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 2bk4_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIFSTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.517 175.510 0.012 0.000 1.280 3 N CA 0.000 52.948 53.050 -0.170 0.000 0.885 3 N CB 0.000 38.419 38.487 -0.113 0.000 1.341 4 K N 0.814 121.233 120.400 0.031 0.000 2.185 4 K HA 0.638 4.958 4.320 -0.000 0.000 0.269 4 K C -0.438 176.205 176.600 0.071 0.000 0.987 4 K CA -0.574 55.742 56.287 0.050 0.000 0.865 4 K CB 1.854 34.367 32.500 0.022 0.000 1.090 4 K HN 0.624 nan 8.250 nan 0.000 0.450 5 C N -1.130 118.216 119.300 0.076 0.000 3.314 5 C HA 0.379 4.839 4.460 -0.000 0.000 0.344 5 C C 0.661 175.690 174.990 0.065 0.000 1.461 5 C CA -0.801 58.261 59.018 0.074 0.000 1.249 5 C CB 0.905 28.700 27.740 0.091 0.000 1.632 5 C HN 0.796 nan 8.230 nan 0.000 0.452 6 D N 0.261 120.703 120.400 0.069 0.000 2.120 6 D HA 0.126 4.766 4.640 -0.000 0.000 0.202 6 D C 0.342 176.713 176.300 0.118 0.000 0.972 6 D CA 1.729 55.781 54.000 0.086 0.000 0.837 6 D CB 0.246 41.094 40.800 0.080 0.000 0.989 6 D HN 0.495 nan 8.370 nan 0.000 0.469 7 V N 1.362 121.333 119.914 0.094 0.000 2.623 7 V HA 0.248 4.368 4.120 -0.000 0.000 0.304 7 V C -0.182 175.944 176.094 0.053 0.000 1.054 7 V CA -0.844 61.513 62.300 0.095 0.000 0.882 7 V CB 2.789 34.655 31.823 0.071 0.000 1.002 7 V HN -0.249 nan 8.190 nan 0.000 0.424 8 V N 5.214 125.156 119.914 0.045 0.000 2.407 8 V HA 0.412 4.532 4.120 -0.000 0.000 0.278 8 V C -0.067 176.022 176.094 -0.010 0.000 1.037 8 V CA -0.403 61.894 62.300 -0.005 0.000 0.900 8 V CB 1.840 33.655 31.823 -0.013 0.000 0.983 8 V HN 0.637 nan 8.190 nan 0.000 0.459 9 V N 6.180 126.073 119.914 -0.035 0.000 2.370 9 V HA 0.327 4.447 4.120 -0.000 0.000 0.283 9 V C -0.007 176.063 176.094 -0.041 0.000 1.023 9 V CA -0.588 61.698 62.300 -0.024 0.000 0.857 9 V CB 1.755 33.566 31.823 -0.020 0.000 0.985 9 V HN 0.598 nan 8.190 nan 0.000 0.443 10 V N 4.665 124.569 119.914 -0.016 0.000 2.353 10 V HA 0.793 4.913 4.120 -0.000 0.000 0.264 10 V C 0.699 176.799 176.094 0.010 0.000 1.049 10 V CA 0.445 62.737 62.300 -0.013 0.000 0.896 10 V CB 0.396 32.229 31.823 0.017 0.000 1.025 10 V HN 1.262 nan 8.190 nan 0.000 0.475 11 G N 3.619 112.411 108.800 -0.014 0.000 3.367 11 G HA2 0.186 4.146 3.960 -0.000 0.000 0.686 11 G HA3 0.186 4.146 3.960 -0.000 0.000 0.686 11 G C 0.065 174.966 174.900 0.002 0.000 1.146 11 G CA -0.510 44.594 45.100 0.007 0.000 0.913 11 G HN 1.180 nan 8.290 nan 0.000 0.554 12 G N 0.779 109.577 108.800 -0.003 0.000 3.959 12 G HA2 0.678 4.638 3.960 -0.000 0.000 0.298 12 G HA3 0.678 4.638 3.960 -0.000 0.000 0.298 12 G C 0.877 175.791 174.900 0.023 0.000 1.211 12 G CA 0.920 46.019 45.100 -0.001 0.000 1.001 12 G HN 1.277 nan 8.290 nan 0.000 0.561 13 G N -0.151 108.674 108.800 0.042 0.000 2.535 13 G HA2 0.349 4.309 3.960 -0.000 0.000 0.282 13 G HA3 0.349 4.309 3.960 -0.000 0.000 0.282 13 G C 1.185 176.111 174.900 0.043 0.000 1.350 13 G CA -0.767 44.368 45.100 0.057 0.000 1.039 13 G HN 0.138 nan 8.290 nan 0.000 0.509 14 I N -0.554 120.045 120.570 0.047 0.000 2.264 14 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 14 I C 3.011 179.152 176.117 0.040 0.000 1.111 14 I CA 1.622 62.943 61.300 0.035 0.000 1.382 14 I CB -0.071 37.953 38.000 0.041 0.000 1.060 14 I HN 0.471 nan 8.210 nan 0.000 0.418 15 S N 0.463 116.199 115.700 0.060 0.000 2.345 15 S HA -0.117 4.353 4.470 -0.000 0.000 0.220 15 S C 2.121 176.748 174.600 0.046 0.000 1.031 15 S CA 1.571 59.810 58.200 0.065 0.000 0.996 15 S CB -0.607 62.650 63.200 0.095 0.000 0.882 15 S HN 0.566 nan 8.310 nan 0.000 0.445 16 G N 1.698 110.524 108.800 0.043 0.000 2.440 16 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 16 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 16 G C 1.454 176.358 174.900 0.006 0.000 1.154 16 G CA 1.058 46.173 45.100 0.024 0.000 0.767 16 G HN 0.400 nan 8.290 nan 0.000 0.552 17 M N 1.208 120.810 119.600 0.003 0.000 2.117 17 M HA 0.073 4.553 4.480 -0.000 0.000 0.262 17 M C 3.020 179.314 176.300 -0.011 0.000 1.065 17 M CA 1.240 56.532 55.300 -0.012 0.000 1.114 17 M CB -1.384 31.206 32.600 -0.017 0.000 1.361 17 M HN 0.311 nan 8.290 nan 0.000 0.408 18 A N 0.311 123.131 122.820 -0.001 0.000 1.933 18 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 18 A C 2.463 180.045 177.584 -0.002 0.000 1.175 18 A CA 2.156 54.193 52.037 -0.000 0.000 0.628 18 A CB -0.881 18.125 19.000 0.010 0.000 0.814 18 A HN 0.477 nan 8.150 nan 0.000 0.444 19 A N -0.135 122.684 122.820 -0.002 0.000 1.873 19 A HA 0.184 4.504 4.320 -0.000 0.000 0.215 19 A C 2.529 180.108 177.584 -0.009 0.000 1.186 19 A CA 2.074 54.103 52.037 -0.012 0.000 0.616 19 A CB -1.084 17.910 19.000 -0.010 0.000 0.823 19 A HN 1.066 nan 8.150 nan 0.000 0.442 20 A N -0.160 122.657 122.820 -0.005 0.000 1.902 20 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 20 A C 2.141 179.741 177.584 0.026 0.000 1.181 20 A CA 2.092 54.130 52.037 0.001 0.000 0.623 20 A CB -0.475 18.514 19.000 -0.020 0.000 0.818 20 A HN 0.582 nan 8.150 nan 0.000 0.443 21 K N -0.439 119.968 120.400 0.012 0.000 2.057 21 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 21 K C 1.994 178.635 176.600 0.067 0.000 1.049 21 K CA 1.479 57.788 56.287 0.037 0.000 0.931 21 K CB -0.313 32.191 32.500 0.007 0.000 0.714 21 K HN 0.448 nan 8.250 nan 0.000 0.440 22 L N 1.149 122.388 121.223 0.027 0.000 2.017 22 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 22 L C 2.197 179.072 176.870 0.009 0.000 1.073 22 L CA 1.225 56.071 54.840 0.010 0.000 0.745 22 L CB -0.174 41.875 42.059 -0.016 0.000 0.894 22 L HN 0.256 nan 8.230 nan 0.000 0.432 23 L N -1.034 120.196 121.223 0.011 0.000 2.046 23 L HA -0.279 4.061 4.340 -0.000 0.000 0.208 23 L C 2.613 179.503 176.870 0.034 0.000 1.077 23 L CA 1.570 56.413 54.840 0.005 0.000 0.747 23 L CB -0.865 41.195 42.059 0.001 0.000 0.896 23 L HN 0.421 nan 8.230 nan 0.000 0.432 24 H N 0.284 119.342 119.070 -0.021 0.000 2.321 24 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 24 H C 1.810 177.130 175.328 -0.014 0.000 1.087 24 H CA 2.052 58.091 56.048 -0.015 0.000 1.319 24 H CB 0.007 29.761 29.762 -0.014 0.000 1.379 24 H HN 0.220 nan 8.280 nan 0.000 0.501 25 D N -0.583 119.811 120.400 -0.011 0.000 2.218 25 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 25 D C 1.911 178.159 176.300 -0.087 0.000 0.976 25 D CA 1.203 55.165 54.000 -0.063 0.000 0.853 25 D CB -0.211 40.596 40.800 0.011 0.000 0.939 25 D HN 0.335 nan 8.370 nan 0.000 0.481 26 S N -1.097 114.563 115.700 -0.066 0.000 2.562 26 S HA 0.227 4.697 4.470 -0.000 0.000 0.221 26 S C 1.587 176.143 174.600 -0.073 0.000 0.975 26 S CA 0.645 58.809 58.200 -0.059 0.000 0.918 26 S CB 0.591 63.764 63.200 -0.046 0.000 0.772 26 S HN 0.455 nan 8.310 nan 0.000 0.531 27 G N 0.878 109.609 108.800 -0.114 0.000 2.144 27 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 27 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 27 G C -0.066 174.792 174.900 -0.070 0.000 0.988 27 G CA -0.362 44.672 45.100 -0.111 0.000 0.659 27 G HN 0.409 nan 8.290 nan 0.000 0.522 28 L N 0.539 121.733 121.223 -0.047 0.000 2.379 28 L HA 0.448 4.788 4.340 -0.000 0.000 0.269 28 L C 0.117 177.002 176.870 0.025 0.000 1.084 28 L CA -1.118 53.720 54.840 -0.004 0.000 0.802 28 L CB 0.707 42.770 42.059 0.007 0.000 1.175 28 L HN -0.005 nan 8.230 nan 0.000 0.448 29 N N 2.018 120.743 118.700 0.043 0.000 2.406 29 N HA 0.261 5.001 4.740 -0.000 0.000 0.251 29 N C -0.656 174.897 175.510 0.072 0.000 1.069 29 N CA -0.100 52.990 53.050 0.067 0.000 0.947 29 N CB 1.457 39.978 38.487 0.057 0.000 1.111 29 N HN 0.351 nan 8.380 nan 0.000 0.497 30 V N 0.164 120.129 119.914 0.084 0.000 2.667 30 V HA 0.732 4.852 4.120 -0.000 0.000 0.308 30 V C -0.031 176.082 176.094 0.031 0.000 1.048 30 V CA -0.733 61.600 62.300 0.055 0.000 0.928 30 V CB 1.950 33.803 31.823 0.050 0.000 1.004 30 V HN 0.153 nan 8.190 nan 0.000 0.444 31 V N 3.637 123.551 119.914 -0.001 0.000 2.656 31 V HA 0.549 4.669 4.120 -0.000 0.000 0.307 31 V C -0.341 175.695 176.094 -0.097 0.000 1.051 31 V CA -0.542 61.727 62.300 -0.052 0.000 0.893 31 V CB 2.117 33.896 31.823 -0.072 0.000 0.999 31 V HN 0.840 nan 8.190 nan 0.000 0.426 32 V N 5.991 125.840 119.914 -0.108 0.000 2.370 32 V HA 0.458 4.578 4.120 -0.000 0.000 0.283 32 V C -0.238 175.760 176.094 -0.160 0.000 1.023 32 V CA -0.453 61.781 62.300 -0.110 0.000 0.857 32 V CB 1.493 33.272 31.823 -0.074 0.000 0.985 32 V HN 0.610 nan 8.190 nan 0.000 0.443 33 L N 4.596 125.711 121.223 -0.181 0.000 2.262 33 L HA 0.602 4.942 4.340 -0.000 0.000 0.288 33 L C -0.169 176.621 176.870 -0.133 0.000 1.035 33 L CA -0.333 54.385 54.840 -0.203 0.000 0.820 33 L CB 1.368 43.270 42.059 -0.262 0.000 1.204 33 L HN 0.629 nan 8.230 nan 0.000 0.424 34 E N 2.387 122.513 120.200 -0.124 0.000 2.176 34 E HA 0.487 4.837 4.350 -0.000 0.000 0.267 34 E C 0.363 176.861 176.600 -0.171 0.000 0.893 34 E CA -0.317 56.012 56.400 -0.117 0.000 0.761 34 E CB 2.050 31.703 29.700 -0.079 0.000 1.133 34 E HN 0.549 nan 8.360 nan 0.000 0.409 35 A N 5.415 128.071 122.820 -0.274 0.000 1.902 35 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 35 A C 1.079 178.436 177.584 -0.379 0.000 1.181 35 A CA 1.095 52.832 52.037 -0.499 0.000 0.623 35 A CB -0.226 18.073 19.000 -1.168 0.000 0.818 35 A HN 0.613 nan 8.150 nan 0.000 0.443 36 R N -0.172 120.183 120.500 -0.241 0.000 2.583 36 R HA 0.244 4.584 4.340 -0.000 0.000 0.268 36 R C 0.190 176.449 176.300 -0.069 0.000 1.101 36 R CA 0.143 56.175 56.100 -0.112 0.000 1.180 36 R CB 0.178 30.453 30.300 -0.042 0.000 1.128 36 R HN 0.468 nan 8.270 nan 0.000 0.568 37 D N 0.469 120.846 120.400 -0.037 0.000 2.324 37 D HA -0.043 4.597 4.640 -0.000 0.000 0.235 37 D C -0.120 176.178 176.300 -0.003 0.000 1.095 37 D CA 0.134 54.121 54.000 -0.020 0.000 0.871 37 D CB -0.046 40.747 40.800 -0.011 0.000 0.906 37 D HN 0.437 nan 8.370 nan 0.000 0.522 38 R N -1.286 119.214 120.500 0.001 0.000 2.710 38 R HA 0.572 4.912 4.340 -0.000 0.000 0.270 38 R C -0.705 175.613 176.300 0.030 0.000 1.021 38 R CA -1.109 55.010 56.100 0.032 0.000 0.889 38 R CB 1.171 31.515 30.300 0.072 0.000 1.243 38 R HN -0.097 nan 8.270 nan 0.000 0.464 39 V N -1.442 118.497 119.914 0.043 0.000 3.262 39 V HA 0.858 4.978 4.120 -0.000 0.000 0.313 39 V C 0.945 177.091 176.094 0.086 0.000 1.070 39 V CA 0.451 62.776 62.300 0.042 0.000 1.049 39 V CB 0.797 32.631 31.823 0.018 0.000 1.157 39 V HN 1.200 nan 8.190 nan 0.000 0.454 40 G N -0.801 108.049 108.800 0.083 0.000 2.339 40 G HA2 0.140 4.100 3.960 -0.000 0.000 0.209 40 G HA3 0.140 4.100 3.960 -0.000 0.000 0.209 40 G C 1.623 176.608 174.900 0.141 0.000 1.015 40 G CA 0.768 45.937 45.100 0.114 0.000 0.635 40 G HN 2.613 nan 8.290 nan 0.000 0.499 41 G N 0.592 109.488 108.800 0.161 0.000 2.620 41 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.315 41 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.315 41 G C 0.970 176.024 174.900 0.257 0.000 1.179 41 G CA 1.509 46.721 45.100 0.187 0.000 0.971 41 G HN 1.186 nan 8.290 nan 0.000 0.544 42 R N 1.865 122.426 120.500 0.101 0.000 2.323 42 R HA 0.223 4.563 4.340 -0.000 0.000 0.198 42 R C 1.066 177.257 176.300 -0.181 0.000 0.988 42 R CA 1.037 57.021 56.100 -0.194 0.000 1.041 42 R CB -0.141 30.017 30.300 -0.236 0.000 0.926 42 R HN 0.706 nan 8.270 nan 0.000 0.476 43 T N -2.373 112.227 114.554 0.078 0.000 2.829 43 T HA 0.358 4.708 4.350 -0.000 0.000 0.282 43 T C -0.933 173.990 174.700 0.373 0.000 0.990 43 T CA -0.619 61.578 62.100 0.163 0.000 1.028 43 T CB 1.553 70.484 68.868 0.106 0.000 0.951 43 T HN 0.107 nan 8.240 nan 0.000 0.460 44 Y N 1.249 121.697 120.300 0.247 0.000 2.313 44 Y HA 0.417 4.967 4.550 0.000 0.000 0.320 44 Y C -1.165 174.849 175.900 0.189 0.000 1.171 44 Y CA -0.812 57.434 58.100 0.242 0.000 1.093 44 Y CB 1.552 40.216 38.460 0.340 0.000 1.224 44 Y HN 0.869 nan 8.280 nan 0.000 0.421 45 T N 7.866 122.245 114.554 -0.292 0.000 2.753 45 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 45 T C -0.730 173.645 174.700 -0.542 0.000 0.981 45 T CA -0.382 61.546 62.100 -0.287 0.000 0.956 45 T CB 0.389 69.201 68.868 -0.093 0.000 0.936 45 T HN 0.573 nan 8.240 nan 0.000 0.463 46 L N 4.576 125.490 121.223 -0.514 0.000 2.349 46 L HA 0.519 4.859 4.340 -0.000 0.000 0.275 46 L C -0.004 176.788 176.870 -0.130 0.000 1.115 46 L CA 0.104 54.725 54.840 -0.365 0.000 0.820 46 L CB 0.337 42.284 42.059 -0.187 0.000 1.135 46 L HN 0.496 nan 8.230 nan 0.000 0.445 47 R N 3.723 124.173 120.500 -0.085 0.000 2.480 47 R HA 0.584 4.924 4.340 -0.000 0.000 0.306 47 R C -1.125 175.152 176.300 -0.038 0.000 0.958 47 R CA -0.596 55.481 56.100 -0.039 0.000 0.861 47 R CB 1.265 31.553 30.300 -0.020 0.000 1.171 47 R HN 0.922 nan 8.270 nan 0.000 0.445 48 N N -0.864 117.798 118.700 -0.064 0.000 3.020 48 N HA -0.012 4.728 4.740 -0.000 0.000 0.248 48 N C -0.157 175.293 175.510 -0.100 0.000 1.480 48 N CA -0.941 52.068 53.050 -0.068 0.000 0.874 48 N CB 0.798 39.250 38.487 -0.059 0.000 1.433 48 N HN 0.326 nan 8.380 nan 0.000 0.530 49 Q N -0.484 119.266 119.800 -0.084 0.000 2.230 49 Q HA 0.005 4.345 4.340 -0.000 0.000 0.202 49 Q C 0.464 176.419 176.000 -0.075 0.000 0.963 49 Q CA 1.098 56.867 55.803 -0.057 0.000 0.866 49 Q CB 0.087 28.804 28.738 -0.035 0.000 0.931 49 Q HN 0.499 nan 8.270 nan 0.000 0.452 50 K N 0.107 120.371 120.400 -0.227 0.000 2.155 50 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 50 K C 1.987 178.368 176.600 -0.364 0.000 1.052 50 K CA 1.333 57.381 56.287 -0.397 0.000 0.948 50 K CB 0.085 32.019 32.500 -0.942 0.000 0.728 50 K HN 0.315 nan 8.250 nan 0.000 0.448 51 V N -2.713 116.952 119.914 -0.415 0.000 3.645 51 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 51 V C 1.410 177.109 176.094 -0.659 0.000 1.356 51 V CA 0.679 62.689 62.300 -0.484 0.000 1.051 51 V CB 0.189 31.760 31.823 -0.420 0.000 0.828 51 V HN 0.280 nan 8.190 nan 0.000 0.441 52 K N 0.600 120.699 120.400 -0.502 0.000 10.883 52 K HA -0.308 4.012 4.320 -0.000 0.000 0.526 52 K C 0.161 176.663 176.600 -0.163 0.000 0.382 52 K CA 2.516 58.557 56.287 -0.410 0.000 1.943 52 K CB -1.497 30.560 32.500 -0.737 0.000 0.766 52 K HN 0.954 nan 8.250 nan 0.000 1.214 53 Y N -1.843 118.303 120.300 -0.257 0.000 2.562 53 Y HA 0.749 5.299 4.550 -0.000 0.000 0.345 53 Y C -1.206 174.643 175.900 -0.084 0.000 1.045 53 Y CA -0.726 57.286 58.100 -0.147 0.000 1.028 53 Y CB 2.118 40.510 38.460 -0.113 0.000 1.297 53 Y HN 0.032 nan 8.280 nan 0.000 0.463 54 V N 2.254 122.219 119.914 0.086 0.000 2.852 54 V HA 0.324 4.444 4.120 -0.000 0.000 0.300 54 V C -1.637 174.511 176.094 0.090 0.000 1.205 54 V CA -0.667 61.682 62.300 0.083 0.000 0.940 54 V CB 1.919 33.809 31.823 0.112 0.000 1.047 54 V HN 0.930 nan 8.190 nan 0.000 0.429 55 D N 5.651 126.117 120.400 0.111 0.000 2.371 55 D HA 0.283 4.923 4.640 -0.000 0.000 0.256 55 D C 0.831 177.212 176.300 0.135 0.000 1.193 55 D CA 0.249 54.303 54.000 0.092 0.000 0.881 55 D CB 1.859 42.688 40.800 0.047 0.000 1.143 55 D HN 0.516 nan 8.370 nan 0.000 0.473 56 L N 1.466 122.827 121.223 0.231 0.000 2.590 56 L HA 0.219 4.559 4.340 -0.000 0.000 0.227 56 L C 1.522 178.787 176.870 0.659 0.000 1.099 56 L CA 0.051 55.127 54.840 0.394 0.000 0.872 56 L CB 0.381 42.688 42.059 0.414 0.000 1.088 56 L HN 0.343 nan 8.230 nan 0.000 0.479 57 G N -0.708 108.399 108.800 0.512 0.000 3.247 57 G HA2 0.419 4.379 3.960 -0.000 0.000 0.163 57 G HA3 0.419 4.379 3.960 -0.000 0.000 0.163 57 G C -0.116 174.804 174.900 0.033 0.000 1.206 57 G CA -0.024 45.180 45.100 0.173 0.000 0.918 57 G HN 0.087 nan 8.290 nan 0.000 0.625 58 G N -0.756 107.996 108.800 -0.080 0.000 2.321 58 G HA2 0.364 4.324 3.960 -0.000 0.000 0.237 58 G HA3 0.364 4.324 3.960 -0.000 0.000 0.237 58 G C 0.530 175.406 174.900 -0.040 0.000 1.282 58 G CA 0.955 46.015 45.100 -0.067 0.000 0.886 58 G HN 0.870 nan 8.290 nan 0.000 0.528 59 S N 1.141 116.764 115.700 -0.129 0.000 3.330 59 S HA 0.178 4.648 4.470 -0.000 0.000 0.259 59 S C 0.068 174.426 174.600 -0.402 0.000 1.095 59 S CA -0.333 57.691 58.200 -0.293 0.000 0.841 59 S CB -0.077 62.800 63.200 -0.538 0.000 0.890 59 S HN 0.487 nan 8.310 nan 0.000 0.446 60 Y N 2.980 123.239 120.300 -0.069 0.000 2.309 60 Y HA 0.520 5.070 4.550 -0.000 0.000 0.327 60 Y C 0.340 176.110 175.900 -0.217 0.000 1.172 60 Y CA -0.324 57.685 58.100 -0.153 0.000 1.280 60 Y CB 1.084 39.489 38.460 -0.092 0.000 1.234 60 Y HN 0.144 nan 8.280 nan 0.000 0.512 61 V N -0.209 119.581 119.914 -0.206 0.000 3.102 61 V HA 1.104 5.224 4.120 -0.000 0.000 0.312 61 V C -0.276 175.621 176.094 -0.328 0.000 1.135 61 V CA -0.524 61.578 62.300 -0.330 0.000 1.022 61 V CB 1.706 33.257 31.823 -0.453 0.000 1.056 61 V HN 0.939 nan 8.190 nan 0.000 0.436 62 G N 0.280 108.838 108.800 -0.404 0.000 2.606 62 G HA2 0.719 4.679 3.960 -0.000 0.000 0.300 62 G HA3 0.719 4.679 3.960 -0.000 0.000 0.300 62 G C -3.428 171.301 174.900 -0.283 0.000 1.360 62 G CA -1.177 43.737 45.100 -0.311 0.000 0.783 62 G HN 0.719 nan 8.290 nan 0.000 0.484 63 P HA 0.116 nan 4.420 nan 0.000 0.265 63 P C 0.785 178.065 177.300 -0.033 0.000 1.187 63 P CA 1.952 65.005 63.100 -0.078 0.000 0.766 63 P CB 0.909 32.593 31.700 -0.027 0.000 0.820 64 T N -1.317 113.249 114.554 0.020 0.000 6.424 64 T HA -0.249 4.101 4.350 -0.000 0.000 0.279 64 T C 0.259 174.994 174.700 0.059 0.000 2.176 64 T CA 0.967 63.160 62.100 0.155 0.000 3.628 64 T CB -2.661 66.430 68.868 0.372 0.000 1.165 64 T HN 0.576 nan 8.240 nan 0.000 1.080 65 Q N 1.404 121.047 119.800 -0.261 0.000 3.150 65 Q HA 0.371 4.711 4.340 -0.000 0.000 0.297 65 Q C 0.938 176.843 176.000 -0.159 0.000 1.382 65 Q CA -0.448 55.105 55.803 -0.416 0.000 1.059 65 Q CB 0.179 28.477 28.738 -0.734 0.000 1.559 65 Q HN 0.506 nan 8.270 nan 0.000 0.548 66 N N 0.818 119.502 118.700 -0.027 0.000 2.354 66 N HA -0.063 4.677 4.740 -0.000 0.000 0.179 66 N C 1.230 176.753 175.510 0.022 0.000 1.021 66 N CA 0.762 53.818 53.050 0.010 0.000 0.887 66 N CB 0.273 38.789 38.487 0.048 0.000 0.974 66 N HN 0.383 nan 8.380 nan 0.000 0.437 67 R N 0.597 121.116 120.500 0.032 0.000 2.066 67 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 67 R C 2.077 178.397 176.300 0.033 0.000 1.131 67 R CA 0.766 56.891 56.100 0.041 0.000 0.955 67 R CB -0.395 29.943 30.300 0.063 0.000 0.851 67 R HN 0.091 nan 8.270 nan 0.000 0.432 68 I N 1.253 121.838 120.570 0.025 0.000 2.286 68 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 68 I C 1.840 178.028 176.117 0.119 0.000 1.115 68 I CA 1.393 62.731 61.300 0.064 0.000 1.392 68 I CB -0.037 38.010 38.000 0.077 0.000 1.065 68 I HN 0.102 nan 8.210 nan 0.000 0.418 69 L N 0.130 121.402 121.223 0.082 0.000 2.056 69 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 69 L C 2.747 179.664 176.870 0.078 0.000 1.078 69 L CA 1.289 56.191 54.840 0.104 0.000 0.749 69 L CB -0.837 41.236 42.059 0.023 0.000 0.901 69 L HN 0.259 nan 8.230 nan 0.000 0.433 70 R N 0.720 121.246 120.500 0.044 0.000 2.066 70 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 70 R C 2.306 178.616 176.300 0.017 0.000 1.131 70 R CA 1.592 57.710 56.100 0.030 0.000 0.955 70 R CB -0.601 29.715 30.300 0.025 0.000 0.851 70 R HN 0.239 nan 8.270 nan 0.000 0.432 71 L N 1.206 122.436 121.223 0.012 0.000 2.012 71 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 71 L C 2.423 179.263 176.870 -0.050 0.000 1.073 71 L CA 2.348 57.179 54.840 -0.015 0.000 0.748 71 L CB -0.868 41.182 42.059 -0.016 0.000 0.891 71 L HN 0.246 nan 8.230 nan 0.000 0.431 72 A N -0.695 122.086 122.820 -0.066 0.000 1.902 72 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 72 A C 2.463 179.998 177.584 -0.082 0.000 1.181 72 A CA 1.943 53.875 52.037 -0.176 0.000 0.623 72 A CB -0.644 18.166 19.000 -0.316 0.000 0.818 72 A HN 0.514 nan 8.150 nan 0.000 0.443 73 K N -0.255 120.146 120.400 0.002 0.000 2.057 73 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 73 K C 2.062 178.657 176.600 -0.009 0.000 1.049 73 K CA 1.705 58.000 56.287 0.014 0.000 0.931 73 K CB -0.186 32.333 32.500 0.033 0.000 0.714 73 K HN 0.619 nan 8.250 nan 0.000 0.440 74 E N 0.483 120.674 120.200 -0.014 0.000 2.153 74 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 74 E C 1.650 178.233 176.600 -0.029 0.000 0.988 74 E CA 0.918 57.308 56.400 -0.016 0.000 0.811 74 E CB 0.011 29.704 29.700 -0.012 0.000 0.746 74 E HN 0.363 nan 8.360 nan 0.000 0.466 75 L N -0.665 120.527 121.223 -0.052 0.000 2.610 75 L HA 0.148 4.488 4.340 -0.000 0.000 0.232 75 L C 1.377 178.208 176.870 -0.066 0.000 1.149 75 L CA 0.472 55.271 54.840 -0.068 0.000 0.872 75 L CB 0.143 42.140 42.059 -0.103 0.000 0.992 75 L HN 0.368 nan 8.230 nan 0.000 0.447 76 G N 0.204 108.974 108.800 -0.050 0.000 2.131 76 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.223 76 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.223 76 G C 0.042 174.917 174.900 -0.040 0.000 0.990 76 G CA -0.327 44.750 45.100 -0.037 0.000 0.671 76 G HN 0.198 nan 8.290 nan 0.000 0.521 77 L N -0.247 120.942 121.223 -0.056 0.000 2.375 77 L HA 0.777 5.117 4.340 -0.000 0.000 0.268 77 L C 0.558 177.467 176.870 0.066 0.000 1.058 77 L CA -0.829 53.985 54.840 -0.044 0.000 0.803 77 L CB 1.221 43.160 42.059 -0.199 0.000 1.212 77 L HN 0.186 nan 8.230 nan 0.000 0.451 78 E N -0.219 120.062 120.200 0.135 0.000 2.336 78 E HA 0.458 4.808 4.350 -0.000 0.000 0.267 78 E C -1.002 175.753 176.600 0.258 0.000 0.906 78 E CA -0.732 55.768 56.400 0.168 0.000 0.781 78 E CB 2.486 32.252 29.700 0.110 0.000 1.261 78 E HN 0.663 nan 8.360 nan 0.000 0.436 79 T N -1.297 113.352 114.554 0.158 0.000 2.952 79 T HA 0.630 4.980 4.350 -0.000 0.000 0.286 79 T C -0.748 174.028 174.700 0.126 0.000 1.024 79 T CA -0.659 61.464 62.100 0.038 0.000 1.029 79 T CB 0.683 69.448 68.868 -0.171 0.000 1.094 79 T HN 0.530 nan 8.240 nan 0.000 0.515 80 Y N -1.367 118.920 120.300 -0.023 0.000 2.609 80 Y HA 0.727 5.277 4.550 -0.000 0.000 0.342 80 Y C -0.776 175.117 175.900 -0.013 0.000 1.058 80 Y CA -1.541 56.559 58.100 0.000 0.000 1.055 80 Y CB 1.401 39.882 38.460 0.035 0.000 1.292 80 Y HN 0.630 nan 8.280 nan 0.000 0.476 81 K N 2.287 122.729 120.400 0.069 0.000 2.276 81 K HA 0.420 4.740 4.320 -0.000 0.000 0.283 81 K C -0.798 175.818 176.600 0.027 0.000 1.044 81 K CA -0.761 55.512 56.287 -0.024 0.000 0.944 81 K CB 1.616 34.131 32.500 0.026 0.000 1.012 81 K HN 0.571 nan 8.250 nan 0.000 0.472 82 V N 3.244 123.116 119.914 -0.071 0.000 2.673 82 V HA -0.114 4.006 4.120 -0.000 0.000 0.303 82 V C 0.608 176.731 176.094 0.048 0.000 1.046 82 V CA -0.135 62.178 62.300 0.021 0.000 1.126 82 V CB 0.257 32.077 31.823 -0.005 0.000 0.934 82 V HN 0.731 nan 8.190 nan 0.000 0.487 83 N N 3.833 122.589 118.700 0.093 0.000 2.434 83 N HA -0.001 4.739 4.740 -0.000 0.000 0.268 83 N C 0.292 175.809 175.510 0.013 0.000 1.256 83 N CA 0.557 53.650 53.050 0.071 0.000 0.914 83 N CB 0.218 38.775 38.487 0.116 0.000 1.088 83 N HN 0.820 nan 8.380 nan 0.000 0.478 84 E N 2.860 123.057 120.200 -0.005 0.000 3.191 84 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 84 E C 0.373 176.957 176.600 -0.027 0.000 0.972 84 E CA -0.073 56.303 56.400 -0.040 0.000 1.266 84 E CB 0.277 29.934 29.700 -0.071 0.000 1.076 84 E HN 0.436 nan 8.360 nan 0.000 0.462 85 V N 0.512 120.425 119.914 -0.002 0.000 2.307 85 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 85 V C 0.939 177.031 176.094 -0.004 0.000 1.045 85 V CA 1.593 63.893 62.300 -0.001 0.000 1.024 85 V CB -0.123 31.704 31.823 0.007 0.000 0.651 85 V HN 0.255 nan 8.190 nan 0.000 0.449 86 E N -0.695 119.510 120.200 0.008 0.000 3.099 86 E HA 0.388 4.738 4.350 -0.000 0.000 0.259 86 E C 0.216 176.817 176.600 0.001 0.000 1.274 86 E CA -0.636 55.774 56.400 0.016 0.000 1.111 86 E CB 0.242 29.967 29.700 0.042 0.000 1.327 86 E HN 0.286 nan 8.360 nan 0.000 0.652 87 R N 0.219 120.743 120.500 0.040 0.000 2.539 87 R HA 0.265 4.605 4.340 -0.000 0.000 0.275 87 R C -0.476 175.772 176.300 -0.086 0.000 1.077 87 R CA -0.546 55.553 56.100 -0.001 0.000 1.097 87 R CB 0.140 30.510 30.300 0.116 0.000 1.018 87 R HN 0.177 nan 8.270 nan 0.000 0.483 88 L N 2.625 123.621 121.223 -0.378 0.000 2.456 88 L HA 0.374 4.714 4.340 -0.000 0.000 0.257 88 L C 0.224 176.879 176.870 -0.358 0.000 1.162 88 L CA 0.201 54.716 54.840 -0.541 0.000 0.808 88 L CB 0.461 41.869 42.059 -1.086 0.000 1.136 88 L HN 0.462 nan 8.230 nan 0.000 0.466 89 I N 0.248 120.753 120.570 -0.109 0.000 2.498 89 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 89 I C -0.602 175.825 176.117 0.516 0.000 1.032 89 I CA -0.482 60.915 61.300 0.161 0.000 1.073 89 I CB 1.529 39.466 38.000 -0.104 0.000 1.251 89 I HN 0.539 nan 8.210 nan 0.000 0.426 90 H N 5.496 124.906 119.070 0.566 0.000 2.541 90 H HA 0.317 4.873 4.556 -0.000 0.000 0.316 90 H C -1.323 174.254 175.328 0.415 0.000 1.043 90 H CA -0.684 55.633 56.048 0.448 0.000 1.232 90 H CB 0.929 30.860 29.762 0.283 0.000 1.406 90 H HN 0.617 nan 8.280 nan 0.000 0.469 91 H N 4.487 123.659 119.070 0.171 0.000 2.541 91 H HA 0.408 4.964 4.556 -0.000 0.000 0.316 91 H C -1.483 173.826 175.328 -0.031 0.000 1.043 91 H CA -0.466 55.627 56.048 0.074 0.000 1.232 91 H CB 0.903 30.716 29.762 0.085 0.000 1.406 91 H HN 0.342 nan 8.280 nan 0.000 0.469 92 V N 5.935 125.701 119.914 -0.247 0.000 2.808 92 V HA 0.268 4.388 4.120 -0.000 0.000 0.308 92 V C -0.786 175.245 176.094 -0.105 0.000 1.099 92 V CA -0.878 61.324 62.300 -0.163 0.000 0.920 92 V CB 1.520 33.177 31.823 -0.276 0.000 1.014 92 V HN 1.020 nan 8.190 nan 0.000 0.425 93 K N 4.668 125.041 120.400 -0.046 0.000 3.077 93 K HA -0.208 4.112 4.320 -0.000 0.000 0.264 93 K C 0.927 177.493 176.600 -0.057 0.000 1.008 93 K CA 1.001 57.279 56.287 -0.014 0.000 0.740 93 K CB -1.738 30.772 32.500 0.017 0.000 1.273 93 K HN 2.050 nan 8.250 nan 0.000 0.477 94 G N -0.333 108.392 108.800 -0.124 0.000 2.148 94 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 94 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 94 G C -0.070 174.673 174.900 -0.262 0.000 0.981 94 G CA 1.011 46.065 45.100 -0.078 0.000 0.670 94 G HN 0.360 nan 8.290 nan 0.000 0.528 95 K N 0.014 120.091 120.400 -0.537 0.000 2.375 95 K HA 0.588 4.908 4.320 -0.000 0.000 0.249 95 K C -0.694 175.560 176.600 -0.577 0.000 0.942 95 K CA -0.590 55.429 56.287 -0.447 0.000 0.806 95 K CB 1.929 34.223 32.500 -0.344 0.000 1.227 95 K HN 0.078 nan 8.250 nan 0.000 0.430 96 S N 1.568 117.055 115.700 -0.355 0.000 2.462 96 S HA 0.430 4.900 4.470 -0.000 0.000 0.294 96 S C -1.240 173.145 174.600 -0.358 0.000 1.144 96 S CA -0.518 57.601 58.200 -0.135 0.000 1.088 96 S CB 0.268 63.504 63.200 0.061 0.000 1.009 96 S HN 0.339 nan 8.310 nan 0.000 0.484 97 Y N 2.466 122.856 120.300 0.151 0.000 2.447 97 Y HA 0.367 4.917 4.550 -0.000 0.000 0.325 97 Y C -2.501 173.607 175.900 0.347 0.000 0.976 97 Y CA -2.442 55.788 58.100 0.218 0.000 1.280 97 Y CB 0.818 39.398 38.460 0.200 0.000 1.104 97 Y HN 0.449 nan 8.280 nan 0.000 0.486 98 P HA 0.284 nan 4.420 nan 0.000 0.272 98 P C -0.834 176.765 177.300 0.499 0.000 1.223 98 P CA -0.041 63.296 63.100 0.394 0.000 0.784 98 P CB 0.678 32.594 31.700 0.361 0.000 0.923 99 F N -1.304 118.770 119.950 0.208 0.000 2.817 99 F HA 0.697 5.224 4.527 -0.000 0.000 0.317 99 F C -1.265 174.613 175.800 0.130 0.000 1.168 99 F CA -1.270 56.838 58.000 0.179 0.000 0.911 99 F CB 1.391 40.505 39.000 0.191 0.000 1.337 99 F HN 0.049 nan 8.300 nan 0.000 0.464 100 R N 0.773 121.397 120.500 0.207 0.000 2.837 100 R HA 0.771 5.111 4.340 -0.000 0.000 0.271 100 R C -0.549 175.885 176.300 0.222 0.000 0.993 100 R CA -0.796 55.338 56.100 0.056 0.000 0.931 100 R CB 1.915 32.252 30.300 0.061 0.000 1.206 100 R HN 1.536 nan 8.270 nan 0.000 0.474 101 G N 1.531 110.398 108.800 0.112 0.000 2.663 101 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 101 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 101 G C -2.152 172.852 174.900 0.175 0.000 1.288 101 G CA -0.844 44.343 45.100 0.145 0.000 0.836 101 G HN 0.437 nan 8.290 nan 0.000 0.584 102 P HA 0.114 nan 4.420 nan 0.000 0.219 102 P C 0.488 177.694 177.300 -0.156 0.000 1.150 102 P CA 1.101 64.104 63.100 -0.162 0.000 0.814 102 P CB 0.102 31.553 31.700 -0.415 0.000 0.787 103 F N 0.482 120.532 119.950 0.167 0.000 2.469 103 F HA 0.458 4.985 4.527 -0.000 0.000 0.332 103 F C -2.114 173.550 175.800 -0.227 0.000 1.103 103 F CA -3.107 54.879 58.000 -0.024 0.000 0.979 103 F CB 0.697 39.486 39.000 -0.351 0.000 1.137 103 F HN -0.325 nan 8.300 nan 0.000 0.463 104 P HA 0.075 nan 4.420 nan 0.000 0.267 104 P C -2.409 174.650 177.300 -0.403 0.000 1.205 104 P CA -0.762 61.696 63.100 -1.071 0.000 0.765 104 P CB -0.170 30.973 31.700 -0.929 0.000 0.828 105 P HA 0.113 nan 4.420 nan 0.000 0.274 105 P C -0.989 176.198 177.300 -0.187 0.000 1.231 105 P CA 0.043 63.044 63.100 -0.165 0.000 0.790 105 P CB 0.722 32.352 31.700 -0.116 0.000 0.951 106 V N 2.018 121.808 119.914 -0.207 0.000 2.531 106 V HA 0.212 4.332 4.120 -0.000 0.000 0.301 106 V C 0.289 176.295 176.094 -0.147 0.000 1.034 106 V CA -0.253 61.947 62.300 -0.167 0.000 0.865 106 V CB 1.611 33.273 31.823 -0.268 0.000 0.995 106 V HN 0.684 nan 8.190 nan 0.000 0.424 107 W N 0.925 122.213 121.300 -0.020 0.000 2.630 107 W HA 0.175 4.835 4.660 0.000 0.000 0.275 107 W C 1.445 177.956 176.519 -0.013 0.000 1.192 107 W CA 0.069 57.400 57.345 -0.023 0.000 1.410 107 W CB 0.226 29.669 29.460 -0.028 0.000 1.075 107 W HN 0.548 nan 8.180 nan 0.000 0.581 108 N N 2.148 120.981 118.700 0.222 0.000 2.411 108 N HA -0.057 4.683 4.740 -0.000 0.000 0.265 108 N C -1.809 173.783 175.510 0.137 0.000 1.266 108 N CA -0.364 52.773 53.050 0.145 0.000 0.889 108 N CB 1.221 39.770 38.487 0.103 0.000 1.069 108 N HN -0.116 nan 8.380 nan 0.000 0.476 109 P HA -0.132 nan 4.420 nan 0.000 0.216 109 P C 1.529 178.909 177.300 0.132 0.000 1.150 109 P CA 0.810 63.971 63.100 0.103 0.000 0.837 109 P CB 0.327 32.061 31.700 0.057 0.000 0.786 110 I N -0.777 119.852 120.570 0.097 0.000 2.163 110 I HA -0.158 4.012 4.170 -0.000 0.000 0.240 110 I C 1.980 178.158 176.117 0.101 0.000 1.081 110 I CA 1.887 63.235 61.300 0.080 0.000 1.353 110 I CB -2.034 36.006 38.000 0.066 0.000 1.054 110 I HN 0.019 nan 8.210 nan 0.000 0.407 111 T N 0.424 115.048 114.554 0.116 0.000 2.759 111 T HA -0.251 4.099 4.350 -0.000 0.000 0.269 111 T C 1.879 176.658 174.700 0.133 0.000 1.042 111 T CA 1.450 63.634 62.100 0.139 0.000 1.140 111 T CB -0.663 68.263 68.868 0.097 0.000 0.864 111 T HN 0.313 nan 8.240 nan 0.000 0.455 112 Y N 1.826 122.122 120.300 -0.006 0.000 2.128 112 Y HA -0.118 4.432 4.550 0.000 0.000 0.284 112 Y C 2.044 177.952 175.900 0.012 0.000 1.154 112 Y CA 1.202 59.280 58.100 -0.037 0.000 1.149 112 Y CB -0.461 37.957 38.460 -0.069 0.000 0.976 112 Y HN 0.108 nan 8.280 nan 0.000 0.505 113 L N -0.202 121.065 121.223 0.073 0.000 2.083 113 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 113 L C 2.143 178.963 176.870 -0.082 0.000 1.083 113 L CA 1.752 56.579 54.840 -0.022 0.000 0.752 113 L CB -0.623 41.447 42.059 0.019 0.000 0.899 113 L HN 0.246 nan 8.230 nan 0.000 0.433 114 D N -0.865 119.526 120.400 -0.014 0.000 2.097 114 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 114 D C 2.193 178.472 176.300 -0.036 0.000 0.984 114 D CA 1.229 55.227 54.000 -0.003 0.000 0.826 114 D CB 0.044 40.882 40.800 0.063 0.000 0.973 114 D HN 0.295 nan 8.370 nan 0.000 0.460 115 H N -0.215 118.768 119.070 -0.145 0.000 2.319 115 H HA -0.117 4.439 4.556 0.000 0.000 0.299 115 H C 2.135 177.385 175.328 -0.130 0.000 1.092 115 H CA 1.203 57.171 56.048 -0.134 0.000 1.302 115 H CB -0.142 29.559 29.762 -0.102 0.000 1.373 115 H HN 0.283 nan 8.280 nan 0.000 0.497 116 N N 1.098 119.690 118.700 -0.179 0.000 2.120 116 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 116 N C 1.814 177.227 175.510 -0.161 0.000 1.024 116 N CA 0.828 53.732 53.050 -0.243 0.000 0.852 116 N CB -0.195 38.031 38.487 -0.434 0.000 1.003 116 N HN 0.407 nan 8.380 nan 0.000 0.424 117 N N -0.055 118.557 118.700 -0.146 0.000 2.188 117 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 117 N C 1.876 177.298 175.510 -0.148 0.000 1.018 117 N CA 0.672 53.642 53.050 -0.132 0.000 0.858 117 N CB -0.267 38.157 38.487 -0.105 0.000 0.989 117 N HN 0.220 nan 8.380 nan 0.000 0.426 118 F N 0.866 120.627 119.950 -0.315 0.000 2.046 118 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 118 F C 1.768 177.288 175.800 -0.467 0.000 1.123 118 F CA 1.748 59.472 58.000 -0.461 0.000 1.199 118 F CB -1.029 37.540 39.000 -0.718 0.000 0.972 118 F HN 0.064 nan 8.300 nan 0.000 0.474 119 W N 0.621 121.470 121.300 -0.752 0.000 2.358 119 W HA -0.107 4.553 4.660 -0.000 0.000 0.303 119 W C 2.852 178.998 176.519 -0.621 0.000 1.208 119 W CA 1.536 58.339 57.345 -0.903 0.000 1.274 119 W CB -0.685 28.285 29.460 -0.817 0.000 1.138 119 W HN -0.035 nan 8.180 nan 0.000 0.515 120 R N 0.107 120.461 120.500 -0.242 0.000 2.083 120 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 120 R C 1.939 178.103 176.300 -0.227 0.000 1.137 120 R CA 2.227 58.199 56.100 -0.213 0.000 0.951 120 R CB -0.670 29.517 30.300 -0.187 0.000 0.851 120 R HN 0.043 nan 8.270 nan 0.000 0.434 121 T N 1.169 115.567 114.554 -0.260 0.000 2.821 121 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 121 T C 1.815 176.351 174.700 -0.273 0.000 1.046 121 T CA 1.199 63.162 62.100 -0.228 0.000 1.139 121 T CB -0.033 68.722 68.868 -0.188 0.000 0.871 121 T HN 0.157 nan 8.240 nan 0.000 0.454 122 M N 1.686 121.050 119.600 -0.394 0.000 2.080 122 M HA -0.109 4.371 4.480 -0.000 0.000 0.260 122 M C 1.821 177.985 176.300 -0.227 0.000 1.068 122 M CA 1.526 56.621 55.300 -0.341 0.000 1.109 122 M CB -1.076 31.249 32.600 -0.458 0.000 1.342 122 M HN 0.188 nan 8.290 nan 0.000 0.405 123 D N 0.348 120.622 120.400 -0.210 0.000 2.149 123 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 123 D C 1.604 177.830 176.300 -0.123 0.000 0.972 123 D CA 0.978 54.886 54.000 -0.154 0.000 0.835 123 D CB -0.290 40.424 40.800 -0.143 0.000 0.966 123 D HN 0.282 nan 8.370 nan 0.000 0.476 124 D N 0.500 120.824 120.400 -0.126 0.000 2.092 124 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 124 D C 2.219 178.502 176.300 -0.030 0.000 0.994 124 D CA 0.879 54.831 54.000 -0.079 0.000 0.828 124 D CB -0.269 40.481 40.800 -0.082 0.000 0.963 124 D HN 0.240 nan 8.370 nan 0.000 0.450 125 M N 0.156 119.710 119.600 -0.077 0.000 2.117 125 M HA -0.055 4.425 4.480 -0.000 0.000 0.262 125 M C 2.368 178.709 176.300 0.067 0.000 1.065 125 M CA 1.662 56.931 55.300 -0.052 0.000 1.114 125 M CB -0.517 31.795 32.600 -0.480 0.000 1.361 125 M HN 0.035 nan 8.290 nan 0.000 0.408 126 G N 0.289 109.068 108.800 -0.035 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 1.625 176.525 174.900 -0.001 0.000 1.130 126 G CA 0.677 45.763 45.100 -0.024 0.000 0.760 126 G HN 0.414 nan 8.290 nan 0.000 0.557 127 R N 0.085 120.579 120.500 -0.009 0.000 2.237 127 R HA 0.004 4.344 4.340 -0.000 0.000 0.219 127 R C 1.740 178.047 176.300 0.011 0.000 1.080 127 R CA 0.779 56.868 56.100 -0.018 0.000 0.995 127 R CB 0.059 30.340 30.300 -0.031 0.000 0.875 127 R HN 0.270 nan 8.270 nan 0.000 0.462 128 E N 0.228 120.475 120.200 0.078 0.000 2.489 128 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 128 E C 0.132 176.757 176.600 0.042 0.000 1.057 128 E CA 0.402 56.842 56.400 0.067 0.000 0.866 128 E CB 0.399 30.177 29.700 0.130 0.000 0.916 128 E HN 0.325 nan 8.360 nan 0.000 0.500 129 I N 2.796 123.407 120.570 0.069 0.000 2.328 129 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 129 I C -2.417 173.701 176.117 0.002 0.000 1.012 129 I CA -2.362 58.975 61.300 0.061 0.000 1.195 129 I CB 1.463 39.566 38.000 0.172 0.000 1.350 129 I HN -0.341 nan 8.210 nan 0.000 0.464 130 P HA 0.120 nan 4.420 nan 0.000 0.267 130 P C 0.493 177.762 177.300 -0.053 0.000 1.205 130 P CA 0.143 63.175 63.100 -0.114 0.000 0.765 130 P CB 0.920 32.498 31.700 -0.204 0.000 0.828 131 S N 2.013 117.699 115.700 -0.023 0.000 2.383 131 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 131 S C 1.264 175.960 174.600 0.160 0.000 1.030 131 S CA 1.790 60.056 58.200 0.109 0.000 1.002 131 S CB -0.579 62.597 63.200 -0.039 0.000 0.829 131 S HN 0.678 nan 8.310 nan 0.000 0.467 132 D N 0.430 120.778 120.400 -0.086 0.000 2.339 132 D HA 0.265 4.905 4.640 -0.000 0.000 0.217 132 D C 0.286 176.356 176.300 -0.382 0.000 1.050 132 D CA 0.325 54.227 54.000 -0.164 0.000 0.856 132 D CB 0.098 40.738 40.800 -0.267 0.000 0.922 132 D HN 0.273 nan 8.370 nan 0.000 0.518 133 A N 1.178 123.615 122.820 -0.639 0.000 3.330 133 A HA 0.342 4.662 4.320 -0.000 0.000 0.256 133 A C -2.144 174.644 177.584 -1.326 0.000 1.185 133 A CA -0.750 50.436 52.037 -1.418 0.000 0.940 133 A CB 0.837 19.303 19.000 -0.891 0.000 1.397 133 A HN -0.097 nan 8.150 nan 0.000 0.678 134 P HA -0.175 nan 4.420 nan 0.000 0.219 134 P C 1.248 178.349 177.300 -0.331 0.000 1.146 134 P CA 1.449 64.243 63.100 -0.510 0.000 0.808 134 P CB -0.337 31.054 31.700 -0.515 0.000 0.779 135 W N 1.039 122.269 121.300 -0.117 0.000 2.538 135 W HA 0.084 4.744 4.660 0.000 0.000 0.254 135 W C 1.319 177.794 176.519 -0.073 0.000 1.249 135 W CA 0.436 57.732 57.345 -0.083 0.000 1.253 135 W CB -1.480 27.927 29.460 -0.088 0.000 1.130 135 W HN -0.100 nan 8.180 nan 0.000 0.618 136 K N 0.843 121.063 120.400 -0.299 0.000 2.404 136 K HA 0.306 4.626 4.320 -0.000 0.000 0.194 136 K C 1.059 177.570 176.600 -0.148 0.000 1.023 136 K CA 0.218 56.405 56.287 -0.166 0.000 1.094 136 K CB -0.069 32.297 32.500 -0.224 0.000 0.841 136 K HN 0.100 nan 8.250 nan 0.000 0.523 137 A N 2.454 125.182 122.820 -0.154 0.000 2.565 137 A HA 0.056 4.376 4.320 -0.000 0.000 0.237 137 A C -1.598 175.853 177.584 -0.222 0.000 1.053 137 A CA -0.936 51.000 52.037 -0.168 0.000 0.755 137 A CB 0.058 18.972 19.000 -0.144 0.000 0.980 137 A HN -0.004 nan 8.150 nan 0.000 0.506 138 P HA -0.136 nan 4.420 nan 0.000 0.216 138 P C 0.487 177.590 177.300 -0.328 0.000 1.150 138 P CA 1.259 64.217 63.100 -0.237 0.000 0.843 138 P CB 0.040 31.615 31.700 -0.207 0.000 0.787 139 L N -2.235 118.629 121.223 -0.599 0.000 2.984 139 L HA 0.360 4.700 4.340 -0.000 0.000 0.246 139 L C 1.821 178.286 176.870 -0.675 0.000 1.268 139 L CA -0.328 54.070 54.840 -0.737 0.000 1.054 139 L CB -0.466 40.899 42.059 -1.158 0.000 1.393 139 L HN -0.106 nan 8.230 nan 0.000 0.532 140 A N 0.500 123.107 122.820 -0.355 0.000 1.892 140 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 140 A C 2.194 179.775 177.584 -0.004 0.000 1.188 140 A CA 1.791 53.760 52.037 -0.114 0.000 0.631 140 A CB -0.162 18.825 19.000 -0.023 0.000 0.822 140 A HN 0.520 nan 8.150 nan 0.000 0.447 141 E N -0.944 119.239 120.200 -0.028 0.000 2.047 141 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 141 E C 2.141 178.778 176.600 0.062 0.000 0.987 141 E CA 1.185 57.602 56.400 0.028 0.000 0.799 141 E CB -0.234 29.469 29.700 0.006 0.000 0.752 141 E HN 0.835 nan 8.360 nan 0.000 0.449 142 E N 0.219 120.429 120.200 0.017 0.000 2.070 142 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 142 E C 1.747 178.519 176.600 0.288 0.000 1.004 142 E CA 1.364 57.824 56.400 0.100 0.000 0.805 142 E CB -0.034 29.689 29.700 0.038 0.000 0.744 142 E HN 0.281 nan 8.360 nan 0.000 0.451 143 W N 0.925 122.266 121.300 0.069 0.000 2.436 143 W HA -0.017 4.643 4.660 0.000 0.000 0.284 143 W C 1.939 178.528 176.519 0.117 0.000 1.225 143 W CA 0.729 58.127 57.345 0.089 0.000 1.271 143 W CB -1.003 28.511 29.460 0.089 0.000 1.114 143 W HN 0.235 nan 8.180 nan 0.000 0.559 144 D N -0.284 120.314 120.400 0.330 0.000 2.269 144 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 144 D C 1.224 177.650 176.300 0.211 0.000 0.963 144 D CA 0.910 55.069 54.000 0.264 0.000 0.864 144 D CB -0.215 40.716 40.800 0.219 0.000 0.936 144 D HN -0.114 nan 8.370 nan 0.000 0.505 145 N N -0.352 118.457 118.700 0.182 0.000 2.370 145 N HA 0.105 4.845 4.740 -0.000 0.000 0.198 145 N C -0.246 175.342 175.510 0.131 0.000 1.156 145 N CA 0.119 53.252 53.050 0.138 0.000 0.839 145 N CB 0.254 38.806 38.487 0.108 0.000 0.989 145 N HN 0.308 nan 8.380 nan 0.000 0.468 146 M N 0.223 119.917 119.600 0.155 0.000 2.465 146 M HA 0.216 4.696 4.480 -0.000 0.000 0.316 146 M C -0.221 176.155 176.300 0.127 0.000 1.121 146 M CA -0.595 54.781 55.300 0.127 0.000 0.934 146 M CB 1.852 34.534 32.600 0.136 0.000 1.692 146 M HN 0.016 nan 8.290 nan 0.000 0.444 147 T N 0.497 115.107 114.554 0.094 0.000 2.816 147 T HA 0.228 4.578 4.350 -0.000 0.000 0.282 147 T C 1.158 175.887 174.700 0.049 0.000 0.993 147 T CA -0.834 61.317 62.100 0.086 0.000 0.994 147 T CB 0.824 69.734 68.868 0.071 0.000 1.025 147 T HN 0.687 nan 8.240 nan 0.000 0.529 148 M N 0.231 119.842 119.600 0.017 0.000 2.213 148 M HA -0.020 4.460 4.480 -0.000 0.000 0.263 148 M C 2.150 178.403 176.300 -0.079 0.000 1.062 148 M CA 1.593 56.858 55.300 -0.059 0.000 1.105 148 M CB -1.385 31.094 32.600 -0.202 0.000 1.385 148 M HN 0.878 nan 8.290 nan 0.000 0.417 149 K N 0.798 121.164 120.400 -0.056 0.000 2.026 149 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 149 K C 1.692 178.265 176.600 -0.045 0.000 1.048 149 K CA 1.731 57.989 56.287 -0.047 0.000 0.929 149 K CB -0.050 32.458 32.500 0.013 0.000 0.713 149 K HN 0.380 nan 8.250 nan 0.000 0.439 150 E N 0.236 120.424 120.200 -0.019 0.000 2.058 150 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 150 E C 2.023 178.603 176.600 -0.033 0.000 0.997 150 E CA 1.320 57.708 56.400 -0.020 0.000 0.801 150 E CB -0.233 29.473 29.700 0.009 0.000 0.746 150 E HN 0.227 nan 8.360 nan 0.000 0.450 151 L N 1.173 122.377 121.223 -0.031 0.000 2.017 151 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 151 L C 2.090 178.925 176.870 -0.058 0.000 1.073 151 L CA 1.569 56.382 54.840 -0.046 0.000 0.745 151 L CB -0.351 41.673 42.059 -0.059 0.000 0.894 151 L HN 0.123 nan 8.230 nan 0.000 0.432 152 L N -0.816 120.359 121.223 -0.080 0.000 2.046 152 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 152 L C 2.264 179.051 176.870 -0.139 0.000 1.077 152 L CA 1.367 56.129 54.840 -0.130 0.000 0.747 152 L CB -0.966 40.978 42.059 -0.192 0.000 0.896 152 L HN 0.281 nan 8.230 nan 0.000 0.432 153 D N 0.150 120.477 120.400 -0.122 0.000 2.149 153 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 153 D C 2.161 178.365 176.300 -0.159 0.000 0.990 153 D CA 1.261 55.178 54.000 -0.138 0.000 0.839 153 D CB 0.028 40.761 40.800 -0.111 0.000 0.948 153 D HN 0.219 nan 8.370 nan 0.000 0.460 154 K N -0.130 120.206 120.400 -0.108 0.000 2.062 154 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 154 K C 2.188 178.766 176.600 -0.037 0.000 1.051 154 K CA 0.389 56.626 56.287 -0.084 0.000 0.941 154 K CB 0.037 32.519 32.500 -0.030 0.000 0.719 154 K HN 0.054 nan 8.250 nan 0.000 0.440 155 L N 0.257 121.473 121.223 -0.012 0.000 2.162 155 L HA -0.006 4.334 4.340 -0.000 0.000 0.205 155 L C 0.280 177.226 176.870 0.127 0.000 1.086 155 L CA 0.112 54.994 54.840 0.071 0.000 0.778 155 L CB 0.355 42.441 42.059 0.045 0.000 0.928 155 L HN 0.198 nan 8.230 nan 0.000 0.446 156 C N -0.365 118.923 119.300 -0.020 0.000 2.281 156 C HA 0.092 4.552 4.460 -0.000 0.000 0.336 156 C C 0.745 175.730 174.990 -0.007 0.000 1.217 156 C CA -0.971 58.020 59.018 -0.045 0.000 1.730 156 C CB -0.942 26.659 27.740 -0.232 0.000 2.338 156 C HN 0.481 nan 8.230 nan 0.000 0.521 157 W N 1.950 123.192 121.300 -0.097 0.000 3.256 157 W HA 0.131 4.791 4.660 -0.000 0.000 0.269 157 W C 1.394 177.881 176.519 -0.053 0.000 1.310 157 W CA 0.106 57.414 57.345 -0.062 0.000 1.673 157 W CB -0.127 29.308 29.460 -0.041 0.000 1.115 157 W HN 0.676 nan 8.180 nan 0.000 0.686 158 T N -3.800 110.817 114.554 0.104 0.000 2.887 158 T HA 0.294 4.644 4.350 -0.000 0.000 0.288 158 T C 0.821 175.507 174.700 -0.024 0.000 1.021 158 T CA -0.649 61.482 62.100 0.053 0.000 1.000 158 T CB 2.616 71.538 68.868 0.091 0.000 1.034 158 T HN -0.231 nan 8.240 nan 0.000 0.467 159 E N 1.089 121.279 120.200 -0.015 0.000 2.153 159 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 159 E C 2.127 178.710 176.600 -0.028 0.000 0.988 159 E CA 1.292 57.670 56.400 -0.036 0.000 0.811 159 E CB -0.372 29.319 29.700 -0.016 0.000 0.746 159 E HN 0.740 nan 8.360 nan 0.000 0.466 160 S N 0.458 116.177 115.700 0.032 0.000 2.359 160 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 160 S C 2.069 176.679 174.600 0.016 0.000 1.035 160 S CA 1.610 59.881 58.200 0.118 0.000 1.018 160 S CB -0.083 63.260 63.200 0.238 0.000 0.876 160 S HN 0.302 nan 8.310 nan 0.000 0.448 161 A N 1.251 123.947 122.820 -0.206 0.000 1.898 161 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 161 A C 2.182 179.393 177.584 -0.622 0.000 1.181 161 A CA 1.751 53.340 52.037 -0.746 0.000 0.620 161 A CB -0.740 17.866 19.000 -0.658 0.000 0.819 161 A HN 0.638 nan 8.150 nan 0.000 0.442 162 K N -0.473 119.690 120.400 -0.395 0.000 2.057 162 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 162 K C 2.239 178.672 176.600 -0.279 0.000 1.049 162 K CA 1.758 57.829 56.287 -0.361 0.000 0.931 162 K CB -0.192 32.169 32.500 -0.231 0.000 0.714 162 K HN 0.635 nan 8.250 nan 0.000 0.440 163 Q N 0.275 119.977 119.800 -0.163 0.000 2.050 163 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 163 Q C 2.109 178.084 176.000 -0.042 0.000 0.980 163 Q CA 1.454 57.221 55.803 -0.059 0.000 0.840 163 Q CB -0.109 28.642 28.738 0.022 0.000 0.898 163 Q HN 0.224 nan 8.270 nan 0.000 0.424 164 L N 0.376 121.549 121.223 -0.085 0.000 2.056 164 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 164 L C 2.098 178.879 176.870 -0.149 0.000 1.078 164 L CA 1.926 56.756 54.840 -0.017 0.000 0.749 164 L CB -0.803 41.271 42.059 0.025 0.000 0.901 164 L HN 0.129 nan 8.230 nan 0.000 0.433 165 A N -1.567 120.927 122.820 -0.543 0.000 1.933 165 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 165 A C 2.252 179.698 177.584 -0.230 0.000 1.175 165 A CA 2.277 53.870 52.037 -0.740 0.000 0.628 165 A CB -1.159 16.924 19.000 -1.527 0.000 0.814 165 A HN 0.501 nan 8.150 nan 0.000 0.444 166 T N 0.077 114.511 114.554 -0.200 0.000 2.708 166 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 166 T C 1.876 176.575 174.700 -0.001 0.000 1.037 166 T CA 1.351 63.387 62.100 -0.106 0.000 1.146 166 T CB -0.408 68.409 68.868 -0.086 0.000 0.865 166 T HN 0.406 nan 8.240 nan 0.000 0.435 167 L N 0.196 121.467 121.223 0.080 0.000 2.042 167 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 167 L C 2.244 179.262 176.870 0.246 0.000 1.076 167 L CA 1.568 56.517 54.840 0.181 0.000 0.749 167 L CB -0.414 41.801 42.059 0.261 0.000 0.893 167 L HN 0.200 nan 8.230 nan 0.000 0.432 168 F N -0.206 119.823 119.950 0.133 0.000 2.091 168 F HA -0.269 4.258 4.527 0.000 0.000 0.299 168 F C 2.119 178.053 175.800 0.224 0.000 1.103 168 F CA 2.187 60.327 58.000 0.233 0.000 1.228 168 F CB -0.647 38.504 39.000 0.252 0.000 0.984 168 F HN -0.112 nan 8.300 nan 0.000 0.477 169 V N 0.899 120.792 119.914 -0.034 0.000 2.261 169 V HA -0.355 3.765 4.120 -0.000 0.000 0.246 169 V C 2.036 178.028 176.094 -0.170 0.000 1.047 169 V CA 2.443 64.543 62.300 -0.333 0.000 1.015 169 V CB -1.063 30.410 31.823 -0.582 0.000 0.642 169 V HN 0.408 nan 8.190 nan 0.000 0.446 170 N N 0.135 118.775 118.700 -0.100 0.000 2.094 170 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 170 N C 1.752 177.234 175.510 -0.048 0.000 1.023 170 N CA 1.418 54.426 53.050 -0.070 0.000 0.857 170 N CB -0.235 38.253 38.487 0.002 0.000 1.013 170 N HN 0.338 nan 8.380 nan 0.000 0.426 171 L N 0.727 121.964 121.223 0.023 0.000 2.109 171 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 171 L C 2.060 178.970 176.870 0.067 0.000 1.086 171 L CA 1.407 56.280 54.840 0.055 0.000 0.760 171 L CB -0.520 41.605 42.059 0.110 0.000 0.910 171 L HN 0.222 nan 8.230 nan 0.000 0.437 172 C N -1.335 117.971 119.300 0.010 0.000 2.446 172 C HA -0.029 4.431 4.460 -0.000 0.000 0.277 172 C C 2.212 177.274 174.990 0.120 0.000 1.275 172 C CA 1.015 60.083 59.018 0.083 0.000 1.727 172 C CB -0.540 27.172 27.740 -0.047 0.000 2.010 172 C HN 0.568 nan 8.230 nan 0.000 0.486 173 V N -1.971 117.929 119.914 -0.024 0.000 3.199 173 V HA 0.301 4.421 4.120 -0.000 0.000 0.331 173 V C 0.736 176.687 176.094 -0.237 0.000 1.446 173 V CA 0.769 63.012 62.300 -0.095 0.000 1.120 173 V CB -1.306 30.587 31.823 0.117 0.000 1.051 173 V HN 0.532 nan 8.190 nan 0.000 0.495 174 T N -1.369 112.960 114.554 -0.374 0.000 3.760 174 T HA -0.092 4.258 4.350 -0.000 0.000 0.366 174 T C 0.165 174.706 174.700 -0.266 0.000 0.761 174 T CA 1.364 63.237 62.100 -0.378 0.000 1.887 174 T CB -2.552 65.968 68.868 -0.580 0.000 1.811 174 T HN 2.443 nan 8.240 nan 0.000 0.749 175 A N -0.310 122.341 122.820 -0.283 0.000 2.594 175 A HA 0.734 5.054 4.320 -0.000 0.000 0.291 175 A C -0.377 176.999 177.584 -0.346 0.000 1.105 175 A CA -1.068 50.727 52.037 -0.404 0.000 0.694 175 A CB 1.244 19.765 19.000 -0.799 0.000 1.291 175 A HN 0.339 nan 8.150 nan 0.000 0.410 176 E N 0.405 120.356 120.200 -0.414 0.000 2.349 176 E HA 0.249 4.599 4.350 -0.000 0.000 0.262 176 E C 1.232 177.532 176.600 -0.500 0.000 1.088 176 E CA 0.522 56.647 56.400 -0.459 0.000 0.899 176 E CB 0.858 30.105 29.700 -0.755 0.000 1.044 176 E HN 0.798 nan 8.360 nan 0.000 0.420 177 T N -1.532 112.793 114.554 -0.382 0.000 2.833 177 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 177 T C 1.462 176.037 174.700 -0.209 0.000 1.054 177 T CA 1.586 63.517 62.100 -0.281 0.000 1.135 177 T CB -0.380 68.371 68.868 -0.196 0.000 0.869 177 T HN 0.617 nan 8.240 nan 0.000 0.466 178 H N 0.734 119.747 119.070 -0.096 0.000 2.547 178 H HA 0.228 4.784 4.556 -0.000 0.000 0.272 178 H C 1.485 176.785 175.328 -0.045 0.000 0.989 178 H CA 0.873 56.884 56.048 -0.062 0.000 1.214 178 H CB -0.218 29.508 29.762 -0.060 0.000 1.389 178 H HN 0.508 nan 8.280 nan 0.000 0.577 179 E N 1.381 121.393 120.200 -0.313 0.000 2.230 179 E HA 0.036 4.386 4.350 -0.000 0.000 0.192 179 E C 0.834 177.406 176.600 -0.046 0.000 0.987 179 E CA 0.517 56.819 56.400 -0.164 0.000 0.841 179 E CB 0.715 30.177 29.700 -0.396 0.000 0.783 179 E HN 0.369 nan 8.360 nan 0.000 0.481 180 V N -1.069 118.810 119.914 -0.059 0.000 2.667 180 V HA 0.413 4.533 4.120 -0.000 0.000 0.308 180 V C 0.003 176.238 176.094 0.235 0.000 1.048 180 V CA -1.178 61.199 62.300 0.128 0.000 0.928 180 V CB 1.856 33.800 31.823 0.202 0.000 1.004 180 V HN -0.034 nan 8.190 nan 0.000 0.444 181 S N 3.240 119.155 115.700 0.359 0.000 2.549 181 S HA 0.425 4.895 4.470 -0.000 0.000 0.286 181 S C 1.432 176.282 174.600 0.415 0.000 1.314 181 S CA 0.209 58.632 58.200 0.371 0.000 1.062 181 S CB 0.925 64.383 63.200 0.429 0.000 0.865 181 S HN 1.744 nan 8.310 nan 0.000 0.498 182 A N 4.889 127.884 122.820 0.293 0.000 1.898 182 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 182 A C 2.024 179.789 177.584 0.302 0.000 1.181 182 A CA 1.539 53.723 52.037 0.245 0.000 0.620 182 A CB -0.926 18.140 19.000 0.109 0.000 0.819 182 A HN 0.946 nan 8.150 nan 0.000 0.442 183 L N -1.393 120.050 121.223 0.365 0.000 2.012 183 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 183 L C 2.239 179.347 176.870 0.396 0.000 1.073 183 L CA 2.601 57.687 54.840 0.410 0.000 0.748 183 L CB -0.776 41.526 42.059 0.405 0.000 0.891 183 L HN 0.663 nan 8.230 nan 0.000 0.431 184 W N -0.573 120.895 121.300 0.279 0.000 2.355 184 W HA -0.296 4.364 4.660 0.000 0.000 0.309 184 W C 2.373 179.159 176.519 0.444 0.000 1.206 184 W CA 2.011 59.541 57.345 0.308 0.000 1.284 184 W CB -0.696 28.923 29.460 0.265 0.000 1.145 184 W HN 0.292 nan 8.180 nan 0.000 0.502 185 F N 0.713 120.731 119.950 0.113 0.000 2.134 185 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 185 F C 2.081 177.810 175.800 -0.118 0.000 1.097 185 F CA 2.116 59.996 58.000 -0.201 0.000 1.264 185 F CB -0.655 38.361 39.000 0.025 0.000 1.001 185 F HN -0.167 nan 8.300 nan 0.000 0.479 186 L N -1.331 119.915 121.223 0.038 0.000 2.083 186 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 186 L C 2.287 179.095 176.870 -0.104 0.000 1.083 186 L CA 1.593 56.398 54.840 -0.059 0.000 0.752 186 L CB -1.007 41.049 42.059 -0.005 0.000 0.899 186 L HN 0.438 nan 8.230 nan 0.000 0.433 187 W N 0.068 121.253 121.300 -0.192 0.000 2.355 187 W HA -0.313 4.348 4.660 0.000 0.000 0.309 187 W C 2.634 178.952 176.519 -0.335 0.000 1.206 187 W CA 1.587 58.801 57.345 -0.219 0.000 1.284 187 W CB -0.629 28.732 29.460 -0.164 0.000 1.145 187 W HN 0.113 nan 8.180 nan 0.000 0.502 188 Y N 0.625 120.490 120.300 -0.725 0.000 2.128 188 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 188 Y C 2.381 177.744 175.900 -0.895 0.000 1.154 188 Y CA 3.063 60.531 58.100 -1.054 0.000 1.149 188 Y CB -0.819 36.980 38.460 -1.101 0.000 0.976 188 Y HN -0.142 nan 8.280 nan 0.000 0.505 189 V N 0.901 120.417 119.914 -0.664 0.000 2.295 189 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 189 V C 2.321 178.106 176.094 -0.514 0.000 1.049 189 V CA 2.266 64.255 62.300 -0.519 0.000 1.024 189 V CB -0.842 30.766 31.823 -0.359 0.000 0.648 189 V HN 0.396 nan 8.190 nan 0.000 0.447 190 K N 2.297 122.412 120.400 -0.475 0.000 2.063 190 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 190 K C 1.935 178.221 176.600 -0.524 0.000 1.048 190 K CA 2.364 58.409 56.287 -0.403 0.000 0.928 190 K CB -0.665 31.670 32.500 -0.274 0.000 0.713 190 K HN 0.617 nan 8.250 nan 0.000 0.442 191 Q N -0.751 118.589 119.800 -0.767 0.000 2.482 191 Q HA 0.079 4.419 4.340 -0.000 0.000 0.209 191 Q C 1.055 176.554 176.000 -0.836 0.000 0.961 191 Q CA 1.025 56.377 55.803 -0.752 0.000 0.945 191 Q CB -0.491 27.637 28.738 -1.016 0.000 1.012 191 Q HN 0.315 nan 8.270 nan 0.000 0.515 192 C N 0.095 118.760 119.300 -1.057 0.000 2.754 192 C HA 0.620 5.080 4.460 -0.000 0.000 0.276 192 C C 1.551 175.817 174.990 -1.206 0.000 1.264 192 C CA 0.141 58.145 59.018 -1.689 0.000 1.700 192 C CB -0.835 25.915 27.740 -1.650 0.000 1.885 192 C HN 0.830 nan 8.230 nan 0.000 0.607 193 G N 0.164 108.582 108.800 -0.637 0.000 2.175 193 G HA2 0.273 4.233 3.960 -0.000 0.000 0.244 193 G HA3 0.273 4.233 3.960 -0.000 0.000 0.244 193 G C 0.479 175.232 174.900 -0.245 0.000 0.982 193 G CA 0.051 44.949 45.100 -0.337 0.000 0.641 193 G HN 1.648 nan 8.290 nan 0.000 0.527 194 G N -2.122 106.512 108.800 -0.277 0.000 2.498 194 G HA2 0.344 4.304 3.960 -0.000 0.000 0.651 194 G HA3 0.344 4.304 3.960 -0.000 0.000 0.651 194 G C 0.980 175.852 174.900 -0.046 0.000 1.284 194 G CA 1.000 46.006 45.100 -0.157 0.000 0.950 194 G HN 1.825 nan 8.290 nan 0.000 0.511 195 T N -3.012 111.555 114.554 0.020 0.000 2.737 195 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 195 T C 2.349 177.186 174.700 0.228 0.000 1.038 195 T CA 2.917 65.110 62.100 0.155 0.000 1.144 195 T CB -0.809 68.104 68.868 0.075 0.000 0.866 195 T HN 0.926 nan 8.240 nan 0.000 0.434 196 T N 1.412 116.068 114.554 0.171 0.000 2.708 196 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 196 T C 2.128 176.886 174.700 0.097 0.000 1.037 196 T CA 1.571 63.782 62.100 0.185 0.000 1.146 196 T CB -0.335 68.617 68.868 0.138 0.000 0.865 196 T HN 0.308 nan 8.240 nan 0.000 0.435 197 R N 0.926 121.464 120.500 0.063 0.000 2.081 197 R HA 0.105 4.445 4.340 -0.000 0.000 0.235 197 R C 2.224 178.604 176.300 0.134 0.000 1.131 197 R CA 1.269 57.411 56.100 0.071 0.000 0.960 197 R CB -0.871 29.439 30.300 0.017 0.000 0.856 197 R HN 0.465 nan 8.270 nan 0.000 0.436 198 I N -0.730 119.904 120.570 0.107 0.000 2.353 198 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 198 I C 1.313 177.607 176.117 0.294 0.000 1.119 198 I CA 0.998 62.409 61.300 0.185 0.000 1.417 198 I CB 0.005 38.069 38.000 0.108 0.000 1.078 198 I HN 0.204 nan 8.210 nan 0.000 0.421 199 F N 0.655 120.674 119.950 0.114 0.000 2.664 199 F HA 0.199 4.726 4.527 -0.000 0.000 0.296 199 F C 1.403 177.130 175.800 -0.123 0.000 1.125 199 F CA -0.085 57.933 58.000 0.031 0.000 1.444 199 F CB 0.055 39.028 39.000 -0.045 0.000 1.114 199 F HN -0.158 nan 8.300 nan 0.000 0.576 200 S N -0.020 115.618 115.700 -0.102 0.000 2.584 200 S HA 0.193 4.663 4.470 -0.000 0.000 0.273 200 S C 1.081 175.579 174.600 -0.170 0.000 1.311 200 S CA -0.182 57.908 58.200 -0.183 0.000 1.034 200 S CB 1.639 64.777 63.200 -0.104 0.000 0.939 200 S HN 0.182 nan 8.310 nan 0.000 0.513 201 T N 2.154 116.596 114.554 -0.186 0.000 2.896 201 T HA 0.032 4.382 4.350 -0.000 0.000 0.238 201 T C 0.597 175.227 174.700 -0.118 0.000 1.045 201 T CA 0.624 62.626 62.100 -0.164 0.000 1.248 201 T CB -0.350 68.416 68.868 -0.169 0.000 0.955 201 T HN 0.606 nan 8.240 nan 0.000 0.416 202 T N 3.512 118.007 114.554 -0.099 0.000 2.871 202 T HA 0.103 4.453 4.350 -0.000 0.000 0.296 202 T C 0.708 175.372 174.700 -0.059 0.000 0.998 202 T CA 0.370 62.429 62.100 -0.069 0.000 1.162 202 T CB -0.130 68.706 68.868 -0.054 0.000 0.947 202 T HN 0.511 nan 8.240 nan 0.000 0.536 203 N N 0.730 119.401 118.700 -0.047 0.000 2.741 203 N HA -0.150 4.590 4.740 -0.000 0.000 0.251 203 N C 0.154 175.655 175.510 -0.014 0.000 1.112 203 N CA 1.456 54.489 53.050 -0.028 0.000 0.750 203 N CB -1.042 37.437 38.487 -0.014 0.000 1.119 203 N HN 0.960 nan 8.380 nan 0.000 0.561 204 G N -3.218 105.562 108.800 -0.033 0.000 2.975 204 G HA2 0.563 4.523 3.960 -0.000 0.000 0.291 204 G HA3 0.563 4.523 3.960 -0.000 0.000 0.291 204 G C 0.968 175.843 174.900 -0.041 0.000 1.334 204 G CA -0.015 45.090 45.100 0.009 0.000 0.843 204 G HN 0.281 nan 8.290 nan 0.000 0.548 205 G N -0.895 107.922 108.800 0.028 0.000 2.479 205 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.220 205 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.220 205 G C 1.195 176.023 174.900 -0.119 0.000 1.115 205 G CA 1.002 46.030 45.100 -0.120 0.000 0.757 205 G HN 0.406 nan 8.290 nan 0.000 0.560 206 Q N -0.406 119.310 119.800 -0.141 0.000 2.204 206 Q HA 0.267 4.607 4.340 -0.000 0.000 0.209 206 Q C 1.709 177.599 176.000 -0.182 0.000 0.861 206 Q CA -0.102 55.544 55.803 -0.262 0.000 0.971 206 Q CB 0.657 29.131 28.738 -0.439 0.000 1.095 206 Q HN 0.638 nan 8.270 nan 0.000 0.486 207 E N 0.472 120.589 120.200 -0.139 0.000 2.110 207 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 207 E C -0.044 176.476 176.600 -0.134 0.000 0.988 207 E CA 0.796 57.120 56.400 -0.127 0.000 0.804 207 E CB 0.426 30.053 29.700 -0.121 0.000 0.745 207 E HN 0.158 nan 8.360 nan 0.000 0.458 208 R N -0.873 119.530 120.500 -0.161 0.000 2.836 208 R HA 0.447 4.787 4.340 -0.000 0.000 0.269 208 R C -0.986 175.097 176.300 -0.362 0.000 1.010 208 R CA -0.767 55.158 56.100 -0.292 0.000 0.930 208 R CB 2.030 32.138 30.300 -0.321 0.000 1.218 208 R HN -0.155 nan 8.270 nan 0.000 0.473 209 K N 0.837 120.860 120.400 -0.627 0.000 2.444 209 K HA 0.416 4.736 4.320 -0.000 0.000 0.252 209 K C -1.001 175.291 176.600 -0.514 0.000 0.993 209 K CA -0.801 55.133 56.287 -0.590 0.000 0.847 209 K CB 1.613 33.826 32.500 -0.478 0.000 1.340 209 K HN 0.233 nan 8.250 nan 0.000 0.446 210 F N 1.102 120.994 119.950 -0.097 0.000 2.427 210 F HA 0.097 4.624 4.527 -0.000 0.000 0.352 210 F C 0.670 176.535 175.800 0.109 0.000 1.100 210 F CA -0.889 57.104 58.000 -0.011 0.000 1.191 210 F CB 0.880 39.847 39.000 -0.054 0.000 1.128 210 F HN 0.023 nan 8.300 nan 0.000 0.533 211 V N 3.848 123.971 119.914 0.349 0.000 2.493 211 V HA 0.214 4.334 4.120 -0.000 0.000 0.292 211 V C 0.951 176.953 176.094 -0.153 0.000 1.016 211 V CA 1.261 63.679 62.300 0.196 0.000 1.097 211 V CB 0.138 32.050 31.823 0.148 0.000 0.947 211 V HN 1.110 nan 8.190 nan 0.000 0.479 212 G N 3.345 111.678 108.800 -0.777 0.000 2.217 212 G HA2 0.127 4.087 3.960 -0.000 0.000 0.246 212 G HA3 0.127 4.087 3.960 -0.000 0.000 0.246 212 G C 0.806 175.201 174.900 -0.843 0.000 0.990 212 G CA -0.060 44.322 45.100 -1.196 0.000 0.627 212 G HN 2.421 nan 8.290 nan 0.000 0.522 213 G N -1.463 107.133 108.800 -0.340 0.000 2.650 213 G HA2 0.373 4.333 3.960 -0.000 0.000 0.686 213 G HA3 0.373 4.333 3.960 -0.000 0.000 0.686 213 G C 0.795 175.704 174.900 0.014 0.000 1.205 213 G CA 0.859 45.945 45.100 -0.024 0.000 0.781 213 G HN 1.876 nan 8.290 nan 0.000 0.648 214 S N -0.148 115.611 115.700 0.099 0.000 2.461 214 S HA 0.154 4.624 4.470 -0.000 0.000 0.228 214 S C 2.501 177.083 174.600 -0.031 0.000 1.005 214 S CA 1.579 59.829 58.200 0.083 0.000 0.942 214 S CB 0.039 63.355 63.200 0.193 0.000 0.776 214 S HN 2.155 nan 8.310 nan 0.000 0.514 215 G N 1.385 110.181 108.800 -0.006 0.000 2.479 215 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 215 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 215 G C 1.438 176.308 174.900 -0.051 0.000 1.115 215 G CA 0.586 45.687 45.100 0.002 0.000 0.757 215 G HN 0.625 nan 8.290 nan 0.000 0.560 216 Q N -0.211 119.524 119.800 -0.108 0.000 2.234 216 Q HA -0.069 4.271 4.340 -0.000 0.000 0.206 216 Q C 2.733 178.637 176.000 -0.161 0.000 0.980 216 Q CA 1.012 56.731 55.803 -0.140 0.000 0.869 216 Q CB -0.169 28.460 28.738 -0.183 0.000 0.912 216 Q HN 0.446 nan 8.270 nan 0.000 0.436 217 V N 0.173 119.964 119.914 -0.204 0.000 2.261 217 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 217 V C 2.140 178.170 176.094 -0.106 0.000 1.047 217 V CA 2.113 64.296 62.300 -0.196 0.000 1.015 217 V CB -0.614 31.076 31.823 -0.222 0.000 0.642 217 V HN 0.286 nan 8.190 nan 0.000 0.446 218 S N -0.731 114.930 115.700 -0.065 0.000 2.383 218 S HA -0.195 4.275 4.470 -0.000 0.000 0.227 218 S C 1.925 176.504 174.600 -0.036 0.000 1.026 218 S CA 1.481 59.662 58.200 -0.033 0.000 0.981 218 S CB -0.262 62.940 63.200 0.003 0.000 0.818 218 S HN 0.677 nan 8.310 nan 0.000 0.472 219 E N 1.002 121.179 120.200 -0.038 0.000 2.051 219 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 219 E C 2.368 178.938 176.600 -0.051 0.000 0.991 219 E CA 0.954 57.333 56.400 -0.036 0.000 0.799 219 E CB -0.086 29.592 29.700 -0.036 0.000 0.748 219 E HN 0.350 nan 8.360 nan 0.000 0.449 220 R N 0.207 120.666 120.500 -0.068 0.000 2.115 220 R HA -0.046 4.294 4.340 -0.000 0.000 0.230 220 R C 2.346 178.607 176.300 -0.065 0.000 1.111 220 R CA 0.835 56.894 56.100 -0.069 0.000 0.976 220 R CB -0.182 30.068 30.300 -0.084 0.000 0.870 220 R HN 0.227 nan 8.270 nan 0.000 0.445 221 I N 0.617 121.147 120.570 -0.067 0.000 2.252 221 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 221 I C 2.659 178.731 176.117 -0.076 0.000 1.102 221 I CA 1.119 62.378 61.300 -0.067 0.000 1.385 221 I CB -0.192 37.773 38.000 -0.058 0.000 1.064 221 I HN 0.202 nan 8.210 nan 0.000 0.414 222 M N 0.958 120.520 119.600 -0.062 0.000 2.108 222 M HA -0.269 4.211 4.480 -0.000 0.000 0.261 222 M C 1.685 177.947 176.300 -0.064 0.000 1.066 222 M CA 2.019 57.283 55.300 -0.060 0.000 1.107 222 M CB -0.234 32.342 32.600 -0.041 0.000 1.356 222 M HN 0.144 nan 8.290 nan 0.000 0.406 223 D N 0.669 121.036 120.400 -0.056 0.000 2.123 223 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 223 D C 2.040 178.304 176.300 -0.061 0.000 0.992 223 D CA 1.496 55.466 54.000 -0.050 0.000 0.833 223 D CB -0.507 40.267 40.800 -0.043 0.000 0.954 223 D HN 0.444 nan 8.370 nan 0.000 0.455 224 L N 0.016 121.193 121.223 -0.076 0.000 2.141 224 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 224 L C 2.333 179.095 176.870 -0.181 0.000 1.094 224 L CA 0.591 55.375 54.840 -0.094 0.000 0.763 224 L CB -0.178 41.830 42.059 -0.084 0.000 0.908 224 L HN 0.028 nan 8.230 nan 0.000 0.437 225 L N -1.280 119.821 121.223 -0.205 0.000 2.446 225 L HA 0.176 4.516 4.340 -0.000 0.000 0.219 225 L C 1.636 178.414 176.870 -0.153 0.000 1.116 225 L CA 0.390 55.062 54.840 -0.280 0.000 0.844 225 L CB -0.576 41.344 42.059 -0.231 0.000 0.970 225 L HN 0.418 nan 8.230 nan 0.000 0.457 226 G N 1.946 110.690 108.800 -0.094 0.000 2.591 226 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.298 226 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.298 226 G C 0.554 175.432 174.900 -0.037 0.000 1.195 226 G CA 0.454 45.524 45.100 -0.050 0.000 0.989 226 G HN 0.490 nan 8.290 nan 0.000 0.551 227 D N 1.038 121.427 120.400 -0.018 0.000 2.363 227 D HA 0.035 4.675 4.640 -0.000 0.000 0.226 227 D C 2.061 178.361 176.300 -0.001 0.000 1.020 227 D CA 0.710 54.708 54.000 -0.004 0.000 0.892 227 D CB -0.313 40.493 40.800 0.010 0.000 0.900 227 D HN 0.624 nan 8.370 nan 0.000 0.531 228 R N -0.081 120.408 120.500 -0.019 0.000 2.235 228 R HA 0.079 4.419 4.340 -0.000 0.000 0.213 228 R C 0.356 176.632 176.300 -0.040 0.000 1.059 228 R CA 0.282 56.371 56.100 -0.019 0.000 0.997 228 R CB 0.249 30.528 30.300 -0.035 0.000 0.884 228 R HN 0.077 nan 8.270 nan 0.000 0.462 229 V N 3.001 122.887 119.914 -0.047 0.000 2.406 229 V HA 0.108 4.228 4.120 -0.000 0.000 0.272 229 V C -0.087 175.980 176.094 -0.044 0.000 1.043 229 V CA -0.379 61.888 62.300 -0.055 0.000 0.915 229 V CB 1.293 33.085 31.823 -0.052 0.000 0.988 229 V HN 0.042 nan 8.190 nan 0.000 0.466 230 K N 6.529 126.890 120.400 -0.065 0.000 2.334 230 K HA 0.538 4.858 4.320 -0.000 0.000 0.265 230 K C -0.689 175.877 176.600 -0.057 0.000 1.039 230 K CA -0.313 55.946 56.287 -0.047 0.000 0.920 230 K CB 1.780 34.246 32.500 -0.058 0.000 1.160 230 K HN 0.501 nan 8.250 nan 0.000 0.451 231 L N 1.633 122.834 121.223 -0.038 0.000 2.399 231 L HA 0.175 4.515 4.340 -0.000 0.000 0.266 231 L C 0.697 177.539 176.870 -0.047 0.000 1.114 231 L CA -0.215 54.598 54.840 -0.045 0.000 0.804 231 L CB 0.242 42.284 42.059 -0.029 0.000 1.146 231 L HN 0.692 nan 8.230 nan 0.000 0.451 232 E N 0.628 120.786 120.200 -0.070 0.000 2.389 232 E HA -0.230 4.120 4.350 -0.000 0.000 0.243 232 E C -0.494 176.064 176.600 -0.071 0.000 1.154 232 E CA 0.276 56.631 56.400 -0.075 0.000 0.723 232 E CB -0.846 28.829 29.700 -0.043 0.000 1.261 232 E HN 0.378 nan 8.360 nan 0.000 0.390 233 R N 0.192 120.637 120.500 -0.092 0.000 2.724 233 R HA 0.246 4.586 4.340 -0.000 0.000 0.284 233 R C -2.704 173.528 176.300 -0.113 0.000 1.481 233 R CA -1.964 54.094 56.100 -0.071 0.000 1.652 233 R CB 0.590 30.855 30.300 -0.059 0.000 1.175 233 R HN -0.008 nan 8.270 nan 0.000 0.613 234 P HA 0.011 nan 4.420 nan 0.000 0.271 234 P C -0.279 176.998 177.300 -0.038 0.000 1.226 234 P CA -0.158 62.848 63.100 -0.156 0.000 0.765 234 P CB 0.912 32.528 31.700 -0.140 0.000 0.835 235 V N 5.522 125.422 119.914 -0.024 0.000 2.572 235 V HA 0.040 4.160 4.120 -0.000 0.000 0.291 235 V C 1.736 177.862 176.094 0.054 0.000 1.039 235 V CA 0.476 62.785 62.300 0.016 0.000 1.055 235 V CB 0.310 32.130 31.823 -0.005 0.000 0.969 235 V HN 0.536 nan 8.190 nan 0.000 0.482 236 I N 1.785 122.404 120.570 0.080 0.000 4.323 236 I HA 0.439 4.609 4.170 -0.000 0.000 0.328 236 I C 0.015 176.236 176.117 0.173 0.000 1.310 236 I CA 0.138 61.513 61.300 0.125 0.000 1.186 236 I CB 0.613 38.677 38.000 0.106 0.000 1.130 236 I HN 0.500 nan 8.210 nan 0.000 0.411 237 Y N 1.882 122.145 120.300 -0.062 0.000 2.390 237 Y HA 0.680 5.230 4.550 -0.000 0.000 0.324 237 Y C -1.875 173.959 175.900 -0.110 0.000 1.151 237 Y CA -1.580 56.464 58.100 -0.093 0.000 1.053 237 Y CB 1.570 40.008 38.460 -0.037 0.000 1.277 237 Y HN -0.015 nan 8.280 nan 0.000 0.432 238 I N 5.743 125.925 120.570 -0.648 0.000 2.466 238 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 238 I C -1.339 174.402 176.117 -0.627 0.000 1.026 238 I CA -0.698 60.299 61.300 -0.504 0.000 1.078 238 I CB 1.884 39.749 38.000 -0.225 0.000 1.249 238 I HN 0.525 nan 8.210 nan 0.000 0.429 239 D N 5.945 126.045 120.400 -0.499 0.000 2.481 239 D HA 0.274 4.914 4.640 -0.000 0.000 0.246 239 D C -0.338 175.893 176.300 -0.115 0.000 1.109 239 D CA -0.248 53.550 54.000 -0.337 0.000 0.845 239 D CB 1.560 42.179 40.800 -0.302 0.000 1.160 239 D HN 0.501 nan 8.370 nan 0.000 0.534 240 Q N 1.752 121.523 119.800 -0.048 0.000 2.175 240 Q HA 0.083 4.423 4.340 -0.000 0.000 0.225 240 Q C 1.155 177.152 176.000 -0.005 0.000 0.837 240 Q CA -0.001 55.792 55.803 -0.018 0.000 1.032 240 Q CB 0.776 29.516 28.738 0.004 0.000 1.137 240 Q HN 0.560 nan 8.270 nan 0.000 0.483 241 T N -2.547 112.009 114.554 0.003 0.000 3.085 241 T HA 0.111 4.461 4.350 -0.000 0.000 0.263 241 T C 0.906 175.611 174.700 0.008 0.000 1.127 241 T CA 0.285 62.394 62.100 0.015 0.000 1.103 241 T CB 0.301 69.188 68.868 0.033 0.000 0.921 241 T HN 0.050 nan 8.240 nan 0.000 0.510 242 R N -0.019 120.481 120.500 -0.000 0.000 2.943 242 R HA 0.482 4.822 4.340 -0.000 0.000 0.246 242 R C 1.403 177.692 176.300 -0.018 0.000 1.201 242 R CA -0.768 55.330 56.100 -0.004 0.000 1.056 242 R CB 0.848 31.149 30.300 0.002 0.000 1.243 242 R HN 0.061 nan 8.270 nan 0.000 0.498 243 E N 0.571 120.760 120.200 -0.019 0.000 2.070 243 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 243 E C -0.301 176.267 176.600 -0.053 0.000 1.004 243 E CA 1.276 57.657 56.400 -0.032 0.000 0.805 243 E CB 0.158 29.843 29.700 -0.024 0.000 0.744 243 E HN 0.274 nan 8.360 nan 0.000 0.451 244 N N 0.049 118.723 118.700 -0.044 0.000 2.417 244 N HA 0.175 4.915 4.740 -0.000 0.000 0.300 244 N C -0.954 174.530 175.510 -0.042 0.000 1.102 244 N CA -0.369 52.649 53.050 -0.054 0.000 0.886 244 N CB 2.070 40.537 38.487 -0.033 0.000 1.203 244 N HN -0.162 nan 8.380 nan 0.000 0.496 245 V N 2.193 122.076 119.914 -0.051 0.000 2.572 245 V HA 0.173 4.293 4.120 -0.000 0.000 0.291 245 V C 0.495 176.583 176.094 -0.010 0.000 1.039 245 V CA -0.271 62.009 62.300 -0.034 0.000 1.055 245 V CB 0.202 32.007 31.823 -0.030 0.000 0.969 245 V HN 0.367 nan 8.190 nan 0.000 0.482 246 L N 5.561 126.772 121.223 -0.021 0.000 2.296 246 L HA 0.579 4.919 4.340 -0.000 0.000 0.286 246 L C -0.597 176.265 176.870 -0.013 0.000 1.023 246 L CA -0.513 54.331 54.840 0.006 0.000 0.812 246 L CB 1.767 43.839 42.059 0.023 0.000 1.223 246 L HN 0.378 nan 8.230 nan 0.000 0.421 247 V N 2.868 122.822 119.914 0.066 0.000 2.444 247 V HA 0.357 4.477 4.120 -0.000 0.000 0.294 247 V C -0.239 175.962 176.094 0.178 0.000 1.022 247 V CA -0.634 61.712 62.300 0.077 0.000 0.850 247 V CB 1.764 33.630 31.823 0.072 0.000 0.992 247 V HN 0.726 nan 8.190 nan 0.000 0.426 248 E N 2.861 123.168 120.200 0.177 0.000 2.191 248 E HA 0.648 4.998 4.350 -0.000 0.000 0.274 248 E C -0.271 176.434 176.600 0.175 0.000 0.948 248 E CA -0.473 56.057 56.400 0.217 0.000 0.802 248 E CB 1.851 31.713 29.700 0.270 0.000 1.137 248 E HN 0.839 nan 8.360 nan 0.000 0.397 249 T N 0.991 115.648 114.554 0.172 0.000 2.944 249 T HA 0.194 4.544 4.350 -0.000 0.000 0.284 249 T C 0.976 175.709 174.700 0.055 0.000 1.010 249 T CA -0.843 61.321 62.100 0.106 0.000 1.025 249 T CB 1.131 70.071 68.868 0.119 0.000 1.079 249 T HN 0.434 nan 8.240 nan 0.000 0.516 250 L N 1.729 122.953 121.223 0.001 0.000 2.079 250 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 250 L C 1.933 178.651 176.870 -0.253 0.000 1.081 250 L CA 2.154 56.954 54.840 -0.067 0.000 0.752 250 L CB -1.240 40.800 42.059 -0.032 0.000 0.896 250 L HN 0.940 nan 8.230 nan 0.000 0.433 251 N N -2.307 116.280 118.700 -0.187 0.000 2.485 251 N HA -0.103 4.637 4.740 -0.000 0.000 0.199 251 N C -0.077 175.316 175.510 -0.195 0.000 1.236 251 N CA 0.486 53.386 53.050 -0.250 0.000 0.852 251 N CB -0.623 37.808 38.487 -0.092 0.000 1.018 251 N HN 0.571 nan 8.380 nan 0.000 0.457 252 H N -2.355 116.730 119.070 0.025 0.000 2.936 252 H HA -0.151 4.405 4.556 0.000 0.000 0.276 252 H C -0.862 174.469 175.328 0.006 0.000 1.216 252 H CA 0.430 56.484 56.048 0.011 0.000 1.132 252 H CB -1.810 27.947 29.762 -0.008 0.000 1.303 252 H HN 0.573 nan 8.280 nan 0.000 0.370 253 E N 0.962 121.231 120.200 0.115 0.000 2.313 253 E HA 0.378 4.728 4.350 -0.000 0.000 0.272 253 E C 0.197 176.804 176.600 0.012 0.000 1.038 253 E CA -0.603 55.812 56.400 0.025 0.000 0.863 253 E CB 0.898 30.630 29.700 0.054 0.000 1.060 253 E HN 0.084 nan 8.360 nan 0.000 0.402 254 M N 2.554 122.053 119.600 -0.167 0.000 2.294 254 M HA 0.349 4.829 4.480 -0.000 0.000 0.335 254 M C -1.300 174.795 176.300 -0.342 0.000 1.079 254 M CA -0.614 54.622 55.300 -0.106 0.000 0.982 254 M CB 0.818 33.386 32.600 -0.053 0.000 1.651 254 M HN 0.482 nan 8.290 nan 0.000 0.437 255 Y N 0.404 120.720 120.300 0.026 0.000 2.409 255 Y HA 0.479 5.029 4.550 0.000 0.000 0.343 255 Y C 0.068 175.974 175.900 0.011 0.000 0.973 255 Y CA -0.697 57.413 58.100 0.016 0.000 1.064 255 Y CB 1.751 40.219 38.460 0.013 0.000 1.207 255 Y HN 0.568 nan 8.280 nan 0.000 0.452 256 E N 1.859 122.137 120.200 0.130 0.000 2.176 256 E HA 0.833 5.183 4.350 -0.000 0.000 0.267 256 E C -1.472 175.170 176.600 0.069 0.000 0.893 256 E CA -0.683 55.759 56.400 0.070 0.000 0.761 256 E CB 1.258 30.975 29.700 0.028 0.000 1.133 256 E HN 0.771 nan 8.360 nan 0.000 0.409 257 A N 3.605 126.449 122.820 0.041 0.000 2.594 257 A HA 0.374 4.694 4.320 -0.000 0.000 0.291 257 A C -0.031 177.533 177.584 -0.034 0.000 1.105 257 A CA -0.643 51.412 52.037 0.031 0.000 0.694 257 A CB 1.532 20.568 19.000 0.060 0.000 1.291 257 A HN 0.685 nan 8.150 nan 0.000 0.410 258 K N -0.769 119.598 120.400 -0.055 0.000 2.116 258 K HA 0.105 4.425 4.320 -0.000 0.000 0.203 258 K C -0.660 175.621 176.600 -0.531 0.000 1.052 258 K CA 1.459 57.584 56.287 -0.270 0.000 0.952 258 K CB -0.057 32.328 32.500 -0.191 0.000 0.729 258 K HN 0.615 nan 8.250 nan 0.000 0.446 259 Y N -1.291 119.034 120.300 0.041 0.000 2.615 259 Y HA 0.406 4.956 4.550 0.000 0.000 0.341 259 Y C -0.658 175.270 175.900 0.048 0.000 1.089 259 Y CA -1.307 56.834 58.100 0.068 0.000 1.049 259 Y CB 1.824 40.325 38.460 0.068 0.000 1.296 259 Y HN -0.431 nan 8.280 nan 0.000 0.470 260 V N 2.894 122.950 119.914 0.237 0.000 2.709 260 V HA 0.475 4.595 4.120 -0.000 0.000 0.308 260 V C -0.718 175.423 176.094 0.078 0.000 1.062 260 V CA -0.858 61.507 62.300 0.108 0.000 0.901 260 V CB 2.121 33.973 31.823 0.049 0.000 1.003 260 V HN 0.540 nan 8.190 nan 0.000 0.425 261 I N 2.843 123.431 120.570 0.030 0.000 2.339 261 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 261 I C 0.323 176.429 176.117 -0.019 0.000 0.994 261 I CA -0.167 61.129 61.300 -0.007 0.000 1.191 261 I CB 1.884 39.890 38.000 0.009 0.000 1.343 261 I HN 0.606 nan 8.210 nan 0.000 0.458 262 S N 5.496 121.153 115.700 -0.071 0.000 2.400 262 S HA 0.489 4.959 4.470 -0.000 0.000 0.295 262 S C 0.476 175.161 174.600 0.142 0.000 1.113 262 S CA -0.480 57.755 58.200 0.058 0.000 1.064 262 S CB 0.441 63.723 63.200 0.136 0.000 0.990 262 S HN 0.716 nan 8.310 nan 0.000 0.502 263 A N 5.939 128.829 122.820 0.116 0.000 2.827 263 A HA 0.465 4.785 4.320 -0.000 0.000 0.300 263 A C 0.340 178.003 177.584 0.132 0.000 1.237 263 A CA -0.688 51.423 52.037 0.123 0.000 0.964 263 A CB -0.563 18.485 19.000 0.080 0.000 1.143 263 A HN 0.911 nan 8.150 nan 0.000 0.554 264 I N -4.060 116.607 120.570 0.161 0.000 2.797 264 I HA 0.675 4.845 4.170 -0.000 0.000 0.307 264 I C -2.921 173.292 176.117 0.161 0.000 1.033 264 I CA -3.111 58.281 61.300 0.154 0.000 1.071 264 I CB 1.506 39.599 38.000 0.155 0.000 1.255 264 I HN -0.161 nan 8.210 nan 0.000 0.445 265 P HA 0.108 nan 4.420 nan 0.000 0.263 265 P C -2.159 175.196 177.300 0.091 0.000 1.175 265 P CA -0.564 62.605 63.100 0.115 0.000 0.761 265 P CB -0.035 31.720 31.700 0.091 0.000 0.794 266 P HA -0.240 nan 4.420 nan 0.000 0.216 266 P C 1.628 178.913 177.300 -0.026 0.000 1.157 266 P CA 1.907 65.013 63.100 0.010 0.000 0.880 266 P CB -0.296 31.380 31.700 -0.041 0.000 0.791 267 T N -1.306 113.206 114.554 -0.069 0.000 2.881 267 T HA -0.088 4.262 4.350 -0.000 0.000 0.270 267 T C 1.533 176.224 174.700 -0.014 0.000 1.068 267 T CA 0.804 62.854 62.100 -0.083 0.000 1.131 267 T CB -0.827 67.958 68.868 -0.138 0.000 0.871 267 T HN -0.033 nan 8.240 nan 0.000 0.479 268 L N 0.400 121.643 121.223 0.034 0.000 2.551 268 L HA 0.120 4.460 4.340 -0.000 0.000 0.228 268 L C 2.808 179.752 176.870 0.123 0.000 1.153 268 L CA 0.682 55.570 54.840 0.080 0.000 0.851 268 L CB -0.753 41.378 42.059 0.119 0.000 0.959 268 L HN 0.354 nan 8.230 nan 0.000 0.451 269 G N -0.058 108.826 108.800 0.141 0.000 2.479 269 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 269 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 269 G C 1.596 176.638 174.900 0.236 0.000 1.115 269 G CA 0.302 45.545 45.100 0.238 0.000 0.757 269 G HN 0.157 nan 8.290 nan 0.000 0.560 270 M N 0.342 120.008 119.600 0.110 0.000 2.358 270 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 270 M C 2.086 178.399 176.300 0.022 0.000 1.064 270 M CA 0.985 56.318 55.300 0.055 0.000 1.093 270 M CB -0.487 32.108 32.600 -0.009 0.000 1.401 270 M HN 0.227 nan 8.290 nan 0.000 0.440 271 K N 0.038 120.474 120.400 0.059 0.000 2.525 271 K HA 0.153 4.473 4.320 -0.000 0.000 0.192 271 K C 0.351 176.996 176.600 0.074 0.000 1.029 271 K CA 0.409 56.738 56.287 0.070 0.000 1.029 271 K CB 0.169 32.745 32.500 0.125 0.000 0.814 271 K HN 0.321 nan 8.250 nan 0.000 0.503 272 I N 1.136 121.708 120.570 0.003 0.000 2.377 272 I HA 0.124 4.294 4.170 -0.000 0.000 0.293 272 I C 0.145 176.085 176.117 -0.296 0.000 0.987 272 I CA -0.739 60.463 61.300 -0.163 0.000 1.185 272 I CB 1.333 39.079 38.000 -0.423 0.000 1.341 272 I HN 0.030 nan 8.210 nan 0.000 0.455 273 H N 6.054 125.007 119.070 -0.195 0.000 2.562 273 H HA 0.343 4.899 4.556 -0.000 0.000 0.314 273 H C -1.079 174.150 175.328 -0.166 0.000 1.079 273 H CA -0.215 55.822 56.048 -0.018 0.000 1.349 273 H CB 1.088 30.936 29.762 0.142 0.000 1.432 273 H HN 0.320 nan 8.280 nan 0.000 0.479 274 F N 1.915 121.972 119.950 0.178 0.000 2.450 274 F HA 0.175 4.702 4.527 -0.000 0.000 0.332 274 F C 0.645 176.496 175.800 0.085 0.000 1.093 274 F CA -0.725 57.314 58.000 0.065 0.000 1.003 274 F CB 1.306 40.328 39.000 0.036 0.000 1.151 274 F HN 0.468 nan 8.300 nan 0.000 0.474 275 N N 4.082 122.879 118.700 0.161 0.000 2.480 275 N HA 0.408 5.148 4.740 -0.000 0.000 0.289 275 N C -3.043 172.515 175.510 0.080 0.000 1.073 275 N CA -2.347 50.785 53.050 0.136 0.000 0.885 275 N CB 2.129 40.717 38.487 0.170 0.000 1.421 275 N HN 0.075 nan 8.380 nan 0.000 0.503 276 P HA 0.301 nan 4.420 nan 0.000 0.273 276 P C -2.633 174.741 177.300 0.123 0.000 1.250 276 P CA -0.942 62.215 63.100 0.094 0.000 0.793 276 P CB -0.393 31.342 31.700 0.058 0.000 1.011 277 P HA 0.072 nan 4.420 nan 0.000 0.268 277 P C 0.106 177.420 177.300 0.024 0.000 1.208 277 P CA 0.268 63.428 63.100 0.101 0.000 0.777 277 P CB 0.168 31.910 31.700 0.070 0.000 0.875 278 L N 3.378 124.569 121.223 -0.054 0.000 2.483 278 L HA 0.115 4.455 4.340 -0.000 0.000 0.275 278 L C -1.637 175.180 176.870 -0.088 0.000 1.220 278 L CA -1.512 53.227 54.840 -0.168 0.000 0.833 278 L CB -0.731 41.142 42.059 -0.310 0.000 1.102 278 L HN 0.305 nan 8.230 nan 0.000 0.490 279 P HA -0.058 nan 4.420 nan 0.000 0.268 279 P C 0.658 177.926 177.300 -0.052 0.000 1.208 279 P CA -0.191 62.876 63.100 -0.056 0.000 0.777 279 P CB 0.453 32.120 31.700 -0.056 0.000 0.875 280 M N 1.775 121.357 119.600 -0.031 0.000 2.089 280 M HA -0.226 4.254 4.480 -0.000 0.000 0.257 280 M C 1.209 177.515 176.300 0.009 0.000 1.071 280 M CA 2.295 57.588 55.300 -0.013 0.000 1.096 280 M CB -0.363 32.233 32.600 -0.008 0.000 1.330 280 M HN 0.178 nan 8.290 nan 0.000 0.403 281 M N -0.281 119.320 119.600 0.002 0.000 2.086 281 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 281 M C 2.319 178.660 176.300 0.067 0.000 1.067 281 M CA 1.777 57.114 55.300 0.062 0.000 1.116 281 M CB -1.471 31.110 32.600 -0.033 0.000 1.348 281 M HN 0.435 nan 8.290 nan 0.000 0.407 282 R N 0.368 120.838 120.500 -0.050 0.000 2.075 282 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 282 R C 2.015 178.232 176.300 -0.137 0.000 1.126 282 R CA 1.734 57.758 56.100 -0.128 0.000 0.963 282 R CB -0.241 29.931 30.300 -0.213 0.000 0.858 282 R HN 0.341 nan 8.270 nan 0.000 0.435 283 N N 0.503 119.138 118.700 -0.109 0.000 2.060 283 N HA -0.239 4.501 4.740 -0.000 0.000 0.195 283 N C 1.599 177.047 175.510 -0.103 0.000 1.028 283 N CA 2.012 55.005 53.050 -0.094 0.000 0.861 283 N CB -0.006 38.448 38.487 -0.055 0.000 1.029 283 N HN 0.355 nan 8.380 nan 0.000 0.428 284 Q N -1.144 118.602 119.800 -0.090 0.000 2.163 284 Q HA -0.044 4.296 4.340 -0.000 0.000 0.198 284 Q C 1.995 177.752 176.000 -0.404 0.000 0.954 284 Q CA 0.626 56.323 55.803 -0.176 0.000 0.851 284 Q CB -0.130 28.575 28.738 -0.056 0.000 0.928 284 Q HN 0.492 nan 8.270 nan 0.000 0.459 285 M N 1.740 121.100 119.600 -0.400 0.000 2.106 285 M HA -0.176 4.304 4.480 -0.000 0.000 0.259 285 M C 2.014 178.083 176.300 -0.385 0.000 1.068 285 M CA 1.683 56.687 55.300 -0.494 0.000 1.100 285 M CB -0.517 31.965 32.600 -0.196 0.000 1.351 285 M HN 0.309 nan 8.290 nan 0.000 0.404 286 I N -1.559 118.850 120.570 -0.268 0.000 3.241 286 I HA -0.085 4.085 4.170 -0.000 0.000 0.280 286 I C 1.444 177.432 176.117 -0.216 0.000 1.320 286 I CA 1.421 62.591 61.300 -0.216 0.000 1.413 286 I CB -1.028 36.892 38.000 -0.134 0.000 1.060 286 I HN 0.335 nan 8.210 nan 0.000 0.500 287 T N -2.586 111.817 114.554 -0.252 0.000 3.054 287 T HA 0.295 4.645 4.350 -0.000 0.000 0.255 287 T C 1.465 175.996 174.700 -0.282 0.000 1.035 287 T CA -0.264 61.701 62.100 -0.225 0.000 0.941 287 T CB 0.001 68.760 68.868 -0.180 0.000 1.026 287 T HN 0.408 nan 8.240 nan 0.000 0.533 288 R N 0.971 121.242 120.500 -0.380 0.000 2.508 288 R HA 0.327 4.667 4.340 -0.000 0.000 0.300 288 R C -0.105 175.874 176.300 -0.535 0.000 0.970 288 R CA 0.013 55.857 56.100 -0.427 0.000 1.102 288 R CB 1.344 31.331 30.300 -0.522 0.000 1.246 288 R HN 0.428 nan 8.270 nan 0.000 0.539 289 V N -0.727 118.852 119.914 -0.559 0.000 2.383 289 V HA 0.455 4.575 4.120 -0.000 0.000 0.261 289 V C -2.657 173.075 176.094 -0.604 0.000 0.987 289 V CA -2.299 59.556 62.300 -0.742 0.000 0.853 289 V CB 0.666 32.006 31.823 -0.805 0.000 1.095 289 V HN -0.107 nan 8.190 nan 0.000 0.461 290 P HA 0.474 nan 4.420 nan 0.000 0.274 290 P C -0.639 176.336 177.300 -0.542 0.000 1.246 290 P CA -0.290 62.473 63.100 -0.562 0.000 0.795 290 P CB 1.834 33.178 31.700 -0.593 0.000 1.006 291 L N 0.371 121.455 121.223 -0.231 0.000 2.352 291 L HA 0.572 4.912 4.340 -0.000 0.000 0.269 291 L C 1.471 178.395 176.870 0.091 0.000 1.034 291 L CA -0.147 54.658 54.840 -0.058 0.000 0.806 291 L CB 0.547 42.607 42.059 0.001 0.000 1.244 291 L HN 0.480 nan 8.230 nan 0.000 0.447 292 G N -0.027 108.862 108.800 0.149 0.000 2.611 292 G HA2 0.417 4.377 3.960 -0.000 0.000 0.273 292 G HA3 0.417 4.377 3.960 -0.000 0.000 0.273 292 G C -0.775 174.138 174.900 0.021 0.000 1.305 292 G CA -0.368 44.789 45.100 0.095 0.000 1.010 292 G HN 0.498 nan 8.290 nan 0.000 0.509 293 S N -1.397 114.287 115.700 -0.028 0.000 2.561 293 S HA 0.589 5.059 4.470 -0.000 0.000 0.303 293 S C -1.036 173.562 174.600 -0.003 0.000 1.110 293 S CA -0.495 57.715 58.200 0.016 0.000 1.034 293 S CB 1.671 64.891 63.200 0.032 0.000 1.010 293 S HN 0.792 nan 8.310 nan 0.000 0.482 294 V N 4.850 124.815 119.914 0.085 0.000 3.000 294 V HA 0.575 4.695 4.120 -0.000 0.000 0.300 294 V C -1.949 174.316 176.094 0.285 0.000 1.251 294 V CA -0.744 61.644 62.300 0.146 0.000 0.972 294 V CB 1.802 33.665 31.823 0.067 0.000 1.065 294 V HN 0.874 nan 8.190 nan 0.000 0.431 295 I N 5.268 126.015 120.570 0.295 0.000 2.406 295 I HA 0.527 4.697 4.170 -0.000 0.000 0.290 295 I C -0.257 176.103 176.117 0.404 0.000 0.999 295 I CA -0.607 60.881 61.300 0.313 0.000 1.124 295 I CB 1.732 39.855 38.000 0.205 0.000 1.289 295 I HN 0.507 nan 8.210 nan 0.000 0.441 296 K N 5.971 126.637 120.400 0.443 0.000 2.234 296 K HA 0.587 4.907 4.320 -0.000 0.000 0.277 296 K C -1.458 175.250 176.600 0.180 0.000 1.038 296 K CA -0.324 56.188 56.287 0.376 0.000 0.888 296 K CB 0.949 33.739 32.500 0.484 0.000 1.091 296 K HN 0.707 nan 8.250 nan 0.000 0.467 297 C N 5.405 124.766 119.300 0.102 0.000 2.441 297 C HA 0.568 5.028 4.460 -0.000 0.000 0.318 297 C C -0.787 174.233 174.990 0.051 0.000 1.222 297 C CA -1.087 57.983 59.018 0.087 0.000 1.474 297 C CB -0.006 27.899 27.740 0.275 0.000 2.125 297 C HN 0.731 nan 8.230 nan 0.000 0.479 298 I N 3.123 123.674 120.570 -0.032 0.000 2.410 298 I HA 0.399 4.569 4.170 -0.000 0.000 0.286 298 I C -0.241 175.872 176.117 -0.007 0.000 1.009 298 I CA -0.114 61.137 61.300 -0.082 0.000 1.111 298 I CB 1.382 39.285 38.000 -0.161 0.000 1.262 298 I HN 0.359 nan 8.210 nan 0.000 0.443 299 V N 6.740 126.667 119.914 0.022 0.000 2.394 299 V HA 0.365 4.485 4.120 -0.000 0.000 0.282 299 V C -0.578 175.356 176.094 -0.268 0.000 1.031 299 V CA -0.669 61.663 62.300 0.053 0.000 0.881 299 V CB 0.720 32.624 31.823 0.135 0.000 0.982 299 V HN 0.403 nan 8.190 nan 0.000 0.451 300 Y N 4.144 124.399 120.300 -0.075 0.000 2.361 300 Y HA 0.656 5.206 4.550 -0.000 0.000 0.332 300 Y C -0.229 175.529 175.900 -0.236 0.000 1.101 300 Y CA -0.370 57.726 58.100 -0.006 0.000 1.137 300 Y CB 1.306 39.860 38.460 0.157 0.000 1.207 300 Y HN 0.530 nan 8.280 nan 0.000 0.463 301 Y N -0.055 120.494 120.300 0.414 0.000 2.605 301 Y HA 0.288 4.838 4.550 0.000 0.000 0.343 301 Y C 1.120 177.166 175.900 0.243 0.000 1.036 301 Y CA -1.378 56.937 58.100 0.358 0.000 1.065 301 Y CB 1.892 40.659 38.460 0.512 0.000 1.288 301 Y HN 0.501 nan 8.280 nan 0.000 0.481 302 K N 0.384 121.001 120.400 0.362 0.000 2.097 302 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 302 K C -0.541 176.133 176.600 0.123 0.000 1.049 302 K CA 1.639 58.035 56.287 0.180 0.000 0.933 302 K CB 0.223 32.800 32.500 0.128 0.000 0.717 302 K HN 0.736 nan 8.250 nan 0.000 0.442 303 E N -0.907 119.383 120.200 0.150 0.000 2.408 303 E HA 0.208 4.558 4.350 -0.000 0.000 0.275 303 E C -2.691 173.784 176.600 -0.208 0.000 0.935 303 E CA -2.297 54.097 56.400 -0.008 0.000 0.775 303 E CB 2.251 31.935 29.700 -0.027 0.000 1.277 303 E HN -0.071 nan 8.360 nan 0.000 0.455 304 P HA 0.041 nan 4.420 nan 0.000 0.230 304 P C 0.210 176.583 177.300 -1.545 0.000 1.791 304 P CA -0.043 62.134 63.100 -1.539 0.000 1.020 304 P CB -0.874 30.215 31.700 -1.019 0.000 1.977 305 F N 0.049 119.456 119.950 -0.905 0.000 2.250 305 F HA -0.134 4.393 4.527 -0.000 0.000 0.301 305 F C 1.776 177.411 175.800 -0.274 0.000 1.077 305 F CA 0.047 57.797 58.000 -0.416 0.000 1.348 305 F CB -1.797 37.083 39.000 -0.201 0.000 1.040 305 F HN 0.133 nan 8.300 nan 0.000 0.509 306 W N 1.469 122.431 121.300 -0.564 0.000 2.350 306 W HA -0.024 4.636 4.660 0.000 0.000 0.289 306 W C 2.068 178.534 176.519 -0.088 0.000 1.215 306 W CA 1.051 58.260 57.345 -0.228 0.000 1.236 306 W CB -1.192 28.062 29.460 -0.344 0.000 1.130 306 W HN -0.127 nan 8.180 nan 0.000 0.541 307 R N 1.213 121.514 120.500 -0.333 0.000 2.127 307 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 307 R C 2.086 178.308 176.300 -0.131 0.000 1.134 307 R CA 1.829 57.828 56.100 -0.168 0.000 0.975 307 R CB -0.495 29.645 30.300 -0.266 0.000 0.865 307 R HN 0.307 nan 8.270 nan 0.000 0.447 308 K N 0.734 121.049 120.400 -0.141 0.000 2.209 308 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 308 K C 1.374 177.910 176.600 -0.107 0.000 1.048 308 K CA 1.010 57.239 56.287 -0.097 0.000 0.940 308 K CB 0.032 32.494 32.500 -0.063 0.000 0.729 308 K HN 0.147 nan 8.250 nan 0.000 0.451 309 K N 0.933 121.247 120.400 -0.144 0.000 2.437 309 K HA -0.030 4.290 4.320 -0.000 0.000 0.198 309 K C -0.488 175.798 176.600 -0.522 0.000 1.024 309 K CA 0.062 56.160 56.287 -0.315 0.000 1.148 309 K CB 0.256 32.538 32.500 -0.363 0.000 0.860 309 K HN 0.015 nan 8.250 nan 0.000 0.515 310 D N 0.195 120.427 120.400 -0.279 0.000 2.800 310 D HA -0.217 4.423 4.640 -0.000 0.000 0.232 310 D C -1.411 174.816 176.300 -0.121 0.000 1.137 310 D CA 0.893 54.783 54.000 -0.182 0.000 0.718 310 D CB -1.382 39.330 40.800 -0.147 0.000 1.084 310 D HN 0.343 nan 8.370 nan 0.000 0.432 311 Y N -0.828 119.505 120.300 0.055 0.000 2.352 311 Y HA 0.314 4.864 4.550 0.000 0.000 0.339 311 Y C 2.033 178.003 175.900 0.116 0.000 0.992 311 Y CA -0.960 57.172 58.100 0.055 0.000 1.100 311 Y CB 1.276 39.778 38.460 0.070 0.000 1.192 311 Y HN 0.254 nan 8.280 nan 0.000 0.458 312 C N -0.902 118.508 119.300 0.184 0.000 2.468 312 C HA 0.421 4.881 4.460 -0.000 0.000 0.277 312 C C 1.737 176.775 174.990 0.080 0.000 1.400 312 C CA 0.652 59.750 59.018 0.134 0.000 1.770 312 C CB -0.932 26.811 27.740 0.005 0.000 1.905 312 C HN 1.223 nan 8.230 nan 0.000 0.519 313 G N -0.373 108.313 108.800 -0.190 0.000 2.255 313 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.196 313 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.196 313 G C 0.047 174.604 174.900 -0.572 0.000 0.998 313 G CA 0.159 44.837 45.100 -0.704 0.000 0.656 313 G HN 0.555 nan 8.290 nan 0.000 0.490 314 T N 2.351 116.664 114.554 -0.402 0.000 2.814 314 T HA 0.615 4.965 4.350 -0.000 0.000 0.297 314 T C 0.272 174.744 174.700 -0.380 0.000 0.956 314 T CA 0.643 62.478 62.100 -0.442 0.000 1.123 314 T CB 0.808 69.461 68.868 -0.358 0.000 0.902 314 T HN 0.291 nan 8.240 nan 0.000 0.528 315 M N 4.042 123.394 119.600 -0.413 0.000 2.263 315 M HA 0.478 4.958 4.480 -0.000 0.000 0.295 315 M C -0.941 175.321 176.300 -0.063 0.000 1.028 315 M CA -0.538 54.647 55.300 -0.193 0.000 0.921 315 M CB 2.210 34.681 32.600 -0.215 0.000 1.601 315 M HN 0.412 nan 8.290 nan 0.000 0.440 316 I N 4.833 125.544 120.570 0.234 0.000 2.328 316 I HA 0.446 4.616 4.170 -0.000 0.000 0.287 316 I C -0.824 175.584 176.117 0.485 0.000 1.012 316 I CA -0.349 61.227 61.300 0.461 0.000 1.195 316 I CB 0.904 39.266 38.000 0.603 0.000 1.350 316 I HN 0.611 nan 8.210 nan 0.000 0.464 317 I N 5.246 126.052 120.570 0.393 0.000 2.390 317 I HA 0.285 4.455 4.170 -0.000 0.000 0.283 317 I C -0.367 175.938 176.117 0.313 0.000 1.016 317 I CA -0.593 60.905 61.300 0.329 0.000 1.151 317 I CB 1.095 39.221 38.000 0.211 0.000 1.293 317 I HN 0.431 nan 8.210 nan 0.000 0.458 318 D N 4.771 125.354 120.400 0.304 0.000 2.339 318 D HA 0.568 5.208 4.640 -0.000 0.000 0.245 318 D C 0.395 176.812 176.300 0.196 0.000 1.115 318 D CA 0.766 54.911 54.000 0.241 0.000 0.917 318 D CB 1.870 42.786 40.800 0.194 0.000 1.192 318 D HN 0.828 nan 8.370 nan 0.000 0.428 319 G N 1.606 110.502 108.800 0.159 0.000 2.640 319 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 319 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 319 G C 0.526 175.504 174.900 0.129 0.000 1.229 319 G CA -0.104 45.075 45.100 0.132 0.000 0.796 319 G HN 0.399 nan 8.290 nan 0.000 0.654 320 E N 0.333 120.603 120.200 0.116 0.000 2.106 320 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 320 E C 2.174 178.840 176.600 0.109 0.000 0.984 320 E CA 2.462 58.940 56.400 0.131 0.000 0.806 320 E CB -0.007 29.764 29.700 0.119 0.000 0.750 320 E HN 0.669 nan 8.360 nan 0.000 0.458 321 E N 0.499 120.754 120.200 0.091 0.000 2.150 321 E HA 0.057 4.407 4.350 -0.000 0.000 0.193 321 E C 0.473 177.108 176.600 0.060 0.000 0.985 321 E CA 0.904 57.346 56.400 0.071 0.000 0.814 321 E CB -0.404 29.336 29.700 0.066 0.000 0.752 321 E HN 0.281 nan 8.360 nan 0.000 0.466 322 A N 2.773 125.639 122.820 0.076 0.000 2.484 322 A HA 0.151 4.471 4.320 -0.000 0.000 0.268 322 A C -1.357 176.260 177.584 0.055 0.000 1.114 322 A CA -1.122 50.954 52.037 0.065 0.000 0.780 322 A CB 0.135 19.195 19.000 0.100 0.000 1.061 322 A HN 0.006 nan 8.150 nan 0.000 0.505 323 P HA -0.058 nan 4.420 nan 0.000 0.217 323 P C 0.281 177.620 177.300 0.065 0.000 1.150 323 P CA 1.023 64.135 63.100 0.021 0.000 0.832 323 P CB 0.068 31.761 31.700 -0.011 0.000 0.787 324 V N 0.190 120.163 119.914 0.098 0.000 2.417 324 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 324 V C 1.203 177.424 176.094 0.212 0.000 1.024 324 V CA -0.094 62.316 62.300 0.182 0.000 0.861 324 V CB 1.279 33.240 31.823 0.231 0.000 0.985 324 V HN -0.011 nan 8.190 nan 0.000 0.436 325 A N 4.448 127.425 122.820 0.262 0.000 2.220 325 A HA 0.328 4.648 4.320 -0.000 0.000 0.211 325 A C 0.145 177.975 177.584 0.411 0.000 1.176 325 A CA 0.510 52.728 52.037 0.302 0.000 0.834 325 A CB 0.142 19.312 19.000 0.283 0.000 0.868 325 A HN 0.775 nan 8.150 nan 0.000 0.488 326 Y N -0.182 120.259 120.300 0.236 0.000 2.436 326 Y HA 0.451 5.001 4.550 0.000 0.000 0.327 326 Y C -0.416 175.549 175.900 0.109 0.000 1.138 326 Y CA -0.366 57.856 58.100 0.203 0.000 1.042 326 Y CB 1.441 40.068 38.460 0.279 0.000 1.302 326 Y HN 0.125 nan 8.280 nan 0.000 0.439 327 T N 3.936 118.194 114.554 -0.494 0.000 2.906 327 T HA 0.877 5.227 4.350 -0.000 0.000 0.295 327 T C -1.490 172.806 174.700 -0.674 0.000 1.075 327 T CA -0.826 60.984 62.100 -0.483 0.000 1.005 327 T CB 1.915 70.470 68.868 -0.522 0.000 1.136 327 T HN 0.598 nan 8.240 nan 0.000 0.498 328 L N 1.032 121.983 121.223 -0.453 0.000 2.409 328 L HA 0.487 4.827 4.340 -0.000 0.000 0.262 328 L C -0.635 176.047 176.870 -0.313 0.000 0.992 328 L CA -1.268 53.354 54.840 -0.364 0.000 0.817 328 L CB 2.214 44.143 42.059 -0.216 0.000 1.350 328 L HN 0.744 nan 8.230 nan 0.000 0.411 329 D N 0.972 121.214 120.400 -0.264 0.000 2.487 329 D HA -0.059 4.581 4.640 -0.000 0.000 0.243 329 D C -0.197 176.115 176.300 0.019 0.000 1.154 329 D CA 0.664 54.589 54.000 -0.125 0.000 0.876 329 D CB 1.126 41.973 40.800 0.079 0.000 1.161 329 D HN 0.521 nan 8.370 nan 0.000 0.478 330 D N 1.824 122.243 120.400 0.032 0.000 2.440 330 D HA 0.070 4.710 4.640 -0.000 0.000 0.216 330 D C -0.299 176.079 176.300 0.129 0.000 1.150 330 D CA -0.142 53.901 54.000 0.073 0.000 0.832 330 D CB 0.400 41.182 40.800 -0.030 0.000 0.992 330 D HN 0.245 nan 8.370 nan 0.000 0.502 331 T N 1.618 116.289 114.554 0.196 0.000 2.946 331 T HA -0.006 4.344 4.350 -0.000 0.000 0.311 331 T C 0.542 175.316 174.700 0.125 0.000 1.063 331 T CA -0.013 62.202 62.100 0.191 0.000 1.139 331 T CB 0.729 69.715 68.868 0.197 0.000 0.994 331 T HN -0.054 nan 8.240 nan 0.000 0.547 332 K N 3.781 124.220 120.400 0.064 0.000 2.276 332 K HA 0.080 4.400 4.320 -0.000 0.000 0.259 332 K C -1.383 175.114 176.600 -0.171 0.000 1.001 332 K CA -1.830 54.401 56.287 -0.095 0.000 0.927 332 K CB 0.164 32.634 32.500 -0.050 0.000 0.969 332 K HN 0.347 nan 8.250 nan 0.000 0.490 333 P HA -0.124 nan 4.420 nan 0.000 0.220 333 P C 0.321 177.546 177.300 -0.125 0.000 1.148 333 P CA 1.310 64.202 63.100 -0.348 0.000 0.803 333 P CB 0.344 31.707 31.700 -0.561 0.000 0.782 334 E N -0.850 119.297 120.200 -0.089 0.000 2.418 334 E HA 0.120 4.470 4.350 -0.000 0.000 0.197 334 E C 1.593 178.186 176.600 -0.012 0.000 1.026 334 E CA 1.045 57.430 56.400 -0.026 0.000 0.862 334 E CB -0.802 28.904 29.700 0.010 0.000 0.799 334 E HN 0.322 nan 8.360 nan 0.000 0.518 335 G N 0.617 109.412 108.800 -0.008 0.000 2.176 335 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.232 335 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.232 335 G C 0.061 174.960 174.900 -0.001 0.000 0.986 335 G CA 0.207 45.302 45.100 -0.009 0.000 0.643 335 G HN 0.359 nan 8.290 nan 0.000 0.522 336 N N -0.726 117.997 118.700 0.038 0.000 2.563 336 N HA 0.547 5.287 4.740 -0.000 0.000 0.288 336 N C 0.487 176.100 175.510 0.172 0.000 1.246 336 N CA -0.911 52.147 53.050 0.013 0.000 0.946 336 N CB 0.091 38.519 38.487 -0.098 0.000 1.213 336 N HN 0.605 nan 8.380 nan 0.000 0.578 337 Y N -2.721 117.610 120.300 0.053 0.000 3.168 337 Y HA -0.172 4.378 4.550 0.000 0.000 0.207 337 Y C 0.592 176.629 175.900 0.230 0.000 1.280 337 Y CA 0.303 58.486 58.100 0.138 0.000 1.235 337 Y CB -2.345 36.161 38.460 0.078 0.000 1.370 337 Y HN 0.772 nan 8.280 nan 0.000 0.537 338 A N 0.302 123.285 122.820 0.272 0.000 2.584 338 A HA 0.525 4.845 4.320 -0.000 0.000 0.239 338 A C 0.756 178.590 177.584 0.418 0.000 1.043 338 A CA 0.692 52.901 52.037 0.287 0.000 0.756 338 A CB 0.063 19.160 19.000 0.162 0.000 0.963 338 A HN 1.523 nan 8.150 nan 0.000 0.511 339 A N 2.502 125.577 122.820 0.426 0.000 2.605 339 A HA 0.631 4.951 4.320 -0.000 0.000 0.294 339 A C -0.987 176.610 177.584 0.021 0.000 1.062 339 A CA -0.538 51.569 52.037 0.116 0.000 0.682 339 A CB 0.984 19.740 19.000 -0.406 0.000 1.278 339 A HN 0.721 nan 8.150 nan 0.000 0.410 340 I N 2.507 122.984 120.570 -0.156 0.000 2.406 340 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 340 I C -0.218 175.750 176.117 -0.248 0.000 0.999 340 I CA -0.379 60.693 61.300 -0.381 0.000 1.124 340 I CB 1.655 39.274 38.000 -0.635 0.000 1.289 340 I HN 0.749 nan 8.210 nan 0.000 0.441 341 M N 5.609 125.057 119.600 -0.253 0.000 2.209 341 M HA 0.615 5.095 4.480 -0.000 0.000 0.355 341 M C -0.357 175.801 176.300 -0.236 0.000 1.171 341 M CA -0.153 55.026 55.300 -0.203 0.000 1.069 341 M CB 1.227 33.723 32.600 -0.173 0.000 1.622 341 M HN 0.712 nan 8.290 nan 0.000 0.459 342 G N 4.311 113.024 108.800 -0.146 0.000 2.612 342 G HA2 0.689 4.649 3.960 -0.000 0.000 0.298 342 G HA3 0.689 4.649 3.960 -0.000 0.000 0.298 342 G C -1.973 172.878 174.900 -0.082 0.000 1.336 342 G CA -0.538 44.521 45.100 -0.068 0.000 0.953 342 G HN 0.652 nan 8.290 nan 0.000 0.482 343 F N 0.625 120.726 119.950 0.251 0.000 2.436 343 F HA 0.490 5.017 4.527 0.000 0.000 0.340 343 F C 0.556 176.475 175.800 0.199 0.000 1.113 343 F CA -0.700 57.450 58.000 0.249 0.000 1.022 343 F CB 2.101 41.278 39.000 0.296 0.000 1.128 343 F HN 0.058 nan 8.300 nan 0.000 0.466 344 I N 5.308 126.096 120.570 0.362 0.000 2.304 344 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 344 I C -0.662 175.556 176.117 0.168 0.000 1.018 344 I CA -0.325 61.103 61.300 0.213 0.000 1.260 344 I CB 0.812 38.903 38.000 0.152 0.000 1.390 344 I HN 0.384 nan 8.210 nan 0.000 0.475 345 L N 6.460 127.741 121.223 0.097 0.000 2.325 345 L HA 0.707 5.047 4.340 -0.000 0.000 0.278 345 L C 0.957 177.801 176.870 -0.044 0.000 1.023 345 L CA -0.235 54.623 54.840 0.030 0.000 0.811 345 L CB 1.527 43.613 42.059 0.046 0.000 1.249 345 L HN 0.904 nan 8.230 nan 0.000 0.431 346 A N 2.116 124.904 122.820 -0.053 0.000 5.308 346 A HA -0.370 3.950 4.320 -0.000 0.000 0.321 346 A C 1.736 179.318 177.584 -0.005 0.000 1.849 346 A CA 1.640 53.651 52.037 -0.043 0.000 0.713 346 A CB -1.642 17.329 19.000 -0.048 0.000 1.360 346 A HN 1.093 nan 8.150 nan 0.000 0.384 347 H N 1.029 120.095 119.070 -0.007 0.000 2.457 347 H HA -0.049 4.507 4.556 -0.000 0.000 0.297 347 H C 1.677 177.027 175.328 0.036 0.000 1.092 347 H CA 1.877 57.938 56.048 0.021 0.000 1.309 347 H CB -0.380 29.402 29.762 0.034 0.000 1.382 347 H HN 0.744 nan 8.280 nan 0.000 0.535 348 K N 0.751 120.820 120.400 -0.550 0.000 2.148 348 K HA 0.072 4.392 4.320 -0.000 0.000 0.204 348 K C 2.597 179.145 176.600 -0.088 0.000 1.050 348 K CA 0.871 56.962 56.287 -0.328 0.000 0.942 348 K CB 0.028 32.348 32.500 -0.300 0.000 0.724 348 K HN 0.325 nan 8.250 nan 0.000 0.446 349 A N 1.868 124.665 122.820 -0.039 0.000 1.933 349 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 349 A C 2.032 179.637 177.584 0.036 0.000 1.175 349 A CA 1.293 53.349 52.037 0.031 0.000 0.628 349 A CB -0.304 18.729 19.000 0.056 0.000 0.814 349 A HN 0.213 nan 8.150 nan 0.000 0.444 350 R N -0.552 119.968 120.500 0.033 0.000 2.062 350 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 350 R C 2.381 178.708 176.300 0.045 0.000 1.128 350 R CA 1.343 57.472 56.100 0.047 0.000 0.960 350 R CB -0.347 29.992 30.300 0.065 0.000 0.855 350 R HN 0.551 nan 8.270 nan 0.000 0.432 351 K N 1.386 121.813 120.400 0.045 0.000 2.002 351 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 351 K C 1.907 178.525 176.600 0.031 0.000 1.048 351 K CA 1.314 57.630 56.287 0.048 0.000 0.930 351 K CB -0.026 32.513 32.500 0.064 0.000 0.714 351 K HN 0.128 nan 8.250 nan 0.000 0.438 352 L N 0.360 121.595 121.223 0.021 0.000 2.554 352 L HA 0.046 4.386 4.340 -0.000 0.000 0.226 352 L C 2.277 179.166 176.870 0.032 0.000 1.137 352 L CA 0.313 55.167 54.840 0.023 0.000 0.863 352 L CB -0.214 41.857 42.059 0.020 0.000 0.985 352 L HN 0.230 nan 8.230 nan 0.000 0.451 353 A N 0.475 123.316 122.820 0.036 0.000 2.070 353 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 353 A C 2.330 179.931 177.584 0.028 0.000 1.159 353 A CA 0.991 53.049 52.037 0.036 0.000 0.656 353 A CB -0.358 18.664 19.000 0.036 0.000 0.800 353 A HN 0.361 nan 8.150 nan 0.000 0.453 354 R N -0.628 119.887 120.500 0.025 0.000 2.189 354 R HA 0.076 4.416 4.340 -0.000 0.000 0.223 354 R C 0.231 176.541 176.300 0.017 0.000 1.092 354 R CA 0.244 56.356 56.100 0.020 0.000 0.989 354 R CB -0.453 29.859 30.300 0.020 0.000 0.876 354 R HN 0.440 nan 8.270 nan 0.000 0.457 355 L N 0.713 121.947 121.223 0.019 0.000 2.475 355 L HA 0.100 4.440 4.340 -0.000 0.000 0.253 355 L C 1.089 177.971 176.870 0.019 0.000 1.198 355 L CA -0.430 54.419 54.840 0.014 0.000 0.814 355 L CB 0.446 42.511 42.059 0.010 0.000 1.134 355 L HN 0.118 nan 8.230 nan 0.000 0.478 356 T N -2.876 111.686 114.554 0.014 0.000 2.849 356 T HA 0.123 4.473 4.350 -0.000 0.000 0.284 356 T C 0.871 175.591 174.700 0.033 0.000 1.004 356 T CA -0.666 61.446 62.100 0.020 0.000 1.021 356 T CB 1.285 70.160 68.868 0.012 0.000 1.013 356 T HN 0.654 nan 8.240 nan 0.000 0.527 357 K N 0.289 120.724 120.400 0.058 0.000 2.063 357 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 357 K C 1.933 178.560 176.600 0.046 0.000 1.048 357 K CA 1.899 58.257 56.287 0.119 0.000 0.928 357 K CB -0.202 32.385 32.500 0.145 0.000 0.713 357 K HN 0.689 nan 8.250 nan 0.000 0.442 358 E N 0.709 120.913 120.200 0.006 0.000 2.106 358 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 358 E C 1.803 178.352 176.600 -0.085 0.000 0.984 358 E CA 1.364 57.734 56.400 -0.050 0.000 0.806 358 E CB 0.016 29.703 29.700 -0.023 0.000 0.750 358 E HN 0.397 nan 8.360 nan 0.000 0.458 359 E N 0.251 120.420 120.200 -0.052 0.000 2.077 359 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 359 E C 2.145 178.694 176.600 -0.084 0.000 0.989 359 E CA 0.789 57.156 56.400 -0.055 0.000 0.800 359 E CB -0.027 29.657 29.700 -0.026 0.000 0.746 359 E HN 0.121 nan 8.360 nan 0.000 0.452 360 R N 0.286 120.740 120.500 -0.077 0.000 2.081 360 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 360 R C 2.492 178.635 176.300 -0.262 0.000 1.131 360 R CA 0.860 56.903 56.100 -0.096 0.000 0.960 360 R CB -0.376 29.934 30.300 0.017 0.000 0.856 360 R HN 0.129 nan 8.270 nan 0.000 0.436 361 L N 1.801 122.742 121.223 -0.469 0.000 2.012 361 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 361 L C 2.205 178.854 176.870 -0.368 0.000 1.073 361 L CA 1.919 56.331 54.840 -0.715 0.000 0.748 361 L CB -0.459 41.125 42.059 -0.792 0.000 0.891 361 L HN 0.011 nan 8.230 nan 0.000 0.431 362 K N -0.504 119.755 120.400 -0.234 0.000 2.026 362 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 362 K C 2.185 178.696 176.600 -0.148 0.000 1.048 362 K CA 1.744 57.942 56.287 -0.149 0.000 0.929 362 K CB -0.106 32.336 32.500 -0.097 0.000 0.713 362 K HN 0.343 nan 8.250 nan 0.000 0.439 363 K N 0.194 120.503 120.400 -0.151 0.000 2.057 363 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 363 K C 2.106 178.571 176.600 -0.224 0.000 1.049 363 K CA 1.178 57.381 56.287 -0.141 0.000 0.931 363 K CB -0.105 32.333 32.500 -0.103 0.000 0.714 363 K HN 0.052 nan 8.250 nan 0.000 0.440 364 L N 0.790 121.823 121.223 -0.317 0.000 2.027 364 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 364 L C 2.449 178.883 176.870 -0.727 0.000 1.074 364 L CA 1.523 56.003 54.840 -0.600 0.000 0.745 364 L CB -0.704 41.034 42.059 -0.535 0.000 0.898 364 L HN 0.234 nan 8.230 nan 0.000 0.433 365 C N -0.680 118.415 119.300 -0.341 0.000 2.429 365 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 365 C C 2.639 177.602 174.990 -0.046 0.000 1.262 365 C CA 0.636 59.605 59.018 -0.082 0.000 1.733 365 C CB -0.808 26.942 27.740 0.016 0.000 2.010 365 C HN 0.548 nan 8.230 nan 0.000 0.483 366 E N 0.233 120.378 120.200 -0.092 0.000 2.150 366 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 366 E C 1.984 178.554 176.600 -0.051 0.000 0.985 366 E CA 0.785 57.156 56.400 -0.047 0.000 0.814 366 E CB -0.227 29.444 29.700 -0.048 0.000 0.752 366 E HN 0.519 nan 8.360 nan 0.000 0.466 367 L N 0.339 121.487 121.223 -0.125 0.000 1.994 367 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 367 L C 2.003 178.884 176.870 0.018 0.000 1.071 367 L CA 1.742 56.521 54.840 -0.101 0.000 0.745 367 L CB -0.627 41.334 42.059 -0.163 0.000 0.892 367 L HN 0.193 nan 8.230 nan 0.000 0.431 368 Y N -0.621 119.664 120.300 -0.024 0.000 2.224 368 Y HA -0.261 4.289 4.550 -0.000 0.000 0.289 368 Y C 2.544 178.456 175.900 0.020 0.000 1.146 368 Y CA 0.335 58.426 58.100 -0.016 0.000 1.182 368 Y CB -0.557 37.933 38.460 0.049 0.000 0.983 368 Y HN 0.399 nan 8.280 nan 0.000 0.524 369 A N 0.496 123.431 122.820 0.192 0.000 1.908 369 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 369 A C 2.148 179.785 177.584 0.087 0.000 1.181 369 A CA 1.948 54.061 52.037 0.127 0.000 0.627 369 A CB -0.597 18.449 19.000 0.077 0.000 0.818 369 A HN 0.381 nan 8.150 nan 0.000 0.445 370 K N -0.561 119.869 120.400 0.050 0.000 2.002 370 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 370 K C 1.895 178.505 176.600 0.016 0.000 1.048 370 K CA 1.634 57.940 56.287 0.032 0.000 0.930 370 K CB -0.275 32.223 32.500 -0.003 0.000 0.714 370 K HN 0.263 nan 8.250 nan 0.000 0.438 371 V N 1.468 121.333 119.914 -0.082 0.000 2.358 371 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 371 V C 2.047 178.106 176.094 -0.059 0.000 1.047 371 V CA 1.500 63.714 62.300 -0.144 0.000 1.035 371 V CB -0.296 31.382 31.823 -0.241 0.000 0.658 371 V HN 0.307 nan 8.190 nan 0.000 0.452 372 L N 0.399 121.619 121.223 -0.006 0.000 2.591 372 L HA 0.291 4.631 4.340 -0.000 0.000 0.228 372 L C 1.645 178.652 176.870 0.228 0.000 1.133 372 L CA 0.684 55.559 54.840 0.059 0.000 0.880 372 L CB -0.686 41.484 42.059 0.186 0.000 1.033 372 L HN 0.536 nan 8.230 nan 0.000 0.450 373 G N 0.754 109.647 108.800 0.154 0.000 2.356 373 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.296 373 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.296 373 G C -0.024 174.963 174.900 0.146 0.000 1.022 373 G CA 0.519 45.707 45.100 0.148 0.000 0.961 373 G HN 0.346 nan 8.290 nan 0.000 0.510 374 S N -0.763 115.020 115.700 0.137 0.000 2.733 374 S HA 0.452 4.922 4.470 -0.000 0.000 0.294 374 S C 1.242 175.828 174.600 -0.023 0.000 1.149 374 S CA -0.742 57.506 58.200 0.081 0.000 1.034 374 S CB 1.665 64.989 63.200 0.205 0.000 1.015 374 S HN 0.251 nan 8.310 nan 0.000 0.486 375 L N 2.087 123.274 121.223 -0.061 0.000 2.191 375 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 375 L C 2.216 178.985 176.870 -0.168 0.000 1.103 375 L CA 1.291 56.084 54.840 -0.078 0.000 0.769 375 L CB -0.348 41.677 42.059 -0.056 0.000 0.908 375 L HN 0.691 nan 8.230 nan 0.000 0.438 376 E N 0.294 120.270 120.200 -0.373 0.000 2.209 376 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 376 E C 2.226 178.460 176.600 -0.610 0.000 0.993 376 E CA 0.969 56.990 56.400 -0.632 0.000 0.819 376 E CB -0.156 28.828 29.700 -1.195 0.000 0.745 376 E HN 0.528 nan 8.360 nan 0.000 0.477 377 A N 0.798 123.360 122.820 -0.430 0.000 2.121 377 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 377 A C 1.913 179.672 177.584 0.292 0.000 1.154 377 A CA 0.735 52.802 52.037 0.051 0.000 0.679 377 A CB -0.317 18.845 19.000 0.271 0.000 0.795 377 A HN 0.165 nan 8.150 nan 0.000 0.458 378 L N -1.187 120.111 121.223 0.124 0.000 2.591 378 L HA 0.119 4.459 4.340 -0.000 0.000 0.228 378 L C 0.362 177.314 176.870 0.136 0.000 1.133 378 L CA 0.253 55.163 54.840 0.117 0.000 0.880 378 L CB -0.025 42.059 42.059 0.043 0.000 1.033 378 L HN 0.206 nan 8.230 nan 0.000 0.450 379 E N 0.913 121.242 120.200 0.216 0.000 3.312 379 E HA 0.189 4.539 4.350 -0.000 0.000 0.215 379 E C -2.239 174.530 176.600 0.281 0.000 1.160 379 E CA -1.744 54.770 56.400 0.191 0.000 1.267 379 E CB 0.620 30.389 29.700 0.114 0.000 1.361 379 E HN 0.059 nan 8.360 nan 0.000 0.433 380 P HA -0.029 nan 4.420 nan 0.000 0.272 380 P C 0.742 178.071 177.300 0.049 0.000 1.223 380 P CA -0.076 62.987 63.100 -0.061 0.000 0.784 380 P CB 1.630 33.252 31.700 -0.130 0.000 0.923 381 V N -1.993 117.968 119.914 0.079 0.000 3.565 381 V HA 0.314 4.434 4.120 -0.000 0.000 0.260 381 V C 0.489 176.708 176.094 0.209 0.000 1.231 381 V CA 0.797 63.180 62.300 0.138 0.000 1.100 381 V CB -1.129 30.780 31.823 0.144 0.000 0.807 381 V HN 0.663 nan 8.190 nan 0.000 0.454 382 H N -1.143 117.998 119.070 0.117 0.000 3.003 382 H HA 0.633 5.189 4.556 -0.000 0.000 0.327 382 H C -2.275 173.262 175.328 0.349 0.000 1.353 382 H CA -0.727 55.408 56.048 0.145 0.000 1.142 382 H CB 2.040 31.782 29.762 -0.034 0.000 1.864 382 H HN 0.160 nan 8.280 nan 0.000 0.529 383 Y N 1.561 121.611 120.300 -0.417 0.000 2.479 383 Y HA 0.492 5.042 4.550 -0.000 0.000 0.338 383 Y C -1.695 174.097 175.900 -0.181 0.000 1.055 383 Y CA -0.612 57.418 58.100 -0.117 0.000 1.023 383 Y CB 1.689 40.085 38.460 -0.106 0.000 1.287 383 Y HN 0.617 nan 8.280 nan 0.000 0.447 384 E N 4.451 124.406 120.200 -0.408 0.000 2.317 384 E HA 0.431 4.781 4.350 -0.000 0.000 0.270 384 E C -1.442 174.785 176.600 -0.623 0.000 0.885 384 E CA -0.808 55.357 56.400 -0.391 0.000 0.760 384 E CB 2.807 32.519 29.700 0.020 0.000 1.227 384 E HN 0.781 nan 8.360 nan 0.000 0.434 385 E N 0.280 120.233 120.200 -0.412 0.000 2.430 385 E HA 0.697 5.047 4.350 -0.000 0.000 0.279 385 E C -1.247 175.311 176.600 -0.070 0.000 1.003 385 E CA -1.094 55.164 56.400 -0.238 0.000 0.801 385 E CB 2.320 31.869 29.700 -0.252 0.000 1.313 385 E HN 0.129 nan 8.360 nan 0.000 0.459 386 K N 1.186 121.593 120.400 0.012 0.000 2.581 386 K HA 0.312 4.632 4.320 -0.000 0.000 0.249 386 K C -1.818 174.758 176.600 -0.041 0.000 0.966 386 K CA -0.575 55.662 56.287 -0.084 0.000 0.811 386 K CB 1.585 33.992 32.500 -0.156 0.000 1.223 386 K HN 0.510 nan 8.250 nan 0.000 0.438 387 N N 4.282 122.920 118.700 -0.102 0.000 2.437 387 N HA 0.133 4.873 4.740 -0.000 0.000 0.243 387 N C -0.296 175.167 175.510 -0.078 0.000 1.041 387 N CA -0.365 52.686 53.050 0.002 0.000 0.940 387 N CB 0.297 38.793 38.487 0.016 0.000 1.133 387 N HN 0.689 nan 8.380 nan 0.000 0.506 388 W N 2.176 123.526 121.300 0.083 0.000 2.699 388 W HA 0.051 4.711 4.660 -0.000 0.000 0.249 388 W C 1.974 178.519 176.519 0.043 0.000 1.280 388 W CA -0.091 57.297 57.345 0.071 0.000 1.345 388 W CB -0.189 29.331 29.460 0.100 0.000 1.128 388 W HN 0.586 nan 8.180 nan 0.000 0.642 389 C N 0.490 119.903 119.300 0.189 0.000 2.419 389 C HA -0.171 4.289 4.460 -0.000 0.000 0.283 389 C C 2.367 177.390 174.990 0.055 0.000 1.373 389 C CA 1.479 60.563 59.018 0.110 0.000 1.781 389 C CB -1.468 26.320 27.740 0.081 0.000 1.886 389 C HN 0.501 nan 8.230 nan 0.000 0.520 390 E N 0.808 121.019 120.200 0.018 0.000 2.478 390 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 390 E C -0.041 176.536 176.600 -0.039 0.000 1.045 390 E CA 0.384 56.770 56.400 -0.024 0.000 0.868 390 E CB -0.196 29.474 29.700 -0.050 0.000 0.885 390 E HN 0.508 nan 8.360 nan 0.000 0.505 391 E N 2.217 122.414 120.200 -0.006 0.000 2.129 391 E HA -0.021 4.329 4.350 -0.000 0.000 0.283 391 E C 0.487 177.077 176.600 -0.016 0.000 1.080 391 E CA 0.023 56.425 56.400 0.004 0.000 0.867 391 E CB 1.479 31.239 29.700 0.099 0.000 1.056 391 E HN 0.357 nan 8.360 nan 0.000 0.404 392 Q N 2.937 122.666 119.800 -0.119 0.000 2.135 392 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 392 Q C 0.352 176.124 176.000 -0.379 0.000 0.981 392 Q CA 1.653 57.270 55.803 -0.311 0.000 0.856 392 Q CB 0.086 28.512 28.738 -0.521 0.000 0.902 392 Q HN 0.596 nan 8.270 nan 0.000 0.425 393 Y N -0.962 119.368 120.300 0.051 0.000 2.571 393 Y HA 0.262 4.812 4.550 -0.000 0.000 0.275 393 Y C 1.450 177.412 175.900 0.103 0.000 1.179 393 Y CA -0.311 57.828 58.100 0.065 0.000 1.242 393 Y CB 0.891 39.382 38.460 0.051 0.000 1.126 393 Y HN 0.070 nan 8.280 nan 0.000 0.524 394 S N -1.568 114.258 115.700 0.210 0.000 2.807 394 S HA 0.294 4.764 4.470 -0.000 0.000 0.247 394 S C 1.841 176.524 174.600 0.138 0.000 1.078 394 S CA 0.574 58.904 58.200 0.216 0.000 0.867 394 S CB 0.552 63.964 63.200 0.354 0.000 0.797 394 S HN 0.530 nan 8.310 nan 0.000 0.515 395 G N 0.999 109.862 108.800 0.106 0.000 2.225 395 G HA2 0.091 4.051 3.960 -0.000 0.000 0.254 395 G HA3 0.091 4.051 3.960 -0.000 0.000 0.254 395 G C 0.476 175.421 174.900 0.076 0.000 0.988 395 G CA 0.047 45.179 45.100 0.053 0.000 0.625 395 G HN 1.373 nan 8.290 nan 0.000 0.527 396 G N -2.362 106.524 108.800 0.144 0.000 2.356 396 G HA2 0.520 4.480 3.960 -0.000 0.000 0.288 396 G HA3 0.520 4.480 3.960 -0.000 0.000 0.288 396 G C -0.988 174.000 174.900 0.148 0.000 1.302 396 G CA 0.315 45.508 45.100 0.155 0.000 0.887 396 G HN 1.445 nan 8.290 nan 0.000 0.521 397 C N -1.558 117.787 119.300 0.075 0.000 3.288 397 C HA 0.608 5.068 4.460 -0.000 0.000 0.318 397 C C 0.799 175.671 174.990 -0.197 0.000 1.356 397 C CA -0.633 58.361 59.018 -0.040 0.000 1.359 397 C CB 0.851 28.480 27.740 -0.185 0.000 1.688 397 C HN 0.728 nan 8.230 nan 0.000 0.467 398 Y N 0.590 120.829 120.300 -0.102 0.000 2.337 398 Y HA 0.225 4.775 4.550 -0.000 0.000 0.293 398 Y C 1.563 177.429 175.900 -0.057 0.000 1.123 398 Y CA 1.119 59.126 58.100 -0.156 0.000 1.201 398 Y CB -0.438 37.901 38.460 -0.202 0.000 1.011 398 Y HN 0.682 nan 8.280 nan 0.000 0.545 399 T N -1.932 112.702 114.554 0.133 0.000 2.665 399 T HA 0.333 4.683 4.350 -0.000 0.000 0.303 399 T C -0.840 173.963 174.700 0.171 0.000 1.334 399 T CA -0.708 61.510 62.100 0.197 0.000 1.011 399 T CB 1.052 70.126 68.868 0.343 0.000 1.573 399 T HN -0.155 nan 8.240 nan 0.000 0.492 400 T N 2.660 117.331 114.554 0.196 0.000 2.851 400 T HA 0.481 4.831 4.350 -0.000 0.000 0.298 400 T C -0.793 173.940 174.700 0.055 0.000 0.977 400 T CA 0.049 62.176 62.100 0.045 0.000 1.126 400 T CB -0.389 68.499 68.868 0.034 0.000 0.916 400 T HN 0.463 nan 8.240 nan 0.000 0.529 401 Y N 1.061 121.164 120.300 -0.328 0.000 2.496 401 Y HA 0.794 5.344 4.550 0.000 0.000 0.331 401 Y C -1.253 174.106 175.900 -0.902 0.000 1.140 401 Y CA -2.218 55.336 58.100 -0.910 0.000 1.166 401 Y CB 0.764 38.822 38.460 -0.670 0.000 1.249 401 Y HN 0.399 nan 8.280 nan 0.000 0.479 402 F N 3.211 122.397 119.950 -1.273 0.000 2.402 402 F HA 0.565 5.092 4.527 -0.000 0.000 0.355 402 F C -2.298 173.403 175.800 -0.165 0.000 1.123 402 F CA -2.746 54.882 58.000 -0.619 0.000 1.021 402 F CB 1.491 40.171 39.000 -0.535 0.000 1.160 402 F HN 0.365 nan 8.300 nan 0.000 0.451 403 P HA 0.117 nan 4.420 nan 0.000 0.273 403 P C -2.559 174.841 177.300 0.168 0.000 1.250 403 P CA -1.164 62.019 63.100 0.139 0.000 0.793 403 P CB -0.180 31.554 31.700 0.056 0.000 1.011 404 P HA -0.015 nan 4.420 nan 0.000 0.265 404 P C 0.904 178.296 177.300 0.154 0.000 1.193 404 P CA 1.221 64.422 63.100 0.170 0.000 0.765 404 P CB -0.087 31.695 31.700 0.137 0.000 0.823 405 G N 2.812 111.718 108.800 0.176 0.000 2.217 405 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G C 0.790 175.808 174.900 0.197 0.000 0.990 405 G CA 0.075 45.270 45.100 0.158 0.000 0.627 405 G HN 0.438 nan 8.290 nan 0.000 0.522 406 I N 0.131 120.849 120.570 0.246 0.000 2.494 406 I HA 0.167 4.337 4.170 -0.000 0.000 0.250 406 I C 2.604 178.969 176.117 0.412 0.000 1.112 406 I CA 1.268 62.769 61.300 0.334 0.000 1.438 406 I CB -1.110 37.006 38.000 0.193 0.000 1.111 406 I HN 0.277 nan 8.210 nan 0.000 0.431 407 L N 1.208 122.658 121.223 0.378 0.000 2.046 407 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 407 L C 2.615 179.573 176.870 0.146 0.000 1.077 407 L CA 2.411 57.362 54.840 0.185 0.000 0.747 407 L CB -0.894 41.172 42.059 0.011 0.000 0.896 407 L HN 0.407 nan 8.230 nan 0.000 0.432 408 T N -4.239 110.406 114.554 0.153 0.000 2.904 408 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 408 T C 1.808 176.478 174.700 -0.050 0.000 1.059 408 T CA 0.933 63.093 62.100 0.099 0.000 1.137 408 T CB -0.314 68.616 68.868 0.102 0.000 0.879 408 T HN 0.352 nan 8.240 nan 0.000 0.467 409 Q N -0.084 119.684 119.800 -0.053 0.000 2.163 409 Q HA 0.115 4.455 4.340 -0.000 0.000 0.198 409 Q C 1.182 176.875 176.000 -0.511 0.000 0.954 409 Q CA 1.199 56.829 55.803 -0.287 0.000 0.851 409 Q CB -0.013 28.545 28.738 -0.300 0.000 0.928 409 Q HN 0.768 nan 8.270 nan 0.000 0.459 410 Y N -1.614 118.623 120.300 -0.104 0.000 2.432 410 Y HA 0.265 4.815 4.550 -0.000 0.000 0.252 410 Y C 2.046 177.833 175.900 -0.188 0.000 1.097 410 Y CA 0.092 58.115 58.100 -0.129 0.000 1.250 410 Y CB 0.105 38.528 38.460 -0.061 0.000 1.245 410 Y HN 0.086 nan 8.280 nan 0.000 0.522 411 G N 1.822 110.554 108.800 -0.113 0.000 2.469 411 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 411 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 411 G C 1.770 176.235 174.900 -0.724 0.000 1.150 411 G CA 1.323 46.261 45.100 -0.271 0.000 0.763 411 G HN 0.417 nan 8.290 nan 0.000 0.561 412 R N 0.353 120.121 120.500 -1.220 0.000 2.237 412 R HA 0.068 4.408 4.340 -0.000 0.000 0.219 412 R C 2.108 178.179 176.300 -0.382 0.000 1.080 412 R CA 1.372 56.829 56.100 -1.071 0.000 0.995 412 R CB -0.692 28.994 30.300 -1.024 0.000 0.875 412 R HN 0.382 nan 8.270 nan 0.000 0.462 413 V N 0.837 120.586 119.914 -0.275 0.000 3.406 413 V HA 0.032 4.152 4.120 -0.000 0.000 0.263 413 V C 1.979 177.978 176.094 -0.158 0.000 1.172 413 V CA 0.416 62.617 62.300 -0.165 0.000 1.140 413 V CB -0.224 31.517 31.823 -0.137 0.000 0.784 413 V HN 0.309 nan 8.190 nan 0.000 0.467 414 L N 1.153 122.319 121.223 -0.094 0.000 1.997 414 L HA -0.212 4.128 4.340 -0.000 0.000 0.216 414 L C 2.632 179.452 176.870 -0.083 0.000 1.074 414 L CA 2.727 57.535 54.840 -0.053 0.000 0.763 414 L CB -0.255 41.871 42.059 0.112 0.000 0.890 414 L HN 0.512 nan 8.230 nan 0.000 0.434 415 R N -0.755 119.792 120.500 0.078 0.000 2.509 415 R HA 0.142 4.482 4.340 -0.000 0.000 0.300 415 R C 0.535 176.986 176.300 0.252 0.000 0.985 415 R CA -0.223 56.009 56.100 0.219 0.000 1.092 415 R CB -0.080 30.410 30.300 0.316 0.000 1.237 415 R HN 0.236 nan 8.270 nan 0.000 0.546 416 Q N 2.734 122.606 119.800 0.121 0.000 2.286 416 Q HA 0.183 4.523 4.340 -0.000 0.000 0.267 416 Q C -2.088 174.030 176.000 0.195 0.000 1.028 416 Q CA -2.068 53.806 55.803 0.119 0.000 0.901 416 Q CB 0.794 29.545 28.738 0.021 0.000 1.183 416 Q HN 0.020 nan 8.270 nan 0.000 0.392 417 P HA -0.055 nan 4.420 nan 0.000 0.267 417 P C -1.268 176.031 177.300 -0.002 0.000 1.200 417 P CA -0.044 63.010 63.100 -0.077 0.000 0.772 417 P CB 0.645 32.054 31.700 -0.485 0.000 0.855 418 V N 3.290 123.203 119.914 -0.002 0.000 2.284 418 V HA 0.149 4.269 4.120 -0.000 0.000 0.274 418 V C 0.672 176.723 176.094 -0.072 0.000 1.023 418 V CA 0.104 62.405 62.300 0.002 0.000 0.808 418 V CB 0.091 31.957 31.823 0.072 0.000 1.035 418 V HN 0.791 nan 8.190 nan 0.000 0.445 419 D N 4.103 124.465 120.400 -0.062 0.000 4.372 419 D HA -0.311 4.329 4.640 -0.000 0.000 0.169 419 D C 1.358 177.631 176.300 -0.046 0.000 0.680 419 D CA 2.455 56.434 54.000 -0.034 0.000 1.152 419 D CB -0.269 40.524 40.800 -0.011 0.000 0.585 419 D HN 0.557 nan 8.370 nan 0.000 0.493 420 R N -0.161 120.335 120.500 -0.007 0.000 2.432 420 R HA 0.444 4.784 4.340 -0.000 0.000 0.260 420 R C -0.165 176.211 176.300 0.126 0.000 0.935 420 R CA -0.147 56.038 56.100 0.141 0.000 1.080 420 R CB 0.425 30.758 30.300 0.055 0.000 1.155 420 R HN 0.298 nan 8.270 nan 0.000 0.531 421 I N 1.209 121.701 120.570 -0.130 0.000 2.331 421 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 421 I C -0.562 175.169 176.117 -0.642 0.000 0.998 421 I CA -0.597 60.544 61.300 -0.265 0.000 1.267 421 I CB 0.646 38.466 38.000 -0.299 0.000 1.386 421 I HN -0.089 nan 8.210 nan 0.000 0.476 422 Y N 5.251 125.296 120.300 -0.425 0.000 2.528 422 Y HA 0.554 5.104 4.550 -0.000 0.000 0.335 422 Y C -0.557 175.008 175.900 -0.558 0.000 1.093 422 Y CA -0.703 57.185 58.100 -0.354 0.000 1.134 422 Y CB 1.610 39.991 38.460 -0.131 0.000 1.253 422 Y HN 0.282 nan 8.280 nan 0.000 0.478 423 F N 1.244 121.306 119.950 0.188 0.000 2.427 423 F HA 0.714 5.241 4.527 -0.000 0.000 0.348 423 F C 0.384 176.263 175.800 0.132 0.000 1.125 423 F CA -0.605 57.477 58.000 0.137 0.000 0.989 423 F CB 1.129 40.194 39.000 0.108 0.000 1.165 423 F HN 0.596 nan 8.300 nan 0.000 0.442 424 A N 2.270 125.240 122.820 0.249 0.000 3.444 424 A HA 0.957 5.277 4.320 -0.000 0.000 0.189 424 A C 0.383 178.097 177.584 0.217 0.000 1.542 424 A CA -0.402 51.746 52.037 0.186 0.000 0.867 424 A CB 0.009 19.076 19.000 0.112 0.000 1.712 424 A HN 1.505 nan 8.150 nan 0.000 0.556 425 G N -2.529 106.378 108.800 0.178 0.000 2.785 425 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 0.429 175.459 174.900 0.217 0.000 1.155 425 G CA 0.604 45.817 45.100 0.188 0.000 0.760 425 G HN 1.545 nan 8.290 nan 0.000 0.624 426 T N 0.193 114.877 114.554 0.215 0.000 2.849 426 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 426 T C 2.106 177.005 174.700 0.332 0.000 1.066 426 T CA 2.691 64.945 62.100 0.256 0.000 1.130 426 T CB -0.172 68.842 68.868 0.244 0.000 0.864 426 T HN 0.623 nan 8.240 nan 0.000 0.481 427 E N 0.456 120.859 120.200 0.337 0.000 2.265 427 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 427 E C 2.242 179.100 176.600 0.430 0.000 0.996 427 E CA 1.516 58.168 56.400 0.420 0.000 0.832 427 E CB -0.181 29.732 29.700 0.355 0.000 0.756 427 E HN 0.710 nan 8.360 nan 0.000 0.491 428 T N -2.565 112.204 114.554 0.359 0.000 3.107 428 T HA 0.439 4.789 4.350 -0.000 0.000 0.249 428 T C 0.834 175.772 174.700 0.397 0.000 1.096 428 T CA 0.023 62.336 62.100 0.356 0.000 1.012 428 T CB 0.175 69.229 68.868 0.310 0.000 0.977 428 T HN 0.096 nan 8.240 nan 0.000 0.527 429 A N 1.730 124.787 122.820 0.396 0.000 2.346 429 A HA 0.540 4.860 4.320 -0.000 0.000 0.252 429 A C 1.505 179.359 177.584 0.451 0.000 1.089 429 A CA 0.156 52.428 52.037 0.391 0.000 0.797 429 A CB 0.302 19.493 19.000 0.318 0.000 1.047 429 A HN 0.523 nan 8.150 nan 0.000 0.494 430 T N -2.753 112.045 114.554 0.406 0.000 3.003 430 T HA 0.246 4.596 4.350 -0.000 0.000 0.261 430 T C 0.212 175.026 174.700 0.190 0.000 1.003 430 T CA 0.616 62.914 62.100 0.331 0.000 0.917 430 T CB -0.350 68.660 68.868 0.236 0.000 1.084 430 T HN 0.754 nan 8.240 nan 0.000 0.522 431 H N -0.949 118.158 119.070 0.062 0.000 3.018 431 H HA 0.275 4.831 4.556 -0.000 0.000 0.334 431 H C -0.988 174.376 175.328 0.061 0.000 0.983 431 H CA -1.052 54.964 56.048 -0.053 0.000 1.363 431 H CB 0.880 30.669 29.762 0.045 0.000 1.668 431 H HN 0.304 nan 8.280 nan 0.000 0.513 432 W N 2.150 123.192 121.300 -0.429 0.000 5.121 432 W HA -0.248 4.412 4.660 -0.000 0.000 0.372 432 W C 0.527 176.985 176.519 -0.100 0.000 1.394 432 W CA 0.948 58.021 57.345 -0.455 0.000 0.885 432 W CB -1.764 27.340 29.460 -0.592 0.000 2.520 432 W HN 0.397 nan 8.180 nan 0.000 1.455 433 S N 0.480 116.216 115.700 0.061 0.000 2.558 433 S HA 0.360 4.830 4.470 -0.000 0.000 0.293 433 S C 1.441 176.243 174.600 0.337 0.000 1.292 433 S CA 1.842 60.186 58.200 0.241 0.000 1.063 433 S CB 0.712 64.120 63.200 0.346 0.000 0.831 433 S HN 1.455 nan 8.310 nan 0.000 0.499 434 G N 3.064 112.140 108.800 0.461 0.000 2.234 434 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.235 434 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.235 434 G C -0.163 174.860 174.900 0.205 0.000 0.997 434 G CA 0.296 45.672 45.100 0.460 0.000 0.623 434 G HN 0.686 nan 8.290 nan 0.000 0.514 435 Y N -0.413 120.006 120.300 0.198 0.000 2.602 435 Y HA 0.714 5.264 4.550 -0.000 0.000 0.330 435 Y C 2.016 177.962 175.900 0.076 0.000 1.114 435 Y CA -0.700 57.469 58.100 0.115 0.000 1.182 435 Y CB 0.816 39.336 38.460 0.100 0.000 1.305 435 Y HN -0.020 nan 8.280 nan 0.000 0.502 436 M N -0.151 119.563 119.600 0.189 0.000 2.149 436 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 436 M C 1.855 178.220 176.300 0.109 0.000 1.064 436 M CA 1.967 57.341 55.300 0.123 0.000 1.102 436 M CB -0.261 32.403 32.600 0.108 0.000 1.369 436 M HN 0.781 nan 8.290 nan 0.000 0.408 437 E N 0.783 121.025 120.200 0.070 0.000 2.049 437 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 437 E C 1.964 178.630 176.600 0.110 0.000 1.007 437 E CA 2.147 58.555 56.400 0.015 0.000 0.809 437 E CB -0.716 28.869 29.700 -0.192 0.000 0.749 437 E HN 0.433 nan 8.360 nan 0.000 0.450 438 G N -0.010 108.904 108.800 0.190 0.000 2.432 438 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 438 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 438 G C 1.707 176.723 174.900 0.194 0.000 1.135 438 G CA 1.121 46.354 45.100 0.222 0.000 0.767 438 G HN 0.482 nan 8.290 nan 0.000 0.550 439 A N 0.253 123.175 122.820 0.171 0.000 1.908 439 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 439 A C 2.615 180.262 177.584 0.105 0.000 1.181 439 A CA 1.975 54.094 52.037 0.138 0.000 0.627 439 A CB -0.637 18.433 19.000 0.116 0.000 0.818 439 A HN 0.272 nan 8.150 nan 0.000 0.445 440 V N 0.033 120.002 119.914 0.091 0.000 2.307 440 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 440 V C 2.529 178.664 176.094 0.068 0.000 1.045 440 V CA 2.177 64.516 62.300 0.065 0.000 1.024 440 V CB -0.812 31.042 31.823 0.052 0.000 0.651 440 V HN 0.746 nan 8.190 nan 0.000 0.449 441 E N 0.541 120.801 120.200 0.100 0.000 2.049 441 E HA -0.293 4.057 4.350 -0.000 0.000 0.198 441 E C 2.221 178.861 176.600 0.067 0.000 1.007 441 E CA 1.848 58.315 56.400 0.112 0.000 0.809 441 E CB -0.198 29.617 29.700 0.192 0.000 0.749 441 E HN 0.547 nan 8.360 nan 0.000 0.450 442 A N 0.626 123.508 122.820 0.103 0.000 1.930 442 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 442 A C 2.417 180.022 177.584 0.035 0.000 1.175 442 A CA 1.657 53.744 52.037 0.085 0.000 0.627 442 A CB -1.018 18.080 19.000 0.163 0.000 0.815 442 A HN 0.455 nan 8.150 nan 0.000 0.443 443 G N -0.365 108.461 108.800 0.044 0.000 2.421 443 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 443 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 443 G C 1.445 176.331 174.900 -0.023 0.000 1.171 443 G CA 0.991 46.103 45.100 0.020 0.000 0.775 443 G HN 0.646 nan 8.290 nan 0.000 0.543 444 E N -0.270 119.911 120.200 -0.031 0.000 2.107 444 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 444 E C 2.523 179.048 176.600 -0.126 0.000 0.982 444 E CA 0.172 56.536 56.400 -0.059 0.000 0.809 444 E CB -0.100 29.581 29.700 -0.032 0.000 0.756 444 E HN 0.287 nan 8.360 nan 0.000 0.459 445 R N 1.116 121.506 120.500 -0.183 0.000 2.073 445 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 445 R C 2.209 178.332 176.300 -0.295 0.000 1.134 445 R CA 1.430 57.309 56.100 -0.368 0.000 0.952 445 R CB -0.248 29.676 30.300 -0.626 0.000 0.850 445 R HN 0.137 nan 8.270 nan 0.000 0.433 446 A N 0.878 123.597 122.820 -0.168 0.000 1.902 446 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 446 A C 2.404 179.878 177.584 -0.183 0.000 1.181 446 A CA 1.772 53.746 52.037 -0.104 0.000 0.623 446 A CB -0.740 18.261 19.000 0.001 0.000 0.818 446 A HN 0.549 nan 8.150 nan 0.000 0.443 447 A N -0.068 122.661 122.820 -0.150 0.000 1.883 447 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 447 A C 2.246 179.705 177.584 -0.208 0.000 1.186 447 A CA 1.672 53.613 52.037 -0.162 0.000 0.624 447 A CB -0.497 18.444 19.000 -0.099 0.000 0.822 447 A HN 0.561 nan 8.150 nan 0.000 0.444 448 R N -0.480 119.905 120.500 -0.192 0.000 2.148 448 R HA -0.080 4.260 4.340 -0.000 0.000 0.227 448 R C 2.032 178.210 176.300 -0.203 0.000 1.103 448 R CA 1.211 57.204 56.100 -0.177 0.000 0.983 448 R CB -0.266 29.939 30.300 -0.159 0.000 0.874 448 R HN 0.685 nan 8.270 nan 0.000 0.451 449 E N 0.725 120.762 120.200 -0.271 0.000 2.085 449 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 449 E C 1.951 178.242 176.600 -0.516 0.000 0.994 449 E CA 1.167 57.390 56.400 -0.295 0.000 0.801 449 E CB -0.089 29.457 29.700 -0.257 0.000 0.743 449 E HN 0.344 nan 8.360 nan 0.000 0.453 450 I N 0.902 121.037 120.570 -0.725 0.000 2.252 450 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 450 I C 2.322 178.121 176.117 -0.530 0.000 1.102 450 I CA 0.807 61.589 61.300 -0.864 0.000 1.385 450 I CB -0.169 37.356 38.000 -0.792 0.000 1.064 450 I HN 0.109 nan 8.210 nan 0.000 0.414 451 L N -0.002 121.034 121.223 -0.311 0.000 2.079 451 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 451 L C 2.725 179.524 176.870 -0.118 0.000 1.081 451 L CA 1.655 56.389 54.840 -0.177 0.000 0.752 451 L CB -0.903 41.089 42.059 -0.112 0.000 0.896 451 L HN 0.365 nan 8.230 nan 0.000 0.433 452 H N 0.047 119.007 119.070 -0.184 0.000 2.357 452 H HA -0.090 4.466 4.556 0.000 0.000 0.301 452 H C 2.139 177.407 175.328 -0.100 0.000 1.082 452 H CA 1.428 57.408 56.048 -0.112 0.000 1.342 452 H CB 0.045 29.759 29.762 -0.080 0.000 1.389 452 H HN 0.246 nan 8.280 nan 0.000 0.511 453 A N 0.541 123.200 122.820 -0.269 0.000 1.978 453 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 453 A C 2.255 179.745 177.584 -0.156 0.000 1.170 453 A CA 1.855 53.752 52.037 -0.232 0.000 0.636 453 A CB -0.659 18.196 19.000 -0.241 0.000 0.810 453 A HN 0.573 nan 8.150 nan 0.000 0.448 454 M N -1.282 118.209 119.600 -0.182 0.000 2.618 454 M HA 0.160 4.640 4.480 -0.000 0.000 0.240 454 M C 1.310 177.569 176.300 -0.068 0.000 1.123 454 M CA 0.720 55.984 55.300 -0.059 0.000 1.060 454 M CB 0.124 32.694 32.600 -0.050 0.000 1.535 454 M HN 0.612 nan 8.290 nan 0.000 0.507 455 G N 1.220 109.941 108.800 -0.133 0.000 2.153 455 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 455 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 455 G C 0.844 175.714 174.900 -0.050 0.000 0.994 455 G CA 0.564 45.601 45.100 -0.105 0.000 0.698 455 G HN 0.482 nan 8.290 nan 0.000 0.521 456 K N -0.563 119.809 120.400 -0.046 0.000 2.314 456 K HA 0.330 4.650 4.320 -0.000 0.000 0.198 456 K C 1.332 177.932 176.600 -0.001 0.000 1.045 456 K CA 1.242 57.514 56.287 -0.024 0.000 0.988 456 K CB 0.262 32.741 32.500 -0.035 0.000 0.783 456 K HN 0.803 nan 8.250 nan 0.000 0.484 457 I N -1.891 118.695 120.570 0.026 0.000 2.865 457 I HA 0.461 4.631 4.170 -0.000 0.000 0.302 457 I C -2.952 173.254 176.117 0.149 0.000 1.140 457 I CA -3.018 58.317 61.300 0.058 0.000 1.021 457 I CB 2.281 40.300 38.000 0.032 0.000 1.233 457 I HN -0.253 nan 8.210 nan 0.000 0.427 458 P HA 0.094 nan 4.420 nan 0.000 0.274 458 P C 0.212 177.542 177.300 0.049 0.000 1.246 458 P CA -0.031 63.153 63.100 0.139 0.000 0.795 458 P CB 1.083 32.824 31.700 0.068 0.000 1.006 459 E N 0.846 120.993 120.200 -0.089 0.000 2.118 459 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 459 E C 0.995 177.506 176.600 -0.150 0.000 0.992 459 E CA 1.591 57.737 56.400 -0.423 0.000 0.804 459 E CB -0.148 29.374 29.700 -0.297 0.000 0.741 459 E HN 0.504 nan 8.360 nan 0.000 0.458 460 D N -0.240 120.136 120.400 -0.039 0.000 2.378 460 D HA -0.129 4.511 4.640 -0.000 0.000 0.227 460 D C 0.833 177.154 176.300 0.036 0.000 1.012 460 D CA 0.519 54.529 54.000 0.017 0.000 0.905 460 D CB -0.215 40.598 40.800 0.021 0.000 0.895 460 D HN 0.279 nan 8.370 nan 0.000 0.532 461 E N -0.421 119.785 120.200 0.010 0.000 2.481 461 E HA 0.195 4.545 4.350 -0.000 0.000 0.198 461 E C 1.849 178.444 176.600 -0.009 0.000 1.027 461 E CA -0.284 56.124 56.400 0.015 0.000 0.900 461 E CB 0.393 30.099 29.700 0.009 0.000 0.993 461 E HN 0.289 nan 8.360 nan 0.000 0.482 462 I N 0.046 120.598 120.570 -0.030 0.000 2.179 462 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 462 I C 0.470 176.459 176.117 -0.213 0.000 1.088 462 I CA 1.143 62.362 61.300 -0.134 0.000 1.357 462 I CB 0.076 37.990 38.000 -0.143 0.000 1.051 462 I HN 0.090 nan 8.210 nan 0.000 0.409 463 W N 1.308 122.604 121.300 -0.007 0.000 2.361 463 W HA 0.524 5.184 4.660 -0.000 0.000 0.309 463 W C 0.020 176.544 176.519 0.008 0.000 1.122 463 W CA -0.214 57.139 57.345 0.012 0.000 1.208 463 W CB 0.678 30.148 29.460 0.017 0.000 1.246 463 W HN -0.059 nan 8.180 nan 0.000 0.490 464 Q N 2.375 122.297 119.800 0.204 0.000 2.304 464 Q HA 0.376 4.716 4.340 -0.000 0.000 0.270 464 Q C 0.065 176.140 176.000 0.125 0.000 1.035 464 Q CA -0.523 55.354 55.803 0.123 0.000 0.781 464 Q CB 1.696 30.471 28.738 0.061 0.000 1.261 464 Q HN 0.547 nan 8.270 nan 0.000 0.444 465 S N 2.275 118.034 115.700 0.097 0.000 2.584 465 S HA 0.261 4.731 4.470 -0.000 0.000 0.270 465 S C -0.146 174.495 174.600 0.069 0.000 1.346 465 S CA -0.497 57.750 58.200 0.078 0.000 1.018 465 S CB 1.250 64.480 63.200 0.049 0.000 0.899 465 S HN 0.642 nan 8.310 nan 0.000 0.542 466 E N 1.007 121.249 120.200 0.069 0.000 2.199 466 E HA 0.569 4.919 4.350 -0.000 0.000 0.265 466 E C -2.797 173.832 176.600 0.049 0.000 0.882 466 E CA -2.159 54.279 56.400 0.063 0.000 0.759 466 E CB 1.000 30.749 29.700 0.082 0.000 1.148 466 E HN 0.548 nan 8.360 nan 0.000 0.412 467 P HA 0.061 nan 4.420 nan 0.000 0.268 467 P C -0.763 176.555 177.300 0.031 0.000 1.205 467 P CA -0.153 62.964 63.100 0.029 0.000 0.771 467 P CB 0.515 32.229 31.700 0.023 0.000 0.858 468 E N 1.832 122.049 120.200 0.027 0.000 2.414 468 E HA 0.077 4.427 4.350 -0.000 0.000 0.263 468 E C -0.099 176.512 176.600 0.018 0.000 1.000 468 E CA -0.310 56.106 56.400 0.026 0.000 0.914 468 E CB 0.418 30.131 29.700 0.022 0.000 0.948 468 E HN 0.378 nan 8.360 nan 0.000 0.444 469 S N 2.830 118.538 115.700 0.014 0.000 2.552 469 S HA -0.048 4.422 4.470 -0.000 0.000 0.289 469 S C 1.161 175.765 174.600 0.006 0.000 1.304 469 S CA -0.091 58.114 58.200 0.008 0.000 1.063 469 S CB 0.832 64.031 63.200 -0.002 0.000 0.848 469 S HN 0.542 nan 8.310 nan 0.000 0.499 470 V N 1.861 121.780 119.914 0.008 0.000 2.951 470 V HA 0.071 4.191 4.120 -0.000 0.000 0.255 470 V C 1.466 177.563 176.094 0.005 0.000 1.088 470 V CA 1.413 63.717 62.300 0.007 0.000 1.109 470 V CB -0.549 31.279 31.823 0.009 0.000 0.724 470 V HN 0.806 nan 8.190 nan 0.000 0.471 471 D N 1.051 121.453 120.400 0.005 0.000 2.213 471 D HA 0.090 4.730 4.640 -0.000 0.000 0.205 471 D C 0.799 177.094 176.300 -0.009 0.000 0.961 471 D CA 1.146 55.148 54.000 0.003 0.000 0.853 471 D CB 0.755 41.561 40.800 0.010 0.000 0.967 471 D HN 0.508 nan 8.370 nan 0.000 0.496 472 V N 3.790 123.693 119.914 -0.018 0.000 2.320 472 V HA 0.200 4.320 4.120 -0.000 0.000 0.257 472 V C -2.375 173.704 176.094 -0.025 0.000 0.996 472 V CA -1.274 61.005 62.300 -0.035 0.000 0.928 472 V CB 1.232 33.015 31.823 -0.066 0.000 1.169 472 V HN -0.040 nan 8.190 nan 0.000 0.475 473 P HA 0.378 nan 4.420 nan 0.000 0.274 473 P C -0.426 176.871 177.300 -0.006 0.000 1.231 473 P CA -0.019 63.077 63.100 -0.006 0.000 0.790 473 P CB 1.649 33.347 31.700 -0.002 0.000 0.951 474 A N 3.161 125.984 122.820 0.004 0.000 2.260 474 A HA 0.313 4.633 4.320 -0.000 0.000 0.314 474 A C 0.300 177.890 177.584 0.010 0.000 1.257 474 A CA -0.548 51.496 52.037 0.011 0.000 0.871 474 A CB 0.197 19.215 19.000 0.030 0.000 1.166 474 A HN 0.433 nan 8.150 nan 0.000 0.522 475 Q N 2.776 122.581 119.800 0.007 0.000 2.327 475 Q HA 0.308 4.648 4.340 -0.000 0.000 0.254 475 Q C -2.237 173.768 176.000 0.009 0.000 0.952 475 Q CA -1.663 54.144 55.803 0.006 0.000 0.884 475 Q CB 0.603 29.343 28.738 0.004 0.000 1.224 475 Q HN 0.562 nan 8.270 nan 0.000 0.422 476 P HA 0.154 nan 4.420 nan 0.000 0.272 476 P C -0.303 176.999 177.300 0.004 0.000 1.230 476 P CA -0.336 62.766 63.100 0.004 0.000 0.788 476 P CB 0.720 32.420 31.700 -0.000 0.000 0.949 477 I N 2.100 122.669 120.570 -0.001 0.000 2.396 477 I HA 0.153 4.323 4.170 -0.000 0.000 0.289 477 I C 1.204 177.317 176.117 -0.008 0.000 1.056 477 I CA 0.238 61.536 61.300 -0.002 0.000 1.365 477 I CB -0.031 37.963 38.000 -0.010 0.000 1.407 477 I HN 0.409 nan 8.210 nan 0.000 0.509 478 T N 2.136 116.689 114.554 -0.001 0.000 2.912 478 T HA 0.806 5.156 4.350 -0.000 0.000 0.288 478 T C 0.025 174.720 174.700 -0.009 0.000 1.030 478 T CA -0.694 61.404 62.100 -0.003 0.000 1.020 478 T CB 2.176 71.049 68.868 0.008 0.000 1.056 478 T HN 0.646 nan 8.240 nan 0.000 0.480 479 T N -1.273 113.272 114.554 -0.015 0.000 2.916 479 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 479 T C 0.267 174.970 174.700 0.006 0.000 1.055 479 T CA -0.724 61.361 62.100 -0.025 0.000 1.009 479 T CB 1.347 70.175 68.868 -0.067 0.000 1.118 479 T HN 1.008 nan 8.240 nan 0.000 0.497 480 T N -0.470 114.094 114.554 0.016 0.000 2.874 480 T HA 0.407 4.757 4.350 -0.000 0.000 0.281 480 T C 0.863 175.621 174.700 0.097 0.000 0.994 480 T CA -0.840 61.304 62.100 0.073 0.000 1.015 480 T CB 0.638 69.556 68.868 0.082 0.000 1.028 480 T HN 0.543 nan 8.240 nan 0.000 0.523 481 F N 0.867 120.839 119.950 0.038 0.000 2.095 481 F HA -0.033 4.494 4.527 0.000 0.000 0.298 481 F C 1.936 177.806 175.800 0.116 0.000 1.104 481 F CA 1.478 59.539 58.000 0.101 0.000 1.232 481 F CB -0.487 38.575 39.000 0.104 0.000 0.987 481 F HN 0.509 nan 8.300 nan 0.000 0.475 482 L N -0.037 121.287 121.223 0.169 0.000 2.046 482 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 482 L C 2.410 179.264 176.870 -0.026 0.000 1.077 482 L CA 1.679 56.562 54.840 0.072 0.000 0.747 482 L CB -0.771 41.379 42.059 0.151 0.000 0.896 482 L HN 0.183 nan 8.230 nan 0.000 0.432 483 E N -0.123 120.062 120.200 -0.024 0.000 2.085 483 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 483 E C 2.351 178.837 176.600 -0.190 0.000 0.994 483 E CA 1.144 57.495 56.400 -0.083 0.000 0.801 483 E CB -0.022 29.634 29.700 -0.074 0.000 0.743 483 E HN 0.391 nan 8.360 nan 0.000 0.453 484 R N -0.475 119.848 120.500 -0.294 0.000 2.092 484 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 484 R C 1.743 177.643 176.300 -0.668 0.000 1.119 484 R CA 1.023 56.812 56.100 -0.519 0.000 0.970 484 R CB 0.045 29.928 30.300 -0.694 0.000 0.864 484 R HN 0.305 nan 8.270 nan 0.000 0.440 485 H N -0.929 117.939 119.070 -0.336 0.000 3.046 485 H HA 0.206 4.762 4.556 -0.000 0.000 0.262 485 H C 0.385 175.592 175.328 -0.201 0.000 1.044 485 H CA -0.201 55.647 56.048 -0.333 0.000 1.209 485 H CB 0.482 29.887 29.762 -0.595 0.000 1.507 485 H HN 0.021 nan 8.280 nan 0.000 0.507 486 L N 4.447 125.634 121.223 -0.061 0.000 2.514 486 L HA 0.045 4.385 4.340 -0.000 0.000 0.280 486 L C -1.642 175.202 176.870 -0.043 0.000 1.223 486 L CA -1.342 53.489 54.840 -0.015 0.000 0.864 486 L CB 0.289 42.372 42.059 0.040 0.000 1.118 486 L HN -0.006 nan 8.230 nan 0.000 0.494 487 P HA 0.114 nan 4.420 nan 0.000 0.274 487 P C -0.590 176.655 177.300 -0.091 0.000 1.237 487 P CA -0.578 62.483 63.100 -0.065 0.000 0.793 487 P CB 1.034 32.697 31.700 -0.062 0.000 0.977 488 S N 0.284 115.910 115.700 -0.124 0.000 2.626 488 S HA 0.078 4.548 4.470 -0.000 0.000 0.257 488 S C 1.519 175.972 174.600 -0.246 0.000 1.288 488 S CA -0.531 57.567 58.200 -0.170 0.000 0.980 488 S CB -0.398 62.696 63.200 -0.176 0.000 0.975 488 S HN 0.223 nan 8.310 nan 0.000 0.577 489 V N 2.379 122.074 119.914 -0.365 0.000 2.261 489 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 489 V C -0.419 175.246 176.094 -0.715 0.000 1.047 489 V CA 1.921 63.914 62.300 -0.510 0.000 1.015 489 V CB -1.906 29.594 31.823 -0.539 0.000 0.642 489 V HN 0.805 nan 8.190 nan 0.000 0.446 490 P HA -0.104 nan 4.420 nan 0.000 0.218 490 P C 1.754 178.849 177.300 -0.341 0.000 1.149 490 P CA 1.935 64.586 63.100 -0.747 0.000 0.817 490 P CB -0.287 31.087 31.700 -0.543 0.000 0.785 491 G N 0.827 109.466 108.800 -0.268 0.000 2.446 491 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 491 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 491 G C 1.527 176.346 174.900 -0.135 0.000 1.168 491 G CA 0.693 45.699 45.100 -0.157 0.000 0.771 491 G HN 0.247 nan 8.290 nan 0.000 0.551 492 L N 0.460 121.589 121.223 -0.157 0.000 2.046 492 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 492 L C 2.701 179.506 176.870 -0.107 0.000 1.077 492 L CA 1.351 56.123 54.840 -0.114 0.000 0.747 492 L CB -0.365 41.629 42.059 -0.108 0.000 0.896 492 L HN 0.220 nan 8.230 nan 0.000 0.432 493 L N -1.123 120.008 121.223 -0.154 0.000 2.083 493 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 493 L C 2.782 179.608 176.870 -0.073 0.000 1.083 493 L CA 0.969 55.740 54.840 -0.115 0.000 0.752 493 L CB -0.572 41.393 42.059 -0.157 0.000 0.899 493 L HN 0.237 nan 8.230 nan 0.000 0.433 494 R N -0.220 120.232 120.500 -0.081 0.000 2.073 494 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 494 R C 2.209 178.488 176.300 -0.036 0.000 1.134 494 R CA 1.264 57.336 56.100 -0.048 0.000 0.952 494 R CB -0.360 29.910 30.300 -0.048 0.000 0.850 494 R HN 0.202 nan 8.270 nan 0.000 0.433 495 L N 0.653 121.850 121.223 -0.042 0.000 2.083 495 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 495 L C 2.155 179.012 176.870 -0.023 0.000 1.083 495 L CA 1.523 56.345 54.840 -0.030 0.000 0.752 495 L CB -0.467 41.573 42.059 -0.031 0.000 0.899 495 L HN 0.172 nan 8.230 nan 0.000 0.433 496 I N -1.385 119.169 120.570 -0.027 0.000 2.353 496 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 496 I C 2.460 178.570 176.117 -0.011 0.000 1.119 496 I CA 1.095 62.385 61.300 -0.018 0.000 1.417 496 I CB -0.822 37.167 38.000 -0.019 0.000 1.078 496 I HN 0.296 nan 8.210 nan 0.000 0.421 497 G N 1.182 109.974 108.800 -0.013 0.000 2.422 497 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 497 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 497 G C 1.692 176.589 174.900 -0.004 0.000 1.146 497 G CA 0.585 45.682 45.100 -0.006 0.000 0.769 497 G HN 0.273 nan 8.290 nan 0.000 0.547 498 L N 0.233 121.451 121.223 -0.007 0.000 2.209 498 L HA 0.020 4.360 4.340 -0.000 0.000 0.207 498 L C 3.047 179.914 176.870 -0.004 0.000 1.094 498 L CA 1.188 56.025 54.840 -0.005 0.000 0.790 498 L CB -0.497 41.558 42.059 -0.007 0.000 0.932 498 L HN 0.126 nan 8.230 nan 0.000 0.447 499 T N -1.360 113.191 114.554 -0.005 0.000 2.904 499 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 499 T C 1.795 176.494 174.700 -0.002 0.000 1.059 499 T CA 1.648 63.746 62.100 -0.003 0.000 1.137 499 T CB -0.168 68.697 68.868 -0.004 0.000 0.879 499 T HN 0.284 nan 8.240 nan 0.000 0.467 500 T N 1.081 115.635 114.554 -0.001 0.000 3.085 500 T HA 0.321 4.671 4.350 -0.000 0.000 0.263 500 T C 0.905 175.606 174.700 0.002 0.000 1.127 500 T CA 0.658 62.759 62.100 0.001 0.000 1.103 500 T CB -0.586 68.284 68.868 0.002 0.000 0.921 500 T HN 0.523 nan 8.240 nan 0.000 0.510 501 I N 0.000 120.571 120.570 0.001 0.000 2.984 501 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 501 I CA 0.000 61.301 61.300 0.002 0.000 1.566 501 I CB 0.000 38.001 38.000 0.002 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494