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 2c66_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.481 175.510 -0.049 0.000 1.280 3 N CA 0.000 52.916 53.050 -0.224 0.000 0.885 3 N CB 0.000 38.406 38.487 -0.135 0.000 1.341 4 K N 1.145 121.543 120.400 -0.003 0.000 2.123 4 K HA 0.684 5.004 4.320 0.000 0.000 0.259 4 K C -0.037 176.597 176.600 0.056 0.000 0.960 4 K CA -0.512 55.791 56.287 0.028 0.000 0.872 4 K CB 2.306 34.811 32.500 0.008 0.000 1.079 4 K HN 0.689 nan 8.250 nan 0.000 0.440 5 C N -1.553 117.783 119.300 0.061 0.000 3.249 5 C HA 0.301 4.761 4.460 0.000 0.000 0.350 5 C C 0.470 175.493 174.990 0.055 0.000 1.431 5 C CA -0.774 58.282 59.018 0.063 0.000 1.209 5 C CB 0.700 28.493 27.740 0.087 0.000 1.546 5 C HN 0.861 nan 8.230 nan 0.000 0.450 6 D N 0.457 120.893 120.400 0.060 0.000 2.110 6 D HA 0.113 4.753 4.640 0.000 0.000 0.202 6 D C 0.461 176.828 176.300 0.111 0.000 0.975 6 D CA 1.734 55.780 54.000 0.077 0.000 0.839 6 D CB 0.158 41.003 40.800 0.075 0.000 0.996 6 D HN 0.521 nan 8.370 nan 0.000 0.464 7 V N 1.572 121.542 119.914 0.094 0.000 2.638 7 V HA 0.262 4.382 4.120 0.000 0.000 0.306 7 V C -0.045 176.083 176.094 0.056 0.000 1.052 7 V CA -0.865 61.492 62.300 0.095 0.000 0.885 7 V CB 2.721 34.588 31.823 0.073 0.000 0.999 7 V HN -0.219 nan 8.190 nan 0.000 0.424 8 V N 5.158 125.100 119.914 0.047 0.000 2.432 8 V HA 0.387 4.507 4.120 0.000 0.000 0.275 8 V C -0.057 176.030 176.094 -0.011 0.000 1.043 8 V CA -0.372 61.926 62.300 -0.002 0.000 0.925 8 V CB 1.773 33.587 31.823 -0.016 0.000 0.985 8 V HN 0.638 nan 8.190 nan 0.000 0.466 9 V N 6.187 126.080 119.914 -0.034 0.000 2.347 9 V HA 0.313 4.433 4.120 0.000 0.000 0.280 9 V C -0.016 176.050 176.094 -0.046 0.000 1.021 9 V CA -0.615 61.669 62.300 -0.027 0.000 0.847 9 V CB 1.754 33.565 31.823 -0.020 0.000 0.990 9 V HN 0.616 nan 8.190 nan 0.000 0.444 10 V N 4.537 124.434 119.914 -0.029 0.000 2.408 10 V HA 0.762 4.882 4.120 0.000 0.000 0.267 10 V C 0.783 176.877 176.094 0.001 0.000 1.047 10 V CA 0.499 62.783 62.300 -0.027 0.000 0.937 10 V CB 0.327 32.149 31.823 -0.002 0.000 0.999 10 V HN 1.274 nan 8.190 nan 0.000 0.472 11 G N 3.627 112.416 108.800 -0.018 0.000 3.225 11 G HA2 0.205 4.165 3.960 0.000 0.000 0.686 11 G HA3 0.205 4.165 3.960 0.000 0.000 0.686 11 G C 0.017 174.918 174.900 0.003 0.000 1.105 11 G CA -0.540 44.563 45.100 0.005 0.000 0.831 11 G HN 1.271 nan 8.290 nan 0.000 0.578 12 G N 0.888 109.688 108.800 -0.000 0.000 4.486 12 G HA2 0.704 4.664 3.960 0.000 0.000 0.306 12 G HA3 0.704 4.664 3.960 0.000 0.000 0.306 12 G C 0.797 175.714 174.900 0.028 0.000 1.331 12 G CA 0.888 45.989 45.100 0.003 0.000 1.113 12 G HN 1.285 nan 8.290 nan 0.000 0.594 13 G N -0.198 108.630 108.800 0.047 0.000 2.525 13 G HA2 0.387 4.347 3.960 0.000 0.000 0.287 13 G HA3 0.387 4.347 3.960 0.000 0.000 0.287 13 G C 1.158 176.089 174.900 0.051 0.000 1.350 13 G CA -0.812 44.326 45.100 0.064 0.000 1.039 13 G HN 0.158 nan 8.290 nan 0.000 0.513 14 I N -0.504 120.100 120.570 0.057 0.000 2.264 14 I HA -0.212 3.958 4.170 0.000 0.000 0.248 14 I C 3.015 179.161 176.117 0.049 0.000 1.111 14 I CA 1.516 62.843 61.300 0.046 0.000 1.382 14 I CB -0.093 37.940 38.000 0.055 0.000 1.060 14 I HN 0.467 nan 8.210 nan 0.000 0.418 15 S N 0.565 116.306 115.700 0.068 0.000 2.348 15 S HA -0.141 4.329 4.470 0.000 0.000 0.221 15 S C 2.133 176.763 174.600 0.050 0.000 1.033 15 S CA 1.665 59.909 58.200 0.073 0.000 1.010 15 S CB -0.724 62.537 63.200 0.103 0.000 0.891 15 S HN 0.571 nan 8.310 nan 0.000 0.442 16 G N 2.161 110.989 108.800 0.046 0.000 2.514 16 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 16 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 16 G C 1.468 176.372 174.900 0.007 0.000 1.198 16 G CA 1.369 46.484 45.100 0.025 0.000 0.780 16 G HN 0.390 nan 8.290 nan 0.000 0.565 17 M N 1.293 120.895 119.600 0.004 0.000 2.073 17 M HA -0.069 4.411 4.480 0.000 0.000 0.258 17 M C 3.043 179.335 176.300 -0.013 0.000 1.070 17 M CA 1.502 56.795 55.300 -0.012 0.000 1.103 17 M CB -1.587 31.005 32.600 -0.013 0.000 1.321 17 M HN 0.335 nan 8.290 nan 0.000 0.405 18 A N 0.079 122.899 122.820 -0.001 0.000 1.908 18 A HA -0.041 4.279 4.320 0.000 0.000 0.218 18 A C 2.463 180.045 177.584 -0.003 0.000 1.181 18 A CA 2.475 54.512 52.037 -0.001 0.000 0.627 18 A CB -1.044 17.963 19.000 0.011 0.000 0.818 18 A HN 0.512 nan 8.150 nan 0.000 0.445 19 A N -0.189 122.630 122.820 -0.001 0.000 1.908 19 A HA 0.115 4.435 4.320 0.000 0.000 0.218 19 A C 2.526 180.104 177.584 -0.010 0.000 1.181 19 A CA 2.320 54.350 52.037 -0.011 0.000 0.627 19 A CB -1.061 17.933 19.000 -0.010 0.000 0.818 19 A HN 1.090 nan 8.150 nan 0.000 0.445 20 A N -0.169 122.646 122.820 -0.007 0.000 1.873 20 A HA -0.163 4.157 4.320 0.000 0.000 0.215 20 A C 2.124 179.716 177.584 0.013 0.000 1.186 20 A CA 2.086 54.122 52.037 -0.001 0.000 0.616 20 A CB -0.529 18.459 19.000 -0.019 0.000 0.823 20 A HN 0.585 nan 8.150 nan 0.000 0.442 21 K N -0.350 120.044 120.400 -0.010 0.000 2.044 21 K HA -0.181 4.139 4.320 0.000 0.000 0.210 21 K C 1.985 178.619 176.600 0.056 0.000 1.049 21 K CA 1.836 58.124 56.287 0.003 0.000 0.927 21 K CB -0.392 32.096 32.500 -0.019 0.000 0.713 21 K HN 0.439 nan 8.250 nan 0.000 0.443 22 L N 0.980 122.218 121.223 0.025 0.000 2.012 22 L HA -0.197 4.143 4.340 0.000 0.000 0.210 22 L C 2.255 179.137 176.870 0.021 0.000 1.073 22 L CA 1.285 56.135 54.840 0.016 0.000 0.748 22 L CB -0.198 41.854 42.059 -0.010 0.000 0.891 22 L HN 0.296 nan 8.230 nan 0.000 0.431 23 L N -0.926 120.309 121.223 0.019 0.000 2.017 23 L HA -0.300 4.040 4.340 0.000 0.000 0.208 23 L C 2.620 179.521 176.870 0.050 0.000 1.073 23 L CA 1.844 56.692 54.840 0.013 0.000 0.745 23 L CB -0.862 41.200 42.059 0.005 0.000 0.894 23 L HN 0.466 nan 8.230 nan 0.000 0.432 24 H N -0.163 118.895 119.070 -0.019 0.000 2.387 24 H HA -0.188 4.368 4.556 0.000 0.000 0.299 24 H C 1.727 177.047 175.328 -0.013 0.000 1.090 24 H CA 1.812 57.852 56.048 -0.012 0.000 1.332 24 H CB 0.111 29.866 29.762 -0.010 0.000 1.386 24 H HN 0.248 nan 8.280 nan 0.000 0.516 25 D N -0.430 120.025 120.400 0.092 0.000 2.264 25 D HA -0.083 4.557 4.640 0.000 0.000 0.208 25 D C 1.884 178.158 176.300 -0.043 0.000 0.966 25 D CA 0.918 54.928 54.000 0.018 0.000 0.864 25 D CB -0.115 40.717 40.800 0.053 0.000 0.933 25 D HN 0.324 nan 8.370 nan 0.000 0.499 26 S N -1.179 114.497 115.700 -0.039 0.000 2.527 26 S HA 0.198 4.668 4.470 0.000 0.000 0.222 26 S C 1.651 176.212 174.600 -0.064 0.000 0.985 26 S CA 0.728 58.901 58.200 -0.045 0.000 0.921 26 S CB 0.554 63.733 63.200 -0.036 0.000 0.772 26 S HN 0.471 nan 8.310 nan 0.000 0.529 27 G N 0.613 109.349 108.800 -0.105 0.000 2.195 27 G HA2 -0.181 3.779 3.960 0.000 0.000 0.224 27 G HA3 -0.181 3.779 3.960 0.000 0.000 0.224 27 G C 0.061 174.914 174.900 -0.080 0.000 0.990 27 G CA -0.264 44.770 45.100 -0.110 0.000 0.639 27 G HN 0.406 nan 8.290 nan 0.000 0.514 28 L N 0.947 122.142 121.223 -0.048 0.000 2.453 28 L HA 0.352 4.692 4.340 0.000 0.000 0.261 28 L C 0.225 177.101 176.870 0.011 0.000 1.179 28 L CA -0.738 54.096 54.840 -0.010 0.000 0.813 28 L CB 0.298 42.361 42.059 0.007 0.000 1.110 28 L HN 0.048 nan 8.230 nan 0.000 0.466 29 N N 1.940 120.658 118.700 0.030 0.000 2.406 29 N HA 0.266 5.006 4.740 0.000 0.000 0.251 29 N C -0.700 174.849 175.510 0.066 0.000 1.069 29 N CA -0.096 52.985 53.050 0.053 0.000 0.947 29 N CB 1.650 40.166 38.487 0.047 0.000 1.111 29 N HN 0.375 nan 8.380 nan 0.000 0.497 30 V N 0.228 120.191 119.914 0.081 0.000 2.555 30 V HA 0.650 4.770 4.120 0.000 0.000 0.302 30 V C -0.077 176.045 176.094 0.048 0.000 1.038 30 V CA -0.758 61.579 62.300 0.062 0.000 0.887 30 V CB 1.833 33.691 31.823 0.057 0.000 0.991 30 V HN 0.141 nan 8.190 nan 0.000 0.434 31 V N 4.762 124.691 119.914 0.024 0.000 2.495 31 V HA 0.501 4.621 4.120 0.000 0.000 0.298 31 V C -0.115 175.938 176.094 -0.069 0.000 1.031 31 V CA -0.528 61.762 62.300 -0.016 0.000 0.871 31 V CB 1.990 33.803 31.823 -0.016 0.000 0.988 31 V HN 0.826 nan 8.190 nan 0.000 0.432 32 V N 6.633 126.498 119.914 -0.081 0.000 2.370 32 V HA 0.419 4.539 4.120 0.000 0.000 0.279 32 V C -0.129 175.877 176.094 -0.146 0.000 1.029 32 V CA -0.378 61.865 62.300 -0.094 0.000 0.870 32 V CB 1.414 33.201 31.823 -0.061 0.000 0.984 32 V HN 0.599 nan 8.190 nan 0.000 0.451 33 L N 4.850 125.968 121.223 -0.175 0.000 2.265 33 L HA 0.596 4.936 4.340 0.000 0.000 0.289 33 L C -0.193 176.593 176.870 -0.141 0.000 1.033 33 L CA -0.347 54.365 54.840 -0.212 0.000 0.814 33 L CB 1.477 43.364 42.059 -0.287 0.000 1.203 33 L HN 0.614 nan 8.230 nan 0.000 0.423 34 E N 2.483 122.604 120.200 -0.132 0.000 2.199 34 E HA 0.478 4.828 4.350 0.000 0.000 0.265 34 E C 0.196 176.690 176.600 -0.176 0.000 0.882 34 E CA -0.402 55.926 56.400 -0.121 0.000 0.759 34 E CB 2.065 31.717 29.700 -0.080 0.000 1.148 34 E HN 0.542 nan 8.360 nan 0.000 0.412 35 A N 5.358 128.013 122.820 -0.275 0.000 1.969 35 A HA 0.020 4.340 4.320 0.000 0.000 0.218 35 A C 1.086 178.418 177.584 -0.421 0.000 1.169 35 A CA 0.880 52.618 52.037 -0.499 0.000 0.635 35 A CB -0.110 18.243 19.000 -1.078 0.000 0.810 35 A HN 0.566 nan 8.150 nan 0.000 0.445 36 R N -0.174 120.166 120.500 -0.268 0.000 2.549 36 R HA 0.251 4.591 4.340 0.000 0.000 0.259 36 R C 0.115 176.364 176.300 -0.085 0.000 1.095 36 R CA 0.081 56.095 56.100 -0.142 0.000 1.148 36 R CB 0.245 30.502 30.300 -0.072 0.000 1.181 36 R HN 0.406 nan 8.270 nan 0.000 0.571 37 D N 0.443 120.813 120.400 -0.050 0.000 2.324 37 D HA -0.038 4.602 4.640 0.000 0.000 0.235 37 D C -0.126 176.167 176.300 -0.011 0.000 1.095 37 D CA 0.154 54.138 54.000 -0.027 0.000 0.871 37 D CB -0.029 40.762 40.800 -0.016 0.000 0.906 37 D HN 0.428 nan 8.370 nan 0.000 0.522 38 R N -1.448 119.045 120.500 -0.012 0.000 2.752 38 R HA 0.603 4.943 4.340 0.000 0.000 0.271 38 R C -0.855 175.459 176.300 0.023 0.000 1.026 38 R CA -1.141 54.971 56.100 0.019 0.000 0.901 38 R CB 1.153 31.483 30.300 0.049 0.000 1.243 38 R HN -0.108 nan 8.270 nan 0.000 0.463 39 V N -1.741 118.199 119.914 0.044 0.000 2.966 39 V HA 0.908 5.028 4.120 0.000 0.000 0.317 39 V C 0.781 176.932 176.094 0.094 0.000 1.070 39 V CA 0.337 62.665 62.300 0.047 0.000 1.008 39 V CB 0.905 32.743 31.823 0.025 0.000 1.070 39 V HN 1.200 nan 8.190 nan 0.000 0.457 40 G N -0.474 108.384 108.800 0.096 0.000 2.545 40 G HA2 0.253 4.213 3.960 0.000 0.000 0.195 40 G HA3 0.253 4.213 3.960 0.000 0.000 0.195 40 G C 1.403 176.391 174.900 0.146 0.000 1.009 40 G CA 0.654 45.831 45.100 0.128 0.000 0.703 40 G HN 2.506 nan 8.290 nan 0.000 0.479 41 G N 0.753 109.648 108.800 0.158 0.000 2.634 41 G HA2 -0.411 3.549 3.960 0.000 0.000 0.318 41 G HA3 -0.411 3.549 3.960 0.000 0.000 0.318 41 G C 0.977 176.030 174.900 0.256 0.000 1.207 41 G CA 1.446 46.657 45.100 0.185 0.000 0.987 41 G HN 1.095 nan 8.290 nan 0.000 0.547 42 R N 1.826 122.392 120.500 0.110 0.000 2.339 42 R HA 0.190 4.530 4.340 0.000 0.000 0.199 42 R C 1.136 177.320 176.300 -0.192 0.000 1.018 42 R CA 1.119 57.115 56.100 -0.173 0.000 1.036 42 R CB -0.285 29.889 30.300 -0.211 0.000 0.899 42 R HN 0.719 nan 8.270 nan 0.000 0.473 43 T N -2.552 112.050 114.554 0.079 0.000 2.859 43 T HA 0.367 4.717 4.350 0.000 0.000 0.281 43 T C -0.988 173.939 174.700 0.378 0.000 1.005 43 T CA -0.675 61.521 62.100 0.159 0.000 1.025 43 T CB 1.649 70.584 68.868 0.112 0.000 0.977 43 T HN 0.099 nan 8.240 nan 0.000 0.458 44 Y N 1.238 121.689 120.300 0.251 0.000 2.358 44 Y HA 0.457 5.007 4.550 0.000 0.000 0.324 44 Y C -1.171 174.843 175.900 0.190 0.000 1.123 44 Y CA -0.864 57.385 58.100 0.249 0.000 1.067 44 Y CB 1.701 40.375 38.460 0.356 0.000 1.230 44 Y HN 0.880 nan 8.280 nan 0.000 0.429 45 T N 7.837 122.254 114.554 -0.228 0.000 2.770 45 T HA 0.394 4.744 4.350 0.000 0.000 0.297 45 T C -0.839 173.523 174.700 -0.563 0.000 0.997 45 T CA -0.393 61.536 62.100 -0.285 0.000 0.949 45 T CB 0.577 69.391 68.868 -0.089 0.000 0.941 45 T HN 0.569 nan 8.240 nan 0.000 0.457 46 L N 4.552 125.435 121.223 -0.566 0.000 2.305 46 L HA 0.551 4.891 4.340 0.000 0.000 0.281 46 L C -0.088 176.702 176.870 -0.133 0.000 1.085 46 L CA -0.050 54.564 54.840 -0.377 0.000 0.813 46 L CB 0.434 42.341 42.059 -0.253 0.000 1.157 46 L HN 0.503 nan 8.230 nan 0.000 0.436 47 R N 3.699 124.149 120.500 -0.082 0.000 2.437 47 R HA 0.598 4.938 4.340 0.000 0.000 0.310 47 R C -1.063 175.210 176.300 -0.045 0.000 0.955 47 R CA -0.577 55.499 56.100 -0.040 0.000 0.851 47 R CB 1.256 31.548 30.300 -0.013 0.000 1.161 47 R HN 0.891 nan 8.270 nan 0.000 0.446 48 N N -0.916 117.738 118.700 -0.077 0.000 3.039 48 N HA 0.009 4.749 4.740 0.000 0.000 0.257 48 N C -0.230 175.211 175.510 -0.115 0.000 1.497 48 N CA -0.980 52.022 53.050 -0.079 0.000 0.861 48 N CB 0.738 39.180 38.487 -0.075 0.000 1.479 48 N HN 0.351 nan 8.380 nan 0.000 0.547 49 Q N -0.673 119.068 119.800 -0.099 0.000 2.311 49 Q HA 0.056 4.396 4.340 0.000 0.000 0.203 49 Q C 0.419 176.371 176.000 -0.079 0.000 0.954 49 Q CA 0.932 56.696 55.803 -0.067 0.000 0.885 49 Q CB 0.143 28.858 28.738 -0.039 0.000 0.963 49 Q HN 0.461 nan 8.270 nan 0.000 0.471 50 K N 0.021 120.277 120.400 -0.240 0.000 2.076 50 K HA -0.041 4.279 4.320 0.000 0.000 0.204 50 K C 2.020 178.399 176.600 -0.369 0.000 1.051 50 K CA 1.336 57.384 56.287 -0.398 0.000 0.949 50 K CB -0.005 31.909 32.500 -0.977 0.000 0.726 50 K HN 0.271 nan 8.250 nan 0.000 0.443 51 V N -1.654 117.954 119.914 -0.509 0.000 3.590 51 V HA 0.165 4.285 4.120 0.000 0.000 0.265 51 V C 1.552 177.217 176.094 -0.715 0.000 1.239 51 V CA 0.923 62.874 62.300 -0.581 0.000 1.117 51 V CB -0.001 31.537 31.823 -0.474 0.000 0.818 51 V HN 0.348 nan 8.190 nan 0.000 0.451 52 K N 0.516 120.569 120.400 -0.578 0.000 10.031 52 K HA -0.320 4.000 4.320 0.000 0.000 0.514 52 K C 0.176 176.647 176.600 -0.215 0.000 0.374 52 K CA 2.666 58.671 56.287 -0.471 0.000 1.951 52 K CB -1.414 30.628 32.500 -0.763 0.000 0.736 52 K HN 0.998 nan 8.250 nan 0.000 1.121 53 Y N -2.462 117.675 120.300 -0.271 0.000 2.558 53 Y HA 0.697 5.247 4.550 -0.000 0.000 0.333 53 Y C -1.346 174.499 175.900 -0.092 0.000 1.125 53 Y CA -0.686 57.321 58.100 -0.155 0.000 1.039 53 Y CB 1.787 40.178 38.460 -0.116 0.000 1.331 53 Y HN 0.054 nan 8.280 nan 0.000 0.456 54 V N 2.297 122.293 119.914 0.136 0.000 2.924 54 V HA 0.385 4.505 4.120 0.000 0.000 0.300 54 V C -1.693 174.462 176.094 0.102 0.000 1.227 54 V CA -0.634 61.742 62.300 0.126 0.000 0.954 54 V CB 2.076 33.970 31.823 0.119 0.000 1.055 54 V HN 0.919 nan 8.190 nan 0.000 0.429 55 D N 5.516 125.985 120.400 0.116 0.000 2.325 55 D HA 0.323 4.963 4.640 0.000 0.000 0.251 55 D C 0.789 177.167 176.300 0.130 0.000 1.196 55 D CA 0.188 54.242 54.000 0.089 0.000 0.866 55 D CB 1.854 42.679 40.800 0.041 0.000 1.101 55 D HN 0.520 nan 8.370 nan 0.000 0.476 56 L N 1.456 122.810 121.223 0.219 0.000 2.607 56 L HA 0.249 4.589 4.340 0.000 0.000 0.228 56 L C 1.396 178.642 176.870 0.627 0.000 1.123 56 L CA -0.044 55.023 54.840 0.378 0.000 0.890 56 L CB 0.377 42.674 42.059 0.397 0.000 1.103 56 L HN 0.336 nan 8.230 nan 0.000 0.468 57 G N -0.878 108.180 108.800 0.430 0.000 3.264 57 G HA2 0.443 4.403 3.960 0.000 0.000 0.168 57 G HA3 0.443 4.403 3.960 0.000 0.000 0.168 57 G C -0.242 174.644 174.900 -0.024 0.000 1.145 57 G CA -0.110 45.059 45.100 0.116 0.000 0.855 57 G HN 0.036 nan 8.290 nan 0.000 0.629 58 G N -0.676 108.048 108.800 -0.128 0.000 2.287 58 G HA2 0.364 4.324 3.960 0.000 0.000 0.235 58 G HA3 0.364 4.324 3.960 0.000 0.000 0.235 58 G C 0.536 175.395 174.900 -0.067 0.000 1.258 58 G CA 0.971 46.011 45.100 -0.100 0.000 0.884 58 G HN 0.867 nan 8.290 nan 0.000 0.518 59 S N 1.101 116.710 115.700 -0.151 0.000 3.113 59 S HA 0.193 4.663 4.470 0.000 0.000 0.265 59 S C 0.066 174.390 174.600 -0.461 0.000 1.079 59 S CA -0.320 57.684 58.200 -0.326 0.000 0.892 59 S CB 0.049 62.920 63.200 -0.548 0.000 0.880 59 S HN 0.501 nan 8.310 nan 0.000 0.444 60 Y N 2.599 122.837 120.300 -0.104 0.000 2.299 60 Y HA 0.546 5.096 4.550 0.000 0.000 0.326 60 Y C 0.175 175.928 175.900 -0.244 0.000 1.164 60 Y CA -0.436 57.562 58.100 -0.170 0.000 1.234 60 Y CB 1.304 39.721 38.460 -0.072 0.000 1.219 60 Y HN 0.102 nan 8.280 nan 0.000 0.497 61 V N -0.161 119.630 119.914 -0.205 0.000 3.007 61 V HA 1.094 5.214 4.120 0.000 0.000 0.311 61 V C -0.430 175.484 176.094 -0.300 0.000 1.120 61 V CA -0.484 61.615 62.300 -0.334 0.000 0.980 61 V CB 1.664 33.197 31.823 -0.482 0.000 1.033 61 V HN 0.938 nan 8.190 nan 0.000 0.429 62 G N 1.210 109.792 108.800 -0.363 0.000 2.606 62 G HA2 0.751 4.711 3.960 0.000 0.000 0.300 62 G HA3 0.751 4.711 3.960 0.000 0.000 0.300 62 G C -3.455 171.293 174.900 -0.254 0.000 1.360 62 G CA -1.155 43.788 45.100 -0.262 0.000 0.783 62 G HN 0.720 nan 8.290 nan 0.000 0.484 63 P HA 0.146 nan 4.420 nan 0.000 0.268 63 P C 0.823 178.106 177.300 -0.027 0.000 1.208 63 P CA 1.918 64.978 63.100 -0.066 0.000 0.777 63 P CB 0.881 32.569 31.700 -0.020 0.000 0.875 64 T N -2.103 112.471 114.554 0.033 0.000 7.776 64 T HA -0.262 4.088 4.350 0.000 0.000 0.302 64 T C 0.225 174.972 174.700 0.078 0.000 2.093 64 T CA 1.092 63.291 62.100 0.166 0.000 3.360 64 T CB -2.681 66.405 68.868 0.364 0.000 1.793 64 T HN 0.606 nan 8.240 nan 0.000 1.076 65 Q N 1.525 121.183 119.800 -0.238 0.000 3.006 65 Q HA 0.396 4.736 4.340 0.000 0.000 0.260 65 Q C 0.737 176.656 176.000 -0.135 0.000 1.356 65 Q CA -0.478 55.094 55.803 -0.385 0.000 1.070 65 Q CB 0.274 28.589 28.738 -0.704 0.000 1.507 65 Q HN 0.479 nan 8.270 nan 0.000 0.568 66 N N 0.995 119.689 118.700 -0.010 0.000 2.376 66 N HA -0.039 4.701 4.740 0.000 0.000 0.177 66 N C 1.254 176.781 175.510 0.029 0.000 1.024 66 N CA 0.640 53.702 53.050 0.019 0.000 0.893 66 N CB 0.290 38.806 38.487 0.049 0.000 0.980 66 N HN 0.389 nan 8.380 nan 0.000 0.439 67 R N 0.543 121.068 120.500 0.041 0.000 2.066 67 R HA -0.007 4.333 4.340 0.000 0.000 0.232 67 R C 1.936 178.257 176.300 0.036 0.000 1.131 67 R CA 0.803 56.931 56.100 0.047 0.000 0.955 67 R CB -0.422 29.922 30.300 0.072 0.000 0.851 67 R HN 0.088 nan 8.270 nan 0.000 0.432 68 I N 1.446 122.033 120.570 0.029 0.000 2.315 68 I HA -0.189 3.981 4.170 0.000 0.000 0.248 68 I C 1.954 178.140 176.117 0.115 0.000 1.117 68 I CA 1.254 62.594 61.300 0.067 0.000 1.404 68 I CB -0.197 37.850 38.000 0.077 0.000 1.071 68 I HN 0.102 nan 8.210 nan 0.000 0.419 69 L N 0.207 121.481 121.223 0.085 0.000 2.042 69 L HA -0.231 4.109 4.340 0.000 0.000 0.210 69 L C 2.765 179.677 176.870 0.069 0.000 1.076 69 L CA 1.654 56.557 54.840 0.105 0.000 0.749 69 L CB -0.841 41.242 42.059 0.040 0.000 0.893 69 L HN 0.287 nan 8.230 nan 0.000 0.432 70 R N 0.598 121.121 120.500 0.039 0.000 2.062 70 R HA -0.140 4.200 4.340 0.000 0.000 0.226 70 R C 2.292 178.593 176.300 0.002 0.000 1.125 70 R CA 1.392 57.505 56.100 0.021 0.000 0.966 70 R CB -0.628 29.685 30.300 0.022 0.000 0.861 70 R HN 0.249 nan 8.270 nan 0.000 0.433 71 L N 1.408 122.630 121.223 -0.002 0.000 2.012 71 L HA -0.067 4.273 4.340 0.000 0.000 0.210 71 L C 2.403 179.230 176.870 -0.071 0.000 1.073 71 L CA 2.352 57.175 54.840 -0.027 0.000 0.748 71 L CB -0.844 41.201 42.059 -0.022 0.000 0.891 71 L HN 0.251 nan 8.230 nan 0.000 0.431 72 A N -0.643 122.116 122.820 -0.102 0.000 1.902 72 A HA -0.254 4.066 4.320 0.000 0.000 0.217 72 A C 2.461 179.961 177.584 -0.140 0.000 1.181 72 A CA 1.901 53.800 52.037 -0.230 0.000 0.623 72 A CB -0.640 18.076 19.000 -0.472 0.000 0.818 72 A HN 0.531 nan 8.150 nan 0.000 0.443 73 K N -0.225 120.147 120.400 -0.047 0.000 2.057 73 K HA -0.204 4.116 4.320 0.000 0.000 0.207 73 K C 2.051 178.632 176.600 -0.033 0.000 1.049 73 K CA 1.674 57.949 56.287 -0.020 0.000 0.931 73 K CB -0.199 32.307 32.500 0.011 0.000 0.714 73 K HN 0.602 nan 8.250 nan 0.000 0.440 74 E N 0.535 120.715 120.200 -0.032 0.000 2.110 74 E HA -0.167 4.183 4.350 0.000 0.000 0.193 74 E C 1.643 178.216 176.600 -0.044 0.000 0.988 74 E CA 0.944 57.327 56.400 -0.029 0.000 0.804 74 E CB 0.004 29.691 29.700 -0.021 0.000 0.745 74 E HN 0.368 nan 8.360 nan 0.000 0.458 75 L N -0.460 120.721 121.223 -0.070 0.000 2.650 75 L HA 0.114 4.454 4.340 0.000 0.000 0.235 75 L C 1.345 178.164 176.870 -0.085 0.000 1.149 75 L CA 0.477 55.267 54.840 -0.083 0.000 0.887 75 L CB 0.039 42.029 42.059 -0.114 0.000 1.021 75 L HN 0.365 nan 8.230 nan 0.000 0.441 76 G N 0.095 108.853 108.800 -0.071 0.000 2.141 76 G HA2 -0.244 3.716 3.960 0.000 0.000 0.242 76 G HA3 -0.244 3.716 3.960 0.000 0.000 0.242 76 G C 0.153 175.014 174.900 -0.065 0.000 0.982 76 G CA -0.279 44.787 45.100 -0.057 0.000 0.662 76 G HN 0.230 nan 8.290 nan 0.000 0.527 77 L N -0.191 120.971 121.223 -0.101 0.000 2.399 77 L HA 0.718 5.058 4.340 0.000 0.000 0.266 77 L C 0.608 177.483 176.870 0.008 0.000 1.114 77 L CA -0.586 54.193 54.840 -0.103 0.000 0.804 77 L CB 1.009 42.890 42.059 -0.297 0.000 1.146 77 L HN 0.165 nan 8.230 nan 0.000 0.451 78 E N -0.016 120.233 120.200 0.082 0.000 2.244 78 E HA 0.414 4.764 4.350 0.000 0.000 0.266 78 E C -0.748 176.012 176.600 0.267 0.000 0.914 78 E CA -0.671 55.819 56.400 0.149 0.000 0.794 78 E CB 2.243 32.008 29.700 0.109 0.000 1.210 78 E HN 0.667 nan 8.360 nan 0.000 0.414 79 T N -0.978 113.703 114.554 0.212 0.000 2.943 79 T HA 0.557 4.907 4.350 0.000 0.000 0.284 79 T C -0.651 174.154 174.700 0.176 0.000 1.015 79 T CA -0.690 61.485 62.100 0.126 0.000 1.042 79 T CB 0.473 69.312 68.868 -0.048 0.000 1.055 79 T HN 0.482 nan 8.240 nan 0.000 0.500 80 Y N -0.916 119.402 120.300 0.030 0.000 2.598 80 Y HA 0.715 5.265 4.550 0.000 0.000 0.340 80 Y C -0.361 175.550 175.900 0.019 0.000 1.038 80 Y CA -1.586 56.534 58.100 0.034 0.000 1.100 80 Y CB 1.440 39.935 38.460 0.059 0.000 1.281 80 Y HN 0.550 nan 8.280 nan 0.000 0.488 81 K N 2.194 122.659 120.400 0.108 0.000 2.276 81 K HA 0.363 4.683 4.320 0.000 0.000 0.283 81 K C -0.803 175.842 176.600 0.075 0.000 1.044 81 K CA -0.666 55.635 56.287 0.023 0.000 0.944 81 K CB 1.609 34.149 32.500 0.066 0.000 1.012 81 K HN 0.579 nan 8.250 nan 0.000 0.472 82 V N 3.286 123.190 119.914 -0.017 0.000 2.655 82 V HA -0.099 4.021 4.120 0.000 0.000 0.300 82 V C 0.576 176.726 176.094 0.094 0.000 1.044 82 V CA -0.210 62.132 62.300 0.070 0.000 1.095 82 V CB 0.477 32.337 31.823 0.062 0.000 0.952 82 V HN 0.721 nan 8.190 nan 0.000 0.485 83 N N 3.830 122.610 118.700 0.133 0.000 2.438 83 N HA 0.020 4.760 4.740 0.000 0.000 0.267 83 N C 0.231 175.772 175.510 0.052 0.000 1.222 83 N CA 0.512 53.625 53.050 0.106 0.000 0.930 83 N CB 0.273 38.846 38.487 0.143 0.000 1.083 83 N HN 0.819 nan 8.380 nan 0.000 0.476 84 E N 2.901 123.119 120.200 0.030 0.000 3.191 84 E HA 0.115 4.465 4.350 0.000 0.000 0.192 84 E C 0.262 176.859 176.600 -0.005 0.000 0.972 84 E CA -0.053 56.344 56.400 -0.005 0.000 1.266 84 E CB 0.256 29.942 29.700 -0.023 0.000 1.076 84 E HN 0.447 nan 8.360 nan 0.000 0.462 85 V N 0.411 120.335 119.914 0.016 0.000 2.379 85 V HA -0.128 3.992 4.120 0.000 0.000 0.245 85 V C 0.929 177.025 176.094 0.003 0.000 1.044 85 V CA 1.497 63.802 62.300 0.009 0.000 1.036 85 V CB -0.149 31.683 31.823 0.015 0.000 0.664 85 V HN 0.236 nan 8.190 nan 0.000 0.453 86 E N -0.464 119.747 120.200 0.017 0.000 2.849 86 E HA 0.400 4.750 4.350 0.000 0.000 0.257 86 E C 0.171 176.774 176.600 0.003 0.000 1.306 86 E CA -0.614 55.799 56.400 0.021 0.000 1.058 86 E CB 0.236 29.967 29.700 0.051 0.000 1.249 86 E HN 0.334 nan 8.360 nan 0.000 0.638 87 R N 0.271 120.793 120.500 0.037 0.000 2.441 87 R HA 0.299 4.639 4.340 0.000 0.000 0.284 87 R C -0.411 175.820 176.300 -0.114 0.000 1.070 87 R CA -0.612 55.472 56.100 -0.027 0.000 1.047 87 R CB 0.103 30.448 30.300 0.076 0.000 1.016 87 R HN 0.175 nan 8.270 nan 0.000 0.477 88 L N 2.437 123.395 121.223 -0.441 0.000 2.476 88 L HA 0.313 4.653 4.340 0.000 0.000 0.255 88 L C 0.323 176.910 176.870 -0.470 0.000 1.218 88 L CA 0.395 54.868 54.840 -0.612 0.000 0.819 88 L CB 0.277 41.649 42.059 -1.145 0.000 1.119 88 L HN 0.484 nan 8.230 nan 0.000 0.485 89 I N -0.210 120.254 120.570 -0.178 0.000 2.499 89 I HA 0.226 4.396 4.170 0.000 0.000 0.288 89 I C -0.738 175.672 176.117 0.487 0.000 1.048 89 I CA -0.484 60.887 61.300 0.118 0.000 1.062 89 I CB 1.646 39.567 38.000 -0.131 0.000 1.238 89 I HN 0.549 nan 8.210 nan 0.000 0.426 90 H N 5.438 124.839 119.070 0.552 0.000 2.641 90 H HA 0.279 4.835 4.556 -0.000 0.000 0.295 90 H C -1.078 174.485 175.328 0.392 0.000 1.070 90 H CA -0.633 55.667 56.048 0.420 0.000 1.257 90 H CB 0.717 30.636 29.762 0.261 0.000 1.393 90 H HN 0.591 nan 8.280 nan 0.000 0.464 91 H N 4.347 123.566 119.070 0.250 0.000 2.594 91 H HA 0.391 4.947 4.556 0.000 0.000 0.304 91 H C -1.343 173.989 175.328 0.006 0.000 1.068 91 H CA -0.365 55.748 56.048 0.109 0.000 1.308 91 H CB 0.706 30.525 29.762 0.095 0.000 1.409 91 H HN 0.319 nan 8.280 nan 0.000 0.460 92 V N 6.195 125.983 119.914 -0.211 0.000 2.733 92 V HA 0.202 4.322 4.120 0.000 0.000 0.306 92 V C -0.938 175.105 176.094 -0.085 0.000 1.084 92 V CA -1.017 61.191 62.300 -0.154 0.000 0.905 92 V CB 1.587 33.188 31.823 -0.369 0.000 1.010 92 V HN 1.005 nan 8.190 nan 0.000 0.424 93 K N 4.526 124.906 120.400 -0.034 0.000 3.451 93 K HA -0.218 4.102 4.320 0.000 0.000 0.273 93 K C 0.900 177.462 176.600 -0.063 0.000 0.944 93 K CA 0.939 57.220 56.287 -0.010 0.000 0.734 93 K CB -1.771 30.739 32.500 0.018 0.000 1.437 93 K HN 1.909 nan 8.250 nan 0.000 0.454 94 G N -0.020 108.716 108.800 -0.106 0.000 2.179 94 G HA2 -0.369 3.591 3.960 0.000 0.000 0.257 94 G HA3 -0.369 3.591 3.960 0.000 0.000 0.257 94 G C -0.063 174.670 174.900 -0.277 0.000 1.010 94 G CA 1.142 46.209 45.100 -0.054 0.000 0.736 94 G HN 0.563 nan 8.290 nan 0.000 0.513 95 K N -0.450 119.550 120.400 -0.667 0.000 2.502 95 K HA 0.602 4.922 4.320 0.000 0.000 0.257 95 K C -0.812 175.386 176.600 -0.670 0.000 0.938 95 K CA -0.584 55.394 56.287 -0.515 0.000 0.819 95 K CB 1.424 33.704 32.500 -0.366 0.000 1.333 95 K HN 0.040 nan 8.250 nan 0.000 0.434 96 S N 2.352 117.815 115.700 -0.394 0.000 2.429 96 S HA 0.402 4.872 4.470 0.000 0.000 0.302 96 S C -1.491 172.955 174.600 -0.257 0.000 1.115 96 S CA -0.407 57.710 58.200 -0.137 0.000 1.095 96 S CB 0.256 63.503 63.200 0.077 0.000 0.987 96 S HN 0.401 nan 8.310 nan 0.000 0.474 97 Y N 4.041 124.423 120.300 0.136 0.000 2.712 97 Y HA 0.323 4.873 4.550 0.000 0.000 0.328 97 Y C -2.175 173.929 175.900 0.339 0.000 0.995 97 Y CA -2.477 55.747 58.100 0.207 0.000 1.283 97 Y CB 0.700 39.272 38.460 0.186 0.000 1.092 97 Y HN 0.445 nan 8.280 nan 0.000 0.519 98 P HA 0.188 nan 4.420 nan 0.000 0.271 98 P C -0.804 176.781 177.300 0.476 0.000 1.218 98 P CA 0.131 63.456 63.100 0.375 0.000 0.780 98 P CB 0.873 32.787 31.700 0.357 0.000 0.901 99 F N -0.309 119.755 119.950 0.191 0.000 2.693 99 F HA 0.687 5.214 4.527 0.000 0.000 0.309 99 F C -0.736 175.128 175.800 0.106 0.000 1.129 99 F CA -1.352 56.741 58.000 0.155 0.000 0.948 99 F CB 1.356 40.446 39.000 0.151 0.000 1.315 99 F HN 0.169 nan 8.300 nan 0.000 0.447 100 R N 1.088 121.683 120.500 0.158 0.000 2.923 100 R HA 0.902 5.242 4.340 0.000 0.000 0.252 100 R C -0.194 176.185 176.300 0.132 0.000 1.130 100 R CA -0.974 55.135 56.100 0.016 0.000 1.043 100 R CB 1.221 31.535 30.300 0.024 0.000 1.205 100 R HN 1.545 nan 8.270 nan 0.000 0.495 101 G N 0.495 109.307 108.800 0.019 0.000 2.758 101 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 101 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 101 G C -1.929 172.954 174.900 -0.028 0.000 1.389 101 G CA -0.598 44.481 45.100 -0.034 0.000 0.845 101 G HN 0.477 nan 8.290 nan 0.000 0.572 102 P HA 0.058 nan 4.420 nan 0.000 0.221 102 P C 0.467 177.790 177.300 0.038 0.000 1.150 102 P CA 1.202 64.135 63.100 -0.278 0.000 0.800 102 P CB 0.060 31.302 31.700 -0.764 0.000 0.787 103 F N 1.214 121.210 119.950 0.076 0.000 2.507 103 F HA 0.425 4.952 4.527 0.000 0.000 0.325 103 F C -2.105 173.466 175.800 -0.381 0.000 1.116 103 F CA -3.439 54.471 58.000 -0.149 0.000 0.930 103 F CB 1.693 40.525 39.000 -0.280 0.000 1.146 103 F HN -0.330 nan 8.300 nan 0.000 0.447 104 P HA 0.095 nan 4.420 nan 0.000 0.266 104 P C -2.473 174.508 177.300 -0.533 0.000 1.215 104 P CA -0.955 61.383 63.100 -1.270 0.000 0.763 104 P CB 0.007 31.075 31.700 -1.054 0.000 0.806 105 P HA 0.161 nan 4.420 nan 0.000 0.274 105 P C -0.791 176.290 177.300 -0.366 0.000 1.246 105 P CA -0.139 62.762 63.100 -0.331 0.000 0.795 105 P CB 0.762 32.266 31.700 -0.327 0.000 1.006 106 V N 1.309 120.969 119.914 -0.423 0.000 2.577 106 V HA 0.205 4.325 4.120 0.000 0.000 0.303 106 V C 0.210 176.116 176.094 -0.314 0.000 1.042 106 V CA -0.213 61.889 62.300 -0.331 0.000 0.872 106 V CB 1.705 33.304 31.823 -0.374 0.000 0.998 106 V HN 0.711 nan 8.190 nan 0.000 0.423 107 W N 1.189 122.471 121.300 -0.031 0.000 2.678 107 W HA 0.167 4.827 4.660 -0.000 0.000 0.282 107 W C 1.449 177.966 176.519 -0.002 0.000 1.137 107 W CA 0.095 57.433 57.345 -0.012 0.000 1.515 107 W CB 0.209 29.648 29.460 -0.034 0.000 1.101 107 W HN 0.569 nan 8.180 nan 0.000 0.564 108 N N 2.090 120.925 118.700 0.225 0.000 2.359 108 N HA -0.060 4.680 4.740 0.000 0.000 0.261 108 N C -1.895 173.691 175.510 0.128 0.000 1.267 108 N CA -0.298 52.836 53.050 0.139 0.000 0.864 108 N CB 1.264 39.805 38.487 0.090 0.000 1.063 108 N HN -0.104 nan 8.380 nan 0.000 0.474 109 P HA -0.034 nan 4.420 nan 0.000 0.219 109 P C 1.557 178.932 177.300 0.126 0.000 1.150 109 P CA 0.479 63.640 63.100 0.103 0.000 0.814 109 P CB 0.387 32.120 31.700 0.054 0.000 0.787 110 I N -0.414 120.214 120.570 0.095 0.000 2.202 110 I HA -0.173 3.997 4.170 0.000 0.000 0.242 110 I C 1.966 178.148 176.117 0.109 0.000 1.091 110 I CA 1.850 63.202 61.300 0.086 0.000 1.368 110 I CB -1.921 36.122 38.000 0.070 0.000 1.058 110 I HN 0.021 nan 8.210 nan 0.000 0.410 111 T N 0.543 115.160 114.554 0.106 0.000 2.665 111 T HA -0.281 4.069 4.350 0.000 0.000 0.268 111 T C 1.879 176.628 174.700 0.081 0.000 1.035 111 T CA 1.792 63.952 62.100 0.099 0.000 1.151 111 T CB -0.735 68.143 68.868 0.017 0.000 0.862 111 T HN 0.305 nan 8.240 nan 0.000 0.438 112 Y N 1.745 122.021 120.300 -0.041 0.000 2.114 112 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 112 Y C 2.063 177.982 175.900 0.032 0.000 1.165 112 Y CA 1.316 59.390 58.100 -0.045 0.000 1.148 112 Y CB -0.500 37.922 38.460 -0.064 0.000 0.972 112 Y HN 0.151 nan 8.280 nan 0.000 0.504 113 L N -0.561 120.783 121.223 0.201 0.000 2.056 113 L HA -0.187 4.153 4.340 0.000 0.000 0.207 113 L C 2.191 179.082 176.870 0.035 0.000 1.078 113 L CA 1.613 56.524 54.840 0.119 0.000 0.749 113 L CB -0.649 41.472 42.059 0.104 0.000 0.901 113 L HN 0.180 nan 8.230 nan 0.000 0.433 114 D N -0.660 119.785 120.400 0.075 0.000 2.097 114 D HA -0.200 4.440 4.640 0.000 0.000 0.195 114 D C 2.171 178.514 176.300 0.072 0.000 0.989 114 D CA 1.325 55.378 54.000 0.089 0.000 0.827 114 D CB 0.033 40.921 40.800 0.146 0.000 0.966 114 D HN 0.319 nan 8.370 nan 0.000 0.456 115 H N -0.356 118.670 119.070 -0.073 0.000 2.293 115 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 115 H C 2.149 177.462 175.328 -0.024 0.000 1.082 115 H CA 1.135 57.151 56.048 -0.054 0.000 1.308 115 H CB -0.172 29.560 29.762 -0.050 0.000 1.375 115 H HN 0.265 nan 8.280 nan 0.000 0.495 116 N N 1.182 119.837 118.700 -0.074 0.000 2.149 116 N HA -0.180 4.560 4.740 0.000 0.000 0.188 116 N C 1.753 177.238 175.510 -0.042 0.000 1.019 116 N CA 0.904 53.881 53.050 -0.121 0.000 0.857 116 N CB -0.207 38.109 38.487 -0.284 0.000 0.997 116 N HN 0.417 nan 8.380 nan 0.000 0.426 117 N N -0.281 118.395 118.700 -0.040 0.000 2.270 117 N HA -0.156 4.584 4.740 0.000 0.000 0.181 117 N C 1.814 177.277 175.510 -0.079 0.000 1.016 117 N CA 0.535 53.556 53.050 -0.049 0.000 0.870 117 N CB -0.204 38.267 38.487 -0.027 0.000 0.979 117 N HN 0.243 nan 8.380 nan 0.000 0.431 118 F N 0.681 120.484 119.950 -0.245 0.000 2.098 118 F HA -0.032 4.495 4.527 -0.000 0.000 0.294 118 F C 1.700 177.252 175.800 -0.413 0.000 1.107 118 F CA 1.331 59.099 58.000 -0.387 0.000 1.234 118 F CB -0.891 37.750 39.000 -0.599 0.000 1.002 118 F HN 0.015 nan 8.300 nan 0.000 0.472 119 W N 0.878 121.878 121.300 -0.500 0.000 2.321 119 W HA -0.185 4.475 4.660 0.000 0.000 0.306 119 W C 2.825 179.066 176.519 -0.464 0.000 1.217 119 W CA 1.710 58.704 57.345 -0.585 0.000 1.257 119 W CB -0.678 28.511 29.460 -0.451 0.000 1.145 119 W HN -0.026 nan 8.180 nan 0.000 0.509 120 R N 0.047 120.465 120.500 -0.137 0.000 2.092 120 R HA -0.128 4.212 4.340 0.000 0.000 0.231 120 R C 1.930 178.119 176.300 -0.185 0.000 1.119 120 R CA 2.009 58.023 56.100 -0.143 0.000 0.970 120 R CB -0.587 29.643 30.300 -0.115 0.000 0.864 120 R HN 0.052 nan 8.270 nan 0.000 0.440 121 T N 1.478 115.891 114.554 -0.236 0.000 2.777 121 T HA -0.122 4.228 4.350 0.000 0.000 0.266 121 T C 1.867 176.397 174.700 -0.284 0.000 1.040 121 T CA 1.378 63.341 62.100 -0.228 0.000 1.141 121 T CB -0.067 68.686 68.868 -0.191 0.000 0.868 121 T HN 0.157 nan 8.240 nan 0.000 0.444 122 M N 1.801 121.148 119.600 -0.423 0.000 2.113 122 M HA -0.163 4.317 4.480 0.000 0.000 0.255 122 M C 1.845 178.009 176.300 -0.227 0.000 1.073 122 M CA 1.697 56.783 55.300 -0.357 0.000 1.091 122 M CB -1.218 31.132 32.600 -0.417 0.000 1.309 122 M HN 0.207 nan 8.290 nan 0.000 0.407 123 D N 0.293 120.577 120.400 -0.195 0.000 2.149 123 D HA -0.108 4.532 4.640 0.000 0.000 0.201 123 D C 1.643 177.875 176.300 -0.113 0.000 0.972 123 D CA 1.004 54.917 54.000 -0.144 0.000 0.835 123 D CB -0.334 40.388 40.800 -0.129 0.000 0.966 123 D HN 0.316 nan 8.370 nan 0.000 0.476 124 D N 0.407 120.741 120.400 -0.111 0.000 2.104 124 D HA -0.114 4.526 4.640 0.000 0.000 0.194 124 D C 2.192 178.481 176.300 -0.017 0.000 0.994 124 D CA 0.754 54.716 54.000 -0.064 0.000 0.830 124 D CB -0.267 40.495 40.800 -0.063 0.000 0.959 124 D HN 0.232 nan 8.370 nan 0.000 0.452 125 M N 0.236 119.795 119.600 -0.068 0.000 2.159 125 M HA -0.060 4.420 4.480 0.000 0.000 0.263 125 M C 2.290 178.638 176.300 0.080 0.000 1.063 125 M CA 1.648 56.928 55.300 -0.034 0.000 1.110 125 M CB -0.397 31.929 32.600 -0.458 0.000 1.374 125 M HN 0.038 nan 8.290 nan 0.000 0.411 126 G N -0.197 108.585 108.800 -0.031 0.000 2.448 126 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 126 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 126 G C 1.585 176.484 174.900 -0.001 0.000 1.127 126 G CA 0.430 45.517 45.100 -0.023 0.000 0.766 126 G HN 0.393 nan 8.290 nan 0.000 0.552 127 R N 0.017 120.514 120.500 -0.005 0.000 2.339 127 R HA 0.035 4.375 4.340 0.000 0.000 0.199 127 R C 1.211 177.514 176.300 0.005 0.000 1.018 127 R CA 0.550 56.640 56.100 -0.018 0.000 1.036 127 R CB 0.184 30.468 30.300 -0.028 0.000 0.899 127 R HN 0.237 nan 8.270 nan 0.000 0.473 128 E N -0.158 120.078 120.200 0.059 0.000 2.526 128 E HA 0.154 4.504 4.350 0.000 0.000 0.208 128 E C -0.138 176.474 176.600 0.021 0.000 0.997 128 E CA 0.138 56.561 56.400 0.037 0.000 0.961 128 E CB 0.795 30.536 29.700 0.069 0.000 1.030 128 E HN 0.247 nan 8.360 nan 0.000 0.483 129 I N 3.208 123.813 120.570 0.058 0.000 2.330 129 I HA 0.209 4.379 4.170 0.000 0.000 0.286 129 I C -2.408 173.700 176.117 -0.015 0.000 1.025 129 I CA -2.225 59.101 61.300 0.044 0.000 1.197 129 I CB 1.381 39.472 38.000 0.151 0.000 1.358 129 I HN -0.343 nan 8.210 nan 0.000 0.467 130 P HA 0.125 nan 4.420 nan 0.000 0.271 130 P C 0.623 177.869 177.300 -0.089 0.000 1.233 130 P CA 0.162 63.186 63.100 -0.128 0.000 0.764 130 P CB 0.955 32.534 31.700 -0.202 0.000 0.825 131 S N 2.610 118.288 115.700 -0.038 0.000 2.380 131 S HA -0.213 4.257 4.470 0.000 0.000 0.229 131 S C 1.325 175.971 174.600 0.076 0.000 1.043 131 S CA 2.091 60.330 58.200 0.065 0.000 1.038 131 S CB -0.643 62.529 63.200 -0.047 0.000 0.872 131 S HN 0.692 nan 8.310 nan 0.000 0.456 132 D N 0.189 120.514 120.400 -0.125 0.000 2.339 132 D HA 0.288 4.928 4.640 0.000 0.000 0.217 132 D C 0.209 176.292 176.300 -0.361 0.000 1.050 132 D CA 0.449 54.334 54.000 -0.192 0.000 0.856 132 D CB 0.061 40.675 40.800 -0.309 0.000 0.922 132 D HN 0.287 nan 8.370 nan 0.000 0.518 133 A N 1.025 123.488 122.820 -0.594 0.000 3.200 133 A HA 0.380 4.700 4.320 0.000 0.000 0.274 133 A C -2.218 174.585 177.584 -1.302 0.000 1.220 133 A CA -0.808 50.450 52.037 -1.299 0.000 0.904 133 A CB 0.987 19.510 19.000 -0.795 0.000 1.415 133 A HN -0.110 nan 8.150 nan 0.000 0.630 134 P HA -0.159 nan 4.420 nan 0.000 0.218 134 P C 1.200 178.230 177.300 -0.450 0.000 1.149 134 P CA 1.450 64.169 63.100 -0.635 0.000 0.817 134 P CB -0.322 30.985 31.700 -0.655 0.000 0.785 135 W N 0.519 121.738 121.300 -0.135 0.000 2.848 135 W HA 0.145 4.805 4.660 -0.000 0.000 0.241 135 W C 1.251 177.720 176.519 -0.084 0.000 1.289 135 W CA 0.281 57.570 57.345 -0.093 0.000 1.396 135 W CB -1.415 27.989 29.460 -0.093 0.000 1.138 135 W HN -0.077 nan 8.180 nan 0.000 0.677 136 K N 0.704 120.898 120.400 -0.343 0.000 2.358 136 K HA 0.341 4.661 4.320 0.000 0.000 0.197 136 K C 1.071 177.570 176.600 -0.167 0.000 1.025 136 K CA 0.053 56.229 56.287 -0.185 0.000 1.104 136 K CB 0.095 32.465 32.500 -0.218 0.000 0.855 136 K HN 0.083 nan 8.250 nan 0.000 0.531 137 A N 2.163 124.877 122.820 -0.177 0.000 2.565 137 A HA 0.040 4.360 4.320 0.000 0.000 0.237 137 A C -1.631 175.815 177.584 -0.229 0.000 1.053 137 A CA -0.895 51.033 52.037 -0.181 0.000 0.755 137 A CB -0.001 18.907 19.000 -0.152 0.000 0.980 137 A HN 0.030 nan 8.150 nan 0.000 0.506 138 P HA -0.158 nan 4.420 nan 0.000 0.216 138 P C 0.550 177.659 177.300 -0.319 0.000 1.154 138 P CA 1.308 64.263 63.100 -0.241 0.000 0.865 138 P CB 0.014 31.583 31.700 -0.218 0.000 0.789 139 L N -2.058 118.823 121.223 -0.570 0.000 2.912 139 L HA 0.341 4.681 4.340 0.000 0.000 0.240 139 L C 1.841 178.329 176.870 -0.637 0.000 1.262 139 L CA -0.315 54.102 54.840 -0.705 0.000 1.058 139 L CB -0.550 40.869 42.059 -1.067 0.000 1.383 139 L HN -0.090 nan 8.230 nan 0.000 0.512 140 A N 0.440 123.059 122.820 -0.335 0.000 1.883 140 A HA -0.201 4.119 4.320 0.000 0.000 0.217 140 A C 2.205 179.782 177.584 -0.011 0.000 1.186 140 A CA 1.611 53.574 52.037 -0.123 0.000 0.624 140 A CB -0.122 18.854 19.000 -0.040 0.000 0.822 140 A HN 0.506 nan 8.150 nan 0.000 0.444 141 E N -0.722 119.461 120.200 -0.029 0.000 2.031 141 E HA -0.219 4.131 4.350 0.000 0.000 0.193 141 E C 2.091 178.730 176.600 0.065 0.000 0.994 141 E CA 1.169 57.587 56.400 0.029 0.000 0.800 141 E CB -0.330 29.373 29.700 0.005 0.000 0.752 141 E HN 0.791 nan 8.360 nan 0.000 0.447 142 E N 0.103 120.315 120.200 0.019 0.000 2.065 142 E HA -0.215 4.135 4.350 0.000 0.000 0.201 142 E C 1.855 178.628 176.600 0.288 0.000 1.016 142 E CA 1.414 57.874 56.400 0.101 0.000 0.818 142 E CB -0.039 29.684 29.700 0.038 0.000 0.749 142 E HN 0.292 nan 8.360 nan 0.000 0.453 143 W N 0.792 122.129 121.300 0.061 0.000 2.402 143 W HA -0.074 4.586 4.660 0.000 0.000 0.286 143 W C 2.002 178.585 176.519 0.106 0.000 1.221 143 W CA 0.782 58.174 57.345 0.079 0.000 1.257 143 W CB -1.045 28.461 29.460 0.077 0.000 1.120 143 W HN 0.216 nan 8.180 nan 0.000 0.551 144 D N -0.346 120.252 120.400 0.330 0.000 2.269 144 D HA -0.124 4.516 4.640 0.000 0.000 0.208 144 D C 1.258 177.679 176.300 0.201 0.000 0.963 144 D CA 0.906 55.060 54.000 0.258 0.000 0.864 144 D CB -0.251 40.680 40.800 0.217 0.000 0.936 144 D HN -0.108 nan 8.370 nan 0.000 0.505 145 N N -0.246 118.558 118.700 0.173 0.000 2.434 145 N HA 0.078 4.818 4.740 0.000 0.000 0.196 145 N C -0.270 175.312 175.510 0.120 0.000 1.183 145 N CA 0.166 53.294 53.050 0.130 0.000 0.849 145 N CB 0.224 38.772 38.487 0.101 0.000 0.992 145 N HN 0.322 nan 8.380 nan 0.000 0.460 146 M N 0.253 119.937 119.600 0.141 0.000 2.393 146 M HA 0.175 4.655 4.480 0.000 0.000 0.299 146 M C -0.236 176.128 176.300 0.107 0.000 1.103 146 M CA -0.559 54.808 55.300 0.111 0.000 0.910 146 M CB 1.902 34.576 32.600 0.124 0.000 1.659 146 M HN 0.013 nan 8.290 nan 0.000 0.445 147 T N 0.833 115.432 114.554 0.075 0.000 2.788 147 T HA 0.188 4.538 4.350 0.000 0.000 0.287 147 T C 1.096 175.809 174.700 0.022 0.000 1.007 147 T CA -0.714 61.424 62.100 0.064 0.000 1.005 147 T CB 0.723 69.621 68.868 0.050 0.000 1.012 147 T HN 0.708 nan 8.240 nan 0.000 0.530 148 M N 0.145 119.733 119.600 -0.020 0.000 2.279 148 M HA 0.035 4.515 4.480 0.000 0.000 0.264 148 M C 2.128 178.361 176.300 -0.112 0.000 1.062 148 M CA 1.454 56.694 55.300 -0.100 0.000 1.099 148 M CB -1.453 30.991 32.600 -0.260 0.000 1.394 148 M HN 0.907 nan 8.290 nan 0.000 0.426 149 K N 0.749 121.098 120.400 -0.085 0.000 2.002 149 K HA -0.170 4.150 4.320 0.000 0.000 0.209 149 K C 1.663 178.224 176.600 -0.064 0.000 1.048 149 K CA 1.875 58.118 56.287 -0.073 0.000 0.930 149 K CB -0.137 32.355 32.500 -0.014 0.000 0.714 149 K HN 0.371 nan 8.250 nan 0.000 0.438 150 E N 0.327 120.506 120.200 -0.035 0.000 2.070 150 E HA -0.234 4.116 4.350 0.000 0.000 0.197 150 E C 2.042 178.616 176.600 -0.043 0.000 1.004 150 E CA 1.398 57.779 56.400 -0.032 0.000 0.805 150 E CB -0.261 29.438 29.700 -0.002 0.000 0.744 150 E HN 0.222 nan 8.360 nan 0.000 0.451 151 L N 1.111 122.308 121.223 -0.044 0.000 1.970 151 L HA -0.208 4.132 4.340 0.000 0.000 0.212 151 L C 2.181 179.016 176.870 -0.058 0.000 1.071 151 L CA 1.641 56.449 54.840 -0.053 0.000 0.751 151 L CB -0.444 41.574 42.059 -0.068 0.000 0.889 151 L HN 0.149 nan 8.230 nan 0.000 0.432 152 L N -0.769 120.401 121.223 -0.088 0.000 2.081 152 L HA -0.266 4.074 4.340 0.000 0.000 0.212 152 L C 2.264 179.038 176.870 -0.160 0.000 1.080 152 L CA 1.471 56.218 54.840 -0.155 0.000 0.754 152 L CB -1.028 40.893 42.059 -0.230 0.000 0.893 152 L HN 0.349 nan 8.230 nan 0.000 0.433 153 D N 0.144 120.463 120.400 -0.135 0.000 2.117 153 D HA -0.171 4.469 4.640 0.000 0.000 0.197 153 D C 2.193 178.393 176.300 -0.167 0.000 0.987 153 D CA 1.191 55.101 54.000 -0.150 0.000 0.829 153 D CB 0.011 40.737 40.800 -0.122 0.000 0.961 153 D HN 0.157 nan 8.370 nan 0.000 0.460 154 K N 0.078 120.412 120.400 -0.111 0.000 2.002 154 K HA -0.027 4.293 4.320 0.000 0.000 0.209 154 K C 2.215 178.796 176.600 -0.032 0.000 1.048 154 K CA 0.765 57.005 56.287 -0.078 0.000 0.930 154 K CB -0.110 32.378 32.500 -0.019 0.000 0.714 154 K HN 0.077 nan 8.250 nan 0.000 0.438 155 L N -0.205 121.019 121.223 0.001 0.000 2.131 155 L HA -0.040 4.300 4.340 0.000 0.000 0.206 155 L C 0.539 177.499 176.870 0.150 0.000 1.087 155 L CA 0.079 54.979 54.840 0.100 0.000 0.767 155 L CB 0.072 42.201 42.059 0.116 0.000 0.917 155 L HN 0.143 nan 8.230 nan 0.000 0.441 156 C N -0.139 119.149 119.300 -0.021 0.000 2.256 156 C HA 0.095 4.555 4.460 0.000 0.000 0.333 156 C C 0.858 175.838 174.990 -0.016 0.000 1.183 156 C CA -0.922 58.064 59.018 -0.053 0.000 1.692 156 C CB -0.966 26.626 27.740 -0.247 0.000 2.274 156 C HN 0.472 nan 8.230 nan 0.000 0.509 157 W N 1.942 123.199 121.300 -0.071 0.000 3.139 157 W HA 0.123 4.783 4.660 -0.000 0.000 0.260 157 W C 1.375 177.877 176.519 -0.029 0.000 1.312 157 W CA 0.102 57.423 57.345 -0.039 0.000 1.606 157 W CB -0.095 29.355 29.460 -0.017 0.000 1.118 157 W HN 0.645 nan 8.180 nan 0.000 0.675 158 T N -3.602 111.030 114.554 0.131 0.000 2.863 158 T HA 0.293 4.643 4.350 0.000 0.000 0.285 158 T C 0.796 175.499 174.700 0.004 0.000 1.009 158 T CA -0.652 61.497 62.100 0.081 0.000 0.989 158 T CB 2.627 71.569 68.868 0.125 0.000 1.004 158 T HN -0.230 nan 8.240 nan 0.000 0.455 159 E N 1.198 121.399 120.200 0.002 0.000 2.153 159 E HA -0.124 4.226 4.350 0.000 0.000 0.194 159 E C 2.207 178.801 176.600 -0.010 0.000 0.988 159 E CA 1.437 57.822 56.400 -0.025 0.000 0.811 159 E CB -0.312 29.382 29.700 -0.011 0.000 0.746 159 E HN 0.787 nan 8.360 nan 0.000 0.466 160 S N 0.623 116.357 115.700 0.057 0.000 2.368 160 S HA -0.147 4.323 4.470 0.000 0.000 0.225 160 S C 2.146 176.813 174.600 0.111 0.000 1.030 160 S CA 1.532 59.815 58.200 0.137 0.000 0.999 160 S CB -0.080 63.234 63.200 0.190 0.000 0.844 160 S HN 0.244 nan 8.310 nan 0.000 0.459 161 A N 1.533 124.335 122.820 -0.030 0.000 1.930 161 A HA -0.026 4.294 4.320 0.000 0.000 0.217 161 A C 2.219 179.468 177.584 -0.560 0.000 1.175 161 A CA 1.714 53.368 52.037 -0.638 0.000 0.627 161 A CB -0.716 17.904 19.000 -0.634 0.000 0.815 161 A HN 0.696 nan 8.150 nan 0.000 0.443 162 K N -0.473 119.713 120.400 -0.356 0.000 2.097 162 K HA -0.169 4.151 4.320 0.000 0.000 0.205 162 K C 2.161 178.601 176.600 -0.267 0.000 1.050 162 K CA 1.475 57.546 56.287 -0.361 0.000 0.938 162 K CB -0.190 32.165 32.500 -0.243 0.000 0.718 162 K HN 0.616 nan 8.250 nan 0.000 0.442 163 Q N 0.434 120.145 119.800 -0.147 0.000 2.020 163 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 163 Q C 2.128 178.111 176.000 -0.029 0.000 0.982 163 Q CA 1.490 57.261 55.803 -0.052 0.000 0.838 163 Q CB -0.174 28.577 28.738 0.021 0.000 0.899 163 Q HN 0.217 nan 8.270 nan 0.000 0.423 164 L N 0.714 121.921 121.223 -0.027 0.000 2.042 164 L HA -0.153 4.187 4.340 0.000 0.000 0.210 164 L C 2.127 178.994 176.870 -0.006 0.000 1.076 164 L CA 2.227 57.097 54.840 0.051 0.000 0.749 164 L CB -1.043 41.076 42.059 0.101 0.000 0.893 164 L HN 0.177 nan 8.230 nan 0.000 0.432 165 A N -2.035 120.582 122.820 -0.338 0.000 1.933 165 A HA -0.193 4.127 4.320 0.000 0.000 0.218 165 A C 2.262 179.773 177.584 -0.123 0.000 1.175 165 A CA 2.210 53.992 52.037 -0.424 0.000 0.628 165 A CB -1.049 17.178 19.000 -1.287 0.000 0.814 165 A HN 0.507 nan 8.150 nan 0.000 0.444 166 T N -0.107 114.354 114.554 -0.155 0.000 2.812 166 T HA -0.060 4.290 4.350 0.000 0.000 0.264 166 T C 1.864 176.540 174.700 -0.040 0.000 1.042 166 T CA 1.238 63.263 62.100 -0.126 0.000 1.140 166 T CB -0.338 68.465 68.868 -0.109 0.000 0.870 166 T HN 0.408 nan 8.240 nan 0.000 0.445 167 L N 0.364 121.617 121.223 0.050 0.000 2.012 167 L HA -0.077 4.263 4.340 0.000 0.000 0.210 167 L C 2.229 179.202 176.870 0.172 0.000 1.073 167 L CA 1.592 56.506 54.840 0.123 0.000 0.748 167 L CB -0.428 41.744 42.059 0.188 0.000 0.891 167 L HN 0.203 nan 8.230 nan 0.000 0.431 168 F N -0.051 119.958 119.950 0.097 0.000 2.091 168 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 168 F C 2.122 178.007 175.800 0.141 0.000 1.103 168 F CA 2.152 60.264 58.000 0.186 0.000 1.228 168 F CB -0.819 38.415 39.000 0.389 0.000 0.984 168 F HN -0.090 nan 8.300 nan 0.000 0.477 169 V N 1.027 120.797 119.914 -0.241 0.000 2.295 169 V HA -0.359 3.761 4.120 0.000 0.000 0.246 169 V C 2.059 177.981 176.094 -0.288 0.000 1.049 169 V CA 2.426 64.421 62.300 -0.510 0.000 1.024 169 V CB -1.111 30.315 31.823 -0.661 0.000 0.648 169 V HN 0.422 nan 8.190 nan 0.000 0.447 170 N N 0.157 118.749 118.700 -0.179 0.000 2.084 170 N HA -0.196 4.544 4.740 0.000 0.000 0.190 170 N C 1.800 177.238 175.510 -0.120 0.000 1.030 170 N CA 1.225 54.192 53.050 -0.138 0.000 0.849 170 N CB -0.264 38.187 38.487 -0.060 0.000 1.012 170 N HN 0.307 nan 8.380 nan 0.000 0.423 171 L N 1.219 122.414 121.223 -0.047 0.000 2.012 171 L HA -0.141 4.199 4.340 0.000 0.000 0.210 171 L C 2.437 179.290 176.870 -0.029 0.000 1.073 171 L CA 1.525 56.356 54.840 -0.015 0.000 0.748 171 L CB -0.921 41.152 42.059 0.022 0.000 0.891 171 L HN 0.320 nan 8.230 nan 0.000 0.431 172 C N -1.385 117.873 119.300 -0.069 0.000 2.457 172 C HA 0.019 4.479 4.460 0.000 0.000 0.278 172 C C 2.222 177.205 174.990 -0.013 0.000 1.309 172 C CA 0.945 59.965 59.018 0.004 0.000 1.735 172 C CB -0.672 26.936 27.740 -0.220 0.000 1.992 172 C HN 0.528 nan 8.230 nan 0.000 0.493 173 V N -1.098 118.727 119.914 -0.148 0.000 3.252 173 V HA 0.329 4.449 4.120 0.000 0.000 0.320 173 V C 0.773 176.661 176.094 -0.344 0.000 1.459 173 V CA 0.979 63.154 62.300 -0.208 0.000 1.095 173 V CB -1.308 30.546 31.823 0.052 0.000 0.997 173 V HN 0.642 nan 8.190 nan 0.000 0.469 174 T N -1.358 112.921 114.554 -0.458 0.000 3.708 174 T HA -0.040 4.310 4.350 0.000 0.000 0.375 174 T C 0.075 174.594 174.700 -0.301 0.000 0.763 174 T CA 1.378 63.234 62.100 -0.406 0.000 1.915 174 T CB -2.507 66.028 68.868 -0.556 0.000 1.783 174 T HN 2.526 nan 8.240 nan 0.000 0.734 175 A N -0.149 122.477 122.820 -0.323 0.000 2.612 175 A HA 0.705 5.025 4.320 0.000 0.000 0.293 175 A C -0.705 176.643 177.584 -0.394 0.000 1.075 175 A CA -1.063 50.707 52.037 -0.445 0.000 0.680 175 A CB 1.181 19.706 19.000 -0.792 0.000 1.279 175 A HN 0.353 nan 8.150 nan 0.000 0.411 176 E N 0.626 120.547 120.200 -0.466 0.000 2.319 176 E HA 0.309 4.659 4.350 0.000 0.000 0.268 176 E C 1.272 177.538 176.600 -0.557 0.000 1.050 176 E CA 0.403 56.492 56.400 -0.517 0.000 0.878 176 E CB 1.232 30.434 29.700 -0.830 0.000 1.066 176 E HN 0.826 nan 8.360 nan 0.000 0.406 177 T N -1.115 113.175 114.554 -0.440 0.000 2.803 177 T HA -0.230 4.120 4.350 0.000 0.000 0.269 177 T C 1.472 176.024 174.700 -0.247 0.000 1.052 177 T CA 1.802 63.701 62.100 -0.334 0.000 1.136 177 T CB -0.437 68.280 68.868 -0.252 0.000 0.864 177 T HN 0.640 nan 8.240 nan 0.000 0.467 178 H N 0.973 119.971 119.070 -0.120 0.000 2.529 178 H HA 0.182 4.738 4.556 0.000 0.000 0.277 178 H C 1.479 176.771 175.328 -0.061 0.000 0.999 178 H CA 1.039 57.038 56.048 -0.082 0.000 1.256 178 H CB -0.260 29.455 29.762 -0.078 0.000 1.402 178 H HN 0.558 nan 8.280 nan 0.000 0.566 179 E N 1.613 121.694 120.200 -0.199 0.000 2.371 179 E HA 0.055 4.405 4.350 0.000 0.000 0.194 179 E C 0.809 177.402 176.600 -0.012 0.000 1.012 179 E CA 0.392 56.750 56.400 -0.069 0.000 0.860 179 E CB 0.692 30.252 29.700 -0.233 0.000 0.811 179 E HN 0.364 nan 8.360 nan 0.000 0.502 180 V N -0.882 119.005 119.914 -0.046 0.000 2.513 180 V HA 0.405 4.525 4.120 0.000 0.000 0.299 180 V C 0.071 176.292 176.094 0.212 0.000 1.035 180 V CA -1.232 61.136 62.300 0.114 0.000 0.889 180 V CB 1.864 33.786 31.823 0.166 0.000 0.988 180 V HN -0.007 nan 8.190 nan 0.000 0.440 181 S N 3.657 119.554 115.700 0.328 0.000 2.552 181 S HA 0.401 4.871 4.470 0.000 0.000 0.289 181 S C 1.441 176.274 174.600 0.389 0.000 1.304 181 S CA 0.251 58.660 58.200 0.349 0.000 1.063 181 S CB 0.919 64.368 63.200 0.415 0.000 0.848 181 S HN 1.726 nan 8.310 nan 0.000 0.499 182 A N 5.025 128.006 122.820 0.269 0.000 1.855 182 A HA -0.010 4.310 4.320 0.000 0.000 0.215 182 A C 2.047 179.792 177.584 0.268 0.000 1.191 182 A CA 1.528 53.688 52.037 0.206 0.000 0.613 182 A CB -1.039 18.011 19.000 0.084 0.000 0.829 182 A HN 0.937 nan 8.150 nan 0.000 0.442 183 L N -1.274 120.154 121.223 0.341 0.000 1.997 183 L HA -0.228 4.112 4.340 0.000 0.000 0.216 183 L C 2.250 179.344 176.870 0.373 0.000 1.074 183 L CA 2.759 57.834 54.840 0.392 0.000 0.763 183 L CB -0.907 41.384 42.059 0.387 0.000 0.890 183 L HN 0.687 nan 8.230 nan 0.000 0.434 184 W N -0.779 120.679 121.300 0.263 0.000 2.358 184 W HA -0.281 4.379 4.660 -0.000 0.000 0.303 184 W C 2.347 179.132 176.519 0.444 0.000 1.208 184 W CA 1.862 59.385 57.345 0.297 0.000 1.274 184 W CB -0.609 29.005 29.460 0.257 0.000 1.138 184 W HN 0.297 nan 8.180 nan 0.000 0.515 185 F N 0.348 120.302 119.950 0.006 0.000 2.259 185 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 185 F C 1.984 177.666 175.800 -0.195 0.000 1.088 185 F CA 1.684 59.496 58.000 -0.314 0.000 1.358 185 F CB -0.484 38.476 39.000 -0.068 0.000 1.040 185 F HN -0.192 nan 8.300 nan 0.000 0.505 186 L N -1.124 120.103 121.223 0.006 0.000 2.141 186 L HA -0.169 4.171 4.340 0.000 0.000 0.209 186 L C 2.219 179.017 176.870 -0.119 0.000 1.094 186 L CA 1.354 56.148 54.840 -0.076 0.000 0.763 186 L CB -0.768 41.276 42.059 -0.025 0.000 0.908 186 L HN 0.473 nan 8.230 nan 0.000 0.437 187 W N -0.259 120.904 121.300 -0.229 0.000 2.407 187 W HA -0.267 4.393 4.660 0.000 0.000 0.305 187 W C 2.513 178.823 176.519 -0.348 0.000 1.196 187 W CA 1.158 58.357 57.345 -0.243 0.000 1.311 187 W CB -0.595 28.749 29.460 -0.193 0.000 1.135 187 W HN 0.084 nan 8.180 nan 0.000 0.514 188 Y N 0.783 120.573 120.300 -0.851 0.000 2.207 188 Y HA -0.284 4.266 4.550 -0.000 0.000 0.287 188 Y C 2.300 177.620 175.900 -0.968 0.000 1.156 188 Y CA 2.899 60.273 58.100 -1.210 0.000 1.182 188 Y CB -0.636 37.116 38.460 -1.180 0.000 0.979 188 Y HN -0.119 nan 8.280 nan 0.000 0.521 189 V N 0.552 120.055 119.914 -0.685 0.000 2.283 189 V HA -0.274 3.846 4.120 0.000 0.000 0.243 189 V C 2.288 178.058 176.094 -0.540 0.000 1.039 189 V CA 2.129 64.098 62.300 -0.552 0.000 1.016 189 V CB -0.753 30.825 31.823 -0.409 0.000 0.650 189 V HN 0.386 nan 8.190 nan 0.000 0.449 190 K N 2.062 122.180 120.400 -0.469 0.000 2.044 190 K HA -0.314 4.006 4.320 0.000 0.000 0.210 190 K C 2.007 178.302 176.600 -0.508 0.000 1.049 190 K CA 2.537 58.585 56.287 -0.398 0.000 0.927 190 K CB -0.610 31.728 32.500 -0.270 0.000 0.713 190 K HN 0.608 nan 8.250 nan 0.000 0.443 191 Q N -0.379 118.990 119.800 -0.719 0.000 2.500 191 Q HA -0.025 4.315 4.340 0.000 0.000 0.213 191 Q C 1.182 176.661 176.000 -0.869 0.000 0.974 191 Q CA 1.391 56.760 55.803 -0.724 0.000 0.918 191 Q CB -0.513 27.633 28.738 -0.988 0.000 0.980 191 Q HN 0.361 nan 8.270 nan 0.000 0.505 192 C N 0.300 118.943 119.300 -1.094 0.000 2.693 192 C HA 0.593 5.053 4.460 0.000 0.000 0.286 192 C C 1.501 175.772 174.990 -1.198 0.000 1.277 192 C CA 0.109 58.087 59.018 -1.734 0.000 1.705 192 C CB -0.994 25.724 27.740 -1.704 0.000 1.879 192 C HN 0.836 nan 8.230 nan 0.000 0.607 193 G N 0.331 108.749 108.800 -0.637 0.000 2.141 193 G HA2 0.261 4.221 3.960 0.000 0.000 0.242 193 G HA3 0.261 4.221 3.960 0.000 0.000 0.242 193 G C 0.486 175.221 174.900 -0.274 0.000 0.982 193 G CA 0.085 44.979 45.100 -0.343 0.000 0.662 193 G HN 1.659 nan 8.290 nan 0.000 0.527 194 G N -2.169 106.440 108.800 -0.319 0.000 2.710 194 G HA2 0.285 4.245 3.960 0.000 0.000 0.668 194 G HA3 0.285 4.245 3.960 0.000 0.000 0.668 194 G C 1.056 175.847 174.900 -0.182 0.000 1.320 194 G CA 0.929 45.894 45.100 -0.224 0.000 0.860 194 G HN 1.881 nan 8.290 nan 0.000 0.538 195 T N -3.053 111.419 114.554 -0.137 0.000 2.746 195 T HA -0.099 4.251 4.350 0.000 0.000 0.267 195 T C 2.331 176.928 174.700 -0.173 0.000 1.039 195 T CA 2.847 64.867 62.100 -0.134 0.000 1.142 195 T CB -0.665 68.110 68.868 -0.155 0.000 0.866 195 T HN 0.900 nan 8.240 nan 0.000 0.444 196 T N 1.255 115.732 114.554 -0.127 0.000 2.737 196 T HA -0.006 4.344 4.350 0.000 0.000 0.265 196 T C 2.132 176.836 174.700 0.007 0.000 1.038 196 T CA 1.405 63.504 62.100 -0.002 0.000 1.144 196 T CB -0.313 68.604 68.868 0.082 0.000 0.866 196 T HN 0.290 nan 8.240 nan 0.000 0.434 197 R N 1.033 121.515 120.500 -0.030 0.000 2.091 197 R HA 0.099 4.439 4.340 0.000 0.000 0.238 197 R C 2.167 178.492 176.300 0.042 0.000 1.136 197 R CA 1.301 57.401 56.100 -0.001 0.000 0.959 197 R CB -0.865 29.405 30.300 -0.050 0.000 0.856 197 R HN 0.442 nan 8.270 nan 0.000 0.437 198 I N 0.183 120.736 120.570 -0.029 0.000 2.546 198 I HA -0.119 4.051 4.170 0.000 0.000 0.255 198 I C 1.477 177.680 176.117 0.144 0.000 1.163 198 I CA 1.041 62.372 61.300 0.051 0.000 1.457 198 I CB 0.126 38.109 38.000 -0.029 0.000 1.092 198 I HN 0.340 nan 8.210 nan 0.000 0.434 199 I N -2.973 117.647 120.570 0.083 0.000 3.854 199 I HA 0.196 4.366 4.170 0.000 0.000 0.312 199 I C 0.901 177.061 176.117 0.071 0.000 1.273 199 I CA -0.093 61.251 61.300 0.075 0.000 1.298 199 I CB 0.048 38.023 38.000 -0.042 0.000 1.071 199 I HN -0.147 nan 8.210 nan 0.000 0.428 200 S N 1.269 117.008 115.700 0.066 0.000 2.592 200 S HA 0.262 4.732 4.470 0.000 0.000 0.271 200 S C 0.985 175.599 174.600 0.023 0.000 1.326 200 S CA 0.001 58.228 58.200 0.045 0.000 1.024 200 S CB 1.445 64.654 63.200 0.014 0.000 0.921 200 S HN 0.364 nan 8.310 nan 0.000 0.527 201 T N 1.909 116.468 114.554 0.008 0.000 3.000 201 T HA 0.042 4.392 4.350 0.000 0.000 0.233 201 T C 0.576 175.258 174.700 -0.030 0.000 1.036 201 T CA 0.540 62.627 62.100 -0.023 0.000 1.333 201 T CB -0.388 68.467 68.868 -0.020 0.000 1.048 201 T HN 0.594 nan 8.240 nan 0.000 0.425 202 T N 3.541 118.075 114.554 -0.033 0.000 2.831 202 T HA 0.106 4.456 4.350 0.000 0.000 0.291 202 T C 0.684 175.362 174.700 -0.037 0.000 0.981 202 T CA 0.487 62.565 62.100 -0.037 0.000 1.174 202 T CB -0.214 68.629 68.868 -0.042 0.000 0.929 202 T HN 0.532 nan 8.240 nan 0.000 0.532 203 N N 0.815 119.496 118.700 -0.031 0.000 2.850 203 N HA -0.140 4.600 4.740 0.000 0.000 0.249 203 N C 0.107 175.615 175.510 -0.002 0.000 1.060 203 N CA 1.429 54.467 53.050 -0.021 0.000 0.825 203 N CB -1.074 37.397 38.487 -0.027 0.000 1.132 203 N HN 0.941 nan 8.380 nan 0.000 0.564 204 G N -3.094 105.704 108.800 -0.003 0.000 2.975 204 G HA2 0.556 4.516 3.960 0.000 0.000 0.291 204 G HA3 0.556 4.516 3.960 0.000 0.000 0.291 204 G C 0.985 175.889 174.900 0.006 0.000 1.334 204 G CA -0.000 45.123 45.100 0.039 0.000 0.843 204 G HN 0.328 nan 8.290 nan 0.000 0.548 205 G N -0.941 107.911 108.800 0.088 0.000 2.516 205 G HA2 -0.070 3.890 3.960 0.000 0.000 0.221 205 G HA3 -0.070 3.890 3.960 0.000 0.000 0.221 205 G C 1.151 176.014 174.900 -0.062 0.000 1.107 205 G CA 1.122 46.186 45.100 -0.061 0.000 0.747 205 G HN 0.413 nan 8.290 nan 0.000 0.567 206 Q N -0.694 119.070 119.800 -0.061 0.000 2.188 206 Q HA 0.284 4.624 4.340 0.000 0.000 0.212 206 Q C 1.688 177.631 176.000 -0.094 0.000 0.846 206 Q CA -0.152 55.554 55.803 -0.160 0.000 0.989 206 Q CB 0.678 29.246 28.738 -0.284 0.000 1.114 206 Q HN 0.585 nan 8.270 nan 0.000 0.488 207 E N 0.457 120.613 120.200 -0.073 0.000 2.110 207 E HA -0.083 4.267 4.350 0.000 0.000 0.193 207 E C -0.038 176.513 176.600 -0.082 0.000 0.988 207 E CA 0.857 57.215 56.400 -0.069 0.000 0.804 207 E CB 0.425 30.079 29.700 -0.076 0.000 0.745 207 E HN 0.141 nan 8.360 nan 0.000 0.458 208 R N -0.896 119.536 120.500 -0.114 0.000 2.774 208 R HA 0.410 4.750 4.340 0.000 0.000 0.272 208 R C -0.994 175.098 176.300 -0.346 0.000 1.000 208 R CA -0.752 55.197 56.100 -0.252 0.000 0.906 208 R CB 2.001 32.137 30.300 -0.273 0.000 1.227 208 R HN -0.167 nan 8.270 nan 0.000 0.468 209 K N 1.125 121.151 120.400 -0.624 0.000 2.444 209 K HA 0.412 4.732 4.320 0.000 0.000 0.252 209 K C -0.915 175.382 176.600 -0.505 0.000 0.993 209 K CA -0.772 55.129 56.287 -0.644 0.000 0.847 209 K CB 1.691 33.852 32.500 -0.565 0.000 1.340 209 K HN 0.290 nan 8.250 nan 0.000 0.446 210 F N 1.119 121.004 119.950 -0.107 0.000 2.438 210 F HA 0.101 4.628 4.527 -0.000 0.000 0.356 210 F C 0.713 176.561 175.800 0.080 0.000 1.099 210 F CA -1.039 56.946 58.000 -0.024 0.000 1.185 210 F CB 1.012 39.974 39.000 -0.064 0.000 1.115 210 F HN 0.011 nan 8.300 nan 0.000 0.526 211 V N 4.020 124.141 119.914 0.345 0.000 2.458 211 V HA 0.202 4.322 4.120 0.000 0.000 0.287 211 V C 0.901 176.922 176.094 -0.121 0.000 1.009 211 V CA 1.287 63.719 62.300 0.221 0.000 1.091 211 V CB 0.101 32.029 31.823 0.175 0.000 0.960 211 V HN 1.119 nan 8.190 nan 0.000 0.476 212 G N 3.437 111.826 108.800 -0.686 0.000 2.194 212 G HA2 0.157 4.117 3.960 0.000 0.000 0.236 212 G HA3 0.157 4.117 3.960 0.000 0.000 0.236 212 G C 0.734 175.133 174.900 -0.834 0.000 0.987 212 G CA -0.145 44.266 45.100 -1.148 0.000 0.635 212 G HN 2.356 nan 8.290 nan 0.000 0.520 213 G N -1.150 107.448 108.800 -0.338 0.000 2.712 213 G HA2 0.339 4.299 3.960 0.000 0.000 0.686 213 G HA3 0.339 4.299 3.960 0.000 0.000 0.686 213 G C 0.884 175.814 174.900 0.051 0.000 1.181 213 G CA 0.856 45.938 45.100 -0.030 0.000 0.762 213 G HN 1.894 nan 8.290 nan 0.000 0.641 214 S N 0.345 116.143 115.700 0.162 0.000 2.447 214 S HA 0.078 4.548 4.470 0.000 0.000 0.233 214 S C 2.562 177.187 174.600 0.042 0.000 1.006 214 S CA 1.695 60.017 58.200 0.203 0.000 0.957 214 S CB -0.140 63.209 63.200 0.248 0.000 0.773 214 S HN 2.204 nan 8.310 nan 0.000 0.507 215 G N 1.472 110.292 108.800 0.034 0.000 2.479 215 G HA2 -0.191 3.769 3.960 0.000 0.000 0.220 215 G HA3 -0.191 3.769 3.960 0.000 0.000 0.220 215 G C 1.436 176.321 174.900 -0.024 0.000 1.115 215 G CA 0.706 45.824 45.100 0.030 0.000 0.757 215 G HN 0.674 nan 8.290 nan 0.000 0.560 216 Q N -0.148 119.602 119.800 -0.083 0.000 2.226 216 Q HA -0.030 4.310 4.340 0.000 0.000 0.204 216 Q C 2.696 178.614 176.000 -0.138 0.000 0.975 216 Q CA 0.939 56.671 55.803 -0.118 0.000 0.866 216 Q CB -0.203 28.437 28.738 -0.163 0.000 0.915 216 Q HN 0.404 nan 8.270 nan 0.000 0.440 217 V N 0.375 120.186 119.914 -0.173 0.000 2.287 217 V HA -0.300 3.820 4.120 0.000 0.000 0.248 217 V C 2.140 178.184 176.094 -0.084 0.000 1.053 217 V CA 2.137 64.340 62.300 -0.162 0.000 1.027 217 V CB -0.510 31.213 31.823 -0.167 0.000 0.646 217 V HN 0.305 nan 8.190 nan 0.000 0.447 218 S N -1.080 114.595 115.700 -0.042 0.000 2.362 218 S HA -0.149 4.321 4.470 0.000 0.000 0.221 218 S C 1.913 176.499 174.600 -0.023 0.000 1.032 218 S CA 1.217 59.407 58.200 -0.017 0.000 0.973 218 S CB -0.185 63.027 63.200 0.021 0.000 0.849 218 S HN 0.659 nan 8.310 nan 0.000 0.465 219 E N 1.076 121.263 120.200 -0.021 0.000 2.065 219 E HA -0.196 4.154 4.350 0.000 0.000 0.201 219 E C 2.340 178.913 176.600 -0.044 0.000 1.016 219 E CA 1.300 57.685 56.400 -0.025 0.000 0.818 219 E CB -0.108 29.577 29.700 -0.025 0.000 0.749 219 E HN 0.321 nan 8.360 nan 0.000 0.453 220 R N 0.058 120.521 120.500 -0.062 0.000 2.115 220 R HA -0.064 4.276 4.340 0.000 0.000 0.230 220 R C 2.377 178.636 176.300 -0.068 0.000 1.111 220 R CA 0.961 57.020 56.100 -0.068 0.000 0.976 220 R CB -0.201 30.048 30.300 -0.084 0.000 0.870 220 R HN 0.244 nan 8.270 nan 0.000 0.445 221 I N 0.466 120.995 120.570 -0.069 0.000 2.394 221 I HA -0.261 3.909 4.170 0.000 0.000 0.251 221 I C 2.592 178.659 176.117 -0.083 0.000 1.136 221 I CA 1.059 62.313 61.300 -0.076 0.000 1.425 221 I CB -0.153 37.807 38.000 -0.066 0.000 1.079 221 I HN 0.229 nan 8.210 nan 0.000 0.425 222 M N 0.739 120.302 119.600 -0.062 0.000 2.200 222 M HA -0.197 4.283 4.480 0.000 0.000 0.265 222 M C 1.663 177.928 176.300 -0.058 0.000 1.066 222 M CA 1.817 57.083 55.300 -0.057 0.000 1.127 222 M CB -0.175 32.404 32.600 -0.035 0.000 1.379 222 M HN 0.122 nan 8.290 nan 0.000 0.420 223 D N 1.082 121.451 120.400 -0.052 0.000 2.126 223 D HA -0.217 4.423 4.640 0.000 0.000 0.190 223 D C 2.007 178.271 176.300 -0.060 0.000 1.001 223 D CA 1.684 55.656 54.000 -0.047 0.000 0.841 223 D CB -0.709 40.066 40.800 -0.042 0.000 0.949 223 D HN 0.419 nan 8.370 nan 0.000 0.446 224 L N -0.020 121.154 121.223 -0.082 0.000 2.042 224 L HA -0.151 4.189 4.340 0.000 0.000 0.210 224 L C 2.463 179.231 176.870 -0.170 0.000 1.076 224 L CA 0.851 55.626 54.840 -0.108 0.000 0.749 224 L CB -0.414 41.570 42.059 -0.126 0.000 0.893 224 L HN 0.024 nan 8.230 nan 0.000 0.432 225 L N -0.878 120.229 121.223 -0.193 0.000 2.554 225 L HA 0.136 4.476 4.340 0.000 0.000 0.226 225 L C 1.768 178.577 176.870 -0.100 0.000 1.137 225 L CA 0.324 55.027 54.840 -0.229 0.000 0.863 225 L CB -0.860 41.076 42.059 -0.205 0.000 0.985 225 L HN 0.433 nan 8.230 nan 0.000 0.451 226 G N 2.067 110.827 108.800 -0.066 0.000 2.672 226 G HA2 -0.483 3.477 3.960 0.000 0.000 0.324 226 G HA3 -0.483 3.477 3.960 0.000 0.000 0.324 226 G C 0.643 175.532 174.900 -0.018 0.000 1.286 226 G CA 0.751 45.834 45.100 -0.029 0.000 1.004 226 G HN 0.551 nan 8.290 nan 0.000 0.548 227 D N 0.901 121.300 120.400 -0.000 0.000 2.363 227 D HA 0.040 4.680 4.640 0.000 0.000 0.226 227 D C 2.078 178.389 176.300 0.018 0.000 1.020 227 D CA 0.710 54.717 54.000 0.011 0.000 0.892 227 D CB -0.360 40.452 40.800 0.021 0.000 0.900 227 D HN 0.635 nan 8.370 nan 0.000 0.531 228 R N -0.124 120.382 120.500 0.009 0.000 2.280 228 R HA 0.103 4.443 4.340 0.000 0.000 0.207 228 R C 0.170 176.462 176.300 -0.013 0.000 1.043 228 R CA 0.210 56.318 56.100 0.013 0.000 1.006 228 R CB 0.262 30.569 30.300 0.013 0.000 0.885 228 R HN 0.084 nan 8.270 nan 0.000 0.467 229 V N 2.940 122.840 119.914 -0.023 0.000 2.364 229 V HA 0.129 4.249 4.120 0.000 0.000 0.272 229 V C -0.124 175.952 176.094 -0.029 0.000 1.036 229 V CA -0.571 61.707 62.300 -0.037 0.000 0.880 229 V CB 1.354 33.154 31.823 -0.038 0.000 0.991 229 V HN 0.050 nan 8.190 nan 0.000 0.460 230 K N 6.641 127.010 120.400 -0.051 0.000 2.281 230 K HA 0.535 4.855 4.320 0.000 0.000 0.272 230 K C -0.681 175.887 176.600 -0.052 0.000 1.048 230 K CA -0.318 55.947 56.287 -0.037 0.000 0.898 230 K CB 1.884 34.359 32.500 -0.041 0.000 1.128 230 K HN 0.492 nan 8.250 nan 0.000 0.460 231 L N 1.576 122.779 121.223 -0.032 0.000 2.399 231 L HA 0.162 4.502 4.340 0.000 0.000 0.266 231 L C 0.687 177.530 176.870 -0.044 0.000 1.114 231 L CA -0.218 54.597 54.840 -0.042 0.000 0.804 231 L CB 0.231 42.275 42.059 -0.025 0.000 1.146 231 L HN 0.715 nan 8.230 nan 0.000 0.451 232 E N 0.506 120.664 120.200 -0.069 0.000 2.389 232 E HA -0.224 4.126 4.350 0.000 0.000 0.243 232 E C -0.578 175.980 176.600 -0.070 0.000 1.154 232 E CA 0.318 56.674 56.400 -0.074 0.000 0.723 232 E CB -0.650 29.029 29.700 -0.036 0.000 1.261 232 E HN 0.343 nan 8.360 nan 0.000 0.390 233 R N 0.127 120.569 120.500 -0.098 0.000 2.860 233 R HA 0.249 4.589 4.340 0.000 0.000 0.282 233 R C -2.681 173.539 176.300 -0.134 0.000 1.408 233 R CA -2.167 53.880 56.100 -0.089 0.000 1.636 233 R CB 0.450 30.694 30.300 -0.093 0.000 1.187 233 R HN -0.006 nan 8.270 nan 0.000 0.611 234 P HA -0.019 nan 4.420 nan 0.000 0.267 234 P C -0.273 176.994 177.300 -0.056 0.000 1.209 234 P CA -0.032 62.975 63.100 -0.156 0.000 0.763 234 P CB 0.791 32.426 31.700 -0.108 0.000 0.816 235 V N 5.709 125.598 119.914 -0.041 0.000 2.555 235 V HA 0.074 4.194 4.120 0.000 0.000 0.286 235 V C 1.715 177.821 176.094 0.020 0.000 1.044 235 V CA 0.358 62.647 62.300 -0.018 0.000 1.026 235 V CB 0.454 32.255 31.823 -0.037 0.000 0.981 235 V HN 0.535 nan 8.190 nan 0.000 0.480 236 I N 1.746 122.338 120.570 0.037 0.000 4.288 236 I HA 0.455 4.625 4.170 0.000 0.000 0.331 236 I C -0.082 176.120 176.117 0.141 0.000 1.322 236 I CA 0.095 61.443 61.300 0.080 0.000 1.149 236 I CB 0.679 38.701 38.000 0.038 0.000 1.112 236 I HN 0.511 nan 8.210 nan 0.000 0.403 237 Y N 1.753 121.989 120.300 -0.107 0.000 2.424 237 Y HA 0.653 5.203 4.550 -0.000 0.000 0.323 237 Y C -2.102 173.709 175.900 -0.149 0.000 1.174 237 Y CA -1.714 56.307 58.100 -0.132 0.000 1.060 237 Y CB 1.418 39.832 38.460 -0.077 0.000 1.314 237 Y HN 0.014 nan 8.280 nan 0.000 0.439 238 I N 5.822 125.955 120.570 -0.729 0.000 2.499 238 I HA 0.298 4.468 4.170 0.000 0.000 0.288 238 I C -1.303 174.430 176.117 -0.641 0.000 1.048 238 I CA -0.717 60.227 61.300 -0.593 0.000 1.062 238 I CB 1.877 39.693 38.000 -0.306 0.000 1.238 238 I HN 0.519 nan 8.210 nan 0.000 0.426 239 D N 5.857 125.927 120.400 -0.550 0.000 2.344 239 D HA 0.275 4.915 4.640 0.000 0.000 0.239 239 D C -0.153 176.084 176.300 -0.105 0.000 1.064 239 D CA -0.125 53.694 54.000 -0.302 0.000 0.829 239 D CB 1.727 42.380 40.800 -0.244 0.000 1.129 239 D HN 0.531 nan 8.370 nan 0.000 0.506 240 Q N 1.538 121.321 119.800 -0.028 0.000 2.179 240 Q HA 0.047 4.387 4.340 0.000 0.000 0.213 240 Q C 1.433 177.437 176.000 0.006 0.000 0.833 240 Q CA 0.017 55.818 55.803 -0.002 0.000 0.990 240 Q CB 0.887 29.641 28.738 0.026 0.000 1.132 240 Q HN 0.586 nan 8.270 nan 0.000 0.493 241 T N -2.245 112.317 114.554 0.013 0.000 2.985 241 T HA 0.058 4.408 4.350 0.000 0.000 0.266 241 T C 1.112 175.820 174.700 0.013 0.000 1.076 241 T CA 0.296 62.410 62.100 0.023 0.000 1.135 241 T CB 0.295 69.186 68.868 0.039 0.000 0.890 241 T HN 0.030 nan 8.240 nan 0.000 0.480 242 R N 0.535 121.038 120.500 0.006 0.000 2.541 242 R HA 0.402 4.742 4.340 0.000 0.000 0.254 242 R C 1.797 178.089 176.300 -0.014 0.000 1.130 242 R CA -0.350 55.750 56.100 0.000 0.000 1.152 242 R CB 0.488 30.791 30.300 0.004 0.000 1.222 242 R HN 0.303 nan 8.270 nan 0.000 0.579 243 E N 0.638 120.828 120.200 -0.017 0.000 2.031 243 E HA -0.153 4.197 4.350 0.000 0.000 0.193 243 E C -0.306 176.262 176.600 -0.053 0.000 0.994 243 E CA 1.113 57.495 56.400 -0.030 0.000 0.800 243 E CB 0.133 29.818 29.700 -0.025 0.000 0.752 243 E HN 0.322 nan 8.360 nan 0.000 0.447 244 N N 0.615 119.287 118.700 -0.047 0.000 2.473 244 N HA 0.150 4.890 4.740 0.000 0.000 0.291 244 N C -0.877 174.605 175.510 -0.047 0.000 1.083 244 N CA -0.299 52.715 53.050 -0.060 0.000 0.951 244 N CB 1.952 40.413 38.487 -0.043 0.000 1.164 244 N HN -0.094 nan 8.380 nan 0.000 0.480 245 V N 2.242 122.122 119.914 -0.057 0.000 2.585 245 V HA 0.111 4.231 4.120 0.000 0.000 0.296 245 V C 0.548 176.627 176.094 -0.026 0.000 1.035 245 V CA -0.166 62.109 62.300 -0.041 0.000 1.084 245 V CB -0.157 31.647 31.823 -0.032 0.000 0.953 245 V HN 0.363 nan 8.190 nan 0.000 0.483 246 L N 5.572 126.768 121.223 -0.045 0.000 2.305 246 L HA 0.566 4.906 4.340 0.000 0.000 0.284 246 L C -0.544 176.286 176.870 -0.067 0.000 1.013 246 L CA -0.477 54.347 54.840 -0.027 0.000 0.819 246 L CB 1.761 43.814 42.059 -0.011 0.000 1.227 246 L HN 0.386 nan 8.230 nan 0.000 0.417 247 V N 2.951 122.876 119.914 0.020 0.000 2.378 247 V HA 0.326 4.446 4.120 0.000 0.000 0.288 247 V C -0.093 176.074 176.094 0.121 0.000 1.016 247 V CA -0.580 61.728 62.300 0.013 0.000 0.840 247 V CB 1.735 33.572 31.823 0.024 0.000 0.994 247 V HN 0.725 nan 8.190 nan 0.000 0.431 248 E N 2.920 123.192 120.200 0.120 0.000 2.214 248 E HA 0.641 4.992 4.350 0.000 0.000 0.274 248 E C -0.197 176.476 176.600 0.123 0.000 0.977 248 E CA -0.441 56.069 56.400 0.183 0.000 0.827 248 E CB 1.762 31.620 29.700 0.265 0.000 1.130 248 E HN 0.827 nan 8.360 nan 0.000 0.394 249 T N 0.763 115.385 114.554 0.114 0.000 2.949 249 T HA 0.213 4.563 4.350 0.000 0.000 0.287 249 T C 0.854 175.526 174.700 -0.048 0.000 1.034 249 T CA -0.835 61.289 62.100 0.040 0.000 1.018 249 T CB 1.145 70.050 68.868 0.062 0.000 1.135 249 T HN 0.434 nan 8.240 nan 0.000 0.532 250 L N 1.780 122.954 121.223 -0.081 0.000 2.056 250 L HA 0.047 4.387 4.340 0.000 0.000 0.207 250 L C 2.143 178.833 176.870 -0.301 0.000 1.078 250 L CA 2.331 57.069 54.840 -0.169 0.000 0.749 250 L CB -1.181 40.834 42.059 -0.075 0.000 0.901 250 L HN 0.952 nan 8.230 nan 0.000 0.433 251 N N -2.528 116.096 118.700 -0.126 0.000 2.609 251 N HA -0.167 4.573 4.740 0.000 0.000 0.190 251 N C 0.213 175.767 175.510 0.072 0.000 1.157 251 N CA 0.993 54.027 53.050 -0.026 0.000 0.918 251 N CB -0.320 38.188 38.487 0.035 0.000 0.978 251 N HN 0.602 nan 8.380 nan 0.000 0.448 252 H N -3.483 115.611 119.070 0.041 0.000 3.431 252 H HA -0.114 4.442 4.556 -0.000 0.000 0.182 252 H C -0.841 174.506 175.328 0.032 0.000 0.982 252 H CA 0.676 56.741 56.048 0.029 0.000 1.193 252 H CB -1.634 28.133 29.762 0.009 0.000 1.035 252 H HN 0.453 nan 8.280 nan 0.000 0.363 253 E N 0.922 121.205 120.200 0.138 0.000 2.349 253 E HA 0.408 4.758 4.350 0.000 0.000 0.262 253 E C 0.115 176.759 176.600 0.072 0.000 1.088 253 E CA -0.360 56.084 56.400 0.074 0.000 0.899 253 E CB 0.739 30.512 29.700 0.122 0.000 1.044 253 E HN 0.043 nan 8.360 nan 0.000 0.420 254 M N 1.997 121.534 119.600 -0.105 0.000 2.465 254 M HA 0.388 4.868 4.480 0.000 0.000 0.316 254 M C -1.452 174.666 176.300 -0.303 0.000 1.121 254 M CA -0.590 54.680 55.300 -0.050 0.000 0.934 254 M CB 1.246 33.830 32.600 -0.026 0.000 1.692 254 M HN 0.514 nan 8.290 nan 0.000 0.444 255 Y N 0.148 120.455 120.300 0.012 0.000 2.545 255 Y HA 0.546 5.096 4.550 -0.000 0.000 0.348 255 Y C -0.212 175.686 175.900 -0.004 0.000 1.002 255 Y CA -0.753 57.349 58.100 0.004 0.000 1.039 255 Y CB 1.922 40.382 38.460 0.001 0.000 1.271 255 Y HN 0.571 nan 8.280 nan 0.000 0.467 256 E N 1.314 121.586 120.200 0.120 0.000 2.275 256 E HA 0.846 5.196 4.350 0.000 0.000 0.270 256 E C -1.714 174.919 176.600 0.054 0.000 0.882 256 E CA -0.708 55.725 56.400 0.055 0.000 0.758 256 E CB 1.747 31.456 29.700 0.015 0.000 1.195 256 E HN 0.777 nan 8.360 nan 0.000 0.419 257 A N 3.284 126.118 122.820 0.024 0.000 2.599 257 A HA 0.377 4.697 4.320 0.000 0.000 0.290 257 A C -0.250 177.299 177.584 -0.058 0.000 1.101 257 A CA -0.631 51.413 52.037 0.012 0.000 0.674 257 A CB 1.468 20.496 19.000 0.048 0.000 1.277 257 A HN 0.643 nan 8.150 nan 0.000 0.419 258 K N -0.920 119.423 120.400 -0.096 0.000 2.167 258 K HA 0.126 4.446 4.320 0.000 0.000 0.203 258 K C -0.759 175.516 176.600 -0.541 0.000 1.052 258 K CA 1.426 57.512 56.287 -0.334 0.000 0.956 258 K CB -0.020 32.292 32.500 -0.314 0.000 0.735 258 K HN 0.581 nan 8.250 nan 0.000 0.451 259 Y N -0.940 119.377 120.300 0.028 0.000 2.571 259 Y HA 0.353 4.903 4.550 -0.000 0.000 0.341 259 Y C -0.738 175.180 175.900 0.029 0.000 1.076 259 Y CA -1.279 56.848 58.100 0.045 0.000 1.029 259 Y CB 1.982 40.452 38.460 0.017 0.000 1.308 259 Y HN -0.413 nan 8.280 nan 0.000 0.461 260 V N 3.979 124.025 119.914 0.220 0.000 2.604 260 V HA 0.497 4.617 4.120 0.000 0.000 0.305 260 V C -0.522 175.612 176.094 0.067 0.000 1.043 260 V CA -0.822 61.535 62.300 0.095 0.000 0.888 260 V CB 2.006 33.853 31.823 0.041 0.000 0.995 260 V HN 0.560 nan 8.190 nan 0.000 0.429 261 I N 2.924 123.502 120.570 0.013 0.000 2.378 261 I HA 0.393 4.563 4.170 0.000 0.000 0.291 261 I C 0.148 176.236 176.117 -0.049 0.000 0.992 261 I CA -0.226 61.057 61.300 -0.028 0.000 1.154 261 I CB 2.009 40.005 38.000 -0.007 0.000 1.315 261 I HN 0.610 nan 8.210 nan 0.000 0.448 262 S N 5.312 120.943 115.700 -0.116 0.000 2.410 262 S HA 0.606 5.076 4.470 0.000 0.000 0.304 262 S C 0.161 174.827 174.600 0.111 0.000 1.095 262 S CA -0.442 57.759 58.200 0.003 0.000 1.089 262 S CB 0.764 63.977 63.200 0.021 0.000 0.968 262 S HN 0.709 nan 8.310 nan 0.000 0.480 263 A N 6.206 129.090 122.820 0.106 0.000 3.041 263 A HA 0.512 4.832 4.320 0.000 0.000 0.307 263 A C 0.180 177.844 177.584 0.133 0.000 1.116 263 A CA -0.717 51.392 52.037 0.120 0.000 1.001 263 A CB -0.523 18.523 19.000 0.077 0.000 1.112 263 A HN 0.944 nan 8.150 nan 0.000 0.556 264 I N -3.932 116.738 120.570 0.167 0.000 2.892 264 I HA 0.684 4.854 4.170 0.000 0.000 0.306 264 I C -2.999 173.220 176.117 0.170 0.000 1.078 264 I CA -3.090 58.306 61.300 0.162 0.000 1.032 264 I CB 1.792 39.889 38.000 0.162 0.000 1.229 264 I HN -0.134 nan 8.210 nan 0.000 0.435 265 P HA 0.080 nan 4.420 nan 0.000 0.261 265 P C -2.155 175.205 177.300 0.100 0.000 1.165 265 P CA -0.339 62.833 63.100 0.120 0.000 0.759 265 P CB 0.001 31.759 31.700 0.096 0.000 0.772 266 P HA -0.257 nan 4.420 nan 0.000 0.217 266 P C 1.621 178.910 177.300 -0.019 0.000 1.162 266 P CA 1.942 65.052 63.100 0.018 0.000 0.901 266 P CB -0.267 31.408 31.700 -0.042 0.000 0.793 267 T N -1.515 113.001 114.554 -0.063 0.000 2.929 267 T HA -0.072 4.278 4.350 0.000 0.000 0.271 267 T C 1.514 176.205 174.700 -0.014 0.000 1.085 267 T CA 0.723 62.775 62.100 -0.081 0.000 1.125 267 T CB -0.779 68.004 68.868 -0.141 0.000 0.874 267 T HN -0.035 nan 8.240 nan 0.000 0.494 268 L N 0.241 121.486 121.223 0.037 0.000 2.465 268 L HA 0.138 4.478 4.340 0.000 0.000 0.224 268 L C 2.861 179.802 176.870 0.119 0.000 1.145 268 L CA 0.720 55.605 54.840 0.075 0.000 0.834 268 L CB -0.836 41.290 42.059 0.112 0.000 0.944 268 L HN 0.354 nan 8.230 nan 0.000 0.451 269 G N 0.248 109.134 108.800 0.144 0.000 2.507 269 G HA2 -0.311 3.649 3.960 0.000 0.000 0.221 269 G HA3 -0.311 3.649 3.960 0.000 0.000 0.221 269 G C 1.593 176.624 174.900 0.218 0.000 1.119 269 G CA 0.495 45.734 45.100 0.231 0.000 0.751 269 G HN 0.153 nan 8.290 nan 0.000 0.574 270 M N 0.440 120.100 119.600 0.101 0.000 2.202 270 M HA -0.037 4.443 4.480 0.000 0.000 0.262 270 M C 2.091 178.406 176.300 0.024 0.000 1.063 270 M CA 1.029 56.357 55.300 0.047 0.000 1.097 270 M CB -0.619 31.971 32.600 -0.015 0.000 1.382 270 M HN 0.163 nan 8.290 nan 0.000 0.413 271 K N 0.188 120.621 120.400 0.054 0.000 2.574 271 K HA 0.111 4.431 4.320 0.000 0.000 0.193 271 K C 0.288 176.936 176.600 0.079 0.000 1.035 271 K CA 0.491 56.817 56.287 0.065 0.000 0.982 271 K CB -0.124 32.441 32.500 0.108 0.000 0.795 271 K HN 0.361 nan 8.250 nan 0.000 0.491 272 I N 0.920 121.504 120.570 0.024 0.000 2.466 272 I HA 0.130 4.300 4.170 0.000 0.000 0.289 272 I C 0.007 176.012 176.117 -0.186 0.000 1.026 272 I CA -0.712 60.530 61.300 -0.097 0.000 1.078 272 I CB 1.701 39.505 38.000 -0.327 0.000 1.249 272 I HN 0.036 nan 8.210 nan 0.000 0.429 273 H N 6.069 125.059 119.070 -0.132 0.000 2.580 273 H HA 0.361 4.917 4.556 0.000 0.000 0.322 273 H C -1.116 174.157 175.328 -0.091 0.000 1.082 273 H CA -0.106 55.948 56.048 0.010 0.000 1.383 273 H CB 1.193 31.026 29.762 0.119 0.000 1.450 273 H HN 0.302 nan 8.280 nan 0.000 0.505 274 F N 1.533 121.620 119.950 0.228 0.000 2.492 274 F HA 0.210 4.737 4.527 0.000 0.000 0.327 274 F C 0.438 176.322 175.800 0.140 0.000 1.079 274 F CA -0.771 57.302 58.000 0.121 0.000 0.967 274 F CB 1.657 40.697 39.000 0.066 0.000 1.169 274 F HN 0.484 nan 8.300 nan 0.000 0.472 275 N N 3.025 121.880 118.700 0.259 0.000 2.549 275 N HA 0.385 5.125 4.740 0.000 0.000 0.290 275 N C -3.144 172.439 175.510 0.121 0.000 1.122 275 N CA -2.014 51.152 53.050 0.193 0.000 0.885 275 N CB 2.125 40.757 38.487 0.241 0.000 1.455 275 N HN 0.029 nan 8.380 nan 0.000 0.521 276 P HA 0.330 nan 4.420 nan 0.000 0.273 276 P C -2.661 174.723 177.300 0.141 0.000 1.250 276 P CA -1.073 62.092 63.100 0.109 0.000 0.793 276 P CB -0.398 31.342 31.700 0.066 0.000 1.011 277 P HA 0.063 nan 4.420 nan 0.000 0.267 277 P C 0.057 177.371 177.300 0.024 0.000 1.200 277 P CA 0.300 63.464 63.100 0.106 0.000 0.772 277 P CB 0.128 31.871 31.700 0.072 0.000 0.855 278 L N 4.349 125.532 121.223 -0.067 0.000 2.529 278 L HA 0.035 4.375 4.340 0.000 0.000 0.287 278 L C -1.489 175.324 176.870 -0.095 0.000 1.241 278 L CA -1.278 53.453 54.840 -0.183 0.000 0.857 278 L CB -0.818 41.046 42.059 -0.326 0.000 1.113 278 L HN 0.342 nan 8.230 nan 0.000 0.504 279 P HA -0.092 nan 4.420 nan 0.000 0.270 279 P C 0.610 177.876 177.300 -0.058 0.000 1.221 279 P CA -0.190 62.874 63.100 -0.061 0.000 0.788 279 P CB 0.419 32.082 31.700 -0.062 0.000 0.904 280 M N 1.139 120.717 119.600 -0.037 0.000 2.065 280 M HA -0.198 4.282 4.480 0.000 0.000 0.259 280 M C 1.337 177.639 176.300 0.003 0.000 1.069 280 M CA 2.299 57.588 55.300 -0.018 0.000 1.110 280 M CB -0.443 32.149 32.600 -0.013 0.000 1.328 280 M HN 0.100 nan 8.290 nan 0.000 0.405 281 M N 0.148 119.746 119.600 -0.003 0.000 2.080 281 M HA -0.195 4.285 4.480 0.000 0.000 0.260 281 M C 2.352 178.691 176.300 0.065 0.000 1.068 281 M CA 2.003 57.337 55.300 0.058 0.000 1.109 281 M CB -1.650 30.923 32.600 -0.045 0.000 1.342 281 M HN 0.438 nan 8.290 nan 0.000 0.405 282 R N 0.193 120.661 120.500 -0.054 0.000 2.092 282 R HA -0.167 4.173 4.340 0.000 0.000 0.231 282 R C 2.027 178.244 176.300 -0.138 0.000 1.119 282 R CA 1.719 57.741 56.100 -0.131 0.000 0.970 282 R CB -0.246 29.927 30.300 -0.213 0.000 0.864 282 R HN 0.375 nan 8.270 nan 0.000 0.440 283 N N 0.456 119.090 118.700 -0.110 0.000 2.061 283 N HA -0.229 4.511 4.740 0.000 0.000 0.193 283 N C 1.602 177.050 175.510 -0.102 0.000 1.030 283 N CA 1.999 54.990 53.050 -0.098 0.000 0.856 283 N CB -0.023 38.427 38.487 -0.061 0.000 1.023 283 N HN 0.371 nan 8.380 nan 0.000 0.424 284 Q N -0.938 118.810 119.800 -0.087 0.000 2.096 284 Q HA -0.083 4.257 4.340 0.000 0.000 0.197 284 Q C 2.049 177.830 176.000 -0.364 0.000 0.964 284 Q CA 0.862 56.565 55.803 -0.166 0.000 0.838 284 Q CB -0.185 28.515 28.738 -0.063 0.000 0.906 284 Q HN 0.491 nan 8.270 nan 0.000 0.444 285 M N 1.668 121.041 119.600 -0.379 0.000 2.082 285 M HA -0.183 4.297 4.480 0.000 0.000 0.258 285 M C 2.016 178.094 176.300 -0.369 0.000 1.069 285 M CA 1.680 56.695 55.300 -0.475 0.000 1.102 285 M CB -0.520 31.961 32.600 -0.199 0.000 1.336 285 M HN 0.310 nan 8.290 nan 0.000 0.404 286 I N -1.506 118.909 120.570 -0.257 0.000 3.241 286 I HA -0.081 4.089 4.170 0.000 0.000 0.280 286 I C 1.450 177.442 176.117 -0.208 0.000 1.320 286 I CA 1.356 62.531 61.300 -0.208 0.000 1.413 286 I CB -1.015 36.908 38.000 -0.128 0.000 1.060 286 I HN 0.339 nan 8.210 nan 0.000 0.500 287 T N -2.634 111.770 114.554 -0.250 0.000 3.054 287 T HA 0.283 4.633 4.350 0.000 0.000 0.255 287 T C 1.470 176.001 174.700 -0.282 0.000 1.035 287 T CA -0.274 61.691 62.100 -0.226 0.000 0.941 287 T CB -0.002 68.758 68.868 -0.179 0.000 1.026 287 T HN 0.385 nan 8.240 nan 0.000 0.533 288 R N 1.155 121.428 120.500 -0.378 0.000 2.468 288 R HA 0.351 4.691 4.340 0.000 0.000 0.280 288 R C -0.175 175.812 176.300 -0.521 0.000 0.963 288 R CA 0.005 55.851 56.100 -0.424 0.000 1.083 288 R CB 1.131 31.121 30.300 -0.517 0.000 1.200 288 R HN 0.439 nan 8.270 nan 0.000 0.541 289 V N -1.243 118.347 119.914 -0.540 0.000 2.564 289 V HA 0.433 4.553 4.120 0.000 0.000 0.259 289 V C -2.665 173.064 176.094 -0.610 0.000 0.936 289 V CA -2.236 59.623 62.300 -0.734 0.000 0.867 289 V CB 0.802 32.136 31.823 -0.816 0.000 1.076 289 V HN -0.093 nan 8.190 nan 0.000 0.476 290 P HA 0.528 nan 4.420 nan 0.000 0.275 290 P C -0.772 176.198 177.300 -0.549 0.000 1.266 290 P CA -0.301 62.465 63.100 -0.556 0.000 0.793 290 P CB 1.661 33.008 31.700 -0.587 0.000 1.074 291 L N -0.422 120.665 121.223 -0.227 0.000 2.333 291 L HA 0.612 4.952 4.340 0.000 0.000 0.269 291 L C 1.245 178.196 176.870 0.135 0.000 1.010 291 L CA -0.379 54.441 54.840 -0.034 0.000 0.818 291 L CB 1.125 43.193 42.059 0.015 0.000 1.306 291 L HN 0.464 nan 8.230 nan 0.000 0.430 292 G N 0.086 108.999 108.800 0.188 0.000 2.611 292 G HA2 0.481 4.441 3.960 0.000 0.000 0.273 292 G HA3 0.481 4.441 3.960 0.000 0.000 0.273 292 G C -0.806 174.119 174.900 0.042 0.000 1.305 292 G CA -0.363 44.803 45.100 0.109 0.000 1.010 292 G HN 0.514 nan 8.290 nan 0.000 0.509 293 S N -1.480 114.219 115.700 -0.002 0.000 2.502 293 S HA 0.622 5.092 4.470 0.000 0.000 0.304 293 S C -0.945 173.674 174.600 0.031 0.000 1.097 293 S CA -0.586 57.641 58.200 0.046 0.000 1.045 293 S CB 1.777 65.009 63.200 0.053 0.000 1.019 293 S HN 0.861 nan 8.310 nan 0.000 0.481 294 V N 4.102 124.090 119.914 0.123 0.000 3.048 294 V HA 0.594 4.714 4.120 0.000 0.000 0.303 294 V C -1.982 174.303 176.094 0.318 0.000 1.214 294 V CA -0.814 61.599 62.300 0.190 0.000 0.984 294 V CB 1.829 33.746 31.823 0.157 0.000 1.054 294 V HN 0.905 nan 8.190 nan 0.000 0.430 295 I N 4.956 125.720 120.570 0.324 0.000 2.406 295 I HA 0.520 4.690 4.170 0.000 0.000 0.290 295 I C -0.273 176.085 176.117 0.402 0.000 0.999 295 I CA -0.596 60.904 61.300 0.333 0.000 1.124 295 I CB 1.761 39.891 38.000 0.218 0.000 1.289 295 I HN 0.524 nan 8.210 nan 0.000 0.441 296 K N 5.964 126.623 120.400 0.433 0.000 2.234 296 K HA 0.574 4.894 4.320 0.000 0.000 0.277 296 K C -1.435 175.260 176.600 0.158 0.000 1.038 296 K CA -0.308 56.176 56.287 0.330 0.000 0.888 296 K CB 0.802 33.561 32.500 0.432 0.000 1.091 296 K HN 0.693 nan 8.250 nan 0.000 0.467 297 C N 5.304 124.654 119.300 0.082 0.000 2.408 297 C HA 0.599 5.059 4.460 0.000 0.000 0.321 297 C C -0.805 174.219 174.990 0.057 0.000 1.245 297 C CA -1.099 57.968 59.018 0.082 0.000 1.523 297 C CB 0.006 27.913 27.740 0.278 0.000 2.178 297 C HN 0.736 nan 8.230 nan 0.000 0.488 298 I N 2.850 123.423 120.570 0.006 0.000 2.468 298 I HA 0.382 4.552 4.170 0.000 0.000 0.285 298 I C -0.371 175.769 176.117 0.040 0.000 1.039 298 I CA -0.129 61.148 61.300 -0.038 0.000 1.074 298 I CB 1.498 39.435 38.000 -0.105 0.000 1.228 298 I HN 0.368 nan 8.210 nan 0.000 0.436 299 V N 6.600 126.547 119.914 0.055 0.000 2.370 299 V HA 0.351 4.471 4.120 0.000 0.000 0.279 299 V C -0.474 175.438 176.094 -0.303 0.000 1.029 299 V CA -0.687 61.658 62.300 0.075 0.000 0.870 299 V CB 0.526 32.452 31.823 0.173 0.000 0.984 299 V HN 0.395 nan 8.190 nan 0.000 0.451 300 Y N 4.311 124.577 120.300 -0.057 0.000 2.301 300 Y HA 0.584 5.134 4.550 0.000 0.000 0.325 300 Y C -0.182 175.532 175.900 -0.311 0.000 1.203 300 Y CA -0.150 57.938 58.100 -0.020 0.000 1.255 300 Y CB 0.899 39.448 38.460 0.149 0.000 1.232 300 Y HN 0.526 nan 8.280 nan 0.000 0.501 301 Y N 0.399 120.937 120.300 0.397 0.000 2.553 301 Y HA 0.224 4.774 4.550 -0.000 0.000 0.347 301 Y C 1.028 177.072 175.900 0.239 0.000 1.019 301 Y CA -1.512 56.800 58.100 0.353 0.000 1.032 301 Y CB 1.889 40.660 38.460 0.518 0.000 1.284 301 Y HN 0.537 nan 8.280 nan 0.000 0.466 302 K N 0.635 121.242 120.400 0.344 0.000 2.209 302 K HA -0.039 4.281 4.320 0.000 0.000 0.204 302 K C -0.539 176.130 176.600 0.114 0.000 1.048 302 K CA 1.704 58.092 56.287 0.168 0.000 0.940 302 K CB 0.259 32.828 32.500 0.115 0.000 0.729 302 K HN 0.828 nan 8.250 nan 0.000 0.451 303 E N -0.234 120.060 120.200 0.157 0.000 2.413 303 E HA 0.260 4.610 4.350 0.000 0.000 0.277 303 E C -2.798 173.693 176.600 -0.182 0.000 0.958 303 E CA -2.434 53.966 56.400 -0.000 0.000 0.779 303 E CB 2.618 32.306 29.700 -0.020 0.000 1.278 303 E HN -0.032 nan 8.360 nan 0.000 0.456 304 P HA 0.072 nan 4.420 nan 0.000 0.231 304 P C 0.171 176.563 177.300 -1.513 0.000 1.811 304 P CA -0.047 62.197 63.100 -1.427 0.000 1.051 304 P CB -0.804 30.348 31.700 -0.913 0.000 1.951 305 F N 0.229 119.584 119.950 -0.992 0.000 2.216 305 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 305 F C 1.869 177.511 175.800 -0.264 0.000 1.085 305 F CA -0.011 57.733 58.000 -0.427 0.000 1.326 305 F CB -1.759 37.123 39.000 -0.198 0.000 1.027 305 F HN 0.126 nan 8.300 nan 0.000 0.497 306 W N 1.348 122.349 121.300 -0.499 0.000 2.350 306 W HA -0.038 4.622 4.660 0.000 0.000 0.289 306 W C 2.086 178.551 176.519 -0.091 0.000 1.215 306 W CA 1.032 58.260 57.345 -0.196 0.000 1.236 306 W CB -1.158 28.120 29.460 -0.303 0.000 1.130 306 W HN -0.118 nan 8.180 nan 0.000 0.541 307 R N 1.156 121.447 120.500 -0.347 0.000 2.105 307 R HA -0.131 4.209 4.340 0.000 0.000 0.239 307 R C 2.095 178.316 176.300 -0.131 0.000 1.135 307 R CA 2.044 58.035 56.100 -0.181 0.000 0.967 307 R CB -0.404 29.727 30.300 -0.281 0.000 0.861 307 R HN 0.295 nan 8.270 nan 0.000 0.442 308 K N 0.374 120.691 120.400 -0.138 0.000 2.211 308 K HA -0.108 4.212 4.320 0.000 0.000 0.203 308 K C 1.445 177.979 176.600 -0.111 0.000 1.050 308 K CA 1.020 57.249 56.287 -0.097 0.000 0.945 308 K CB 0.070 32.532 32.500 -0.063 0.000 0.732 308 K HN 0.069 nan 8.250 nan 0.000 0.451 309 K N 0.878 121.187 120.400 -0.151 0.000 2.437 309 K HA -0.041 4.279 4.320 0.000 0.000 0.198 309 K C -0.483 175.805 176.600 -0.521 0.000 1.024 309 K CA 0.155 56.250 56.287 -0.320 0.000 1.148 309 K CB 0.256 32.533 32.500 -0.373 0.000 0.860 309 K HN 0.034 nan 8.250 nan 0.000 0.515 310 D N -0.012 120.218 120.400 -0.283 0.000 2.800 310 D HA -0.219 4.421 4.640 0.000 0.000 0.232 310 D C -1.361 174.856 176.300 -0.138 0.000 1.137 310 D CA 0.863 54.750 54.000 -0.187 0.000 0.718 310 D CB -1.395 39.315 40.800 -0.149 0.000 1.084 310 D HN 0.327 nan 8.370 nan 0.000 0.432 311 Y N -0.904 119.434 120.300 0.063 0.000 2.387 311 Y HA 0.321 4.871 4.550 0.000 0.000 0.336 311 Y C 2.170 178.143 175.900 0.122 0.000 1.067 311 Y CA -0.939 57.196 58.100 0.058 0.000 1.114 311 Y CB 1.180 39.676 38.460 0.061 0.000 1.208 311 Y HN 0.236 nan 8.280 nan 0.000 0.458 312 C N -0.999 118.417 119.300 0.193 0.000 2.467 312 C HA 0.400 4.860 4.460 0.000 0.000 0.279 312 C C 1.765 176.807 174.990 0.087 0.000 1.347 312 C CA 0.735 59.843 59.018 0.149 0.000 1.748 312 C CB -0.933 26.822 27.740 0.026 0.000 1.977 312 C HN 1.221 nan 8.230 nan 0.000 0.501 313 G N -0.581 108.098 108.800 -0.203 0.000 2.296 313 G HA2 -0.102 3.858 3.960 0.000 0.000 0.188 313 G HA3 -0.102 3.858 3.960 0.000 0.000 0.188 313 G C 0.040 174.620 174.900 -0.533 0.000 1.000 313 G CA 0.150 44.843 45.100 -0.679 0.000 0.672 313 G HN 0.548 nan 8.290 nan 0.000 0.483 314 T N 2.747 117.084 114.554 -0.362 0.000 2.752 314 T HA 0.603 4.953 4.350 0.000 0.000 0.295 314 T C 0.331 174.822 174.700 -0.349 0.000 0.923 314 T CA 0.586 62.452 62.100 -0.391 0.000 1.112 314 T CB 0.685 69.385 68.868 -0.281 0.000 0.884 314 T HN 0.290 nan 8.240 nan 0.000 0.525 315 M N 4.120 123.490 119.600 -0.384 0.000 2.321 315 M HA 0.493 4.973 4.480 0.000 0.000 0.315 315 M C -0.715 175.544 176.300 -0.067 0.000 1.052 315 M CA -0.633 54.558 55.300 -0.182 0.000 0.936 315 M CB 2.049 34.544 32.600 -0.176 0.000 1.639 315 M HN 0.405 nan 8.290 nan 0.000 0.433 316 I N 4.657 125.340 120.570 0.188 0.000 2.330 316 I HA 0.406 4.576 4.170 0.000 0.000 0.286 316 I C -0.847 175.523 176.117 0.421 0.000 1.025 316 I CA -0.265 61.254 61.300 0.365 0.000 1.197 316 I CB 0.723 38.961 38.000 0.397 0.000 1.358 316 I HN 0.591 nan 8.210 nan 0.000 0.467 317 I N 5.471 126.245 120.570 0.339 0.000 2.355 317 I HA 0.284 4.454 4.170 0.000 0.000 0.288 317 I C 0.028 176.321 176.117 0.294 0.000 0.999 317 I CA -0.446 61.035 61.300 0.302 0.000 1.163 317 I CB 1.097 39.203 38.000 0.177 0.000 1.316 317 I HN 0.462 nan 8.210 nan 0.000 0.454 318 D N 4.357 124.937 120.400 0.301 0.000 2.354 318 D HA 0.590 5.230 4.640 0.000 0.000 0.247 318 D C 0.316 176.726 176.300 0.184 0.000 1.138 318 D CA 0.730 54.868 54.000 0.231 0.000 0.958 318 D CB 1.826 42.742 40.800 0.193 0.000 1.144 318 D HN 0.797 nan 8.370 nan 0.000 0.458 319 G N 1.231 110.117 108.800 0.144 0.000 2.619 319 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 319 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 319 G C 0.466 175.432 174.900 0.110 0.000 1.256 319 G CA 0.089 45.259 45.100 0.116 0.000 0.826 319 G HN 0.450 nan 8.290 nan 0.000 0.619 320 E N -0.051 120.208 120.200 0.099 0.000 2.208 320 E HA 0.044 4.394 4.350 0.000 0.000 0.193 320 E C 2.115 178.769 176.600 0.089 0.000 0.988 320 E CA 2.222 58.689 56.400 0.111 0.000 0.828 320 E CB 0.001 29.765 29.700 0.107 0.000 0.763 320 E HN 0.612 nan 8.360 nan 0.000 0.478 321 E N 0.327 120.572 120.200 0.075 0.000 2.216 321 E HA 0.136 4.486 4.350 0.000 0.000 0.192 321 E C 0.346 176.970 176.600 0.041 0.000 0.988 321 E CA 0.801 57.234 56.400 0.055 0.000 0.834 321 E CB -0.195 29.536 29.700 0.052 0.000 0.772 321 E HN 0.267 nan 8.360 nan 0.000 0.479 322 A N 2.638 125.490 122.820 0.053 0.000 2.451 322 A HA 0.179 4.499 4.320 0.000 0.000 0.266 322 A C -1.406 176.195 177.584 0.028 0.000 1.119 322 A CA -1.150 50.910 52.037 0.037 0.000 0.786 322 A CB 0.172 19.213 19.000 0.068 0.000 1.061 322 A HN -0.013 nan 8.150 nan 0.000 0.503 323 P HA -0.042 nan 4.420 nan 0.000 0.218 323 P C 0.228 177.556 177.300 0.046 0.000 1.149 323 P CA 0.987 64.089 63.100 0.004 0.000 0.817 323 P CB 0.149 31.836 31.700 -0.022 0.000 0.785 324 V N 0.075 120.031 119.914 0.070 0.000 2.487 324 V HA 0.473 4.593 4.120 0.000 0.000 0.298 324 V C 1.056 177.259 176.094 0.183 0.000 1.028 324 V CA -0.160 62.231 62.300 0.151 0.000 0.860 324 V CB 1.437 33.370 31.823 0.184 0.000 0.991 324 V HN -0.027 nan 8.190 nan 0.000 0.427 325 A N 4.614 127.573 122.820 0.233 0.000 2.169 325 A HA 0.299 4.619 4.320 0.000 0.000 0.210 325 A C 0.167 177.968 177.584 0.362 0.000 1.168 325 A CA 0.578 52.771 52.037 0.261 0.000 0.813 325 A CB 0.179 19.322 19.000 0.237 0.000 0.861 325 A HN 0.737 nan 8.150 nan 0.000 0.481 326 Y N 0.139 120.570 120.300 0.219 0.000 2.441 326 Y HA 0.477 5.027 4.550 0.000 0.000 0.334 326 Y C -0.234 175.751 175.900 0.141 0.000 1.061 326 Y CA -0.406 57.816 58.100 0.205 0.000 1.032 326 Y CB 1.654 40.276 38.460 0.271 0.000 1.266 326 Y HN 0.125 nan 8.280 nan 0.000 0.441 327 T N 3.821 118.118 114.554 -0.428 0.000 2.916 327 T HA 0.854 5.204 4.350 0.000 0.000 0.292 327 T C -1.467 172.871 174.700 -0.602 0.000 1.064 327 T CA -0.843 61.011 62.100 -0.410 0.000 1.011 327 T CB 1.899 70.504 68.868 -0.439 0.000 1.152 327 T HN 0.611 nan 8.240 nan 0.000 0.510 328 L N 0.895 121.894 121.223 -0.374 0.000 2.409 328 L HA 0.460 4.800 4.340 0.000 0.000 0.262 328 L C -0.605 176.112 176.870 -0.255 0.000 0.992 328 L CA -1.234 53.438 54.840 -0.280 0.000 0.817 328 L CB 2.309 44.307 42.059 -0.101 0.000 1.350 328 L HN 0.771 nan 8.230 nan 0.000 0.411 329 D N 1.142 121.416 120.400 -0.210 0.000 2.487 329 D HA -0.077 4.563 4.640 0.000 0.000 0.243 329 D C -0.232 176.099 176.300 0.051 0.000 1.154 329 D CA 0.760 54.711 54.000 -0.082 0.000 0.876 329 D CB 1.145 42.005 40.800 0.099 0.000 1.161 329 D HN 0.520 nan 8.370 nan 0.000 0.478 330 D N 1.664 122.100 120.400 0.060 0.000 2.479 330 D HA 0.059 4.699 4.640 0.000 0.000 0.218 330 D C -0.312 176.078 176.300 0.151 0.000 1.177 330 D CA -0.160 53.899 54.000 0.099 0.000 0.830 330 D CB 0.442 41.240 40.800 -0.004 0.000 1.014 330 D HN 0.204 nan 8.370 nan 0.000 0.503 331 T N 1.731 116.408 114.554 0.205 0.000 2.946 331 T HA 0.019 4.369 4.350 0.000 0.000 0.311 331 T C 0.493 175.268 174.700 0.124 0.000 1.063 331 T CA -0.039 62.174 62.100 0.189 0.000 1.139 331 T CB 0.745 69.730 68.868 0.194 0.000 0.994 331 T HN -0.036 nan 8.240 nan 0.000 0.547 332 K N 3.734 124.158 120.400 0.040 0.000 2.276 332 K HA 0.082 4.402 4.320 0.000 0.000 0.259 332 K C -1.597 174.863 176.600 -0.233 0.000 1.001 332 K CA -1.726 54.468 56.287 -0.156 0.000 0.927 332 K CB -0.096 32.343 32.500 -0.101 0.000 0.969 332 K HN 0.278 nan 8.250 nan 0.000 0.490 333 P HA -0.161 nan 4.420 nan 0.000 0.216 333 P C 0.489 177.722 177.300 -0.112 0.000 1.150 333 P CA 1.409 64.315 63.100 -0.323 0.000 0.843 333 P CB 0.226 31.699 31.700 -0.379 0.000 0.787 334 E N -1.486 118.664 120.200 -0.084 0.000 2.409 334 E HA 0.095 4.445 4.350 0.000 0.000 0.198 334 E C 1.518 178.108 176.600 -0.016 0.000 1.024 334 E CA 1.031 57.415 56.400 -0.026 0.000 0.861 334 E CB -0.883 28.820 29.700 0.005 0.000 0.788 334 E HN 0.274 nan 8.360 nan 0.000 0.521 335 G N 0.760 109.551 108.800 -0.015 0.000 2.157 335 G HA2 -0.277 3.683 3.960 0.000 0.000 0.239 335 G HA3 -0.277 3.683 3.960 0.000 0.000 0.239 335 G C -0.018 174.876 174.900 -0.011 0.000 0.982 335 G CA 0.278 45.368 45.100 -0.017 0.000 0.650 335 G HN 0.371 nan 8.290 nan 0.000 0.527 336 N N -1.039 117.679 118.700 0.030 0.000 2.531 336 N HA 0.557 5.297 4.740 0.000 0.000 0.290 336 N C 0.399 176.022 175.510 0.188 0.000 1.257 336 N CA -1.054 52.006 53.050 0.016 0.000 0.863 336 N CB 0.252 38.678 38.487 -0.101 0.000 1.320 336 N HN 0.607 nan 8.380 nan 0.000 0.538 337 Y N -2.216 118.115 120.300 0.050 0.000 3.168 337 Y HA -0.161 4.389 4.550 0.000 0.000 0.207 337 Y C 0.697 176.730 175.900 0.221 0.000 1.280 337 Y CA 0.320 58.509 58.100 0.148 0.000 1.235 337 Y CB -2.350 36.169 38.460 0.098 0.000 1.370 337 Y HN 0.781 nan 8.280 nan 0.000 0.537 338 A N 0.315 123.292 122.820 0.260 0.000 2.603 338 A HA 0.482 4.802 4.320 0.000 0.000 0.235 338 A C 0.771 178.579 177.584 0.374 0.000 1.035 338 A CA 0.727 52.930 52.037 0.276 0.000 0.755 338 A CB 0.025 19.117 19.000 0.154 0.000 0.954 338 A HN 1.610 nan 8.150 nan 0.000 0.511 339 A N 2.623 125.662 122.820 0.365 0.000 2.594 339 A HA 0.599 4.919 4.320 0.000 0.000 0.296 339 A C -0.945 176.638 177.584 -0.001 0.000 1.061 339 A CA -0.552 51.509 52.037 0.041 0.000 0.689 339 A CB 0.937 19.620 19.000 -0.528 0.000 1.280 339 A HN 0.719 nan 8.150 nan 0.000 0.406 340 I N 2.936 123.407 120.570 -0.164 0.000 2.354 340 I HA 0.377 4.547 4.170 0.000 0.000 0.292 340 I C -0.010 175.962 176.117 -0.241 0.000 0.989 340 I CA -0.406 60.659 61.300 -0.392 0.000 1.188 340 I CB 1.573 39.175 38.000 -0.664 0.000 1.342 340 I HN 0.764 nan 8.210 nan 0.000 0.457 341 M N 5.652 125.119 119.600 -0.221 0.000 2.264 341 M HA 0.633 5.113 4.480 0.000 0.000 0.352 341 M C -0.368 175.819 176.300 -0.189 0.000 1.173 341 M CA -0.158 55.043 55.300 -0.165 0.000 1.075 341 M CB 1.326 33.854 32.600 -0.120 0.000 1.621 341 M HN 0.695 nan 8.290 nan 0.000 0.457 342 G N 4.197 112.917 108.800 -0.134 0.000 2.620 342 G HA2 0.685 4.645 3.960 0.000 0.000 0.301 342 G HA3 0.685 4.645 3.960 0.000 0.000 0.301 342 G C -2.024 172.796 174.900 -0.134 0.000 1.347 342 G CA -0.522 44.542 45.100 -0.059 0.000 0.971 342 G HN 0.643 nan 8.290 nan 0.000 0.488 343 F N 0.613 120.716 119.950 0.255 0.000 2.436 343 F HA 0.511 5.038 4.527 0.000 0.000 0.340 343 F C 0.506 176.421 175.800 0.192 0.000 1.113 343 F CA -0.665 57.482 58.000 0.245 0.000 1.022 343 F CB 2.202 41.371 39.000 0.283 0.000 1.128 343 F HN 0.080 nan 8.300 nan 0.000 0.466 344 I N 5.146 125.923 120.570 0.346 0.000 2.304 344 I HA 0.273 4.443 4.170 0.000 0.000 0.291 344 I C -0.725 175.494 176.117 0.171 0.000 1.018 344 I CA -0.266 61.157 61.300 0.205 0.000 1.260 344 I CB 0.749 38.839 38.000 0.150 0.000 1.390 344 I HN 0.388 nan 8.210 nan 0.000 0.475 345 L N 6.633 127.915 121.223 0.098 0.000 2.325 345 L HA 0.769 5.109 4.340 0.000 0.000 0.278 345 L C 0.855 177.695 176.870 -0.049 0.000 1.023 345 L CA -0.164 54.696 54.840 0.034 0.000 0.811 345 L CB 1.507 43.585 42.059 0.032 0.000 1.249 345 L HN 0.890 nan 8.230 nan 0.000 0.431 346 A N 1.818 124.606 122.820 -0.054 0.000 5.369 346 A HA -0.342 3.978 4.320 0.000 0.000 0.298 346 A C 1.537 179.114 177.584 -0.011 0.000 2.000 346 A CA 1.244 53.250 52.037 -0.051 0.000 0.716 346 A CB -1.576 17.393 19.000 -0.051 0.000 1.248 346 A HN 1.094 nan 8.150 nan 0.000 0.365 347 H N 1.101 120.161 119.070 -0.016 0.000 2.489 347 H HA 0.006 4.562 4.556 0.000 0.000 0.293 347 H C 1.574 176.919 175.328 0.029 0.000 1.066 347 H CA 1.725 57.781 56.048 0.013 0.000 1.305 347 H CB -0.337 29.439 29.762 0.024 0.000 1.386 347 H HN 0.723 nan 8.280 nan 0.000 0.551 348 K N 0.650 120.733 120.400 -0.528 0.000 2.217 348 K HA 0.103 4.423 4.320 0.000 0.000 0.202 348 K C 2.505 179.053 176.600 -0.087 0.000 1.051 348 K CA 0.744 56.841 56.287 -0.318 0.000 0.952 348 K CB 0.108 32.425 32.500 -0.305 0.000 0.736 348 K HN 0.309 nan 8.250 nan 0.000 0.453 349 A N 1.934 124.731 122.820 -0.037 0.000 1.930 349 A HA -0.160 4.160 4.320 0.000 0.000 0.217 349 A C 2.051 179.659 177.584 0.040 0.000 1.175 349 A CA 1.144 53.202 52.037 0.035 0.000 0.627 349 A CB -0.274 18.766 19.000 0.067 0.000 0.815 349 A HN 0.209 nan 8.150 nan 0.000 0.443 350 R N -0.477 120.046 120.500 0.038 0.000 2.073 350 R HA -0.036 4.304 4.340 0.000 0.000 0.229 350 R C 2.321 178.650 176.300 0.048 0.000 1.120 350 R CA 1.369 57.500 56.100 0.052 0.000 0.967 350 R CB -0.297 30.044 30.300 0.068 0.000 0.862 350 R HN 0.499 nan 8.270 nan 0.000 0.436 351 K N 1.281 121.710 120.400 0.049 0.000 1.985 351 K HA -0.082 4.238 4.320 0.000 0.000 0.210 351 K C 1.967 178.587 176.600 0.033 0.000 1.047 351 K CA 1.302 57.617 56.287 0.047 0.000 0.932 351 K CB -0.080 32.455 32.500 0.058 0.000 0.716 351 K HN 0.095 nan 8.250 nan 0.000 0.439 352 L N 0.451 121.688 121.223 0.024 0.000 2.456 352 L HA -0.040 4.300 4.340 0.000 0.000 0.224 352 L C 2.241 179.133 176.870 0.037 0.000 1.148 352 L CA 0.419 55.275 54.840 0.027 0.000 0.825 352 L CB -0.386 41.687 42.059 0.023 0.000 0.937 352 L HN 0.244 nan 8.230 nan 0.000 0.450 353 A N 0.258 123.102 122.820 0.040 0.000 2.121 353 A HA -0.125 4.195 4.320 0.000 0.000 0.218 353 A C 2.385 179.988 177.584 0.033 0.000 1.154 353 A CA 0.890 52.952 52.037 0.042 0.000 0.679 353 A CB -0.310 18.715 19.000 0.041 0.000 0.795 353 A HN 0.338 nan 8.150 nan 0.000 0.458 354 R N -0.457 120.061 120.500 0.029 0.000 2.115 354 R HA 0.083 4.423 4.340 0.000 0.000 0.226 354 R C 0.419 176.732 176.300 0.021 0.000 1.100 354 R CA 0.267 56.381 56.100 0.023 0.000 0.980 354 R CB -0.555 29.758 30.300 0.022 0.000 0.875 354 R HN 0.451 nan 8.270 nan 0.000 0.445 355 L N 1.012 122.249 121.223 0.023 0.000 2.468 355 L HA 0.047 4.387 4.340 0.000 0.000 0.253 355 L C 1.168 178.053 176.870 0.025 0.000 1.237 355 L CA -0.185 54.667 54.840 0.019 0.000 0.823 355 L CB 0.049 42.118 42.059 0.015 0.000 1.124 355 L HN 0.139 nan 8.230 nan 0.000 0.504 356 T N -2.887 111.680 114.554 0.022 0.000 2.849 356 T HA 0.137 4.487 4.350 0.000 0.000 0.284 356 T C 0.907 175.634 174.700 0.046 0.000 1.004 356 T CA -0.681 61.437 62.100 0.029 0.000 1.021 356 T CB 1.311 70.191 68.868 0.020 0.000 1.013 356 T HN 0.668 nan 8.240 nan 0.000 0.527 357 K N 0.433 120.875 120.400 0.070 0.000 2.059 357 K HA -0.256 4.064 4.320 0.000 0.000 0.212 357 K C 1.931 178.580 176.600 0.081 0.000 1.050 357 K CA 2.258 58.626 56.287 0.136 0.000 0.927 357 K CB -0.235 32.347 32.500 0.137 0.000 0.714 357 K HN 0.716 nan 8.250 nan 0.000 0.447 358 E N 0.629 120.844 120.200 0.025 0.000 2.047 358 E HA -0.155 4.195 4.350 0.000 0.000 0.191 358 E C 1.850 178.409 176.600 -0.068 0.000 0.987 358 E CA 1.553 57.933 56.400 -0.033 0.000 0.799 358 E CB -0.049 29.643 29.700 -0.013 0.000 0.752 358 E HN 0.408 nan 8.360 nan 0.000 0.449 359 E N 0.232 120.410 120.200 -0.035 0.000 2.160 359 E HA -0.150 4.200 4.350 0.000 0.000 0.195 359 E C 2.091 178.652 176.600 -0.066 0.000 0.991 359 E CA 0.787 57.162 56.400 -0.042 0.000 0.810 359 E CB -0.029 29.661 29.700 -0.017 0.000 0.742 359 E HN 0.113 nan 8.360 nan 0.000 0.466 360 R N 0.069 120.534 120.500 -0.059 0.000 2.090 360 R HA -0.083 4.257 4.340 0.000 0.000 0.228 360 R C 2.350 178.512 176.300 -0.231 0.000 1.110 360 R CA 0.545 56.603 56.100 -0.070 0.000 0.973 360 R CB -0.247 30.082 30.300 0.048 0.000 0.869 360 R HN 0.118 nan 8.270 nan 0.000 0.440 361 L N 1.889 122.861 121.223 -0.419 0.000 2.012 361 L HA -0.231 4.109 4.340 0.000 0.000 0.210 361 L C 2.169 178.834 176.870 -0.342 0.000 1.073 361 L CA 1.931 56.371 54.840 -0.666 0.000 0.748 361 L CB -0.532 41.136 42.059 -0.652 0.000 0.891 361 L HN -0.000 nan 8.230 nan 0.000 0.431 362 K N -0.538 119.734 120.400 -0.213 0.000 2.002 362 K HA -0.204 4.116 4.320 0.000 0.000 0.209 362 K C 2.151 178.668 176.600 -0.138 0.000 1.048 362 K CA 1.646 57.852 56.287 -0.136 0.000 0.930 362 K CB -0.149 32.298 32.500 -0.088 0.000 0.714 362 K HN 0.277 nan 8.250 nan 0.000 0.438 363 K N 0.189 120.508 120.400 -0.134 0.000 2.160 363 K HA -0.183 4.137 4.320 0.000 0.000 0.206 363 K C 2.041 178.517 176.600 -0.207 0.000 1.047 363 K CA 1.190 57.399 56.287 -0.129 0.000 0.930 363 K CB -0.102 32.342 32.500 -0.093 0.000 0.720 363 K HN 0.107 nan 8.250 nan 0.000 0.450 364 L N 0.344 121.397 121.223 -0.283 0.000 2.068 364 L HA -0.113 4.227 4.340 0.000 0.000 0.204 364 L C 2.398 178.881 176.870 -0.645 0.000 1.076 364 L CA 1.327 55.855 54.840 -0.519 0.000 0.753 364 L CB -0.619 41.188 42.059 -0.419 0.000 0.910 364 L HN 0.180 nan 8.230 nan 0.000 0.439 365 C N -0.450 118.686 119.300 -0.274 0.000 2.413 365 C HA -0.183 4.277 4.460 0.000 0.000 0.276 365 C C 2.640 177.609 174.990 -0.036 0.000 1.248 365 C CA 0.746 59.745 59.018 -0.033 0.000 1.742 365 C CB -0.776 26.987 27.740 0.038 0.000 2.017 365 C HN 0.544 nan 8.230 nan 0.000 0.481 366 E N 0.257 120.403 120.200 -0.090 0.000 2.051 366 E HA -0.227 4.123 4.350 0.000 0.000 0.192 366 E C 2.014 178.569 176.600 -0.075 0.000 0.991 366 E CA 1.071 57.436 56.400 -0.059 0.000 0.799 366 E CB -0.321 29.346 29.700 -0.054 0.000 0.748 366 E HN 0.505 nan 8.360 nan 0.000 0.449 367 L N 0.505 121.630 121.223 -0.163 0.000 1.989 367 L HA -0.237 4.103 4.340 0.000 0.000 0.211 367 L C 2.033 178.872 176.870 -0.051 0.000 1.071 367 L CA 1.802 56.544 54.840 -0.163 0.000 0.749 367 L CB -0.633 41.276 42.059 -0.250 0.000 0.890 367 L HN 0.228 nan 8.230 nan 0.000 0.431 368 Y N -0.879 119.405 120.300 -0.027 0.000 2.224 368 Y HA -0.228 4.322 4.550 -0.000 0.000 0.289 368 Y C 2.513 178.424 175.900 0.019 0.000 1.146 368 Y CA 0.337 58.425 58.100 -0.020 0.000 1.182 368 Y CB -0.534 37.950 38.460 0.040 0.000 0.983 368 Y HN 0.386 nan 8.280 nan 0.000 0.524 369 A N 0.560 123.491 122.820 0.184 0.000 1.877 369 A HA -0.236 4.084 4.320 0.000 0.000 0.216 369 A C 2.145 179.780 177.584 0.086 0.000 1.186 369 A CA 1.909 54.021 52.037 0.125 0.000 0.620 369 A CB -0.601 18.442 19.000 0.073 0.000 0.822 369 A HN 0.362 nan 8.150 nan 0.000 0.443 370 K N -0.601 119.824 120.400 0.041 0.000 2.002 370 K HA -0.101 4.219 4.320 0.000 0.000 0.209 370 K C 1.900 178.501 176.600 0.001 0.000 1.048 370 K CA 1.727 58.026 56.287 0.020 0.000 0.930 370 K CB -0.281 32.207 32.500 -0.020 0.000 0.714 370 K HN 0.271 nan 8.250 nan 0.000 0.438 371 V N 1.303 121.168 119.914 -0.081 0.000 2.453 371 V HA -0.182 3.938 4.120 0.000 0.000 0.247 371 V C 1.991 178.053 176.094 -0.055 0.000 1.048 371 V CA 1.403 63.614 62.300 -0.148 0.000 1.049 371 V CB -0.244 31.427 31.823 -0.254 0.000 0.672 371 V HN 0.288 nan 8.190 nan 0.000 0.457 372 L N 0.432 121.656 121.223 0.003 0.000 2.558 372 L HA 0.315 4.655 4.340 0.000 0.000 0.225 372 L C 1.633 178.643 176.870 0.233 0.000 1.128 372 L CA 0.732 55.605 54.840 0.056 0.000 0.868 372 L CB -0.630 41.542 42.059 0.190 0.000 1.006 372 L HN 0.513 nan 8.230 nan 0.000 0.454 373 G N 0.886 109.783 108.800 0.162 0.000 2.323 373 G HA2 -0.263 3.697 3.960 0.000 0.000 0.292 373 G HA3 -0.263 3.697 3.960 0.000 0.000 0.292 373 G C -0.067 174.931 174.900 0.164 0.000 1.040 373 G CA 0.491 45.686 45.100 0.158 0.000 0.942 373 G HN 0.397 nan 8.290 nan 0.000 0.506 374 S N -0.992 114.804 115.700 0.160 0.000 2.571 374 S HA 0.574 5.044 4.470 0.000 0.000 0.284 374 S C 1.115 175.701 174.600 -0.024 0.000 1.128 374 S CA -0.793 57.456 58.200 0.082 0.000 0.970 374 S CB 2.040 65.316 63.200 0.127 0.000 1.039 374 S HN 0.179 nan 8.310 nan 0.000 0.485 375 L N 1.353 122.535 121.223 -0.069 0.000 2.191 375 L HA -0.111 4.229 4.340 0.000 0.000 0.212 375 L C 2.308 179.069 176.870 -0.180 0.000 1.103 375 L CA 1.258 56.047 54.840 -0.085 0.000 0.769 375 L CB -0.464 41.558 42.059 -0.062 0.000 0.908 375 L HN 0.725 nan 8.230 nan 0.000 0.438 376 E N 0.297 120.254 120.200 -0.405 0.000 2.267 376 E HA -0.201 4.149 4.350 0.000 0.000 0.197 376 E C 2.215 178.443 176.600 -0.620 0.000 0.998 376 E CA 0.971 56.967 56.400 -0.672 0.000 0.830 376 E CB -0.077 28.828 29.700 -1.325 0.000 0.751 376 E HN 0.505 nan 8.360 nan 0.000 0.491 377 A N 0.331 122.896 122.820 -0.425 0.000 2.121 377 A HA -0.079 4.241 4.320 0.000 0.000 0.218 377 A C 1.844 179.598 177.584 0.282 0.000 1.154 377 A CA 0.671 52.748 52.037 0.067 0.000 0.679 377 A CB -0.243 18.920 19.000 0.273 0.000 0.795 377 A HN 0.183 nan 8.150 nan 0.000 0.458 378 L N -1.256 120.038 121.223 0.119 0.000 2.591 378 L HA 0.102 4.442 4.340 0.000 0.000 0.228 378 L C 0.686 177.638 176.870 0.136 0.000 1.133 378 L CA 0.344 55.251 54.840 0.112 0.000 0.880 378 L CB -0.039 42.045 42.059 0.041 0.000 1.033 378 L HN 0.216 nan 8.230 nan 0.000 0.450 379 E N 1.029 121.352 120.200 0.205 0.000 3.012 379 E HA 0.173 4.523 4.350 0.000 0.000 0.228 379 E C -2.205 174.564 176.600 0.282 0.000 1.184 379 E CA -1.852 54.661 56.400 0.188 0.000 1.407 379 E CB 0.477 30.238 29.700 0.102 0.000 1.438 379 E HN 0.093 nan 8.360 nan 0.000 0.435 380 P HA -0.036 nan 4.420 nan 0.000 0.271 380 P C 0.748 178.076 177.300 0.047 0.000 1.218 380 P CA -0.033 63.038 63.100 -0.048 0.000 0.780 380 P CB 1.710 33.351 31.700 -0.097 0.000 0.901 381 V N -1.465 118.494 119.914 0.074 0.000 3.431 381 V HA 0.302 4.422 4.120 0.000 0.000 0.253 381 V C 0.521 176.744 176.094 0.214 0.000 1.184 381 V CA 0.829 63.212 62.300 0.138 0.000 1.104 381 V CB -1.145 30.764 31.823 0.142 0.000 0.799 381 V HN 0.670 nan 8.190 nan 0.000 0.462 382 H N -1.251 117.895 119.070 0.126 0.000 3.003 382 H HA 0.631 5.187 4.556 0.000 0.000 0.327 382 H C -2.289 173.258 175.328 0.366 0.000 1.353 382 H CA -0.681 55.461 56.048 0.158 0.000 1.142 382 H CB 2.051 31.800 29.762 -0.022 0.000 1.864 382 H HN 0.152 nan 8.280 nan 0.000 0.529 383 Y N 1.607 121.680 120.300 -0.378 0.000 2.479 383 Y HA 0.489 5.039 4.550 -0.000 0.000 0.338 383 Y C -1.646 174.149 175.900 -0.174 0.000 1.055 383 Y CA -0.650 57.384 58.100 -0.110 0.000 1.023 383 Y CB 1.756 40.158 38.460 -0.095 0.000 1.287 383 Y HN 0.620 nan 8.280 nan 0.000 0.447 384 E N 4.532 124.458 120.200 -0.457 0.000 2.314 384 E HA 0.379 4.729 4.350 0.000 0.000 0.272 384 E C -1.542 174.690 176.600 -0.614 0.000 0.884 384 E CA -0.818 55.332 56.400 -0.417 0.000 0.753 384 E CB 2.806 32.502 29.700 -0.006 0.000 1.213 384 E HN 0.762 nan 8.360 nan 0.000 0.432 385 E N 0.864 120.811 120.200 -0.420 0.000 2.366 385 E HA 0.627 4.977 4.350 0.000 0.000 0.278 385 E C -1.224 175.340 176.600 -0.059 0.000 0.923 385 E CA -1.032 55.227 56.400 -0.236 0.000 0.761 385 E CB 2.717 32.268 29.700 -0.248 0.000 1.231 385 E HN 0.161 nan 8.360 nan 0.000 0.443 386 K N 1.717 122.140 120.400 0.038 0.000 2.507 386 K HA 0.275 4.595 4.320 0.000 0.000 0.251 386 K C -1.361 175.239 176.600 -0.000 0.000 0.943 386 K CA -0.835 55.421 56.287 -0.051 0.000 0.794 386 K CB 1.461 33.861 32.500 -0.166 0.000 1.188 386 K HN 0.536 nan 8.250 nan 0.000 0.428 387 N N 4.104 122.755 118.700 -0.081 0.000 2.469 387 N HA 0.072 4.812 4.740 0.000 0.000 0.239 387 N C -0.175 175.306 175.510 -0.048 0.000 1.053 387 N CA -0.285 52.777 53.050 0.020 0.000 0.937 387 N CB 0.299 38.800 38.487 0.023 0.000 1.163 387 N HN 0.631 nan 8.380 nan 0.000 0.509 388 W N 2.151 123.512 121.300 0.102 0.000 2.699 388 W HA 0.030 4.690 4.660 -0.000 0.000 0.249 388 W C 1.947 178.502 176.519 0.061 0.000 1.280 388 W CA -0.073 57.326 57.345 0.090 0.000 1.345 388 W CB -0.231 29.303 29.460 0.124 0.000 1.128 388 W HN 0.585 nan 8.180 nan 0.000 0.642 389 C N 0.396 119.813 119.300 0.194 0.000 2.432 389 C HA -0.143 4.317 4.460 0.000 0.000 0.282 389 C C 2.178 177.205 174.990 0.061 0.000 1.388 389 C CA 1.289 60.380 59.018 0.121 0.000 1.777 389 C CB -1.425 26.371 27.740 0.093 0.000 1.882 389 C HN 0.477 nan 8.230 nan 0.000 0.520 390 E N 0.657 120.871 120.200 0.023 0.000 2.479 390 E HA 0.038 4.388 4.350 0.000 0.000 0.193 390 E C -0.081 176.499 176.600 -0.034 0.000 1.049 390 E CA 0.199 56.589 56.400 -0.017 0.000 0.870 390 E CB -0.153 29.523 29.700 -0.040 0.000 0.944 390 E HN 0.497 nan 8.360 nan 0.000 0.492 391 E N 2.303 122.499 120.200 -0.007 0.000 2.070 391 E HA -0.019 4.331 4.350 0.000 0.000 0.282 391 E C 0.548 177.139 176.600 -0.015 0.000 1.104 391 E CA 0.025 56.427 56.400 0.004 0.000 0.876 391 E CB 1.388 31.145 29.700 0.094 0.000 1.055 391 E HN 0.343 nan 8.360 nan 0.000 0.401 392 Q N 2.884 122.616 119.800 -0.114 0.000 2.152 392 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 392 Q C 0.319 176.078 176.000 -0.402 0.000 0.985 392 Q CA 1.699 57.314 55.803 -0.313 0.000 0.863 392 Q CB 0.079 28.523 28.738 -0.490 0.000 0.904 392 Q HN 0.584 nan 8.270 nan 0.000 0.422 393 Y N -1.026 119.304 120.300 0.051 0.000 2.524 393 Y HA 0.263 4.813 4.550 0.000 0.000 0.266 393 Y C 1.516 177.480 175.900 0.105 0.000 1.180 393 Y CA -0.215 57.924 58.100 0.065 0.000 1.244 393 Y CB 0.893 39.382 38.460 0.049 0.000 1.125 393 Y HN 0.067 nan 8.280 nan 0.000 0.524 394 S N -1.610 114.217 115.700 0.211 0.000 2.807 394 S HA 0.294 4.764 4.470 0.000 0.000 0.247 394 S C 1.897 176.584 174.600 0.145 0.000 1.078 394 S CA 0.583 58.918 58.200 0.224 0.000 0.867 394 S CB 0.521 63.941 63.200 0.365 0.000 0.797 394 S HN 0.537 nan 8.310 nan 0.000 0.515 395 G N 1.036 109.901 108.800 0.109 0.000 2.253 395 G HA2 0.053 4.013 3.960 0.000 0.000 0.251 395 G HA3 0.053 4.013 3.960 0.000 0.000 0.251 395 G C 0.497 175.451 174.900 0.090 0.000 0.998 395 G CA 0.094 45.230 45.100 0.060 0.000 0.621 395 G HN 1.376 nan 8.290 nan 0.000 0.524 396 G N -2.354 106.543 108.800 0.161 0.000 2.352 396 G HA2 0.521 4.481 3.960 0.000 0.000 0.283 396 G HA3 0.521 4.481 3.960 0.000 0.000 0.283 396 G C -0.985 174.024 174.900 0.180 0.000 1.308 396 G CA 0.328 45.537 45.100 0.181 0.000 0.892 396 G HN 1.464 nan 8.290 nan 0.000 0.504 397 C N -1.740 117.631 119.300 0.119 0.000 3.311 397 C HA 0.610 5.070 4.460 0.000 0.000 0.325 397 C C 0.782 175.723 174.990 -0.083 0.000 1.352 397 C CA -0.627 58.411 59.018 0.034 0.000 1.308 397 C CB 0.785 28.475 27.740 -0.083 0.000 1.619 397 C HN 0.711 nan 8.230 nan 0.000 0.469 398 Y N 0.572 120.818 120.300 -0.089 0.000 2.263 398 Y HA 0.198 4.748 4.550 0.000 0.000 0.292 398 Y C 1.644 177.519 175.900 -0.041 0.000 1.130 398 Y CA 1.365 59.380 58.100 -0.140 0.000 1.179 398 Y CB -0.569 37.778 38.460 -0.189 0.000 0.998 398 Y HN 0.704 nan 8.280 nan 0.000 0.532 399 T N -1.961 112.687 114.554 0.158 0.000 2.647 399 T HA 0.365 4.715 4.350 0.000 0.000 0.295 399 T C -0.736 174.071 174.700 0.179 0.000 1.126 399 T CA -0.656 61.570 62.100 0.210 0.000 1.040 399 T CB 1.063 70.144 68.868 0.355 0.000 1.472 399 T HN -0.152 nan 8.240 nan 0.000 0.500 400 T N 2.454 117.133 114.554 0.208 0.000 2.832 400 T HA 0.489 4.839 4.350 0.000 0.000 0.296 400 T C -0.849 173.902 174.700 0.086 0.000 0.968 400 T CA 0.009 62.145 62.100 0.060 0.000 1.107 400 T CB -0.390 68.509 68.868 0.053 0.000 0.916 400 T HN 0.467 nan 8.240 nan 0.000 0.517 401 Y N 1.069 121.173 120.300 -0.328 0.000 2.496 401 Y HA 0.791 5.341 4.550 -0.000 0.000 0.331 401 Y C -1.185 174.157 175.900 -0.930 0.000 1.140 401 Y CA -2.133 55.406 58.100 -0.935 0.000 1.166 401 Y CB 0.706 38.731 38.460 -0.724 0.000 1.249 401 Y HN 0.389 nan 8.280 nan 0.000 0.479 402 F N 3.166 122.283 119.950 -1.387 0.000 2.388 402 F HA 0.564 5.091 4.527 -0.000 0.000 0.358 402 F C -2.299 173.368 175.800 -0.221 0.000 1.122 402 F CA -2.777 54.815 58.000 -0.680 0.000 1.056 402 F CB 1.462 40.122 39.000 -0.566 0.000 1.155 402 F HN 0.367 nan 8.300 nan 0.000 0.461 403 P HA 0.140 nan 4.420 nan 0.000 0.274 403 P C -2.565 174.819 177.300 0.140 0.000 1.256 403 P CA -1.257 61.903 63.100 0.100 0.000 0.795 403 P CB -0.111 31.600 31.700 0.019 0.000 1.038 404 P HA -0.043 nan 4.420 nan 0.000 0.262 404 P C 0.895 178.275 177.300 0.134 0.000 1.182 404 P CA 1.325 64.513 63.100 0.147 0.000 0.761 404 P CB -0.165 31.606 31.700 0.118 0.000 0.795 405 G N 3.105 112.001 108.800 0.160 0.000 2.199 405 G HA2 -0.278 3.682 3.960 0.000 0.000 0.254 405 G HA3 -0.278 3.682 3.960 0.000 0.000 0.254 405 G C 0.815 175.825 174.900 0.184 0.000 0.982 405 G CA 0.087 45.275 45.100 0.147 0.000 0.632 405 G HN 0.425 nan 8.290 nan 0.000 0.529 406 I N 0.143 120.845 120.570 0.221 0.000 2.296 406 I HA 0.113 4.283 4.170 0.000 0.000 0.242 406 I C 2.694 179.045 176.117 0.390 0.000 1.087 406 I CA 1.328 62.805 61.300 0.295 0.000 1.393 406 I CB -1.342 36.750 38.000 0.153 0.000 1.093 406 I HN 0.261 nan 8.210 nan 0.000 0.421 407 L N 1.120 122.586 121.223 0.405 0.000 2.051 407 L HA -0.261 4.079 4.340 0.000 0.000 0.214 407 L C 2.607 179.582 176.870 0.175 0.000 1.076 407 L CA 2.673 57.640 54.840 0.212 0.000 0.758 407 L CB -0.947 41.132 42.059 0.033 0.000 0.890 407 L HN 0.469 nan 8.230 nan 0.000 0.433 408 T N -4.806 109.848 114.554 0.167 0.000 2.942 408 T HA -0.095 4.255 4.350 0.000 0.000 0.265 408 T C 1.789 176.461 174.700 -0.047 0.000 1.062 408 T CA 0.663 62.829 62.100 0.110 0.000 1.139 408 T CB -0.243 68.691 68.868 0.110 0.000 0.883 408 T HN 0.332 nan 8.240 nan 0.000 0.468 409 Q N 0.016 119.793 119.800 -0.038 0.000 2.163 409 Q HA 0.118 4.458 4.340 0.000 0.000 0.198 409 Q C 1.037 176.720 176.000 -0.528 0.000 0.954 409 Q CA 1.203 56.843 55.803 -0.272 0.000 0.851 409 Q CB -0.023 28.570 28.738 -0.242 0.000 0.928 409 Q HN 0.756 nan 8.270 nan 0.000 0.459 410 Y N -1.663 118.567 120.300 -0.116 0.000 2.471 410 Y HA 0.279 4.829 4.550 0.000 0.000 0.249 410 Y C 2.003 177.766 175.900 -0.228 0.000 1.116 410 Y CA 0.073 58.081 58.100 -0.153 0.000 1.240 410 Y CB 0.075 38.483 38.460 -0.087 0.000 1.251 410 Y HN 0.076 nan 8.280 nan 0.000 0.527 411 G N 1.816 110.515 108.800 -0.167 0.000 2.469 411 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 411 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 411 G C 1.724 176.053 174.900 -0.951 0.000 1.150 411 G CA 1.264 46.147 45.100 -0.363 0.000 0.763 411 G HN 0.447 nan 8.290 nan 0.000 0.561 412 R N 0.058 119.678 120.500 -1.468 0.000 2.293 412 R HA 0.068 4.408 4.340 0.000 0.000 0.219 412 R C 1.708 177.761 176.300 -0.412 0.000 1.091 412 R CA 1.076 56.507 56.100 -1.116 0.000 1.004 412 R CB -0.544 29.194 30.300 -0.937 0.000 0.865 412 R HN 0.288 nan 8.270 nan 0.000 0.469 413 V N 1.253 120.980 119.914 -0.311 0.000 3.354 413 V HA -0.015 4.105 4.120 0.000 0.000 0.258 413 V C 2.145 178.131 176.094 -0.180 0.000 1.159 413 V CA 0.562 62.748 62.300 -0.189 0.000 1.125 413 V CB -0.108 31.630 31.823 -0.142 0.000 0.774 413 V HN 0.223 nan 8.190 nan 0.000 0.464 414 L N 0.722 121.877 121.223 -0.114 0.000 2.042 414 L HA -0.148 4.192 4.340 0.000 0.000 0.210 414 L C 2.346 179.142 176.870 -0.123 0.000 1.076 414 L CA 1.997 56.779 54.840 -0.097 0.000 0.749 414 L CB -0.297 41.817 42.059 0.091 0.000 0.893 414 L HN 0.431 nan 8.230 nan 0.000 0.432 415 R N -0.422 120.105 120.500 0.046 0.000 2.543 415 R HA 0.139 4.479 4.340 0.000 0.000 0.323 415 R C 0.503 176.928 176.300 0.207 0.000 1.002 415 R CA -0.273 55.941 56.100 0.191 0.000 1.106 415 R CB -0.040 30.445 30.300 0.308 0.000 1.280 415 R HN 0.168 nan 8.270 nan 0.000 0.549 416 Q N 2.839 122.686 119.800 0.078 0.000 2.262 416 Q HA 0.193 4.533 4.340 0.000 0.000 0.272 416 Q C -2.067 174.006 176.000 0.121 0.000 1.076 416 Q CA -2.004 53.843 55.803 0.074 0.000 0.905 416 Q CB 0.818 29.549 28.738 -0.011 0.000 1.182 416 Q HN 0.056 nan 8.270 nan 0.000 0.390 417 P HA -0.066 nan 4.420 nan 0.000 0.266 417 P C -1.271 176.010 177.300 -0.031 0.000 1.195 417 P CA -0.018 63.005 63.100 -0.129 0.000 0.768 417 P CB 0.656 32.007 31.700 -0.581 0.000 0.838 418 V N 3.468 123.396 119.914 0.024 0.000 2.275 418 V HA 0.148 4.268 4.120 0.000 0.000 0.272 418 V C 0.719 176.788 176.094 -0.041 0.000 1.028 418 V CA 0.180 62.493 62.300 0.022 0.000 0.810 418 V CB 0.095 31.969 31.823 0.086 0.000 1.043 418 V HN 0.797 nan 8.190 nan 0.000 0.453 419 D N 4.241 124.616 120.400 -0.041 0.000 4.508 419 D HA -0.307 4.333 4.640 0.000 0.000 0.178 419 D C 1.345 177.652 176.300 0.011 0.000 0.644 419 D CA 2.484 56.481 54.000 -0.005 0.000 1.244 419 D CB -0.335 40.474 40.800 0.015 0.000 0.727 419 D HN 0.566 nan 8.370 nan 0.000 0.495 420 R N -0.198 120.337 120.500 0.059 0.000 2.472 420 R HA 0.454 4.794 4.340 0.000 0.000 0.279 420 R C -0.211 176.222 176.300 0.222 0.000 0.953 420 R CA -0.170 56.072 56.100 0.237 0.000 1.088 420 R CB 0.538 30.912 30.300 0.124 0.000 1.197 420 R HN 0.298 nan 8.270 nan 0.000 0.536 421 I N 1.244 121.798 120.570 -0.027 0.000 2.342 421 I HA 0.219 4.389 4.170 0.000 0.000 0.291 421 I C -0.542 175.286 176.117 -0.482 0.000 1.010 421 I CA -0.544 60.655 61.300 -0.168 0.000 1.308 421 I CB 0.622 38.496 38.000 -0.209 0.000 1.400 421 I HN -0.084 nan 8.210 nan 0.000 0.488 422 Y N 5.189 125.257 120.300 -0.387 0.000 2.549 422 Y HA 0.555 5.105 4.550 0.000 0.000 0.339 422 Y C -0.579 175.005 175.900 -0.525 0.000 1.053 422 Y CA -0.682 57.239 58.100 -0.298 0.000 1.105 422 Y CB 1.764 40.153 38.460 -0.119 0.000 1.258 422 Y HN 0.277 nan 8.280 nan 0.000 0.478 423 F N 1.184 121.244 119.950 0.184 0.000 2.460 423 F HA 0.724 5.251 4.527 0.000 0.000 0.341 423 F C 0.328 176.208 175.800 0.133 0.000 1.130 423 F CA -0.541 57.541 58.000 0.137 0.000 0.962 423 F CB 1.237 40.302 39.000 0.109 0.000 1.171 423 F HN 0.584 nan 8.300 nan 0.000 0.436 424 A N 2.153 125.125 122.820 0.253 0.000 3.521 424 A HA 0.969 5.289 4.320 0.000 0.000 0.181 424 A C 0.279 178.001 177.584 0.229 0.000 1.386 424 A CA -0.492 51.665 52.037 0.199 0.000 0.873 424 A CB 0.192 19.262 19.000 0.116 0.000 1.634 424 A HN 1.542 nan 8.150 nan 0.000 0.551 425 G N -2.328 106.585 108.800 0.187 0.000 2.777 425 G HA2 0.106 4.066 3.960 0.000 0.000 0.686 425 G HA3 0.106 4.066 3.960 0.000 0.000 0.686 425 G C 0.450 175.486 174.900 0.226 0.000 1.177 425 G CA 0.666 45.884 45.100 0.197 0.000 0.775 425 G HN 1.658 nan 8.290 nan 0.000 0.613 426 T N 0.249 114.937 114.554 0.223 0.000 2.849 426 T HA -0.114 4.236 4.350 0.000 0.000 0.270 426 T C 2.115 177.017 174.700 0.338 0.000 1.066 426 T CA 2.699 64.957 62.100 0.262 0.000 1.130 426 T CB -0.186 68.830 68.868 0.247 0.000 0.864 426 T HN 0.638 nan 8.240 nan 0.000 0.481 427 E N 0.607 121.016 120.200 0.348 0.000 2.209 427 E HA -0.071 4.279 4.350 0.000 0.000 0.196 427 E C 2.257 179.123 176.600 0.442 0.000 0.993 427 E CA 1.594 58.256 56.400 0.437 0.000 0.819 427 E CB -0.296 29.631 29.700 0.379 0.000 0.745 427 E HN 0.725 nan 8.360 nan 0.000 0.477 428 T N -2.381 112.393 114.554 0.368 0.000 3.107 428 T HA 0.435 4.785 4.350 0.000 0.000 0.249 428 T C 0.776 175.720 174.700 0.406 0.000 1.096 428 T CA 0.026 62.347 62.100 0.368 0.000 1.012 428 T CB 0.082 69.145 68.868 0.325 0.000 0.977 428 T HN 0.107 nan 8.240 nan 0.000 0.527 429 A N 1.682 124.742 122.820 0.401 0.000 2.366 429 A HA 0.529 4.849 4.320 0.000 0.000 0.249 429 A C 1.502 179.349 177.584 0.438 0.000 1.084 429 A CA 0.098 52.374 52.037 0.399 0.000 0.794 429 A CB 0.331 19.527 19.000 0.328 0.000 1.034 429 A HN 0.517 nan 8.150 nan 0.000 0.491 430 T N -2.257 112.539 114.554 0.402 0.000 3.054 430 T HA 0.220 4.570 4.350 0.000 0.000 0.255 430 T C 0.229 175.047 174.700 0.197 0.000 1.035 430 T CA 0.599 62.883 62.100 0.306 0.000 0.941 430 T CB -0.406 68.569 68.868 0.179 0.000 1.026 430 T HN 0.740 nan 8.240 nan 0.000 0.533 431 H N -1.048 118.062 119.070 0.066 0.000 3.181 431 H HA 0.241 4.797 4.556 0.000 0.000 0.331 431 H C -1.010 174.365 175.328 0.078 0.000 0.988 431 H CA -0.975 55.047 56.048 -0.044 0.000 1.449 431 H CB 0.725 30.519 29.762 0.054 0.000 1.749 431 H HN 0.336 nan 8.280 nan 0.000 0.501 432 W N 1.971 123.007 121.300 -0.440 0.000 4.141 432 W HA -0.256 4.404 4.660 0.000 0.000 0.336 432 W C 0.589 177.037 176.519 -0.119 0.000 1.258 432 W CA 1.008 58.080 57.345 -0.455 0.000 0.747 432 W CB -1.698 27.443 29.460 -0.532 0.000 2.338 432 W HN 0.435 nan 8.180 nan 0.000 1.410 433 S N 0.582 116.314 115.700 0.053 0.000 2.558 433 S HA 0.350 4.820 4.470 0.000 0.000 0.293 433 S C 1.430 176.196 174.600 0.277 0.000 1.292 433 S CA 1.887 60.220 58.200 0.222 0.000 1.063 433 S CB 0.735 64.122 63.200 0.311 0.000 0.831 433 S HN 1.472 nan 8.310 nan 0.000 0.499 434 G N 2.973 112.022 108.800 0.416 0.000 2.213 434 G HA2 -0.207 3.753 3.960 0.000 0.000 0.226 434 G HA3 -0.207 3.753 3.960 0.000 0.000 0.226 434 G C -0.184 174.847 174.900 0.218 0.000 0.992 434 G CA 0.265 45.629 45.100 0.440 0.000 0.632 434 G HN 0.703 nan 8.290 nan 0.000 0.511 435 Y N -0.282 120.135 120.300 0.195 0.000 2.534 435 Y HA 0.705 5.255 4.550 -0.000 0.000 0.329 435 Y C 2.017 177.963 175.900 0.076 0.000 1.154 435 Y CA -0.691 57.480 58.100 0.117 0.000 1.192 435 Y CB 0.888 39.409 38.460 0.101 0.000 1.275 435 Y HN -0.015 nan 8.280 nan 0.000 0.491 436 M N -0.001 119.704 119.600 0.174 0.000 2.144 436 M HA -0.236 4.244 4.480 0.000 0.000 0.260 436 M C 1.859 178.225 176.300 0.110 0.000 1.067 436 M CA 2.030 57.402 55.300 0.120 0.000 1.095 436 M CB -0.228 32.434 32.600 0.104 0.000 1.365 436 M HN 0.799 nan 8.290 nan 0.000 0.406 437 E N 0.540 120.784 120.200 0.073 0.000 2.051 437 E HA -0.141 4.209 4.350 0.000 0.000 0.192 437 E C 1.977 178.652 176.600 0.124 0.000 0.991 437 E CA 1.922 58.334 56.400 0.020 0.000 0.799 437 E CB -0.560 29.018 29.700 -0.204 0.000 0.748 437 E HN 0.431 nan 8.360 nan 0.000 0.449 438 G N -0.019 108.905 108.800 0.206 0.000 2.422 438 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 438 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 438 G C 1.676 176.698 174.900 0.202 0.000 1.140 438 G CA 0.808 46.049 45.100 0.234 0.000 0.775 438 G HN 0.451 nan 8.290 nan 0.000 0.545 439 A N 0.141 123.066 122.820 0.176 0.000 1.972 439 A HA 0.105 4.425 4.320 0.000 0.000 0.219 439 A C 2.556 180.208 177.584 0.114 0.000 1.169 439 A CA 1.687 53.811 52.037 0.146 0.000 0.635 439 A CB -0.421 18.654 19.000 0.125 0.000 0.810 439 A HN 0.241 nan 8.150 nan 0.000 0.446 440 V N -0.160 119.815 119.914 0.101 0.000 2.379 440 V HA -0.202 3.918 4.120 0.000 0.000 0.245 440 V C 2.523 178.665 176.094 0.079 0.000 1.044 440 V CA 2.027 64.372 62.300 0.075 0.000 1.036 440 V CB -0.554 31.307 31.823 0.063 0.000 0.664 440 V HN 0.701 nan 8.190 nan 0.000 0.453 441 E N 0.584 120.853 120.200 0.115 0.000 2.017 441 E HA -0.251 4.099 4.350 0.000 0.000 0.193 441 E C 2.268 178.922 176.600 0.089 0.000 0.997 441 E CA 1.695 58.172 56.400 0.129 0.000 0.804 441 E CB -0.189 29.638 29.700 0.212 0.000 0.757 441 E HN 0.508 nan 8.360 nan 0.000 0.448 442 A N 0.769 123.665 122.820 0.128 0.000 1.933 442 A HA -0.099 4.221 4.320 0.000 0.000 0.218 442 A C 2.383 179.999 177.584 0.054 0.000 1.175 442 A CA 1.843 53.946 52.037 0.109 0.000 0.628 442 A CB -1.070 18.042 19.000 0.186 0.000 0.814 442 A HN 0.456 nan 8.150 nan 0.000 0.444 443 G N -0.338 108.497 108.800 0.057 0.000 2.433 443 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 443 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 443 G C 1.417 176.307 174.900 -0.017 0.000 1.186 443 G CA 0.953 46.070 45.100 0.028 0.000 0.779 443 G HN 0.649 nan 8.290 nan 0.000 0.543 444 E N -0.248 119.938 120.200 -0.023 0.000 2.204 444 E HA -0.061 4.289 4.350 0.000 0.000 0.194 444 E C 2.496 179.027 176.600 -0.115 0.000 0.989 444 E CA 0.285 56.655 56.400 -0.051 0.000 0.824 444 E CB -0.032 29.653 29.700 -0.024 0.000 0.756 444 E HN 0.329 nan 8.360 nan 0.000 0.477 445 R N 0.895 121.295 120.500 -0.167 0.000 2.100 445 R HA 0.037 4.377 4.340 0.000 0.000 0.220 445 R C 2.063 178.196 176.300 -0.278 0.000 1.091 445 R CA 1.048 56.944 56.100 -0.340 0.000 0.986 445 R CB -0.041 29.888 30.300 -0.619 0.000 0.888 445 R HN 0.106 nan 8.270 nan 0.000 0.444 446 A N 1.184 123.913 122.820 -0.151 0.000 1.898 446 A HA -0.001 4.319 4.320 0.000 0.000 0.216 446 A C 2.395 179.879 177.584 -0.168 0.000 1.181 446 A CA 1.476 53.460 52.037 -0.088 0.000 0.620 446 A CB -0.687 18.320 19.000 0.012 0.000 0.819 446 A HN 0.476 nan 8.150 nan 0.000 0.442 447 A N 0.067 122.803 122.820 -0.139 0.000 1.873 447 A HA -0.229 4.091 4.320 0.000 0.000 0.218 447 A C 2.213 179.678 177.584 -0.198 0.000 1.193 447 A CA 1.731 53.675 52.037 -0.155 0.000 0.629 447 A CB -0.560 18.383 19.000 -0.094 0.000 0.826 447 A HN 0.525 nan 8.150 nan 0.000 0.447 448 R N -0.597 119.795 120.500 -0.181 0.000 2.241 448 R HA -0.091 4.249 4.340 0.000 0.000 0.224 448 R C 1.901 178.083 176.300 -0.196 0.000 1.101 448 R CA 1.233 57.230 56.100 -0.171 0.000 0.995 448 R CB -0.178 30.027 30.300 -0.159 0.000 0.870 448 R HN 0.705 nan 8.270 nan 0.000 0.463 449 E N 0.295 120.335 120.200 -0.268 0.000 2.112 449 E HA -0.068 4.282 4.350 0.000 0.000 0.190 449 E C 1.848 178.158 176.600 -0.485 0.000 0.979 449 E CA 0.659 56.896 56.400 -0.270 0.000 0.814 449 E CB 0.140 29.718 29.700 -0.203 0.000 0.762 449 E HN 0.287 nan 8.360 nan 0.000 0.460 450 I N 0.938 121.101 120.570 -0.678 0.000 2.286 450 I HA -0.241 3.929 4.170 0.000 0.000 0.245 450 I C 2.186 177.979 176.117 -0.541 0.000 1.104 450 I CA 0.728 61.500 61.300 -0.880 0.000 1.397 450 I CB -0.063 37.431 38.000 -0.843 0.000 1.072 450 I HN 0.120 nan 8.210 nan 0.000 0.417 451 L N 0.042 121.078 121.223 -0.311 0.000 2.042 451 L HA -0.297 4.043 4.340 0.000 0.000 0.210 451 L C 2.710 179.507 176.870 -0.122 0.000 1.076 451 L CA 1.695 56.429 54.840 -0.177 0.000 0.749 451 L CB -0.907 41.086 42.059 -0.110 0.000 0.893 451 L HN 0.366 nan 8.230 nan 0.000 0.432 452 H N -0.009 118.949 119.070 -0.187 0.000 2.321 452 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 452 H C 2.142 177.407 175.328 -0.106 0.000 1.087 452 H CA 1.576 57.554 56.048 -0.117 0.000 1.319 452 H CB 0.015 29.725 29.762 -0.087 0.000 1.379 452 H HN 0.260 nan 8.280 nan 0.000 0.501 453 A N 0.766 123.421 122.820 -0.275 0.000 1.908 453 A HA -0.204 4.116 4.320 0.000 0.000 0.218 453 A C 2.402 179.890 177.584 -0.160 0.000 1.181 453 A CA 1.953 53.850 52.037 -0.233 0.000 0.627 453 A CB -0.778 18.075 19.000 -0.245 0.000 0.818 453 A HN 0.580 nan 8.150 nan 0.000 0.445 454 M N -1.130 118.363 119.600 -0.178 0.000 2.700 454 M HA 0.060 4.540 4.480 0.000 0.000 0.249 454 M C 1.337 177.594 176.300 -0.072 0.000 1.082 454 M CA 0.845 56.114 55.300 -0.052 0.000 1.077 454 M CB -0.184 32.392 32.600 -0.039 0.000 1.477 454 M HN 0.684 nan 8.290 nan 0.000 0.529 455 G N 0.967 109.680 108.800 -0.145 0.000 2.160 455 G HA2 -0.266 3.694 3.960 0.000 0.000 0.251 455 G HA3 -0.266 3.694 3.960 0.000 0.000 0.251 455 G C 0.781 175.647 174.900 -0.056 0.000 1.008 455 G CA 0.385 45.416 45.100 -0.115 0.000 0.724 455 G HN 0.479 nan 8.290 nan 0.000 0.514 456 K N -0.644 119.726 120.400 -0.050 0.000 2.356 456 K HA 0.327 4.647 4.320 0.000 0.000 0.195 456 K C 1.174 177.772 176.600 -0.003 0.000 1.037 456 K CA 1.224 57.496 56.287 -0.026 0.000 1.014 456 K CB 0.469 32.948 32.500 -0.034 0.000 0.815 456 K HN 0.849 nan 8.250 nan 0.000 0.507 457 I N -2.073 118.511 120.570 0.022 0.000 2.913 457 I HA 0.393 4.563 4.170 0.000 0.000 0.302 457 I C -3.061 173.142 176.117 0.143 0.000 1.246 457 I CA -2.802 58.531 61.300 0.055 0.000 1.010 457 I CB 2.430 40.448 38.000 0.030 0.000 1.259 457 I HN -0.259 nan 8.210 nan 0.000 0.434 458 P HA 0.068 nan 4.420 nan 0.000 0.272 458 P C 0.341 177.690 177.300 0.081 0.000 1.223 458 P CA 0.026 63.209 63.100 0.138 0.000 0.784 458 P CB 1.091 32.833 31.700 0.069 0.000 0.923 459 E N 1.720 121.905 120.200 -0.025 0.000 2.114 459 E HA -0.266 4.084 4.350 0.000 0.000 0.199 459 E C 1.070 177.597 176.600 -0.122 0.000 1.008 459 E CA 1.936 58.131 56.400 -0.342 0.000 0.810 459 E CB -0.247 29.310 29.700 -0.238 0.000 0.739 459 E HN 0.563 nan 8.360 nan 0.000 0.456 460 D N -0.353 120.034 120.400 -0.022 0.000 2.378 460 D HA -0.143 4.497 4.640 0.000 0.000 0.227 460 D C 1.002 177.325 176.300 0.038 0.000 1.012 460 D CA 0.581 54.596 54.000 0.024 0.000 0.905 460 D CB -0.184 40.633 40.800 0.028 0.000 0.895 460 D HN 0.265 nan 8.370 nan 0.000 0.532 461 E N -0.530 119.679 120.200 0.014 0.000 2.481 461 E HA 0.198 4.548 4.350 0.000 0.000 0.198 461 E C 1.940 178.532 176.600 -0.012 0.000 1.027 461 E CA -0.278 56.131 56.400 0.015 0.000 0.900 461 E CB 0.349 30.057 29.700 0.012 0.000 0.993 461 E HN 0.285 nan 8.360 nan 0.000 0.482 462 I N -0.088 120.456 120.570 -0.043 0.000 2.179 462 I HA -0.180 3.990 4.170 0.000 0.000 0.242 462 I C 0.364 176.332 176.117 -0.247 0.000 1.088 462 I CA 1.092 62.295 61.300 -0.161 0.000 1.357 462 I CB 0.018 37.901 38.000 -0.195 0.000 1.051 462 I HN 0.106 nan 8.210 nan 0.000 0.409 463 W N 1.836 123.134 121.300 -0.004 0.000 2.314 463 W HA 0.484 5.144 4.660 0.000 0.000 0.310 463 W C 0.133 176.656 176.519 0.007 0.000 1.075 463 W CA -0.277 57.076 57.345 0.013 0.000 1.253 463 W CB 0.539 30.009 29.460 0.015 0.000 1.238 463 W HN -0.021 nan 8.180 nan 0.000 0.440 464 Q N 2.735 122.643 119.800 0.180 0.000 2.340 464 Q HA 0.462 4.802 4.340 0.000 0.000 0.268 464 Q C 0.090 176.159 176.000 0.115 0.000 1.031 464 Q CA -0.553 55.318 55.803 0.113 0.000 0.804 464 Q CB 1.601 30.373 28.738 0.057 0.000 1.286 464 Q HN 0.517 nan 8.270 nan 0.000 0.448 465 S N 2.364 118.116 115.700 0.087 0.000 2.603 465 S HA 0.370 4.840 4.470 0.000 0.000 0.268 465 S C -0.275 174.362 174.600 0.060 0.000 1.317 465 S CA -0.684 57.558 58.200 0.070 0.000 1.012 465 S CB 1.486 64.711 63.200 0.042 0.000 0.926 465 S HN 0.673 nan 8.310 nan 0.000 0.539 466 E N 1.490 121.727 120.200 0.062 0.000 2.158 466 E HA 0.561 4.911 4.350 0.000 0.000 0.271 466 E C -2.544 174.083 176.600 0.046 0.000 0.911 466 E CA -2.151 54.284 56.400 0.058 0.000 0.767 466 E CB 0.857 30.604 29.700 0.079 0.000 1.120 466 E HN 0.590 nan 8.360 nan 0.000 0.405 467 P HA 0.110 nan 4.420 nan 0.000 0.275 467 P C -0.665 176.654 177.300 0.031 0.000 1.228 467 P CA -0.306 62.811 63.100 0.028 0.000 0.786 467 P CB 0.635 32.348 31.700 0.022 0.000 0.927 468 E N 1.598 121.815 120.200 0.027 0.000 2.366 468 E HA 0.079 4.429 4.350 0.000 0.000 0.266 468 E C -0.056 176.557 176.600 0.021 0.000 1.015 468 E CA -0.302 56.114 56.400 0.027 0.000 0.906 468 E CB 0.365 30.079 29.700 0.023 0.000 0.979 468 E HN 0.396 nan 8.360 nan 0.000 0.443 469 S N 2.995 118.707 115.700 0.019 0.000 2.593 469 S HA -0.091 4.379 4.470 0.000 0.000 0.300 469 S C 1.170 175.778 174.600 0.013 0.000 1.267 469 S CA 0.092 58.301 58.200 0.015 0.000 1.065 469 S CB 0.655 63.860 63.200 0.008 0.000 0.807 469 S HN 0.563 nan 8.310 nan 0.000 0.499 470 V N 1.942 121.864 119.914 0.014 0.000 2.951 470 V HA 0.083 4.203 4.120 0.000 0.000 0.255 470 V C 1.458 177.559 176.094 0.011 0.000 1.088 470 V CA 1.413 63.720 62.300 0.012 0.000 1.109 470 V CB -0.468 31.362 31.823 0.012 0.000 0.724 470 V HN 0.829 nan 8.190 nan 0.000 0.471 471 D N 1.130 121.538 120.400 0.013 0.000 2.213 471 D HA 0.075 4.715 4.640 0.000 0.000 0.205 471 D C 0.778 177.082 176.300 0.006 0.000 0.961 471 D CA 1.231 55.240 54.000 0.015 0.000 0.853 471 D CB 0.757 41.571 40.800 0.024 0.000 0.967 471 D HN 0.523 nan 8.370 nan 0.000 0.496 472 V N 3.435 123.348 119.914 -0.001 0.000 2.405 472 V HA 0.190 4.310 4.120 0.000 0.000 0.253 472 V C -2.434 173.652 176.094 -0.013 0.000 0.963 472 V CA -1.255 61.035 62.300 -0.016 0.000 1.003 472 V CB 1.202 33.002 31.823 -0.038 0.000 1.251 472 V HN -0.045 nan 8.190 nan 0.000 0.520 473 P HA 0.359 nan 4.420 nan 0.000 0.275 473 P C -0.312 176.988 177.300 -0.001 0.000 1.228 473 P CA 0.064 63.164 63.100 0.001 0.000 0.786 473 P CB 1.491 33.193 31.700 0.003 0.000 0.927 474 A N 3.256 126.081 122.820 0.008 0.000 2.276 474 A HA 0.279 4.599 4.320 0.000 0.000 0.300 474 A C 0.400 177.988 177.584 0.006 0.000 1.235 474 A CA -0.493 51.551 52.037 0.012 0.000 0.867 474 A CB -0.013 19.006 19.000 0.031 0.000 1.137 474 A HN 0.437 nan 8.150 nan 0.000 0.527 475 Q N 2.580 122.380 119.800 0.000 0.000 2.392 475 Q HA 0.272 4.612 4.340 0.000 0.000 0.262 475 Q C -2.166 173.832 176.000 -0.002 0.000 1.003 475 Q CA -1.517 54.283 55.803 -0.004 0.000 0.888 475 Q CB 0.250 28.981 28.738 -0.012 0.000 1.260 475 Q HN 0.579 nan 8.270 nan 0.000 0.435 476 P HA 0.183 nan 4.420 nan 0.000 0.274 476 P C -0.379 176.915 177.300 -0.010 0.000 1.231 476 P CA -0.461 62.636 63.100 -0.006 0.000 0.790 476 P CB 0.738 32.435 31.700 -0.006 0.000 0.951 477 I N 2.580 123.143 120.570 -0.013 0.000 2.363 477 I HA 0.104 4.274 4.170 0.000 0.000 0.292 477 I C 1.112 177.223 176.117 -0.011 0.000 1.075 477 I CA 0.209 61.500 61.300 -0.014 0.000 1.333 477 I CB -0.418 37.569 38.000 -0.022 0.000 1.415 477 I HN 0.371 nan 8.210 nan 0.000 0.502 478 T N 2.358 116.908 114.554 -0.007 0.000 2.829 478 T HA 0.669 5.019 4.350 0.000 0.000 0.282 478 T C 0.266 174.972 174.700 0.011 0.000 0.990 478 T CA -0.749 61.352 62.100 0.001 0.000 1.028 478 T CB 1.567 70.436 68.868 0.002 0.000 0.951 478 T HN 0.627 nan 8.240 nan 0.000 0.460 479 T N -0.255 114.305 114.554 0.011 0.000 2.945 479 T HA 0.699 5.049 4.350 0.000 0.000 0.286 479 T C 0.474 175.198 174.700 0.040 0.000 1.025 479 T CA -0.788 61.322 62.100 0.018 0.000 1.039 479 T CB 1.225 70.085 68.868 -0.014 0.000 1.068 479 T HN 0.908 nan 8.240 nan 0.000 0.497 480 T N -0.466 114.122 114.554 0.057 0.000 2.902 480 T HA 0.401 4.751 4.350 0.000 0.000 0.280 480 T C 0.807 175.586 174.700 0.131 0.000 0.992 480 T CA -0.893 61.269 62.100 0.103 0.000 1.015 480 T CB 0.692 69.627 68.868 0.110 0.000 1.044 480 T HN 0.515 nan 8.240 nan 0.000 0.520 481 F N 0.665 120.652 119.950 0.062 0.000 2.095 481 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 481 F C 1.945 177.822 175.800 0.129 0.000 1.104 481 F CA 1.449 59.513 58.000 0.106 0.000 1.232 481 F CB -0.489 38.566 39.000 0.092 0.000 0.987 481 F HN 0.507 nan 8.300 nan 0.000 0.475 482 L N -0.002 121.312 121.223 0.151 0.000 1.994 482 L HA -0.234 4.106 4.340 0.000 0.000 0.208 482 L C 2.488 179.361 176.870 0.005 0.000 1.071 482 L CA 1.887 56.770 54.840 0.072 0.000 0.745 482 L CB -0.817 41.335 42.059 0.156 0.000 0.892 482 L HN 0.175 nan 8.230 nan 0.000 0.431 483 E N -0.272 119.954 120.200 0.043 0.000 2.108 483 E HA -0.306 4.044 4.350 0.000 0.000 0.203 483 E C 2.329 178.869 176.600 -0.100 0.000 1.022 483 E CA 1.583 57.988 56.400 0.008 0.000 0.823 483 E CB -0.056 29.659 29.700 0.023 0.000 0.744 483 E HN 0.340 nan 8.360 nan 0.000 0.456 484 R N -0.842 119.542 120.500 -0.193 0.000 2.092 484 R HA -0.089 4.251 4.340 0.000 0.000 0.231 484 R C 1.906 177.889 176.300 -0.528 0.000 1.119 484 R CA 1.137 57.009 56.100 -0.380 0.000 0.970 484 R CB 0.037 30.048 30.300 -0.481 0.000 0.864 484 R HN 0.312 nan 8.270 nan 0.000 0.440 485 H N -1.089 117.802 119.070 -0.299 0.000 3.058 485 H HA 0.207 4.763 4.556 0.000 0.000 0.258 485 H C 0.342 175.567 175.328 -0.172 0.000 1.015 485 H CA -0.187 55.679 56.048 -0.304 0.000 1.210 485 H CB 0.479 29.895 29.762 -0.577 0.000 1.481 485 H HN 0.020 nan 8.280 nan 0.000 0.492 486 L N 4.322 125.532 121.223 -0.022 0.000 2.543 486 L HA 0.014 4.354 4.340 0.000 0.000 0.285 486 L C -1.708 175.165 176.870 0.005 0.000 1.236 486 L CA -1.139 53.716 54.840 0.025 0.000 0.871 486 L CB 0.287 42.398 42.059 0.087 0.000 1.121 486 L HN 0.026 nan 8.230 nan 0.000 0.501 487 P HA 0.174 nan 4.420 nan 0.000 0.278 487 P C -0.680 176.597 177.300 -0.038 0.000 1.258 487 P CA -0.634 62.453 63.100 -0.022 0.000 0.811 487 P CB 1.146 32.830 31.700 -0.027 0.000 1.063 488 S N -0.180 115.478 115.700 -0.070 0.000 2.626 488 S HA 0.099 4.569 4.470 0.000 0.000 0.257 488 S C 1.494 175.987 174.600 -0.178 0.000 1.288 488 S CA -0.525 57.611 58.200 -0.106 0.000 0.980 488 S CB -0.457 62.672 63.200 -0.118 0.000 0.975 488 S HN 0.215 nan 8.310 nan 0.000 0.577 489 V N 2.524 122.271 119.914 -0.278 0.000 2.244 489 V HA -0.060 4.060 4.120 0.000 0.000 0.244 489 V C -0.447 175.265 176.094 -0.636 0.000 1.042 489 V CA 1.789 63.838 62.300 -0.418 0.000 1.006 489 V CB -1.904 29.676 31.823 -0.405 0.000 0.641 489 V HN 0.799 nan 8.190 nan 0.000 0.446 490 P HA -0.173 nan 4.420 nan 0.000 0.218 490 P C 1.630 178.732 177.300 -0.330 0.000 1.146 490 P CA 2.142 64.808 63.100 -0.723 0.000 0.813 490 P CB -0.278 31.109 31.700 -0.522 0.000 0.778 491 G N 0.195 108.847 108.800 -0.247 0.000 2.394 491 G HA2 -0.197 3.763 3.960 0.000 0.000 0.214 491 G HA3 -0.197 3.763 3.960 0.000 0.000 0.214 491 G C 1.511 176.342 174.900 -0.115 0.000 1.176 491 G CA 0.397 45.415 45.100 -0.136 0.000 0.786 491 G HN 0.210 nan 8.290 nan 0.000 0.533 492 L N 0.752 121.898 121.223 -0.129 0.000 2.012 492 L HA 0.021 4.361 4.340 0.000 0.000 0.210 492 L C 2.734 179.547 176.870 -0.094 0.000 1.073 492 L CA 1.349 56.134 54.840 -0.092 0.000 0.748 492 L CB -0.598 41.411 42.059 -0.084 0.000 0.891 492 L HN 0.154 nan 8.230 nan 0.000 0.431 493 L N -0.799 120.338 121.223 -0.144 0.000 1.997 493 L HA -0.327 4.013 4.340 0.000 0.000 0.216 493 L C 2.858 179.680 176.870 -0.080 0.000 1.074 493 L CA 1.922 56.687 54.840 -0.125 0.000 0.763 493 L CB -0.638 41.299 42.059 -0.204 0.000 0.890 493 L HN 0.367 nan 8.230 nan 0.000 0.434 494 R N -0.635 119.815 120.500 -0.084 0.000 2.081 494 R HA -0.165 4.175 4.340 0.000 0.000 0.235 494 R C 2.045 178.324 176.300 -0.034 0.000 1.131 494 R CA 1.022 57.093 56.100 -0.049 0.000 0.960 494 R CB -0.300 29.973 30.300 -0.045 0.000 0.856 494 R HN 0.206 nan 8.270 nan 0.000 0.436 495 L N 0.662 121.862 121.223 -0.038 0.000 2.450 495 L HA -0.022 4.318 4.340 0.000 0.000 0.224 495 L C 1.037 177.895 176.870 -0.020 0.000 1.149 495 L CA 1.237 56.062 54.840 -0.025 0.000 0.816 495 L CB -0.313 41.731 42.059 -0.024 0.000 0.932 495 L HN 0.064 nan 8.230 nan 0.000 0.449 496 I N 0.000 120.555 120.570 -0.025 0.000 2.984 496 I HA 0.000 4.170 4.170 0.000 0.000 0.288 496 I CA 0.000 61.290 61.300 -0.017 0.000 1.566 496 I CB 0.000 37.988 38.000 -0.020 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494