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_C DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.014 62.100 -0.144 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 9 Q N 0.458 120.164 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 0.000 0.000 0.269 9 Q C 0.653 176.582 176.000 -0.118 0.000 1.030 9 Q CA 0.686 56.419 55.803 -0.116 0.000 0.788 9 Q CB 0.735 29.416 28.738 -0.095 0.000 1.266 9 Q HN 2.518 nan 8.270 nan 0.000 0.438 10 Q N 0.468 120.206 119.800 -0.103 0.000 2.363 10 Q HA -0.279 4.061 4.340 0.000 0.000 0.409 10 Q C 1.131 177.054 176.000 -0.129 0.000 1.118 10 Q CA 4.480 60.221 55.803 -0.103 0.000 0.966 10 Q CB -2.620 26.069 28.738 -0.082 0.000 1.795 10 Q HN 2.311 nan 8.270 nan 0.000 0.941 11 I N -6.419 114.079 120.570 -0.120 0.000 3.519 11 I HA 0.729 4.899 4.170 0.000 0.000 0.314 11 I C -0.603 175.444 176.117 -0.116 0.000 1.273 11 I CA -0.588 60.633 61.300 -0.131 0.000 1.108 11 I CB 1.737 39.667 38.000 -0.117 0.000 1.212 11 I HN 0.653 nan 8.210 nan 0.000 0.420 12 V N 1.734 121.609 119.914 -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 61.187 62.300 -0.032 0.000 0.844 12 V CB 1.089 32.871 31.823 -0.069 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.583 178.957 177.300 0.124 0.000 1.158 13 P CA 1.688 64.836 63.100 0.080 0.000 0.895 13 P CB 0.115 31.864 31.700 0.081 0.000 0.792 14 F N -0.350 119.617 119.950 0.028 0.000 2.102 14 F HA -0.164 4.363 4.527 0.000 0.000 0.298 14 F C 2.044 177.884 175.800 0.068 0.000 1.105 14 F CA 1.292 59.310 58.000 0.030 0.000 1.239 14 F CB -0.727 38.267 39.000 -0.011 0.000 0.991 14 F HN -0.235 nan 8.300 nan 0.000 0.474 15 I N 0.656 121.232 120.570 0.010 0.000 2.208 15 I HA -0.282 3.889 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 1.423 62.714 61.300 -0.015 0.000 1.363 15 I CB -1.308 36.848 38.000 0.261 0.000 1.051 15 I HN 0.212 nan 8.210 nan 0.000 0.413 16 R N 0.270 120.834 120.500 0.106 0.000 2.083 16 R HA -0.196 4.144 4.340 0.000 0.000 0.237 16 R C 2.595 178.910 176.300 0.025 0.000 1.137 16 R CA 2.130 58.323 56.100 0.155 0.000 0.951 16 R CB -0.233 30.136 30.300 0.115 0.000 0.851 16 R HN 0.226 nan 8.270 nan 0.000 0.434 17 S N 0.076 115.733 115.700 -0.071 0.000 2.368 17 S HA -0.117 4.353 4.470 0.000 0.000 0.224 17 S C 1.845 176.331 174.600 -0.190 0.000 1.029 17 S CA 1.129 59.264 58.200 -0.107 0.000 0.988 17 S CB -0.245 62.901 63.200 -0.089 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.293 122.282 121.223 -0.390 0.000 2.027 18 L HA 0.139 4.479 4.340 0.000 0.000 0.206 18 L C 1.961 178.754 176.870 -0.127 0.000 1.074 18 L CA 1.799 56.428 54.840 -0.352 0.000 0.745 18 L CB -0.444 41.280 42.059 -0.559 0.000 0.898 18 L HN 0.373 nan 8.230 nan 0.000 0.433 19 L N -1.528 119.641 121.223 -0.089 0.000 2.375 19 L HA 0.085 4.425 4.340 0.000 0.000 0.215 19 L C 0.667 177.621 176.870 0.140 0.000 1.108 19 L CA 0.310 55.165 54.840 0.026 0.000 0.830 19 L CB 0.006 41.996 42.059 -0.115 0.000 0.959 19 L HN 0.237 nan 8.230 nan 0.000 0.457 20 M N -0.533 119.125 119.600 0.096 0.000 2.389 20 M HA 0.239 4.719 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 -1.276 54.106 55.300 0.136 0.000 0.648 20 M CB 1.598 34.273 32.600 0.124 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.157 nan 4.420 nan 0.000 0.219 21 P C 1.357 178.658 177.300 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 -5.729 108.838 114.554 0.022 0.000 3.098 22 T HA -0.078 4.272 4.350 0.000 0.000 0.266 22 T C 1.698 176.413 174.700 0.024 0.000 1.145 22 T CA 1.377 63.491 62.100 0.022 0.000 1.092 22 T CB -1.426 67.463 68.868 0.034 0.000 0.908 22 T HN 0.016 nan 8.240 nan 0.000 0.526 23 T N 0.851 115.421 114.554 0.027 0.000 3.023 23 T HA 0.452 4.802 4.350 0.000 0.000 0.266 23 T C 0.931 175.644 174.700 0.023 0.000 1.093 23 T CA 1.050 63.165 62.100 0.024 0.000 1.129 23 T CB -0.662 68.224 68.868 0.030 0.000 0.899 23 T HN 0.990 nan 8.240 nan 0.000 0.491 24 G N 1.336 110.148 108.800 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 -3.332 171.586 174.900 0.030 0.000 1.303 24 G CA -0.955 44.163 45.100 0.030 0.000 0.966 24 G HN 0.076 nan 8.290 nan 0.000 0.560 25 P HA 0.721 nan 4.420 nan 0.000 0.283 25 P C -0.463 176.898 177.300 0.102 0.000 1.271 25 P CA 0.184 63.325 63.100 0.068 0.000 0.841 25 P CB 1.989 33.742 31.700 0.088 0.000 1.122 26 A N 0.503 123.414 122.820 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 -0.540 51.619 52.037 0.203 0.000 0.691 26 A CB 0.724 19.860 19.000 0.227 0.000 1.291 26 A HN 0.381 nan 8.150 nan 0.000 0.404 27 S N 0.798 116.635 115.700 0.228 0.000 2.549 27 S HA 0.363 4.833 4.470 0.000 0.000 0.279 27 S C 0.295 174.877 174.600 -0.030 0.000 1.321 27 S CA -0.160 58.145 58.200 0.175 0.000 1.054 27 S CB 0.074 63.442 63.200 0.280 0.000 0.899 27 S HN 0.463 nan 8.310 nan 0.000 0.497 28 I N 4.934 125.372 120.570 -0.220 0.000 2.598 28 I HA 0.108 4.278 4.170 0.000 0.000 0.284 28 I C -1.560 174.221 176.117 -0.561 0.000 1.140 28 I CA -1.421 59.452 61.300 -0.712 0.000 1.420 28 I CB 0.400 38.087 38.000 -0.523 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.109 nan 4.420 nan 0.000 0.214 29 P C -1.047 176.089 177.300 -0.273 0.000 1.807 29 P CA -0.265 62.621 63.100 -0.356 0.000 0.921 29 P CB -0.405 31.108 31.700 -0.311 0.000 1.835 30 D N -1.015 119.238 120.400 -0.246 0.000 2.541 30 D HA 0.120 4.760 4.640 0.000 0.000 0.276 30 D C 0.448 176.729 176.300 -0.033 0.000 1.190 30 D CA -0.367 53.558 54.000 -0.125 0.000 1.095 30 D CB -0.009 40.729 40.800 -0.103 0.000 1.173 30 D HN -0.175 nan 8.370 nan 0.000 0.604 31 D N -1.343 119.057 120.400 0.001 0.000 2.349 31 D HA 0.040 4.680 4.640 0.000 0.000 0.214 31 D C -0.008 176.319 176.300 0.046 0.000 1.063 31 D CA 0.319 54.332 54.000 0.022 0.000 0.847 31 D CB 0.079 40.891 40.800 0.019 0.000 0.933 31 D HN 0.274 nan 8.370 nan 0.000 0.513 32 T N 2.123 116.715 114.554 0.063 0.000 4.104 32 T HA 0.178 4.528 4.350 0.000 0.000 0.285 32 T C 0.897 175.700 174.700 0.172 0.000 1.346 32 T CA -0.093 62.078 62.100 0.118 0.000 1.158 32 T CB -0.337 68.612 68.868 0.134 0.000 1.290 32 T HN 0.034 nan 8.240 nan 0.000 0.975 33 L N 3.404 124.719 121.223 0.153 0.000 2.404 33 L HA 0.254 4.594 4.340 0.000 0.000 0.277 33 L C 0.773 177.852 176.870 0.348 0.000 1.184 33 L CA 0.052 55.034 54.840 0.236 0.000 1.013 33 L CB -0.085 42.027 42.059 0.089 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.942 123.335 120.200 0.321 0.000 2.207 34 E HA 0.316 4.666 4.350 0.000 0.000 0.270 34 E C -0.605 176.015 176.600 0.032 0.000 0.927 34 E CA -0.955 55.503 56.400 0.097 0.000 0.799 34 E CB 2.435 31.972 29.700 -0.271 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.466 123.634 120.400 -0.386 0.000 2.412 35 K HA 0.048 4.368 4.320 0.000 0.000 0.284 35 K C 0.228 176.745 176.600 -0.139 0.000 1.046 35 K CA 0.317 56.319 56.287 -0.475 0.000 0.999 35 K CB 0.140 32.310 32.500 -0.549 0.000 0.941 35 K HN 0.524 nan 8.250 nan 0.000 0.474 36 H N -0.229 118.779 119.070 -0.105 0.000 2.959 36 H HA 0.483 5.039 4.556 0.000 0.000 0.296 36 H C -1.076 174.284 175.328 0.053 0.000 1.421 36 H CA -0.799 55.260 56.048 0.019 0.000 1.206 36 H CB 1.931 31.797 29.762 0.173 0.000 1.891 36 H HN 0.403 nan 8.280 nan 0.000 0.573 37 T N 0.591 115.261 114.554 0.193 0.000 2.906 37 T HA 0.543 4.893 4.350 0.000 0.000 0.295 37 T C -0.892 173.949 174.700 0.234 0.000 1.061 37 T CA -0.739 61.436 62.100 0.124 0.000 1.000 37 T CB 1.115 70.061 68.868 0.131 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.474 124.803 121.223 0.177 0.000 2.307 38 L HA 0.742 5.082 4.340 0.000 0.000 0.284 38 L C 0.019 176.970 176.870 0.135 0.000 1.023 38 L CA -0.748 54.205 54.840 0.189 0.000 0.810 38 L CB 1.601 43.767 42.059 0.179 0.000 1.231 38 L HN 0.505 nan 8.230 nan 0.000 0.423 39 R N 0.897 121.483 120.500 0.142 0.000 2.771 39 R HA 0.601 4.941 4.340 0.000 0.000 0.274 39 R C -1.293 175.121 176.300 0.189 0.000 0.987 39 R CA -0.470 55.714 56.100 0.140 0.000 0.908 39 R CB 2.499 32.850 30.300 0.085 0.000 1.213 39 R HN 0.520 nan 8.270 nan 0.000 0.468 40 S N 1.187 116.982 115.700 0.158 0.000 2.501 40 S HA 0.500 4.970 4.470 0.000 0.000 0.301 40 S C -1.109 173.605 174.600 0.189 0.000 1.096 40 S CA -0.848 57.443 58.200 0.151 0.000 1.063 40 S CB 1.472 64.725 63.200 0.088 0.000 1.042 40 S HN 0.316 nan 8.310 nan 0.000 0.494 41 E N 2.332 122.675 120.200 0.238 0.000 2.224 41 E HA 0.337 4.687 4.350 0.000 0.000 0.265 41 E C -0.408 176.289 176.600 0.163 0.000 0.878 41 E CA -0.495 56.036 56.400 0.219 0.000 0.759 41 E CB 2.029 31.914 29.700 0.309 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.565 114.055 114.554 0.110 0.000 2.882 42 T HA 0.505 4.855 4.350 0.000 0.000 0.287 42 T C 0.312 175.065 174.700 0.089 0.000 1.014 42 T CA -0.612 61.534 62.100 0.077 0.000 1.049 42 T CB 0.967 69.859 68.868 0.040 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.337 117.089 115.700 0.087 0.000 2.519 43 S HA 0.669 5.139 4.470 0.000 0.000 0.309 43 S C -0.313 174.310 174.600 0.040 0.000 1.100 43 S CA -0.922 57.349 58.200 0.119 0.000 1.059 43 S CB 1.403 64.754 63.200 0.252 0.000 1.008 43 S HN 1.068 nan 8.310 nan 0.000 0.478 44 T N 1.162 115.615 114.554 -0.169 0.000 2.881 44 T HA 0.717 5.067 4.350 0.000 0.000 0.291 44 T C -1.315 173.080 174.700 -0.509 0.000 0.990 44 T CA -0.523 61.460 62.100 -0.195 0.000 0.976 44 T CB 0.430 69.208 68.868 -0.149 0.000 0.970 44 T HN 0.421 nan 8.240 nan 0.000 0.438 45 Y N 1.452 121.757 120.300 0.008 0.000 2.457 45 Y HA 0.551 5.101 4.550 0.000 0.000 0.343 45 Y C -0.178 175.698 175.900 -0.041 0.000 0.994 45 Y CA -1.230 56.860 58.100 -0.016 0.000 1.031 45 Y CB 2.334 40.779 38.460 -0.024 0.000 1.246 45 Y HN 0.571 nan 8.280 nan 0.000 0.449 46 N N 3.957 122.712 118.700 0.092 0.000 2.621 46 N HA 0.383 5.123 4.740 0.000 0.000 0.237 46 N C -1.305 174.210 175.510 0.009 0.000 0.997 46 N CA -0.296 52.769 53.050 0.025 0.000 0.918 46 N CB 0.936 39.425 38.487 0.003 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.960 122.146 121.223 -0.062 0.000 2.350 47 L HA 0.429 4.769 4.340 0.000 0.000 0.275 47 L C 0.719 177.548 176.870 -0.069 0.000 1.099 47 L CA -0.404 54.364 54.840 -0.121 0.000 0.808 47 L CB 0.813 42.611 42.059 -0.435 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.827 116.392 114.554 0.019 0.000 2.799 48 T HA 0.339 4.689 4.350 0.000 0.000 0.286 48 T C 0.085 174.851 174.700 0.110 0.000 0.973 48 T CA -0.484 61.641 62.100 0.042 0.000 1.035 48 T CB 1.669 70.563 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.468 123.430 119.914 0.080 0.000 2.555 49 V HA 0.460 4.580 4.120 0.000 0.000 0.286 49 V C 1.218 177.391 176.094 0.132 0.000 1.044 49 V CA -0.268 62.125 62.300 0.155 0.000 1.026 49 V CB 1.022 32.909 31.823 0.107 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.361 111.254 108.800 0.155 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 0.543 175.479 174.900 0.060 0.000 1.350 50 G CA -0.233 44.919 45.100 0.086 0.000 1.039 50 G HN 0.674 nan 8.290 nan 0.000 0.509 51 D N -0.506 119.912 120.400 0.030 0.000 2.158 51 D HA -0.152 4.488 4.640 0.000 0.000 0.197 51 D C 2.798 179.103 176.300 0.007 0.000 0.995 51 D CA 2.109 56.117 54.000 0.014 0.000 0.846 51 D CB -0.267 40.533 40.800 0.001 0.000 0.941 51 D HN 0.450 nan 8.370 nan 0.000 0.456 52 T N -3.583 110.971 114.554 -0.001 0.000 3.088 52 T HA 0.222 4.572 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 0.855 62.942 62.100 -0.021 0.000 1.095 52 T CB 0.148 68.981 68.868 -0.058 0.000 0.930 52 T HN 0.220 nan 8.240 nan 0.000 0.508 53 G N 0.221 109.048 108.800 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 0.287 45.445 45.100 0.096 0.000 0.724 53 G HN 1.002 nan 8.290 nan 0.000 0.514 54 S N -1.330 114.407 115.700 0.062 0.000 2.546 54 S HA 0.930 5.400 4.470 0.000 0.000 0.274 54 S C 0.100 174.485 174.600 -0.358 0.000 1.121 54 S CA 0.718 58.824 58.200 -0.156 0.000 0.887 54 S CB 1.846 64.951 63.200 -0.159 0.000 1.094 54 S HN 1.935 nan 8.310 nan 0.000 0.474 55 G N 1.107 109.370 108.800 -0.896 0.000 2.488 55 G HA2 0.562 4.522 3.960 0.000 0.000 0.301 55 G HA3 0.562 4.522 3.960 0.000 0.000 0.301 55 G C -2.477 172.166 174.900 -0.429 0.000 1.339 55 G CA -0.524 44.215 45.100 -0.602 0.000 0.803 55 G HN 1.003 nan 8.290 nan 0.000 0.482 56 L N -0.131 121.124 121.223 0.054 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 0.186 0.000 0.965 56 L CA -0.653 54.250 54.840 0.105 0.000 0.833 56 L CB 1.793 43.848 42.059 -0.007 0.000 1.296 56 L HN 0.520 nan 8.230 nan 0.000 0.405 57 I N 5.337 125.950 120.570 0.072 0.000 2.354 57 I HA 0.446 4.617 4.170 0.000 0.000 0.292 57 I C -0.658 175.219 176.117 -0.400 0.000 0.989 57 I CA -0.910 60.284 61.300 -0.178 0.000 1.188 57 I CB 1.852 39.636 38.000 -0.359 0.000 1.342 57 I HN 0.255 nan 8.210 nan 0.000 0.457 58 V N 7.286 126.920 119.914 -0.468 0.000 2.350 58 V HA 0.363 4.483 4.120 0.000 0.000 0.276 58 V C -0.277 175.334 176.094 -0.805 0.000 1.028 58 V CA -0.331 61.633 62.300 -0.560 0.000 0.860 58 V CB 0.828 32.344 31.823 -0.512 0.000 0.990 58 V HN 0.404 nan 8.190 nan 0.000 0.453 59 F N 4.090 123.765 119.950 -0.458 0.000 2.458 59 F HA 0.583 5.110 4.527 0.000 0.000 0.330 59 F C -0.012 175.465 175.800 -0.539 0.000 1.082 59 F CA -0.624 57.125 58.000 -0.417 0.000 0.995 59 F CB 1.748 40.656 39.000 -0.153 0.000 1.170 59 F HN 0.367 nan 8.300 nan 0.000 0.478 60 F N 3.603 123.726 119.950 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 -1.815 56.326 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 -0.134 nan 4.420 nan 0.000 0.219 61 P C 1.388 178.793 177.300 0.174 0.000 1.146 61 P CA 1.250 64.443 63.100 0.155 0.000 0.808 61 P CB 0.316 32.061 31.700 0.075 0.000 0.779 62 G N -1.694 107.242 108.800 0.226 0.000 3.337 62 G HA2 0.048 4.008 3.960 0.000 0.000 0.246 62 G HA3 0.048 4.008 3.960 0.000 0.000 0.246 62 G C -0.164 174.890 174.900 0.258 0.000 1.131 62 G CA -0.390 44.821 45.100 0.186 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.171 123.255 119.950 0.223 0.000 2.571 63 F HA 0.285 4.812 4.527 0.000 0.000 0.384 63 F C -1.594 174.356 175.800 0.250 0.000 1.058 63 F CA -2.445 55.688 58.000 0.222 0.000 1.200 63 F CB 1.106 40.241 39.000 0.225 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.318 nan 4.420 nan 0.000 0.238 64 P C -0.051 177.182 177.300 -0.112 0.000 1.794 64 P CA 0.359 63.407 63.100 -0.086 0.000 1.088 64 P CB 0.232 31.800 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 0.000 3.960 3.960 0.000 0.000 0.269 65 G HA3 0.000 3.960 3.960 0.000 0.000 0.269 65 G C 0.222 175.379 174.900 0.429 0.000 1.291 65 G CA -0.351 44.902 45.100 0.255 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.422 115.458 115.700 0.300 0.000 2.593 66 S HA 0.293 4.764 4.470 0.000 0.000 0.217 66 S C 0.932 175.621 174.600 0.149 0.000 0.966 66 S CA 0.069 58.386 58.200 0.195 0.000 0.914 66 S CB -0.257 63.007 63.200 0.106 0.000 0.776 66 S HN 0.349 nan 8.310 nan 0.000 0.523 67 I N 1.316 121.867 120.570 -0.031 0.000 2.337 67 I HA 0.147 4.317 4.170 0.000 0.000 0.291 67 I C 0.831 176.925 176.117 -0.038 0.000 1.046 67 I CA -0.128 61.002 61.300 -0.282 0.000 1.324 67 I CB 1.449 38.911 38.000 -0.896 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.315 125.331 119.914 0.169 0.000 2.922 68 V HA 0.437 4.557 4.120 0.000 0.000 0.242 68 V C 0.940 177.273 176.094 0.398 0.000 1.094 68 V CA 1.053 63.543 62.300 0.316 0.000 1.106 68 V CB 0.423 32.433 31.823 0.311 0.000 0.799 68 V HN 0.961 nan 8.190 nan 0.000 0.474 69 G N -1.114 107.836 108.800 0.249 0.000 2.348 69 G HA2 0.660 4.621 3.960 0.000 0.000 0.296 69 G HA3 0.660 4.621 3.960 0.000 0.000 0.296 69 G C -1.841 173.030 174.900 -0.049 0.000 1.258 69 G CA 0.154 45.244 45.100 -0.017 0.000 0.868 69 G HN 0.653 nan 8.290 nan 0.000 0.488 70 A N -0.616 122.073 122.820 -0.219 0.000 2.549 70 A HA 0.791 5.111 4.320 0.000 0.000 0.297 70 A C -1.281 176.130 177.584 -0.288 0.000 1.061 70 A CA -0.444 51.494 52.037 -0.164 0.000 0.690 70 A CB 1.550 20.562 19.000 0.021 0.000 1.287 70 A HN 1.201 nan 8.150 nan 0.000 0.402 71 H N 1.228 119.998 119.070 -0.498 0.000 2.466 71 H HA 0.644 5.200 4.556 0.000 0.000 0.338 71 H C -1.804 173.226 175.328 -0.497 0.000 1.091 71 H CA -0.285 55.529 56.048 -0.389 0.000 1.207 71 H CB 0.904 30.486 29.762 -0.299 0.000 1.466 71 H HN 0.612 nan 8.280 nan 0.000 0.493 72 Y N 2.136 122.219 120.300 -0.363 0.000 2.425 72 Y HA 0.170 4.720 4.550 0.000 0.000 0.344 72 Y C 0.459 176.188 175.900 -0.284 0.000 0.969 72 Y CA -0.826 57.143 58.100 -0.219 0.000 1.052 72 Y CB 2.133 40.658 38.460 0.109 0.000 1.215 72 Y HN 0.581 nan 8.280 nan 0.000 0.451 73 T N 0.566 115.071 114.554 -0.081 0.000 2.922 73 T HA 0.570 4.920 4.350 0.000 0.000 0.285 73 T C -0.755 173.985 174.700 0.068 0.000 1.005 73 T CA -0.753 61.343 62.100 -0.006 0.000 1.061 73 T CB 1.391 70.250 68.868 -0.016 0.000 1.007 73 T HN 0.460 nan 8.240 nan 0.000 0.502 74 L N 1.872 123.060 121.223 -0.059 0.000 2.334 74 L HA 0.446 4.786 4.340 0.000 0.000 0.277 74 L C -0.056 176.714 176.870 -0.166 0.000 1.075 74 L CA -0.032 54.650 54.840 -0.263 0.000 0.804 74 L CB 1.147 42.990 42.059 -0.361 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.438 75 Q N 2.363 122.051 119.800 -0.187 0.000 2.297 75 Q HA 0.356 4.696 4.340 0.000 0.000 0.269 75 Q C 0.921 176.855 176.000 -0.112 0.000 1.051 75 Q CA -0.176 55.561 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 0.900 nan 8.270 nan 0.000 0.457 76 G N 1.664 110.419 108.800 -0.075 0.000 2.556 76 G HA2 -0.342 3.618 3.960 0.000 0.000 0.220 76 G HA3 -0.342 3.618 3.960 0.000 0.000 0.220 76 G C 0.884 175.738 174.900 -0.076 0.000 1.156 76 G CA 1.438 46.498 45.100 -0.066 0.000 0.766 76 G HN 0.845 nan 8.290 nan 0.000 0.583 77 N N 0.810 119.464 118.700 -0.077 0.000 2.515 77 N HA 0.133 4.873 4.740 0.000 0.000 0.191 77 N C 1.555 177.003 175.510 -0.103 0.000 1.182 77 N CA 1.017 54.020 53.050 -0.078 0.000 0.879 77 N CB 0.059 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 0.424 109.140 108.800 -0.140 0.000 2.176 78 G HA2 -0.255 3.705 3.960 0.000 0.000 0.253 78 G HA3 -0.255 3.705 3.960 0.000 0.000 0.253 78 G C -0.214 174.534 174.900 -0.254 0.000 0.979 78 G CA -0.193 44.794 45.100 -0.189 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.141 118.432 118.700 -0.211 0.000 2.515 79 N HA 0.553 5.293 4.740 0.000 0.000 0.279 79 N C -0.076 175.277 175.510 -0.262 0.000 1.164 79 N CA -0.257 52.673 53.050 -0.199 0.000 0.982 79 N CB 0.444 38.869 38.487 -0.102 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.287 120.520 120.300 -0.112 0.000 2.301 80 Y HA 0.237 4.788 4.550 0.000 0.000 0.328 80 Y C 1.013 176.945 175.900 0.054 0.000 1.242 80 Y CA 0.104 58.187 58.100 -0.029 0.000 1.323 80 Y CB 1.012 39.429 38.460 -0.071 0.000 1.266 80 Y HN 0.194 nan 8.280 nan 0.000 0.527 81 K N 3.280 123.867 120.400 0.312 0.000 2.471 81 K HA 0.254 4.574 4.320 0.000 0.000 0.252 81 K C -1.436 175.370 176.600 0.345 0.000 0.938 81 K CA -0.804 55.645 56.287 0.269 0.000 0.796 81 K CB 0.900 33.473 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.833 123.928 119.950 0.242 0.000 2.607 82 F HA -0.030 4.497 4.527 0.000 0.000 0.374 82 F C 0.885 176.619 175.800 -0.109 0.000 1.104 82 F CA 0.684 58.679 58.000 -0.009 0.000 1.296 82 F CB 0.799 39.819 39.000 0.033 0.000 1.085 82 F HN 0.819 nan 8.300 nan 0.000 0.584 83 D N 2.330 122.135 120.400 -0.992 0.000 2.805 83 D HA 0.107 4.747 4.640 0.000 0.000 0.271 83 D C -0.614 175.003 176.300 -1.138 0.000 1.166 83 D CA 0.919 54.458 54.000 -0.769 0.000 1.004 83 D CB 0.220 40.760 40.800 -0.434 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.879 118.155 119.800 -1.278 0.000 2.578 84 Q HA 0.322 4.662 4.340 0.000 0.000 0.284 84 Q C -1.090 174.646 176.000 -0.440 0.000 0.960 84 Q CA -1.037 54.278 55.803 -0.814 0.000 0.809 84 Q CB 1.106 29.643 28.738 -0.334 0.000 1.462 84 Q HN -0.047 nan 8.270 nan 0.000 0.392 85 M N 1.807 121.397 119.600 -0.017 0.000 2.243 85 M HA 0.353 4.833 4.480 0.000 0.000 0.341 85 M C -0.521 175.650 176.300 -0.215 0.000 1.130 85 M CA -0.006 55.307 55.300 0.021 0.000 1.162 85 M CB -0.002 32.665 32.600 0.111 0.000 1.497 85 M HN 0.614 nan 8.290 nan 0.000 0.456 86 L N 4.715 125.788 121.223 -0.249 0.000 2.272 86 L HA 0.551 4.891 4.340 0.000 0.000 0.289 86 L C -0.441 176.423 176.870 -0.010 0.000 1.032 86 L CA -0.372 54.190 54.840 -0.464 0.000 0.810 86 L CB 0.653 42.480 42.059 -0.387 0.000 1.205 86 L HN 0.564 nan 8.230 nan 0.000 0.422 87 L N 1.283 122.648 121.223 0.236 0.000 2.279 87 L HA 0.571 4.912 4.340 0.000 0.000 0.262 87 L C 0.520 177.595 176.870 0.342 0.000 1.019 87 L CA -0.799 54.208 54.840 0.278 0.000 0.823 87 L CB 1.917 44.112 42.059 0.227 0.000 1.358 87 L HN 0.382 nan 8.230 nan 0.000 0.432 88 T N 0.249 114.951 114.554 0.246 0.000 2.903 88 T HA 0.096 4.446 4.350 0.000 0.000 0.314 88 T C 1.137 175.929 174.700 0.153 0.000 1.078 88 T CA 0.510 62.739 62.100 0.214 0.000 1.114 88 T CB 1.409 70.401 68.868 0.206 0.000 0.987 88 T HN 0.727 nan 8.240 nan 0.000 0.548 89 A N 2.636 125.523 122.820 0.111 0.000 1.908 89 A HA -0.068 4.252 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 1.452 53.523 52.037 0.055 0.000 0.627 89 A CB -0.367 18.657 19.000 0.041 0.000 0.818 89 A HN 0.850 nan 8.150 nan 0.000 0.445 90 Q N -1.518 118.330 119.800 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 0.783 29.562 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 0.131 4.871 4.740 0.000 0.000 0.250 91 N C 0.481 176.027 175.510 0.061 0.000 1.127 91 N CA -0.010 53.076 53.050 0.060 0.000 0.945 91 N CB 0.316 38.832 38.487 0.049 0.000 1.196 91 N HN 0.766 nan 8.380 nan 0.000 0.499 92 L N 4.474 125.729 121.223 0.053 0.000 2.043 92 L HA -0.122 4.218 4.340 0.000 0.000 0.212 92 L C -0.666 176.271 176.870 0.112 0.000 1.075 92 L CA 1.258 56.150 54.840 0.087 0.000 0.752 92 L CB -1.065 40.937 42.059 -0.095 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.129 nan 4.420 nan 0.000 0.228 93 P C 1.094 178.396 177.300 0.003 0.000 1.151 93 P CA 1.264 64.378 63.100 0.023 0.000 0.770 93 P CB -0.019 31.686 31.700 0.010 0.000 0.786 94 A N -1.282 121.542 122.820 0.005 0.000 2.119 94 A HA 0.004 4.324 4.320 0.000 0.000 0.216 94 A C 2.012 179.551 177.584 -0.076 0.000 1.152 94 A CA 1.543 53.565 52.037 -0.024 0.000 0.708 94 A CB -0.557 18.437 19.000 -0.010 0.000 0.805 94 A HN 0.141 nan 8.150 nan 0.000 0.460 95 S N -2.785 112.844 115.700 -0.117 0.000 2.631 95 S HA 0.338 4.808 4.470 0.000 0.000 0.246 95 S C -0.415 173.830 174.600 -0.591 0.000 1.068 95 S CA -0.242 57.737 58.200 -0.368 0.000 0.995 95 S CB 0.148 63.058 63.200 -0.484 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.045 121.331 120.300 -0.022 0.000 2.536 96 Y HA 0.522 5.072 4.550 0.000 0.000 0.347 96 Y C 0.715 176.587 175.900 -0.047 0.000 1.000 96 Y CA -1.074 57.020 58.100 -0.010 0.000 1.051 96 Y CB 1.048 39.506 38.460 -0.003 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N -0.021 118.748 118.700 0.116 0.000 2.407 97 N HA 0.085 4.825 4.740 0.000 0.000 0.182 97 N C -1.156 174.153 175.510 -0.334 0.000 1.079 97 N CA 0.524 53.499 53.050 -0.125 0.000 0.882 97 N CB 0.446 38.853 38.487 -0.133 0.000 1.106 97 N HN 0.532 nan 8.380 nan 0.000 0.461 98 Y N -1.031 119.346 120.300 0.127 0.000 2.545 98 Y HA 0.547 5.097 4.550 0.000 0.000 0.348 98 Y C -0.165 175.863 175.900 0.213 0.000 1.002 98 Y CA -1.154 57.041 58.100 0.158 0.000 1.039 98 Y CB 2.211 40.775 38.460 0.172 0.000 1.271 98 Y HN -0.111 nan 8.280 nan 0.000 0.467 99 C N 2.440 121.951 119.300 0.352 0.000 3.239 99 C HA 0.846 5.306 4.460 0.000 0.000 0.329 99 C C -1.796 173.172 174.990 -0.036 0.000 1.252 99 C CA -0.717 58.383 59.018 0.137 0.000 1.323 99 C CB 1.815 29.545 27.740 -0.016 0.000 1.663 99 C HN 1.031 nan 8.230 nan 0.000 0.487 100 R N 2.678 123.138 120.500 -0.067 0.000 2.548 100 R HA 0.661 5.001 4.340 0.000 0.000 0.280 100 R C -1.742 174.612 176.300 0.090 0.000 1.061 100 R CA -0.648 55.375 56.100 -0.129 0.000 0.915 100 R CB 1.683 31.651 30.300 -0.554 0.000 1.210 100 R HN 0.816 nan 8.270 nan 0.000 0.442 101 L N 4.698 125.994 121.223 0.122 0.000 2.319 101 L HA 0.228 4.568 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 0.389 55.257 54.840 0.047 0.000 0.828 101 L CB 1.608 43.707 42.059 0.067 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.553 122.445 119.914 -0.036 0.000 2.492 102 V HA 0.256 4.376 4.120 0.000 0.000 0.241 102 V C 0.566 176.719 176.094 0.099 0.000 1.041 102 V CA 1.133 63.497 62.300 0.107 0.000 1.057 102 V CB 0.039 31.919 31.823 0.095 0.000 0.711 102 V HN 0.942 nan 8.190 nan 0.000 0.468 103 S N -0.300 115.364 115.700 -0.060 0.000 2.597 103 S HA 0.717 5.187 4.470 0.000 0.000 0.274 103 S C -0.944 173.574 174.600 -0.135 0.000 1.132 103 S CA -0.915 57.240 58.200 -0.075 0.000 0.835 103 S CB 2.622 65.761 63.200 -0.101 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 -0.103 0.000 2.579 104 R HA 0.669 5.009 4.340 0.000 0.000 0.260 104 R C -1.693 174.536 176.300 -0.117 0.000 1.103 104 R CA 0.001 56.032 56.100 -0.115 0.000 0.942 104 R CB 1.703 31.942 30.300 -0.101 0.000 1.251 104 R HN 1.309 nan 8.270 nan 0.000 0.450 105 S N 3.992 119.611 115.700 -0.135 0.000 2.549 105 S HA 0.780 5.250 4.470 0.000 0.000 0.280 105 S C -1.169 173.304 174.600 -0.211 0.000 1.109 105 S CA -0.795 57.288 58.200 -0.195 0.000 0.905 105 S CB 1.754 64.824 63.200 -0.216 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 1.228 122.276 121.223 -0.292 0.000 2.409 106 L HA 0.708 5.048 4.340 0.000 0.000 0.262 106 L C -0.391 176.344 176.870 -0.224 0.000 0.992 106 L CA -0.470 54.196 54.840 -0.289 0.000 0.817 106 L CB 2.761 44.471 42.059 -0.581 0.000 1.350 106 L HN 0.776 nan 8.230 nan 0.000 0.411 107 T N 1.385 115.873 114.554 -0.110 0.000 2.824 107 T HA 0.676 5.026 4.350 0.000 0.000 0.282 107 T C -1.018 173.696 174.700 0.023 0.000 0.993 107 T CA -0.364 61.706 62.100 -0.049 0.000 0.967 107 T CB 1.694 70.543 68.868 -0.033 0.000 0.960 107 T HN 0.210 nan 8.240 nan 0.000 0.441 108 V N 5.821 125.765 119.914 0.050 0.000 2.483 108 V HA 0.758 4.878 4.120 0.000 0.000 0.297 108 V C -0.209 175.911 176.094 0.043 0.000 1.027 108 V CA -0.812 61.535 62.300 0.078 0.000 0.855 108 V CB 1.522 33.438 31.823 0.154 0.000 0.995 108 V HN 0.927 nan 8.190 nan 0.000 0.424 109 R N 2.319 122.824 120.500 0.008 0.000 2.690 109 R HA 0.628 4.968 4.340 0.000 0.000 0.269 109 R C -0.843 175.435 176.300 -0.036 0.000 1.037 109 R CA -0.630 55.469 56.100 -0.002 0.000 0.877 109 R CB 1.642 31.950 30.300 0.014 0.000 1.255 109 R HN 0.611 nan 8.270 nan 0.000 0.467 110 S N 0.132 115.810 115.700 -0.035 0.000 2.584 110 S HA 0.305 4.775 4.470 0.000 0.000 0.273 110 S C 0.524 175.109 174.600 -0.026 0.000 1.311 110 S CA 0.079 58.251 58.200 -0.047 0.000 1.034 110 S CB 1.464 64.640 63.200 -0.040 0.000 0.939 110 S HN 0.863 nan 8.310 nan 0.000 0.513 111 S N 0.730 116.413 115.700 -0.029 0.000 2.691 111 S HA 0.284 4.754 4.470 0.000 0.000 0.258 111 S C 0.254 174.846 174.600 -0.014 0.000 1.078 111 S CA -0.145 58.045 58.200 -0.017 0.000 1.000 111 S CB -0.040 63.149 63.200 -0.018 0.000 0.942 111 S HN 0.776 nan 8.310 nan 0.000 0.521 112 T N 3.003 117.546 114.554 -0.018 0.000 2.906 112 T HA 0.783 5.133 4.350 0.000 0.000 0.295 112 T C -1.495 173.198 174.700 -0.011 0.000 1.075 112 T CA -0.811 61.282 62.100 -0.012 0.000 1.005 112 T CB 1.878 70.739 68.868 -0.012 0.000 1.136 112 T HN 0.428 nan 8.240 nan 0.000 0.498 113 L N -0.794 120.426 121.223 -0.005 0.000 2.422 113 L HA 0.835 5.175 4.340 0.000 0.000 0.264 113 L C -2.436 174.433 176.870 -0.000 0.000 0.984 113 L CA -1.894 52.945 54.840 -0.002 0.000 0.819 113 L CB -0.984 41.075 42.059 -0.000 0.000 1.330 113 L HN 0.354 nan 8.230 nan 0.000 0.410 121 N N 0.973 119.684 118.700 0.018 0.000 2.576 121 N HA 0.581 5.321 4.740 0.000 0.000 0.269 121 N C 0.031 175.559 175.510 0.031 0.000 1.058 121 N CA 0.861 53.922 53.050 0.019 0.000 0.860 121 N CB 1.833 40.327 38.487 0.011 0.000 1.249 121 N HN 0.469 nan 8.380 nan 0.000 0.525 122 G N 1.230 110.049 108.800 0.032 0.000 2.804 122 G HA2 -0.211 3.749 3.960 0.000 0.000 0.230 122 G HA3 -0.211 3.749 3.960 0.000 0.000 0.230 122 G C -0.409 174.534 174.900 0.071 0.000 1.386 122 G CA -0.006 45.119 45.100 0.042 0.000 0.875 122 G HN 0.773 nan 8.290 nan 0.000 0.557 123 T N -2.539 112.074 114.554 0.098 0.000 2.896 123 T HA 0.746 5.096 4.350 0.000 0.000 0.297 123 T C -0.315 174.582 174.700 0.328 0.000 1.108 123 T CA -0.702 61.505 62.100 0.179 0.000 1.004 123 T CB 2.198 71.182 68.868 0.194 0.000 1.159 123 T HN 1.019 nan 8.240 nan 0.000 0.499 124 I N 1.994 122.756 120.570 0.320 0.000 2.465 124 I HA 0.448 4.618 4.170 0.000 0.000 0.291 124 I C -0.788 175.431 176.117 0.170 0.000 1.014 124 I CA -0.930 60.566 61.300 0.327 0.000 1.093 124 I CB 1.967 40.097 38.000 0.218 0.000 1.267 124 I HN 0.572 nan 8.210 nan 0.000 0.431 125 N N 4.471 123.135 118.700 -0.060 0.000 2.361 125 N HA 0.820 5.560 4.740 0.000 0.000 0.302 125 N C -1.086 174.341 175.510 -0.139 0.000 1.074 125 N CA -0.474 52.404 53.050 -0.288 0.000 0.850 125 N CB 2.237 40.233 38.487 -0.818 0.000 1.228 125 N HN 0.678 nan 8.380 nan 0.000 0.491 126 A N 0.688 123.456 122.820 -0.086 0.000 2.515 126 A HA 0.788 5.108 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 -0.032 0.000 0.698 126 A CB 1.006 20.023 19.000 0.028 0.000 1.289 126 A HN 0.380 nan 8.150 nan 0.000 0.404 127 V N -1.096 118.805 119.914 -0.020 0.000 3.049 127 V HA 0.805 4.925 4.120 0.000 0.000 0.309 127 V C -0.302 175.811 176.094 0.033 0.000 1.148 127 V CA -0.725 61.572 62.300 -0.005 0.000 0.990 127 V CB 1.609 33.434 31.823 0.004 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.786 118.361 114.554 0.035 0.000 2.758 128 T HA 0.606 4.956 4.350 0.000 0.000 0.285 128 T C -0.929 173.840 174.700 0.116 0.000 0.981 128 T CA 0.085 62.222 62.100 0.062 0.000 0.965 128 T CB 0.750 69.626 68.868 0.013 0.000 0.927 128 T HN 0.660 nan 8.240 nan 0.000 0.448 129 F N 2.732 122.671 119.950 -0.018 0.000 2.436 129 F HA 0.345 4.872 4.527 0.000 0.000 0.340 129 F C 0.820 176.621 175.800 0.002 0.000 1.113 129 F CA -0.948 57.045 58.000 -0.012 0.000 1.022 129 F CB 1.463 40.456 39.000 -0.012 0.000 1.128 129 F HN 0.461 nan 8.300 nan 0.000 0.466 130 Q N 4.594 124.009 119.800 -0.642 0.000 2.404 130 Q HA 0.313 4.653 4.340 0.000 0.000 0.272 130 Q C 0.031 175.611 176.000 -0.700 0.000 0.939 130 Q CA -0.135 55.359 55.803 -0.514 0.000 0.945 130 Q CB 0.029 28.562 28.738 -0.341 0.000 1.195 130 Q HN 0.889 nan 8.270 nan 0.000 0.415 131 G N -0.623 107.649 108.800 -0.881 0.000 2.687 131 G HA2 0.385 4.345 3.960 0.000 0.000 0.291 131 G HA3 0.385 4.345 3.960 0.000 0.000 0.291 131 G C -0.889 174.100 174.900 0.148 0.000 1.420 131 G CA -0.644 44.212 45.100 -0.407 0.000 0.796 131 G HN 0.207 nan 8.290 nan 0.000 0.485 132 S N -0.630 115.236 115.700 0.277 0.000 2.669 132 S HA 0.372 4.842 4.470 0.000 0.000 0.270 132 S C 1.431 176.246 174.600 0.359 0.000 1.225 132 S CA -0.429 57.958 58.200 0.312 0.000 0.991 132 S CB 1.483 64.827 63.200 0.240 0.000 0.987 132 S HN 0.890 nan 8.310 nan 0.000 0.552 133 L N 1.733 123.118 121.223 0.270 0.000 2.013 133 L HA -0.145 4.195 4.340 0.000 0.000 0.212 133 L C 2.545 179.478 176.870 0.105 0.000 1.073 133 L CA 2.701 57.620 54.840 0.132 0.000 0.753 133 L CB -1.493 40.620 42.059 0.089 0.000 0.890 133 L HN 0.990 nan 8.230 nan 0.000 0.432 134 S N -1.923 113.867 115.700 0.151 0.000 2.507 134 S HA -0.116 4.354 4.470 0.000 0.000 0.235 134 S C 1.603 176.265 174.600 0.103 0.000 0.988 134 S CA 0.950 59.224 58.200 0.124 0.000 0.944 134 S CB -0.610 62.649 63.200 0.098 0.000 0.762 134 S HN 0.677 nan 8.310 nan 0.000 0.526 135 E N 0.438 120.736 120.200 0.162 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 0.052 0.000 1.012 135 E CA -0.146 56.377 56.400 0.205 0.000 0.860 135 E CB -0.089 29.847 29.700 0.394 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.994 123.058 121.223 -0.265 0.000 2.513 136 L HA -0.044 4.296 4.340 0.000 0.000 0.272 136 L C 1.778 178.522 176.870 -0.210 0.000 1.187 136 L CA 0.126 54.638 54.840 -0.547 0.000 0.895 136 L CB 0.724 42.424 42.059 -0.597 0.000 1.147 136 L HN 0.170 nan 8.230 nan 0.000 0.483 137 T N -1.867 112.590 114.554 -0.162 0.000 2.985 137 T HA -0.025 4.325 4.350 0.000 0.000 0.266 137 T C 0.436 175.095 174.700 -0.069 0.000 1.076 137 T CA 0.332 62.389 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 0.782 121.125 120.400 -0.095 0.000 2.736 138 D HA 0.312 4.952 4.640 0.000 0.000 0.243 138 D C 0.252 176.514 176.300 -0.063 0.000 1.304 138 D CA -0.691 53.274 54.000 -0.057 0.000 0.934 138 D CB 2.240 43.016 40.800 -0.041 0.000 1.382 138 D HN 0.098 nan 8.370 nan 0.000 0.571 139 V N 1.408 121.319 119.914 -0.006 0.000 3.319 139 V HA 0.299 4.419 4.120 0.000 0.000 0.317 139 V C 0.770 176.936 176.094 0.120 0.000 1.411 139 V CA -0.035 62.279 62.300 0.023 0.000 1.112 139 V CB -0.489 31.381 31.823 0.078 0.000 1.031 139 V HN 0.452 nan 8.190 nan 0.000 0.448 140 S N -0.695 115.070 115.700 0.108 0.000 2.584 140 S HA 0.246 4.716 4.470 0.000 0.000 0.270 140 S C 0.868 175.545 174.600 0.129 0.000 1.346 140 S CA 0.250 58.535 58.200 0.142 0.000 1.018 140 S CB 0.617 63.866 63.200 0.082 0.000 0.899 140 S HN 0.473 nan 8.310 nan 0.000 0.542 141 Y N 2.783 123.109 120.300 0.043 0.000 2.062 141 Y HA -0.323 4.227 4.550 0.000 0.000 0.276 141 Y C 2.103 178.011 175.900 0.015 0.000 1.189 141 Y CA 2.731 60.845 58.100 0.023 0.000 1.130 141 Y CB -0.530 37.934 38.460 0.007 0.000 0.959 141 Y HN 0.724 nan 8.280 nan 0.000 0.499 142 N N -0.236 118.550 118.700 0.144 0.000 2.216 142 N HA -0.083 4.657 4.740 0.000 0.000 0.183 142 N C 2.028 177.525 175.510 -0.023 0.000 1.017 142 N CA 1.296 54.375 53.050 0.048 0.000 0.861 142 N CB -0.997 37.553 38.487 0.106 0.000 0.986 142 N HN 0.548 nan 8.380 nan 0.000 0.428 143 G N 1.711 110.507 108.800 -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 1.662 176.531 174.900 -0.052 0.000 1.140 143 G CA 0.160 45.247 45.100 -0.022 0.000 0.775 143 G HN 0.199 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 -0.197 4.143 4.340 0.000 0.000 0.216 144 L C 2.935 179.757 176.870 -0.081 0.000 1.077 144 L CA 1.169 55.950 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 -0.609 118.937 119.600 -0.089 0.000 2.530 145 M HA -0.114 4.366 4.480 0.000 0.000 0.261 145 M C 1.719 177.996 176.300 -0.039 0.000 1.067 145 M CA 1.280 56.538 55.300 -0.071 0.000 1.071 145 M CB -0.956 31.599 32.600 -0.074 0.000 1.405 145 M HN 0.296 nan 8.290 nan 0.000 0.478 146 S N -1.127 114.556 115.700 -0.028 0.000 2.593 146 S HA 0.416 4.886 4.470 0.000 0.000 0.236 146 S C 1.640 176.251 174.600 0.018 0.000 0.991 146 S CA 0.180 58.376 58.200 -0.007 0.000 0.963 146 S CB 0.026 63.222 63.200 -0.007 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.920 124.754 122.820 0.024 0.000 2.015 147 A HA 0.168 4.488 4.320 0.000 0.000 0.219 147 A C 1.213 178.917 177.584 0.199 0.000 1.163 147 A CA 1.007 53.106 52.037 0.103 0.000 0.646 147 A CB -0.424 18.609 19.000 0.055 0.000 0.806 147 A HN 0.509 nan 8.150 nan 0.000 0.448 148 T N -3.701 110.912 114.554 0.099 0.000 2.906 148 T HA 0.628 4.978 4.350 0.000 0.000 0.295 148 T C 0.667 175.376 174.700 0.015 0.000 1.075 148 T CA -0.137 61.996 62.100 0.055 0.000 1.005 148 T CB 1.878 70.759 68.868 0.021 0.000 1.136 148 T HN 0.302 nan 8.240 nan 0.000 0.498 149 A N 0.759 123.578 122.820 -0.001 0.000 2.132 149 A HA 0.211 4.531 4.320 0.000 0.000 0.213 149 A C 0.719 178.285 177.584 -0.031 0.000 1.154 149 A CA -0.055 51.973 52.037 -0.015 0.000 0.753 149 A CB -0.729 18.262 19.000 -0.015 0.000 0.826 149 A HN 0.847 nan 8.150 nan 0.000 0.469 150 N N 0.474 119.150 118.700 -0.039 0.000 2.427 150 N HA 0.162 4.902 4.740 0.000 0.000 0.269 150 N C 0.664 176.131 175.510 -0.073 0.000 1.235 150 N CA -0.394 52.621 53.050 -0.059 0.000 0.934 150 N CB 0.873 39.320 38.487 -0.067 0.000 1.121 150 N HN 0.256 nan 8.380 nan 0.000 0.480 151 I N 2.832 123.354 120.570 -0.079 0.000 2.454 151 I HA -0.210 3.960 4.170 0.000 0.000 0.254 151 I C 1.072 177.107 176.117 -0.136 0.000 1.156 151 I CA 1.373 62.617 61.300 -0.093 0.000 1.433 151 I CB -0.090 37.859 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.461 119.065 118.700 -0.161 0.000 2.314 152 N HA 0.009 4.749 4.740 0.000 0.000 0.200 152 N C 0.201 175.572 175.510 -0.233 0.000 1.135 152 N CA 0.387 53.292 53.050 -0.241 0.000 0.835 152 N CB 0.041 38.371 38.487 -0.261 0.000 0.989 152 N HN 0.414 nan 8.380 nan 0.000 0.478 153 D N 0.319 120.625 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 0.000 0.000 0.218 153 D C 0.089 176.336 176.300 -0.089 0.000 1.177 153 D CA 0.209 54.138 54.000 -0.118 0.000 0.830 153 D CB 0.880 41.633 40.800 -0.078 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.063 120.273 120.400 -0.107 0.000 2.502 154 K HA 0.661 4.981 4.320 0.000 0.000 0.257 154 K C -1.422 175.119 176.600 -0.098 0.000 0.938 154 K CA -0.893 55.343 56.287 -0.084 0.000 0.819 154 K CB 2.669 35.129 32.500 -0.066 0.000 1.333 154 K HN -0.179 nan 8.250 nan 0.000 0.434 155 I N 0.673 121.197 120.570 -0.077 0.000 2.656 155 I HA 0.528 4.698 4.170 0.000 0.000 0.292 155 I C -1.212 174.876 176.117 -0.049 0.000 1.144 155 I CA -0.096 61.168 61.300 -0.060 0.000 1.038 155 I CB 2.462 40.435 38.000 -0.045 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.209 112.989 108.800 -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 -0.513 174.403 174.900 0.027 0.000 1.298 156 G CA -0.462 44.621 45.100 -0.028 0.000 0.948 156 G HN 0.677 nan 8.290 nan 0.000 0.486 157 N N -0.210 118.532 118.700 0.070 0.000 2.738 157 N HA -0.168 4.572 4.740 0.000 0.000 0.249 157 N C 0.322 175.898 175.510 0.110 0.000 1.047 157 N CA 0.667 53.800 53.050 0.140 0.000 0.707 157 N CB -1.066 37.497 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 0.105 4.225 4.120 0.000 0.000 0.291 158 V C 1.460 177.619 176.094 0.108 0.000 1.049 158 V CA -0.511 61.847 62.300 0.097 0.000 1.038 158 V CB 0.995 32.875 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 1.460 178.376 176.870 0.077 0.000 1.201 159 L CA -0.035 54.852 54.840 0.077 0.000 0.869 159 L CB 0.593 42.688 42.059 0.059 0.000 1.123 159 L HN 0.501 nan 8.230 nan 0.000 0.484 160 V N 3.419 123.377 119.914 0.074 0.000 2.490 160 V HA -0.193 3.927 4.120 0.000 0.000 0.250 160 V C 2.267 178.382 176.094 0.035 0.000 1.061 160 V CA 2.157 64.492 62.300 0.059 0.000 1.064 160 V CB -0.714 31.136 31.823 0.046 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.685 108.135 108.800 0.033 0.000 2.422 161 G HA2 -0.283 3.677 3.960 0.000 0.000 0.218 161 G HA3 -0.283 3.677 3.960 0.000 0.000 0.218 161 G C 1.554 176.473 174.900 0.031 0.000 1.146 161 G CA 0.973 46.087 45.100 0.025 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.110 120.336 120.200 0.043 0.000 2.051 162 E HA 0.270 4.620 4.350 0.000 0.000 0.189 162 E C 1.345 177.979 176.600 0.056 0.000 0.979 162 E CA 0.794 57.224 56.400 0.051 0.000 0.803 162 E CB -0.117 29.619 29.700 0.060 0.000 0.761 162 E HN 0.475 nan 8.360 nan 0.000 0.451 163 G N -0.092 108.745 108.800 0.063 0.000 2.710 163 G HA2 -0.188 3.772 3.960 0.000 0.000 0.668 163 G HA3 -0.188 3.772 3.960 0.000 0.000 0.668 163 G C -0.959 173.990 174.900 0.081 0.000 1.320 163 G CA -0.313 44.825 45.100 0.065 0.000 0.860 163 G HN 0.289 nan 8.290 nan 0.000 0.538 164 V N 0.210 120.171 119.914 0.079 0.000 2.769 164 V HA 0.827 4.947 4.120 0.000 0.000 0.312 164 V C 0.333 176.454 176.094 0.045 0.000 1.061 164 V CA -0.103 62.251 62.300 0.089 0.000 0.931 164 V CB 2.368 34.254 31.823 0.104 0.000 1.010 164 V HN 1.169 nan 8.190 nan 0.000 0.433 165 T N 3.644 118.220 114.554 0.036 0.000 2.792 165 T HA 0.525 4.875 4.350 0.000 0.000 0.280 165 T C -0.587 174.078 174.700 -0.058 0.000 0.990 165 T CA -0.310 61.718 62.100 -0.121 0.000 0.960 165 T CB 1.461 70.081 68.868 -0.413 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.737 124.559 119.914 -0.154 0.000 2.383 166 V HA 0.484 4.604 4.120 0.000 0.000 0.275 166 V C -0.359 175.628 176.094 -0.178 0.000 1.036 166 V CA -0.745 61.474 62.300 -0.135 0.000 0.889 166 V CB 1.223 32.884 31.823 -0.270 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.912 126.105 121.223 -0.051 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 0.241 55.054 54.840 -0.046 0.000 0.820 167 L CB 2.047 44.164 42.059 0.097 0.000 1.247 167 L HN 0.631 nan 8.230 nan 0.000 0.416 168 S N 5.978 121.655 115.700 -0.039 0.000 2.448 168 S HA 0.539 5.009 4.470 0.000 0.000 0.279 168 S C -0.413 174.187 174.600 0.000 0.000 1.195 168 S CA -0.524 57.666 58.200 -0.017 0.000 1.051 168 S CB -0.296 62.892 63.200 -0.019 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.482 127.703 121.223 -0.003 0.000 2.331 169 L HA 0.568 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 -2.355 52.481 54.840 -0.008 0.000 0.812 169 L CB 1.499 43.548 42.059 -0.016 0.000 1.257 169 L HN 0.526 nan 8.230 nan 0.000 0.435 170 P HA 0.088 nan 4.420 nan 0.000 0.271 170 P C -0.582 176.573 177.300 -0.241 0.000 1.218 170 P CA -0.208 62.752 63.100 -0.233 0.000 0.780 170 P CB 0.680 32.044 31.700 -0.559 0.000 0.901 171 T N -2.126 112.276 114.554 -0.252 0.000 3.331 171 T HA 0.492 4.842 4.350 0.000 0.000 0.381 171 T C -0.268 174.267 174.700 -0.276 0.000 1.656 171 T CA -0.681 61.289 62.100 -0.217 0.000 1.453 171 T CB -0.776 68.005 68.868 -0.145 0.000 1.066 171 T HN 0.626 nan 8.240 nan 0.000 0.655 172 S N 1.339 116.835 115.700 -0.341 0.000 2.912 172 S HA -0.104 4.366 4.470 0.000 0.000 0.857 172 S C -0.768 173.576 174.600 -0.426 0.000 0.919 172 S CA -0.673 57.341 58.200 -0.310 0.000 1.424 172 S CB -1.028 62.041 63.200 -0.220 0.000 1.019 172 S HN 0.720 nan 8.310 nan 0.000 0.231 173 Y N 2.099 122.367 120.300 -0.054 0.000 2.645 173 Y HA 0.460 5.010 4.550 0.000 0.000 0.341 173 Y C 1.331 177.193 175.900 -0.063 0.000 1.234 173 Y CA -0.252 57.813 58.100 -0.059 0.000 1.352 173 Y CB 0.427 38.854 38.460 -0.056 0.000 1.556 173 Y HN 0.772 nan 8.280 nan 0.000 0.607 174 D N 0.748 121.242 120.400 0.156 0.000 2.737 174 D HA -0.186 4.454 4.640 0.000 0.000 0.233 174 D C -1.056 175.271 176.300 0.045 0.000 1.155 174 D CA 0.758 54.800 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 -0.118 121.128 121.223 0.037 0.000 2.417 175 L HA 0.403 4.744 4.340 0.000 0.000 0.268 175 L C 1.829 178.778 176.870 0.132 0.000 1.158 175 L CA -0.131 54.720 54.840 0.018 0.000 0.819 175 L CB 0.840 42.853 42.059 -0.077 0.000 1.112 175 L HN 0.033 nan 8.230 nan 0.000 0.458 176 G N 0.550 109.495 108.800 0.243 0.000 2.606 176 G HA2 0.174 4.135 3.960 0.000 0.000 0.252 176 G HA3 0.174 4.135 3.960 0.000 0.000 0.252 176 G C -0.880 174.178 174.900 0.264 0.000 1.206 176 G CA -0.338 44.922 45.100 0.267 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.521 119.845 120.300 0.110 0.000 2.511 177 Y HA 0.237 4.787 4.550 0.000 0.000 0.332 177 Y C 0.884 176.843 175.900 0.098 0.000 1.177 177 Y CA 0.212 58.375 58.100 0.104 0.000 1.422 177 Y CB 1.059 39.558 38.460 0.064 0.000 1.271 177 Y HN 0.148 nan 8.280 nan 0.000 0.550 178 V N 5.356 125.311 119.914 0.068 0.000 2.427 178 V HA 0.315 4.435 4.120 0.000 0.000 0.286 178 V C 0.133 176.229 176.094 0.003 0.000 1.034 178 V CA -1.204 61.008 62.300 -0.148 0.000 0.893 178 V CB 1.371 32.873 31.823 -0.536 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.852 124.312 120.500 -0.066 0.000 2.401 179 R HA 0.363 4.703 4.340 0.000 0.000 0.299 179 R C -0.430 175.737 176.300 -0.223 0.000 1.064 179 R CA -0.315 55.596 56.100 -0.316 0.000 1.000 179 R CB 0.295 30.374 30.300 -0.367 0.000 0.973 179 R HN 0.622 nan 8.270 nan 0.000 0.438 180 L N 2.137 123.232 121.223 -0.214 0.000 2.479 180 L HA 0.237 4.577 4.340 0.000 0.000 0.248 180 L C 1.495 178.308 176.870 -0.094 0.000 1.205 180 L CA -0.099 54.673 54.840 -0.114 0.000 0.817 180 L CB 0.555 42.573 42.059 -0.069 0.000 1.162 180 L HN 0.804 nan 8.230 nan 0.000 0.486 181 G N 0.217 108.997 108.800 -0.033 0.000 3.455 181 G HA2 0.038 3.998 3.960 0.000 0.000 0.250 181 G HA3 0.038 3.998 3.960 0.000 0.000 0.250 181 G C -0.051 174.827 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.679 45.100 -0.027 0.000 1.812 181 G HN 0.710 nan 8.290 nan 0.000 0.643 182 D N 1.122 121.482 120.400 -0.067 0.000 2.382 182 D HA 0.133 4.773 4.640 0.000 0.000 0.245 182 D C -2.471 173.800 176.300 -0.049 0.000 1.120 182 D CA -1.549 52.416 54.000 -0.058 0.000 0.890 182 D CB 1.873 42.623 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.152 nan 4.420 nan 0.000 0.268 183 P C -0.446 176.835 177.300 -0.033 0.000 1.205 183 P CA -0.411 62.672 63.100 -0.028 0.000 0.771 183 P CB 0.831 32.518 31.700 -0.021 0.000 0.858 184 I N 5.083 125.636 120.570 -0.028 0.000 2.562 184 I HA 0.406 4.576 4.170 0.000 0.000 0.301 184 I C -2.230 173.875 176.117 -0.019 0.000 1.003 184 I CA -3.103 58.181 61.300 -0.027 0.000 1.127 184 I CB 1.236 39.219 38.000 -0.028 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.435 nan 4.420 nan 0.000 0.267 185 P C -1.549 175.744 177.300 -0.011 0.000 1.209 185 P CA -0.153 62.939 63.100 -0.013 0.000 0.763 185 P CB 0.476 32.169 31.700 -0.012 0.000 0.816 186 A N 3.462 126.276 122.820 -0.010 0.000 2.566 186 A HA 0.693 5.013 4.320 0.000 0.000 0.297 186 A C -0.797 176.783 177.584 -0.007 0.000 1.059 186 A CA -0.693 51.339 52.037 -0.008 0.000 0.691 186 A CB 0.978 19.973 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.540 120.026 120.570 -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 -0.871 60.427 61.300 -0.005 0.000 1.074 187 I CB 2.441 40.438 38.000 -0.004 0.000 1.258 187 I HN 0.975 nan 8.210 nan 0.000 0.430 188 G N 3.801 112.599 108.800 -0.003 0.000 2.673 188 G HA2 0.416 4.376 3.960 0.000 0.000 0.292 188 G HA3 0.416 4.376 3.960 0.000 0.000 0.292 188 G C -0.206 174.693 174.900 -0.002 0.000 1.450 188 G CA -0.878 44.220 45.100 -0.003 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.351 120.871 121.223 -0.002 0.000 2.201 189 L HA 0.056 4.396 4.340 0.000 0.000 0.212 189 L C 0.825 177.694 176.870 -0.001 0.000 1.105 189 L CA 0.696 55.535 54.840 -0.002 0.000 0.775 189 L CB 0.083 42.141 42.059 -0.002 0.000 0.913 189 L HN 0.380 nan 8.230 nan 0.000 0.440 190 D N -0.294 120.105 120.400 -0.001 0.000 2.295 190 D HA 0.116 4.756 4.640 0.000 0.000 0.248 190 D C -1.530 174.769 176.300 -0.000 0.000 1.154 190 D CA -2.012 51.987 54.000 -0.001 0.000 0.857 190 D CB 1.756 42.556 40.800 -0.001 0.000 1.117 190 D HN -0.171 nan 8.370 nan 0.000 0.468 191 P HA -0.145 nan 4.420 nan 0.000 0.216 191 P C 0.482 177.783 177.300 0.002 0.000 1.154 191 P CA 1.347 64.448 63.100 0.001 0.000 0.865 191 P CB 0.264 31.966 31.700 0.002 0.000 0.789 192 K N -1.413 118.989 120.400 0.002 0.000 2.504 192 K HA 0.126 4.447 4.320 0.000 0.000 0.199 192 K C 0.756 177.357 176.600 0.003 0.000 1.028 192 K CA -0.248 56.042 56.287 0.004 0.000 1.164 192 K CB -0.292 32.210 32.500 0.004 0.000 0.877 192 K HN 0.194 nan 8.250 nan 0.000 0.508 193 M N 1.954 121.554 119.600 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 0.347 55.647 55.300 -0.000 0.000 1.115 193 M CB 0.697 33.296 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.654 124.567 119.914 -0.001 0.000 2.623 194 V HA 0.726 4.847 4.120 0.000 0.000 0.304 194 V C -0.696 175.396 176.094 -0.005 0.000 1.054 194 V CA -0.835 61.464 62.300 -0.001 0.000 0.882 194 V CB 1.695 33.520 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.434 126.249 122.820 -0.009 0.000 2.357 195 A HA 0.912 5.232 4.320 0.000 0.000 0.295 195 A C -0.122 177.451 177.584 -0.020 0.000 1.121 195 A CA -0.281 51.748 52.037 -0.014 0.000 0.742 195 A CB 1.495 20.487 19.000 -0.014 0.000 1.181 195 A HN 0.945 nan 8.150 nan 0.000 0.454 196 T N -1.916 112.623 114.554 -0.025 0.000 2.907 196 T HA 0.610 4.960 4.350 0.000 0.000 0.290 196 T C -0.637 174.033 174.700 -0.050 0.000 1.066 196 T CA -0.795 61.284 62.100 -0.034 0.000 1.012 196 T CB 1.466 70.318 68.868 -0.027 0.000 1.184 196 T HN 1.044 nan 8.240 nan 0.000 0.522 197 C N 2.301 121.562 119.300 -0.066 0.000 2.293 197 C HA 0.645 5.105 4.460 0.000 0.000 0.323 197 C C -0.853 174.077 174.990 -0.100 0.000 1.240 197 C CA -0.478 58.489 59.018 -0.085 0.000 1.497 197 C CB -1.035 26.648 27.740 -0.095 0.000 2.171 197 C HN 0.883 nan 8.230 nan 0.000 0.465 198 D N 2.925 123.267 120.400 -0.097 0.000 2.277 198 D HA 0.308 4.948 4.640 0.000 0.000 0.250 198 D C -0.055 176.197 176.300 -0.080 0.000 1.032 198 D CA 0.002 53.954 54.000 -0.080 0.000 0.947 198 D CB 1.570 42.328 40.800 -0.069 0.000 1.159 198 D HN 0.551 nan 8.370 nan 0.000 0.460 199 S N 0.045 115.708 115.700 -0.063 0.000 2.629 199 S HA 0.119 4.589 4.470 0.000 0.000 0.302 199 S C 1.062 175.659 174.600 -0.005 0.000 1.244 199 S CA -0.113 58.044 58.200 -0.073 0.000 1.098 199 S CB 0.142 63.279 63.200 -0.106 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.241 116.940 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 0.000 0.000 0.258 200 S C -0.369 174.275 174.600 0.075 0.000 1.082 200 S CA -0.535 57.695 58.200 0.049 0.000 0.836 200 S CB -0.449 62.748 63.200 -0.005 0.000 0.834 200 S HN 0.572 nan 8.310 nan 0.000 0.457 201 D N 3.457 123.894 120.400 0.061 0.000 2.571 201 D HA 0.241 4.881 4.640 0.000 0.000 0.231 201 D C 0.115 176.486 176.300 0.119 0.000 1.133 201 D CA 0.622 54.678 54.000 0.093 0.000 0.862 201 D CB -0.057 40.812 40.800 0.115 0.000 1.179 201 D HN 0.176 nan 8.370 nan 0.000 0.474 202 R N -0.424 120.139 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 0.000 0.000 0.258 202 R C -2.484 173.860 176.300 0.075 0.000 0.968 202 R CA -0.032 56.124 56.100 0.093 0.000 0.656 202 R CB -1.843 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 0.087 nan 4.420 nan 0.000 0.272 203 P C -0.274 177.012 177.300 -0.023 0.000 1.230 203 P CA -0.123 62.998 63.100 0.036 0.000 0.788 203 P CB 0.739 32.469 31.700 0.049 0.000 0.949 204 R N 1.194 121.656 120.500 -0.064 0.000 2.407 204 R HA 0.522 4.862 4.340 0.000 0.000 0.303 204 R C -1.365 174.809 176.300 -0.209 0.000 0.981 204 R CA -0.734 55.270 56.100 -0.161 0.000 0.905 204 R CB 0.893 31.080 30.300 -0.188 0.000 1.099 204 R HN 0.260 nan 8.270 nan 0.000 0.459 205 V N 5.444 125.198 119.914 -0.266 0.000 2.487 205 V HA 0.364 4.484 4.120 0.000 0.000 0.298 205 V C -1.211 174.708 176.094 -0.293 0.000 1.028 205 V CA -0.704 61.477 62.300 -0.199 0.000 0.860 205 V CB 1.475 33.238 31.823 -0.100 0.000 0.991 205 V HN 0.690 nan 8.190 nan 0.000 0.427 206 Y N 1.820 122.099 120.300 -0.035 0.000 2.342 206 Y HA 0.602 5.152 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 -0.514 57.562 58.100 -0.040 0.000 1.128 206 Y CB 2.040 40.483 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.155 119.754 114.554 0.075 0.000 2.786 207 T HA 0.579 4.929 4.350 0.000 0.000 0.283 207 T C -0.584 174.070 174.700 -0.077 0.000 0.992 207 T CA -0.522 61.566 62.100 -0.020 0.000 0.954 207 T CB 0.331 69.178 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.875 123.339 120.570 -0.177 0.000 2.411 208 I HA 0.248 4.418 4.170 0.000 0.000 0.284 208 I C 0.237 176.143 176.117 -0.351 0.000 1.012 208 I CA -0.638 60.464 61.300 -0.331 0.000 1.119 208 I CB 1.730 39.373 38.000 -0.594 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.769 120.166 114.554 -0.263 0.000 2.863 209 T HA 0.212 4.562 4.350 0.000 0.000 0.299 209 T C 1.201 175.748 174.700 -0.254 0.000 0.973 209 T CA -0.239 61.735 62.100 -0.211 0.000 0.994 209 T CB 1.093 69.887 68.868 -0.123 0.000 0.961 209 T HN 0.752 nan 8.240 nan 0.000 0.552 210 A N 2.924 125.560 122.820 -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 -0.057 0.000 1.163 210 A CA 0.581 52.467 52.037 -0.252 0.000 0.652 210 A CB 0.109 19.034 19.000 -0.126 0.000 0.808 210 A HN 0.890 nan 8.150 nan 0.000 0.449 211 A N -0.854 121.941 122.820 -0.042 0.000 2.540 211 A HA 0.543 4.863 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 -0.353 51.710 52.037 0.044 0.000 0.700 211 A CB 1.044 20.114 19.000 0.115 0.000 1.280 211 A HN 0.025 nan 8.150 nan 0.000 0.398 212 D N 2.159 122.603 120.400 0.072 0.000 2.375 212 D HA 0.430 5.070 4.640 0.000 0.000 0.259 212 D C -0.785 175.567 176.300 0.086 0.000 1.235 212 D CA 0.253 54.284 54.000 0.051 0.000 0.924 212 D CB 0.464 41.281 40.800 0.029 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 2.075 122.525 120.400 0.084 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 0.137 0.000 1.160 213 D CA 0.579 54.635 54.000 0.094 0.000 0.645 213 D CB -1.793 39.039 40.800 0.055 0.000 1.039 213 D HN 0.452 nan 8.370 nan 0.000 0.423 214 Y N 1.315 121.674 120.300 0.098 0.000 2.537 214 Y HA 0.138 4.688 4.550 0.000 0.000 0.339 214 Y C 0.502 176.492 175.900 0.150 0.000 1.066 214 Y CA -0.100 58.075 58.100 0.125 0.000 1.357 214 Y CB 0.515 39.077 38.460 0.169 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.369 126.780 119.800 -0.648 0.000 2.288 215 Q HA 0.159 4.499 4.340 0.000 0.000 0.258 215 Q C -1.199 174.198 176.000 -1.005 0.000 0.957 215 Q CA -0.260 55.196 55.803 -0.579 0.000 0.919 215 Q CB 1.481 30.011 28.738 -0.347 0.000 1.185 215 Q HN 0.752 nan 8.270 nan 0.000 0.408 216 F N 1.200 120.607 119.950 -0.905 0.000 2.469 216 F HA 0.511 5.038 4.527 0.000 0.000 0.332 216 F C -0.594 174.843 175.800 -0.604 0.000 1.103 216 F CA -0.519 56.929 58.000 -0.921 0.000 0.979 216 F CB 1.787 39.745 39.000 -1.737 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.050 118.988 115.700 -1.269 0.000 2.603 217 S HA 0.673 5.143 4.470 0.000 0.000 0.274 217 S C -1.460 172.595 174.600 -0.908 0.000 1.168 217 S CA -0.386 57.294 58.200 -0.867 0.000 0.963 217 S CB 1.235 64.166 63.200 -0.449 0.000 1.078 217 S HN 0.951 nan 8.310 nan 0.000 0.477 218 S N 2.781 118.098 115.700 -0.638 0.000 2.565 218 S HA 0.401 4.871 4.470 0.000 0.000 0.274 218 S C -1.831 172.696 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.435 64.405 63.200 -0.383 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.587 121.356 119.800 -0.051 0.000 2.354 219 Q HA 0.206 4.546 4.340 0.000 0.000 0.244 219 Q C -0.730 175.328 176.000 0.097 0.000 0.969 219 Q CA -0.214 55.606 55.803 0.028 0.000 0.885 219 Q CB 0.511 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 1.811 122.128 120.300 0.029 0.000 2.788 220 Y HA -0.076 4.474 4.550 0.000 0.000 0.341 220 Y C -0.489 175.439 175.900 0.045 0.000 1.258 220 Y CA 0.637 58.766 58.100 0.049 0.000 1.503 220 Y CB 0.467 38.952 38.460 0.041 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.924 126.220 119.800 -0.841 0.000 2.268 221 Q HA 0.419 4.759 4.340 0.000 0.000 0.266 221 Q C -2.965 172.463 176.000 -0.954 0.000 1.006 221 Q CA -2.545 52.786 55.803 -0.786 0.000 0.824 221 Q CB 2.052 30.627 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 0.515 177.732 177.300 -0.137 0.000 1.195 222 P CA 1.336 64.279 63.100 -0.262 0.000 0.762 222 P CB 0.754 32.388 31.700 -0.111 0.000 0.799 223 G N 2.165 110.939 108.800 -0.044 0.000 2.268 223 G HA2 0.007 3.968 3.960 0.000 0.000 0.240 223 G HA3 0.007 3.968 3.960 0.000 0.000 0.240 223 G C 0.464 175.359 174.900 -0.008 0.000 1.010 223 G CA 0.234 45.323 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 0.320 4.280 3.960 0.000 0.000 0.504 224 G HA3 0.320 4.280 3.960 0.000 0.000 0.504 224 G C -0.587 174.332 174.900 0.031 0.000 1.306 224 G CA 0.084 45.197 45.100 0.022 0.000 0.897 224 G HN 1.549 nan 8.290 nan 0.000 0.520 225 V N 0.844 120.820 119.914 0.103 0.000 2.407 225 V HA 0.649 4.769 4.120 0.000 0.000 0.291 225 V C 0.420 176.604 176.094 0.149 0.000 1.018 225 V CA -0.223 62.164 62.300 0.145 0.000 0.842 225 V CB 1.575 33.552 31.823 0.258 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.877 121.499 114.554 0.112 0.000 2.799 226 T HA 0.726 5.076 4.350 0.000 0.000 0.286 226 T C -0.180 174.596 174.700 0.126 0.000 0.973 226 T CA -0.083 62.076 62.100 0.097 0.000 1.035 226 T CB 0.879 69.786 68.868 0.064 0.000 0.932 226 T HN 0.649 nan 8.240 nan 0.000 0.469 227 I N -0.681 119.970 120.570 0.136 0.000 2.785 227 I HA 0.664 4.834 4.170 0.000 0.000 0.302 227 I C -0.450 175.727 176.117 0.101 0.000 1.069 227 I CA -0.935 60.456 61.300 0.152 0.000 1.045 227 I CB 2.340 40.492 38.000 0.253 0.000 1.236 227 I HN 0.300 nan 8.210 nan 0.000 0.429 228 T N 4.965 119.557 114.554 0.064 0.000 2.832 228 T HA 0.242 4.592 4.350 0.000 0.000 0.313 228 T C 0.730 175.438 174.700 0.014 0.000 1.035 228 T CA -0.272 61.834 62.100 0.010 0.000 0.950 228 T CB 1.063 69.914 68.868 -0.029 0.000 0.984 228 T HN 0.594 nan 8.240 nan 0.000 0.486 229 L N 4.528 125.766 121.223 0.024 0.000 2.046 229 L HA 0.242 4.582 4.340 0.000 0.000 0.208 229 L C 0.212 177.152 176.870 0.118 0.000 1.077 229 L CA 1.754 56.638 54.840 0.072 0.000 0.747 229 L CB -0.275 41.898 42.059 0.189 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.268 116.677 119.950 -0.008 0.000 2.713 230 F HA 0.651 5.178 4.527 0.000 0.000 0.311 230 F C -0.725 175.068 175.800 -0.011 0.000 1.141 230 F CA -0.907 57.077 58.000 -0.027 0.000 0.939 230 F CB 0.734 39.708 39.000 -0.044 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.168 116.990 115.700 0.202 0.000 2.575 231 S HA 0.895 5.365 4.470 0.000 0.000 0.278 231 S C -1.524 173.199 174.600 0.206 0.000 1.139 231 S CA 0.090 58.348 58.200 0.097 0.000 0.954 231 S CB 1.264 64.465 63.200 0.001 0.000 1.054 231 S HN 1.684 nan 8.310 nan 0.000 0.483 232 A N 3.865 126.789 122.820 0.173 0.000 2.488 232 A HA 0.703 5.023 4.320 0.000 0.000 0.298 232 A C -1.192 176.379 177.584 -0.023 0.000 1.044 232 A CA -0.887 51.198 52.037 0.079 0.000 0.693 232 A CB 1.061 20.107 19.000 0.076 0.000 1.272 232 A HN 0.715 nan 8.150 nan 0.000 0.402 233 N N 1.469 120.138 118.700 -0.052 0.000 2.442 233 N HA 0.524 5.264 4.740 0.000 0.000 0.265 233 N C -0.212 175.165 175.510 -0.221 0.000 1.138 233 N CA 0.284 53.288 53.050 -0.078 0.000 0.956 233 N CB 0.499 38.975 38.487 -0.018 0.000 1.067 233 N HN 0.745 nan 8.380 nan 0.000 0.474 234 I N -2.154 118.261 120.570 -0.258 0.000 3.174 234 I HA 0.615 4.785 4.170 0.000 0.000 0.313 234 I C -1.054 175.010 176.117 -0.088 0.000 1.155 234 I CA -0.965 60.038 61.300 -0.495 0.000 0.977 234 I CB 2.668 40.206 38.000 -0.770 0.000 1.248 234 I HN 0.027 nan 8.210 nan 0.000 0.453 235 D N 2.074 122.532 120.400 0.097 0.000 2.646 235 D HA 0.721 5.361 4.640 0.000 0.000 0.245 235 D C -1.166 175.218 176.300 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 43.313 40.800 0.194 0.000 1.448 235 D HN 0.904 nan 8.370 nan 0.000 0.489 236 A N 1.993 124.862 122.820 0.081 0.000 2.517 236 A HA 0.526 4.846 4.320 0.000 0.000 0.297 236 A C -0.196 177.391 177.584 0.006 0.000 1.050 236 A CA -0.517 51.553 52.037 0.056 0.000 0.694 236 A CB 0.914 19.946 19.000 0.054 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.529 121.087 120.570 -0.020 0.000 4.124 237 I HA 0.118 4.288 4.170 0.000 0.000 0.311 237 I C 1.268 177.374 176.117 -0.018 0.000 1.259 237 I CA 1.074 62.323 61.300 -0.086 0.000 1.315 237 I CB 0.655 38.507 38.000 -0.247 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.457 113.125 114.554 0.046 0.000 2.762 238 T HA 0.409 4.759 4.350 0.000 0.000 0.272 238 T C 0.323 175.074 174.700 0.085 0.000 0.982 238 T CA -0.490 61.656 62.100 0.076 0.000 1.013 238 T CB 1.158 70.100 68.868 0.125 0.000 1.309 238 T HN 0.126 nan 8.240 nan 0.000 0.572 239 S N 0.620 116.387 115.700 0.113 0.000 2.558 239 S HA 0.369 4.839 4.470 0.000 0.000 0.291 239 S C 0.040 174.752 174.600 0.186 0.000 1.306 239 S CA -0.419 57.875 58.200 0.158 0.000 1.056 239 S CB -0.983 62.329 63.200 0.188 0.000 0.836 239 S HN 1.192 nan 8.310 nan 0.000 0.504 240 L N -0.523 120.772 121.223 0.120 0.000 2.491 240 L HA 0.949 5.289 4.340 0.000 0.000 0.254 240 L C -0.659 176.219 176.870 0.013 0.000 1.048 240 L CA -1.005 53.805 54.840 -0.051 0.000 0.855 240 L CB 1.855 43.900 42.059 -0.024 0.000 1.466 240 L HN 0.856 nan 8.230 nan 0.000 0.409 241 S N -0.209 115.455 115.700 -0.059 0.000 2.569 241 S HA 0.888 5.358 4.470 0.000 0.000 0.280 241 S C -1.085 173.541 174.600 0.044 0.000 1.111 241 S CA -0.686 57.544 58.200 0.050 0.000 0.887 241 S CB 1.981 65.257 63.200 0.126 0.000 1.095 241 S HN 0.665 nan 8.310 nan 0.000 0.476 242 V N 1.488 121.456 119.914 0.090 0.000 2.487 242 V HA 0.843 4.964 4.120 0.000 0.000 0.298 242 V C 0.691 176.869 176.094 0.140 0.000 1.028 242 V CA 0.006 62.371 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 1.250 nan 8.190 nan 0.000 0.427 243 G N 1.791 110.647 108.800 0.094 0.000 2.714 243 G HA2 0.908 4.869 3.960 0.000 0.000 0.292 243 G HA3 0.908 4.869 3.960 0.000 0.000 0.292 243 G C -0.145 174.790 174.900 0.058 0.000 1.308 243 G CA -0.224 44.941 45.100 0.108 0.000 0.964 243 G HN 1.491 nan 8.290 nan 0.000 0.484 244 G N -1.146 107.706 108.800 0.086 0.000 2.373 244 G HA2 0.350 4.310 3.960 0.000 0.000 0.634 244 G HA3 0.350 4.310 3.960 0.000 0.000 0.634 244 G C -0.984 174.002 174.900 0.145 0.000 1.267 244 G CA 0.062 45.182 45.100 0.033 0.000 1.008 244 G HN 0.935 nan 8.290 nan 0.000 0.497 245 E N -1.157 119.094 120.200 0.086 0.000 2.354 245 E HA 0.549 4.899 4.350 0.000 0.000 0.283 245 E C -0.957 175.701 176.600 0.095 0.000 0.938 245 E CA -0.765 55.746 56.400 0.185 0.000 0.777 245 E CB 1.571 31.338 29.700 0.111 0.000 1.222 245 E HN 0.604 nan 8.360 nan 0.000 0.423 246 L N 2.956 124.289 121.223 0.183 0.000 2.325 246 L HA 0.635 4.975 4.340 0.000 0.000 0.278 246 L C -0.665 176.149 176.870 -0.094 0.000 1.023 246 L CA -1.111 53.711 54.840 -0.029 0.000 0.811 246 L CB 1.788 43.825 42.059 -0.037 0.000 1.249 246 L HN 0.298 nan 8.230 nan 0.000 0.431 247 V N 2.580 122.336 119.914 -0.264 0.000 2.448 247 V HA 0.445 4.565 4.120 0.000 0.000 0.295 247 V C -0.697 175.197 176.094 -0.334 0.000 1.025 247 V CA -0.442 61.766 62.300 -0.154 0.000 0.859 247 V CB 1.629 33.416 31.823 -0.060 0.000 0.988 247 V HN 0.371 nan 8.190 nan 0.000 0.431 248 F N 4.330 124.267 119.950 -0.021 0.000 2.469 248 F HA 0.715 5.242 4.527 0.000 0.000 0.332 248 F C 0.553 176.372 175.800 0.032 0.000 1.103 248 F CA -0.687 57.298 58.000 -0.025 0.000 0.979 248 F CB 1.693 40.580 39.000 -0.190 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.149 121.806 120.500 0.262 0.000 2.803 249 R HA 0.759 5.099 4.340 0.000 0.000 0.276 249 R C -0.830 175.609 176.300 0.232 0.000 0.978 249 R CA -0.807 55.406 56.100 0.189 0.000 0.939 249 R CB 2.156 32.534 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.030 113.612 114.554 0.148 0.000 2.885 250 T HA 0.229 4.579 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 1.429 70.403 68.868 0.177 0.000 1.287 250 T HN 0.452 nan 8.240 nan 0.000 0.491 251 S N 0.946 116.650 115.700 0.007 0.000 2.511 251 S HA 0.242 4.712 4.470 0.000 0.000 0.214 251 S C 0.409 174.926 174.600 -0.139 0.000 0.997 251 S CA -0.123 58.042 58.200 -0.059 0.000 0.908 251 S CB 0.359 63.550 63.200 -0.016 0.000 0.803 251 S HN 0.593 nan 8.310 nan 0.000 0.504 252 V N 3.810 123.676 119.914 -0.080 0.000 2.439 252 V HA 0.294 4.414 4.120 0.000 0.000 0.282 252 V C 0.032 176.061 176.094 -0.108 0.000 1.039 252 V CA -0.825 61.443 62.300 -0.054 0.000 0.913 252 V CB 0.631 32.483 31.823 0.049 0.000 0.983 252 V HN 0.413 nan 8.190 nan 0.000 0.460 253 H N 2.841 121.936 119.070 0.042 0.000 2.562 253 H HA 0.346 4.902 4.556 0.000 0.000 0.352 253 H C 1.264 176.607 175.328 0.024 0.000 1.125 253 H CA 0.830 56.896 56.048 0.030 0.000 1.379 253 H CB 1.385 31.157 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.658 111.543 108.800 0.141 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 0.059 0.000 1.024 254 G CA -0.161 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 -0.036 121.224 121.223 0.063 0.000 2.326 255 L HA 0.579 4.920 4.340 0.000 0.000 0.278 255 L C 0.464 177.341 176.870 0.012 0.000 1.092 255 L CA -0.823 54.057 54.840 0.067 0.000 0.810 255 L CB 1.577 43.705 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.955 124.871 119.914 0.005 0.000 2.487 256 V HA 0.429 4.549 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 2.126 33.938 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.956 125.061 121.223 -0.197 0.000 2.317 257 L HA 0.808 5.148 4.340 0.000 0.000 0.281 257 L C 0.588 177.322 176.870 -0.227 0.000 1.024 257 L CA -0.321 54.342 54.840 -0.295 0.000 0.810 257 L CB 1.921 43.623 42.059 -0.596 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.744 110.435 108.800 -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 1.156 123.894 122.820 -0.136 0.000 2.488 259 A HA 0.867 5.187 4.320 0.000 0.000 0.298 259 A C -0.452 177.056 177.584 -0.127 0.000 1.044 259 A CA -0.572 51.402 52.037 -0.105 0.000 0.693 259 A CB 1.861 20.801 19.000 -0.100 0.000 1.272 259 A HN 0.785 nan 8.150 nan 0.000 0.402 260 T N 2.433 116.920 114.554 -0.112 0.000 2.886 260 T HA 0.554 4.904 4.350 0.000 0.000 0.292 260 T C -0.576 173.960 174.700 -0.272 0.000 1.012 260 T CA -0.234 61.714 62.100 -0.253 0.000 0.982 260 T CB 1.124 69.763 68.868 -0.382 0.000 1.018 260 T HN 0.508 nan 8.240 nan 0.000 0.451 261 I N 3.007 123.402 120.570 -0.291 0.000 2.359 261 I HA 0.403 4.573 4.170 0.000 0.000 0.294 261 I C -1.071 174.839 176.117 -0.345 0.000 0.987 261 I CA -0.791 60.401 61.300 -0.180 0.000 1.225 261 I CB 1.085 39.096 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.239 126.515 120.300 -0.039 0.000 2.364 262 Y HA 0.492 5.043 4.550 0.000 0.000 0.340 262 Y C -0.296 175.584 175.900 -0.034 0.000 0.975 262 Y CA -0.726 57.352 58.100 -0.037 0.000 1.089 262 Y CB 1.549 39.978 38.460 -0.050 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.269 126.561 121.223 0.115 0.000 2.272 263 L HA 0.461 4.801 4.340 0.000 0.000 0.289 263 L C -0.811 176.096 176.870 0.061 0.000 1.032 263 L CA -0.587 54.293 54.840 0.066 0.000 0.810 263 L CB 0.711 42.794 42.059 0.040 0.000 1.205 263 L HN 0.478 nan 8.230 nan 0.000 0.422 264 I N 2.389 122.982 120.570 0.039 0.000 2.392 264 I HA 0.405 4.575 4.170 0.000 0.000 0.295 264 I C 0.903 177.031 176.117 0.019 0.000 0.985 264 I CA -0.219 61.093 61.300 0.019 0.000 1.221 264 I CB 1.421 39.416 38.000 -0.009 0.000 1.366 264 I HN 0.554 nan 8.210 nan 0.000 0.467 265 G N 3.277 112.089 108.800 0.020 0.000 2.562 265 G HA2 0.184 4.144 3.960 0.000 0.000 0.275 265 G HA3 0.184 4.144 3.960 0.000 0.000 0.275 265 G C 0.445 175.392 174.900 0.078 0.000 1.196 265 G CA -0.345 44.785 45.100 0.051 0.000 0.908 265 G HN 0.592 nan 8.290 nan 0.000 0.524 266 F N 0.686 120.617 119.950 -0.032 0.000 2.192 266 F HA -0.165 4.362 4.527 0.000 0.000 0.301 266 F C 2.158 177.871 175.800 -0.145 0.000 1.079 266 F CA 2.036 59.945 58.000 -0.152 0.000 1.303 266 F CB 0.241 39.028 39.000 -0.356 0.000 1.024 266 F HN 0.436 nan 8.300 nan 0.000 0.494 267 D N -1.038 119.351 120.400 -0.018 0.000 2.325 267 D HA 0.155 4.795 4.640 0.000 0.000 0.225 267 D C 1.779 178.051 176.300 -0.048 0.000 1.096 267 D CA 0.673 54.659 54.000 -0.025 0.000 0.844 267 D CB -0.590 40.361 40.800 0.252 0.000 0.925 267 D HN 0.399 nan 8.370 nan 0.000 0.513 268 G N -0.603 108.147 108.800 -0.083 0.000 2.184 268 G HA2 -0.280 3.680 3.960 0.000 0.000 0.264 268 G HA3 -0.280 3.680 3.960 0.000 0.000 0.264 268 G C 0.474 175.351 174.900 -0.038 0.000 0.975 268 G CA 0.495 45.551 45.100 -0.073 0.000 0.642 268 G HN 0.512 nan 8.290 nan 0.000 0.536 269 T N 1.682 116.236 114.554 -0.001 0.000 2.910 269 T HA 0.505 4.855 4.350 0.000 0.000 0.293 269 T C 0.712 175.417 174.700 0.010 0.000 1.015 269 T CA 0.627 62.734 62.100 0.013 0.000 1.094 269 T CB 0.836 69.734 68.868 0.050 0.000 0.968 269 T HN 0.196 nan 8.240 nan 0.000 0.521 270 T N 3.616 118.179 114.554 0.014 0.000 2.769 270 T HA 0.150 4.500 4.350 0.000 0.000 0.293 270 T C 1.463 176.190 174.700 0.045 0.000 0.931 270 T CA -0.473 61.656 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 4.111 124.047 119.914 0.036 0.000 2.492 271 V HA 0.269 4.389 4.120 0.000 0.000 0.241 271 V C 0.709 176.817 176.094 0.024 0.000 1.041 271 V CA 0.913 63.219 62.300 0.010 0.000 1.057 271 V CB -0.028 31.785 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 0.431 4.601 4.170 0.000 0.000 0.292 272 I C -0.581 175.553 176.117 0.027 0.000 1.100 272 I CA -0.060 61.255 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 0.047 nan 8.210 nan 0.000 0.420 273 T N 5.700 120.243 114.554 -0.018 0.000 2.840 273 T HA 0.578 4.928 4.350 0.000 0.000 0.287 273 T C -0.999 173.600 174.700 -0.169 0.000 0.991 273 T CA -0.667 61.349 62.100 -0.139 0.000 0.964 273 T CB 0.697 69.527 68.868 -0.064 0.000 0.954 273 T HN 0.417 nan 8.240 nan 0.000 0.438 274 R N 3.320 123.678 120.500 -0.237 0.000 2.483 274 R HA 0.598 4.938 4.340 0.000 0.000 0.303 274 R C -0.284 175.891 176.300 -0.208 0.000 0.987 274 R CA -0.689 55.310 56.100 -0.168 0.000 0.881 274 R CB 1.540 31.781 30.300 -0.098 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.793 125.508 122.820 -0.176 0.000 2.491 275 A HA 0.188 4.508 4.320 0.000 0.000 0.261 275 A C 1.086 178.564 177.584 -0.177 0.000 1.101 275 A CA -0.186 51.748 52.037 -0.172 0.000 0.772 275 A CB 0.364 19.287 19.000 -0.129 0.000 1.043 275 A HN 0.526 nan 8.150 nan 0.000 0.501 276 V N 1.997 121.777 119.914 -0.223 0.000 2.949 276 V HA 0.349 4.469 4.120 0.000 0.000 0.245 276 V C 1.111 177.019 176.094 -0.310 0.000 1.086 276 V CA 1.705 63.810 62.300 -0.325 0.000 1.097 276 V CB -0.142 31.360 31.823 -0.536 0.000 0.762 276 V HN 1.189 nan 8.190 nan 0.000 0.470 277 A N -0.276 122.398 122.820 -0.243 0.000 2.485 277 A HA 0.818 5.139 4.320 0.000 0.000 0.285 277 A C -0.714 176.773 177.584 -0.161 0.000 1.045 277 A CA 0.208 52.127 52.037 -0.197 0.000 0.792 277 A CB 1.053 19.923 19.000 -0.217 0.000 1.307 277 A HN 0.411 nan 8.150 nan 0.000 0.406 278 A N 2.267 125.012 122.820 -0.126 0.000 2.337 278 A HA 0.789 5.109 4.320 0.000 0.000 0.331 278 A C 0.342 177.872 177.584 -0.091 0.000 1.137 278 A CA -0.118 51.858 52.037 -0.101 0.000 0.807 278 A CB 0.315 19.268 19.000 -0.080 0.000 1.250 278 A HN 2.299 nan 8.150 nan 0.000 0.468 279 N N 1.012 119.664 118.700 -0.079 0.000 2.558 279 N HA -0.226 4.515 4.740 0.000 0.000 0.302 279 N C -0.901 174.562 175.510 -0.079 0.000 1.322 279 N CA 1.036 54.046 53.050 -0.067 0.000 0.687 279 N CB -0.374 38.087 38.487 -0.044 0.000 0.992 279 N HN 0.776 nan 8.380 nan 0.000 0.524 280 N N 2.525 121.165 118.700 -0.099 0.000 2.621 280 N HA 0.309 5.049 4.740 0.000 0.000 0.271 280 N C -0.372 175.070 175.510 -0.114 0.000 1.181 280 N CA 0.147 53.129 53.050 -0.113 0.000 0.805 280 N CB 1.012 39.403 38.487 -0.160 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.353 111.111 108.800 -0.070 0.000 2.398 281 G HA2 0.366 4.326 3.960 0.000 0.000 0.246 281 G HA3 0.366 4.326 3.960 0.000 0.000 0.246 281 G C -0.023 174.845 174.900 -0.054 0.000 1.289 281 G CA -0.117 44.953 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.897 123.094 121.223 -0.044 0.000 2.295 282 L HA 0.348 4.689 4.340 0.000 0.000 0.285 282 L C 0.431 177.307 176.870 0.009 0.000 1.035 282 L CA -0.700 54.123 54.840 -0.029 0.000 0.806 282 L CB 1.736 43.772 42.059 -0.039 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.685 115.250 114.554 0.019 0.000 2.882 283 T HA 0.222 4.572 4.350 0.000 0.000 0.287 283 T C 0.323 175.031 174.700 0.013 0.000 0.992 283 T CA -0.459 61.659 62.100 0.031 0.000 1.076 283 T CB 1.271 70.161 68.868 0.037 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.267 116.811 114.554 -0.016 0.000 2.919 284 T HA 0.420 4.770 4.350 0.000 0.000 0.302 284 T C 1.440 176.138 174.700 -0.005 0.000 1.031 284 T CA 0.691 62.747 62.100 -0.074 0.000 1.127 284 T CB 0.448 69.171 68.868 -0.241 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.836 111.637 108.800 0.002 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 0.201 175.119 174.900 0.030 0.000 1.012 285 G CA 0.385 45.498 45.100 0.021 0.000 0.749 285 G HN 0.913 nan 8.290 nan 0.000 0.512 286 T N -0.224 114.352 114.554 0.036 0.000 2.883 286 T HA 0.489 4.839 4.350 0.000 0.000 0.301 286 T C -0.885 173.845 174.700 0.050 0.000 1.158 286 T CA -0.846 61.278 62.100 0.039 0.000 1.007 286 T CB 1.874 70.763 68.868 0.036 0.000 1.186 286 T HN 0.073 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 0.173 4.813 4.640 0.000 0.000 0.247 287 D C -0.316 176.022 176.300 0.063 0.000 1.147 287 D CA 0.309 54.342 54.000 0.055 0.000 0.879 287 D CB 0.348 41.172 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.696 120.454 118.700 0.096 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 52.632 53.050 0.099 0.000 0.938 288 N CB 1.282 39.825 38.487 0.093 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.728 123.006 121.223 0.091 0.000 2.326 289 L HA 0.460 4.800 4.340 0.000 0.000 0.278 289 L C 0.104 177.036 176.870 0.104 0.000 1.092 289 L CA -0.171 54.726 54.840 0.095 0.000 0.810 289 L CB 0.904 42.998 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.604 125.295 119.600 0.152 0.000 1.987 290 M HA 0.397 4.877 4.480 0.000 0.000 0.298 290 M C -2.618 173.755 176.300 0.121 0.000 0.892 290 M CA -1.608 53.758 55.300 0.111 0.000 0.885 290 M CB 1.602 34.340 32.600 0.230 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.324 nan 4.420 nan 0.000 0.276 291 P C -1.355 175.952 177.300 0.011 0.000 1.244 291 P CA -0.040 63.125 63.100 0.108 0.000 0.801 291 P CB 0.506 32.234 31.700 0.046 0.000 1.006 292 F N 1.328 121.293 119.950 0.024 0.000 2.427 292 F HA 0.371 4.898 4.527 0.000 0.000 0.348 292 F C 0.773 176.586 175.800 0.021 0.000 1.125 292 F CA -0.141 57.874 58.000 0.024 0.000 0.989 292 F CB 0.972 39.994 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.345 124.105 118.700 0.100 0.000 2.679 293 N HA 0.248 4.988 4.740 0.000 0.000 0.302 293 N C -1.120 174.427 175.510 0.062 0.000 1.941 293 N CA -0.053 53.042 53.050 0.075 0.000 0.875 293 N CB 1.122 39.629 38.487 0.033 0.000 1.278 293 N HN 0.436 nan 8.380 nan 0.000 0.490 294 L N 0.917 122.198 121.223 0.096 0.000 2.289 294 L HA 0.542 4.882 4.340 0.000 0.000 0.285 294 L C -0.037 176.881 176.870 0.080 0.000 1.049 294 L CA -0.785 54.099 54.840 0.074 0.000 0.804 294 L CB 1.739 43.854 42.059 0.093 0.000 1.195 294 L HN -0.205 nan 8.230 nan 0.000 0.428 295 V N 4.818 124.771 119.914 0.065 0.000 2.444 295 V HA 0.393 4.513 4.120 0.000 0.000 0.294 295 V C -0.258 175.875 176.094 0.064 0.000 1.022 295 V CA -0.377 61.972 62.300 0.081 0.000 0.850 295 V CB 2.122 33.991 31.823 0.075 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.529 129.145 120.570 0.076 0.000 2.328 296 I HA 0.422 4.592 4.170 0.000 0.000 0.287 296 I C -2.125 174.032 176.117 0.067 0.000 1.012 296 I CA -1.872 59.462 61.300 0.057 0.000 1.195 296 I CB 1.946 39.974 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.139 nan 4.420 nan 0.000 0.274 297 P C 0.644 177.969 177.300 0.042 0.000 1.231 297 P CA -0.230 62.897 63.100 0.045 0.000 0.790 297 P CB 0.805 32.522 31.700 0.028 0.000 0.951 298 T N 1.048 115.628 114.554 0.044 0.000 2.653 298 T HA -0.198 4.152 4.350 0.000 0.000 0.268 298 T C 1.608 176.324 174.700 0.025 0.000 1.035 298 T CA 2.115 64.239 62.100 0.039 0.000 1.154 298 T CB -0.911 67.982 68.868 0.043 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.364 120.078 118.700 0.023 0.000 2.443 299 N HA -0.152 4.588 4.740 0.000 0.000 0.184 299 N C 1.394 176.914 175.510 0.017 0.000 1.037 299 N CA 1.000 54.062 53.050 0.020 0.000 0.896 299 N CB -0.212 38.286 38.487 0.019 0.000 0.959 299 N HN 0.509 nan 8.380 nan 0.000 0.442 300 E N 0.196 120.405 120.200 0.016 0.000 2.371 300 E HA 0.153 4.503 4.350 0.000 0.000 0.194 300 E C 0.172 176.774 176.600 0.003 0.000 1.012 300 E CA 0.093 56.500 56.400 0.012 0.000 0.860 300 E CB 0.207 29.915 29.700 0.013 0.000 0.811 300 E HN 0.440 nan 8.360 nan 0.000 0.502 301 I N 2.358 122.927 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 0.000 0.000 0.297 301 I C 1.400 177.490 176.117 -0.045 0.000 1.143 301 I CA -0.058 61.230 61.300 -0.021 0.000 1.271 301 I CB 0.711 38.704 38.000 -0.013 0.000 1.461 301 I HN 0.034 nan 8.210 nan 0.000 0.530 302 T N 1.605 116.119 114.554 -0.067 0.000 3.055 302 T HA -0.004 4.346 4.350 0.000 0.000 0.265 302 T C 0.523 175.066 174.700 -0.262 0.000 1.111 302 T CA 0.298 62.349 62.100 -0.081 0.000 1.118 302 T CB -0.076 68.770 68.868 -0.035 0.000 0.909 302 T HN 0.694 nan 8.240 nan 0.000 0.501 303 Q N -0.588 118.996 119.800 -0.360 0.000 2.522 303 Q HA 0.549 4.889 4.340 0.000 0.000 0.285 303 Q C -3.482 172.392 176.000 -0.209 0.000 0.982 303 Q CA -2.564 52.898 55.803 -0.569 0.000 0.805 303 Q CB 0.810 28.733 28.738 -1.358 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.019 nan 4.420 nan 0.000 0.261 304 P C -0.594 176.737 177.300 0.051 0.000 1.173 304 P CA 0.218 63.344 63.100 0.042 0.000 0.760 304 P CB 0.253 32.068 31.700 0.193 0.000 0.783 305 I N 3.137 123.729 120.570 0.036 0.000 2.441 305 I HA 0.077 4.247 4.170 0.000 0.000 0.287 305 I C 1.526 177.683 176.117 0.065 0.000 1.049 305 I CA 0.669 61.993 61.300 0.040 0.000 1.381 305 I CB 0.424 38.439 38.000 0.025 0.000 1.409 305 I HN 0.349 nan 8.210 nan 0.000 0.523 306 T N 3.275 117.867 114.554 0.063 0.000 2.954 306 T HA 0.130 4.480 4.350 0.000 0.000 0.252 306 T C 0.439 175.148 174.700 0.015 0.000 0.983 306 T CA 0.285 62.429 62.100 0.072 0.000 0.941 306 T CB 0.360 69.306 68.868 0.132 0.000 1.141 306 T HN 0.805 nan 8.240 nan 0.000 0.500 307 S N 0.110 115.808 115.700 -0.004 0.000 2.588 307 S HA 0.722 5.192 4.470 0.000 0.000 0.269 307 S C -1.491 173.102 174.600 -0.012 0.000 1.157 307 S CA -0.942 57.242 58.200 -0.026 0.000 0.824 307 S CB 1.849 65.036 63.200 -0.022 0.000 1.126 307 S HN 0.273 nan 8.310 nan 0.000 0.464 308 I N 1.213 121.782 120.570 -0.003 0.000 2.545 308 I HA 0.712 4.882 4.170 0.000 0.000 0.292 308 I C -1.341 174.766 176.117 -0.018 0.000 1.040 308 I CA -0.699 60.614 61.300 0.023 0.000 1.068 308 I CB 1.747 39.781 38.000 0.058 0.000 1.251 308 I HN 1.017 nan 8.210 nan 0.000 0.424 309 K N 6.358 126.710 120.400 -0.079 0.000 2.477 309 K HA 0.660 4.980 4.320 0.000 0.000 0.255 309 K C -2.028 174.397 176.600 -0.292 0.000 0.952 309 K CA -0.967 55.150 56.287 -0.284 0.000 0.826 309 K CB 2.441 34.845 32.500 -0.159 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.108 121.976 121.223 -0.592 0.000 2.349 310 L HA 0.437 4.777 4.340 0.000 0.000 0.278 310 L C -1.186 175.620 176.870 -0.107 0.000 0.996 310 L CA -0.002 54.660 54.840 -0.296 0.000 0.825 310 L CB 1.765 43.606 42.059 -0.364 0.000 1.243 310 L HN 0.778 nan 8.230 nan 0.000 0.412 311 E N 5.142 125.382 120.200 0.067 0.000 2.214 311 E HA 0.574 4.924 4.350 0.000 0.000 0.274 311 E C -1.139 175.507 176.600 0.076 0.000 0.977 311 E CA -0.614 55.846 56.400 0.101 0.000 0.827 311 E CB 2.330 32.155 29.700 0.209 0.000 1.130 311 E HN 0.541 nan 8.360 nan 0.000 0.394 312 I N 2.255 122.871 120.570 0.077 0.000 2.466 312 I HA 0.260 4.430 4.170 0.000 0.000 0.289 312 I C -0.788 175.342 176.117 0.021 0.000 1.026 312 I CA -1.005 60.312 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 0.170 nan 8.210 nan 0.000 0.429 313 V N 4.213 124.114 119.914 -0.022 0.000 2.427 313 V HA 0.490 4.610 4.120 0.000 0.000 0.286 313 V C 0.025 176.105 176.094 -0.024 0.000 1.034 313 V CA -0.402 61.897 62.300 -0.001 0.000 0.893 313 V CB 1.483 33.308 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.690 118.269 114.554 0.041 0.000 2.809 314 T HA 0.656 5.006 4.350 0.000 0.000 0.284 314 T C -0.132 174.656 174.700 0.147 0.000 0.992 314 T CA -0.518 61.641 62.100 0.097 0.000 0.957 314 T CB 1.390 70.377 68.868 0.199 0.000 0.942 314 T HN 0.931 nan 8.240 nan 0.000 0.439 315 S N 2.627 118.406 115.700 0.131 0.000 2.627 315 S HA 0.783 5.253 4.470 0.000 0.000 0.283 315 S C -1.212 173.496 174.600 0.180 0.000 1.127 315 S CA -1.128 57.181 58.200 0.181 0.000 0.863 315 S CB 2.344 65.625 63.200 0.134 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 0.567 4.887 4.320 0.000 0.000 0.251 316 K C 0.659 177.281 176.600 0.037 0.000 0.934 316 K CA -0.660 55.684 56.287 0.096 0.000 0.802 316 K CB 1.837 34.340 32.500 0.005 0.000 1.171 316 K HN 0.641 nan 8.250 nan 0.000 0.426 317 S N 1.239 116.944 115.700 0.008 0.000 2.354 317 S HA -0.165 4.306 4.470 0.000 0.000 0.219 317 S C 1.525 176.096 174.600 -0.048 0.000 1.035 317 S CA 1.615 59.813 58.200 -0.004 0.000 1.037 317 S CB -0.362 62.837 63.200 -0.001 0.000 0.956 317 S HN 0.890 nan 8.310 nan 0.000 0.428 318 G N 0.538 109.280 108.800 -0.096 0.000 2.707 318 G HA2 0.375 4.335 3.960 0.000 0.000 0.204 318 G HA3 0.375 4.335 3.960 0.000 0.000 0.204 318 G C 0.580 175.302 174.900 -0.297 0.000 1.435 318 G CA 0.429 45.444 45.100 -0.141 0.000 0.890 318 G HN 1.300 nan 8.290 nan 0.000 0.552 319 G N -2.399 106.100 108.800 -0.502 0.000 2.788 319 G HA2 0.294 4.255 3.960 0.000 0.000 0.686 319 G HA3 0.294 4.255 3.960 0.000 0.000 0.686 319 G C -0.759 173.847 174.900 -0.490 0.000 1.147 319 G CA 0.170 44.590 45.100 -1.133 0.000 0.755 319 G HN 0.720 nan 8.290 nan 0.000 0.634 320 Q N -0.503 119.126 119.800 -0.286 0.000 2.870 320 Q HA 0.794 5.134 4.340 0.000 0.000 0.366 320 Q C 1.496 177.617 176.000 0.201 0.000 0.738 320 Q CA 0.052 55.872 55.803 0.027 0.000 0.870 320 Q CB 0.616 29.344 28.738 -0.016 0.000 1.237 320 Q HN 1.483 nan 8.270 nan 0.000 0.497 321 A N 0.393 123.283 122.820 0.117 0.000 1.889 321 A HA 0.230 4.550 4.320 0.000 0.000 0.209 321 A C 0.854 178.506 177.584 0.113 0.000 1.315 321 A CA 1.470 53.571 52.037 0.107 0.000 0.611 321 A CB -1.260 17.775 19.000 0.059 0.000 0.950 321 A HN 0.508 nan 8.150 nan 0.000 0.477 322 G N -0.974 107.868 108.800 0.069 0.000 2.350 322 G HA2 0.457 4.417 3.960 0.000 0.000 0.306 322 G HA3 0.457 4.417 3.960 0.000 0.000 0.306 322 G C -0.576 174.357 174.900 0.054 0.000 1.094 322 G CA -0.049 45.085 45.100 0.057 0.000 0.953 322 G HN 0.321 nan 8.290 nan 0.000 0.420 323 D N 0.632 121.079 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 0.000 0.000 0.242 323 D C 0.345 176.677 176.300 0.052 0.000 1.106 323 D CA 0.185 54.219 54.000 0.057 0.000 0.854 323 D CB 0.355 41.185 40.800 0.051 0.000 1.192 323 D HN 0.342 nan 8.370 nan 0.000 0.503 324 Q N 0.779 120.610 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 0.000 0.000 0.262 324 Q C -0.342 175.679 176.000 0.034 0.000 1.328 324 Q CA 0.780 56.590 55.803 0.011 0.000 0.794 324 Q CB -1.424 27.303 28.738 -0.019 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.023 120.661 119.600 0.063 0.000 2.157 325 M HA 0.539 5.019 4.480 0.000 0.000 0.354 325 M C 0.279 176.632 176.300 0.087 0.000 1.170 325 M CA -0.433 54.953 55.300 0.143 0.000 1.060 325 M CB 1.797 34.566 32.600 0.283 0.000 1.615 325 M HN 0.483 nan 8.290 nan 0.000 0.460 326 S N 3.052 118.822 115.700 0.115 0.000 2.541 326 S HA 0.865 5.335 4.470 0.000 0.000 0.280 326 S C -1.458 173.275 174.600 0.222 0.000 1.112 326 S CA -0.837 57.388 58.200 0.041 0.000 0.925 326 S CB 1.737 64.911 63.200 -0.044 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.201 121.686 121.300 0.308 0.000 3.118 327 W HA 0.722 5.382 4.660 0.000 0.000 0.328 327 W C -1.224 175.427 176.519 0.221 0.000 1.239 327 W CA -0.875 56.617 57.345 0.244 0.000 1.176 327 W CB 1.254 30.875 29.460 0.269 0.000 1.433 327 W HN 0.707 nan 8.180 nan 0.000 0.562 328 S N 1.062 117.120 115.700 0.597 0.000 2.509 328 S HA 0.807 5.277 4.470 0.000 0.000 0.297 328 S C -0.724 174.154 174.600 0.462 0.000 1.118 328 S CA -0.224 58.224 58.200 0.414 0.000 1.074 328 S CB 1.008 64.328 63.200 0.199 0.000 1.038 328 S HN 0.833 nan 8.310 nan 0.000 0.498 329 A N 4.456 127.495 122.820 0.365 0.000 2.414 329 A HA 0.872 5.192 4.320 0.000 0.000 0.306 329 A C -0.607 176.962 177.584 -0.024 0.000 1.054 329 A CA -0.782 51.236 52.037 -0.032 0.000 0.724 329 A CB 1.448 20.401 19.000 -0.078 0.000 1.267 329 A HN 0.745 nan 8.150 nan 0.000 0.418 330 R N 0.760 121.158 120.500 -0.172 0.000 2.651 330 R HA 0.683 5.023 4.340 0.000 0.000 0.278 330 R C -0.581 175.644 176.300 -0.125 0.000 1.010 330 R CA 0.338 56.387 56.100 -0.085 0.000 0.896 330 R CB 2.193 32.466 30.300 -0.045 0.000 1.211 330 R HN 2.078 nan 8.270 nan 0.000 0.456 331 G N 0.912 109.659 108.800 -0.089 0.000 2.333 331 G HA2 0.093 4.054 3.960 0.000 0.000 0.330 331 G HA3 0.093 4.054 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 -0.638 44.407 45.100 -0.092 0.000 0.996 331 G HN 0.568 nan 8.290 nan 0.000 0.655 332 S N -0.544 115.084 115.700 -0.121 0.000 2.566 332 S HA 0.882 5.352 4.470 0.000 0.000 0.298 332 S C -0.279 174.205 174.600 -0.193 0.000 1.083 332 S CA -0.961 57.139 58.200 -0.166 0.000 0.978 332 S CB 2.088 65.209 63.200 -0.131 0.000 1.073 332 S HN 0.770 nan 8.310 nan 0.000 0.491 333 L N 0.913 121.982 121.223 -0.256 0.000 2.319 333 L HA 0.886 5.226 4.340 0.000 0.000 0.267 333 L C -0.260 176.520 176.870 -0.150 0.000 1.011 333 L CA -1.131 53.552 54.840 -0.262 0.000 0.818 333 L CB 1.780 43.599 42.059 -0.399 0.000 1.316 333 L HN 0.845 nan 8.230 nan 0.000 0.432 334 A N 1.671 124.439 122.820 -0.086 0.000 2.330 334 A HA 0.720 5.040 4.320 0.000 0.000 0.313 334 A C -0.889 176.701 177.584 0.010 0.000 1.124 334 A CA -0.472 51.549 52.037 -0.027 0.000 0.774 334 A CB 1.491 20.481 19.000 -0.016 0.000 1.198 334 A HN 0.369 nan 8.150 nan 0.000 0.465 335 V N 2.828 122.778 119.914 0.060 0.000 2.328 335 V HA 0.406 4.526 4.120 0.000 0.000 0.278 335 V C 0.108 176.251 176.094 0.081 0.000 1.021 335 V CA -0.224 62.132 62.300 0.093 0.000 0.838 335 V CB 1.186 33.099 31.823 0.150 0.000 0.999 335 V HN 0.871 nan 8.190 nan 0.000 0.447 336 T N 7.016 121.558 114.554 -0.020 0.000 2.743 336 T HA 0.486 4.837 4.350 0.000 0.000 0.292 336 T C -0.028 174.526 174.700 -0.244 0.000 0.972 336 T CA -0.152 61.876 62.100 -0.120 0.000 0.967 336 T CB 0.670 69.448 68.868 -0.149 0.000 0.926 336 T HN 0.617 nan 8.240 nan 0.000 0.459 337 I N 1.846 122.326 120.570 -0.150 0.000 2.312 337 I HA 0.407 4.577 4.170 0.000 0.000 0.290 337 I C -0.250 175.782 176.117 -0.141 0.000 1.008 337 I CA -0.803 60.406 61.300 -0.152 0.000 1.226 337 I CB 0.688 38.704 38.000 0.026 0.000 1.371 337 I HN 0.547 nan 8.210 nan 0.000 0.468 338 H N 5.355 124.450 119.070 0.043 0.000 2.886 338 H HA 0.132 4.688 4.556 0.000 0.000 0.329 338 H C 1.478 176.818 175.328 0.020 0.000 1.044 338 H CA 1.061 57.125 56.048 0.027 0.000 1.456 338 H CB 0.864 30.638 29.762 0.021 0.000 1.464 338 H HN 1.027 nan 8.280 nan 0.000 0.573 339 G N 2.678 111.558 108.800 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 1.554 176.505 174.900 0.085 0.000 0.989 339 G CA 0.840 45.988 45.100 0.080 0.000 0.692 339 G HN 0.868 nan 8.290 nan 0.000 0.526 340 G N 0.124 108.963 108.800 0.065 0.000 2.450 340 G HA2 -0.190 3.770 3.960 0.000 0.000 0.220 340 G HA3 -0.190 3.770 3.960 0.000 0.000 0.220 340 G C 1.329 176.260 174.900 0.053 0.000 1.130 340 G CA 1.304 46.437 45.100 0.055 0.000 0.760 340 G HN 0.519 nan 8.290 nan 0.000 0.557 341 N N -0.864 117.861 118.700 0.041 0.000 2.336 341 N HA 0.062 4.802 4.740 0.000 0.000 0.189 341 N C -0.280 175.257 175.510 0.046 0.000 1.113 341 N CA -0.474 52.587 53.050 0.018 0.000 0.858 341 N CB -0.112 38.363 38.487 -0.020 0.000 0.970 341 N HN 0.429 nan 8.380 nan 0.000 0.471 342 Y N 2.693 122.976 120.300 -0.029 0.000 2.605 342 Y HA 0.144 4.694 4.550 0.000 0.000 0.336 342 Y C -2.106 173.770 175.900 -0.040 0.000 1.111 342 Y CA -2.022 56.056 58.100 -0.037 0.000 1.422 342 Y CB 0.500 38.930 38.460 -0.049 0.000 1.193 342 Y HN 0.004 nan 8.280 nan 0.000 0.526 343 P HA 0.080 nan 4.420 nan 0.000 0.260 343 P C 0.527 177.750 177.300 -0.127 0.000 1.185 343 P CA 1.946 64.898 63.100 -0.247 0.000 0.763 343 P CB 0.491 31.994 31.700 -0.329 0.000 0.776 344 G N 3.263 112.080 108.800 0.027 0.000 2.313 344 G HA2 -0.299 3.661 3.960 0.000 0.000 0.215 344 G HA3 -0.299 3.661 3.960 0.000 0.000 0.215 344 G C 1.209 176.226 174.900 0.196 0.000 1.023 344 G CA 0.332 45.510 45.100 0.129 0.000 0.626 344 G HN 0.612 nan 8.290 nan 0.000 0.503 345 A N -0.211 122.708 122.820 0.164 0.000 1.969 345 A HA 0.539 4.859 4.320 0.000 0.000 0.218 345 A C 2.186 179.891 177.584 0.202 0.000 1.169 345 A CA 2.042 54.137 52.037 0.098 0.000 0.635 345 A CB -0.195 18.841 19.000 0.061 0.000 0.810 345 A HN 0.978 nan 8.150 nan 0.000 0.445 346 L N -3.777 117.548 121.223 0.170 0.000 3.316 346 L HA 0.202 4.542 4.340 0.000 0.000 0.300 346 L C 2.056 179.055 176.870 0.215 0.000 1.128 346 L CA 0.195 55.133 54.840 0.164 0.000 1.111 346 L CB 0.068 42.205 42.059 0.129 0.000 1.687 346 L HN 0.295 nan 8.230 nan 0.000 0.594 347 R N 1.739 122.334 120.500 0.159 0.000 2.072 347 R HA 0.078 4.418 4.340 0.000 0.000 0.221 347 R C -1.769 174.597 176.300 0.110 0.000 1.166 347 R CA 0.699 56.858 56.100 0.098 0.000 0.917 347 R CB -0.907 29.406 30.300 0.021 0.000 0.815 347 R HN 0.020 nan 8.270 nan 0.000 0.444 348 P HA 0.122 nan 4.420 nan 0.000 0.275 348 P C -1.301 176.112 177.300 0.188 0.000 1.227 348 P CA 0.146 63.294 63.100 0.081 0.000 0.781 348 P CB 1.507 33.233 31.700 0.043 0.000 0.906 349 V N 3.323 123.353 119.914 0.193 0.000 2.588 349 V HA 0.388 4.508 4.120 0.000 0.000 0.304 349 V C 0.084 176.254 176.094 0.126 0.000 1.042 349 V CA -0.287 62.120 62.300 0.179 0.000 0.877 349 V CB 2.240 34.188 31.823 0.208 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.041 120.642 114.554 0.078 0.000 2.770 350 T HA 0.629 4.979 4.350 0.000 0.000 0.283 350 T C -0.614 174.118 174.700 0.054 0.000 0.988 350 T CA -0.280 61.876 62.100 0.093 0.000 0.957 350 T CB 0.914 69.861 68.868 0.131 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.103 125.331 121.223 0.008 0.000 2.282 351 L HA 0.553 4.893 4.340 0.000 0.000 0.288 351 L C -0.350 176.527 176.870 0.011 0.000 1.033 351 L CA -0.421 54.385 54.840 -0.057 0.000 0.807 351 L CB 1.684 43.677 42.059 -0.110 0.000 1.209 351 L HN 0.383 nan 8.230 nan 0.000 0.423 352 V N 3.425 123.355 119.914 0.027 0.000 2.326 352 V HA 0.749 4.869 4.120 0.000 0.000 0.281 352 V C 0.093 176.264 176.094 0.130 0.000 1.015 352 V CA -0.670 61.694 62.300 0.107 0.000 0.823 352 V CB 1.258 33.207 31.823 0.211 0.000 1.009 352 V HN 0.829 nan 8.190 nan 0.000 0.436 353 A N 5.568 128.461 122.820 0.122 0.000 2.317 353 A HA 0.915 5.235 4.320 0.000 0.000 0.327 353 A C -0.897 176.921 177.584 0.390 0.000 1.178 353 A CA -0.483 51.662 52.037 0.179 0.000 0.817 353 A CB 0.846 19.926 19.000 0.133 0.000 1.189 353 A HN 0.978 nan 8.150 nan 0.000 0.489 354 Y N -0.020 120.475 120.300 0.325 0.000 2.524 354 Y HA 0.794 5.344 4.550 0.000 0.000 0.344 354 Y C -0.310 175.658 175.900 0.113 0.000 1.012 354 Y CA -0.944 57.317 58.100 0.267 0.000 1.068 354 Y CB 1.362 39.916 38.460 0.157 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.813 121.028 120.200 0.025 0.000 2.430 355 E HA 0.566 4.916 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 -1.287 55.008 56.400 -0.175 0.000 0.801 355 E CB 1.520 30.881 29.700 -0.566 0.000 1.313 355 E HN 0.581 nan 8.360 nan 0.000 0.459 356 R N -0.900 119.565 120.500 -0.058 0.000 3.989 356 R HA -0.102 4.238 4.340 0.000 0.000 0.377 356 R C -0.443 175.872 176.300 0.024 0.000 1.158 356 R CA 0.856 56.939 56.100 -0.028 0.000 1.035 356 R CB -2.822 27.444 30.300 -0.058 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.412 121.375 119.914 0.082 0.000 2.614 357 V HA 0.436 4.556 4.120 0.000 0.000 0.291 357 V C 1.452 177.580 176.094 0.058 0.000 1.049 357 V CA -0.040 62.307 62.300 0.077 0.000 1.038 357 V CB 1.530 33.417 31.823 0.108 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.880 126.719 122.820 0.031 0.000 2.511 358 A HA 0.323 4.643 4.320 0.000 0.000 0.242 358 A C 0.766 178.369 177.584 0.031 0.000 1.069 358 A CA -0.002 52.050 52.037 0.024 0.000 0.763 358 A CB -0.301 18.707 19.000 0.013 0.000 1.001 358 A HN 0.865 nan 8.150 nan 0.000 0.498 359 T N 1.864 116.437 114.554 0.031 0.000 2.908 359 T HA 0.402 4.752 4.350 0.000 0.000 0.301 359 T C 1.544 176.260 174.700 0.026 0.000 1.019 359 T CA 1.608 63.730 62.100 0.036 0.000 1.152 359 T CB 0.415 69.299 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 0.379 175.285 174.900 0.009 0.000 0.984 360 G CA 0.114 45.225 45.100 0.019 0.000 0.633 360 G HN 1.133 nan 8.290 nan 0.000 0.525 361 S N -0.696 115.006 115.700 0.004 0.000 2.632 361 S HA 0.719 5.189 4.470 0.000 0.000 0.267 361 S C 0.145 174.724 174.600 -0.034 0.000 1.276 361 S CA -0.264 57.928 58.200 -0.014 0.000 0.998 361 S CB 2.489 65.679 63.200 -0.017 0.000 0.953 361 S HN 0.985 nan 8.310 nan 0.000 0.547 362 V N 1.900 121.787 119.914 -0.045 0.000 2.394 362 V HA 0.353 4.473 4.120 0.000 0.000 0.282 362 V C -0.267 175.763 176.094 -0.105 0.000 1.031 362 V CA -0.756 61.507 62.300 -0.062 0.000 0.881 362 V CB 1.307 33.107 31.823 -0.038 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.608 124.420 119.914 -0.169 0.000 2.364 363 V HA 0.310 4.430 4.120 0.000 0.000 0.272 363 V C 0.475 176.486 176.094 -0.138 0.000 1.036 363 V CA -0.090 62.078 62.300 -0.221 0.000 0.880 363 V CB 1.645 33.202 31.823 -0.444 0.000 0.991 363 V HN 0.969 nan 8.190 nan 0.000 0.460 364 T N 5.286 119.795 114.554 -0.075 0.000 2.767 364 T HA 0.530 4.880 4.350 0.000 0.000 0.288 364 T C -0.229 174.481 174.700 0.015 0.000 0.963 364 T CA -0.270 61.817 62.100 -0.022 0.000 1.019 364 T CB 1.411 70.271 68.868 -0.014 0.000 0.923 364 T HN 0.333 nan 8.240 nan 0.000 0.468 365 V N 2.666 122.619 119.914 0.066 0.000 2.459 365 V HA 0.834 4.954 4.120 0.000 0.000 0.295 365 V C -0.084 176.077 176.094 0.112 0.000 1.029 365 V CA -0.816 61.562 62.300 0.129 0.000 0.874 365 V CB 1.408 33.369 31.823 0.230 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.408 126.272 122.820 0.073 0.000 2.398 366 A HA 0.971 5.291 4.320 0.000 0.000 0.301 366 A C -0.168 177.425 177.584 0.016 0.000 1.041 366 A CA -0.012 52.049 52.037 0.041 0.000 0.711 366 A CB 1.893 20.902 19.000 0.016 0.000 1.240 366 A HN 1.210 nan 8.150 nan 0.000 0.420 367 G N -0.320 108.494 108.800 0.022 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 -1.784 173.121 174.900 0.008 0.000 1.410 367 G CA -0.556 44.536 45.100 -0.013 0.000 0.844 367 G HN 1.128 nan 8.290 nan 0.000 0.478 368 V N 0.269 120.174 119.914 -0.015 0.000 2.638 368 V HA 0.689 4.809 4.120 0.000 0.000 0.306 368 V C -0.261 175.814 176.094 -0.031 0.000 1.052 368 V CA -0.709 61.592 62.300 0.002 0.000 0.885 368 V CB 1.915 33.737 31.823 -0.001 0.000 0.999 368 V HN 0.759 nan 8.190 nan 0.000 0.424 369 S N 4.093 119.784 115.700 -0.015 0.000 2.482 369 S HA 0.582 5.052 4.470 0.000 0.000 0.303 369 S C -0.649 173.758 174.600 -0.323 0.000 1.091 369 S CA -0.812 57.281 58.200 -0.179 0.000 1.057 369 S CB 1.196 64.362 63.200 -0.056 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.699 120.081 118.700 -0.529 0.000 2.321 370 N HA 0.610 5.351 4.740 0.000 0.000 0.299 370 N C -1.499 173.645 175.510 -0.610 0.000 1.048 370 N CA -0.229 52.601 53.050 -0.368 0.000 0.836 370 N CB 1.401 39.805 38.487 -0.138 0.000 1.269 370 N HN 0.404 nan 8.380 nan 0.000 0.486 371 F N 0.015 119.984 119.950 0.032 0.000 2.576 371 F HA 0.334 4.861 4.527 0.000 0.000 0.313 371 F C 0.493 176.299 175.800 0.011 0.000 1.078 371 F CA -0.876 57.126 58.000 0.002 0.000 0.921 371 F CB 1.899 40.872 39.000 -0.044 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.950 123.255 120.200 0.174 0.000 2.227 372 E HA 0.607 4.957 4.350 0.000 0.000 0.282 372 E C -1.152 175.581 176.600 0.221 0.000 1.015 372 E CA -0.432 56.052 56.400 0.141 0.000 0.823 372 E CB 1.572 31.170 29.700 -0.171 0.000 1.081 372 E HN 0.413 nan 8.360 nan 0.000 0.396 373 L N 3.687 125.065 121.223 0.260 0.000 2.388 373 L HA 0.556 4.896 4.340 0.000 0.000 0.264 373 L C -0.659 176.386 176.870 0.291 0.000 0.998 373 L CA -0.826 54.106 54.840 0.153 0.000 0.817 373 L CB 1.862 43.687 42.059 -0.390 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.405 124.177 120.570 0.338 0.000 2.362 374 I HA 0.355 4.525 4.170 0.000 0.000 0.289 374 I C -2.219 174.133 176.117 0.392 0.000 0.994 374 I CA -2.010 59.465 61.300 0.291 0.000 1.158 374 I CB 1.987 40.102 38.000 0.191 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.060 nan 4.420 nan 0.000 0.272 375 P C -0.984 176.352 177.300 0.060 0.000 1.223 375 P CA -0.346 62.848 63.100 0.158 0.000 0.784 375 P CB 0.280 32.013 31.700 0.055 0.000 0.923 376 N N 2.426 121.093 118.700 -0.055 0.000 2.354 376 N HA 0.078 4.818 4.740 0.000 0.000 0.246 376 N C -1.974 173.516 175.510 -0.032 0.000 1.285 376 N CA -1.608 51.420 53.050 -0.037 0.000 0.925 376 N CB -1.357 37.084 38.487 -0.077 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.161 nan 4.420 nan 0.000 0.216 377 P C 0.978 178.262 177.300 -0.027 0.000 1.150 377 P CA 1.504 64.596 63.100 -0.014 0.000 0.843 377 P CB 0.200 31.894 31.700 -0.010 0.000 0.787 378 E N -0.952 119.223 120.200 -0.042 0.000 2.072 378 E HA -0.103 4.247 4.350 0.000 0.000 0.190 378 E C 1.762 178.330 176.600 -0.053 0.000 0.982 378 E CA 0.738 57.112 56.400 -0.044 0.000 0.803 378 E CB -1.039 28.633 29.700 -0.047 0.000 0.755 378 E HN 0.016 nan 8.360 nan 0.000 0.453 379 L N -0.026 121.148 121.223 -0.081 0.000 2.156 379 L HA 0.114 4.454 4.340 0.000 0.000 0.208 379 L C 2.033 178.873 176.870 -0.051 0.000 1.095 379 L CA 1.484 56.268 54.840 -0.094 0.000 0.770 379 L CB -0.668 41.276 42.059 -0.193 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.888 121.911 122.820 -0.035 0.000 2.131 380 A HA -0.226 4.094 4.320 0.000 0.000 0.220 380 A C 2.177 179.754 177.584 -0.011 0.000 1.158 380 A CA 1.524 53.555 52.037 -0.010 0.000 0.665 380 A CB -0.523 18.476 19.000 -0.002 0.000 0.795 380 A HN 0.475 nan 8.150 nan 0.000 0.460 381 K N -0.791 119.599 120.400 -0.017 0.000 2.366 381 K HA 0.016 4.336 4.320 0.000 0.000 0.198 381 K C 0.372 176.966 176.600 -0.010 0.000 1.044 381 K CA 0.845 57.124 56.287 -0.013 0.000 0.973 381 K CB 0.057 32.548 32.500 -0.015 0.000 0.767 381 K HN 0.389 nan 8.250 nan 0.000 0.475 382 N N -0.165 118.529 118.700 -0.010 0.000 2.118 382 N HA 0.046 4.787 4.740 0.000 0.000 0.226 382 N C -1.014 174.499 175.510 0.004 0.000 1.305 382 N CA -0.049 52.999 53.050 -0.005 0.000 0.890 382 N CB 1.077 39.559 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.508 123.736 121.223 0.008 0.000 2.318 383 L HA 0.441 4.781 4.340 0.000 0.000 0.277 383 L C -0.312 176.570 176.870 0.021 0.000 1.008 383 L CA -0.565 54.292 54.840 0.028 0.000 0.846 383 L CB 1.219 43.308 42.059 0.050 0.000 1.220 383 L HN -0.276 nan 8.230 nan 0.000 0.423 384 V N 4.105 124.027 119.914 0.013 0.000 2.585 384 V HA 0.244 4.364 4.120 0.000 0.000 0.296 384 V C 0.845 176.929 176.094 -0.017 0.000 1.035 384 V CA 0.013 62.309 62.300 -0.006 0.000 1.084 384 V CB 1.249 33.067 31.823 -0.007 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.489 117.013 114.554 -0.050 0.000 2.912 385 T HA 0.812 5.162 4.350 0.000 0.000 0.288 385 T C -0.758 173.841 174.700 -0.168 0.000 1.030 385 T CA -0.903 61.139 62.100 -0.096 0.000 1.020 385 T CB 2.295 71.108 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 -0.249 0.000 2.408 386 E HA 0.359 4.709 4.350 0.000 0.000 0.275 386 E C -1.279 175.113 176.600 -0.346 0.000 0.935 386 E CA -0.977 55.270 56.400 -0.255 0.000 0.775 386 E CB 1.839 31.458 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.502 120.760 120.300 -0.071 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 0.196 58.295 58.100 -0.002 0.000 1.430 387 Y CB 0.525 39.000 38.460 0.025 0.000 1.311 387 Y HN 0.606 nan 8.280 nan 0.000 0.575 388 G N 2.819 111.804 108.800 0.308 0.000 2.559 388 G HA2 0.063 4.023 3.960 0.000 0.000 0.235 388 G HA3 0.063 4.023 3.960 0.000 0.000 0.235 388 G C -0.215 174.802 174.900 0.196 0.000 1.266 388 G CA -0.885 44.370 45.100 0.259 0.000 0.847 388 G HN 0.436 nan 8.290 nan 0.000 0.583 389 R N -0.118 120.473 120.500 0.152 0.000 2.538 389 R HA -0.013 4.327 4.340 0.000 0.000 0.282 389 R C -0.320 176.089 176.300 0.183 0.000 1.009 389 R CA -0.431 55.753 56.100 0.141 0.000 1.063 389 R CB -0.002 30.354 30.300 0.093 0.000 0.945 389 R HN 0.382 nan 8.270 nan 0.000 0.414 390 F N 4.863 124.833 119.950 0.033 0.000 2.421 390 F HA 0.167 4.695 4.527 0.000 0.000 0.358 390 F C -0.344 175.464 175.800 0.013 0.000 1.115 390 F CA -1.392 56.618 58.000 0.017 0.000 1.160 390 F CB 0.461 39.465 39.000 0.006 0.000 1.123 390 F HN 0.483 nan 8.300 nan 0.000 0.508 391 D N 8.069 128.163 120.400 -0.510 0.000 2.686 391 D HA 0.322 4.962 4.640 0.000 0.000 0.249 391 D C -3.292 172.592 176.300 -0.693 0.000 1.260 391 D CA -2.037 51.548 54.000 -0.691 0.000 0.910 391 D CB 1.740 42.361 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 1.011 178.200 177.300 -0.185 0.000 1.231 392 P CA 0.449 63.308 63.100 -0.401 0.000 0.790 392 P CB 1.084 32.634 31.700 -0.249 0.000 0.951 393 G N 1.399 110.161 108.800 -0.063 0.000 2.205 393 G HA2 -0.355 3.605 3.960 0.000 0.000 0.261 393 G HA3 -0.355 3.605 3.960 0.000 0.000 0.261 393 G C 1.122 176.045 174.900 0.038 0.000 0.980 393 G CA 0.712 45.812 45.100 0.000 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.486 122.326 122.820 -0.014 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 2.829 54.895 52.037 0.049 0.000 0.620 394 A CB -0.369 18.625 19.000 -0.009 0.000 0.822 394 A HN 1.150 nan 8.150 nan 0.000 0.443 395 M N 0.850 120.463 119.600 0.023 0.000 2.132 395 M HA -0.080 4.400 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 1.729 57.036 55.300 0.012 0.000 1.122 395 M CB -0.957 31.619 32.600 -0.042 0.000 1.365 395 M HN 0.512 nan 8.290 nan 0.000 0.411 396 N N -1.324 117.430 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 0.000 0.000 0.186 396 N C 1.733 177.322 175.510 0.131 0.000 1.019 396 N CA 1.608 54.717 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 2.339 122.671 120.300 0.053 0.000 2.200 397 Y HA -0.159 4.391 4.550 0.000 0.000 0.290 397 Y C 2.523 178.481 175.900 0.096 0.000 1.137 397 Y CA 1.405 59.547 58.100 0.070 0.000 1.163 397 Y CB -0.467 38.036 38.460 0.071 0.000 0.988 397 Y HN -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.189 114.875 114.554 0.220 0.000 2.708 398 T HA -0.201 4.149 4.350 0.000 0.000 0.266 398 T C 1.801 176.565 174.700 0.107 0.000 1.037 398 T CA 1.908 64.127 62.100 0.197 0.000 1.146 398 T CB -0.198 68.861 68.868 0.318 0.000 0.865 398 T HN 0.266 nan 8.240 nan 0.000 0.435 399 K N 0.382 120.838 120.400 0.094 0.000 2.057 399 K HA -0.014 4.307 4.320 0.000 0.000 0.207 399 K C 2.199 178.801 176.600 0.004 0.000 1.049 399 K CA 0.852 57.176 56.287 0.063 0.000 0.931 399 K CB -0.346 32.191 32.500 0.062 0.000 0.714 399 K HN 0.137 nan 8.250 nan 0.000 0.440 400 L N 1.317 122.514 121.223 -0.044 0.000 1.994 400 L HA -0.177 4.163 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 1.580 56.363 54.840 -0.095 0.000 0.745 400 L CB -0.376 41.591 42.059 -0.153 0.000 0.892 400 L HN 0.084 nan 8.230 nan 0.000 0.431 401 I N -0.290 120.160 120.570 -0.199 0.000 2.127 401 I HA -0.318 3.852 4.170 0.000 0.000 0.241 401 I C 2.598 178.681 176.117 -0.057 0.000 1.075 401 I CA 1.655 62.862 61.300 -0.154 0.000 1.334 401 I CB -1.266 36.634 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.033 121.243 121.223 -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 1.401 56.239 54.840 -0.004 0.000 0.755 402 L CB -0.605 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 -0.226 115.463 115.700 -0.020 0.000 2.399 403 S HA -0.163 4.307 4.470 0.000 0.000 0.231 403 S C 1.520 176.105 174.600 -0.025 0.000 1.022 403 S CA 1.191 59.378 58.200 -0.021 0.000 0.983 403 S CB -0.072 63.118 63.200 -0.018 0.000 0.803 403 S HN 0.402 nan 8.310 nan 0.000 0.480 404 E N 0.637 120.820 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 0.000 0.000 0.199 404 E C 1.532 178.119 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.117 56.400 -0.022 0.000 0.933 404 E CB -0.012 29.677 29.700 -0.019 0.000 1.050 404 E HN 0.506 nan 8.360 nan 0.000 0.462 405 R N 1.470 121.951 120.500 -0.032 0.000 2.112 405 R HA -0.200 4.140 4.340 0.000 0.000 0.242 405 R C 0.896 177.159 176.300 -0.062 0.000 1.137 405 R CA 1.876 57.950 56.100 -0.044 0.000 0.944 405 R CB 0.105 30.373 30.300 -0.054 0.000 0.857 405 R HN 0.086 nan 8.270 nan 0.000 0.435 406 D N -0.271 120.092 120.400 -0.061 0.000 2.149 406 D HA -0.158 4.482 4.640 0.000 0.000 0.201 406 D C 2.026 178.292 176.300 -0.056 0.000 0.972 406 D CA 1.413 55.370 54.000 -0.073 0.000 0.835 406 D CB -0.218 40.543 40.800 -0.066 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.779 121.260 120.500 -0.031 0.000 2.189 407 R HA 0.021 4.361 4.340 0.000 0.000 0.218 407 R C 1.992 178.296 176.300 0.006 0.000 1.074 407 R CA 0.771 56.864 56.100 -0.013 0.000 0.991 407 R CB -0.428 29.872 30.300 -0.001 0.000 0.883 407 R HN 0.144 nan 8.270 nan 0.000 0.457 408 L N 0.338 121.570 121.223 0.015 0.000 2.446 408 L HA 0.280 4.620 4.340 0.000 0.000 0.219 408 L C 0.907 177.801 176.870 0.040 0.000 1.116 408 L CA 0.509 55.391 54.840 0.071 0.000 0.844 408 L CB 0.013 42.136 42.059 0.107 0.000 0.970 408 L HN 0.627 nan 8.230 nan 0.000 0.457 409 G N 1.537 110.300 108.800 -0.061 0.000 2.272 409 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 409 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 409 G C 0.035 174.736 174.900 -0.331 0.000 1.067 409 G CA -0.202 44.792 45.100 -0.176 0.000 0.902 409 G HN 0.300 nan 8.290 nan 0.000 0.500 410 I N 0.818 121.237 120.570 -0.252 0.000 2.294 410 I HA 0.212 4.382 4.170 0.000 0.000 0.295 410 I C 0.914 176.809 176.117 -0.369 0.000 1.098 410 I CA -0.041 61.104 61.300 -0.258 0.000 1.277 410 I CB 0.438 38.392 38.000 -0.076 0.000 1.434 410 I HN 0.084 nan 8.210 nan 0.000 0.498 411 K N 3.367 123.277 120.400 -0.817 0.000 2.087 411 K HA 0.337 4.657 4.320 0.000 0.000 0.255 411 K C 1.146 177.509 176.600 -0.395 0.000 0.988 411 K CA -0.461 55.304 56.287 -0.869 0.000 0.915 411 K CB 1.231 32.768 32.500 -1.604 0.000 1.043 411 K HN 0.559 nan 8.250 nan 0.000 0.457 412 T N -3.119 111.278 114.554 -0.262 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 -0.114 61.943 62.100 -0.072 0.000 1.109 412 T CB -0.137 68.695 68.868 -0.060 0.000 0.921 412 T HN 0.371 nan 8.240 nan 0.000 0.488 413 V N -1.689 118.124 119.914 -0.167 0.000 2.577 413 V HA 0.810 4.930 4.120 0.000 0.000 0.303 413 V C -1.804 174.206 176.094 -0.140 0.000 1.042 413 V CA -1.753 60.515 62.300 -0.054 0.000 0.872 413 V CB 0.882 32.683 31.823 -0.037 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.595 124.850 121.300 -0.075 0.000 2.844 414 W HA 0.734 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 -2.513 54.813 57.345 -0.032 0.000 1.212 414 W CB 1.803 31.264 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 0.841 178.290 177.300 0.249 0.000 1.226 415 P CA 0.383 63.604 63.100 0.202 0.000 0.765 415 P CB 0.817 32.611 31.700 0.157 0.000 0.835 416 T N 2.804 117.463 114.554 0.175 0.000 2.699 416 T HA -0.235 4.115 4.350 0.000 0.000 0.268 416 T C 1.769 176.572 174.700 0.172 0.000 1.036 416 T CA 1.773 63.967 62.100 0.157 0.000 1.147 416 T CB -0.351 68.574 68.868 0.095 0.000 0.862 416 T HN 0.433 nan 8.240 nan 0.000 0.446 417 R N 1.467 122.052 120.500 0.141 0.000 2.091 417 R HA -0.099 4.241 4.340 0.000 0.000 0.238 417 R C 2.114 178.500 176.300 0.144 0.000 1.136 417 R CA 1.845 58.016 56.100 0.118 0.000 0.959 417 R CB -0.384 29.974 30.300 0.095 0.000 0.856 417 R HN 0.474 nan 8.270 nan 0.000 0.437 418 E N -1.174 119.152 120.200 0.209 0.000 2.152 418 E HA -0.202 4.148 4.350 0.000 0.000 0.192 418 E C 1.570 178.355 176.600 0.308 0.000 0.983 418 E CA 1.134 57.700 56.400 0.277 0.000 0.818 418 E CB -0.202 29.705 29.700 0.344 0.000 0.758 418 E HN 0.431 nan 8.360 nan 0.000 0.467 419 Y N 1.543 121.887 120.300 0.073 0.000 2.220 419 Y HA -0.181 4.369 4.550 0.000 0.000 0.291 419 Y C 2.355 178.159 175.900 -0.161 0.000 1.129 419 Y CA 1.636 59.488 58.100 -0.413 0.000 1.161 419 Y CB -0.337 37.726 38.460 -0.661 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.425 114.944 114.554 -0.059 0.000 2.684 420 T HA -0.189 4.161 4.350 0.000 0.000 0.267 420 T C 1.330 175.981 174.700 -0.081 0.000 1.036 420 T CA 1.762 63.808 62.100 -0.090 0.000 1.148 420 T CB -0.398 68.482 68.868 0.020 0.000 0.863 420 T HN 0.357 nan 8.240 nan 0.000 0.436 421 D N 0.438 120.845 120.400 0.012 0.000 2.123 421 D HA -0.067 4.573 4.640 0.000 0.000 0.196 421 D C 1.665 178.013 176.300 0.080 0.000 0.992 421 D CA 0.737 54.771 54.000 0.057 0.000 0.833 421 D CB -0.500 40.358 40.800 0.097 0.000 0.954 421 D HN 0.368 nan 8.370 nan 0.000 0.455 422 F N 1.797 121.691 119.950 -0.095 0.000 2.095 422 F HA -0.155 4.372 4.527 0.000 0.000 0.298 422 F C 2.282 178.038 175.800 -0.074 0.000 1.104 422 F CA 1.437 59.396 58.000 -0.070 0.000 1.232 422 F CB -0.084 38.795 39.000 -0.203 0.000 0.987 422 F HN -0.205 nan 8.300 nan 0.000 0.475 423 R N 0.375 120.658 120.500 -0.362 0.000 2.094 423 R HA -0.243 4.098 4.340 0.000 0.000 0.239 423 R C 2.363 178.536 176.300 -0.212 0.000 1.137 423 R CA 2.182 58.076 56.100 -0.344 0.000 0.943 423 R CB -0.795 29.299 30.300 -0.343 0.000 0.850 423 R HN 0.637 nan 8.270 nan 0.000 0.433 424 E N -0.608 119.509 120.200 -0.139 0.000 2.216 424 E HA -0.203 4.147 4.350 0.000 0.000 0.192 424 E C 1.650 178.199 176.600 -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 29.371 29.700 -0.057 0.000 0.772 424 E HN 0.416 nan 8.360 nan 0.000 0.479 425 Y N 1.083 121.290 120.300 -0.156 0.000 2.130 425 Y HA -0.029 4.521 4.550 0.000 0.000 0.287 425 Y C 1.111 176.927 175.900 -0.139 0.000 1.124 425 Y CA 0.954 58.988 58.100 -0.111 0.000 1.118 425 Y CB -0.258 38.178 38.460 -0.040 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.506 120.289 119.950 -0.279 0.000 2.521 426 F HA -0.005 4.522 4.527 0.000 0.000 0.298 426 F C 1.016 176.639 175.800 -0.296 0.000 1.289 426 F CA 0.197 57.975 58.000 -0.371 0.000 1.315 426 F CB 0.197 38.777 39.000 -0.700 0.000 1.257 426 F HN 0.133 nan 8.300 nan 0.000 0.541 427 M N 2.134 120.769 119.600 -1.607 0.000 2.212 427 M HA -0.258 4.222 4.480 0.000 0.000 0.193 427 M C 0.274 176.260 176.300 -0.524 0.000 0.493 427 M CA 0.763 55.432 55.300 -1.051 0.000 0.427 427 M CB -1.118 31.081 32.600 -0.669 0.000 1.120 427 M HN 0.806 nan 8.290 nan 0.000 0.929 428 E N -1.088 118.838 120.200 -0.457 0.000 2.474 428 E HA 0.182 4.532 4.350 0.000 0.000 0.195 428 E C -0.032 176.421 176.600 -0.244 0.000 1.039 428 E CA 0.133 56.352 56.400 -0.301 0.000 0.881 428 E CB 0.702 30.232 29.700 -0.283 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.921 120.671 119.914 -0.273 0.000 2.483 429 V HA 0.574 4.694 4.120 0.000 0.000 0.297 429 V C -0.659 175.316 176.094 -0.198 0.000 1.027 429 V CA -0.604 61.574 62.300 -0.203 0.000 0.855 429 V CB 1.620 33.343 31.823 -0.167 0.000 0.995 429 V HN 0.067 nan 8.190 nan 0.000 0.424 430 A N 3.067 125.798 122.820 -0.149 0.000 2.839 430 A HA 0.468 4.788 4.320 0.000 0.000 0.303 430 A C -0.405 177.125 177.584 -0.090 0.000 1.181 430 A CA -0.310 51.655 52.037 -0.119 0.000 0.808 430 A CB 0.578 19.506 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.367 122.719 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 0.000 0.000 0.236 431 D C 1.155 177.423 176.300 -0.053 0.000 1.233 431 D CA 0.313 54.272 54.000 -0.068 0.000 0.829 431 D CB -0.484 40.274 40.800 -0.070 0.000 1.024 431 D HN 0.652 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 0.615 177.464 176.870 -0.035 0.000 2.741 432 L CA 1.241 56.058 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 -0.386 118.296 118.700 -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 53.489 53.050 -0.028 0.000 0.790 433 N CB 0.496 38.969 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 0.502 4.972 4.470 0.000 0.000 0.276 434 S C -1.250 173.339 174.600 -0.019 0.000 1.350 434 S CA -0.509 57.677 58.200 -0.024 0.000 1.024 434 S CB -0.718 62.467 63.200 -0.026 0.000 0.864 434 S HN 0.585 nan 8.310 nan 0.000 0.536 435 P HA -0.094 nan 4.420 nan 0.000 0.041 435 P C 0.186 177.479 177.300 -0.012 0.000 0.590 435 P CA 0.557 63.649 63.100 -0.014 0.000 1.019 435 P CB -0.686 31.006 31.700 -0.013 0.000 1.776 436 L N 0.563 121.778 121.223 -0.012 0.000 2.127 436 L HA -0.104 4.236 4.340 0.000 0.000 0.203 436 L C 2.682 179.547 176.870 -0.009 0.000 1.080 436 L CA 1.632 56.466 54.840 -0.010 0.000 0.768 436 L CB -1.038 41.015 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.945 121.340 120.400 -0.010 0.000 2.362 437 K HA -0.116 4.204 4.320 0.000 0.000 0.202 437 K C 1.523 178.118 176.600 -0.008 0.000 1.045 437 K CA 1.992 58.273 56.287 -0.009 0.000 0.936 437 K CB -0.824 31.669 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.856 118.709 120.570 -0.008 0.000 4.439 438 I HA 0.224 4.395 4.170 0.000 0.000 0.331 438 I C 2.414 178.527 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.713 61.300 -0.008 0.000 1.193 438 I CB 0.744 38.739 38.000 -0.008 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.631 124.447 122.820 -0.007 0.000 1.862 439 A HA 0.027 4.347 4.320 0.000 0.000 0.217 439 A C 1.435 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.137 54.170 52.037 -0.006 0.000 0.673 439 A CB -1.172 17.824 19.000 -0.005 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925