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 2v5z_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.519 175.510 0.015 0.000 1.280 3 N CA 0.000 52.950 53.050 -0.166 0.000 0.885 3 N CB 0.000 38.404 38.487 -0.139 0.000 1.341 4 K N 1.837 122.254 120.400 0.029 0.000 2.211 4 K HA 0.516 4.836 4.320 -0.000 0.000 0.275 4 K C 0.135 176.776 176.600 0.069 0.000 1.024 4 K CA -0.362 55.952 56.287 0.045 0.000 0.887 4 K CB 1.774 34.287 32.500 0.020 0.000 1.084 4 K HN 0.554 nan 8.250 nan 0.000 0.463 5 C N -0.861 118.484 119.300 0.075 0.000 3.336 5 C HA 0.421 4.881 4.460 -0.000 0.000 0.339 5 C C 0.800 175.827 174.990 0.062 0.000 1.468 5 C CA -0.774 58.287 59.018 0.072 0.000 1.287 5 C CB 0.997 28.791 27.740 0.091 0.000 1.682 5 C HN 0.767 nan 8.230 nan 0.000 0.451 6 D N 0.253 120.692 120.400 0.065 0.000 2.144 6 D HA 0.137 4.777 4.640 -0.000 0.000 0.207 6 D C 0.313 176.679 176.300 0.110 0.000 0.970 6 D CA 1.693 55.741 54.000 0.080 0.000 0.853 6 D CB 0.261 41.107 40.800 0.076 0.000 1.007 6 D HN 0.485 nan 8.370 nan 0.000 0.469 7 V N 1.427 121.396 119.914 0.091 0.000 2.638 7 V HA 0.264 4.384 4.120 -0.000 0.000 0.306 7 V C -0.157 175.968 176.094 0.052 0.000 1.052 7 V CA -0.840 61.516 62.300 0.094 0.000 0.885 7 V CB 2.792 34.659 31.823 0.073 0.000 0.999 7 V HN -0.238 nan 8.190 nan 0.000 0.424 8 V N 5.204 125.145 119.914 0.044 0.000 2.407 8 V HA 0.399 4.519 4.120 -0.000 0.000 0.278 8 V C -0.069 176.018 176.094 -0.011 0.000 1.037 8 V CA -0.404 61.892 62.300 -0.007 0.000 0.900 8 V CB 1.831 33.644 31.823 -0.016 0.000 0.983 8 V HN 0.637 nan 8.190 nan 0.000 0.459 9 V N 6.261 126.153 119.914 -0.036 0.000 2.370 9 V HA 0.319 4.439 4.120 -0.000 0.000 0.279 9 V C 0.015 176.083 176.094 -0.043 0.000 1.029 9 V CA -0.575 61.709 62.300 -0.026 0.000 0.870 9 V CB 1.749 33.560 31.823 -0.021 0.000 0.984 9 V HN 0.600 nan 8.190 nan 0.000 0.451 10 V N 4.726 124.628 119.914 -0.020 0.000 2.353 10 V HA 0.786 4.906 4.120 -0.000 0.000 0.264 10 V C 0.704 176.801 176.094 0.005 0.000 1.049 10 V CA 0.455 62.744 62.300 -0.019 0.000 0.896 10 V CB 0.370 32.199 31.823 0.009 0.000 1.025 10 V HN 1.262 nan 8.190 nan 0.000 0.475 11 G N 3.633 112.423 108.800 -0.017 0.000 3.367 11 G HA2 0.184 4.144 3.960 -0.000 0.000 0.686 11 G HA3 0.184 4.144 3.960 -0.000 0.000 0.686 11 G C 0.065 174.965 174.900 0.001 0.000 1.146 11 G CA -0.515 44.587 45.100 0.003 0.000 0.913 11 G HN 1.189 nan 8.290 nan 0.000 0.554 12 G N 0.806 109.604 108.800 -0.003 0.000 4.125 12 G HA2 0.680 4.640 3.960 -0.000 0.000 0.301 12 G HA3 0.680 4.640 3.960 -0.000 0.000 0.301 12 G C 0.879 175.794 174.900 0.024 0.000 1.273 12 G CA 0.919 46.019 45.100 -0.000 0.000 1.095 12 G HN 1.283 nan 8.290 nan 0.000 0.582 13 G N -0.125 108.701 108.800 0.043 0.000 2.535 13 G HA2 0.347 4.307 3.960 -0.000 0.000 0.282 13 G HA3 0.347 4.307 3.960 -0.000 0.000 0.282 13 G C 1.202 176.128 174.900 0.044 0.000 1.350 13 G CA -0.766 44.369 45.100 0.058 0.000 1.039 13 G HN 0.145 nan 8.290 nan 0.000 0.509 14 I N -0.526 120.073 120.570 0.048 0.000 2.194 14 I HA -0.230 3.940 4.170 -0.000 0.000 0.246 14 I C 3.018 179.159 176.117 0.039 0.000 1.093 14 I CA 1.688 63.010 61.300 0.036 0.000 1.355 14 I CB -0.102 37.923 38.000 0.041 0.000 1.046 14 I HN 0.473 nan 8.210 nan 0.000 0.413 15 S N 0.482 116.217 115.700 0.059 0.000 2.355 15 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 15 S C 2.112 176.738 174.600 0.044 0.000 1.031 15 S CA 1.591 59.828 58.200 0.063 0.000 0.993 15 S CB -0.597 62.658 63.200 0.093 0.000 0.859 15 S HN 0.571 nan 8.310 nan 0.000 0.453 16 G N 1.483 110.308 108.800 0.041 0.000 2.418 16 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 16 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 16 G C 1.448 176.351 174.900 0.005 0.000 1.158 16 G CA 0.943 46.057 45.100 0.023 0.000 0.771 16 G HN 0.401 nan 8.290 nan 0.000 0.545 17 M N 1.195 120.797 119.600 0.003 0.000 2.132 17 M HA 0.099 4.579 4.480 -0.000 0.000 0.263 17 M C 2.997 179.290 176.300 -0.012 0.000 1.065 17 M CA 1.175 56.468 55.300 -0.012 0.000 1.122 17 M CB -1.301 31.289 32.600 -0.016 0.000 1.365 17 M HN 0.309 nan 8.290 nan 0.000 0.411 18 A N 0.317 123.136 122.820 -0.002 0.000 1.902 18 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 18 A C 2.461 180.043 177.584 -0.004 0.000 1.181 18 A CA 2.087 54.123 52.037 -0.002 0.000 0.623 18 A CB -0.877 18.128 19.000 0.008 0.000 0.818 18 A HN 0.465 nan 8.150 nan 0.000 0.443 19 A N -0.075 122.743 122.820 -0.004 0.000 1.877 19 A HA 0.161 4.481 4.320 -0.000 0.000 0.216 19 A C 2.534 180.112 177.584 -0.010 0.000 1.186 19 A CA 2.157 54.186 52.037 -0.014 0.000 0.620 19 A CB -1.104 17.889 19.000 -0.011 0.000 0.822 19 A HN 1.067 nan 8.150 nan 0.000 0.443 20 A N -0.276 122.540 122.820 -0.006 0.000 1.902 20 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 20 A C 2.152 179.751 177.584 0.025 0.000 1.181 20 A CA 2.076 54.114 52.037 0.001 0.000 0.623 20 A CB -0.491 18.498 19.000 -0.019 0.000 0.818 20 A HN 0.565 nan 8.150 nan 0.000 0.443 21 K N -0.487 119.919 120.400 0.010 0.000 2.026 21 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 21 K C 2.010 178.649 176.600 0.064 0.000 1.048 21 K CA 1.560 57.868 56.287 0.034 0.000 0.929 21 K CB -0.321 32.182 32.500 0.005 0.000 0.713 21 K HN 0.458 nan 8.250 nan 0.000 0.439 22 L N 1.168 122.406 121.223 0.025 0.000 2.017 22 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 22 L C 2.188 179.064 176.870 0.009 0.000 1.073 22 L CA 1.229 56.074 54.840 0.008 0.000 0.745 22 L CB -0.157 41.892 42.059 -0.017 0.000 0.894 22 L HN 0.247 nan 8.230 nan 0.000 0.432 23 L N -1.117 120.113 121.223 0.012 0.000 2.046 23 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 23 L C 2.603 179.495 176.870 0.036 0.000 1.077 23 L CA 1.530 56.374 54.840 0.007 0.000 0.747 23 L CB -0.859 41.201 42.059 0.001 0.000 0.896 23 L HN 0.414 nan 8.230 nan 0.000 0.432 24 H N 0.323 119.381 119.070 -0.020 0.000 2.319 24 H HA -0.201 4.355 4.556 -0.000 0.000 0.299 24 H C 1.809 177.129 175.328 -0.014 0.000 1.092 24 H CA 2.055 58.095 56.048 -0.014 0.000 1.302 24 H CB 0.015 29.769 29.762 -0.013 0.000 1.373 24 H HN 0.215 nan 8.280 nan 0.000 0.497 25 D N -0.566 119.834 120.400 0.000 0.000 2.218 25 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 25 D C 1.859 178.111 176.300 -0.081 0.000 0.976 25 D CA 1.189 55.157 54.000 -0.052 0.000 0.853 25 D CB -0.186 40.624 40.800 0.017 0.000 0.939 25 D HN 0.343 nan 8.370 nan 0.000 0.481 26 S N -1.176 114.486 115.700 -0.064 0.000 2.562 26 S HA 0.246 4.716 4.470 -0.000 0.000 0.221 26 S C 1.573 176.129 174.600 -0.072 0.000 0.975 26 S CA 0.603 58.769 58.200 -0.058 0.000 0.918 26 S CB 0.737 63.911 63.200 -0.044 0.000 0.772 26 S HN 0.446 nan 8.310 nan 0.000 0.531 27 G N 0.956 109.688 108.800 -0.113 0.000 2.148 27 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.203 27 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.203 27 G C -0.072 174.784 174.900 -0.073 0.000 0.993 27 G CA -0.397 44.635 45.100 -0.113 0.000 0.661 27 G HN 0.403 nan 8.290 nan 0.000 0.518 28 L N 0.575 121.768 121.223 -0.050 0.000 2.399 28 L HA 0.448 4.788 4.340 -0.000 0.000 0.266 28 L C 0.104 176.987 176.870 0.021 0.000 1.114 28 L CA -1.103 53.733 54.840 -0.006 0.000 0.804 28 L CB 0.702 42.765 42.059 0.006 0.000 1.146 28 L HN -0.004 nan 8.230 nan 0.000 0.451 29 N N 1.986 120.710 118.700 0.040 0.000 2.406 29 N HA 0.283 5.023 4.740 -0.000 0.000 0.251 29 N C -0.648 174.905 175.510 0.072 0.000 1.069 29 N CA -0.112 52.977 53.050 0.065 0.000 0.947 29 N CB 1.562 40.082 38.487 0.055 0.000 1.111 29 N HN 0.361 nan 8.380 nan 0.000 0.497 30 V N 0.153 120.118 119.914 0.086 0.000 2.815 30 V HA 0.754 4.874 4.120 -0.000 0.000 0.314 30 V C -0.104 176.010 176.094 0.034 0.000 1.064 30 V CA -0.715 61.619 62.300 0.057 0.000 0.952 30 V CB 1.980 33.834 31.823 0.052 0.000 1.020 30 V HN 0.164 nan 8.190 nan 0.000 0.439 31 V N 3.391 123.306 119.914 0.001 0.000 2.656 31 V HA 0.565 4.685 4.120 -0.000 0.000 0.307 31 V C -0.417 175.621 176.094 -0.094 0.000 1.051 31 V CA -0.538 61.733 62.300 -0.048 0.000 0.893 31 V CB 2.133 33.917 31.823 -0.065 0.000 0.999 31 V HN 0.844 nan 8.190 nan 0.000 0.426 32 V N 5.867 125.717 119.914 -0.107 0.000 2.384 32 V HA 0.470 4.590 4.120 -0.000 0.000 0.287 32 V C -0.287 175.712 176.094 -0.158 0.000 1.020 32 V CA -0.454 61.781 62.300 -0.108 0.000 0.850 32 V CB 1.534 33.314 31.823 -0.072 0.000 0.987 32 V HN 0.616 nan 8.190 nan 0.000 0.436 33 L N 4.569 125.684 121.223 -0.180 0.000 2.262 33 L HA 0.612 4.952 4.340 -0.000 0.000 0.288 33 L C -0.191 176.598 176.870 -0.135 0.000 1.035 33 L CA -0.346 54.371 54.840 -0.204 0.000 0.820 33 L CB 1.390 43.289 42.059 -0.267 0.000 1.204 33 L HN 0.620 nan 8.230 nan 0.000 0.424 34 E N 2.352 122.478 120.200 -0.124 0.000 2.176 34 E HA 0.492 4.842 4.350 -0.000 0.000 0.267 34 E C 0.334 176.833 176.600 -0.167 0.000 0.893 34 E CA -0.329 56.001 56.400 -0.116 0.000 0.761 34 E CB 2.067 31.720 29.700 -0.077 0.000 1.133 34 E HN 0.547 nan 8.360 nan 0.000 0.409 35 A N 5.393 128.053 122.820 -0.267 0.000 1.933 35 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 35 A C 1.065 178.435 177.584 -0.357 0.000 1.175 35 A CA 1.027 52.775 52.037 -0.481 0.000 0.628 35 A CB -0.185 18.140 19.000 -1.125 0.000 0.814 35 A HN 0.600 nan 8.150 nan 0.000 0.444 36 R N -0.172 120.197 120.500 -0.218 0.000 2.541 36 R HA 0.254 4.594 4.340 -0.000 0.000 0.263 36 R C 0.150 176.415 176.300 -0.059 0.000 1.112 36 R CA 0.116 56.159 56.100 -0.095 0.000 1.170 36 R CB 0.184 30.466 30.300 -0.030 0.000 1.167 36 R HN 0.443 nan 8.270 nan 0.000 0.582 37 D N 0.383 120.766 120.400 -0.029 0.000 2.324 37 D HA -0.043 4.597 4.640 -0.000 0.000 0.235 37 D C -0.150 176.152 176.300 0.003 0.000 1.095 37 D CA 0.131 54.123 54.000 -0.014 0.000 0.871 37 D CB -0.058 40.739 40.800 -0.005 0.000 0.906 37 D HN 0.427 nan 8.370 nan 0.000 0.522 38 R N -1.260 119.244 120.500 0.006 0.000 2.710 38 R HA 0.579 4.919 4.340 -0.000 0.000 0.270 38 R C -0.699 175.622 176.300 0.035 0.000 1.021 38 R CA -1.134 54.987 56.100 0.037 0.000 0.889 38 R CB 1.223 31.569 30.300 0.077 0.000 1.243 38 R HN -0.096 nan 8.270 nan 0.000 0.464 39 V N -1.304 118.638 119.914 0.046 0.000 3.134 39 V HA 0.864 4.984 4.120 -0.000 0.000 0.313 39 V C 0.929 177.076 176.094 0.088 0.000 1.069 39 V CA 0.457 62.784 62.300 0.045 0.000 1.048 39 V CB 0.818 32.653 31.823 0.020 0.000 1.119 39 V HN 1.193 nan 8.190 nan 0.000 0.461 40 G N -0.629 108.222 108.800 0.085 0.000 2.391 40 G HA2 0.154 4.114 3.960 -0.000 0.000 0.204 40 G HA3 0.154 4.114 3.960 -0.000 0.000 0.204 40 G C 1.588 176.574 174.900 0.143 0.000 1.012 40 G CA 0.744 45.915 45.100 0.117 0.000 0.651 40 G HN 2.593 nan 8.290 nan 0.000 0.494 41 G N 0.644 109.540 108.800 0.160 0.000 2.646 41 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.324 41 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.324 41 G C 0.989 176.046 174.900 0.260 0.000 1.195 41 G CA 1.528 46.740 45.100 0.187 0.000 0.976 41 G HN 1.174 nan 8.290 nan 0.000 0.546 42 R N 1.833 122.400 120.500 0.111 0.000 2.323 42 R HA 0.206 4.546 4.340 -0.000 0.000 0.198 42 R C 1.089 177.299 176.300 -0.149 0.000 0.988 42 R CA 1.083 57.081 56.100 -0.170 0.000 1.041 42 R CB -0.178 29.992 30.300 -0.216 0.000 0.926 42 R HN 0.709 nan 8.270 nan 0.000 0.476 43 T N -2.411 112.198 114.554 0.093 0.000 2.829 43 T HA 0.364 4.714 4.350 -0.000 0.000 0.282 43 T C -0.944 173.979 174.700 0.371 0.000 0.990 43 T CA -0.636 61.568 62.100 0.173 0.000 1.028 43 T CB 1.569 70.505 68.868 0.113 0.000 0.951 43 T HN 0.112 nan 8.240 nan 0.000 0.460 44 Y N 1.273 121.718 120.300 0.241 0.000 2.313 44 Y HA 0.413 4.963 4.550 0.000 0.000 0.320 44 Y C -1.168 174.844 175.900 0.187 0.000 1.171 44 Y CA -0.801 57.441 58.100 0.235 0.000 1.093 44 Y CB 1.491 40.150 38.460 0.332 0.000 1.224 44 Y HN 0.874 nan 8.280 nan 0.000 0.421 45 T N 7.801 122.209 114.554 -0.244 0.000 2.753 45 T HA 0.380 4.730 4.350 -0.000 0.000 0.297 45 T C -0.721 173.675 174.700 -0.508 0.000 0.981 45 T CA -0.381 61.566 62.100 -0.256 0.000 0.956 45 T CB 0.465 69.286 68.868 -0.078 0.000 0.936 45 T HN 0.576 nan 8.240 nan 0.000 0.463 46 L N 4.503 125.430 121.223 -0.494 0.000 2.349 46 L HA 0.600 4.940 4.340 -0.000 0.000 0.275 46 L C -0.217 176.580 176.870 -0.122 0.000 1.115 46 L CA -0.022 54.602 54.840 -0.360 0.000 0.820 46 L CB 0.410 42.340 42.059 -0.215 0.000 1.135 46 L HN 0.446 nan 8.230 nan 0.000 0.445 47 R N 3.578 124.031 120.500 -0.078 0.000 2.480 47 R HA 0.631 4.971 4.340 -0.000 0.000 0.306 47 R C -1.094 175.186 176.300 -0.032 0.000 0.958 47 R CA -0.573 55.508 56.100 -0.032 0.000 0.861 47 R CB 1.329 31.620 30.300 -0.014 0.000 1.171 47 R HN 0.899 nan 8.270 nan 0.000 0.445 48 N N -0.928 117.740 118.700 -0.054 0.000 3.020 48 N HA 0.076 4.816 4.740 -0.000 0.000 0.248 48 N C -0.150 175.307 175.510 -0.088 0.000 1.480 48 N CA -0.855 52.160 53.050 -0.058 0.000 0.874 48 N CB 0.696 39.152 38.487 -0.051 0.000 1.433 48 N HN 0.156 nan 8.380 nan 0.000 0.530 49 Q N -0.265 119.489 119.800 -0.076 0.000 2.167 49 Q HA 0.050 4.390 4.340 -0.000 0.000 0.202 49 Q C 0.647 176.606 176.000 -0.068 0.000 0.970 49 Q CA 1.235 57.007 55.803 -0.053 0.000 0.855 49 Q CB -0.018 28.698 28.738 -0.037 0.000 0.911 49 Q HN 0.542 nan 8.270 nan 0.000 0.438 50 K N -0.029 120.241 120.400 -0.216 0.000 2.155 50 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 50 K C 1.953 178.366 176.600 -0.311 0.000 1.052 50 K CA 1.277 57.338 56.287 -0.377 0.000 0.948 50 K CB 0.159 32.088 32.500 -0.952 0.000 0.728 50 K HN 0.257 nan 8.250 nan 0.000 0.448 51 V N -2.988 116.719 119.914 -0.345 0.000 3.645 51 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 51 V C 1.405 177.130 176.094 -0.616 0.000 1.356 51 V CA 0.560 62.613 62.300 -0.413 0.000 1.051 51 V CB 0.220 31.837 31.823 -0.344 0.000 0.828 51 V HN 0.249 nan 8.190 nan 0.000 0.441 52 K N 0.548 120.667 120.400 -0.468 0.000 10.883 52 K HA -0.305 4.015 4.320 -0.000 0.000 0.526 52 K C 0.142 176.653 176.600 -0.148 0.000 0.382 52 K CA 2.514 58.566 56.287 -0.391 0.000 1.943 52 K CB -1.430 30.636 32.500 -0.723 0.000 0.766 52 K HN 0.948 nan 8.250 nan 0.000 1.214 53 Y N -1.960 118.195 120.300 -0.242 0.000 2.571 53 Y HA 0.731 5.281 4.550 -0.000 0.000 0.341 53 Y C -1.250 174.608 175.900 -0.070 0.000 1.076 53 Y CA -0.760 57.259 58.100 -0.134 0.000 1.029 53 Y CB 2.074 40.472 38.460 -0.103 0.000 1.308 53 Y HN -0.005 nan 8.280 nan 0.000 0.461 54 V N 2.433 122.408 119.914 0.102 0.000 2.817 54 V HA 0.351 4.471 4.120 -0.000 0.000 0.303 54 V C -1.611 174.544 176.094 0.101 0.000 1.151 54 V CA -0.643 61.718 62.300 0.101 0.000 0.929 54 V CB 1.944 33.846 31.823 0.130 0.000 1.030 54 V HN 0.929 nan 8.190 nan 0.000 0.427 55 D N 5.788 126.260 120.400 0.121 0.000 2.339 55 D HA 0.284 4.924 4.640 -0.000 0.000 0.256 55 D C 0.855 177.241 176.300 0.144 0.000 1.214 55 D CA 0.209 54.270 54.000 0.100 0.000 0.877 55 D CB 1.856 42.690 40.800 0.056 0.000 1.111 55 D HN 0.516 nan 8.370 nan 0.000 0.478 56 L N 1.510 122.871 121.223 0.230 0.000 2.554 56 L HA 0.200 4.540 4.340 -0.000 0.000 0.225 56 L C 1.536 178.789 176.870 0.637 0.000 1.104 56 L CA 0.078 55.151 54.840 0.388 0.000 0.866 56 L CB 0.337 42.644 42.059 0.414 0.000 1.047 56 L HN 0.326 nan 8.230 nan 0.000 0.468 57 G N -0.774 108.330 108.800 0.507 0.000 3.175 57 G HA2 0.428 4.388 3.960 -0.000 0.000 0.153 57 G HA3 0.428 4.388 3.960 -0.000 0.000 0.153 57 G C -0.143 174.797 174.900 0.067 0.000 1.216 57 G CA -0.054 45.188 45.100 0.236 0.000 0.943 57 G HN 0.089 nan 8.290 nan 0.000 0.611 58 G N -0.828 107.946 108.800 -0.044 0.000 2.353 58 G HA2 0.367 4.327 3.960 -0.000 0.000 0.239 58 G HA3 0.367 4.327 3.960 -0.000 0.000 0.239 58 G C 0.519 175.396 174.900 -0.038 0.000 1.295 58 G CA 0.915 45.984 45.100 -0.050 0.000 0.884 58 G HN 0.828 nan 8.290 nan 0.000 0.537 59 S N 1.078 116.693 115.700 -0.142 0.000 3.330 59 S HA 0.188 4.658 4.470 -0.000 0.000 0.259 59 S C 0.045 174.400 174.600 -0.408 0.000 1.095 59 S CA -0.323 57.691 58.200 -0.309 0.000 0.841 59 S CB -0.004 62.844 63.200 -0.586 0.000 0.890 59 S HN 0.491 nan 8.310 nan 0.000 0.446 60 Y N 2.882 123.145 120.300 -0.061 0.000 2.319 60 Y HA 0.536 5.086 4.550 -0.000 0.000 0.328 60 Y C 0.291 176.072 175.900 -0.198 0.000 1.133 60 Y CA -0.447 57.570 58.100 -0.138 0.000 1.265 60 Y CB 1.153 39.570 38.460 -0.071 0.000 1.218 60 Y HN 0.123 nan 8.280 nan 0.000 0.508 61 V N -0.184 119.624 119.914 -0.176 0.000 3.102 61 V HA 1.105 5.225 4.120 -0.000 0.000 0.312 61 V C -0.291 175.628 176.094 -0.291 0.000 1.135 61 V CA -0.523 61.599 62.300 -0.298 0.000 1.022 61 V CB 1.699 33.265 31.823 -0.429 0.000 1.056 61 V HN 0.942 nan 8.190 nan 0.000 0.436 62 G N 0.343 108.929 108.800 -0.357 0.000 2.606 62 G HA2 0.713 4.673 3.960 -0.000 0.000 0.300 62 G HA3 0.713 4.673 3.960 -0.000 0.000 0.300 62 G C -3.432 171.316 174.900 -0.252 0.000 1.360 62 G CA -1.109 43.828 45.100 -0.271 0.000 0.783 62 G HN 0.722 nan 8.290 nan 0.000 0.484 63 P HA 0.120 nan 4.420 nan 0.000 0.265 63 P C 0.775 178.061 177.300 -0.023 0.000 1.187 63 P CA 1.966 65.026 63.100 -0.066 0.000 0.766 63 P CB 0.907 32.595 31.700 -0.020 0.000 0.820 64 T N -1.331 113.239 114.554 0.026 0.000 6.424 64 T HA -0.249 4.101 4.350 -0.000 0.000 0.279 64 T C 0.247 174.989 174.700 0.070 0.000 2.176 64 T CA 0.995 63.187 62.100 0.153 0.000 3.628 64 T CB -2.674 66.408 68.868 0.357 0.000 1.165 64 T HN 0.582 nan 8.240 nan 0.000 1.080 65 Q N 1.300 120.961 119.800 -0.232 0.000 3.207 65 Q HA 0.375 4.715 4.340 -0.000 0.000 0.335 65 Q C 0.898 176.807 176.000 -0.152 0.000 1.374 65 Q CA -0.477 55.087 55.803 -0.398 0.000 1.023 65 Q CB 0.218 28.527 28.738 -0.714 0.000 1.576 65 Q HN 0.493 nan 8.270 nan 0.000 0.515 66 N N 0.795 119.479 118.700 -0.027 0.000 2.354 66 N HA -0.061 4.679 4.740 -0.000 0.000 0.179 66 N C 1.235 176.758 175.510 0.022 0.000 1.021 66 N CA 0.768 53.824 53.050 0.010 0.000 0.887 66 N CB 0.276 38.791 38.487 0.047 0.000 0.974 66 N HN 0.378 nan 8.380 nan 0.000 0.437 67 R N 0.551 121.069 120.500 0.030 0.000 2.066 67 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 67 R C 2.053 178.371 176.300 0.031 0.000 1.131 67 R CA 0.757 56.880 56.100 0.038 0.000 0.955 67 R CB -0.389 29.945 30.300 0.057 0.000 0.851 67 R HN 0.090 nan 8.270 nan 0.000 0.432 68 I N 1.276 121.860 120.570 0.024 0.000 2.286 68 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 68 I C 1.833 178.021 176.117 0.119 0.000 1.115 68 I CA 1.397 62.736 61.300 0.064 0.000 1.392 68 I CB -0.062 37.986 38.000 0.080 0.000 1.065 68 I HN 0.100 nan 8.210 nan 0.000 0.418 69 L N 0.148 121.424 121.223 0.089 0.000 2.046 69 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 69 L C 2.747 179.666 176.870 0.081 0.000 1.077 69 L CA 1.315 56.224 54.840 0.115 0.000 0.747 69 L CB -0.847 41.235 42.059 0.037 0.000 0.896 69 L HN 0.258 nan 8.230 nan 0.000 0.432 70 R N 0.735 121.262 120.500 0.046 0.000 2.066 70 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 70 R C 2.303 178.612 176.300 0.016 0.000 1.131 70 R CA 1.631 57.748 56.100 0.030 0.000 0.955 70 R CB -0.623 29.692 30.300 0.026 0.000 0.851 70 R HN 0.247 nan 8.270 nan 0.000 0.432 71 L N 1.222 122.450 121.223 0.009 0.000 2.017 71 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 71 L C 2.435 179.272 176.870 -0.055 0.000 1.073 71 L CA 2.349 57.179 54.840 -0.018 0.000 0.745 71 L CB -0.886 41.162 42.059 -0.019 0.000 0.894 71 L HN 0.246 nan 8.230 nan 0.000 0.432 72 A N -0.686 122.089 122.820 -0.075 0.000 1.902 72 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 72 A C 2.469 180.000 177.584 -0.088 0.000 1.181 72 A CA 1.995 53.921 52.037 -0.185 0.000 0.623 72 A CB -0.652 18.136 19.000 -0.354 0.000 0.818 72 A HN 0.517 nan 8.150 nan 0.000 0.443 73 K N -0.333 120.064 120.400 -0.005 0.000 2.057 73 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 73 K C 2.070 178.665 176.600 -0.010 0.000 1.049 73 K CA 1.664 57.957 56.287 0.011 0.000 0.931 73 K CB -0.173 32.346 32.500 0.032 0.000 0.714 73 K HN 0.628 nan 8.250 nan 0.000 0.440 74 E N 0.463 120.654 120.200 -0.015 0.000 2.153 74 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 74 E C 1.645 178.228 176.600 -0.029 0.000 0.988 74 E CA 0.849 57.239 56.400 -0.016 0.000 0.811 74 E CB 0.036 29.729 29.700 -0.012 0.000 0.746 74 E HN 0.349 nan 8.360 nan 0.000 0.466 75 L N -0.676 120.516 121.223 -0.052 0.000 2.599 75 L HA 0.145 4.485 4.340 -0.000 0.000 0.230 75 L C 1.348 178.179 176.870 -0.064 0.000 1.141 75 L CA 0.482 55.282 54.840 -0.067 0.000 0.877 75 L CB 0.191 42.189 42.059 -0.101 0.000 1.009 75 L HN 0.378 nan 8.230 nan 0.000 0.447 76 G N 0.167 108.938 108.800 -0.049 0.000 2.131 76 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.223 76 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.223 76 G C 0.050 174.927 174.900 -0.039 0.000 0.990 76 G CA -0.354 44.725 45.100 -0.036 0.000 0.671 76 G HN 0.187 nan 8.290 nan 0.000 0.521 77 L N -0.236 120.953 121.223 -0.056 0.000 2.399 77 L HA 0.769 5.109 4.340 -0.000 0.000 0.265 77 L C 0.601 177.508 176.870 0.061 0.000 1.089 77 L CA -0.767 54.047 54.840 -0.043 0.000 0.802 77 L CB 1.177 43.120 42.059 -0.194 0.000 1.180 77 L HN 0.178 nan 8.230 nan 0.000 0.454 78 E N -0.262 120.017 120.200 0.131 0.000 2.369 78 E HA 0.445 4.795 4.350 -0.000 0.000 0.270 78 E C -1.056 175.701 176.600 0.262 0.000 0.909 78 E CA -0.687 55.813 56.400 0.168 0.000 0.775 78 E CB 2.560 32.328 29.700 0.113 0.000 1.270 78 E HN 0.667 nan 8.360 nan 0.000 0.445 79 T N -1.345 113.314 114.554 0.174 0.000 2.952 79 T HA 0.639 4.989 4.350 -0.000 0.000 0.286 79 T C -0.727 174.060 174.700 0.145 0.000 1.024 79 T CA -0.671 61.470 62.100 0.068 0.000 1.029 79 T CB 0.733 69.520 68.868 -0.135 0.000 1.094 79 T HN 0.528 nan 8.240 nan 0.000 0.515 80 Y N -1.431 118.865 120.300 -0.006 0.000 2.609 80 Y HA 0.731 5.281 4.550 -0.000 0.000 0.342 80 Y C -0.817 175.084 175.900 0.002 0.000 1.058 80 Y CA -1.533 56.575 58.100 0.015 0.000 1.055 80 Y CB 1.420 39.909 38.460 0.049 0.000 1.292 80 Y HN 0.629 nan 8.280 nan 0.000 0.476 81 K N 2.324 122.771 120.400 0.078 0.000 2.234 81 K HA 0.429 4.749 4.320 -0.000 0.000 0.282 81 K C -0.797 175.821 176.600 0.030 0.000 1.039 81 K CA -0.779 55.498 56.287 -0.016 0.000 0.928 81 K CB 1.647 34.168 32.500 0.036 0.000 1.039 81 K HN 0.575 nan 8.250 nan 0.000 0.470 82 V N 3.204 123.078 119.914 -0.067 0.000 2.694 82 V HA -0.117 4.003 4.120 -0.000 0.000 0.306 82 V C 0.587 176.716 176.094 0.059 0.000 1.054 82 V CA -0.106 62.210 62.300 0.027 0.000 1.161 82 V CB 0.263 32.085 31.823 -0.002 0.000 0.916 82 V HN 0.731 nan 8.190 nan 0.000 0.490 83 N N 3.792 122.553 118.700 0.102 0.000 2.438 83 N HA 0.028 4.768 4.740 -0.000 0.000 0.267 83 N C 0.219 175.747 175.510 0.030 0.000 1.222 83 N CA 0.482 53.582 53.050 0.083 0.000 0.930 83 N CB 0.263 38.826 38.487 0.127 0.000 1.083 83 N HN 0.817 nan 8.380 nan 0.000 0.476 84 E N 2.979 123.187 120.200 0.014 0.000 3.191 84 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 84 E C 0.265 176.861 176.600 -0.008 0.000 0.972 84 E CA -0.064 56.326 56.400 -0.016 0.000 1.266 84 E CB 0.264 29.939 29.700 -0.040 0.000 1.076 84 E HN 0.444 nan 8.360 nan 0.000 0.462 85 V N 0.427 120.348 119.914 0.012 0.000 2.323 85 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 85 V C 0.942 177.039 176.094 0.006 0.000 1.041 85 V CA 1.545 63.851 62.300 0.010 0.000 1.025 85 V CB -0.112 31.720 31.823 0.015 0.000 0.656 85 V HN 0.251 nan 8.190 nan 0.000 0.451 86 E N -0.661 119.549 120.200 0.017 0.000 3.099 86 E HA 0.408 4.758 4.350 -0.000 0.000 0.259 86 E C 0.164 176.770 176.600 0.011 0.000 1.274 86 E CA -0.658 55.756 56.400 0.022 0.000 1.111 86 E CB 0.277 30.004 29.700 0.045 0.000 1.327 86 E HN 0.294 nan 8.360 nan 0.000 0.652 87 R N 0.216 120.743 120.500 0.044 0.000 2.539 87 R HA 0.295 4.635 4.340 -0.000 0.000 0.275 87 R C -0.502 175.749 176.300 -0.082 0.000 1.077 87 R CA -0.596 55.503 56.100 -0.000 0.000 1.097 87 R CB 0.147 30.510 30.300 0.104 0.000 1.018 87 R HN 0.173 nan 8.270 nan 0.000 0.483 88 L N 2.530 123.530 121.223 -0.371 0.000 2.456 88 L HA 0.371 4.711 4.340 -0.000 0.000 0.257 88 L C 0.208 176.845 176.870 -0.389 0.000 1.162 88 L CA 0.210 54.729 54.840 -0.534 0.000 0.808 88 L CB 0.435 41.872 42.059 -1.037 0.000 1.136 88 L HN 0.463 nan 8.230 nan 0.000 0.466 89 I N 0.304 120.792 120.570 -0.137 0.000 2.498 89 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 89 I C -0.603 175.799 176.117 0.474 0.000 1.032 89 I CA -0.491 60.887 61.300 0.131 0.000 1.073 89 I CB 1.591 39.523 38.000 -0.114 0.000 1.251 89 I HN 0.542 nan 8.210 nan 0.000 0.426 90 H N 5.419 124.804 119.070 0.526 0.000 2.551 90 H HA 0.331 4.887 4.556 -0.000 0.000 0.321 90 H C -1.390 174.178 175.328 0.399 0.000 1.028 90 H CA -0.708 55.596 56.048 0.426 0.000 1.215 90 H CB 0.989 30.924 29.762 0.290 0.000 1.414 90 H HN 0.628 nan 8.280 nan 0.000 0.480 91 H N 4.531 123.681 119.070 0.133 0.000 2.541 91 H HA 0.411 4.967 4.556 -0.000 0.000 0.316 91 H C -1.484 173.809 175.328 -0.059 0.000 1.043 91 H CA -0.448 55.626 56.048 0.044 0.000 1.232 91 H CB 0.895 30.697 29.762 0.067 0.000 1.406 91 H HN 0.344 nan 8.280 nan 0.000 0.469 92 V N 5.836 125.583 119.914 -0.280 0.000 2.808 92 V HA 0.255 4.375 4.120 -0.000 0.000 0.308 92 V C -0.600 175.421 176.094 -0.122 0.000 1.099 92 V CA -0.875 61.315 62.300 -0.183 0.000 0.920 92 V CB 1.507 33.158 31.823 -0.287 0.000 1.014 92 V HN 1.059 nan 8.190 nan 0.000 0.425 93 K N 4.683 125.049 120.400 -0.057 0.000 3.071 93 K HA -0.220 4.100 4.320 -0.000 0.000 0.262 93 K C 0.927 177.485 176.600 -0.071 0.000 0.977 93 K CA 0.897 57.169 56.287 -0.025 0.000 0.721 93 K CB -1.570 30.936 32.500 0.011 0.000 1.293 93 K HN 1.936 nan 8.250 nan 0.000 0.475 94 G N -0.198 108.509 108.800 -0.155 0.000 2.148 94 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.254 94 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.254 94 G C -0.156 174.576 174.900 -0.281 0.000 0.981 94 G CA 1.000 46.035 45.100 -0.109 0.000 0.670 94 G HN 0.385 nan 8.290 nan 0.000 0.528 95 K N -0.053 120.018 120.400 -0.549 0.000 2.375 95 K HA 0.622 4.942 4.320 -0.000 0.000 0.249 95 K C -0.658 175.590 176.600 -0.586 0.000 0.942 95 K CA -0.654 55.364 56.287 -0.449 0.000 0.806 95 K CB 2.019 34.307 32.500 -0.354 0.000 1.227 95 K HN 0.066 nan 8.250 nan 0.000 0.430 96 S N 1.387 116.875 115.700 -0.353 0.000 2.508 96 S HA 0.427 4.897 4.470 -0.000 0.000 0.284 96 S C -1.252 173.120 174.600 -0.380 0.000 1.192 96 S CA -0.535 57.578 58.200 -0.145 0.000 1.070 96 S CB 0.244 63.475 63.200 0.052 0.000 1.004 96 S HN 0.362 nan 8.310 nan 0.000 0.493 97 Y N 2.396 122.778 120.300 0.137 0.000 2.426 97 Y HA 0.357 4.907 4.550 -0.000 0.000 0.325 97 Y C -2.498 173.599 175.900 0.328 0.000 0.989 97 Y CA -2.364 55.856 58.100 0.200 0.000 1.284 97 Y CB 0.920 39.487 38.460 0.179 0.000 1.104 97 Y HN 0.451 nan 8.280 nan 0.000 0.481 98 P HA 0.281 nan 4.420 nan 0.000 0.271 98 P C -0.838 176.753 177.300 0.484 0.000 1.218 98 P CA -0.024 63.300 63.100 0.373 0.000 0.780 98 P CB 0.673 32.581 31.700 0.347 0.000 0.901 99 F N -1.293 118.776 119.950 0.199 0.000 2.741 99 F HA 0.692 5.219 4.527 -0.000 0.000 0.313 99 F C -1.167 174.710 175.800 0.128 0.000 1.153 99 F CA -1.292 56.812 58.000 0.173 0.000 0.931 99 F CB 1.396 40.504 39.000 0.179 0.000 1.335 99 F HN 0.047 nan 8.300 nan 0.000 0.460 100 R N 0.832 121.466 120.500 0.224 0.000 2.854 100 R HA 0.780 5.120 4.340 -0.000 0.000 0.271 100 R C -0.455 175.983 176.300 0.231 0.000 0.994 100 R CA -0.791 55.358 56.100 0.083 0.000 0.945 100 R CB 1.839 32.186 30.300 0.079 0.000 1.194 100 R HN 1.509 nan 8.270 nan 0.000 0.476 101 G N 1.536 110.409 108.800 0.123 0.000 2.707 101 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 101 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 101 G C -2.022 172.982 174.900 0.174 0.000 1.315 101 G CA -0.809 44.378 45.100 0.144 0.000 0.832 101 G HN 0.446 nan 8.290 nan 0.000 0.573 102 P HA 0.080 nan 4.420 nan 0.000 0.219 102 P C 0.511 177.655 177.300 -0.259 0.000 1.150 102 P CA 1.133 64.130 63.100 -0.172 0.000 0.814 102 P CB 0.089 31.542 31.700 -0.412 0.000 0.787 103 F N 0.646 120.598 119.950 0.003 0.000 2.469 103 F HA 0.448 4.975 4.527 -0.000 0.000 0.332 103 F C -2.060 173.505 175.800 -0.393 0.000 1.103 103 F CA -3.076 54.810 58.000 -0.192 0.000 0.979 103 F CB 0.678 39.479 39.000 -0.331 0.000 1.137 103 F HN -0.311 nan 8.300 nan 0.000 0.463 104 P HA 0.075 nan 4.420 nan 0.000 0.267 104 P C -2.433 174.597 177.300 -0.450 0.000 1.205 104 P CA -0.838 61.555 63.100 -1.178 0.000 0.765 104 P CB -0.217 30.932 31.700 -0.918 0.000 0.828 105 P HA 0.063 nan 4.420 nan 0.000 0.271 105 P C -0.893 176.284 177.300 -0.204 0.000 1.216 105 P CA 0.193 63.176 63.100 -0.194 0.000 0.776 105 P CB 0.603 32.245 31.700 -0.096 0.000 0.881 106 V N 3.086 122.851 119.914 -0.249 0.000 2.444 106 V HA 0.211 4.331 4.120 -0.000 0.000 0.294 106 V C 0.313 176.296 176.094 -0.185 0.000 1.022 106 V CA -0.209 61.981 62.300 -0.183 0.000 0.850 106 V CB 1.512 33.175 31.823 -0.268 0.000 0.992 106 V HN 0.677 nan 8.190 nan 0.000 0.426 107 W N 1.089 122.368 121.300 -0.034 0.000 2.640 107 W HA 0.200 4.860 4.660 0.000 0.000 0.271 107 W C 1.402 177.908 176.519 -0.021 0.000 1.218 107 W CA -0.110 57.212 57.345 -0.038 0.000 1.382 107 W CB 0.303 29.739 29.460 -0.040 0.000 1.067 107 W HN 0.515 nan 8.180 nan 0.000 0.590 108 N N 2.099 120.919 118.700 0.201 0.000 2.440 108 N HA -0.036 4.704 4.740 -0.000 0.000 0.265 108 N C -1.770 173.818 175.510 0.131 0.000 1.239 108 N CA -0.537 52.596 53.050 0.138 0.000 0.909 108 N CB 1.328 39.877 38.487 0.104 0.000 1.066 108 N HN -0.135 nan 8.380 nan 0.000 0.474 109 P HA -0.165 nan 4.420 nan 0.000 0.215 109 P C 1.549 178.926 177.300 0.129 0.000 1.157 109 P CA 0.984 64.143 63.100 0.099 0.000 0.874 109 P CB 0.297 32.033 31.700 0.060 0.000 0.790 110 I N -0.988 119.641 120.570 0.097 0.000 2.202 110 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 110 I C 2.018 178.198 176.117 0.105 0.000 1.091 110 I CA 1.901 63.251 61.300 0.082 0.000 1.368 110 I CB -2.068 35.973 38.000 0.068 0.000 1.058 110 I HN 0.021 nan 8.210 nan 0.000 0.410 111 T N 0.394 115.024 114.554 0.126 0.000 2.746 111 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 111 T C 1.881 176.685 174.700 0.173 0.000 1.039 111 T CA 1.393 63.590 62.100 0.162 0.000 1.142 111 T CB -0.627 68.322 68.868 0.134 0.000 0.866 111 T HN 0.317 nan 8.240 nan 0.000 0.444 112 Y N 1.897 122.204 120.300 0.013 0.000 2.128 112 Y HA -0.138 4.412 4.550 0.000 0.000 0.284 112 Y C 2.032 177.943 175.900 0.018 0.000 1.154 112 Y CA 1.224 59.306 58.100 -0.030 0.000 1.149 112 Y CB -0.498 37.911 38.460 -0.085 0.000 0.976 112 Y HN 0.106 nan 8.280 nan 0.000 0.505 113 L N -0.144 121.115 121.223 0.060 0.000 2.042 113 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 113 L C 2.192 179.009 176.870 -0.089 0.000 1.076 113 L CA 1.773 56.590 54.840 -0.038 0.000 0.749 113 L CB -0.667 41.403 42.059 0.017 0.000 0.893 113 L HN 0.249 nan 8.230 nan 0.000 0.432 114 D N -0.891 119.501 120.400 -0.014 0.000 2.097 114 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 114 D C 2.194 178.473 176.300 -0.034 0.000 0.989 114 D CA 1.263 55.261 54.000 -0.003 0.000 0.827 114 D CB 0.027 40.860 40.800 0.056 0.000 0.966 114 D HN 0.294 nan 8.370 nan 0.000 0.456 115 H N -0.161 118.836 119.070 -0.121 0.000 2.319 115 H HA -0.121 4.435 4.556 0.000 0.000 0.299 115 H C 2.154 177.425 175.328 -0.095 0.000 1.092 115 H CA 1.268 57.259 56.048 -0.096 0.000 1.302 115 H CB -0.209 29.508 29.762 -0.074 0.000 1.373 115 H HN 0.292 nan 8.280 nan 0.000 0.497 116 N N 1.087 119.674 118.700 -0.188 0.000 2.069 116 N HA -0.179 4.561 4.740 -0.000 0.000 0.191 116 N C 1.818 177.237 175.510 -0.151 0.000 1.031 116 N CA 0.893 53.781 53.050 -0.269 0.000 0.852 116 N CB -0.210 37.966 38.487 -0.519 0.000 1.018 116 N HN 0.402 nan 8.380 nan 0.000 0.423 117 N N -0.071 118.549 118.700 -0.134 0.000 2.188 117 N HA -0.177 4.562 4.740 -0.000 0.000 0.184 117 N C 1.872 177.315 175.510 -0.112 0.000 1.018 117 N CA 0.668 53.651 53.050 -0.112 0.000 0.858 117 N CB -0.269 38.164 38.487 -0.089 0.000 0.989 117 N HN 0.236 nan 8.380 nan 0.000 0.426 118 F N 0.777 120.570 119.950 -0.262 0.000 2.046 118 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 118 F C 1.762 177.338 175.800 -0.373 0.000 1.123 118 F CA 1.708 59.477 58.000 -0.385 0.000 1.199 118 F CB -0.962 37.665 39.000 -0.622 0.000 0.972 118 F HN 0.056 nan 8.300 nan 0.000 0.474 119 W N 0.649 121.606 121.300 -0.571 0.000 2.358 119 W HA -0.099 4.561 4.660 -0.000 0.000 0.303 119 W C 2.848 179.069 176.519 -0.497 0.000 1.208 119 W CA 1.551 58.491 57.345 -0.675 0.000 1.274 119 W CB -0.714 28.439 29.460 -0.510 0.000 1.138 119 W HN -0.050 nan 8.180 nan 0.000 0.515 120 R N 0.114 120.518 120.500 -0.159 0.000 2.083 120 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 120 R C 1.917 178.103 176.300 -0.190 0.000 1.137 120 R CA 2.265 58.265 56.100 -0.166 0.000 0.951 120 R CB -0.678 29.527 30.300 -0.160 0.000 0.851 120 R HN 0.053 nan 8.270 nan 0.000 0.434 121 T N 1.137 115.554 114.554 -0.230 0.000 2.821 121 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 121 T C 1.819 176.369 174.700 -0.250 0.000 1.046 121 T CA 1.206 63.181 62.100 -0.207 0.000 1.139 121 T CB -0.041 68.724 68.868 -0.172 0.000 0.871 121 T HN 0.153 nan 8.240 nan 0.000 0.454 122 M N 1.718 121.098 119.600 -0.367 0.000 2.082 122 M HA -0.116 4.364 4.480 -0.000 0.000 0.258 122 M C 1.823 178.006 176.300 -0.195 0.000 1.069 122 M CA 1.552 56.667 55.300 -0.308 0.000 1.102 122 M CB -1.091 31.268 32.600 -0.400 0.000 1.336 122 M HN 0.189 nan 8.290 nan 0.000 0.404 123 D N 0.269 120.566 120.400 -0.172 0.000 2.149 123 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 123 D C 1.604 177.840 176.300 -0.107 0.000 0.972 123 D CA 0.954 54.877 54.000 -0.128 0.000 0.835 123 D CB -0.289 40.442 40.800 -0.114 0.000 0.966 123 D HN 0.285 nan 8.370 nan 0.000 0.476 124 D N 0.484 120.818 120.400 -0.109 0.000 2.092 124 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 124 D C 2.213 178.499 176.300 -0.023 0.000 0.994 124 D CA 0.859 54.818 54.000 -0.068 0.000 0.828 124 D CB -0.269 40.488 40.800 -0.071 0.000 0.963 124 D HN 0.230 nan 8.370 nan 0.000 0.450 125 M N 0.180 119.741 119.600 -0.066 0.000 2.117 125 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 125 M C 2.350 178.689 176.300 0.064 0.000 1.065 125 M CA 1.658 56.934 55.300 -0.041 0.000 1.114 125 M CB -0.506 31.828 32.600 -0.444 0.000 1.361 125 M HN 0.042 nan 8.290 nan 0.000 0.408 126 G N 0.352 109.132 108.800 -0.034 0.000 2.442 126 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 126 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 126 G C 1.607 176.505 174.900 -0.004 0.000 1.141 126 G CA 0.701 45.785 45.100 -0.027 0.000 0.763 126 G HN 0.419 nan 8.290 nan 0.000 0.554 127 R N 0.112 120.605 120.500 -0.011 0.000 2.241 127 R HA -0.009 4.331 4.340 -0.000 0.000 0.224 127 R C 1.722 178.026 176.300 0.008 0.000 1.101 127 R CA 0.871 56.959 56.100 -0.021 0.000 0.995 127 R CB 0.033 30.314 30.300 -0.031 0.000 0.870 127 R HN 0.262 nan 8.270 nan 0.000 0.463 128 E N 0.267 120.511 120.200 0.073 0.000 2.489 128 E HA 0.088 4.438 4.350 -0.000 0.000 0.193 128 E C 0.107 176.733 176.600 0.043 0.000 1.057 128 E CA 0.359 56.797 56.400 0.063 0.000 0.866 128 E CB 0.377 30.145 29.700 0.115 0.000 0.916 128 E HN 0.324 nan 8.360 nan 0.000 0.500 129 I N 2.778 123.389 120.570 0.069 0.000 2.328 129 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 129 I C -2.396 173.721 176.117 0.000 0.000 1.012 129 I CA -2.348 58.989 61.300 0.062 0.000 1.195 129 I CB 1.424 39.526 38.000 0.171 0.000 1.350 129 I HN -0.336 nan 8.210 nan 0.000 0.464 130 P HA 0.120 nan 4.420 nan 0.000 0.267 130 P C 0.506 177.774 177.300 -0.054 0.000 1.205 130 P CA 0.139 63.170 63.100 -0.115 0.000 0.765 130 P CB 0.929 32.507 31.700 -0.204 0.000 0.828 131 S N 2.045 117.728 115.700 -0.029 0.000 2.383 131 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 131 S C 1.241 175.935 174.600 0.156 0.000 1.030 131 S CA 1.812 60.069 58.200 0.096 0.000 1.002 131 S CB -0.580 62.586 63.200 -0.056 0.000 0.829 131 S HN 0.677 nan 8.310 nan 0.000 0.467 132 D N 0.365 120.715 120.400 -0.085 0.000 2.339 132 D HA 0.286 4.926 4.640 -0.000 0.000 0.217 132 D C 0.273 176.349 176.300 -0.373 0.000 1.050 132 D CA 0.318 54.223 54.000 -0.159 0.000 0.856 132 D CB 0.091 40.737 40.800 -0.257 0.000 0.922 132 D HN 0.270 nan 8.370 nan 0.000 0.518 133 A N 1.121 123.560 122.820 -0.635 0.000 3.330 133 A HA 0.343 4.663 4.320 -0.000 0.000 0.256 133 A C -2.148 174.643 177.584 -1.321 0.000 1.185 133 A CA -0.752 50.423 52.037 -1.436 0.000 0.940 133 A CB 0.794 19.233 19.000 -0.935 0.000 1.397 133 A HN -0.103 nan 8.150 nan 0.000 0.678 134 P HA -0.183 nan 4.420 nan 0.000 0.219 134 P C 1.241 178.354 177.300 -0.312 0.000 1.146 134 P CA 1.543 64.351 63.100 -0.488 0.000 0.808 134 P CB -0.342 31.061 31.700 -0.495 0.000 0.779 135 W N 0.844 122.076 121.300 -0.112 0.000 2.721 135 W HA 0.109 4.769 4.660 0.000 0.000 0.245 135 W C 1.321 177.796 176.519 -0.072 0.000 1.276 135 W CA 0.382 57.679 57.345 -0.080 0.000 1.342 135 W CB -1.427 27.981 29.460 -0.086 0.000 1.135 135 W HN -0.101 nan 8.180 nan 0.000 0.654 136 K N 0.820 121.037 120.400 -0.305 0.000 2.404 136 K HA 0.307 4.627 4.320 -0.000 0.000 0.194 136 K C 1.030 177.540 176.600 -0.150 0.000 1.023 136 K CA 0.178 56.360 56.287 -0.175 0.000 1.094 136 K CB -0.023 32.330 32.500 -0.244 0.000 0.841 136 K HN 0.098 nan 8.250 nan 0.000 0.523 137 A N 2.341 125.070 122.820 -0.151 0.000 2.531 137 A HA 0.076 4.396 4.320 -0.000 0.000 0.236 137 A C -1.622 175.832 177.584 -0.218 0.000 1.062 137 A CA -0.973 50.966 52.037 -0.163 0.000 0.760 137 A CB 0.074 18.994 19.000 -0.133 0.000 0.995 137 A HN -0.009 nan 8.150 nan 0.000 0.501 138 P HA -0.136 nan 4.420 nan 0.000 0.216 138 P C 0.488 177.594 177.300 -0.323 0.000 1.150 138 P CA 1.269 64.229 63.100 -0.234 0.000 0.843 138 P CB 0.047 31.625 31.700 -0.204 0.000 0.787 139 L N -2.314 118.556 121.223 -0.587 0.000 3.062 139 L HA 0.360 4.700 4.340 -0.000 0.000 0.255 139 L C 1.829 178.299 176.870 -0.667 0.000 1.274 139 L CA -0.315 54.087 54.840 -0.730 0.000 1.047 139 L CB -0.437 40.921 42.059 -1.169 0.000 1.402 139 L HN -0.108 nan 8.230 nan 0.000 0.550 140 A N 0.549 123.158 122.820 -0.351 0.000 1.892 140 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 140 A C 2.185 179.768 177.584 -0.002 0.000 1.188 140 A CA 1.828 53.799 52.037 -0.110 0.000 0.631 140 A CB -0.163 18.826 19.000 -0.018 0.000 0.822 140 A HN 0.521 nan 8.150 nan 0.000 0.447 141 E N -0.966 119.218 120.200 -0.027 0.000 2.047 141 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 141 E C 2.134 178.771 176.600 0.061 0.000 0.987 141 E CA 1.116 57.533 56.400 0.028 0.000 0.799 141 E CB -0.236 29.468 29.700 0.007 0.000 0.752 141 E HN 0.825 nan 8.360 nan 0.000 0.449 142 E N 0.235 120.443 120.200 0.013 0.000 2.070 142 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 142 E C 1.752 178.521 176.600 0.282 0.000 1.004 142 E CA 1.386 57.842 56.400 0.095 0.000 0.805 142 E CB -0.023 29.694 29.700 0.028 0.000 0.744 142 E HN 0.287 nan 8.360 nan 0.000 0.451 143 W N 0.887 122.230 121.300 0.072 0.000 2.436 143 W HA -0.033 4.627 4.660 0.000 0.000 0.284 143 W C 1.969 178.559 176.519 0.118 0.000 1.225 143 W CA 0.716 58.116 57.345 0.092 0.000 1.271 143 W CB -1.026 28.489 29.460 0.092 0.000 1.114 143 W HN 0.229 nan 8.180 nan 0.000 0.559 144 D N -0.269 120.330 120.400 0.332 0.000 2.269 144 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 144 D C 1.259 177.686 176.300 0.212 0.000 0.963 144 D CA 0.923 55.082 54.000 0.265 0.000 0.864 144 D CB -0.226 40.705 40.800 0.218 0.000 0.936 144 D HN -0.106 nan 8.370 nan 0.000 0.505 145 N N -0.375 118.434 118.700 0.183 0.000 2.383 145 N HA 0.089 4.829 4.740 -0.000 0.000 0.192 145 N C -0.169 175.421 175.510 0.133 0.000 1.141 145 N CA 0.122 53.255 53.050 0.139 0.000 0.851 145 N CB 0.244 38.796 38.487 0.109 0.000 0.976 145 N HN 0.312 nan 8.380 nan 0.000 0.465 146 M N 0.305 120.000 119.600 0.159 0.000 2.465 146 M HA 0.211 4.691 4.480 -0.000 0.000 0.316 146 M C -0.211 176.168 176.300 0.132 0.000 1.121 146 M CA -0.578 54.801 55.300 0.132 0.000 0.934 146 M CB 1.815 34.501 32.600 0.143 0.000 1.692 146 M HN 0.013 nan 8.290 nan 0.000 0.444 147 T N 0.551 115.164 114.554 0.098 0.000 2.849 147 T HA 0.240 4.590 4.350 -0.000 0.000 0.284 147 T C 1.137 175.870 174.700 0.055 0.000 1.004 147 T CA -0.850 61.304 62.100 0.089 0.000 1.021 147 T CB 0.875 69.787 68.868 0.075 0.000 1.013 147 T HN 0.690 nan 8.240 nan 0.000 0.527 148 M N 0.298 119.911 119.600 0.022 0.000 2.279 148 M HA -0.015 4.465 4.480 -0.000 0.000 0.264 148 M C 2.178 178.441 176.300 -0.063 0.000 1.062 148 M CA 1.508 56.780 55.300 -0.047 0.000 1.099 148 M CB -1.278 31.211 32.600 -0.185 0.000 1.394 148 M HN 0.861 nan 8.290 nan 0.000 0.426 149 K N 0.624 120.998 120.400 -0.043 0.000 2.026 149 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 149 K C 1.698 178.280 176.600 -0.031 0.000 1.048 149 K CA 1.592 57.858 56.287 -0.034 0.000 0.929 149 K CB 0.026 32.538 32.500 0.021 0.000 0.713 149 K HN 0.383 nan 8.250 nan 0.000 0.439 150 E N 0.547 120.743 120.200 -0.007 0.000 2.085 150 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 150 E C 2.028 178.618 176.600 -0.018 0.000 0.994 150 E CA 1.153 57.548 56.400 -0.008 0.000 0.801 150 E CB -0.130 29.581 29.700 0.018 0.000 0.743 150 E HN 0.198 nan 8.360 nan 0.000 0.453 151 L N 1.010 122.223 121.223 -0.016 0.000 2.056 151 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 151 L C 2.046 178.898 176.870 -0.030 0.000 1.078 151 L CA 1.501 56.326 54.840 -0.025 0.000 0.749 151 L CB -0.304 41.733 42.059 -0.038 0.000 0.901 151 L HN 0.110 nan 8.230 nan 0.000 0.433 152 L N -0.774 120.420 121.223 -0.049 0.000 2.083 152 L HA -0.198 4.141 4.340 -0.000 0.000 0.209 152 L C 2.202 179.009 176.870 -0.104 0.000 1.083 152 L CA 1.198 55.986 54.840 -0.087 0.000 0.752 152 L CB -0.908 41.062 42.059 -0.147 0.000 0.899 152 L HN 0.267 nan 8.230 nan 0.000 0.433 153 D N 0.380 120.723 120.400 -0.096 0.000 2.149 153 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 153 D C 2.196 178.412 176.300 -0.140 0.000 0.990 153 D CA 1.225 55.154 54.000 -0.118 0.000 0.839 153 D CB 0.021 40.763 40.800 -0.096 0.000 0.948 153 D HN 0.309 nan 8.370 nan 0.000 0.460 154 K N -0.345 120.002 120.400 -0.089 0.000 2.116 154 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 154 K C 1.917 178.509 176.600 -0.015 0.000 1.052 154 K CA 0.258 56.504 56.287 -0.068 0.000 0.952 154 K CB 0.058 32.550 32.500 -0.012 0.000 0.729 154 K HN 0.027 nan 8.250 nan 0.000 0.446 155 L N 0.690 121.923 121.223 0.015 0.000 2.162 155 L HA 0.047 4.387 4.340 -0.000 0.000 0.205 155 L C 0.159 177.125 176.870 0.159 0.000 1.086 155 L CA 1.052 55.953 54.840 0.102 0.000 0.778 155 L CB 0.273 42.381 42.059 0.081 0.000 0.928 155 L HN 0.038 nan 8.230 nan 0.000 0.446 156 C N -0.101 119.212 119.300 0.022 0.000 2.246 156 C HA 0.175 4.635 4.460 -0.000 0.000 0.329 156 C C 0.718 175.721 174.990 0.022 0.000 1.221 156 C CA -0.781 58.236 59.018 -0.003 0.000 1.697 156 C CB -1.127 26.504 27.740 -0.181 0.000 2.312 156 C HN 0.605 nan 8.230 nan 0.000 0.509 157 W N 1.868 123.120 121.300 -0.079 0.000 3.197 157 W HA 0.134 4.794 4.660 -0.000 0.000 0.274 157 W C 1.418 177.911 176.519 -0.043 0.000 1.297 157 W CA 0.113 57.428 57.345 -0.050 0.000 1.662 157 W CB -0.091 29.350 29.460 -0.031 0.000 1.106 157 W HN 0.682 nan 8.180 nan 0.000 0.663 158 T N -3.590 111.033 114.554 0.115 0.000 2.887 158 T HA 0.296 4.646 4.350 -0.000 0.000 0.288 158 T C 0.837 175.528 174.700 -0.015 0.000 1.021 158 T CA -0.628 61.508 62.100 0.060 0.000 1.000 158 T CB 2.591 71.513 68.868 0.090 0.000 1.034 158 T HN -0.222 nan 8.240 nan 0.000 0.467 159 E N 1.100 121.296 120.200 -0.007 0.000 2.150 159 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 159 E C 2.135 178.723 176.600 -0.020 0.000 0.985 159 E CA 1.214 57.597 56.400 -0.027 0.000 0.814 159 E CB -0.415 29.280 29.700 -0.009 0.000 0.752 159 E HN 0.737 nan 8.360 nan 0.000 0.466 160 S N 0.593 116.314 115.700 0.036 0.000 2.353 160 S HA -0.201 4.269 4.470 -0.000 0.000 0.222 160 S C 2.079 176.685 174.600 0.010 0.000 1.035 160 S CA 1.670 59.941 58.200 0.119 0.000 1.025 160 S CB -0.103 63.244 63.200 0.245 0.000 0.902 160 S HN 0.307 nan 8.310 nan 0.000 0.440 161 A N 1.272 123.956 122.820 -0.226 0.000 1.898 161 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 161 A C 2.186 179.424 177.584 -0.577 0.000 1.181 161 A CA 1.797 53.394 52.037 -0.732 0.000 0.620 161 A CB -0.749 17.855 19.000 -0.660 0.000 0.819 161 A HN 0.644 nan 8.150 nan 0.000 0.442 162 K N -0.490 119.692 120.400 -0.363 0.000 2.097 162 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 162 K C 2.232 178.681 176.600 -0.251 0.000 1.049 162 K CA 1.704 57.794 56.287 -0.327 0.000 0.933 162 K CB -0.192 32.185 32.500 -0.205 0.000 0.717 162 K HN 0.640 nan 8.250 nan 0.000 0.442 163 Q N 0.280 119.992 119.800 -0.146 0.000 2.050 163 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 163 Q C 2.135 178.117 176.000 -0.029 0.000 0.980 163 Q CA 1.419 57.191 55.803 -0.051 0.000 0.840 163 Q CB -0.089 28.663 28.738 0.023 0.000 0.898 163 Q HN 0.223 nan 8.270 nan 0.000 0.424 164 L N 0.358 121.550 121.223 -0.052 0.000 2.093 164 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 164 L C 2.108 178.930 176.870 -0.081 0.000 1.085 164 L CA 1.824 56.679 54.840 0.026 0.000 0.755 164 L CB -0.687 41.437 42.059 0.108 0.000 0.904 164 L HN 0.125 nan 8.230 nan 0.000 0.435 165 A N -1.587 120.963 122.820 -0.451 0.000 1.933 165 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 165 A C 2.259 179.741 177.584 -0.171 0.000 1.175 165 A CA 2.282 53.942 52.037 -0.628 0.000 0.628 165 A CB -1.151 17.009 19.000 -1.400 0.000 0.814 165 A HN 0.494 nan 8.150 nan 0.000 0.444 166 T N 0.072 114.526 114.554 -0.166 0.000 2.708 166 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 166 T C 1.872 176.564 174.700 -0.013 0.000 1.037 166 T CA 1.355 63.397 62.100 -0.097 0.000 1.146 166 T CB -0.398 68.422 68.868 -0.080 0.000 0.865 166 T HN 0.416 nan 8.240 nan 0.000 0.435 167 L N 0.310 121.573 121.223 0.065 0.000 2.012 167 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 167 L C 2.244 179.223 176.870 0.183 0.000 1.073 167 L CA 1.581 56.502 54.840 0.136 0.000 0.748 167 L CB -0.433 41.746 42.059 0.200 0.000 0.891 167 L HN 0.212 nan 8.230 nan 0.000 0.431 168 F N -0.103 119.907 119.950 0.100 0.000 2.091 168 F HA -0.261 4.266 4.527 0.000 0.000 0.299 168 F C 2.089 177.991 175.800 0.171 0.000 1.103 168 F CA 2.214 60.335 58.000 0.201 0.000 1.228 168 F CB -0.774 38.430 39.000 0.341 0.000 0.984 168 F HN -0.099 nan 8.300 nan 0.000 0.477 169 V N 1.064 120.872 119.914 -0.176 0.000 2.295 169 V HA -0.354 3.766 4.120 -0.000 0.000 0.246 169 V C 2.073 178.015 176.094 -0.253 0.000 1.049 169 V CA 2.441 64.454 62.300 -0.478 0.000 1.024 169 V CB -1.089 30.336 31.823 -0.663 0.000 0.648 169 V HN 0.421 nan 8.190 nan 0.000 0.447 170 N N 0.108 118.717 118.700 -0.152 0.000 2.094 170 N HA -0.222 4.518 4.740 -0.000 0.000 0.191 170 N C 1.740 177.203 175.510 -0.077 0.000 1.023 170 N CA 1.361 54.347 53.050 -0.106 0.000 0.857 170 N CB -0.220 38.248 38.487 -0.033 0.000 1.013 170 N HN 0.332 nan 8.380 nan 0.000 0.426 171 L N 0.668 121.878 121.223 -0.020 0.000 2.109 171 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 171 L C 2.001 178.910 176.870 0.064 0.000 1.086 171 L CA 1.352 56.204 54.840 0.020 0.000 0.760 171 L CB -0.505 41.568 42.059 0.024 0.000 0.910 171 L HN 0.218 nan 8.230 nan 0.000 0.437 172 C N -1.342 117.964 119.300 0.011 0.000 2.446 172 C HA -0.016 4.444 4.460 -0.000 0.000 0.277 172 C C 2.206 177.292 174.990 0.161 0.000 1.275 172 C CA 0.988 60.063 59.018 0.095 0.000 1.727 172 C CB -0.485 27.238 27.740 -0.029 0.000 2.010 172 C HN 0.556 nan 8.230 nan 0.000 0.486 173 V N -2.050 117.873 119.914 0.015 0.000 3.276 173 V HA 0.303 4.423 4.120 -0.000 0.000 0.319 173 V C 0.716 176.699 176.094 -0.185 0.000 1.476 173 V CA 0.766 63.042 62.300 -0.040 0.000 1.097 173 V CB -1.315 30.587 31.823 0.131 0.000 0.988 173 V HN 0.531 nan 8.190 nan 0.000 0.473 174 T N -1.391 112.974 114.554 -0.315 0.000 3.852 174 T HA -0.079 4.271 4.350 -0.000 0.000 0.361 174 T C 0.128 174.669 174.700 -0.264 0.000 0.759 174 T CA 1.333 63.218 62.100 -0.358 0.000 1.899 174 T CB -2.570 65.951 68.868 -0.580 0.000 1.822 174 T HN 2.456 nan 8.240 nan 0.000 0.778 175 A N -0.278 122.372 122.820 -0.284 0.000 2.587 175 A HA 0.732 5.052 4.320 -0.000 0.000 0.293 175 A C -0.415 176.952 177.584 -0.360 0.000 1.087 175 A CA -1.061 50.730 52.037 -0.411 0.000 0.692 175 A CB 1.253 19.782 19.000 -0.784 0.000 1.291 175 A HN 0.342 nan 8.150 nan 0.000 0.407 176 E N 0.493 120.438 120.200 -0.425 0.000 2.349 176 E HA 0.251 4.601 4.350 -0.000 0.000 0.265 176 E C 1.234 177.529 176.600 -0.508 0.000 1.064 176 E CA 0.513 56.634 56.400 -0.465 0.000 0.886 176 E CB 0.907 30.169 29.700 -0.731 0.000 1.036 176 E HN 0.799 nan 8.360 nan 0.000 0.413 177 T N -1.407 112.919 114.554 -0.380 0.000 2.833 177 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 177 T C 1.437 176.013 174.700 -0.207 0.000 1.054 177 T CA 1.633 63.566 62.100 -0.278 0.000 1.135 177 T CB -0.381 68.375 68.868 -0.188 0.000 0.869 177 T HN 0.623 nan 8.240 nan 0.000 0.466 178 H N 0.584 119.594 119.070 -0.099 0.000 2.555 178 H HA 0.254 4.809 4.556 -0.000 0.000 0.269 178 H C 1.461 176.760 175.328 -0.049 0.000 0.988 178 H CA 0.771 56.781 56.048 -0.064 0.000 1.178 178 H CB -0.178 29.547 29.762 -0.061 0.000 1.373 178 H HN 0.502 nan 8.280 nan 0.000 0.588 179 E N 1.345 121.361 120.200 -0.305 0.000 2.250 179 E HA 0.042 4.392 4.350 -0.000 0.000 0.192 179 E C 0.804 177.375 176.600 -0.048 0.000 0.986 179 E CA 0.466 56.765 56.400 -0.168 0.000 0.849 179 E CB 0.798 30.253 29.700 -0.408 0.000 0.797 179 E HN 0.362 nan 8.360 nan 0.000 0.482 180 V N -1.035 118.841 119.914 -0.064 0.000 2.667 180 V HA 0.423 4.543 4.120 -0.000 0.000 0.308 180 V C -0.010 176.220 176.094 0.228 0.000 1.048 180 V CA -1.163 61.210 62.300 0.121 0.000 0.928 180 V CB 1.848 33.780 31.823 0.182 0.000 1.004 180 V HN -0.031 nan 8.190 nan 0.000 0.444 181 S N 3.225 119.136 115.700 0.352 0.000 2.549 181 S HA 0.441 4.911 4.470 -0.000 0.000 0.286 181 S C 1.437 176.283 174.600 0.409 0.000 1.314 181 S CA 0.198 58.617 58.200 0.364 0.000 1.062 181 S CB 0.950 64.402 63.200 0.419 0.000 0.865 181 S HN 1.756 nan 8.310 nan 0.000 0.498 182 A N 4.863 127.856 122.820 0.289 0.000 1.902 182 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 182 A C 2.024 179.786 177.584 0.296 0.000 1.181 182 A CA 1.587 53.768 52.037 0.241 0.000 0.623 182 A CB -0.940 18.128 19.000 0.113 0.000 0.818 182 A HN 0.949 nan 8.150 nan 0.000 0.443 183 L N -1.387 120.055 121.223 0.365 0.000 1.989 183 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 183 L C 2.241 179.348 176.870 0.396 0.000 1.071 183 L CA 2.617 57.705 54.840 0.412 0.000 0.749 183 L CB -0.839 41.464 42.059 0.407 0.000 0.890 183 L HN 0.662 nan 8.230 nan 0.000 0.431 184 W N -0.606 120.858 121.300 0.273 0.000 2.358 184 W HA -0.294 4.366 4.660 0.000 0.000 0.303 184 W C 2.355 179.137 176.519 0.438 0.000 1.208 184 W CA 1.968 59.492 57.345 0.298 0.000 1.274 184 W CB -0.657 28.952 29.460 0.249 0.000 1.138 184 W HN 0.292 nan 8.180 nan 0.000 0.515 185 F N 0.674 120.683 119.950 0.099 0.000 2.186 185 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 185 F C 2.059 177.776 175.800 -0.139 0.000 1.090 185 F CA 2.020 59.880 58.000 -0.233 0.000 1.307 185 F CB -0.607 38.389 39.000 -0.007 0.000 1.019 185 F HN -0.173 nan 8.300 nan 0.000 0.489 186 L N -1.330 119.912 121.223 0.030 0.000 2.093 186 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 186 L C 2.274 179.076 176.870 -0.114 0.000 1.085 186 L CA 1.542 56.343 54.840 -0.065 0.000 0.755 186 L CB -0.970 41.083 42.059 -0.011 0.000 0.904 186 L HN 0.436 nan 8.230 nan 0.000 0.435 187 W N 0.056 121.234 121.300 -0.203 0.000 2.355 187 W HA -0.311 4.349 4.660 0.000 0.000 0.309 187 W C 2.624 178.936 176.519 -0.345 0.000 1.206 187 W CA 1.553 58.762 57.345 -0.227 0.000 1.284 187 W CB -0.645 28.713 29.460 -0.169 0.000 1.145 187 W HN 0.102 nan 8.180 nan 0.000 0.502 188 Y N 0.652 120.508 120.300 -0.740 0.000 2.114 188 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 188 Y C 2.384 177.744 175.900 -0.901 0.000 1.165 188 Y CA 3.086 60.554 58.100 -1.053 0.000 1.148 188 Y CB -0.812 36.994 38.460 -1.090 0.000 0.972 188 Y HN -0.135 nan 8.280 nan 0.000 0.504 189 V N 0.880 120.389 119.914 -0.674 0.000 2.307 189 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 189 V C 2.497 178.276 176.094 -0.526 0.000 1.045 189 V CA 2.195 64.180 62.300 -0.525 0.000 1.024 189 V CB -0.684 30.919 31.823 -0.366 0.000 0.651 189 V HN 0.318 nan 8.190 nan 0.000 0.449 190 K N 1.158 121.264 120.400 -0.490 0.000 2.057 190 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 190 K C 2.138 178.412 176.600 -0.542 0.000 1.049 190 K CA 2.273 58.309 56.287 -0.419 0.000 0.931 190 K CB -0.175 32.148 32.500 -0.296 0.000 0.714 190 K HN 0.716 nan 8.250 nan 0.000 0.440 191 Q N -0.773 118.555 119.800 -0.786 0.000 2.472 191 Q HA -0.003 4.337 4.340 -0.000 0.000 0.208 191 Q C 1.573 177.070 176.000 -0.838 0.000 0.958 191 Q CA 1.020 56.357 55.803 -0.777 0.000 0.932 191 Q CB -0.507 27.594 28.738 -1.061 0.000 1.007 191 Q HN 0.161 nan 8.270 nan 0.000 0.508 192 C N -0.270 118.397 119.300 -1.056 0.000 2.799 192 C HA 0.589 5.049 4.460 -0.000 0.000 0.267 192 C C 1.592 175.829 174.990 -1.256 0.000 1.257 192 C CA 0.275 58.288 59.018 -1.676 0.000 1.702 192 C CB -0.728 26.051 27.740 -1.602 0.000 1.934 192 C HN 0.829 nan 8.230 nan 0.000 0.594 193 G N -0.173 108.227 108.800 -0.666 0.000 2.168 193 G HA2 0.326 4.286 3.960 -0.000 0.000 0.197 193 G HA3 0.326 4.286 3.960 -0.000 0.000 0.197 193 G C 0.430 175.164 174.900 -0.275 0.000 0.997 193 G CA -0.027 44.849 45.100 -0.374 0.000 0.658 193 G HN 1.604 nan 8.290 nan 0.000 0.513 194 G N -1.912 106.705 108.800 -0.305 0.000 2.592 194 G HA2 0.338 4.298 3.960 -0.000 0.000 0.684 194 G HA3 0.338 4.298 3.960 -0.000 0.000 0.684 194 G C 1.025 175.867 174.900 -0.096 0.000 1.291 194 G CA 0.970 45.961 45.100 -0.182 0.000 0.891 194 G HN 1.821 nan 8.290 nan 0.000 0.544 195 T N -2.867 111.680 114.554 -0.012 0.000 2.674 195 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 195 T C 2.363 177.068 174.700 0.010 0.000 1.039 195 T CA 3.022 65.171 62.100 0.081 0.000 1.150 195 T CB -0.932 68.032 68.868 0.160 0.000 0.864 195 T HN 1.014 nan 8.240 nan 0.000 0.427 196 T N 1.374 115.932 114.554 0.007 0.000 2.684 196 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 196 T C 2.134 176.790 174.700 -0.074 0.000 1.036 196 T CA 1.626 63.706 62.100 -0.033 0.000 1.148 196 T CB -0.348 68.537 68.868 0.028 0.000 0.863 196 T HN 0.317 nan 8.240 nan 0.000 0.436 197 R N 0.856 121.331 120.500 -0.042 0.000 2.081 197 R HA 0.134 4.474 4.340 -0.000 0.000 0.235 197 R C 2.209 178.542 176.300 0.056 0.000 1.131 197 R CA 1.173 57.274 56.100 0.001 0.000 0.960 197 R CB -0.821 29.468 30.300 -0.018 0.000 0.856 197 R HN 0.460 nan 8.270 nan 0.000 0.436 198 I N 0.258 120.838 120.570 0.016 0.000 2.439 198 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 198 I C 1.511 177.709 176.117 0.134 0.000 1.139 198 I CA 1.124 62.491 61.300 0.111 0.000 1.438 198 I CB 0.076 38.127 38.000 0.084 0.000 1.085 198 I HN 0.319 nan 8.210 nan 0.000 0.427 199 I N -2.502 118.086 120.570 0.031 0.000 3.603 199 I HA 0.148 4.318 4.170 -0.000 0.000 0.297 199 I C 0.751 176.785 176.117 -0.139 0.000 1.269 199 I CA 0.067 61.328 61.300 -0.065 0.000 1.361 199 I CB -0.145 37.707 38.000 -0.247 0.000 1.063 199 I HN -0.120 nan 8.210 nan 0.000 0.448 200 S N 1.085 116.713 115.700 -0.120 0.000 2.562 200 S HA 0.322 4.792 4.470 -0.000 0.000 0.275 200 S C 0.970 175.531 174.600 -0.064 0.000 1.281 200 S CA -0.300 57.829 58.200 -0.118 0.000 1.045 200 S CB 1.581 64.715 63.200 -0.110 0.000 0.962 200 S HN 0.324 nan 8.310 nan 0.000 0.503 201 T N 2.348 116.862 114.554 -0.067 0.000 2.824 201 T HA 0.018 4.368 4.350 -0.000 0.000 0.238 201 T C 0.623 175.284 174.700 -0.065 0.000 1.067 201 T CA 0.669 62.725 62.100 -0.073 0.000 1.286 201 T CB -0.365 68.457 68.868 -0.075 0.000 0.980 201 T HN 0.606 nan 8.240 nan 0.000 0.414 202 T N 3.472 117.993 114.554 -0.055 0.000 2.871 202 T HA 0.098 4.448 4.350 -0.000 0.000 0.296 202 T C 0.714 175.390 174.700 -0.040 0.000 0.998 202 T CA 0.412 62.486 62.100 -0.043 0.000 1.162 202 T CB -0.168 68.680 68.868 -0.032 0.000 0.947 202 T HN 0.527 nan 8.240 nan 0.000 0.536 203 N N 0.736 119.415 118.700 -0.034 0.000 2.741 203 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 203 N C 0.137 175.639 175.510 -0.014 0.000 1.112 203 N CA 1.431 54.468 53.050 -0.023 0.000 0.750 203 N CB -1.044 37.434 38.487 -0.015 0.000 1.119 203 N HN 0.962 nan 8.380 nan 0.000 0.561 204 G N -3.208 105.577 108.800 -0.024 0.000 2.975 204 G HA2 0.565 4.525 3.960 -0.000 0.000 0.291 204 G HA3 0.565 4.525 3.960 -0.000 0.000 0.291 204 G C 0.958 175.847 174.900 -0.020 0.000 1.334 204 G CA -0.037 45.069 45.100 0.009 0.000 0.843 204 G HN 0.290 nan 8.290 nan 0.000 0.548 205 G N -0.922 107.906 108.800 0.046 0.000 2.470 205 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.220 205 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.220 205 G C 1.172 176.037 174.900 -0.058 0.000 1.121 205 G CA 0.998 46.065 45.100 -0.056 0.000 0.766 205 G HN 0.405 nan 8.290 nan 0.000 0.553 206 Q N -0.426 119.329 119.800 -0.075 0.000 2.204 206 Q HA 0.270 4.610 4.340 -0.000 0.000 0.209 206 Q C 1.678 177.595 176.000 -0.137 0.000 0.861 206 Q CA -0.116 55.575 55.803 -0.188 0.000 0.971 206 Q CB 0.684 29.226 28.738 -0.325 0.000 1.095 206 Q HN 0.622 nan 8.270 nan 0.000 0.486 207 E N 0.520 120.659 120.200 -0.102 0.000 2.110 207 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 207 E C -0.042 176.488 176.600 -0.115 0.000 0.988 207 E CA 0.803 57.144 56.400 -0.099 0.000 0.804 207 E CB 0.422 30.064 29.700 -0.097 0.000 0.745 207 E HN 0.158 nan 8.360 nan 0.000 0.458 208 R N -0.888 119.526 120.500 -0.143 0.000 2.836 208 R HA 0.460 4.800 4.340 -0.000 0.000 0.269 208 R C -1.069 175.028 176.300 -0.338 0.000 1.010 208 R CA -0.733 55.203 56.100 -0.274 0.000 0.930 208 R CB 2.019 32.136 30.300 -0.304 0.000 1.218 208 R HN -0.177 nan 8.270 nan 0.000 0.473 209 K N 0.600 120.638 120.400 -0.604 0.000 2.444 209 K HA 0.442 4.762 4.320 -0.000 0.000 0.252 209 K C -1.140 175.164 176.600 -0.493 0.000 0.993 209 K CA -0.707 55.238 56.287 -0.570 0.000 0.847 209 K CB 1.574 33.788 32.500 -0.477 0.000 1.340 209 K HN 0.237 nan 8.250 nan 0.000 0.446 210 F N 1.054 120.959 119.950 -0.075 0.000 2.410 210 F HA 0.158 4.685 4.527 -0.000 0.000 0.348 210 F C 0.455 176.327 175.800 0.120 0.000 1.106 210 F CA -0.948 57.055 58.000 0.005 0.000 1.163 210 F CB 0.994 39.968 39.000 -0.043 0.000 1.129 210 F HN 0.010 nan 8.300 nan 0.000 0.516 211 V N 3.700 123.825 119.914 0.351 0.000 2.493 211 V HA 0.222 4.342 4.120 -0.000 0.000 0.292 211 V C 0.926 176.922 176.094 -0.162 0.000 1.016 211 V CA 1.190 63.606 62.300 0.192 0.000 1.097 211 V CB 0.092 32.005 31.823 0.149 0.000 0.947 211 V HN 1.109 nan 8.190 nan 0.000 0.479 212 G N 3.340 111.657 108.800 -0.806 0.000 2.195 212 G HA2 0.145 4.105 3.960 -0.000 0.000 0.246 212 G HA3 0.145 4.105 3.960 -0.000 0.000 0.246 212 G C 0.771 175.166 174.900 -0.842 0.000 0.984 212 G CA -0.091 44.253 45.100 -1.261 0.000 0.633 212 G HN 2.408 nan 8.290 nan 0.000 0.525 213 G N -1.468 107.121 108.800 -0.352 0.000 2.650 213 G HA2 0.369 4.329 3.960 -0.000 0.000 0.686 213 G HA3 0.369 4.329 3.960 -0.000 0.000 0.686 213 G C 0.820 175.730 174.900 0.017 0.000 1.205 213 G CA 0.846 45.929 45.100 -0.028 0.000 0.781 213 G HN 1.874 nan 8.290 nan 0.000 0.648 214 S N -0.033 115.729 115.700 0.103 0.000 2.453 214 S HA 0.128 4.598 4.470 -0.000 0.000 0.231 214 S C 2.545 177.132 174.600 -0.021 0.000 1.005 214 S CA 1.636 59.892 58.200 0.092 0.000 0.949 214 S CB -0.073 63.240 63.200 0.189 0.000 0.774 214 S HN 2.185 nan 8.310 nan 0.000 0.510 215 G N 1.399 110.200 108.800 0.001 0.000 2.479 215 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 215 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 215 G C 1.445 176.318 174.900 -0.045 0.000 1.115 215 G CA 0.673 45.778 45.100 0.007 0.000 0.757 215 G HN 0.636 nan 8.290 nan 0.000 0.560 216 Q N -0.249 119.490 119.800 -0.102 0.000 2.226 216 Q HA -0.056 4.284 4.340 -0.000 0.000 0.204 216 Q C 2.735 178.643 176.000 -0.154 0.000 0.975 216 Q CA 0.950 56.674 55.803 -0.133 0.000 0.866 216 Q CB -0.159 28.474 28.738 -0.175 0.000 0.915 216 Q HN 0.442 nan 8.270 nan 0.000 0.440 217 V N 0.221 120.019 119.914 -0.194 0.000 2.237 217 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 217 V C 2.124 178.157 176.094 -0.102 0.000 1.046 217 V CA 2.140 64.328 62.300 -0.188 0.000 1.007 217 V CB -0.581 31.116 31.823 -0.212 0.000 0.638 217 V HN 0.293 nan 8.190 nan 0.000 0.445 218 S N -0.728 114.936 115.700 -0.061 0.000 2.383 218 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 218 S C 1.905 176.485 174.600 -0.033 0.000 1.026 218 S CA 1.396 59.578 58.200 -0.030 0.000 0.981 218 S CB -0.248 62.955 63.200 0.005 0.000 0.818 218 S HN 0.682 nan 8.310 nan 0.000 0.472 219 E N 1.066 121.244 120.200 -0.036 0.000 2.051 219 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 219 E C 2.341 178.912 176.600 -0.048 0.000 0.991 219 E CA 0.828 57.208 56.400 -0.034 0.000 0.799 219 E CB -0.078 29.602 29.700 -0.033 0.000 0.748 219 E HN 0.353 nan 8.360 nan 0.000 0.449 220 R N 0.271 120.732 120.500 -0.065 0.000 2.148 220 R HA -0.033 4.307 4.340 -0.000 0.000 0.227 220 R C 2.318 178.579 176.300 -0.064 0.000 1.103 220 R CA 0.790 56.850 56.100 -0.067 0.000 0.983 220 R CB -0.164 30.088 30.300 -0.081 0.000 0.874 220 R HN 0.226 nan 8.270 nan 0.000 0.451 221 I N 0.619 121.150 120.570 -0.065 0.000 2.252 221 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 221 I C 2.654 178.725 176.117 -0.075 0.000 1.102 221 I CA 1.076 62.336 61.300 -0.067 0.000 1.385 221 I CB -0.179 37.786 38.000 -0.058 0.000 1.064 221 I HN 0.193 nan 8.210 nan 0.000 0.414 222 M N 0.959 120.522 119.600 -0.061 0.000 2.108 222 M HA -0.262 4.218 4.480 -0.000 0.000 0.261 222 M C 1.668 177.930 176.300 -0.063 0.000 1.066 222 M CA 2.009 57.273 55.300 -0.059 0.000 1.107 222 M CB -0.213 32.363 32.600 -0.039 0.000 1.356 222 M HN 0.133 nan 8.290 nan 0.000 0.406 223 D N 0.684 121.052 120.400 -0.055 0.000 2.123 223 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 223 D C 2.052 178.315 176.300 -0.061 0.000 0.992 223 D CA 1.497 55.468 54.000 -0.049 0.000 0.833 223 D CB -0.509 40.266 40.800 -0.042 0.000 0.954 223 D HN 0.438 nan 8.370 nan 0.000 0.455 224 L N 0.045 121.222 121.223 -0.076 0.000 2.083 224 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 224 L C 2.403 179.165 176.870 -0.180 0.000 1.083 224 L CA 0.689 55.471 54.840 -0.097 0.000 0.752 224 L CB -0.257 41.748 42.059 -0.090 0.000 0.899 224 L HN 0.029 nan 8.230 nan 0.000 0.433 225 L N -1.134 119.965 121.223 -0.207 0.000 2.418 225 L HA 0.128 4.468 4.340 -0.000 0.000 0.218 225 L C 1.659 178.440 176.870 -0.149 0.000 1.125 225 L CA 0.418 55.092 54.840 -0.277 0.000 0.835 225 L CB -0.709 41.214 42.059 -0.226 0.000 0.953 225 L HN 0.441 nan 8.230 nan 0.000 0.454 226 G N 1.876 110.622 108.800 -0.091 0.000 2.583 226 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.292 226 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.292 226 G C 0.498 175.377 174.900 -0.035 0.000 1.203 226 G CA 0.508 45.579 45.100 -0.048 0.000 0.987 226 G HN 0.506 nan 8.290 nan 0.000 0.554 227 D N 0.890 121.280 120.400 -0.015 0.000 2.378 227 D HA 0.031 4.671 4.640 -0.000 0.000 0.227 227 D C 2.060 178.362 176.300 0.002 0.000 1.012 227 D CA 0.912 54.912 54.000 -0.001 0.000 0.905 227 D CB -0.323 40.485 40.800 0.013 0.000 0.895 227 D HN 0.638 nan 8.370 nan 0.000 0.532 228 R N -0.083 120.408 120.500 -0.015 0.000 2.189 228 R HA 0.091 4.431 4.340 -0.000 0.000 0.218 228 R C 0.266 176.544 176.300 -0.036 0.000 1.074 228 R CA 0.287 56.378 56.100 -0.015 0.000 0.991 228 R CB 0.235 30.517 30.300 -0.030 0.000 0.883 228 R HN 0.098 nan 8.270 nan 0.000 0.457 229 V N 2.973 122.861 119.914 -0.044 0.000 2.406 229 V HA 0.112 4.232 4.120 -0.000 0.000 0.272 229 V C -0.075 175.994 176.094 -0.042 0.000 1.043 229 V CA -0.363 61.905 62.300 -0.053 0.000 0.915 229 V CB 1.326 33.119 31.823 -0.050 0.000 0.988 229 V HN 0.042 nan 8.190 nan 0.000 0.466 230 K N 6.469 126.831 120.400 -0.063 0.000 2.334 230 K HA 0.538 4.858 4.320 -0.000 0.000 0.265 230 K C -0.693 175.874 176.600 -0.055 0.000 1.039 230 K CA -0.322 55.938 56.287 -0.045 0.000 0.920 230 K CB 1.831 34.297 32.500 -0.057 0.000 1.160 230 K HN 0.502 nan 8.250 nan 0.000 0.451 231 L N 1.575 122.777 121.223 -0.034 0.000 2.399 231 L HA 0.177 4.517 4.340 -0.000 0.000 0.266 231 L C 0.728 177.572 176.870 -0.043 0.000 1.114 231 L CA -0.191 54.625 54.840 -0.041 0.000 0.804 231 L CB 0.250 42.294 42.059 -0.025 0.000 1.146 231 L HN 0.699 nan 8.230 nan 0.000 0.451 232 E N 0.678 120.839 120.200 -0.064 0.000 2.389 232 E HA -0.228 4.122 4.350 -0.000 0.000 0.243 232 E C -0.517 176.043 176.600 -0.068 0.000 1.154 232 E CA 0.305 56.664 56.400 -0.069 0.000 0.723 232 E CB -0.773 28.904 29.700 -0.038 0.000 1.261 232 E HN 0.372 nan 8.360 nan 0.000 0.390 233 R N 0.241 120.687 120.500 -0.091 0.000 2.724 233 R HA 0.247 4.587 4.340 -0.000 0.000 0.284 233 R C -2.700 173.530 176.300 -0.116 0.000 1.481 233 R CA -1.916 54.140 56.100 -0.073 0.000 1.652 233 R CB 0.629 30.894 30.300 -0.059 0.000 1.175 233 R HN -0.016 nan 8.270 nan 0.000 0.613 234 P HA 0.028 nan 4.420 nan 0.000 0.271 234 P C -0.313 176.958 177.300 -0.049 0.000 1.226 234 P CA -0.206 62.797 63.100 -0.162 0.000 0.765 234 P CB 0.961 32.569 31.700 -0.153 0.000 0.835 235 V N 5.494 125.387 119.914 -0.036 0.000 2.555 235 V HA 0.061 4.181 4.120 -0.000 0.000 0.286 235 V C 1.704 177.822 176.094 0.041 0.000 1.044 235 V CA 0.428 62.730 62.300 0.004 0.000 1.026 235 V CB 0.317 32.130 31.823 -0.017 0.000 0.981 235 V HN 0.538 nan 8.190 nan 0.000 0.480 236 I N 1.762 122.373 120.570 0.068 0.000 4.323 236 I HA 0.450 4.620 4.170 -0.000 0.000 0.328 236 I C -0.001 176.215 176.117 0.164 0.000 1.310 236 I CA 0.104 61.473 61.300 0.115 0.000 1.186 236 I CB 0.620 38.676 38.000 0.094 0.000 1.130 236 I HN 0.498 nan 8.210 nan 0.000 0.411 237 Y N 1.867 122.125 120.300 -0.071 0.000 2.436 237 Y HA 0.687 5.237 4.550 -0.000 0.000 0.327 237 Y C -1.883 173.944 175.900 -0.122 0.000 1.138 237 Y CA -1.501 56.539 58.100 -0.101 0.000 1.042 237 Y CB 1.638 40.071 38.460 -0.045 0.000 1.302 237 Y HN -0.017 nan 8.280 nan 0.000 0.439 238 I N 5.759 125.915 120.570 -0.690 0.000 2.466 238 I HA 0.310 4.480 4.170 -0.000 0.000 0.289 238 I C -1.369 174.364 176.117 -0.641 0.000 1.026 238 I CA -0.703 60.281 61.300 -0.527 0.000 1.078 238 I CB 1.866 39.705 38.000 -0.270 0.000 1.249 238 I HN 0.520 nan 8.210 nan 0.000 0.429 239 D N 5.956 126.057 120.400 -0.498 0.000 2.425 239 D HA 0.281 4.921 4.640 -0.000 0.000 0.240 239 D C -0.277 175.958 176.300 -0.108 0.000 1.080 239 D CA -0.207 53.599 54.000 -0.323 0.000 0.836 239 D CB 1.633 42.294 40.800 -0.232 0.000 1.125 239 D HN 0.511 nan 8.370 nan 0.000 0.525 240 Q N 1.683 121.456 119.800 -0.046 0.000 2.172 240 Q HA 0.078 4.418 4.340 -0.000 0.000 0.217 240 Q C 1.152 177.151 176.000 -0.002 0.000 0.832 240 Q CA -0.003 55.791 55.803 -0.014 0.000 1.010 240 Q CB 0.785 29.527 28.738 0.006 0.000 1.133 240 Q HN 0.541 nan 8.270 nan 0.000 0.489 241 T N -2.439 112.118 114.554 0.006 0.000 3.088 241 T HA 0.116 4.466 4.350 -0.000 0.000 0.259 241 T C 0.865 175.572 174.700 0.012 0.000 1.122 241 T CA 0.222 62.333 62.100 0.018 0.000 1.095 241 T CB 0.257 69.146 68.868 0.035 0.000 0.930 241 T HN 0.075 nan 8.240 nan 0.000 0.508 242 R N 0.085 120.588 120.500 0.004 0.000 2.943 242 R HA 0.491 4.831 4.340 -0.000 0.000 0.246 242 R C 1.270 177.561 176.300 -0.014 0.000 1.201 242 R CA -0.788 55.312 56.100 -0.000 0.000 1.056 242 R CB 0.959 31.262 30.300 0.006 0.000 1.243 242 R HN 0.106 nan 8.270 nan 0.000 0.498 243 E N 0.750 120.940 120.200 -0.017 0.000 2.058 243 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 243 E C -0.242 176.328 176.600 -0.051 0.000 0.997 243 E CA 1.273 57.655 56.400 -0.030 0.000 0.801 243 E CB 0.162 29.848 29.700 -0.023 0.000 0.746 243 E HN 0.283 nan 8.360 nan 0.000 0.450 244 N N 0.201 118.877 118.700 -0.041 0.000 2.456 244 N HA 0.176 4.916 4.740 -0.000 0.000 0.296 244 N C -1.009 174.478 175.510 -0.039 0.000 1.102 244 N CA -0.384 52.635 53.050 -0.052 0.000 0.924 244 N CB 2.035 40.502 38.487 -0.032 0.000 1.186 244 N HN -0.127 nan 8.380 nan 0.000 0.492 245 V N 2.204 122.089 119.914 -0.049 0.000 2.637 245 V HA 0.179 4.299 4.120 -0.000 0.000 0.296 245 V C 0.487 176.577 176.094 -0.006 0.000 1.046 245 V CA -0.271 62.010 62.300 -0.031 0.000 1.066 245 V CB 0.247 32.053 31.823 -0.028 0.000 0.968 245 V HN 0.365 nan 8.190 nan 0.000 0.483 246 L N 5.452 126.667 121.223 -0.012 0.000 2.296 246 L HA 0.588 4.928 4.340 -0.000 0.000 0.286 246 L C -0.651 176.222 176.870 0.005 0.000 1.023 246 L CA -0.569 54.282 54.840 0.019 0.000 0.812 246 L CB 1.806 43.891 42.059 0.043 0.000 1.223 246 L HN 0.368 nan 8.230 nan 0.000 0.421 247 V N 2.779 122.738 119.914 0.075 0.000 2.407 247 V HA 0.345 4.465 4.120 -0.000 0.000 0.291 247 V C -0.208 175.991 176.094 0.176 0.000 1.018 247 V CA -0.621 61.727 62.300 0.081 0.000 0.842 247 V CB 1.749 33.614 31.823 0.071 0.000 0.996 247 V HN 0.726 nan 8.190 nan 0.000 0.426 248 E N 2.876 123.183 120.200 0.177 0.000 2.191 248 E HA 0.655 5.005 4.350 -0.000 0.000 0.274 248 E C -0.251 176.445 176.600 0.161 0.000 0.948 248 E CA -0.453 56.071 56.400 0.207 0.000 0.802 248 E CB 1.791 31.642 29.700 0.251 0.000 1.137 248 E HN 0.841 nan 8.360 nan 0.000 0.397 249 T N 0.896 115.544 114.554 0.156 0.000 2.952 249 T HA 0.208 4.558 4.350 -0.000 0.000 0.286 249 T C 0.896 175.621 174.700 0.041 0.000 1.024 249 T CA -0.846 61.310 62.100 0.093 0.000 1.029 249 T CB 1.139 70.073 68.868 0.110 0.000 1.094 249 T HN 0.431 nan 8.240 nan 0.000 0.515 250 L N 1.591 122.809 121.223 -0.008 0.000 2.131 250 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 250 L C 1.828 178.558 176.870 -0.233 0.000 1.092 250 L CA 2.024 56.820 54.840 -0.074 0.000 0.759 250 L CB -1.097 40.939 42.059 -0.039 0.000 0.903 250 L HN 0.932 nan 8.230 nan 0.000 0.435 251 N N -2.602 115.999 118.700 -0.166 0.000 2.413 251 N HA -0.061 4.679 4.740 -0.000 0.000 0.207 251 N C 0.149 175.579 175.510 -0.133 0.000 1.206 251 N CA 0.442 53.363 53.050 -0.215 0.000 0.832 251 N CB -0.447 37.993 38.487 -0.078 0.000 1.037 251 N HN 0.540 nan 8.380 nan 0.000 0.467 252 H N -2.793 116.290 119.070 0.023 0.000 3.642 252 H HA -0.155 4.401 4.556 0.000 0.000 0.185 252 H C -0.749 174.581 175.328 0.004 0.000 0.992 252 H CA 0.637 56.689 56.048 0.007 0.000 1.216 252 H CB -1.393 28.363 29.762 -0.009 0.000 1.055 252 H HN 0.534 nan 8.280 nan 0.000 0.351 253 E N 1.349 121.620 120.200 0.117 0.000 2.366 253 E HA 0.297 4.647 4.350 -0.000 0.000 0.266 253 E C 0.187 176.797 176.600 0.016 0.000 1.051 253 E CA -0.226 56.191 56.400 0.029 0.000 0.884 253 E CB 0.726 30.460 29.700 0.057 0.000 1.006 253 E HN 0.072 nan 8.360 nan 0.000 0.417 254 M N 2.479 121.987 119.600 -0.154 0.000 2.311 254 M HA 0.344 4.824 4.480 -0.000 0.000 0.325 254 M C -1.272 174.834 176.300 -0.323 0.000 1.061 254 M CA -0.611 54.632 55.300 -0.095 0.000 0.957 254 M CB 0.863 33.433 32.600 -0.050 0.000 1.646 254 M HN 0.466 nan 8.290 nan 0.000 0.434 255 Y N 0.362 120.678 120.300 0.026 0.000 2.409 255 Y HA 0.473 5.023 4.550 -0.000 0.000 0.343 255 Y C 0.065 175.972 175.900 0.011 0.000 0.973 255 Y CA -0.675 57.434 58.100 0.016 0.000 1.064 255 Y CB 1.786 40.254 38.460 0.013 0.000 1.207 255 Y HN 0.575 nan 8.280 nan 0.000 0.452 256 E N 1.917 122.195 120.200 0.130 0.000 2.187 256 E HA 0.837 5.187 4.350 -0.000 0.000 0.268 256 E C -1.447 175.194 176.600 0.069 0.000 0.896 256 E CA -0.683 55.760 56.400 0.070 0.000 0.766 256 E CB 1.254 30.971 29.700 0.028 0.000 1.142 256 E HN 0.768 nan 8.360 nan 0.000 0.408 257 A N 3.590 126.433 122.820 0.039 0.000 2.594 257 A HA 0.363 4.683 4.320 -0.000 0.000 0.291 257 A C -0.055 177.506 177.584 -0.039 0.000 1.105 257 A CA -0.644 51.409 52.037 0.027 0.000 0.694 257 A CB 1.514 20.547 19.000 0.056 0.000 1.291 257 A HN 0.683 nan 8.150 nan 0.000 0.410 258 K N -0.741 119.620 120.400 -0.066 0.000 2.076 258 K HA 0.095 4.415 4.320 -0.000 0.000 0.204 258 K C -0.615 175.662 176.600 -0.537 0.000 1.051 258 K CA 1.515 57.631 56.287 -0.284 0.000 0.949 258 K CB -0.079 32.289 32.500 -0.221 0.000 0.726 258 K HN 0.616 nan 8.250 nan 0.000 0.443 259 Y N -1.217 119.107 120.300 0.040 0.000 2.615 259 Y HA 0.416 4.966 4.550 0.000 0.000 0.341 259 Y C -0.614 175.314 175.900 0.047 0.000 1.089 259 Y CA -1.322 56.819 58.100 0.068 0.000 1.049 259 Y CB 1.795 40.297 38.460 0.070 0.000 1.296 259 Y HN -0.419 nan 8.280 nan 0.000 0.470 260 V N 2.951 123.005 119.914 0.234 0.000 2.656 260 V HA 0.476 4.596 4.120 -0.000 0.000 0.307 260 V C -0.668 175.475 176.094 0.082 0.000 1.051 260 V CA -0.868 61.496 62.300 0.107 0.000 0.893 260 V CB 2.111 33.963 31.823 0.048 0.000 0.999 260 V HN 0.545 nan 8.190 nan 0.000 0.426 261 I N 2.810 123.398 120.570 0.031 0.000 2.339 261 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 261 I C 0.293 176.399 176.117 -0.018 0.000 0.994 261 I CA -0.154 61.144 61.300 -0.003 0.000 1.191 261 I CB 1.881 39.887 38.000 0.009 0.000 1.343 261 I HN 0.599 nan 8.210 nan 0.000 0.458 262 S N 5.355 121.013 115.700 -0.069 0.000 2.400 262 S HA 0.500 4.970 4.470 -0.000 0.000 0.295 262 S C 0.492 175.174 174.600 0.138 0.000 1.113 262 S CA -0.457 57.775 58.200 0.053 0.000 1.064 262 S CB 0.519 63.791 63.200 0.120 0.000 0.990 262 S HN 0.719 nan 8.310 nan 0.000 0.502 263 A N 5.808 128.697 122.820 0.114 0.000 2.827 263 A HA 0.444 4.764 4.320 -0.000 0.000 0.300 263 A C 0.372 178.034 177.584 0.130 0.000 1.237 263 A CA -0.662 51.447 52.037 0.121 0.000 0.964 263 A CB -0.515 18.532 19.000 0.078 0.000 1.143 263 A HN 0.903 nan 8.150 nan 0.000 0.554 264 I N -3.905 116.759 120.570 0.157 0.000 2.750 264 I HA 0.667 4.837 4.170 -0.000 0.000 0.308 264 I C -2.874 173.338 176.117 0.159 0.000 1.016 264 I CA -3.060 58.330 61.300 0.150 0.000 1.098 264 I CB 1.358 39.448 38.000 0.149 0.000 1.279 264 I HN -0.165 nan 8.210 nan 0.000 0.454 265 P HA 0.104 nan 4.420 nan 0.000 0.263 265 P C -2.162 175.193 177.300 0.091 0.000 1.175 265 P CA -0.585 62.584 63.100 0.115 0.000 0.761 265 P CB -0.062 31.692 31.700 0.092 0.000 0.794 266 P HA -0.228 nan 4.420 nan 0.000 0.216 266 P C 1.612 178.897 177.300 -0.026 0.000 1.157 266 P CA 1.878 64.984 63.100 0.010 0.000 0.880 266 P CB -0.267 31.408 31.700 -0.041 0.000 0.791 267 T N -1.382 113.132 114.554 -0.066 0.000 2.915 267 T HA -0.060 4.290 4.350 -0.000 0.000 0.269 267 T C 1.524 176.215 174.700 -0.015 0.000 1.071 267 T CA 0.692 62.742 62.100 -0.083 0.000 1.132 267 T CB -0.812 67.973 68.868 -0.139 0.000 0.878 267 T HN -0.033 nan 8.240 nan 0.000 0.479 268 L N 0.409 121.652 121.223 0.034 0.000 2.549 268 L HA 0.116 4.456 4.340 -0.000 0.000 0.229 268 L C 2.747 179.690 176.870 0.121 0.000 1.158 268 L CA 0.682 55.570 54.840 0.080 0.000 0.842 268 L CB -0.649 41.481 42.059 0.119 0.000 0.952 268 L HN 0.351 nan 8.230 nan 0.000 0.452 269 G N -0.272 108.610 108.800 0.135 0.000 2.470 269 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 269 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 269 G C 1.590 176.628 174.900 0.230 0.000 1.121 269 G CA 0.187 45.426 45.100 0.232 0.000 0.766 269 G HN 0.151 nan 8.290 nan 0.000 0.553 270 M N 0.380 120.044 119.600 0.107 0.000 2.358 270 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 270 M C 2.043 178.358 176.300 0.024 0.000 1.064 270 M CA 0.976 56.307 55.300 0.052 0.000 1.093 270 M CB -0.474 32.120 32.600 -0.010 0.000 1.401 270 M HN 0.222 nan 8.290 nan 0.000 0.440 271 K N 0.049 120.487 120.400 0.062 0.000 2.525 271 K HA 0.168 4.488 4.320 -0.000 0.000 0.192 271 K C 0.378 177.026 176.600 0.080 0.000 1.029 271 K CA 0.412 56.744 56.287 0.075 0.000 1.029 271 K CB 0.231 32.808 32.500 0.130 0.000 0.814 271 K HN 0.323 nan 8.250 nan 0.000 0.503 272 I N 1.194 121.773 120.570 0.016 0.000 2.404 272 I HA 0.132 4.302 4.170 -0.000 0.000 0.293 272 I C 0.114 176.083 176.117 -0.245 0.000 0.992 272 I CA -0.748 60.471 61.300 -0.136 0.000 1.149 272 I CB 1.363 39.128 38.000 -0.392 0.000 1.315 272 I HN 0.034 nan 8.210 nan 0.000 0.446 273 H N 6.031 124.999 119.070 -0.170 0.000 2.527 273 H HA 0.342 4.898 4.556 -0.000 0.000 0.321 273 H C -1.104 174.126 175.328 -0.164 0.000 1.087 273 H CA -0.192 55.854 56.048 -0.003 0.000 1.337 273 H CB 1.155 31.010 29.762 0.155 0.000 1.440 273 H HN 0.321 nan 8.280 nan 0.000 0.490 274 F N 1.923 121.971 119.950 0.162 0.000 2.443 274 F HA 0.167 4.694 4.527 -0.000 0.000 0.335 274 F C 0.605 176.441 175.800 0.059 0.000 1.104 274 F CA -0.721 57.304 58.000 0.042 0.000 1.013 274 F CB 1.322 40.336 39.000 0.023 0.000 1.136 274 F HN 0.467 nan 8.300 nan 0.000 0.470 275 N N 4.394 123.168 118.700 0.123 0.000 2.461 275 N HA 0.421 5.161 4.740 -0.000 0.000 0.284 275 N C -2.993 172.559 175.510 0.069 0.000 1.049 275 N CA -2.350 50.769 53.050 0.116 0.000 0.889 275 N CB 2.095 40.672 38.487 0.150 0.000 1.365 275 N HN 0.075 nan 8.380 nan 0.000 0.499 276 P HA 0.303 nan 4.420 nan 0.000 0.274 276 P C -2.641 174.730 177.300 0.119 0.000 1.260 276 P CA -0.964 62.191 63.100 0.092 0.000 0.793 276 P CB -0.392 31.341 31.700 0.056 0.000 1.048 277 P HA 0.087 nan 4.420 nan 0.000 0.268 277 P C 0.087 177.396 177.300 0.015 0.000 1.208 277 P CA 0.237 63.393 63.100 0.094 0.000 0.777 277 P CB 0.178 31.917 31.700 0.065 0.000 0.875 278 L N 3.305 124.488 121.223 -0.066 0.000 2.483 278 L HA 0.136 4.476 4.340 -0.000 0.000 0.275 278 L C -1.658 175.157 176.870 -0.093 0.000 1.220 278 L CA -1.550 53.183 54.840 -0.177 0.000 0.833 278 L CB -0.674 41.193 42.059 -0.321 0.000 1.102 278 L HN 0.298 nan 8.230 nan 0.000 0.490 279 P HA -0.054 nan 4.420 nan 0.000 0.268 279 P C 0.673 177.941 177.300 -0.054 0.000 1.208 279 P CA -0.167 62.898 63.100 -0.057 0.000 0.777 279 P CB 0.465 32.130 31.700 -0.057 0.000 0.875 280 M N 1.944 121.525 119.600 -0.032 0.000 2.089 280 M HA -0.242 4.238 4.480 -0.000 0.000 0.257 280 M C 1.211 177.517 176.300 0.011 0.000 1.071 280 M CA 2.308 57.600 55.300 -0.013 0.000 1.096 280 M CB -0.346 32.249 32.600 -0.008 0.000 1.330 280 M HN 0.195 nan 8.290 nan 0.000 0.403 281 M N -0.415 119.188 119.600 0.004 0.000 2.132 281 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 281 M C 2.297 178.638 176.300 0.068 0.000 1.065 281 M CA 1.768 57.109 55.300 0.069 0.000 1.122 281 M CB -1.467 31.117 32.600 -0.025 0.000 1.365 281 M HN 0.429 nan 8.290 nan 0.000 0.411 282 R N 0.354 120.824 120.500 -0.050 0.000 2.092 282 R HA -0.168 4.172 4.340 -0.000 0.000 0.231 282 R C 2.021 178.237 176.300 -0.141 0.000 1.119 282 R CA 1.704 57.726 56.100 -0.130 0.000 0.970 282 R CB -0.216 29.959 30.300 -0.208 0.000 0.864 282 R HN 0.334 nan 8.270 nan 0.000 0.440 283 N N 0.493 119.126 118.700 -0.111 0.000 2.061 283 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 283 N C 1.584 177.028 175.510 -0.110 0.000 1.030 283 N CA 1.957 54.947 53.050 -0.100 0.000 0.856 283 N CB 0.003 38.454 38.487 -0.060 0.000 1.023 283 N HN 0.347 nan 8.380 nan 0.000 0.424 284 Q N -1.131 118.609 119.800 -0.099 0.000 2.212 284 Q HA -0.041 4.299 4.340 -0.000 0.000 0.199 284 Q C 1.968 177.709 176.000 -0.432 0.000 0.950 284 Q CA 0.591 56.278 55.803 -0.193 0.000 0.863 284 Q CB -0.107 28.585 28.738 -0.076 0.000 0.944 284 Q HN 0.491 nan 8.270 nan 0.000 0.465 285 M N 1.657 121.002 119.600 -0.425 0.000 2.108 285 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 285 M C 1.996 178.062 176.300 -0.389 0.000 1.066 285 M CA 1.670 56.667 55.300 -0.505 0.000 1.107 285 M CB -0.468 32.007 32.600 -0.209 0.000 1.356 285 M HN 0.304 nan 8.290 nan 0.000 0.406 286 I N -1.633 118.773 120.570 -0.274 0.000 3.334 286 I HA -0.069 4.101 4.170 -0.000 0.000 0.282 286 I C 1.492 177.478 176.117 -0.218 0.000 1.313 286 I CA 1.376 62.545 61.300 -0.219 0.000 1.396 286 I CB -1.020 36.897 38.000 -0.138 0.000 1.054 286 I HN 0.319 nan 8.210 nan 0.000 0.495 287 T N -2.425 111.977 114.554 -0.253 0.000 3.069 287 T HA 0.288 4.638 4.350 -0.000 0.000 0.252 287 T C 1.443 175.973 174.700 -0.284 0.000 1.053 287 T CA -0.236 61.727 62.100 -0.228 0.000 0.964 287 T CB -0.029 68.728 68.868 -0.185 0.000 1.005 287 T HN 0.420 nan 8.240 nan 0.000 0.532 288 R N 0.902 121.174 120.500 -0.381 0.000 2.508 288 R HA 0.327 4.667 4.340 -0.000 0.000 0.300 288 R C -0.173 175.806 176.300 -0.536 0.000 0.970 288 R CA -0.008 55.837 56.100 -0.425 0.000 1.102 288 R CB 1.433 31.428 30.300 -0.508 0.000 1.246 288 R HN 0.427 nan 8.270 nan 0.000 0.539 289 V N -0.737 118.842 119.914 -0.559 0.000 2.383 289 V HA 0.470 4.590 4.120 -0.000 0.000 0.261 289 V C -2.707 173.028 176.094 -0.599 0.000 0.987 289 V CA -2.348 59.508 62.300 -0.741 0.000 0.853 289 V CB 0.736 32.073 31.823 -0.810 0.000 1.095 289 V HN -0.108 nan 8.190 nan 0.000 0.461 290 P HA 0.494 nan 4.420 nan 0.000 0.276 290 P C -0.628 176.353 177.300 -0.532 0.000 1.252 290 P CA -0.318 62.446 63.100 -0.561 0.000 0.802 290 P CB 1.823 33.162 31.700 -0.601 0.000 1.035 291 L N 0.487 121.575 121.223 -0.226 0.000 2.375 291 L HA 0.571 4.911 4.340 -0.000 0.000 0.268 291 L C 1.491 178.411 176.870 0.085 0.000 1.058 291 L CA -0.115 54.691 54.840 -0.056 0.000 0.803 291 L CB 0.457 42.515 42.059 -0.003 0.000 1.212 291 L HN 0.477 nan 8.230 nan 0.000 0.451 292 G N -0.006 108.872 108.800 0.131 0.000 2.611 292 G HA2 0.413 4.373 3.960 -0.000 0.000 0.273 292 G HA3 0.413 4.373 3.960 -0.000 0.000 0.273 292 G C -0.778 174.121 174.900 -0.001 0.000 1.305 292 G CA -0.373 44.770 45.100 0.072 0.000 1.010 292 G HN 0.503 nan 8.290 nan 0.000 0.509 293 S N -1.361 114.308 115.700 -0.052 0.000 2.561 293 S HA 0.590 5.060 4.470 -0.000 0.000 0.303 293 S C -1.005 173.567 174.600 -0.046 0.000 1.110 293 S CA -0.513 57.679 58.200 -0.013 0.000 1.034 293 S CB 1.668 64.873 63.200 0.009 0.000 1.010 293 S HN 0.837 nan 8.310 nan 0.000 0.482 294 V N 4.803 124.737 119.914 0.034 0.000 3.000 294 V HA 0.568 4.688 4.120 -0.000 0.000 0.300 294 V C -1.962 174.273 176.094 0.235 0.000 1.251 294 V CA -0.758 61.590 62.300 0.081 0.000 0.972 294 V CB 1.775 33.570 31.823 -0.047 0.000 1.065 294 V HN 0.881 nan 8.190 nan 0.000 0.431 295 I N 5.288 126.011 120.570 0.254 0.000 2.362 295 I HA 0.515 4.685 4.170 -0.000 0.000 0.289 295 I C -0.203 176.145 176.117 0.385 0.000 0.994 295 I CA -0.612 60.860 61.300 0.286 0.000 1.158 295 I CB 1.694 39.806 38.000 0.187 0.000 1.315 295 I HN 0.524 nan 8.210 nan 0.000 0.451 296 K N 5.981 126.645 120.400 0.440 0.000 2.248 296 K HA 0.560 4.880 4.320 -0.000 0.000 0.281 296 K C -1.410 175.311 176.600 0.202 0.000 1.054 296 K CA -0.314 56.215 56.287 0.402 0.000 0.903 296 K CB 0.881 33.687 32.500 0.510 0.000 1.077 296 K HN 0.696 nan 8.250 nan 0.000 0.474 297 C N 5.464 124.842 119.300 0.130 0.000 2.441 297 C HA 0.565 5.025 4.460 -0.000 0.000 0.318 297 C C -0.804 174.228 174.990 0.069 0.000 1.222 297 C CA -1.106 57.975 59.018 0.104 0.000 1.474 297 C CB -0.021 27.885 27.740 0.277 0.000 2.125 297 C HN 0.726 nan 8.230 nan 0.000 0.479 298 I N 3.099 123.664 120.570 -0.009 0.000 2.410 298 I HA 0.434 4.604 4.170 -0.000 0.000 0.286 298 I C -0.262 175.868 176.117 0.022 0.000 1.009 298 I CA -0.153 61.111 61.300 -0.060 0.000 1.111 298 I CB 1.414 39.333 38.000 -0.135 0.000 1.262 298 I HN 0.352 nan 8.210 nan 0.000 0.443 299 V N 6.744 126.669 119.914 0.019 0.000 2.398 299 V HA 0.387 4.507 4.120 -0.000 0.000 0.286 299 V C -0.641 175.296 176.094 -0.262 0.000 1.026 299 V CA -0.702 61.628 62.300 0.050 0.000 0.868 299 V CB 0.833 32.734 31.823 0.131 0.000 0.982 299 V HN 0.408 nan 8.190 nan 0.000 0.443 300 Y N 4.158 124.406 120.300 -0.086 0.000 2.361 300 Y HA 0.668 5.218 4.550 -0.000 0.000 0.332 300 Y C -0.239 175.531 175.900 -0.216 0.000 1.101 300 Y CA -0.392 57.704 58.100 -0.007 0.000 1.137 300 Y CB 1.342 39.898 38.460 0.159 0.000 1.207 300 Y HN 0.533 nan 8.280 nan 0.000 0.463 301 Y N -0.104 120.447 120.300 0.417 0.000 2.605 301 Y HA 0.290 4.840 4.550 -0.000 0.000 0.343 301 Y C 1.124 177.171 175.900 0.244 0.000 1.036 301 Y CA -1.391 56.923 58.100 0.358 0.000 1.065 301 Y CB 1.866 40.634 38.460 0.514 0.000 1.288 301 Y HN 0.493 nan 8.280 nan 0.000 0.481 302 K N 0.365 120.981 120.400 0.360 0.000 2.097 302 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 302 K C -0.574 176.098 176.600 0.121 0.000 1.049 302 K CA 1.617 58.011 56.287 0.179 0.000 0.933 302 K CB 0.218 32.792 32.500 0.123 0.000 0.717 302 K HN 0.739 nan 8.250 nan 0.000 0.442 303 E N -0.615 119.672 120.200 0.145 0.000 2.408 303 E HA 0.206 4.556 4.350 -0.000 0.000 0.275 303 E C -2.689 173.795 176.600 -0.193 0.000 0.935 303 E CA -2.302 54.093 56.400 -0.008 0.000 0.775 303 E CB 2.245 31.929 29.700 -0.027 0.000 1.277 303 E HN -0.043 nan 8.360 nan 0.000 0.455 304 P HA 0.036 nan 4.420 nan 0.000 0.237 304 P C 0.219 176.616 177.300 -1.505 0.000 1.788 304 P CA -0.030 62.180 63.100 -1.484 0.000 1.061 304 P CB -0.879 30.243 31.700 -0.963 0.000 1.967 305 F N 0.218 119.604 119.950 -0.940 0.000 2.269 305 F HA -0.102 4.425 4.527 -0.000 0.000 0.301 305 F C 1.766 177.400 175.800 -0.277 0.000 1.082 305 F CA -0.071 57.672 58.000 -0.429 0.000 1.360 305 F CB -1.709 37.169 39.000 -0.202 0.000 1.041 305 F HN 0.134 nan 8.300 nan 0.000 0.512 306 W N 1.419 122.366 121.300 -0.589 0.000 2.350 306 W HA -0.009 4.651 4.660 0.000 0.000 0.289 306 W C 2.022 178.483 176.519 -0.097 0.000 1.215 306 W CA 0.986 58.184 57.345 -0.244 0.000 1.236 306 W CB -1.139 28.116 29.460 -0.341 0.000 1.130 306 W HN -0.125 nan 8.180 nan 0.000 0.541 307 R N 1.214 121.497 120.500 -0.361 0.000 2.120 307 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 307 R C 2.051 178.268 176.300 -0.138 0.000 1.123 307 R CA 1.747 57.735 56.100 -0.186 0.000 0.975 307 R CB -0.467 29.666 30.300 -0.279 0.000 0.866 307 R HN 0.298 nan 8.270 nan 0.000 0.446 308 K N 0.730 121.044 120.400 -0.145 0.000 2.209 308 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 308 K C 1.436 177.968 176.600 -0.113 0.000 1.048 308 K CA 1.064 57.291 56.287 -0.099 0.000 0.940 308 K CB 0.050 32.513 32.500 -0.062 0.000 0.729 308 K HN 0.124 nan 8.250 nan 0.000 0.451 309 K N 0.756 121.062 120.400 -0.157 0.000 2.417 309 K HA -0.033 4.287 4.320 -0.000 0.000 0.196 309 K C -0.457 175.818 176.600 -0.542 0.000 1.023 309 K CA 0.127 56.210 56.287 -0.340 0.000 1.122 309 K CB 0.309 32.563 32.500 -0.410 0.000 0.850 309 K HN 0.022 nan 8.250 nan 0.000 0.521 310 D N 0.089 120.316 120.400 -0.288 0.000 2.835 310 D HA -0.208 4.432 4.640 -0.000 0.000 0.230 310 D C -1.395 174.840 176.300 -0.108 0.000 1.130 310 D CA 0.864 54.756 54.000 -0.180 0.000 0.738 310 D CB -1.449 39.263 40.800 -0.146 0.000 1.090 310 D HN 0.336 nan 8.370 nan 0.000 0.433 311 Y N -0.803 119.530 120.300 0.054 0.000 2.352 311 Y HA 0.321 4.871 4.550 0.000 0.000 0.339 311 Y C 2.033 178.006 175.900 0.122 0.000 0.992 311 Y CA -0.936 57.197 58.100 0.056 0.000 1.100 311 Y CB 1.281 39.782 38.460 0.068 0.000 1.192 311 Y HN 0.250 nan 8.280 nan 0.000 0.458 312 C N -0.945 118.472 119.300 0.196 0.000 2.495 312 C HA 0.447 4.907 4.460 -0.000 0.000 0.275 312 C C 1.719 176.774 174.990 0.109 0.000 1.392 312 C CA 0.649 59.758 59.018 0.152 0.000 1.766 312 C CB -0.863 26.892 27.740 0.025 0.000 1.933 312 C HN 1.217 nan 8.230 nan 0.000 0.519 313 G N -0.362 108.341 108.800 -0.162 0.000 2.229 313 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.189 313 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.189 313 G C 0.025 174.595 174.900 -0.549 0.000 1.000 313 G CA 0.158 44.855 45.100 -0.672 0.000 0.663 313 G HN 0.545 nan 8.290 nan 0.000 0.493 314 T N 2.405 116.736 114.554 -0.371 0.000 2.779 314 T HA 0.618 4.968 4.350 -0.000 0.000 0.296 314 T C 0.292 174.793 174.700 -0.332 0.000 0.938 314 T CA 0.611 62.476 62.100 -0.391 0.000 1.119 314 T CB 0.795 69.491 68.868 -0.287 0.000 0.891 314 T HN 0.280 nan 8.240 nan 0.000 0.526 315 M N 4.118 123.506 119.600 -0.355 0.000 2.259 315 M HA 0.479 4.959 4.480 -0.000 0.000 0.304 315 M C -0.907 175.401 176.300 0.014 0.000 1.019 315 M CA -0.571 54.636 55.300 -0.153 0.000 0.922 315 M CB 2.118 34.600 32.600 -0.196 0.000 1.600 315 M HN 0.414 nan 8.290 nan 0.000 0.433 316 I N 4.879 125.604 120.570 0.258 0.000 2.330 316 I HA 0.431 4.601 4.170 -0.000 0.000 0.286 316 I C -0.809 175.581 176.117 0.454 0.000 1.025 316 I CA -0.243 61.322 61.300 0.441 0.000 1.197 316 I CB 0.793 39.090 38.000 0.496 0.000 1.358 316 I HN 0.598 nan 8.210 nan 0.000 0.467 317 I N 5.215 126.004 120.570 0.365 0.000 2.390 317 I HA 0.300 4.470 4.170 -0.000 0.000 0.283 317 I C -0.404 175.886 176.117 0.289 0.000 1.016 317 I CA -0.521 60.965 61.300 0.311 0.000 1.151 317 I CB 1.275 39.397 38.000 0.202 0.000 1.293 317 I HN 0.445 nan 8.210 nan 0.000 0.458 318 D N 4.628 125.198 120.400 0.284 0.000 2.253 318 D HA 0.692 5.332 4.640 -0.000 0.000 0.249 318 D C 0.099 176.509 176.300 0.183 0.000 1.049 318 D CA 0.403 54.538 54.000 0.225 0.000 0.929 318 D CB 1.915 42.842 40.800 0.212 0.000 1.176 318 D HN 0.806 nan 8.370 nan 0.000 0.437 319 G N 2.084 110.973 108.800 0.148 0.000 2.742 319 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 319 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 319 G C 0.440 175.412 174.900 0.120 0.000 1.220 319 G CA 0.104 45.278 45.100 0.123 0.000 0.783 319 G HN 0.437 nan 8.290 nan 0.000 0.646 320 E N 0.570 120.835 120.200 0.110 0.000 2.160 320 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 320 E C 2.135 178.796 176.600 0.102 0.000 0.991 320 E CA 2.555 59.030 56.400 0.124 0.000 0.810 320 E CB 0.036 29.804 29.700 0.114 0.000 0.742 320 E HN 0.690 nan 8.360 nan 0.000 0.466 321 E N 0.392 120.643 120.200 0.085 0.000 2.150 321 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 321 E C 0.458 177.090 176.600 0.053 0.000 0.985 321 E CA 0.917 57.356 56.400 0.065 0.000 0.814 321 E CB -0.375 29.362 29.700 0.062 0.000 0.752 321 E HN 0.289 nan 8.360 nan 0.000 0.466 322 A N 2.644 125.505 122.820 0.069 0.000 2.451 322 A HA 0.175 4.495 4.320 -0.000 0.000 0.266 322 A C -1.386 176.224 177.584 0.044 0.000 1.119 322 A CA -1.149 50.921 52.037 0.056 0.000 0.786 322 A CB 0.175 19.230 19.000 0.091 0.000 1.061 322 A HN -0.002 nan 8.150 nan 0.000 0.503 323 P HA -0.046 nan 4.420 nan 0.000 0.217 323 P C 0.264 177.596 177.300 0.053 0.000 1.151 323 P CA 0.970 64.077 63.100 0.012 0.000 0.828 323 P CB 0.077 31.767 31.700 -0.017 0.000 0.788 324 V N 0.224 120.189 119.914 0.085 0.000 2.417 324 V HA 0.470 4.590 4.120 -0.000 0.000 0.291 324 V C 1.209 177.421 176.094 0.197 0.000 1.024 324 V CA -0.082 62.318 62.300 0.166 0.000 0.861 324 V CB 1.283 33.234 31.823 0.214 0.000 0.985 324 V HN -0.012 nan 8.190 nan 0.000 0.436 325 A N 4.365 127.332 122.820 0.244 0.000 2.220 325 A HA 0.328 4.648 4.320 -0.000 0.000 0.211 325 A C 0.144 177.958 177.584 0.384 0.000 1.176 325 A CA 0.532 52.734 52.037 0.276 0.000 0.834 325 A CB 0.182 19.329 19.000 0.246 0.000 0.868 325 A HN 0.757 nan 8.150 nan 0.000 0.488 326 Y N -0.139 120.289 120.300 0.214 0.000 2.442 326 Y HA 0.465 5.015 4.550 -0.000 0.000 0.330 326 Y C -0.432 175.522 175.900 0.091 0.000 1.100 326 Y CA -0.451 57.759 58.100 0.185 0.000 1.034 326 Y CB 1.499 40.121 38.460 0.271 0.000 1.285 326 Y HN 0.125 nan 8.280 nan 0.000 0.440 327 T N 4.050 118.293 114.554 -0.519 0.000 2.906 327 T HA 0.877 5.227 4.350 -0.000 0.000 0.295 327 T C -1.538 172.720 174.700 -0.735 0.000 1.075 327 T CA -0.803 60.973 62.100 -0.541 0.000 1.005 327 T CB 1.809 70.357 68.868 -0.534 0.000 1.136 327 T HN 0.605 nan 8.240 nan 0.000 0.498 328 L N 1.129 122.045 121.223 -0.512 0.000 2.409 328 L HA 0.491 4.831 4.340 -0.000 0.000 0.262 328 L C -0.619 176.060 176.870 -0.319 0.000 0.992 328 L CA -1.268 53.335 54.840 -0.395 0.000 0.817 328 L CB 2.221 44.118 42.059 -0.269 0.000 1.350 328 L HN 0.740 nan 8.230 nan 0.000 0.411 329 D N 0.989 121.237 120.400 -0.253 0.000 2.487 329 D HA -0.053 4.587 4.640 -0.000 0.000 0.243 329 D C -0.204 176.111 176.300 0.026 0.000 1.154 329 D CA 0.642 54.574 54.000 -0.114 0.000 0.876 329 D CB 1.120 41.974 40.800 0.090 0.000 1.161 329 D HN 0.506 nan 8.370 nan 0.000 0.478 330 D N 1.841 122.263 120.400 0.037 0.000 2.462 330 D HA 0.070 4.710 4.640 -0.000 0.000 0.221 330 D C -0.310 176.073 176.300 0.138 0.000 1.173 330 D CA -0.149 53.900 54.000 0.082 0.000 0.831 330 D CB 0.382 41.170 40.800 -0.020 0.000 1.001 330 D HN 0.235 nan 8.370 nan 0.000 0.499 331 T N 1.457 116.131 114.554 0.201 0.000 2.946 331 T HA 0.006 4.356 4.350 -0.000 0.000 0.311 331 T C 0.553 175.331 174.700 0.131 0.000 1.063 331 T CA 0.016 62.233 62.100 0.196 0.000 1.139 331 T CB 0.794 69.784 68.868 0.202 0.000 0.994 331 T HN -0.043 nan 8.240 nan 0.000 0.547 332 K N 3.743 124.184 120.400 0.069 0.000 2.319 332 K HA 0.087 4.407 4.320 -0.000 0.000 0.265 332 K C -1.388 175.110 176.600 -0.170 0.000 1.000 332 K CA -1.732 54.498 56.287 -0.095 0.000 0.943 332 K CB 0.295 32.772 32.500 -0.038 0.000 0.950 332 K HN 0.351 nan 8.250 nan 0.000 0.485 333 P HA -0.131 nan 4.420 nan 0.000 0.219 333 P C 0.303 177.536 177.300 -0.111 0.000 1.146 333 P CA 1.355 64.258 63.100 -0.328 0.000 0.808 333 P CB 0.320 31.716 31.700 -0.507 0.000 0.779 334 E N -0.969 119.185 120.200 -0.076 0.000 2.418 334 E HA 0.138 4.488 4.350 -0.000 0.000 0.197 334 E C 1.577 178.174 176.600 -0.006 0.000 1.026 334 E CA 0.977 57.367 56.400 -0.017 0.000 0.862 334 E CB -0.779 28.931 29.700 0.016 0.000 0.799 334 E HN 0.312 nan 8.360 nan 0.000 0.518 335 G N 0.655 109.454 108.800 -0.002 0.000 2.176 335 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.232 335 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.232 335 G C 0.096 174.998 174.900 0.002 0.000 0.986 335 G CA 0.220 45.317 45.100 -0.005 0.000 0.643 335 G HN 0.365 nan 8.290 nan 0.000 0.522 336 N N -0.698 118.025 118.700 0.038 0.000 2.530 336 N HA 0.537 5.277 4.740 -0.000 0.000 0.283 336 N C 0.528 176.139 175.510 0.167 0.000 1.238 336 N CA -0.854 52.201 53.050 0.010 0.000 0.971 336 N CB 0.014 38.436 38.487 -0.109 0.000 1.195 336 N HN 0.607 nan 8.380 nan 0.000 0.583 337 Y N -2.817 117.517 120.300 0.057 0.000 3.168 337 Y HA -0.177 4.373 4.550 0.000 0.000 0.207 337 Y C 0.601 176.641 175.900 0.234 0.000 1.280 337 Y CA 0.300 58.486 58.100 0.143 0.000 1.235 337 Y CB -2.373 36.136 38.460 0.081 0.000 1.370 337 Y HN 0.764 nan 8.280 nan 0.000 0.537 338 A N 0.272 123.259 122.820 0.278 0.000 2.584 338 A HA 0.515 4.835 4.320 -0.000 0.000 0.239 338 A C 0.762 178.595 177.584 0.415 0.000 1.043 338 A CA 0.698 52.913 52.037 0.298 0.000 0.756 338 A CB 0.042 19.151 19.000 0.183 0.000 0.963 338 A HN 1.515 nan 8.150 nan 0.000 0.511 339 A N 2.500 125.562 122.820 0.403 0.000 2.605 339 A HA 0.636 4.956 4.320 -0.000 0.000 0.294 339 A C -1.004 176.583 177.584 0.004 0.000 1.062 339 A CA -0.535 51.554 52.037 0.087 0.000 0.682 339 A CB 0.988 19.722 19.000 -0.443 0.000 1.278 339 A HN 0.725 nan 8.150 nan 0.000 0.410 340 I N 2.468 122.938 120.570 -0.167 0.000 2.406 340 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 340 I C -0.225 175.738 176.117 -0.257 0.000 0.999 340 I CA -0.380 60.690 61.300 -0.383 0.000 1.124 340 I CB 1.658 39.282 38.000 -0.628 0.000 1.289 340 I HN 0.751 nan 8.210 nan 0.000 0.441 341 M N 5.607 125.051 119.600 -0.260 0.000 2.188 341 M HA 0.611 5.091 4.480 -0.000 0.000 0.357 341 M C -0.324 175.820 176.300 -0.259 0.000 1.204 341 M CA -0.134 55.040 55.300 -0.210 0.000 1.095 341 M CB 1.185 33.684 32.600 -0.168 0.000 1.604 341 M HN 0.711 nan 8.290 nan 0.000 0.464 342 G N 4.399 113.097 108.800 -0.170 0.000 2.612 342 G HA2 0.681 4.641 3.960 -0.000 0.000 0.298 342 G HA3 0.681 4.641 3.960 -0.000 0.000 0.298 342 G C -1.982 172.862 174.900 -0.093 0.000 1.336 342 G CA -0.551 44.490 45.100 -0.098 0.000 0.953 342 G HN 0.655 nan 8.290 nan 0.000 0.482 343 F N 0.682 120.774 119.950 0.236 0.000 2.436 343 F HA 0.494 5.021 4.527 0.000 0.000 0.340 343 F C 0.548 176.455 175.800 0.178 0.000 1.113 343 F CA -0.748 57.391 58.000 0.232 0.000 1.022 343 F CB 2.128 41.295 39.000 0.279 0.000 1.128 343 F HN 0.054 nan 8.300 nan 0.000 0.466 344 I N 5.314 126.091 120.570 0.345 0.000 2.304 344 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 344 I C -0.661 175.538 176.117 0.137 0.000 1.018 344 I CA -0.321 61.094 61.300 0.193 0.000 1.260 344 I CB 0.821 38.903 38.000 0.136 0.000 1.390 344 I HN 0.390 nan 8.210 nan 0.000 0.475 345 L N 6.387 127.650 121.223 0.067 0.000 2.325 345 L HA 0.711 5.051 4.340 -0.000 0.000 0.278 345 L C 0.961 177.788 176.870 -0.071 0.000 1.023 345 L CA -0.241 54.597 54.840 -0.003 0.000 0.811 345 L CB 1.552 43.619 42.059 0.013 0.000 1.249 345 L HN 0.902 nan 8.230 nan 0.000 0.431 346 A N 2.091 124.863 122.820 -0.079 0.000 5.308 346 A HA -0.369 3.951 4.320 -0.000 0.000 0.321 346 A C 1.717 179.286 177.584 -0.026 0.000 1.849 346 A CA 1.638 53.637 52.037 -0.063 0.000 0.713 346 A CB -1.636 17.326 19.000 -0.063 0.000 1.360 346 A HN 1.093 nan 8.150 nan 0.000 0.384 347 H N 0.984 120.041 119.070 -0.022 0.000 2.457 347 H HA -0.034 4.522 4.556 -0.000 0.000 0.297 347 H C 1.682 177.024 175.328 0.023 0.000 1.092 347 H CA 1.837 57.890 56.048 0.008 0.000 1.309 347 H CB -0.367 29.407 29.762 0.021 0.000 1.382 347 H HN 0.738 nan 8.280 nan 0.000 0.535 348 K N 0.703 120.758 120.400 -0.576 0.000 2.148 348 K HA 0.059 4.379 4.320 -0.000 0.000 0.204 348 K C 2.585 179.122 176.600 -0.106 0.000 1.050 348 K CA 0.883 56.960 56.287 -0.349 0.000 0.942 348 K CB 0.041 32.349 32.500 -0.321 0.000 0.724 348 K HN 0.328 nan 8.250 nan 0.000 0.446 349 A N 1.511 124.296 122.820 -0.058 0.000 1.902 349 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 349 A C 2.079 179.675 177.584 0.019 0.000 1.181 349 A CA 1.376 53.419 52.037 0.011 0.000 0.623 349 A CB -0.301 18.718 19.000 0.031 0.000 0.818 349 A HN 0.116 nan 8.150 nan 0.000 0.443 350 R N -0.220 120.292 120.500 0.020 0.000 2.073 350 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 350 R C 2.337 178.658 176.300 0.035 0.000 1.134 350 R CA 1.811 57.932 56.100 0.036 0.000 0.952 350 R CB -0.311 30.023 30.300 0.056 0.000 0.850 350 R HN 0.619 nan 8.270 nan 0.000 0.433 351 K N 0.498 120.918 120.400 0.033 0.000 2.025 351 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 351 K C 1.556 178.170 176.600 0.024 0.000 1.049 351 K CA 1.313 57.624 56.287 0.039 0.000 0.933 351 K CB 0.011 32.543 32.500 0.054 0.000 0.714 351 K HN 0.162 nan 8.250 nan 0.000 0.438 352 L N 0.280 121.512 121.223 0.014 0.000 2.558 352 L HA 0.106 4.446 4.340 -0.000 0.000 0.225 352 L C 2.212 179.098 176.870 0.026 0.000 1.128 352 L CA 0.195 55.045 54.840 0.017 0.000 0.868 352 L CB -0.060 42.006 42.059 0.013 0.000 1.006 352 L HN 0.185 nan 8.230 nan 0.000 0.454 353 A N 0.598 123.435 122.820 0.028 0.000 2.070 353 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 353 A C 2.352 179.950 177.584 0.022 0.000 1.159 353 A CA 1.105 53.159 52.037 0.029 0.000 0.656 353 A CB -0.353 18.663 19.000 0.027 0.000 0.800 353 A HN 0.360 nan 8.150 nan 0.000 0.453 354 R N -0.593 119.919 120.500 0.020 0.000 2.152 354 R HA 0.028 4.368 4.340 -0.000 0.000 0.232 354 R C 0.282 176.591 176.300 0.014 0.000 1.117 354 R CA 0.372 56.481 56.100 0.016 0.000 0.981 354 R CB -0.532 29.777 30.300 0.016 0.000 0.870 354 R HN 0.447 nan 8.270 nan 0.000 0.451 355 L N 0.655 121.887 121.223 0.016 0.000 2.475 355 L HA 0.095 4.435 4.340 -0.000 0.000 0.253 355 L C 1.085 177.965 176.870 0.017 0.000 1.198 355 L CA -0.445 54.402 54.840 0.013 0.000 0.814 355 L CB 0.380 42.444 42.059 0.008 0.000 1.134 355 L HN 0.129 nan 8.230 nan 0.000 0.478 356 T N -2.879 111.683 114.554 0.014 0.000 2.849 356 T HA 0.125 4.475 4.350 -0.000 0.000 0.284 356 T C 0.866 175.588 174.700 0.035 0.000 1.004 356 T CA -0.668 61.445 62.100 0.021 0.000 1.021 356 T CB 1.275 70.151 68.868 0.013 0.000 1.013 356 T HN 0.663 nan 8.240 nan 0.000 0.527 357 K N 0.299 120.734 120.400 0.059 0.000 2.063 357 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 357 K C 1.931 178.568 176.600 0.063 0.000 1.048 357 K CA 1.882 58.242 56.287 0.121 0.000 0.928 357 K CB -0.205 32.379 32.500 0.140 0.000 0.713 357 K HN 0.679 nan 8.250 nan 0.000 0.442 358 E N 0.778 120.988 120.200 0.016 0.000 2.077 358 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 358 E C 1.801 178.356 176.600 -0.075 0.000 0.989 358 E CA 1.463 57.839 56.400 -0.039 0.000 0.800 358 E CB 0.001 29.691 29.700 -0.017 0.000 0.746 358 E HN 0.411 nan 8.360 nan 0.000 0.452 359 E N 0.191 120.365 120.200 -0.044 0.000 2.106 359 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 359 E C 2.148 178.703 176.600 -0.075 0.000 0.984 359 E CA 0.719 57.090 56.400 -0.050 0.000 0.806 359 E CB -0.037 29.649 29.700 -0.023 0.000 0.750 359 E HN 0.131 nan 8.360 nan 0.000 0.458 360 R N 0.317 120.778 120.500 -0.065 0.000 2.075 360 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 360 R C 2.483 178.644 176.300 -0.232 0.000 1.126 360 R CA 0.843 56.895 56.100 -0.080 0.000 0.963 360 R CB -0.382 29.936 30.300 0.030 0.000 0.858 360 R HN 0.121 nan 8.270 nan 0.000 0.435 361 L N 1.845 122.814 121.223 -0.424 0.000 2.012 361 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 361 L C 2.212 178.866 176.870 -0.361 0.000 1.073 361 L CA 1.917 56.346 54.840 -0.686 0.000 0.748 361 L CB -0.487 41.097 42.059 -0.792 0.000 0.891 361 L HN 0.018 nan 8.230 nan 0.000 0.431 362 K N -0.491 119.772 120.400 -0.229 0.000 2.026 362 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 362 K C 2.178 178.690 176.600 -0.147 0.000 1.048 362 K CA 1.781 57.980 56.287 -0.147 0.000 0.929 362 K CB -0.113 32.330 32.500 -0.096 0.000 0.713 362 K HN 0.345 nan 8.250 nan 0.000 0.439 363 K N 0.203 120.514 120.400 -0.148 0.000 2.063 363 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 363 K C 2.113 178.579 176.600 -0.223 0.000 1.048 363 K CA 1.215 57.418 56.287 -0.140 0.000 0.928 363 K CB -0.118 32.321 32.500 -0.102 0.000 0.713 363 K HN 0.058 nan 8.250 nan 0.000 0.442 364 L N 0.767 121.803 121.223 -0.312 0.000 2.027 364 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 364 L C 2.450 178.893 176.870 -0.712 0.000 1.074 364 L CA 1.523 56.010 54.840 -0.588 0.000 0.745 364 L CB -0.712 41.032 42.059 -0.525 0.000 0.898 364 L HN 0.231 nan 8.230 nan 0.000 0.433 365 C N -0.701 118.397 119.300 -0.337 0.000 2.429 365 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 365 C C 2.628 177.589 174.990 -0.047 0.000 1.262 365 C CA 0.532 59.500 59.018 -0.083 0.000 1.733 365 C CB -0.789 26.960 27.740 0.015 0.000 2.010 365 C HN 0.549 nan 8.230 nan 0.000 0.483 366 E N 0.349 120.493 120.200 -0.094 0.000 2.106 366 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 366 E C 1.998 178.564 176.600 -0.057 0.000 0.984 366 E CA 0.895 57.264 56.400 -0.052 0.000 0.806 366 E CB -0.260 29.408 29.700 -0.052 0.000 0.750 366 E HN 0.521 nan 8.360 nan 0.000 0.458 367 L N 0.405 121.547 121.223 -0.133 0.000 1.994 367 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 367 L C 2.043 178.915 176.870 0.004 0.000 1.071 367 L CA 1.741 56.513 54.840 -0.112 0.000 0.745 367 L CB -0.639 41.312 42.059 -0.180 0.000 0.892 367 L HN 0.189 nan 8.230 nan 0.000 0.431 368 Y N -0.647 119.636 120.300 -0.029 0.000 2.207 368 Y HA -0.257 4.293 4.550 -0.000 0.000 0.287 368 Y C 2.532 178.439 175.900 0.012 0.000 1.156 368 Y CA 0.339 58.426 58.100 -0.022 0.000 1.182 368 Y CB -0.537 37.948 38.460 0.041 0.000 0.979 368 Y HN 0.398 nan 8.280 nan 0.000 0.521 369 A N 0.410 123.340 122.820 0.183 0.000 1.902 369 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 369 A C 2.140 179.773 177.584 0.082 0.000 1.181 369 A CA 1.790 53.901 52.037 0.124 0.000 0.623 369 A CB -0.538 18.508 19.000 0.077 0.000 0.818 369 A HN 0.370 nan 8.150 nan 0.000 0.443 370 K N -0.526 119.899 120.400 0.042 0.000 2.002 370 K HA -0.079 4.241 4.320 -0.000 0.000 0.209 370 K C 1.889 178.487 176.600 -0.003 0.000 1.048 370 K CA 1.595 57.894 56.287 0.020 0.000 0.930 370 K CB -0.258 32.233 32.500 -0.015 0.000 0.714 370 K HN 0.270 nan 8.250 nan 0.000 0.438 371 V N 1.442 121.296 119.914 -0.099 0.000 2.358 371 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 371 V C 2.024 178.072 176.094 -0.076 0.000 1.047 371 V CA 1.487 63.687 62.300 -0.168 0.000 1.035 371 V CB -0.288 31.385 31.823 -0.250 0.000 0.658 371 V HN 0.301 nan 8.190 nan 0.000 0.452 372 L N 0.367 121.581 121.223 -0.015 0.000 2.558 372 L HA 0.305 4.645 4.340 -0.000 0.000 0.225 372 L C 1.657 178.656 176.870 0.214 0.000 1.128 372 L CA 0.674 55.544 54.840 0.050 0.000 0.868 372 L CB -0.647 41.513 42.059 0.169 0.000 1.006 372 L HN 0.532 nan 8.230 nan 0.000 0.454 373 G N 0.815 109.701 108.800 0.144 0.000 2.356 373 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.296 373 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.296 373 G C -0.026 174.962 174.900 0.146 0.000 1.022 373 G CA 0.541 45.725 45.100 0.140 0.000 0.961 373 G HN 0.352 nan 8.290 nan 0.000 0.510 374 S N -0.748 115.038 115.700 0.143 0.000 2.733 374 S HA 0.456 4.926 4.470 -0.000 0.000 0.294 374 S C 1.217 175.810 174.600 -0.012 0.000 1.149 374 S CA -0.760 57.496 58.200 0.094 0.000 1.034 374 S CB 1.683 65.026 63.200 0.239 0.000 1.015 374 S HN 0.245 nan 8.310 nan 0.000 0.486 375 L N 2.051 123.241 121.223 -0.055 0.000 2.265 375 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 375 L C 2.189 178.959 176.870 -0.167 0.000 1.117 375 L CA 1.224 56.020 54.840 -0.074 0.000 0.782 375 L CB -0.356 41.671 42.059 -0.054 0.000 0.914 375 L HN 0.689 nan 8.230 nan 0.000 0.441 376 E N 0.392 120.367 120.200 -0.374 0.000 2.209 376 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 376 E C 2.236 178.460 176.600 -0.628 0.000 0.993 376 E CA 1.039 57.038 56.400 -0.668 0.000 0.819 376 E CB -0.158 28.768 29.700 -1.290 0.000 0.745 376 E HN 0.525 nan 8.360 nan 0.000 0.477 377 A N 0.743 123.314 122.820 -0.415 0.000 2.121 377 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 377 A C 1.894 179.655 177.584 0.295 0.000 1.154 377 A CA 0.736 52.819 52.037 0.076 0.000 0.679 377 A CB -0.322 18.857 19.000 0.299 0.000 0.795 377 A HN 0.164 nan 8.150 nan 0.000 0.458 378 L N -1.187 120.109 121.223 0.123 0.000 2.591 378 L HA 0.117 4.457 4.340 -0.000 0.000 0.228 378 L C 0.376 177.324 176.870 0.130 0.000 1.133 378 L CA 0.256 55.164 54.840 0.113 0.000 0.880 378 L CB -0.006 42.078 42.059 0.041 0.000 1.033 378 L HN 0.211 nan 8.230 nan 0.000 0.450 379 E N 0.858 121.181 120.200 0.205 0.000 3.312 379 E HA 0.185 4.535 4.350 -0.000 0.000 0.215 379 E C -2.238 174.530 176.600 0.280 0.000 1.160 379 E CA -1.733 54.778 56.400 0.184 0.000 1.267 379 E CB 0.605 30.369 29.700 0.107 0.000 1.361 379 E HN 0.059 nan 8.360 nan 0.000 0.433 380 P HA -0.038 nan 4.420 nan 0.000 0.272 380 P C 0.792 178.123 177.300 0.051 0.000 1.223 380 P CA -0.049 63.017 63.100 -0.057 0.000 0.784 380 P CB 1.608 33.228 31.700 -0.134 0.000 0.923 381 V N -1.786 118.175 119.914 0.079 0.000 3.431 381 V HA 0.288 4.408 4.120 -0.000 0.000 0.253 381 V C 0.529 176.749 176.094 0.210 0.000 1.184 381 V CA 0.882 63.266 62.300 0.138 0.000 1.104 381 V CB -1.150 30.759 31.823 0.144 0.000 0.799 381 V HN 0.668 nan 8.190 nan 0.000 0.462 382 H N -1.268 117.869 119.070 0.112 0.000 2.987 382 H HA 0.631 5.186 4.556 -0.000 0.000 0.316 382 H C -2.271 173.263 175.328 0.344 0.000 1.380 382 H CA -0.766 55.366 56.048 0.141 0.000 1.160 382 H CB 1.951 31.692 29.762 -0.035 0.000 1.865 382 H HN 0.154 nan 8.280 nan 0.000 0.521 383 Y N 1.388 121.409 120.300 -0.466 0.000 2.482 383 Y HA 0.496 5.046 4.550 -0.000 0.000 0.334 383 Y C -1.756 174.002 175.900 -0.237 0.000 1.091 383 Y CA -0.622 57.383 58.100 -0.158 0.000 1.027 383 Y CB 1.716 40.103 38.460 -0.120 0.000 1.306 383 Y HN 0.628 nan 8.280 nan 0.000 0.446 384 E N 4.308 124.227 120.200 -0.467 0.000 2.317 384 E HA 0.423 4.773 4.350 -0.000 0.000 0.270 384 E C -1.496 174.733 176.600 -0.619 0.000 0.885 384 E CA -0.805 55.344 56.400 -0.417 0.000 0.760 384 E CB 2.792 32.483 29.700 -0.016 0.000 1.227 384 E HN 0.763 nan 8.360 nan 0.000 0.434 385 E N 0.461 120.412 120.200 -0.416 0.000 2.412 385 E HA 0.657 5.007 4.350 -0.000 0.000 0.279 385 E C -1.224 175.332 176.600 -0.073 0.000 0.984 385 E CA -1.051 55.205 56.400 -0.241 0.000 0.788 385 E CB 2.648 32.188 29.700 -0.266 0.000 1.277 385 E HN 0.178 nan 8.360 nan 0.000 0.455 386 K N 1.457 121.865 120.400 0.013 0.000 2.565 386 K HA 0.270 4.590 4.320 -0.000 0.000 0.249 386 K C -1.557 175.018 176.600 -0.042 0.000 0.958 386 K CA -0.754 55.483 56.287 -0.083 0.000 0.806 386 K CB 1.481 33.890 32.500 -0.152 0.000 1.194 386 K HN 0.524 nan 8.250 nan 0.000 0.434 387 N N 4.104 122.741 118.700 -0.105 0.000 2.437 387 N HA 0.097 4.837 4.740 -0.000 0.000 0.243 387 N C -0.240 175.223 175.510 -0.079 0.000 1.041 387 N CA -0.341 52.707 53.050 -0.005 0.000 0.940 387 N CB 0.339 38.830 38.487 0.006 0.000 1.133 387 N HN 0.649 nan 8.380 nan 0.000 0.506 388 W N 2.193 123.530 121.300 0.060 0.000 2.800 388 W HA 0.058 4.718 4.660 -0.000 0.000 0.249 388 W C 1.955 178.488 176.519 0.024 0.000 1.294 388 W CA -0.099 57.276 57.345 0.050 0.000 1.402 388 W CB -0.148 29.356 29.460 0.074 0.000 1.126 388 W HN 0.590 nan 8.180 nan 0.000 0.652 389 C N 0.445 119.848 119.300 0.172 0.000 2.419 389 C HA -0.164 4.296 4.460 -0.000 0.000 0.283 389 C C 2.349 177.364 174.990 0.042 0.000 1.373 389 C CA 1.421 60.496 59.018 0.096 0.000 1.781 389 C CB -1.465 26.315 27.740 0.067 0.000 1.886 389 C HN 0.498 nan 8.230 nan 0.000 0.520 390 E N 0.840 121.043 120.200 0.006 0.000 2.478 390 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 390 E C -0.043 176.526 176.600 -0.051 0.000 1.045 390 E CA 0.386 56.765 56.400 -0.035 0.000 0.868 390 E CB -0.187 29.477 29.700 -0.061 0.000 0.885 390 E HN 0.507 nan 8.360 nan 0.000 0.505 391 E N 2.168 122.356 120.200 -0.021 0.000 2.129 391 E HA -0.017 4.333 4.350 -0.000 0.000 0.283 391 E C 0.462 177.040 176.600 -0.037 0.000 1.080 391 E CA 0.019 56.410 56.400 -0.016 0.000 0.867 391 E CB 1.517 31.265 29.700 0.080 0.000 1.056 391 E HN 0.350 nan 8.360 nan 0.000 0.404 392 Q N 2.969 122.681 119.800 -0.146 0.000 2.135 392 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 392 Q C 0.353 176.114 176.000 -0.398 0.000 0.981 392 Q CA 1.582 57.181 55.803 -0.341 0.000 0.856 392 Q CB 0.105 28.502 28.738 -0.567 0.000 0.902 392 Q HN 0.600 nan 8.270 nan 0.000 0.425 393 Y N -0.975 119.352 120.300 0.045 0.000 2.571 393 Y HA 0.254 4.804 4.550 -0.000 0.000 0.275 393 Y C 1.438 177.397 175.900 0.097 0.000 1.179 393 Y CA -0.347 57.789 58.100 0.060 0.000 1.242 393 Y CB 0.902 39.389 38.460 0.046 0.000 1.126 393 Y HN 0.071 nan 8.280 nan 0.000 0.524 394 S N -1.617 114.204 115.700 0.201 0.000 2.931 394 S HA 0.300 4.770 4.470 -0.000 0.000 0.251 394 S C 1.818 176.498 174.600 0.133 0.000 1.078 394 S CA 0.553 58.879 58.200 0.210 0.000 0.835 394 S CB 0.617 64.023 63.200 0.344 0.000 0.798 394 S HN 0.524 nan 8.310 nan 0.000 0.495 395 G N 0.992 109.852 108.800 0.099 0.000 2.217 395 G HA2 0.104 4.064 3.960 -0.000 0.000 0.246 395 G HA3 0.104 4.064 3.960 -0.000 0.000 0.246 395 G C 0.487 175.427 174.900 0.067 0.000 0.990 395 G CA 0.045 45.174 45.100 0.047 0.000 0.627 395 G HN 1.393 nan 8.290 nan 0.000 0.522 396 G N -2.319 106.560 108.800 0.131 0.000 2.362 396 G HA2 0.519 4.479 3.960 -0.000 0.000 0.288 396 G HA3 0.519 4.479 3.960 -0.000 0.000 0.288 396 G C -0.986 173.988 174.900 0.124 0.000 1.305 396 G CA 0.317 45.499 45.100 0.137 0.000 0.910 396 G HN 1.481 nan 8.290 nan 0.000 0.518 397 C N -1.626 117.697 119.300 0.038 0.000 3.311 397 C HA 0.593 5.053 4.460 -0.000 0.000 0.325 397 C C 0.779 175.608 174.990 -0.267 0.000 1.352 397 C CA -0.637 58.328 59.018 -0.087 0.000 1.308 397 C CB 0.789 28.384 27.740 -0.241 0.000 1.619 397 C HN 0.740 nan 8.230 nan 0.000 0.469 398 Y N 0.579 120.815 120.300 -0.107 0.000 2.337 398 Y HA 0.228 4.778 4.550 -0.000 0.000 0.293 398 Y C 1.557 177.429 175.900 -0.047 0.000 1.123 398 Y CA 1.123 59.133 58.100 -0.150 0.000 1.201 398 Y CB -0.353 37.996 38.460 -0.184 0.000 1.011 398 Y HN 0.677 nan 8.280 nan 0.000 0.545 399 T N -1.873 112.770 114.554 0.149 0.000 2.665 399 T HA 0.336 4.686 4.350 -0.000 0.000 0.303 399 T C -0.824 173.986 174.700 0.183 0.000 1.334 399 T CA -0.720 61.508 62.100 0.213 0.000 1.011 399 T CB 1.075 70.164 68.868 0.369 0.000 1.573 399 T HN -0.153 nan 8.240 nan 0.000 0.492 400 T N 2.689 117.367 114.554 0.206 0.000 2.851 400 T HA 0.473 4.823 4.350 -0.000 0.000 0.298 400 T C -0.791 173.946 174.700 0.063 0.000 0.977 400 T CA 0.048 62.179 62.100 0.052 0.000 1.126 400 T CB -0.383 68.507 68.868 0.036 0.000 0.916 400 T HN 0.466 nan 8.240 nan 0.000 0.529 401 Y N 1.042 121.151 120.300 -0.319 0.000 2.496 401 Y HA 0.788 5.338 4.550 0.000 0.000 0.331 401 Y C -1.262 174.109 175.900 -0.882 0.000 1.140 401 Y CA -2.217 55.349 58.100 -0.889 0.000 1.166 401 Y CB 0.755 38.827 38.460 -0.646 0.000 1.249 401 Y HN 0.399 nan 8.280 nan 0.000 0.479 402 F N 3.328 122.526 119.950 -1.253 0.000 2.402 402 F HA 0.563 5.090 4.527 -0.000 0.000 0.355 402 F C -2.301 173.400 175.800 -0.166 0.000 1.123 402 F CA -2.761 54.869 58.000 -0.616 0.000 1.021 402 F CB 1.471 40.152 39.000 -0.532 0.000 1.160 402 F HN 0.367 nan 8.300 nan 0.000 0.451 403 P HA 0.106 nan 4.420 nan 0.000 0.273 403 P C -2.536 174.862 177.300 0.163 0.000 1.250 403 P CA -1.134 62.047 63.100 0.135 0.000 0.793 403 P CB -0.147 31.584 31.700 0.051 0.000 1.011 404 P HA -0.037 nan 4.420 nan 0.000 0.262 404 P C 0.865 178.256 177.300 0.151 0.000 1.182 404 P CA 1.264 64.464 63.100 0.167 0.000 0.761 404 P CB -0.072 31.709 31.700 0.135 0.000 0.795 405 G N 2.986 111.890 108.800 0.173 0.000 2.213 405 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.236 405 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.236 405 G C 0.778 175.792 174.900 0.191 0.000 0.991 405 G CA 0.043 45.236 45.100 0.155 0.000 0.629 405 G HN 0.429 nan 8.290 nan 0.000 0.517 406 I N 0.192 120.905 120.570 0.238 0.000 2.494 406 I HA 0.176 4.346 4.170 -0.000 0.000 0.250 406 I C 2.606 178.963 176.117 0.399 0.000 1.112 406 I CA 1.220 62.713 61.300 0.321 0.000 1.438 406 I CB -1.140 36.970 38.000 0.184 0.000 1.111 406 I HN 0.270 nan 8.210 nan 0.000 0.431 407 L N 1.176 122.623 121.223 0.374 0.000 2.046 407 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 407 L C 2.635 179.587 176.870 0.138 0.000 1.077 407 L CA 2.461 57.411 54.840 0.184 0.000 0.747 407 L CB -0.942 41.123 42.059 0.010 0.000 0.896 407 L HN 0.423 nan 8.230 nan 0.000 0.432 408 T N -4.224 110.418 114.554 0.146 0.000 2.821 408 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 408 T C 1.811 176.477 174.700 -0.056 0.000 1.046 408 T CA 0.970 63.124 62.100 0.090 0.000 1.139 408 T CB -0.336 68.590 68.868 0.097 0.000 0.871 408 T HN 0.353 nan 8.240 nan 0.000 0.454 409 Q N -0.085 119.683 119.800 -0.054 0.000 2.163 409 Q HA 0.104 4.444 4.340 -0.000 0.000 0.198 409 Q C 1.162 176.855 176.000 -0.512 0.000 0.954 409 Q CA 1.185 56.816 55.803 -0.287 0.000 0.851 409 Q CB -0.004 28.557 28.738 -0.295 0.000 0.928 409 Q HN 0.771 nan 8.270 nan 0.000 0.459 410 Y N -1.710 118.527 120.300 -0.104 0.000 2.471 410 Y HA 0.266 4.816 4.550 -0.000 0.000 0.249 410 Y C 2.023 177.810 175.900 -0.189 0.000 1.116 410 Y CA 0.090 58.112 58.100 -0.131 0.000 1.240 410 Y CB 0.203 38.623 38.460 -0.066 0.000 1.251 410 Y HN 0.082 nan 8.280 nan 0.000 0.527 411 G N 1.654 110.383 108.800 -0.119 0.000 2.442 411 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 411 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 411 G C 1.759 176.248 174.900 -0.685 0.000 1.141 411 G CA 1.143 46.089 45.100 -0.257 0.000 0.763 411 G HN 0.408 nan 8.290 nan 0.000 0.554 412 R N 0.694 120.508 120.500 -1.142 0.000 2.237 412 R HA 0.011 4.351 4.340 -0.000 0.000 0.219 412 R C 2.018 178.090 176.300 -0.380 0.000 1.080 412 R CA 1.555 57.015 56.100 -1.066 0.000 0.995 412 R CB -0.680 29.006 30.300 -1.024 0.000 0.875 412 R HN 0.529 nan 8.270 nan 0.000 0.462 413 V N -2.150 117.601 119.914 -0.271 0.000 3.649 413 V HA 0.113 4.233 4.120 -0.000 0.000 0.275 413 V C 2.052 178.050 176.094 -0.160 0.000 1.281 413 V CA 0.124 62.325 62.300 -0.164 0.000 1.143 413 V CB -0.313 31.424 31.823 -0.143 0.000 0.892 413 V HN 0.144 nan 8.190 nan 0.000 0.441 414 L N 1.608 122.772 121.223 -0.099 0.000 2.021 414 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 414 L C 2.764 179.578 176.870 -0.094 0.000 1.074 414 L CA 2.713 57.517 54.840 -0.060 0.000 0.760 414 L CB -0.061 42.058 42.059 0.100 0.000 0.889 414 L HN 0.557 nan 8.230 nan 0.000 0.433 415 R N -0.848 119.689 120.500 0.062 0.000 2.577 415 R HA 0.146 4.486 4.340 -0.000 0.000 0.344 415 R C 0.473 176.923 176.300 0.249 0.000 1.037 415 R CA -0.247 55.976 56.100 0.205 0.000 1.102 415 R CB -0.056 30.429 30.300 0.309 0.000 1.313 415 R HN 0.218 nan 8.270 nan 0.000 0.561 416 Q N 2.662 122.531 119.800 0.115 0.000 2.286 416 Q HA 0.214 4.554 4.340 -0.000 0.000 0.267 416 Q C -2.102 174.021 176.000 0.205 0.000 1.028 416 Q CA -2.112 53.764 55.803 0.121 0.000 0.901 416 Q CB 0.870 29.622 28.738 0.023 0.000 1.183 416 Q HN 0.028 nan 8.270 nan 0.000 0.392 417 P HA -0.052 nan 4.420 nan 0.000 0.267 417 P C -1.267 176.032 177.300 -0.000 0.000 1.200 417 P CA -0.035 63.017 63.100 -0.080 0.000 0.772 417 P CB 0.651 32.055 31.700 -0.494 0.000 0.855 418 V N 3.433 123.351 119.914 0.007 0.000 2.275 418 V HA 0.149 4.269 4.120 -0.000 0.000 0.272 418 V C 0.694 176.749 176.094 -0.066 0.000 1.028 418 V CA 0.094 62.398 62.300 0.007 0.000 0.810 418 V CB 0.113 31.982 31.823 0.077 0.000 1.043 418 V HN 0.772 nan 8.190 nan 0.000 0.453 419 D N 4.071 124.437 120.400 -0.058 0.000 4.372 419 D HA -0.306 4.334 4.640 -0.000 0.000 0.169 419 D C 1.363 177.639 176.300 -0.041 0.000 0.680 419 D CA 2.427 56.409 54.000 -0.030 0.000 1.152 419 D CB -0.248 40.549 40.800 -0.006 0.000 0.585 419 D HN 0.575 nan 8.370 nan 0.000 0.493 420 R N -0.141 120.361 120.500 0.004 0.000 2.432 420 R HA 0.446 4.786 4.340 -0.000 0.000 0.260 420 R C -0.171 176.212 176.300 0.138 0.000 0.935 420 R CA -0.154 56.039 56.100 0.155 0.000 1.080 420 R CB 0.454 30.804 30.300 0.084 0.000 1.155 420 R HN 0.291 nan 8.270 nan 0.000 0.531 421 I N 1.251 121.753 120.570 -0.113 0.000 2.331 421 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 421 I C -0.562 175.192 176.117 -0.605 0.000 0.998 421 I CA -0.602 60.550 61.300 -0.246 0.000 1.267 421 I CB 0.639 38.472 38.000 -0.278 0.000 1.386 421 I HN -0.081 nan 8.210 nan 0.000 0.476 422 Y N 5.293 125.348 120.300 -0.409 0.000 2.487 422 Y HA 0.544 5.094 4.550 -0.000 0.000 0.337 422 Y C -0.528 175.044 175.900 -0.545 0.000 1.076 422 Y CA -0.688 57.206 58.100 -0.344 0.000 1.115 422 Y CB 1.571 39.955 38.460 -0.127 0.000 1.235 422 Y HN 0.282 nan 8.280 nan 0.000 0.468 423 F N 1.259 121.323 119.950 0.189 0.000 2.427 423 F HA 0.711 5.238 4.527 -0.000 0.000 0.348 423 F C 0.408 176.288 175.800 0.133 0.000 1.125 423 F CA -0.594 57.489 58.000 0.139 0.000 0.989 423 F CB 1.113 40.179 39.000 0.110 0.000 1.165 423 F HN 0.598 nan 8.300 nan 0.000 0.442 424 A N 2.288 125.258 122.820 0.250 0.000 3.444 424 A HA 0.954 5.274 4.320 -0.000 0.000 0.189 424 A C 0.397 178.110 177.584 0.216 0.000 1.542 424 A CA -0.390 51.759 52.037 0.187 0.000 0.867 424 A CB -0.060 19.007 19.000 0.111 0.000 1.712 424 A HN 1.501 nan 8.150 nan 0.000 0.556 425 G N -2.548 106.358 108.800 0.176 0.000 2.777 425 G HA2 0.082 4.042 3.960 -0.000 0.000 0.686 425 G HA3 0.082 4.042 3.960 -0.000 0.000 0.686 425 G C 0.430 175.458 174.900 0.213 0.000 1.177 425 G CA 0.593 45.805 45.100 0.186 0.000 0.775 425 G HN 1.517 nan 8.290 nan 0.000 0.613 426 T N 0.184 114.866 114.554 0.213 0.000 2.849 426 T HA -0.108 4.242 4.350 -0.000 0.000 0.270 426 T C 2.113 177.010 174.700 0.328 0.000 1.066 426 T CA 2.678 64.930 62.100 0.254 0.000 1.130 426 T CB -0.173 68.843 68.868 0.247 0.000 0.864 426 T HN 0.620 nan 8.240 nan 0.000 0.481 427 E N 0.456 120.856 120.200 0.334 0.000 2.265 427 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 427 E C 2.217 179.066 176.600 0.416 0.000 0.996 427 E CA 1.506 58.153 56.400 0.412 0.000 0.832 427 E CB -0.169 29.739 29.700 0.347 0.000 0.756 427 E HN 0.702 nan 8.360 nan 0.000 0.491 428 T N -2.615 112.149 114.554 0.349 0.000 3.086 428 T HA 0.455 4.805 4.350 -0.000 0.000 0.250 428 T C 0.787 175.718 174.700 0.385 0.000 1.074 428 T CA 0.002 62.310 62.100 0.346 0.000 0.988 428 T CB 0.202 69.252 68.868 0.304 0.000 0.988 428 T HN 0.092 nan 8.240 nan 0.000 0.530 429 A N 1.702 124.752 122.820 0.384 0.000 2.346 429 A HA 0.548 4.868 4.320 -0.000 0.000 0.252 429 A C 1.481 179.323 177.584 0.430 0.000 1.089 429 A CA 0.102 52.366 52.037 0.378 0.000 0.797 429 A CB 0.366 19.548 19.000 0.304 0.000 1.047 429 A HN 0.511 nan 8.150 nan 0.000 0.494 430 T N -2.531 112.254 114.554 0.386 0.000 3.010 430 T HA 0.245 4.595 4.350 -0.000 0.000 0.257 430 T C 0.222 175.023 174.700 0.169 0.000 1.020 430 T CA 0.616 62.901 62.100 0.307 0.000 0.938 430 T CB -0.361 68.640 68.868 0.221 0.000 1.049 430 T HN 0.756 nan 8.240 nan 0.000 0.522 431 H N -1.005 118.087 119.070 0.038 0.000 3.018 431 H HA 0.270 4.826 4.556 -0.000 0.000 0.334 431 H C -1.016 174.326 175.328 0.022 0.000 0.983 431 H CA -1.068 54.927 56.048 -0.088 0.000 1.363 431 H CB 0.905 30.673 29.762 0.010 0.000 1.668 431 H HN 0.307 nan 8.280 nan 0.000 0.513 432 W N 2.177 123.195 121.300 -0.469 0.000 5.121 432 W HA -0.245 4.415 4.660 -0.000 0.000 0.372 432 W C 0.473 176.894 176.519 -0.162 0.000 1.394 432 W CA 0.935 57.959 57.345 -0.535 0.000 0.885 432 W CB -1.721 27.337 29.460 -0.671 0.000 2.520 432 W HN 0.400 nan 8.180 nan 0.000 1.455 433 S N 0.543 116.255 115.700 0.021 0.000 2.558 433 S HA 0.375 4.845 4.470 -0.000 0.000 0.293 433 S C 1.399 176.200 174.600 0.334 0.000 1.292 433 S CA 1.750 60.083 58.200 0.221 0.000 1.063 433 S CB 0.737 64.135 63.200 0.331 0.000 0.831 433 S HN 1.433 nan 8.310 nan 0.000 0.499 434 G N 3.126 112.208 108.800 0.469 0.000 2.213 434 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.226 434 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.226 434 G C -0.214 174.848 174.900 0.271 0.000 0.992 434 G CA 0.216 45.615 45.100 0.498 0.000 0.632 434 G HN 0.677 nan 8.290 nan 0.000 0.511 435 Y N -0.435 119.975 120.300 0.183 0.000 2.602 435 Y HA 0.720 5.270 4.550 -0.000 0.000 0.330 435 Y C 1.984 177.924 175.900 0.067 0.000 1.114 435 Y CA -0.779 57.381 58.100 0.100 0.000 1.182 435 Y CB 0.820 39.327 38.460 0.078 0.000 1.305 435 Y HN -0.027 nan 8.280 nan 0.000 0.502 436 M N -0.136 119.573 119.600 0.182 0.000 2.149 436 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 436 M C 1.839 178.201 176.300 0.105 0.000 1.064 436 M CA 1.951 57.322 55.300 0.119 0.000 1.102 436 M CB -0.237 32.425 32.600 0.104 0.000 1.369 436 M HN 0.785 nan 8.290 nan 0.000 0.408 437 E N 0.746 120.986 120.200 0.066 0.000 2.049 437 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 437 E C 1.960 178.619 176.600 0.097 0.000 1.007 437 E CA 2.116 58.519 56.400 0.005 0.000 0.809 437 E CB -0.708 28.866 29.700 -0.211 0.000 0.749 437 E HN 0.431 nan 8.360 nan 0.000 0.450 438 G N 0.055 108.960 108.800 0.175 0.000 2.450 438 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 438 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 438 G C 1.709 176.720 174.900 0.184 0.000 1.130 438 G CA 1.189 46.414 45.100 0.209 0.000 0.760 438 G HN 0.483 nan 8.290 nan 0.000 0.557 439 A N 0.201 123.119 122.820 0.164 0.000 1.908 439 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 439 A C 2.621 180.265 177.584 0.100 0.000 1.181 439 A CA 1.962 54.079 52.037 0.133 0.000 0.627 439 A CB -0.651 18.418 19.000 0.114 0.000 0.818 439 A HN 0.271 nan 8.150 nan 0.000 0.445 440 V N 0.082 120.047 119.914 0.085 0.000 2.307 440 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 440 V C 2.542 178.673 176.094 0.062 0.000 1.045 440 V CA 2.216 64.552 62.300 0.060 0.000 1.024 440 V CB -0.804 31.048 31.823 0.048 0.000 0.651 440 V HN 0.757 nan 8.190 nan 0.000 0.449 441 E N 0.499 120.755 120.200 0.092 0.000 2.070 441 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 441 E C 2.213 178.847 176.600 0.058 0.000 1.004 441 E CA 1.849 58.310 56.400 0.102 0.000 0.805 441 E CB -0.200 29.608 29.700 0.180 0.000 0.744 441 E HN 0.549 nan 8.360 nan 0.000 0.451 442 A N 0.615 123.491 122.820 0.094 0.000 1.898 442 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 442 A C 2.418 180.020 177.584 0.029 0.000 1.181 442 A CA 1.663 53.748 52.037 0.079 0.000 0.620 442 A CB -1.008 18.086 19.000 0.156 0.000 0.819 442 A HN 0.455 nan 8.150 nan 0.000 0.442 443 G N -0.414 108.409 108.800 0.038 0.000 2.402 443 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 443 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 443 G C 1.440 176.323 174.900 -0.028 0.000 1.162 443 G CA 0.943 46.052 45.100 0.016 0.000 0.777 443 G HN 0.640 nan 8.290 nan 0.000 0.539 444 E N -0.206 119.973 120.200 -0.036 0.000 2.106 444 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 444 E C 2.578 179.098 176.600 -0.134 0.000 0.984 444 E CA 0.215 56.576 56.400 -0.064 0.000 0.806 444 E CB -0.101 29.576 29.700 -0.038 0.000 0.750 444 E HN 0.187 nan 8.360 nan 0.000 0.458 445 R N 1.252 121.635 120.500 -0.195 0.000 2.073 445 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 445 R C 2.108 178.224 176.300 -0.306 0.000 1.134 445 R CA 1.528 57.396 56.100 -0.386 0.000 0.952 445 R CB -0.365 29.527 30.300 -0.680 0.000 0.850 445 R HN 0.151 nan 8.270 nan 0.000 0.433 446 A N 0.748 123.462 122.820 -0.175 0.000 1.933 446 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 446 A C 2.411 179.881 177.584 -0.191 0.000 1.175 446 A CA 1.774 53.745 52.037 -0.110 0.000 0.628 446 A CB -0.681 18.318 19.000 -0.001 0.000 0.814 446 A HN 0.504 nan 8.150 nan 0.000 0.444 447 A N -0.101 122.624 122.820 -0.158 0.000 1.902 447 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 447 A C 2.245 179.704 177.584 -0.209 0.000 1.181 447 A CA 1.562 53.499 52.037 -0.166 0.000 0.623 447 A CB -0.454 18.484 19.000 -0.103 0.000 0.818 447 A HN 0.552 nan 8.150 nan 0.000 0.443 448 R N -0.483 119.900 120.500 -0.196 0.000 2.148 448 R HA -0.065 4.275 4.340 -0.000 0.000 0.223 448 R C 2.013 178.191 176.300 -0.202 0.000 1.088 448 R CA 1.170 57.163 56.100 -0.179 0.000 0.985 448 R CB -0.246 29.956 30.300 -0.163 0.000 0.880 448 R HN 0.674 nan 8.270 nan 0.000 0.451 449 E N 0.756 120.793 120.200 -0.271 0.000 2.085 449 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 449 E C 1.958 178.251 176.600 -0.512 0.000 0.994 449 E CA 1.183 57.408 56.400 -0.292 0.000 0.801 449 E CB -0.092 29.458 29.700 -0.250 0.000 0.743 449 E HN 0.331 nan 8.360 nan 0.000 0.453 450 I N 0.927 121.063 120.570 -0.724 0.000 2.202 450 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 450 I C 2.347 178.154 176.117 -0.517 0.000 1.091 450 I CA 0.862 61.648 61.300 -0.856 0.000 1.368 450 I CB -0.184 37.351 38.000 -0.775 0.000 1.058 450 I HN 0.112 nan 8.210 nan 0.000 0.410 451 L N -0.025 121.016 121.223 -0.304 0.000 2.042 451 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 451 L C 2.726 179.527 176.870 -0.116 0.000 1.076 451 L CA 1.690 56.427 54.840 -0.172 0.000 0.749 451 L CB -0.919 41.075 42.059 -0.109 0.000 0.893 451 L HN 0.371 nan 8.230 nan 0.000 0.432 452 H N 0.019 118.981 119.070 -0.180 0.000 2.357 452 H HA -0.095 4.461 4.556 -0.000 0.000 0.301 452 H C 2.118 177.388 175.328 -0.097 0.000 1.082 452 H CA 1.410 57.392 56.048 -0.109 0.000 1.342 452 H CB 0.085 29.801 29.762 -0.077 0.000 1.389 452 H HN 0.261 nan 8.280 nan 0.000 0.511 453 A N 0.411 123.077 122.820 -0.257 0.000 1.972 453 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 453 A C 2.240 179.734 177.584 -0.150 0.000 1.169 453 A CA 1.717 53.619 52.037 -0.226 0.000 0.635 453 A CB -0.570 18.273 19.000 -0.262 0.000 0.810 453 A HN 0.561 nan 8.150 nan 0.000 0.446 454 M N -1.414 118.084 119.600 -0.171 0.000 2.561 454 M HA 0.171 4.651 4.480 -0.000 0.000 0.238 454 M C 1.288 177.549 176.300 -0.065 0.000 1.131 454 M CA 0.738 56.007 55.300 -0.052 0.000 1.046 454 M CB 0.218 32.795 32.600 -0.038 0.000 1.532 454 M HN 0.602 nan 8.290 nan 0.000 0.497 455 G N 1.312 110.034 108.800 -0.130 0.000 2.147 455 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 455 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 455 G C 0.787 175.656 174.900 -0.053 0.000 1.005 455 G CA 0.464 45.501 45.100 -0.106 0.000 0.713 455 G HN 0.478 nan 8.290 nan 0.000 0.515 456 K N -0.586 119.786 120.400 -0.048 0.000 2.284 456 K HA 0.344 4.664 4.320 -0.000 0.000 0.198 456 K C 1.322 177.920 176.600 -0.004 0.000 1.048 456 K CA 1.225 57.497 56.287 -0.025 0.000 0.987 456 K CB 0.337 32.816 32.500 -0.035 0.000 0.800 456 K HN 0.796 nan 8.250 nan 0.000 0.486 457 I N -1.670 118.912 120.570 0.020 0.000 2.865 457 I HA 0.465 4.635 4.170 -0.000 0.000 0.302 457 I C -2.937 173.263 176.117 0.139 0.000 1.140 457 I CA -3.018 58.314 61.300 0.053 0.000 1.021 457 I CB 2.214 40.233 38.000 0.032 0.000 1.233 457 I HN -0.250 nan 8.210 nan 0.000 0.427 458 P HA 0.112 nan 4.420 nan 0.000 0.274 458 P C 0.220 177.574 177.300 0.090 0.000 1.246 458 P CA -0.026 63.162 63.100 0.146 0.000 0.795 458 P CB 1.067 32.812 31.700 0.074 0.000 1.006 459 E N 0.587 120.778 120.200 -0.015 0.000 2.118 459 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 459 E C 0.953 177.484 176.600 -0.115 0.000 0.992 459 E CA 1.710 57.916 56.400 -0.325 0.000 0.804 459 E CB -0.213 29.352 29.700 -0.225 0.000 0.741 459 E HN 0.513 nan 8.360 nan 0.000 0.458 460 D N -0.324 120.065 120.400 -0.019 0.000 2.378 460 D HA -0.130 4.510 4.640 -0.000 0.000 0.227 460 D C 0.936 177.262 176.300 0.043 0.000 1.012 460 D CA 0.631 54.646 54.000 0.025 0.000 0.905 460 D CB -0.148 40.668 40.800 0.027 0.000 0.895 460 D HN 0.273 nan 8.370 nan 0.000 0.532 461 E N -0.533 119.680 120.200 0.020 0.000 2.481 461 E HA 0.198 4.548 4.350 -0.000 0.000 0.198 461 E C 1.638 178.236 176.600 -0.005 0.000 1.027 461 E CA -0.239 56.173 56.400 0.020 0.000 0.900 461 E CB 0.250 29.959 29.700 0.015 0.000 0.993 461 E HN 0.347 nan 8.360 nan 0.000 0.482 462 I N -0.029 120.528 120.570 -0.022 0.000 2.202 462 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 462 I C 0.463 176.455 176.117 -0.208 0.000 1.091 462 I CA 1.106 62.328 61.300 -0.130 0.000 1.368 462 I CB 0.068 37.984 38.000 -0.141 0.000 1.058 462 I HN 0.094 nan 8.210 nan 0.000 0.410 463 W N 1.882 123.176 121.300 -0.009 0.000 2.349 463 W HA 0.475 5.135 4.660 -0.000 0.000 0.309 463 W C -0.294 176.229 176.519 0.007 0.000 1.083 463 W CA -0.283 57.068 57.345 0.010 0.000 1.224 463 W CB 0.591 30.059 29.460 0.013 0.000 1.256 463 W HN -0.039 nan 8.180 nan 0.000 0.461 464 Q N 2.113 122.025 119.800 0.186 0.000 2.337 464 Q HA 0.375 4.715 4.340 -0.000 0.000 0.270 464 Q C 0.089 176.160 176.000 0.119 0.000 1.043 464 Q CA -0.828 55.045 55.803 0.118 0.000 0.794 464 Q CB 2.327 31.100 28.738 0.058 0.000 1.281 464 Q HN 0.537 nan 8.270 nan 0.000 0.446 465 S N 1.183 116.938 115.700 0.092 0.000 2.589 465 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 465 S C -0.148 174.493 174.600 0.067 0.000 1.342 465 S CA -0.516 57.729 58.200 0.075 0.000 1.005 465 S CB 1.156 64.385 63.200 0.048 0.000 0.909 465 S HN 0.608 nan 8.310 nan 0.000 0.555 466 E N 0.931 121.171 120.200 0.068 0.000 2.199 466 E HA 0.571 4.921 4.350 -0.000 0.000 0.265 466 E C -2.797 173.833 176.600 0.049 0.000 0.882 466 E CA -2.119 54.318 56.400 0.061 0.000 0.759 466 E CB 0.993 30.740 29.700 0.079 0.000 1.148 466 E HN 0.539 nan 8.360 nan 0.000 0.412 467 P HA 0.069 nan 4.420 nan 0.000 0.269 467 P C -0.757 176.562 177.300 0.031 0.000 1.209 467 P CA -0.195 62.923 63.100 0.029 0.000 0.776 467 P CB 0.522 32.236 31.700 0.023 0.000 0.876 468 E N 1.431 121.647 120.200 0.027 0.000 2.384 468 E HA 0.093 4.443 4.350 -0.000 0.000 0.266 468 E C -0.102 176.510 176.600 0.020 0.000 1.012 468 E CA -0.312 56.104 56.400 0.026 0.000 0.901 468 E CB 0.430 30.143 29.700 0.022 0.000 0.967 468 E HN 0.383 nan 8.360 nan 0.000 0.435 469 S N 2.800 118.510 115.700 0.017 0.000 2.552 469 S HA -0.051 4.419 4.470 -0.000 0.000 0.289 469 S C 1.162 175.768 174.600 0.010 0.000 1.304 469 S CA -0.074 58.133 58.200 0.012 0.000 1.063 469 S CB 0.817 64.020 63.200 0.004 0.000 0.848 469 S HN 0.521 nan 8.310 nan 0.000 0.499 470 V N 1.818 121.739 119.914 0.012 0.000 2.951 470 V HA 0.086 4.206 4.120 -0.000 0.000 0.255 470 V C 1.401 177.500 176.094 0.009 0.000 1.088 470 V CA 1.385 63.691 62.300 0.010 0.000 1.109 470 V CB -0.520 31.310 31.823 0.012 0.000 0.724 470 V HN 0.805 nan 8.190 nan 0.000 0.471 471 D N 0.991 121.397 120.400 0.010 0.000 2.271 471 D HA 0.111 4.751 4.640 -0.000 0.000 0.206 471 D C 0.755 177.054 176.300 -0.002 0.000 0.967 471 D CA 1.008 55.014 54.000 0.009 0.000 0.867 471 D CB 0.863 41.673 40.800 0.017 0.000 0.960 471 D HN 0.505 nan 8.370 nan 0.000 0.509 472 V N 3.939 123.847 119.914 -0.009 0.000 2.313 472 V HA 0.199 4.319 4.120 -0.000 0.000 0.262 472 V C -2.350 173.733 176.094 -0.018 0.000 1.011 472 V CA -1.328 60.957 62.300 -0.025 0.000 0.858 472 V CB 1.234 33.026 31.823 -0.052 0.000 1.104 472 V HN -0.049 nan 8.190 nan 0.000 0.456 473 P HA 0.329 nan 4.420 nan 0.000 0.271 473 P C -0.423 176.875 177.300 -0.003 0.000 1.218 473 P CA 0.044 63.143 63.100 -0.002 0.000 0.780 473 P CB 1.503 33.203 31.700 0.000 0.000 0.901 474 A N 3.196 126.019 122.820 0.005 0.000 2.258 474 A HA 0.307 4.627 4.320 -0.000 0.000 0.316 474 A C 0.269 177.858 177.584 0.008 0.000 1.279 474 A CA -0.583 51.460 52.037 0.010 0.000 0.876 474 A CB 0.290 19.306 19.000 0.027 0.000 1.170 474 A HN 0.434 nan 8.150 nan 0.000 0.520 475 Q N 2.862 122.665 119.800 0.005 0.000 2.327 475 Q HA 0.305 4.644 4.340 -0.000 0.000 0.254 475 Q C -2.245 173.757 176.000 0.004 0.000 0.952 475 Q CA -1.599 54.206 55.803 0.003 0.000 0.884 475 Q CB 0.738 29.477 28.738 0.001 0.000 1.224 475 Q HN 0.561 nan 8.270 nan 0.000 0.422 476 P HA 0.163 nan 4.420 nan 0.000 0.272 476 P C -0.311 176.985 177.300 -0.007 0.000 1.223 476 P CA -0.340 62.757 63.100 -0.004 0.000 0.784 476 P CB 0.730 32.426 31.700 -0.007 0.000 0.923 477 I N 2.116 122.678 120.570 -0.014 0.000 2.396 477 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 477 I C 1.237 177.342 176.117 -0.020 0.000 1.056 477 I CA 0.259 61.549 61.300 -0.017 0.000 1.365 477 I CB 0.023 38.006 38.000 -0.029 0.000 1.407 477 I HN 0.425 nan 8.210 nan 0.000 0.509 478 T N 2.127 116.673 114.554 -0.014 0.000 2.932 478 T HA 0.831 5.181 4.350 -0.000 0.000 0.289 478 T C -0.038 174.649 174.700 -0.021 0.000 1.039 478 T CA -0.674 61.418 62.100 -0.014 0.000 1.024 478 T CB 2.259 71.126 68.868 -0.002 0.000 1.090 478 T HN 0.646 nan 8.240 nan 0.000 0.496 479 T N -1.303 113.235 114.554 -0.027 0.000 2.906 479 T HA 0.734 5.084 4.350 -0.000 0.000 0.295 479 T C 0.211 174.904 174.700 -0.011 0.000 1.075 479 T CA -0.710 61.366 62.100 -0.041 0.000 1.005 479 T CB 1.341 70.159 68.868 -0.083 0.000 1.136 479 T HN 1.034 nan 8.240 nan 0.000 0.498 480 T N -0.591 113.961 114.554 -0.004 0.000 2.902 480 T HA 0.434 4.784 4.350 -0.000 0.000 0.280 480 T C 0.834 175.580 174.700 0.076 0.000 0.992 480 T CA -0.848 61.285 62.100 0.054 0.000 1.015 480 T CB 0.687 69.592 68.868 0.062 0.000 1.044 480 T HN 0.518 nan 8.240 nan 0.000 0.520 481 F N 0.750 120.713 119.950 0.022 0.000 2.095 481 F HA -0.025 4.502 4.527 0.000 0.000 0.298 481 F C 1.955 177.812 175.800 0.095 0.000 1.104 481 F CA 1.478 59.532 58.000 0.088 0.000 1.232 481 F CB -0.473 38.589 39.000 0.104 0.000 0.987 481 F HN 0.505 nan 8.300 nan 0.000 0.475 482 L N -0.173 121.159 121.223 0.181 0.000 2.056 482 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 482 L C 2.372 179.235 176.870 -0.012 0.000 1.078 482 L CA 1.613 56.509 54.840 0.094 0.000 0.749 482 L CB -0.759 41.382 42.059 0.137 0.000 0.901 482 L HN 0.160 nan 8.230 nan 0.000 0.433 483 E N -0.134 120.048 120.200 -0.030 0.000 2.118 483 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 483 E C 2.359 178.839 176.600 -0.201 0.000 0.992 483 E CA 1.044 57.386 56.400 -0.095 0.000 0.804 483 E CB 0.001 29.642 29.700 -0.099 0.000 0.741 483 E HN 0.385 nan 8.360 nan 0.000 0.458 484 R N -0.427 119.884 120.500 -0.316 0.000 2.090 484 R HA -0.049 4.291 4.340 -0.000 0.000 0.228 484 R C 1.710 177.610 176.300 -0.667 0.000 1.110 484 R CA 1.011 56.781 56.100 -0.549 0.000 0.973 484 R CB 0.051 29.884 30.300 -0.779 0.000 0.869 484 R HN 0.309 nan 8.270 nan 0.000 0.440 485 H N -0.885 117.991 119.070 -0.324 0.000 2.874 485 H HA 0.208 4.764 4.556 -0.000 0.000 0.264 485 H C 0.386 175.605 175.328 -0.183 0.000 1.007 485 H CA -0.184 55.674 56.048 -0.317 0.000 1.207 485 H CB 0.476 29.898 29.762 -0.568 0.000 1.487 485 H HN 0.018 nan 8.280 nan 0.000 0.505 486 L N 4.477 125.673 121.223 -0.045 0.000 2.490 486 L HA 0.065 4.405 4.340 -0.000 0.000 0.274 486 L C -1.618 175.231 176.870 -0.035 0.000 1.201 486 L CA -1.424 53.413 54.840 -0.005 0.000 0.869 486 L CB 0.332 42.420 42.059 0.049 0.000 1.123 486 L HN -0.012 nan 8.230 nan 0.000 0.484 487 P HA 0.098 nan 4.420 nan 0.000 0.274 487 P C -0.583 176.667 177.300 -0.084 0.000 1.237 487 P CA -0.555 62.510 63.100 -0.059 0.000 0.793 487 P CB 0.937 32.602 31.700 -0.057 0.000 0.977 488 S N 0.174 115.805 115.700 -0.116 0.000 2.617 488 S HA 0.091 4.561 4.470 -0.000 0.000 0.259 488 S C 1.512 175.974 174.600 -0.229 0.000 1.301 488 S CA -0.563 57.542 58.200 -0.158 0.000 0.984 488 S CB -0.303 62.799 63.200 -0.164 0.000 0.954 488 S HN 0.220 nan 8.310 nan 0.000 0.572 489 V N 2.318 122.032 119.914 -0.333 0.000 2.261 489 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 489 V C -0.423 175.266 176.094 -0.674 0.000 1.047 489 V CA 1.938 63.960 62.300 -0.464 0.000 1.015 489 V CB -1.926 29.613 31.823 -0.474 0.000 0.642 489 V HN 0.807 nan 8.190 nan 0.000 0.446 490 P HA -0.100 nan 4.420 nan 0.000 0.220 490 P C 1.746 178.839 177.300 -0.346 0.000 1.148 490 P CA 1.922 64.563 63.100 -0.765 0.000 0.803 490 P CB -0.280 31.055 31.700 -0.608 0.000 0.782 491 G N 0.725 109.365 108.800 -0.267 0.000 2.418 491 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 491 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 491 G C 1.521 176.341 174.900 -0.133 0.000 1.158 491 G CA 0.604 45.611 45.100 -0.154 0.000 0.771 491 G HN 0.247 nan 8.290 nan 0.000 0.545 492 L N 0.350 121.480 121.223 -0.155 0.000 2.046 492 L HA 0.129 4.469 4.340 -0.000 0.000 0.208 492 L C 2.690 179.497 176.870 -0.106 0.000 1.077 492 L CA 1.280 56.053 54.840 -0.111 0.000 0.747 492 L CB -0.311 41.686 42.059 -0.103 0.000 0.896 492 L HN 0.204 nan 8.230 nan 0.000 0.432 493 L N -1.068 120.062 121.223 -0.156 0.000 2.093 493 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 493 L C 2.764 179.589 176.870 -0.075 0.000 1.085 493 L CA 1.030 55.800 54.840 -0.117 0.000 0.755 493 L CB -0.533 41.428 42.059 -0.164 0.000 0.904 493 L HN 0.218 nan 8.230 nan 0.000 0.435 494 R N -0.307 120.143 120.500 -0.084 0.000 2.096 494 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 494 R C 2.238 178.516 176.300 -0.037 0.000 1.127 494 R CA 1.215 57.286 56.100 -0.049 0.000 0.968 494 R CB -0.418 29.852 30.300 -0.049 0.000 0.861 494 R HN 0.208 nan 8.270 nan 0.000 0.440 495 L N 0.861 122.058 121.223 -0.044 0.000 2.093 495 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 495 L C 2.036 178.893 176.870 -0.023 0.000 1.085 495 L CA 1.460 56.281 54.840 -0.031 0.000 0.755 495 L CB -0.130 41.909 42.059 -0.033 0.000 0.904 495 L HN 0.107 nan 8.230 nan 0.000 0.435 496 I N -1.247 119.306 120.570 -0.027 0.000 2.202 496 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 496 I C 2.460 178.570 176.117 -0.011 0.000 1.091 496 I CA 1.283 62.573 61.300 -0.017 0.000 1.368 496 I CB -1.071 36.918 38.000 -0.018 0.000 1.058 496 I HN 0.338 nan 8.210 nan 0.000 0.410 497 G N 0.897 109.690 108.800 -0.012 0.000 2.450 497 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 497 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 497 G C 1.660 176.558 174.900 -0.004 0.000 1.130 497 G CA 0.663 45.760 45.100 -0.005 0.000 0.760 497 G HN 0.225 nan 8.290 nan 0.000 0.557 498 L N 0.599 121.818 121.223 -0.007 0.000 2.072 498 L HA 0.073 4.413 4.340 -0.000 0.000 0.205 498 L C 3.011 179.879 176.870 -0.004 0.000 1.079 498 L CA 2.228 57.064 54.840 -0.005 0.000 0.752 498 L CB -0.604 41.450 42.059 -0.008 0.000 0.906 498 L HN 0.168 nan 8.230 nan 0.000 0.436 499 T N -1.681 112.870 114.554 -0.005 0.000 2.857 499 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 499 T C 0.959 175.658 174.700 -0.001 0.000 1.048 499 T CA 1.483 63.581 62.100 -0.003 0.000 1.139 499 T CB -0.404 68.462 68.868 -0.004 0.000 0.874 499 T HN 0.313 nan 8.240 nan 0.000 0.455 500 T N 2.383 116.936 114.554 -0.001 0.000 4.058 500 T HA 0.625 4.975 4.350 -0.000 0.000 0.252 500 T C 0.058 174.760 174.700 0.002 0.000 1.264 500 T CA -0.117 61.984 62.100 0.001 0.000 1.094 500 T CB -1.239 67.630 68.868 0.002 0.000 1.316 500 T HN 0.437 nan 8.240 nan 0.000 0.872 501 I N 0.000 120.571 120.570 0.002 0.000 2.984 501 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 501 I CA 0.000 61.301 61.300 0.002 0.000 1.566 501 I CB 0.000 38.001 38.000 0.002 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494