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 2xcg_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 0.000 175.499 175.510 -0.019 0.000 1.280 3 N CA 0.000 52.954 53.050 -0.160 0.000 0.885 3 N CB 0.000 38.292 38.487 -0.325 0.000 1.341 4 K N 1.062 121.473 120.400 0.019 0.000 2.182 4 K HA 0.889 5.209 4.320 0.000 0.000 0.262 4 K C -0.528 176.110 176.600 0.065 0.000 0.957 4 K CA -0.705 55.606 56.287 0.040 0.000 0.842 4 K CB 1.124 33.634 32.500 0.016 0.000 1.099 4 K HN 0.756 nan 8.250 nan 0.000 0.438 5 C N -1.276 118.066 119.300 0.070 0.000 3.314 5 C HA 0.412 4.872 4.460 0.000 0.000 0.344 5 C C 0.513 175.539 174.990 0.060 0.000 1.461 5 C CA -0.793 58.267 59.018 0.070 0.000 1.249 5 C CB 0.878 28.672 27.740 0.090 0.000 1.632 5 C HN 0.796 nan 8.230 nan 0.000 0.452 6 D N 0.217 120.655 120.400 0.064 0.000 2.120 6 D HA 0.140 4.780 4.640 0.000 0.000 0.202 6 D C 0.325 176.689 176.300 0.107 0.000 0.972 6 D CA 1.679 55.727 54.000 0.079 0.000 0.837 6 D CB 0.278 41.123 40.800 0.075 0.000 0.989 6 D HN 0.491 nan 8.370 nan 0.000 0.469 7 V N 1.285 121.252 119.914 0.088 0.000 2.668 7 V HA 0.240 4.360 4.120 0.000 0.000 0.304 7 V C -0.236 175.887 176.094 0.049 0.000 1.071 7 V CA -0.841 61.513 62.300 0.089 0.000 0.894 7 V CB 2.843 34.709 31.823 0.071 0.000 1.008 7 V HN -0.257 nan 8.190 nan 0.000 0.425 8 V N 5.242 125.180 119.914 0.039 0.000 2.407 8 V HA 0.398 4.518 4.120 0.000 0.000 0.278 8 V C -0.048 176.037 176.094 -0.015 0.000 1.037 8 V CA -0.395 61.898 62.300 -0.012 0.000 0.900 8 V CB 1.866 33.676 31.823 -0.021 0.000 0.983 8 V HN 0.635 nan 8.190 nan 0.000 0.459 9 V N 6.343 126.233 119.914 -0.040 0.000 2.370 9 V HA 0.311 4.431 4.120 0.000 0.000 0.279 9 V C 0.023 176.088 176.094 -0.048 0.000 1.029 9 V CA -0.545 61.737 62.300 -0.030 0.000 0.870 9 V CB 1.722 33.530 31.823 -0.025 0.000 0.984 9 V HN 0.600 nan 8.190 nan 0.000 0.451 10 V N 4.741 124.640 119.914 -0.025 0.000 2.368 10 V HA 0.795 4.915 4.120 0.000 0.000 0.266 10 V C 0.690 176.783 176.094 -0.001 0.000 1.045 10 V CA 0.443 62.728 62.300 -0.025 0.000 0.899 10 V CB 0.412 32.238 31.823 0.006 0.000 1.006 10 V HN 1.260 nan 8.190 nan 0.000 0.470 11 G N 3.639 112.425 108.800 -0.025 0.000 3.233 11 G HA2 0.199 4.159 3.960 0.000 0.000 0.686 11 G HA3 0.199 4.159 3.960 0.000 0.000 0.686 11 G C 0.052 174.948 174.900 -0.006 0.000 1.153 11 G CA -0.505 44.593 45.100 -0.004 0.000 0.853 11 G HN 1.206 nan 8.290 nan 0.000 0.582 12 G N 0.770 109.564 108.800 -0.011 0.000 4.291 12 G HA2 0.688 4.648 3.960 0.000 0.000 0.304 12 G HA3 0.688 4.648 3.960 0.000 0.000 0.304 12 G C 0.851 175.761 174.900 0.017 0.000 1.264 12 G CA 0.920 46.016 45.100 -0.008 0.000 1.039 12 G HN 1.292 nan 8.290 nan 0.000 0.578 13 G N -0.136 108.686 108.800 0.036 0.000 2.563 13 G HA2 0.359 4.319 3.960 0.000 0.000 0.283 13 G HA3 0.359 4.319 3.960 0.000 0.000 0.283 13 G C 1.227 176.149 174.900 0.038 0.000 1.309 13 G CA -0.775 44.356 45.100 0.051 0.000 1.022 13 G HN 0.138 nan 8.290 nan 0.000 0.501 14 I N -0.508 120.087 120.570 0.041 0.000 2.194 14 I HA -0.256 3.914 4.170 0.000 0.000 0.246 14 I C 3.038 179.176 176.117 0.034 0.000 1.093 14 I CA 1.794 63.111 61.300 0.029 0.000 1.355 14 I CB -0.149 37.871 38.000 0.034 0.000 1.046 14 I HN 0.477 nan 8.210 nan 0.000 0.413 15 S N 0.434 116.166 115.700 0.055 0.000 2.348 15 S HA -0.140 4.330 4.470 0.000 0.000 0.221 15 S C 2.082 176.706 174.600 0.040 0.000 1.033 15 S CA 1.678 59.913 58.200 0.059 0.000 1.010 15 S CB -0.616 62.637 63.200 0.089 0.000 0.891 15 S HN 0.592 nan 8.310 nan 0.000 0.442 16 G N 1.311 110.133 108.800 0.037 0.000 2.408 16 G HA2 -0.141 3.819 3.960 0.000 0.000 0.217 16 G HA3 -0.141 3.819 3.960 0.000 0.000 0.217 16 G C 1.439 176.339 174.900 0.001 0.000 1.150 16 G CA 0.850 45.962 45.100 0.019 0.000 0.776 16 G HN 0.390 nan 8.290 nan 0.000 0.542 17 M N 1.283 120.883 119.600 -0.001 0.000 2.117 17 M HA 0.075 4.555 4.480 0.000 0.000 0.262 17 M C 3.005 179.296 176.300 -0.015 0.000 1.065 17 M CA 1.241 56.531 55.300 -0.016 0.000 1.114 17 M CB -1.344 31.244 32.600 -0.020 0.000 1.361 17 M HN 0.305 nan 8.290 nan 0.000 0.408 18 A N 0.305 123.121 122.820 -0.005 0.000 1.933 18 A HA 0.001 4.321 4.320 0.000 0.000 0.218 18 A C 2.461 180.041 177.584 -0.006 0.000 1.175 18 A CA 2.146 54.180 52.037 -0.005 0.000 0.628 18 A CB -0.882 18.120 19.000 0.004 0.000 0.814 18 A HN 0.476 nan 8.150 nan 0.000 0.444 19 A N -0.140 122.677 122.820 -0.006 0.000 1.873 19 A HA 0.181 4.501 4.320 0.000 0.000 0.215 19 A C 2.524 180.101 177.584 -0.011 0.000 1.186 19 A CA 2.081 54.109 52.037 -0.015 0.000 0.616 19 A CB -1.067 17.926 19.000 -0.013 0.000 0.823 19 A HN 1.060 nan 8.150 nan 0.000 0.442 20 A N -0.211 122.605 122.820 -0.008 0.000 1.933 20 A HA -0.167 4.153 4.320 0.000 0.000 0.218 20 A C 2.129 179.727 177.584 0.022 0.000 1.175 20 A CA 2.049 54.086 52.037 -0.001 0.000 0.628 20 A CB -0.465 18.522 19.000 -0.022 0.000 0.814 20 A HN 0.579 nan 8.150 nan 0.000 0.444 21 K N -0.386 120.019 120.400 0.008 0.000 2.026 21 K HA -0.109 4.211 4.320 0.000 0.000 0.208 21 K C 1.988 178.624 176.600 0.060 0.000 1.048 21 K CA 1.538 57.844 56.287 0.032 0.000 0.929 21 K CB -0.329 32.173 32.500 0.005 0.000 0.713 21 K HN 0.448 nan 8.250 nan 0.000 0.439 22 L N 1.135 122.371 121.223 0.022 0.000 2.012 22 L HA -0.203 4.137 4.340 0.000 0.000 0.210 22 L C 2.228 179.103 176.870 0.008 0.000 1.073 22 L CA 1.286 56.130 54.840 0.006 0.000 0.748 22 L CB -0.213 41.834 42.059 -0.020 0.000 0.891 22 L HN 0.272 nan 8.230 nan 0.000 0.431 23 L N -0.958 120.270 121.223 0.009 0.000 2.012 23 L HA -0.301 4.040 4.340 0.000 0.000 0.210 23 L C 2.626 179.516 176.870 0.034 0.000 1.073 23 L CA 1.688 56.530 54.840 0.005 0.000 0.748 23 L CB -0.871 41.190 42.059 0.002 0.000 0.891 23 L HN 0.438 nan 8.230 nan 0.000 0.431 24 H N 0.246 119.303 119.070 -0.022 0.000 2.319 24 H HA -0.199 4.357 4.556 0.000 0.000 0.299 24 H C 1.807 177.126 175.328 -0.015 0.000 1.092 24 H CA 2.080 58.119 56.048 -0.015 0.000 1.302 24 H CB 0.001 29.755 29.762 -0.014 0.000 1.373 24 H HN 0.236 nan 8.280 nan 0.000 0.497 25 D N -0.607 119.791 120.400 -0.005 0.000 2.218 25 D HA -0.085 4.555 4.640 0.000 0.000 0.204 25 D C 1.831 178.083 176.300 -0.080 0.000 0.976 25 D CA 1.123 55.089 54.000 -0.057 0.000 0.853 25 D CB -0.208 40.598 40.800 0.010 0.000 0.939 25 D HN 0.317 nan 8.370 nan 0.000 0.481 26 S N -1.094 114.568 115.700 -0.063 0.000 2.603 26 S HA 0.240 4.710 4.470 0.000 0.000 0.220 26 S C 1.568 176.125 174.600 -0.071 0.000 0.967 26 S CA 0.602 58.767 58.200 -0.057 0.000 0.920 26 S CB 0.552 63.725 63.200 -0.045 0.000 0.773 26 S HN 0.455 nan 8.310 nan 0.000 0.529 27 G N 0.933 109.666 108.800 -0.111 0.000 2.159 27 G HA2 -0.190 3.770 3.960 0.000 0.000 0.227 27 G HA3 -0.190 3.770 3.960 0.000 0.000 0.227 27 G C -0.031 174.825 174.900 -0.073 0.000 0.986 27 G CA -0.295 44.740 45.100 -0.110 0.000 0.651 27 G HN 0.421 nan 8.290 nan 0.000 0.523 28 L N 0.484 121.678 121.223 -0.049 0.000 2.399 28 L HA 0.436 4.776 4.340 0.000 0.000 0.266 28 L C 0.096 176.981 176.870 0.025 0.000 1.114 28 L CA -1.067 53.769 54.840 -0.006 0.000 0.804 28 L CB 0.647 42.709 42.059 0.006 0.000 1.146 28 L HN -0.010 nan 8.230 nan 0.000 0.451 29 N N 2.046 120.771 118.700 0.042 0.000 2.406 29 N HA 0.271 5.011 4.740 0.000 0.000 0.251 29 N C -0.612 174.941 175.510 0.072 0.000 1.069 29 N CA -0.098 52.992 53.050 0.067 0.000 0.947 29 N CB 1.522 40.042 38.487 0.055 0.000 1.111 29 N HN 0.372 nan 8.380 nan 0.000 0.497 30 V N 0.173 120.139 119.914 0.087 0.000 2.815 30 V HA 0.733 4.853 4.120 0.000 0.000 0.314 30 V C -0.055 176.059 176.094 0.033 0.000 1.064 30 V CA -0.716 61.617 62.300 0.056 0.000 0.952 30 V CB 1.962 33.814 31.823 0.048 0.000 1.020 30 V HN 0.151 nan 8.190 nan 0.000 0.439 31 V N 3.519 123.434 119.914 0.003 0.000 2.656 31 V HA 0.550 4.670 4.120 0.000 0.000 0.307 31 V C -0.345 175.693 176.094 -0.094 0.000 1.051 31 V CA -0.549 61.724 62.300 -0.045 0.000 0.893 31 V CB 2.126 33.916 31.823 -0.055 0.000 0.999 31 V HN 0.839 nan 8.190 nan 0.000 0.426 32 V N 5.972 125.822 119.914 -0.107 0.000 2.370 32 V HA 0.447 4.567 4.120 0.000 0.000 0.283 32 V C -0.228 175.766 176.094 -0.165 0.000 1.023 32 V CA -0.435 61.797 62.300 -0.113 0.000 0.857 32 V CB 1.454 33.231 31.823 -0.077 0.000 0.985 32 V HN 0.604 nan 8.190 nan 0.000 0.443 33 L N 4.642 125.749 121.223 -0.193 0.000 2.262 33 L HA 0.592 4.932 4.340 0.000 0.000 0.288 33 L C -0.134 176.646 176.870 -0.150 0.000 1.035 33 L CA -0.332 54.375 54.840 -0.222 0.000 0.820 33 L CB 1.340 43.225 42.059 -0.289 0.000 1.204 33 L HN 0.625 nan 8.230 nan 0.000 0.424 34 E N 2.413 122.531 120.200 -0.136 0.000 2.176 34 E HA 0.481 4.831 4.350 0.000 0.000 0.267 34 E C 0.388 176.879 176.600 -0.182 0.000 0.893 34 E CA -0.311 56.011 56.400 -0.130 0.000 0.761 34 E CB 2.047 31.694 29.700 -0.087 0.000 1.133 34 E HN 0.549 nan 8.360 nan 0.000 0.409 35 A N 5.451 128.097 122.820 -0.289 0.000 1.908 35 A HA -0.075 4.245 4.320 0.000 0.000 0.218 35 A C 1.109 178.468 177.584 -0.375 0.000 1.181 35 A CA 1.108 52.839 52.037 -0.510 0.000 0.627 35 A CB -0.219 18.060 19.000 -1.203 0.000 0.818 35 A HN 0.610 nan 8.150 nan 0.000 0.445 36 R N -0.202 120.155 120.500 -0.239 0.000 2.546 36 R HA 0.233 4.573 4.340 0.000 0.000 0.266 36 R C 0.185 176.444 176.300 -0.068 0.000 1.086 36 R CA 0.132 56.167 56.100 -0.108 0.000 1.160 36 R CB 0.201 30.474 30.300 -0.045 0.000 1.138 36 R HN 0.469 nan 8.270 nan 0.000 0.567 37 D N 0.680 121.057 120.400 -0.038 0.000 2.332 37 D HA -0.053 4.587 4.640 0.000 0.000 0.244 37 D C -0.164 176.131 176.300 -0.007 0.000 1.136 37 D CA 0.177 54.165 54.000 -0.021 0.000 0.884 37 D CB -0.065 40.728 40.800 -0.010 0.000 0.906 37 D HN 0.436 nan 8.370 nan 0.000 0.520 38 R N -1.448 119.048 120.500 -0.006 0.000 2.710 38 R HA 0.553 4.893 4.340 0.000 0.000 0.270 38 R C -0.729 175.584 176.300 0.021 0.000 1.021 38 R CA -1.095 55.019 56.100 0.023 0.000 0.889 38 R CB 1.079 31.411 30.300 0.054 0.000 1.243 38 R HN -0.095 nan 8.270 nan 0.000 0.464 39 V N -1.421 118.513 119.914 0.035 0.000 3.262 39 V HA 0.856 4.976 4.120 0.000 0.000 0.313 39 V C 0.970 177.110 176.094 0.077 0.000 1.070 39 V CA 0.465 62.786 62.300 0.035 0.000 1.049 39 V CB 0.793 32.623 31.823 0.012 0.000 1.157 39 V HN 1.209 nan 8.190 nan 0.000 0.454 40 G N -0.901 107.944 108.800 0.075 0.000 2.339 40 G HA2 0.124 4.084 3.960 0.000 0.000 0.209 40 G HA3 0.124 4.084 3.960 0.000 0.000 0.209 40 G C 1.635 176.615 174.900 0.134 0.000 1.015 40 G CA 0.775 45.939 45.100 0.107 0.000 0.635 40 G HN 2.611 nan 8.290 nan 0.000 0.499 41 G N 0.603 109.494 108.800 0.151 0.000 2.646 41 G HA2 -0.422 3.538 3.960 0.000 0.000 0.324 41 G HA3 -0.422 3.538 3.960 0.000 0.000 0.324 41 G C 1.004 176.059 174.900 0.258 0.000 1.195 41 G CA 1.557 46.766 45.100 0.181 0.000 0.976 41 G HN 1.187 nan 8.290 nan 0.000 0.546 42 R N 1.835 122.398 120.500 0.104 0.000 2.323 42 R HA 0.200 4.540 4.340 0.000 0.000 0.198 42 R C 1.170 177.366 176.300 -0.172 0.000 0.988 42 R CA 1.077 57.063 56.100 -0.191 0.000 1.041 42 R CB -0.192 29.965 30.300 -0.239 0.000 0.926 42 R HN 0.711 nan 8.270 nan 0.000 0.476 43 T N -2.339 112.261 114.554 0.076 0.000 2.867 43 T HA 0.342 4.692 4.350 0.000 0.000 0.282 43 T C -0.903 174.020 174.700 0.371 0.000 1.000 43 T CA -0.593 61.602 62.100 0.158 0.000 1.042 43 T CB 1.517 70.445 68.868 0.099 0.000 0.973 43 T HN 0.113 nan 8.240 nan 0.000 0.465 44 Y N 1.227 121.672 120.300 0.241 0.000 2.313 44 Y HA 0.400 4.951 4.550 0.000 0.000 0.320 44 Y C -1.173 174.841 175.900 0.189 0.000 1.171 44 Y CA -0.836 57.408 58.100 0.240 0.000 1.093 44 Y CB 1.451 40.112 38.460 0.335 0.000 1.224 44 Y HN 0.875 nan 8.280 nan 0.000 0.421 45 T N 7.812 122.193 114.554 -0.290 0.000 2.753 45 T HA 0.373 4.723 4.350 0.000 0.000 0.297 45 T C -0.688 173.672 174.700 -0.567 0.000 0.981 45 T CA -0.382 61.544 62.100 -0.290 0.000 0.956 45 T CB 0.416 69.226 68.868 -0.096 0.000 0.936 45 T HN 0.577 nan 8.240 nan 0.000 0.463 46 L N 4.587 125.482 121.223 -0.546 0.000 2.349 46 L HA 0.578 4.918 4.340 0.000 0.000 0.275 46 L C -0.172 176.622 176.870 -0.127 0.000 1.115 46 L CA 0.074 54.688 54.840 -0.376 0.000 0.820 46 L CB 0.355 42.290 42.059 -0.207 0.000 1.135 46 L HN 0.458 nan 8.230 nan 0.000 0.445 47 R N 3.531 123.987 120.500 -0.073 0.000 2.534 47 R HA 0.640 4.980 4.340 0.000 0.000 0.301 47 R C -1.121 175.162 176.300 -0.027 0.000 0.961 47 R CA -0.586 55.498 56.100 -0.027 0.000 0.871 47 R CB 1.405 31.701 30.300 -0.007 0.000 1.170 47 R HN 0.901 nan 8.270 nan 0.000 0.446 48 N N -0.794 117.875 118.700 -0.051 0.000 3.020 48 N HA 0.089 4.829 4.740 0.000 0.000 0.248 48 N C -0.149 175.309 175.510 -0.086 0.000 1.480 48 N CA -0.848 52.169 53.050 -0.055 0.000 0.874 48 N CB 0.724 39.183 38.487 -0.046 0.000 1.433 48 N HN 0.135 nan 8.380 nan 0.000 0.530 49 Q N -0.220 119.536 119.800 -0.074 0.000 2.224 49 Q HA 0.052 4.392 4.340 0.000 0.000 0.203 49 Q C 0.669 176.626 176.000 -0.072 0.000 0.970 49 Q CA 1.136 56.906 55.803 -0.054 0.000 0.865 49 Q CB -0.085 28.631 28.738 -0.036 0.000 0.922 49 Q HN 0.535 nan 8.270 nan 0.000 0.445 50 K N 0.319 120.589 120.400 -0.216 0.000 2.155 50 K HA -0.036 4.284 4.320 0.000 0.000 0.203 50 K C 2.011 178.416 176.600 -0.325 0.000 1.052 50 K CA 1.073 57.132 56.287 -0.379 0.000 0.948 50 K CB 0.070 32.006 32.500 -0.939 0.000 0.728 50 K HN 0.272 nan 8.250 nan 0.000 0.448 51 V N -2.820 116.879 119.914 -0.359 0.000 3.645 51 V HA 0.231 4.351 4.120 0.000 0.000 0.275 51 V C 1.422 177.138 176.094 -0.630 0.000 1.356 51 V CA 0.691 62.733 62.300 -0.431 0.000 1.051 51 V CB 0.188 31.798 31.823 -0.355 0.000 0.828 51 V HN 0.265 nan 8.190 nan 0.000 0.441 52 K N 0.467 120.578 120.400 -0.483 0.000 10.883 52 K HA -0.304 4.016 4.320 0.000 0.000 0.526 52 K C 0.168 176.671 176.600 -0.162 0.000 0.382 52 K CA 2.515 58.557 56.287 -0.409 0.000 1.943 52 K CB -1.444 30.612 32.500 -0.740 0.000 0.766 52 K HN 0.943 nan 8.250 nan 0.000 1.214 53 Y N -2.177 117.978 120.300 -0.241 0.000 2.597 53 Y HA 0.745 5.295 4.550 0.000 0.000 0.340 53 Y C -1.200 174.654 175.900 -0.077 0.000 1.097 53 Y CA -0.709 57.308 58.100 -0.137 0.000 1.037 53 Y CB 2.042 40.440 38.460 -0.104 0.000 1.305 53 Y HN 0.024 nan 8.280 nan 0.000 0.463 54 V N 1.915 121.899 119.914 0.117 0.000 2.852 54 V HA 0.313 4.433 4.120 0.000 0.000 0.300 54 V C -1.719 174.431 176.094 0.093 0.000 1.205 54 V CA -0.662 61.701 62.300 0.105 0.000 0.940 54 V CB 1.919 33.816 31.823 0.124 0.000 1.047 54 V HN 0.925 nan 8.190 nan 0.000 0.429 55 D N 5.563 126.032 120.400 0.115 0.000 2.339 55 D HA 0.304 4.944 4.640 0.000 0.000 0.256 55 D C 0.862 177.240 176.300 0.130 0.000 1.214 55 D CA 0.228 54.280 54.000 0.088 0.000 0.877 55 D CB 1.833 42.661 40.800 0.047 0.000 1.111 55 D HN 0.530 nan 8.370 nan 0.000 0.478 56 L N 1.487 122.836 121.223 0.210 0.000 2.554 56 L HA 0.219 4.559 4.340 0.000 0.000 0.225 56 L C 1.535 178.805 176.870 0.666 0.000 1.104 56 L CA 0.051 55.116 54.840 0.376 0.000 0.866 56 L CB 0.332 42.616 42.059 0.375 0.000 1.047 56 L HN 0.325 nan 8.230 nan 0.000 0.468 57 G N -0.632 108.495 108.800 0.544 0.000 3.099 57 G HA2 0.433 4.393 3.960 0.000 0.000 0.151 57 G HA3 0.433 4.393 3.960 0.000 0.000 0.151 57 G C -0.129 174.796 174.900 0.042 0.000 1.265 57 G CA -0.054 45.174 45.100 0.214 0.000 0.981 57 G HN 0.095 nan 8.290 nan 0.000 0.601 58 G N -0.933 107.814 108.800 -0.089 0.000 2.414 58 G HA2 0.366 4.326 3.960 0.000 0.000 0.236 58 G HA3 0.366 4.326 3.960 0.000 0.000 0.236 58 G C 0.549 175.418 174.900 -0.053 0.000 1.293 58 G CA 0.912 45.964 45.100 -0.079 0.000 0.869 58 G HN 0.875 nan 8.290 nan 0.000 0.556 59 S N 1.003 116.612 115.700 -0.151 0.000 3.330 59 S HA 0.185 4.655 4.470 0.000 0.000 0.259 59 S C 0.067 174.413 174.600 -0.423 0.000 1.095 59 S CA -0.332 57.681 58.200 -0.312 0.000 0.841 59 S CB -0.039 62.823 63.200 -0.563 0.000 0.890 59 S HN 0.486 nan 8.310 nan 0.000 0.446 60 Y N 2.932 123.191 120.300 -0.069 0.000 2.309 60 Y HA 0.525 5.075 4.550 0.000 0.000 0.327 60 Y C 0.340 176.113 175.900 -0.211 0.000 1.172 60 Y CA -0.354 57.657 58.100 -0.149 0.000 1.280 60 Y CB 1.117 39.527 38.460 -0.083 0.000 1.234 60 Y HN 0.138 nan 8.280 nan 0.000 0.512 61 V N -0.247 119.548 119.914 -0.199 0.000 3.102 61 V HA 1.102 5.222 4.120 0.000 0.000 0.312 61 V C -0.279 175.629 176.094 -0.310 0.000 1.135 61 V CA -0.550 61.562 62.300 -0.315 0.000 1.022 61 V CB 1.693 33.256 31.823 -0.434 0.000 1.056 61 V HN 0.933 nan 8.190 nan 0.000 0.436 62 G N 0.341 108.909 108.800 -0.386 0.000 2.663 62 G HA2 0.742 4.702 3.960 0.000 0.000 0.299 62 G HA3 0.742 4.702 3.960 0.000 0.000 0.299 62 G C -3.389 171.345 174.900 -0.276 0.000 1.372 62 G CA -1.204 43.716 45.100 -0.299 0.000 0.781 62 G HN 0.736 nan 8.290 nan 0.000 0.491 63 P HA 0.131 nan 4.420 nan 0.000 0.267 63 P C 0.728 178.002 177.300 -0.043 0.000 1.200 63 P CA 1.896 64.945 63.100 -0.085 0.000 0.772 63 P CB 1.045 32.725 31.700 -0.033 0.000 0.855 64 T N -1.636 112.924 114.554 0.011 0.000 6.424 64 T HA -0.244 4.106 4.350 0.000 0.000 0.279 64 T C 0.258 174.979 174.700 0.036 0.000 2.176 64 T CA 1.007 63.189 62.100 0.137 0.000 3.628 64 T CB -2.679 66.394 68.868 0.343 0.000 1.165 64 T HN 0.589 nan 8.240 nan 0.000 1.080 65 Q N 1.399 121.044 119.800 -0.258 0.000 3.207 65 Q HA 0.382 4.722 4.340 0.000 0.000 0.335 65 Q C 0.921 176.821 176.000 -0.167 0.000 1.374 65 Q CA -0.466 55.089 55.803 -0.413 0.000 1.023 65 Q CB 0.205 28.503 28.738 -0.733 0.000 1.576 65 Q HN 0.494 nan 8.270 nan 0.000 0.515 66 N N 0.862 119.537 118.700 -0.041 0.000 2.354 66 N HA -0.068 4.672 4.740 0.000 0.000 0.179 66 N C 1.234 176.751 175.510 0.011 0.000 1.021 66 N CA 0.804 53.853 53.050 -0.001 0.000 0.887 66 N CB 0.269 38.779 38.487 0.039 0.000 0.974 66 N HN 0.391 nan 8.380 nan 0.000 0.437 67 R N 0.492 121.003 120.500 0.018 0.000 2.062 67 R HA 0.018 4.358 4.340 0.000 0.000 0.229 67 R C 2.030 178.343 176.300 0.022 0.000 1.128 67 R CA 0.705 56.822 56.100 0.029 0.000 0.960 67 R CB -0.364 29.965 30.300 0.049 0.000 0.855 67 R HN 0.092 nan 8.270 nan 0.000 0.432 68 I N 1.245 121.822 120.570 0.012 0.000 2.315 68 I HA -0.186 3.984 4.170 0.000 0.000 0.248 68 I C 1.842 178.021 176.117 0.104 0.000 1.117 68 I CA 1.335 62.665 61.300 0.051 0.000 1.404 68 I CB -0.008 38.029 38.000 0.062 0.000 1.071 68 I HN 0.090 nan 8.210 nan 0.000 0.419 69 L N 0.091 121.354 121.223 0.067 0.000 2.056 69 L HA -0.156 4.184 4.340 0.000 0.000 0.207 69 L C 2.735 179.648 176.870 0.072 0.000 1.078 69 L CA 1.185 56.081 54.840 0.094 0.000 0.749 69 L CB -0.837 41.232 42.059 0.017 0.000 0.901 69 L HN 0.246 nan 8.230 nan 0.000 0.433 70 R N 0.814 121.337 120.500 0.038 0.000 2.066 70 R HA -0.188 4.152 4.340 0.000 0.000 0.232 70 R C 2.319 178.628 176.300 0.014 0.000 1.131 70 R CA 1.702 57.817 56.100 0.025 0.000 0.955 70 R CB -0.671 29.641 30.300 0.021 0.000 0.851 70 R HN 0.242 nan 8.270 nan 0.000 0.432 71 L N 1.192 122.419 121.223 0.007 0.000 2.012 71 L HA -0.100 4.240 4.340 0.000 0.000 0.210 71 L C 2.442 179.280 176.870 -0.052 0.000 1.073 71 L CA 2.406 57.234 54.840 -0.019 0.000 0.748 71 L CB -0.832 41.215 42.059 -0.021 0.000 0.891 71 L HN 0.260 nan 8.230 nan 0.000 0.431 72 A N -0.786 121.995 122.820 -0.064 0.000 1.902 72 A HA -0.254 4.066 4.320 0.000 0.000 0.217 72 A C 2.460 180.000 177.584 -0.074 0.000 1.181 72 A CA 1.915 53.850 52.037 -0.171 0.000 0.623 72 A CB -0.636 18.195 19.000 -0.282 0.000 0.818 72 A HN 0.512 nan 8.150 nan 0.000 0.443 73 K N -0.283 120.121 120.400 0.007 0.000 2.057 73 K HA -0.214 4.106 4.320 0.000 0.000 0.207 73 K C 2.082 178.677 176.600 -0.008 0.000 1.049 73 K CA 1.727 58.024 56.287 0.016 0.000 0.931 73 K CB -0.172 32.347 32.500 0.032 0.000 0.714 73 K HN 0.638 nan 8.250 nan 0.000 0.440 74 E N 0.502 120.694 120.200 -0.015 0.000 2.153 74 E HA -0.162 4.188 4.350 0.000 0.000 0.194 74 E C 1.675 178.257 176.600 -0.029 0.000 0.988 74 E CA 0.783 57.173 56.400 -0.016 0.000 0.811 74 E CB 0.022 29.715 29.700 -0.013 0.000 0.746 74 E HN 0.347 nan 8.360 nan 0.000 0.466 75 L N -0.503 120.689 121.223 -0.052 0.000 2.610 75 L HA 0.130 4.470 4.340 0.000 0.000 0.232 75 L C 1.409 178.240 176.870 -0.065 0.000 1.149 75 L CA 0.517 55.317 54.840 -0.067 0.000 0.872 75 L CB 0.070 42.067 42.059 -0.105 0.000 0.992 75 L HN 0.404 nan 8.230 nan 0.000 0.447 76 G N 0.065 108.836 108.800 -0.048 0.000 2.131 76 G HA2 -0.233 3.727 3.960 0.000 0.000 0.223 76 G HA3 -0.233 3.727 3.960 0.000 0.000 0.223 76 G C 0.083 174.961 174.900 -0.036 0.000 0.990 76 G CA -0.316 44.764 45.100 -0.035 0.000 0.671 76 G HN 0.200 nan 8.290 nan 0.000 0.521 77 L N -0.137 121.055 121.223 -0.052 0.000 2.399 77 L HA 0.755 5.095 4.340 0.000 0.000 0.265 77 L C 0.567 177.482 176.870 0.074 0.000 1.089 77 L CA -0.797 54.022 54.840 -0.036 0.000 0.802 77 L CB 1.175 43.119 42.059 -0.193 0.000 1.180 77 L HN 0.202 nan 8.230 nan 0.000 0.454 78 E N -0.287 119.997 120.200 0.140 0.000 2.336 78 E HA 0.465 4.815 4.350 0.000 0.000 0.267 78 E C -0.958 175.795 176.600 0.255 0.000 0.906 78 E CA -0.741 55.760 56.400 0.168 0.000 0.781 78 E CB 2.374 32.143 29.700 0.114 0.000 1.261 78 E HN 0.650 nan 8.360 nan 0.000 0.436 79 T N -1.307 113.338 114.554 0.151 0.000 2.952 79 T HA 0.640 4.990 4.350 0.000 0.000 0.286 79 T C -0.791 173.977 174.700 0.114 0.000 1.024 79 T CA -0.678 61.435 62.100 0.021 0.000 1.029 79 T CB 0.691 69.448 68.868 -0.185 0.000 1.094 79 T HN 0.535 nan 8.240 nan 0.000 0.515 80 Y N -1.441 118.844 120.300 -0.025 0.000 2.609 80 Y HA 0.746 5.296 4.550 0.000 0.000 0.342 80 Y C -0.892 175.003 175.900 -0.008 0.000 1.058 80 Y CA -1.537 56.565 58.100 0.002 0.000 1.055 80 Y CB 1.381 39.864 38.460 0.038 0.000 1.292 80 Y HN 0.641 nan 8.280 nan 0.000 0.476 81 K N 2.148 122.608 120.400 0.100 0.000 2.201 81 K HA 0.481 4.801 4.320 0.000 0.000 0.278 81 K C -0.850 175.794 176.600 0.073 0.000 1.027 81 K CA -0.866 55.422 56.287 0.002 0.000 0.909 81 K CB 1.847 34.370 32.500 0.038 0.000 1.062 81 K HN 0.568 nan 8.250 nan 0.000 0.465 82 V N 3.036 122.938 119.914 -0.020 0.000 2.763 82 V HA -0.105 4.015 4.120 0.000 0.000 0.306 82 V C 0.556 176.699 176.094 0.081 0.000 1.059 82 V CA -0.187 62.152 62.300 0.065 0.000 1.138 82 V CB 0.391 32.231 31.823 0.029 0.000 0.940 82 V HN 0.737 nan 8.190 nan 0.000 0.489 83 N N 3.506 122.275 118.700 0.115 0.000 2.438 83 N HA 0.018 4.758 4.740 0.000 0.000 0.267 83 N C 0.225 175.757 175.510 0.037 0.000 1.222 83 N CA 0.494 53.596 53.050 0.088 0.000 0.930 83 N CB 0.300 38.861 38.487 0.123 0.000 1.083 83 N HN 0.821 nan 8.380 nan 0.000 0.476 84 E N 2.945 123.155 120.200 0.017 0.000 3.191 84 E HA 0.121 4.471 4.350 0.000 0.000 0.192 84 E C 0.306 176.901 176.600 -0.009 0.000 0.972 84 E CA -0.078 56.314 56.400 -0.014 0.000 1.266 84 E CB 0.253 29.931 29.700 -0.037 0.000 1.076 84 E HN 0.447 nan 8.360 nan 0.000 0.462 85 V N 0.576 120.496 119.914 0.010 0.000 2.307 85 V HA -0.163 3.957 4.120 0.000 0.000 0.245 85 V C 0.924 177.019 176.094 0.002 0.000 1.045 85 V CA 1.635 63.938 62.300 0.006 0.000 1.024 85 V CB -0.100 31.728 31.823 0.009 0.000 0.651 85 V HN 0.268 nan 8.190 nan 0.000 0.449 86 E N -0.732 119.476 120.200 0.014 0.000 3.099 86 E HA 0.402 4.752 4.350 0.000 0.000 0.259 86 E C 0.218 176.824 176.600 0.010 0.000 1.274 86 E CA -0.616 55.795 56.400 0.019 0.000 1.111 86 E CB 0.239 29.962 29.700 0.039 0.000 1.327 86 E HN 0.306 nan 8.360 nan 0.000 0.652 87 R N 0.094 120.622 120.500 0.047 0.000 2.490 87 R HA 0.336 4.676 4.340 0.000 0.000 0.278 87 R C -0.465 175.804 176.300 -0.051 0.000 1.069 87 R CA -0.651 55.455 56.100 0.010 0.000 1.080 87 R CB 0.192 30.556 30.300 0.106 0.000 1.030 87 R HN 0.163 nan 8.270 nan 0.000 0.491 88 L N 2.082 123.117 121.223 -0.314 0.000 2.468 88 L HA 0.404 4.744 4.340 0.000 0.000 0.254 88 L C 0.191 176.909 176.870 -0.253 0.000 1.171 88 L CA 0.117 54.689 54.840 -0.447 0.000 0.809 88 L CB 0.459 41.928 42.059 -0.983 0.000 1.155 88 L HN 0.459 nan 8.230 nan 0.000 0.473 89 I N 0.113 120.660 120.570 -0.039 0.000 2.498 89 I HA 0.270 4.440 4.170 0.000 0.000 0.290 89 I C -0.685 175.745 176.117 0.521 0.000 1.032 89 I CA -0.520 60.897 61.300 0.194 0.000 1.073 89 I CB 1.654 39.598 38.000 -0.093 0.000 1.251 89 I HN 0.548 nan 8.210 nan 0.000 0.426 90 H N 5.525 124.913 119.070 0.530 0.000 2.541 90 H HA 0.322 4.878 4.556 0.000 0.000 0.316 90 H C -1.377 174.181 175.328 0.385 0.000 1.043 90 H CA -0.683 55.608 56.048 0.405 0.000 1.232 90 H CB 0.988 30.881 29.762 0.218 0.000 1.406 90 H HN 0.632 nan 8.280 nan 0.000 0.469 91 H N 5.155 124.302 119.070 0.128 0.000 2.541 91 H HA 0.411 4.967 4.556 0.000 0.000 0.316 91 H C -1.396 173.896 175.328 -0.060 0.000 1.043 91 H CA -0.476 55.591 56.048 0.031 0.000 1.232 91 H CB 0.450 30.244 29.762 0.053 0.000 1.406 91 H HN 0.323 nan 8.280 nan 0.000 0.469 92 V N 3.799 123.543 119.914 -0.284 0.000 2.888 92 V HA 0.268 4.388 4.120 0.000 0.000 0.309 92 V C -0.205 175.807 176.094 -0.137 0.000 1.114 92 V CA -1.478 60.708 62.300 -0.190 0.000 0.940 92 V CB 1.918 33.597 31.823 -0.241 0.000 1.021 92 V HN 0.853 nan 8.190 nan 0.000 0.426 93 K N 2.405 122.765 120.400 -0.068 0.000 3.071 93 K HA -0.254 4.066 4.320 0.000 0.000 0.262 93 K C 1.123 177.667 176.600 -0.093 0.000 0.977 93 K CA 1.043 57.308 56.287 -0.037 0.000 0.721 93 K CB -1.659 30.843 32.500 0.003 0.000 1.293 93 K HN 2.108 nan 8.250 nan 0.000 0.475 94 G N -0.692 107.992 108.800 -0.194 0.000 2.179 94 G HA2 -0.339 3.621 3.960 0.000 0.000 0.260 94 G HA3 -0.339 3.621 3.960 0.000 0.000 0.260 94 G C -0.047 174.668 174.900 -0.309 0.000 0.977 94 G CA 0.918 45.938 45.100 -0.132 0.000 0.641 94 G HN 0.399 nan 8.290 nan 0.000 0.533 95 K N -0.001 120.052 120.400 -0.579 0.000 2.426 95 K HA 0.650 4.970 4.320 0.000 0.000 0.251 95 K C -0.707 175.552 176.600 -0.568 0.000 0.941 95 K CA -0.617 55.401 56.287 -0.450 0.000 0.808 95 K CB 2.012 34.311 32.500 -0.335 0.000 1.265 95 K HN 0.071 nan 8.250 nan 0.000 0.432 96 S N 1.311 116.795 115.700 -0.359 0.000 2.489 96 S HA 0.452 4.922 4.470 0.000 0.000 0.291 96 S C -1.319 173.023 174.600 -0.430 0.000 1.151 96 S CA -0.575 57.518 58.200 -0.179 0.000 1.082 96 S CB 0.287 63.509 63.200 0.037 0.000 1.019 96 S HN 0.358 nan 8.310 nan 0.000 0.492 97 Y N 2.117 122.505 120.300 0.146 0.000 2.332 97 Y HA 0.378 4.928 4.550 0.000 0.000 0.326 97 Y C -2.538 173.562 175.900 0.333 0.000 0.978 97 Y CA -2.324 55.901 58.100 0.209 0.000 1.205 97 Y CB 1.068 39.640 38.460 0.188 0.000 1.131 97 Y HN 0.443 nan 8.280 nan 0.000 0.462 98 P HA 0.299 nan 4.420 nan 0.000 0.275 98 P C -0.904 176.693 177.300 0.495 0.000 1.228 98 P CA -0.055 63.286 63.100 0.402 0.000 0.786 98 P CB 0.665 32.577 31.700 0.353 0.000 0.927 99 F N -1.008 119.064 119.950 0.205 0.000 2.817 99 F HA 0.690 5.217 4.527 0.000 0.000 0.317 99 F C -1.421 174.455 175.800 0.126 0.000 1.168 99 F CA -1.215 56.889 58.000 0.175 0.000 0.911 99 F CB 1.428 40.539 39.000 0.185 0.000 1.337 99 F HN 0.037 nan 8.300 nan 0.000 0.464 100 R N 0.915 121.495 120.500 0.134 0.000 2.795 100 R HA 0.776 5.116 4.340 0.000 0.000 0.275 100 R C -0.636 175.789 176.300 0.208 0.000 0.981 100 R CA -0.798 55.293 56.100 -0.015 0.000 0.917 100 R CB 1.996 32.306 30.300 0.016 0.000 1.202 100 R HN 1.529 nan 8.270 nan 0.000 0.469 101 G N 1.596 110.460 108.800 0.107 0.000 2.423 101 G HA2 -0.121 3.839 3.960 0.000 0.000 0.684 101 G HA3 -0.121 3.839 3.960 0.000 0.000 0.684 101 G C -2.293 172.672 174.900 0.108 0.000 1.309 101 G CA -1.001 44.177 45.100 0.130 0.000 0.950 101 G HN 0.407 nan 8.290 nan 0.000 0.587 102 P HA 0.138 nan 4.420 nan 0.000 0.218 102 P C 0.302 177.150 177.300 -0.753 0.000 1.149 102 P CA 1.231 64.078 63.100 -0.422 0.000 0.817 102 P CB 0.022 31.418 31.700 -0.506 0.000 0.785 103 F N -0.947 118.998 119.950 -0.009 0.000 2.578 103 F HA 0.447 4.974 4.527 0.000 0.000 0.311 103 F C -2.333 173.270 175.800 -0.329 0.000 1.094 103 F CA -3.021 54.881 58.000 -0.163 0.000 0.923 103 F CB 0.885 39.740 39.000 -0.242 0.000 1.230 103 F HN -0.380 nan 8.300 nan 0.000 0.450 104 P HA 0.087 nan 4.420 nan 0.000 0.266 104 P C -2.477 174.649 177.300 -0.290 0.000 1.195 104 P CA -0.696 61.822 63.100 -0.971 0.000 0.768 104 P CB -0.245 30.892 31.700 -0.938 0.000 0.838 105 P HA 0.104 nan 4.420 nan 0.000 0.275 105 P C -0.953 176.212 177.300 -0.225 0.000 1.228 105 P CA 0.101 63.107 63.100 -0.158 0.000 0.786 105 P CB 0.569 32.188 31.700 -0.134 0.000 0.927 106 V N 3.000 122.736 119.914 -0.298 0.000 2.409 106 V HA 0.199 4.319 4.120 0.000 0.000 0.291 106 V C 0.341 176.259 176.094 -0.294 0.000 1.020 106 V CA -0.186 61.966 62.300 -0.245 0.000 0.848 106 V CB 1.379 33.017 31.823 -0.308 0.000 0.990 106 V HN 0.668 nan 8.190 nan 0.000 0.430 107 W N 1.298 122.575 121.300 -0.038 0.000 2.588 107 W HA 0.158 4.818 4.660 0.000 0.000 0.277 107 W C 1.450 177.958 176.519 -0.018 0.000 1.221 107 W CA -0.063 57.262 57.345 -0.033 0.000 1.355 107 W CB 0.234 29.674 29.460 -0.033 0.000 1.083 107 W HN 0.513 nan 8.180 nan 0.000 0.581 108 N N 1.993 120.807 118.700 0.190 0.000 2.411 108 N HA -0.049 4.691 4.740 0.000 0.000 0.265 108 N C -1.823 173.755 175.510 0.114 0.000 1.266 108 N CA -0.426 52.700 53.050 0.127 0.000 0.889 108 N CB 1.250 39.791 38.487 0.090 0.000 1.069 108 N HN -0.109 nan 8.380 nan 0.000 0.476 109 P HA -0.086 nan 4.420 nan 0.000 0.217 109 P C 1.532 178.906 177.300 0.123 0.000 1.150 109 P CA 0.638 63.798 63.100 0.101 0.000 0.832 109 P CB 0.362 32.099 31.700 0.062 0.000 0.787 110 I N -0.639 119.982 120.570 0.085 0.000 2.202 110 I HA -0.163 4.007 4.170 0.000 0.000 0.242 110 I C 1.918 178.080 176.117 0.075 0.000 1.091 110 I CA 1.891 63.230 61.300 0.064 0.000 1.368 110 I CB -1.962 36.069 38.000 0.052 0.000 1.058 110 I HN 0.022 nan 8.210 nan 0.000 0.410 111 T N 0.297 114.906 114.554 0.091 0.000 2.788 111 T HA -0.239 4.111 4.350 0.000 0.000 0.268 111 T C 1.870 176.631 174.700 0.101 0.000 1.044 111 T CA 1.343 63.510 62.100 0.112 0.000 1.139 111 T CB -0.620 68.294 68.868 0.077 0.000 0.867 111 T HN 0.329 nan 8.240 nan 0.000 0.454 112 Y N 1.938 122.217 120.300 -0.035 0.000 2.181 112 Y HA -0.095 4.455 4.550 0.000 0.000 0.288 112 Y C 2.002 177.894 175.900 -0.013 0.000 1.146 112 Y CA 1.119 59.179 58.100 -0.066 0.000 1.164 112 Y CB -0.498 37.899 38.460 -0.105 0.000 0.982 112 Y HN 0.103 nan 8.280 nan 0.000 0.515 113 L N -0.047 121.169 121.223 -0.011 0.000 2.042 113 L HA -0.238 4.102 4.340 0.000 0.000 0.210 113 L C 2.178 178.954 176.870 -0.158 0.000 1.076 113 L CA 1.872 56.648 54.840 -0.106 0.000 0.749 113 L CB -0.673 41.369 42.059 -0.029 0.000 0.893 113 L HN 0.260 nan 8.230 nan 0.000 0.432 114 D N -0.943 119.412 120.400 -0.075 0.000 2.097 114 D HA -0.189 4.451 4.640 0.000 0.000 0.197 114 D C 2.187 178.410 176.300 -0.128 0.000 0.984 114 D CA 1.240 55.200 54.000 -0.066 0.000 0.826 114 D CB 0.059 40.866 40.800 0.013 0.000 0.973 114 D HN 0.305 nan 8.370 nan 0.000 0.460 115 H N -0.261 118.660 119.070 -0.248 0.000 2.321 115 H HA -0.108 4.448 4.556 0.000 0.000 0.300 115 H C 2.148 177.284 175.328 -0.320 0.000 1.087 115 H CA 1.181 57.053 56.048 -0.294 0.000 1.319 115 H CB -0.189 29.453 29.762 -0.201 0.000 1.379 115 H HN 0.289 nan 8.280 nan 0.000 0.501 116 N N 1.167 119.686 118.700 -0.302 0.000 2.069 116 N HA -0.185 4.555 4.740 0.000 0.000 0.191 116 N C 1.815 177.191 175.510 -0.223 0.000 1.031 116 N CA 0.957 53.813 53.050 -0.323 0.000 0.852 116 N CB -0.215 37.931 38.487 -0.569 0.000 1.018 116 N HN 0.406 nan 8.380 nan 0.000 0.423 117 N N -0.117 118.448 118.700 -0.224 0.000 2.188 117 N HA -0.176 4.564 4.740 0.000 0.000 0.184 117 N C 1.875 177.246 175.510 -0.232 0.000 1.018 117 N CA 0.643 53.576 53.050 -0.194 0.000 0.858 117 N CB -0.284 38.107 38.487 -0.160 0.000 0.989 117 N HN 0.228 nan 8.380 nan 0.000 0.426 118 F N 0.803 120.493 119.950 -0.434 0.000 2.051 118 F HA -0.130 4.397 4.527 0.000 0.000 0.296 118 F C 1.777 177.221 175.800 -0.592 0.000 1.122 118 F CA 1.748 59.392 58.000 -0.594 0.000 1.201 118 F CB -0.848 37.619 39.000 -0.888 0.000 0.978 118 F HN 0.074 nan 8.300 nan 0.000 0.472 119 W N 0.476 121.478 121.300 -0.497 0.000 2.358 119 W HA -0.123 4.537 4.660 0.000 0.000 0.303 119 W C 2.790 179.029 176.519 -0.466 0.000 1.208 119 W CA 1.300 58.289 57.345 -0.593 0.000 1.274 119 W CB -0.671 28.445 29.460 -0.573 0.000 1.138 119 W HN -0.061 nan 8.180 nan 0.000 0.515 120 R N 0.208 120.608 120.500 -0.168 0.000 2.083 120 R HA -0.154 4.186 4.340 0.000 0.000 0.237 120 R C 1.965 178.133 176.300 -0.219 0.000 1.137 120 R CA 2.238 58.239 56.100 -0.166 0.000 0.951 120 R CB -0.683 29.519 30.300 -0.163 0.000 0.851 120 R HN 0.030 nan 8.270 nan 0.000 0.434 121 T N 1.203 115.577 114.554 -0.299 0.000 2.821 121 T HA -0.097 4.253 4.350 0.000 0.000 0.267 121 T C 1.825 176.312 174.700 -0.355 0.000 1.046 121 T CA 1.268 63.190 62.100 -0.297 0.000 1.139 121 T CB -0.034 68.659 68.868 -0.292 0.000 0.871 121 T HN 0.167 nan 8.240 nan 0.000 0.454 122 M N 1.636 120.933 119.600 -0.505 0.000 2.080 122 M HA -0.111 4.369 4.480 0.000 0.000 0.260 122 M C 1.851 178.005 176.300 -0.243 0.000 1.068 122 M CA 1.537 56.586 55.300 -0.417 0.000 1.109 122 M CB -1.070 31.248 32.600 -0.469 0.000 1.342 122 M HN 0.189 nan 8.290 nan 0.000 0.405 123 D N 0.476 120.759 120.400 -0.196 0.000 2.144 123 D HA -0.124 4.516 4.640 0.000 0.000 0.200 123 D C 1.599 177.828 176.300 -0.119 0.000 0.978 123 D CA 1.025 54.944 54.000 -0.135 0.000 0.833 123 D CB -0.305 40.431 40.800 -0.106 0.000 0.961 123 D HN 0.302 nan 8.370 nan 0.000 0.470 124 D N 0.447 120.770 120.400 -0.127 0.000 2.104 124 D HA -0.127 4.513 4.640 0.000 0.000 0.194 124 D C 2.219 178.496 176.300 -0.039 0.000 0.994 124 D CA 0.814 54.765 54.000 -0.083 0.000 0.830 124 D CB -0.264 40.484 40.800 -0.086 0.000 0.959 124 D HN 0.256 nan 8.370 nan 0.000 0.452 125 M N 0.284 119.828 119.600 -0.094 0.000 2.117 125 M HA -0.053 4.427 4.480 0.000 0.000 0.262 125 M C 2.382 178.712 176.300 0.050 0.000 1.065 125 M CA 1.678 56.941 55.300 -0.061 0.000 1.114 125 M CB -0.524 31.769 32.600 -0.513 0.000 1.361 125 M HN 0.030 nan 8.290 nan 0.000 0.408 126 G N 0.342 109.112 108.800 -0.050 0.000 2.442 126 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 126 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 126 G C 1.615 176.513 174.900 -0.004 0.000 1.141 126 G CA 0.666 45.749 45.100 -0.030 0.000 0.763 126 G HN 0.418 nan 8.290 nan 0.000 0.554 127 R N 0.202 120.694 120.500 -0.014 0.000 2.285 127 R HA 0.009 4.349 4.340 0.000 0.000 0.213 127 R C 1.733 178.038 176.300 0.008 0.000 1.068 127 R CA 0.698 56.784 56.100 -0.023 0.000 1.004 127 R CB 0.056 30.334 30.300 -0.037 0.000 0.873 127 R HN 0.318 nan 8.270 nan 0.000 0.467 128 E N 0.323 120.569 120.200 0.076 0.000 2.478 128 E HA 0.063 4.413 4.350 0.000 0.000 0.194 128 E C 0.323 176.943 176.600 0.035 0.000 1.045 128 E CA 0.440 56.880 56.400 0.067 0.000 0.868 128 E CB 0.387 30.177 29.700 0.149 0.000 0.885 128 E HN 0.326 nan 8.360 nan 0.000 0.505 129 I N 3.005 123.615 120.570 0.066 0.000 2.328 129 I HA 0.202 4.372 4.170 0.000 0.000 0.287 129 I C -2.415 173.699 176.117 -0.004 0.000 1.012 129 I CA -2.330 59.004 61.300 0.057 0.000 1.195 129 I CB 1.341 39.442 38.000 0.169 0.000 1.350 129 I HN -0.349 nan 8.210 nan 0.000 0.464 130 P HA 0.115 nan 4.420 nan 0.000 0.267 130 P C 0.519 177.783 177.300 -0.059 0.000 1.205 130 P CA 0.157 63.184 63.100 -0.122 0.000 0.765 130 P CB 0.906 32.478 31.700 -0.213 0.000 0.828 131 S N 2.036 117.719 115.700 -0.028 0.000 2.383 131 S HA -0.168 4.302 4.470 0.000 0.000 0.229 131 S C 1.230 175.924 174.600 0.155 0.000 1.030 131 S CA 1.832 60.095 58.200 0.106 0.000 1.002 131 S CB -0.612 62.558 63.200 -0.049 0.000 0.829 131 S HN 0.680 nan 8.310 nan 0.000 0.467 132 D N 0.387 120.733 120.400 -0.090 0.000 2.339 132 D HA 0.297 4.938 4.640 0.000 0.000 0.217 132 D C 0.260 176.329 176.300 -0.385 0.000 1.050 132 D CA 0.323 54.221 54.000 -0.170 0.000 0.856 132 D CB 0.064 40.703 40.800 -0.269 0.000 0.922 132 D HN 0.270 nan 8.370 nan 0.000 0.518 133 A N 1.047 123.474 122.820 -0.655 0.000 3.208 133 A HA 0.330 4.650 4.320 0.000 0.000 0.252 133 A C -2.205 174.563 177.584 -1.360 0.000 1.225 133 A CA -0.744 50.420 52.037 -1.454 0.000 0.980 133 A CB 0.756 19.218 19.000 -0.896 0.000 1.414 133 A HN -0.091 nan 8.150 nan 0.000 0.721 134 P HA -0.154 nan 4.420 nan 0.000 0.220 134 P C 1.228 178.320 177.300 -0.346 0.000 1.148 134 P CA 1.319 64.107 63.100 -0.521 0.000 0.803 134 P CB -0.323 31.073 31.700 -0.507 0.000 0.782 135 W N 0.875 122.099 121.300 -0.126 0.000 2.721 135 W HA 0.095 4.755 4.660 0.000 0.000 0.245 135 W C 1.175 177.644 176.519 -0.083 0.000 1.276 135 W CA 0.374 57.664 57.345 -0.092 0.000 1.342 135 W CB -1.287 28.114 29.460 -0.098 0.000 1.135 135 W HN -0.177 nan 8.180 nan 0.000 0.654 136 K N 0.980 121.187 120.400 -0.321 0.000 2.404 136 K HA 0.270 4.590 4.320 0.000 0.000 0.194 136 K C 0.914 177.418 176.600 -0.159 0.000 1.023 136 K CA 0.470 56.650 56.287 -0.179 0.000 1.094 136 K CB -0.308 32.045 32.500 -0.246 0.000 0.841 136 K HN 0.163 nan 8.250 nan 0.000 0.523 137 A N 2.763 125.484 122.820 -0.165 0.000 2.531 137 A HA 0.094 4.414 4.320 0.000 0.000 0.236 137 A C -1.455 175.989 177.584 -0.234 0.000 1.062 137 A CA -0.785 51.144 52.037 -0.181 0.000 0.760 137 A CB 0.072 18.975 19.000 -0.162 0.000 0.995 137 A HN -0.049 nan 8.150 nan 0.000 0.501 138 P HA -0.102 nan 4.420 nan 0.000 0.216 138 P C 0.529 177.629 177.300 -0.334 0.000 1.150 138 P CA 1.201 64.154 63.100 -0.245 0.000 0.837 138 P CB 0.059 31.634 31.700 -0.208 0.000 0.786 139 L N -2.030 118.829 121.223 -0.606 0.000 2.984 139 L HA 0.338 4.678 4.340 0.000 0.000 0.246 139 L C 1.837 178.300 176.870 -0.678 0.000 1.268 139 L CA -0.322 54.079 54.840 -0.732 0.000 1.054 139 L CB -0.486 40.893 42.059 -1.133 0.000 1.393 139 L HN -0.101 nan 8.230 nan 0.000 0.532 140 A N 0.496 123.092 122.820 -0.374 0.000 1.892 140 A HA -0.228 4.092 4.320 0.000 0.000 0.218 140 A C 2.181 179.758 177.584 -0.012 0.000 1.188 140 A CA 1.788 53.748 52.037 -0.128 0.000 0.631 140 A CB -0.176 18.805 19.000 -0.031 0.000 0.822 140 A HN 0.514 nan 8.150 nan 0.000 0.447 141 E N -0.907 119.273 120.200 -0.034 0.000 2.031 141 E HA -0.237 4.113 4.350 0.000 0.000 0.193 141 E C 2.135 178.771 176.600 0.061 0.000 0.994 141 E CA 1.258 57.673 56.400 0.024 0.000 0.800 141 E CB -0.257 29.445 29.700 0.003 0.000 0.752 141 E HN 0.826 nan 8.360 nan 0.000 0.447 142 E N 0.114 120.323 120.200 0.014 0.000 2.070 142 E HA -0.211 4.139 4.350 0.000 0.000 0.197 142 E C 1.770 178.545 176.600 0.292 0.000 1.004 142 E CA 1.314 57.776 56.400 0.103 0.000 0.805 142 E CB -0.016 29.711 29.700 0.045 0.000 0.744 142 E HN 0.293 nan 8.360 nan 0.000 0.451 143 W N 0.850 122.190 121.300 0.067 0.000 2.436 143 W HA -0.028 4.632 4.660 0.000 0.000 0.284 143 W C 1.948 178.538 176.519 0.117 0.000 1.225 143 W CA 0.701 58.099 57.345 0.087 0.000 1.271 143 W CB -0.991 28.520 29.460 0.085 0.000 1.114 143 W HN 0.216 nan 8.180 nan 0.000 0.559 144 D N -0.317 120.285 120.400 0.336 0.000 2.269 144 D HA -0.120 4.520 4.640 0.000 0.000 0.208 144 D C 1.285 177.715 176.300 0.216 0.000 0.963 144 D CA 0.910 55.072 54.000 0.268 0.000 0.864 144 D CB -0.214 40.717 40.800 0.218 0.000 0.936 144 D HN -0.111 nan 8.370 nan 0.000 0.505 145 N N -0.142 118.669 118.700 0.186 0.000 2.383 145 N HA 0.087 4.827 4.740 0.000 0.000 0.192 145 N C 0.037 175.629 175.510 0.137 0.000 1.141 145 N CA 0.181 53.317 53.050 0.143 0.000 0.851 145 N CB 0.003 38.556 38.487 0.110 0.000 0.976 145 N HN 0.468 nan 8.380 nan 0.000 0.465 146 M N -1.685 118.012 119.600 0.161 0.000 2.591 146 M HA 0.503 4.983 4.480 0.000 0.000 0.306 146 M C -0.015 176.369 176.300 0.139 0.000 1.190 146 M CA -0.909 54.469 55.300 0.131 0.000 0.889 146 M CB 1.859 34.530 32.600 0.118 0.000 1.728 146 M HN -0.130 nan 8.290 nan 0.000 0.458 147 T N -1.047 113.572 114.554 0.109 0.000 2.816 147 T HA 0.292 4.642 4.350 0.000 0.000 0.282 147 T C 1.092 175.838 174.700 0.077 0.000 0.993 147 T CA -0.840 61.325 62.100 0.107 0.000 0.994 147 T CB 0.834 69.755 68.868 0.089 0.000 1.025 147 T HN 0.770 nan 8.240 nan 0.000 0.529 148 M N 0.275 119.909 119.600 0.057 0.000 2.202 148 M HA -0.042 4.438 4.480 0.000 0.000 0.262 148 M C 2.192 178.473 176.300 -0.033 0.000 1.063 148 M CA 1.628 56.924 55.300 -0.007 0.000 1.097 148 M CB -1.295 31.229 32.600 -0.125 0.000 1.382 148 M HN 0.871 nan 8.290 nan 0.000 0.413 149 K N 0.509 120.896 120.400 -0.022 0.000 2.026 149 K HA -0.182 4.138 4.320 0.000 0.000 0.208 149 K C 1.716 178.302 176.600 -0.024 0.000 1.048 149 K CA 1.562 57.836 56.287 -0.023 0.000 0.929 149 K CB 0.032 32.548 32.500 0.027 0.000 0.713 149 K HN 0.381 nan 8.250 nan 0.000 0.439 150 E N 0.512 120.711 120.200 -0.001 0.000 2.085 150 E HA -0.220 4.130 4.350 0.000 0.000 0.194 150 E C 2.024 178.614 176.600 -0.018 0.000 0.994 150 E CA 1.111 57.508 56.400 -0.006 0.000 0.801 150 E CB -0.125 29.587 29.700 0.021 0.000 0.743 150 E HN 0.198 nan 8.360 nan 0.000 0.453 151 L N 1.115 122.332 121.223 -0.011 0.000 2.046 151 L HA -0.169 4.171 4.340 0.000 0.000 0.208 151 L C 2.057 178.914 176.870 -0.021 0.000 1.077 151 L CA 1.528 56.354 54.840 -0.024 0.000 0.747 151 L CB -0.315 41.722 42.059 -0.037 0.000 0.896 151 L HN 0.118 nan 8.230 nan 0.000 0.432 152 L N -0.894 120.308 121.223 -0.035 0.000 2.046 152 L HA -0.211 4.129 4.340 0.000 0.000 0.208 152 L C 2.252 179.046 176.870 -0.126 0.000 1.077 152 L CA 1.315 56.099 54.840 -0.093 0.000 0.747 152 L CB -1.021 40.934 42.059 -0.174 0.000 0.896 152 L HN 0.269 nan 8.230 nan 0.000 0.432 153 D N 0.422 120.756 120.400 -0.111 0.000 2.149 153 D HA -0.180 4.460 4.640 0.000 0.000 0.198 153 D C 2.208 178.413 176.300 -0.158 0.000 0.990 153 D CA 1.297 55.215 54.000 -0.135 0.000 0.839 153 D CB -0.016 40.720 40.800 -0.107 0.000 0.948 153 D HN 0.288 nan 8.370 nan 0.000 0.460 154 K N -0.216 120.122 120.400 -0.103 0.000 2.116 154 K HA 0.068 4.388 4.320 0.000 0.000 0.203 154 K C 2.194 178.770 176.600 -0.040 0.000 1.052 154 K CA 0.415 56.652 56.287 -0.083 0.000 0.952 154 K CB 0.131 32.615 32.500 -0.026 0.000 0.729 154 K HN 0.128 nan 8.250 nan 0.000 0.446 155 L N 0.160 121.381 121.223 -0.003 0.000 2.249 155 L HA 0.013 4.353 4.340 0.000 0.000 0.207 155 L C 0.625 177.579 176.870 0.139 0.000 1.090 155 L CA 0.001 54.898 54.840 0.096 0.000 0.802 155 L CB 0.278 42.406 42.059 0.115 0.000 0.947 155 L HN 0.102 nan 8.230 nan 0.000 0.453 156 C N -0.221 119.062 119.300 -0.029 0.000 2.246 156 C HA 0.128 4.588 4.460 0.000 0.000 0.329 156 C C 0.721 175.685 174.990 -0.043 0.000 1.221 156 C CA -0.886 58.084 59.018 -0.081 0.000 1.697 156 C CB -0.728 26.836 27.740 -0.292 0.000 2.312 156 C HN 0.467 nan 8.230 nan 0.000 0.509 157 W N 1.937 123.161 121.300 -0.126 0.000 3.290 157 W HA 0.156 4.816 4.660 0.000 0.000 0.287 157 W C 1.352 177.825 176.519 -0.077 0.000 1.288 157 W CA 0.018 57.312 57.345 -0.084 0.000 1.725 157 W CB -0.122 29.302 29.460 -0.061 0.000 1.103 157 W HN 0.681 nan 8.180 nan 0.000 0.670 158 T N -3.755 110.837 114.554 0.063 0.000 2.887 158 T HA 0.304 4.654 4.350 0.000 0.000 0.288 158 T C 0.806 175.470 174.700 -0.059 0.000 1.021 158 T CA -0.630 61.481 62.100 0.019 0.000 1.000 158 T CB 2.634 71.536 68.868 0.057 0.000 1.034 158 T HN -0.210 nan 8.240 nan 0.000 0.467 159 E N 1.027 121.204 120.200 -0.038 0.000 2.150 159 E HA -0.090 4.260 4.350 0.000 0.000 0.193 159 E C 2.125 178.693 176.600 -0.053 0.000 0.985 159 E CA 1.073 57.438 56.400 -0.058 0.000 0.814 159 E CB -0.370 29.312 29.700 -0.031 0.000 0.752 159 E HN 0.727 nan 8.360 nan 0.000 0.466 160 S N 0.714 116.419 115.700 0.008 0.000 2.365 160 S HA -0.213 4.257 4.470 0.000 0.000 0.225 160 S C 2.071 176.642 174.600 -0.049 0.000 1.039 160 S CA 1.643 59.898 58.200 0.090 0.000 1.033 160 S CB -0.076 63.264 63.200 0.234 0.000 0.887 160 S HN 0.314 nan 8.310 nan 0.000 0.447 161 A N 1.218 123.847 122.820 -0.318 0.000 1.898 161 A HA -0.035 4.285 4.320 0.000 0.000 0.216 161 A C 2.160 179.335 177.584 -0.682 0.000 1.181 161 A CA 1.769 53.287 52.037 -0.865 0.000 0.620 161 A CB -0.729 17.750 19.000 -0.869 0.000 0.819 161 A HN 0.654 nan 8.150 nan 0.000 0.442 162 K N -0.425 119.701 120.400 -0.456 0.000 2.057 162 K HA -0.222 4.098 4.320 0.000 0.000 0.207 162 K C 2.199 178.635 176.600 -0.273 0.000 1.049 162 K CA 1.766 57.816 56.287 -0.396 0.000 0.931 162 K CB -0.198 32.145 32.500 -0.261 0.000 0.714 162 K HN 0.628 nan 8.250 nan 0.000 0.440 163 Q N 0.283 119.988 119.800 -0.159 0.000 2.050 163 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 163 Q C 2.131 178.129 176.000 -0.003 0.000 0.980 163 Q CA 1.355 57.131 55.803 -0.045 0.000 0.840 163 Q CB -0.094 28.659 28.738 0.026 0.000 0.898 163 Q HN 0.225 nan 8.270 nan 0.000 0.424 164 L N 0.474 121.684 121.223 -0.023 0.000 2.056 164 L HA -0.088 4.252 4.340 0.000 0.000 0.207 164 L C 2.122 179.038 176.870 0.076 0.000 1.078 164 L CA 1.970 56.864 54.840 0.091 0.000 0.749 164 L CB -0.769 41.371 42.059 0.136 0.000 0.901 164 L HN 0.139 nan 8.230 nan 0.000 0.433 165 A N -1.741 120.915 122.820 -0.274 0.000 1.933 165 A HA -0.198 4.122 4.320 0.000 0.000 0.218 165 A C 2.249 179.828 177.584 -0.009 0.000 1.175 165 A CA 2.208 54.051 52.037 -0.324 0.000 0.628 165 A CB -1.132 17.198 19.000 -1.118 0.000 0.814 165 A HN 0.503 nan 8.150 nan 0.000 0.444 166 T N 0.287 114.799 114.554 -0.070 0.000 2.708 166 T HA -0.113 4.237 4.350 0.000 0.000 0.266 166 T C 1.739 176.486 174.700 0.077 0.000 1.037 166 T CA 1.481 63.572 62.100 -0.016 0.000 1.146 166 T CB -0.311 68.539 68.868 -0.031 0.000 0.865 166 T HN 0.209 nan 8.240 nan 0.000 0.435 167 L N 0.502 121.812 121.223 0.146 0.000 2.042 167 L HA 0.028 4.368 4.340 0.000 0.000 0.210 167 L C 2.023 179.035 176.870 0.237 0.000 1.076 167 L CA 1.413 56.370 54.840 0.195 0.000 0.749 167 L CB -1.329 40.881 42.059 0.252 0.000 0.893 167 L HN 0.241 nan 8.230 nan 0.000 0.432 168 F N -0.373 119.689 119.950 0.185 0.000 2.065 168 F HA -0.282 4.245 4.527 0.000 0.000 0.298 168 F C 2.347 178.279 175.800 0.221 0.000 1.112 168 F CA 1.862 60.025 58.000 0.272 0.000 1.212 168 F CB -0.362 38.957 39.000 0.531 0.000 0.975 168 F HN -0.111 nan 8.300 nan 0.000 0.476 169 V N 0.867 120.891 119.914 0.184 0.000 2.295 169 V HA -0.359 3.761 4.120 0.000 0.000 0.246 169 V C 1.980 178.018 176.094 -0.093 0.000 1.049 169 V CA 2.488 64.693 62.300 -0.159 0.000 1.024 169 V CB -1.053 30.506 31.823 -0.440 0.000 0.648 169 V HN 0.417 nan 8.190 nan 0.000 0.447 170 N N 0.077 118.744 118.700 -0.054 0.000 2.104 170 N HA -0.219 4.521 4.740 0.000 0.000 0.190 170 N C 1.774 177.251 175.510 -0.055 0.000 1.024 170 N CA 1.396 54.413 53.050 -0.055 0.000 0.853 170 N CB -0.227 38.261 38.487 0.001 0.000 1.008 170 N HN 0.353 nan 8.380 nan 0.000 0.424 171 L N 0.797 122.003 121.223 -0.029 0.000 2.072 171 L HA -0.035 4.305 4.340 0.000 0.000 0.205 171 L C 2.018 178.881 176.870 -0.013 0.000 1.079 171 L CA 1.486 56.297 54.840 -0.049 0.000 0.752 171 L CB -0.527 41.464 42.059 -0.114 0.000 0.906 171 L HN 0.218 nan 8.230 nan 0.000 0.436 172 C N -1.333 117.935 119.300 -0.053 0.000 2.440 172 C HA -0.011 4.449 4.460 0.000 0.000 0.278 172 C C 2.208 177.309 174.990 0.185 0.000 1.295 172 C CA 0.925 59.972 59.018 0.047 0.000 1.738 172 C CB -0.613 27.093 27.740 -0.056 0.000 1.987 172 C HN 0.587 nan 8.230 nan 0.000 0.492 173 V N -2.156 117.803 119.914 0.075 0.000 3.276 173 V HA 0.305 4.425 4.120 0.000 0.000 0.319 173 V C 0.760 176.749 176.094 -0.175 0.000 1.476 173 V CA 0.773 63.077 62.300 0.006 0.000 1.097 173 V CB -1.324 30.618 31.823 0.199 0.000 0.988 173 V HN 0.509 nan 8.190 nan 0.000 0.473 174 T N -1.551 112.814 114.554 -0.315 0.000 3.852 174 T HA -0.090 4.260 4.350 0.000 0.000 0.361 174 T C 0.136 174.690 174.700 -0.244 0.000 0.759 174 T CA 1.404 63.287 62.100 -0.362 0.000 1.899 174 T CB -2.576 65.929 68.868 -0.605 0.000 1.822 174 T HN 2.454 nan 8.240 nan 0.000 0.778 175 A N -0.391 122.280 122.820 -0.249 0.000 2.594 175 A HA 0.750 5.070 4.320 0.000 0.000 0.291 175 A C -0.410 176.984 177.584 -0.316 0.000 1.105 175 A CA -1.054 50.762 52.037 -0.368 0.000 0.694 175 A CB 1.241 19.794 19.000 -0.745 0.000 1.291 175 A HN 0.344 nan 8.150 nan 0.000 0.410 176 E N 0.364 120.327 120.200 -0.395 0.000 2.349 176 E HA 0.261 4.611 4.350 0.000 0.000 0.262 176 E C 1.212 177.534 176.600 -0.462 0.000 1.088 176 E CA 0.491 56.630 56.400 -0.435 0.000 0.899 176 E CB 0.928 30.183 29.700 -0.743 0.000 1.044 176 E HN 0.800 nan 8.360 nan 0.000 0.420 177 T N -1.477 112.870 114.554 -0.345 0.000 2.833 177 T HA -0.200 4.150 4.350 0.000 0.000 0.269 177 T C 1.462 176.052 174.700 -0.184 0.000 1.054 177 T CA 1.658 63.613 62.100 -0.241 0.000 1.135 177 T CB -0.391 68.386 68.868 -0.152 0.000 0.869 177 T HN 0.621 nan 8.240 nan 0.000 0.466 178 H N 0.615 119.640 119.070 -0.074 0.000 2.547 178 H HA 0.244 4.800 4.556 0.000 0.000 0.272 178 H C 1.525 176.834 175.328 -0.032 0.000 0.989 178 H CA 0.843 56.864 56.048 -0.045 0.000 1.214 178 H CB -0.197 29.537 29.762 -0.047 0.000 1.389 178 H HN 0.500 nan 8.280 nan 0.000 0.577 179 E N 1.412 121.440 120.200 -0.287 0.000 2.230 179 E HA 0.033 4.383 4.350 0.000 0.000 0.192 179 E C 0.827 177.402 176.600 -0.043 0.000 0.987 179 E CA 0.504 56.817 56.400 -0.146 0.000 0.841 179 E CB 0.720 30.191 29.700 -0.382 0.000 0.783 179 E HN 0.362 nan 8.360 nan 0.000 0.481 180 V N -0.889 118.994 119.914 -0.052 0.000 2.581 180 V HA 0.396 4.516 4.120 0.000 0.000 0.303 180 V C 0.023 176.274 176.094 0.263 0.000 1.041 180 V CA -1.169 61.215 62.300 0.140 0.000 0.907 180 V CB 1.834 33.791 31.823 0.223 0.000 0.994 180 V HN -0.022 nan 8.190 nan 0.000 0.442 181 S N 3.548 119.476 115.700 0.380 0.000 2.552 181 S HA 0.384 4.854 4.470 0.000 0.000 0.289 181 S C 1.457 176.322 174.600 0.442 0.000 1.304 181 S CA 0.223 58.658 58.200 0.392 0.000 1.063 181 S CB 0.848 64.313 63.200 0.441 0.000 0.848 181 S HN 1.771 nan 8.310 nan 0.000 0.499 182 A N 4.998 128.004 122.820 0.310 0.000 1.877 182 A HA -0.029 4.291 4.320 0.000 0.000 0.216 182 A C 2.035 179.805 177.584 0.310 0.000 1.186 182 A CA 1.596 53.790 52.037 0.262 0.000 0.620 182 A CB -0.933 18.137 19.000 0.117 0.000 0.822 182 A HN 0.971 nan 8.150 nan 0.000 0.443 183 L N -1.408 120.036 121.223 0.369 0.000 2.013 183 L HA -0.181 4.159 4.340 0.000 0.000 0.212 183 L C 2.233 179.343 176.870 0.400 0.000 1.073 183 L CA 2.606 57.694 54.840 0.413 0.000 0.753 183 L CB -0.777 41.527 42.059 0.407 0.000 0.890 183 L HN 0.667 nan 8.230 nan 0.000 0.432 184 W N -0.674 120.798 121.300 0.286 0.000 2.358 184 W HA -0.274 4.386 4.660 0.000 0.000 0.303 184 W C 2.334 179.131 176.519 0.463 0.000 1.208 184 W CA 1.859 59.396 57.345 0.320 0.000 1.274 184 W CB -0.633 28.999 29.460 0.287 0.000 1.138 184 W HN 0.290 nan 8.180 nan 0.000 0.515 185 F N 0.695 120.737 119.950 0.153 0.000 2.146 185 F HA -0.136 4.391 4.527 0.000 0.000 0.298 185 F C 2.089 177.837 175.800 -0.087 0.000 1.096 185 F CA 2.022 59.919 58.000 -0.171 0.000 1.275 185 F CB -0.689 38.365 39.000 0.090 0.000 1.008 185 F HN -0.179 nan 8.300 nan 0.000 0.480 186 L N -1.205 120.049 121.223 0.052 0.000 2.083 186 L HA -0.228 4.112 4.340 0.000 0.000 0.209 186 L C 2.310 179.121 176.870 -0.098 0.000 1.083 186 L CA 1.720 56.532 54.840 -0.047 0.000 0.752 186 L CB -0.999 41.055 42.059 -0.009 0.000 0.899 186 L HN 0.452 nan 8.230 nan 0.000 0.433 187 W N 0.036 121.221 121.300 -0.191 0.000 2.355 187 W HA -0.316 4.344 4.660 0.000 0.000 0.309 187 W C 2.634 178.949 176.519 -0.340 0.000 1.206 187 W CA 1.626 58.837 57.345 -0.222 0.000 1.284 187 W CB -0.666 28.695 29.460 -0.165 0.000 1.145 187 W HN 0.107 nan 8.180 nan 0.000 0.502 188 Y N 0.569 120.436 120.300 -0.721 0.000 2.128 188 Y HA -0.296 4.254 4.550 0.000 0.000 0.284 188 Y C 2.380 177.742 175.900 -0.897 0.000 1.154 188 Y CA 2.976 60.443 58.100 -1.055 0.000 1.149 188 Y CB -0.804 37.008 38.460 -1.081 0.000 0.976 188 Y HN -0.140 nan 8.280 nan 0.000 0.505 189 V N 0.920 120.437 119.914 -0.662 0.000 2.307 189 V HA -0.284 3.836 4.120 0.000 0.000 0.245 189 V C 2.499 178.283 176.094 -0.517 0.000 1.045 189 V CA 2.223 64.212 62.300 -0.517 0.000 1.024 189 V CB -0.668 30.954 31.823 -0.334 0.000 0.651 189 V HN 0.326 nan 8.190 nan 0.000 0.449 190 K N 1.039 121.152 120.400 -0.478 0.000 2.057 190 K HA -0.254 4.066 4.320 0.000 0.000 0.207 190 K C 2.137 178.413 176.600 -0.540 0.000 1.049 190 K CA 2.211 58.253 56.287 -0.408 0.000 0.931 190 K CB -0.127 32.200 32.500 -0.287 0.000 0.714 190 K HN 0.709 nan 8.250 nan 0.000 0.440 191 Q N -0.751 118.580 119.800 -0.781 0.000 2.472 191 Q HA 0.000 4.340 4.340 0.000 0.000 0.208 191 Q C 1.314 176.783 176.000 -0.885 0.000 0.958 191 Q CA 0.920 56.253 55.803 -0.783 0.000 0.932 191 Q CB -0.419 27.692 28.738 -1.046 0.000 1.007 191 Q HN 0.145 nan 8.270 nan 0.000 0.508 192 C N 0.324 118.963 119.300 -1.101 0.000 2.693 192 C HA 0.635 5.095 4.460 0.000 0.000 0.286 192 C C 1.531 175.796 174.990 -1.208 0.000 1.277 192 C CA 0.075 58.058 59.018 -1.724 0.000 1.705 192 C CB -0.915 25.828 27.740 -1.661 0.000 1.879 192 C HN 0.830 nan 8.230 nan 0.000 0.607 193 G N 0.249 108.654 108.800 -0.659 0.000 2.175 193 G HA2 0.256 4.216 3.960 0.000 0.000 0.244 193 G HA3 0.256 4.216 3.960 0.000 0.000 0.244 193 G C 0.493 175.239 174.900 -0.258 0.000 0.982 193 G CA 0.066 44.951 45.100 -0.357 0.000 0.641 193 G HN 1.681 nan 8.290 nan 0.000 0.527 194 G N -2.190 106.438 108.800 -0.287 0.000 2.525 194 G HA2 0.338 4.298 3.960 0.000 0.000 0.685 194 G HA3 0.338 4.298 3.960 0.000 0.000 0.685 194 G C 1.000 175.868 174.900 -0.054 0.000 1.290 194 G CA 0.987 45.993 45.100 -0.158 0.000 0.915 194 G HN 1.838 nan 8.290 nan 0.000 0.548 195 T N -2.970 111.608 114.554 0.041 0.000 2.708 195 T HA -0.107 4.243 4.350 0.000 0.000 0.266 195 T C 2.331 177.119 174.700 0.146 0.000 1.037 195 T CA 2.958 65.171 62.100 0.188 0.000 1.146 195 T CB -0.786 68.160 68.868 0.130 0.000 0.865 195 T HN 0.914 nan 8.240 nan 0.000 0.435 196 T N 1.314 115.902 114.554 0.058 0.000 2.708 196 T HA -0.017 4.333 4.350 0.000 0.000 0.266 196 T C 2.130 176.804 174.700 -0.043 0.000 1.037 196 T CA 1.508 63.592 62.100 -0.026 0.000 1.146 196 T CB -0.322 68.540 68.868 -0.010 0.000 0.865 196 T HN 0.337 nan 8.240 nan 0.000 0.435 197 R N 0.981 121.467 120.500 -0.022 0.000 2.081 197 R HA 0.108 4.448 4.340 0.000 0.000 0.235 197 R C 2.214 178.544 176.300 0.050 0.000 1.131 197 R CA 1.243 57.345 56.100 0.004 0.000 0.960 197 R CB -0.850 29.435 30.300 -0.025 0.000 0.856 197 R HN 0.455 nan 8.270 nan 0.000 0.436 198 I N -0.593 119.978 120.570 0.002 0.000 2.394 198 I HA -0.160 4.010 4.170 0.000 0.000 0.251 198 I C 1.260 177.418 176.117 0.070 0.000 1.136 198 I CA 1.039 62.365 61.300 0.043 0.000 1.425 198 I CB 0.146 38.118 38.000 -0.046 0.000 1.079 198 I HN 0.239 nan 8.210 nan 0.000 0.425 199 I N -0.428 120.164 120.570 0.037 0.000 3.783 199 I HA 0.095 4.265 4.170 0.000 0.000 0.310 199 I C 1.040 177.101 176.117 -0.093 0.000 1.274 199 I CA 0.384 61.665 61.300 -0.032 0.000 1.294 199 I CB 0.056 38.084 38.000 0.045 0.000 1.051 199 I HN -0.036 nan 8.210 nan 0.000 0.435 200 S N -0.354 115.295 115.700 -0.085 0.000 2.601 200 S HA 0.229 4.699 4.470 0.000 0.000 0.271 200 S C 1.240 175.803 174.600 -0.063 0.000 1.305 200 S CA -0.187 57.957 58.200 -0.093 0.000 1.022 200 S CB 1.358 64.504 63.200 -0.091 0.000 0.940 200 S HN 0.263 nan 8.310 nan 0.000 0.525 201 T N 1.832 116.348 114.554 -0.064 0.000 3.000 201 T HA 0.043 4.393 4.350 0.000 0.000 0.233 201 T C 0.563 175.224 174.700 -0.065 0.000 1.036 201 T CA 0.516 62.572 62.100 -0.072 0.000 1.333 201 T CB -0.437 68.390 68.868 -0.069 0.000 1.048 201 T HN 0.600 nan 8.240 nan 0.000 0.425 202 T N 3.546 118.066 114.554 -0.056 0.000 2.871 202 T HA 0.094 4.444 4.350 0.000 0.000 0.296 202 T C 0.746 175.420 174.700 -0.043 0.000 0.998 202 T CA 0.431 62.504 62.100 -0.045 0.000 1.162 202 T CB -0.169 68.678 68.868 -0.036 0.000 0.947 202 T HN 0.522 nan 8.240 nan 0.000 0.536 203 N N 0.699 119.376 118.700 -0.038 0.000 2.753 203 N HA -0.150 4.590 4.740 0.000 0.000 0.251 203 N C 0.169 175.669 175.510 -0.017 0.000 1.097 203 N CA 1.496 54.529 53.050 -0.027 0.000 0.786 203 N CB -1.048 37.428 38.487 -0.019 0.000 1.137 203 N HN 0.944 nan 8.380 nan 0.000 0.566 204 G N -3.194 105.589 108.800 -0.028 0.000 3.086 204 G HA2 0.572 4.532 3.960 0.000 0.000 0.282 204 G HA3 0.572 4.532 3.960 0.000 0.000 0.282 204 G C 0.967 175.849 174.900 -0.030 0.000 1.343 204 G CA -0.033 45.070 45.100 0.005 0.000 0.895 204 G HN 0.265 nan 8.290 nan 0.000 0.557 205 G N -0.953 107.867 108.800 0.034 0.000 2.470 205 G HA2 -0.062 3.898 3.960 0.000 0.000 0.220 205 G HA3 -0.062 3.898 3.960 0.000 0.000 0.220 205 G C 1.193 176.048 174.900 -0.075 0.000 1.121 205 G CA 0.842 45.893 45.100 -0.081 0.000 0.766 205 G HN 0.513 nan 8.290 nan 0.000 0.553 206 Q N -0.456 119.288 119.800 -0.095 0.000 2.246 206 Q HA 0.200 4.540 4.340 0.000 0.000 0.202 206 Q C 1.778 177.694 176.000 -0.139 0.000 0.883 206 Q CA -0.199 55.474 55.803 -0.217 0.000 0.952 206 Q CB 0.449 29.005 28.738 -0.304 0.000 1.078 206 Q HN 0.608 nan 8.270 nan 0.000 0.493 207 E N 1.172 121.311 120.200 -0.103 0.000 2.077 207 E HA -0.102 4.248 4.350 0.000 0.000 0.193 207 E C 0.122 176.658 176.600 -0.107 0.000 0.989 207 E CA 0.820 57.162 56.400 -0.097 0.000 0.800 207 E CB 0.474 30.113 29.700 -0.101 0.000 0.746 207 E HN 0.184 nan 8.360 nan 0.000 0.452 208 R N -0.854 119.561 120.500 -0.142 0.000 2.836 208 R HA 0.489 4.829 4.340 0.000 0.000 0.269 208 R C -0.970 175.112 176.300 -0.363 0.000 1.010 208 R CA -0.759 55.170 56.100 -0.286 0.000 0.930 208 R CB 1.994 32.099 30.300 -0.325 0.000 1.218 208 R HN -0.170 nan 8.270 nan 0.000 0.473 209 K N 0.567 120.574 120.400 -0.654 0.000 2.444 209 K HA 0.419 4.739 4.320 0.000 0.000 0.252 209 K C -1.162 175.103 176.600 -0.558 0.000 0.993 209 K CA -0.731 55.181 56.287 -0.625 0.000 0.847 209 K CB 1.647 33.835 32.500 -0.520 0.000 1.340 209 K HN 0.233 nan 8.250 nan 0.000 0.446 210 F N 1.096 120.973 119.950 -0.121 0.000 2.412 210 F HA 0.138 4.665 4.527 0.000 0.000 0.348 210 F C 0.532 176.389 175.800 0.096 0.000 1.102 210 F CA -0.873 57.110 58.000 -0.027 0.000 1.196 210 F CB 0.900 39.861 39.000 -0.066 0.000 1.144 210 F HN 0.009 nan 8.300 nan 0.000 0.541 211 V N 3.645 123.764 119.914 0.341 0.000 2.485 211 V HA 0.247 4.367 4.120 0.000 0.000 0.287 211 V C 0.928 176.933 176.094 -0.148 0.000 1.022 211 V CA 1.150 63.576 62.300 0.209 0.000 1.067 211 V CB 0.158 32.076 31.823 0.159 0.000 0.967 211 V HN 1.106 nan 8.190 nan 0.000 0.479 212 G N 3.293 111.617 108.800 -0.793 0.000 2.217 212 G HA2 0.143 4.103 3.960 0.000 0.000 0.246 212 G HA3 0.143 4.103 3.960 0.000 0.000 0.246 212 G C 0.776 175.139 174.900 -0.895 0.000 0.990 212 G CA -0.101 44.242 45.100 -1.263 0.000 0.627 212 G HN 2.416 nan 8.290 nan 0.000 0.522 213 G N -1.446 107.126 108.800 -0.379 0.000 2.617 213 G HA2 0.385 4.345 3.960 0.000 0.000 0.686 213 G HA3 0.385 4.345 3.960 0.000 0.000 0.686 213 G C 0.774 175.673 174.900 -0.002 0.000 1.214 213 G CA 0.851 45.916 45.100 -0.059 0.000 0.796 213 G HN 1.867 nan 8.290 nan 0.000 0.654 214 S N -0.042 115.709 115.700 0.086 0.000 2.489 214 S HA 0.150 4.620 4.470 0.000 0.000 0.228 214 S C 2.490 177.069 174.600 -0.036 0.000 0.995 214 S CA 1.589 59.832 58.200 0.071 0.000 0.934 214 S CB 0.064 63.376 63.200 0.187 0.000 0.771 214 S HN 2.143 nan 8.310 nan 0.000 0.522 215 G N 1.465 110.260 108.800 -0.009 0.000 2.470 215 G HA2 -0.168 3.792 3.960 0.000 0.000 0.220 215 G HA3 -0.168 3.792 3.960 0.000 0.000 0.220 215 G C 1.432 176.301 174.900 -0.051 0.000 1.121 215 G CA 0.584 45.686 45.100 0.004 0.000 0.766 215 G HN 0.640 nan 8.290 nan 0.000 0.553 216 Q N -0.167 119.567 119.800 -0.110 0.000 2.234 216 Q HA -0.065 4.275 4.340 0.000 0.000 0.206 216 Q C 2.697 178.599 176.000 -0.163 0.000 0.980 216 Q CA 0.970 56.689 55.803 -0.140 0.000 0.869 216 Q CB -0.197 28.431 28.738 -0.182 0.000 0.912 216 Q HN 0.433 nan 8.270 nan 0.000 0.436 217 V N 0.257 120.045 119.914 -0.210 0.000 2.237 217 V HA -0.282 3.838 4.120 0.000 0.000 0.245 217 V C 2.155 178.181 176.094 -0.113 0.000 1.046 217 V CA 2.127 64.302 62.300 -0.208 0.000 1.007 217 V CB -0.583 31.097 31.823 -0.238 0.000 0.638 217 V HN 0.299 nan 8.190 nan 0.000 0.445 218 S N -0.710 114.948 115.700 -0.070 0.000 2.383 218 S HA -0.205 4.265 4.470 0.000 0.000 0.227 218 S C 1.915 176.492 174.600 -0.038 0.000 1.026 218 S CA 1.537 59.715 58.200 -0.037 0.000 0.981 218 S CB -0.278 62.921 63.200 -0.001 0.000 0.818 218 S HN 0.680 nan 8.310 nan 0.000 0.472 219 E N 0.923 121.100 120.200 -0.039 0.000 2.077 219 E HA -0.104 4.246 4.350 0.000 0.000 0.193 219 E C 2.367 178.937 176.600 -0.050 0.000 0.989 219 E CA 0.882 57.261 56.400 -0.035 0.000 0.800 219 E CB -0.083 29.598 29.700 -0.033 0.000 0.746 219 E HN 0.354 nan 8.360 nan 0.000 0.452 220 R N 0.231 120.690 120.500 -0.069 0.000 2.115 220 R HA -0.044 4.296 4.340 0.000 0.000 0.230 220 R C 2.344 178.605 176.300 -0.065 0.000 1.111 220 R CA 0.856 56.915 56.100 -0.069 0.000 0.976 220 R CB -0.177 30.072 30.300 -0.085 0.000 0.870 220 R HN 0.215 nan 8.270 nan 0.000 0.445 221 I N 0.607 121.136 120.570 -0.067 0.000 2.252 221 I HA -0.284 3.886 4.170 0.000 0.000 0.245 221 I C 2.658 178.730 176.117 -0.075 0.000 1.102 221 I CA 1.113 62.373 61.300 -0.067 0.000 1.385 221 I CB -0.190 37.775 38.000 -0.060 0.000 1.064 221 I HN 0.202 nan 8.210 nan 0.000 0.414 222 M N 0.900 120.463 119.600 -0.062 0.000 2.108 222 M HA -0.268 4.213 4.480 0.000 0.000 0.261 222 M C 1.661 177.923 176.300 -0.064 0.000 1.066 222 M CA 2.002 57.266 55.300 -0.061 0.000 1.107 222 M CB -0.223 32.352 32.600 -0.042 0.000 1.356 222 M HN 0.155 nan 8.290 nan 0.000 0.406 223 D N 0.656 121.023 120.400 -0.055 0.000 2.123 223 D HA -0.160 4.480 4.640 0.000 0.000 0.196 223 D C 2.035 178.300 176.300 -0.059 0.000 0.992 223 D CA 1.459 55.430 54.000 -0.049 0.000 0.833 223 D CB -0.517 40.259 40.800 -0.041 0.000 0.954 223 D HN 0.435 nan 8.370 nan 0.000 0.455 224 L N 0.059 121.239 121.223 -0.072 0.000 2.131 224 L HA -0.107 4.233 4.340 0.000 0.000 0.210 224 L C 2.336 179.105 176.870 -0.167 0.000 1.092 224 L CA 0.638 55.426 54.840 -0.085 0.000 0.759 224 L CB -0.213 41.800 42.059 -0.077 0.000 0.903 224 L HN 0.027 nan 8.230 nan 0.000 0.435 225 L N -1.177 119.927 121.223 -0.199 0.000 2.446 225 L HA 0.161 4.501 4.340 0.000 0.000 0.219 225 L C 1.626 178.401 176.870 -0.159 0.000 1.116 225 L CA 0.344 55.013 54.840 -0.285 0.000 0.844 225 L CB -0.597 41.320 42.059 -0.236 0.000 0.970 225 L HN 0.422 nan 8.230 nan 0.000 0.457 226 G N 1.949 110.693 108.800 -0.094 0.000 2.611 226 G HA2 -0.445 3.515 3.960 0.000 0.000 0.301 226 G HA3 -0.445 3.515 3.960 0.000 0.000 0.301 226 G C 0.432 175.309 174.900 -0.039 0.000 1.233 226 G CA 0.513 45.583 45.100 -0.050 0.000 0.993 226 G HN 0.523 nan 8.290 nan 0.000 0.553 227 D N 0.717 121.106 120.400 -0.019 0.000 2.352 227 D HA 0.077 4.717 4.640 0.000 0.000 0.232 227 D C 1.999 178.298 176.300 -0.002 0.000 1.055 227 D CA 0.601 54.598 54.000 -0.005 0.000 0.891 227 D CB -0.264 40.542 40.800 0.009 0.000 0.897 227 D HN 0.613 nan 8.370 nan 0.000 0.529 228 R N -0.170 120.318 120.500 -0.020 0.000 2.189 228 R HA 0.068 4.408 4.340 0.000 0.000 0.223 228 R C 0.246 176.522 176.300 -0.040 0.000 1.092 228 R CA 0.357 56.446 56.100 -0.020 0.000 0.989 228 R CB 0.191 30.466 30.300 -0.040 0.000 0.876 228 R HN 0.104 nan 8.270 nan 0.000 0.457 229 V N 3.001 122.886 119.914 -0.048 0.000 2.432 229 V HA 0.099 4.219 4.120 0.000 0.000 0.271 229 V C -0.090 175.978 176.094 -0.044 0.000 1.046 229 V CA -0.301 61.965 62.300 -0.056 0.000 0.945 229 V CB 1.277 33.068 31.823 -0.053 0.000 0.992 229 V HN 0.041 nan 8.190 nan 0.000 0.471 230 K N 6.558 126.918 120.400 -0.066 0.000 2.334 230 K HA 0.536 4.856 4.320 0.000 0.000 0.265 230 K C -0.654 175.911 176.600 -0.059 0.000 1.039 230 K CA -0.308 55.951 56.287 -0.047 0.000 0.920 230 K CB 1.770 34.233 32.500 -0.061 0.000 1.160 230 K HN 0.500 nan 8.250 nan 0.000 0.451 231 L N 1.506 122.706 121.223 -0.038 0.000 2.421 231 L HA 0.178 4.518 4.340 0.000 0.000 0.263 231 L C 0.732 177.576 176.870 -0.044 0.000 1.122 231 L CA -0.241 54.572 54.840 -0.045 0.000 0.804 231 L CB 0.225 42.267 42.059 -0.028 0.000 1.150 231 L HN 0.689 nan 8.230 nan 0.000 0.457 232 E N 0.490 120.650 120.200 -0.066 0.000 2.389 232 E HA -0.233 4.117 4.350 0.000 0.000 0.243 232 E C -0.496 176.065 176.600 -0.066 0.000 1.154 232 E CA 0.301 56.660 56.400 -0.067 0.000 0.723 232 E CB -0.818 28.864 29.700 -0.031 0.000 1.261 232 E HN 0.367 nan 8.360 nan 0.000 0.390 233 R N 0.188 120.631 120.500 -0.095 0.000 2.860 233 R HA 0.242 4.582 4.340 0.000 0.000 0.282 233 R C -2.685 173.535 176.300 -0.133 0.000 1.408 233 R CA -1.976 54.073 56.100 -0.085 0.000 1.636 233 R CB 0.550 30.801 30.300 -0.081 0.000 1.187 233 R HN 0.001 nan 8.270 nan 0.000 0.611 234 P HA 0.005 nan 4.420 nan 0.000 0.271 234 P C -0.329 176.931 177.300 -0.068 0.000 1.226 234 P CA -0.140 62.855 63.100 -0.176 0.000 0.765 234 P CB 0.924 32.541 31.700 -0.139 0.000 0.835 235 V N 5.567 125.451 119.914 -0.051 0.000 2.530 235 V HA 0.078 4.198 4.120 0.000 0.000 0.282 235 V C 1.685 177.792 176.094 0.022 0.000 1.048 235 V CA 0.317 62.608 62.300 -0.016 0.000 0.997 235 V CB 0.450 32.254 31.823 -0.032 0.000 0.987 235 V HN 0.530 nan 8.190 nan 0.000 0.477 236 I N 2.042 122.637 120.570 0.042 0.000 4.181 236 I HA 0.449 4.619 4.170 0.000 0.000 0.331 236 I C -0.008 176.194 176.117 0.142 0.000 1.312 236 I CA 0.119 61.470 61.300 0.085 0.000 1.146 236 I CB 0.551 38.578 38.000 0.047 0.000 1.074 236 I HN 0.512 nan 8.210 nan 0.000 0.402 237 Y N 1.671 121.912 120.300 -0.098 0.000 2.424 237 Y HA 0.661 5.211 4.550 0.000 0.000 0.323 237 Y C -2.037 173.783 175.900 -0.133 0.000 1.174 237 Y CA -1.570 56.455 58.100 -0.124 0.000 1.060 237 Y CB 1.451 39.871 38.460 -0.067 0.000 1.314 237 Y HN -0.006 nan 8.280 nan 0.000 0.439 238 I N 5.775 125.938 120.570 -0.679 0.000 2.499 238 I HA 0.336 4.506 4.170 0.000 0.000 0.288 238 I C -1.472 174.275 176.117 -0.618 0.000 1.048 238 I CA -0.703 60.289 61.300 -0.514 0.000 1.062 238 I CB 1.976 39.831 38.000 -0.242 0.000 1.238 238 I HN 0.542 nan 8.210 nan 0.000 0.426 239 D N 5.950 126.057 120.400 -0.489 0.000 2.549 239 D HA 0.272 4.912 4.640 0.000 0.000 0.251 239 D C -0.371 175.857 176.300 -0.120 0.000 1.153 239 D CA -0.256 53.539 54.000 -0.342 0.000 0.861 239 D CB 1.690 42.295 40.800 -0.325 0.000 1.207 239 D HN 0.499 nan 8.370 nan 0.000 0.543 240 Q N 1.794 121.563 119.800 -0.051 0.000 2.172 240 Q HA 0.083 4.423 4.340 0.000 0.000 0.217 240 Q C 1.109 177.106 176.000 -0.005 0.000 0.832 240 Q CA 0.026 55.818 55.803 -0.018 0.000 1.010 240 Q CB 0.803 29.545 28.738 0.006 0.000 1.133 240 Q HN 0.600 nan 8.270 nan 0.000 0.489 241 T N -2.510 112.045 114.554 0.002 0.000 3.085 241 T HA 0.107 4.457 4.350 0.000 0.000 0.263 241 T C 0.898 175.604 174.700 0.009 0.000 1.127 241 T CA 0.235 62.344 62.100 0.016 0.000 1.103 241 T CB 0.266 69.155 68.868 0.033 0.000 0.921 241 T HN 0.076 nan 8.240 nan 0.000 0.510 242 R N 0.077 120.577 120.500 0.001 0.000 3.006 242 R HA 0.493 4.833 4.340 0.000 0.000 0.235 242 R C 1.270 177.560 176.300 -0.017 0.000 1.362 242 R CA -0.833 55.265 56.100 -0.003 0.000 1.067 242 R CB 0.880 31.181 30.300 0.002 0.000 1.396 242 R HN 0.070 nan 8.270 nan 0.000 0.504 243 E N 0.690 120.879 120.200 -0.018 0.000 2.058 243 E HA -0.139 4.211 4.350 0.000 0.000 0.194 243 E C -0.243 176.325 176.600 -0.053 0.000 0.997 243 E CA 1.217 57.598 56.400 -0.031 0.000 0.801 243 E CB 0.176 29.861 29.700 -0.024 0.000 0.746 243 E HN 0.276 nan 8.360 nan 0.000 0.450 244 N N 0.129 118.802 118.700 -0.046 0.000 2.456 244 N HA 0.167 4.907 4.740 0.000 0.000 0.296 244 N C -0.919 174.562 175.510 -0.047 0.000 1.102 244 N CA -0.372 52.643 53.050 -0.059 0.000 0.924 244 N CB 2.018 40.482 38.487 -0.039 0.000 1.186 244 N HN -0.156 nan 8.380 nan 0.000 0.492 245 V N 2.060 121.939 119.914 -0.059 0.000 2.655 245 V HA 0.124 4.244 4.120 0.000 0.000 0.300 245 V C 0.540 176.624 176.094 -0.017 0.000 1.044 245 V CA -0.153 62.123 62.300 -0.040 0.000 1.095 245 V CB 0.081 31.882 31.823 -0.036 0.000 0.952 245 V HN 0.365 nan 8.190 nan 0.000 0.485 246 L N 5.426 126.632 121.223 -0.028 0.000 2.296 246 L HA 0.588 4.928 4.340 0.000 0.000 0.286 246 L C -0.646 176.212 176.870 -0.020 0.000 1.023 246 L CA -0.572 54.269 54.840 0.000 0.000 0.812 246 L CB 1.816 43.885 42.059 0.017 0.000 1.223 246 L HN 0.377 nan 8.230 nan 0.000 0.421 247 V N 2.778 122.726 119.914 0.057 0.000 2.407 247 V HA 0.347 4.467 4.120 0.000 0.000 0.291 247 V C -0.215 175.976 176.094 0.161 0.000 1.018 247 V CA -0.632 61.705 62.300 0.062 0.000 0.842 247 V CB 1.759 33.614 31.823 0.054 0.000 0.996 247 V HN 0.720 nan 8.190 nan 0.000 0.426 248 E N 2.747 123.040 120.200 0.155 0.000 2.191 248 E HA 0.647 4.997 4.350 0.000 0.000 0.274 248 E C -0.277 176.398 176.600 0.125 0.000 0.948 248 E CA -0.443 56.066 56.400 0.181 0.000 0.802 248 E CB 1.825 31.662 29.700 0.228 0.000 1.137 248 E HN 0.844 nan 8.360 nan 0.000 0.397 249 T N 0.809 115.430 114.554 0.111 0.000 2.952 249 T HA 0.203 4.553 4.350 0.000 0.000 0.286 249 T C 0.918 175.586 174.700 -0.052 0.000 1.024 249 T CA -0.843 61.281 62.100 0.040 0.000 1.029 249 T CB 1.153 70.064 68.868 0.072 0.000 1.094 249 T HN 0.416 nan 8.240 nan 0.000 0.515 250 L N 1.630 122.798 121.223 -0.091 0.000 2.083 250 L HA 0.028 4.369 4.340 0.000 0.000 0.209 250 L C 1.790 178.402 176.870 -0.430 0.000 1.083 250 L CA 2.049 56.776 54.840 -0.189 0.000 0.752 250 L CB -1.104 40.899 42.059 -0.093 0.000 0.899 250 L HN 0.938 nan 8.230 nan 0.000 0.433 251 N N -2.320 116.219 118.700 -0.268 0.000 2.362 251 N HA -0.060 4.680 4.740 0.000 0.000 0.211 251 N C -0.504 174.947 175.510 -0.098 0.000 1.170 251 N CA 0.002 52.923 53.050 -0.215 0.000 0.828 251 N CB -0.342 38.134 38.487 -0.019 0.000 1.034 251 N HN 0.354 nan 8.380 nan 0.000 0.475 252 H N -1.364 117.722 119.070 0.027 0.000 2.889 252 H HA -0.120 4.436 4.556 0.000 0.000 0.324 252 H C -1.042 174.293 175.328 0.011 0.000 1.274 252 H CA 0.732 56.787 56.048 0.013 0.000 1.176 252 H CB -2.019 27.742 29.762 -0.003 0.000 1.479 252 H HN 0.691 nan 8.280 nan 0.000 0.438 253 E N 0.153 120.406 120.200 0.089 0.000 2.277 253 E HA 0.593 4.943 4.350 0.000 0.000 0.266 253 E C -0.200 176.406 176.600 0.009 0.000 0.901 253 E CA -1.167 55.248 56.400 0.025 0.000 0.782 253 E CB 2.165 31.901 29.700 0.061 0.000 1.228 253 E HN 0.059 nan 8.360 nan 0.000 0.424 254 M N 2.336 121.842 119.600 -0.157 0.000 2.311 254 M HA 0.374 4.854 4.480 0.000 0.000 0.325 254 M C -2.043 174.051 176.300 -0.343 0.000 1.061 254 M CA -0.422 54.817 55.300 -0.103 0.000 0.957 254 M CB 0.864 33.439 32.600 -0.042 0.000 1.646 254 M HN 0.403 nan 8.290 nan 0.000 0.434 255 Y N 1.698 122.007 120.300 0.015 0.000 2.409 255 Y HA 0.597 5.147 4.550 0.000 0.000 0.339 255 Y C -0.324 175.577 175.900 0.003 0.000 1.033 255 Y CA -0.707 57.397 58.100 0.008 0.000 1.094 255 Y CB 1.573 40.035 38.460 0.004 0.000 1.210 255 Y HN 0.595 nan 8.280 nan 0.000 0.456 256 E N 1.874 122.143 120.200 0.115 0.000 2.199 256 E HA 0.818 5.168 4.350 0.000 0.000 0.265 256 E C -1.559 175.076 176.600 0.059 0.000 0.882 256 E CA -0.687 55.749 56.400 0.060 0.000 0.759 256 E CB 1.161 30.873 29.700 0.020 0.000 1.148 256 E HN 0.785 nan 8.360 nan 0.000 0.412 257 A N 3.873 126.712 122.820 0.031 0.000 2.566 257 A HA 0.386 4.706 4.320 0.000 0.000 0.292 257 A C 0.022 177.576 177.584 -0.049 0.000 1.112 257 A CA -0.644 51.405 52.037 0.020 0.000 0.707 257 A CB 1.580 20.610 19.000 0.050 0.000 1.302 257 A HN 0.710 nan 8.150 nan 0.000 0.409 258 K N -0.839 119.516 120.400 -0.076 0.000 2.076 258 K HA 0.087 4.407 4.320 0.000 0.000 0.204 258 K C -0.656 175.591 176.600 -0.588 0.000 1.051 258 K CA 1.521 57.626 56.287 -0.303 0.000 0.949 258 K CB -0.089 32.278 32.500 -0.221 0.000 0.726 258 K HN 0.615 nan 8.250 nan 0.000 0.443 259 Y N -1.350 118.970 120.300 0.034 0.000 2.615 259 Y HA 0.412 4.962 4.550 0.000 0.000 0.341 259 Y C -0.635 175.290 175.900 0.041 0.000 1.089 259 Y CA -1.313 56.823 58.100 0.060 0.000 1.049 259 Y CB 1.768 40.260 38.460 0.054 0.000 1.296 259 Y HN -0.425 nan 8.280 nan 0.000 0.470 260 V N 2.972 123.022 119.914 0.226 0.000 2.735 260 V HA 0.479 4.599 4.120 0.000 0.000 0.310 260 V C -0.648 175.492 176.094 0.077 0.000 1.061 260 V CA -0.880 61.481 62.300 0.101 0.000 0.913 260 V CB 2.124 33.973 31.823 0.044 0.000 1.005 260 V HN 0.543 nan 8.190 nan 0.000 0.428 261 I N 2.774 123.360 120.570 0.027 0.000 2.339 261 I HA 0.341 4.511 4.170 0.000 0.000 0.290 261 I C 0.301 176.404 176.117 -0.023 0.000 0.994 261 I CA -0.171 61.124 61.300 -0.009 0.000 1.191 261 I CB 1.871 39.874 38.000 0.006 0.000 1.343 261 I HN 0.600 nan 8.210 nan 0.000 0.458 262 S N 5.395 121.051 115.700 -0.073 0.000 2.400 262 S HA 0.503 4.973 4.470 0.000 0.000 0.295 262 S C 0.434 175.115 174.600 0.134 0.000 1.113 262 S CA -0.475 57.759 58.200 0.056 0.000 1.064 262 S CB 0.502 63.785 63.200 0.138 0.000 0.990 262 S HN 0.718 nan 8.310 nan 0.000 0.502 263 A N 6.000 128.886 122.820 0.110 0.000 2.965 263 A HA 0.467 4.787 4.320 0.000 0.000 0.304 263 A C 0.320 177.980 177.584 0.127 0.000 1.214 263 A CA -0.695 51.413 52.037 0.118 0.000 0.977 263 A CB -0.566 18.479 19.000 0.075 0.000 1.127 263 A HN 0.908 nan 8.150 nan 0.000 0.572 264 I N -4.034 116.630 120.570 0.156 0.000 2.797 264 I HA 0.689 4.859 4.170 0.000 0.000 0.307 264 I C -2.926 173.285 176.117 0.156 0.000 1.033 264 I CA -3.102 58.287 61.300 0.148 0.000 1.071 264 I CB 1.501 39.590 38.000 0.148 0.000 1.255 264 I HN -0.159 nan 8.210 nan 0.000 0.445 265 P HA 0.152 nan 4.420 nan 0.000 0.265 265 P C -2.175 175.179 177.300 0.090 0.000 1.187 265 P CA -0.685 62.482 63.100 0.113 0.000 0.766 265 P CB 0.017 31.771 31.700 0.090 0.000 0.820 266 P HA -0.205 nan 4.420 nan 0.000 0.215 266 P C 1.626 178.911 177.300 -0.026 0.000 1.157 266 P CA 1.835 64.940 63.100 0.009 0.000 0.874 266 P CB -0.272 31.402 31.700 -0.044 0.000 0.790 267 T N -1.125 113.387 114.554 -0.069 0.000 2.881 267 T HA -0.084 4.266 4.350 0.000 0.000 0.270 267 T C 1.526 176.218 174.700 -0.013 0.000 1.068 267 T CA 0.785 62.836 62.100 -0.081 0.000 1.131 267 T CB -0.839 67.948 68.868 -0.136 0.000 0.871 267 T HN -0.038 nan 8.240 nan 0.000 0.479 268 L N 0.426 121.669 121.223 0.035 0.000 2.456 268 L HA 0.087 4.427 4.340 0.000 0.000 0.224 268 L C 2.813 179.756 176.870 0.122 0.000 1.148 268 L CA 0.754 55.642 54.840 0.081 0.000 0.825 268 L CB -0.849 41.283 42.059 0.122 0.000 0.937 268 L HN 0.352 nan 8.230 nan 0.000 0.450 269 G N -0.018 108.865 108.800 0.138 0.000 2.499 269 G HA2 -0.268 3.692 3.960 0.000 0.000 0.221 269 G HA3 -0.268 3.692 3.960 0.000 0.000 0.221 269 G C 1.597 176.638 174.900 0.235 0.000 1.109 269 G CA 0.319 45.560 45.100 0.235 0.000 0.749 269 G HN 0.161 nan 8.290 nan 0.000 0.568 270 M N 0.382 120.046 119.600 0.108 0.000 2.358 270 M HA 0.008 4.488 4.480 0.000 0.000 0.264 270 M C 2.092 178.407 176.300 0.024 0.000 1.064 270 M CA 0.977 56.309 55.300 0.054 0.000 1.093 270 M CB -0.511 32.084 32.600 -0.009 0.000 1.401 270 M HN 0.241 nan 8.290 nan 0.000 0.440 271 K N 0.046 120.482 120.400 0.060 0.000 2.525 271 K HA 0.156 4.476 4.320 0.000 0.000 0.192 271 K C 0.387 177.030 176.600 0.071 0.000 1.029 271 K CA 0.428 56.756 56.287 0.068 0.000 1.029 271 K CB 0.180 32.752 32.500 0.121 0.000 0.814 271 K HN 0.325 nan 8.250 nan 0.000 0.503 272 I N 1.215 121.788 120.570 0.005 0.000 2.404 272 I HA 0.135 4.305 4.170 0.000 0.000 0.293 272 I C 0.113 176.064 176.117 -0.276 0.000 0.992 272 I CA -0.754 60.451 61.300 -0.158 0.000 1.149 272 I CB 1.341 39.093 38.000 -0.414 0.000 1.315 272 I HN 0.035 nan 8.210 nan 0.000 0.446 273 H N 6.012 124.968 119.070 -0.191 0.000 2.562 273 H HA 0.358 4.914 4.556 0.000 0.000 0.314 273 H C -1.106 174.135 175.328 -0.146 0.000 1.079 273 H CA -0.227 55.815 56.048 -0.010 0.000 1.349 273 H CB 1.226 31.067 29.762 0.132 0.000 1.432 273 H HN 0.326 nan 8.280 nan 0.000 0.479 274 F N 1.917 121.972 119.950 0.175 0.000 2.450 274 F HA 0.177 4.704 4.527 0.000 0.000 0.332 274 F C 0.590 176.436 175.800 0.077 0.000 1.093 274 F CA -0.726 57.309 58.000 0.059 0.000 1.003 274 F CB 1.400 40.420 39.000 0.033 0.000 1.151 274 F HN 0.471 nan 8.300 nan 0.000 0.474 275 N N 4.183 122.974 118.700 0.151 0.000 2.480 275 N HA 0.406 5.146 4.740 0.000 0.000 0.289 275 N C -3.038 172.518 175.510 0.077 0.000 1.073 275 N CA -2.344 50.784 53.050 0.131 0.000 0.885 275 N CB 2.173 40.758 38.487 0.163 0.000 1.421 275 N HN 0.076 nan 8.380 nan 0.000 0.503 276 P HA 0.292 nan 4.420 nan 0.000 0.274 276 P C -2.632 174.742 177.300 0.123 0.000 1.260 276 P CA -0.862 62.295 63.100 0.095 0.000 0.793 276 P CB -0.435 31.301 31.700 0.059 0.000 1.048 277 P HA 0.113 nan 4.420 nan 0.000 0.269 277 P C 0.080 177.394 177.300 0.025 0.000 1.215 277 P CA 0.146 63.306 63.100 0.101 0.000 0.780 277 P CB 0.182 31.924 31.700 0.069 0.000 0.898 278 L N 3.161 124.351 121.223 -0.055 0.000 2.483 278 L HA 0.135 4.475 4.340 0.000 0.000 0.275 278 L C -1.654 175.163 176.870 -0.089 0.000 1.220 278 L CA -1.563 53.174 54.840 -0.171 0.000 0.833 278 L CB -0.717 41.151 42.059 -0.319 0.000 1.102 278 L HN 0.304 nan 8.230 nan 0.000 0.490 279 P HA -0.054 nan 4.420 nan 0.000 0.268 279 P C 0.414 177.682 177.300 -0.053 0.000 1.208 279 P CA -0.273 62.794 63.100 -0.055 0.000 0.777 279 P CB 0.426 32.092 31.700 -0.056 0.000 0.875 280 M N 1.037 120.618 119.600 -0.031 0.000 2.149 280 M HA -0.168 4.312 4.480 0.000 0.000 0.261 280 M C 1.408 177.714 176.300 0.009 0.000 1.064 280 M CA 2.410 57.702 55.300 -0.013 0.000 1.102 280 M CB -1.049 31.547 32.600 -0.006 0.000 1.369 280 M HN 0.083 nan 8.290 nan 0.000 0.408 281 M N 0.101 119.702 119.600 0.002 0.000 2.132 281 M HA -0.055 4.425 4.480 0.000 0.000 0.263 281 M C 2.538 178.876 176.300 0.064 0.000 1.065 281 M CA 1.811 57.148 55.300 0.063 0.000 1.122 281 M CB -1.225 31.358 32.600 -0.028 0.000 1.365 281 M HN 0.523 nan 8.290 nan 0.000 0.411 282 R N 0.362 120.831 120.500 -0.053 0.000 2.092 282 R HA -0.164 4.176 4.340 0.000 0.000 0.231 282 R C 1.999 178.215 176.300 -0.141 0.000 1.119 282 R CA 1.679 57.700 56.100 -0.131 0.000 0.970 282 R CB -0.207 29.963 30.300 -0.217 0.000 0.864 282 R HN 0.341 nan 8.270 nan 0.000 0.440 283 N N 0.516 119.150 118.700 -0.111 0.000 2.061 283 N HA -0.228 4.512 4.740 0.000 0.000 0.193 283 N C 1.618 177.064 175.510 -0.106 0.000 1.030 283 N CA 1.952 54.944 53.050 -0.098 0.000 0.856 283 N CB 0.000 38.452 38.487 -0.058 0.000 1.023 283 N HN 0.334 nan 8.380 nan 0.000 0.424 284 Q N -0.970 118.776 119.800 -0.090 0.000 2.137 284 Q HA -0.076 4.264 4.340 0.000 0.000 0.198 284 Q C 2.015 177.773 176.000 -0.403 0.000 0.960 284 Q CA 0.783 56.477 55.803 -0.181 0.000 0.847 284 Q CB -0.168 28.530 28.738 -0.066 0.000 0.915 284 Q HN 0.505 nan 8.270 nan 0.000 0.448 285 M N 1.666 121.028 119.600 -0.397 0.000 2.106 285 M HA -0.169 4.311 4.480 0.000 0.000 0.259 285 M C 1.983 178.061 176.300 -0.371 0.000 1.068 285 M CA 1.657 56.667 55.300 -0.484 0.000 1.100 285 M CB -0.447 32.041 32.600 -0.186 0.000 1.351 285 M HN 0.305 nan 8.290 nan 0.000 0.404 286 I N -1.732 118.679 120.570 -0.264 0.000 3.444 286 I HA -0.049 4.121 4.170 0.000 0.000 0.287 286 I C 1.489 177.481 176.117 -0.208 0.000 1.302 286 I CA 1.291 62.463 61.300 -0.212 0.000 1.368 286 I CB -0.952 36.966 38.000 -0.136 0.000 1.048 286 I HN 0.297 nan 8.210 nan 0.000 0.487 287 T N -2.486 111.924 114.554 -0.241 0.000 3.069 287 T HA 0.287 4.637 4.350 0.000 0.000 0.252 287 T C 1.474 176.011 174.700 -0.272 0.000 1.053 287 T CA -0.208 61.760 62.100 -0.219 0.000 0.964 287 T CB -0.042 68.719 68.868 -0.178 0.000 1.005 287 T HN 0.413 nan 8.240 nan 0.000 0.532 288 R N 0.893 121.174 120.500 -0.366 0.000 2.508 288 R HA 0.323 4.663 4.340 0.000 0.000 0.300 288 R C -0.089 175.905 176.300 -0.510 0.000 0.970 288 R CA 0.016 55.873 56.100 -0.405 0.000 1.102 288 R CB 1.381 31.387 30.300 -0.490 0.000 1.246 288 R HN 0.431 nan 8.270 nan 0.000 0.539 289 V N -0.724 118.865 119.914 -0.542 0.000 2.383 289 V HA 0.466 4.586 4.120 0.000 0.000 0.261 289 V C -2.684 173.050 176.094 -0.600 0.000 0.987 289 V CA -2.263 59.598 62.300 -0.732 0.000 0.853 289 V CB 0.742 32.099 31.823 -0.777 0.000 1.095 289 V HN -0.106 nan 8.190 nan 0.000 0.461 290 P HA 0.494 nan 4.420 nan 0.000 0.276 290 P C -0.654 176.302 177.300 -0.574 0.000 1.252 290 P CA -0.307 62.447 63.100 -0.576 0.000 0.802 290 P CB 2.014 33.341 31.700 -0.622 0.000 1.035 291 L N 0.473 121.543 121.223 -0.254 0.000 2.358 291 L HA 0.585 4.925 4.340 0.000 0.000 0.268 291 L C 1.485 178.404 176.870 0.080 0.000 1.032 291 L CA -0.136 54.658 54.840 -0.077 0.000 0.805 291 L CB 0.453 42.510 42.059 -0.004 0.000 1.253 291 L HN 0.485 nan 8.230 nan 0.000 0.452 292 G N -0.323 108.566 108.800 0.147 0.000 2.553 292 G HA2 0.466 4.427 3.960 0.000 0.000 0.278 292 G HA3 0.466 4.427 3.960 0.000 0.000 0.278 292 G C -0.874 174.040 174.900 0.023 0.000 1.349 292 G CA -0.374 44.792 45.100 0.110 0.000 1.037 292 G HN 0.497 nan 8.290 nan 0.000 0.508 293 S N -1.471 114.212 115.700 -0.029 0.000 2.561 293 S HA 0.603 5.073 4.470 0.000 0.000 0.303 293 S C -1.071 173.516 174.600 -0.021 0.000 1.110 293 S CA -0.513 57.694 58.200 0.010 0.000 1.034 293 S CB 1.712 64.931 63.200 0.032 0.000 1.010 293 S HN 0.836 nan 8.310 nan 0.000 0.482 294 V N 4.574 124.527 119.914 0.065 0.000 3.077 294 V HA 0.583 4.704 4.120 0.000 0.000 0.299 294 V C -1.979 174.271 176.094 0.260 0.000 1.276 294 V CA -0.770 61.599 62.300 0.115 0.000 0.993 294 V CB 1.798 33.627 31.823 0.011 0.000 1.076 294 V HN 0.891 nan 8.190 nan 0.000 0.434 295 I N 5.096 125.828 120.570 0.271 0.000 2.406 295 I HA 0.524 4.694 4.170 0.000 0.000 0.290 295 I C -0.286 176.058 176.117 0.379 0.000 0.999 295 I CA -0.656 60.818 61.300 0.291 0.000 1.124 295 I CB 1.762 39.874 38.000 0.187 0.000 1.289 295 I HN 0.529 nan 8.210 nan 0.000 0.441 296 K N 5.883 126.538 120.400 0.424 0.000 2.211 296 K HA 0.585 4.905 4.320 0.000 0.000 0.275 296 K C -1.452 175.256 176.600 0.180 0.000 1.024 296 K CA -0.294 56.219 56.287 0.376 0.000 0.887 296 K CB 0.963 33.758 32.500 0.491 0.000 1.084 296 K HN 0.706 nan 8.250 nan 0.000 0.463 297 C N 5.403 124.766 119.300 0.103 0.000 2.441 297 C HA 0.563 5.023 4.460 0.000 0.000 0.318 297 C C -0.833 174.188 174.990 0.051 0.000 1.222 297 C CA -1.079 57.989 59.018 0.084 0.000 1.474 297 C CB 0.051 27.953 27.740 0.269 0.000 2.125 297 C HN 0.742 nan 8.230 nan 0.000 0.479 298 I N 3.068 123.620 120.570 -0.031 0.000 2.410 298 I HA 0.426 4.596 4.170 0.000 0.000 0.286 298 I C -0.293 175.826 176.117 0.003 0.000 1.009 298 I CA -0.147 61.105 61.300 -0.080 0.000 1.111 298 I CB 1.472 39.381 38.000 -0.151 0.000 1.262 298 I HN 0.354 nan 8.210 nan 0.000 0.443 299 V N 6.787 126.708 119.914 0.012 0.000 2.370 299 V HA 0.367 4.488 4.120 0.000 0.000 0.279 299 V C -0.616 175.310 176.094 -0.279 0.000 1.029 299 V CA -0.696 61.623 62.300 0.032 0.000 0.870 299 V CB 0.745 32.636 31.823 0.113 0.000 0.984 299 V HN 0.404 nan 8.190 nan 0.000 0.451 300 Y N 4.246 124.505 120.300 -0.068 0.000 2.334 300 Y HA 0.644 5.194 4.550 0.000 0.000 0.328 300 Y C -0.220 175.559 175.900 -0.201 0.000 1.130 300 Y CA -0.281 57.828 58.100 0.014 0.000 1.163 300 Y CB 1.260 39.819 38.460 0.165 0.000 1.207 300 Y HN 0.532 nan 8.280 nan 0.000 0.471 301 Y N 0.038 120.587 120.300 0.415 0.000 2.605 301 Y HA 0.277 4.827 4.550 0.000 0.000 0.343 301 Y C 1.132 177.182 175.900 0.250 0.000 1.036 301 Y CA -1.418 56.901 58.100 0.364 0.000 1.065 301 Y CB 1.870 40.645 38.460 0.525 0.000 1.288 301 Y HN 0.505 nan 8.280 nan 0.000 0.481 302 K N 0.421 121.042 120.400 0.368 0.000 2.103 302 K HA -0.075 4.245 4.320 0.000 0.000 0.207 302 K C -0.550 176.127 176.600 0.129 0.000 1.048 302 K CA 1.716 58.114 56.287 0.185 0.000 0.930 302 K CB 0.206 32.786 32.500 0.134 0.000 0.716 302 K HN 0.749 nan 8.250 nan 0.000 0.444 303 E N -0.848 119.446 120.200 0.157 0.000 2.408 303 E HA 0.213 4.563 4.350 0.000 0.000 0.275 303 E C -2.697 173.778 176.600 -0.207 0.000 0.935 303 E CA -2.289 54.108 56.400 -0.005 0.000 0.775 303 E CB 2.279 31.966 29.700 -0.023 0.000 1.277 303 E HN -0.044 nan 8.360 nan 0.000 0.455 304 P HA 0.067 nan 4.420 nan 0.000 0.231 304 P C 0.189 176.593 177.300 -1.494 0.000 1.811 304 P CA -0.102 62.062 63.100 -1.560 0.000 1.051 304 P CB -0.870 30.207 31.700 -1.039 0.000 1.951 305 F N 0.188 119.598 119.950 -0.900 0.000 2.269 305 F HA -0.094 4.433 4.527 0.000 0.000 0.301 305 F C 1.720 177.364 175.800 -0.260 0.000 1.082 305 F CA -0.041 57.717 58.000 -0.402 0.000 1.360 305 F CB -1.604 37.285 39.000 -0.185 0.000 1.041 305 F HN 0.130 nan 8.300 nan 0.000 0.512 306 W N 1.334 122.281 121.300 -0.588 0.000 2.374 306 W HA 0.055 4.715 4.660 0.000 0.000 0.288 306 W C 2.035 178.500 176.519 -0.091 0.000 1.218 306 W CA 0.806 58.005 57.345 -0.244 0.000 1.245 306 W CB -1.104 28.131 29.460 -0.375 0.000 1.126 306 W HN -0.149 nan 8.180 nan 0.000 0.545 307 R N 1.172 121.433 120.500 -0.397 0.000 2.120 307 R HA -0.100 4.240 4.340 0.000 0.000 0.234 307 R C 1.976 178.191 176.300 -0.143 0.000 1.123 307 R CA 1.773 57.751 56.100 -0.203 0.000 0.975 307 R CB -0.453 29.665 30.300 -0.303 0.000 0.866 307 R HN 0.253 nan 8.270 nan 0.000 0.446 308 K N 0.593 120.905 120.400 -0.147 0.000 2.283 308 K HA -0.076 4.244 4.320 0.000 0.000 0.202 308 K C 1.280 177.818 176.600 -0.103 0.000 1.048 308 K CA 0.959 57.187 56.287 -0.097 0.000 0.948 308 K CB 0.182 32.644 32.500 -0.064 0.000 0.742 308 K HN 0.090 nan 8.250 nan 0.000 0.458 309 K N 0.557 120.875 120.400 -0.137 0.000 2.410 309 K HA -0.015 4.305 4.320 0.000 0.000 0.200 309 K C -0.498 175.790 176.600 -0.520 0.000 1.023 309 K CA 0.127 56.236 56.287 -0.298 0.000 1.149 309 K CB 0.463 32.776 32.500 -0.310 0.000 0.859 309 K HN 0.002 nan 8.250 nan 0.000 0.514 310 D N 0.340 120.569 120.400 -0.286 0.000 2.835 310 D HA -0.208 4.432 4.640 0.000 0.000 0.230 310 D C -1.395 174.819 176.300 -0.144 0.000 1.130 310 D CA 0.873 54.755 54.000 -0.196 0.000 0.738 310 D CB -1.513 39.190 40.800 -0.161 0.000 1.090 310 D HN 0.343 nan 8.370 nan 0.000 0.433 311 Y N -0.753 119.580 120.300 0.055 0.000 2.352 311 Y HA 0.312 4.862 4.550 0.000 0.000 0.339 311 Y C 2.051 178.020 175.900 0.115 0.000 0.992 311 Y CA -0.941 57.194 58.100 0.058 0.000 1.100 311 Y CB 1.256 39.761 38.460 0.074 0.000 1.192 311 Y HN 0.256 nan 8.280 nan 0.000 0.458 312 C N -0.901 118.516 119.300 0.196 0.000 2.481 312 C HA 0.414 4.874 4.460 0.000 0.000 0.275 312 C C 1.740 176.809 174.990 0.132 0.000 1.419 312 C CA 0.586 59.696 59.018 0.155 0.000 1.773 312 C CB -0.971 26.788 27.740 0.032 0.000 1.862 312 C HN 1.225 nan 8.230 nan 0.000 0.530 313 G N -0.298 108.436 108.800 -0.109 0.000 2.231 313 G HA2 -0.127 3.833 3.960 0.000 0.000 0.206 313 G HA3 -0.127 3.833 3.960 0.000 0.000 0.206 313 G C 0.033 174.625 174.900 -0.512 0.000 0.996 313 G CA 0.150 44.894 45.100 -0.593 0.000 0.645 313 G HN 0.558 nan 8.290 nan 0.000 0.498 314 T N 2.368 116.712 114.554 -0.350 0.000 2.814 314 T HA 0.636 4.986 4.350 0.000 0.000 0.297 314 T C 0.247 174.744 174.700 -0.338 0.000 0.956 314 T CA 0.582 62.445 62.100 -0.394 0.000 1.123 314 T CB 0.905 69.605 68.868 -0.280 0.000 0.902 314 T HN 0.298 nan 8.240 nan 0.000 0.528 315 M N 3.913 123.280 119.600 -0.388 0.000 2.267 315 M HA 0.467 4.947 4.480 0.000 0.000 0.289 315 M C -0.987 175.304 176.300 -0.016 0.000 1.043 315 M CA -0.564 54.636 55.300 -0.166 0.000 0.928 315 M CB 2.278 34.749 32.600 -0.215 0.000 1.613 315 M HN 0.415 nan 8.290 nan 0.000 0.450 316 I N 4.766 125.498 120.570 0.270 0.000 2.328 316 I HA 0.438 4.608 4.170 0.000 0.000 0.287 316 I C -0.772 175.605 176.117 0.433 0.000 1.012 316 I CA -0.326 61.248 61.300 0.457 0.000 1.195 316 I CB 0.803 39.119 38.000 0.527 0.000 1.350 316 I HN 0.600 nan 8.210 nan 0.000 0.464 317 I N 5.334 126.115 120.570 0.352 0.000 2.382 317 I HA 0.298 4.468 4.170 0.000 0.000 0.285 317 I C -0.311 175.978 176.117 0.286 0.000 1.007 317 I CA -0.510 60.968 61.300 0.297 0.000 1.142 317 I CB 1.272 39.383 38.000 0.184 0.000 1.289 317 I HN 0.460 nan 8.210 nan 0.000 0.453 318 D N 4.338 124.909 120.400 0.286 0.000 2.340 318 D HA 0.686 5.326 4.640 0.000 0.000 0.251 318 D C 0.117 176.532 176.300 0.192 0.000 1.080 318 D CA 0.369 54.505 54.000 0.226 0.000 0.971 318 D CB 1.940 42.860 40.800 0.201 0.000 1.137 318 D HN 0.792 nan 8.370 nan 0.000 0.475 319 G N 1.480 110.371 108.800 0.152 0.000 2.906 319 G HA2 -0.128 3.832 3.960 0.000 0.000 0.686 319 G HA3 -0.128 3.832 3.960 0.000 0.000 0.686 319 G C 0.476 175.450 174.900 0.123 0.000 1.170 319 G CA 0.144 45.321 45.100 0.128 0.000 0.775 319 G HN 0.432 nan 8.290 nan 0.000 0.630 320 E N 0.692 120.959 120.200 0.112 0.000 2.118 320 E HA -0.113 4.237 4.350 0.000 0.000 0.195 320 E C 2.141 178.802 176.600 0.100 0.000 0.992 320 E CA 2.547 59.021 56.400 0.123 0.000 0.804 320 E CB 0.024 29.793 29.700 0.115 0.000 0.741 320 E HN 0.738 nan 8.360 nan 0.000 0.458 321 E N 0.070 120.320 120.200 0.084 0.000 2.274 321 E HA 0.105 4.455 4.350 0.000 0.000 0.194 321 E C 0.318 176.948 176.600 0.050 0.000 0.996 321 E CA 0.754 57.192 56.400 0.063 0.000 0.840 321 E CB -0.146 29.588 29.700 0.057 0.000 0.772 321 E HN 0.275 nan 8.360 nan 0.000 0.491 322 A N 2.610 125.470 122.820 0.067 0.000 2.451 322 A HA 0.162 4.482 4.320 0.000 0.000 0.266 322 A C -1.421 176.187 177.584 0.041 0.000 1.119 322 A CA -1.164 50.904 52.037 0.052 0.000 0.786 322 A CB 0.202 19.253 19.000 0.087 0.000 1.061 322 A HN -0.019 nan 8.150 nan 0.000 0.503 323 P HA -0.036 nan 4.420 nan 0.000 0.219 323 P C 0.247 177.577 177.300 0.050 0.000 1.150 323 P CA 0.930 64.035 63.100 0.009 0.000 0.814 323 P CB 0.104 31.791 31.700 -0.022 0.000 0.787 324 V N 0.205 120.168 119.914 0.081 0.000 2.417 324 V HA 0.477 4.597 4.120 0.000 0.000 0.291 324 V C 1.089 177.299 176.094 0.193 0.000 1.024 324 V CA -0.123 62.275 62.300 0.164 0.000 0.861 324 V CB 1.342 33.293 31.823 0.212 0.000 0.985 324 V HN -0.019 nan 8.190 nan 0.000 0.436 325 A N 4.456 127.420 122.820 0.239 0.000 2.252 325 A HA 0.364 4.684 4.320 0.000 0.000 0.213 325 A C 0.062 177.873 177.584 0.377 0.000 1.188 325 A CA 0.422 52.619 52.037 0.268 0.000 0.863 325 A CB 0.210 19.353 19.000 0.237 0.000 0.893 325 A HN 0.724 nan 8.150 nan 0.000 0.495 326 Y N -0.027 120.402 120.300 0.215 0.000 2.479 326 Y HA 0.481 5.031 4.550 0.000 0.000 0.338 326 Y C -0.347 175.615 175.900 0.105 0.000 1.055 326 Y CA -0.418 57.796 58.100 0.191 0.000 1.023 326 Y CB 1.660 40.283 38.460 0.271 0.000 1.287 326 Y HN 0.131 nan 8.280 nan 0.000 0.447 327 T N 3.722 117.951 114.554 -0.541 0.000 2.906 327 T HA 0.871 5.221 4.350 0.000 0.000 0.295 327 T C -1.535 172.740 174.700 -0.709 0.000 1.075 327 T CA -0.839 60.947 62.100 -0.523 0.000 1.005 327 T CB 1.845 70.386 68.868 -0.546 0.000 1.136 327 T HN 0.597 nan 8.240 nan 0.000 0.498 328 L N 0.988 121.925 121.223 -0.476 0.000 2.393 328 L HA 0.497 4.837 4.340 0.000 0.000 0.260 328 L C -0.626 176.059 176.870 -0.307 0.000 1.002 328 L CA -1.265 53.360 54.840 -0.359 0.000 0.818 328 L CB 2.202 44.138 42.059 -0.206 0.000 1.369 328 L HN 0.747 nan 8.230 nan 0.000 0.412 329 D N 0.950 121.209 120.400 -0.236 0.000 2.487 329 D HA -0.056 4.584 4.640 0.000 0.000 0.243 329 D C -0.241 176.078 176.300 0.033 0.000 1.154 329 D CA 0.646 54.588 54.000 -0.097 0.000 0.876 329 D CB 1.146 42.016 40.800 0.117 0.000 1.161 329 D HN 0.507 nan 8.370 nan 0.000 0.478 330 D N 1.814 122.238 120.400 0.041 0.000 2.462 330 D HA 0.068 4.708 4.640 0.000 0.000 0.221 330 D C -0.328 176.054 176.300 0.136 0.000 1.173 330 D CA -0.146 53.905 54.000 0.085 0.000 0.831 330 D CB 0.372 41.161 40.800 -0.017 0.000 1.001 330 D HN 0.243 nan 8.370 nan 0.000 0.499 331 T N 1.741 116.414 114.554 0.198 0.000 2.946 331 T HA -0.020 4.330 4.350 0.000 0.000 0.312 331 T C 0.574 175.339 174.700 0.109 0.000 1.066 331 T CA -0.021 62.191 62.100 0.186 0.000 1.138 331 T CB 0.698 69.677 68.868 0.185 0.000 1.014 331 T HN -0.053 nan 8.240 nan 0.000 0.544 332 K N 4.051 124.484 120.400 0.055 0.000 2.440 332 K HA 0.043 4.363 4.320 0.000 0.000 0.270 332 K C -1.345 175.147 176.600 -0.179 0.000 0.980 332 K CA -1.680 54.544 56.287 -0.105 0.000 0.953 332 K CB 0.102 32.566 32.500 -0.060 0.000 0.925 332 K HN 0.363 nan 8.250 nan 0.000 0.497 333 P HA -0.113 nan 4.420 nan 0.000 0.222 333 P C 0.302 177.527 177.300 -0.125 0.000 1.147 333 P CA 1.238 64.134 63.100 -0.339 0.000 0.790 333 P CB 0.358 31.735 31.700 -0.538 0.000 0.780 334 E N -0.638 119.509 120.200 -0.088 0.000 2.347 334 E HA 0.097 4.447 4.350 0.000 0.000 0.196 334 E C 1.635 178.229 176.600 -0.010 0.000 1.008 334 E CA 1.142 57.528 56.400 -0.024 0.000 0.852 334 E CB -0.861 28.847 29.700 0.013 0.000 0.783 334 E HN 0.337 nan 8.360 nan 0.000 0.505 335 G N 0.472 109.268 108.800 -0.007 0.000 2.179 335 G HA2 -0.263 3.697 3.960 0.000 0.000 0.220 335 G HA3 -0.263 3.697 3.960 0.000 0.000 0.220 335 G C 0.070 174.973 174.900 0.005 0.000 0.990 335 G CA 0.167 45.263 45.100 -0.008 0.000 0.646 335 G HN 0.363 nan 8.290 nan 0.000 0.517 336 N N -0.699 118.030 118.700 0.048 0.000 2.530 336 N HA 0.546 5.286 4.740 0.000 0.000 0.283 336 N C 0.505 176.133 175.510 0.197 0.000 1.238 336 N CA -0.923 52.150 53.050 0.038 0.000 0.971 336 N CB 0.011 38.463 38.487 -0.058 0.000 1.195 336 N HN 0.566 nan 8.380 nan 0.000 0.583 337 Y N -2.672 117.661 120.300 0.055 0.000 3.168 337 Y HA -0.172 4.378 4.550 0.000 0.000 0.207 337 Y C 0.652 176.694 175.900 0.237 0.000 1.280 337 Y CA 0.282 58.469 58.100 0.145 0.000 1.235 337 Y CB -2.382 36.128 38.460 0.084 0.000 1.370 337 Y HN 0.769 nan 8.280 nan 0.000 0.537 338 A N 0.229 123.216 122.820 0.277 0.000 2.603 338 A HA 0.503 4.823 4.320 0.000 0.000 0.235 338 A C 0.783 178.622 177.584 0.426 0.000 1.035 338 A CA 0.724 52.939 52.037 0.297 0.000 0.755 338 A CB 0.057 19.170 19.000 0.189 0.000 0.954 338 A HN 1.596 nan 8.150 nan 0.000 0.511 339 A N 2.031 125.112 122.820 0.435 0.000 2.605 339 A HA 0.643 4.963 4.320 0.000 0.000 0.294 339 A C -0.911 176.674 177.584 0.000 0.000 1.062 339 A CA -0.527 51.574 52.037 0.107 0.000 0.682 339 A CB 0.774 19.533 19.000 -0.401 0.000 1.278 339 A HN 0.855 nan 8.150 nan 0.000 0.410 340 I N 2.466 122.927 120.570 -0.182 0.000 2.406 340 I HA 0.395 4.565 4.170 0.000 0.000 0.290 340 I C -0.074 175.888 176.117 -0.258 0.000 0.999 340 I CA -0.503 60.556 61.300 -0.402 0.000 1.124 340 I CB 1.849 39.442 38.000 -0.678 0.000 1.289 340 I HN 0.694 nan 8.210 nan 0.000 0.441 341 M N 5.549 124.994 119.600 -0.258 0.000 2.209 341 M HA 0.606 5.086 4.480 0.000 0.000 0.355 341 M C -0.405 175.740 176.300 -0.258 0.000 1.171 341 M CA -0.154 55.020 55.300 -0.210 0.000 1.069 341 M CB 1.050 33.547 32.600 -0.171 0.000 1.622 341 M HN 0.703 nan 8.290 nan 0.000 0.459 342 G N 4.408 113.105 108.800 -0.172 0.000 2.620 342 G HA2 0.678 4.638 3.960 0.000 0.000 0.301 342 G HA3 0.678 4.638 3.960 0.000 0.000 0.301 342 G C -1.955 172.886 174.900 -0.098 0.000 1.347 342 G CA -0.537 44.513 45.100 -0.083 0.000 0.971 342 G HN 0.654 nan 8.290 nan 0.000 0.488 343 F N 0.723 120.811 119.950 0.230 0.000 2.420 343 F HA 0.489 5.016 4.527 0.000 0.000 0.342 343 F C 0.598 176.504 175.800 0.176 0.000 1.113 343 F CA -0.706 57.430 58.000 0.226 0.000 1.059 343 F CB 2.091 41.249 39.000 0.264 0.000 1.128 343 F HN 0.066 nan 8.300 nan 0.000 0.475 344 I N 5.233 126.009 120.570 0.343 0.000 2.304 344 I HA 0.257 4.427 4.170 0.000 0.000 0.291 344 I C -0.646 175.560 176.117 0.149 0.000 1.018 344 I CA -0.269 61.149 61.300 0.198 0.000 1.260 344 I CB 0.725 38.809 38.000 0.140 0.000 1.390 344 I HN 0.381 nan 8.210 nan 0.000 0.475 345 L N 6.520 127.790 121.223 0.079 0.000 2.325 345 L HA 0.718 5.058 4.340 0.000 0.000 0.278 345 L C 0.935 177.773 176.870 -0.054 0.000 1.023 345 L CA -0.263 54.583 54.840 0.011 0.000 0.811 345 L CB 1.524 43.595 42.059 0.020 0.000 1.249 345 L HN 0.900 nan 8.230 nan 0.000 0.431 346 A N 2.055 124.840 122.820 -0.060 0.000 5.308 346 A HA -0.364 3.956 4.320 0.000 0.000 0.321 346 A C 1.689 179.273 177.584 -0.000 0.000 1.849 346 A CA 1.525 53.538 52.037 -0.041 0.000 0.713 346 A CB -1.619 17.353 19.000 -0.046 0.000 1.360 346 A HN 1.097 nan 8.150 nan 0.000 0.384 347 H N 0.981 120.047 119.070 -0.007 0.000 2.457 347 H HA -0.049 4.507 4.556 0.000 0.000 0.297 347 H C 1.650 176.999 175.328 0.035 0.000 1.092 347 H CA 1.877 57.938 56.048 0.022 0.000 1.309 347 H CB -0.389 29.395 29.762 0.036 0.000 1.382 347 H HN 0.738 nan 8.280 nan 0.000 0.535 348 K N 0.687 120.770 120.400 -0.529 0.000 2.211 348 K HA 0.075 4.395 4.320 0.000 0.000 0.203 348 K C 2.558 179.104 176.600 -0.090 0.000 1.050 348 K CA 0.841 56.937 56.287 -0.319 0.000 0.945 348 K CB 0.056 32.380 32.500 -0.292 0.000 0.732 348 K HN 0.335 nan 8.250 nan 0.000 0.451 349 A N 1.423 124.217 122.820 -0.042 0.000 1.930 349 A HA -0.159 4.161 4.320 0.000 0.000 0.217 349 A C 2.050 179.652 177.584 0.031 0.000 1.175 349 A CA 1.326 53.377 52.037 0.024 0.000 0.627 349 A CB -0.237 18.792 19.000 0.049 0.000 0.815 349 A HN 0.114 nan 8.150 nan 0.000 0.443 350 R N -0.237 120.283 120.500 0.032 0.000 2.062 350 R HA -0.025 4.315 4.340 0.000 0.000 0.229 350 R C 2.308 178.634 176.300 0.043 0.000 1.128 350 R CA 1.705 57.833 56.100 0.046 0.000 0.960 350 R CB -0.343 29.998 30.300 0.067 0.000 0.855 350 R HN 0.615 nan 8.270 nan 0.000 0.432 351 K N 0.599 121.026 120.400 0.044 0.000 2.026 351 K HA -0.102 4.218 4.320 0.000 0.000 0.208 351 K C 1.514 178.132 176.600 0.030 0.000 1.048 351 K CA 1.394 57.710 56.287 0.048 0.000 0.929 351 K CB -0.027 32.514 32.500 0.069 0.000 0.713 351 K HN 0.150 nan 8.250 nan 0.000 0.439 352 L N 0.199 121.433 121.223 0.019 0.000 2.558 352 L HA 0.120 4.460 4.340 0.000 0.000 0.225 352 L C 2.223 179.110 176.870 0.029 0.000 1.128 352 L CA 0.212 55.064 54.840 0.020 0.000 0.868 352 L CB -0.077 41.990 42.059 0.015 0.000 1.006 352 L HN 0.204 nan 8.230 nan 0.000 0.454 353 A N 0.478 123.316 122.820 0.032 0.000 2.070 353 A HA -0.208 4.112 4.320 0.000 0.000 0.220 353 A C 2.418 180.016 177.584 0.025 0.000 1.159 353 A CA 1.223 53.279 52.037 0.032 0.000 0.656 353 A CB -0.505 18.513 19.000 0.031 0.000 0.800 353 A HN 0.359 nan 8.150 nan 0.000 0.453 354 R N -0.653 119.861 120.500 0.022 0.000 2.148 354 R HA 0.040 4.380 4.340 0.000 0.000 0.227 354 R C 0.243 176.552 176.300 0.016 0.000 1.103 354 R CA 0.281 56.392 56.100 0.018 0.000 0.983 354 R CB -0.311 30.000 30.300 0.018 0.000 0.874 354 R HN 0.497 nan 8.270 nan 0.000 0.451 355 L N 0.696 121.929 121.223 0.017 0.000 2.475 355 L HA 0.120 4.460 4.340 0.000 0.000 0.253 355 L C 0.871 177.751 176.870 0.018 0.000 1.198 355 L CA -0.400 54.447 54.840 0.013 0.000 0.814 355 L CB 0.877 42.941 42.059 0.008 0.000 1.134 355 L HN 0.198 nan 8.230 nan 0.000 0.478 356 T N -2.591 111.971 114.554 0.013 0.000 2.788 356 T HA 0.089 4.439 4.350 0.000 0.000 0.287 356 T C 0.897 175.619 174.700 0.036 0.000 1.007 356 T CA -0.629 61.483 62.100 0.021 0.000 1.005 356 T CB 1.168 70.044 68.868 0.013 0.000 1.012 356 T HN 0.667 nan 8.240 nan 0.000 0.530 357 K N 0.289 120.726 120.400 0.062 0.000 2.063 357 K HA -0.197 4.123 4.320 0.000 0.000 0.208 357 K C 1.923 178.559 176.600 0.060 0.000 1.048 357 K CA 1.820 58.184 56.287 0.129 0.000 0.928 357 K CB -0.195 32.395 32.500 0.149 0.000 0.713 357 K HN 0.682 nan 8.250 nan 0.000 0.442 358 E N 0.781 120.989 120.200 0.013 0.000 2.106 358 E HA -0.151 4.199 4.350 0.000 0.000 0.192 358 E C 1.809 178.358 176.600 -0.084 0.000 0.984 358 E CA 1.393 57.766 56.400 -0.046 0.000 0.806 358 E CB 0.006 29.693 29.700 -0.021 0.000 0.750 358 E HN 0.399 nan 8.360 nan 0.000 0.458 359 E N 0.235 120.405 120.200 -0.050 0.000 2.077 359 E HA -0.128 4.222 4.350 0.000 0.000 0.193 359 E C 2.116 178.666 176.600 -0.085 0.000 0.989 359 E CA 0.768 57.135 56.400 -0.056 0.000 0.800 359 E CB -0.005 29.679 29.700 -0.027 0.000 0.746 359 E HN 0.118 nan 8.360 nan 0.000 0.452 360 R N 0.210 120.664 120.500 -0.075 0.000 2.075 360 R HA -0.118 4.222 4.340 0.000 0.000 0.232 360 R C 2.473 178.618 176.300 -0.257 0.000 1.126 360 R CA 0.751 56.795 56.100 -0.093 0.000 0.963 360 R CB -0.316 29.996 30.300 0.021 0.000 0.858 360 R HN 0.131 nan 8.270 nan 0.000 0.435 361 L N 1.796 122.746 121.223 -0.456 0.000 2.042 361 L HA -0.216 4.125 4.340 0.000 0.000 0.210 361 L C 2.216 178.862 176.870 -0.374 0.000 1.076 361 L CA 1.905 56.315 54.840 -0.717 0.000 0.749 361 L CB -0.418 41.146 42.059 -0.825 0.000 0.893 361 L HN -0.004 nan 8.230 nan 0.000 0.432 362 K N -0.451 119.805 120.400 -0.240 0.000 2.026 362 K HA -0.218 4.102 4.320 0.000 0.000 0.208 362 K C 2.167 178.675 176.600 -0.154 0.000 1.048 362 K CA 1.739 57.933 56.287 -0.155 0.000 0.929 362 K CB -0.108 32.331 32.500 -0.102 0.000 0.713 362 K HN 0.342 nan 8.250 nan 0.000 0.439 363 K N 0.154 120.461 120.400 -0.156 0.000 2.097 363 K HA -0.133 4.187 4.320 0.000 0.000 0.206 363 K C 2.075 178.538 176.600 -0.229 0.000 1.049 363 K CA 1.058 57.257 56.287 -0.145 0.000 0.933 363 K CB -0.066 32.370 32.500 -0.107 0.000 0.717 363 K HN 0.062 nan 8.250 nan 0.000 0.442 364 L N 0.636 121.667 121.223 -0.320 0.000 2.056 364 L HA -0.176 4.164 4.340 0.000 0.000 0.207 364 L C 2.374 178.817 176.870 -0.711 0.000 1.078 364 L CA 1.473 55.961 54.840 -0.587 0.000 0.749 364 L CB -0.587 41.151 42.059 -0.534 0.000 0.901 364 L HN 0.216 nan 8.230 nan 0.000 0.433 365 C N -0.720 118.372 119.300 -0.347 0.000 2.429 365 C HA -0.139 4.321 4.460 0.000 0.000 0.277 365 C C 2.628 177.582 174.990 -0.060 0.000 1.262 365 C CA 0.495 59.453 59.018 -0.099 0.000 1.733 365 C CB -0.741 27.001 27.740 0.004 0.000 2.010 365 C HN 0.545 nan 8.230 nan 0.000 0.483 366 E N 0.365 120.504 120.200 -0.102 0.000 2.110 366 E HA -0.216 4.134 4.350 0.000 0.000 0.193 366 E C 1.993 178.557 176.600 -0.060 0.000 0.988 366 E CA 0.972 57.337 56.400 -0.057 0.000 0.804 366 E CB -0.250 29.415 29.700 -0.058 0.000 0.745 366 E HN 0.519 nan 8.360 nan 0.000 0.458 367 L N 0.301 121.441 121.223 -0.137 0.000 1.994 367 L HA -0.190 4.150 4.340 0.000 0.000 0.208 367 L C 2.012 178.886 176.870 0.007 0.000 1.071 367 L CA 1.723 56.495 54.840 -0.113 0.000 0.745 367 L CB -0.615 41.337 42.059 -0.179 0.000 0.892 367 L HN 0.198 nan 8.230 nan 0.000 0.431 368 Y N -0.607 119.675 120.300 -0.031 0.000 2.224 368 Y HA -0.258 4.292 4.550 0.000 0.000 0.289 368 Y C 2.552 178.462 175.900 0.015 0.000 1.146 368 Y CA 0.339 58.426 58.100 -0.022 0.000 1.182 368 Y CB -0.570 37.916 38.460 0.044 0.000 0.983 368 Y HN 0.396 nan 8.280 nan 0.000 0.524 369 A N 0.677 123.610 122.820 0.188 0.000 1.883 369 A HA -0.278 4.042 4.320 0.000 0.000 0.217 369 A C 2.168 179.800 177.584 0.080 0.000 1.186 369 A CA 2.148 54.257 52.037 0.120 0.000 0.624 369 A CB -0.681 18.359 19.000 0.068 0.000 0.822 369 A HN 0.424 nan 8.150 nan 0.000 0.444 370 K N -0.473 119.952 120.400 0.042 0.000 2.002 370 K HA -0.090 4.230 4.320 0.000 0.000 0.209 370 K C 1.843 178.444 176.600 0.002 0.000 1.048 370 K CA 1.655 57.957 56.287 0.025 0.000 0.930 370 K CB -0.298 32.205 32.500 0.004 0.000 0.714 370 K HN 0.216 nan 8.250 nan 0.000 0.438 371 V N 1.614 121.471 119.914 -0.095 0.000 2.343 371 V HA -0.223 3.897 4.120 0.000 0.000 0.247 371 V C 2.122 178.168 176.094 -0.079 0.000 1.051 371 V CA 1.568 63.764 62.300 -0.173 0.000 1.036 371 V CB -0.313 31.352 31.823 -0.264 0.000 0.654 371 V HN 0.329 nan 8.190 nan 0.000 0.451 372 L N 0.336 121.548 121.223 -0.018 0.000 2.591 372 L HA 0.281 4.621 4.340 0.000 0.000 0.228 372 L C 1.651 178.658 176.870 0.227 0.000 1.133 372 L CA 0.683 55.558 54.840 0.058 0.000 0.880 372 L CB -0.689 41.484 42.059 0.189 0.000 1.033 372 L HN 0.537 nan 8.230 nan 0.000 0.450 373 G N 0.650 109.539 108.800 0.148 0.000 2.356 373 G HA2 -0.271 3.689 3.960 0.000 0.000 0.296 373 G HA3 -0.271 3.689 3.960 0.000 0.000 0.296 373 G C 0.025 175.008 174.900 0.138 0.000 1.022 373 G CA 0.523 45.706 45.100 0.139 0.000 0.961 373 G HN 0.338 nan 8.290 nan 0.000 0.510 374 S N -0.664 115.115 115.700 0.132 0.000 2.779 374 S HA 0.439 4.909 4.470 0.000 0.000 0.293 374 S C 1.312 175.893 174.600 -0.032 0.000 1.150 374 S CA -0.712 57.534 58.200 0.077 0.000 1.057 374 S CB 1.484 64.818 63.200 0.222 0.000 1.021 374 S HN 0.276 nan 8.310 nan 0.000 0.485 375 L N 2.187 123.371 121.223 -0.065 0.000 2.187 375 L HA -0.153 4.187 4.340 0.000 0.000 0.213 375 L C 2.199 178.963 176.870 -0.178 0.000 1.100 375 L CA 1.334 56.124 54.840 -0.084 0.000 0.765 375 L CB -0.386 41.638 42.059 -0.059 0.000 0.904 375 L HN 0.663 nan 8.230 nan 0.000 0.437 376 E N 0.373 120.345 120.200 -0.380 0.000 2.209 376 E HA -0.226 4.124 4.350 0.000 0.000 0.196 376 E C 2.243 178.473 176.600 -0.617 0.000 0.993 376 E CA 0.997 57.025 56.400 -0.620 0.000 0.819 376 E CB -0.224 28.804 29.700 -1.119 0.000 0.745 376 E HN 0.542 nan 8.360 nan 0.000 0.477 377 A N 0.983 123.510 122.820 -0.488 0.000 2.125 377 A HA -0.106 4.214 4.320 0.000 0.000 0.219 377 A C 1.937 179.698 177.584 0.294 0.000 1.156 377 A CA 0.792 52.859 52.037 0.050 0.000 0.671 377 A CB -0.378 18.793 19.000 0.284 0.000 0.794 377 A HN 0.173 nan 8.150 nan 0.000 0.459 378 L N -0.290 121.003 121.223 0.117 0.000 2.612 378 L HA 0.081 4.421 4.340 0.000 0.000 0.230 378 L C 0.188 177.137 176.870 0.132 0.000 1.140 378 L CA 0.086 54.993 54.840 0.111 0.000 0.896 378 L CB -0.021 42.060 42.059 0.037 0.000 1.065 378 L HN 0.224 nan 8.230 nan 0.000 0.447 379 E N 1.145 121.476 120.200 0.218 0.000 3.351 379 E HA 0.260 4.610 4.350 0.000 0.000 0.220 379 E C -2.256 174.511 176.600 0.278 0.000 1.150 379 E CA -1.627 54.890 56.400 0.194 0.000 1.359 379 E CB 0.243 30.015 29.700 0.120 0.000 1.365 379 E HN 0.159 nan 8.360 nan 0.000 0.434 380 P HA 0.002 nan 4.420 nan 0.000 0.272 380 P C 1.086 178.410 177.300 0.038 0.000 1.223 380 P CA -0.079 62.968 63.100 -0.088 0.000 0.784 380 P CB 1.438 33.041 31.700 -0.162 0.000 0.923 381 V N -2.033 117.924 119.914 0.072 0.000 3.621 381 V HA 0.325 4.445 4.120 0.000 0.000 0.263 381 V C 0.461 176.683 176.094 0.213 0.000 1.272 381 V CA 0.765 63.147 62.300 0.137 0.000 1.080 381 V CB -1.148 30.761 31.823 0.143 0.000 0.816 381 V HN 0.691 nan 8.190 nan 0.000 0.451 382 H N -1.159 117.982 119.070 0.120 0.000 2.987 382 H HA 0.619 5.175 4.556 0.000 0.000 0.316 382 H C -2.312 173.231 175.328 0.359 0.000 1.380 382 H CA -0.686 55.453 56.048 0.152 0.000 1.160 382 H CB 1.898 31.649 29.762 -0.018 0.000 1.865 382 H HN 0.157 nan 8.280 nan 0.000 0.521 383 Y N 1.515 121.537 120.300 -0.463 0.000 2.482 383 Y HA 0.502 5.052 4.550 0.000 0.000 0.334 383 Y C -1.715 174.061 175.900 -0.206 0.000 1.091 383 Y CA -0.621 57.396 58.100 -0.138 0.000 1.027 383 Y CB 1.691 40.078 38.460 -0.121 0.000 1.306 383 Y HN 0.639 nan 8.280 nan 0.000 0.446 384 E N 4.092 124.025 120.200 -0.445 0.000 2.343 384 E HA 0.468 4.818 4.350 0.000 0.000 0.270 384 E C -1.438 174.766 176.600 -0.660 0.000 0.895 384 E CA -0.823 55.325 56.400 -0.421 0.000 0.767 384 E CB 2.823 32.513 29.700 -0.016 0.000 1.248 384 E HN 0.764 nan 8.360 nan 0.000 0.440 385 E N 0.078 120.029 120.200 -0.415 0.000 2.423 385 E HA 0.681 5.031 4.350 0.000 0.000 0.280 385 E C -1.246 175.306 176.600 -0.081 0.000 1.030 385 E CA -1.080 55.172 56.400 -0.248 0.000 0.812 385 E CB 2.107 31.643 29.700 -0.274 0.000 1.313 385 E HN 0.093 nan 8.360 nan 0.000 0.456 386 K N 1.290 121.688 120.400 -0.003 0.000 2.581 386 K HA 0.327 4.647 4.320 0.000 0.000 0.249 386 K C -1.861 174.696 176.600 -0.072 0.000 0.966 386 K CA -0.605 55.619 56.287 -0.105 0.000 0.811 386 K CB 1.567 33.965 32.500 -0.170 0.000 1.223 386 K HN 0.544 nan 8.250 nan 0.000 0.438 387 N N 4.132 122.761 118.700 -0.119 0.000 2.437 387 N HA 0.132 4.872 4.740 0.000 0.000 0.243 387 N C -0.204 175.245 175.510 -0.103 0.000 1.041 387 N CA -0.301 52.740 53.050 -0.015 0.000 0.940 387 N CB 0.279 38.769 38.487 0.005 0.000 1.133 387 N HN 0.681 nan 8.380 nan 0.000 0.506 388 W N 2.279 123.623 121.300 0.074 0.000 2.800 388 W HA 0.064 4.724 4.660 0.000 0.000 0.249 388 W C 1.985 178.526 176.519 0.037 0.000 1.294 388 W CA -0.075 57.309 57.345 0.065 0.000 1.402 388 W CB -0.139 29.374 29.460 0.089 0.000 1.126 388 W HN 0.592 nan 8.180 nan 0.000 0.652 389 C N 0.463 119.872 119.300 0.181 0.000 2.419 389 C HA -0.182 4.278 4.460 0.000 0.000 0.283 389 C C 2.397 177.416 174.990 0.048 0.000 1.373 389 C CA 1.520 60.601 59.018 0.104 0.000 1.781 389 C CB -1.478 26.306 27.740 0.074 0.000 1.886 389 C HN 0.500 nan 8.230 nan 0.000 0.520 390 E N 0.841 121.046 120.200 0.010 0.000 2.481 390 E HA -0.027 4.323 4.350 0.000 0.000 0.195 390 E C -0.047 176.526 176.600 -0.045 0.000 1.047 390 E CA 0.469 56.850 56.400 -0.031 0.000 0.867 390 E CB -0.174 29.492 29.700 -0.057 0.000 0.858 390 E HN 0.505 nan 8.360 nan 0.000 0.513 391 E N 2.109 122.301 120.200 -0.012 0.000 2.129 391 E HA -0.012 4.338 4.350 0.000 0.000 0.283 391 E C 0.448 177.032 176.600 -0.026 0.000 1.080 391 E CA -0.014 56.383 56.400 -0.005 0.000 0.867 391 E CB 1.539 31.295 29.700 0.093 0.000 1.056 391 E HN 0.353 nan 8.360 nan 0.000 0.404 392 Q N 2.970 122.689 119.800 -0.134 0.000 2.135 392 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 392 Q C 0.384 176.163 176.000 -0.368 0.000 0.981 392 Q CA 1.620 57.230 55.803 -0.321 0.000 0.856 392 Q CB 0.094 28.498 28.738 -0.557 0.000 0.902 392 Q HN 0.605 nan 8.270 nan 0.000 0.425 393 Y N -0.997 119.330 120.300 0.046 0.000 2.524 393 Y HA 0.245 4.795 4.550 0.000 0.000 0.266 393 Y C 1.481 177.439 175.900 0.097 0.000 1.180 393 Y CA -0.321 57.814 58.100 0.059 0.000 1.244 393 Y CB 0.912 39.398 38.460 0.044 0.000 1.125 393 Y HN 0.083 nan 8.280 nan 0.000 0.524 394 S N -1.669 114.158 115.700 0.212 0.000 2.931 394 S HA 0.298 4.768 4.470 0.000 0.000 0.251 394 S C 1.824 176.509 174.600 0.141 0.000 1.078 394 S CA 0.571 58.901 58.200 0.218 0.000 0.835 394 S CB 0.648 64.060 63.200 0.353 0.000 0.798 394 S HN 0.527 nan 8.310 nan 0.000 0.495 395 G N 0.942 109.807 108.800 0.108 0.000 2.241 395 G HA2 0.096 4.056 3.960 0.000 0.000 0.244 395 G HA3 0.096 4.056 3.960 0.000 0.000 0.244 395 G C 0.460 175.405 174.900 0.075 0.000 0.998 395 G CA 0.005 45.137 45.100 0.053 0.000 0.621 395 G HN 1.364 nan 8.290 nan 0.000 0.519 396 G N -2.251 106.634 108.800 0.141 0.000 2.352 396 G HA2 0.527 4.487 3.960 0.000 0.000 0.283 396 G HA3 0.527 4.487 3.960 0.000 0.000 0.283 396 G C -1.051 173.941 174.900 0.153 0.000 1.308 396 G CA 0.371 45.565 45.100 0.156 0.000 0.892 396 G HN 1.419 nan 8.290 nan 0.000 0.504 397 C N -1.672 117.671 119.300 0.072 0.000 3.288 397 C HA 0.612 5.072 4.460 0.000 0.000 0.318 397 C C 0.815 175.670 174.990 -0.225 0.000 1.356 397 C CA -0.602 58.383 59.018 -0.056 0.000 1.359 397 C CB 0.834 28.446 27.740 -0.214 0.000 1.688 397 C HN 0.714 nan 8.230 nan 0.000 0.467 398 Y N 0.603 120.849 120.300 -0.090 0.000 2.314 398 Y HA 0.205 4.755 4.550 0.000 0.000 0.293 398 Y C 1.606 177.478 175.900 -0.046 0.000 1.129 398 Y CA 1.283 59.298 58.100 -0.142 0.000 1.201 398 Y CB -0.383 37.972 38.460 -0.176 0.000 0.999 398 Y HN 0.701 nan 8.280 nan 0.000 0.541 399 T N -2.113 112.539 114.554 0.164 0.000 2.665 399 T HA 0.317 4.667 4.350 0.000 0.000 0.303 399 T C -0.902 173.906 174.700 0.180 0.000 1.334 399 T CA -0.708 61.521 62.100 0.215 0.000 1.011 399 T CB 0.996 70.087 68.868 0.371 0.000 1.573 399 T HN -0.171 nan 8.240 nan 0.000 0.492 400 T N 2.626 117.297 114.554 0.196 0.000 2.794 400 T HA 0.497 4.847 4.350 0.000 0.000 0.296 400 T C -0.806 173.903 174.700 0.015 0.000 0.949 400 T CA 0.003 62.114 62.100 0.019 0.000 1.101 400 T CB -0.423 68.448 68.868 0.004 0.000 0.905 400 T HN 0.456 nan 8.240 nan 0.000 0.516 401 Y N 1.224 121.315 120.300 -0.348 0.000 2.496 401 Y HA 0.799 5.349 4.550 0.000 0.000 0.331 401 Y C -1.190 174.151 175.900 -0.932 0.000 1.140 401 Y CA -2.209 55.335 58.100 -0.927 0.000 1.166 401 Y CB 0.706 38.745 38.460 -0.701 0.000 1.249 401 Y HN 0.398 nan 8.280 nan 0.000 0.479 402 F N 2.961 122.166 119.950 -1.242 0.000 2.426 402 F HA 0.584 5.111 4.527 0.000 0.000 0.348 402 F C -2.311 173.408 175.800 -0.134 0.000 1.124 402 F CA -2.646 55.013 58.000 -0.569 0.000 1.008 402 F CB 1.643 40.362 39.000 -0.467 0.000 1.139 402 F HN 0.363 nan 8.300 nan 0.000 0.452 403 P HA 0.170 nan 4.420 nan 0.000 0.274 403 P C -2.563 174.850 177.300 0.187 0.000 1.256 403 P CA -1.305 61.896 63.100 0.167 0.000 0.795 403 P CB -0.056 31.696 31.700 0.087 0.000 1.038 404 P HA -0.040 nan 4.420 nan 0.000 0.264 404 P C 0.895 178.294 177.300 0.165 0.000 1.183 404 P CA 1.299 64.508 63.100 0.181 0.000 0.763 404 P CB -0.114 31.674 31.700 0.146 0.000 0.807 405 G N 2.854 111.764 108.800 0.183 0.000 2.217 405 G HA2 -0.269 3.691 3.960 0.000 0.000 0.246 405 G HA3 -0.269 3.691 3.960 0.000 0.000 0.246 405 G C 0.805 175.826 174.900 0.202 0.000 0.990 405 G CA 0.109 45.307 45.100 0.163 0.000 0.627 405 G HN 0.442 nan 8.290 nan 0.000 0.522 406 I N 0.168 120.892 120.570 0.256 0.000 2.494 406 I HA 0.164 4.334 4.170 0.000 0.000 0.250 406 I C 2.612 178.972 176.117 0.407 0.000 1.112 406 I CA 1.343 62.852 61.300 0.350 0.000 1.438 406 I CB -1.122 37.026 38.000 0.247 0.000 1.111 406 I HN 0.282 nan 8.210 nan 0.000 0.431 407 L N 1.199 122.632 121.223 0.351 0.000 2.083 407 L HA -0.185 4.155 4.340 0.000 0.000 0.209 407 L C 2.570 179.507 176.870 0.111 0.000 1.083 407 L CA 2.391 57.296 54.840 0.109 0.000 0.752 407 L CB -0.896 41.103 42.059 -0.099 0.000 0.899 407 L HN 0.409 nan 8.230 nan 0.000 0.433 408 T N -4.392 110.242 114.554 0.133 0.000 2.904 408 T HA -0.117 4.233 4.350 0.000 0.000 0.267 408 T C 1.794 176.455 174.700 -0.064 0.000 1.059 408 T CA 0.831 62.980 62.100 0.083 0.000 1.137 408 T CB -0.296 68.629 68.868 0.094 0.000 0.879 408 T HN 0.366 nan 8.240 nan 0.000 0.467 409 Q N -0.183 119.579 119.800 -0.063 0.000 2.212 409 Q HA 0.118 4.458 4.340 0.000 0.000 0.199 409 Q C 0.993 176.680 176.000 -0.522 0.000 0.950 409 Q CA 1.145 56.769 55.803 -0.299 0.000 0.863 409 Q CB 0.037 28.590 28.738 -0.308 0.000 0.944 409 Q HN 0.767 nan 8.270 nan 0.000 0.465 410 Y N -1.786 118.446 120.300 -0.112 0.000 2.448 410 Y HA 0.254 4.804 4.550 0.000 0.000 0.257 410 Y C 2.009 177.794 175.900 -0.190 0.000 1.089 410 Y CA 0.071 58.092 58.100 -0.132 0.000 1.245 410 Y CB 0.250 38.680 38.460 -0.049 0.000 1.282 410 Y HN 0.084 nan 8.280 nan 0.000 0.529 411 G N 1.713 110.438 108.800 -0.125 0.000 2.469 411 G HA2 -0.301 3.659 3.960 0.000 0.000 0.220 411 G HA3 -0.301 3.659 3.960 0.000 0.000 0.220 411 G C 1.758 176.238 174.900 -0.700 0.000 1.136 411 G CA 1.247 46.186 45.100 -0.268 0.000 0.759 411 G HN 0.402 nan 8.290 nan 0.000 0.562 412 R N 0.384 120.157 120.500 -1.210 0.000 2.285 412 R HA 0.063 4.403 4.340 0.000 0.000 0.213 412 R C 1.801 177.878 176.300 -0.371 0.000 1.068 412 R CA 1.177 56.647 56.100 -1.050 0.000 1.004 412 R CB -0.541 29.124 30.300 -1.057 0.000 0.873 412 R HN 0.283 nan 8.270 nan 0.000 0.467 413 V N 1.515 121.268 119.914 -0.268 0.000 2.871 413 V HA -0.113 4.007 4.120 0.000 0.000 0.256 413 V C 2.472 178.476 176.094 -0.151 0.000 1.082 413 V CA 0.872 63.076 62.300 -0.161 0.000 1.105 413 V CB -0.389 31.367 31.823 -0.112 0.000 0.713 413 V HN 0.235 nan 8.190 nan 0.000 0.473 414 L N 0.788 121.960 121.223 -0.084 0.000 2.013 414 L HA -0.207 4.133 4.340 0.000 0.000 0.212 414 L C 2.444 179.271 176.870 -0.070 0.000 1.073 414 L CA 2.212 57.020 54.840 -0.052 0.000 0.753 414 L CB -0.229 41.900 42.059 0.116 0.000 0.890 414 L HN 0.464 nan 8.230 nan 0.000 0.432 415 R N -0.781 119.770 120.500 0.086 0.000 2.577 415 R HA 0.140 4.480 4.340 0.000 0.000 0.344 415 R C 0.536 176.992 176.300 0.259 0.000 1.037 415 R CA -0.252 55.985 56.100 0.228 0.000 1.102 415 R CB -0.075 30.420 30.300 0.325 0.000 1.313 415 R HN 0.194 nan 8.270 nan 0.000 0.561 416 Q N 2.715 122.591 119.800 0.128 0.000 2.271 416 Q HA 0.181 4.521 4.340 0.000 0.000 0.273 416 Q C -2.064 174.052 176.000 0.194 0.000 1.051 416 Q CA -2.020 53.855 55.803 0.120 0.000 0.901 416 Q CB 0.788 29.539 28.738 0.022 0.000 1.174 416 Q HN 0.032 nan 8.270 nan 0.000 0.385 417 P HA -0.054 nan 4.420 nan 0.000 0.267 417 P C -1.275 176.018 177.300 -0.011 0.000 1.200 417 P CA -0.029 63.007 63.100 -0.107 0.000 0.772 417 P CB 0.649 32.034 31.700 -0.525 0.000 0.855 418 V N 3.349 123.266 119.914 0.004 0.000 2.275 418 V HA 0.147 4.267 4.120 0.000 0.000 0.272 418 V C 0.705 176.760 176.094 -0.065 0.000 1.028 418 V CA 0.106 62.410 62.300 0.006 0.000 0.810 418 V CB 0.059 31.929 31.823 0.078 0.000 1.043 418 V HN 0.784 nan 8.190 nan 0.000 0.453 419 D N 4.170 124.536 120.400 -0.057 0.000 4.372 419 D HA -0.310 4.330 4.640 0.000 0.000 0.169 419 D C 1.323 177.606 176.300 -0.028 0.000 0.680 419 D CA 2.430 56.415 54.000 -0.025 0.000 1.152 419 D CB -0.277 40.522 40.800 -0.002 0.000 0.585 419 D HN 0.568 nan 8.370 nan 0.000 0.493 420 R N -0.148 120.361 120.500 0.016 0.000 2.468 420 R HA 0.452 4.792 4.340 0.000 0.000 0.280 420 R C -0.227 176.166 176.300 0.155 0.000 0.963 420 R CA -0.173 56.030 56.100 0.172 0.000 1.083 420 R CB 0.417 30.765 30.300 0.081 0.000 1.200 420 R HN 0.290 nan 8.270 nan 0.000 0.541 421 I N 1.177 121.685 120.570 -0.104 0.000 2.331 421 I HA 0.224 4.394 4.170 0.000 0.000 0.292 421 I C -0.568 175.192 176.117 -0.595 0.000 0.998 421 I CA -0.673 60.487 61.300 -0.233 0.000 1.267 421 I CB 0.704 38.544 38.000 -0.266 0.000 1.386 421 I HN -0.076 nan 8.210 nan 0.000 0.476 422 Y N 5.283 125.339 120.300 -0.406 0.000 2.487 422 Y HA 0.533 5.083 4.550 0.000 0.000 0.337 422 Y C -0.517 175.040 175.900 -0.572 0.000 1.076 422 Y CA -0.649 57.239 58.100 -0.354 0.000 1.115 422 Y CB 1.520 39.900 38.460 -0.132 0.000 1.235 422 Y HN 0.285 nan 8.280 nan 0.000 0.468 423 F N 1.356 121.415 119.950 0.181 0.000 2.427 423 F HA 0.704 5.231 4.527 0.000 0.000 0.348 423 F C 0.430 176.310 175.800 0.133 0.000 1.125 423 F CA -0.590 57.492 58.000 0.136 0.000 0.989 423 F CB 1.074 40.139 39.000 0.107 0.000 1.165 423 F HN 0.599 nan 8.300 nan 0.000 0.442 424 A N 2.315 125.281 122.820 0.243 0.000 3.322 424 A HA 0.957 5.277 4.320 0.000 0.000 0.201 424 A C 0.391 178.104 177.584 0.216 0.000 1.668 424 A CA -0.364 51.783 52.037 0.183 0.000 0.861 424 A CB -0.024 19.039 19.000 0.106 0.000 1.769 424 A HN 1.485 nan 8.150 nan 0.000 0.578 425 G N -2.653 106.253 108.800 0.176 0.000 2.719 425 G HA2 0.108 4.068 3.960 0.000 0.000 0.686 425 G HA3 0.108 4.068 3.960 0.000 0.000 0.686 425 G C 0.406 175.434 174.900 0.214 0.000 1.201 425 G CA 0.609 45.821 45.100 0.186 0.000 0.768 425 G HN 1.523 nan 8.290 nan 0.000 0.629 426 T N 0.044 114.726 114.554 0.213 0.000 2.833 426 T HA -0.083 4.267 4.350 0.000 0.000 0.269 426 T C 2.118 177.016 174.700 0.330 0.000 1.054 426 T CA 2.628 64.879 62.100 0.253 0.000 1.135 426 T CB -0.189 68.825 68.868 0.243 0.000 0.869 426 T HN 0.617 nan 8.240 nan 0.000 0.466 427 E N 0.596 120.997 120.200 0.336 0.000 2.209 427 E HA -0.082 4.268 4.350 0.000 0.000 0.196 427 E C 2.227 179.084 176.600 0.428 0.000 0.993 427 E CA 1.633 58.283 56.400 0.416 0.000 0.819 427 E CB -0.242 29.665 29.700 0.344 0.000 0.745 427 E HN 0.712 nan 8.360 nan 0.000 0.477 428 T N -2.442 112.326 114.554 0.356 0.000 3.107 428 T HA 0.435 4.785 4.350 0.000 0.000 0.249 428 T C 0.781 175.719 174.700 0.396 0.000 1.096 428 T CA 0.039 62.353 62.100 0.357 0.000 1.012 428 T CB 0.127 69.184 68.868 0.315 0.000 0.977 428 T HN 0.110 nan 8.240 nan 0.000 0.527 429 A N 1.713 124.771 122.820 0.395 0.000 2.346 429 A HA 0.533 4.853 4.320 0.000 0.000 0.252 429 A C 1.517 179.370 177.584 0.448 0.000 1.089 429 A CA 0.121 52.392 52.037 0.390 0.000 0.797 429 A CB 0.317 19.505 19.000 0.314 0.000 1.047 429 A HN 0.518 nan 8.150 nan 0.000 0.494 430 T N -2.574 112.219 114.554 0.399 0.000 3.010 430 T HA 0.243 4.593 4.350 0.000 0.000 0.257 430 T C 0.238 175.044 174.700 0.178 0.000 1.020 430 T CA 0.637 62.930 62.100 0.322 0.000 0.938 430 T CB -0.361 68.645 68.868 0.230 0.000 1.049 430 T HN 0.743 nan 8.240 nan 0.000 0.522 431 H N -0.987 118.109 119.070 0.043 0.000 3.018 431 H HA 0.277 4.833 4.556 0.000 0.000 0.334 431 H C -0.987 174.354 175.328 0.022 0.000 0.983 431 H CA -1.144 54.853 56.048 -0.086 0.000 1.363 431 H CB 0.878 30.651 29.762 0.019 0.000 1.668 431 H HN 0.313 nan 8.280 nan 0.000 0.513 432 W N 2.155 123.199 121.300 -0.427 0.000 5.538 432 W HA -0.251 4.409 4.660 0.000 0.000 0.377 432 W C 0.519 176.960 176.519 -0.129 0.000 1.406 432 W CA 0.881 57.926 57.345 -0.499 0.000 0.940 432 W CB -1.708 27.364 29.460 -0.647 0.000 2.536 432 W HN 0.382 nan 8.180 nan 0.000 1.504 433 S N 0.474 116.207 115.700 0.055 0.000 2.558 433 S HA 0.355 4.825 4.470 0.000 0.000 0.291 433 S C 1.439 176.248 174.600 0.347 0.000 1.306 433 S CA 1.829 60.176 58.200 0.245 0.000 1.056 433 S CB 0.697 64.108 63.200 0.351 0.000 0.836 433 S HN 1.448 nan 8.310 nan 0.000 0.504 434 G N 2.920 112.007 108.800 0.478 0.000 2.213 434 G HA2 -0.218 3.742 3.960 0.000 0.000 0.236 434 G HA3 -0.218 3.742 3.960 0.000 0.000 0.236 434 G C -0.163 174.879 174.900 0.237 0.000 0.991 434 G CA 0.368 45.760 45.100 0.487 0.000 0.629 434 G HN 0.679 nan 8.290 nan 0.000 0.517 435 Y N -0.610 119.796 120.300 0.177 0.000 2.631 435 Y HA 0.721 5.271 4.550 0.000 0.000 0.328 435 Y C 1.986 177.920 175.900 0.056 0.000 1.118 435 Y CA -0.737 57.416 58.100 0.087 0.000 1.206 435 Y CB 0.772 39.268 38.460 0.060 0.000 1.337 435 Y HN -0.029 nan 8.280 nan 0.000 0.515 436 M N -0.152 119.554 119.600 0.175 0.000 2.108 436 M HA -0.197 4.283 4.480 0.000 0.000 0.261 436 M C 1.866 178.224 176.300 0.097 0.000 1.066 436 M CA 1.955 57.322 55.300 0.111 0.000 1.107 436 M CB -0.250 32.407 32.600 0.096 0.000 1.356 436 M HN 0.786 nan 8.290 nan 0.000 0.406 437 E N 0.739 120.972 120.200 0.055 0.000 2.049 437 E HA -0.172 4.178 4.350 0.000 0.000 0.198 437 E C 1.943 178.601 176.600 0.095 0.000 1.007 437 E CA 2.175 58.574 56.400 -0.002 0.000 0.809 437 E CB -0.721 28.850 29.700 -0.216 0.000 0.749 437 E HN 0.438 nan 8.360 nan 0.000 0.450 438 G N -0.051 108.855 108.800 0.177 0.000 2.432 438 G HA2 -0.210 3.750 3.960 0.000 0.000 0.219 438 G HA3 -0.210 3.750 3.960 0.000 0.000 0.219 438 G C 1.706 176.717 174.900 0.185 0.000 1.135 438 G CA 1.121 46.348 45.100 0.212 0.000 0.767 438 G HN 0.482 nan 8.290 nan 0.000 0.550 439 A N 0.241 123.158 122.820 0.162 0.000 1.908 439 A HA 0.032 4.352 4.320 0.000 0.000 0.218 439 A C 2.608 180.250 177.584 0.097 0.000 1.181 439 A CA 1.947 54.063 52.037 0.131 0.000 0.627 439 A CB -0.604 18.461 19.000 0.108 0.000 0.818 439 A HN 0.272 nan 8.150 nan 0.000 0.445 440 V N 0.054 120.017 119.914 0.081 0.000 2.307 440 V HA -0.251 3.869 4.120 0.000 0.000 0.245 440 V C 2.528 178.657 176.094 0.058 0.000 1.045 440 V CA 2.158 64.491 62.300 0.055 0.000 1.024 440 V CB -0.789 31.060 31.823 0.042 0.000 0.651 440 V HN 0.759 nan 8.190 nan 0.000 0.449 441 E N 0.628 120.881 120.200 0.088 0.000 2.058 441 E HA -0.276 4.074 4.350 0.000 0.000 0.194 441 E C 2.211 178.844 176.600 0.055 0.000 0.997 441 E CA 1.767 58.226 56.400 0.098 0.000 0.801 441 E CB -0.190 29.615 29.700 0.175 0.000 0.746 441 E HN 0.546 nan 8.360 nan 0.000 0.450 442 A N 0.633 123.509 122.820 0.094 0.000 1.930 442 A HA -0.033 4.287 4.320 0.000 0.000 0.217 442 A C 2.399 180.000 177.584 0.029 0.000 1.175 442 A CA 1.587 53.671 52.037 0.078 0.000 0.627 442 A CB -0.947 18.148 19.000 0.158 0.000 0.815 442 A HN 0.451 nan 8.150 nan 0.000 0.443 443 G N -0.342 108.480 108.800 0.036 0.000 2.404 443 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 443 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 443 G C 1.434 176.316 174.900 -0.030 0.000 1.174 443 G CA 0.937 46.046 45.100 0.014 0.000 0.780 443 G HN 0.640 nan 8.290 nan 0.000 0.537 444 E N -0.178 119.999 120.200 -0.038 0.000 2.072 444 E HA -0.069 4.281 4.350 0.000 0.000 0.191 444 E C 2.577 179.096 176.600 -0.135 0.000 0.985 444 E CA 0.244 56.604 56.400 -0.067 0.000 0.801 444 E CB -0.116 29.559 29.700 -0.041 0.000 0.750 444 E HN 0.180 nan 8.360 nan 0.000 0.452 445 R N 1.226 121.609 120.500 -0.195 0.000 2.083 445 R HA -0.128 4.212 4.340 0.000 0.000 0.237 445 R C 2.144 178.264 176.300 -0.300 0.000 1.137 445 R CA 1.602 57.471 56.100 -0.385 0.000 0.951 445 R CB -0.401 29.489 30.300 -0.683 0.000 0.851 445 R HN 0.163 nan 8.270 nan 0.000 0.434 446 A N 0.703 123.421 122.820 -0.169 0.000 1.902 446 A HA -0.068 4.252 4.320 0.000 0.000 0.217 446 A C 2.417 179.892 177.584 -0.181 0.000 1.181 446 A CA 1.826 53.803 52.037 -0.101 0.000 0.623 446 A CB -0.708 18.294 19.000 0.003 0.000 0.818 446 A HN 0.514 nan 8.150 nan 0.000 0.443 447 A N -0.102 122.627 122.820 -0.151 0.000 1.908 447 A HA -0.189 4.131 4.320 0.000 0.000 0.218 447 A C 2.250 179.712 177.584 -0.205 0.000 1.181 447 A CA 1.593 53.532 52.037 -0.162 0.000 0.627 447 A CB -0.473 18.466 19.000 -0.101 0.000 0.818 447 A HN 0.554 nan 8.150 nan 0.000 0.445 448 R N -0.453 119.933 120.500 -0.190 0.000 2.115 448 R HA -0.086 4.254 4.340 0.000 0.000 0.230 448 R C 2.025 178.207 176.300 -0.197 0.000 1.111 448 R CA 1.258 57.253 56.100 -0.174 0.000 0.976 448 R CB -0.285 29.922 30.300 -0.156 0.000 0.870 448 R HN 0.684 nan 8.270 nan 0.000 0.445 449 E N 0.713 120.758 120.200 -0.258 0.000 2.085 449 E HA -0.202 4.148 4.350 0.000 0.000 0.194 449 E C 1.961 178.263 176.600 -0.497 0.000 0.994 449 E CA 1.163 57.400 56.400 -0.272 0.000 0.801 449 E CB -0.105 29.464 29.700 -0.220 0.000 0.743 449 E HN 0.348 nan 8.360 nan 0.000 0.453 450 I N 0.840 120.992 120.570 -0.697 0.000 2.252 450 I HA -0.259 3.911 4.170 0.000 0.000 0.245 450 I C 2.304 178.105 176.117 -0.526 0.000 1.102 450 I CA 0.818 61.606 61.300 -0.854 0.000 1.385 450 I CB -0.144 37.394 38.000 -0.770 0.000 1.064 450 I HN 0.109 nan 8.210 nan 0.000 0.414 451 L N -0.042 120.996 121.223 -0.309 0.000 2.079 451 L HA -0.282 4.058 4.340 0.000 0.000 0.210 451 L C 2.713 179.505 176.870 -0.130 0.000 1.081 451 L CA 1.610 56.342 54.840 -0.180 0.000 0.752 451 L CB -0.902 41.090 42.059 -0.113 0.000 0.896 451 L HN 0.357 nan 8.230 nan 0.000 0.433 452 H N 0.129 119.089 119.070 -0.183 0.000 2.321 452 H HA -0.124 4.432 4.556 0.000 0.000 0.300 452 H C 2.144 177.408 175.328 -0.108 0.000 1.087 452 H CA 1.529 57.508 56.048 -0.114 0.000 1.319 452 H CB 0.019 29.733 29.762 -0.079 0.000 1.379 452 H HN 0.251 nan 8.280 nan 0.000 0.501 453 A N 0.618 123.250 122.820 -0.313 0.000 1.940 453 A HA -0.194 4.126 4.320 0.000 0.000 0.219 453 A C 2.330 179.797 177.584 -0.195 0.000 1.176 453 A CA 1.967 53.837 52.037 -0.279 0.000 0.631 453 A CB -0.715 18.110 19.000 -0.291 0.000 0.814 453 A HN 0.585 nan 8.150 nan 0.000 0.446 454 M N -1.394 118.083 119.600 -0.205 0.000 2.659 454 M HA 0.144 4.624 4.480 0.000 0.000 0.243 454 M C 1.363 177.617 176.300 -0.078 0.000 1.111 454 M CA 0.817 56.073 55.300 -0.074 0.000 1.070 454 M CB 0.087 32.653 32.600 -0.056 0.000 1.525 454 M HN 0.644 nan 8.290 nan 0.000 0.517 455 G N 0.878 109.592 108.800 -0.142 0.000 2.143 455 G HA2 -0.272 3.688 3.960 0.000 0.000 0.249 455 G HA3 -0.272 3.688 3.960 0.000 0.000 0.249 455 G C 0.868 175.733 174.900 -0.058 0.000 0.981 455 G CA 0.490 45.524 45.100 -0.110 0.000 0.665 455 G HN 0.472 nan 8.290 nan 0.000 0.528 456 K N -0.368 119.998 120.400 -0.056 0.000 2.243 456 K HA 0.321 4.641 4.320 0.000 0.000 0.201 456 K C 1.364 177.959 176.600 -0.008 0.000 1.051 456 K CA 1.305 57.574 56.287 -0.031 0.000 0.970 456 K CB 0.246 32.722 32.500 -0.041 0.000 0.755 456 K HN 0.819 nan 8.250 nan 0.000 0.465 457 I N -1.965 118.615 120.570 0.016 0.000 2.894 457 I HA 0.466 4.636 4.170 0.000 0.000 0.302 457 I C -3.027 173.168 176.117 0.130 0.000 1.188 457 I CA -2.912 58.417 61.300 0.049 0.000 1.014 457 I CB 2.479 40.495 38.000 0.027 0.000 1.242 457 I HN -0.250 nan 8.210 nan 0.000 0.430 458 P HA 0.162 nan 4.420 nan 0.000 0.276 458 P C 0.182 177.529 177.300 0.078 0.000 1.261 458 P CA -0.054 63.132 63.100 0.142 0.000 0.800 458 P CB 1.215 32.959 31.700 0.072 0.000 1.066 459 E N 0.507 120.686 120.200 -0.035 0.000 2.118 459 E HA -0.212 4.138 4.350 0.000 0.000 0.195 459 E C 1.100 177.630 176.600 -0.115 0.000 0.992 459 E CA 1.486 57.685 56.400 -0.335 0.000 0.804 459 E CB -0.156 29.369 29.700 -0.290 0.000 0.741 459 E HN 0.471 nan 8.360 nan 0.000 0.458 460 D N -0.230 120.155 120.400 -0.024 0.000 2.378 460 D HA -0.155 4.485 4.640 0.000 0.000 0.222 460 D C 0.863 177.188 176.300 0.042 0.000 0.980 460 D CA 0.576 54.590 54.000 0.024 0.000 0.907 460 D CB -0.133 40.681 40.800 0.024 0.000 0.899 460 D HN 0.347 nan 8.370 nan 0.000 0.527 461 E N -0.015 120.197 120.200 0.020 0.000 2.474 461 E HA 0.134 4.484 4.350 0.000 0.000 0.195 461 E C 1.964 178.562 176.600 -0.002 0.000 1.039 461 E CA -0.288 56.124 56.400 0.020 0.000 0.881 461 E CB 0.328 30.036 29.700 0.013 0.000 0.970 461 E HN 0.329 nan 8.360 nan 0.000 0.486 462 I N -0.034 120.527 120.570 -0.016 0.000 2.179 462 I HA -0.179 3.991 4.170 0.000 0.000 0.242 462 I C 0.485 176.472 176.117 -0.217 0.000 1.088 462 I CA 1.067 62.297 61.300 -0.117 0.000 1.357 462 I CB 0.054 37.980 38.000 -0.123 0.000 1.051 462 I HN 0.103 nan 8.210 nan 0.000 0.409 463 W N 2.029 123.327 121.300 -0.005 0.000 2.335 463 W HA 0.462 5.122 4.660 0.000 0.000 0.307 463 W C -0.285 176.240 176.519 0.009 0.000 1.117 463 W CA -0.266 57.087 57.345 0.013 0.000 1.228 463 W CB 0.535 30.005 29.460 0.016 0.000 1.240 463 W HN -0.026 nan 8.180 nan 0.000 0.468 464 Q N 2.150 122.059 119.800 0.183 0.000 2.337 464 Q HA 0.373 4.713 4.340 0.000 0.000 0.270 464 Q C 0.069 176.142 176.000 0.121 0.000 1.043 464 Q CA -0.850 55.024 55.803 0.119 0.000 0.794 464 Q CB 2.364 31.137 28.738 0.058 0.000 1.281 464 Q HN 0.528 nan 8.270 nan 0.000 0.446 465 S N 1.155 116.912 115.700 0.096 0.000 2.589 465 S HA 0.270 4.740 4.470 0.000 0.000 0.265 465 S C -0.144 174.497 174.600 0.069 0.000 1.342 465 S CA -0.505 57.744 58.200 0.081 0.000 1.005 465 S CB 1.201 64.432 63.200 0.052 0.000 0.909 465 S HN 0.600 nan 8.310 nan 0.000 0.555 466 E N 0.979 121.221 120.200 0.071 0.000 2.199 466 E HA 0.571 4.921 4.350 0.000 0.000 0.265 466 E C -2.779 173.851 176.600 0.050 0.000 0.882 466 E CA -2.207 54.230 56.400 0.062 0.000 0.759 466 E CB 0.959 30.706 29.700 0.079 0.000 1.148 466 E HN 0.539 nan 8.360 nan 0.000 0.412 467 P HA 0.050 nan 4.420 nan 0.000 0.266 467 P C -0.759 176.559 177.300 0.031 0.000 1.195 467 P CA -0.114 63.004 63.100 0.029 0.000 0.768 467 P CB 0.494 32.208 31.700 0.023 0.000 0.838 468 E N 1.778 121.994 120.200 0.028 0.000 2.414 468 E HA 0.060 4.410 4.350 0.000 0.000 0.263 468 E C -0.063 176.547 176.600 0.017 0.000 1.000 468 E CA -0.226 56.190 56.400 0.026 0.000 0.914 468 E CB 0.372 30.085 29.700 0.022 0.000 0.948 468 E HN 0.375 nan 8.360 nan 0.000 0.444 469 S N 2.915 118.622 115.700 0.012 0.000 2.563 469 S HA -0.059 4.411 4.470 0.000 0.000 0.294 469 S C 1.115 175.718 174.600 0.005 0.000 1.279 469 S CA -0.052 58.152 58.200 0.007 0.000 1.069 469 S CB 0.727 63.925 63.200 -0.004 0.000 0.828 469 S HN 0.541 nan 8.310 nan 0.000 0.497 470 V N 1.853 121.772 119.914 0.007 0.000 3.129 470 V HA 0.115 4.235 4.120 0.000 0.000 0.259 470 V C 1.333 177.430 176.094 0.004 0.000 1.116 470 V CA 1.237 63.541 62.300 0.006 0.000 1.127 470 V CB -0.444 31.384 31.823 0.008 0.000 0.742 470 V HN 0.791 nan 8.190 nan 0.000 0.474 471 D N 1.116 121.519 120.400 0.004 0.000 2.240 471 D HA 0.109 4.749 4.640 0.000 0.000 0.206 471 D C 0.810 177.105 176.300 -0.009 0.000 0.963 471 D CA 1.085 55.086 54.000 0.002 0.000 0.863 471 D CB 0.875 41.681 40.800 0.008 0.000 0.973 471 D HN 0.521 nan 8.370 nan 0.000 0.501 472 V N 3.439 123.342 119.914 -0.017 0.000 2.405 472 V HA 0.211 4.332 4.120 0.000 0.000 0.253 472 V C -2.439 173.640 176.094 -0.025 0.000 0.963 472 V CA -1.206 61.075 62.300 -0.033 0.000 1.003 472 V CB 1.273 33.059 31.823 -0.063 0.000 1.251 472 V HN -0.044 nan 8.190 nan 0.000 0.520 473 P HA 0.494 nan 4.420 nan 0.000 0.279 473 P C -0.428 176.869 177.300 -0.005 0.000 1.252 473 P CA -0.179 62.918 63.100 -0.005 0.000 0.811 473 P CB 1.782 33.481 31.700 -0.000 0.000 1.035 474 A N 2.615 125.437 122.820 0.004 0.000 2.289 474 A HA 0.313 4.633 4.320 0.000 0.000 0.298 474 A C 0.332 177.920 177.584 0.007 0.000 1.208 474 A CA -0.506 51.536 52.037 0.009 0.000 0.845 474 A CB 0.101 19.119 19.000 0.028 0.000 1.125 474 A HN 0.446 nan 8.150 nan 0.000 0.517 475 Q N 2.517 122.319 119.800 0.003 0.000 2.327 475 Q HA 0.308 4.648 4.340 0.000 0.000 0.254 475 Q C -2.216 173.786 176.000 0.004 0.000 0.952 475 Q CA -1.551 54.254 55.803 0.002 0.000 0.884 475 Q CB 0.673 29.411 28.738 -0.001 0.000 1.224 475 Q HN 0.561 nan 8.270 nan 0.000 0.422 476 P HA 0.188 nan 4.420 nan 0.000 0.272 476 P C -0.377 176.921 177.300 -0.003 0.000 1.230 476 P CA -0.317 62.782 63.100 -0.001 0.000 0.788 476 P CB 0.754 32.452 31.700 -0.002 0.000 0.949 477 I N 1.877 122.442 120.570 -0.008 0.000 2.312 477 I HA 0.197 4.367 4.170 0.000 0.000 0.291 477 I C 1.111 177.223 176.117 -0.008 0.000 1.031 477 I CA 0.014 61.308 61.300 -0.009 0.000 1.293 477 I CB 0.184 38.174 38.000 -0.018 0.000 1.403 477 I HN 0.392 nan 8.210 nan 0.000 0.484 478 T N 2.042 116.596 114.554 0.000 0.000 2.932 478 T HA 0.810 5.160 4.350 0.000 0.000 0.289 478 T C 0.094 174.799 174.700 0.007 0.000 1.039 478 T CA -0.670 61.432 62.100 0.004 0.000 1.024 478 T CB 2.243 71.118 68.868 0.012 0.000 1.090 478 T HN 0.633 nan 8.240 nan 0.000 0.496 479 T N -1.412 113.145 114.554 0.005 0.000 2.926 479 T HA 0.761 5.111 4.350 0.000 0.000 0.289 479 T C 0.231 174.948 174.700 0.028 0.000 1.054 479 T CA -0.678 61.425 62.100 0.005 0.000 1.015 479 T CB 1.343 70.192 68.868 -0.030 0.000 1.167 479 T HN 1.019 nan 8.240 nan 0.000 0.526 480 T N -0.968 113.611 114.554 0.042 0.000 2.927 480 T HA 0.455 4.805 4.350 0.000 0.000 0.281 480 T C 0.813 175.578 174.700 0.107 0.000 0.998 480 T CA -0.866 61.288 62.100 0.091 0.000 1.019 480 T CB 0.817 69.746 68.868 0.102 0.000 1.061 480 T HN 0.511 nan 8.240 nan 0.000 0.518 481 F N 0.737 120.716 119.950 0.049 0.000 2.091 481 F HA -0.059 4.468 4.527 0.000 0.000 0.299 481 F C 1.953 177.826 175.800 0.122 0.000 1.103 481 F CA 1.545 59.612 58.000 0.111 0.000 1.228 481 F CB -0.476 38.595 39.000 0.118 0.000 0.984 481 F HN 0.501 nan 8.300 nan 0.000 0.477 482 L N -0.217 121.103 121.223 0.161 0.000 2.056 482 L HA -0.200 4.140 4.340 0.000 0.000 0.207 482 L C 2.376 179.242 176.870 -0.007 0.000 1.078 482 L CA 1.660 56.544 54.840 0.074 0.000 0.749 482 L CB -0.788 41.356 42.059 0.141 0.000 0.901 482 L HN 0.213 nan 8.230 nan 0.000 0.433 483 E N -0.004 120.198 120.200 0.004 0.000 2.077 483 E HA -0.228 4.122 4.350 0.000 0.000 0.193 483 E C 2.312 178.817 176.600 -0.158 0.000 0.989 483 E CA 1.101 57.480 56.400 -0.034 0.000 0.800 483 E CB -0.046 29.653 29.700 -0.002 0.000 0.746 483 E HN 0.423 nan 8.360 nan 0.000 0.452 484 R N -0.204 120.130 120.500 -0.277 0.000 2.096 484 R HA -0.087 4.253 4.340 0.000 0.000 0.235 484 R C 1.825 177.742 176.300 -0.638 0.000 1.127 484 R CA 1.196 56.986 56.100 -0.516 0.000 0.968 484 R CB -0.084 29.764 30.300 -0.754 0.000 0.861 484 R HN 0.323 nan 8.270 nan 0.000 0.440 485 H N -0.848 118.029 119.070 -0.321 0.000 2.874 485 H HA 0.218 4.774 4.556 0.000 0.000 0.264 485 H C 0.433 175.645 175.328 -0.194 0.000 1.007 485 H CA -0.229 55.627 56.048 -0.320 0.000 1.207 485 H CB 0.430 29.852 29.762 -0.566 0.000 1.487 485 H HN 0.031 nan 8.280 nan 0.000 0.505 486 L N 4.350 125.539 121.223 -0.057 0.000 2.514 486 L HA 0.037 4.377 4.340 0.000 0.000 0.280 486 L C -1.614 175.227 176.870 -0.049 0.000 1.223 486 L CA -1.324 53.506 54.840 -0.017 0.000 0.864 486 L CB 0.269 42.351 42.059 0.037 0.000 1.118 486 L HN 0.002 nan 8.230 nan 0.000 0.494 487 P HA 0.118 nan 4.420 nan 0.000 0.274 487 P C -0.596 176.637 177.300 -0.110 0.000 1.246 487 P CA -0.584 62.469 63.100 -0.077 0.000 0.795 487 P CB 0.955 32.610 31.700 -0.075 0.000 1.006 488 S N -0.049 115.565 115.700 -0.145 0.000 2.626 488 S HA 0.091 4.561 4.470 0.000 0.000 0.257 488 S C 1.510 175.951 174.600 -0.264 0.000 1.288 488 S CA -0.528 57.555 58.200 -0.195 0.000 0.980 488 S CB -0.418 62.659 63.200 -0.206 0.000 0.975 488 S HN 0.213 nan 8.310 nan 0.000 0.577 489 V N 2.347 122.034 119.914 -0.378 0.000 2.261 489 V HA -0.062 4.058 4.120 0.000 0.000 0.246 489 V C -0.525 175.149 176.094 -0.700 0.000 1.047 489 V CA 1.866 63.865 62.300 -0.501 0.000 1.015 489 V CB -1.852 29.668 31.823 -0.506 0.000 0.642 489 V HN 0.788 nan 8.190 nan 0.000 0.446 490 P HA -0.089 nan 4.420 nan 0.000 0.220 490 P C 1.738 178.825 177.300 -0.354 0.000 1.148 490 P CA 1.845 64.495 63.100 -0.750 0.000 0.803 490 P CB -0.273 31.071 31.700 -0.593 0.000 0.782 491 G N 0.785 109.418 108.800 -0.278 0.000 2.418 491 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 491 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 491 G C 1.505 176.319 174.900 -0.144 0.000 1.158 491 G CA 0.626 45.628 45.100 -0.165 0.000 0.771 491 G HN 0.255 nan 8.290 nan 0.000 0.545 492 L N 0.391 121.513 121.223 -0.168 0.000 2.083 492 L HA 0.122 4.462 4.340 0.000 0.000 0.209 492 L C 2.643 179.444 176.870 -0.115 0.000 1.083 492 L CA 1.333 56.099 54.840 -0.123 0.000 0.752 492 L CB -0.339 41.650 42.059 -0.117 0.000 0.899 492 L HN 0.206 nan 8.230 nan 0.000 0.433 493 L N -1.005 120.119 121.223 -0.164 0.000 2.093 493 L HA -0.159 4.181 4.340 0.000 0.000 0.208 493 L C 2.772 179.593 176.870 -0.082 0.000 1.085 493 L CA 1.056 55.823 54.840 -0.122 0.000 0.755 493 L CB -0.523 41.439 42.059 -0.162 0.000 0.904 493 L HN 0.227 nan 8.230 nan 0.000 0.435 494 R N -0.394 120.051 120.500 -0.092 0.000 2.083 494 R HA -0.183 4.157 4.340 0.000 0.000 0.237 494 R C 2.206 178.480 176.300 -0.043 0.000 1.137 494 R CA 1.192 57.258 56.100 -0.057 0.000 0.951 494 R CB -0.428 29.837 30.300 -0.058 0.000 0.851 494 R HN 0.171 nan 8.270 nan 0.000 0.434 495 L N 0.855 122.049 121.223 -0.049 0.000 2.012 495 L HA -0.180 4.160 4.340 0.000 0.000 0.210 495 L C 2.267 179.121 176.870 -0.027 0.000 1.073 495 L CA 1.602 56.421 54.840 -0.035 0.000 0.748 495 L CB -0.774 41.264 42.059 -0.035 0.000 0.891 495 L HN 0.185 nan 8.230 nan 0.000 0.431 496 I N -0.888 119.664 120.570 -0.031 0.000 2.163 496 I HA -0.267 3.903 4.170 0.000 0.000 0.243 496 I C 2.493 178.601 176.117 -0.015 0.000 1.085 496 I CA 1.484 62.772 61.300 -0.021 0.000 1.347 496 I CB -0.872 37.114 38.000 -0.023 0.000 1.044 496 I HN 0.346 nan 8.210 nan 0.000 0.408 497 G N 0.780 109.570 108.800 -0.017 0.000 2.418 497 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 497 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 497 G C 1.602 176.497 174.900 -0.007 0.000 1.158 497 G CA 0.484 45.578 45.100 -0.009 0.000 0.771 497 G HN 0.194 nan 8.290 nan 0.000 0.545 498 L N 1.048 122.265 121.223 -0.011 0.000 1.994 498 L HA -0.009 4.331 4.340 0.000 0.000 0.208 498 L C 3.011 179.877 176.870 -0.006 0.000 1.071 498 L CA 2.445 57.280 54.840 -0.008 0.000 0.745 498 L CB -1.197 40.855 42.059 -0.011 0.000 0.892 498 L HN 0.202 nan 8.230 nan 0.000 0.431 499 T N -1.030 113.520 114.554 -0.007 0.000 2.684 499 T HA -0.188 4.162 4.350 0.000 0.000 0.267 499 T C 1.576 176.274 174.700 -0.003 0.000 1.036 499 T CA 2.032 64.129 62.100 -0.005 0.000 1.148 499 T CB -0.570 68.295 68.868 -0.006 0.000 0.863 499 T HN 0.650 nan 8.240 nan 0.000 0.436 500 T N -0.723 113.829 114.554 -0.003 0.000 3.148 500 T HA 0.296 4.646 4.350 0.000 0.000 0.253 500 T C 0.848 175.548 174.700 0.000 0.000 1.134 500 T CA -0.031 62.069 62.100 -0.001 0.000 1.051 500 T CB -0.444 68.425 68.868 0.000 0.000 0.959 500 T HN 0.253 nan 8.240 nan 0.000 0.525 501 I N 0.000 120.570 120.570 -0.001 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.300 61.300 0.000 0.000 1.566 501 I CB 0.000 38.000 38.000 -0.000 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494