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 1s3e_1_B 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 LRLI 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 0.000 175.510 175.510 0.001 0.000 1.280 3 N CA 0.000 52.953 53.050 -0.162 0.000 0.885 3 N CB 0.000 38.420 38.487 -0.111 0.000 1.341 4 K N 0.660 121.076 120.400 0.026 0.000 2.185 4 K HA 0.621 4.941 4.320 -0.000 0.000 0.269 4 K C -0.682 175.957 176.600 0.066 0.000 0.987 4 K CA -0.626 55.687 56.287 0.044 0.000 0.865 4 K CB 1.828 34.339 32.500 0.018 0.000 1.090 4 K HN 0.584 nan 8.250 nan 0.000 0.450 5 C N -1.100 118.244 119.300 0.073 0.000 3.316 5 C HA 0.415 4.875 4.460 -0.000 0.000 0.360 5 C C 0.713 175.738 174.990 0.058 0.000 1.560 5 C CA -0.781 58.279 59.018 0.070 0.000 1.229 5 C CB 0.908 28.701 27.740 0.089 0.000 1.823 5 C HN 0.788 nan 8.230 nan 0.000 0.440 6 D N 0.226 120.663 120.400 0.062 0.000 2.149 6 D HA 0.139 4.779 4.640 -0.000 0.000 0.206 6 D C 0.287 176.650 176.300 0.105 0.000 0.967 6 D CA 1.685 55.731 54.000 0.076 0.000 0.848 6 D CB 0.282 41.126 40.800 0.074 0.000 0.998 6 D HN 0.475 nan 8.370 nan 0.000 0.474 7 V N 1.432 121.399 119.914 0.088 0.000 2.638 7 V HA 0.271 4.391 4.120 -0.000 0.000 0.306 7 V C -0.158 175.966 176.094 0.050 0.000 1.052 7 V CA -0.842 61.512 62.300 0.090 0.000 0.885 7 V CB 2.807 34.673 31.823 0.071 0.000 0.999 7 V HN -0.238 nan 8.190 nan 0.000 0.424 8 V N 5.091 125.030 119.914 0.041 0.000 2.407 8 V HA 0.422 4.542 4.120 -0.000 0.000 0.278 8 V C -0.100 175.986 176.094 -0.013 0.000 1.037 8 V CA -0.435 61.860 62.300 -0.009 0.000 0.900 8 V CB 1.870 33.682 31.823 -0.019 0.000 0.983 8 V HN 0.636 nan 8.190 nan 0.000 0.459 9 V N 6.196 126.087 119.914 -0.037 0.000 2.370 9 V HA 0.340 4.460 4.120 -0.000 0.000 0.283 9 V C -0.023 176.044 176.094 -0.044 0.000 1.023 9 V CA -0.568 61.716 62.300 -0.027 0.000 0.857 9 V CB 1.778 33.589 31.823 -0.021 0.000 0.985 9 V HN 0.602 nan 8.190 nan 0.000 0.443 10 V N 4.570 124.472 119.914 -0.021 0.000 2.368 10 V HA 0.815 4.935 4.120 -0.000 0.000 0.266 10 V C 0.672 176.770 176.094 0.007 0.000 1.045 10 V CA 0.396 62.685 62.300 -0.019 0.000 0.899 10 V CB 0.491 32.319 31.823 0.007 0.000 1.006 10 V HN 1.267 nan 8.190 nan 0.000 0.470 11 G N 3.640 112.433 108.800 -0.013 0.000 3.233 11 G HA2 0.190 4.150 3.960 -0.000 0.000 0.686 11 G HA3 0.190 4.150 3.960 -0.000 0.000 0.686 11 G C 0.076 174.979 174.900 0.005 0.000 1.153 11 G CA -0.495 44.609 45.100 0.008 0.000 0.853 11 G HN 1.236 nan 8.290 nan 0.000 0.582 12 G N 0.823 109.624 108.800 0.002 0.000 4.098 12 G HA2 0.684 4.644 3.960 -0.000 0.000 0.300 12 G HA3 0.684 4.644 3.960 -0.000 0.000 0.300 12 G C 0.887 175.804 174.900 0.028 0.000 1.187 12 G CA 0.932 46.034 45.100 0.004 0.000 0.964 12 G HN 1.299 nan 8.290 nan 0.000 0.559 13 G N -0.081 108.747 108.800 0.047 0.000 2.535 13 G HA2 0.339 4.299 3.960 -0.000 0.000 0.282 13 G HA3 0.339 4.299 3.960 -0.000 0.000 0.282 13 G C 1.188 176.116 174.900 0.047 0.000 1.350 13 G CA -0.737 44.400 45.100 0.062 0.000 1.039 13 G HN 0.139 nan 8.290 nan 0.000 0.509 14 I N -0.581 120.020 120.570 0.051 0.000 2.264 14 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 14 I C 3.013 179.155 176.117 0.041 0.000 1.111 14 I CA 1.573 62.895 61.300 0.038 0.000 1.382 14 I CB -0.088 37.938 38.000 0.043 0.000 1.060 14 I HN 0.462 nan 8.210 nan 0.000 0.418 15 S N 0.483 116.219 115.700 0.061 0.000 2.355 15 S HA -0.117 4.353 4.470 -0.000 0.000 0.222 15 S C 2.096 176.723 174.600 0.045 0.000 1.031 15 S CA 1.585 59.824 58.200 0.065 0.000 0.993 15 S CB -0.547 62.710 63.200 0.095 0.000 0.859 15 S HN 0.572 nan 8.310 nan 0.000 0.453 16 G N 1.431 110.256 108.800 0.042 0.000 2.402 16 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 16 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 16 G C 1.443 176.347 174.900 0.006 0.000 1.162 16 G CA 0.891 46.006 45.100 0.024 0.000 0.777 16 G HN 0.386 nan 8.290 nan 0.000 0.539 17 M N 1.297 120.899 119.600 0.004 0.000 2.117 17 M HA 0.075 4.555 4.480 -0.000 0.000 0.262 17 M C 2.989 179.283 176.300 -0.011 0.000 1.065 17 M CA 1.194 56.487 55.300 -0.011 0.000 1.114 17 M CB -1.359 31.233 32.600 -0.014 0.000 1.361 17 M HN 0.311 nan 8.290 nan 0.000 0.408 18 A N 0.178 122.997 122.820 -0.001 0.000 1.902 18 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 18 A C 2.456 180.038 177.584 -0.003 0.000 1.181 18 A CA 2.121 54.157 52.037 -0.001 0.000 0.623 18 A CB -0.909 18.096 19.000 0.009 0.000 0.818 18 A HN 0.469 nan 8.150 nan 0.000 0.443 19 A N -0.082 122.737 122.820 -0.002 0.000 1.877 19 A HA 0.156 4.476 4.320 -0.000 0.000 0.216 19 A C 2.530 180.109 177.584 -0.008 0.000 1.186 19 A CA 2.174 54.203 52.037 -0.012 0.000 0.620 19 A CB -1.092 17.902 19.000 -0.010 0.000 0.822 19 A HN 1.068 nan 8.150 nan 0.000 0.443 20 A N -0.319 122.499 122.820 -0.005 0.000 1.902 20 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 20 A C 2.147 179.746 177.584 0.025 0.000 1.181 20 A CA 2.033 54.072 52.037 0.002 0.000 0.623 20 A CB -0.472 18.518 19.000 -0.017 0.000 0.818 20 A HN 0.567 nan 8.150 nan 0.000 0.443 21 K N -0.464 119.942 120.400 0.010 0.000 2.026 21 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 21 K C 2.000 178.637 176.600 0.063 0.000 1.048 21 K CA 1.544 57.849 56.287 0.031 0.000 0.929 21 K CB -0.317 32.184 32.500 0.002 0.000 0.713 21 K HN 0.451 nan 8.250 nan 0.000 0.439 22 L N 1.161 122.400 121.223 0.025 0.000 2.017 22 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 22 L C 2.178 179.055 176.870 0.010 0.000 1.073 22 L CA 1.207 56.053 54.840 0.010 0.000 0.745 22 L CB -0.140 41.910 42.059 -0.015 0.000 0.894 22 L HN 0.248 nan 8.230 nan 0.000 0.432 23 L N -1.185 120.046 121.223 0.013 0.000 2.056 23 L HA -0.259 4.081 4.340 -0.000 0.000 0.207 23 L C 2.595 179.485 176.870 0.034 0.000 1.078 23 L CA 1.487 56.331 54.840 0.006 0.000 0.749 23 L CB -0.845 41.215 42.059 0.000 0.000 0.901 23 L HN 0.405 nan 8.230 nan 0.000 0.433 24 H N 0.326 119.384 119.070 -0.020 0.000 2.319 24 H HA -0.201 4.355 4.556 -0.000 0.000 0.299 24 H C 1.738 177.058 175.328 -0.013 0.000 1.092 24 H CA 2.027 58.067 56.048 -0.014 0.000 1.302 24 H CB 0.033 29.788 29.762 -0.013 0.000 1.373 24 H HN 0.213 nan 8.280 nan 0.000 0.497 25 D N -0.707 119.702 120.400 0.016 0.000 2.310 25 D HA -0.068 4.572 4.640 -0.000 0.000 0.212 25 D C 1.670 177.928 176.300 -0.071 0.000 0.965 25 D CA 0.945 54.922 54.000 -0.037 0.000 0.879 25 D CB -0.096 40.719 40.800 0.026 0.000 0.921 25 D HN 0.318 nan 8.370 nan 0.000 0.510 26 S N -1.256 114.407 115.700 -0.061 0.000 2.548 26 S HA 0.277 4.747 4.470 -0.000 0.000 0.215 26 S C 1.559 176.117 174.600 -0.071 0.000 0.976 26 S CA 0.540 58.707 58.200 -0.056 0.000 0.908 26 S CB 0.840 64.014 63.200 -0.043 0.000 0.781 26 S HN 0.430 nan 8.310 nan 0.000 0.519 27 G N 0.930 109.663 108.800 -0.112 0.000 2.179 27 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 27 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 27 G C -0.029 174.824 174.900 -0.078 0.000 0.990 27 G CA -0.402 44.631 45.100 -0.110 0.000 0.646 27 G HN 0.400 nan 8.290 nan 0.000 0.517 28 L N 0.775 121.965 121.223 -0.055 0.000 2.399 28 L HA 0.426 4.766 4.340 -0.000 0.000 0.266 28 L C 0.100 176.978 176.870 0.013 0.000 1.114 28 L CA -1.014 53.819 54.840 -0.012 0.000 0.804 28 L CB 0.641 42.702 42.059 0.002 0.000 1.146 28 L HN 0.007 nan 8.230 nan 0.000 0.451 29 N N 1.979 120.700 118.700 0.034 0.000 2.406 29 N HA 0.277 5.017 4.740 -0.000 0.000 0.251 29 N C -0.679 174.873 175.510 0.070 0.000 1.069 29 N CA -0.101 52.985 53.050 0.060 0.000 0.947 29 N CB 1.569 40.087 38.487 0.052 0.000 1.111 29 N HN 0.354 nan 8.380 nan 0.000 0.497 30 V N 0.238 120.204 119.914 0.086 0.000 2.715 30 V HA 0.749 4.869 4.120 -0.000 0.000 0.310 30 V C -0.153 175.963 176.094 0.036 0.000 1.054 30 V CA -0.704 61.631 62.300 0.059 0.000 0.928 30 V CB 1.989 33.845 31.823 0.056 0.000 1.007 30 V HN 0.157 nan 8.190 nan 0.000 0.437 31 V N 3.708 123.623 119.914 0.002 0.000 2.709 31 V HA 0.546 4.666 4.120 -0.000 0.000 0.308 31 V C -0.371 175.666 176.094 -0.096 0.000 1.062 31 V CA -0.532 61.739 62.300 -0.048 0.000 0.901 31 V CB 2.103 33.886 31.823 -0.068 0.000 1.003 31 V HN 0.849 nan 8.190 nan 0.000 0.425 32 V N 6.048 125.899 119.914 -0.105 0.000 2.370 32 V HA 0.467 4.587 4.120 -0.000 0.000 0.283 32 V C -0.246 175.754 176.094 -0.157 0.000 1.023 32 V CA -0.450 61.785 62.300 -0.107 0.000 0.857 32 V CB 1.493 33.275 31.823 -0.070 0.000 0.985 32 V HN 0.616 nan 8.190 nan 0.000 0.443 33 L N 4.578 125.694 121.223 -0.178 0.000 2.276 33 L HA 0.619 4.959 4.340 -0.000 0.000 0.286 33 L C -0.204 176.589 176.870 -0.128 0.000 1.024 33 L CA -0.359 54.361 54.840 -0.199 0.000 0.826 33 L CB 1.423 43.324 42.059 -0.262 0.000 1.211 33 L HN 0.624 nan 8.230 nan 0.000 0.422 34 E N 2.337 122.468 120.200 -0.116 0.000 2.176 34 E HA 0.502 4.852 4.350 -0.000 0.000 0.267 34 E C 0.309 176.815 176.600 -0.157 0.000 0.893 34 E CA -0.325 56.010 56.400 -0.109 0.000 0.761 34 E CB 2.074 31.731 29.700 -0.070 0.000 1.133 34 E HN 0.550 nan 8.360 nan 0.000 0.409 35 A N 5.354 128.018 122.820 -0.260 0.000 1.933 35 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 35 A C 1.068 178.439 177.584 -0.355 0.000 1.175 35 A CA 0.997 52.751 52.037 -0.472 0.000 0.628 35 A CB -0.193 18.137 19.000 -1.117 0.000 0.814 35 A HN 0.606 nan 8.150 nan 0.000 0.444 36 R N -0.114 120.253 120.500 -0.222 0.000 2.580 36 R HA 0.245 4.585 4.340 -0.000 0.000 0.267 36 R C 0.182 176.452 176.300 -0.051 0.000 1.125 36 R CA 0.142 56.188 56.100 -0.091 0.000 1.188 36 R CB 0.156 30.441 30.300 -0.024 0.000 1.155 36 R HN 0.450 nan 8.270 nan 0.000 0.586 37 D N 0.350 120.738 120.400 -0.020 0.000 2.324 37 D HA -0.038 4.602 4.640 -0.000 0.000 0.235 37 D C -0.116 176.189 176.300 0.010 0.000 1.095 37 D CA 0.111 54.108 54.000 -0.005 0.000 0.871 37 D CB -0.048 40.754 40.800 0.003 0.000 0.906 37 D HN 0.432 nan 8.370 nan 0.000 0.522 38 R N -1.268 119.240 120.500 0.013 0.000 2.764 38 R HA 0.587 4.927 4.340 -0.000 0.000 0.270 38 R C -0.677 175.648 176.300 0.041 0.000 1.014 38 R CA -1.115 55.011 56.100 0.043 0.000 0.904 38 R CB 1.199 31.549 30.300 0.083 0.000 1.236 38 R HN -0.099 nan 8.270 nan 0.000 0.466 39 V N -1.554 118.392 119.914 0.053 0.000 3.262 39 V HA 0.855 4.975 4.120 -0.000 0.000 0.313 39 V C 0.943 177.094 176.094 0.095 0.000 1.070 39 V CA 0.406 62.737 62.300 0.051 0.000 1.049 39 V CB 0.789 32.626 31.823 0.024 0.000 1.157 39 V HN 1.197 nan 8.190 nan 0.000 0.454 40 G N -0.821 108.033 108.800 0.090 0.000 2.307 40 G HA2 0.136 4.096 3.960 -0.000 0.000 0.210 40 G HA3 0.136 4.096 3.960 -0.000 0.000 0.210 40 G C 1.620 176.610 174.900 0.149 0.000 1.005 40 G CA 0.754 45.926 45.100 0.121 0.000 0.634 40 G HN 2.626 nan 8.290 nan 0.000 0.496 41 G N 0.574 109.475 108.800 0.168 0.000 2.646 41 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.324 41 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.324 41 G C 0.956 176.019 174.900 0.270 0.000 1.195 41 G CA 1.478 46.695 45.100 0.195 0.000 0.976 41 G HN 1.184 nan 8.290 nan 0.000 0.546 42 R N 1.876 122.444 120.500 0.114 0.000 2.323 42 R HA 0.213 4.553 4.340 -0.000 0.000 0.198 42 R C 1.055 177.263 176.300 -0.154 0.000 0.988 42 R CA 1.067 57.062 56.100 -0.174 0.000 1.041 42 R CB -0.189 29.976 30.300 -0.225 0.000 0.926 42 R HN 0.711 nan 8.270 nan 0.000 0.476 43 T N -2.474 112.140 114.554 0.100 0.000 2.859 43 T HA 0.375 4.725 4.350 -0.000 0.000 0.281 43 T C -0.951 173.980 174.700 0.386 0.000 1.005 43 T CA -0.649 61.559 62.100 0.180 0.000 1.025 43 T CB 1.617 70.554 68.868 0.116 0.000 0.977 43 T HN 0.108 nan 8.240 nan 0.000 0.458 44 Y N 1.120 121.574 120.300 0.256 0.000 2.313 44 Y HA 0.432 4.981 4.550 -0.000 0.000 0.320 44 Y C -1.212 174.803 175.900 0.191 0.000 1.171 44 Y CA -0.759 57.487 58.100 0.243 0.000 1.093 44 Y CB 1.587 40.245 38.460 0.330 0.000 1.224 44 Y HN 0.885 nan 8.280 nan 0.000 0.421 45 T N 7.756 122.131 114.554 -0.299 0.000 2.756 45 T HA 0.423 4.773 4.350 -0.000 0.000 0.290 45 T C -0.907 173.458 174.700 -0.558 0.000 0.985 45 T CA -0.398 61.526 62.100 -0.293 0.000 0.955 45 T CB 0.637 69.447 68.868 -0.097 0.000 0.930 45 T HN 0.574 nan 8.240 nan 0.000 0.451 46 L N 4.408 125.339 121.223 -0.486 0.000 2.312 46 L HA 0.659 4.999 4.340 -0.000 0.000 0.281 46 L C -0.318 176.482 176.870 -0.117 0.000 1.070 46 L CA -0.167 54.467 54.840 -0.344 0.000 0.805 46 L CB 0.564 42.514 42.059 -0.182 0.000 1.174 46 L HN 0.441 nan 8.230 nan 0.000 0.434 47 R N 3.502 123.957 120.500 -0.075 0.000 2.437 47 R HA 0.639 4.979 4.340 -0.000 0.000 0.310 47 R C -1.079 175.201 176.300 -0.034 0.000 0.955 47 R CA -0.579 55.501 56.100 -0.033 0.000 0.851 47 R CB 1.333 31.623 30.300 -0.016 0.000 1.161 47 R HN 0.897 nan 8.270 nan 0.000 0.446 48 N N -1.032 117.632 118.700 -0.060 0.000 3.020 48 N HA 0.083 4.823 4.740 -0.000 0.000 0.248 48 N C -0.089 175.362 175.510 -0.098 0.000 1.480 48 N CA -0.853 52.158 53.050 -0.065 0.000 0.874 48 N CB 0.678 39.131 38.487 -0.057 0.000 1.433 48 N HN 0.165 nan 8.380 nan 0.000 0.530 49 Q N -0.260 119.490 119.800 -0.084 0.000 2.124 49 Q HA 0.005 4.345 4.340 -0.000 0.000 0.202 49 Q C 0.652 176.608 176.000 -0.074 0.000 0.977 49 Q CA 1.342 57.110 55.803 -0.060 0.000 0.850 49 Q CB -0.042 28.668 28.738 -0.046 0.000 0.901 49 Q HN 0.542 nan 8.270 nan 0.000 0.429 50 K N 0.014 120.275 120.400 -0.231 0.000 2.155 50 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 50 K C 1.987 178.394 176.600 -0.322 0.000 1.052 50 K CA 1.214 57.269 56.287 -0.388 0.000 0.948 50 K CB 0.146 32.058 32.500 -0.979 0.000 0.728 50 K HN 0.255 nan 8.250 nan 0.000 0.448 51 V N -2.791 116.900 119.914 -0.372 0.000 3.645 51 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 51 V C 1.421 177.124 176.094 -0.651 0.000 1.356 51 V CA 0.589 62.627 62.300 -0.436 0.000 1.051 51 V CB 0.171 31.772 31.823 -0.370 0.000 0.828 51 V HN 0.251 nan 8.190 nan 0.000 0.441 52 K N 0.536 120.622 120.400 -0.524 0.000 10.883 52 K HA -0.305 4.015 4.320 -0.000 0.000 0.526 52 K C 0.139 176.634 176.600 -0.175 0.000 0.382 52 K CA 2.520 58.542 56.287 -0.443 0.000 1.943 52 K CB -1.457 30.561 32.500 -0.803 0.000 0.766 52 K HN 0.951 nan 8.250 nan 0.000 1.214 53 Y N -1.882 118.268 120.300 -0.251 0.000 2.571 53 Y HA 0.733 5.283 4.550 -0.000 0.000 0.341 53 Y C -1.219 174.639 175.900 -0.070 0.000 1.076 53 Y CA -0.767 57.251 58.100 -0.138 0.000 1.029 53 Y CB 2.071 40.468 38.460 -0.105 0.000 1.308 53 Y HN 0.012 nan 8.280 nan 0.000 0.461 54 V N 2.381 122.355 119.914 0.101 0.000 2.777 54 V HA 0.373 4.493 4.120 -0.000 0.000 0.306 54 V C -1.574 174.584 176.094 0.107 0.000 1.112 54 V CA -0.632 61.731 62.300 0.105 0.000 0.917 54 V CB 1.945 33.851 31.823 0.137 0.000 1.018 54 V HN 0.924 nan 8.190 nan 0.000 0.426 55 D N 5.592 126.067 120.400 0.126 0.000 2.339 55 D HA 0.292 4.932 4.640 -0.000 0.000 0.256 55 D C 0.823 177.213 176.300 0.149 0.000 1.214 55 D CA 0.249 54.311 54.000 0.104 0.000 0.877 55 D CB 1.826 42.659 40.800 0.055 0.000 1.111 55 D HN 0.525 nan 8.370 nan 0.000 0.478 56 L N 1.498 122.867 121.223 0.243 0.000 2.554 56 L HA 0.225 4.565 4.340 -0.000 0.000 0.225 56 L C 1.507 178.772 176.870 0.659 0.000 1.104 56 L CA 0.026 55.107 54.840 0.401 0.000 0.866 56 L CB 0.377 42.691 42.059 0.426 0.000 1.047 56 L HN 0.331 nan 8.230 nan 0.000 0.468 57 G N -0.769 108.341 108.800 0.516 0.000 3.175 57 G HA2 0.436 4.396 3.960 -0.000 0.000 0.153 57 G HA3 0.436 4.396 3.960 -0.000 0.000 0.153 57 G C -0.182 174.751 174.900 0.056 0.000 1.216 57 G CA -0.074 45.165 45.100 0.232 0.000 0.943 57 G HN 0.069 nan 8.290 nan 0.000 0.611 58 G N -0.770 107.993 108.800 -0.062 0.000 2.353 58 G HA2 0.368 4.328 3.960 -0.000 0.000 0.239 58 G HA3 0.368 4.328 3.960 -0.000 0.000 0.239 58 G C 0.535 175.412 174.900 -0.038 0.000 1.295 58 G CA 0.928 45.992 45.100 -0.060 0.000 0.884 58 G HN 0.855 nan 8.290 nan 0.000 0.537 59 S N 1.178 116.797 115.700 -0.135 0.000 3.113 59 S HA 0.188 4.658 4.470 -0.000 0.000 0.265 59 S C 0.078 174.443 174.600 -0.390 0.000 1.079 59 S CA -0.330 57.695 58.200 -0.292 0.000 0.892 59 S CB 0.022 62.897 63.200 -0.541 0.000 0.880 59 S HN 0.492 nan 8.310 nan 0.000 0.444 60 Y N 2.865 123.127 120.300 -0.063 0.000 2.319 60 Y HA 0.530 5.080 4.550 -0.000 0.000 0.328 60 Y C 0.290 176.068 175.900 -0.203 0.000 1.133 60 Y CA -0.421 57.595 58.100 -0.141 0.000 1.265 60 Y CB 1.182 39.601 38.460 -0.067 0.000 1.218 60 Y HN 0.121 nan 8.280 nan 0.000 0.508 61 V N -0.128 119.673 119.914 -0.189 0.000 3.102 61 V HA 1.103 5.223 4.120 -0.000 0.000 0.312 61 V C -0.282 175.627 176.094 -0.307 0.000 1.135 61 V CA -0.547 61.566 62.300 -0.312 0.000 1.022 61 V CB 1.688 33.247 31.823 -0.439 0.000 1.056 61 V HN 0.932 nan 8.190 nan 0.000 0.436 62 G N 0.385 108.958 108.800 -0.378 0.000 2.606 62 G HA2 0.717 4.677 3.960 -0.000 0.000 0.300 62 G HA3 0.717 4.677 3.960 -0.000 0.000 0.300 62 G C -3.438 171.299 174.900 -0.271 0.000 1.360 62 G CA -1.138 43.789 45.100 -0.289 0.000 0.783 62 G HN 0.718 nan 8.290 nan 0.000 0.484 63 P HA 0.120 nan 4.420 nan 0.000 0.266 63 P C 0.805 178.085 177.300 -0.034 0.000 1.193 63 P CA 1.950 65.005 63.100 -0.075 0.000 0.770 63 P CB 0.871 32.556 31.700 -0.024 0.000 0.836 64 T N -1.610 112.957 114.554 0.022 0.000 7.013 64 T HA -0.257 4.093 4.350 -0.000 0.000 0.288 64 T C 0.260 174.991 174.700 0.051 0.000 2.146 64 T CA 1.056 63.246 62.100 0.150 0.000 3.498 64 T CB -2.682 66.404 68.868 0.363 0.000 1.517 64 T HN 0.594 nan 8.240 nan 0.000 1.113 65 Q N 1.351 120.997 119.800 -0.256 0.000 3.150 65 Q HA 0.372 4.712 4.340 -0.000 0.000 0.297 65 Q C 0.870 176.770 176.000 -0.166 0.000 1.382 65 Q CA -0.472 55.079 55.803 -0.421 0.000 1.059 65 Q CB 0.220 28.516 28.738 -0.737 0.000 1.559 65 Q HN 0.492 nan 8.270 nan 0.000 0.548 66 N N 0.827 119.504 118.700 -0.040 0.000 2.354 66 N HA -0.060 4.680 4.740 -0.000 0.000 0.179 66 N C 1.233 176.753 175.510 0.016 0.000 1.021 66 N CA 0.770 53.822 53.050 0.004 0.000 0.887 66 N CB 0.281 38.794 38.487 0.044 0.000 0.974 66 N HN 0.381 nan 8.380 nan 0.000 0.437 67 R N 0.497 121.011 120.500 0.023 0.000 2.062 67 R HA 0.018 4.358 4.340 -0.000 0.000 0.229 67 R C 2.033 178.349 176.300 0.027 0.000 1.128 67 R CA 0.698 56.819 56.100 0.034 0.000 0.960 67 R CB -0.361 29.971 30.300 0.054 0.000 0.855 67 R HN 0.083 nan 8.270 nan 0.000 0.432 68 I N 1.296 121.878 120.570 0.019 0.000 2.286 68 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 68 I C 1.837 178.019 176.117 0.108 0.000 1.115 68 I CA 1.386 62.721 61.300 0.057 0.000 1.392 68 I CB -0.077 37.967 38.000 0.073 0.000 1.065 68 I HN 0.101 nan 8.210 nan 0.000 0.418 69 L N 0.137 121.409 121.223 0.082 0.000 2.046 69 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 69 L C 2.750 179.665 176.870 0.074 0.000 1.077 69 L CA 1.353 56.258 54.840 0.108 0.000 0.747 69 L CB -0.827 41.252 42.059 0.033 0.000 0.896 69 L HN 0.259 nan 8.230 nan 0.000 0.432 70 R N 0.693 121.218 120.500 0.040 0.000 2.066 70 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 70 R C 2.305 178.612 176.300 0.011 0.000 1.131 70 R CA 1.570 57.685 56.100 0.026 0.000 0.955 70 R CB -0.574 29.740 30.300 0.023 0.000 0.851 70 R HN 0.248 nan 8.270 nan 0.000 0.432 71 L N 1.212 122.438 121.223 0.004 0.000 2.017 71 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 71 L C 2.404 179.238 176.870 -0.060 0.000 1.073 71 L CA 2.303 57.130 54.840 -0.022 0.000 0.745 71 L CB -0.818 41.228 42.059 -0.022 0.000 0.894 71 L HN 0.239 nan 8.230 nan 0.000 0.432 72 A N -0.676 122.094 122.820 -0.082 0.000 1.902 72 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 72 A C 2.459 179.985 177.584 -0.096 0.000 1.181 72 A CA 1.919 53.839 52.037 -0.195 0.000 0.623 72 A CB -0.628 18.155 19.000 -0.362 0.000 0.818 72 A HN 0.511 nan 8.150 nan 0.000 0.443 73 K N -0.281 120.112 120.400 -0.012 0.000 2.057 73 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 73 K C 2.069 178.661 176.600 -0.014 0.000 1.049 73 K CA 1.709 58.000 56.287 0.006 0.000 0.931 73 K CB -0.189 32.328 32.500 0.027 0.000 0.714 73 K HN 0.614 nan 8.250 nan 0.000 0.440 74 E N 0.420 120.609 120.200 -0.018 0.000 2.160 74 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 74 E C 1.619 178.200 176.600 -0.032 0.000 0.991 74 E CA 0.945 57.333 56.400 -0.019 0.000 0.810 74 E CB 0.026 29.718 29.700 -0.014 0.000 0.742 74 E HN 0.354 nan 8.360 nan 0.000 0.466 75 L N -0.738 120.451 121.223 -0.055 0.000 2.599 75 L HA 0.160 4.500 4.340 -0.000 0.000 0.230 75 L C 1.338 178.167 176.870 -0.068 0.000 1.141 75 L CA 0.449 55.247 54.840 -0.069 0.000 0.877 75 L CB 0.240 42.236 42.059 -0.104 0.000 1.009 75 L HN 0.372 nan 8.230 nan 0.000 0.447 76 G N 0.203 108.971 108.800 -0.052 0.000 2.131 76 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.223 76 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.223 76 G C 0.062 174.937 174.900 -0.042 0.000 0.990 76 G CA -0.338 44.739 45.100 -0.038 0.000 0.671 76 G HN 0.195 nan 8.290 nan 0.000 0.521 77 L N -0.156 121.030 121.223 -0.061 0.000 2.399 77 L HA 0.754 5.094 4.340 -0.000 0.000 0.265 77 L C 0.607 177.513 176.870 0.059 0.000 1.089 77 L CA -0.762 54.049 54.840 -0.048 0.000 0.802 77 L CB 1.136 43.071 42.059 -0.206 0.000 1.180 77 L HN 0.178 nan 8.230 nan 0.000 0.454 78 E N -0.158 120.120 120.200 0.130 0.000 2.336 78 E HA 0.473 4.823 4.350 -0.000 0.000 0.267 78 E C -1.009 175.748 176.600 0.261 0.000 0.906 78 E CA -0.716 55.785 56.400 0.167 0.000 0.781 78 E CB 2.498 32.267 29.700 0.114 0.000 1.261 78 E HN 0.667 nan 8.360 nan 0.000 0.436 79 T N -1.402 113.253 114.554 0.168 0.000 2.952 79 T HA 0.631 4.981 4.350 -0.000 0.000 0.286 79 T C -0.743 174.037 174.700 0.133 0.000 1.024 79 T CA -0.714 61.419 62.100 0.056 0.000 1.029 79 T CB 0.718 69.498 68.868 -0.146 0.000 1.094 79 T HN 0.528 nan 8.240 nan 0.000 0.515 80 Y N -1.379 118.917 120.300 -0.007 0.000 2.609 80 Y HA 0.749 5.299 4.550 0.000 0.000 0.342 80 Y C -0.767 175.133 175.900 0.001 0.000 1.058 80 Y CA -1.557 56.551 58.100 0.014 0.000 1.055 80 Y CB 1.401 39.890 38.460 0.048 0.000 1.292 80 Y HN 0.622 nan 8.280 nan 0.000 0.476 81 K N 2.173 122.635 120.400 0.102 0.000 2.234 81 K HA 0.445 4.765 4.320 -0.000 0.000 0.282 81 K C -0.851 175.785 176.600 0.060 0.000 1.039 81 K CA -0.777 55.513 56.287 0.005 0.000 0.928 81 K CB 1.616 34.143 32.500 0.045 0.000 1.039 81 K HN 0.573 nan 8.250 nan 0.000 0.470 82 V N 3.244 123.137 119.914 -0.035 0.000 2.673 82 V HA -0.100 4.020 4.120 -0.000 0.000 0.303 82 V C 0.534 176.671 176.094 0.072 0.000 1.046 82 V CA -0.195 62.136 62.300 0.052 0.000 1.126 82 V CB 0.384 32.222 31.823 0.025 0.000 0.934 82 V HN 0.728 nan 8.190 nan 0.000 0.487 83 N N 3.848 122.615 118.700 0.111 0.000 2.438 83 N HA 0.021 4.761 4.740 -0.000 0.000 0.267 83 N C 0.241 175.774 175.510 0.038 0.000 1.222 83 N CA 0.513 53.617 53.050 0.089 0.000 0.930 83 N CB 0.270 38.835 38.487 0.129 0.000 1.083 83 N HN 0.819 nan 8.380 nan 0.000 0.476 84 E N 2.925 123.137 120.200 0.021 0.000 3.191 84 E HA 0.110 4.460 4.350 -0.000 0.000 0.192 84 E C 0.306 176.905 176.600 -0.003 0.000 0.972 84 E CA -0.053 56.342 56.400 -0.010 0.000 1.266 84 E CB 0.279 29.960 29.700 -0.031 0.000 1.076 84 E HN 0.442 nan 8.360 nan 0.000 0.462 85 V N 0.477 120.401 119.914 0.017 0.000 2.307 85 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 85 V C 0.957 177.058 176.094 0.011 0.000 1.045 85 V CA 1.593 63.901 62.300 0.015 0.000 1.024 85 V CB -0.114 31.720 31.823 0.019 0.000 0.651 85 V HN 0.247 nan 8.190 nan 0.000 0.449 86 E N -0.707 119.506 120.200 0.022 0.000 3.099 86 E HA 0.402 4.752 4.350 -0.000 0.000 0.259 86 E C 0.191 176.801 176.600 0.017 0.000 1.274 86 E CA -0.653 55.764 56.400 0.029 0.000 1.111 86 E CB 0.258 29.989 29.700 0.053 0.000 1.327 86 E HN 0.297 nan 8.360 nan 0.000 0.652 87 R N 0.205 120.737 120.500 0.054 0.000 2.539 87 R HA 0.291 4.631 4.340 -0.000 0.000 0.275 87 R C -0.487 175.770 176.300 -0.072 0.000 1.077 87 R CA -0.564 55.543 56.100 0.012 0.000 1.097 87 R CB 0.132 30.506 30.300 0.122 0.000 1.018 87 R HN 0.176 nan 8.270 nan 0.000 0.483 88 L N 2.497 123.503 121.223 -0.363 0.000 2.456 88 L HA 0.377 4.717 4.340 -0.000 0.000 0.257 88 L C 0.198 176.836 176.870 -0.386 0.000 1.162 88 L CA 0.181 54.696 54.840 -0.541 0.000 0.808 88 L CB 0.474 41.879 42.059 -1.090 0.000 1.136 88 L HN 0.461 nan 8.230 nan 0.000 0.466 89 I N 0.233 120.718 120.570 -0.142 0.000 2.498 89 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 89 I C -0.626 175.781 176.117 0.483 0.000 1.032 89 I CA -0.480 60.900 61.300 0.132 0.000 1.073 89 I CB 1.571 39.499 38.000 -0.120 0.000 1.251 89 I HN 0.544 nan 8.210 nan 0.000 0.426 90 H N 5.296 124.685 119.070 0.532 0.000 2.541 90 H HA 0.315 4.871 4.556 -0.000 0.000 0.316 90 H C -1.278 174.287 175.328 0.396 0.000 1.043 90 H CA -0.742 55.561 56.048 0.424 0.000 1.232 90 H CB 0.919 30.845 29.762 0.273 0.000 1.406 90 H HN 0.606 nan 8.280 nan 0.000 0.469 91 H N 4.804 124.004 119.070 0.216 0.000 2.597 91 H HA 0.335 4.891 4.556 -0.000 0.000 0.303 91 H C -1.214 174.112 175.328 -0.003 0.000 1.057 91 H CA -0.458 55.648 56.048 0.097 0.000 1.261 91 H CB 0.721 30.541 29.762 0.095 0.000 1.397 91 H HN 0.363 nan 8.280 nan 0.000 0.461 92 V N 4.877 124.661 119.914 -0.216 0.000 2.638 92 V HA 0.331 4.451 4.120 -0.000 0.000 0.306 92 V C -0.394 175.641 176.094 -0.098 0.000 1.052 92 V CA -0.952 61.252 62.300 -0.159 0.000 0.885 92 V CB 1.492 33.139 31.823 -0.294 0.000 0.999 92 V HN 1.016 nan 8.190 nan 0.000 0.424 93 K N 4.685 125.058 120.400 -0.045 0.000 3.156 93 K HA -0.209 4.111 4.320 -0.000 0.000 0.266 93 K C 0.992 177.555 176.600 -0.063 0.000 0.966 93 K CA 0.934 57.211 56.287 -0.016 0.000 0.719 93 K CB -1.635 30.873 32.500 0.014 0.000 1.333 93 K HN 2.179 nan 8.250 nan 0.000 0.468 94 G N -0.189 108.531 108.800 -0.134 0.000 2.148 94 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.254 94 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.254 94 G C -0.088 174.634 174.900 -0.296 0.000 0.981 94 G CA 0.919 45.964 45.100 -0.092 0.000 0.670 94 G HN 0.389 nan 8.290 nan 0.000 0.528 95 K N 0.019 120.046 120.400 -0.622 0.000 2.422 95 K HA 0.581 4.901 4.320 -0.000 0.000 0.251 95 K C -0.586 175.646 176.600 -0.614 0.000 0.933 95 K CA -0.516 55.475 56.287 -0.493 0.000 0.798 95 K CB 1.546 33.831 32.500 -0.358 0.000 1.238 95 K HN 0.070 nan 8.250 nan 0.000 0.428 96 S N 2.091 117.582 115.700 -0.349 0.000 2.480 96 S HA 0.389 4.859 4.470 -0.000 0.000 0.286 96 S C -1.329 173.079 174.600 -0.321 0.000 1.180 96 S CA -0.400 57.731 58.200 -0.115 0.000 1.075 96 S CB 0.264 63.506 63.200 0.070 0.000 0.996 96 S HN 0.354 nan 8.310 nan 0.000 0.487 97 Y N 2.688 123.072 120.300 0.140 0.000 2.447 97 Y HA 0.352 4.902 4.550 -0.000 0.000 0.325 97 Y C -2.483 173.616 175.900 0.331 0.000 0.976 97 Y CA -2.426 55.797 58.100 0.205 0.000 1.280 97 Y CB 0.823 39.396 38.460 0.188 0.000 1.104 97 Y HN 0.457 nan 8.280 nan 0.000 0.486 98 P HA 0.209 nan 4.420 nan 0.000 0.271 98 P C -0.834 176.758 177.300 0.487 0.000 1.218 98 P CA 0.041 63.367 63.100 0.377 0.000 0.780 98 P CB 0.549 32.461 31.700 0.353 0.000 0.901 99 F N -0.688 119.389 119.950 0.210 0.000 2.711 99 F HA 0.715 5.242 4.527 0.000 0.000 0.313 99 F C -1.024 174.859 175.800 0.138 0.000 1.141 99 F CA -1.331 56.780 58.000 0.185 0.000 0.941 99 F CB 1.503 40.617 39.000 0.190 0.000 1.349 99 F HN 0.036 nan 8.300 nan 0.000 0.464 100 R N 0.829 121.468 120.500 0.231 0.000 2.854 100 R HA 0.768 5.108 4.340 -0.000 0.000 0.271 100 R C -0.402 176.035 176.300 0.227 0.000 0.994 100 R CA -0.750 55.403 56.100 0.088 0.000 0.945 100 R CB 1.792 32.146 30.300 0.090 0.000 1.194 100 R HN 1.456 nan 8.270 nan 0.000 0.476 101 G N 1.567 110.440 108.800 0.122 0.000 2.756 101 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.678 101 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.678 101 G C -2.031 172.981 174.900 0.187 0.000 1.349 101 G CA -0.757 44.434 45.100 0.151 0.000 0.847 101 G HN 0.458 nan 8.290 nan 0.000 0.548 102 P HA 0.133 nan 4.420 nan 0.000 0.222 102 P C 0.434 177.612 177.300 -0.202 0.000 1.153 102 P CA 1.002 64.043 63.100 -0.097 0.000 0.798 102 P CB 0.134 31.661 31.700 -0.289 0.000 0.796 103 F N 2.135 122.092 119.950 0.012 0.000 2.427 103 F HA 0.402 4.929 4.527 -0.000 0.000 0.346 103 F C -1.915 173.676 175.800 -0.348 0.000 1.120 103 F CA -2.943 54.948 58.000 -0.181 0.000 1.033 103 F CB 1.009 39.823 39.000 -0.310 0.000 1.126 103 F HN -0.231 nan 8.300 nan 0.000 0.462 104 P HA 0.139 nan 4.420 nan 0.000 0.267 104 P C -2.610 174.405 177.300 -0.475 0.000 1.209 104 P CA -1.080 61.314 63.100 -1.177 0.000 0.763 104 P CB 0.069 31.162 31.700 -1.012 0.000 0.816 105 P HA 0.180 nan 4.420 nan 0.000 0.272 105 P C -0.679 176.457 177.300 -0.273 0.000 1.223 105 P CA -0.051 62.891 63.100 -0.263 0.000 0.784 105 P CB 0.516 32.100 31.700 -0.193 0.000 0.923 106 V N 1.676 121.375 119.914 -0.358 0.000 2.588 106 V HA 0.263 4.383 4.120 -0.000 0.000 0.304 106 V C -0.193 175.719 176.094 -0.304 0.000 1.042 106 V CA -0.231 61.892 62.300 -0.294 0.000 0.877 106 V CB 1.861 33.431 31.823 -0.422 0.000 0.996 106 V HN 0.700 nan 8.190 nan 0.000 0.425 107 W N 0.831 122.103 121.300 -0.046 0.000 2.699 107 W HA 0.222 4.882 4.660 -0.000 0.000 0.265 107 W C 1.349 177.857 176.519 -0.018 0.000 1.210 107 W CA -0.118 57.209 57.345 -0.030 0.000 1.414 107 W CB 0.337 29.772 29.460 -0.042 0.000 1.043 107 W HN 0.504 nan 8.180 nan 0.000 0.599 108 N N 2.144 120.957 118.700 0.188 0.000 2.447 108 N HA -0.040 4.700 4.740 -0.000 0.000 0.263 108 N C -1.801 173.774 175.510 0.109 0.000 1.226 108 N CA -0.377 52.748 53.050 0.124 0.000 0.906 108 N CB 1.519 40.062 38.487 0.095 0.000 1.060 108 N HN -0.141 nan 8.380 nan 0.000 0.468 109 P HA -0.071 nan 4.420 nan 0.000 0.216 109 P C 1.526 178.892 177.300 0.109 0.000 1.153 109 P CA 0.639 63.784 63.100 0.075 0.000 0.848 109 P CB 0.351 32.075 31.700 0.040 0.000 0.787 110 I N -0.574 120.049 120.570 0.088 0.000 2.252 110 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 110 I C 1.929 178.111 176.117 0.108 0.000 1.102 110 I CA 1.804 63.152 61.300 0.080 0.000 1.385 110 I CB -2.006 36.035 38.000 0.068 0.000 1.064 110 I HN 0.013 nan 8.210 nan 0.000 0.414 111 T N 0.224 114.852 114.554 0.123 0.000 2.788 111 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 111 T C 1.884 176.678 174.700 0.156 0.000 1.044 111 T CA 1.304 63.497 62.100 0.155 0.000 1.139 111 T CB -0.594 68.342 68.868 0.114 0.000 0.867 111 T HN 0.292 nan 8.240 nan 0.000 0.454 112 Y N 1.836 122.128 120.300 -0.013 0.000 2.128 112 Y HA -0.130 4.420 4.550 -0.000 0.000 0.284 112 Y C 2.039 177.947 175.900 0.013 0.000 1.154 112 Y CA 1.217 59.287 58.100 -0.050 0.000 1.149 112 Y CB -0.478 37.924 38.460 -0.097 0.000 0.976 112 Y HN 0.109 nan 8.280 nan 0.000 0.505 113 L N -0.249 121.062 121.223 0.146 0.000 2.046 113 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 113 L C 2.183 179.044 176.870 -0.015 0.000 1.077 113 L CA 1.782 56.651 54.840 0.049 0.000 0.747 113 L CB -0.642 41.449 42.059 0.053 0.000 0.896 113 L HN 0.236 nan 8.230 nan 0.000 0.432 114 D N -0.895 119.528 120.400 0.039 0.000 2.097 114 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 114 D C 2.185 178.501 176.300 0.027 0.000 0.989 114 D CA 1.271 55.300 54.000 0.048 0.000 0.827 114 D CB 0.042 40.903 40.800 0.102 0.000 0.966 114 D HN 0.294 nan 8.370 nan 0.000 0.456 115 H N -0.602 118.419 119.070 -0.081 0.000 2.290 115 H HA -0.128 4.428 4.556 -0.000 0.000 0.298 115 H C 2.014 177.314 175.328 -0.047 0.000 1.087 115 H CA 1.477 57.484 56.048 -0.068 0.000 1.291 115 H CB -0.179 29.547 29.762 -0.060 0.000 1.369 115 H HN 0.181 nan 8.280 nan 0.000 0.492 116 N N 0.954 119.596 118.700 -0.096 0.000 2.104 116 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 116 N C 1.770 177.227 175.510 -0.089 0.000 1.024 116 N CA 1.382 54.322 53.050 -0.183 0.000 0.853 116 N CB -0.280 37.978 38.487 -0.382 0.000 1.008 116 N HN 0.286 nan 8.380 nan 0.000 0.424 117 N N -0.898 117.758 118.700 -0.074 0.000 2.188 117 N HA -0.191 4.549 4.740 -0.000 0.000 0.184 117 N C 1.726 177.193 175.510 -0.071 0.000 1.018 117 N CA 0.904 53.913 53.050 -0.069 0.000 0.858 117 N CB -0.262 38.195 38.487 -0.050 0.000 0.989 117 N HN 0.317 nan 8.380 nan 0.000 0.426 118 F N 0.759 120.580 119.950 -0.215 0.000 2.046 118 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 118 F C 1.791 177.409 175.800 -0.302 0.000 1.123 118 F CA 1.691 59.495 58.000 -0.326 0.000 1.199 118 F CB -0.950 37.718 39.000 -0.553 0.000 0.972 118 F HN 0.062 nan 8.300 nan 0.000 0.474 119 W N 0.650 121.653 121.300 -0.495 0.000 2.358 119 W HA -0.113 4.547 4.660 -0.000 0.000 0.303 119 W C 2.862 179.107 176.519 -0.457 0.000 1.208 119 W CA 1.518 58.508 57.345 -0.593 0.000 1.274 119 W CB -0.649 28.585 29.460 -0.377 0.000 1.138 119 W HN -0.050 nan 8.180 nan 0.000 0.515 120 R N 0.094 120.521 120.500 -0.121 0.000 2.083 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 120 R C 1.954 178.149 176.300 -0.175 0.000 1.137 120 R CA 2.237 58.249 56.100 -0.147 0.000 0.951 120 R CB -0.693 29.521 30.300 -0.144 0.000 0.851 120 R HN 0.040 nan 8.270 nan 0.000 0.434 121 T N 1.251 115.679 114.554 -0.210 0.000 2.821 121 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 121 T C 1.834 176.387 174.700 -0.244 0.000 1.046 121 T CA 1.325 63.307 62.100 -0.197 0.000 1.139 121 T CB -0.051 68.718 68.868 -0.165 0.000 0.871 121 T HN 0.174 nan 8.240 nan 0.000 0.454 122 M N 1.600 120.985 119.600 -0.357 0.000 2.082 122 M HA -0.125 4.355 4.480 -0.000 0.000 0.258 122 M C 1.807 177.991 176.300 -0.192 0.000 1.069 122 M CA 1.573 56.691 55.300 -0.303 0.000 1.102 122 M CB -1.040 31.331 32.600 -0.381 0.000 1.336 122 M HN 0.193 nan 8.290 nan 0.000 0.404 123 D N 0.291 120.593 120.400 -0.164 0.000 2.149 123 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 123 D C 1.608 177.844 176.300 -0.106 0.000 0.972 123 D CA 0.927 54.852 54.000 -0.125 0.000 0.835 123 D CB -0.300 40.433 40.800 -0.112 0.000 0.966 123 D HN 0.279 nan 8.370 nan 0.000 0.476 124 D N 0.419 120.755 120.400 -0.106 0.000 2.104 124 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 124 D C 2.179 178.467 176.300 -0.020 0.000 0.994 124 D CA 0.839 54.799 54.000 -0.066 0.000 0.830 124 D CB -0.231 40.529 40.800 -0.066 0.000 0.959 124 D HN 0.240 nan 8.370 nan 0.000 0.452 125 M N 0.122 119.683 119.600 -0.065 0.000 2.117 125 M HA -0.045 4.435 4.480 -0.000 0.000 0.262 125 M C 2.338 178.682 176.300 0.073 0.000 1.065 125 M CA 1.604 56.881 55.300 -0.038 0.000 1.114 125 M CB -0.432 31.892 32.600 -0.461 0.000 1.361 125 M HN 0.030 nan 8.290 nan 0.000 0.408 126 G N 0.187 108.968 108.800 -0.032 0.000 2.450 126 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 126 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 126 G C 1.621 176.519 174.900 -0.003 0.000 1.130 126 G CA 0.668 45.754 45.100 -0.025 0.000 0.760 126 G HN 0.410 nan 8.290 nan 0.000 0.557 127 R N 0.049 120.545 120.500 -0.007 0.000 2.237 127 R HA 0.007 4.347 4.340 -0.000 0.000 0.219 127 R C 1.600 177.905 176.300 0.007 0.000 1.080 127 R CA 0.789 56.878 56.100 -0.020 0.000 0.995 127 R CB 0.073 30.355 30.300 -0.030 0.000 0.875 127 R HN 0.272 nan 8.270 nan 0.000 0.462 128 E N 0.217 120.461 120.200 0.073 0.000 2.479 128 E HA 0.098 4.448 4.350 -0.000 0.000 0.193 128 E C 0.004 176.629 176.600 0.041 0.000 1.049 128 E CA 0.309 56.744 56.400 0.059 0.000 0.870 128 E CB 0.447 30.207 29.700 0.100 0.000 0.944 128 E HN 0.312 nan 8.360 nan 0.000 0.492 129 I N 2.704 123.315 120.570 0.068 0.000 2.354 129 I HA 0.209 4.379 4.170 -0.000 0.000 0.286 129 I C -2.425 173.692 176.117 -0.001 0.000 1.007 129 I CA -2.370 58.966 61.300 0.061 0.000 1.167 129 I CB 1.498 39.602 38.000 0.174 0.000 1.320 129 I HN -0.336 nan 8.210 nan 0.000 0.458 130 P HA 0.113 nan 4.420 nan 0.000 0.267 130 P C 0.497 177.762 177.300 -0.059 0.000 1.205 130 P CA 0.169 63.196 63.100 -0.120 0.000 0.765 130 P CB 0.903 32.475 31.700 -0.212 0.000 0.828 131 S N 2.097 117.780 115.700 -0.029 0.000 2.383 131 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 131 S C 1.259 175.951 174.600 0.154 0.000 1.030 131 S CA 1.799 60.064 58.200 0.108 0.000 1.002 131 S CB -0.576 62.595 63.200 -0.049 0.000 0.829 131 S HN 0.677 nan 8.310 nan 0.000 0.467 132 D N 0.423 120.767 120.400 -0.093 0.000 2.339 132 D HA 0.279 4.919 4.640 -0.000 0.000 0.217 132 D C 0.268 176.338 176.300 -0.383 0.000 1.050 132 D CA 0.321 54.221 54.000 -0.168 0.000 0.856 132 D CB 0.084 40.725 40.800 -0.265 0.000 0.922 132 D HN 0.270 nan 8.370 nan 0.000 0.518 133 A N 1.116 123.544 122.820 -0.654 0.000 3.330 133 A HA 0.345 4.665 4.320 -0.000 0.000 0.256 133 A C -2.172 174.618 177.584 -1.325 0.000 1.185 133 A CA -0.759 50.402 52.037 -1.460 0.000 0.940 133 A CB 0.820 19.257 19.000 -0.938 0.000 1.397 133 A HN -0.105 nan 8.150 nan 0.000 0.678 134 P HA -0.179 nan 4.420 nan 0.000 0.219 134 P C 1.229 178.326 177.300 -0.339 0.000 1.146 134 P CA 1.519 64.308 63.100 -0.518 0.000 0.808 134 P CB -0.338 31.041 31.700 -0.534 0.000 0.779 135 W N 0.807 122.034 121.300 -0.122 0.000 2.721 135 W HA 0.113 4.773 4.660 -0.000 0.000 0.245 135 W C 1.271 177.744 176.519 -0.077 0.000 1.276 135 W CA 0.345 57.638 57.345 -0.087 0.000 1.342 135 W CB -1.398 28.007 29.460 -0.092 0.000 1.135 135 W HN -0.099 nan 8.180 nan 0.000 0.654 136 K N 0.806 121.023 120.400 -0.305 0.000 2.374 136 K HA 0.322 4.641 4.320 -0.000 0.000 0.196 136 K C 0.996 177.505 176.600 -0.153 0.000 1.023 136 K CA 0.149 56.333 56.287 -0.173 0.000 1.103 136 K CB 0.027 32.386 32.500 -0.236 0.000 0.848 136 K HN 0.094 nan 8.250 nan 0.000 0.528 137 A N 2.430 125.157 122.820 -0.155 0.000 2.531 137 A HA 0.071 4.391 4.320 -0.000 0.000 0.236 137 A C -1.602 175.852 177.584 -0.218 0.000 1.062 137 A CA -0.956 50.981 52.037 -0.166 0.000 0.760 137 A CB 0.066 18.983 19.000 -0.138 0.000 0.995 137 A HN -0.009 nan 8.150 nan 0.000 0.501 138 P HA -0.131 nan 4.420 nan 0.000 0.216 138 P C 0.486 177.593 177.300 -0.322 0.000 1.150 138 P CA 1.269 64.229 63.100 -0.233 0.000 0.843 138 P CB 0.036 31.613 31.700 -0.206 0.000 0.787 139 L N -2.198 118.676 121.223 -0.583 0.000 2.984 139 L HA 0.367 4.707 4.340 -0.000 0.000 0.246 139 L C 1.825 178.300 176.870 -0.657 0.000 1.268 139 L CA -0.321 54.084 54.840 -0.726 0.000 1.054 139 L CB -0.449 40.910 42.059 -1.165 0.000 1.393 139 L HN -0.112 nan 8.230 nan 0.000 0.532 140 A N 0.477 123.092 122.820 -0.342 0.000 1.892 140 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 140 A C 2.192 179.773 177.584 -0.005 0.000 1.188 140 A CA 1.724 53.694 52.037 -0.111 0.000 0.631 140 A CB -0.142 18.845 19.000 -0.021 0.000 0.822 140 A HN 0.513 nan 8.150 nan 0.000 0.447 141 E N -0.907 119.275 120.200 -0.030 0.000 2.047 141 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 141 E C 2.129 178.763 176.600 0.057 0.000 0.987 141 E CA 1.167 57.582 56.400 0.025 0.000 0.799 141 E CB -0.238 29.464 29.700 0.003 0.000 0.752 141 E HN 0.831 nan 8.360 nan 0.000 0.449 142 E N 0.181 120.386 120.200 0.009 0.000 2.058 142 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 142 E C 1.736 178.502 176.600 0.277 0.000 0.997 142 E CA 1.273 57.727 56.400 0.089 0.000 0.801 142 E CB -0.011 29.703 29.700 0.023 0.000 0.746 142 E HN 0.279 nan 8.360 nan 0.000 0.450 143 W N 0.904 122.246 121.300 0.071 0.000 2.436 143 W HA -0.016 4.644 4.660 -0.000 0.000 0.284 143 W C 1.933 178.524 176.519 0.119 0.000 1.225 143 W CA 0.667 58.067 57.345 0.092 0.000 1.271 143 W CB -0.971 28.544 29.460 0.092 0.000 1.114 143 W HN 0.221 nan 8.180 nan 0.000 0.559 144 D N -0.282 120.317 120.400 0.331 0.000 2.269 144 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 144 D C 1.290 177.718 176.300 0.212 0.000 0.963 144 D CA 0.934 55.093 54.000 0.265 0.000 0.864 144 D CB -0.205 40.724 40.800 0.217 0.000 0.936 144 D HN -0.105 nan 8.370 nan 0.000 0.505 145 N N -0.174 118.636 118.700 0.184 0.000 2.398 145 N HA 0.087 4.827 4.740 -0.000 0.000 0.188 145 N C 0.115 175.705 175.510 0.134 0.000 1.122 145 N CA 0.143 53.277 53.050 0.140 0.000 0.866 145 N CB 0.039 38.591 38.487 0.108 0.000 0.970 145 N HN 0.463 nan 8.380 nan 0.000 0.462 146 M N -1.289 118.406 119.600 0.159 0.000 2.602 146 M HA 0.495 4.975 4.480 -0.000 0.000 0.312 146 M C -0.045 176.333 176.300 0.130 0.000 1.181 146 M CA -0.834 54.542 55.300 0.127 0.000 0.910 146 M CB 1.863 34.535 32.600 0.120 0.000 1.723 146 M HN -0.122 nan 8.290 nan 0.000 0.459 147 T N -0.771 113.842 114.554 0.097 0.000 2.816 147 T HA 0.283 4.633 4.350 -0.000 0.000 0.282 147 T C 1.082 175.815 174.700 0.054 0.000 0.993 147 T CA -0.842 61.311 62.100 0.088 0.000 0.994 147 T CB 0.863 69.775 68.868 0.072 0.000 1.025 147 T HN 0.775 nan 8.240 nan 0.000 0.529 148 M N 0.292 119.905 119.600 0.021 0.000 2.213 148 M HA -0.023 4.457 4.480 -0.000 0.000 0.263 148 M C 2.186 178.449 176.300 -0.063 0.000 1.062 148 M CA 1.518 56.790 55.300 -0.047 0.000 1.105 148 M CB -1.299 31.186 32.600 -0.192 0.000 1.385 148 M HN 0.859 nan 8.290 nan 0.000 0.417 149 K N 0.544 120.917 120.400 -0.044 0.000 2.032 149 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 149 K C 1.697 178.278 176.600 -0.031 0.000 1.048 149 K CA 1.608 57.875 56.287 -0.034 0.000 0.927 149 K CB 0.035 32.547 32.500 0.020 0.000 0.712 149 K HN 0.403 nan 8.250 nan 0.000 0.441 150 E N 0.515 120.711 120.200 -0.007 0.000 2.077 150 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 150 E C 2.029 178.620 176.600 -0.016 0.000 0.989 150 E CA 1.048 57.444 56.400 -0.007 0.000 0.800 150 E CB -0.117 29.595 29.700 0.020 0.000 0.746 150 E HN 0.181 nan 8.360 nan 0.000 0.452 151 L N 1.095 122.311 121.223 -0.011 0.000 2.017 151 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 151 L C 2.063 178.919 176.870 -0.023 0.000 1.073 151 L CA 1.534 56.362 54.840 -0.019 0.000 0.745 151 L CB -0.333 41.708 42.059 -0.030 0.000 0.894 151 L HN 0.121 nan 8.230 nan 0.000 0.432 152 L N -0.828 120.370 121.223 -0.042 0.000 2.083 152 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 152 L C 2.192 179.001 176.870 -0.102 0.000 1.083 152 L CA 1.216 56.006 54.840 -0.083 0.000 0.752 152 L CB -0.903 41.067 42.059 -0.148 0.000 0.899 152 L HN 0.281 nan 8.230 nan 0.000 0.433 153 D N 0.327 120.671 120.400 -0.093 0.000 2.144 153 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 153 D C 2.197 178.415 176.300 -0.137 0.000 0.984 153 D CA 1.189 55.120 54.000 -0.116 0.000 0.834 153 D CB 0.027 40.770 40.800 -0.095 0.000 0.955 153 D HN 0.295 nan 8.370 nan 0.000 0.465 154 K N -0.335 120.014 120.400 -0.085 0.000 2.076 154 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 154 K C 1.875 178.467 176.600 -0.015 0.000 1.051 154 K CA 0.350 56.599 56.287 -0.063 0.000 0.949 154 K CB 0.091 32.586 32.500 -0.007 0.000 0.726 154 K HN 0.007 nan 8.250 nan 0.000 0.443 155 L N 0.594 121.829 121.223 0.021 0.000 2.162 155 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 155 L C 0.463 177.436 176.870 0.172 0.000 1.086 155 L CA 0.962 55.869 54.840 0.113 0.000 0.778 155 L CB 0.074 42.195 42.059 0.103 0.000 0.928 155 L HN 0.099 nan 8.230 nan 0.000 0.446 156 C N -0.770 118.545 119.300 0.026 0.000 2.281 156 C HA 0.122 4.582 4.460 -0.000 0.000 0.336 156 C C 0.902 175.903 174.990 0.018 0.000 1.217 156 C CA -0.980 58.040 59.018 0.004 0.000 1.730 156 C CB -1.106 26.534 27.740 -0.167 0.000 2.338 156 C HN 0.528 nan 8.230 nan 0.000 0.521 157 W N 1.855 123.117 121.300 -0.063 0.000 3.139 157 W HA 0.123 4.783 4.660 -0.000 0.000 0.260 157 W C 1.452 177.952 176.519 -0.031 0.000 1.312 157 W CA 0.139 57.461 57.345 -0.037 0.000 1.606 157 W CB -0.106 29.343 29.460 -0.018 0.000 1.118 157 W HN 0.669 nan 8.180 nan 0.000 0.675 158 T N -3.401 111.232 114.554 0.131 0.000 2.885 158 T HA 0.298 4.648 4.350 -0.000 0.000 0.285 158 T C 0.831 175.529 174.700 -0.003 0.000 1.019 158 T CA -0.621 61.523 62.100 0.073 0.000 1.010 158 T CB 2.572 71.503 68.868 0.106 0.000 1.022 158 T HN -0.236 nan 8.240 nan 0.000 0.466 159 E N 1.079 121.279 120.200 0.001 0.000 2.150 159 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 159 E C 2.159 178.749 176.600 -0.016 0.000 0.985 159 E CA 1.145 57.531 56.400 -0.023 0.000 0.814 159 E CB -0.477 29.219 29.700 -0.007 0.000 0.752 159 E HN 0.737 nan 8.360 nan 0.000 0.466 160 S N 0.655 116.380 115.700 0.041 0.000 2.359 160 S HA -0.207 4.263 4.470 -0.000 0.000 0.223 160 S C 2.079 176.690 174.600 0.018 0.000 1.039 160 S CA 1.706 59.976 58.200 0.117 0.000 1.042 160 S CB -0.117 63.225 63.200 0.237 0.000 0.915 160 S HN 0.302 nan 8.310 nan 0.000 0.439 161 A N 1.152 123.862 122.820 -0.183 0.000 1.898 161 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 161 A C 2.188 179.430 177.584 -0.570 0.000 1.181 161 A CA 1.782 53.400 52.037 -0.698 0.000 0.620 161 A CB -0.716 17.921 19.000 -0.606 0.000 0.819 161 A HN 0.646 nan 8.150 nan 0.000 0.442 162 K N -0.515 119.675 120.400 -0.350 0.000 2.057 162 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 162 K C 2.256 178.704 176.600 -0.254 0.000 1.049 162 K CA 1.732 57.827 56.287 -0.319 0.000 0.931 162 K CB -0.186 32.196 32.500 -0.197 0.000 0.714 162 K HN 0.635 nan 8.250 nan 0.000 0.440 163 Q N 0.293 120.003 119.800 -0.149 0.000 2.084 163 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 163 Q C 2.111 178.085 176.000 -0.044 0.000 0.978 163 Q CA 1.343 57.110 55.803 -0.060 0.000 0.844 163 Q CB -0.092 28.655 28.738 0.014 0.000 0.898 163 Q HN 0.212 nan 8.270 nan 0.000 0.426 164 L N 0.455 121.636 121.223 -0.070 0.000 2.056 164 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 164 L C 2.119 178.927 176.870 -0.103 0.000 1.078 164 L CA 1.898 56.737 54.840 -0.000 0.000 0.749 164 L CB -0.749 41.356 42.059 0.077 0.000 0.901 164 L HN 0.136 nan 8.230 nan 0.000 0.433 165 A N -1.668 120.876 122.820 -0.461 0.000 1.933 165 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 165 A C 2.263 179.740 177.584 -0.179 0.000 1.175 165 A CA 2.281 53.950 52.037 -0.613 0.000 0.628 165 A CB -1.142 17.020 19.000 -1.396 0.000 0.814 165 A HN 0.499 nan 8.150 nan 0.000 0.444 166 T N 0.037 114.487 114.554 -0.174 0.000 2.737 166 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 166 T C 1.867 176.554 174.700 -0.023 0.000 1.038 166 T CA 1.329 63.365 62.100 -0.105 0.000 1.144 166 T CB -0.399 68.418 68.868 -0.085 0.000 0.866 166 T HN 0.403 nan 8.240 nan 0.000 0.434 167 L N 0.302 121.556 121.223 0.052 0.000 2.012 167 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 167 L C 2.244 179.214 176.870 0.166 0.000 1.073 167 L CA 1.659 56.573 54.840 0.122 0.000 0.748 167 L CB -0.419 41.750 42.059 0.183 0.000 0.891 167 L HN 0.226 nan 8.230 nan 0.000 0.431 168 F N -0.217 119.782 119.950 0.081 0.000 2.091 168 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 168 F C 2.110 178.001 175.800 0.151 0.000 1.103 168 F CA 2.159 60.267 58.000 0.180 0.000 1.228 168 F CB -0.770 38.428 39.000 0.329 0.000 0.984 168 F HN -0.113 nan 8.300 nan 0.000 0.477 169 V N 1.089 120.893 119.914 -0.184 0.000 2.295 169 V HA -0.360 3.760 4.120 -0.000 0.000 0.246 169 V C 2.069 178.000 176.094 -0.271 0.000 1.049 169 V CA 2.464 64.477 62.300 -0.478 0.000 1.024 169 V CB -1.094 30.337 31.823 -0.653 0.000 0.648 169 V HN 0.424 nan 8.190 nan 0.000 0.447 170 N N 0.047 118.648 118.700 -0.164 0.000 2.104 170 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 170 N C 1.745 177.195 175.510 -0.100 0.000 1.024 170 N CA 1.273 54.249 53.050 -0.122 0.000 0.853 170 N CB -0.209 38.252 38.487 -0.043 0.000 1.008 170 N HN 0.331 nan 8.380 nan 0.000 0.424 171 L N 0.712 121.910 121.223 -0.042 0.000 2.109 171 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 171 L C 2.333 179.219 176.870 0.027 0.000 1.086 171 L CA 1.329 56.168 54.840 -0.002 0.000 0.760 171 L CB -0.767 41.298 42.059 0.011 0.000 0.910 171 L HN 0.253 nan 8.230 nan 0.000 0.437 172 C N -1.198 118.086 119.300 -0.027 0.000 2.446 172 C HA -0.013 4.447 4.460 -0.000 0.000 0.277 172 C C 2.228 177.281 174.990 0.105 0.000 1.275 172 C CA 1.127 60.182 59.018 0.062 0.000 1.727 172 C CB -0.554 27.140 27.740 -0.076 0.000 2.010 172 C HN 0.537 nan 8.230 nan 0.000 0.486 173 V N -1.499 118.386 119.914 -0.048 0.000 3.252 173 V HA 0.326 4.446 4.120 -0.000 0.000 0.320 173 V C 0.713 176.655 176.094 -0.253 0.000 1.459 173 V CA 0.977 63.212 62.300 -0.108 0.000 1.095 173 V CB -1.217 30.661 31.823 0.092 0.000 0.997 173 V HN 0.616 nan 8.190 nan 0.000 0.469 174 T N -1.342 112.982 114.554 -0.382 0.000 3.760 174 T HA -0.080 4.270 4.350 -0.000 0.000 0.366 174 T C 0.129 174.656 174.700 -0.288 0.000 0.761 174 T CA 1.308 63.173 62.100 -0.393 0.000 1.887 174 T CB -2.570 65.942 68.868 -0.594 0.000 1.811 174 T HN 2.449 nan 8.240 nan 0.000 0.749 175 A N -0.219 122.418 122.820 -0.305 0.000 2.587 175 A HA 0.721 5.041 4.320 -0.000 0.000 0.293 175 A C -0.380 176.982 177.584 -0.369 0.000 1.087 175 A CA -1.068 50.716 52.037 -0.422 0.000 0.692 175 A CB 1.238 19.772 19.000 -0.778 0.000 1.291 175 A HN 0.351 nan 8.150 nan 0.000 0.407 176 E N 0.550 120.493 120.200 -0.430 0.000 2.373 176 E HA 0.226 4.576 4.350 -0.000 0.000 0.263 176 E C 1.235 177.534 176.600 -0.502 0.000 1.073 176 E CA 0.553 56.672 56.400 -0.468 0.000 0.894 176 E CB 0.801 30.050 29.700 -0.751 0.000 1.008 176 E HN 0.799 nan 8.360 nan 0.000 0.420 177 T N -1.366 112.967 114.554 -0.368 0.000 2.833 177 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 177 T C 1.432 176.012 174.700 -0.200 0.000 1.054 177 T CA 1.614 63.550 62.100 -0.274 0.000 1.135 177 T CB -0.373 68.383 68.868 -0.187 0.000 0.869 177 T HN 0.620 nan 8.240 nan 0.000 0.466 178 H N 0.576 119.583 119.070 -0.104 0.000 2.555 178 H HA 0.260 4.816 4.556 -0.000 0.000 0.269 178 H C 1.419 176.715 175.328 -0.053 0.000 0.988 178 H CA 0.749 56.756 56.048 -0.068 0.000 1.178 178 H CB -0.167 29.556 29.762 -0.064 0.000 1.373 178 H HN 0.500 nan 8.280 nan 0.000 0.588 179 E N 1.322 121.326 120.200 -0.328 0.000 2.318 179 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 179 E C 0.736 177.296 176.600 -0.067 0.000 0.998 179 E CA 0.394 56.678 56.400 -0.192 0.000 0.859 179 E CB 0.863 30.306 29.700 -0.428 0.000 0.812 179 E HN 0.358 nan 8.360 nan 0.000 0.492 180 V N -0.974 118.894 119.914 -0.077 0.000 2.667 180 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 180 V C 0.000 176.227 176.094 0.220 0.000 1.048 180 V CA -1.190 61.174 62.300 0.108 0.000 0.928 180 V CB 1.835 33.759 31.823 0.170 0.000 1.004 180 V HN -0.026 nan 8.190 nan 0.000 0.444 181 S N 3.328 119.234 115.700 0.343 0.000 2.549 181 S HA 0.425 4.895 4.470 -0.000 0.000 0.286 181 S C 1.451 176.297 174.600 0.411 0.000 1.314 181 S CA 0.204 58.621 58.200 0.361 0.000 1.062 181 S CB 0.939 64.386 63.200 0.411 0.000 0.865 181 S HN 1.774 nan 8.310 nan 0.000 0.498 182 A N 4.833 127.828 122.820 0.292 0.000 1.902 182 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 182 A C 2.023 179.786 177.584 0.300 0.000 1.181 182 A CA 1.588 53.773 52.037 0.246 0.000 0.623 182 A CB -0.904 18.166 19.000 0.116 0.000 0.818 182 A HN 0.966 nan 8.150 nan 0.000 0.443 183 L N -1.457 119.987 121.223 0.368 0.000 2.012 183 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 183 L C 2.224 179.333 176.870 0.398 0.000 1.073 183 L CA 2.538 57.625 54.840 0.412 0.000 0.748 183 L CB -0.777 41.526 42.059 0.407 0.000 0.891 183 L HN 0.660 nan 8.230 nan 0.000 0.431 184 W N -0.646 120.822 121.300 0.280 0.000 2.358 184 W HA -0.274 4.386 4.660 -0.000 0.000 0.303 184 W C 2.331 179.116 176.519 0.443 0.000 1.208 184 W CA 1.853 59.383 57.345 0.310 0.000 1.274 184 W CB -0.634 28.986 29.460 0.266 0.000 1.138 184 W HN 0.285 nan 8.180 nan 0.000 0.515 185 F N 0.769 120.790 119.950 0.118 0.000 2.134 185 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 185 F C 2.083 177.805 175.800 -0.130 0.000 1.097 185 F CA 2.110 59.987 58.000 -0.204 0.000 1.264 185 F CB -0.672 38.335 39.000 0.012 0.000 1.001 185 F HN -0.171 nan 8.300 nan 0.000 0.479 186 L N -1.324 119.909 121.223 0.018 0.000 2.046 186 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 186 L C 2.300 179.096 176.870 -0.123 0.000 1.077 186 L CA 1.629 56.421 54.840 -0.080 0.000 0.747 186 L CB -1.020 41.023 42.059 -0.025 0.000 0.896 186 L HN 0.439 nan 8.230 nan 0.000 0.432 187 W N 0.100 121.280 121.300 -0.200 0.000 2.335 187 W HA -0.321 4.339 4.660 -0.000 0.000 0.311 187 W C 2.632 178.945 176.519 -0.344 0.000 1.213 187 W CA 1.638 58.847 57.345 -0.226 0.000 1.274 187 W CB -0.646 28.713 29.460 -0.168 0.000 1.148 187 W HN 0.113 nan 8.180 nan 0.000 0.498 188 Y N 0.564 120.408 120.300 -0.760 0.000 2.128 188 Y HA -0.301 4.249 4.550 -0.000 0.000 0.284 188 Y C 2.376 177.731 175.900 -0.908 0.000 1.154 188 Y CA 2.998 60.453 58.100 -1.076 0.000 1.149 188 Y CB -0.800 36.995 38.460 -1.107 0.000 0.976 188 Y HN -0.138 nan 8.280 nan 0.000 0.505 189 V N 0.907 120.411 119.914 -0.684 0.000 2.307 189 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 189 V C 2.502 178.276 176.094 -0.532 0.000 1.045 189 V CA 2.201 64.181 62.300 -0.533 0.000 1.024 189 V CB -0.670 30.930 31.823 -0.371 0.000 0.651 189 V HN 0.318 nan 8.190 nan 0.000 0.449 190 K N 1.110 121.211 120.400 -0.498 0.000 2.097 190 K HA -0.252 4.068 4.320 -0.000 0.000 0.206 190 K C 2.136 178.407 176.600 -0.550 0.000 1.049 190 K CA 2.230 58.262 56.287 -0.426 0.000 0.933 190 K CB -0.153 32.168 32.500 -0.299 0.000 0.717 190 K HN 0.715 nan 8.250 nan 0.000 0.442 191 Q N -0.811 118.510 119.800 -0.798 0.000 2.472 191 Q HA -0.002 4.338 4.340 -0.000 0.000 0.208 191 Q C 1.484 176.980 176.000 -0.841 0.000 0.958 191 Q CA 0.982 56.311 55.803 -0.791 0.000 0.932 191 Q CB -0.450 27.637 28.738 -1.086 0.000 1.007 191 Q HN 0.151 nan 8.270 nan 0.000 0.508 192 C N -0.156 118.510 119.300 -1.057 0.000 2.791 192 C HA 0.609 5.069 4.460 -0.000 0.000 0.270 192 C C 1.534 175.792 174.990 -1.221 0.000 1.257 192 C CA 0.207 58.222 59.018 -1.672 0.000 1.699 192 C CB -0.712 26.049 27.740 -1.631 0.000 1.904 192 C HN 0.826 nan 8.230 nan 0.000 0.603 193 G N -0.021 108.381 108.800 -0.662 0.000 2.163 193 G HA2 0.322 4.282 3.960 -0.000 0.000 0.213 193 G HA3 0.322 4.282 3.960 -0.000 0.000 0.213 193 G C 0.431 175.164 174.900 -0.278 0.000 0.991 193 G CA -0.023 44.851 45.100 -0.376 0.000 0.653 193 G HN 1.607 nan 8.290 nan 0.000 0.518 194 G N -1.937 106.680 108.800 -0.306 0.000 2.592 194 G HA2 0.324 4.284 3.960 -0.000 0.000 0.684 194 G HA3 0.324 4.284 3.960 -0.000 0.000 0.684 194 G C 1.031 175.862 174.900 -0.115 0.000 1.291 194 G CA 0.950 45.936 45.100 -0.191 0.000 0.891 194 G HN 1.828 nan 8.290 nan 0.000 0.544 195 T N -2.937 111.595 114.554 -0.037 0.000 2.708 195 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 195 T C 2.355 177.025 174.700 -0.049 0.000 1.037 195 T CA 2.940 65.058 62.100 0.031 0.000 1.146 195 T CB -0.835 68.094 68.868 0.101 0.000 0.865 195 T HN 0.967 nan 8.240 nan 0.000 0.435 196 T N 1.324 115.861 114.554 -0.028 0.000 2.708 196 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 196 T C 2.135 176.787 174.700 -0.080 0.000 1.037 196 T CA 1.540 63.610 62.100 -0.051 0.000 1.146 196 T CB -0.328 68.561 68.868 0.035 0.000 0.865 196 T HN 0.304 nan 8.240 nan 0.000 0.435 197 R N 0.886 121.355 120.500 -0.051 0.000 2.081 197 R HA 0.125 4.465 4.340 -0.000 0.000 0.235 197 R C 2.208 178.535 176.300 0.045 0.000 1.131 197 R CA 1.215 57.311 56.100 -0.007 0.000 0.960 197 R CB -0.831 29.450 30.300 -0.032 0.000 0.856 197 R HN 0.453 nan 8.270 nan 0.000 0.436 198 I N 0.308 120.874 120.570 -0.007 0.000 2.439 198 I HA -0.153 4.017 4.170 -0.000 0.000 0.251 198 I C 1.681 177.869 176.117 0.119 0.000 1.139 198 I CA 1.188 62.538 61.300 0.083 0.000 1.438 198 I CB 0.071 38.093 38.000 0.037 0.000 1.085 198 I HN 0.338 nan 8.210 nan 0.000 0.427 199 I N -2.683 117.899 120.570 0.019 0.000 3.603 199 I HA 0.132 4.302 4.170 -0.000 0.000 0.297 199 I C 0.794 176.833 176.117 -0.130 0.000 1.269 199 I CA -0.022 61.239 61.300 -0.064 0.000 1.361 199 I CB -0.093 37.762 38.000 -0.242 0.000 1.063 199 I HN -0.098 nan 8.210 nan 0.000 0.448 200 S N 1.295 116.926 115.700 -0.115 0.000 2.565 200 S HA 0.269 4.739 4.470 -0.000 0.000 0.274 200 S C 0.938 175.502 174.600 -0.060 0.000 1.309 200 S CA -0.297 57.839 58.200 -0.107 0.000 1.043 200 S CB 1.692 64.835 63.200 -0.095 0.000 0.939 200 S HN 0.302 nan 8.310 nan 0.000 0.504 201 T N 2.290 116.809 114.554 -0.059 0.000 2.896 201 T HA 0.023 4.373 4.350 -0.000 0.000 0.238 201 T C 0.608 175.273 174.700 -0.058 0.000 1.045 201 T CA 0.660 62.720 62.100 -0.066 0.000 1.248 201 T CB -0.342 68.489 68.868 -0.063 0.000 0.955 201 T HN 0.607 nan 8.240 nan 0.000 0.416 202 T N 3.572 118.099 114.554 -0.046 0.000 2.831 202 T HA 0.088 4.438 4.350 -0.000 0.000 0.291 202 T C 0.708 175.389 174.700 -0.032 0.000 0.981 202 T CA 0.431 62.510 62.100 -0.034 0.000 1.174 202 T CB -0.195 68.660 68.868 -0.023 0.000 0.929 202 T HN 0.521 nan 8.240 nan 0.000 0.532 203 N N 0.814 119.497 118.700 -0.029 0.000 2.782 203 N HA -0.146 4.594 4.740 -0.000 0.000 0.251 203 N C 0.127 175.630 175.510 -0.011 0.000 1.101 203 N CA 1.422 54.461 53.050 -0.019 0.000 0.764 203 N CB -1.060 37.421 38.487 -0.009 0.000 1.122 203 N HN 0.954 nan 8.380 nan 0.000 0.561 204 G N -3.149 105.637 108.800 -0.023 0.000 2.975 204 G HA2 0.569 4.529 3.960 -0.000 0.000 0.291 204 G HA3 0.569 4.529 3.960 -0.000 0.000 0.291 204 G C 0.966 175.849 174.900 -0.028 0.000 1.334 204 G CA -0.033 45.072 45.100 0.008 0.000 0.843 204 G HN 0.295 nan 8.290 nan 0.000 0.548 205 G N -0.959 107.861 108.800 0.033 0.000 2.479 205 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.220 205 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.220 205 G C 1.166 176.016 174.900 -0.084 0.000 1.115 205 G CA 0.974 46.017 45.100 -0.096 0.000 0.757 205 G HN 0.410 nan 8.290 nan 0.000 0.560 206 Q N -0.473 119.275 119.800 -0.087 0.000 2.204 206 Q HA 0.270 4.610 4.340 -0.000 0.000 0.209 206 Q C 1.676 177.597 176.000 -0.132 0.000 0.861 206 Q CA -0.120 55.568 55.803 -0.192 0.000 0.971 206 Q CB 0.699 29.238 28.738 -0.332 0.000 1.095 206 Q HN 0.626 nan 8.270 nan 0.000 0.486 207 E N 0.470 120.609 120.200 -0.103 0.000 2.110 207 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 207 E C -0.040 176.494 176.600 -0.110 0.000 0.988 207 E CA 0.789 57.132 56.400 -0.095 0.000 0.804 207 E CB 0.430 30.072 29.700 -0.096 0.000 0.745 207 E HN 0.152 nan 8.360 nan 0.000 0.458 208 R N -0.888 119.525 120.500 -0.145 0.000 2.836 208 R HA 0.465 4.805 4.340 -0.000 0.000 0.269 208 R C -1.068 175.017 176.300 -0.358 0.000 1.010 208 R CA -0.736 55.196 56.100 -0.281 0.000 0.930 208 R CB 2.019 32.133 30.300 -0.310 0.000 1.218 208 R HN -0.177 nan 8.270 nan 0.000 0.473 209 K N 0.586 120.605 120.400 -0.635 0.000 2.444 209 K HA 0.440 4.760 4.320 -0.000 0.000 0.252 209 K C -1.154 175.117 176.600 -0.549 0.000 0.993 209 K CA -0.711 55.211 56.287 -0.609 0.000 0.847 209 K CB 1.592 33.775 32.500 -0.528 0.000 1.340 209 K HN 0.243 nan 8.250 nan 0.000 0.446 210 F N 1.127 121.017 119.950 -0.100 0.000 2.410 210 F HA 0.151 4.678 4.527 -0.000 0.000 0.348 210 F C 0.461 176.325 175.800 0.106 0.000 1.106 210 F CA -0.937 57.056 58.000 -0.013 0.000 1.163 210 F CB 0.978 39.946 39.000 -0.053 0.000 1.129 210 F HN 0.010 nan 8.300 nan 0.000 0.516 211 V N 3.771 123.897 119.914 0.354 0.000 2.493 211 V HA 0.215 4.335 4.120 -0.000 0.000 0.292 211 V C 0.941 176.947 176.094 -0.147 0.000 1.016 211 V CA 1.189 63.616 62.300 0.212 0.000 1.097 211 V CB 0.101 32.024 31.823 0.167 0.000 0.947 211 V HN 1.112 nan 8.190 nan 0.000 0.479 212 G N 3.312 111.643 108.800 -0.781 0.000 2.195 212 G HA2 0.144 4.104 3.960 -0.000 0.000 0.246 212 G HA3 0.144 4.104 3.960 -0.000 0.000 0.246 212 G C 0.772 175.153 174.900 -0.864 0.000 0.984 212 G CA -0.088 44.263 45.100 -1.247 0.000 0.633 212 G HN 2.426 nan 8.290 nan 0.000 0.525 213 G N -1.460 107.119 108.800 -0.368 0.000 2.697 213 G HA2 0.371 4.331 3.960 -0.000 0.000 0.686 213 G HA3 0.371 4.331 3.960 -0.000 0.000 0.686 213 G C 0.809 175.721 174.900 0.019 0.000 1.179 213 G CA 0.837 45.913 45.100 -0.040 0.000 0.765 213 G HN 1.872 nan 8.290 nan 0.000 0.649 214 S N 0.086 115.853 115.700 0.112 0.000 2.453 214 S HA 0.123 4.593 4.470 -0.000 0.000 0.231 214 S C 2.538 177.131 174.600 -0.012 0.000 1.005 214 S CA 1.638 59.904 58.200 0.110 0.000 0.949 214 S CB -0.045 63.278 63.200 0.205 0.000 0.774 214 S HN 2.174 nan 8.310 nan 0.000 0.510 215 G N 1.409 110.211 108.800 0.004 0.000 2.479 215 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 215 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 215 G C 1.442 176.315 174.900 -0.045 0.000 1.115 215 G CA 0.658 45.762 45.100 0.007 0.000 0.757 215 G HN 0.639 nan 8.290 nan 0.000 0.560 216 Q N -0.239 119.499 119.800 -0.102 0.000 2.226 216 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 216 Q C 2.723 178.631 176.000 -0.154 0.000 0.975 216 Q CA 0.866 56.589 55.803 -0.132 0.000 0.866 216 Q CB -0.138 28.497 28.738 -0.172 0.000 0.915 216 Q HN 0.434 nan 8.270 nan 0.000 0.440 217 V N 0.230 120.028 119.914 -0.194 0.000 2.255 217 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 217 V C 2.117 178.149 176.094 -0.102 0.000 1.051 217 V CA 2.152 64.338 62.300 -0.190 0.000 1.018 217 V CB -0.577 31.117 31.823 -0.215 0.000 0.641 217 V HN 0.295 nan 8.190 nan 0.000 0.445 218 S N -0.802 114.862 115.700 -0.060 0.000 2.383 218 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 218 S C 1.913 176.494 174.600 -0.032 0.000 1.026 218 S CA 1.350 59.533 58.200 -0.029 0.000 0.981 218 S CB -0.243 62.961 63.200 0.008 0.000 0.818 218 S HN 0.674 nan 8.310 nan 0.000 0.472 219 E N 1.037 121.216 120.200 -0.034 0.000 2.077 219 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 219 E C 2.334 178.905 176.600 -0.048 0.000 0.989 219 E CA 0.872 57.252 56.400 -0.032 0.000 0.800 219 E CB -0.064 29.616 29.700 -0.033 0.000 0.746 219 E HN 0.351 nan 8.360 nan 0.000 0.452 220 R N 0.179 120.640 120.500 -0.066 0.000 2.148 220 R HA -0.016 4.324 4.340 -0.000 0.000 0.223 220 R C 2.296 178.557 176.300 -0.065 0.000 1.088 220 R CA 0.765 56.824 56.100 -0.068 0.000 0.985 220 R CB -0.119 30.131 30.300 -0.083 0.000 0.880 220 R HN 0.220 nan 8.270 nan 0.000 0.451 221 I N 0.564 121.094 120.570 -0.066 0.000 2.353 221 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 221 I C 2.614 178.686 176.117 -0.075 0.000 1.119 221 I CA 1.003 62.263 61.300 -0.068 0.000 1.417 221 I CB -0.147 37.818 38.000 -0.059 0.000 1.078 221 I HN 0.190 nan 8.210 nan 0.000 0.421 222 M N 0.925 120.489 119.600 -0.060 0.000 2.159 222 M HA -0.247 4.233 4.480 -0.000 0.000 0.263 222 M C 1.639 177.902 176.300 -0.061 0.000 1.063 222 M CA 1.953 57.219 55.300 -0.057 0.000 1.110 222 M CB -0.187 32.391 32.600 -0.037 0.000 1.374 222 M HN 0.129 nan 8.290 nan 0.000 0.411 223 D N 0.706 121.074 120.400 -0.054 0.000 2.123 223 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 223 D C 2.049 178.312 176.300 -0.062 0.000 0.992 223 D CA 1.472 55.442 54.000 -0.049 0.000 0.833 223 D CB -0.478 40.297 40.800 -0.042 0.000 0.954 223 D HN 0.437 nan 8.370 nan 0.000 0.455 224 L N 0.045 121.220 121.223 -0.079 0.000 2.141 224 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 224 L C 2.355 179.113 176.870 -0.187 0.000 1.094 224 L CA 0.605 55.384 54.840 -0.101 0.000 0.763 224 L CB -0.192 41.810 42.059 -0.095 0.000 0.908 224 L HN 0.021 nan 8.230 nan 0.000 0.437 225 L N -1.230 119.869 121.223 -0.206 0.000 2.446 225 L HA 0.155 4.495 4.340 -0.000 0.000 0.219 225 L C 1.678 178.460 176.870 -0.146 0.000 1.116 225 L CA 0.412 55.088 54.840 -0.273 0.000 0.844 225 L CB -0.653 41.274 42.059 -0.220 0.000 0.970 225 L HN 0.422 nan 8.230 nan 0.000 0.457 226 G N 1.979 110.725 108.800 -0.090 0.000 2.591 226 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.298 226 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.298 226 G C 0.528 175.408 174.900 -0.032 0.000 1.195 226 G CA 0.538 45.610 45.100 -0.047 0.000 0.989 226 G HN 0.505 nan 8.290 nan 0.000 0.551 227 D N 0.988 121.380 120.400 -0.014 0.000 2.363 227 D HA 0.042 4.682 4.640 -0.000 0.000 0.226 227 D C 2.070 178.373 176.300 0.005 0.000 1.020 227 D CA 0.866 54.867 54.000 0.001 0.000 0.892 227 D CB -0.332 40.477 40.800 0.015 0.000 0.900 227 D HN 0.637 nan 8.370 nan 0.000 0.531 228 R N -0.065 120.427 120.500 -0.012 0.000 2.189 228 R HA 0.093 4.433 4.340 -0.000 0.000 0.218 228 R C 0.256 176.535 176.300 -0.035 0.000 1.074 228 R CA 0.290 56.383 56.100 -0.013 0.000 0.991 228 R CB 0.247 30.531 30.300 -0.026 0.000 0.883 228 R HN 0.094 nan 8.270 nan 0.000 0.457 229 V N 2.999 122.888 119.914 -0.041 0.000 2.406 229 V HA 0.120 4.240 4.120 -0.000 0.000 0.272 229 V C -0.087 175.985 176.094 -0.038 0.000 1.043 229 V CA -0.420 61.851 62.300 -0.049 0.000 0.915 229 V CB 1.346 33.142 31.823 -0.046 0.000 0.988 229 V HN 0.047 nan 8.190 nan 0.000 0.466 230 K N 6.519 126.884 120.400 -0.058 0.000 2.334 230 K HA 0.539 4.859 4.320 -0.000 0.000 0.265 230 K C -0.713 175.860 176.600 -0.045 0.000 1.039 230 K CA -0.339 55.925 56.287 -0.038 0.000 0.920 230 K CB 1.900 34.373 32.500 -0.046 0.000 1.160 230 K HN 0.498 nan 8.250 nan 0.000 0.451 231 L N 1.644 122.852 121.223 -0.025 0.000 2.399 231 L HA 0.168 4.508 4.340 -0.000 0.000 0.266 231 L C 0.713 177.566 176.870 -0.028 0.000 1.114 231 L CA -0.176 54.645 54.840 -0.030 0.000 0.804 231 L CB 0.219 42.269 42.059 -0.016 0.000 1.146 231 L HN 0.700 nan 8.230 nan 0.000 0.451 232 E N 0.636 120.807 120.200 -0.048 0.000 2.389 232 E HA -0.227 4.123 4.350 -0.000 0.000 0.243 232 E C -0.503 176.076 176.600 -0.034 0.000 1.154 232 E CA 0.287 56.660 56.400 -0.045 0.000 0.723 232 E CB -0.819 28.873 29.700 -0.013 0.000 1.261 232 E HN 0.381 nan 8.360 nan 0.000 0.390 233 R N 0.195 120.658 120.500 -0.062 0.000 2.724 233 R HA 0.245 4.585 4.340 -0.000 0.000 0.284 233 R C -2.713 173.534 176.300 -0.089 0.000 1.481 233 R CA -1.940 54.136 56.100 -0.041 0.000 1.652 233 R CB 0.615 30.893 30.300 -0.037 0.000 1.175 233 R HN -0.017 nan 8.270 nan 0.000 0.613 234 P HA 0.011 nan 4.420 nan 0.000 0.271 234 P C -0.288 176.996 177.300 -0.027 0.000 1.226 234 P CA -0.154 62.866 63.100 -0.134 0.000 0.765 234 P CB 0.909 32.545 31.700 -0.106 0.000 0.835 235 V N 5.602 125.501 119.914 -0.024 0.000 2.555 235 V HA 0.044 4.164 4.120 -0.000 0.000 0.286 235 V C 1.713 177.830 176.094 0.038 0.000 1.044 235 V CA 0.467 62.770 62.300 0.005 0.000 1.026 235 V CB 0.287 32.099 31.823 -0.019 0.000 0.981 235 V HN 0.536 nan 8.190 nan 0.000 0.480 236 I N 1.891 122.493 120.570 0.053 0.000 4.323 236 I HA 0.449 4.619 4.170 -0.000 0.000 0.328 236 I C -0.010 176.188 176.117 0.135 0.000 1.310 236 I CA 0.108 61.463 61.300 0.092 0.000 1.186 236 I CB 0.611 38.643 38.000 0.054 0.000 1.130 236 I HN 0.494 nan 8.210 nan 0.000 0.411 237 Y N 1.825 122.063 120.300 -0.103 0.000 2.390 237 Y HA 0.675 5.225 4.550 -0.000 0.000 0.324 237 Y C -1.889 173.922 175.900 -0.148 0.000 1.151 237 Y CA -1.539 56.480 58.100 -0.136 0.000 1.053 237 Y CB 1.587 39.989 38.460 -0.097 0.000 1.277 237 Y HN -0.013 nan 8.280 nan 0.000 0.432 238 I N 5.806 125.950 120.570 -0.709 0.000 2.447 238 I HA 0.307 4.477 4.170 -0.000 0.000 0.287 238 I C -1.315 174.407 176.117 -0.659 0.000 1.023 238 I CA -0.687 60.284 61.300 -0.548 0.000 1.083 238 I CB 1.805 39.633 38.000 -0.287 0.000 1.245 238 I HN 0.519 nan 8.210 nan 0.000 0.434 239 D N 6.054 126.139 120.400 -0.525 0.000 2.425 239 D HA 0.269 4.909 4.640 -0.000 0.000 0.240 239 D C -0.257 175.970 176.300 -0.122 0.000 1.080 239 D CA -0.196 53.598 54.000 -0.343 0.000 0.836 239 D CB 1.588 42.232 40.800 -0.260 0.000 1.125 239 D HN 0.503 nan 8.370 nan 0.000 0.525 240 Q N 1.751 121.518 119.800 -0.056 0.000 2.172 240 Q HA 0.076 4.416 4.340 -0.000 0.000 0.217 240 Q C 1.160 177.155 176.000 -0.009 0.000 0.832 240 Q CA 0.004 55.794 55.803 -0.022 0.000 1.010 240 Q CB 0.811 29.550 28.738 0.002 0.000 1.133 240 Q HN 0.560 nan 8.270 nan 0.000 0.489 241 T N -2.654 111.899 114.554 -0.001 0.000 3.067 241 T HA 0.115 4.465 4.350 -0.000 0.000 0.261 241 T C 0.980 175.683 174.700 0.005 0.000 1.110 241 T CA 0.258 62.364 62.100 0.011 0.000 1.113 241 T CB 0.335 69.220 68.868 0.028 0.000 0.917 241 T HN 0.046 nan 8.240 nan 0.000 0.499 242 R N 0.221 120.720 120.500 -0.003 0.000 2.843 242 R HA 0.457 4.797 4.340 -0.000 0.000 0.232 242 R C 1.565 177.853 176.300 -0.020 0.000 1.305 242 R CA -0.732 55.365 56.100 -0.006 0.000 1.096 242 R CB 0.680 30.980 30.300 -0.001 0.000 1.455 242 R HN 0.083 nan 8.270 nan 0.000 0.520 243 E N 0.620 120.807 120.200 -0.021 0.000 2.058 243 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 243 E C -0.341 176.226 176.600 -0.055 0.000 0.997 243 E CA 1.242 57.621 56.400 -0.033 0.000 0.801 243 E CB 0.163 29.847 29.700 -0.026 0.000 0.746 243 E HN 0.292 nan 8.360 nan 0.000 0.450 244 N N 0.129 118.801 118.700 -0.046 0.000 2.417 244 N HA 0.180 4.920 4.740 -0.000 0.000 0.300 244 N C -0.896 174.585 175.510 -0.047 0.000 1.102 244 N CA -0.393 52.623 53.050 -0.058 0.000 0.886 244 N CB 2.097 40.561 38.487 -0.039 0.000 1.203 244 N HN -0.162 nan 8.380 nan 0.000 0.496 245 V N 2.043 121.922 119.914 -0.058 0.000 2.637 245 V HA 0.166 4.286 4.120 -0.000 0.000 0.296 245 V C 0.479 176.562 176.094 -0.018 0.000 1.046 245 V CA -0.237 62.038 62.300 -0.041 0.000 1.066 245 V CB 0.185 31.986 31.823 -0.037 0.000 0.968 245 V HN 0.373 nan 8.190 nan 0.000 0.483 246 L N 5.469 126.675 121.223 -0.028 0.000 2.296 246 L HA 0.581 4.921 4.340 -0.000 0.000 0.286 246 L C -0.622 176.234 176.870 -0.022 0.000 1.023 246 L CA -0.515 54.324 54.840 -0.001 0.000 0.812 246 L CB 1.830 43.900 42.059 0.018 0.000 1.223 246 L HN 0.379 nan 8.230 nan 0.000 0.421 247 V N 2.816 122.761 119.914 0.051 0.000 2.407 247 V HA 0.354 4.474 4.120 -0.000 0.000 0.291 247 V C -0.224 175.960 176.094 0.150 0.000 1.018 247 V CA -0.636 61.698 62.300 0.056 0.000 0.842 247 V CB 1.708 33.563 31.823 0.054 0.000 0.996 247 V HN 0.722 nan 8.190 nan 0.000 0.426 248 E N 2.930 123.214 120.200 0.140 0.000 2.191 248 E HA 0.652 5.002 4.350 -0.000 0.000 0.274 248 E C -0.237 176.436 176.600 0.122 0.000 0.948 248 E CA -0.458 56.037 56.400 0.159 0.000 0.802 248 E CB 1.800 31.606 29.700 0.177 0.000 1.137 248 E HN 0.840 nan 8.360 nan 0.000 0.397 249 T N 0.910 115.539 114.554 0.125 0.000 2.948 249 T HA 0.207 4.557 4.350 -0.000 0.000 0.285 249 T C 0.919 175.655 174.700 0.059 0.000 1.019 249 T CA -0.842 61.314 62.100 0.093 0.000 1.013 249 T CB 1.097 70.043 68.868 0.130 0.000 1.117 249 T HN 0.435 nan 8.240 nan 0.000 0.533 250 L N 1.504 122.764 121.223 0.060 0.000 2.131 250 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 250 L C 1.879 178.841 176.870 0.152 0.000 1.092 250 L CA 2.022 56.904 54.840 0.071 0.000 0.759 250 L CB -1.118 40.989 42.059 0.079 0.000 0.903 250 L HN 0.929 nan 8.230 nan 0.000 0.435 251 N N -2.802 115.988 118.700 0.151 0.000 2.421 251 N HA -0.086 4.654 4.740 -0.000 0.000 0.201 251 N C 0.354 176.024 175.510 0.267 0.000 1.198 251 N CA 0.412 53.572 53.050 0.184 0.000 0.838 251 N CB -0.325 38.221 38.487 0.099 0.000 1.011 251 N HN 0.482 nan 8.380 nan 0.000 0.463 252 H N -2.518 116.566 119.070 0.023 0.000 3.636 252 H HA -0.150 4.406 4.556 -0.000 0.000 0.179 252 H C -0.748 174.583 175.328 0.005 0.000 0.968 252 H CA 0.720 56.773 56.048 0.007 0.000 1.220 252 H CB -1.233 28.524 29.762 -0.008 0.000 1.023 252 H HN 0.585 nan 8.280 nan 0.000 0.366 253 E N 0.848 121.119 120.200 0.119 0.000 2.383 253 E HA 0.329 4.679 4.350 -0.000 0.000 0.264 253 E C 0.123 176.722 176.600 -0.001 0.000 1.050 253 E CA -0.081 56.334 56.400 0.025 0.000 0.896 253 E CB 0.955 30.692 29.700 0.063 0.000 0.982 253 E HN 0.042 nan 8.360 nan 0.000 0.424 254 M N 2.705 122.201 119.600 -0.173 0.000 2.321 254 M HA 0.332 4.812 4.480 -0.000 0.000 0.315 254 M C -2.017 174.084 176.300 -0.333 0.000 1.052 254 M CA -0.428 54.805 55.300 -0.111 0.000 0.936 254 M CB 0.987 33.553 32.600 -0.057 0.000 1.639 254 M HN 0.366 nan 8.290 nan 0.000 0.433 255 Y N 1.704 122.012 120.300 0.013 0.000 2.409 255 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 255 Y C -0.421 175.479 175.900 0.001 0.000 0.973 255 Y CA -0.667 57.437 58.100 0.007 0.000 1.064 255 Y CB 1.798 40.261 38.460 0.006 0.000 1.207 255 Y HN 0.577 nan 8.280 nan 0.000 0.452 256 E N 1.834 122.105 120.200 0.119 0.000 2.176 256 E HA 0.828 5.178 4.350 -0.000 0.000 0.267 256 E C -1.335 175.302 176.600 0.062 0.000 0.893 256 E CA -0.668 55.769 56.400 0.061 0.000 0.761 256 E CB 1.315 31.028 29.700 0.021 0.000 1.133 256 E HN 0.754 nan 8.360 nan 0.000 0.409 257 A N 3.318 126.158 122.820 0.033 0.000 2.594 257 A HA 0.366 4.686 4.320 -0.000 0.000 0.291 257 A C -0.028 177.528 177.584 -0.046 0.000 1.105 257 A CA -0.646 51.403 52.037 0.021 0.000 0.694 257 A CB 1.443 20.473 19.000 0.050 0.000 1.291 257 A HN 0.659 nan 8.150 nan 0.000 0.410 258 K N -0.742 119.613 120.400 -0.075 0.000 2.116 258 K HA 0.101 4.421 4.320 -0.000 0.000 0.203 258 K C -0.659 175.602 176.600 -0.564 0.000 1.052 258 K CA 1.484 57.593 56.287 -0.297 0.000 0.952 258 K CB -0.066 32.295 32.500 -0.233 0.000 0.729 258 K HN 0.611 nan 8.250 nan 0.000 0.446 259 Y N -1.245 119.075 120.300 0.034 0.000 2.615 259 Y HA 0.410 4.960 4.550 -0.000 0.000 0.341 259 Y C -0.646 175.278 175.900 0.039 0.000 1.089 259 Y CA -1.321 56.814 58.100 0.059 0.000 1.049 259 Y CB 1.818 40.311 38.460 0.055 0.000 1.296 259 Y HN -0.424 nan 8.280 nan 0.000 0.470 260 V N 3.029 123.080 119.914 0.228 0.000 2.656 260 V HA 0.477 4.597 4.120 -0.000 0.000 0.307 260 V C -0.651 175.489 176.094 0.077 0.000 1.051 260 V CA -0.865 61.497 62.300 0.102 0.000 0.893 260 V CB 2.116 33.964 31.823 0.042 0.000 0.999 260 V HN 0.545 nan 8.190 nan 0.000 0.426 261 I N 2.810 123.396 120.570 0.026 0.000 2.339 261 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 261 I C 0.279 176.381 176.117 -0.025 0.000 0.994 261 I CA -0.146 61.149 61.300 -0.008 0.000 1.191 261 I CB 1.885 39.888 38.000 0.006 0.000 1.343 261 I HN 0.598 nan 8.210 nan 0.000 0.458 262 S N 5.467 121.119 115.700 -0.080 0.000 2.399 262 S HA 0.515 4.985 4.470 -0.000 0.000 0.301 262 S C 0.405 175.083 174.600 0.130 0.000 1.093 262 S CA -0.480 57.744 58.200 0.040 0.000 1.077 262 S CB 0.488 63.743 63.200 0.091 0.000 0.980 262 S HN 0.710 nan 8.310 nan 0.000 0.494 263 A N 6.009 128.895 122.820 0.110 0.000 2.965 263 A HA 0.478 4.798 4.320 -0.000 0.000 0.304 263 A C 0.291 177.952 177.584 0.130 0.000 1.214 263 A CA -0.691 51.418 52.037 0.120 0.000 0.977 263 A CB -0.577 18.470 19.000 0.078 0.000 1.127 263 A HN 0.906 nan 8.150 nan 0.000 0.572 264 I N -4.017 116.648 120.570 0.159 0.000 2.797 264 I HA 0.683 4.853 4.170 -0.000 0.000 0.307 264 I C -2.918 173.295 176.117 0.160 0.000 1.033 264 I CA -3.124 58.267 61.300 0.152 0.000 1.071 264 I CB 1.553 39.644 38.000 0.152 0.000 1.255 264 I HN -0.151 nan 8.210 nan 0.000 0.445 265 P HA 0.120 nan 4.420 nan 0.000 0.264 265 P C -2.173 175.180 177.300 0.089 0.000 1.183 265 P CA -0.602 62.566 63.100 0.113 0.000 0.763 265 P CB -0.041 31.712 31.700 0.089 0.000 0.807 266 P HA -0.226 nan 4.420 nan 0.000 0.216 266 P C 1.616 178.899 177.300 -0.029 0.000 1.157 266 P CA 1.880 64.983 63.100 0.004 0.000 0.880 266 P CB -0.261 31.407 31.700 -0.052 0.000 0.791 267 T N -1.393 113.119 114.554 -0.070 0.000 2.881 267 T HA -0.065 4.285 4.350 -0.000 0.000 0.270 267 T C 1.518 176.208 174.700 -0.017 0.000 1.068 267 T CA 0.739 62.787 62.100 -0.086 0.000 1.131 267 T CB -0.808 67.973 68.868 -0.145 0.000 0.871 267 T HN -0.038 nan 8.240 nan 0.000 0.479 268 L N 0.357 121.600 121.223 0.033 0.000 2.465 268 L HA 0.136 4.476 4.340 -0.000 0.000 0.224 268 L C 2.807 179.750 176.870 0.122 0.000 1.145 268 L CA 0.680 55.568 54.840 0.080 0.000 0.834 268 L CB -0.708 41.423 42.059 0.120 0.000 0.944 268 L HN 0.348 nan 8.230 nan 0.000 0.451 269 G N -0.011 108.873 108.800 0.139 0.000 2.479 269 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 269 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 269 G C 1.590 176.626 174.900 0.227 0.000 1.115 269 G CA 0.304 45.544 45.100 0.233 0.000 0.757 269 G HN 0.170 nan 8.290 nan 0.000 0.560 270 M N 0.352 120.015 119.600 0.104 0.000 2.358 270 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 270 M C 2.040 178.354 176.300 0.023 0.000 1.064 270 M CA 0.977 56.307 55.300 0.050 0.000 1.093 270 M CB -0.495 32.097 32.600 -0.013 0.000 1.401 270 M HN 0.241 nan 8.290 nan 0.000 0.440 271 K N 0.168 120.605 120.400 0.062 0.000 2.486 271 K HA 0.167 4.487 4.320 -0.000 0.000 0.194 271 K C 0.418 177.069 176.600 0.085 0.000 1.033 271 K CA 0.437 56.770 56.287 0.076 0.000 1.004 271 K CB 0.191 32.770 32.500 0.131 0.000 0.798 271 K HN 0.327 nan 8.250 nan 0.000 0.495 272 I N 1.275 121.859 120.570 0.022 0.000 2.404 272 I HA 0.130 4.300 4.170 -0.000 0.000 0.293 272 I C 0.106 176.082 176.117 -0.235 0.000 0.992 272 I CA -0.750 60.474 61.300 -0.127 0.000 1.149 272 I CB 1.335 39.110 38.000 -0.375 0.000 1.315 272 I HN 0.043 nan 8.210 nan 0.000 0.446 273 H N 6.088 125.051 119.070 -0.179 0.000 2.562 273 H HA 0.340 4.896 4.556 -0.000 0.000 0.314 273 H C -1.095 174.136 175.328 -0.163 0.000 1.079 273 H CA -0.222 55.819 56.048 -0.013 0.000 1.349 273 H CB 1.140 30.981 29.762 0.133 0.000 1.432 273 H HN 0.323 nan 8.280 nan 0.000 0.479 274 F N 1.951 121.995 119.950 0.157 0.000 2.443 274 F HA 0.169 4.696 4.527 -0.000 0.000 0.335 274 F C 0.599 176.434 175.800 0.058 0.000 1.104 274 F CA -0.714 57.310 58.000 0.040 0.000 1.013 274 F CB 1.347 40.359 39.000 0.020 0.000 1.136 274 F HN 0.475 nan 8.300 nan 0.000 0.470 275 N N 4.322 123.099 118.700 0.128 0.000 2.480 275 N HA 0.411 5.151 4.740 -0.000 0.000 0.289 275 N C -3.041 172.508 175.510 0.065 0.000 1.073 275 N CA -2.324 50.795 53.050 0.115 0.000 0.885 275 N CB 2.120 40.698 38.487 0.151 0.000 1.421 275 N HN 0.067 nan 8.380 nan 0.000 0.503 276 P HA 0.302 nan 4.420 nan 0.000 0.273 276 P C -2.639 174.731 177.300 0.117 0.000 1.250 276 P CA -0.967 62.185 63.100 0.087 0.000 0.793 276 P CB -0.386 31.345 31.700 0.053 0.000 1.011 277 P HA 0.075 nan 4.420 nan 0.000 0.268 277 P C 0.120 177.430 177.300 0.016 0.000 1.208 277 P CA 0.265 63.421 63.100 0.095 0.000 0.777 277 P CB 0.169 31.907 31.700 0.063 0.000 0.875 278 L N 3.498 124.681 121.223 -0.066 0.000 2.499 278 L HA 0.103 4.443 4.340 -0.000 0.000 0.281 278 L C -1.633 175.180 176.870 -0.095 0.000 1.234 278 L CA -1.485 53.248 54.840 -0.178 0.000 0.839 278 L CB -0.720 41.149 42.059 -0.317 0.000 1.104 278 L HN 0.305 nan 8.230 nan 0.000 0.500 279 P HA -0.060 nan 4.420 nan 0.000 0.268 279 P C 0.668 177.934 177.300 -0.057 0.000 1.208 279 P CA -0.148 62.916 63.100 -0.060 0.000 0.777 279 P CB 0.465 32.129 31.700 -0.061 0.000 0.875 280 M N 2.074 121.653 119.600 -0.035 0.000 2.113 280 M HA -0.257 4.223 4.480 -0.000 0.000 0.255 280 M C 1.237 177.539 176.300 0.005 0.000 1.073 280 M CA 2.364 57.654 55.300 -0.017 0.000 1.091 280 M CB -0.379 32.214 32.600 -0.012 0.000 1.309 280 M HN 0.179 nan 8.290 nan 0.000 0.407 281 M N -0.380 119.219 119.600 -0.001 0.000 2.117 281 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 281 M C 2.308 178.646 176.300 0.063 0.000 1.065 281 M CA 1.830 57.166 55.300 0.060 0.000 1.114 281 M CB -1.499 31.084 32.600 -0.029 0.000 1.361 281 M HN 0.440 nan 8.290 nan 0.000 0.408 282 R N 0.237 120.704 120.500 -0.054 0.000 2.092 282 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 282 R C 2.011 178.225 176.300 -0.142 0.000 1.119 282 R CA 1.641 57.661 56.100 -0.133 0.000 0.970 282 R CB -0.207 29.964 30.300 -0.214 0.000 0.864 282 R HN 0.340 nan 8.270 nan 0.000 0.440 283 N N 0.491 119.123 118.700 -0.112 0.000 2.061 283 N HA -0.226 4.514 4.740 -0.000 0.000 0.193 283 N C 1.589 177.034 175.510 -0.108 0.000 1.030 283 N CA 1.906 54.896 53.050 -0.099 0.000 0.856 283 N CB 0.026 38.476 38.487 -0.061 0.000 1.023 283 N HN 0.340 nan 8.380 nan 0.000 0.424 284 Q N -1.069 118.676 119.800 -0.093 0.000 2.163 284 Q HA -0.048 4.292 4.340 -0.000 0.000 0.198 284 Q C 1.983 177.735 176.000 -0.413 0.000 0.954 284 Q CA 0.609 56.306 55.803 -0.177 0.000 0.851 284 Q CB -0.121 28.586 28.738 -0.051 0.000 0.928 284 Q HN 0.492 nan 8.270 nan 0.000 0.459 285 M N 1.677 121.029 119.600 -0.414 0.000 2.082 285 M HA -0.177 4.303 4.480 -0.000 0.000 0.258 285 M C 2.020 178.082 176.300 -0.397 0.000 1.069 285 M CA 1.694 56.684 55.300 -0.517 0.000 1.102 285 M CB -0.493 31.981 32.600 -0.210 0.000 1.336 285 M HN 0.309 nan 8.290 nan 0.000 0.404 286 I N -1.545 118.859 120.570 -0.276 0.000 3.334 286 I HA -0.074 4.096 4.170 -0.000 0.000 0.282 286 I C 1.430 177.416 176.117 -0.219 0.000 1.313 286 I CA 1.373 62.540 61.300 -0.222 0.000 1.396 286 I CB -0.983 36.932 38.000 -0.142 0.000 1.054 286 I HN 0.320 nan 8.210 nan 0.000 0.495 287 T N -2.514 111.888 114.554 -0.253 0.000 3.069 287 T HA 0.292 4.642 4.350 -0.000 0.000 0.252 287 T C 1.428 175.956 174.700 -0.286 0.000 1.053 287 T CA -0.241 61.722 62.100 -0.229 0.000 0.964 287 T CB -0.037 68.721 68.868 -0.184 0.000 1.005 287 T HN 0.420 nan 8.240 nan 0.000 0.532 288 R N 0.960 121.230 120.500 -0.384 0.000 2.543 288 R HA 0.329 4.669 4.340 -0.000 0.000 0.323 288 R C -0.162 175.816 176.300 -0.537 0.000 1.002 288 R CA -0.023 55.821 56.100 -0.426 0.000 1.106 288 R CB 1.370 31.365 30.300 -0.510 0.000 1.280 288 R HN 0.426 nan 8.270 nan 0.000 0.549 289 V N -0.792 118.786 119.914 -0.560 0.000 2.383 289 V HA 0.470 4.590 4.120 -0.000 0.000 0.261 289 V C -2.694 173.035 176.094 -0.609 0.000 0.987 289 V CA -2.335 59.518 62.300 -0.745 0.000 0.853 289 V CB 0.713 32.057 31.823 -0.798 0.000 1.095 289 V HN -0.106 nan 8.190 nan 0.000 0.461 290 P HA 0.516 nan 4.420 nan 0.000 0.276 290 P C -0.638 176.336 177.300 -0.542 0.000 1.252 290 P CA -0.363 62.397 63.100 -0.566 0.000 0.802 290 P CB 1.843 33.192 31.700 -0.585 0.000 1.035 291 L N 0.230 121.312 121.223 -0.236 0.000 2.352 291 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 291 L C 1.479 178.398 176.870 0.082 0.000 1.034 291 L CA -0.172 54.629 54.840 -0.065 0.000 0.806 291 L CB 0.526 42.580 42.059 -0.009 0.000 1.244 291 L HN 0.476 nan 8.230 nan 0.000 0.447 292 G N -0.053 108.822 108.800 0.126 0.000 2.631 292 G HA2 0.407 4.367 3.960 -0.000 0.000 0.271 292 G HA3 0.407 4.367 3.960 -0.000 0.000 0.271 292 G C -0.773 174.128 174.900 0.001 0.000 1.302 292 G CA -0.359 44.779 45.100 0.063 0.000 1.002 292 G HN 0.497 nan 8.290 nan 0.000 0.519 293 S N -1.387 114.283 115.700 -0.050 0.000 2.605 293 S HA 0.584 5.054 4.470 -0.000 0.000 0.308 293 S C -1.041 173.543 174.600 -0.027 0.000 1.113 293 S CA -0.499 57.699 58.200 -0.003 0.000 1.049 293 S CB 1.681 64.888 63.200 0.013 0.000 1.001 293 S HN 0.810 nan 8.310 nan 0.000 0.480 294 V N 4.844 124.795 119.914 0.062 0.000 3.000 294 V HA 0.571 4.691 4.120 -0.000 0.000 0.300 294 V C -1.933 174.322 176.094 0.269 0.000 1.251 294 V CA -0.745 61.629 62.300 0.122 0.000 0.972 294 V CB 1.791 33.634 31.823 0.033 0.000 1.065 294 V HN 0.878 nan 8.190 nan 0.000 0.431 295 I N 5.278 126.016 120.570 0.279 0.000 2.362 295 I HA 0.517 4.687 4.170 -0.000 0.000 0.289 295 I C -0.201 176.156 176.117 0.401 0.000 0.994 295 I CA -0.607 60.875 61.300 0.304 0.000 1.158 295 I CB 1.705 39.824 38.000 0.198 0.000 1.315 295 I HN 0.514 nan 8.210 nan 0.000 0.451 296 K N 5.896 126.565 120.400 0.449 0.000 2.211 296 K HA 0.572 4.892 4.320 -0.000 0.000 0.275 296 K C -1.443 175.276 176.600 0.199 0.000 1.024 296 K CA -0.314 56.208 56.287 0.391 0.000 0.887 296 K CB 0.910 33.707 32.500 0.495 0.000 1.084 296 K HN 0.695 nan 8.250 nan 0.000 0.463 297 C N 5.402 124.779 119.300 0.129 0.000 2.441 297 C HA 0.571 5.031 4.460 -0.000 0.000 0.318 297 C C -0.867 174.178 174.990 0.093 0.000 1.222 297 C CA -1.084 58.010 59.018 0.127 0.000 1.474 297 C CB 0.022 27.939 27.740 0.296 0.000 2.125 297 C HN 0.730 nan 8.230 nan 0.000 0.479 298 I N 3.122 123.714 120.570 0.036 0.000 2.439 298 I HA 0.430 4.600 4.170 -0.000 0.000 0.285 298 I C -0.274 175.876 176.117 0.055 0.000 1.021 298 I CA -0.158 61.122 61.300 -0.033 0.000 1.091 298 I CB 1.449 39.377 38.000 -0.119 0.000 1.242 298 I HN 0.347 nan 8.210 nan 0.000 0.439 299 V N 6.669 126.603 119.914 0.034 0.000 2.394 299 V HA 0.391 4.511 4.120 -0.000 0.000 0.282 299 V C -0.640 175.289 176.094 -0.274 0.000 1.031 299 V CA -0.688 61.644 62.300 0.052 0.000 0.881 299 V CB 0.888 32.778 31.823 0.112 0.000 0.982 299 V HN 0.411 nan 8.190 nan 0.000 0.451 300 Y N 4.058 124.304 120.300 -0.091 0.000 2.361 300 Y HA 0.672 5.222 4.550 0.000 0.000 0.332 300 Y C -0.262 175.494 175.900 -0.239 0.000 1.101 300 Y CA -0.411 57.680 58.100 -0.016 0.000 1.137 300 Y CB 1.403 39.955 38.460 0.154 0.000 1.207 300 Y HN 0.532 nan 8.280 nan 0.000 0.463 301 Y N -0.111 120.439 120.300 0.416 0.000 2.605 301 Y HA 0.289 4.839 4.550 -0.000 0.000 0.343 301 Y C 1.123 177.169 175.900 0.244 0.000 1.036 301 Y CA -1.387 56.928 58.100 0.358 0.000 1.065 301 Y CB 1.890 40.657 38.460 0.513 0.000 1.288 301 Y HN 0.494 nan 8.280 nan 0.000 0.481 302 K N 0.381 120.998 120.400 0.361 0.000 2.057 302 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 302 K C -0.546 176.128 176.600 0.122 0.000 1.049 302 K CA 1.676 58.071 56.287 0.180 0.000 0.931 302 K CB 0.199 32.776 32.500 0.128 0.000 0.714 302 K HN 0.722 nan 8.250 nan 0.000 0.440 303 E N -0.724 119.565 120.200 0.149 0.000 2.408 303 E HA 0.203 4.553 4.350 -0.000 0.000 0.275 303 E C -2.673 173.808 176.600 -0.200 0.000 0.935 303 E CA -2.249 54.145 56.400 -0.009 0.000 0.775 303 E CB 2.236 31.920 29.700 -0.026 0.000 1.277 303 E HN -0.039 nan 8.360 nan 0.000 0.455 304 P HA 0.042 nan 4.420 nan 0.000 0.230 304 P C 0.286 176.665 177.300 -1.535 0.000 1.791 304 P CA -0.047 62.139 63.100 -1.524 0.000 1.020 304 P CB -0.942 30.156 31.700 -1.003 0.000 1.977 305 F N 0.015 119.416 119.950 -0.915 0.000 2.250 305 F HA -0.110 4.417 4.527 -0.000 0.000 0.301 305 F C 1.724 177.362 175.800 -0.270 0.000 1.077 305 F CA -0.026 57.723 58.000 -0.418 0.000 1.348 305 F CB -1.720 37.162 39.000 -0.197 0.000 1.040 305 F HN 0.130 nan 8.300 nan 0.000 0.509 306 W N 1.289 122.264 121.300 -0.541 0.000 2.374 306 W HA 0.041 4.701 4.660 0.000 0.000 0.288 306 W C 2.010 178.475 176.519 -0.091 0.000 1.218 306 W CA 0.811 58.027 57.345 -0.215 0.000 1.245 306 W CB -1.110 28.161 29.460 -0.316 0.000 1.126 306 W HN -0.136 nan 8.180 nan 0.000 0.545 307 R N 1.212 121.494 120.500 -0.364 0.000 2.120 307 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 307 R C 2.002 178.219 176.300 -0.137 0.000 1.123 307 R CA 1.666 57.654 56.100 -0.187 0.000 0.975 307 R CB -0.395 29.735 30.300 -0.283 0.000 0.866 307 R HN 0.296 nan 8.270 nan 0.000 0.446 308 K N 0.586 120.901 120.400 -0.143 0.000 2.283 308 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 308 K C 1.305 177.837 176.600 -0.113 0.000 1.048 308 K CA 0.940 57.167 56.287 -0.099 0.000 0.948 308 K CB 0.116 32.577 32.500 -0.064 0.000 0.742 308 K HN 0.115 nan 8.250 nan 0.000 0.458 309 K N 0.815 121.119 120.400 -0.160 0.000 2.410 309 K HA -0.019 4.301 4.320 -0.000 0.000 0.200 309 K C -0.505 175.773 176.600 -0.537 0.000 1.023 309 K CA 0.085 56.170 56.287 -0.338 0.000 1.149 309 K CB 0.356 32.618 32.500 -0.397 0.000 0.859 309 K HN 0.001 nan 8.250 nan 0.000 0.514 310 D N 0.290 120.519 120.400 -0.284 0.000 2.800 310 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 310 D C -1.378 174.860 176.300 -0.102 0.000 1.137 310 D CA 0.895 54.790 54.000 -0.175 0.000 0.718 310 D CB -1.446 39.272 40.800 -0.137 0.000 1.084 310 D HN 0.344 nan 8.370 nan 0.000 0.432 311 Y N -0.888 119.449 120.300 0.061 0.000 2.377 311 Y HA 0.323 4.873 4.550 -0.000 0.000 0.339 311 Y C 2.029 178.004 175.900 0.124 0.000 1.011 311 Y CA -0.943 57.194 58.100 0.062 0.000 1.093 311 Y CB 1.301 39.807 38.460 0.076 0.000 1.201 311 Y HN 0.248 nan 8.280 nan 0.000 0.455 312 C N -1.055 118.365 119.300 0.200 0.000 2.495 312 C HA 0.448 4.908 4.460 -0.000 0.000 0.275 312 C C 1.719 176.769 174.990 0.100 0.000 1.392 312 C CA 0.565 59.674 59.018 0.152 0.000 1.766 312 C CB -0.892 26.865 27.740 0.028 0.000 1.933 312 C HN 1.227 nan 8.230 nan 0.000 0.519 313 G N -0.235 108.463 108.800 -0.169 0.000 2.231 313 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.206 313 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.206 313 G C 0.042 174.613 174.900 -0.547 0.000 0.996 313 G CA 0.179 44.871 45.100 -0.680 0.000 0.645 313 G HN 0.558 nan 8.290 nan 0.000 0.498 314 T N 2.443 116.774 114.554 -0.371 0.000 2.779 314 T HA 0.617 4.967 4.350 -0.000 0.000 0.296 314 T C 0.316 174.811 174.700 -0.342 0.000 0.938 314 T CA 0.598 62.458 62.100 -0.400 0.000 1.119 314 T CB 0.757 69.448 68.868 -0.296 0.000 0.891 314 T HN 0.294 nan 8.240 nan 0.000 0.526 315 M N 4.111 123.489 119.600 -0.370 0.000 2.326 315 M HA 0.490 4.970 4.480 -0.000 0.000 0.306 315 M C -0.899 175.394 176.300 -0.012 0.000 1.054 315 M CA -0.592 54.610 55.300 -0.163 0.000 0.922 315 M CB 2.204 34.685 32.600 -0.197 0.000 1.632 315 M HN 0.404 nan 8.290 nan 0.000 0.436 316 I N 4.696 125.410 120.570 0.240 0.000 2.354 316 I HA 0.445 4.615 4.170 -0.000 0.000 0.286 316 I C -0.820 175.563 176.117 0.443 0.000 1.007 316 I CA -0.309 61.235 61.300 0.408 0.000 1.167 316 I CB 0.984 39.242 38.000 0.429 0.000 1.320 316 I HN 0.606 nan 8.210 nan 0.000 0.458 317 I N 5.353 126.139 120.570 0.360 0.000 2.382 317 I HA 0.294 4.464 4.170 -0.000 0.000 0.285 317 I C -0.337 175.958 176.117 0.296 0.000 1.007 317 I CA -0.588 60.903 61.300 0.318 0.000 1.142 317 I CB 1.122 39.248 38.000 0.209 0.000 1.289 317 I HN 0.439 nan 8.210 nan 0.000 0.453 318 D N 4.566 125.145 120.400 0.297 0.000 2.329 318 D HA 0.591 5.231 4.640 -0.000 0.000 0.246 318 D C 0.367 176.778 176.300 0.185 0.000 1.111 318 D CA 0.723 54.862 54.000 0.231 0.000 0.941 318 D CB 1.912 42.832 40.800 0.199 0.000 1.169 318 D HN 0.819 nan 8.370 nan 0.000 0.441 319 G N 1.365 110.254 108.800 0.149 0.000 2.617 319 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 319 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 319 G C 0.518 175.490 174.900 0.121 0.000 1.214 319 G CA -0.025 45.149 45.100 0.123 0.000 0.796 319 G HN 0.414 nan 8.290 nan 0.000 0.654 320 E N 0.232 120.498 120.200 0.109 0.000 2.106 320 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 320 E C 2.173 178.834 176.600 0.103 0.000 0.984 320 E CA 2.405 58.879 56.400 0.124 0.000 0.806 320 E CB -0.028 29.740 29.700 0.113 0.000 0.750 320 E HN 0.642 nan 8.360 nan 0.000 0.458 321 E N 0.548 120.800 120.200 0.085 0.000 2.150 321 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 321 E C 0.433 177.066 176.600 0.055 0.000 0.985 321 E CA 0.928 57.367 56.400 0.066 0.000 0.814 321 E CB -0.392 29.345 29.700 0.061 0.000 0.752 321 E HN 0.293 nan 8.360 nan 0.000 0.466 322 A N 2.536 125.399 122.820 0.070 0.000 2.491 322 A HA 0.155 4.475 4.320 -0.000 0.000 0.261 322 A C -1.389 176.224 177.584 0.047 0.000 1.101 322 A CA -1.111 50.962 52.037 0.059 0.000 0.772 322 A CB 0.135 19.192 19.000 0.094 0.000 1.043 322 A HN -0.004 nan 8.150 nan 0.000 0.501 323 P HA -0.050 nan 4.420 nan 0.000 0.217 323 P C 0.248 177.583 177.300 0.058 0.000 1.150 323 P CA 1.011 64.120 63.100 0.015 0.000 0.832 323 P CB 0.076 31.767 31.700 -0.015 0.000 0.787 324 V N 0.035 120.004 119.914 0.092 0.000 2.448 324 V HA 0.481 4.601 4.120 -0.000 0.000 0.295 324 V C 1.141 177.354 176.094 0.198 0.000 1.025 324 V CA -0.124 62.278 62.300 0.171 0.000 0.859 324 V CB 1.367 33.322 31.823 0.220 0.000 0.988 324 V HN -0.024 nan 8.190 nan 0.000 0.431 325 A N 4.390 127.356 122.820 0.242 0.000 2.169 325 A HA 0.323 4.643 4.320 -0.000 0.000 0.210 325 A C 0.156 177.963 177.584 0.371 0.000 1.168 325 A CA 0.571 52.771 52.037 0.271 0.000 0.813 325 A CB 0.180 19.326 19.000 0.242 0.000 0.861 325 A HN 0.772 nan 8.150 nan 0.000 0.481 326 Y N -0.120 120.302 120.300 0.203 0.000 2.442 326 Y HA 0.464 5.014 4.550 -0.000 0.000 0.330 326 Y C -0.420 175.538 175.900 0.097 0.000 1.100 326 Y CA -0.415 57.790 58.100 0.175 0.000 1.034 326 Y CB 1.494 40.101 38.460 0.245 0.000 1.285 326 Y HN 0.125 nan 8.280 nan 0.000 0.440 327 T N 3.940 118.181 114.554 -0.522 0.000 2.906 327 T HA 0.875 5.225 4.350 -0.000 0.000 0.295 327 T C -1.477 172.794 174.700 -0.714 0.000 1.075 327 T CA -0.830 60.959 62.100 -0.519 0.000 1.005 327 T CB 1.891 70.444 68.868 -0.525 0.000 1.136 327 T HN 0.609 nan 8.240 nan 0.000 0.498 328 L N 0.917 121.854 121.223 -0.476 0.000 2.393 328 L HA 0.503 4.843 4.340 -0.000 0.000 0.260 328 L C -0.647 176.039 176.870 -0.306 0.000 1.002 328 L CA -1.277 53.344 54.840 -0.365 0.000 0.818 328 L CB 2.212 44.144 42.059 -0.213 0.000 1.369 328 L HN 0.731 nan 8.230 nan 0.000 0.412 329 D N 0.876 121.132 120.400 -0.240 0.000 2.450 329 D HA -0.034 4.606 4.640 -0.000 0.000 0.247 329 D C -0.277 176.041 176.300 0.031 0.000 1.162 329 D CA 0.603 54.538 54.000 -0.108 0.000 0.879 329 D CB 1.186 42.039 40.800 0.088 0.000 1.163 329 D HN 0.510 nan 8.370 nan 0.000 0.472 330 D N 1.809 122.234 120.400 0.040 0.000 2.501 330 D HA 0.075 4.715 4.640 -0.000 0.000 0.224 330 D C -0.341 176.039 176.300 0.134 0.000 1.202 330 D CA -0.159 53.889 54.000 0.081 0.000 0.829 330 D CB 0.394 41.180 40.800 -0.022 0.000 1.023 330 D HN 0.226 nan 8.370 nan 0.000 0.499 331 T N 1.535 116.207 114.554 0.196 0.000 2.946 331 T HA 0.019 4.369 4.350 -0.000 0.000 0.311 331 T C 0.519 175.291 174.700 0.121 0.000 1.063 331 T CA -0.077 62.136 62.100 0.187 0.000 1.139 331 T CB 0.776 69.761 68.868 0.196 0.000 0.994 331 T HN -0.059 nan 8.240 nan 0.000 0.547 332 K N 3.845 124.280 120.400 0.059 0.000 2.319 332 K HA 0.076 4.396 4.320 -0.000 0.000 0.265 332 K C -1.405 175.088 176.600 -0.178 0.000 1.000 332 K CA -1.808 54.417 56.287 -0.104 0.000 0.943 332 K CB 0.213 32.685 32.500 -0.046 0.000 0.950 332 K HN 0.342 nan 8.250 nan 0.000 0.485 333 P HA -0.145 nan 4.420 nan 0.000 0.219 333 P C 0.385 177.614 177.300 -0.119 0.000 1.146 333 P CA 1.375 64.271 63.100 -0.339 0.000 0.808 333 P CB 0.338 31.724 31.700 -0.523 0.000 0.779 334 E N -1.013 119.136 120.200 -0.085 0.000 2.347 334 E HA 0.103 4.453 4.350 -0.000 0.000 0.196 334 E C 1.615 178.208 176.600 -0.012 0.000 1.008 334 E CA 1.098 57.484 56.400 -0.023 0.000 0.852 334 E CB -0.807 28.901 29.700 0.013 0.000 0.783 334 E HN 0.329 nan 8.360 nan 0.000 0.505 335 G N 0.522 109.317 108.800 -0.009 0.000 2.176 335 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.232 335 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.232 335 G C 0.104 175.001 174.900 -0.005 0.000 0.986 335 G CA 0.218 45.311 45.100 -0.012 0.000 0.643 335 G HN 0.365 nan 8.290 nan 0.000 0.522 336 N N -0.666 118.051 118.700 0.029 0.000 2.530 336 N HA 0.534 5.274 4.740 -0.000 0.000 0.283 336 N C 0.504 176.105 175.510 0.151 0.000 1.238 336 N CA -0.889 52.158 53.050 -0.004 0.000 0.971 336 N CB -0.031 38.381 38.487 -0.125 0.000 1.195 336 N HN 0.593 nan 8.380 nan 0.000 0.583 337 Y N -2.697 117.634 120.300 0.053 0.000 3.108 337 Y HA -0.170 4.380 4.550 -0.000 0.000 0.208 337 Y C 0.592 176.626 175.900 0.224 0.000 1.245 337 Y CA 0.300 58.483 58.100 0.140 0.000 1.171 337 Y CB -2.350 36.157 38.460 0.078 0.000 1.331 337 Y HN 0.751 nan 8.280 nan 0.000 0.534 338 A N 0.348 123.330 122.820 0.270 0.000 2.565 338 A HA 0.573 4.893 4.320 -0.000 0.000 0.237 338 A C 0.736 178.562 177.584 0.404 0.000 1.053 338 A CA 0.608 52.818 52.037 0.287 0.000 0.755 338 A CB 0.133 19.232 19.000 0.166 0.000 0.980 338 A HN 1.526 nan 8.150 nan 0.000 0.506 339 A N 2.348 125.410 122.820 0.404 0.000 2.605 339 A HA 0.619 4.939 4.320 -0.000 0.000 0.294 339 A C -1.043 176.545 177.584 0.007 0.000 1.062 339 A CA -0.527 51.563 52.037 0.088 0.000 0.682 339 A CB 0.954 19.683 19.000 -0.450 0.000 1.278 339 A HN 0.710 nan 8.150 nan 0.000 0.410 340 I N 2.538 123.009 120.570 -0.166 0.000 2.406 340 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 340 I C -0.208 175.758 176.117 -0.250 0.000 0.999 340 I CA -0.386 60.683 61.300 -0.386 0.000 1.124 340 I CB 1.653 39.270 38.000 -0.638 0.000 1.289 340 I HN 0.754 nan 8.210 nan 0.000 0.441 341 M N 5.652 125.101 119.600 -0.251 0.000 2.209 341 M HA 0.610 5.090 4.480 -0.000 0.000 0.355 341 M C -0.329 175.829 176.300 -0.237 0.000 1.171 341 M CA -0.153 55.029 55.300 -0.197 0.000 1.069 341 M CB 1.198 33.701 32.600 -0.161 0.000 1.622 341 M HN 0.706 nan 8.290 nan 0.000 0.459 342 G N 4.304 113.014 108.800 -0.149 0.000 2.612 342 G HA2 0.699 4.659 3.960 -0.000 0.000 0.298 342 G HA3 0.699 4.659 3.960 -0.000 0.000 0.298 342 G C -1.997 172.851 174.900 -0.086 0.000 1.336 342 G CA -0.539 44.519 45.100 -0.071 0.000 0.953 342 G HN 0.652 nan 8.290 nan 0.000 0.482 343 F N 0.543 120.639 119.950 0.243 0.000 2.458 343 F HA 0.493 5.020 4.527 0.000 0.000 0.336 343 F C 0.474 176.385 175.800 0.186 0.000 1.114 343 F CA -0.735 57.408 58.000 0.240 0.000 0.987 343 F CB 2.230 41.402 39.000 0.285 0.000 1.130 343 F HN 0.059 nan 8.300 nan 0.000 0.458 344 I N 5.316 126.095 120.570 0.350 0.000 2.304 344 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 344 I C -0.672 175.535 176.117 0.149 0.000 1.018 344 I CA -0.303 61.116 61.300 0.198 0.000 1.260 344 I CB 0.798 38.884 38.000 0.143 0.000 1.390 344 I HN 0.387 nan 8.210 nan 0.000 0.475 345 L N 6.495 127.764 121.223 0.077 0.000 2.325 345 L HA 0.708 5.048 4.340 -0.000 0.000 0.278 345 L C 0.954 177.784 176.870 -0.066 0.000 1.023 345 L CA -0.195 54.649 54.840 0.006 0.000 0.811 345 L CB 1.528 43.597 42.059 0.017 0.000 1.249 345 L HN 0.908 nan 8.230 nan 0.000 0.431 346 A N 2.095 124.871 122.820 -0.075 0.000 5.308 346 A HA -0.366 3.954 4.320 -0.000 0.000 0.321 346 A C 1.688 179.258 177.584 -0.024 0.000 1.849 346 A CA 1.534 53.534 52.037 -0.062 0.000 0.713 346 A CB -1.612 17.350 19.000 -0.063 0.000 1.360 346 A HN 1.087 nan 8.150 nan 0.000 0.384 347 H N 1.019 120.077 119.070 -0.020 0.000 2.457 347 H HA -0.028 4.528 4.556 -0.000 0.000 0.297 347 H C 1.670 177.013 175.328 0.025 0.000 1.092 347 H CA 1.835 57.889 56.048 0.009 0.000 1.309 347 H CB -0.350 29.425 29.762 0.022 0.000 1.382 347 H HN 0.734 nan 8.280 nan 0.000 0.535 348 K N 0.678 120.731 120.400 -0.578 0.000 2.217 348 K HA 0.073 4.393 4.320 -0.000 0.000 0.202 348 K C 2.574 179.112 176.600 -0.103 0.000 1.051 348 K CA 0.839 56.916 56.287 -0.349 0.000 0.952 348 K CB 0.060 32.369 32.500 -0.317 0.000 0.736 348 K HN 0.324 nan 8.250 nan 0.000 0.453 349 A N 1.499 124.286 122.820 -0.055 0.000 1.902 349 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 349 A C 2.083 179.682 177.584 0.025 0.000 1.181 349 A CA 1.362 53.409 52.037 0.017 0.000 0.623 349 A CB -0.298 18.726 19.000 0.041 0.000 0.818 349 A HN 0.114 nan 8.150 nan 0.000 0.443 350 R N -0.288 120.227 120.500 0.024 0.000 2.073 350 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 350 R C 2.340 178.663 176.300 0.039 0.000 1.134 350 R CA 1.858 57.982 56.100 0.040 0.000 0.952 350 R CB -0.294 30.042 30.300 0.060 0.000 0.850 350 R HN 0.613 nan 8.270 nan 0.000 0.433 351 K N 0.375 120.798 120.400 0.038 0.000 2.025 351 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 351 K C 1.556 178.173 176.600 0.027 0.000 1.049 351 K CA 1.279 57.591 56.287 0.042 0.000 0.933 351 K CB 0.026 32.561 32.500 0.058 0.000 0.714 351 K HN 0.152 nan 8.250 nan 0.000 0.438 352 L N 0.194 121.428 121.223 0.018 0.000 2.558 352 L HA 0.111 4.451 4.340 -0.000 0.000 0.225 352 L C 2.184 179.073 176.870 0.031 0.000 1.128 352 L CA 0.192 55.045 54.840 0.021 0.000 0.868 352 L CB -0.047 42.023 42.059 0.018 0.000 1.006 352 L HN 0.183 nan 8.230 nan 0.000 0.454 353 A N 0.553 123.393 122.820 0.033 0.000 2.070 353 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 353 A C 2.343 179.943 177.584 0.026 0.000 1.159 353 A CA 1.115 53.172 52.037 0.034 0.000 0.656 353 A CB -0.360 18.659 19.000 0.032 0.000 0.800 353 A HN 0.354 nan 8.150 nan 0.000 0.453 354 R N -0.678 119.836 120.500 0.023 0.000 2.189 354 R HA 0.071 4.411 4.340 -0.000 0.000 0.223 354 R C 0.210 176.520 176.300 0.017 0.000 1.092 354 R CA 0.267 56.379 56.100 0.019 0.000 0.989 354 R CB -0.431 29.880 30.300 0.019 0.000 0.876 354 R HN 0.452 nan 8.270 nan 0.000 0.457 355 L N 0.436 121.670 121.223 0.019 0.000 2.475 355 L HA 0.129 4.469 4.340 -0.000 0.000 0.253 355 L C 1.036 177.919 176.870 0.022 0.000 1.198 355 L CA -0.545 54.305 54.840 0.017 0.000 0.814 355 L CB 0.455 42.522 42.059 0.013 0.000 1.134 355 L HN 0.105 nan 8.230 nan 0.000 0.478 356 T N -2.964 111.601 114.554 0.019 0.000 2.849 356 T HA 0.127 4.477 4.350 -0.000 0.000 0.284 356 T C 0.863 175.590 174.700 0.044 0.000 1.004 356 T CA -0.673 61.443 62.100 0.027 0.000 1.021 356 T CB 1.288 70.167 68.868 0.018 0.000 1.013 356 T HN 0.661 nan 8.240 nan 0.000 0.527 357 K N 0.326 120.768 120.400 0.069 0.000 2.074 357 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 357 K C 1.947 178.602 176.600 0.090 0.000 1.048 357 K CA 1.908 58.279 56.287 0.141 0.000 0.926 357 K CB -0.200 32.392 32.500 0.152 0.000 0.713 357 K HN 0.694 nan 8.250 nan 0.000 0.444 358 E N 0.657 120.877 120.200 0.033 0.000 2.106 358 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 358 E C 1.786 178.347 176.600 -0.065 0.000 0.984 358 E CA 1.377 57.762 56.400 -0.025 0.000 0.806 358 E CB 0.045 29.741 29.700 -0.008 0.000 0.750 358 E HN 0.398 nan 8.360 nan 0.000 0.458 359 E N 0.151 120.330 120.200 -0.036 0.000 2.106 359 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 359 E C 2.125 178.682 176.600 -0.071 0.000 0.984 359 E CA 0.658 57.031 56.400 -0.044 0.000 0.806 359 E CB 0.000 29.689 29.700 -0.019 0.000 0.750 359 E HN 0.118 nan 8.360 nan 0.000 0.458 360 R N 0.291 120.755 120.500 -0.060 0.000 2.075 360 R HA -0.126 4.213 4.340 -0.000 0.000 0.232 360 R C 2.465 178.622 176.300 -0.239 0.000 1.126 360 R CA 0.775 56.828 56.100 -0.078 0.000 0.963 360 R CB -0.339 29.983 30.300 0.037 0.000 0.858 360 R HN 0.119 nan 8.270 nan 0.000 0.435 361 L N 1.798 122.765 121.223 -0.428 0.000 2.012 361 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 361 L C 2.185 178.843 176.870 -0.354 0.000 1.073 361 L CA 1.916 56.350 54.840 -0.676 0.000 0.748 361 L CB -0.457 41.153 42.059 -0.747 0.000 0.891 361 L HN 0.002 nan 8.230 nan 0.000 0.431 362 K N -0.585 119.682 120.400 -0.222 0.000 2.032 362 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 362 K C 2.192 178.704 176.600 -0.146 0.000 1.048 362 K CA 1.734 57.935 56.287 -0.143 0.000 0.927 362 K CB -0.092 32.353 32.500 -0.091 0.000 0.712 362 K HN 0.328 nan 8.250 nan 0.000 0.441 363 K N 0.136 120.446 120.400 -0.150 0.000 2.057 363 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 363 K C 2.082 178.546 176.600 -0.228 0.000 1.049 363 K CA 1.175 57.377 56.287 -0.142 0.000 0.931 363 K CB -0.103 32.335 32.500 -0.103 0.000 0.714 363 K HN 0.051 nan 8.250 nan 0.000 0.440 364 L N 0.766 121.797 121.223 -0.320 0.000 2.027 364 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 364 L C 2.451 178.888 176.870 -0.720 0.000 1.074 364 L CA 1.511 55.993 54.840 -0.596 0.000 0.745 364 L CB -0.726 41.022 42.059 -0.519 0.000 0.898 364 L HN 0.230 nan 8.230 nan 0.000 0.433 365 C N -0.707 118.388 119.300 -0.340 0.000 2.429 365 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 365 C C 2.641 177.599 174.990 -0.054 0.000 1.262 365 C CA 0.538 59.502 59.018 -0.089 0.000 1.733 365 C CB -0.747 26.997 27.740 0.005 0.000 2.010 365 C HN 0.548 nan 8.230 nan 0.000 0.483 366 E N 0.313 120.453 120.200 -0.099 0.000 2.106 366 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 366 E C 1.997 178.561 176.600 -0.060 0.000 0.984 366 E CA 0.913 57.280 56.400 -0.055 0.000 0.806 366 E CB -0.262 29.406 29.700 -0.053 0.000 0.750 366 E HN 0.529 nan 8.360 nan 0.000 0.458 367 L N 0.328 121.467 121.223 -0.139 0.000 2.017 367 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 367 L C 2.011 178.886 176.870 0.008 0.000 1.073 367 L CA 1.713 56.485 54.840 -0.114 0.000 0.745 367 L CB -0.544 41.408 42.059 -0.179 0.000 0.894 367 L HN 0.187 nan 8.230 nan 0.000 0.432 368 Y N -0.784 119.502 120.300 -0.023 0.000 2.274 368 Y HA -0.202 4.348 4.550 -0.000 0.000 0.290 368 Y C 2.528 178.440 175.900 0.021 0.000 1.145 368 Y CA 0.224 58.316 58.100 -0.014 0.000 1.203 368 Y CB -0.476 38.014 38.460 0.050 0.000 0.984 368 Y HN 0.386 nan 8.280 nan 0.000 0.533 369 A N 0.635 123.564 122.820 0.182 0.000 1.902 369 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 369 A C 2.135 179.767 177.584 0.079 0.000 1.181 369 A CA 1.667 53.775 52.037 0.118 0.000 0.623 369 A CB -0.479 18.561 19.000 0.067 0.000 0.818 369 A HN 0.343 nan 8.150 nan 0.000 0.443 370 K N -0.583 119.840 120.400 0.038 0.000 2.002 370 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 370 K C 1.934 178.528 176.600 -0.010 0.000 1.048 370 K CA 1.614 57.910 56.287 0.015 0.000 0.930 370 K CB -0.327 32.159 32.500 -0.023 0.000 0.714 370 K HN 0.316 nan 8.250 nan 0.000 0.438 371 V N 1.508 121.358 119.914 -0.107 0.000 2.379 371 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 371 V C 2.042 178.092 176.094 -0.074 0.000 1.044 371 V CA 1.428 63.621 62.300 -0.177 0.000 1.036 371 V CB -0.291 31.375 31.823 -0.262 0.000 0.664 371 V HN 0.267 nan 8.190 nan 0.000 0.453 372 L N 0.480 121.699 121.223 -0.007 0.000 2.492 372 L HA 0.285 4.625 4.340 -0.000 0.000 0.223 372 L C 1.623 178.634 176.870 0.236 0.000 1.132 372 L CA 0.748 55.632 54.840 0.075 0.000 0.850 372 L CB -0.692 41.492 42.059 0.209 0.000 0.966 372 L HN 0.536 nan 8.230 nan 0.000 0.454 373 G N 0.772 109.667 108.800 0.157 0.000 2.338 373 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.296 373 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.296 373 G C -0.068 174.922 174.900 0.150 0.000 1.040 373 G CA 0.449 45.639 45.100 0.149 0.000 1.004 373 G HN 0.325 nan 8.290 nan 0.000 0.509 374 S N -0.862 114.919 115.700 0.134 0.000 2.677 374 S HA 0.440 4.910 4.470 -0.000 0.000 0.283 374 S C 1.120 175.696 174.600 -0.040 0.000 1.159 374 S CA -0.769 57.472 58.200 0.069 0.000 1.001 374 S CB 1.650 64.962 63.200 0.187 0.000 1.032 374 S HN 0.264 nan 8.310 nan 0.000 0.487 375 L N 2.031 123.206 121.223 -0.080 0.000 2.362 375 L HA -0.060 4.280 4.340 -0.000 0.000 0.219 375 L C 2.039 178.796 176.870 -0.190 0.000 1.134 375 L CA 1.105 55.889 54.840 -0.092 0.000 0.807 375 L CB -0.322 41.699 42.059 -0.063 0.000 0.927 375 L HN 0.695 nan 8.230 nan 0.000 0.447 376 E N 0.512 120.464 120.200 -0.414 0.000 2.268 376 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 376 E C 2.249 178.445 176.600 -0.674 0.000 0.995 376 E CA 0.911 56.898 56.400 -0.688 0.000 0.836 376 E CB -0.104 28.845 29.700 -1.251 0.000 0.763 376 E HN 0.503 nan 8.360 nan 0.000 0.491 377 A N 0.855 123.387 122.820 -0.480 0.000 2.121 377 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 377 A C 1.901 179.650 177.584 0.274 0.000 1.154 377 A CA 0.722 52.778 52.037 0.031 0.000 0.679 377 A CB -0.323 18.839 19.000 0.270 0.000 0.795 377 A HN 0.165 nan 8.150 nan 0.000 0.458 378 L N -0.348 120.939 121.223 0.107 0.000 2.591 378 L HA 0.093 4.433 4.340 -0.000 0.000 0.228 378 L C 0.115 177.061 176.870 0.126 0.000 1.133 378 L CA 0.109 55.012 54.840 0.105 0.000 0.880 378 L CB 0.017 42.097 42.059 0.034 0.000 1.033 378 L HN 0.196 nan 8.230 nan 0.000 0.450 379 E N 1.052 121.376 120.200 0.207 0.000 3.588 379 E HA 0.274 4.624 4.350 -0.000 0.000 0.213 379 E C -2.317 174.452 176.600 0.282 0.000 1.168 379 E CA -1.650 54.861 56.400 0.185 0.000 1.254 379 E CB 0.410 30.175 29.700 0.109 0.000 1.302 379 E HN 0.112 nan 8.360 nan 0.000 0.429 380 P HA 0.020 nan 4.420 nan 0.000 0.271 380 P C 1.100 178.437 177.300 0.061 0.000 1.218 380 P CA -0.139 62.943 63.100 -0.032 0.000 0.780 380 P CB 1.479 33.114 31.700 -0.108 0.000 0.901 381 V N -1.670 118.297 119.914 0.088 0.000 3.565 381 V HA 0.307 4.427 4.120 -0.000 0.000 0.260 381 V C 0.472 176.695 176.094 0.216 0.000 1.231 381 V CA 0.810 63.196 62.300 0.144 0.000 1.100 381 V CB -1.157 30.754 31.823 0.148 0.000 0.807 381 V HN 0.669 nan 8.190 nan 0.000 0.454 382 H N -1.189 117.949 119.070 0.114 0.000 2.987 382 H HA 0.619 5.175 4.556 -0.000 0.000 0.316 382 H C -2.303 173.231 175.328 0.344 0.000 1.380 382 H CA -0.713 55.417 56.048 0.136 0.000 1.160 382 H CB 1.928 31.662 29.762 -0.047 0.000 1.865 382 H HN 0.152 nan 8.280 nan 0.000 0.521 383 Y N 1.603 121.631 120.300 -0.454 0.000 2.441 383 Y HA 0.490 5.040 4.550 -0.000 0.000 0.334 383 Y C -1.714 174.064 175.900 -0.202 0.000 1.061 383 Y CA -0.639 57.380 58.100 -0.136 0.000 1.032 383 Y CB 1.669 40.064 38.460 -0.109 0.000 1.266 383 Y HN 0.620 nan 8.280 nan 0.000 0.441 384 E N 4.477 124.429 120.200 -0.413 0.000 2.317 384 E HA 0.440 4.790 4.350 -0.000 0.000 0.270 384 E C -1.443 174.800 176.600 -0.595 0.000 0.885 384 E CA -0.809 55.353 56.400 -0.397 0.000 0.760 384 E CB 2.779 32.481 29.700 0.004 0.000 1.227 384 E HN 0.772 nan 8.360 nan 0.000 0.434 385 E N 0.395 120.351 120.200 -0.408 0.000 2.412 385 E HA 0.650 5.000 4.350 -0.000 0.000 0.279 385 E C -1.225 175.331 176.600 -0.073 0.000 0.984 385 E CA -1.059 55.203 56.400 -0.230 0.000 0.788 385 E CB 2.562 32.104 29.700 -0.263 0.000 1.277 385 E HN 0.171 nan 8.360 nan 0.000 0.455 386 K N 1.392 121.800 120.400 0.014 0.000 2.565 386 K HA 0.284 4.604 4.320 -0.000 0.000 0.249 386 K C -1.562 175.014 176.600 -0.040 0.000 0.958 386 K CA -0.759 55.478 56.287 -0.084 0.000 0.806 386 K CB 1.462 33.874 32.500 -0.146 0.000 1.194 386 K HN 0.515 nan 8.250 nan 0.000 0.434 387 N N 4.021 122.656 118.700 -0.108 0.000 2.437 387 N HA 0.107 4.847 4.740 -0.000 0.000 0.243 387 N C -0.288 175.169 175.510 -0.088 0.000 1.041 387 N CA -0.374 52.672 53.050 -0.008 0.000 0.940 387 N CB 0.343 38.832 38.487 0.004 0.000 1.133 387 N HN 0.643 nan 8.380 nan 0.000 0.506 388 W N 2.165 123.508 121.300 0.073 0.000 2.800 388 W HA 0.072 4.732 4.660 -0.000 0.000 0.249 388 W C 1.911 178.451 176.519 0.035 0.000 1.294 388 W CA -0.110 57.273 57.345 0.062 0.000 1.402 388 W CB -0.109 29.405 29.460 0.091 0.000 1.126 388 W HN 0.588 nan 8.180 nan 0.000 0.652 389 C N 0.427 119.837 119.300 0.184 0.000 2.432 389 C HA -0.152 4.308 4.460 -0.000 0.000 0.282 389 C C 2.334 177.354 174.990 0.050 0.000 1.388 389 C CA 1.375 60.457 59.018 0.106 0.000 1.777 389 C CB -1.480 26.305 27.740 0.075 0.000 1.882 389 C HN 0.495 nan 8.230 nan 0.000 0.520 390 E N 0.831 121.039 120.200 0.014 0.000 2.489 390 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 390 E C -0.089 176.485 176.600 -0.043 0.000 1.057 390 E CA 0.368 56.751 56.400 -0.028 0.000 0.866 390 E CB -0.167 29.501 29.700 -0.053 0.000 0.916 390 E HN 0.496 nan 8.360 nan 0.000 0.500 391 E N 2.197 122.391 120.200 -0.010 0.000 2.129 391 E HA -0.017 4.333 4.350 -0.000 0.000 0.283 391 E C 0.479 177.065 176.600 -0.024 0.000 1.080 391 E CA -0.003 56.395 56.400 -0.003 0.000 0.867 391 E CB 1.509 31.267 29.700 0.096 0.000 1.056 391 E HN 0.357 nan 8.360 nan 0.000 0.404 392 Q N 2.978 122.699 119.800 -0.132 0.000 2.135 392 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 392 Q C 0.368 176.136 176.000 -0.387 0.000 0.981 392 Q CA 1.668 57.274 55.803 -0.328 0.000 0.856 392 Q CB 0.080 28.486 28.738 -0.554 0.000 0.902 392 Q HN 0.602 nan 8.270 nan 0.000 0.425 393 Y N -0.990 119.342 120.300 0.054 0.000 2.524 393 Y HA 0.256 4.806 4.550 -0.000 0.000 0.266 393 Y C 1.498 177.460 175.900 0.104 0.000 1.180 393 Y CA -0.300 57.840 58.100 0.068 0.000 1.244 393 Y CB 0.890 39.384 38.460 0.056 0.000 1.125 393 Y HN 0.074 nan 8.280 nan 0.000 0.524 394 S N -1.606 114.219 115.700 0.209 0.000 2.931 394 S HA 0.286 4.756 4.470 -0.000 0.000 0.251 394 S C 1.836 176.518 174.600 0.137 0.000 1.078 394 S CA 0.574 58.903 58.200 0.216 0.000 0.835 394 S CB 0.550 63.962 63.200 0.353 0.000 0.798 394 S HN 0.529 nan 8.310 nan 0.000 0.495 395 G N 1.035 109.897 108.800 0.103 0.000 2.225 395 G HA2 0.076 4.036 3.960 -0.000 0.000 0.254 395 G HA3 0.076 4.036 3.960 -0.000 0.000 0.254 395 G C 0.509 175.452 174.900 0.072 0.000 0.988 395 G CA 0.116 45.246 45.100 0.051 0.000 0.625 395 G HN 1.385 nan 8.290 nan 0.000 0.527 396 G N -2.368 106.515 108.800 0.139 0.000 2.350 396 G HA2 0.512 4.472 3.960 -0.000 0.000 0.282 396 G HA3 0.512 4.472 3.960 -0.000 0.000 0.282 396 G C -0.951 174.030 174.900 0.135 0.000 1.314 396 G CA 0.299 45.488 45.100 0.148 0.000 0.915 396 G HN 1.492 nan 8.290 nan 0.000 0.499 397 C N -1.638 117.693 119.300 0.052 0.000 3.311 397 C HA 0.601 5.061 4.460 -0.000 0.000 0.325 397 C C 0.762 175.619 174.990 -0.221 0.000 1.352 397 C CA -0.636 58.345 59.018 -0.063 0.000 1.308 397 C CB 0.781 28.393 27.740 -0.214 0.000 1.619 397 C HN 0.731 nan 8.230 nan 0.000 0.469 398 Y N 0.581 120.812 120.300 -0.115 0.000 2.337 398 Y HA 0.233 4.783 4.550 -0.000 0.000 0.293 398 Y C 1.568 177.433 175.900 -0.059 0.000 1.123 398 Y CA 1.122 59.125 58.100 -0.161 0.000 1.201 398 Y CB -0.432 37.906 38.460 -0.203 0.000 1.011 398 Y HN 0.678 nan 8.280 nan 0.000 0.545 399 T N -1.863 112.769 114.554 0.131 0.000 2.671 399 T HA 0.343 4.693 4.350 -0.000 0.000 0.300 399 T C -0.780 174.017 174.700 0.161 0.000 1.238 399 T CA -0.701 61.515 62.100 0.193 0.000 1.020 399 T CB 1.059 70.132 68.868 0.341 0.000 1.503 399 T HN -0.149 nan 8.240 nan 0.000 0.497 400 T N 2.647 117.310 114.554 0.182 0.000 2.851 400 T HA 0.463 4.813 4.350 -0.000 0.000 0.298 400 T C -0.786 173.929 174.700 0.026 0.000 0.977 400 T CA 0.094 62.208 62.100 0.023 0.000 1.126 400 T CB -0.408 68.469 68.868 0.014 0.000 0.916 400 T HN 0.466 nan 8.240 nan 0.000 0.529 401 Y N 0.970 121.052 120.300 -0.362 0.000 2.528 401 Y HA 0.790 5.340 4.550 -0.000 0.000 0.335 401 Y C -1.256 174.080 175.900 -0.941 0.000 1.093 401 Y CA -2.239 55.294 58.100 -0.945 0.000 1.134 401 Y CB 0.783 38.828 38.460 -0.692 0.000 1.253 401 Y HN 0.404 nan 8.280 nan 0.000 0.478 402 F N 3.159 122.359 119.950 -1.251 0.000 2.402 402 F HA 0.564 5.091 4.527 -0.000 0.000 0.355 402 F C -2.309 173.391 175.800 -0.166 0.000 1.123 402 F CA -2.714 54.919 58.000 -0.613 0.000 1.021 402 F CB 1.502 40.186 39.000 -0.526 0.000 1.160 402 F HN 0.359 nan 8.300 nan 0.000 0.451 403 P HA 0.098 nan 4.420 nan 0.000 0.273 403 P C -2.535 174.863 177.300 0.163 0.000 1.250 403 P CA -1.099 62.080 63.100 0.132 0.000 0.793 403 P CB -0.152 31.574 31.700 0.044 0.000 1.011 404 P HA -0.037 nan 4.420 nan 0.000 0.264 404 P C 0.877 178.268 177.300 0.151 0.000 1.193 404 P CA 1.237 64.436 63.100 0.166 0.000 0.763 404 P CB -0.058 31.722 31.700 0.133 0.000 0.810 405 G N 2.959 111.863 108.800 0.173 0.000 2.217 405 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.246 405 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.246 405 G C 0.795 175.812 174.900 0.194 0.000 0.990 405 G CA 0.071 45.265 45.100 0.156 0.000 0.627 405 G HN 0.437 nan 8.290 nan 0.000 0.522 406 I N 0.092 120.809 120.570 0.244 0.000 2.400 406 I HA 0.158 4.327 4.170 -0.000 0.000 0.248 406 I C 2.617 178.978 176.117 0.408 0.000 1.109 406 I CA 1.217 62.719 61.300 0.337 0.000 1.425 406 I CB -1.139 36.986 38.000 0.210 0.000 1.094 406 I HN 0.271 nan 8.210 nan 0.000 0.425 407 L N 1.209 122.649 121.223 0.362 0.000 2.046 407 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 407 L C 2.627 179.574 176.870 0.128 0.000 1.077 407 L CA 2.492 57.422 54.840 0.149 0.000 0.747 407 L CB -0.961 41.092 42.059 -0.011 0.000 0.896 407 L HN 0.416 nan 8.230 nan 0.000 0.432 408 T N -4.256 110.382 114.554 0.141 0.000 2.857 408 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 408 T C 1.799 176.464 174.700 -0.058 0.000 1.048 408 T CA 0.886 63.040 62.100 0.091 0.000 1.139 408 T CB -0.318 68.608 68.868 0.096 0.000 0.874 408 T HN 0.342 nan 8.240 nan 0.000 0.455 409 Q N -0.079 119.685 119.800 -0.059 0.000 2.212 409 Q HA 0.113 4.453 4.340 -0.000 0.000 0.199 409 Q C 1.052 176.740 176.000 -0.521 0.000 0.950 409 Q CA 1.166 56.791 55.803 -0.297 0.000 0.863 409 Q CB 0.003 28.551 28.738 -0.317 0.000 0.944 409 Q HN 0.773 nan 8.270 nan 0.000 0.465 410 Y N -1.779 118.455 120.300 -0.110 0.000 2.499 410 Y HA 0.266 4.816 4.550 -0.000 0.000 0.253 410 Y C 1.999 177.781 175.900 -0.196 0.000 1.105 410 Y CA 0.069 58.089 58.100 -0.134 0.000 1.240 410 Y CB 0.260 38.685 38.460 -0.058 0.000 1.289 410 Y HN 0.080 nan 8.280 nan 0.000 0.534 411 G N 0.772 109.485 108.800 -0.146 0.000 2.442 411 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 411 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 411 G C 1.655 176.105 174.900 -0.750 0.000 1.141 411 G CA 0.820 45.737 45.100 -0.305 0.000 0.763 411 G HN 0.283 nan 8.290 nan 0.000 0.554 412 R N -0.334 119.424 120.500 -1.236 0.000 2.170 412 R HA -0.058 4.282 4.340 -0.000 0.000 0.242 412 R C 2.503 178.576 176.300 -0.379 0.000 1.145 412 R CA 1.118 56.616 56.100 -1.003 0.000 0.984 412 R CB -0.281 29.535 30.300 -0.807 0.000 0.869 412 R HN 0.368 nan 8.270 nan 0.000 0.455 413 V N 0.920 120.666 119.914 -0.279 0.000 2.871 413 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 413 V C 2.223 178.218 176.094 -0.165 0.000 1.082 413 V CA 1.059 63.256 62.300 -0.172 0.000 1.105 413 V CB -0.436 31.313 31.823 -0.122 0.000 0.713 413 V HN 0.318 nan 8.190 nan 0.000 0.473 414 L N 0.951 122.114 121.223 -0.100 0.000 1.997 414 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 414 L C 2.465 179.284 176.870 -0.085 0.000 1.074 414 L CA 2.333 57.139 54.840 -0.057 0.000 0.763 414 L CB -0.221 41.902 42.059 0.106 0.000 0.890 414 L HN 0.476 nan 8.230 nan 0.000 0.434 415 R N -0.730 119.810 120.500 0.067 0.000 2.577 415 R HA 0.149 4.489 4.340 -0.000 0.000 0.344 415 R C 0.452 176.893 176.300 0.234 0.000 1.037 415 R CA -0.238 55.983 56.100 0.203 0.000 1.102 415 R CB -0.032 30.450 30.300 0.304 0.000 1.313 415 R HN 0.227 nan 8.270 nan 0.000 0.561 416 Q N 2.681 122.543 119.800 0.103 0.000 2.286 416 Q HA 0.206 4.546 4.340 -0.000 0.000 0.267 416 Q C -2.107 174.002 176.000 0.182 0.000 1.028 416 Q CA -2.081 53.785 55.803 0.105 0.000 0.901 416 Q CB 0.894 29.639 28.738 0.011 0.000 1.183 416 Q HN 0.047 nan 8.270 nan 0.000 0.392 417 P HA -0.047 nan 4.420 nan 0.000 0.267 417 P C -1.269 176.024 177.300 -0.012 0.000 1.200 417 P CA -0.043 62.999 63.100 -0.098 0.000 0.772 417 P CB 0.654 32.034 31.700 -0.534 0.000 0.855 418 V N 3.427 123.343 119.914 0.004 0.000 2.275 418 V HA 0.148 4.268 4.120 -0.000 0.000 0.272 418 V C 0.707 176.761 176.094 -0.067 0.000 1.028 418 V CA 0.097 62.400 62.300 0.004 0.000 0.810 418 V CB 0.098 31.964 31.823 0.073 0.000 1.043 418 V HN 0.773 nan 8.190 nan 0.000 0.453 419 D N 4.107 124.471 120.400 -0.059 0.000 4.372 419 D HA -0.307 4.333 4.640 -0.000 0.000 0.169 419 D C 1.356 177.637 176.300 -0.033 0.000 0.680 419 D CA 2.420 56.402 54.000 -0.029 0.000 1.152 419 D CB -0.245 40.551 40.800 -0.006 0.000 0.585 419 D HN 0.580 nan 8.370 nan 0.000 0.493 420 R N -0.125 120.383 120.500 0.013 0.000 2.468 420 R HA 0.445 4.785 4.340 -0.000 0.000 0.280 420 R C -0.188 176.208 176.300 0.160 0.000 0.963 420 R CA -0.154 56.049 56.100 0.172 0.000 1.083 420 R CB 0.432 30.780 30.300 0.080 0.000 1.200 420 R HN 0.289 nan 8.270 nan 0.000 0.541 421 I N 1.160 121.671 120.570 -0.098 0.000 2.331 421 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 421 I C -0.576 175.197 176.117 -0.572 0.000 0.998 421 I CA -0.662 60.501 61.300 -0.229 0.000 1.267 421 I CB 0.683 38.520 38.000 -0.271 0.000 1.386 421 I HN -0.086 nan 8.210 nan 0.000 0.476 422 Y N 5.232 125.296 120.300 -0.394 0.000 2.528 422 Y HA 0.551 5.101 4.550 -0.000 0.000 0.335 422 Y C -0.541 175.039 175.900 -0.533 0.000 1.093 422 Y CA -0.719 57.182 58.100 -0.331 0.000 1.134 422 Y CB 1.570 39.955 38.460 -0.125 0.000 1.253 422 Y HN 0.282 nan 8.280 nan 0.000 0.478 423 F N 1.226 121.284 119.950 0.181 0.000 2.449 423 F HA 0.718 5.245 4.527 -0.000 0.000 0.342 423 F C 0.396 176.273 175.800 0.129 0.000 1.127 423 F CA -0.554 57.525 58.000 0.132 0.000 0.975 423 F CB 1.187 40.249 39.000 0.103 0.000 1.146 423 F HN 0.601 nan 8.300 nan 0.000 0.444 424 A N 2.241 125.212 122.820 0.251 0.000 3.521 424 A HA 0.963 5.283 4.320 -0.000 0.000 0.181 424 A C 0.330 178.044 177.584 0.217 0.000 1.386 424 A CA -0.438 51.713 52.037 0.189 0.000 0.873 424 A CB 0.050 19.118 19.000 0.113 0.000 1.634 424 A HN 1.508 nan 8.150 nan 0.000 0.551 425 G N -2.455 106.451 108.800 0.177 0.000 2.721 425 G HA2 0.090 4.050 3.960 -0.000 0.000 0.686 425 G HA3 0.090 4.050 3.960 -0.000 0.000 0.686 425 G C 0.438 175.466 174.900 0.215 0.000 1.236 425 G CA 0.622 45.834 45.100 0.187 0.000 0.786 425 G HN 1.565 nan 8.290 nan 0.000 0.616 426 T N 0.120 114.803 114.554 0.215 0.000 2.849 426 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 426 T C 2.095 176.994 174.700 0.332 0.000 1.066 426 T CA 2.648 64.902 62.100 0.257 0.000 1.130 426 T CB -0.176 68.840 68.868 0.246 0.000 0.864 426 T HN 0.617 nan 8.240 nan 0.000 0.481 427 E N 0.491 120.892 120.200 0.334 0.000 2.265 427 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 427 E C 2.205 179.055 176.600 0.416 0.000 0.996 427 E CA 1.510 58.156 56.400 0.411 0.000 0.832 427 E CB -0.166 29.739 29.700 0.342 0.000 0.756 427 E HN 0.703 nan 8.360 nan 0.000 0.491 428 T N -2.571 112.192 114.554 0.350 0.000 3.107 428 T HA 0.453 4.803 4.350 -0.000 0.000 0.249 428 T C 0.777 175.709 174.700 0.387 0.000 1.096 428 T CA 0.003 62.310 62.100 0.346 0.000 1.012 428 T CB 0.210 69.260 68.868 0.303 0.000 0.977 428 T HN 0.093 nan 8.240 nan 0.000 0.527 429 A N 1.702 124.758 122.820 0.393 0.000 2.313 429 A HA 0.556 4.876 4.320 -0.000 0.000 0.261 429 A C 1.486 179.339 177.584 0.450 0.000 1.090 429 A CA 0.071 52.343 52.037 0.392 0.000 0.807 429 A CB 0.394 19.588 19.000 0.322 0.000 1.055 429 A HN 0.496 nan 8.150 nan 0.000 0.492 430 T N -2.565 112.233 114.554 0.406 0.000 3.010 430 T HA 0.245 4.595 4.350 -0.000 0.000 0.257 430 T C 0.232 175.046 174.700 0.189 0.000 1.020 430 T CA 0.644 62.941 62.100 0.328 0.000 0.938 430 T CB -0.379 68.624 68.868 0.225 0.000 1.049 430 T HN 0.752 nan 8.240 nan 0.000 0.522 431 H N -1.050 118.054 119.070 0.056 0.000 2.934 431 H HA 0.276 4.832 4.556 -0.000 0.000 0.340 431 H C -0.998 174.354 175.328 0.041 0.000 1.008 431 H CA -1.138 54.866 56.048 -0.074 0.000 1.317 431 H CB 0.922 30.698 29.762 0.023 0.000 1.670 431 H HN 0.298 nan 8.280 nan 0.000 0.516 432 W N 2.195 123.263 121.300 -0.387 0.000 5.538 432 W HA -0.249 4.411 4.660 0.000 0.000 0.377 432 W C 0.482 176.945 176.519 -0.094 0.000 1.406 432 W CA 0.935 58.009 57.345 -0.452 0.000 0.940 432 W CB -1.691 27.409 29.460 -0.600 0.000 2.536 432 W HN 0.393 nan 8.180 nan 0.000 1.504 433 S N 0.518 116.268 115.700 0.083 0.000 2.558 433 S HA 0.373 4.843 4.470 -0.000 0.000 0.293 433 S C 1.400 176.229 174.600 0.383 0.000 1.292 433 S CA 1.740 60.104 58.200 0.273 0.000 1.063 433 S CB 0.738 64.172 63.200 0.391 0.000 0.831 433 S HN 1.408 nan 8.310 nan 0.000 0.499 434 G N 3.141 112.231 108.800 0.485 0.000 2.232 434 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.226 434 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.226 434 G C -0.211 174.834 174.900 0.243 0.000 0.996 434 G CA 0.217 45.609 45.100 0.487 0.000 0.626 434 G HN 0.679 nan 8.290 nan 0.000 0.509 435 Y N -0.462 119.959 120.300 0.202 0.000 2.650 435 Y HA 0.718 5.268 4.550 -0.000 0.000 0.331 435 Y C 1.977 177.924 175.900 0.078 0.000 1.082 435 Y CA -0.774 57.395 58.100 0.116 0.000 1.171 435 Y CB 0.815 39.331 38.460 0.094 0.000 1.326 435 Y HN -0.029 nan 8.280 nan 0.000 0.513 436 M N -0.172 119.545 119.600 0.194 0.000 2.149 436 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 436 M C 1.823 178.187 176.300 0.107 0.000 1.064 436 M CA 1.938 57.313 55.300 0.125 0.000 1.102 436 M CB -0.247 32.419 32.600 0.109 0.000 1.369 436 M HN 0.778 nan 8.290 nan 0.000 0.408 437 E N 0.820 121.060 120.200 0.066 0.000 2.070 437 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 437 E C 1.968 178.628 176.600 0.101 0.000 1.004 437 E CA 2.108 58.510 56.400 0.003 0.000 0.805 437 E CB -0.695 28.873 29.700 -0.220 0.000 0.744 437 E HN 0.428 nan 8.360 nan 0.000 0.451 438 G N 0.035 108.946 108.800 0.185 0.000 2.432 438 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 438 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 438 G C 1.709 176.724 174.900 0.193 0.000 1.135 438 G CA 1.123 46.356 45.100 0.221 0.000 0.767 438 G HN 0.479 nan 8.290 nan 0.000 0.550 439 A N 0.255 123.177 122.820 0.169 0.000 1.883 439 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 439 A C 2.617 180.263 177.584 0.104 0.000 1.186 439 A CA 1.969 54.088 52.037 0.137 0.000 0.624 439 A CB -0.655 18.415 19.000 0.117 0.000 0.822 439 A HN 0.271 nan 8.150 nan 0.000 0.444 440 V N 0.062 120.029 119.914 0.088 0.000 2.307 440 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 440 V C 2.531 178.665 176.094 0.066 0.000 1.045 440 V CA 2.191 64.528 62.300 0.062 0.000 1.024 440 V CB -0.812 31.040 31.823 0.048 0.000 0.651 440 V HN 0.738 nan 8.190 nan 0.000 0.449 441 E N 0.500 120.758 120.200 0.097 0.000 2.070 441 E HA -0.290 4.060 4.350 -0.000 0.000 0.197 441 E C 2.218 178.860 176.600 0.070 0.000 1.004 441 E CA 1.833 58.299 56.400 0.110 0.000 0.805 441 E CB -0.187 29.626 29.700 0.188 0.000 0.744 441 E HN 0.553 nan 8.360 nan 0.000 0.451 442 A N 0.536 123.418 122.820 0.103 0.000 1.929 442 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 442 A C 2.384 179.989 177.584 0.035 0.000 1.176 442 A CA 1.572 53.660 52.037 0.085 0.000 0.628 442 A CB -0.890 18.207 19.000 0.162 0.000 0.816 442 A HN 0.444 nan 8.150 nan 0.000 0.444 443 G N -0.334 108.492 108.800 0.042 0.000 2.404 443 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 443 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 443 G C 1.433 176.319 174.900 -0.023 0.000 1.174 443 G CA 0.933 46.045 45.100 0.020 0.000 0.780 443 G HN 0.636 nan 8.290 nan 0.000 0.537 444 E N -0.199 119.983 120.200 -0.029 0.000 2.106 444 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 444 E C 2.522 179.049 176.600 -0.122 0.000 0.984 444 E CA 0.278 56.644 56.400 -0.057 0.000 0.806 444 E CB -0.102 29.579 29.700 -0.031 0.000 0.750 444 E HN 0.291 nan 8.360 nan 0.000 0.458 445 R N 1.087 121.481 120.500 -0.177 0.000 2.075 445 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 445 R C 2.207 178.332 176.300 -0.291 0.000 1.126 445 R CA 1.337 57.221 56.100 -0.359 0.000 0.963 445 R CB -0.223 29.718 30.300 -0.600 0.000 0.858 445 R HN 0.130 nan 8.270 nan 0.000 0.435 446 A N 0.967 123.688 122.820 -0.164 0.000 1.902 446 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 446 A C 2.406 179.880 177.584 -0.183 0.000 1.181 446 A CA 1.768 53.745 52.037 -0.101 0.000 0.623 446 A CB -0.746 18.256 19.000 0.003 0.000 0.818 446 A HN 0.538 nan 8.150 nan 0.000 0.443 447 A N -0.220 122.509 122.820 -0.151 0.000 1.908 447 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 447 A C 2.256 179.714 177.584 -0.209 0.000 1.181 447 A CA 1.658 53.597 52.037 -0.163 0.000 0.627 447 A CB -0.488 18.452 19.000 -0.100 0.000 0.818 447 A HN 0.549 nan 8.150 nan 0.000 0.445 448 R N -0.567 119.817 120.500 -0.193 0.000 2.115 448 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 448 R C 2.056 178.233 176.300 -0.204 0.000 1.111 448 R CA 1.246 57.239 56.100 -0.178 0.000 0.976 448 R CB -0.252 29.951 30.300 -0.162 0.000 0.870 448 R HN 0.685 nan 8.270 nan 0.000 0.445 449 E N 0.597 120.633 120.200 -0.272 0.000 2.085 449 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 449 E C 1.948 178.232 176.600 -0.527 0.000 0.994 449 E CA 1.134 57.358 56.400 -0.293 0.000 0.801 449 E CB -0.073 29.479 29.700 -0.247 0.000 0.743 449 E HN 0.334 nan 8.360 nan 0.000 0.453 450 I N 0.896 121.026 120.570 -0.733 0.000 2.252 450 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 450 I C 2.306 178.104 176.117 -0.533 0.000 1.102 450 I CA 0.810 61.583 61.300 -0.878 0.000 1.385 450 I CB -0.140 37.388 38.000 -0.787 0.000 1.064 450 I HN 0.109 nan 8.210 nan 0.000 0.414 451 L N -0.049 120.987 121.223 -0.311 0.000 2.042 451 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 451 L C 2.728 179.527 176.870 -0.118 0.000 1.076 451 L CA 1.679 56.414 54.840 -0.175 0.000 0.749 451 L CB -0.937 41.056 42.059 -0.110 0.000 0.893 451 L HN 0.368 nan 8.230 nan 0.000 0.432 452 H N 0.108 119.067 119.070 -0.185 0.000 2.357 452 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 452 H C 2.119 177.386 175.328 -0.102 0.000 1.082 452 H CA 1.461 57.441 56.048 -0.113 0.000 1.342 452 H CB 0.044 29.756 29.762 -0.082 0.000 1.389 452 H HN 0.256 nan 8.280 nan 0.000 0.511 453 A N 0.406 123.053 122.820 -0.289 0.000 1.978 453 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 453 A C 2.253 179.738 177.584 -0.165 0.000 1.170 453 A CA 1.755 53.638 52.037 -0.257 0.000 0.636 453 A CB -0.613 18.219 19.000 -0.281 0.000 0.810 453 A HN 0.564 nan 8.150 nan 0.000 0.448 454 M N -1.339 118.154 119.600 -0.180 0.000 2.561 454 M HA 0.168 4.648 4.480 -0.000 0.000 0.238 454 M C 1.294 177.555 176.300 -0.065 0.000 1.131 454 M CA 0.730 55.997 55.300 -0.054 0.000 1.046 454 M CB 0.201 32.777 32.600 -0.040 0.000 1.532 454 M HN 0.601 nan 8.290 nan 0.000 0.497 455 G N 1.122 109.846 108.800 -0.128 0.000 2.143 455 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 455 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 455 G C 0.861 175.734 174.900 -0.043 0.000 0.991 455 G CA 0.411 45.452 45.100 -0.098 0.000 0.689 455 G HN 0.467 nan 8.290 nan 0.000 0.522 456 K N -0.569 119.806 120.400 -0.041 0.000 2.262 456 K HA 0.284 4.604 4.320 -0.000 0.000 0.200 456 K C 1.368 177.969 176.600 0.002 0.000 1.049 456 K CA 1.284 57.559 56.287 -0.020 0.000 0.979 456 K CB 0.345 32.825 32.500 -0.033 0.000 0.773 456 K HN 0.816 nan 8.250 nan 0.000 0.474 457 I N -1.583 119.005 120.570 0.029 0.000 2.865 457 I HA 0.445 4.615 4.170 -0.000 0.000 0.302 457 I C -2.955 173.250 176.117 0.147 0.000 1.140 457 I CA -2.949 58.386 61.300 0.058 0.000 1.021 457 I CB 2.311 40.329 38.000 0.031 0.000 1.233 457 I HN -0.253 nan 8.210 nan 0.000 0.427 458 P HA 0.113 nan 4.420 nan 0.000 0.274 458 P C 0.222 177.541 177.300 0.031 0.000 1.246 458 P CA -0.029 63.150 63.100 0.131 0.000 0.795 458 P CB 1.124 32.862 31.700 0.064 0.000 1.006 459 E N 0.915 121.052 120.200 -0.106 0.000 2.118 459 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 459 E C 1.148 177.664 176.600 -0.140 0.000 0.992 459 E CA 1.604 57.765 56.400 -0.398 0.000 0.804 459 E CB -0.261 29.276 29.700 -0.273 0.000 0.741 459 E HN 0.476 nan 8.360 nan 0.000 0.458 460 D N -0.071 120.307 120.400 -0.036 0.000 2.378 460 D HA -0.147 4.493 4.640 -0.000 0.000 0.227 460 D C 0.864 177.187 176.300 0.038 0.000 1.012 460 D CA 0.601 54.612 54.000 0.019 0.000 0.905 460 D CB -0.067 40.746 40.800 0.021 0.000 0.895 460 D HN 0.365 nan 8.370 nan 0.000 0.532 461 E N -0.467 119.740 120.200 0.011 0.000 2.498 461 E HA 0.196 4.545 4.350 -0.000 0.000 0.203 461 E C 1.875 178.470 176.600 -0.008 0.000 1.013 461 E CA -0.287 56.122 56.400 0.015 0.000 0.927 461 E CB 0.401 30.107 29.700 0.009 0.000 1.012 461 E HN 0.279 nan 8.360 nan 0.000 0.482 462 I N 0.014 120.566 120.570 -0.030 0.000 2.179 462 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 462 I C 0.415 176.406 176.117 -0.211 0.000 1.088 462 I CA 1.147 62.364 61.300 -0.138 0.000 1.357 462 I CB 0.073 37.980 38.000 -0.156 0.000 1.051 462 I HN 0.095 nan 8.210 nan 0.000 0.409 463 W N 1.679 122.976 121.300 -0.006 0.000 2.314 463 W HA 0.486 5.146 4.660 -0.000 0.000 0.310 463 W C 0.110 176.635 176.519 0.009 0.000 1.075 463 W CA -0.248 57.105 57.345 0.013 0.000 1.253 463 W CB 0.536 30.006 29.460 0.017 0.000 1.238 463 W HN -0.041 nan 8.180 nan 0.000 0.440 464 Q N 2.673 122.590 119.800 0.195 0.000 2.340 464 Q HA 0.411 4.751 4.340 -0.000 0.000 0.268 464 Q C 0.235 176.312 176.000 0.128 0.000 1.031 464 Q CA -0.521 55.356 55.803 0.122 0.000 0.804 464 Q CB 1.681 30.456 28.738 0.061 0.000 1.286 464 Q HN 0.562 nan 8.270 nan 0.000 0.448 465 S N 2.446 118.205 115.700 0.099 0.000 2.589 465 S HA 0.244 4.714 4.470 -0.000 0.000 0.265 465 S C -0.215 174.429 174.600 0.074 0.000 1.342 465 S CA -0.527 57.723 58.200 0.083 0.000 1.005 465 S CB 1.321 64.553 63.200 0.054 0.000 0.909 465 S HN 0.665 nan 8.310 nan 0.000 0.555 466 E N 0.966 121.211 120.200 0.075 0.000 2.199 466 E HA 0.573 4.923 4.350 -0.000 0.000 0.265 466 E C -2.802 173.830 176.600 0.054 0.000 0.882 466 E CA -2.123 54.317 56.400 0.067 0.000 0.759 466 E CB 1.040 30.790 29.700 0.084 0.000 1.148 466 E HN 0.545 nan 8.360 nan 0.000 0.412 467 P HA 0.069 nan 4.420 nan 0.000 0.269 467 P C -0.749 176.571 177.300 0.034 0.000 1.209 467 P CA -0.198 62.921 63.100 0.032 0.000 0.776 467 P CB 0.522 32.237 31.700 0.025 0.000 0.876 468 E N 1.479 121.696 120.200 0.030 0.000 2.384 468 E HA 0.083 4.433 4.350 -0.000 0.000 0.266 468 E C -0.101 176.512 176.600 0.020 0.000 1.012 468 E CA -0.287 56.129 56.400 0.028 0.000 0.901 468 E CB 0.410 30.125 29.700 0.024 0.000 0.967 468 E HN 0.381 nan 8.360 nan 0.000 0.435 469 S N 2.916 118.625 115.700 0.016 0.000 2.546 469 S HA -0.049 4.421 4.470 -0.000 0.000 0.290 469 S C 1.192 175.798 174.600 0.010 0.000 1.290 469 S CA -0.089 58.117 58.200 0.011 0.000 1.069 469 S CB 0.795 63.996 63.200 0.002 0.000 0.846 469 S HN 0.521 nan 8.310 nan 0.000 0.495 470 V N 1.981 121.902 119.914 0.012 0.000 2.871 470 V HA 0.051 4.171 4.120 -0.000 0.000 0.256 470 V C 1.509 177.608 176.094 0.009 0.000 1.082 470 V CA 1.484 63.790 62.300 0.010 0.000 1.105 470 V CB -0.578 31.252 31.823 0.012 0.000 0.713 470 V HN 0.813 nan 8.190 nan 0.000 0.473 471 D N 1.058 121.463 120.400 0.010 0.000 2.213 471 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 471 D C 0.796 177.095 176.300 -0.002 0.000 0.961 471 D CA 1.141 55.147 54.000 0.009 0.000 0.853 471 D CB 0.713 41.523 40.800 0.017 0.000 0.967 471 D HN 0.515 nan 8.370 nan 0.000 0.496 472 V N 3.789 123.696 119.914 -0.011 0.000 2.320 472 V HA 0.201 4.321 4.120 -0.000 0.000 0.257 472 V C -2.374 173.708 176.094 -0.019 0.000 0.996 472 V CA -1.336 60.948 62.300 -0.027 0.000 0.928 472 V CB 1.144 32.934 31.823 -0.056 0.000 1.169 472 V HN -0.048 nan 8.190 nan 0.000 0.475 473 P HA 0.343 nan 4.420 nan 0.000 0.271 473 P C -0.363 176.936 177.300 -0.003 0.000 1.218 473 P CA 0.095 63.194 63.100 -0.002 0.000 0.780 473 P CB 1.549 33.249 31.700 0.001 0.000 0.901 474 A N 3.327 126.150 122.820 0.006 0.000 2.274 474 A HA 0.326 4.646 4.320 -0.000 0.000 0.309 474 A C 0.250 177.840 177.584 0.009 0.000 1.226 474 A CA -0.541 51.503 52.037 0.011 0.000 0.853 474 A CB 0.285 19.302 19.000 0.029 0.000 1.146 474 A HN 0.451 nan 8.150 nan 0.000 0.518 475 Q N 2.600 122.404 119.800 0.006 0.000 2.259 475 Q HA 0.348 4.688 4.340 -0.000 0.000 0.249 475 Q C -2.280 173.722 176.000 0.004 0.000 0.914 475 Q CA -1.710 54.096 55.803 0.005 0.000 0.904 475 Q CB 1.029 29.769 28.738 0.003 0.000 1.213 475 Q HN 0.560 nan 8.270 nan 0.000 0.428 476 P HA 0.147 nan 4.420 nan 0.000 0.272 476 P C -0.321 176.975 177.300 -0.006 0.000 1.223 476 P CA -0.288 62.809 63.100 -0.004 0.000 0.784 476 P CB 0.710 32.406 31.700 -0.007 0.000 0.923 477 I N 2.220 122.781 120.570 -0.014 0.000 2.352 477 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 477 I C 1.214 177.317 176.117 -0.023 0.000 1.036 477 I CA 0.232 61.522 61.300 -0.018 0.000 1.336 477 I CB 0.102 38.084 38.000 -0.030 0.000 1.407 477 I HN 0.425 nan 8.210 nan 0.000 0.497 478 T N 2.096 116.640 114.554 -0.017 0.000 2.932 478 T HA 0.824 5.173 4.350 -0.000 0.000 0.289 478 T C -0.034 174.647 174.700 -0.031 0.000 1.039 478 T CA -0.681 61.407 62.100 -0.019 0.000 1.024 478 T CB 2.220 71.085 68.868 -0.005 0.000 1.090 478 T HN 0.636 nan 8.240 nan 0.000 0.496 479 T N -1.232 113.300 114.554 -0.037 0.000 2.916 479 T HA 0.738 5.088 4.350 -0.000 0.000 0.292 479 T C 0.249 174.938 174.700 -0.019 0.000 1.055 479 T CA -0.722 61.345 62.100 -0.055 0.000 1.009 479 T CB 1.342 70.154 68.868 -0.095 0.000 1.118 479 T HN 1.027 nan 8.240 nan 0.000 0.497 480 T N -0.671 113.876 114.554 -0.013 0.000 2.902 480 T HA 0.430 4.780 4.350 -0.000 0.000 0.280 480 T C 0.821 175.570 174.700 0.081 0.000 0.992 480 T CA -0.869 61.262 62.100 0.052 0.000 1.015 480 T CB 0.706 69.609 68.868 0.059 0.000 1.044 480 T HN 0.530 nan 8.240 nan 0.000 0.520 481 F N 0.708 120.675 119.950 0.028 0.000 2.126 481 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 481 F C 1.868 177.734 175.800 0.109 0.000 1.096 481 F CA 1.389 59.447 58.000 0.096 0.000 1.255 481 F CB -0.476 38.581 39.000 0.095 0.000 0.997 481 F HN 0.487 nan 8.300 nan 0.000 0.479 482 L N 0.342 121.684 121.223 0.197 0.000 2.056 482 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 482 L C 2.337 179.203 176.870 -0.006 0.000 1.078 482 L CA 1.721 56.624 54.840 0.105 0.000 0.749 482 L CB -0.739 41.409 42.059 0.150 0.000 0.901 482 L HN 0.125 nan 8.230 nan 0.000 0.433 483 E N -0.650 119.533 120.200 -0.029 0.000 2.118 483 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 483 E C 2.352 178.836 176.600 -0.194 0.000 0.992 483 E CA 1.086 57.425 56.400 -0.101 0.000 0.804 483 E CB -0.037 29.591 29.700 -0.120 0.000 0.741 483 E HN 0.395 nan 8.360 nan 0.000 0.458 484 R N -0.526 119.797 120.500 -0.295 0.000 2.090 484 R HA -0.038 4.302 4.340 -0.000 0.000 0.228 484 R C 1.731 177.647 176.300 -0.641 0.000 1.110 484 R CA 1.000 56.789 56.100 -0.519 0.000 0.973 484 R CB 0.069 29.933 30.300 -0.727 0.000 0.869 484 R HN 0.290 nan 8.270 nan 0.000 0.440 485 H N -0.904 117.973 119.070 -0.322 0.000 2.874 485 H HA 0.206 4.762 4.556 -0.000 0.000 0.264 485 H C 0.297 175.520 175.328 -0.176 0.000 1.007 485 H CA -0.198 55.662 56.048 -0.313 0.000 1.207 485 H CB 0.504 29.928 29.762 -0.563 0.000 1.487 485 H HN 0.022 nan 8.280 nan 0.000 0.505 486 L N 4.570 125.770 121.223 -0.038 0.000 2.490 486 L HA 0.058 4.398 4.340 -0.000 0.000 0.274 486 L C -1.649 175.206 176.870 -0.025 0.000 1.201 486 L CA -1.408 53.433 54.840 0.002 0.000 0.869 486 L CB 0.355 42.445 42.059 0.052 0.000 1.123 486 L HN -0.013 nan 8.230 nan 0.000 0.484 487 P HA 0.099 nan 4.420 nan 0.000 0.274 487 P C -0.578 176.680 177.300 -0.069 0.000 1.237 487 P CA -0.559 62.513 63.100 -0.048 0.000 0.793 487 P CB 0.972 32.643 31.700 -0.048 0.000 0.977 488 S N 0.302 115.943 115.700 -0.100 0.000 2.617 488 S HA 0.090 4.560 4.470 -0.000 0.000 0.259 488 S C 1.512 175.982 174.600 -0.217 0.000 1.301 488 S CA -0.557 57.559 58.200 -0.139 0.000 0.984 488 S CB -0.311 62.803 63.200 -0.144 0.000 0.954 488 S HN 0.218 nan 8.310 nan 0.000 0.572 489 V N 2.343 122.063 119.914 -0.324 0.000 2.261 489 V HA -0.075 4.045 4.120 -0.000 0.000 0.246 489 V C -0.417 175.268 176.094 -0.681 0.000 1.047 489 V CA 1.940 63.959 62.300 -0.469 0.000 1.015 489 V CB -1.942 29.585 31.823 -0.492 0.000 0.642 489 V HN 0.804 nan 8.190 nan 0.000 0.446 490 P HA -0.113 nan 4.420 nan 0.000 0.218 490 P C 1.739 178.843 177.300 -0.327 0.000 1.149 490 P CA 1.986 64.654 63.100 -0.721 0.000 0.817 490 P CB -0.285 31.096 31.700 -0.531 0.000 0.785 491 G N 0.529 109.179 108.800 -0.249 0.000 2.418 491 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 491 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 491 G C 1.535 176.361 174.900 -0.123 0.000 1.158 491 G CA 0.523 45.537 45.100 -0.142 0.000 0.771 491 G HN 0.252 nan 8.290 nan 0.000 0.545 492 L N 0.277 121.412 121.223 -0.146 0.000 2.093 492 L HA 0.151 4.491 4.340 -0.000 0.000 0.208 492 L C 2.645 179.454 176.870 -0.101 0.000 1.085 492 L CA 1.210 55.987 54.840 -0.106 0.000 0.755 492 L CB -0.217 41.782 42.059 -0.099 0.000 0.904 492 L HN 0.190 nan 8.230 nan 0.000 0.435 493 L N -1.070 120.065 121.223 -0.148 0.000 2.141 493 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 493 L C 2.712 179.539 176.870 -0.072 0.000 1.094 493 L CA 0.903 55.676 54.840 -0.112 0.000 0.763 493 L CB -0.527 41.439 42.059 -0.155 0.000 0.908 493 L HN 0.201 nan 8.230 nan 0.000 0.437 494 R N -0.284 120.169 120.500 -0.078 0.000 2.090 494 R HA -0.107 4.233 4.340 -0.000 0.000 0.228 494 R C 2.222 178.502 176.300 -0.033 0.000 1.110 494 R CA 1.024 57.096 56.100 -0.046 0.000 0.973 494 R CB -0.270 30.003 30.300 -0.044 0.000 0.869 494 R HN 0.228 nan 8.270 nan 0.000 0.440 495 L N 0.780 121.979 121.223 -0.040 0.000 2.201 495 L HA -0.020 4.320 4.340 -0.000 0.000 0.212 495 L C 1.058 177.915 176.870 -0.021 0.000 1.105 495 L CA 1.084 55.908 54.840 -0.028 0.000 0.775 495 L CB 0.005 42.047 42.059 -0.029 0.000 0.913 495 L HN 0.019 nan 8.230 nan 0.000 0.440 496 I N 0.000 120.555 120.570 -0.026 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.290 61.300 -0.017 0.000 1.566 496 I CB 0.000 37.988 38.000 -0.019 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494