.718 5.188 4.470 0.000 0.000 0.274 103 S C -0.944 173.575 174.600 -0.135 0.000 1.132 103 S CA -0.914 57.241 58.200 -0.075 0.000 0.835 103 S CB 2.625 65.765 63.200 -0.100 0.000 1.092 103 S HN 0.487 nan 8.310 nan 0.000 0.457 104 R N 0.441 120.880 120.500 -0.102 0.000 2.579 104 R HA 0.671 5.011 4.340 0.000 0.000 0.260 104 R C -1.691 174.539 176.300 -0.117 0.000 1.103 104 R CA -0.004 56.028 56.100 -0.114 0.000 0.942 104 R CB 1.709 31.949 30.300 -0.101 0.000 1.251 104 R HN 1.306 nan 8.270 nan 0.000 0.450 105 S N 3.987 119.606 115.700 -0.134 0.000 2.549 105 S HA 0.776 5.246 4.470 0.000 0.000 0.280 105 S C -1.176 173.298 174.600 -0.211 0.000 1.109 105 S CA -0.800 57.283 58.200 -0.194 0.000 0.905 105 S CB 1.749 64.819 63.200 -0.216 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 1.264 122.313 121.223 -0.291 0.000 2.409 106 L HA 0.700 5.040 4.340 0.000 0.000 0.262 106 L C -0.350 176.387 176.870 -0.222 0.000 0.992 106 L CA -0.460 54.208 54.840 -0.287 0.000 0.817 106 L CB 2.743 44.455 42.059 -0.579 0.000 1.350 106 L HN 0.774 nan 8.230 nan 0.000 0.411 107 T N 1.487 115.975 114.554 -0.109 0.000 2.807 107 T HA 0.682 5.032 4.350 0.000 0.000 0.279 107 T C -1.013 173.701 174.700 0.024 0.000 0.993 107 T CA -0.356 61.715 62.100 -0.048 0.000 0.970 107 T CB 1.585 70.434 68.868 -0.032 0.000 0.950 107 T HN 0.223 nan 8.240 nan 0.000 0.441 108 V N 5.977 125.920 119.914 0.049 0.000 2.443 108 V HA 0.708 4.828 4.120 0.000 0.000 0.293 108 V C -0.189 175.930 176.094 0.042 0.000 1.021 108 V CA -0.875 61.471 62.300 0.076 0.000 0.848 108 V CB 1.336 33.250 31.823 0.152 0.000 0.998 108 V HN 0.902 nan 8.190 nan 0.000 0.424 109 R N 2.353 122.858 120.500 0.009 0.000 2.692 109 R HA 0.668 5.009 4.340 0.000 0.000 0.269 109 R C -0.705 175.572 176.300 -0.038 0.000 1.030 109 R CA -0.562 55.536 56.100 -0.003 0.000 0.882 109 R CB 1.850 32.158 30.300 0.013 0.000 1.250 109 R HN 0.605 nan 8.270 nan 0.000 0.465 110 S N 0.360 116.035 115.700 -0.041 0.000 2.592 110 S HA 0.243 4.713 4.470 0.000 0.000 0.271 110 S C 0.602 175.184 174.600 -0.029 0.000 1.326 110 S CA 0.052 58.219 58.200 -0.054 0.000 1.024 110 S CB 1.472 64.642 63.200 -0.049 0.000 0.921 110 S HN 0.840 nan 8.310 nan 0.000 0.527 111 S N 0.966 116.647 115.700 -0.031 0.000 2.727 111 S HA 0.264 4.734 4.470 0.000 0.000 0.249 111 S C 0.421 175.013 174.600 -0.014 0.000 1.079 111 S CA -0.018 58.171 58.200 -0.018 0.000 0.912 111 S CB -0.266 62.923 63.200 -0.018 0.000 0.861 111 S HN 0.787 nan 8.310 nan 0.000 0.484 112 T N 2.897 117.441 114.554 -0.017 0.000 2.926 112 T HA 0.813 5.163 4.350 0.000 0.000 0.289 112 T C -1.321 173.373 174.700 -0.010 0.000 1.054 112 T CA -0.817 61.277 62.100 -0.011 0.000 1.015 112 T CB 1.740 70.602 68.868 -0.010 0.000 1.167 112 T HN 0.534 nan 8.240 nan 0.000 0.526 113 L N -0.685 120.536 121.223 -0.005 0.000 2.482 113 L HA 0.874 5.214 4.340 0.000 0.000 0.263 113 L C -2.776 174.094 176.870 0.000 0.000 0.957 113 L CA -1.570 53.269 54.840 -0.002 0.000 0.836 113 L CB -0.168 41.891 42.059 -0.000 0.000 1.324 113 L HN 0.445 nan 8.230 nan 0.000 0.406 121 N N 0.761 119.473 118.700 0.019 0.000 2.751 121 N HA 0.516 5.256 4.740 0.000 0.000 0.234 121 N C -0.408 175.118 175.510 0.027 0.000 1.403 121 N CA 0.822 53.883 53.050 0.018 0.000 0.747 121 N CB 1.257 39.750 38.487 0.011 0.000 1.326 121 N HN 0.597 nan 8.380 nan 0.000 0.532 122 G N 0.725 109.544 108.800 0.031 0.000 2.712 122 G HA2 0.033 3.993 3.960 0.000 0.000 0.683 122 G HA3 0.033 3.993 3.960 0.000 0.000 0.683 122 G C -0.819 174.123 174.900 0.070 0.000 1.320 122 G CA -0.368 44.759 45.100 0.045 0.000 0.847 122 G HN 0.884 nan 8.290 nan 0.000 0.553 123 T N -1.956 112.656 114.554 0.096 0.000 2.901 123 T HA 0.784 5.134 4.350 0.000 0.000 0.293 123 T C -0.285 174.599 174.700 0.306 0.000 1.084 123 T CA -0.754 61.446 62.100 0.167 0.000 1.008 123 T CB 2.348 71.317 68.868 0.167 0.000 1.170 123 T HN 1.012 nan 8.240 nan 0.000 0.509 124 I N 1.729 122.491 120.570 0.320 0.000 2.498 124 I HA 0.454 4.624 4.170 0.000 0.000 0.290 124 I C -0.972 175.250 176.117 0.174 0.000 1.032 124 I CA -0.945 60.555 61.300 0.334 0.000 1.073 124 I CB 2.147 40.279 38.000 0.220 0.000 1.251 124 I HN 0.539 nan 8.210 nan 0.000 0.426 125 N N 4.230 122.895 118.700 -0.058 0.000 2.361 125 N HA 0.830 5.570 4.740 0.000 0.000 0.302 125 N C -1.134 174.293 175.510 -0.139 0.000 1.074 125 N CA -0.493 52.385 53.050 -0.287 0.000 0.850 125 N CB 2.316 40.314 38.487 -0.815 0.000 1.228 125 N HN 0.696 nan 8.380 nan 0.000 0.491 126 A N 0.678 123.446 122.820 -0.086 0.000 2.515 126 A HA 0.794 5.114 4.320 0.000 0.000 0.298 126 A C -1.168 176.391 177.584 -0.042 0.000 1.059 126 A CA -0.592 51.426 52.037 -0.031 0.000 0.698 126 A CB 1.009 20.026 19.000 0.028 0.000 1.289 126 A HN 0.382 nan 8.150 nan 0.000 0.404 127 V N -1.089 118.813 119.914 -0.020 0.000 3.049 127 V HA 0.806 4.926 4.120 0.000 0.000 0.309 127 V C -0.301 175.813 176.094 0.033 0.000 1.148 127 V CA -0.724 61.573 62.300 -0.005 0.000 0.990 127 V CB 1.610 33.435 31.823 0.003 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.776 118.351 114.554 0.035 0.000 2.758 128 T HA 0.607 4.957 4.350 0.000 0.000 0.285 128 T C -0.934 173.835 174.700 0.116 0.000 0.981 128 T CA 0.082 62.220 62.100 0.063 0.000 0.965 128 T CB 0.762 69.638 68.868 0.013 0.000 0.927 128 T HN 0.659 nan 8.240 nan 0.000 0.448 129 F N 2.734 122.673 119.950 -0.018 0.000 2.436 129 F HA 0.345 4.872 4.527 0.000 0.000 0.340 129 F C 0.818 176.619 175.800 0.002 0.000 1.113 129 F CA -0.951 57.041 58.000 -0.012 0.000 1.022 129 F CB 1.465 40.458 39.000 -0.012 0.000 1.128 129 F HN 0.462 nan 8.300 nan 0.000 0.466 130 Q N 4.600 124.015 119.800 -0.640 0.000 2.404 130 Q HA 0.314 4.654 4.340 0.000 0.000 0.272 130 Q C 0.034 175.613 176.000 -0.702 0.000 0.939 130 Q CA -0.136 55.359 55.803 -0.513 0.000 0.945 130 Q CB 0.028 28.561 28.738 -0.341 0.000 1.195 130 Q HN 0.889 nan 8.270 nan 0.000 0.415 131 G N -0.623 107.647 108.800 -0.884 0.000 2.645 131 G HA2 0.384 4.344 3.960 0.000 0.000 0.292 131 G HA3 0.384 4.344 3.960 0.000 0.000 0.292 131 G C -0.892 174.095 174.900 0.144 0.000 1.415 131 G CA -0.645 44.208 45.100 -0.413 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.631 115.234 115.700 0.275 0.000 2.669 132 S HA 0.372 4.842 4.470 0.000 0.000 0.270 132 S C 1.432 176.248 174.600 0.359 0.000 1.225 132 S CA -0.425 57.962 58.200 0.311 0.000 0.991 132 S CB 1.486 64.830 63.200 0.240 0.000 0.987 132 S HN 0.896 nan 8.310 nan 0.000 0.552 133 L N 1.734 123.120 121.223 0.271 0.000 2.013 133 L HA -0.146 4.194 4.340 0.000 0.000 0.212 133 L C 2.543 179.476 176.870 0.106 0.000 1.073 133 L CA 2.704 57.623 54.840 0.132 0.000 0.753 133 L CB -1.489 40.623 42.059 0.089 0.000 0.890 133 L HN 0.990 nan 8.230 nan 0.000 0.432 134 S N -1.935 113.856 115.700 0.151 0.000 2.507 134 S HA -0.114 4.356 4.470 0.000 0.000 0.235 134 S C 1.602 176.265 174.600 0.104 0.000 0.988 134 S CA 0.942 59.217 58.200 0.125 0.000 0.944 134 S CB -0.609 62.651 63.200 0.099 0.000 0.762 134 S HN 0.677 nan 8.310 nan 0.000 0.526 135 E N 0.439 120.737 120.200 0.164 0.000 2.371 135 E HA 0.213 4.563 4.350 0.000 0.000 0.194 135 E C -0.157 176.475 176.600 0.054 0.000 1.012 135 E CA -0.145 56.379 56.400 0.208 0.000 0.860 135 E CB -0.088 29.849 29.700 0.396 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.986 123.053 121.223 -0.260 0.000 2.513 136 L HA -0.044 4.296 4.340 0.000 0.000 0.272 136 L C 1.775 178.520 176.870 -0.209 0.000 1.187 136 L CA 0.128 54.641 54.840 -0.545 0.000 0.895 136 L CB 0.727 42.428 42.059 -0.596 0.000 1.147 136 L HN 0.170 nan 8.230 nan 0.000 0.483 137 T N -1.875 112.581 114.554 -0.162 0.000 2.985 137 T HA -0.024 4.326 4.350 0.000 0.000 0.266 137 T C 0.434 175.092 174.700 -0.069 0.000 1.076 137 T CA 0.327 62.385 62.100 -0.071 0.000 1.135 137 T CB 0.120 68.968 68.868 -0.033 0.000 0.890 137 T HN 0.512 nan 8.240 nan 0.000 0.480 138 D N 0.779 121.122 120.400 -0.095 0.000 2.736 138 D HA 0.311 4.951 4.640 0.000 0.000 0.243 138 D C 0.251 176.513 176.300 -0.063 0.000 1.304 138 D CA -0.690 53.276 54.000 -0.058 0.000 0.934 138 D CB 2.235 43.010 40.800 -0.042 0.000 1.382 138 D HN 0.097 nan 8.370 nan 0.000 0.571 139 V N 1.406 121.316 119.914 -0.007 0.000 3.276 139 V HA 0.299 4.419 4.120 0.000 0.000 0.319 139 V C 0.773 176.939 176.094 0.120 0.000 1.427 139 V CA -0.029 62.285 62.300 0.023 0.000 1.102 139 V CB -0.487 31.382 31.823 0.077 0.000 1.020 139 V HN 0.453 nan 8.190 nan 0.000 0.456 140 S N -0.685 115.080 115.700 0.108 0.000 2.584 140 S HA 0.243 4.713 4.470 0.000 0.000 0.270 140 S C 0.869 175.547 174.600 0.129 0.000 1.346 140 S CA 0.256 58.541 58.200 0.142 0.000 1.018 140 S CB 0.609 63.858 63.200 0.082 0.000 0.899 140 S HN 0.475 nan 8.310 nan 0.000 0.542 141 Y N 2.787 123.113 120.300 0.044 0.000 2.062 141 Y HA -0.322 4.228 4.550 0.000 0.000 0.276 141 Y C 2.103 178.012 175.900 0.015 0.000 1.189 141 Y CA 2.730 60.843 58.100 0.023 0.000 1.130 141 Y CB -0.529 37.935 38.460 0.007 0.000 0.959 141 Y HN 0.724 nan 8.280 nan 0.000 0.499 142 N N -0.235 118.551 118.700 0.143 0.000 2.216 142 N HA -0.082 4.658 4.740 0.000 0.000 0.183 142 N C 2.027 177.523 175.510 -0.024 0.000 1.017 142 N CA 1.292 54.370 53.050 0.047 0.000 0.861 142 N CB -0.992 37.558 38.487 0.105 0.000 0.986 142 N HN 0.548 nan 8.380 nan 0.000 0.428 143 G N 1.710 110.506 108.800 -0.006 0.000 2.422 143 G HA2 -0.133 3.827 3.960 0.000 0.000 0.218 143 G HA3 -0.133 3.827 3.960 0.000 0.000 0.218 143 G C 1.663 176.532 174.900 -0.052 0.000 1.140 143 G CA 0.159 45.246 45.100 -0.023 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.144 121.321 121.223 -0.077 0.000 2.064 144 L HA -0.198 4.142 4.340 0.000 0.000 0.216 144 L C 2.937 179.758 176.870 -0.081 0.000 1.077 144 L CA 1.173 55.954 54.840 -0.098 0.000 0.766 144 L CB -0.443 41.534 42.059 -0.137 0.000 0.890 144 L HN 0.214 nan 8.230 nan 0.000 0.435 145 M N -0.605 118.941 119.600 -0.089 0.000 2.530 145 M HA -0.114 4.366 4.480 0.000 0.000 0.261 145 M C 1.722 177.999 176.300 -0.039 0.000 1.067 145 M CA 1.283 56.541 55.300 -0.071 0.000 1.071 145 M CB -0.961 31.595 32.600 -0.074 0.000 1.405 145 M HN 0.296 nan 8.290 nan 0.000 0.478 146 S N -1.131 114.553 115.700 -0.028 0.000 2.593 146 S HA 0.415 4.885 4.470 0.000 0.000 0.236 146 S C 1.641 176.251 174.600 0.018 0.000 0.991 146 S CA 0.181 58.376 58.200 -0.007 0.000 0.963 146 S CB 0.025 63.221 63.200 -0.007 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.914 124.748 122.820 0.023 0.000 2.015 147 A HA 0.170 4.490 4.320 0.000 0.000 0.219 147 A C 1.209 178.913 177.584 0.199 0.000 1.163 147 A CA 1.002 53.100 52.037 0.102 0.000 0.646 147 A CB -0.420 18.611 19.000 0.053 0.000 0.806 147 A HN 0.509 nan 8.150 nan 0.000 0.448 148 T N -3.710 110.903 114.554 0.099 0.000 2.906 148 T HA 0.627 4.977 4.350 0.000 0.000 0.295 148 T C 0.668 175.377 174.700 0.016 0.000 1.075 148 T CA -0.137 61.997 62.100 0.056 0.000 1.005 148 T CB 1.875 70.756 68.868 0.022 0.000 1.136 148 T HN 0.301 nan 8.240 nan 0.000 0.498 149 A N 0.758 123.578 122.820 -0.001 0.000 2.132 149 A HA 0.210 4.530 4.320 0.000 0.000 0.213 149 A C 0.720 178.285 177.584 -0.031 0.000 1.154 149 A CA -0.048 51.980 52.037 -0.015 0.000 0.753 149 A CB -0.731 18.261 19.000 -0.014 0.000 0.826 149 A HN 0.847 nan 8.150 nan 0.000 0.469 150 N N 0.474 119.150 118.700 -0.039 0.000 2.427 150 N HA 0.162 4.902 4.740 0.000 0.000 0.269 150 N C 0.665 176.131 175.510 -0.073 0.000 1.235 150 N CA -0.395 52.620 53.050 -0.058 0.000 0.934 150 N CB 0.872 39.319 38.487 -0.067 0.000 1.121 150 N HN 0.255 nan 8.380 nan 0.000 0.480 151 I N 2.827 123.349 120.570 -0.079 0.000 2.454 151 I HA -0.211 3.959 4.170 0.000 0.000 0.254 151 I C 1.065 177.100 176.117 -0.136 0.000 1.156 151 I CA 1.377 62.621 61.300 -0.093 0.000 1.433 151 I CB -0.089 37.860 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.452 119.055 118.700 -0.161 0.000 2.314 152 N HA 0.012 4.752 4.740 0.000 0.000 0.200 152 N C 0.197 175.567 175.510 -0.232 0.000 1.135 152 N CA 0.378 53.283 53.050 -0.241 0.000 0.835 152 N CB 0.047 38.377 38.487 -0.260 0.000 0.989 152 N HN 0.412 nan 8.380 nan 0.000 0.478 153 D N 0.328 120.635 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 0.000 0.000 0.218 153 D C 0.088 176.334 176.300 -0.089 0.000 1.177 153 D CA 0.211 54.141 54.000 -0.117 0.000 0.830 153 D CB 0.878 41.632 40.800 -0.077 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.059 120.277 120.400 -0.107 0.000 2.502 154 K HA 0.659 4.979 4.320 0.000 0.000 0.257 154 K C -1.427 175.114 176.600 -0.098 0.000 0.938 154 K CA -0.892 55.344 56.287 -0.084 0.000 0.819 154 K CB 2.661 35.121 32.500 -0.066 0.000 1.333 154 K HN -0.178 nan 8.250 nan 0.000 0.434 155 I N 0.692 121.216 120.570 -0.077 0.000 2.656 155 I HA 0.530 4.700 4.170 0.000 0.000 0.292 155 I C -1.210 174.877 176.117 -0.049 0.000 1.144 155 I CA -0.095 61.169 61.300 -0.061 0.000 1.038 155 I CB 2.462 40.435 38.000 -0.046 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.216 112.997 108.800 -0.032 0.000 2.530 156 G HA2 0.423 4.383 3.960 0.000 0.000 0.316 156 G HA3 0.423 4.383 3.960 0.000 0.000 0.316 156 G C -0.512 174.403 174.900 0.026 0.000 1.298 156 G CA -0.461 44.623 45.100 -0.028 0.000 0.948 156 G HN 0.677 nan 8.290 nan 0.000 0.486 157 N N -0.209 118.533 118.700 0.070 0.000 2.738 157 N HA -0.168 4.572 4.740 0.000 0.000 0.249 157 N C 0.319 175.895 175.510 0.109 0.000 1.047 157 N CA 0.667 53.801 53.050 0.139 0.000 0.707 157 N CB -1.072 37.491 38.487 0.127 0.000 0.937 157 N HN 0.417 nan 8.380 nan 0.000 0.545 158 V N 1.136 121.114 119.914 0.106 0.000 2.614 158 V HA 0.107 4.227 4.120 0.000 0.000 0.291 158 V C 1.458 177.616 176.094 0.108 0.000 1.049 158 V CA -0.514 61.844 62.300 0.097 0.000 1.038 158 V CB 1.001 32.881 31.823 0.095 0.000 0.980 158 V HN 0.172 nan 8.190 nan 0.000 0.481 159 L N 4.744 126.019 121.223 0.087 0.000 2.490 159 L HA 0.057 4.397 4.340 0.000 0.000 0.274 159 L C 1.459 178.375 176.870 0.077 0.000 1.201 159 L CA -0.036 54.850 54.840 0.077 0.000 0.869 159 L CB 0.595 42.690 42.059 0.059 0.000 1.123 159 L HN 0.500 nan 8.230 nan 0.000 0.484 160 V N 3.418 123.376 119.914 0.074 0.000 2.490 160 V HA -0.193 3.927 4.120 0.000 0.000 0.250 160 V C 2.266 178.381 176.094 0.035 0.000 1.061 160 V CA 2.157 64.492 62.300 0.059 0.000 1.064 160 V CB -0.712 31.139 31.823 0.046 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.690 108.130 108.800 0.033 0.000 2.422 161 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 161 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 161 G C 1.554 176.473 174.900 0.032 0.000 1.146 161 G CA 0.967 46.082 45.100 0.025 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.106 120.332 120.200 0.043 0.000 2.051 162 E HA 0.272 4.622 4.350 0.000 0.000 0.189 162 E C 1.342 177.976 176.600 0.056 0.000 0.979 162 E CA 0.794 57.225 56.400 0.051 0.000 0.803 162 E CB -0.112 29.624 29.700 0.060 0.000 0.761 162 E HN 0.472 nan 8.360 nan 0.000 0.451 163 G N -0.086 108.752 108.800 0.063 0.000 2.710 163 G HA2 -0.187 3.773 3.960 0.000 0.000 0.668 163 G HA3 -0.187 3.773 3.960 0.000 0.000 0.668 163 G C -0.963 173.986 174.900 0.081 0.000 1.320 163 G CA -0.313 44.826 45.100 0.065 0.000 0.860 163 G HN 0.288 nan 8.290 nan 0.000 0.538 164 V N 0.216 120.177 119.914 0.079 0.000 2.769 164 V HA 0.825 4.946 4.120 0.000 0.000 0.312 164 V C 0.333 176.455 176.094 0.045 0.000 1.061 164 V CA -0.103 62.251 62.300 0.089 0.000 0.931 164 V CB 2.365 34.251 31.823 0.104 0.000 1.010 164 V HN 1.168 nan 8.190 nan 0.000 0.433 165 T N 3.667 118.243 114.554 0.036 0.000 2.792 165 T HA 0.523 4.873 4.350 0.000 0.000 0.280 165 T C -0.582 174.084 174.700 -0.057 0.000 0.990 165 T CA -0.310 61.719 62.100 -0.119 0.000 0.960 165 T CB 1.457 70.079 68.868 -0.409 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.747 124.569 119.914 -0.153 0.000 2.383 166 V HA 0.482 4.602 4.120 0.000 0.000 0.275 166 V C -0.356 175.632 176.094 -0.177 0.000 1.036 166 V CA -0.744 61.475 62.300 -0.134 0.000 0.889 166 V CB 1.216 32.876 31.823 -0.272 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.927 126.120 121.223 -0.050 0.000 2.333 167 L HA 0.592 4.932 4.340 0.000 0.000 0.280 167 L C 0.226 177.087 176.870 -0.015 0.000 1.004 167 L CA 0.243 55.056 54.840 -0.046 0.000 0.820 167 L CB 2.045 44.162 42.059 0.097 0.000 1.247 167 L HN 0.631 nan 8.230 nan 0.000 0.416 168 S N 5.989 121.666 115.700 -0.038 0.000 2.448 168 S HA 0.540 5.010 4.470 0.000 0.000 0.279 168 S C -0.415 174.185 174.600 0.001 0.000 1.195 168 S CA -0.526 57.663 58.200 -0.017 0.000 1.051 168 S CB -0.291 62.898 63.200 -0.019 0.000 0.948 168 S HN 0.606 nan 8.310 nan 0.000 0.493 169 L N 6.467 127.688 121.223 -0.003 0.000 2.331 169 L HA 0.569 4.909 4.340 0.000 0.000 0.275 169 L C -1.753 175.091 176.870 -0.044 0.000 1.022 169 L CA -2.357 52.479 54.840 -0.007 0.000 0.812 169 L CB 1.502 43.552 42.059 -0.016 0.000 1.257 169 L HN 0.527 nan 8.230 nan 0.000 0.435 170 P HA 0.087 nan 4.420 nan 0.000 0.271 170 P C -0.579 176.577 177.300 -0.241 0.000 1.218 170 P CA -0.207 62.753 63.100 -0.234 0.000 0.780 170 P CB 0.679 32.044 31.700 -0.558 0.000 0.901 171 T N -2.116 112.286 114.554 -0.252 0.000 3.331 171 T HA 0.492 4.842 4.350 0.000 0.000 0.381 171 T C -0.265 174.269 174.700 -0.276 0.000 1.656 171 T CA -0.680 61.290 62.100 -0.217 0.000 1.453 171 T CB -0.782 67.999 68.868 -0.146 0.000 1.066 171 T HN 0.627 nan 8.240 nan 0.000 0.655 172 S N 1.338 116.833 115.700 -0.341 0.000 2.912 172 S HA -0.103 4.367 4.470 0.000 0.000 0.857 172 S C -0.770 173.573 174.600 -0.428 0.000 0.919 172 S CA -0.675 57.339 58.200 -0.311 0.000 1.424 172 S CB -1.033 62.035 63.200 -0.220 0.000 1.019 172 S HN 0.719 nan 8.310 nan 0.000 0.231 173 Y N 2.106 122.373 120.300 -0.055 0.000 2.645 173 Y HA 0.461 5.011 4.550 0.000 0.000 0.341 173 Y C 1.329 177.191 175.900 -0.064 0.000 1.234 173 Y CA -0.251 57.814 58.100 -0.059 0.000 1.352 173 Y CB 0.427 38.853 38.460 -0.056 0.000 1.556 173 Y HN 0.772 nan 8.280 nan 0.000 0.607 174 D N 0.752 121.246 120.400 0.156 0.000 2.737 174 D HA -0.186 4.454 4.640 0.000 0.000 0.233 174 D C -1.060 175.266 176.300 0.044 0.000 1.155 174 D CA 0.759 54.801 54.000 0.070 0.000 0.667 174 D CB -1.110 39.721 40.800 0.051 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.119 121.126 121.223 0.036 0.000 2.417 175 L HA 0.405 4.745 4.340 0.000 0.000 0.268 175 L C 1.827 178.775 176.870 0.131 0.000 1.158 175 L CA -0.143 54.707 54.840 0.017 0.000 0.819 175 L CB 0.848 42.860 42.059 -0.080 0.000 1.112 175 L HN 0.034 nan 8.230 nan 0.000 0.458 176 G N 0.561 109.506 108.800 0.242 0.000 2.606 176 G HA2 0.173 4.133 3.960 0.000 0.000 0.252 176 G HA3 0.173 4.133 3.960 0.000 0.000 0.252 176 G C -0.874 174.184 174.900 0.264 0.000 1.206 176 G CA -0.336 44.924 45.100 0.267 0.000 0.861 176 G HN 0.341 nan 8.290 nan 0.000 0.561 177 Y N -0.484 119.882 120.300 0.110 0.000 2.511 177 Y HA 0.232 4.782 4.550 0.000 0.000 0.332 177 Y C 0.891 176.850 175.900 0.098 0.000 1.177 177 Y CA 0.215 58.378 58.100 0.105 0.000 1.422 177 Y CB 1.044 39.543 38.460 0.065 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.367 125.321 119.914 0.067 0.000 2.427 178 V HA 0.312 4.433 4.120 0.000 0.000 0.286 178 V C 0.141 176.237 176.094 0.004 0.000 1.034 178 V CA -1.202 61.010 62.300 -0.147 0.000 0.893 178 V CB 1.365 32.867 31.823 -0.534 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.853 124.314 120.500 -0.065 0.000 2.401 179 R HA 0.359 4.699 4.340 0.000 0.000 0.299 179 R C -0.427 175.739 176.300 -0.222 0.000 1.064 179 R CA -0.313 55.598 56.100 -0.315 0.000 1.000 179 R CB 0.288 30.368 30.300 -0.366 0.000 0.973 179 R HN 0.621 nan 8.270 nan 0.000 0.438 180 L N 2.141 123.236 121.223 -0.213 0.000 2.479 180 L HA 0.236 4.576 4.340 0.000 0.000 0.248 180 L C 1.496 178.309 176.870 -0.095 0.000 1.205 180 L CA -0.098 54.674 54.840 -0.113 0.000 0.817 180 L CB 0.549 42.568 42.059 -0.068 0.000 1.162 180 L HN 0.802 nan 8.230 nan 0.000 0.486 181 G N 0.221 109.001 108.800 -0.033 0.000 3.455 181 G HA2 0.040 4.000 3.960 0.000 0.000 0.250 181 G HA3 0.040 4.000 3.960 0.000 0.000 0.250 181 G C -0.058 174.820 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.678 45.100 -0.027 0.000 1.812 181 G HN 0.708 nan 8.290 nan 0.000 0.643 182 D N 1.123 121.483 120.400 -0.067 0.000 2.382 182 D HA 0.138 4.778 4.640 0.000 0.000 0.245 182 D C -2.476 173.795 176.300 -0.049 0.000 1.120 182 D CA -1.561 52.404 54.000 -0.058 0.000 0.890 182 D CB 1.891 42.642 40.800 -0.082 0.000 1.201 182 D HN 0.070 nan 8.370 nan 0.000 0.433 183 P HA 0.154 nan 4.420 nan 0.000 0.268 183 P C -0.452 176.829 177.300 -0.033 0.000 1.205 183 P CA -0.413 62.670 63.100 -0.029 0.000 0.771 183 P CB 0.836 32.523 31.700 -0.022 0.000 0.858 184 I N 5.038 125.591 120.570 -0.028 0.000 2.562 184 I HA 0.407 4.577 4.170 0.000 0.000 0.301 184 I C -2.237 173.868 176.117 -0.020 0.000 1.003 184 I CA -3.103 58.181 61.300 -0.027 0.000 1.127 184 I CB 1.254 39.237 38.000 -0.028 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.440 nan 4.420 nan 0.000 0.267 185 P C -1.550 175.743 177.300 -0.011 0.000 1.209 185 P CA -0.160 62.932 63.100 -0.013 0.000 0.763 185 P CB 0.489 32.182 31.700 -0.012 0.000 0.816 186 A N 3.444 126.258 122.820 -0.010 0.000 2.566 186 A HA 0.692 5.012 4.320 0.000 0.000 0.297 186 A C -0.802 176.778 177.584 -0.007 0.000 1.059 186 A CA -0.692 51.340 52.037 -0.008 0.000 0.691 186 A CB 0.974 19.969 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.539 120.028 120.570 -0.006 0.000 2.646 187 I HA 1.008 5.178 4.170 0.000 0.000 0.299 187 I C 0.116 176.231 176.117 -0.004 0.000 1.036 187 I CA -0.868 60.429 61.300 -0.005 0.000 1.074 187 I CB 2.439 40.436 38.000 -0.004 0.000 1.258 187 I HN 0.975 nan 8.210 nan 0.000 0.430 188 G N 3.809 112.606 108.800 -0.003 0.000 2.673 188 G HA2 0.416 4.377 3.960 0.000 0.000 0.292 188 G HA3 0.416 4.377 3.960 0.000 0.000 0.292 188 G C -0.203 174.696 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.352 120.870 121.223 -0.002 0.000 2.201 189 L HA 0.055 4.395 4.340 0.000 0.000 0.212 189 L C 0.828 177.697 176.870 -0.002 0.000 1.105 189 L CA 0.697 55.535 54.840 -0.002 0.000 0.775 189 L CB 0.081 42.139 42.059 -0.002 0.000 0.913 189 L HN 0.380 nan 8.230 nan 0.000 0.440 190 D N -0.293 120.106 120.400 -0.002 0.000 2.295 190 D HA 0.115 4.755 4.640 0.000 0.000 0.248 190 D C -1.530 174.770 176.300 -0.000 0.000 1.154 190 D CA -2.007 51.992 54.000 -0.001 0.000 0.857 190 D CB 1.755 42.555 40.800 -0.001 0.000 1.117 190 D HN -0.170 nan 8.370 nan 0.000 0.468 191 P HA -0.144 nan 4.420 nan 0.000 0.216 191 P C 0.481 177.783 177.300 0.002 0.000 1.154 191 P CA 1.345 64.445 63.100 0.001 0.000 0.865 191 P CB 0.264 31.965 31.700 0.002 0.000 0.789 192 K N -1.401 119.000 120.400 0.002 0.000 2.504 192 K HA 0.125 4.445 4.320 0.000 0.000 0.199 192 K C 0.758 177.359 176.600 0.003 0.000 1.028 192 K CA -0.245 56.044 56.287 0.004 0.000 1.164 192 K CB -0.299 32.204 32.500 0.004 0.000 0.877 192 K HN 0.195 nan 8.250 nan 0.000 0.508 193 M N 1.952 121.553 119.600 0.001 0.000 2.219 193 M HA 0.085 4.565 4.480 0.000 0.000 0.353 193 M C -1.063 175.237 176.300 -0.000 0.000 1.304 193 M CA 0.348 55.648 55.300 -0.000 0.000 1.115 193 M CB 0.694 33.293 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.652 124.565 119.914 -0.001 0.000 2.623 194 V HA 0.727 4.847 4.120 0.000 0.000 0.304 194 V C -0.698 175.394 176.094 -0.005 0.000 1.054 194 V CA -0.836 61.463 62.300 -0.001 0.000 0.882 194 V CB 1.699 33.523 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.430 126.245 122.820 -0.009 0.000 2.357 195 A HA 0.913 5.233 4.320 0.000 0.000 0.295 195 A C -0.123 177.449 177.584 -0.020 0.000 1.121 195 A CA -0.280 51.749 52.037 -0.014 0.000 0.742 195 A CB 1.499 20.491 19.000 -0.014 0.000 1.181 195 A HN 0.945 nan 8.150 nan 0.000 0.454 196 T N -1.921 112.618 114.554 -0.025 0.000 2.907 196 T HA 0.611 4.961 4.350 0.000 0.000 0.290 196 T C -0.639 174.031 174.700 -0.050 0.000 1.066 196 T CA -0.795 61.284 62.100 -0.035 0.000 1.012 196 T CB 1.466 70.318 68.868 -0.027 0.000 1.184 196 T HN 1.045 nan 8.240 nan 0.000 0.522 197 C N 2.294 121.554 119.300 -0.067 0.000 2.293 197 C HA 0.645 5.105 4.460 0.000 0.000 0.323 197 C C -0.857 174.072 174.990 -0.100 0.000 1.240 197 C CA -0.478 58.489 59.018 -0.085 0.000 1.497 197 C CB -1.034 26.649 27.740 -0.095 0.000 2.171 197 C HN 0.882 nan 8.230 nan 0.000 0.465 198 D N 2.922 123.264 120.400 -0.097 0.000 2.277 198 D HA 0.308 4.948 4.640 0.000 0.000 0.250 198 D C -0.056 176.196 176.300 -0.080 0.000 1.032 198 D CA 0.001 53.953 54.000 -0.080 0.000 0.947 198 D CB 1.574 42.332 40.800 -0.070 0.000 1.159 198 D HN 0.550 nan 8.370 nan 0.000 0.460 199 S N 0.048 115.709 115.700 -0.063 0.000 2.629 199 S HA 0.117 4.587 4.470 0.000 0.000 0.302 199 S C 1.063 175.660 174.600 -0.005 0.000 1.244 199 S CA -0.108 58.048 58.200 -0.073 0.000 1.098 199 S CB 0.140 63.276 63.200 -0.106 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.250 116.949 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 0.000 0.000 0.258 200 S C -0.368 174.277 174.600 0.075 0.000 1.082 200 S CA -0.535 57.695 58.200 0.050 0.000 0.836 200 S CB -0.449 62.749 63.200 -0.005 0.000 0.834 200 S HN 0.572 nan 8.310 nan 0.000 0.457 201 D N 3.453 123.890 120.400 0.062 0.000 2.571 201 D HA 0.241 4.881 4.640 0.000 0.000 0.231 201 D C 0.114 176.485 176.300 0.119 0.000 1.133 201 D CA 0.623 54.679 54.000 0.093 0.000 0.862 201 D CB -0.056 40.813 40.800 0.115 0.000 1.179 201 D HN 0.176 nan 8.370 nan 0.000 0.474 202 R N -0.425 120.138 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 0.000 0.000 0.258 202 R C -2.483 173.861 176.300 0.074 0.000 0.968 202 R CA -0.031 56.125 56.100 0.093 0.000 0.656 202 R CB -1.842 28.544 30.300 0.145 0.000 1.251 202 R HN 0.452 nan 8.270 nan 0.000 0.428 203 P HA 0.088 nan 4.420 nan 0.000 0.272 203 P C -0.278 177.008 177.300 -0.023 0.000 1.230 203 P CA -0.126 62.995 63.100 0.035 0.000 0.788 203 P CB 0.743 32.472 31.700 0.049 0.000 0.949 204 R N 1.164 121.625 120.500 -0.064 0.000 2.407 204 R HA 0.524 4.864 4.340 0.000 0.000 0.303 204 R C -1.372 174.802 176.300 -0.209 0.000 0.981 204 R CA -0.738 55.265 56.100 -0.161 0.000 0.905 204 R CB 0.907 31.095 30.300 -0.188 0.000 1.099 204 R HN 0.260 nan 8.270 nan 0.000 0.459 205 V N 5.433 125.187 119.914 -0.267 0.000 2.487 205 V HA 0.365 4.485 4.120 0.000 0.000 0.298 205 V C -1.214 174.703 176.094 -0.294 0.000 1.028 205 V CA -0.704 61.476 62.300 -0.199 0.000 0.860 205 V CB 1.477 33.241 31.823 -0.100 0.000 0.991 205 V HN 0.690 nan 8.190 nan 0.000 0.427 206 Y N 1.815 122.094 120.300 -0.035 0.000 2.342 206 Y HA 0.601 5.151 4.550 0.000 0.000 0.334 206 Y C 0.756 176.618 175.900 -0.064 0.000 1.067 206 Y CA -0.517 57.558 58.100 -0.040 0.000 1.128 206 Y CB 2.041 40.483 38.460 -0.029 0.000 1.200 206 Y HN 0.496 nan 8.280 nan 0.000 0.464 207 T N 5.162 119.762 114.554 0.075 0.000 2.786 207 T HA 0.578 4.928 4.350 0.000 0.000 0.283 207 T C -0.579 174.075 174.700 -0.077 0.000 0.992 207 T CA -0.520 61.568 62.100 -0.020 0.000 0.954 207 T CB 0.320 69.166 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.884 123.348 120.570 -0.177 0.000 2.411 208 I HA 0.246 4.416 4.170 0.000 0.000 0.284 208 I C 0.246 176.153 176.117 -0.351 0.000 1.012 208 I CA -0.639 60.463 61.300 -0.331 0.000 1.119 208 I CB 1.722 39.366 38.000 -0.594 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.779 120.175 114.554 -0.262 0.000 2.863 209 T HA 0.208 4.558 4.350 0.000 0.000 0.299 209 T C 1.204 175.751 174.700 -0.254 0.000 0.973 209 T CA -0.234 61.739 62.100 -0.211 0.000 0.994 209 T CB 1.080 69.874 68.868 -0.123 0.000 0.961 209 T HN 0.753 nan 8.240 nan 0.000 0.552 210 A N 2.923 125.558 122.820 -0.307 0.000 2.014 210 A HA 0.565 4.885 4.320 0.000 0.000 0.218 210 A C 1.211 178.761 177.584 -0.058 0.000 1.163 210 A CA 0.578 52.464 52.037 -0.253 0.000 0.652 210 A CB 0.111 19.034 19.000 -0.128 0.000 0.808 210 A HN 0.891 nan 8.150 nan 0.000 0.449 211 A N -0.846 121.949 122.820 -0.042 0.000 2.540 211 A HA 0.542 4.862 4.320 0.000 0.000 0.297 211 A C -2.003 175.599 177.584 0.029 0.000 1.056 211 A CA -0.354 51.710 52.037 0.044 0.000 0.700 211 A CB 1.040 20.109 19.000 0.116 0.000 1.280 211 A HN 0.025 nan 8.150 nan 0.000 0.398 212 D N 2.173 122.617 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 0.000 0.000 0.259 212 D C -0.781 175.571 176.300 0.086 0.000 1.235 212 D CA 0.254 54.284 54.000 0.051 0.000 0.924 212 D CB 0.463 41.280 40.800 0.029 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 2.079 122.529 120.400 0.083 0.000 2.686 213 D HA -0.297 4.343 4.640 0.000 0.000 0.235 213 D C -0.496 175.885 176.300 0.136 0.000 1.160 213 D CA 0.578 54.634 54.000 0.093 0.000 0.645 213 D CB -1.795 39.038 40.800 0.055 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.311 121.670 120.300 0.098 0.000 2.537 214 Y HA 0.138 4.688 4.550 0.000 0.000 0.339 214 Y C 0.502 176.491 175.900 0.150 0.000 1.066 214 Y CA -0.099 58.076 58.100 0.125 0.000 1.357 214 Y CB 0.517 39.078 38.460 0.169 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.373 126.781 119.800 -0.652 0.000 2.288 215 Q HA 0.160 4.500 4.340 0.000 0.000 0.258 215 Q C -1.200 174.196 176.000 -1.007 0.000 0.957 215 Q CA -0.262 55.193 55.803 -0.580 0.000 0.919 215 Q CB 1.486 30.016 28.738 -0.347 0.000 1.185 215 Q HN 0.753 nan 8.270 nan 0.000 0.408 216 F N 1.195 120.602 119.950 -0.905 0.000 2.469 216 F HA 0.513 5.040 4.527 0.000 0.000 0.332 216 F C -0.593 174.844 175.800 -0.605 0.000 1.103 216 F CA -0.519 56.929 58.000 -0.921 0.000 0.979 216 F CB 1.789 39.746 39.000 -1.737 0.000 1.137 216 F HN 0.374 nan 8.300 nan 0.000 0.463 217 S N 4.042 118.979 115.700 -1.272 0.000 2.603 217 S HA 0.672 5.142 4.470 0.000 0.000 0.274 217 S C -1.463 172.591 174.600 -0.911 0.000 1.168 217 S CA -0.386 57.293 58.200 -0.868 0.000 0.963 217 S CB 1.234 64.165 63.200 -0.449 0.000 1.078 217 S HN 0.952 nan 8.310 nan 0.000 0.477 218 S N 2.779 118.095 115.700 -0.641 0.000 2.565 218 S HA 0.402 4.872 4.470 0.000 0.000 0.274 218 S C -1.829 172.698 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.437 64.407 63.200 -0.383 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.580 121.349 119.800 -0.051 0.000 2.354 219 Q HA 0.206 4.546 4.340 0.000 0.000 0.244 219 Q C -0.731 175.327 176.000 0.097 0.000 0.969 219 Q CA -0.215 55.605 55.803 0.029 0.000 0.885 219 Q CB 0.510 29.258 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.801 122.118 120.300 0.029 0.000 2.788 220 Y HA -0.074 4.476 4.550 0.000 0.000 0.341 220 Y C -0.490 175.437 175.900 0.045 0.000 1.258 220 Y CA 0.629 58.759 58.100 0.049 0.000 1.503 220 Y CB 0.469 38.954 38.460 0.041 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.912 126.207 119.800 -0.842 0.000 2.268 221 Q HA 0.419 4.760 4.340 0.000 0.000 0.266 221 Q C -2.966 172.462 176.000 -0.954 0.000 1.006 221 Q CA -2.543 52.787 55.803 -0.788 0.000 0.824 221 Q CB 2.053 30.628 28.738 -0.272 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.151 nan 4.420 nan 0.000 0.263 222 P C 0.514 177.732 177.300 -0.137 0.000 1.195 222 P CA 1.335 64.277 63.100 -0.262 0.000 0.762 222 P CB 0.758 32.392 31.700 -0.111 0.000 0.799 223 G N 2.159 110.932 108.800 -0.044 0.000 2.268 223 G HA2 0.007 3.967 3.960 0.000 0.000 0.240 223 G HA3 0.007 3.967 3.960 0.000 0.000 0.240 223 G C 0.465 175.360 174.900 -0.007 0.000 1.010 223 G CA 0.234 45.324 45.100 -0.018 0.000 0.618 223 G HN 1.067 nan 8.290 nan 0.000 0.516 224 G N -2.282 106.499 108.800 -0.032 0.000 2.631 224 G HA2 0.319 4.280 3.960 0.000 0.000 0.504 224 G HA3 0.319 4.280 3.960 0.000 0.000 0.504 224 G C -0.586 174.333 174.900 0.032 0.000 1.306 224 G CA 0.084 45.198 45.100 0.023 0.000 0.897 224 G HN 1.549 nan 8.290 nan 0.000 0.520 225 V N 0.842 120.818 119.914 0.103 0.000 2.407 225 V HA 0.649 4.769 4.120 0.000 0.000 0.291 225 V C 0.420 176.603 176.094 0.149 0.000 1.018 225 V CA -0.223 62.165 62.300 0.146 0.000 0.842 225 V CB 1.576 33.554 31.823 0.258 0.000 0.996 225 V HN 1.000 nan 8.190 nan 0.000 0.426 226 T N 6.873 121.494 114.554 0.112 0.000 2.799 226 T HA 0.726 5.076 4.350 0.000 0.000 0.286 226 T C -0.179 174.597 174.700 0.127 0.000 0.973 226 T CA -0.082 62.076 62.100 0.097 0.000 1.035 226 T CB 0.883 69.789 68.868 0.064 0.000 0.932 226 T HN 0.650 nan 8.240 nan 0.000 0.469 227 I N -0.686 119.966 120.570 0.136 0.000 2.785 227 I HA 0.665 4.835 4.170 0.000 0.000 0.302 227 I C -0.451 175.727 176.117 0.101 0.000 1.069 227 I CA -0.935 60.456 61.300 0.152 0.000 1.045 227 I CB 2.339 40.491 38.000 0.253 0.000 1.236 227 I HN 0.301 nan 8.210 nan 0.000 0.429 228 T N 4.964 119.556 114.554 0.064 0.000 2.832 228 T HA 0.241 4.591 4.350 0.000 0.000 0.313 228 T C 0.733 175.441 174.700 0.014 0.000 1.035 228 T CA -0.272 61.834 62.100 0.010 0.000 0.950 228 T CB 1.056 69.906 68.868 -0.030 0.000 0.984 228 T HN 0.594 nan 8.240 nan 0.000 0.486 229 L N 4.511 125.749 121.223 0.025 0.000 2.046 229 L HA 0.239 4.579 4.340 0.000 0.000 0.208 229 L C 0.214 177.155 176.870 0.118 0.000 1.077 229 L CA 1.757 56.640 54.840 0.072 0.000 0.747 229 L CB -0.276 41.897 42.059 0.190 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.281 116.665 119.950 -0.008 0.000 2.713 230 F HA 0.651 5.178 4.527 0.000 0.000 0.311 230 F C -0.723 175.071 175.800 -0.010 0.000 1.141 230 F CA -0.905 57.078 58.000 -0.027 0.000 0.939 230 F CB 0.736 39.709 39.000 -0.044 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.167 116.987 115.700 0.200 0.000 2.548 231 S HA 0.895 5.365 4.470 0.000 0.000 0.276 231 S C -1.522 173.201 174.600 0.206 0.000 1.129 231 S CA 0.088 58.345 58.200 0.095 0.000 0.931 231 S CB 1.268 64.469 63.200 0.001 0.000 1.068 231 S HN 1.681 nan 8.310 nan 0.000 0.480 232 A N 3.856 126.780 122.820 0.173 0.000 2.488 232 A HA 0.705 5.025 4.320 0.000 0.000 0.298 232 A C -1.192 176.379 177.584 -0.022 0.000 1.044 232 A CA -0.887 51.198 52.037 0.080 0.000 0.693 232 A CB 1.064 20.110 19.000 0.077 0.000 1.272 232 A HN 0.715 nan 8.150 nan 0.000 0.402 233 N N 1.470 120.139 118.700 -0.051 0.000 2.442 233 N HA 0.524 5.264 4.740 0.000 0.000 0.265 233 N C -0.215 175.163 175.510 -0.220 0.000 1.138 233 N CA 0.280 53.284 53.050 -0.077 0.000 0.956 233 N CB 0.498 38.974 38.487 -0.018 0.000 1.067 233 N HN 0.743 nan 8.380 nan 0.000 0.474 234 I N -2.149 118.267 120.570 -0.257 0.000 3.174 234 I HA 0.615 4.785 4.170 0.000 0.000 0.313 234 I C -1.045 175.020 176.117 -0.088 0.000 1.155 234 I CA -0.965 60.039 61.300 -0.494 0.000 0.977 234 I CB 2.664 40.202 38.000 -0.770 0.000 1.248 234 I HN 0.027 nan 8.210 nan 0.000 0.453 235 D N 2.066 122.524 120.400 0.098 0.000 2.646 235 D HA 0.721 5.361 4.640 0.000 0.000 0.245 235 D C -1.163 175.221 176.300 0.141 0.000 1.099 235 D CA -0.227 53.860 54.000 0.145 0.000 0.849 235 D CB 2.397 43.314 40.800 0.194 0.000 1.448 235 D HN 0.903 nan 8.370 nan 0.000 0.489 236 A N 1.976 124.845 122.820 0.081 0.000 2.517 236 A HA 0.528 4.848 4.320 0.000 0.000 0.297 236 A C -0.201 177.386 177.584 0.006 0.000 1.050 236 A CA -0.517 51.554 52.037 0.056 0.000 0.694 236 A CB 0.918 19.950 19.000 0.054 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.517 121.075 120.570 -0.020 0.000 4.124 237 I HA 0.119 4.289 4.170 0.000 0.000 0.311 237 I C 1.266 177.372 176.117 -0.018 0.000 1.259 237 I CA 1.074 62.323 61.300 -0.086 0.000 1.315 237 I CB 0.661 38.513 38.000 -0.247 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.461 113.121 114.554 0.046 0.000 2.762 238 T HA 0.410 4.760 4.350 0.000 0.000 0.272 238 T C 0.320 175.071 174.700 0.085 0.000 0.982 238 T CA -0.490 61.656 62.100 0.076 0.000 1.013 238 T CB 1.156 70.099 68.868 0.125 0.000 1.309 238 T HN 0.125 nan 8.240 nan 0.000 0.572 239 S N 0.621 116.389 115.700 0.113 0.000 2.558 239 S HA 0.371 4.841 4.470 0.000 0.000 0.291 239 S C 0.041 174.753 174.600 0.187 0.000 1.306 239 S CA -0.424 57.870 58.200 0.158 0.000 1.056 239 S CB -0.979 62.333 63.200 0.187 0.000 0.836 239 S HN 1.190 nan 8.310 nan 0.000 0.504 240 L N -0.526 120.770 121.223 0.121 0.000 2.491 240 L HA 0.950 5.290 4.340 0.000 0.000 0.254 240 L C -0.656 176.222 176.870 0.014 0.000 1.048 240 L CA -1.006 53.805 54.840 -0.049 0.000 0.855 240 L CB 1.857 43.902 42.059 -0.023 0.000 1.466 240 L HN 0.856 nan 8.230 nan 0.000 0.409 241 S N -0.213 115.452 115.700 -0.059 0.000 2.569 241 S HA 0.888 5.358 4.470 0.000 0.000 0.280 241 S C -1.083 173.544 174.600 0.044 0.000 1.111 241 S CA -0.686 57.544 58.200 0.050 0.000 0.887 241 S CB 1.980 65.255 63.200 0.126 0.000 1.095 241 S HN 0.663 nan 8.310 nan 0.000 0.476 242 V N 1.493 121.461 119.914 0.089 0.000 2.487 242 V HA 0.844 4.964 4.120 0.000 0.000 0.298 242 V C 0.693 176.871 176.094 0.140 0.000 1.028 242 V CA 0.007 62.373 62.300 0.109 0.000 0.860 242 V CB 1.205 33.126 31.823 0.163 0.000 0.991 242 V HN 1.249 nan 8.190 nan 0.000 0.427 243 G N 1.790 110.645 108.800 0.093 0.000 2.714 243 G HA2 0.908 4.868 3.960 0.000 0.000 0.292 243 G HA3 0.908 4.868 3.960 0.000 0.000 0.292 243 G C -0.144 174.790 174.900 0.057 0.000 1.308 243 G CA -0.221 44.943 45.100 0.107 0.000 0.964 243 G HN 1.491 nan 8.290 nan 0.000 0.484 244 G N -1.146 107.705 108.800 0.084 0.000 2.422 244 G HA2 0.349 4.309 3.960 0.000 0.000 0.607 244 G HA3 0.349 4.309 3.960 0.000 0.000 0.607 244 G C -0.977 174.009 174.900 0.143 0.000 1.270 244 G CA 0.067 45.186 45.100 0.032 0.000 0.992 244 G HN 0.938 nan 8.290 nan 0.000 0.499 245 E N -1.160 119.091 120.200 0.084 0.000 2.354 245 E HA 0.549 4.899 4.350 0.000 0.000 0.283 245 E C -0.960 175.696 176.600 0.095 0.000 0.938 245 E CA -0.765 55.746 56.400 0.185 0.000 0.777 245 E CB 1.567 31.334 29.700 0.111 0.000 1.222 245 E HN 0.604 nan 8.360 nan 0.000 0.423 246 L N 2.957 124.290 121.223 0.183 0.000 2.325 246 L HA 0.634 4.974 4.340 0.000 0.000 0.278 246 L C -0.663 176.151 176.870 -0.093 0.000 1.023 246 L CA -1.112 53.711 54.840 -0.028 0.000 0.811 246 L CB 1.787 43.826 42.059 -0.034 0.000 1.249 246 L HN 0.297 nan 8.230 nan 0.000 0.431 247 V N 2.595 122.351 119.914 -0.263 0.000 2.448 247 V HA 0.444 4.564 4.120 0.000 0.000 0.295 247 V C -0.688 175.205 176.094 -0.334 0.000 1.025 247 V CA -0.440 61.768 62.300 -0.153 0.000 0.859 247 V CB 1.618 33.405 31.823 -0.060 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 4.339 124.275 119.950 -0.022 0.000 2.469 248 F HA 0.715 5.242 4.527 0.000 0.000 0.332 248 F C 0.558 176.377 175.800 0.031 0.000 1.103 248 F CA -0.685 57.299 58.000 -0.026 0.000 0.979 248 F CB 1.685 40.571 39.000 -0.190 0.000 1.137 248 F HN 0.253 nan 8.300 nan 0.000 0.463 249 R N 1.146 121.803 120.500 0.261 0.000 2.803 249 R HA 0.758 5.098 4.340 0.000 0.000 0.276 249 R C -0.830 175.610 176.300 0.232 0.000 0.978 249 R CA -0.807 55.406 56.100 0.188 0.000 0.939 249 R CB 2.155 32.533 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.030 113.612 114.554 0.148 0.000 2.885 250 T HA 0.230 4.580 4.350 0.000 0.000 0.322 250 T C 0.002 174.718 174.700 0.027 0.000 1.387 250 T CA -0.404 61.776 62.100 0.132 0.000 1.041 250 T CB 1.431 70.405 68.868 0.177 0.000 1.287 250 T HN 0.453 nan 8.240 nan 0.000 0.491 251 S N 0.939 116.643 115.700 0.008 0.000 2.511 251 S HA 0.243 4.713 4.470 0.000 0.000 0.214 251 S C 0.407 174.924 174.600 -0.138 0.000 0.997 251 S CA -0.124 58.041 58.200 -0.058 0.000 0.908 251 S CB 0.362 63.553 63.200 -0.015 0.000 0.803 251 S HN 0.592 nan 8.310 nan 0.000 0.504 252 V N 3.796 123.662 119.914 -0.080 0.000 2.439 252 V HA 0.296 4.416 4.120 0.000 0.000 0.282 252 V C 0.027 176.056 176.094 -0.109 0.000 1.039 252 V CA -0.826 61.442 62.300 -0.053 0.000 0.913 252 V CB 0.645 32.497 31.823 0.049 0.000 0.983 252 V HN 0.413 nan 8.190 nan 0.000 0.460 253 H N 2.825 121.920 119.070 0.042 0.000 2.562 253 H HA 0.347 4.903 4.556 0.000 0.000 0.352 253 H C 1.262 176.604 175.328 0.024 0.000 1.125 253 H CA 0.824 56.890 56.048 0.030 0.000 1.379 253 H CB 1.391 31.162 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.662 111.546 108.800 0.140 0.000 2.176 254 G HA2 -0.239 3.721 3.960 0.000 0.000 0.252 254 G HA3 -0.239 3.721 3.960 0.000 0.000 0.252 254 G C 0.075 175.010 174.900 0.058 0.000 1.024 254 G CA -0.160 44.987 45.100 0.079 0.000 0.755 254 G HN 0.462 nan 8.290 nan 0.000 0.507 255 L N -0.039 121.221 121.223 0.062 0.000 2.326 255 L HA 0.578 4.918 4.340 0.000 0.000 0.278 255 L C 0.465 177.342 176.870 0.012 0.000 1.092 255 L CA -0.820 54.060 54.840 0.067 0.000 0.810 255 L CB 1.574 43.703 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.959 124.876 119.914 0.005 0.000 2.487 256 V HA 0.430 4.550 4.120 0.000 0.000 0.298 256 V C 0.014 176.050 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.787 62.300 -0.047 0.000 0.860 256 V CB 2.129 33.942 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.954 125.059 121.223 -0.197 0.000 2.317 257 L HA 0.808 5.148 4.340 0.000 0.000 0.281 257 L C 0.587 177.321 176.870 -0.226 0.000 1.024 257 L CA -0.320 54.343 54.840 -0.295 0.000 0.810 257 L CB 1.921 43.624 42.059 -0.595 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.751 110.442 108.800 -0.181 0.000 2.452 258 G HA2 0.769 4.729 3.960 0.000 0.000 0.324 258 G HA3 0.769 4.729 3.960 0.000 0.000 0.324 258 G C -1.387 173.429 174.900 -0.141 0.000 1.214 258 G CA -0.389 44.628 45.100 -0.139 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.155 123.893 122.820 -0.136 0.000 2.488 259 A HA 0.867 5.187 4.320 0.000 0.000 0.298 259 A C -0.455 177.053 177.584 -0.127 0.000 1.044 259 A CA -0.572 51.402 52.037 -0.105 0.000 0.693 259 A CB 1.859 20.799 19.000 -0.100 0.000 1.272 259 A HN 0.788 nan 8.150 nan 0.000 0.402 260 T N 2.424 116.911 114.554 -0.112 0.000 2.886 260 T HA 0.554 4.904 4.350 0.000 0.000 0.292 260 T C -0.584 173.952 174.700 -0.272 0.000 1.012 260 T CA -0.236 61.712 62.100 -0.253 0.000 0.982 260 T CB 1.129 69.769 68.868 -0.380 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.000 123.395 120.570 -0.292 0.000 2.359 261 I HA 0.404 4.574 4.170 0.000 0.000 0.294 261 I C -1.073 174.836 176.117 -0.347 0.000 0.987 261 I CA -0.792 60.400 61.300 -0.180 0.000 1.225 261 I CB 1.087 39.099 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.240 126.517 120.300 -0.040 0.000 2.364 262 Y HA 0.494 5.044 4.550 0.000 0.000 0.340 262 Y C -0.297 175.583 175.900 -0.034 0.000 0.975 262 Y CA -0.727 57.351 58.100 -0.037 0.000 1.089 262 Y CB 1.556 39.985 38.460 -0.051 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.267 126.559 121.223 0.116 0.000 2.287 263 L HA 0.464 4.804 4.340 0.000 0.000 0.287 263 L C -0.823 176.083 176.870 0.061 0.000 1.022 263 L CA -0.590 54.290 54.840 0.066 0.000 0.814 263 L CB 0.726 42.809 42.059 0.039 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.391 122.984 120.570 0.039 0.000 2.392 264 I HA 0.406 4.576 4.170 0.000 0.000 0.295 264 I C 0.900 177.028 176.117 0.019 0.000 0.985 264 I CA -0.225 61.087 61.300 0.020 0.000 1.221 264 I CB 1.426 39.420 38.000 -0.008 0.000 1.366 264 I HN 0.554 nan 8.210 nan 0.000 0.467 265 G N 3.281 112.093 108.800 0.020 0.000 2.562 265 G HA2 0.181 4.141 3.960 0.000 0.000 0.275 265 G HA3 0.181 4.141 3.960 0.000 0.000 0.275 265 G C 0.449 175.396 174.900 0.079 0.000 1.196 265 G CA -0.343 44.788 45.100 0.051 0.000 0.908 265 G HN 0.592 nan 8.290 nan 0.000 0.524 266 F N 0.689 120.621 119.950 -0.031 0.000 2.192 266 F HA -0.166 4.361 4.527 0.000 0.000 0.301 266 F C 2.160 177.874 175.800 -0.143 0.000 1.079 266 F CA 2.040 59.950 58.000 -0.151 0.000 1.303 266 F CB 0.240 39.028 39.000 -0.354 0.000 1.024 266 F HN 0.437 nan 8.300 nan 0.000 0.494 267 D N -1.040 119.352 120.400 -0.014 0.000 2.325 267 D HA 0.154 4.795 4.640 0.000 0.000 0.225 267 D C 1.780 178.052 176.300 -0.046 0.000 1.096 267 D CA 0.675 54.662 54.000 -0.021 0.000 0.844 267 D CB -0.591 40.361 40.800 0.254 0.000 0.925 267 D HN 0.400 nan 8.370 nan 0.000 0.513 268 G N -0.607 108.144 108.800 -0.082 0.000 2.184 268 G HA2 -0.280 3.681 3.960 0.000 0.000 0.264 268 G HA3 -0.280 3.681 3.960 0.000 0.000 0.264 268 G C 0.473 175.351 174.900 -0.037 0.000 0.975 268 G CA 0.493 45.550 45.100 -0.072 0.000 0.642 268 G HN 0.511 nan 8.290 nan 0.000 0.536 269 T N 1.679 116.233 114.554 -0.000 0.000 2.910 269 T HA 0.505 4.855 4.350 0.000 0.000 0.293 269 T C 0.711 175.417 174.700 0.010 0.000 1.015 269 T CA 0.624 62.731 62.100 0.013 0.000 1.094 269 T CB 0.840 69.739 68.868 0.051 0.000 0.968 269 T HN 0.196 nan 8.240 nan 0.000 0.521 270 T N 3.608 118.171 114.554 0.014 0.000 2.769 270 T HA 0.149 4.499 4.350 0.000 0.000 0.293 270 T C 1.462 176.188 174.700 0.045 0.000 0.931 270 T CA -0.471 61.658 62.100 0.047 0.000 1.139 270 T CB 0.696 69.616 68.868 0.087 0.000 0.881 270 T HN 0.363 nan 8.240 nan 0.000 0.532 271 V N 4.118 124.053 119.914 0.036 0.000 2.492 271 V HA 0.270 4.390 4.120 0.000 0.000 0.241 271 V C 0.709 176.817 176.094 0.024 0.000 1.041 271 V CA 0.913 63.219 62.300 0.010 0.000 1.057 271 V CB -0.026 31.787 31.823 -0.017 0.000 0.711 271 V HN 0.723 nan 8.190 nan 0.000 0.468 272 I N -0.368 120.226 120.570 0.040 0.000 2.619 272 I HA 0.432 4.602 4.170 0.000 0.000 0.292 272 I C -0.583 175.551 176.117 0.027 0.000 1.100 272 I CA -0.062 61.253 61.300 0.026 0.000 1.043 272 I CB 2.439 40.447 38.000 0.013 0.000 1.239 272 I HN 0.048 nan 8.210 nan 0.000 0.420 273 T N 5.693 120.237 114.554 -0.018 0.000 2.840 273 T HA 0.578 4.928 4.350 0.000 0.000 0.287 273 T C -1.001 173.597 174.700 -0.169 0.000 0.991 273 T CA -0.668 61.349 62.100 -0.139 0.000 0.964 273 T CB 0.706 69.536 68.868 -0.064 0.000 0.954 273 T HN 0.418 nan 8.240 nan 0.000 0.438 274 R N 3.317 123.675 120.500 -0.237 0.000 2.483 274 R HA 0.598 4.938 4.340 0.000 0.000 0.303 274 R C -0.281 175.894 176.300 -0.208 0.000 0.987 274 R CA -0.688 55.312 56.100 -0.168 0.000 0.881 274 R CB 1.536 31.777 30.300 -0.098 0.000 1.177 274 R HN 0.849 nan 8.270 nan 0.000 0.451 275 A N 2.785 125.500 122.820 -0.176 0.000 2.491 275 A HA 0.188 4.508 4.320 0.000 0.000 0.261 275 A C 1.084 178.562 177.584 -0.177 0.000 1.101 275 A CA -0.181 51.753 52.037 -0.172 0.000 0.772 275 A CB 0.366 19.289 19.000 -0.129 0.000 1.043 275 A HN 0.525 nan 8.150 nan 0.000 0.501 276 V N 1.992 121.772 119.914 -0.223 0.000 2.949 276 V HA 0.351 4.471 4.120 0.000 0.000 0.245 276 V C 1.108 177.016 176.094 -0.310 0.000 1.086 276 V CA 1.697 63.801 62.300 -0.326 0.000 1.097 276 V CB -0.132 31.369 31.823 -0.537 0.000 0.762 276 V HN 1.190 nan 8.190 nan 0.000 0.470 277 A N -0.262 122.411 122.820 -0.244 0.000 2.485 277 A HA 0.819 5.139 4.320 0.000 0.000 0.285 277 A C -0.710 176.777 177.584 -0.161 0.000 1.045 277 A CA 0.208 52.127 52.037 -0.198 0.000 0.792 277 A CB 1.051 19.921 19.000 -0.217 0.000 1.307 277 A HN 0.410 nan 8.150 nan 0.000 0.406 278 A N 2.271 125.016 122.820 -0.126 0.000 2.337 278 A HA 0.788 5.108 4.320 0.000 0.000 0.331 278 A C 0.346 177.876 177.584 -0.091 0.000 1.137 278 A CA -0.117 51.859 52.037 -0.101 0.000 0.807 278 A CB 0.310 19.262 19.000 -0.080 0.000 1.250 278 A HN 2.297 nan 8.150 nan 0.000 0.468 279 N N 1.007 119.659 118.700 -0.079 0.000 2.558 279 N HA -0.225 4.515 4.740 0.000 0.000 0.302 279 N C -0.903 174.560 175.510 -0.079 0.000 1.322 279 N CA 1.033 54.043 53.050 -0.067 0.000 0.687 279 N CB -0.378 38.083 38.487 -0.044 0.000 0.992 279 N HN 0.775 nan 8.380 nan 0.000 0.524 280 N N 2.520 121.160 118.700 -0.100 0.000 2.621 280 N HA 0.310 5.051 4.740 0.000 0.000 0.271 280 N C -0.375 175.067 175.510 -0.114 0.000 1.181 280 N CA 0.146 53.128 53.050 -0.114 0.000 0.805 280 N CB 1.019 39.410 38.487 -0.160 0.000 1.351 280 N HN 0.580 nan 8.380 nan 0.000 0.539 281 G N 2.364 111.122 108.800 -0.070 0.000 2.398 281 G HA2 0.367 4.327 3.960 0.000 0.000 0.246 281 G HA3 0.367 4.327 3.960 0.000 0.000 0.246 281 G C -0.025 174.843 174.900 -0.054 0.000 1.289 281 G CA -0.120 44.951 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.908 123.105 121.223 -0.044 0.000 2.295 282 L HA 0.348 4.688 4.340 0.000 0.000 0.285 282 L C 0.432 177.307 176.870 0.008 0.000 1.035 282 L CA -0.700 54.122 54.840 -0.029 0.000 0.806 282 L CB 1.736 43.771 42.059 -0.039 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.687 115.251 114.554 0.018 0.000 2.882 283 T HA 0.221 4.571 4.350 0.000 0.000 0.287 283 T C 0.325 175.033 174.700 0.012 0.000 0.992 283 T CA -0.459 61.659 62.100 0.030 0.000 1.076 283 T CB 1.264 70.154 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.271 116.814 114.554 -0.018 0.000 2.919 284 T HA 0.420 4.770 4.350 0.000 0.000 0.302 284 T C 1.440 176.137 174.700 -0.005 0.000 1.031 284 T CA 0.689 62.744 62.100 -0.075 0.000 1.127 284 T CB 0.447 69.169 68.868 -0.242 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.835 111.636 108.800 0.001 0.000 2.203 285 G HA2 -0.232 3.728 3.960 0.000 0.000 0.263 285 G HA3 -0.232 3.728 3.960 0.000 0.000 0.263 285 G C 0.200 175.118 174.900 0.030 0.000 1.012 285 G CA 0.383 45.495 45.100 0.021 0.000 0.749 285 G HN 0.914 nan 8.290 nan 0.000 0.512 286 T N -0.228 114.347 114.554 0.036 0.000 2.883 286 T HA 0.488 4.839 4.350 0.000 0.000 0.301 286 T C -0.889 173.841 174.700 0.050 0.000 1.158 286 T CA -0.847 61.276 62.100 0.039 0.000 1.007 286 T CB 1.876 70.765 68.868 0.035 0.000 1.186 286 T HN 0.072 nan 8.240 nan 0.000 0.499 287 D N 2.212 122.640 120.400 0.046 0.000 2.425 287 D HA 0.174 4.814 4.640 0.000 0.000 0.247 287 D C -0.315 176.023 176.300 0.063 0.000 1.147 287 D CA 0.308 54.340 54.000 0.054 0.000 0.879 287 D CB 0.349 41.173 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.693 120.451 118.700 0.095 0.000 2.476 288 N HA 0.281 5.021 4.740 0.000 0.000 0.257 288 N C -0.598 174.996 175.510 0.140 0.000 0.970 288 N CA -0.478 52.631 53.050 0.099 0.000 0.938 288 N CB 1.282 39.824 38.487 0.093 0.000 1.144 288 N HN 0.162 nan 8.380 nan 0.000 0.500 289 L N 1.726 123.004 121.223 0.091 0.000 2.326 289 L HA 0.459 4.799 4.340 0.000 0.000 0.278 289 L C 0.104 177.037 176.870 0.104 0.000 1.092 289 L CA -0.170 54.727 54.840 0.095 0.000 0.810 289 L CB 0.901 42.995 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.608 125.299 119.600 0.153 0.000 1.987 290 M HA 0.397 4.877 4.480 0.000 0.000 0.298 290 M C -2.617 173.756 176.300 0.122 0.000 0.892 290 M CA -1.609 53.758 55.300 0.111 0.000 0.885 290 M CB 1.600 34.338 32.600 0.231 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.324 nan 4.420 nan 0.000 0.276 291 P C -1.355 175.954 177.300 0.014 0.000 1.244 291 P CA -0.040 63.126 63.100 0.110 0.000 0.801 291 P CB 0.506 32.234 31.700 0.047 0.000 1.006 292 F N 1.329 121.294 119.950 0.024 0.000 2.427 292 F HA 0.371 4.898 4.527 0.000 0.000 0.348 292 F C 0.777 176.590 175.800 0.021 0.000 1.125 292 F CA -0.141 57.874 58.000 0.024 0.000 0.989 292 F CB 0.975 39.998 39.000 0.037 0.000 1.165 292 F HN 0.128 nan 8.300 nan 0.000 0.442 293 N N 5.339 124.100 118.700 0.101 0.000 2.679 293 N HA 0.247 4.987 4.740 0.000 0.000 0.302 293 N C -1.121 174.426 175.510 0.062 0.000 1.941 293 N CA -0.053 53.042 53.050 0.075 0.000 0.875 293 N CB 1.123 39.630 38.487 0.033 0.000 1.278 293 N HN 0.435 nan 8.380 nan 0.000 0.490 294 L N 0.919 122.200 121.223 0.096 0.000 2.289 294 L HA 0.543 4.883 4.340 0.000 0.000 0.285 294 L C -0.038 176.880 176.870 0.080 0.000 1.049 294 L CA -0.784 54.101 54.840 0.074 0.000 0.804 294 L CB 1.740 43.855 42.059 0.093 0.000 1.195 294 L HN -0.205 nan 8.230 nan 0.000 0.428 295 V N 4.816 124.769 119.914 0.065 0.000 2.444 295 V HA 0.394 4.514 4.120 0.000 0.000 0.294 295 V C -0.261 175.872 176.094 0.064 0.000 1.022 295 V CA -0.377 61.972 62.300 0.081 0.000 0.850 295 V CB 2.125 33.993 31.823 0.075 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.523 129.138 120.570 0.076 0.000 2.328 296 I HA 0.422 4.592 4.170 0.000 0.000 0.287 296 I C -2.126 174.031 176.117 0.067 0.000 1.012 296 I CA -1.874 59.460 61.300 0.057 0.000 1.195 296 I CB 1.951 39.979 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.138 nan 4.420 nan 0.000 0.274 297 P C 0.646 177.971 177.300 0.042 0.000 1.231 297 P CA -0.226 62.901 63.100 0.045 0.000 0.790 297 P CB 0.804 32.520 31.700 0.028 0.000 0.951 298 T N 1.071 115.652 114.554 0.044 0.000 2.653 298 T HA -0.200 4.150 4.350 0.000 0.000 0.268 298 T C 1.608 176.323 174.700 0.025 0.000 1.035 298 T CA 2.122 64.245 62.100 0.039 0.000 1.154 298 T CB -0.916 67.978 68.868 0.042 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.364 120.077 118.700 0.023 0.000 2.443 299 N HA -0.152 4.588 4.740 0.000 0.000 0.184 299 N C 1.391 176.911 175.510 0.017 0.000 1.037 299 N CA 1.000 54.062 53.050 0.020 0.000 0.896 299 N CB -0.211 38.287 38.487 0.019 0.000 0.959 299 N HN 0.511 nan 8.380 nan 0.000 0.442 300 E N 0.194 120.403 120.200 0.016 0.000 2.371 300 E HA 0.156 4.506 4.350 0.000 0.000 0.194 300 E C 0.172 176.774 176.600 0.003 0.000 1.012 300 E CA 0.082 56.489 56.400 0.011 0.000 0.860 300 E CB 0.211 29.919 29.700 0.013 0.000 0.811 300 E HN 0.439 nan 8.360 nan 0.000 0.502 301 I N 2.378 122.947 120.570 -0.001 0.000 2.260 301 I HA -0.025 4.145 4.170 0.000 0.000 0.297 301 I C 1.409 177.499 176.117 -0.045 0.000 1.143 301 I CA -0.055 61.233 61.300 -0.021 0.000 1.271 301 I CB 0.693 38.685 38.000 -0.013 0.000 1.461 301 I HN 0.036 nan 8.210 nan 0.000 0.530 302 T N 1.610 116.124 114.554 -0.067 0.000 3.055 302 T HA -0.009 4.341 4.350 0.000 0.000 0.265 302 T C 0.526 175.069 174.700 -0.262 0.000 1.111 302 T CA 0.310 62.361 62.100 -0.081 0.000 1.118 302 T CB -0.077 68.769 68.868 -0.036 0.000 0.909 302 T HN 0.694 nan 8.240 nan 0.000 0.501 303 Q N -0.588 118.995 119.800 -0.361 0.000 2.522 303 Q HA 0.549 4.889 4.340 0.000 0.000 0.285 303 Q C -3.481 172.392 176.000 -0.211 0.000 0.982 303 Q CA -2.563 52.897 55.803 -0.571 0.000 0.805 303 Q CB 0.810 28.731 28.738 -1.363 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.020 nan 4.420 nan 0.000 0.261 304 P C -0.590 176.740 177.300 0.050 0.000 1.173 304 P CA 0.219 63.344 63.100 0.041 0.000 0.760 304 P CB 0.249 32.064 31.700 0.191 0.000 0.783 305 I N 3.147 123.739 120.570 0.036 0.000 2.441 305 I HA 0.074 4.244 4.170 0.000 0.000 0.287 305 I C 1.531 177.688 176.117 0.065 0.000 1.049 305 I CA 0.677 62.001 61.300 0.040 0.000 1.381 305 I CB 0.407 38.422 38.000 0.025 0.000 1.409 305 I HN 0.350 nan 8.210 nan 0.000 0.523 306 T N 3.286 117.878 114.554 0.063 0.000 2.955 306 T HA 0.129 4.480 4.350 0.000 0.000 0.251 306 T C 0.442 175.151 174.700 0.015 0.000 1.002 306 T CA 0.288 62.432 62.100 0.072 0.000 0.970 306 T CB 0.359 69.306 68.868 0.132 0.000 1.091 306 T HN 0.805 nan 8.240 nan 0.000 0.495 307 S N 0.106 115.803 115.700 -0.004 0.000 2.588 307 S HA 0.720 5.190 4.470 0.000 0.000 0.269 307 S C -1.489 173.103 174.600 -0.012 0.000 1.157 307 S CA -0.943 57.242 58.200 -0.025 0.000 0.824 307 S CB 1.843 65.030 63.200 -0.021 0.000 1.126 307 S HN 0.272 nan 8.310 nan 0.000 0.464 308 I N 1.223 121.791 120.570 -0.003 0.000 2.545 308 I HA 0.711 4.881 4.170 0.000 0.000 0.292 308 I C -1.330 174.775 176.117 -0.019 0.000 1.040 308 I CA -0.700 60.613 61.300 0.022 0.000 1.068 308 I CB 1.741 39.775 38.000 0.057 0.000 1.251 308 I HN 1.016 nan 8.210 nan 0.000 0.424 309 K N 6.358 126.710 120.400 -0.080 0.000 2.477 309 K HA 0.658 4.979 4.320 0.000 0.000 0.255 309 K C -2.025 174.399 176.600 -0.293 0.000 0.952 309 K CA -0.967 55.148 56.287 -0.285 0.000 0.826 309 K CB 2.440 34.844 32.500 -0.160 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.107 121.974 121.223 -0.594 0.000 2.349 310 L HA 0.436 4.776 4.340 0.000 0.000 0.278 310 L C -1.183 175.623 176.870 -0.107 0.000 0.996 310 L CA -0.001 54.661 54.840 -0.296 0.000 0.825 310 L CB 1.761 43.604 42.059 -0.361 0.000 1.243 310 L HN 0.777 nan 8.230 nan 0.000 0.412 311 E N 5.148 125.388 120.200 0.067 0.000 2.214 311 E HA 0.573 4.923 4.350 0.000 0.000 0.274 311 E C -1.137 175.508 176.600 0.076 0.000 0.977 311 E CA -0.613 55.848 56.400 0.101 0.000 0.827 311 E CB 2.327 32.152 29.700 0.208 0.000 1.130 311 E HN 0.542 nan 8.360 nan 0.000 0.394 312 I N 2.261 122.877 120.570 0.077 0.000 2.466 312 I HA 0.260 4.430 4.170 0.000 0.000 0.289 312 I C -0.787 175.343 176.117 0.021 0.000 1.026 312 I CA -1.005 60.313 61.300 0.029 0.000 1.078 312 I CB 1.905 39.935 38.000 0.049 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.211 124.112 119.914 -0.022 0.000 2.427 313 V HA 0.492 4.612 4.120 0.000 0.000 0.286 313 V C 0.024 176.104 176.094 -0.024 0.000 1.034 313 V CA -0.402 61.897 62.300 -0.001 0.000 0.893 313 V CB 1.486 33.311 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.680 118.259 114.554 0.042 0.000 2.809 314 T HA 0.656 5.006 4.350 0.000 0.000 0.284 314 T C -0.136 174.652 174.700 0.147 0.000 0.992 314 T CA -0.519 61.640 62.100 0.098 0.000 0.957 314 T CB 1.392 70.380 68.868 0.199 0.000 0.942 314 T HN 0.931 nan 8.240 nan 0.000 0.439 315 S N 2.622 118.401 115.700 0.131 0.000 2.627 315 S HA 0.783 5.253 4.470 0.000 0.000 0.283 315 S C -1.214 173.494 174.600 0.180 0.000 1.127 315 S CA -1.129 57.180 58.200 0.181 0.000 0.863 315 S CB 2.344 65.625 63.200 0.135 0.000 1.121 315 S HN 0.558 nan 8.310 nan 0.000 0.479 316 K N 0.168 120.707 120.400 0.231 0.000 2.316 316 K HA 0.566 4.887 4.320 0.000 0.000 0.251 316 K C 0.661 177.284 176.600 0.037 0.000 0.934 316 K CA -0.661 55.683 56.287 0.095 0.000 0.802 316 K CB 1.836 34.338 32.500 0.004 0.000 1.171 316 K HN 0.642 nan 8.250 nan 0.000 0.426 317 S N 1.239 116.944 115.700 0.007 0.000 2.354 317 S HA -0.166 4.304 4.470 0.000 0.000 0.219 317 S C 1.525 176.096 174.600 -0.049 0.000 1.035 317 S CA 1.617 59.814 58.200 -0.004 0.000 1.037 317 S CB -0.364 62.835 63.200 -0.001 0.000 0.956 317 S HN 0.890 nan 8.310 nan 0.000 0.428 318 G N 0.536 109.277 108.800 -0.097 0.000 2.707 318 G HA2 0.376 4.336 3.960 0.000 0.000 0.204 318 G HA3 0.376 4.336 3.960 0.000 0.000 0.204 318 G C 0.579 175.301 174.900 -0.296 0.000 1.435 318 G CA 0.427 45.442 45.100 -0.141 0.000 0.890 318 G HN 1.301 nan 8.290 nan 0.000 0.552 319 G N -2.387 106.112 108.800 -0.500 0.000 2.788 319 G HA2 0.293 4.253 3.960 0.000 0.000 0.686 319 G HA3 0.293 4.253 3.960 0.000 0.000 0.686 319 G C -0.756 173.850 174.900 -0.490 0.000 1.147 319 G CA 0.168 44.591 45.100 -1.129 0.000 0.755 319 G HN 0.718 nan 8.290 nan 0.000 0.634 320 Q N -0.488 119.141 119.800 -0.285 0.000 2.870 320 Q HA 0.795 5.135 4.340 0.000 0.000 0.366 320 Q C 1.500 177.621 176.000 0.202 0.000 0.738 320 Q CA 0.052 55.871 55.803 0.028 0.000 0.870 320 Q CB 0.614 29.343 28.738 -0.016 0.000 1.237 320 Q HN 1.477 nan 8.270 nan 0.000 0.497 321 A N 0.395 123.286 122.820 0.117 0.000 1.889 321 A HA 0.232 4.552 4.320 0.000 0.000 0.209 321 A C 0.855 178.507 177.584 0.114 0.000 1.315 321 A CA 1.457 53.558 52.037 0.108 0.000 0.611 321 A CB -1.264 17.771 19.000 0.059 0.000 0.950 321 A HN 0.508 nan 8.150 nan 0.000 0.477 322 G N -0.958 107.883 108.800 0.069 0.000 2.350 322 G HA2 0.456 4.416 3.960 0.000 0.000 0.306 322 G HA3 0.456 4.416 3.960 0.000 0.000 0.306 322 G C -0.573 174.359 174.900 0.055 0.000 1.094 322 G CA -0.048 45.087 45.100 0.057 0.000 0.953 322 G HN 0.323 nan 8.290 nan 0.000 0.420 323 D N 0.633 121.080 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 0.000 0.000 0.242 323 D C 0.347 176.679 176.300 0.052 0.000 1.106 323 D CA 0.184 54.219 54.000 0.057 0.000 0.854 323 D CB 0.352 41.183 40.800 0.051 0.000 1.192 323 D HN 0.344 nan 8.370 nan 0.000 0.503 324 Q N 0.778 120.609 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 0.000 0.000 0.262 324 Q C -0.339 175.682 176.000 0.034 0.000 1.328 324 Q CA 0.783 56.592 55.803 0.011 0.000 0.794 324 Q CB -1.417 27.310 28.738 -0.019 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.036 120.674 119.600 0.064 0.000 2.157 325 M HA 0.538 5.018 4.480 0.000 0.000 0.354 325 M C 0.277 176.629 176.300 0.088 0.000 1.170 325 M CA -0.433 54.953 55.300 0.144 0.000 1.060 325 M CB 1.796 34.566 32.600 0.283 0.000 1.615 325 M HN 0.485 nan 8.290 nan 0.000 0.460 326 S N 3.055 118.824 115.700 0.115 0.000 2.541 326 S HA 0.865 5.335 4.470 0.000 0.000 0.280 326 S C -1.456 173.277 174.600 0.223 0.000 1.112 326 S CA -0.837 57.388 58.200 0.042 0.000 0.925 326 S CB 1.736 64.910 63.200 -0.043 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.199 121.684 121.300 0.308 0.000 3.118 327 W HA 0.721 5.382 4.660 0.000 0.000 0.328 327 W C -1.218 175.433 176.519 0.220 0.000 1.239 327 W CA -0.876 56.615 57.345 0.244 0.000 1.176 327 W CB 1.256 30.877 29.460 0.269 0.000 1.433 327 W HN 0.706 nan 8.180 nan 0.000 0.562 328 S N 1.059 117.116 115.700 0.595 0.000 2.475 328 S HA 0.806 5.276 4.470 0.000 0.000 0.298 328 S C -0.719 174.157 174.600 0.461 0.000 1.119 328 S CA -0.225 58.223 58.200 0.413 0.000 1.085 328 S CB 1.001 64.320 63.200 0.199 0.000 1.028 328 S HN 0.830 nan 8.310 nan 0.000 0.489 329 A N 4.469 127.508 122.820 0.364 0.000 2.414 329 A HA 0.871 5.191 4.320 0.000 0.000 0.306 329 A C -0.602 176.967 177.584 -0.026 0.000 1.054 329 A CA -0.782 51.234 52.037 -0.034 0.000 0.724 329 A CB 1.441 20.394 19.000 -0.079 0.000 1.267 329 A HN 0.745 nan 8.150 nan 0.000 0.418 330 R N 0.767 121.163 120.500 -0.172 0.000 2.651 330 R HA 0.682 5.022 4.340 0.000 0.000 0.278 330 R C -0.584 175.641 176.300 -0.125 0.000 1.010 330 R CA 0.336 56.385 56.100 -0.086 0.000 0.896 330 R CB 2.193 32.465 30.300 -0.046 0.000 1.211 330 R HN 2.069 nan 8.270 nan 0.000 0.456 331 G N 0.915 109.661 108.800 -0.089 0.000 2.333 331 G HA2 0.095 4.055 3.960 0.000 0.000 0.330 331 G HA3 0.095 4.055 3.960 0.000 0.000 0.330 331 G C -1.718 173.112 174.900 -0.117 0.000 1.465 331 G CA -0.642 44.403 45.100 -0.092 0.000 0.996 331 G HN 0.566 nan 8.290 nan 0.000 0.655 332 S N -0.536 115.091 115.700 -0.121 0.000 2.566 332 S HA 0.883 5.353 4.470 0.000 0.000 0.298 332 S C -0.280 174.204 174.600 -0.194 0.000 1.083 332 S CA -0.959 57.141 58.200 -0.167 0.000 0.978 332 S CB 2.090 65.211 63.200 -0.131 0.000 1.073 332 S HN 0.768 nan 8.310 nan 0.000 0.491 333 L N 0.908 121.978 121.223 -0.256 0.000 2.319 333 L HA 0.886 5.226 4.340 0.000 0.000 0.267 333 L C -0.269 176.511 176.870 -0.150 0.000 1.011 333 L CA -1.133 53.550 54.840 -0.262 0.000 0.818 333 L CB 1.792 43.612 42.059 -0.399 0.000 1.316 333 L HN 0.846 nan 8.230 nan 0.000 0.432 334 A N 1.658 124.426 122.820 -0.086 0.000 2.330 334 A HA 0.718 5.038 4.320 0.000 0.000 0.313 334 A C -0.894 176.696 177.584 0.009 0.000 1.124 334 A CA -0.470 51.551 52.037 -0.027 0.000 0.774 334 A CB 1.488 20.478 19.000 -0.017 0.000 1.198 334 A HN 0.368 nan 8.150 nan 0.000 0.465 335 V N 2.847 122.797 119.914 0.060 0.000 2.328 335 V HA 0.401 4.521 4.120 0.000 0.000 0.278 335 V C 0.113 176.256 176.094 0.082 0.000 1.021 335 V CA -0.220 62.135 62.300 0.093 0.000 0.838 335 V CB 1.167 33.080 31.823 0.150 0.000 0.999 335 V HN 0.870 nan 8.190 nan 0.000 0.447 336 T N 7.024 121.566 114.554 -0.019 0.000 2.743 336 T HA 0.483 4.833 4.350 0.000 0.000 0.292 336 T C -0.020 174.534 174.700 -0.243 0.000 0.972 336 T CA -0.150 61.878 62.100 -0.120 0.000 0.967 336 T CB 0.659 69.437 68.868 -0.150 0.000 0.926 336 T HN 0.616 nan 8.240 nan 0.000 0.459 337 I N 1.862 122.343 120.570 -0.148 0.000 2.321 337 I HA 0.406 4.576 4.170 0.000 0.000 0.291 337 I C -0.248 175.784 176.117 -0.141 0.000 0.998 337 I CA -0.796 60.414 61.300 -0.150 0.000 1.227 337 I CB 0.686 38.703 38.000 0.027 0.000 1.368 337 I HN 0.546 nan 8.210 nan 0.000 0.466 338 H N 5.345 124.441 119.070 0.043 0.000 2.886 338 H HA 0.136 4.692 4.556 0.000 0.000 0.329 338 H C 1.474 176.814 175.328 0.020 0.000 1.044 338 H CA 1.045 57.109 56.048 0.027 0.000 1.456 338 H CB 0.884 30.658 29.762 0.020 0.000 1.464 338 H HN 1.026 nan 8.280 nan 0.000 0.573 339 G N 2.676 111.556 108.800 0.134 0.000 2.180 339 G HA2 -0.356 3.604 3.960 0.000 0.000 0.263 339 G HA3 -0.356 3.604 3.960 0.000 0.000 0.263 339 G C 1.553 176.504 174.900 0.085 0.000 0.989 339 G CA 0.841 45.989 45.100 0.080 0.000 0.692 339 G HN 0.867 nan 8.290 nan 0.000 0.526 340 G N 0.130 108.969 108.800 0.065 0.000 2.450 340 G HA2 -0.192 3.769 3.960 0.000 0.000 0.220 340 G HA3 -0.192 3.769 3.960 0.000 0.000 0.220 340 G C 1.331 176.263 174.900 0.053 0.000 1.130 340 G CA 1.305 46.438 45.100 0.055 0.000 0.760 340 G HN 0.519 nan 8.290 nan 0.000 0.557 341 N N -0.860 117.864 118.700 0.041 0.000 2.336 341 N HA 0.061 4.801 4.740 0.000 0.000 0.189 341 N C -0.273 175.265 175.510 0.046 0.000 1.113 341 N CA -0.474 52.587 53.050 0.018 0.000 0.858 341 N CB -0.117 38.358 38.487 -0.020 0.000 0.970 341 N HN 0.429 nan 8.380 nan 0.000 0.471 342 Y N 2.691 122.973 120.300 -0.029 0.000 2.605 342 Y HA 0.141 4.691 4.550 0.000 0.000 0.336 342 Y C -2.103 173.773 175.900 -0.041 0.000 1.111 342 Y CA -2.010 56.068 58.100 -0.037 0.000 1.422 342 Y CB 0.496 38.927 38.460 -0.050 0.000 1.193 342 Y HN 0.005 nan 8.280 nan 0.000 0.526 343 P HA 0.079 nan 4.420 nan 0.000 0.260 343 P C 0.524 177.749 177.300 -0.126 0.000 1.185 343 P CA 1.946 64.899 63.100 -0.245 0.000 0.763 343 P CB 0.489 31.992 31.700 -0.328 0.000 0.776 344 G N 3.269 112.086 108.800 0.028 0.000 2.313 344 G HA2 -0.297 3.663 3.960 0.000 0.000 0.215 344 G HA3 -0.297 3.663 3.960 0.000 0.000 0.215 344 G C 1.210 176.227 174.900 0.195 0.000 1.023 344 G CA 0.331 45.508 45.100 0.129 0.000 0.626 344 G HN 0.610 nan 8.290 nan 0.000 0.503 345 A N -0.203 122.716 122.820 0.164 0.000 1.969 345 A HA 0.535 4.856 4.320 0.000 0.000 0.218 345 A C 2.187 179.892 177.584 0.202 0.000 1.169 345 A CA 2.046 54.141 52.037 0.096 0.000 0.635 345 A CB -0.198 18.838 19.000 0.060 0.000 0.810 345 A HN 0.979 nan 8.150 nan 0.000 0.445 346 L N -3.787 117.538 121.223 0.170 0.000 3.316 346 L HA 0.202 4.542 4.340 0.000 0.000 0.300 346 L C 2.056 179.054 176.870 0.215 0.000 1.128 346 L CA 0.196 55.135 54.840 0.164 0.000 1.111 346 L CB 0.064 42.201 42.059 0.130 0.000 1.687 346 L HN 0.294 nan 8.230 nan 0.000 0.594 347 R N 1.744 122.339 120.500 0.159 0.000 2.072 347 R HA 0.076 4.416 4.340 0.000 0.000 0.221 347 R C -1.768 174.597 176.300 0.109 0.000 1.166 347 R CA 0.707 56.865 56.100 0.097 0.000 0.917 347 R CB -0.912 29.400 30.300 0.021 0.000 0.815 347 R HN 0.020 nan 8.270 nan 0.000 0.444 348 P HA 0.123 nan 4.420 nan 0.000 0.275 348 P C -1.303 176.110 177.300 0.188 0.000 1.227 348 P CA 0.143 63.291 63.100 0.080 0.000 0.781 348 P CB 1.507 33.233 31.700 0.043 0.000 0.906 349 V N 3.309 123.339 119.914 0.193 0.000 2.588 349 V HA 0.389 4.509 4.120 0.000 0.000 0.304 349 V C 0.080 176.249 176.094 0.125 0.000 1.042 349 V CA -0.287 62.120 62.300 0.178 0.000 0.877 349 V CB 2.242 34.190 31.823 0.208 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.039 120.640 114.554 0.078 0.000 2.770 350 T HA 0.630 4.980 4.350 0.000 0.000 0.283 350 T C -0.619 174.113 174.700 0.054 0.000 0.988 350 T CA -0.280 61.876 62.100 0.093 0.000 0.957 350 T CB 0.919 69.865 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.099 125.327 121.223 0.008 0.000 2.295 351 L HA 0.557 4.897 4.340 0.000 0.000 0.285 351 L C -0.358 176.519 176.870 0.012 0.000 1.035 351 L CA -0.426 54.380 54.840 -0.056 0.000 0.806 351 L CB 1.695 43.688 42.059 -0.110 0.000 1.214 351 L HN 0.384 nan 8.230 nan 0.000 0.426 352 V N 3.412 123.343 119.914 0.027 0.000 2.326 352 V HA 0.751 4.871 4.120 0.000 0.000 0.281 352 V C 0.083 176.256 176.094 0.131 0.000 1.015 352 V CA -0.670 61.694 62.300 0.108 0.000 0.823 352 V CB 1.266 33.216 31.823 0.211 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.566 128.460 122.820 0.123 0.000 2.317 353 A HA 0.915 5.236 4.320 0.000 0.000 0.327 353 A C -0.899 176.918 177.584 0.388 0.000 1.178 353 A CA -0.483 51.661 52.037 0.179 0.000 0.817 353 A CB 0.848 19.928 19.000 0.133 0.000 1.189 353 A HN 0.978 nan 8.150 nan 0.000 0.489 354 Y N -0.017 120.478 120.300 0.325 0.000 2.524 354 Y HA 0.795 5.345 4.550 0.000 0.000 0.344 354 Y C -0.307 175.660 175.900 0.112 0.000 1.012 354 Y CA -0.945 57.315 58.100 0.267 0.000 1.068 354 Y CB 1.360 39.914 38.460 0.157 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.789 121.003 120.200 0.024 0.000 2.430 355 E HA 0.565 4.915 4.350 0.000 0.000 0.279 355 E C -0.555 175.997 176.600 -0.080 0.000 1.003 355 E CA -1.288 55.007 56.400 -0.175 0.000 0.801 355 E CB 1.518 30.879 29.700 -0.565 0.000 1.313 355 E HN 0.580 nan 8.360 nan 0.000 0.459 356 R N -0.902 119.563 120.500 -0.059 0.000 3.989 356 R HA -0.103 4.237 4.340 0.000 0.000 0.377 356 R C -0.436 175.878 176.300 0.024 0.000 1.158 356 R CA 0.858 56.941 56.100 -0.029 0.000 1.035 356 R CB -2.823 27.442 30.300 -0.058 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.413 121.376 119.914 0.081 0.000 2.614 357 V HA 0.433 4.553 4.120 0.000 0.000 0.291 357 V C 1.454 177.582 176.094 0.057 0.000 1.049 357 V CA -0.037 62.309 62.300 0.077 0.000 1.038 357 V CB 1.525 33.413 31.823 0.107 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.883 126.722 122.820 0.031 0.000 2.511 358 A HA 0.321 4.641 4.320 0.000 0.000 0.242 358 A C 0.769 178.371 177.584 0.031 0.000 1.069 358 A CA -0.002 52.050 52.037 0.024 0.000 0.763 358 A CB -0.305 18.703 19.000 0.013 0.000 1.001 358 A HN 0.866 nan 8.150 nan 0.000 0.498 359 T N 1.874 116.447 114.554 0.031 0.000 2.908 359 T HA 0.401 4.751 4.350 0.000 0.000 0.301 359 T C 1.545 176.261 174.700 0.026 0.000 1.019 359 T CA 1.615 63.736 62.100 0.036 0.000 1.152 359 T CB 0.410 69.294 68.868 0.027 0.000 0.966 359 T HN 2.025 nan 8.240 nan 0.000 0.540 360 G N 2.711 111.529 108.800 0.030 0.000 2.195 360 G HA2 -0.276 3.684 3.960 0.000 0.000 0.246 360 G HA3 -0.276 3.684 3.960 0.000 0.000 0.246 360 G C 0.379 175.284 174.900 0.009 0.000 0.984 360 G CA 0.112 45.223 45.100 0.019 0.000 0.633 360 G HN 1.133 nan 8.290 nan 0.000 0.525 361 S N -0.691 115.011 115.700 0.004 0.000 2.632 361 S HA 0.718 5.189 4.470 0.000 0.000 0.267 361 S C 0.147 174.726 174.600 -0.034 0.000 1.276 361 S CA -0.262 57.930 58.200 -0.014 0.000 0.998 361 S CB 2.486 65.676 63.200 -0.017 0.000 0.953 361 S HN 0.986 nan 8.310 nan 0.000 0.547 362 V N 1.898 121.784 119.914 -0.045 0.000 2.394 362 V HA 0.353 4.473 4.120 0.000 0.000 0.282 362 V C -0.263 175.768 176.094 -0.105 0.000 1.031 362 V CA -0.757 61.506 62.300 -0.063 0.000 0.881 362 V CB 1.302 33.102 31.823 -0.039 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.605 124.417 119.914 -0.169 0.000 2.364 363 V HA 0.312 4.432 4.120 0.000 0.000 0.272 363 V C 0.474 176.485 176.094 -0.138 0.000 1.036 363 V CA -0.087 62.080 62.300 -0.221 0.000 0.880 363 V CB 1.653 33.210 31.823 -0.445 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.281 119.789 114.554 -0.075 0.000 2.767 364 T HA 0.533 4.883 4.350 0.000 0.000 0.288 364 T C -0.235 174.475 174.700 0.015 0.000 0.963 364 T CA -0.273 61.814 62.100 -0.022 0.000 1.019 364 T CB 1.418 70.278 68.868 -0.014 0.000 0.923 364 T HN 0.333 nan 8.240 nan 0.000 0.468 365 V N 2.648 122.602 119.914 0.066 0.000 2.459 365 V HA 0.836 4.956 4.120 0.000 0.000 0.295 365 V C -0.092 176.069 176.094 0.113 0.000 1.029 365 V CA -0.817 61.561 62.300 0.129 0.000 0.874 365 V CB 1.416 33.377 31.823 0.230 0.000 0.985 365 V HN 1.070 nan 8.190 nan 0.000 0.438 366 A N 3.397 126.261 122.820 0.073 0.000 2.427 366 A HA 0.971 5.291 4.320 0.000 0.000 0.298 366 A C -0.172 177.422 177.584 0.016 0.000 1.036 366 A CA -0.010 52.052 52.037 0.041 0.000 0.701 366 A CB 1.892 20.901 19.000 0.016 0.000 1.250 366 A HN 1.213 nan 8.150 nan 0.000 0.412 367 G N -0.318 108.495 108.800 0.023 0.000 2.695 367 G HA2 0.637 4.597 3.960 0.000 0.000 0.290 367 G HA3 0.637 4.597 3.960 0.000 0.000 0.290 367 G C -1.783 173.121 174.900 0.008 0.000 1.410 367 G CA -0.557 44.536 45.100 -0.012 0.000 0.844 367 G HN 1.130 nan 8.290 nan 0.000 0.478 368 V N 0.278 120.183 119.914 -0.015 0.000 2.638 368 V HA 0.687 4.807 4.120 0.000 0.000 0.306 368 V C -0.258 175.817 176.094 -0.030 0.000 1.052 368 V CA -0.710 61.592 62.300 0.002 0.000 0.885 368 V CB 1.907 33.730 31.823 -0.000 0.000 0.999 368 V HN 0.758 nan 8.190 nan 0.000 0.424 369 S N 4.108 119.799 115.700 -0.014 0.000 2.482 369 S HA 0.582 5.052 4.470 0.000 0.000 0.303 369 S C -0.642 173.765 174.600 -0.321 0.000 1.091 369 S CA -0.811 57.282 58.200 -0.178 0.000 1.057 369 S CB 1.186 64.353 63.200 -0.056 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.706 120.089 118.700 -0.528 0.000 2.321 370 N HA 0.610 5.350 4.740 0.000 0.000 0.299 370 N C -1.499 173.647 175.510 -0.606 0.000 1.048 370 N CA -0.228 52.602 53.050 -0.365 0.000 0.836 370 N CB 1.401 39.806 38.487 -0.137 0.000 1.269 370 N HN 0.405 nan 8.380 nan 0.000 0.486 371 F N 0.016 119.985 119.950 0.032 0.000 2.576 371 F HA 0.333 4.860 4.527 0.000 0.000 0.313 371 F C 0.490 176.297 175.800 0.011 0.000 1.078 371 F CA -0.875 57.126 58.000 0.002 0.000 0.921 371 F CB 1.905 40.879 39.000 -0.044 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.961 123.265 120.200 0.174 0.000 2.227 372 E HA 0.607 4.957 4.350 0.000 0.000 0.282 372 E C -1.155 175.577 176.600 0.221 0.000 1.015 372 E CA -0.432 56.052 56.400 0.141 0.000 0.823 372 E CB 1.570 31.169 29.700 -0.169 0.000 1.081 372 E HN 0.413 nan 8.360 nan 0.000 0.396 373 L N 3.691 125.070 121.223 0.259 0.000 2.388 373 L HA 0.555 4.895 4.340 0.000 0.000 0.264 373 L C -0.658 176.386 176.870 0.290 0.000 0.998 373 L CA -0.821 54.110 54.840 0.152 0.000 0.817 373 L CB 1.861 43.684 42.059 -0.393 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.428 124.200 120.570 0.336 0.000 2.362 374 I HA 0.354 4.524 4.170 0.000 0.000 0.289 374 I C -2.214 174.139 176.117 0.392 0.000 0.994 374 I CA -2.009 59.465 61.300 0.290 0.000 1.158 374 I CB 1.970 40.084 38.000 0.191 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.059 nan 4.420 nan 0.000 0.272 375 P C -0.982 176.355 177.300 0.061 0.000 1.223 375 P CA -0.345 62.851 63.100 0.160 0.000 0.784 375 P CB 0.280 32.014 31.700 0.057 0.000 0.923 376 N N 2.434 121.102 118.700 -0.054 0.000 2.354 376 N HA 0.078 4.818 4.740 0.000 0.000 0.246 376 N C -1.974 173.517 175.510 -0.032 0.000 1.285 376 N CA -1.609 51.419 53.050 -0.036 0.000 0.925 376 N CB -1.365 37.076 38.487 -0.076 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.161 nan 4.420 nan 0.000 0.216 377 P C 0.980 178.263 177.300 -0.027 0.000 1.150 377 P CA 1.507 64.599 63.100 -0.014 0.000 0.843 377 P CB 0.199 31.894 31.700 -0.010 0.000 0.787 378 E N -0.951 119.224 120.200 -0.041 0.000 2.072 378 E HA -0.103 4.247 4.350 0.000 0.000 0.190 378 E C 1.763 178.332 176.600 -0.053 0.000 0.982 378 E CA 0.741 57.115 56.400 -0.043 0.000 0.803 378 E CB -1.040 28.632 29.700 -0.047 0.000 0.755 378 E HN 0.015 nan 8.360 nan 0.000 0.453 379 L N -0.021 121.154 121.223 -0.081 0.000 2.156 379 L HA 0.113 4.453 4.340 0.000 0.000 0.208 379 L C 2.035 178.874 176.870 -0.051 0.000 1.095 379 L CA 1.483 56.267 54.840 -0.093 0.000 0.770 379 L CB -0.670 41.274 42.059 -0.191 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.879 121.920 122.820 -0.035 0.000 2.131 380 A HA -0.228 4.092 4.320 0.000 0.000 0.220 380 A C 2.179 179.756 177.584 -0.011 0.000 1.158 380 A CA 1.540 53.571 52.037 -0.010 0.000 0.665 380 A CB -0.524 18.475 19.000 -0.002 0.000 0.795 380 A HN 0.476 nan 8.150 nan 0.000 0.460 381 K N -0.801 119.589 120.400 -0.016 0.000 2.366 381 K HA 0.016 4.336 4.320 0.000 0.000 0.198 381 K C 0.377 176.971 176.600 -0.010 0.000 1.044 381 K CA 0.848 57.127 56.287 -0.013 0.000 0.973 381 K CB 0.056 32.547 32.500 -0.015 0.000 0.767 381 K HN 0.390 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 -1.009 174.504 175.510 0.005 0.000 1.305 382 N CA -0.049 52.998 53.050 -0.004 0.000 0.890 382 N CB 1.076 39.558 38.487 -0.007 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.511 123.739 121.223 0.008 0.000 2.318 383 L HA 0.440 4.781 4.340 0.000 0.000 0.277 383 L C -0.311 176.572 176.870 0.021 0.000 1.008 383 L CA -0.563 54.294 54.840 0.029 0.000 0.846 383 L CB 1.222 43.311 42.059 0.051 0.000 1.220 383 L HN -0.276 nan 8.230 nan 0.000 0.423 384 V N 4.111 124.033 119.914 0.013 0.000 2.585 384 V HA 0.244 4.364 4.120 0.000 0.000 0.296 384 V C 0.844 176.928 176.094 -0.017 0.000 1.035 384 V CA 0.008 62.305 62.300 -0.006 0.000 1.084 384 V CB 1.253 33.072 31.823 -0.008 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.488 117.012 114.554 -0.050 0.000 2.912 385 T HA 0.811 5.161 4.350 0.000 0.000 0.288 385 T C -0.757 173.842 174.700 -0.168 0.000 1.030 385 T CA -0.903 61.139 62.100 -0.097 0.000 1.020 385 T CB 2.291 71.104 68.868 -0.091 0.000 1.056 385 T HN 0.678 nan 8.240 nan 0.000 0.480 386 E N 0.153 120.204 120.200 -0.248 0.000 2.408 386 E HA 0.359 4.710 4.350 0.000 0.000 0.275 386 E C -1.279 175.114 176.600 -0.346 0.000 0.935 386 E CA -0.978 55.268 56.400 -0.255 0.000 0.775 386 E CB 1.840 31.459 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.505 120.763 120.300 -0.070 0.000 2.480 387 Y HA 0.230 4.780 4.550 0.000 0.000 0.338 387 Y C 1.430 177.326 175.900 -0.007 0.000 1.220 387 Y CA 0.188 58.288 58.100 -0.002 0.000 1.430 387 Y CB 0.526 39.001 38.460 0.025 0.000 1.311 387 Y HN 0.606 nan 8.280 nan 0.000 0.575 388 G N 2.837 111.822 108.800 0.308 0.000 2.559 388 G HA2 0.062 4.022 3.960 0.000 0.000 0.235 388 G HA3 0.062 4.022 3.960 0.000 0.000 0.235 388 G C -0.212 174.805 174.900 0.196 0.000 1.266 388 G CA -0.885 44.370 45.100 0.258 0.000 0.847 388 G HN 0.437 nan 8.290 nan 0.000 0.583 389 R N -0.129 120.462 120.500 0.152 0.000 2.538 389 R HA -0.011 4.329 4.340 0.000 0.000 0.282 389 R C -0.324 176.086 176.300 0.182 0.000 1.009 389 R CA -0.437 55.747 56.100 0.141 0.000 1.063 389 R CB 0.008 30.364 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.862 124.831 119.950 0.033 0.000 2.421 390 F HA 0.168 4.695 4.527 0.000 0.000 0.358 390 F C -0.346 175.461 175.800 0.013 0.000 1.115 390 F CA -1.399 56.612 58.000 0.017 0.000 1.160 390 F CB 0.460 39.464 39.000 0.007 0.000 1.123 390 F HN 0.483 nan 8.300 nan 0.000 0.508 391 D N 8.078 128.172 120.400 -0.510 0.000 2.686 391 D HA 0.323 4.963 4.640 0.000 0.000 0.249 391 D C -3.291 172.593 176.300 -0.694 0.000 1.260 391 D CA -2.037 51.548 54.000 -0.691 0.000 0.910 391 D CB 1.740 42.360 40.800 -0.299 0.000 1.323 391 D HN 0.216 nan 8.370 nan 0.000 0.561 392 P HA 0.285 nan 4.420 nan 0.000 0.274 392 P C 1.012 178.202 177.300 -0.184 0.000 1.231 392 P CA 0.446 63.306 63.100 -0.401 0.000 0.790 392 P CB 1.083 32.634 31.700 -0.249 0.000 0.951 393 G N 1.395 110.157 108.800 -0.063 0.000 2.205 393 G HA2 -0.356 3.604 3.960 0.000 0.000 0.261 393 G HA3 -0.356 3.604 3.960 0.000 0.000 0.261 393 G C 1.123 176.046 174.900 0.038 0.000 0.980 393 G CA 0.713 45.813 45.100 0.000 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.491 122.321 122.820 -0.013 0.000 1.877 394 A HA 0.204 4.524 4.320 0.000 0.000 0.216 394 A C 2.272 179.921 177.584 0.108 0.000 1.186 394 A CA 2.827 54.894 52.037 0.049 0.000 0.620 394 A CB -0.368 18.627 19.000 -0.009 0.000 0.822 394 A HN 1.150 nan 8.150 nan 0.000 0.443 395 M N 0.843 120.457 119.600 0.023 0.000 2.132 395 M HA -0.079 4.402 4.480 0.000 0.000 0.263 395 M C 1.541 177.891 176.300 0.083 0.000 1.065 395 M CA 1.728 57.035 55.300 0.012 0.000 1.122 395 M CB -0.953 31.622 32.600 -0.042 0.000 1.365 395 M HN 0.512 nan 8.290 nan 0.000 0.411 396 N N -1.318 117.436 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 0.000 0.000 0.186 396 N C 1.732 177.320 175.510 0.130 0.000 1.019 396 N CA 1.608 54.716 53.050 0.097 0.000 0.856 396 N CB -0.406 38.134 38.487 0.088 0.000 0.993 396 N HN 0.428 nan 8.380 nan 0.000 0.426 397 Y N 2.337 122.669 120.300 0.053 0.000 2.200 397 Y HA -0.158 4.392 4.550 0.000 0.000 0.290 397 Y C 2.521 178.478 175.900 0.096 0.000 1.137 397 Y CA 1.402 59.544 58.100 0.070 0.000 1.163 397 Y CB -0.463 38.040 38.460 0.071 0.000 0.988 397 Y HN -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.181 114.866 114.554 0.218 0.000 2.708 398 T HA -0.199 4.151 4.350 0.000 0.000 0.266 398 T C 1.800 176.563 174.700 0.106 0.000 1.037 398 T CA 1.900 64.117 62.100 0.196 0.000 1.146 398 T CB -0.196 68.862 68.868 0.317 0.000 0.865 398 T HN 0.266 nan 8.240 nan 0.000 0.435 399 K N 0.388 120.844 120.400 0.094 0.000 2.057 399 K HA -0.014 4.306 4.320 0.000 0.000 0.207 399 K C 2.199 178.801 176.600 0.003 0.000 1.049 399 K CA 0.854 57.179 56.287 0.062 0.000 0.931 399 K CB -0.346 32.191 32.500 0.061 0.000 0.714 399 K HN 0.138 nan 8.250 nan 0.000 0.440 400 L N 1.309 122.505 121.223 -0.045 0.000 1.994 400 L HA -0.175 4.165 4.340 0.000 0.000 0.208 400 L C 1.901 178.695 176.870 -0.127 0.000 1.071 400 L CA 1.578 56.361 54.840 -0.096 0.000 0.745 400 L CB -0.372 41.595 42.059 -0.154 0.000 0.892 400 L HN 0.083 nan 8.230 nan 0.000 0.431 401 I N -0.293 120.157 120.570 -0.199 0.000 2.127 401 I HA -0.316 3.854 4.170 0.000 0.000 0.241 401 I C 2.597 178.680 176.117 -0.057 0.000 1.075 401 I CA 1.646 62.854 61.300 -0.155 0.000 1.334 401 I CB -1.262 36.638 38.000 -0.166 0.000 1.040 401 I HN 0.322 nan 8.210 nan 0.000 0.405 402 L N 0.032 121.242 121.223 -0.022 0.000 2.093 402 L HA -0.183 4.157 4.340 0.000 0.000 0.208 402 L C 2.698 179.557 176.870 -0.018 0.000 1.085 402 L CA 1.400 56.238 54.840 -0.004 0.000 0.755 402 L CB -0.606 41.471 42.059 0.029 0.000 0.904 402 L HN 0.276 nan 8.230 nan 0.000 0.435 403 S N -0.225 115.464 115.700 -0.020 0.000 2.399 403 S HA -0.163 4.307 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 1.190 59.377 58.200 -0.021 0.000 0.983 403 S CB -0.072 63.117 63.200 -0.018 0.000 0.803 403 S HN 0.402 nan 8.310 nan 0.000 0.480 404 E N 0.641 120.824 120.200 -0.029 0.000 2.499 404 E HA 0.157 4.507 4.350 0.000 0.000 0.199 404 E C 1.535 178.122 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.117 56.400 -0.022 0.000 0.933 404 E CB -0.013 29.676 29.700 -0.018 0.000 1.050 404 E HN 0.505 nan 8.360 nan 0.000 0.462 405 R N 1.471 121.952 120.500 -0.031 0.000 2.112 405 R HA -0.200 4.140 4.340 0.000 0.000 0.242 405 R C 0.896 177.160 176.300 -0.061 0.000 1.137 405 R CA 1.874 57.948 56.100 -0.043 0.000 0.944 405 R CB 0.105 30.373 30.300 -0.053 0.000 0.857 405 R HN 0.085 nan 8.270 nan 0.000 0.435 406 D N -0.269 120.094 120.400 -0.061 0.000 2.149 406 D HA -0.158 4.482 4.640 0.000 0.000 0.201 406 D C 2.025 178.292 176.300 -0.056 0.000 0.972 406 D CA 1.413 55.370 54.000 -0.073 0.000 0.835 406 D CB -0.219 40.542 40.800 -0.065 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.777 121.258 120.500 -0.031 0.000 2.189 407 R HA 0.020 4.360 4.340 0.000 0.000 0.218 407 R C 1.993 178.296 176.300 0.006 0.000 1.074 407 R CA 0.773 56.866 56.100 -0.012 0.000 0.991 407 R CB -0.428 29.871 30.300 -0.001 0.000 0.883 407 R HN 0.145 nan 8.270 nan 0.000 0.457 408 L N 0.333 121.565 121.223 0.016 0.000 2.446 408 L HA 0.280 4.620 4.340 0.000 0.000 0.219 408 L C 0.910 177.804 176.870 0.040 0.000 1.116 408 L CA 0.511 55.393 54.840 0.071 0.000 0.844 408 L CB 0.013 42.136 42.059 0.106 0.000 0.970 408 L HN 0.628 nan 8.230 nan 0.000 0.457 409 G N 1.533 110.296 108.800 -0.061 0.000 2.272 409 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 409 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 409 G C 0.037 174.739 174.900 -0.330 0.000 1.067 409 G CA -0.203 44.792 45.100 -0.175 0.000 0.902 409 G HN 0.300 nan 8.290 nan 0.000 0.500 410 I N 0.821 121.241 120.570 -0.250 0.000 2.294 410 I HA 0.211 4.381 4.170 0.000 0.000 0.295 410 I C 0.916 176.814 176.117 -0.366 0.000 1.098 410 I CA -0.037 61.111 61.300 -0.255 0.000 1.277 410 I CB 0.434 38.389 38.000 -0.074 0.000 1.434 410 I HN 0.084 nan 8.210 nan 0.000 0.498 411 K N 3.378 123.292 120.400 -0.810 0.000 2.087 411 K HA 0.335 4.655 4.320 0.000 0.000 0.255 411 K C 1.147 177.513 176.600 -0.390 0.000 0.988 411 K CA -0.460 55.309 56.287 -0.865 0.000 0.915 411 K CB 1.228 32.766 32.500 -1.602 0.000 1.043 411 K HN 0.560 nan 8.250 nan 0.000 0.457 412 T N -3.115 111.284 114.554 -0.259 0.000 3.051 412 T HA 0.046 4.396 4.350 0.000 0.000 0.255 412 T C 0.686 175.363 174.700 -0.039 0.000 1.085 412 T CA -0.116 61.941 62.100 -0.071 0.000 1.109 412 T CB -0.139 68.693 68.868 -0.060 0.000 0.921 412 T HN 0.372 nan 8.240 nan 0.000 0.488 413 V N -1.702 118.111 119.914 -0.168 0.000 2.577 413 V HA 0.811 4.931 4.120 0.000 0.000 0.303 413 V C -1.806 174.202 176.094 -0.143 0.000 1.042 413 V CA -1.753 60.514 62.300 -0.056 0.000 0.872 413 V CB 0.886 32.687 31.823 -0.037 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.595 124.851 121.300 -0.074 0.000 2.844 414 W HA 0.733 5.394 4.660 0.000 0.000 0.340 414 W C -2.716 173.802 176.519 -0.002 0.000 1.093 414 W CA -2.504 54.822 57.345 -0.032 0.000 1.212 414 W CB 1.823 31.283 29.460 -0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.073 nan 4.420 nan 0.000 0.271 415 P C 0.840 178.290 177.300 0.250 0.000 1.226 415 P CA 0.385 63.606 63.100 0.202 0.000 0.765 415 P CB 0.819 32.612 31.700 0.157 0.000 0.835 416 T N 2.807 117.466 114.554 0.175 0.000 2.699 416 T HA -0.236 4.114 4.350 0.000 0.000 0.268 416 T C 1.770 176.573 174.700 0.173 0.000 1.036 416 T CA 1.776 63.970 62.100 0.158 0.000 1.147 416 T CB -0.352 68.573 68.868 0.096 0.000 0.862 416 T HN 0.433 nan 8.240 nan 0.000 0.446 417 R N 1.466 122.051 120.500 0.141 0.000 2.091 417 R HA -0.101 4.239 4.340 0.000 0.000 0.238 417 R C 2.116 178.503 176.300 0.145 0.000 1.136 417 R CA 1.853 58.024 56.100 0.119 0.000 0.959 417 R CB -0.387 29.970 30.300 0.095 0.000 0.856 417 R HN 0.476 nan 8.270 nan 0.000 0.437 418 E N -1.174 119.151 120.200 0.210 0.000 2.152 418 E HA -0.204 4.146 4.350 0.000 0.000 0.192 418 E C 1.578 178.364 176.600 0.309 0.000 0.983 418 E CA 1.149 57.715 56.400 0.277 0.000 0.818 418 E CB -0.205 29.701 29.700 0.344 0.000 0.758 418 E HN 0.433 nan 8.360 nan 0.000 0.467 419 Y N 1.534 121.879 120.300 0.075 0.000 2.220 419 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 419 Y C 2.354 178.158 175.900 -0.161 0.000 1.129 419 Y CA 1.628 59.481 58.100 -0.411 0.000 1.161 419 Y CB -0.331 37.734 38.460 -0.658 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.418 114.938 114.554 -0.057 0.000 2.684 420 T HA -0.187 4.163 4.350 0.000 0.000 0.267 420 T C 1.329 175.981 174.700 -0.080 0.000 1.036 420 T CA 1.757 63.804 62.100 -0.089 0.000 1.148 420 T CB -0.395 68.485 68.868 0.020 0.000 0.863 420 T HN 0.356 nan 8.240 nan 0.000 0.436 421 D N 0.447 120.854 120.400 0.013 0.000 2.123 421 D HA -0.068 4.572 4.640 0.000 0.000 0.196 421 D C 1.664 178.012 176.300 0.080 0.000 0.992 421 D CA 0.740 54.774 54.000 0.058 0.000 0.833 421 D CB -0.499 40.359 40.800 0.097 0.000 0.954 421 D HN 0.367 nan 8.370 nan 0.000 0.455 422 F N 1.790 121.683 119.950 -0.094 0.000 2.095 422 F HA -0.155 4.372 4.527 0.000 0.000 0.298 422 F C 2.282 178.037 175.800 -0.074 0.000 1.104 422 F CA 1.437 59.395 58.000 -0.070 0.000 1.232 422 F CB -0.082 38.795 39.000 -0.204 0.000 0.987 422 F HN -0.204 nan 8.300 nan 0.000 0.475 423 R N 0.373 120.656 120.500 -0.363 0.000 2.096 423 R HA -0.240 4.100 4.340 0.000 0.000 0.240 423 R C 2.364 178.537 176.300 -0.212 0.000 1.139 423 R CA 2.168 58.061 56.100 -0.344 0.000 0.952 423 R CB -0.788 29.306 30.300 -0.344 0.000 0.854 423 R HN 0.636 nan 8.270 nan 0.000 0.436 424 E N -0.605 119.512 120.200 -0.139 0.000 2.216 424 E HA -0.203 4.147 4.350 0.000 0.000 0.192 424 E C 1.646 178.195 176.600 -0.085 0.000 0.988 424 E CA 0.788 57.126 56.400 -0.104 0.000 0.834 424 E CB -0.294 29.372 29.700 -0.057 0.000 0.772 424 E HN 0.414 nan 8.360 nan 0.000 0.479 425 Y N 1.088 121.294 120.300 -0.156 0.000 2.130 425 Y HA -0.030 4.520 4.550 0.000 0.000 0.287 425 Y C 1.112 176.929 175.900 -0.140 0.000 1.124 425 Y CA 0.960 58.993 58.100 -0.111 0.000 1.118 425 Y CB -0.261 38.175 38.460 -0.040 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.508 120.291 119.950 -0.278 0.000 2.521 426 F HA -0.006 4.522 4.527 0.000 0.000 0.298 426 F C 1.016 176.639 175.800 -0.295 0.000 1.289 426 F CA 0.202 57.980 58.000 -0.370 0.000 1.315 426 F CB 0.197 38.778 39.000 -0.698 0.000 1.257 426 F HN 0.135 nan 8.300 nan 0.000 0.541 427 M N 2.134 120.770 119.600 -1.606 0.000 2.212 427 M HA -0.258 4.222 4.480 0.000 0.000 0.193 427 M C 0.276 176.262 176.300 -0.524 0.000 0.493 427 M CA 0.763 55.432 55.300 -1.051 0.000 0.427 427 M CB -1.115 31.084 32.600 -0.668 0.000 1.120 427 M HN 0.806 nan 8.290 nan 0.000 0.929 428 E N -1.086 118.840 120.200 -0.457 0.000 2.474 428 E HA 0.182 4.532 4.350 0.000 0.000 0.195 428 E C -0.031 176.422 176.600 -0.244 0.000 1.039 428 E CA 0.134 56.353 56.400 -0.301 0.000 0.881 428 E CB 0.701 30.231 29.700 -0.283 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.919 120.669 119.914 -0.273 0.000 2.483 429 V HA 0.573 4.693 4.120 0.000 0.000 0.297 429 V C -0.660 175.315 176.094 -0.198 0.000 1.027 429 V CA -0.605 61.573 62.300 -0.203 0.000 0.855 429 V CB 1.622 33.344 31.823 -0.168 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.062 125.792 122.820 -0.149 0.000 2.839 430 A HA 0.469 4.789 4.320 0.000 0.000 0.303 430 A C -0.402 177.128 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.573 19.501 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.361 122.713 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 0.000 0.000 0.236 431 D C 1.155 177.423 176.300 -0.053 0.000 1.233 431 D CA 0.309 54.269 54.000 -0.068 0.000 0.829 431 D CB -0.486 40.272 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.497 119.697 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 0.000 0.000 0.053 432 L C 0.616 177.465 176.870 -0.035 0.000 2.741 432 L CA 1.242 56.060 54.840 -0.037 0.000 1.500 432 L CB -1.647 40.393 42.059 -0.033 0.000 2.928 432 L HN 0.282 nan 8.230 nan 0.000 1.023 433 N N -0.387 118.295 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 4.740 0.000 0.000 0.231 433 N C -0.378 175.117 175.510 -0.025 0.000 1.385 433 N CA 0.455 53.488 53.050 -0.028 0.000 0.790 433 N CB 0.497 38.970 38.487 -0.023 0.000 1.563 433 N HN 1.151 nan 8.380 nan 0.000 0.613 434 S N 1.053 116.737 115.700 -0.027 0.000 2.560 434 S HA 0.501 4.971 4.470 0.000 0.000 0.276 434 S C -1.252 173.336 174.600 -0.019 0.000 1.350 434 S CA -0.509 57.676 58.200 -0.024 0.000 1.024 434 S CB -0.717 62.468 63.200 -0.026 0.000 0.864 434 S HN 0.584 nan 8.310 nan 0.000 0.536 435 P HA -0.093 nan 4.420 nan 0.000 0.041 435 P C 0.188 177.481 177.300 -0.012 0.000 0.590 435 P CA 0.555 63.647 63.100 -0.014 0.000 1.019 435 P CB -0.685 31.007 31.700 -0.013 0.000 1.776 436 L N 0.574 121.790 121.223 -0.012 0.000 2.127 436 L HA -0.106 4.234 4.340 0.000 0.000 0.203 436 L C 2.683 179.548 176.870 -0.009 0.000 1.080 436 L CA 1.639 56.474 54.840 -0.010 0.000 0.768 436 L CB -1.044 41.009 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.947 121.341 120.400 -0.010 0.000 2.362 437 K HA -0.116 4.204 4.320 0.000 0.000 0.202 437 K C 1.525 178.120 176.600 -0.008 0.000 1.045 437 K CA 1.996 58.278 56.287 -0.009 0.000 0.936 437 K CB -0.826 31.668 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.850 118.715 120.570 -0.008 0.000 4.439 438 I HA 0.225 4.395 4.170 0.000 0.000 0.331 438 I C 2.416 178.529 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.714 61.300 -0.008 0.000 1.193 438 I CB 0.744 38.739 38.000 -0.008 0.000 1.221 438 I HN 0.220 nan 8.210 nan 0.000 0.429 439 A N 1.631 124.447 122.820 -0.007 0.000 1.862 439 A HA 0.027 4.347 4.320 0.000 0.000 0.217 439 A C 1.436 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.136 54.170 52.037 -0.006 0.000 0.673 439 A CB -1.172 17.825 19.000 -0.005 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925