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 2xff_1_A DATA FIRST_RESID 4 DATA SEQUENCE NVKGNYVQVY VMLPLDAVSV NNRFEKGDEL RAQLRKLVEA GVDGVMVDVW DATA SEQUENCE WGLVEGKGPK AYDWSAYKQL FELVQKAGLK LQAIMSFHQC GGNVGDAVNI DATA SEQUENCE PIPQWVRDVG TRDPDIFYTD GHGTRNIEYL TLGVDNQPLF HGRSAVQMYA DATA SEQUENCE DYMTSFRENM KEFLDAGVIV DIEVGLGPAG EMRYPSYPQS HGWSFPGIGE DATA SEQUENCE FICYDKYLQA DFKAAAAAVG HPEWEFPNDV GQYNDTPERT QFFRDNGTYL DATA SEQUENCE SEKGRFFLAW YSNNLIKHGD RILDEANKVF LGYKVQLAIK ISGIHWWYKV DATA SEQUENCE PSHAAELTAG YYNLHDRDGY RTIARMLKRH RASINFTCAE MRDSEQSSQA DATA SEQUENCE MSAPEELVQQ VLSAGWREGL NVACENALPR YDPTAYNTIL RNARPHGINQ DATA SEQUENCE SGPPEHKLFG FTYLRLSNQL VEGQNYANFK TFVDRMHANL PRDPYVDPMA DATA SEQUENCE PLPRSGPEIS IEMILQAAQP KLQPFPFQEH TDLPVG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.499 175.510 -0.018 0.000 1.280 4 N CA 0.000 53.039 53.050 -0.019 0.000 0.885 4 N CB 0.000 38.473 38.487 -0.023 0.000 1.341 5 V N 1.313 121.220 119.914 -0.012 0.000 3.444 5 V HA 0.310 4.450 4.120 0.033 0.000 0.308 5 V C 1.864 177.961 176.094 0.005 0.000 1.371 5 V CA 0.402 62.698 62.300 -0.006 0.000 1.141 5 V CB 0.037 31.858 31.823 -0.004 0.000 1.037 5 V HN 0.597 nan 8.190 nan 0.000 0.433 6 K N 1.962 122.360 120.400 -0.002 0.000 2.113 6 K HA -0.119 4.221 4.320 0.033 0.000 0.208 6 K C 1.958 178.561 176.600 0.005 0.000 1.047 6 K CA 2.030 58.316 56.287 -0.002 0.000 0.928 6 K CB -0.703 31.773 32.500 -0.039 0.000 0.716 6 K HN 0.601 nan 8.250 nan 0.000 0.446 7 G N 0.565 109.360 108.800 -0.008 0.000 2.625 7 G HA2 -0.182 3.798 3.960 0.033 0.000 0.214 7 G HA3 -0.182 3.798 3.960 0.033 0.000 0.214 7 G C 1.015 175.922 174.900 0.013 0.000 1.132 7 G CA 0.350 45.446 45.100 -0.008 0.000 0.782 7 G HN 0.365 nan 8.290 nan 0.000 0.538 8 N N -0.592 118.124 118.700 0.027 0.000 2.446 8 N HA -0.023 4.737 4.740 0.033 0.000 0.179 8 N C 0.123 175.678 175.510 0.075 0.000 1.054 8 N CA -0.179 52.888 53.050 0.028 0.000 0.905 8 N CB 0.113 38.603 38.487 0.006 0.000 0.973 8 N HN 0.383 nan 8.380 nan 0.000 0.448 9 Y N 2.278 122.550 120.300 -0.047 0.000 2.721 9 Y HA 0.004 4.574 4.550 0.033 0.000 0.329 9 Y C -0.180 175.702 175.900 -0.031 0.000 1.211 9 Y CA 0.054 58.126 58.100 -0.046 0.000 1.512 9 Y CB 0.409 38.809 38.460 -0.101 0.000 1.249 9 Y HN -0.304 nan 8.280 nan 0.000 0.549 10 V N 7.411 127.345 119.914 0.033 0.000 2.409 10 V HA 0.227 4.367 4.120 0.033 0.000 0.291 10 V C -0.295 175.828 176.094 0.048 0.000 1.020 10 V CA -1.111 61.229 62.300 0.067 0.000 0.848 10 V CB 1.455 33.296 31.823 0.030 0.000 0.990 10 V HN 0.712 nan 8.190 nan 0.000 0.430 11 Q N 2.352 122.255 119.800 0.171 0.000 2.392 11 Q HA 0.404 4.764 4.340 0.033 0.000 0.262 11 Q C -0.812 175.301 176.000 0.188 0.000 1.003 11 Q CA -0.069 55.858 55.803 0.207 0.000 0.888 11 Q CB 1.578 30.457 28.738 0.235 0.000 1.260 11 Q HN 0.570 nan 8.270 nan 0.000 0.435 12 V N 3.145 123.114 119.914 0.092 0.000 2.487 12 V HA 0.342 4.482 4.120 0.033 0.000 0.298 12 V C -1.141 174.960 176.094 0.012 0.000 1.028 12 V CA -0.710 61.674 62.300 0.140 0.000 0.860 12 V CB 0.679 32.470 31.823 -0.053 0.000 0.991 12 V HN 0.596 nan 8.190 nan 0.000 0.427 13 Y N 2.788 123.198 120.300 0.185 0.000 2.528 13 Y HA 0.746 5.317 4.550 0.033 0.000 0.335 13 Y C 0.049 176.075 175.900 0.210 0.000 1.093 13 Y CA -1.002 57.187 58.100 0.147 0.000 1.134 13 Y CB 2.160 40.659 38.460 0.066 0.000 1.253 13 Y HN 0.338 nan 8.280 nan 0.000 0.478 14 V N 3.337 123.444 119.914 0.321 0.000 2.531 14 V HA 0.269 4.409 4.120 0.033 0.000 0.301 14 V C -0.326 175.897 176.094 0.215 0.000 1.034 14 V CA -0.981 61.500 62.300 0.301 0.000 0.865 14 V CB 1.550 33.524 31.823 0.252 0.000 0.995 14 V HN 0.725 nan 8.190 nan 0.000 0.424 15 M N 5.444 125.149 119.600 0.175 0.000 2.238 15 M HA 0.319 4.819 4.480 0.033 0.000 0.350 15 M C -0.400 175.980 176.300 0.133 0.000 1.321 15 M CA 0.581 55.950 55.300 0.117 0.000 1.097 15 M CB 0.094 32.732 32.600 0.064 0.000 1.713 15 M HN 0.498 nan 8.290 nan 0.000 0.455 16 L N 6.573 127.873 121.223 0.129 0.000 2.472 16 L HA 0.340 4.700 4.340 0.033 0.000 0.260 16 L C -1.935 175.025 176.870 0.149 0.000 1.209 16 L CA -1.968 52.957 54.840 0.143 0.000 0.817 16 L CB -0.121 42.033 42.059 0.158 0.000 1.106 16 L HN 0.543 nan 8.230 nan 0.000 0.479 17 P HA 0.002 nan 4.420 nan 0.000 0.268 17 P C 0.649 178.067 177.300 0.198 0.000 1.208 17 P CA -0.013 63.177 63.100 0.150 0.000 0.777 17 P CB 0.504 32.280 31.700 0.126 0.000 0.875 18 L N 1.323 122.670 121.223 0.205 0.000 2.191 18 L HA -0.143 4.217 4.340 0.033 0.000 0.212 18 L C 1.582 178.629 176.870 0.296 0.000 1.103 18 L CA 1.481 56.500 54.840 0.299 0.000 0.769 18 L CB -0.686 41.514 42.059 0.235 0.000 0.908 18 L HN 0.490 nan 8.230 nan 0.000 0.438 19 D N -0.059 120.451 120.400 0.183 0.000 2.352 19 D HA 0.009 4.669 4.640 0.033 0.000 0.236 19 D C 1.674 178.069 176.300 0.158 0.000 1.148 19 D CA 0.620 54.703 54.000 0.138 0.000 0.844 19 D CB 0.294 41.136 40.800 0.071 0.000 0.933 19 D HN 0.160 nan 8.370 nan 0.000 0.507 20 A N 0.026 122.976 122.820 0.216 0.000 1.940 20 A HA -0.015 4.325 4.320 0.033 0.000 0.219 20 A C 1.170 178.913 177.584 0.266 0.000 1.176 20 A CA 0.841 53.023 52.037 0.241 0.000 0.631 20 A CB -0.142 19.010 19.000 0.254 0.000 0.814 20 A HN 0.225 nan 8.150 nan 0.000 0.446 21 V N 0.679 120.703 119.914 0.184 0.000 2.513 21 V HA 0.417 4.557 4.120 0.033 0.000 0.299 21 V C 0.610 176.766 176.094 0.102 0.000 1.035 21 V CA -0.302 62.054 62.300 0.094 0.000 0.889 21 V CB 1.518 33.207 31.823 -0.224 0.000 0.988 21 V HN 0.555 nan 8.190 nan 0.000 0.440 22 S N 3.458 119.198 115.700 0.066 0.000 2.589 22 S HA 0.129 4.619 4.470 0.033 0.000 0.265 22 S C 1.347 175.964 174.600 0.028 0.000 1.342 22 S CA 0.079 58.301 58.200 0.037 0.000 1.005 22 S CB 1.352 64.560 63.200 0.014 0.000 0.909 22 S HN 1.307 nan 8.310 nan 0.000 0.555 23 V N -0.497 119.415 119.914 -0.003 0.000 3.026 23 V HA -0.064 4.076 4.120 0.033 0.000 0.265 23 V C 0.947 177.035 176.094 -0.009 0.000 1.121 23 V CA 1.680 63.963 62.300 -0.028 0.000 1.142 23 V CB -1.750 30.041 31.823 -0.054 0.000 0.730 23 V HN 0.825 nan 8.190 nan 0.000 0.503 24 N N 0.976 119.680 118.700 0.006 0.000 2.268 24 N HA 0.152 4.912 4.740 0.033 0.000 0.204 24 N C 0.537 176.065 175.510 0.030 0.000 1.124 24 N CA 0.427 53.485 53.050 0.013 0.000 0.838 24 N CB -0.103 38.389 38.487 0.008 0.000 0.994 24 N HN 0.536 nan 8.380 nan 0.000 0.489 25 N N 1.204 119.931 118.700 0.045 0.000 2.738 25 N HA -0.214 4.546 4.740 0.033 0.000 0.249 25 N C -1.325 174.212 175.510 0.044 0.000 1.047 25 N CA 0.619 53.704 53.050 0.058 0.000 0.707 25 N CB -0.702 37.832 38.487 0.079 0.000 0.937 25 N HN 0.366 nan 8.380 nan 0.000 0.545 26 R N 0.034 120.560 120.500 0.043 0.000 2.750 26 R HA 0.435 4.795 4.340 0.033 0.000 0.281 26 R C -0.798 175.565 176.300 0.105 0.000 0.972 26 R CA -0.834 55.303 56.100 0.061 0.000 0.912 26 R CB 0.914 31.237 30.300 0.037 0.000 1.187 26 R HN 0.132 nan 8.270 nan 0.000 0.464 27 F N 2.992 122.913 119.950 -0.049 0.000 2.368 27 F HA 0.228 4.775 4.527 0.033 0.000 0.362 27 F C 0.457 176.245 175.800 -0.020 0.000 1.137 27 F CA -0.393 57.577 58.000 -0.050 0.000 1.161 27 F CB 0.570 39.538 39.000 -0.054 0.000 1.265 27 F HN 0.566 nan 8.300 nan 0.000 0.530 28 E N 3.610 123.605 120.200 -0.341 0.000 2.490 28 E HA 0.064 4.434 4.350 0.033 0.000 0.209 28 E C 0.345 176.728 176.600 -0.362 0.000 0.971 28 E CA 0.151 56.385 56.400 -0.276 0.000 0.988 28 E CB 0.585 30.209 29.700 -0.127 0.000 1.029 28 E HN 0.584 nan 8.360 nan 0.000 0.496 29 K N 0.669 120.736 120.400 -0.555 0.000 2.758 29 K HA 0.203 4.543 4.320 0.033 0.000 0.208 29 K C 1.235 177.573 176.600 -0.435 0.000 1.091 29 K CA -0.157 55.914 56.287 -0.360 0.000 1.059 29 K CB 1.137 33.536 32.500 -0.169 0.000 0.801 29 K HN 0.027 nan 8.250 nan 0.000 0.470 30 G N 1.593 109.977 108.800 -0.693 0.000 2.440 30 G HA2 -0.256 3.724 3.960 0.033 0.000 0.218 30 G HA3 -0.256 3.724 3.960 0.033 0.000 0.218 30 G C 1.024 175.885 174.900 -0.065 0.000 1.154 30 G CA 0.983 45.878 45.100 -0.341 0.000 0.767 30 G HN 0.257 nan 8.290 nan 0.000 0.552 31 D N 0.158 120.506 120.400 -0.086 0.000 2.123 31 D HA -0.068 4.592 4.640 0.033 0.000 0.200 31 D C 2.185 178.472 176.300 -0.021 0.000 0.976 31 D CA 1.036 55.018 54.000 -0.030 0.000 0.831 31 D CB -0.178 40.600 40.800 -0.035 0.000 0.974 31 D HN 0.517 nan 8.370 nan 0.000 0.469 32 E N 0.342 120.517 120.200 -0.041 0.000 2.077 32 E HA -0.168 4.202 4.350 0.033 0.000 0.193 32 E C 2.135 178.738 176.600 0.005 0.000 0.989 32 E CA 0.465 56.851 56.400 -0.023 0.000 0.800 32 E CB 0.001 29.681 29.700 -0.033 0.000 0.746 32 E HN 0.018 nan 8.360 nan 0.000 0.452 33 L N 1.287 122.524 121.223 0.024 0.000 2.046 33 L HA -0.120 4.240 4.340 0.033 0.000 0.208 33 L C 2.336 179.254 176.870 0.080 0.000 1.077 33 L CA 1.656 56.544 54.840 0.079 0.000 0.747 33 L CB -0.414 41.744 42.059 0.165 0.000 0.896 33 L HN 0.026 nan 8.230 nan 0.000 0.432 34 R N -0.857 119.690 120.500 0.079 0.000 2.096 34 R HA -0.203 4.157 4.340 0.033 0.000 0.240 34 R C 2.195 178.518 176.300 0.040 0.000 1.139 34 R CA 1.567 57.708 56.100 0.069 0.000 0.952 34 R CB -0.540 29.798 30.300 0.064 0.000 0.854 34 R HN 0.551 nan 8.270 nan 0.000 0.436 35 A N 0.655 123.487 122.820 0.020 0.000 1.902 35 A HA -0.216 4.124 4.320 0.033 0.000 0.217 35 A C 2.014 179.591 177.584 -0.011 0.000 1.181 35 A CA 1.291 53.327 52.037 -0.001 0.000 0.623 35 A CB -0.384 18.608 19.000 -0.013 0.000 0.818 35 A HN 0.385 nan 8.150 nan 0.000 0.443 36 Q N -0.371 119.428 119.800 -0.000 0.000 2.084 36 Q HA -0.052 4.308 4.340 0.033 0.000 0.202 36 Q C 2.021 178.030 176.000 0.014 0.000 0.978 36 Q CA 1.341 57.140 55.803 -0.006 0.000 0.844 36 Q CB -0.325 28.421 28.738 0.013 0.000 0.898 36 Q HN 0.667 nan 8.270 nan 0.000 0.426 37 L N 0.165 121.412 121.223 0.040 0.000 2.141 37 L HA -0.162 4.198 4.340 0.033 0.000 0.209 37 L C 2.439 179.339 176.870 0.050 0.000 1.094 37 L CA 0.963 55.836 54.840 0.056 0.000 0.763 37 L CB -0.374 41.725 42.059 0.068 0.000 0.908 37 L HN 0.195 nan 8.230 nan 0.000 0.437 38 R N 0.094 120.614 120.500 0.033 0.000 2.091 38 R HA -0.154 4.206 4.340 0.033 0.000 0.238 38 R C 2.297 178.617 176.300 0.034 0.000 1.136 38 R CA 1.106 57.223 56.100 0.029 0.000 0.959 38 R CB -0.143 30.164 30.300 0.011 0.000 0.856 38 R HN 0.244 nan 8.270 nan 0.000 0.437 39 K N 0.704 121.103 120.400 -0.001 0.000 2.097 39 K HA -0.072 4.268 4.320 0.033 0.000 0.205 39 K C 2.115 178.828 176.600 0.188 0.000 1.050 39 K CA 0.982 57.260 56.287 -0.016 0.000 0.938 39 K CB -0.239 32.124 32.500 -0.230 0.000 0.718 39 K HN 0.262 nan 8.250 nan 0.000 0.442 40 L N 0.540 121.853 121.223 0.149 0.000 2.093 40 L HA -0.122 4.238 4.340 0.033 0.000 0.208 40 L C 2.365 179.337 176.870 0.171 0.000 1.085 40 L CA 0.683 55.647 54.840 0.206 0.000 0.755 40 L CB -0.549 41.596 42.059 0.144 0.000 0.904 40 L HN -0.132 nan 8.230 nan 0.000 0.435 41 V N 0.087 120.070 119.914 0.116 0.000 2.427 41 V HA -0.278 3.862 4.120 0.033 0.000 0.248 41 V C 2.483 178.635 176.094 0.096 0.000 1.051 41 V CA 1.892 64.243 62.300 0.086 0.000 1.048 41 V CB -0.510 31.350 31.823 0.061 0.000 0.666 41 V HN 0.526 nan 8.190 nan 0.000 0.456 42 E N 0.608 120.883 120.200 0.126 0.000 2.160 42 E HA -0.221 4.149 4.350 0.033 0.000 0.195 42 E C 1.992 178.676 176.600 0.140 0.000 0.991 42 E CA 1.397 57.881 56.400 0.141 0.000 0.810 42 E CB -0.124 29.685 29.700 0.181 0.000 0.742 42 E HN 0.592 nan 8.360 nan 0.000 0.466 43 A N -0.138 122.785 122.820 0.172 0.000 2.218 43 A HA 0.265 4.605 4.320 0.033 0.000 0.209 43 A C 1.671 179.236 177.584 -0.032 0.000 1.168 43 A CA 0.889 52.957 52.037 0.053 0.000 0.804 43 A CB -0.123 18.964 19.000 0.145 0.000 0.834 43 A HN 0.465 nan 8.150 nan 0.000 0.482 44 G N -1.159 107.660 108.800 0.032 0.000 2.132 44 G HA2 -0.185 3.795 3.960 0.033 0.000 0.234 44 G HA3 -0.185 3.795 3.960 0.033 0.000 0.234 44 G C 0.197 175.143 174.900 0.076 0.000 0.989 44 G CA 0.038 45.167 45.100 0.048 0.000 0.676 44 G HN 0.734 nan 8.290 nan 0.000 0.522 45 V N 1.098 121.039 119.914 0.045 0.000 2.788 45 V HA 0.067 4.207 4.120 0.033 0.000 0.307 45 V C 1.585 177.667 176.094 -0.021 0.000 1.069 45 V CA 0.970 63.286 62.300 0.025 0.000 1.173 45 V CB 0.960 32.851 31.823 0.114 0.000 0.925 45 V HN 0.406 nan 8.190 nan 0.000 0.492 46 D N 2.597 122.919 120.400 -0.130 0.000 2.162 46 D HA 0.137 4.797 4.640 0.033 0.000 0.203 46 D C 0.731 176.783 176.300 -0.413 0.000 0.967 46 D CA 1.465 55.305 54.000 -0.267 0.000 0.840 46 D CB 0.673 41.258 40.800 -0.360 0.000 0.972 46 D HN 0.758 nan 8.370 nan 0.000 0.482 47 G N -0.245 108.221 108.800 -0.557 0.000 2.489 47 G HA2 0.421 4.401 3.960 0.033 0.000 0.305 47 G HA3 0.421 4.401 3.960 0.033 0.000 0.305 47 G C -1.392 173.524 174.900 0.026 0.000 1.311 47 G CA -0.203 44.741 45.100 -0.261 0.000 0.813 47 G HN 0.081 nan 8.290 nan 0.000 0.480 48 V N -2.669 117.375 119.914 0.218 0.000 3.126 48 V HA 0.938 5.078 4.120 0.033 0.000 0.314 48 V C -0.281 175.941 176.094 0.212 0.000 1.138 48 V CA -1.081 61.349 62.300 0.216 0.000 1.034 48 V CB 1.986 33.885 31.823 0.125 0.000 1.075 48 V HN 1.119 nan 8.190 nan 0.000 0.442 49 M N 2.440 122.120 119.600 0.134 0.000 2.464 49 M HA 0.860 5.360 4.480 0.033 0.000 0.308 49 M C -1.920 174.401 176.300 0.036 0.000 1.127 49 M CA -0.683 54.638 55.300 0.034 0.000 0.913 49 M CB 2.081 34.679 32.600 -0.004 0.000 1.689 49 M HN 0.844 nan 8.290 nan 0.000 0.445 50 V N 3.407 123.320 119.914 -0.001 0.000 2.932 50 V HA 0.426 4.566 4.120 0.033 0.000 0.307 50 V C -1.717 174.334 176.094 -0.072 0.000 1.147 50 V CA -0.613 61.713 62.300 0.043 0.000 0.951 50 V CB 2.769 34.698 31.823 0.176 0.000 1.031 50 V HN 0.974 nan 8.190 nan 0.000 0.426 51 D N 4.395 124.693 120.400 -0.170 0.000 2.383 51 D HA 0.343 5.003 4.640 0.033 0.000 0.252 51 D C -0.342 175.629 176.300 -0.547 0.000 1.166 51 D CA 0.057 53.706 54.000 -0.585 0.000 0.879 51 D CB 1.337 41.464 40.800 -1.121 0.000 1.164 51 D HN 0.315 nan 8.370 nan 0.000 0.462 52 V N 3.575 123.148 119.914 -0.569 0.000 2.259 52 V HA 0.166 4.306 4.120 0.033 0.000 0.267 52 V C -0.510 175.389 176.094 -0.325 0.000 1.051 52 V CA -0.961 61.005 62.300 -0.558 0.000 0.830 52 V CB -0.359 31.199 31.823 -0.441 0.000 1.080 52 V HN 0.567 nan 8.190 nan 0.000 0.467 53 W N 3.578 124.930 121.300 0.086 0.000 2.419 53 W HA 0.174 4.854 4.660 0.033 0.000 0.312 53 W C 1.008 177.645 176.519 0.195 0.000 1.323 53 W CA -0.331 57.072 57.345 0.097 0.000 1.293 53 W CB 0.516 30.060 29.460 0.140 0.000 1.324 53 W HN 0.743 nan 8.180 nan 0.000 0.512 54 W N 3.209 124.552 121.300 0.072 0.000 2.321 54 W HA -0.186 4.494 4.660 0.032 0.000 0.306 54 W C 1.946 178.552 176.519 0.146 0.000 1.217 54 W CA 2.371 59.699 57.345 -0.028 0.000 1.257 54 W CB -0.934 28.438 29.460 -0.148 0.000 1.145 54 W HN 0.431 nan 8.180 nan 0.000 0.509 55 G N 0.253 109.148 108.800 0.158 0.000 2.470 55 G HA2 -0.191 3.789 3.960 0.033 0.000 0.220 55 G HA3 -0.191 3.789 3.960 0.033 0.000 0.220 55 G C 1.604 176.538 174.900 0.057 0.000 1.121 55 G CA 1.071 46.141 45.100 -0.050 0.000 0.766 55 G HN 0.338 nan 8.290 nan 0.000 0.553 56 L N -0.192 121.157 121.223 0.209 0.000 2.084 56 L HA 0.025 4.385 4.340 0.033 0.000 0.202 56 L C 2.869 179.855 176.870 0.193 0.000 1.074 56 L CA 0.391 55.360 54.840 0.214 0.000 0.757 56 L CB -0.437 41.832 42.059 0.350 0.000 0.918 56 L HN 0.066 nan 8.230 nan 0.000 0.444 57 V N -0.622 119.437 119.914 0.243 0.000 2.407 57 V HA -0.166 3.974 4.120 0.033 0.000 0.245 57 V C 1.662 177.833 176.094 0.128 0.000 1.041 57 V CA 1.325 63.665 62.300 0.065 0.000 1.040 57 V CB -0.177 31.521 31.823 -0.207 0.000 0.671 57 V HN 0.382 nan 8.190 nan 0.000 0.455 58 E N -0.086 120.312 120.200 0.330 0.000 2.511 58 E HA 0.199 4.569 4.350 0.033 0.000 0.214 58 E C 1.723 178.481 176.600 0.263 0.000 1.062 58 E CA 0.242 56.840 56.400 0.330 0.000 1.213 58 E CB 0.314 30.417 29.700 0.672 0.000 1.214 58 E HN 0.514 nan 8.360 nan 0.000 0.441 59 G N 1.037 109.924 108.800 0.146 0.000 2.448 59 G HA2 -0.248 3.732 3.960 0.033 0.000 0.218 59 G HA3 -0.248 3.732 3.960 0.033 0.000 0.218 59 G C 1.469 176.486 174.900 0.195 0.000 1.135 59 G CA 0.394 45.566 45.100 0.119 0.000 0.784 59 G HN 0.195 nan 8.290 nan 0.000 0.543 60 K N -0.168 120.300 120.400 0.112 0.000 2.057 60 K HA 0.218 4.558 4.320 0.033 0.000 0.206 60 K C 1.026 177.600 176.600 -0.044 0.000 1.050 60 K CA 1.050 57.356 56.287 0.032 0.000 0.935 60 K CB -0.088 32.394 32.500 -0.031 0.000 0.715 60 K HN 0.374 nan 8.250 nan 0.000 0.439 61 G N -0.290 108.382 108.800 -0.214 0.000 2.316 61 G HA2 0.153 4.133 3.960 0.033 0.000 0.296 61 G HA3 0.153 4.133 3.960 0.033 0.000 0.296 61 G C -3.138 171.183 174.900 -0.966 0.000 1.399 61 G CA -1.186 43.429 45.100 -0.809 0.000 0.833 61 G HN -0.175 nan 8.290 nan 0.000 0.565 62 P HA 0.213 nan 4.420 nan 0.000 0.263 62 P C 0.141 177.158 177.300 -0.472 0.000 1.195 62 P CA 0.506 63.069 63.100 -0.896 0.000 0.762 62 P CB 0.410 31.652 31.700 -0.763 0.000 0.799 63 K N 0.839 120.979 120.400 -0.432 0.000 3.407 63 K HA -0.221 4.119 4.320 0.033 0.000 0.312 63 K C 0.283 176.494 176.600 -0.649 0.000 1.302 63 K CA 1.009 56.914 56.287 -0.636 0.000 0.931 63 K CB -2.087 30.309 32.500 -0.174 0.000 1.257 63 K HN 0.577 nan 8.250 nan 0.000 0.454 64 A N 1.285 123.801 122.820 -0.505 0.000 3.118 64 A HA 0.317 4.657 4.320 0.033 0.000 0.256 64 A C -0.434 177.022 177.584 -0.213 0.000 1.667 64 A CA -0.271 51.606 52.037 -0.268 0.000 1.338 64 A CB -0.536 18.349 19.000 -0.192 0.000 1.127 64 A HN 0.236 nan 8.150 nan 0.000 0.634 65 Y N 0.454 120.754 120.300 -0.001 0.000 2.465 65 Y HA 0.288 4.858 4.550 0.033 0.000 0.331 65 Y C 0.597 176.348 175.900 -0.248 0.000 1.102 65 Y CA -0.318 57.675 58.100 -0.178 0.000 1.358 65 Y CB 0.613 38.967 38.460 -0.177 0.000 1.213 65 Y HN 0.457 nan 8.280 nan 0.000 0.525 66 D N 3.401 123.687 120.400 -0.190 0.000 2.464 66 D HA 0.140 4.800 4.640 0.033 0.000 0.243 66 D C -0.716 175.507 176.300 -0.128 0.000 1.104 66 D CA -0.723 53.227 54.000 -0.084 0.000 0.883 66 D CB 0.108 40.904 40.800 -0.006 0.000 1.050 66 D HN 0.601 nan 8.370 nan 0.000 0.524 67 W N 2.240 123.625 121.300 0.143 0.000 3.353 67 W HA 0.079 4.759 4.660 0.033 0.000 0.304 67 W C 2.048 178.602 176.519 0.058 0.000 1.273 67 W CA -0.400 57.007 57.345 0.104 0.000 1.773 67 W CB 0.325 29.796 29.460 0.020 0.000 1.095 67 W HN 0.270 nan 8.180 nan 0.000 0.676 68 S N 1.079 116.912 115.700 0.221 0.000 2.359 68 S HA -0.254 4.236 4.470 0.033 0.000 0.224 68 S C 2.146 176.794 174.600 0.079 0.000 1.035 68 S CA 1.673 59.957 58.200 0.140 0.000 1.018 68 S CB -0.711 62.553 63.200 0.106 0.000 0.876 68 S HN 0.345 nan 8.310 nan 0.000 0.448 69 A N 0.478 123.328 122.820 0.049 0.000 1.898 69 A HA -0.047 4.293 4.320 0.033 0.000 0.216 69 A C 1.927 179.346 177.584 -0.275 0.000 1.181 69 A CA 1.272 53.274 52.037 -0.059 0.000 0.620 69 A CB -0.946 18.010 19.000 -0.072 0.000 0.819 69 A HN 0.519 nan 8.150 nan 0.000 0.442 70 Y N 0.398 120.625 120.300 -0.121 0.000 2.224 70 Y HA -0.147 4.423 4.550 0.033 0.000 0.289 70 Y C 2.410 177.884 175.900 -0.711 0.000 1.146 70 Y CA 1.742 59.585 58.100 -0.429 0.000 1.182 70 Y CB -0.111 38.156 38.460 -0.321 0.000 0.983 70 Y HN 0.239 nan 8.280 nan 0.000 0.524 71 K N -0.078 120.188 120.400 -0.223 0.000 2.097 71 K HA -0.207 4.133 4.320 0.033 0.000 0.205 71 K C 1.992 178.534 176.600 -0.097 0.000 1.050 71 K CA 1.457 57.673 56.287 -0.119 0.000 0.938 71 K CB -0.206 32.350 32.500 0.093 0.000 0.718 71 K HN 0.477 nan 8.250 nan 0.000 0.442 72 Q N 0.604 120.311 119.800 -0.154 0.000 2.079 72 Q HA -0.120 4.240 4.340 0.033 0.000 0.200 72 Q C 2.146 177.859 176.000 -0.477 0.000 0.974 72 Q CA 0.856 56.554 55.803 -0.175 0.000 0.840 72 Q CB -0.090 28.615 28.738 -0.055 0.000 0.898 72 Q HN 0.226 nan 8.270 nan 0.000 0.430 73 L N 0.238 120.936 121.223 -0.876 0.000 2.012 73 L HA -0.190 4.170 4.340 0.033 0.000 0.210 73 L C 2.045 178.803 176.870 -0.186 0.000 1.073 73 L CA 1.966 56.316 54.840 -0.816 0.000 0.748 73 L CB -0.790 40.905 42.059 -0.606 0.000 0.891 73 L HN 0.204 nan 8.230 nan 0.000 0.431 74 F N 0.851 120.545 119.950 -0.426 0.000 2.134 74 F HA -0.176 4.371 4.527 0.033 0.000 0.299 74 F C 2.754 178.265 175.800 -0.483 0.000 1.097 74 F CA 1.241 58.867 58.000 -0.623 0.000 1.264 74 F CB -1.088 37.159 39.000 -1.255 0.000 1.001 74 F HN 0.329 nan 8.300 nan 0.000 0.479 75 E N 0.277 120.465 120.200 -0.022 0.000 2.077 75 E HA -0.236 4.134 4.350 0.033 0.000 0.193 75 E C 2.275 178.947 176.600 0.120 0.000 0.989 75 E CA 0.929 57.460 56.400 0.219 0.000 0.800 75 E CB -0.262 29.588 29.700 0.249 0.000 0.746 75 E HN 0.249 nan 8.360 nan 0.000 0.452 76 L N 0.371 121.629 121.223 0.059 0.000 2.046 76 L HA -0.161 4.199 4.340 0.033 0.000 0.208 76 L C 2.325 179.240 176.870 0.074 0.000 1.077 76 L CA 1.301 56.195 54.840 0.090 0.000 0.747 76 L CB -0.426 41.717 42.059 0.141 0.000 0.896 76 L HN 0.062 nan 8.230 nan 0.000 0.432 77 V N -0.566 119.371 119.914 0.039 0.000 2.343 77 V HA -0.344 3.796 4.120 0.033 0.000 0.247 77 V C 2.518 178.629 176.094 0.030 0.000 1.051 77 V CA 2.002 64.317 62.300 0.025 0.000 1.036 77 V CB -0.685 31.122 31.823 -0.026 0.000 0.654 77 V HN 0.646 nan 8.190 nan 0.000 0.451 78 Q N 0.298 120.128 119.800 0.049 0.000 2.050 78 Q HA -0.249 4.111 4.340 0.033 0.000 0.202 78 Q C 2.209 178.256 176.000 0.078 0.000 0.980 78 Q CA 1.825 57.683 55.803 0.091 0.000 0.840 78 Q CB -0.108 28.754 28.738 0.208 0.000 0.898 78 Q HN 0.568 nan 8.270 nan 0.000 0.424 79 K N -0.428 120.024 120.400 0.086 0.000 2.442 79 K HA -0.029 4.311 4.320 0.033 0.000 0.198 79 K C 1.534 178.167 176.600 0.056 0.000 1.042 79 K CA 0.657 56.987 56.287 0.072 0.000 0.958 79 K CB 0.116 32.664 32.500 0.080 0.000 0.766 79 K HN 0.237 nan 8.250 nan 0.000 0.474 80 A N 0.359 123.211 122.820 0.054 0.000 2.251 80 A HA 0.196 4.536 4.320 0.033 0.000 0.209 80 A C 1.362 178.965 177.584 0.032 0.000 1.187 80 A CA 0.677 52.742 52.037 0.045 0.000 0.823 80 A CB -0.186 18.845 19.000 0.051 0.000 0.846 80 A HN 0.356 nan 8.150 nan 0.000 0.486 81 G N -1.168 107.647 108.800 0.026 0.000 2.143 81 G HA2 -0.213 3.767 3.960 0.033 0.000 0.248 81 G HA3 -0.213 3.767 3.960 0.033 0.000 0.248 81 G C -0.010 174.888 174.900 -0.004 0.000 0.991 81 G CA 0.461 45.565 45.100 0.007 0.000 0.689 81 G HN 0.446 nan 8.290 nan 0.000 0.522 82 L N -0.155 121.070 121.223 0.004 0.000 2.334 82 L HA 0.530 4.890 4.340 0.033 0.000 0.275 82 L C 0.966 177.834 176.870 -0.002 0.000 1.036 82 L CA -1.033 53.803 54.840 -0.006 0.000 0.807 82 L CB 1.305 43.370 42.059 0.010 0.000 1.231 82 L HN 0.034 nan 8.230 nan 0.000 0.438 83 K N 2.020 122.423 120.400 0.004 0.000 2.149 83 K HA 0.547 4.887 4.320 0.033 0.000 0.245 83 K C -0.931 175.732 176.600 0.106 0.000 1.024 83 K CA -0.391 55.936 56.287 0.066 0.000 0.899 83 K CB 0.947 33.539 32.500 0.154 0.000 1.038 83 K HN 0.319 nan 8.250 nan 0.000 0.496 84 L N 0.808 122.068 121.223 0.061 0.000 2.464 84 L HA 0.226 4.586 4.340 0.033 0.000 0.266 84 L C -1.544 175.264 176.870 -0.103 0.000 0.965 84 L CA -0.351 54.461 54.840 -0.046 0.000 0.833 84 L CB 1.954 43.837 42.059 -0.293 0.000 1.296 84 L HN 0.551 nan 8.230 nan 0.000 0.405 85 Q N 3.759 123.483 119.800 -0.126 0.000 2.322 85 Q HA 0.730 5.090 4.340 0.033 0.000 0.265 85 Q C -0.872 175.008 176.000 -0.200 0.000 0.985 85 Q CA -0.746 54.929 55.803 -0.214 0.000 0.849 85 Q CB 2.291 30.838 28.738 -0.318 0.000 1.274 85 Q HN 0.700 nan 8.270 nan 0.000 0.449 86 A N 3.868 126.550 122.820 -0.230 0.000 2.303 86 A HA 0.598 4.938 4.320 0.033 0.000 0.320 86 A C -0.485 176.918 177.584 -0.303 0.000 1.192 86 A CA -0.646 51.252 52.037 -0.231 0.000 0.821 86 A CB 0.441 19.327 19.000 -0.190 0.000 1.188 86 A HN 0.759 nan 8.150 nan 0.000 0.492 87 I N 3.420 123.815 120.570 -0.292 0.000 2.331 87 I HA 0.191 4.381 4.170 0.033 0.000 0.292 87 I C -0.012 175.851 176.117 -0.423 0.000 0.998 87 I CA -0.393 60.713 61.300 -0.322 0.000 1.267 87 I CB 1.378 39.211 38.000 -0.277 0.000 1.386 87 I HN 0.505 nan 8.210 nan 0.000 0.476 88 M N 5.224 124.555 119.600 -0.448 0.000 2.557 88 M HA 0.142 4.642 4.480 0.033 0.000 0.328 88 M C -0.088 175.713 176.300 -0.831 0.000 1.423 88 M CA 0.293 55.210 55.300 -0.638 0.000 1.418 88 M CB -0.359 31.921 32.600 -0.533 0.000 1.381 88 M HN 0.415 nan 8.290 nan 0.000 0.467 89 S N 3.603 118.859 115.700 -0.739 0.000 2.955 89 S HA 0.326 4.816 4.470 0.033 0.000 0.294 89 S C 0.208 174.589 174.600 -0.365 0.000 1.198 89 S CA -0.445 57.445 58.200 -0.517 0.000 1.008 89 S CB -0.510 62.162 63.200 -0.880 0.000 1.279 89 S HN 0.394 nan 8.310 nan 0.000 0.508 90 F N 3.968 123.948 119.950 0.050 0.000 2.843 90 F HA 0.206 4.753 4.527 0.033 0.000 0.290 90 F C 1.431 177.538 175.800 0.511 0.000 1.221 90 F CA -0.487 57.549 58.000 0.059 0.000 1.413 90 F CB -0.415 38.274 39.000 -0.518 0.000 1.019 90 F HN 0.563 nan 8.300 nan 0.000 0.512 91 H N -1.854 117.552 119.070 0.560 0.000 2.990 91 H HA 0.348 4.924 4.556 0.033 0.000 0.343 91 H C -1.026 174.568 175.328 0.444 0.000 1.270 91 H CA -1.235 55.130 56.048 0.528 0.000 1.118 91 H CB 0.962 30.981 29.762 0.428 0.000 1.861 91 H HN 0.129 nan 8.280 nan 0.000 0.544 92 Q N 0.858 120.866 119.800 0.347 0.000 2.314 92 Q HA 0.307 4.667 4.340 0.033 0.000 0.258 92 Q C -0.762 175.271 176.000 0.054 0.000 0.954 92 Q CA -0.483 55.384 55.803 0.108 0.000 0.890 92 Q CB 0.756 29.547 28.738 0.089 0.000 1.210 92 Q HN 0.586 nan 8.270 nan 0.000 0.410 93 C N 4.933 124.003 119.300 -0.383 0.000 2.347 93 C HA 0.767 5.247 4.460 0.033 0.000 0.353 93 C C 0.997 175.855 174.990 -0.220 0.000 1.273 93 C CA 1.022 59.742 59.018 -0.497 0.000 1.861 93 C CB -1.105 25.837 27.740 -1.331 0.000 2.420 93 C HN 1.111 nan 8.230 nan 0.000 0.542 94 G N 4.085 112.849 108.800 -0.061 0.000 2.539 94 G HA2 0.292 4.272 3.960 0.033 0.000 0.256 94 G HA3 0.292 4.272 3.960 0.033 0.000 0.256 94 G C 0.954 175.849 174.900 -0.009 0.000 1.233 94 G CA 0.666 45.747 45.100 -0.032 0.000 0.936 94 G HN 2.594 nan 8.290 nan 0.000 0.571 95 G N -1.661 107.131 108.800 -0.013 0.000 2.179 95 G HA2 -0.224 3.756 3.960 0.033 0.000 0.260 95 G HA3 -0.224 3.756 3.960 0.033 0.000 0.260 95 G C 0.268 175.192 174.900 0.041 0.000 0.977 95 G CA 1.265 46.374 45.100 0.015 0.000 0.641 95 G HN 1.478 nan 8.290 nan 0.000 0.533 96 N N -0.327 118.390 118.700 0.027 0.000 2.489 96 N HA 0.514 5.274 4.740 0.033 0.000 0.284 96 N C 0.577 176.079 175.510 -0.013 0.000 1.158 96 N CA -0.490 52.568 53.050 0.014 0.000 0.965 96 N CB 1.439 39.947 38.487 0.035 0.000 1.195 96 N HN 0.080 nan 8.380 nan 0.000 0.506 97 V N 1.092 120.982 119.914 -0.040 0.000 2.584 97 V HA 0.137 4.277 4.120 0.033 0.000 0.303 97 V C 1.527 177.607 176.094 -0.024 0.000 1.035 97 V CA 1.489 63.763 62.300 -0.043 0.000 1.172 97 V CB -0.140 31.646 31.823 -0.062 0.000 0.896 97 V HN 1.003 nan 8.190 nan 0.000 0.486 98 G N 3.885 112.672 108.800 -0.021 0.000 2.179 98 G HA2 -0.208 3.772 3.960 0.033 0.000 0.260 98 G HA3 -0.208 3.772 3.960 0.033 0.000 0.260 98 G C -0.041 174.854 174.900 -0.008 0.000 0.977 98 G CA 0.090 45.181 45.100 -0.014 0.000 0.641 98 G HN 0.707 nan 8.290 nan 0.000 0.533 99 D N 0.370 120.766 120.400 -0.006 0.000 2.417 99 D HA 0.520 5.180 4.640 0.033 0.000 0.250 99 D C 1.353 177.646 176.300 -0.011 0.000 1.166 99 D CA 0.662 54.660 54.000 -0.003 0.000 0.881 99 D CB 1.246 42.044 40.800 -0.003 0.000 1.164 99 D HN 0.383 nan 8.370 nan 0.000 0.467 100 A N 2.751 125.568 122.820 -0.006 0.000 1.975 100 A HA 0.055 4.395 4.320 0.033 0.000 0.215 100 A C 0.816 178.387 177.584 -0.022 0.000 1.170 100 A CA 0.437 52.468 52.037 -0.010 0.000 0.656 100 A CB 0.480 19.481 19.000 0.001 0.000 0.821 100 A HN 0.392 nan 8.150 nan 0.000 0.449 101 V N 2.255 122.152 119.914 -0.029 0.000 2.357 101 V HA 0.319 4.459 4.120 0.033 0.000 0.284 101 V C -1.190 174.833 176.094 -0.118 0.000 1.018 101 V CA -0.897 61.365 62.300 -0.063 0.000 0.841 101 V CB 1.214 33.011 31.823 -0.043 0.000 0.991 101 V HN 0.414 nan 8.190 nan 0.000 0.437 102 N N 6.127 124.745 118.700 -0.137 0.000 2.491 102 N HA 0.587 5.347 4.740 0.033 0.000 0.274 102 N C -1.087 174.299 175.510 -0.207 0.000 1.023 102 N CA -0.223 52.735 53.050 -0.153 0.000 0.902 102 N CB 2.573 41.006 38.487 -0.090 0.000 1.267 102 N HN 0.541 nan 8.380 nan 0.000 0.503 103 I N 3.141 123.523 120.570 -0.313 0.000 2.542 103 I HA 0.280 4.470 4.170 0.033 0.000 0.278 103 I C -2.314 173.641 176.117 -0.270 0.000 1.069 103 I CA -1.740 59.355 61.300 -0.342 0.000 1.100 103 I CB 2.395 40.041 38.000 -0.590 0.000 1.204 103 I HN 0.118 nan 8.210 nan 0.000 0.470 104 P HA 0.246 nan 4.420 nan 0.000 0.274 104 P C 0.092 177.317 177.300 -0.125 0.000 1.256 104 P CA -0.330 62.700 63.100 -0.117 0.000 0.795 104 P CB 1.020 32.658 31.700 -0.103 0.000 1.038 105 I N -2.643 117.860 120.570 -0.112 0.000 3.194 105 I HA 0.250 4.440 4.170 0.033 0.000 0.283 105 I C -2.330 173.501 176.117 -0.476 0.000 1.199 105 I CA -2.257 58.874 61.300 -0.283 0.000 1.328 105 I CB -1.095 36.774 38.000 -0.219 0.000 1.404 105 I HN 0.095 nan 8.210 nan 0.000 0.618 106 P HA -0.032 nan 4.420 nan 0.000 0.264 106 P C 0.029 176.973 177.300 -0.594 0.000 1.183 106 P CA 0.169 62.821 63.100 -0.746 0.000 0.763 106 P CB 0.608 31.597 31.700 -1.185 0.000 0.807 107 Q N 3.870 123.497 119.800 -0.288 0.000 2.096 107 Q HA -0.172 4.188 4.340 0.033 0.000 0.204 107 Q C 1.602 177.555 176.000 -0.079 0.000 0.982 107 Q CA 1.691 57.418 55.803 -0.127 0.000 0.850 107 Q CB -0.290 28.441 28.738 -0.011 0.000 0.901 107 Q HN 0.685 nan 8.270 nan 0.000 0.422 108 W N -0.637 120.648 121.300 -0.025 0.000 2.392 108 W HA -0.073 4.608 4.660 0.035 0.000 0.279 108 W C 1.290 177.862 176.519 0.088 0.000 1.225 108 W CA 0.558 57.932 57.345 0.048 0.000 1.233 108 W CB -0.709 28.782 29.460 0.052 0.000 1.122 108 W HN -0.002 nan 8.180 nan 0.000 0.561 109 V N 2.367 121.803 119.914 -0.797 0.000 2.323 109 V HA -0.240 3.900 4.120 0.033 0.000 0.244 109 V C 2.824 178.840 176.094 -0.130 0.000 1.041 109 V CA 2.170 64.123 62.300 -0.577 0.000 1.025 109 V CB -0.833 30.360 31.823 -1.050 0.000 0.656 109 V HN 0.060 nan 8.190 nan 0.000 0.451 110 R N 0.035 120.460 120.500 -0.124 0.000 2.120 110 R HA -0.159 4.201 4.340 0.033 0.000 0.234 110 R C 2.005 178.379 176.300 0.122 0.000 1.123 110 R CA 1.509 57.668 56.100 0.100 0.000 0.975 110 R CB -0.427 29.927 30.300 0.089 0.000 0.866 110 R HN 0.523 nan 8.270 nan 0.000 0.446 111 D N 0.237 120.693 120.400 0.093 0.000 2.182 111 D HA -0.129 4.531 4.640 0.033 0.000 0.201 111 D C 1.851 178.205 176.300 0.091 0.000 0.986 111 D CA 1.035 55.104 54.000 0.115 0.000 0.847 111 D CB -0.083 40.812 40.800 0.158 0.000 0.942 111 D HN 0.031 nan 8.370 nan 0.000 0.467 112 V N 0.920 120.875 119.914 0.070 0.000 2.469 112 V HA -0.191 3.949 4.120 0.033 0.000 0.251 112 V C 2.489 178.558 176.094 -0.041 0.000 1.064 112 V CA 1.889 64.168 62.300 -0.035 0.000 1.066 112 V CB -0.914 30.829 31.823 -0.132 0.000 0.667 112 V HN 0.250 nan 8.190 nan 0.000 0.461 113 G N -0.779 108.031 108.800 0.016 0.000 2.509 113 G HA2 -0.179 3.801 3.960 0.033 0.000 0.218 113 G HA3 -0.179 3.801 3.960 0.033 0.000 0.218 113 G C 1.588 176.567 174.900 0.131 0.000 1.124 113 G CA 1.239 46.383 45.100 0.074 0.000 0.776 113 G HN 0.480 nan 8.290 nan 0.000 0.547 114 T N 0.719 115.333 114.554 0.100 0.000 2.708 114 T HA -0.055 4.315 4.350 0.033 0.000 0.266 114 T C 2.427 177.161 174.700 0.057 0.000 1.037 114 T CA 0.854 63.004 62.100 0.083 0.000 1.146 114 T CB -0.030 68.880 68.868 0.070 0.000 0.865 114 T HN 0.127 nan 8.240 nan 0.000 0.435 115 R N 0.956 121.475 120.500 0.032 0.000 2.254 115 R HA 0.233 4.593 4.340 0.033 0.000 0.195 115 R C 0.097 176.404 176.300 0.012 0.000 0.957 115 R CA 0.273 56.383 56.100 0.018 0.000 1.024 115 R CB -0.092 30.209 30.300 0.003 0.000 0.952 115 R HN 0.263 nan 8.270 nan 0.000 0.484 116 D N 0.624 121.028 120.400 0.006 0.000 2.468 116 D HA 0.181 4.841 4.640 0.033 0.000 0.272 116 D C -1.939 174.379 176.300 0.031 0.000 1.221 116 D CA -2.014 51.992 54.000 0.011 0.000 0.860 116 D CB 1.407 42.191 40.800 -0.028 0.000 1.190 116 D HN -0.093 nan 8.370 nan 0.000 0.509 117 P HA -0.002 nan 4.420 nan 0.000 0.230 117 P C 0.375 177.795 177.300 0.201 0.000 1.158 117 P CA 0.420 63.633 63.100 0.188 0.000 0.769 117 P CB 0.546 32.361 31.700 0.192 0.000 0.807 118 D N 0.413 120.905 120.400 0.154 0.000 2.352 118 D HA 0.008 4.668 4.640 0.033 0.000 0.232 118 D C 1.803 178.241 176.300 0.230 0.000 1.055 118 D CA 0.275 54.407 54.000 0.219 0.000 0.891 118 D CB -0.037 40.855 40.800 0.153 0.000 0.897 118 D HN 0.383 nan 8.370 nan 0.000 0.529 119 I N -2.850 117.695 120.570 -0.042 0.000 3.001 119 I HA -0.020 4.170 4.170 0.033 0.000 0.268 119 I C -0.108 175.785 176.117 -0.373 0.000 1.267 119 I CA 0.510 61.650 61.300 -0.265 0.000 1.472 119 I CB -0.224 37.544 38.000 -0.386 0.000 1.089 119 I HN -0.313 nan 8.210 nan 0.000 0.468 120 F N 0.542 120.549 119.950 0.095 0.000 2.450 120 F HA 0.494 5.041 4.527 0.033 0.000 0.332 120 F C -0.010 175.882 175.800 0.153 0.000 1.093 120 F CA -1.299 56.749 58.000 0.080 0.000 1.003 120 F CB 0.349 39.417 39.000 0.113 0.000 1.151 120 F HN -0.216 nan 8.300 nan 0.000 0.474 121 Y N 1.059 121.596 120.300 0.396 0.000 2.810 121 Y HA 0.183 4.753 4.550 0.034 0.000 0.332 121 Y C 0.797 176.890 175.900 0.320 0.000 1.243 121 Y CA 0.283 58.588 58.100 0.341 0.000 1.537 121 Y CB -0.210 38.441 38.460 0.317 0.000 1.265 121 Y HN 0.440 nan 8.280 nan 0.000 0.572 122 T N 3.885 118.740 114.554 0.502 0.000 2.886 122 T HA 0.304 4.674 4.350 0.033 0.000 0.292 122 T C -0.717 174.214 174.700 0.386 0.000 1.012 122 T CA -1.103 61.229 62.100 0.386 0.000 0.982 122 T CB 1.267 70.354 68.868 0.366 0.000 1.018 122 T HN 0.570 nan 8.240 nan 0.000 0.451 123 D N 0.962 121.520 120.400 0.263 0.000 0.000 123 D HA 0.372 5.032 4.640 0.033 0.000 0.000 123 D C 1.545 177.707 176.300 -0.231 0.000 0.000 123 D CA -0.598 53.495 54.000 0.157 0.000 0.000 123 D CB 0.197 41.118 40.800 0.202 0.000 0.000 123 D HN 0.549 nan 8.370 nan 0.000 0.000 124 G N -1.772 106.629 108.800 -0.665 0.000 2.598 124 G HA2 -0.179 3.801 3.960 0.033 0.000 0.215 124 G HA3 -0.179 3.801 3.960 0.033 0.000 0.215 124 G C 0.801 175.257 174.900 -0.739 0.000 1.131 124 G CA 0.507 44.810 45.100 -1.328 0.000 0.785 124 G HN 0.598 nan 8.290 nan 0.000 0.539 125 H N -1.013 117.918 119.070 -0.232 0.000 2.529 125 H HA 0.362 4.916 4.556 -0.002 0.000 0.277 125 H C 1.913 177.217 175.328 -0.040 0.000 1.004 125 H CA 0.385 56.374 56.048 -0.100 0.000 1.167 125 H CB 0.628 30.373 29.762 -0.028 0.000 1.445 125 H HN 0.334 nan 8.280 nan 0.000 0.554 126 G N 0.289 109.113 108.800 0.039 0.000 2.176 126 G HA2 -0.293 3.687 3.960 0.033 0.000 0.232 126 G HA3 -0.293 3.687 3.960 0.033 0.000 0.232 126 G C 0.434 175.405 174.900 0.118 0.000 0.986 126 G CA 0.181 45.333 45.100 0.086 0.000 0.643 126 G HN 0.355 nan 8.290 nan 0.000 0.522 127 T N 3.130 117.762 114.554 0.129 0.000 2.834 127 T HA 0.460 4.830 4.350 0.033 0.000 0.298 127 T C 0.594 175.365 174.700 0.118 0.000 0.966 127 T CA -0.092 62.071 62.100 0.105 0.000 1.141 127 T CB 0.747 69.680 68.868 0.108 0.000 0.905 127 T HN 0.279 nan 8.240 nan 0.000 0.535 128 R N 3.665 124.209 120.500 0.074 0.000 2.254 128 R HA 0.261 4.621 4.340 0.033 0.000 0.318 128 R C 0.183 176.459 176.300 -0.040 0.000 1.031 128 R CA -0.582 55.569 56.100 0.085 0.000 0.905 128 R CB 0.260 30.602 30.300 0.069 0.000 1.050 128 R HN 0.528 nan 8.270 nan 0.000 0.456 129 N N 3.586 122.318 118.700 0.053 0.000 2.414 129 N HA 0.059 4.819 4.740 0.033 0.000 0.256 129 N C 0.406 175.849 175.510 -0.112 0.000 1.029 129 N CA -0.337 52.711 53.050 -0.003 0.000 0.948 129 N CB 0.912 39.487 38.487 0.147 0.000 1.102 129 N HN 0.443 nan 8.380 nan 0.000 0.496 130 I N 1.243 121.624 120.570 -0.315 0.000 3.861 130 I HA 0.243 4.433 4.170 0.033 0.000 0.329 130 I C 0.865 176.940 176.117 -0.070 0.000 1.321 130 I CA 0.248 61.218 61.300 -0.549 0.000 1.126 130 I CB -0.261 37.310 38.000 -0.716 0.000 1.018 130 I HN 0.434 nan 8.210 nan 0.000 0.407 131 E N 0.029 120.289 120.200 0.100 0.000 2.371 131 E HA 0.064 4.434 4.350 0.033 0.000 0.194 131 E C -0.535 176.314 176.600 0.414 0.000 1.012 131 E CA 0.497 57.028 56.400 0.218 0.000 0.860 131 E CB 0.190 30.014 29.700 0.206 0.000 0.811 131 E HN 0.564 nan 8.360 nan 0.000 0.502 132 Y N -0.571 119.900 120.300 0.284 0.000 2.662 132 Y HA 0.237 4.806 4.550 0.033 0.000 0.334 132 Y C -1.789 174.251 175.900 0.232 0.000 1.185 132 Y CA -0.983 57.294 58.100 0.294 0.000 1.074 132 Y CB 0.935 39.561 38.460 0.277 0.000 1.330 132 Y HN -0.255 nan 8.280 nan 0.000 0.458 133 L N 3.791 124.737 121.223 -0.462 0.000 2.305 133 L HA 0.324 4.684 4.340 0.033 0.000 0.281 133 L C 0.661 177.230 176.870 -0.502 0.000 1.085 133 L CA -0.567 54.045 54.840 -0.380 0.000 0.813 133 L CB 1.281 43.103 42.059 -0.394 0.000 1.157 133 L HN 0.760 nan 8.230 nan 0.000 0.436 134 T N 2.630 116.849 114.554 -0.558 0.000 2.946 134 T HA 0.006 4.376 4.350 0.033 0.000 0.312 134 T C 1.255 175.690 174.700 -0.441 0.000 1.066 134 T CA -0.366 61.187 62.100 -0.912 0.000 1.138 134 T CB 0.388 69.007 68.868 -0.415 0.000 1.014 134 T HN 0.520 nan 8.240 nan 0.000 0.544 135 L N 4.554 125.564 121.223 -0.355 0.000 2.261 135 L HA 0.215 4.575 4.340 0.033 0.000 0.216 135 L C 2.446 179.289 176.870 -0.044 0.000 1.114 135 L CA 1.996 56.715 54.840 -0.202 0.000 0.777 135 L CB -1.241 40.567 42.059 -0.418 0.000 0.910 135 L HN 0.701 nan 8.230 nan 0.000 0.440 136 G N 0.415 109.215 108.800 0.001 0.000 2.479 136 G HA2 -0.155 3.825 3.960 0.033 0.000 0.220 136 G HA3 -0.155 3.825 3.960 0.033 0.000 0.220 136 G C 1.294 176.126 174.900 -0.113 0.000 1.115 136 G CA 1.120 46.263 45.100 0.072 0.000 0.757 136 G HN 0.609 nan 8.290 nan 0.000 0.560 137 V N -2.774 117.007 119.914 -0.221 0.000 3.376 137 V HA 0.260 4.400 4.120 0.033 0.000 0.313 137 V C 1.320 177.325 176.094 -0.148 0.000 1.393 137 V CA 0.305 62.422 62.300 -0.306 0.000 1.125 137 V CB 0.331 31.950 31.823 -0.340 0.000 1.037 137 V HN -0.061 nan 8.190 nan 0.000 0.440 138 D N 2.521 122.871 120.400 -0.083 0.000 2.149 138 D HA -0.159 4.501 4.640 0.033 0.000 0.194 138 D C 1.348 177.602 176.300 -0.076 0.000 1.001 138 D CA 1.953 55.920 54.000 -0.054 0.000 0.849 138 D CB -0.061 40.777 40.800 0.064 0.000 0.939 138 D HN 0.563 nan 8.370 nan 0.000 0.449 139 N N 0.359 119.029 118.700 -0.050 0.000 2.235 139 N HA 0.030 4.790 4.740 0.033 0.000 0.231 139 N C -0.445 175.041 175.510 -0.041 0.000 1.177 139 N CA -0.027 53.003 53.050 -0.034 0.000 0.874 139 N CB 0.928 39.414 38.487 -0.001 0.000 1.097 139 N HN 0.175 nan 8.380 nan 0.000 0.518 140 Q N 1.369 121.119 119.800 -0.084 0.000 2.278 140 Q HA 0.288 4.648 4.340 0.033 0.000 0.257 140 Q C -2.234 173.716 176.000 -0.084 0.000 0.928 140 Q CA -1.556 54.180 55.803 -0.111 0.000 0.932 140 Q CB 2.086 30.660 28.738 -0.274 0.000 1.221 140 Q HN 0.103 nan 8.270 nan 0.000 0.434 141 P HA 0.141 nan 4.420 nan 0.000 0.220 141 P C 0.140 177.371 177.300 -0.115 0.000 1.806 141 P CA 0.114 63.192 63.100 -0.036 0.000 0.976 141 P CB -0.125 31.566 31.700 -0.013 0.000 1.952 142 L N -0.739 120.320 121.223 -0.274 0.000 2.554 142 L HA 0.227 4.587 4.340 0.033 0.000 0.225 142 L C 0.483 176.899 176.870 -0.755 0.000 1.104 142 L CA 0.388 54.869 54.840 -0.599 0.000 0.866 142 L CB -0.265 41.240 42.059 -0.924 0.000 1.047 142 L HN 0.015 nan 8.230 nan 0.000 0.468 143 F N 0.281 120.188 119.950 -0.071 0.000 2.319 143 F HA 0.370 4.916 4.527 0.032 0.000 0.356 143 F C 0.320 176.166 175.800 0.077 0.000 1.100 143 F CA -1.026 56.971 58.000 -0.006 0.000 1.220 143 F CB -0.380 38.691 39.000 0.119 0.000 1.506 143 F HN 0.060 nan 8.300 nan 0.000 0.512 144 H N 1.016 120.183 119.070 0.163 0.000 2.626 144 H HA -0.210 4.366 4.556 0.034 0.000 0.317 144 H C 1.522 176.892 175.328 0.069 0.000 1.140 144 H CA 0.900 56.999 56.048 0.086 0.000 1.134 144 H CB -1.177 28.618 29.762 0.055 0.000 1.486 144 H HN 0.983 nan 8.280 nan 0.000 0.417 145 G N -0.453 108.405 108.800 0.096 0.000 2.217 145 G HA2 -0.312 3.668 3.960 0.033 0.000 0.246 145 G HA3 -0.312 3.668 3.960 0.033 0.000 0.246 145 G C 0.468 175.420 174.900 0.086 0.000 0.990 145 G CA 0.362 45.505 45.100 0.072 0.000 0.627 145 G HN 0.552 nan 8.290 nan 0.000 0.522 146 R N 1.031 121.622 120.500 0.150 0.000 2.486 146 R HA 0.601 4.961 4.340 0.033 0.000 0.286 146 R C 0.868 177.276 176.300 0.179 0.000 0.999 146 R CA 0.213 56.402 56.100 0.148 0.000 0.993 146 R CB 1.343 31.751 30.300 0.180 0.000 1.084 146 R HN 0.453 nan 8.270 nan 0.000 0.487 147 S N 0.760 116.508 115.700 0.079 0.000 2.645 147 S HA 0.254 4.744 4.470 0.033 0.000 0.266 147 S C 1.213 175.748 174.600 -0.108 0.000 1.258 147 S CA -0.281 57.947 58.200 0.047 0.000 0.990 147 S CB 1.554 64.733 63.200 -0.036 0.000 0.967 147 S HN 0.695 nan 8.310 nan 0.000 0.556 148 A N 0.769 123.433 122.820 -0.260 0.000 1.902 148 A HA 0.012 4.352 4.320 0.033 0.000 0.217 148 A C 2.173 179.079 177.584 -1.130 0.000 1.181 148 A CA 1.634 53.189 52.037 -0.803 0.000 0.623 148 A CB -1.413 17.153 19.000 -0.724 0.000 0.818 148 A HN 0.786 nan 8.150 nan 0.000 0.443 149 V N -0.037 119.517 119.914 -0.601 0.000 2.343 149 V HA -0.329 3.811 4.120 0.033 0.000 0.247 149 V C 2.637 178.546 176.094 -0.308 0.000 1.051 149 V CA 2.287 64.350 62.300 -0.396 0.000 1.036 149 V CB -0.914 30.822 31.823 -0.145 0.000 0.654 149 V HN 0.642 nan 8.190 nan 0.000 0.451 150 Q N -0.936 118.733 119.800 -0.220 0.000 2.084 150 Q HA -0.182 4.178 4.340 0.033 0.000 0.202 150 Q C 2.317 178.259 176.000 -0.097 0.000 0.978 150 Q CA 1.664 57.407 55.803 -0.099 0.000 0.844 150 Q CB -0.217 28.504 28.738 -0.028 0.000 0.898 150 Q HN 0.581 nan 8.270 nan 0.000 0.426 151 M N -0.635 118.834 119.600 -0.219 0.000 2.117 151 M HA -0.188 4.312 4.480 0.033 0.000 0.262 151 M C 1.681 177.874 176.300 -0.177 0.000 1.065 151 M CA 1.399 56.627 55.300 -0.119 0.000 1.114 151 M CB -0.290 32.199 32.600 -0.185 0.000 1.361 151 M HN 0.232 nan 8.290 nan 0.000 0.408 152 Y N 0.217 120.208 120.300 -0.515 0.000 2.200 152 Y HA -0.066 4.504 4.550 0.033 0.000 0.290 152 Y C 2.752 178.566 175.900 -0.143 0.000 1.137 152 Y CA 0.891 58.533 58.100 -0.764 0.000 1.163 152 Y CB -1.660 36.160 38.460 -1.067 0.000 0.988 152 Y HN 0.210 nan 8.280 nan 0.000 0.518 153 A N 0.302 123.148 122.820 0.045 0.000 1.902 153 A HA -0.177 4.163 4.320 0.033 0.000 0.217 153 A C 1.945 179.601 177.584 0.121 0.000 1.181 153 A CA 2.018 54.100 52.037 0.075 0.000 0.623 153 A CB -0.753 18.262 19.000 0.026 0.000 0.818 153 A HN 0.346 nan 8.150 nan 0.000 0.443 154 D N -1.830 118.667 120.400 0.160 0.000 2.144 154 D HA -0.136 4.524 4.640 0.033 0.000 0.200 154 D C 1.660 178.117 176.300 0.262 0.000 0.978 154 D CA 1.393 55.530 54.000 0.228 0.000 0.833 154 D CB -0.427 40.564 40.800 0.319 0.000 0.961 154 D HN 0.632 nan 8.370 nan 0.000 0.470 155 Y N 0.912 121.348 120.300 0.226 0.000 2.145 155 Y HA -0.166 4.404 4.550 0.034 0.000 0.286 155 Y C 2.391 178.409 175.900 0.197 0.000 1.145 155 Y CA 1.498 59.733 58.100 0.224 0.000 1.148 155 Y CB -0.129 38.601 38.460 0.449 0.000 0.981 155 Y HN -0.145 nan 8.280 nan 0.000 0.507 156 M N -0.920 118.909 119.600 0.382 0.000 2.159 156 M HA -0.225 4.275 4.480 0.033 0.000 0.263 156 M C 1.954 178.238 176.300 -0.027 0.000 1.063 156 M CA 2.041 57.468 55.300 0.211 0.000 1.110 156 M CB -0.496 32.241 32.600 0.228 0.000 1.374 156 M HN 0.218 nan 8.290 nan 0.000 0.411 157 T N -0.259 114.262 114.554 -0.056 0.000 2.708 157 T HA -0.149 4.221 4.350 0.033 0.000 0.266 157 T C 1.968 176.586 174.700 -0.138 0.000 1.037 157 T CA 1.907 63.932 62.100 -0.125 0.000 1.146 157 T CB -0.290 68.549 68.868 -0.048 0.000 0.865 157 T HN 0.382 nan 8.240 nan 0.000 0.435 158 S N 0.275 115.888 115.700 -0.146 0.000 2.383 158 S HA -0.070 4.420 4.470 0.033 0.000 0.227 158 S C 1.737 176.117 174.600 -0.366 0.000 1.026 158 S CA 0.857 58.946 58.200 -0.185 0.000 0.981 158 S CB -0.559 62.403 63.200 -0.396 0.000 0.818 158 S HN 0.472 nan 8.310 nan 0.000 0.472 159 F N 2.792 122.399 119.950 -0.571 0.000 2.069 159 F HA -0.075 4.472 4.527 0.034 0.000 0.298 159 F C 2.488 177.958 175.800 -0.549 0.000 1.113 159 F CA 2.139 59.581 58.000 -0.929 0.000 1.214 159 F CB -0.502 38.169 39.000 -0.549 0.000 0.978 159 F HN 0.122 nan 8.300 nan 0.000 0.474 160 R N 0.529 120.902 120.500 -0.212 0.000 2.083 160 R HA -0.204 4.156 4.340 0.033 0.000 0.237 160 R C 2.135 178.230 176.300 -0.342 0.000 1.137 160 R CA 2.223 58.153 56.100 -0.283 0.000 0.951 160 R CB -0.495 29.561 30.300 -0.407 0.000 0.851 160 R HN 0.442 nan 8.270 nan 0.000 0.434 161 E N -0.031 119.997 120.200 -0.288 0.000 2.051 161 E HA -0.156 4.214 4.350 0.033 0.000 0.192 161 E C 1.915 178.358 176.600 -0.261 0.000 0.991 161 E CA 1.224 57.500 56.400 -0.208 0.000 0.799 161 E CB -0.123 29.500 29.700 -0.128 0.000 0.748 161 E HN 0.452 nan 8.360 nan 0.000 0.449 162 N N -0.037 118.410 118.700 -0.421 0.000 2.270 162 N HA -0.068 4.692 4.740 0.033 0.000 0.181 162 N C 1.095 176.368 175.510 -0.395 0.000 1.016 162 N CA 0.867 53.654 53.050 -0.438 0.000 0.870 162 N CB 0.154 38.206 38.487 -0.725 0.000 0.979 162 N HN 0.162 nan 8.380 nan 0.000 0.431 163 M N 0.478 119.768 119.600 -0.518 0.000 2.475 163 M HA 0.121 4.621 4.480 0.033 0.000 0.283 163 M C 1.546 177.740 176.300 -0.176 0.000 1.165 163 M CA -0.068 55.060 55.300 -0.287 0.000 0.976 163 M CB -0.052 32.146 32.600 -0.670 0.000 1.428 163 M HN 0.005 nan 8.290 nan 0.000 0.495 164 K N 1.494 121.767 120.400 -0.211 0.000 2.103 164 K HA -0.177 4.163 4.320 0.033 0.000 0.207 164 K C 1.445 177.995 176.600 -0.083 0.000 1.048 164 K CA 1.656 57.872 56.287 -0.118 0.000 0.930 164 K CB 0.245 32.710 32.500 -0.059 0.000 0.716 164 K HN 0.397 nan 8.250 nan 0.000 0.444 165 E N -0.549 119.525 120.200 -0.210 0.000 2.110 165 E HA -0.169 4.201 4.350 0.033 0.000 0.193 165 E C 1.830 178.283 176.600 -0.246 0.000 0.988 165 E CA 1.249 57.482 56.400 -0.279 0.000 0.804 165 E CB -0.120 29.316 29.700 -0.439 0.000 0.745 165 E HN 0.321 nan 8.360 nan 0.000 0.458 166 F N 0.604 120.532 119.950 -0.036 0.000 2.259 166 F HA -0.069 4.479 4.527 0.034 0.000 0.298 166 F C 2.059 177.841 175.800 -0.030 0.000 1.088 166 F CA 0.629 58.611 58.000 -0.031 0.000 1.358 166 F CB -0.393 38.589 39.000 -0.029 0.000 1.040 166 F HN -0.043 nan 8.300 nan 0.000 0.505 167 L N -0.267 121.033 121.223 0.127 0.000 1.994 167 L HA -0.217 4.143 4.340 0.033 0.000 0.208 167 L C 2.132 179.099 176.870 0.161 0.000 1.071 167 L CA 1.386 56.297 54.840 0.118 0.000 0.745 167 L CB -0.638 41.440 42.059 0.032 0.000 0.892 167 L HN 0.005 nan 8.230 nan 0.000 0.431 168 D N 0.060 120.547 120.400 0.144 0.000 2.178 168 D HA -0.124 4.536 4.640 0.033 0.000 0.201 168 D C 2.041 178.381 176.300 0.066 0.000 0.980 168 D CA 1.372 55.440 54.000 0.113 0.000 0.842 168 D CB 0.006 40.850 40.800 0.074 0.000 0.948 168 D HN 0.320 nan 8.370 nan 0.000 0.472 169 A N -0.209 122.641 122.820 0.050 0.000 2.235 169 A HA 0.349 4.689 4.320 0.033 0.000 0.208 169 A C 1.769 179.384 177.584 0.051 0.000 1.172 169 A CA 1.096 53.157 52.037 0.041 0.000 0.786 169 A CB -0.302 18.719 19.000 0.035 0.000 0.804 169 A HN 0.244 nan 8.150 nan 0.000 0.479 170 G N -1.682 107.159 108.800 0.068 0.000 2.143 170 G HA2 -0.270 3.710 3.960 0.033 0.000 0.248 170 G HA3 -0.270 3.710 3.960 0.033 0.000 0.248 170 G C 0.834 175.762 174.900 0.047 0.000 0.991 170 G CA 0.538 45.671 45.100 0.055 0.000 0.689 170 G HN 0.597 nan 8.290 nan 0.000 0.522 171 V N 0.242 120.197 119.914 0.069 0.000 2.273 171 V HA 0.175 4.315 4.120 0.033 0.000 0.242 171 V C 1.843 177.930 176.094 -0.012 0.000 1.035 171 V CA 1.607 63.933 62.300 0.044 0.000 1.013 171 V CB -0.186 31.700 31.823 0.105 0.000 0.652 171 V HN 0.458 nan 8.190 nan 0.000 0.452 172 I N 1.676 122.234 120.570 -0.019 0.000 2.379 172 I HA 0.094 4.284 4.170 0.033 0.000 0.290 172 I C 0.793 176.896 176.117 -0.023 0.000 1.063 172 I CA 0.161 61.416 61.300 -0.075 0.000 1.351 172 I CB 1.215 39.172 38.000 -0.072 0.000 1.410 172 I HN 0.158 nan 8.210 nan 0.000 0.505 173 V N 0.765 120.658 119.914 -0.034 0.000 3.502 173 V HA 0.394 4.534 4.120 0.033 0.000 0.288 173 V C -0.144 175.925 176.094 -0.042 0.000 1.461 173 V CA 0.098 62.400 62.300 0.003 0.000 1.029 173 V CB 0.330 32.192 31.823 0.065 0.000 0.843 173 V HN 0.758 nan 8.190 nan 0.000 0.438 174 D N -0.117 120.208 120.400 -0.124 0.000 2.927 174 D HA 0.525 5.185 4.640 0.033 0.000 0.219 174 D C -1.432 174.715 176.300 -0.256 0.000 1.248 174 D CA -0.392 53.505 54.000 -0.171 0.000 0.861 174 D CB 2.064 42.754 40.800 -0.183 0.000 1.677 174 D HN 0.027 nan 8.370 nan 0.000 0.511 175 I N 2.916 123.296 120.570 -0.318 0.000 2.411 175 I HA 0.294 4.484 4.170 0.033 0.000 0.284 175 I C -0.169 175.773 176.117 -0.292 0.000 1.012 175 I CA -0.621 60.433 61.300 -0.410 0.000 1.119 175 I CB 1.187 38.759 38.000 -0.713 0.000 1.261 175 I HN 0.548 nan 8.210 nan 0.000 0.448 176 E N 5.857 125.902 120.200 -0.259 0.000 2.146 176 E HA 0.429 4.799 4.350 0.033 0.000 0.282 176 E C -1.188 175.297 176.600 -0.193 0.000 0.989 176 E CA -0.504 55.779 56.400 -0.195 0.000 0.799 176 E CB 1.502 31.098 29.700 -0.174 0.000 1.088 176 E HN 0.362 nan 8.360 nan 0.000 0.397 177 V N 4.656 124.485 119.914 -0.141 0.000 2.348 177 V HA 0.323 4.463 4.120 0.033 0.000 0.270 177 V C 0.830 176.873 176.094 -0.086 0.000 1.037 177 V CA -0.477 61.763 62.300 -0.099 0.000 0.872 177 V CB 1.101 32.887 31.823 -0.061 0.000 1.002 177 V HN 0.801 nan 8.190 nan 0.000 0.464 178 G N 4.210 112.964 108.800 -0.075 0.000 2.365 178 G HA2 0.398 4.378 3.960 0.033 0.000 0.249 178 G HA3 0.398 4.378 3.960 0.033 0.000 0.249 178 G C 0.251 175.156 174.900 0.009 0.000 1.288 178 G CA -0.229 44.854 45.100 -0.029 0.000 0.887 178 G HN 0.751 nan 8.290 nan 0.000 0.524 179 L N 2.081 123.251 121.223 -0.089 0.000 3.184 179 L HA 0.433 4.793 4.340 0.033 0.000 0.283 179 L C 1.069 177.773 176.870 -0.277 0.000 1.218 179 L CA 0.255 55.054 54.840 -0.067 0.000 1.028 179 L CB 0.178 42.194 42.059 -0.072 0.000 1.400 179 L HN 0.831 nan 8.230 nan 0.000 0.591 180 G N -0.360 107.953 108.800 -0.812 0.000 2.321 180 G HA2 0.199 4.179 3.960 0.033 0.000 0.296 180 G HA3 0.199 4.179 3.960 0.033 0.000 0.296 180 G C -3.157 171.228 174.900 -0.859 0.000 1.287 180 G CA -0.682 43.588 45.100 -1.384 0.000 0.846 180 G HN -0.322 nan 8.290 nan 0.000 0.508 181 P HA 0.323 nan 4.420 nan 0.000 0.265 181 P C 0.783 177.899 177.300 -0.307 0.000 1.187 181 P CA 1.843 64.832 63.100 -0.185 0.000 0.766 181 P CB 1.151 32.791 31.700 -0.099 0.000 0.820 182 A N 2.838 125.471 122.820 -0.310 0.000 2.945 182 A HA -0.123 4.217 4.320 0.033 0.000 0.263 182 A C 1.472 178.653 177.584 -0.672 0.000 1.293 182 A CA 1.784 53.631 52.037 -0.316 0.000 0.944 182 A CB -2.572 16.379 19.000 -0.081 0.000 1.093 182 A HN 1.231 nan 8.150 nan 0.000 0.786 183 G N -2.005 106.061 108.800 -1.223 0.000 2.168 183 G HA2 -0.248 3.732 3.960 0.033 0.000 0.263 183 G HA3 -0.248 3.732 3.960 0.033 0.000 0.263 183 G C -0.171 174.546 174.900 -0.304 0.000 0.977 183 G CA 1.111 45.826 45.100 -0.642 0.000 0.659 183 G HN 1.222 nan 8.290 nan 0.000 0.533 184 E N -0.661 119.374 120.200 -0.276 0.000 2.214 184 E HA 0.513 4.883 4.350 0.033 0.000 0.274 184 E C 0.532 177.055 176.600 -0.130 0.000 0.977 184 E CA -0.880 55.446 56.400 -0.123 0.000 0.827 184 E CB 1.108 30.785 29.700 -0.038 0.000 1.130 184 E HN 0.258 nan 8.360 nan 0.000 0.394 185 M N 5.229 124.817 119.600 -0.020 0.000 3.042 185 M HA 0.083 4.583 4.480 0.033 0.000 0.283 185 M C -0.697 175.599 176.300 -0.007 0.000 1.473 185 M CA 0.492 55.792 55.300 -0.001 0.000 1.583 185 M CB -0.653 31.993 32.600 0.078 0.000 1.221 185 M HN 0.479 nan 8.290 nan 0.000 0.518 186 R N 1.863 122.232 120.500 -0.217 0.000 2.728 186 R HA 0.392 4.752 4.340 0.033 0.000 0.274 186 R C -1.960 174.025 176.300 -0.526 0.000 1.030 186 R CA -0.982 54.912 56.100 -0.343 0.000 0.876 186 R CB 0.834 31.028 30.300 -0.176 0.000 1.259 186 R HN 0.273 nan 8.270 nan 0.000 0.468 187 Y N 0.428 120.454 120.300 -0.457 0.000 2.316 187 Y HA 0.367 4.940 4.550 0.037 0.000 0.324 187 Y C -1.602 174.072 175.900 -0.376 0.000 1.267 187 Y CA -2.235 55.529 58.100 -0.560 0.000 1.311 187 Y CB 1.028 39.188 38.460 -0.500 0.000 1.267 187 Y HN 0.411 nan 8.280 nan 0.000 0.516 188 P HA 0.049 nan 4.420 nan 0.000 0.220 188 P C 0.015 177.243 177.300 -0.121 0.000 1.806 188 P CA 0.028 63.019 63.100 -0.182 0.000 0.976 188 P CB -0.112 31.564 31.700 -0.040 0.000 1.952 189 S N -0.142 115.495 115.700 -0.106 0.000 2.527 189 S HA -0.061 4.429 4.470 0.033 0.000 0.222 189 S C 0.613 175.239 174.600 0.044 0.000 0.985 189 S CA -0.014 58.218 58.200 0.053 0.000 0.921 189 S CB -0.939 62.303 63.200 0.069 0.000 0.772 189 S HN 0.375 nan 8.310 nan 0.000 0.529 190 Y N -0.106 119.987 120.300 -0.345 0.000 2.658 190 Y HA 0.613 5.181 4.550 0.030 0.000 0.362 190 Y C -3.232 172.344 175.900 -0.541 0.000 1.017 190 Y CA -3.844 53.649 58.100 -1.012 0.000 1.134 190 Y CB 0.220 37.611 38.460 -1.782 0.000 1.144 190 Y HN -0.021 nan 8.280 nan 0.000 0.655 191 P HA 0.047 nan 4.420 nan 0.000 0.247 191 P C -0.315 177.067 177.300 0.136 0.000 1.756 191 P CA 0.101 63.151 63.100 -0.082 0.000 1.117 191 P CB 0.786 32.404 31.700 -0.137 0.000 1.869 192 Q N 3.051 123.015 119.800 0.274 0.000 2.315 192 Q HA 0.063 4.423 4.340 0.033 0.000 0.289 192 Q C 0.812 176.890 176.000 0.129 0.000 1.044 192 Q CA 1.073 57.090 55.803 0.358 0.000 0.920 192 Q CB 0.196 29.176 28.738 0.402 0.000 1.214 192 Q HN 0.573 nan 8.270 nan 0.000 0.392 193 S N 1.569 117.296 115.700 0.045 0.000 2.981 193 S HA -0.286 4.204 4.470 0.033 0.000 0.274 193 S C -0.106 174.316 174.600 -0.295 0.000 1.297 193 S CA 1.854 59.988 58.200 -0.109 0.000 1.266 193 S CB -1.971 61.152 63.200 -0.128 0.000 1.542 193 S HN 0.938 nan 8.310 nan 0.000 0.674 194 H N 0.653 119.710 119.070 -0.022 0.000 2.467 194 H HA 0.533 5.107 4.556 0.031 0.000 0.275 194 H C 1.452 176.706 175.328 -0.123 0.000 1.131 194 H CA 0.487 56.499 56.048 -0.060 0.000 0.989 194 H CB 0.760 30.484 29.762 -0.064 0.000 1.696 194 H HN 0.832 nan 8.280 nan 0.000 0.574 195 G N -0.313 108.470 108.800 -0.029 0.000 2.227 195 G HA2 -0.213 3.767 3.960 0.033 0.000 0.168 195 G HA3 -0.213 3.767 3.960 0.033 0.000 0.168 195 G C -0.464 174.414 174.900 -0.036 0.000 1.006 195 G CA -0.488 44.575 45.100 -0.061 0.000 0.684 195 G HN 0.337 nan 8.290 nan 0.000 0.489 196 W N 1.975 123.142 121.300 -0.222 0.000 2.666 196 W HA 0.763 5.438 4.660 0.025 0.000 0.334 196 W C -0.379 176.137 176.519 -0.004 0.000 1.051 196 W CA -0.383 56.921 57.345 -0.069 0.000 1.224 196 W CB 2.086 31.521 29.460 -0.041 0.000 1.405 196 W HN 0.134 nan 8.180 nan 0.000 0.513 197 S N 5.244 120.480 115.700 -0.772 0.000 2.536 197 S HA 0.384 4.874 4.470 0.033 0.000 0.287 197 S C -1.083 172.507 174.600 -1.684 0.000 1.101 197 S CA -0.741 56.869 58.200 -0.984 0.000 0.950 197 S CB 1.155 64.081 63.200 -0.457 0.000 1.056 197 S HN 0.420 nan 8.310 nan 0.000 0.481 198 F N 5.327 124.227 119.950 -1.751 0.000 2.607 198 F HA 0.263 4.812 4.527 0.037 0.000 0.374 198 F C -1.574 173.820 175.800 -0.677 0.000 1.104 198 F CA -0.804 56.455 58.000 -1.234 0.000 1.296 198 F CB 0.686 39.202 39.000 -0.806 0.000 1.085 198 F HN 0.306 nan 8.300 nan 0.000 0.584 199 P HA 0.239 nan 4.420 nan 0.000 0.223 199 P C -0.130 177.090 177.300 -0.134 0.000 1.878 199 P CA -0.220 62.091 63.100 -1.314 0.000 1.038 199 P CB 0.193 30.915 31.700 -1.631 0.000 1.774 200 G N 1.330 110.072 108.800 -0.096 0.000 2.559 200 G HA2 0.107 4.087 3.960 0.033 0.000 0.235 200 G HA3 0.107 4.087 3.960 0.033 0.000 0.235 200 G C 1.212 176.565 174.900 0.755 0.000 1.266 200 G CA -0.616 44.669 45.100 0.309 0.000 0.847 200 G HN 0.383 nan 8.290 nan 0.000 0.583 201 I N -0.009 120.759 120.570 0.331 0.000 2.700 201 I HA 0.205 4.395 4.170 0.033 0.000 0.261 201 I C 1.293 177.452 176.117 0.070 0.000 1.219 201 I CA 0.628 61.936 61.300 0.013 0.000 1.463 201 I CB -0.961 36.680 38.000 -0.599 0.000 1.092 201 I HN 0.973 nan 8.210 nan 0.000 0.452 202 G N 1.293 110.280 108.800 0.313 0.000 2.741 202 G HA2 -0.195 3.785 3.960 0.033 0.000 0.222 202 G HA3 -0.195 3.785 3.960 0.033 0.000 0.222 202 G C -0.687 174.121 174.900 -0.154 0.000 1.364 202 G CA -0.128 45.101 45.100 0.215 0.000 0.866 202 G HN 0.607 nan 8.290 nan 0.000 0.555 203 E N -1.316 118.735 120.200 -0.248 0.000 2.393 203 E HA 0.540 4.910 4.350 0.033 0.000 0.273 203 E C -1.023 175.360 176.600 -0.363 0.000 0.918 203 E CA -0.892 55.239 56.400 -0.448 0.000 0.773 203 E CB 1.509 30.801 29.700 -0.680 0.000 1.275 203 E HN 0.291 nan 8.360 nan 0.000 0.451 204 F N 1.782 121.628 119.950 -0.173 0.000 2.504 204 F HA 0.132 4.675 4.527 0.028 0.000 0.369 204 F C 0.754 176.518 175.800 -0.061 0.000 1.082 204 F CA -0.339 57.491 58.000 -0.282 0.000 1.216 204 F CB 0.392 39.097 39.000 -0.492 0.000 1.108 204 F HN 0.260 nan 8.300 nan 0.000 0.554 205 I N 4.187 124.857 120.570 0.167 0.000 2.802 205 I HA 0.122 4.312 4.170 0.033 0.000 0.307 205 I C 0.271 176.559 176.117 0.284 0.000 1.232 205 I CA -0.161 61.280 61.300 0.235 0.000 1.060 205 I CB -0.225 37.886 38.000 0.185 0.000 1.866 205 I HN 0.717 nan 8.210 nan 0.000 0.568 206 C N -1.948 117.497 119.300 0.242 0.000 2.976 206 C HA 0.360 4.840 4.460 0.033 0.000 0.274 206 C C 1.122 176.224 174.990 0.187 0.000 1.487 206 C CA -0.460 58.666 59.018 0.180 0.000 1.789 206 C CB -1.711 26.035 27.740 0.010 0.000 2.771 206 C HN 0.482 nan 8.230 nan 0.000 0.551 207 Y N 2.535 123.025 120.300 0.317 0.000 2.466 207 Y HA 0.149 4.723 4.550 0.041 0.000 0.272 207 Y C 1.169 177.261 175.900 0.320 0.000 1.169 207 Y CA 0.026 58.347 58.100 0.368 0.000 1.285 207 Y CB -0.370 38.236 38.460 0.243 0.000 1.078 207 Y HN 0.549 nan 8.280 nan 0.000 0.523 208 D N 0.274 120.942 120.400 0.448 0.000 2.400 208 D HA -0.052 4.608 4.640 0.033 0.000 0.238 208 D C 1.266 177.732 176.300 0.275 0.000 1.157 208 D CA -0.223 53.990 54.000 0.354 0.000 0.889 208 D CB 0.771 41.800 40.800 0.382 0.000 1.199 208 D HN 0.304 nan 8.370 nan 0.000 0.436 209 K N 0.744 121.212 120.400 0.114 0.000 2.211 209 K HA -0.233 4.107 4.320 0.033 0.000 0.203 209 K C 1.208 177.759 176.600 -0.083 0.000 1.050 209 K CA 0.925 57.185 56.287 -0.045 0.000 0.945 209 K CB -0.441 31.933 32.500 -0.210 0.000 0.732 209 K HN 0.543 nan 8.250 nan 0.000 0.451 210 Y N 1.797 122.196 120.300 0.165 0.000 2.163 210 Y HA -0.051 4.519 4.550 0.033 0.000 0.288 210 Y C 2.248 178.303 175.900 0.258 0.000 1.136 210 Y CA 0.992 59.193 58.100 0.167 0.000 1.147 210 Y CB -0.305 38.228 38.460 0.122 0.000 0.987 210 Y HN -0.092 nan 8.280 nan 0.000 0.509 211 L N -0.392 121.120 121.223 0.481 0.000 2.141 211 L HA -0.215 4.145 4.340 0.033 0.000 0.209 211 L C 2.336 179.592 176.870 0.644 0.000 1.094 211 L CA 1.187 56.399 54.840 0.621 0.000 0.763 211 L CB -0.607 41.844 42.059 0.653 0.000 0.908 211 L HN 0.329 nan 8.230 nan 0.000 0.437 212 Q N -0.018 120.031 119.800 0.414 0.000 2.084 212 Q HA -0.185 4.175 4.340 0.033 0.000 0.202 212 Q C 2.458 178.546 176.000 0.147 0.000 0.978 212 Q CA 1.648 57.566 55.803 0.190 0.000 0.844 212 Q CB -0.206 28.556 28.738 0.041 0.000 0.898 212 Q HN 0.556 nan 8.270 nan 0.000 0.426 213 A N 1.144 124.060 122.820 0.159 0.000 1.930 213 A HA -0.225 4.115 4.320 0.033 0.000 0.217 213 A C 1.665 179.364 177.584 0.190 0.000 1.175 213 A CA 1.797 53.908 52.037 0.124 0.000 0.627 213 A CB -0.531 18.526 19.000 0.095 0.000 0.815 213 A HN 0.378 nan 8.150 nan 0.000 0.443 214 D N -1.482 119.112 120.400 0.324 0.000 2.117 214 D HA -0.167 4.493 4.640 0.033 0.000 0.197 214 D C 1.618 178.153 176.300 0.392 0.000 0.987 214 D CA 1.401 55.649 54.000 0.414 0.000 0.829 214 D CB -0.227 40.919 40.800 0.576 0.000 0.961 214 D HN 0.375 nan 8.370 nan 0.000 0.460 215 F N 1.320 121.338 119.950 0.114 0.000 2.134 215 F HA -0.090 4.460 4.527 0.039 0.000 0.299 215 F C 2.144 177.838 175.800 -0.177 0.000 1.097 215 F CA 1.530 59.240 58.000 -0.485 0.000 1.264 215 F CB -0.215 38.274 39.000 -0.852 0.000 1.001 215 F HN -0.163 nan 8.300 nan 0.000 0.479 216 K N 0.359 120.743 120.400 -0.027 0.000 2.057 216 K HA -0.172 4.168 4.320 0.033 0.000 0.207 216 K C 2.189 178.728 176.600 -0.103 0.000 1.049 216 K CA 1.325 57.565 56.287 -0.078 0.000 0.931 216 K CB -0.449 32.043 32.500 -0.014 0.000 0.714 216 K HN 0.316 nan 8.250 nan 0.000 0.440 217 A N 1.016 123.823 122.820 -0.021 0.000 1.898 217 A HA -0.062 4.278 4.320 0.033 0.000 0.216 217 A C 2.338 179.924 177.584 0.003 0.000 1.181 217 A CA 1.753 53.794 52.037 0.006 0.000 0.620 217 A CB -0.782 18.258 19.000 0.068 0.000 0.819 217 A HN 0.500 nan 8.150 nan 0.000 0.442 218 A N -0.093 122.739 122.820 0.020 0.000 1.902 218 A HA 0.165 4.505 4.320 0.033 0.000 0.217 218 A C 2.507 180.147 177.584 0.093 0.000 1.181 218 A CA 2.092 54.201 52.037 0.120 0.000 0.623 218 A CB -1.021 18.100 19.000 0.202 0.000 0.818 218 A HN 1.046 nan 8.150 nan 0.000 0.443 219 A N -0.240 122.469 122.820 -0.185 0.000 1.933 219 A HA 0.187 4.527 4.320 0.033 0.000 0.218 219 A C 2.469 179.867 177.584 -0.311 0.000 1.175 219 A CA 1.997 53.805 52.037 -0.381 0.000 0.628 219 A CB -0.915 17.789 19.000 -0.494 0.000 0.814 219 A HN 1.037 nan 8.150 nan 0.000 0.444 220 A N -0.226 122.472 122.820 -0.205 0.000 1.930 220 A HA 0.233 4.573 4.320 0.033 0.000 0.217 220 A C 2.428 179.927 177.584 -0.141 0.000 1.175 220 A CA 1.754 53.687 52.037 -0.173 0.000 0.627 220 A CB -0.854 18.076 19.000 -0.116 0.000 0.815 220 A HN 1.027 nan 8.150 nan 0.000 0.443 221 A N -0.081 122.692 122.820 -0.079 0.000 2.019 221 A HA 0.044 4.384 4.320 0.033 0.000 0.219 221 A C 1.898 179.449 177.584 -0.056 0.000 1.164 221 A CA 1.720 53.735 52.037 -0.036 0.000 0.644 221 A CB -0.842 18.176 19.000 0.030 0.000 0.805 221 A HN 1.170 nan 8.150 nan 0.000 0.449 222 V N -3.944 115.909 119.914 -0.102 0.000 3.514 222 V HA 0.551 4.691 4.120 0.033 0.000 0.301 222 V C 1.132 177.064 176.094 -0.270 0.000 1.346 222 V CA 0.459 62.676 62.300 -0.139 0.000 1.156 222 V CB -0.925 30.834 31.823 -0.107 0.000 1.029 222 V HN 1.405 nan 8.190 nan 0.000 0.428 223 G N 0.799 109.412 108.800 -0.311 0.000 2.147 223 G HA2 -0.247 3.733 3.960 0.033 0.000 0.244 223 G HA3 -0.247 3.733 3.960 0.033 0.000 0.244 223 G C 0.058 174.520 174.900 -0.730 0.000 1.005 223 G CA 0.540 45.383 45.100 -0.428 0.000 0.713 223 G HN 0.735 nan 8.290 nan 0.000 0.515 224 H N -0.193 118.479 119.070 -0.664 0.000 2.336 224 H HA 0.205 4.782 4.556 0.034 0.000 0.230 224 H C -1.607 173.357 175.328 -0.607 0.000 1.426 224 H CA -0.750 54.751 56.048 -0.911 0.000 1.359 224 H CB 1.437 29.982 29.762 -2.029 0.000 1.555 224 H HN 0.258 nan 8.280 nan 0.000 0.512 225 P HA -0.153 nan 4.420 nan 0.000 0.225 225 P C 1.340 178.579 177.300 -0.101 0.000 1.148 225 P CA 0.989 63.979 63.100 -0.184 0.000 0.779 225 P CB 0.461 32.069 31.700 -0.154 0.000 0.780 226 E N -1.364 118.782 120.200 -0.090 0.000 2.371 226 E HA -0.104 4.266 4.350 0.033 0.000 0.194 226 E C 0.340 177.038 176.600 0.162 0.000 1.012 226 E CA 0.067 56.477 56.400 0.016 0.000 0.860 226 E CB -0.763 28.947 29.700 0.017 0.000 0.811 226 E HN 0.142 nan 8.360 nan 0.000 0.502 227 W N 2.246 123.543 121.300 -0.006 0.000 2.170 227 W HA 0.240 4.923 4.660 0.037 0.000 0.342 227 W C 0.613 177.213 176.519 0.134 0.000 1.294 227 W CA -0.387 56.981 57.345 0.038 0.000 1.246 227 W CB 0.184 29.647 29.460 0.005 0.000 1.156 227 W HN 0.004 nan 8.180 nan 0.000 0.572 228 E N 0.861 121.193 120.200 0.220 0.000 2.410 228 E HA 0.342 4.712 4.350 0.033 0.000 0.269 228 E C -0.869 175.512 176.600 -0.366 0.000 0.937 228 E CA -1.193 55.135 56.400 -0.120 0.000 0.793 228 E CB 1.406 31.014 29.700 -0.154 0.000 1.314 228 E HN -0.111 nan 8.360 nan 0.000 0.447 229 F N 2.159 121.660 119.950 -0.748 0.000 2.595 229 F HA 0.070 4.614 4.527 0.028 0.000 0.359 229 F C -1.608 173.701 175.800 -0.819 0.000 1.147 229 F CA -2.002 55.359 58.000 -1.064 0.000 1.341 229 F CB -0.606 37.793 39.000 -1.001 0.000 1.104 229 F HN 0.132 nan 8.300 nan 0.000 0.603 230 P HA 0.033 nan 4.420 nan 0.000 0.268 230 P C -0.256 176.793 177.300 -0.419 0.000 1.205 230 P CA -0.047 62.675 63.100 -0.630 0.000 0.771 230 P CB 0.515 31.623 31.700 -0.987 0.000 0.858 231 N N 0.141 118.698 118.700 -0.239 0.000 2.200 231 N HA -0.009 4.751 4.740 0.033 0.000 0.224 231 N C -0.207 175.239 175.510 -0.106 0.000 1.179 231 N CA -0.225 52.735 53.050 -0.149 0.000 0.877 231 N CB -0.293 38.135 38.487 -0.097 0.000 1.072 231 N HN 0.186 nan 8.380 nan 0.000 0.519 232 D N 0.190 120.526 120.400 -0.106 0.000 2.722 232 D HA 0.028 4.688 4.640 0.033 0.000 0.239 232 D C 0.841 177.146 176.300 0.008 0.000 1.249 232 D CA -0.585 53.400 54.000 -0.026 0.000 0.830 232 D CB -0.095 40.711 40.800 0.010 0.000 1.025 232 D HN 0.188 nan 8.370 nan 0.000 0.486 233 V N -4.085 115.805 119.914 -0.040 0.000 3.578 233 V HA 0.526 4.666 4.120 0.033 0.000 0.290 233 V C 1.239 177.426 176.094 0.156 0.000 1.376 233 V CA 0.210 62.532 62.300 0.036 0.000 1.083 233 V CB -0.435 31.334 31.823 -0.091 0.000 0.911 233 V HN 0.413 nan 8.190 nan 0.000 0.433 234 G N 1.685 110.527 108.800 0.071 0.000 2.564 234 G HA2 -0.242 3.738 3.960 0.033 0.000 0.273 234 G HA3 -0.242 3.738 3.960 0.033 0.000 0.273 234 G C -0.215 174.687 174.900 0.004 0.000 1.242 234 G CA 0.723 45.851 45.100 0.047 0.000 0.951 234 G HN 1.237 nan 8.290 nan 0.000 0.564 235 Q N -2.477 117.316 119.800 -0.012 0.000 2.615 235 Q HA 0.704 5.064 4.340 0.033 0.000 0.298 235 Q C 0.707 176.692 176.000 -0.025 0.000 1.023 235 Q CA -0.823 54.947 55.803 -0.056 0.000 0.768 235 Q CB 0.709 29.470 28.738 0.037 0.000 1.500 235 Q HN 0.492 nan 8.270 nan 0.000 0.441 236 Y N 0.684 121.054 120.300 0.117 0.000 2.062 236 Y HA -0.245 4.327 4.550 0.036 0.000 0.276 236 Y C 1.518 177.550 175.900 0.220 0.000 1.189 236 Y CA 2.213 60.448 58.100 0.224 0.000 1.130 236 Y CB -0.229 38.416 38.460 0.308 0.000 0.959 236 Y HN 0.608 nan 8.280 nan 0.000 0.499 237 N N 0.101 118.953 118.700 0.254 0.000 2.268 237 N HA -0.003 4.757 4.740 0.033 0.000 0.204 237 N C -0.494 175.040 175.510 0.040 0.000 1.124 237 N CA 0.208 53.313 53.050 0.093 0.000 0.838 237 N CB -0.216 38.282 38.487 0.018 0.000 0.994 237 N HN 0.302 nan 8.380 nan 0.000 0.489 238 D N 0.679 121.095 120.400 0.026 0.000 2.363 238 D HA 0.032 4.692 4.640 0.033 0.000 0.240 238 D C 1.043 177.277 176.300 -0.109 0.000 1.236 238 D CA 0.527 54.504 54.000 -0.038 0.000 0.927 238 D CB 0.915 41.685 40.800 -0.050 0.000 1.150 238 D HN 0.174 nan 8.370 nan 0.000 0.458 239 T N -2.802 111.648 114.554 -0.174 0.000 2.948 239 T HA 0.417 4.787 4.350 0.033 0.000 0.285 239 T C -2.046 172.359 174.700 -0.492 0.000 1.019 239 T CA -1.685 60.152 62.100 -0.438 0.000 1.013 239 T CB 1.789 70.521 68.868 -0.226 0.000 1.117 239 T HN -0.066 nan 8.240 nan 0.000 0.533 240 P HA -0.040 nan 4.420 nan 0.000 0.216 240 P C 1.357 178.583 177.300 -0.123 0.000 1.150 240 P CA 0.860 63.721 63.100 -0.399 0.000 0.837 240 P CB 0.090 31.522 31.700 -0.445 0.000 0.786 241 E N -0.875 119.253 120.200 -0.121 0.000 2.478 241 E HA -0.060 4.310 4.350 0.033 0.000 0.198 241 E C 1.684 178.277 176.600 -0.012 0.000 1.046 241 E CA 0.471 56.852 56.400 -0.031 0.000 0.870 241 E CB -0.317 29.373 29.700 -0.015 0.000 0.818 241 E HN 0.232 nan 8.360 nan 0.000 0.527 242 R N 0.857 121.338 120.500 -0.032 0.000 2.316 242 R HA -0.001 4.359 4.340 0.033 0.000 0.202 242 R C 1.099 177.417 176.300 0.029 0.000 1.029 242 R CA 0.487 56.584 56.100 -0.005 0.000 1.018 242 R CB -0.410 29.878 30.300 -0.020 0.000 0.888 242 R HN 0.192 nan 8.270 nan 0.000 0.471 243 T N -3.285 111.307 114.554 0.063 0.000 2.893 243 T HA 0.277 4.647 4.350 0.033 0.000 0.291 243 T C 0.758 175.524 174.700 0.109 0.000 1.028 243 T CA -0.877 61.293 62.100 0.118 0.000 0.995 243 T CB 2.582 71.604 68.868 0.257 0.000 1.051 243 T HN -0.211 nan 8.240 nan 0.000 0.470 244 Q N 0.678 120.531 119.800 0.089 0.000 2.245 244 Q HA 0.071 4.431 4.340 0.033 0.000 0.201 244 Q C 1.388 177.431 176.000 0.072 0.000 0.955 244 Q CA 0.888 56.729 55.803 0.063 0.000 0.870 244 Q CB -0.308 28.451 28.738 0.035 0.000 0.945 244 Q HN 0.849 nan 8.270 nan 0.000 0.461 245 F N -0.105 119.794 119.950 -0.085 0.000 2.128 245 F HA -0.141 4.405 4.527 0.032 0.000 0.295 245 F C 1.363 177.081 175.800 -0.138 0.000 1.100 245 F CA 1.228 59.095 58.000 -0.222 0.000 1.260 245 F CB -0.003 38.681 39.000 -0.525 0.000 1.009 245 F HN -0.064 nan 8.300 nan 0.000 0.476 246 F N 0.609 120.668 119.950 0.183 0.000 2.749 246 F HA 0.188 4.726 4.527 0.019 0.000 0.300 246 F C 1.177 176.959 175.800 -0.031 0.000 1.103 246 F CA -0.345 57.660 58.000 0.008 0.000 1.342 246 F CB -0.602 38.367 39.000 -0.050 0.000 1.098 246 F HN -0.223 nan 8.300 nan 0.000 0.586 247 R N 0.813 121.421 120.500 0.179 0.000 2.784 247 R HA 0.024 4.384 4.340 0.033 0.000 0.266 247 R C -0.256 176.141 176.300 0.163 0.000 1.044 247 R CA -0.619 55.549 56.100 0.112 0.000 1.151 247 R CB 0.127 30.470 30.300 0.073 0.000 1.037 247 R HN -0.068 nan 8.270 nan 0.000 0.478 248 D N 1.138 121.610 120.400 0.121 0.000 2.493 248 D HA -0.077 4.583 4.640 0.033 0.000 0.240 248 D C -0.155 176.204 176.300 0.098 0.000 1.142 248 D CA 0.822 54.905 54.000 0.139 0.000 0.872 248 D CB 0.190 41.040 40.800 0.084 0.000 1.173 248 D HN 0.686 nan 8.370 nan 0.000 0.467 249 N N 1.584 120.334 118.700 0.082 0.000 2.782 249 N HA -0.134 4.626 4.740 0.033 0.000 0.251 249 N C 0.425 175.895 175.510 -0.066 0.000 1.101 249 N CA 1.067 54.102 53.050 -0.025 0.000 0.764 249 N CB -1.435 37.042 38.487 -0.017 0.000 1.122 249 N HN 0.524 nan 8.380 nan 0.000 0.561 250 G N -0.152 108.632 108.800 -0.026 0.000 2.535 250 G HA2 0.333 4.313 3.960 0.033 0.000 0.282 250 G HA3 0.333 4.313 3.960 0.033 0.000 0.282 250 G C 1.110 175.864 174.900 -0.243 0.000 1.350 250 G CA 0.449 45.516 45.100 -0.055 0.000 1.039 250 G HN 0.229 nan 8.290 nan 0.000 0.509 251 T N -2.541 111.864 114.554 -0.248 0.000 3.118 251 T HA -0.126 4.244 4.350 0.033 0.000 0.260 251 T C 1.864 176.208 174.700 -0.594 0.000 1.139 251 T CA 1.470 63.381 62.100 -0.315 0.000 1.085 251 T CB -0.483 68.299 68.868 -0.142 0.000 0.934 251 T HN 0.650 nan 8.240 nan 0.000 0.518 252 Y N 1.381 121.028 120.300 -1.089 0.000 2.384 252 Y HA 0.123 4.691 4.550 0.031 0.000 0.289 252 Y C 1.687 177.339 175.900 -0.414 0.000 1.152 252 Y CA 0.464 57.869 58.100 -1.158 0.000 1.258 252 Y CB -0.813 37.014 38.460 -1.055 0.000 0.979 252 Y HN 0.227 nan 8.280 nan 0.000 0.549 253 L N 0.797 121.498 121.223 -0.869 0.000 2.418 253 L HA 0.030 4.390 4.340 0.033 0.000 0.218 253 L C 1.568 178.267 176.870 -0.284 0.000 1.125 253 L CA 0.321 54.801 54.840 -0.601 0.000 0.835 253 L CB -0.507 41.176 42.059 -0.627 0.000 0.953 253 L HN 0.343 nan 8.230 nan 0.000 0.454 254 S N -0.997 114.549 115.700 -0.256 0.000 2.608 254 S HA -0.052 4.438 4.470 0.033 0.000 0.261 254 S C 1.135 175.670 174.600 -0.108 0.000 1.314 254 S CA -0.354 57.748 58.200 -0.162 0.000 0.992 254 S CB 1.140 64.240 63.200 -0.167 0.000 0.935 254 S HN 0.286 nan 8.310 nan 0.000 0.564 255 E N 0.868 121.022 120.200 -0.077 0.000 2.058 255 E HA -0.249 4.121 4.350 0.033 0.000 0.194 255 E C 1.970 178.473 176.600 -0.162 0.000 0.997 255 E CA 1.494 57.877 56.400 -0.030 0.000 0.801 255 E CB -0.209 29.517 29.700 0.043 0.000 0.746 255 E HN 0.774 nan 8.360 nan 0.000 0.450 256 K N -0.427 119.723 120.400 -0.416 0.000 2.057 256 K HA -0.094 4.246 4.320 0.033 0.000 0.206 256 K C 2.097 178.522 176.600 -0.292 0.000 1.050 256 K CA 1.369 57.157 56.287 -0.831 0.000 0.935 256 K CB -0.354 31.586 32.500 -0.933 0.000 0.715 256 K HN 0.222 nan 8.250 nan 0.000 0.439 257 G N 0.867 109.590 108.800 -0.129 0.000 2.421 257 G HA2 -0.247 3.733 3.960 0.033 0.000 0.216 257 G HA3 -0.247 3.733 3.960 0.033 0.000 0.216 257 G C 1.415 176.384 174.900 0.115 0.000 1.171 257 G CA 0.604 45.746 45.100 0.070 0.000 0.775 257 G HN 0.264 nan 8.290 nan 0.000 0.543 258 R N -0.833 119.715 120.500 0.081 0.000 2.081 258 R HA -0.032 4.328 4.340 0.033 0.000 0.235 258 R C 2.316 178.738 176.300 0.203 0.000 1.131 258 R CA 1.256 57.463 56.100 0.179 0.000 0.960 258 R CB -0.574 29.841 30.300 0.192 0.000 0.856 258 R HN 0.423 nan 8.270 nan 0.000 0.436 259 F N 0.910 120.908 119.950 0.081 0.000 2.095 259 F HA -0.250 4.296 4.527 0.031 0.000 0.298 259 F C 2.061 178.008 175.800 0.244 0.000 1.104 259 F CA 1.436 59.536 58.000 0.166 0.000 1.232 259 F CB -0.387 38.712 39.000 0.165 0.000 0.987 259 F HN -0.066 nan 8.300 nan 0.000 0.475 260 F N 0.702 120.753 119.950 0.169 0.000 2.102 260 F HA -0.163 4.388 4.527 0.040 0.000 0.298 260 F C 1.887 177.673 175.800 -0.023 0.000 1.105 260 F CA 1.781 59.857 58.000 0.128 0.000 1.239 260 F CB -0.741 38.211 39.000 -0.081 0.000 0.991 260 F HN -0.039 nan 8.300 nan 0.000 0.474 261 L N -0.034 120.975 121.223 -0.356 0.000 2.083 261 L HA -0.166 4.194 4.340 0.033 0.000 0.209 261 L C 2.804 179.360 176.870 -0.524 0.000 1.083 261 L CA 1.072 55.497 54.840 -0.692 0.000 0.752 261 L CB -1.193 40.236 42.059 -1.050 0.000 0.899 261 L HN 0.278 nan 8.230 nan 0.000 0.433 262 A N -0.386 122.315 122.820 -0.199 0.000 1.877 262 A HA -0.279 4.061 4.320 0.033 0.000 0.216 262 A C 2.002 179.558 177.584 -0.046 0.000 1.186 262 A CA 1.618 53.694 52.037 0.064 0.000 0.620 262 A CB -1.088 17.988 19.000 0.126 0.000 0.822 262 A HN 0.625 nan 8.150 nan 0.000 0.443 263 W N -0.642 120.456 121.300 -0.337 0.000 2.335 263 W HA -0.265 4.413 4.660 0.031 0.000 0.311 263 W C 2.045 178.478 176.519 -0.143 0.000 1.213 263 W CA 2.166 59.357 57.345 -0.258 0.000 1.274 263 W CB -0.627 28.687 29.460 -0.244 0.000 1.148 263 W HN 0.440 nan 8.180 nan 0.000 0.498 264 Y N 1.770 121.770 120.300 -0.500 0.000 2.145 264 Y HA -0.242 4.331 4.550 0.039 0.000 0.286 264 Y C 2.962 178.646 175.900 -0.359 0.000 1.145 264 Y CA 3.053 60.724 58.100 -0.715 0.000 1.148 264 Y CB -0.952 36.981 38.460 -0.880 0.000 0.981 264 Y HN 0.064 nan 8.280 nan 0.000 0.507 265 S N -0.246 115.378 115.700 -0.127 0.000 2.387 265 S HA -0.157 4.333 4.470 0.033 0.000 0.226 265 S C 1.765 176.312 174.600 -0.088 0.000 1.026 265 S CA 1.175 59.344 58.200 -0.052 0.000 0.972 265 S CB -0.606 62.661 63.200 0.111 0.000 0.814 265 S HN 0.472 nan 8.310 nan 0.000 0.477 266 N N 2.705 121.340 118.700 -0.110 0.000 2.166 266 N HA -0.009 4.751 4.740 0.033 0.000 0.186 266 N C 1.475 176.896 175.510 -0.149 0.000 1.019 266 N CA 1.006 53.999 53.050 -0.095 0.000 0.856 266 N CB -0.805 37.637 38.487 -0.075 0.000 0.993 266 N HN 0.409 nan 8.380 nan 0.000 0.426 267 N N 0.889 119.411 118.700 -0.295 0.000 2.166 267 N HA -0.017 4.743 4.740 0.033 0.000 0.186 267 N C 1.802 177.203 175.510 -0.181 0.000 1.019 267 N CA 0.435 53.318 53.050 -0.279 0.000 0.856 267 N CB -0.238 37.963 38.487 -0.477 0.000 0.993 267 N HN 0.269 nan 8.380 nan 0.000 0.426 268 L N 0.393 121.478 121.223 -0.229 0.000 2.046 268 L HA -0.099 4.261 4.340 0.033 0.000 0.208 268 L C 2.139 178.997 176.870 -0.020 0.000 1.077 268 L CA 0.795 55.528 54.840 -0.180 0.000 0.747 268 L CB -0.352 41.562 42.059 -0.242 0.000 0.896 268 L HN 0.112 nan 8.230 nan 0.000 0.432 269 I N -0.199 120.359 120.570 -0.020 0.000 2.208 269 I HA -0.321 3.869 4.170 0.033 0.000 0.245 269 I C 2.566 178.702 176.117 0.032 0.000 1.097 269 I CA 1.482 62.792 61.300 0.017 0.000 1.363 269 I CB -0.287 37.721 38.000 0.013 0.000 1.051 269 I HN 0.217 nan 8.210 nan 0.000 0.413 270 K N -0.467 119.947 120.400 0.024 0.000 2.097 270 K HA -0.242 4.098 4.320 0.033 0.000 0.205 270 K C 2.154 178.800 176.600 0.076 0.000 1.050 270 K CA 1.533 57.846 56.287 0.044 0.000 0.938 270 K CB -0.380 32.138 32.500 0.030 0.000 0.718 270 K HN 0.341 nan 8.250 nan 0.000 0.442 271 H N 0.463 119.514 119.070 -0.032 0.000 2.290 271 H HA -0.102 4.474 4.556 0.035 0.000 0.298 271 H C 2.009 177.330 175.328 -0.011 0.000 1.087 271 H CA 2.191 58.230 56.048 -0.016 0.000 1.291 271 H CB -0.557 29.184 29.762 -0.035 0.000 1.369 271 H HN 0.228 nan 8.280 nan 0.000 0.492 272 G N -0.560 108.214 108.800 -0.044 0.000 2.418 272 G HA2 -0.316 3.664 3.960 0.033 0.000 0.217 272 G HA3 -0.316 3.664 3.960 0.033 0.000 0.217 272 G C 1.573 176.409 174.900 -0.107 0.000 1.158 272 G CA 0.995 46.022 45.100 -0.122 0.000 0.771 272 G HN 0.540 nan 8.290 nan 0.000 0.545 273 D N 0.833 121.226 120.400 -0.011 0.000 2.097 273 D HA -0.135 4.525 4.640 0.033 0.000 0.195 273 D C 2.740 179.047 176.300 0.012 0.000 0.989 273 D CA 1.338 55.379 54.000 0.068 0.000 0.827 273 D CB -0.194 40.682 40.800 0.126 0.000 0.966 273 D HN 0.473 nan 8.370 nan 0.000 0.456 274 R N 0.295 120.792 120.500 -0.005 0.000 2.115 274 R HA -0.016 4.344 4.340 0.033 0.000 0.226 274 R C 2.369 178.636 176.300 -0.056 0.000 1.100 274 R CA 1.108 57.205 56.100 -0.005 0.000 0.980 274 R CB -0.721 29.588 30.300 0.016 0.000 0.875 274 R HN 0.266 nan 8.270 nan 0.000 0.445 275 I N 1.467 121.964 120.570 -0.121 0.000 2.286 275 I HA -0.181 4.009 4.170 0.033 0.000 0.245 275 I C 2.347 178.379 176.117 -0.142 0.000 1.104 275 I CA 0.925 62.148 61.300 -0.128 0.000 1.397 275 I CB -0.191 37.687 38.000 -0.205 0.000 1.072 275 I HN 0.070 nan 8.210 nan 0.000 0.417 276 L N 0.428 121.503 121.223 -0.247 0.000 2.083 276 L HA -0.256 4.104 4.340 0.033 0.000 0.209 276 L C 2.146 178.793 176.870 -0.371 0.000 1.083 276 L CA 1.444 56.047 54.840 -0.394 0.000 0.752 276 L CB -0.596 41.029 42.059 -0.724 0.000 0.899 276 L HN 0.277 nan 8.230 nan 0.000 0.433 277 D N -0.275 119.984 120.400 -0.234 0.000 2.117 277 D HA -0.203 4.457 4.640 0.033 0.000 0.197 277 D C 2.138 178.459 176.300 0.035 0.000 0.987 277 D CA 1.072 55.099 54.000 0.045 0.000 0.829 277 D CB 0.204 41.094 40.800 0.150 0.000 0.961 277 D HN 0.165 nan 8.370 nan 0.000 0.460 278 E N 0.086 120.288 120.200 0.004 0.000 2.072 278 E HA -0.109 4.261 4.350 0.033 0.000 0.191 278 E C 2.140 178.761 176.600 0.036 0.000 0.985 278 E CA 0.973 57.383 56.400 0.018 0.000 0.801 278 E CB -0.522 29.183 29.700 0.008 0.000 0.750 278 E HN 0.372 nan 8.360 nan 0.000 0.452 279 A N 2.153 125.002 122.820 0.048 0.000 1.902 279 A HA -0.222 4.118 4.320 0.033 0.000 0.217 279 A C 2.076 179.783 177.584 0.206 0.000 1.181 279 A CA 1.687 53.815 52.037 0.150 0.000 0.623 279 A CB -0.700 18.382 19.000 0.138 0.000 0.818 279 A HN 0.262 nan 8.150 nan 0.000 0.443 280 N N -0.009 118.768 118.700 0.128 0.000 2.120 280 N HA -0.175 4.585 4.740 0.033 0.000 0.188 280 N C 1.666 177.258 175.510 0.136 0.000 1.024 280 N CA 1.658 54.804 53.050 0.160 0.000 0.852 280 N CB -0.223 38.367 38.487 0.172 0.000 1.003 280 N HN 0.532 nan 8.380 nan 0.000 0.424 281 K N 0.348 120.800 120.400 0.087 0.000 2.057 281 K HA -0.069 4.271 4.320 0.033 0.000 0.207 281 K C 2.128 178.735 176.600 0.011 0.000 1.049 281 K CA 1.032 57.350 56.287 0.053 0.000 0.931 281 K CB -0.048 32.473 32.500 0.035 0.000 0.714 281 K HN 0.037 nan 8.250 nan 0.000 0.440 282 V N 0.581 120.461 119.914 -0.057 0.000 2.295 282 V HA -0.215 3.925 4.120 0.033 0.000 0.246 282 V C 1.657 177.553 176.094 -0.331 0.000 1.049 282 V CA 1.732 63.869 62.300 -0.273 0.000 1.024 282 V CB -0.412 31.106 31.823 -0.508 0.000 0.648 282 V HN 0.179 nan 8.190 nan 0.000 0.447 283 F N -0.706 119.304 119.950 0.101 0.000 2.693 283 F HA 0.357 4.904 4.527 0.033 0.000 0.303 283 F C 0.667 176.615 175.800 0.248 0.000 1.097 283 F CA -0.812 57.284 58.000 0.160 0.000 1.330 283 F CB -0.299 38.750 39.000 0.081 0.000 1.067 283 F HN 0.028 nan 8.300 nan 0.000 0.565 284 L N 1.058 122.436 121.223 0.259 0.000 2.640 284 L HA 0.232 4.592 4.340 0.033 0.000 0.280 284 L C 1.270 178.228 176.870 0.146 0.000 1.229 284 L CA 1.117 56.062 54.840 0.174 0.000 0.919 284 L CB -0.070 42.049 42.059 0.101 0.000 1.168 284 L HN 0.504 nan 8.230 nan 0.000 0.496 285 G N 2.235 111.083 108.800 0.080 0.000 2.225 285 G HA2 -0.327 3.653 3.960 0.033 0.000 0.254 285 G HA3 -0.327 3.653 3.960 0.033 0.000 0.254 285 G C 0.097 174.919 174.900 -0.130 0.000 0.988 285 G CA 0.274 45.344 45.100 -0.050 0.000 0.625 285 G HN 0.614 nan 8.290 nan 0.000 0.527 286 Y N 0.681 121.041 120.300 0.100 0.000 2.307 286 Y HA 0.531 5.101 4.550 0.033 0.000 0.324 286 Y C 1.276 177.225 175.900 0.081 0.000 1.238 286 Y CA -0.247 57.916 58.100 0.105 0.000 1.280 286 Y CB 0.903 39.468 38.460 0.176 0.000 1.248 286 Y HN -0.049 nan 8.280 nan 0.000 0.508 287 K N 2.935 123.466 120.400 0.217 0.000 2.502 287 K HA 0.296 4.636 4.320 0.033 0.000 0.244 287 K C -1.139 175.534 176.600 0.122 0.000 1.249 287 K CA -0.243 56.124 56.287 0.134 0.000 1.193 287 K CB -0.392 32.171 32.500 0.104 0.000 1.674 287 K HN 0.426 nan 8.250 nan 0.000 0.302 288 V N -1.605 118.373 119.914 0.106 0.000 2.962 288 V HA 0.412 4.552 4.120 0.033 0.000 0.313 288 V C -0.897 175.201 176.094 0.007 0.000 1.099 288 V CA -1.268 61.051 62.300 0.032 0.000 0.971 288 V CB 1.985 33.773 31.823 -0.058 0.000 1.028 288 V HN 0.255 nan 8.190 nan 0.000 0.430 289 Q N 2.200 121.987 119.800 -0.021 0.000 2.243 289 Q HA 0.624 4.984 4.340 0.033 0.000 0.252 289 Q C -1.172 174.767 176.000 -0.101 0.000 0.909 289 Q CA -0.279 55.495 55.803 -0.048 0.000 0.922 289 Q CB 1.433 30.157 28.738 -0.023 0.000 1.215 289 Q HN 0.869 nan 8.270 nan 0.000 0.427 290 L N 2.824 123.995 121.223 -0.086 0.000 2.307 290 L HA 0.859 5.219 4.340 0.033 0.000 0.282 290 L C -0.396 176.422 176.870 -0.087 0.000 1.051 290 L CA -0.890 53.888 54.840 -0.104 0.000 0.804 290 L CB 1.433 43.460 42.059 -0.053 0.000 1.197 290 L HN 0.790 nan 8.230 nan 0.000 0.431 291 A N 3.993 126.751 122.820 -0.103 0.000 2.515 291 A HA 0.863 5.203 4.320 0.033 0.000 0.296 291 A C -0.899 176.636 177.584 -0.081 0.000 1.094 291 A CA -0.562 51.427 52.037 -0.081 0.000 0.718 291 A CB 1.985 20.935 19.000 -0.082 0.000 1.307 291 A HN 0.714 nan 8.150 nan 0.000 0.408 292 I N -1.759 118.776 120.570 -0.058 0.000 2.957 292 I HA 0.752 4.942 4.170 0.033 0.000 0.310 292 I C -0.509 175.591 176.117 -0.030 0.000 1.063 292 I CA -0.901 60.368 61.300 -0.051 0.000 1.033 292 I CB 2.132 40.109 38.000 -0.038 0.000 1.230 292 I HN 0.552 nan 8.210 nan 0.000 0.447 293 K N 4.533 124.918 120.400 -0.025 0.000 2.307 293 K HA 0.604 4.944 4.320 0.033 0.000 0.263 293 K C -1.411 175.222 176.600 0.056 0.000 0.973 293 K CA -0.609 55.678 56.287 0.001 0.000 0.846 293 K CB 1.366 33.844 32.500 -0.037 0.000 1.100 293 K HN 0.674 nan 8.250 nan 0.000 0.438 294 I N 2.424 123.066 120.570 0.121 0.000 2.359 294 I HA 0.106 4.296 4.170 0.033 0.000 0.294 294 I C 0.463 176.725 176.117 0.243 0.000 0.987 294 I CA -0.546 60.869 61.300 0.191 0.000 1.225 294 I CB 1.871 39.931 38.000 0.101 0.000 1.366 294 I HN 0.557 nan 8.210 nan 0.000 0.466 295 S N 3.725 119.616 115.700 0.318 0.000 2.585 295 S HA 0.364 4.854 4.470 0.033 0.000 0.273 295 S C 0.348 175.092 174.600 0.241 0.000 1.339 295 S CA -0.524 57.832 58.200 0.260 0.000 1.028 295 S CB 0.795 64.214 63.200 0.366 0.000 0.906 295 S HN 0.789 nan 8.310 nan 0.000 0.528 296 G N 4.098 112.906 108.800 0.014 0.000 2.696 296 G HA2 0.463 4.443 3.960 0.033 0.000 0.329 296 G HA3 0.463 4.443 3.960 0.033 0.000 0.329 296 G C -0.287 174.652 174.900 0.065 0.000 0.973 296 G CA -0.474 44.600 45.100 -0.043 0.000 1.257 296 G HN 0.658 nan 8.290 nan 0.000 0.456 297 I N 4.008 124.575 120.570 -0.005 0.000 2.257 297 I HA 0.139 4.329 4.170 0.033 0.000 0.290 297 I C 0.979 176.894 176.117 -0.337 0.000 1.137 297 I CA -0.610 60.359 61.300 -0.553 0.000 1.255 297 I CB -0.096 37.640 38.000 -0.439 0.000 1.485 297 I HN 0.745 nan 8.210 nan 0.000 0.534 298 H N 2.731 121.750 119.070 -0.084 0.000 2.544 298 H HA 0.056 4.633 4.556 0.035 0.000 0.269 298 H C 0.258 175.692 175.328 0.177 0.000 0.970 298 H CA -0.655 55.446 56.048 0.089 0.000 1.219 298 H CB -0.396 29.428 29.762 0.103 0.000 1.421 298 H HN 0.522 nan 8.280 nan 0.000 0.555 299 W N -0.226 120.939 121.300 -0.225 0.000 2.238 299 W HA 0.312 4.989 4.660 0.028 0.000 0.321 299 W C -0.523 175.865 176.519 -0.219 0.000 1.293 299 W CA -1.352 55.801 57.345 -0.320 0.000 1.204 299 W CB 0.258 29.416 29.460 -0.504 0.000 1.167 299 W HN 0.322 nan 8.180 nan 0.000 0.553 300 W N 0.571 121.940 121.300 0.116 0.000 2.303 300 W HA -0.376 4.310 4.660 0.043 0.000 0.267 300 W C 1.345 177.796 176.519 -0.114 0.000 1.054 300 W CA 0.649 57.979 57.345 -0.024 0.000 0.501 300 W CB -2.359 27.049 29.460 -0.086 0.000 2.076 300 W HN 0.708 nan 8.180 nan 0.000 1.317 301 Y N 1.251 121.511 120.300 -0.066 0.000 2.333 301 Y HA -0.118 4.451 4.550 0.033 0.000 0.290 301 Y C 2.107 177.814 175.900 -0.321 0.000 1.144 301 Y CA 2.258 60.233 58.100 -0.209 0.000 1.228 301 Y CB -0.072 38.409 38.460 0.035 0.000 0.985 301 Y HN -0.023 nan 8.280 nan 0.000 0.542 302 K N 0.257 120.685 120.400 0.047 0.000 2.487 302 K HA 0.064 4.404 4.320 0.033 0.000 0.192 302 K C 0.147 176.737 176.600 -0.015 0.000 1.027 302 K CA 0.500 56.808 56.287 0.035 0.000 1.054 302 K CB 0.116 32.663 32.500 0.078 0.000 0.824 302 K HN 0.190 nan 8.250 nan 0.000 0.510 303 V N -2.829 117.058 119.914 -0.044 0.000 2.850 303 V HA 0.307 4.447 4.120 0.033 0.000 0.315 303 V C -2.282 173.788 176.094 -0.041 0.000 1.064 303 V CA -2.183 60.129 62.300 0.020 0.000 0.979 303 V CB 1.879 33.791 31.823 0.147 0.000 1.039 303 V HN -0.189 nan 8.190 nan 0.000 0.452 304 P HA -0.112 nan 4.420 nan 0.000 0.216 304 P C 1.828 179.210 177.300 0.136 0.000 1.150 304 P CA 2.229 65.415 63.100 0.144 0.000 0.837 304 P CB 0.094 31.909 31.700 0.191 0.000 0.786 305 S N -2.442 113.195 115.700 -0.106 0.000 2.489 305 S HA -0.153 4.337 4.470 0.033 0.000 0.228 305 S C 0.741 175.339 174.600 -0.004 0.000 0.995 305 S CA 0.261 58.197 58.200 -0.440 0.000 0.934 305 S CB -1.354 61.588 63.200 -0.430 0.000 0.771 305 S HN 0.288 nan 8.310 nan 0.000 0.522 306 H N 0.355 119.400 119.070 -0.042 0.000 2.626 306 H HA -0.195 4.380 4.556 0.033 0.000 0.317 306 H C 1.468 176.816 175.328 0.033 0.000 1.140 306 H CA 0.390 56.456 56.048 0.030 0.000 1.134 306 H CB -1.564 28.202 29.762 0.006 0.000 1.486 306 H HN 0.657 nan 8.280 nan 0.000 0.417 307 A N 0.645 123.470 122.820 0.009 0.000 1.908 307 A HA -0.043 4.297 4.320 0.033 0.000 0.218 307 A C 2.487 179.939 177.584 -0.219 0.000 1.181 307 A CA 1.853 53.746 52.037 -0.240 0.000 0.627 307 A CB -0.474 18.005 19.000 -0.869 0.000 0.818 307 A HN 0.624 nan 8.150 nan 0.000 0.445 308 A N -0.465 122.304 122.820 -0.086 0.000 1.968 308 A HA -0.099 4.241 4.320 0.033 0.000 0.217 308 A C 1.884 179.380 177.584 -0.146 0.000 1.169 308 A CA 1.520 53.471 52.037 -0.143 0.000 0.638 308 A CB -0.442 18.351 19.000 -0.346 0.000 0.812 308 A HN 0.631 nan 8.150 nan 0.000 0.446 309 E N 0.049 120.240 120.200 -0.015 0.000 2.051 309 E HA -0.156 4.214 4.350 0.033 0.000 0.192 309 E C 1.926 178.617 176.600 0.150 0.000 0.991 309 E CA 1.215 57.706 56.400 0.151 0.000 0.799 309 E CB -0.307 29.583 29.700 0.317 0.000 0.748 309 E HN 0.619 nan 8.360 nan 0.000 0.449 310 L N 0.750 122.085 121.223 0.185 0.000 2.012 310 L HA -0.208 4.152 4.340 0.033 0.000 0.210 310 L C 2.890 179.912 176.870 0.253 0.000 1.073 310 L CA 1.800 56.811 54.840 0.286 0.000 0.748 310 L CB -1.183 41.145 42.059 0.447 0.000 0.891 310 L HN 0.360 nan 8.230 nan 0.000 0.431 311 T N -2.794 111.734 114.554 -0.044 0.000 2.951 311 T HA -0.024 4.346 4.350 0.033 0.000 0.268 311 T C 1.855 176.591 174.700 0.061 0.000 1.073 311 T CA 0.777 62.708 62.100 -0.282 0.000 1.134 311 T CB -0.232 68.297 68.868 -0.566 0.000 0.884 311 T HN 0.308 nan 8.240 nan 0.000 0.479 312 A N 1.165 123.996 122.820 0.019 0.000 2.066 312 A HA 0.495 4.835 4.320 0.033 0.000 0.218 312 A C 2.153 179.639 177.584 -0.163 0.000 1.157 312 A CA 1.060 53.060 52.037 -0.063 0.000 0.670 312 A CB -1.046 17.851 19.000 -0.171 0.000 0.804 312 A HN 1.436 nan 8.150 nan 0.000 0.453 313 G N -3.246 105.550 108.800 -0.006 0.000 2.175 313 G HA2 -0.170 3.810 3.960 0.033 0.000 0.182 313 G HA3 -0.170 3.810 3.960 0.033 0.000 0.182 313 G C -0.310 174.554 174.900 -0.061 0.000 1.003 313 G CA -0.007 45.077 45.100 -0.027 0.000 0.666 313 G HN 0.356 nan 8.290 nan 0.000 0.506 314 Y N 0.626 121.002 120.300 0.128 0.000 2.504 314 Y HA 0.518 5.089 4.550 0.035 0.000 0.339 314 Y C 0.209 176.128 175.900 0.032 0.000 0.974 314 Y CA -2.460 55.628 58.100 -0.020 0.000 1.232 314 Y CB 0.421 38.840 38.460 -0.068 0.000 1.108 314 Y HN 0.204 nan 8.280 nan 0.000 0.509 315 Y N 4.461 124.766 120.300 0.008 0.000 2.570 315 Y HA 0.250 4.822 4.550 0.036 0.000 0.336 315 Y C -0.555 175.275 175.900 -0.117 0.000 1.284 315 Y CA -1.262 56.837 58.100 -0.002 0.000 1.761 315 Y CB -0.452 38.017 38.460 0.014 0.000 1.724 315 Y HN 0.553 nan 8.280 nan 0.000 0.455 316 N N 4.837 123.541 118.700 0.007 0.000 2.407 316 N HA 0.554 5.314 4.740 0.033 0.000 0.277 316 N C -1.599 173.630 175.510 -0.469 0.000 0.995 316 N CA -0.276 52.601 53.050 -0.288 0.000 0.903 316 N CB 0.853 39.158 38.487 -0.303 0.000 1.218 316 N HN 0.518 nan 8.380 nan 0.000 0.487 317 L N 1.620 122.568 121.223 -0.459 0.000 2.322 317 L HA 0.380 4.740 4.340 0.033 0.000 0.252 317 L C 1.623 178.324 176.870 -0.282 0.000 1.055 317 L CA -0.981 53.640 54.840 -0.366 0.000 0.849 317 L CB 1.463 43.484 42.059 -0.064 0.000 1.446 317 L HN 0.653 nan 8.230 nan 0.000 0.416 318 H N 0.450 119.463 119.070 -0.096 0.000 2.421 318 H HA -0.117 4.459 4.556 0.033 0.000 0.298 318 H C 0.233 175.528 175.328 -0.055 0.000 1.087 318 H CA 1.775 57.801 56.048 -0.037 0.000 1.330 318 H CB -0.077 29.710 29.762 0.043 0.000 1.388 318 H HN 0.732 nan 8.280 nan 0.000 0.526 319 D N -0.441 119.528 120.400 -0.718 0.000 2.501 319 D HA 0.144 4.804 4.640 0.033 0.000 0.226 319 D C 0.339 176.448 176.300 -0.319 0.000 1.198 319 D CA -0.427 53.263 54.000 -0.516 0.000 0.830 319 D CB 0.081 40.515 40.800 -0.610 0.000 1.014 319 D HN 0.260 nan 8.370 nan 0.000 0.496 320 R N 0.761 121.080 120.500 -0.302 0.000 2.531 320 R HA 0.139 4.499 4.340 0.033 0.000 0.293 320 R C -1.678 174.453 176.300 -0.280 0.000 1.124 320 R CA -0.497 55.421 56.100 -0.303 0.000 0.945 320 R CB 1.076 31.121 30.300 -0.426 0.000 1.195 320 R HN -0.184 nan 8.270 nan 0.000 0.433 321 D N 3.253 123.526 120.400 -0.212 0.000 2.402 321 D HA 0.120 4.780 4.640 0.033 0.000 0.235 321 D C 0.861 177.031 176.300 -0.215 0.000 1.226 321 D CA 0.233 54.132 54.000 -0.168 0.000 0.918 321 D CB 1.201 41.941 40.800 -0.099 0.000 1.043 321 D HN 0.830 nan 8.370 nan 0.000 0.506 322 G N 2.335 110.937 108.800 -0.331 0.000 2.848 322 G HA2 -0.183 3.797 3.960 0.033 0.000 0.208 322 G HA3 -0.183 3.797 3.960 0.033 0.000 0.208 322 G C 0.662 175.215 174.900 -0.577 0.000 1.152 322 G CA 0.362 45.212 45.100 -0.416 0.000 0.789 322 G HN 0.451 nan 8.290 nan 0.000 0.531 323 Y N -0.948 119.280 120.300 -0.121 0.000 2.558 323 Y HA 0.305 4.875 4.550 0.033 0.000 0.273 323 Y C 2.571 178.387 175.900 -0.140 0.000 1.100 323 Y CA -0.207 57.786 58.100 -0.178 0.000 1.276 323 Y CB 0.041 38.332 38.460 -0.281 0.000 1.196 323 Y HN 0.059 nan 8.280 nan 0.000 0.527 324 R N 0.621 121.117 120.500 -0.006 0.000 2.148 324 R HA -0.122 4.238 4.340 0.033 0.000 0.227 324 R C 2.035 178.321 176.300 -0.024 0.000 1.103 324 R CA 1.768 57.857 56.100 -0.018 0.000 0.983 324 R CB -0.229 30.056 30.300 -0.024 0.000 0.874 324 R HN 0.495 nan 8.270 nan 0.000 0.451 325 T N -0.730 113.797 114.554 -0.045 0.000 2.674 325 T HA -0.147 4.223 4.350 0.033 0.000 0.265 325 T C 1.988 176.682 174.700 -0.010 0.000 1.039 325 T CA 1.462 63.543 62.100 -0.032 0.000 1.150 325 T CB -0.471 68.369 68.868 -0.047 0.000 0.864 325 T HN 0.187 nan 8.240 nan 0.000 0.427 326 I N 2.294 122.859 120.570 -0.010 0.000 2.151 326 I HA -0.190 4.000 4.170 0.033 0.000 0.243 326 I C 3.265 179.391 176.117 0.014 0.000 1.080 326 I CA 1.443 62.751 61.300 0.013 0.000 1.339 326 I CB -0.736 37.278 38.000 0.024 0.000 1.039 326 I HN 0.377 nan 8.210 nan 0.000 0.409 327 A N 0.617 123.438 122.820 0.002 0.000 1.908 327 A HA -0.269 4.071 4.320 0.033 0.000 0.218 327 A C 2.414 180.008 177.584 0.017 0.000 1.181 327 A CA 2.000 54.039 52.037 0.002 0.000 0.627 327 A CB -0.685 18.309 19.000 -0.010 0.000 0.818 327 A HN 0.374 nan 8.150 nan 0.000 0.445 328 R N -1.076 119.432 120.500 0.013 0.000 2.081 328 R HA -0.124 4.236 4.340 0.033 0.000 0.235 328 R C 2.240 178.550 176.300 0.017 0.000 1.131 328 R CA 1.710 57.819 56.100 0.014 0.000 0.960 328 R CB -0.298 30.006 30.300 0.007 0.000 0.856 328 R HN 0.519 nan 8.270 nan 0.000 0.436 329 M N 0.639 120.256 119.600 0.028 0.000 2.213 329 M HA -0.153 4.347 4.480 0.033 0.000 0.263 329 M C 1.629 177.987 176.300 0.097 0.000 1.062 329 M CA 1.682 57.013 55.300 0.051 0.000 1.105 329 M CB -0.247 32.390 32.600 0.061 0.000 1.385 329 M HN 0.305 nan 8.290 nan 0.000 0.417 330 L N -0.212 121.065 121.223 0.090 0.000 2.217 330 L HA -0.169 4.191 4.340 0.033 0.000 0.211 330 L C 2.477 179.402 176.870 0.092 0.000 1.107 330 L CA 0.780 55.699 54.840 0.132 0.000 0.783 330 L CB -0.688 41.411 42.059 0.066 0.000 0.919 330 L HN 0.336 nan 8.230 nan 0.000 0.442 331 K N 1.327 121.746 120.400 0.031 0.000 2.032 331 K HA -0.233 4.107 4.320 0.033 0.000 0.209 331 K C 2.331 178.909 176.600 -0.037 0.000 1.048 331 K CA 1.811 58.101 56.287 0.006 0.000 0.927 331 K CB -0.042 32.460 32.500 0.004 0.000 0.712 331 K HN 0.341 nan 8.250 nan 0.000 0.441 332 R N -0.738 119.688 120.500 -0.124 0.000 2.152 332 R HA -0.124 4.236 4.340 0.033 0.000 0.232 332 R C 1.405 177.565 176.300 -0.233 0.000 1.117 332 R CA 1.489 57.463 56.100 -0.209 0.000 0.981 332 R CB -0.532 29.584 30.300 -0.307 0.000 0.870 332 R HN 0.379 nan 8.270 nan 0.000 0.451 333 H N 1.075 120.150 119.070 0.009 0.000 2.548 333 H HA 0.192 4.768 4.556 0.033 0.000 0.268 333 H C 0.278 175.610 175.328 0.005 0.000 0.975 333 H CA 0.550 56.605 56.048 0.011 0.000 1.195 333 H CB 0.103 29.870 29.762 0.008 0.000 1.397 333 H HN 0.191 nan 8.280 nan 0.000 0.572 334 R N -0.134 120.412 120.500 0.076 0.000 3.516 334 R HA -0.139 4.221 4.340 0.033 0.000 0.271 334 R C 0.043 176.361 176.300 0.030 0.000 1.098 334 R CA 0.333 56.455 56.100 0.036 0.000 0.732 334 R CB -1.860 28.450 30.300 0.018 0.000 1.152 334 R HN 0.272 nan 8.270 nan 0.000 0.455 335 A N 0.461 123.317 122.820 0.061 0.000 2.302 335 A HA 0.614 4.954 4.320 0.033 0.000 0.285 335 A C 0.452 178.028 177.584 -0.013 0.000 1.105 335 A CA -0.261 51.789 52.037 0.021 0.000 0.816 335 A CB 1.032 20.055 19.000 0.040 0.000 1.067 335 A HN 0.207 nan 8.150 nan 0.000 0.489 336 S N -0.041 115.635 115.700 -0.040 0.000 2.687 336 S HA 0.576 5.066 4.470 0.033 0.000 0.283 336 S C -0.176 174.409 174.600 -0.025 0.000 1.170 336 S CA -0.282 57.892 58.200 -0.043 0.000 1.008 336 S CB 0.780 63.947 63.200 -0.055 0.000 1.026 336 S HN 0.510 nan 8.310 nan 0.000 0.541 337 I N 2.637 123.195 120.570 -0.020 0.000 2.336 337 I HA 0.291 4.481 4.170 0.033 0.000 0.292 337 I C -0.238 175.890 176.117 0.018 0.000 0.991 337 I CA -0.530 60.759 61.300 -0.018 0.000 1.227 337 I CB 1.148 39.107 38.000 -0.068 0.000 1.366 337 I HN 0.418 nan 8.210 nan 0.000 0.466 338 N N 6.319 125.037 118.700 0.030 0.000 2.469 338 N HA 0.340 5.100 4.740 0.033 0.000 0.253 338 N C -0.996 174.581 175.510 0.112 0.000 0.970 338 N CA -0.203 52.875 53.050 0.048 0.000 0.940 338 N CB 0.762 39.244 38.487 -0.008 0.000 1.128 338 N HN 0.309 nan 8.380 nan 0.000 0.503 339 F N 1.597 121.509 119.950 -0.065 0.000 2.561 339 F HA 0.710 5.257 4.527 0.032 0.000 0.384 339 F C 0.745 176.517 175.800 -0.046 0.000 1.131 339 F CA -0.458 57.490 58.000 -0.086 0.000 1.133 339 F CB 1.384 40.300 39.000 -0.141 0.000 1.506 339 F HN 0.319 nan 8.300 nan 0.000 0.499 340 T N -1.514 112.519 114.554 -0.868 0.000 2.671 340 T HA 0.367 4.737 4.350 0.033 0.000 0.300 340 T C -0.835 173.510 174.700 -0.592 0.000 1.238 340 T CA 0.222 61.988 62.100 -0.558 0.000 1.020 340 T CB 0.371 68.978 68.868 -0.437 0.000 1.503 340 T HN 0.851 nan 8.240 nan 0.000 0.497 341 C N 0.597 119.712 119.300 -0.309 0.000 4.392 341 C HA -0.136 4.344 4.460 0.033 0.000 0.280 341 C C 2.116 177.036 174.990 -0.117 0.000 1.381 341 C CA 0.407 59.294 59.018 -0.218 0.000 1.871 341 C CB -2.746 24.849 27.740 -0.242 0.000 1.323 341 C HN 1.036 nan 8.230 nan 0.000 0.772 342 A N 0.551 123.360 122.820 -0.019 0.000 2.172 342 A HA -0.059 4.281 4.320 0.033 0.000 0.216 342 A C 2.109 179.700 177.584 0.011 0.000 1.154 342 A CA 1.838 53.918 52.037 0.071 0.000 0.701 342 A CB -0.179 18.964 19.000 0.240 0.000 0.789 342 A HN 0.867 nan 8.150 nan 0.000 0.465 343 E N -0.457 119.718 120.200 -0.041 0.000 2.472 343 E HA 0.105 4.475 4.350 0.033 0.000 0.196 343 E C 0.305 176.829 176.600 -0.125 0.000 1.033 343 E CA -0.040 56.296 56.400 -0.108 0.000 0.886 343 E CB -0.266 29.343 29.700 -0.152 0.000 0.944 343 E HN 0.595 nan 8.360 nan 0.000 0.492 344 M N 1.990 121.511 119.600 -0.131 0.000 2.233 344 M HA 0.335 4.835 4.480 0.033 0.000 0.355 344 M C 0.123 176.343 176.300 -0.133 0.000 1.191 344 M CA -0.438 54.766 55.300 -0.160 0.000 1.101 344 M CB 1.329 33.788 32.600 -0.234 0.000 1.592 344 M HN -0.295 nan 8.290 nan 0.000 0.461 345 R N 1.568 121.997 120.500 -0.119 0.000 2.540 345 R HA 0.214 4.574 4.340 0.033 0.000 0.287 345 R C 0.118 176.357 176.300 -0.101 0.000 0.980 345 R CA -0.556 55.486 56.100 -0.097 0.000 0.966 345 R CB 0.926 31.186 30.300 -0.067 0.000 1.106 345 R HN 0.645 nan 8.270 nan 0.000 0.480 346 D N 0.557 120.905 120.400 -0.087 0.000 2.149 346 D HA -0.160 4.500 4.640 0.033 0.000 0.198 346 D C 1.508 177.780 176.300 -0.047 0.000 0.990 346 D CA 1.982 55.940 54.000 -0.069 0.000 0.839 346 D CB 0.026 40.796 40.800 -0.051 0.000 0.948 346 D HN 0.557 nan 8.370 nan 0.000 0.460 347 S N 0.076 115.752 115.700 -0.040 0.000 2.469 347 S HA -0.121 4.369 4.470 0.033 0.000 0.238 347 S C 1.542 176.123 174.600 -0.031 0.000 0.998 347 S CA 0.664 58.848 58.200 -0.026 0.000 0.957 347 S CB -0.288 62.903 63.200 -0.016 0.000 0.764 347 S HN 0.306 nan 8.310 nan 0.000 0.514 348 E N 0.643 120.813 120.200 -0.049 0.000 2.478 348 E HA 0.090 4.460 4.350 0.033 0.000 0.194 348 E C 0.081 176.649 176.600 -0.053 0.000 1.045 348 E CA 0.156 56.522 56.400 -0.056 0.000 0.868 348 E CB 0.156 29.808 29.700 -0.080 0.000 0.885 348 E HN 0.546 nan 8.360 nan 0.000 0.505 349 Q N 0.419 120.196 119.800 -0.039 0.000 2.222 349 Q HA 0.217 4.577 4.340 0.033 0.000 0.252 349 Q C -0.200 175.809 176.000 0.015 0.000 0.926 349 Q CA -0.431 55.372 55.803 -0.001 0.000 0.899 349 Q CB 1.614 30.370 28.738 0.030 0.000 1.250 349 Q HN -0.084 nan 8.270 nan 0.000 0.441 350 S N 0.744 116.472 115.700 0.046 0.000 2.563 350 S HA -0.019 4.471 4.470 0.033 0.000 0.294 350 S C 0.963 175.554 174.600 -0.015 0.000 1.279 350 S CA 0.014 58.227 58.200 0.021 0.000 1.069 350 S CB 0.311 63.545 63.200 0.057 0.000 0.828 350 S HN 0.564 nan 8.310 nan 0.000 0.497 351 S N 3.861 119.546 115.700 -0.025 0.000 2.383 351 S HA -0.174 4.316 4.470 0.033 0.000 0.229 351 S C 2.149 176.707 174.600 -0.070 0.000 1.030 351 S CA 1.502 59.682 58.200 -0.034 0.000 1.002 351 S CB -0.284 62.906 63.200 -0.017 0.000 0.829 351 S HN 0.943 nan 8.310 nan 0.000 0.467 352 Q N 1.177 120.926 119.800 -0.084 0.000 2.364 352 Q HA 0.110 4.470 4.340 0.033 0.000 0.207 352 Q C 1.831 177.643 176.000 -0.314 0.000 0.970 352 Q CA 1.242 56.976 55.803 -0.114 0.000 0.888 352 Q CB -0.476 28.220 28.738 -0.071 0.000 0.951 352 Q HN 0.527 nan 8.270 nan 0.000 0.469 353 A N 0.902 123.499 122.820 -0.372 0.000 2.206 353 A HA 0.127 4.467 4.320 0.033 0.000 0.211 353 A C 0.996 178.144 177.584 -0.727 0.000 1.158 353 A CA 0.293 51.930 52.037 -0.666 0.000 0.761 353 A CB -0.184 18.585 19.000 -0.384 0.000 0.801 353 A HN 0.355 nan 8.150 nan 0.000 0.473 354 M N 0.030 119.386 119.600 -0.408 0.000 2.212 354 M HA -0.138 4.362 4.480 0.033 0.000 0.193 354 M C 0.236 176.474 176.300 -0.103 0.000 0.493 354 M CA 0.950 56.115 55.300 -0.225 0.000 0.427 354 M CB -2.518 29.965 32.600 -0.195 0.000 1.120 354 M HN 0.501 nan 8.290 nan 0.000 0.929 355 S N 0.090 115.783 115.700 -0.011 0.000 2.451 355 S HA 0.806 5.296 4.470 0.033 0.000 0.301 355 S C 0.216 174.877 174.600 0.101 0.000 1.116 355 S CA 0.183 58.470 58.200 0.145 0.000 1.093 355 S CB 1.588 64.965 63.200 0.296 0.000 1.017 355 S HN 0.605 nan 8.310 nan 0.000 0.482 356 A N 6.558 129.427 122.820 0.083 0.000 3.355 356 A HA 0.505 4.845 4.320 0.033 0.000 0.290 356 A C -1.808 175.640 177.584 -0.227 0.000 0.973 356 A CA -1.053 50.941 52.037 -0.072 0.000 0.933 356 A CB 0.538 19.524 19.000 -0.024 0.000 1.138 356 A HN 0.680 nan 8.150 nan 0.000 0.490 357 P HA -0.206 nan 4.420 nan 0.000 0.216 357 P C 1.020 178.194 177.300 -0.210 0.000 1.150 357 P CA 1.336 64.314 63.100 -0.203 0.000 0.837 357 P CB 0.384 31.886 31.700 -0.330 0.000 0.786 358 E N 0.200 120.283 120.200 -0.196 0.000 2.051 358 E HA -0.195 4.175 4.350 0.033 0.000 0.192 358 E C 2.034 178.474 176.600 -0.267 0.000 0.991 358 E CA 1.216 57.502 56.400 -0.190 0.000 0.799 358 E CB -0.326 29.287 29.700 -0.146 0.000 0.748 358 E HN 0.280 nan 8.360 nan 0.000 0.449 359 E N 0.755 120.785 120.200 -0.285 0.000 2.106 359 E HA -0.165 4.205 4.350 0.033 0.000 0.192 359 E C 1.889 178.246 176.600 -0.406 0.000 0.984 359 E CA 0.432 56.655 56.400 -0.294 0.000 0.806 359 E CB -0.166 29.443 29.700 -0.152 0.000 0.750 359 E HN 0.099 nan 8.360 nan 0.000 0.458 360 L N 0.089 120.934 121.223 -0.629 0.000 2.017 360 L HA -0.138 4.222 4.340 0.033 0.000 0.208 360 L C 2.045 178.750 176.870 -0.274 0.000 1.073 360 L CA 1.401 55.941 54.840 -0.500 0.000 0.745 360 L CB -0.527 41.284 42.059 -0.413 0.000 0.894 360 L HN 0.015 nan 8.230 nan 0.000 0.432 361 V N -0.159 119.680 119.914 -0.125 0.000 2.287 361 V HA -0.376 3.764 4.120 0.033 0.000 0.248 361 V C 2.622 178.558 176.094 -0.263 0.000 1.053 361 V CA 2.267 64.543 62.300 -0.040 0.000 1.027 361 V CB -0.735 31.102 31.823 0.024 0.000 0.646 361 V HN 0.592 nan 8.190 nan 0.000 0.447 362 Q N -0.712 118.823 119.800 -0.442 0.000 2.124 362 Q HA -0.284 4.076 4.340 0.033 0.000 0.202 362 Q C 2.364 178.166 176.000 -0.330 0.000 0.977 362 Q CA 1.894 57.304 55.803 -0.655 0.000 0.850 362 Q CB -0.211 27.987 28.738 -0.900 0.000 0.901 362 Q HN 0.709 nan 8.270 nan 0.000 0.429 363 Q N 0.334 119.976 119.800 -0.263 0.000 2.050 363 Q HA -0.162 4.198 4.340 0.033 0.000 0.202 363 Q C 2.076 177.913 176.000 -0.273 0.000 0.980 363 Q CA 1.526 57.227 55.803 -0.170 0.000 0.840 363 Q CB 0.138 28.863 28.738 -0.021 0.000 0.898 363 Q HN 0.241 nan 8.270 nan 0.000 0.424 364 V N 0.788 120.397 119.914 -0.509 0.000 2.307 364 V HA -0.250 3.890 4.120 0.033 0.000 0.245 364 V C 2.298 178.066 176.094 -0.544 0.000 1.045 364 V CA 1.173 63.052 62.300 -0.702 0.000 1.024 364 V CB -0.502 30.437 31.823 -1.473 0.000 0.651 364 V HN 0.304 nan 8.190 nan 0.000 0.449 365 L N 0.184 121.089 121.223 -0.531 0.000 2.012 365 L HA -0.144 4.216 4.340 0.033 0.000 0.210 365 L C 2.642 179.045 176.870 -0.778 0.000 1.073 365 L CA 2.061 56.403 54.840 -0.829 0.000 0.748 365 L CB -1.159 40.445 42.059 -0.759 0.000 0.891 365 L HN 0.264 nan 8.230 nan 0.000 0.431 366 S N -0.579 114.988 115.700 -0.221 0.000 2.382 366 S HA -0.189 4.301 4.470 0.033 0.000 0.228 366 S C 2.168 176.823 174.600 0.092 0.000 1.027 366 S CA 1.068 59.373 58.200 0.175 0.000 0.991 366 S CB -0.501 62.760 63.200 0.101 0.000 0.823 366 S HN 0.508 nan 8.310 nan 0.000 0.469 367 A N 1.681 124.459 122.820 -0.070 0.000 1.877 367 A HA 0.043 4.383 4.320 0.033 0.000 0.216 367 A C 2.363 179.934 177.584 -0.022 0.000 1.186 367 A CA 1.801 53.813 52.037 -0.041 0.000 0.620 367 A CB -1.526 17.433 19.000 -0.070 0.000 0.822 367 A HN 0.515 nan 8.150 nan 0.000 0.443 368 G N -1.373 107.345 108.800 -0.137 0.000 2.446 368 G HA2 -0.245 3.735 3.960 0.033 0.000 0.217 368 G HA3 -0.245 3.735 3.960 0.033 0.000 0.217 368 G C 1.375 176.327 174.900 0.087 0.000 1.168 368 G CA 1.007 46.044 45.100 -0.105 0.000 0.771 368 G HN 0.575 nan 8.290 nan 0.000 0.551 369 W N 0.992 122.362 121.300 0.117 0.000 2.363 369 W HA 0.092 4.772 4.660 0.035 0.000 0.296 369 W C 2.723 179.367 176.519 0.207 0.000 1.212 369 W CA 0.564 58.002 57.345 0.154 0.000 1.260 369 W CB -0.682 28.840 29.460 0.104 0.000 1.131 369 W HN 0.229 nan 8.180 nan 0.000 0.530 370 R N 0.130 120.896 120.500 0.444 0.000 2.148 370 R HA -0.110 4.250 4.340 0.033 0.000 0.227 370 R C 1.324 177.743 176.300 0.197 0.000 1.103 370 R CA 0.940 57.233 56.100 0.322 0.000 0.983 370 R CB -0.184 30.251 30.300 0.225 0.000 0.874 370 R HN 0.054 nan 8.270 nan 0.000 0.451 371 E N -0.484 119.811 120.200 0.157 0.000 2.465 371 E HA 0.075 4.445 4.350 0.033 0.000 0.191 371 E C 0.828 177.493 176.600 0.108 0.000 1.053 371 E CA 0.371 56.833 56.400 0.102 0.000 0.869 371 E CB 0.814 30.552 29.700 0.063 0.000 0.977 371 E HN 0.473 nan 8.360 nan 0.000 0.483 372 G N 1.531 110.425 108.800 0.157 0.000 2.147 372 G HA2 -0.285 3.695 3.960 0.033 0.000 0.244 372 G HA3 -0.285 3.695 3.960 0.033 0.000 0.244 372 G C 0.256 175.227 174.900 0.118 0.000 1.005 372 G CA 0.283 45.464 45.100 0.135 0.000 0.713 372 G HN 0.223 nan 8.290 nan 0.000 0.515 373 L N -0.135 121.172 121.223 0.141 0.000 2.379 373 L HA 0.410 4.770 4.340 0.033 0.000 0.269 373 L C 0.494 177.450 176.870 0.143 0.000 1.084 373 L CA -1.219 53.675 54.840 0.090 0.000 0.802 373 L CB 0.537 42.626 42.059 0.049 0.000 1.175 373 L HN -0.014 nan 8.230 nan 0.000 0.448 374 N N 0.932 119.640 118.700 0.013 0.000 2.513 374 N HA 0.262 5.022 4.740 0.033 0.000 0.268 374 N C -0.758 174.807 175.510 0.093 0.000 1.180 374 N CA -0.082 52.969 53.050 0.003 0.000 0.948 374 N CB 1.545 39.762 38.487 -0.450 0.000 1.083 374 N HN 0.190 nan 8.380 nan 0.000 0.455 375 V N 0.873 120.934 119.914 0.246 0.000 2.588 375 V HA 0.761 4.901 4.120 0.033 0.000 0.304 375 V C 0.029 176.278 176.094 0.259 0.000 1.042 375 V CA -0.880 61.504 62.300 0.139 0.000 0.877 375 V CB 1.425 33.174 31.823 -0.124 0.000 0.996 375 V HN 0.787 nan 8.190 nan 0.000 0.425 376 A N 3.237 126.175 122.820 0.195 0.000 2.387 376 A HA 0.937 5.277 4.320 0.033 0.000 0.303 376 A C -0.773 176.918 177.584 0.179 0.000 1.145 376 A CA -0.453 51.717 52.037 0.222 0.000 0.801 376 A CB 1.825 20.934 19.000 0.181 0.000 1.342 376 A HN 0.838 nan 8.150 nan 0.000 0.440 377 C N -0.569 118.850 119.300 0.198 0.000 3.090 377 C HA 0.722 5.202 4.460 0.033 0.000 0.305 377 C C -0.304 174.676 174.990 -0.017 0.000 1.292 377 C CA -0.478 58.643 59.018 0.172 0.000 1.482 377 C CB 1.783 29.713 27.740 0.317 0.000 1.897 377 C HN 0.973 nan 8.230 nan 0.000 0.469 378 E N 1.240 121.385 120.200 -0.092 0.000 2.339 378 E HA 0.353 4.723 4.350 0.033 0.000 0.262 378 E C -1.085 175.525 176.600 0.017 0.000 0.934 378 E CA -0.650 55.585 56.400 -0.276 0.000 0.802 378 E CB 1.243 30.802 29.700 -0.235 0.000 1.275 378 E HN 0.765 nan 8.360 nan 0.000 0.427 379 N N 0.352 119.063 118.700 0.018 0.000 2.518 379 N HA 0.154 4.914 4.740 0.033 0.000 0.283 379 N C 0.063 175.497 175.510 -0.127 0.000 1.119 379 N CA -0.083 52.964 53.050 -0.005 0.000 0.983 379 N CB 1.667 40.118 38.487 -0.060 0.000 1.139 379 N HN 0.504 nan 8.380 nan 0.000 0.465 380 A N 2.531 125.273 122.820 -0.130 0.000 1.930 380 A HA 0.145 4.485 4.320 0.033 0.000 0.215 380 A C 0.950 178.461 177.584 -0.121 0.000 1.176 380 A CA 0.643 52.609 52.037 -0.118 0.000 0.632 380 A CB -0.102 18.843 19.000 -0.092 0.000 0.819 380 A HN 0.668 nan 8.150 nan 0.000 0.445 381 L N -0.659 120.470 121.223 -0.156 0.000 2.333 381 L HA 0.412 4.772 4.340 0.033 0.000 0.263 381 L C -2.666 174.069 176.870 -0.226 0.000 1.014 381 L CA -2.597 52.145 54.840 -0.163 0.000 0.820 381 L CB 1.995 43.962 42.059 -0.154 0.000 1.352 381 L HN -0.083 nan 8.230 nan 0.000 0.421 382 P HA 0.204 nan 4.420 nan 0.000 0.267 382 P C -1.190 175.882 177.300 -0.379 0.000 1.205 382 P CA -0.155 62.757 63.100 -0.313 0.000 0.765 382 P CB 0.530 32.145 31.700 -0.143 0.000 0.828 383 R N 2.748 122.886 120.500 -0.602 0.000 2.626 383 R HA 0.291 4.651 4.340 0.033 0.000 0.274 383 R C -0.569 175.302 176.300 -0.715 0.000 1.031 383 R CA -0.487 55.302 56.100 -0.518 0.000 0.898 383 R CB 1.338 31.395 30.300 -0.405 0.000 1.222 383 R HN 0.460 nan 8.270 nan 0.000 0.455 384 Y N -0.588 119.653 120.300 -0.097 0.000 2.563 384 Y HA 0.104 4.674 4.550 0.033 0.000 0.250 384 Y C 0.481 176.371 175.900 -0.018 0.000 1.126 384 Y CA -0.626 57.476 58.100 0.003 0.000 1.231 384 Y CB 0.874 39.388 38.460 0.088 0.000 1.288 384 Y HN 0.455 nan 8.280 nan 0.000 0.537 385 D N 0.029 120.388 120.400 -0.070 0.000 2.229 385 D HA 0.170 4.830 4.640 0.033 0.000 0.249 385 D C -2.281 174.008 176.300 -0.018 0.000 1.027 385 D CA -1.861 52.140 54.000 0.002 0.000 0.923 385 D CB 2.420 43.210 40.800 -0.017 0.000 1.174 385 D HN -0.090 nan 8.370 nan 0.000 0.443 386 P HA -0.135 nan 4.420 nan 0.000 0.216 386 P C 1.357 178.694 177.300 0.061 0.000 1.150 386 P CA 1.553 64.740 63.100 0.145 0.000 0.843 386 P CB 0.085 31.844 31.700 0.099 0.000 0.787 387 T N -0.606 113.950 114.554 0.002 0.000 2.708 387 T HA -0.154 4.216 4.350 0.033 0.000 0.266 387 T C 1.894 176.556 174.700 -0.064 0.000 1.037 387 T CA 1.674 63.768 62.100 -0.010 0.000 1.146 387 T CB -0.966 67.893 68.868 -0.015 0.000 0.865 387 T HN 0.057 nan 8.240 nan 0.000 0.435 388 A N 0.729 123.448 122.820 -0.169 0.000 1.883 388 A HA -0.130 4.210 4.320 0.033 0.000 0.217 388 A C 2.059 179.468 177.584 -0.293 0.000 1.186 388 A CA 1.618 53.489 52.037 -0.277 0.000 0.624 388 A CB -1.112 17.625 19.000 -0.438 0.000 0.822 388 A HN 0.548 nan 8.150 nan 0.000 0.444 389 Y N 0.629 120.798 120.300 -0.218 0.000 2.224 389 Y HA -0.166 4.404 4.550 0.034 0.000 0.289 389 Y C 2.416 178.269 175.900 -0.079 0.000 1.146 389 Y CA 1.314 59.220 58.100 -0.324 0.000 1.182 389 Y CB -0.571 37.696 38.460 -0.322 0.000 0.983 389 Y HN 0.320 nan 8.280 nan 0.000 0.524 390 N N -0.887 117.879 118.700 0.110 0.000 2.244 390 N HA -0.109 4.651 4.740 0.033 0.000 0.183 390 N C 1.745 177.294 175.510 0.065 0.000 1.016 390 N CA 1.620 54.729 53.050 0.098 0.000 0.866 390 N CB -0.607 37.937 38.487 0.094 0.000 0.980 390 N HN 0.311 nan 8.380 nan 0.000 0.430 391 T N 1.545 116.109 114.554 0.017 0.000 2.777 391 T HA 0.056 4.426 4.350 0.033 0.000 0.266 391 T C 2.111 176.814 174.700 0.007 0.000 1.040 391 T CA 0.546 62.647 62.100 0.001 0.000 1.141 391 T CB -0.093 68.751 68.868 -0.040 0.000 0.868 391 T HN 0.159 nan 8.240 nan 0.000 0.444 392 I N 0.756 121.304 120.570 -0.037 0.000 2.163 392 I HA -0.154 4.036 4.170 0.033 0.000 0.243 392 I C 2.272 178.403 176.117 0.023 0.000 1.085 392 I CA 1.214 62.472 61.300 -0.070 0.000 1.347 392 I CB -0.414 37.405 38.000 -0.301 0.000 1.044 392 I HN 0.179 nan 8.210 nan 0.000 0.408 393 L N 0.119 121.393 121.223 0.086 0.000 2.042 393 L HA -0.231 4.129 4.340 0.033 0.000 0.210 393 L C 2.812 179.705 176.870 0.038 0.000 1.076 393 L CA 1.136 56.012 54.840 0.061 0.000 0.749 393 L CB -0.605 41.496 42.059 0.069 0.000 0.893 393 L HN 0.250 nan 8.230 nan 0.000 0.432 394 R N 0.602 121.135 120.500 0.055 0.000 2.083 394 R HA -0.179 4.181 4.340 0.033 0.000 0.237 394 R C 1.887 178.227 176.300 0.066 0.000 1.137 394 R CA 1.884 58.018 56.100 0.057 0.000 0.951 394 R CB -0.669 29.677 30.300 0.077 0.000 0.851 394 R HN 0.423 nan 8.270 nan 0.000 0.434 395 N N 0.648 119.431 118.700 0.139 0.000 2.244 395 N HA -0.099 4.661 4.740 0.033 0.000 0.183 395 N C 1.575 177.189 175.510 0.173 0.000 1.016 395 N CA 1.307 54.501 53.050 0.239 0.000 0.866 395 N CB -0.262 38.375 38.487 0.251 0.000 0.980 395 N HN 0.315 nan 8.380 nan 0.000 0.430 396 A N 0.694 123.581 122.820 0.112 0.000 1.930 396 A HA 0.012 4.352 4.320 0.033 0.000 0.217 396 A C 1.034 178.650 177.584 0.053 0.000 1.175 396 A CA 1.002 53.108 52.037 0.115 0.000 0.627 396 A CB 0.090 19.125 19.000 0.057 0.000 0.815 396 A HN 0.156 nan 8.150 nan 0.000 0.443 397 R N -0.855 119.622 120.500 -0.037 0.000 2.629 397 R HA 0.227 4.587 4.340 0.033 0.000 0.275 397 R C -2.458 173.696 176.300 -0.243 0.000 1.719 397 R CA -1.538 54.488 56.100 -0.123 0.000 1.472 397 R CB 1.300 31.556 30.300 -0.073 0.000 1.237 397 R HN 0.169 nan 8.270 nan 0.000 0.589 398 P HA -0.128 nan 4.420 nan 0.000 0.222 398 P C 0.384 177.355 177.300 -0.549 0.000 1.147 398 P CA 1.181 63.796 63.100 -0.809 0.000 0.790 398 P CB 0.284 30.920 31.700 -1.773 0.000 0.780 399 H N -1.680 117.284 119.070 -0.177 0.000 2.549 399 H HA 0.385 4.961 4.556 0.033 0.000 0.279 399 H C 1.475 176.764 175.328 -0.065 0.000 1.018 399 H CA 0.613 56.605 56.048 -0.094 0.000 1.175 399 H CB -0.062 29.642 29.762 -0.097 0.000 1.485 399 H HN 0.099 nan 8.280 nan 0.000 0.543 400 G N 1.505 110.299 108.800 -0.009 0.000 2.642 400 G HA2 -0.258 3.722 3.960 0.033 0.000 0.231 400 G HA3 -0.258 3.722 3.960 0.033 0.000 0.231 400 G C -0.313 174.581 174.900 -0.010 0.000 1.338 400 G CA -0.452 44.646 45.100 -0.004 0.000 0.883 400 G HN 0.162 nan 8.290 nan 0.000 0.570 401 I N 1.695 122.260 120.570 -0.010 0.000 2.496 401 I HA 0.137 4.327 4.170 0.033 0.000 0.285 401 I C 0.634 176.742 176.117 -0.015 0.000 1.080 401 I CA -0.446 60.845 61.300 -0.016 0.000 1.404 401 I CB 0.923 38.913 38.000 -0.016 0.000 1.403 401 I HN 0.570 nan 8.210 nan 0.000 0.539 402 N N 6.372 125.058 118.700 -0.024 0.000 2.414 402 N HA 0.069 4.829 4.740 0.033 0.000 0.256 402 N C 0.765 176.259 175.510 -0.026 0.000 1.029 402 N CA -0.190 52.842 53.050 -0.030 0.000 0.948 402 N CB 1.123 39.583 38.487 -0.046 0.000 1.102 402 N HN 0.336 nan 8.380 nan 0.000 0.496 403 Q N 1.430 121.216 119.800 -0.023 0.000 2.291 403 Q HA -0.052 4.308 4.340 0.033 0.000 0.205 403 Q C 0.686 176.672 176.000 -0.022 0.000 0.970 403 Q CA 1.127 56.918 55.803 -0.020 0.000 0.876 403 Q CB 0.043 28.770 28.738 -0.017 0.000 0.935 403 Q HN 0.780 nan 8.270 nan 0.000 0.455 404 S N -2.286 113.398 115.700 -0.027 0.000 2.780 404 S HA 0.519 5.009 4.470 0.033 0.000 0.248 404 S C 0.517 175.098 174.600 -0.032 0.000 1.036 404 S CA 0.059 58.243 58.200 -0.028 0.000 1.061 404 S CB 1.165 64.348 63.200 -0.027 0.000 1.037 404 S HN 0.284 nan 8.310 nan 0.000 0.584 405 G N 1.630 110.409 108.800 -0.035 0.000 2.340 405 G HA2 0.504 4.484 3.960 0.033 0.000 0.299 405 G HA3 0.504 4.484 3.960 0.033 0.000 0.299 405 G C -3.554 171.319 174.900 -0.045 0.000 1.291 405 G CA -0.837 44.239 45.100 -0.041 0.000 0.841 405 G HN 0.044 nan 8.290 nan 0.000 0.500 406 P HA 0.287 nan 4.420 nan 0.000 0.271 406 P C -2.435 174.813 177.300 -0.086 0.000 1.216 406 P CA -0.722 62.342 63.100 -0.060 0.000 0.776 406 P CB 0.877 32.539 31.700 -0.063 0.000 0.881 407 P HA 0.098 nan 4.420 nan 0.000 0.275 407 P C 0.903 178.084 177.300 -0.197 0.000 1.266 407 P CA -0.108 62.926 63.100 -0.110 0.000 0.793 407 P CB 0.896 32.549 31.700 -0.078 0.000 1.074 408 E N -0.561 119.498 120.200 -0.235 0.000 2.107 408 E HA -0.137 4.233 4.350 0.033 0.000 0.191 408 E C -0.255 175.835 176.600 -0.850 0.000 0.982 408 E CA 0.872 56.980 56.400 -0.487 0.000 0.809 408 E CB 0.081 29.450 29.700 -0.552 0.000 0.756 408 E HN 0.552 nan 8.360 nan 0.000 0.459 409 H N -1.368 117.484 119.070 -0.363 0.000 2.930 409 H HA 0.464 5.040 4.556 0.034 0.000 0.371 409 H C -1.209 173.708 175.328 -0.684 0.000 1.169 409 H CA -0.929 54.581 56.048 -0.897 0.000 1.157 409 H CB 1.918 30.805 29.762 -1.457 0.000 1.789 409 H HN -0.146 nan 8.280 nan 0.000 0.547 410 K N 2.218 122.337 120.400 -0.469 0.000 2.562 410 K HA 0.333 4.673 4.320 0.033 0.000 0.267 410 K C -1.351 175.413 176.600 0.273 0.000 0.938 410 K CA -0.653 55.595 56.287 -0.064 0.000 0.840 410 K CB 1.983 34.467 32.500 -0.028 0.000 1.390 410 K HN 0.482 nan 8.250 nan 0.000 0.428 411 L N 4.138 125.593 121.223 0.386 0.000 2.485 411 L HA 0.076 4.437 4.340 0.033 0.000 0.275 411 L C 1.166 178.263 176.870 0.377 0.000 1.207 411 L CA 0.004 55.115 54.840 0.453 0.000 0.855 411 L CB 0.142 42.423 42.059 0.371 0.000 1.114 411 L HN 0.728 nan 8.230 nan 0.000 0.485 412 F N 1.476 121.585 119.950 0.264 0.000 2.325 412 F HA 0.168 4.715 4.527 0.033 0.000 0.299 412 F C 1.063 176.992 175.800 0.215 0.000 1.090 412 F CA 0.730 58.853 58.000 0.205 0.000 1.392 412 F CB 0.326 39.430 39.000 0.173 0.000 1.053 412 F HN 0.418 nan 8.300 nan 0.000 0.521 413 G N -1.415 107.531 108.800 0.243 0.000 2.523 413 G HA2 0.392 4.372 3.960 0.033 0.000 0.291 413 G HA3 0.392 4.372 3.960 0.033 0.000 0.291 413 G C -2.281 172.819 174.900 0.334 0.000 1.450 413 G CA -0.657 44.581 45.100 0.231 0.000 0.790 413 G HN 0.006 nan 8.290 nan 0.000 0.496 414 F N 0.777 120.863 119.950 0.227 0.000 2.556 414 F HA 0.761 5.308 4.527 0.033 0.000 0.314 414 F C -0.407 175.575 175.800 0.303 0.000 1.106 414 F CA -0.544 57.602 58.000 0.244 0.000 0.911 414 F CB 2.621 41.781 39.000 0.267 0.000 1.190 414 F HN 0.441 nan 8.300 nan 0.000 0.448 415 T N 5.856 119.961 114.554 -0.750 0.000 2.786 415 T HA 0.221 4.591 4.350 0.033 0.000 0.283 415 T C -1.503 172.809 174.700 -0.646 0.000 0.992 415 T CA -0.255 61.611 62.100 -0.390 0.000 0.954 415 T CB 0.479 69.243 68.868 -0.174 0.000 0.934 415 T HN 0.500 nan 8.240 nan 0.000 0.440 416 Y N 4.021 124.223 120.300 -0.164 0.000 2.336 416 Y HA 0.502 5.073 4.550 0.034 0.000 0.335 416 Y C -0.999 174.929 175.900 0.046 0.000 1.046 416 Y CA -1.055 57.118 58.100 0.121 0.000 1.198 416 Y CB 0.391 39.165 38.460 0.524 0.000 1.182 416 Y HN 0.416 nan 8.280 nan 0.000 0.502 417 L N 7.878 128.804 121.223 -0.495 0.000 2.265 417 L HA 0.545 4.905 4.340 0.033 0.000 0.289 417 L C -0.370 176.184 176.870 -0.525 0.000 1.033 417 L CA -0.128 54.510 54.840 -0.337 0.000 0.814 417 L CB 1.100 43.011 42.059 -0.247 0.000 1.203 417 L HN 0.720 nan 8.230 nan 0.000 0.423 418 R N 3.049 123.478 120.500 -0.120 0.000 2.710 418 R HA 0.550 4.910 4.340 0.033 0.000 0.270 418 R C -1.491 174.944 176.300 0.226 0.000 1.021 418 R CA -1.056 55.102 56.100 0.098 0.000 0.889 418 R CB 1.184 31.516 30.300 0.054 0.000 1.243 418 R HN 0.351 nan 8.270 nan 0.000 0.464 419 L N 2.723 124.061 121.223 0.191 0.000 2.525 419 L HA 0.277 4.637 4.340 0.033 0.000 0.278 419 L C -0.842 176.101 176.870 0.122 0.000 1.218 419 L CA 1.407 56.328 54.840 0.135 0.000 0.878 419 L CB 0.750 42.870 42.059 0.102 0.000 1.127 419 L HN 0.852 nan 8.230 nan 0.000 0.492 420 S N 2.478 118.240 115.700 0.103 0.000 2.615 420 S HA 0.457 4.947 4.470 0.033 0.000 0.269 420 S C 0.393 175.016 174.600 0.038 0.000 1.161 420 S CA -0.804 57.443 58.200 0.079 0.000 0.817 420 S CB 0.801 64.064 63.200 0.105 0.000 1.131 420 S HN 0.586 nan 8.310 nan 0.000 0.467 421 N N 0.908 119.618 118.700 0.015 0.000 2.223 421 N HA -0.151 4.609 4.740 0.033 0.000 0.185 421 N C 1.705 177.197 175.510 -0.030 0.000 1.016 421 N CA 1.656 54.697 53.050 -0.015 0.000 0.863 421 N CB -0.439 38.036 38.487 -0.020 0.000 0.983 421 N HN 0.836 nan 8.380 nan 0.000 0.429 422 Q N 0.623 120.406 119.800 -0.028 0.000 2.167 422 Q HA -0.101 4.259 4.340 0.033 0.000 0.202 422 Q C 2.041 177.983 176.000 -0.097 0.000 0.970 422 Q CA 0.790 56.538 55.803 -0.093 0.000 0.855 422 Q CB -0.093 28.559 28.738 -0.143 0.000 0.911 422 Q HN 0.209 nan 8.270 nan 0.000 0.438 423 L N 0.884 122.121 121.223 0.022 0.000 2.046 423 L HA -0.086 4.274 4.340 0.033 0.000 0.208 423 L C 1.884 178.799 176.870 0.075 0.000 1.077 423 L CA 1.611 56.512 54.840 0.102 0.000 0.747 423 L CB -0.167 41.950 42.059 0.097 0.000 0.896 423 L HN 0.321 nan 8.230 nan 0.000 0.432 424 V N -1.925 117.991 119.914 0.003 0.000 3.331 424 V HA 0.266 4.406 4.120 0.033 0.000 0.332 424 V C 0.191 176.168 176.094 -0.195 0.000 1.341 424 V CA -0.039 62.211 62.300 -0.083 0.000 1.218 424 V CB -1.452 30.259 31.823 -0.187 0.000 1.152 424 V HN 0.590 nan 8.190 nan 0.000 0.445 425 E N -0.566 119.614 120.200 -0.034 0.000 2.359 425 E HA 0.747 5.117 4.350 0.033 0.000 0.266 425 E C 0.494 177.134 176.600 0.066 0.000 0.920 425 E CA -0.439 55.946 56.400 -0.026 0.000 0.788 425 E CB 1.804 31.474 29.700 -0.050 0.000 1.279 425 E HN 0.582 nan 8.360 nan 0.000 0.438 426 G N 1.504 110.342 108.800 0.065 0.000 2.564 426 G HA2 -0.437 3.543 3.960 0.033 0.000 0.273 426 G HA3 -0.437 3.543 3.960 0.033 0.000 0.273 426 G C 0.703 175.665 174.900 0.104 0.000 1.242 426 G CA 0.815 45.953 45.100 0.064 0.000 0.951 426 G HN 0.664 nan 8.290 nan 0.000 0.564 427 Q N 0.022 119.864 119.800 0.070 0.000 2.119 427 Q HA -0.041 4.319 4.340 0.033 0.000 0.201 427 Q C 2.542 178.612 176.000 0.117 0.000 0.972 427 Q CA 2.464 58.314 55.803 0.079 0.000 0.847 427 Q CB -0.474 28.297 28.738 0.055 0.000 0.903 427 Q HN 0.580 nan 8.270 nan 0.000 0.433 428 N N -0.727 118.041 118.700 0.112 0.000 2.061 428 N HA -0.200 4.560 4.740 0.033 0.000 0.193 428 N C 1.391 177.056 175.510 0.258 0.000 1.030 428 N CA 1.499 54.658 53.050 0.182 0.000 0.856 428 N CB -0.631 37.885 38.487 0.049 0.000 1.023 428 N HN 0.372 nan 8.380 nan 0.000 0.424 429 Y N 1.374 121.731 120.300 0.095 0.000 2.200 429 Y HA -0.022 4.548 4.550 0.033 0.000 0.290 429 Y C 2.270 178.244 175.900 0.123 0.000 1.137 429 Y CA 1.299 59.465 58.100 0.111 0.000 1.163 429 Y CB -0.649 37.845 38.460 0.056 0.000 0.988 429 Y HN 0.078 nan 8.280 nan 0.000 0.518 430 A N 0.640 123.480 122.820 0.033 0.000 1.883 430 A HA -0.256 4.084 4.320 0.033 0.000 0.217 430 A C 2.074 179.602 177.584 -0.094 0.000 1.186 430 A CA 2.085 54.081 52.037 -0.069 0.000 0.624 430 A CB -0.823 18.187 19.000 0.018 0.000 0.822 430 A HN 0.581 nan 8.150 nan 0.000 0.444 431 N N -1.082 117.626 118.700 0.015 0.000 2.120 431 N HA -0.120 4.640 4.740 0.033 0.000 0.188 431 N C 1.420 176.812 175.510 -0.196 0.000 1.024 431 N CA 1.483 54.549 53.050 0.026 0.000 0.852 431 N CB -0.645 37.995 38.487 0.256 0.000 1.003 431 N HN 0.543 nan 8.380 nan 0.000 0.424 432 F N 2.418 122.197 119.950 -0.284 0.000 2.102 432 F HA -0.098 4.449 4.527 0.033 0.000 0.298 432 F C 2.268 177.825 175.800 -0.406 0.000 1.105 432 F CA 1.358 59.086 58.000 -0.453 0.000 1.239 432 F CB -0.096 38.763 39.000 -0.237 0.000 0.991 432 F HN -0.131 nan 8.300 nan 0.000 0.474 433 K N 0.081 120.201 120.400 -0.467 0.000 2.063 433 K HA -0.152 4.188 4.320 0.033 0.000 0.208 433 K C 1.888 178.211 176.600 -0.462 0.000 1.048 433 K CA 2.097 58.073 56.287 -0.518 0.000 0.928 433 K CB -0.752 31.443 32.500 -0.509 0.000 0.713 433 K HN 0.306 nan 8.250 nan 0.000 0.442 434 T N 1.266 115.604 114.554 -0.360 0.000 2.746 434 T HA -0.135 4.235 4.350 0.033 0.000 0.267 434 T C 1.503 175.998 174.700 -0.342 0.000 1.039 434 T CA 1.298 63.228 62.100 -0.284 0.000 1.142 434 T CB -0.434 68.326 68.868 -0.180 0.000 0.866 434 T HN 0.312 nan 8.240 nan 0.000 0.444 435 F N 2.436 122.006 119.950 -0.634 0.000 2.091 435 F HA -0.179 4.368 4.527 0.034 0.000 0.299 435 F C 2.146 177.543 175.800 -0.671 0.000 1.103 435 F CA 0.922 58.499 58.000 -0.705 0.000 1.228 435 F CB -0.833 37.444 39.000 -1.205 0.000 0.984 435 F HN -0.056 nan 8.300 nan 0.000 0.477 436 V N 0.775 120.071 119.914 -1.031 0.000 2.343 436 V HA -0.303 3.837 4.120 0.033 0.000 0.247 436 V C 2.221 177.749 176.094 -0.944 0.000 1.051 436 V CA 2.150 63.766 62.300 -1.141 0.000 1.036 436 V CB -0.859 30.390 31.823 -0.956 0.000 0.654 436 V HN 0.290 nan 8.190 nan 0.000 0.451 437 D N 0.053 120.090 120.400 -0.604 0.000 2.116 437 D HA -0.165 4.495 4.640 0.033 0.000 0.193 437 D C 2.423 178.504 176.300 -0.365 0.000 0.998 437 D CA 1.210 54.976 54.000 -0.389 0.000 0.836 437 D CB -0.298 40.348 40.800 -0.257 0.000 0.951 437 D HN 0.280 nan 8.370 nan 0.000 0.449 438 R N 0.018 120.288 120.500 -0.384 0.000 2.081 438 R HA 0.001 4.361 4.340 0.033 0.000 0.235 438 R C 2.255 178.347 176.300 -0.347 0.000 1.131 438 R CA 0.535 56.460 56.100 -0.291 0.000 0.960 438 R CB -0.609 29.564 30.300 -0.213 0.000 0.856 438 R HN 0.312 nan 8.270 nan 0.000 0.436 439 M N 0.078 119.331 119.600 -0.578 0.000 2.159 439 M HA -0.130 4.370 4.480 0.033 0.000 0.263 439 M C 1.433 177.490 176.300 -0.404 0.000 1.063 439 M CA 1.543 56.514 55.300 -0.548 0.000 1.110 439 M CB -0.938 31.155 32.600 -0.845 0.000 1.374 439 M HN 0.310 nan 8.290 nan 0.000 0.411 440 H N -0.117 118.599 119.070 -0.591 0.000 2.547 440 H HA 0.288 4.864 4.556 0.033 0.000 0.274 440 H C 0.921 176.067 175.328 -0.305 0.000 1.024 440 H CA 0.009 55.634 56.048 -0.705 0.000 1.155 440 H CB 0.042 29.378 29.762 -0.710 0.000 1.344 440 H HN 0.497 nan 8.280 nan 0.000 0.598 441 A N 1.575 124.326 122.820 -0.117 0.000 2.832 441 A HA -0.318 4.022 4.320 0.033 0.000 0.280 441 A C 0.730 178.290 177.584 -0.041 0.000 1.464 441 A CA 0.693 52.694 52.037 -0.059 0.000 0.804 441 A CB -2.061 16.933 19.000 -0.010 0.000 1.020 441 A HN 0.812 nan 8.150 nan 0.000 0.563 442 N N -3.062 115.597 118.700 -0.068 0.000 2.741 442 N HA -0.185 4.575 4.740 0.033 0.000 0.251 442 N C -0.090 175.411 175.510 -0.014 0.000 1.112 442 N CA 1.802 54.820 53.050 -0.054 0.000 0.750 442 N CB -1.579 36.877 38.487 -0.052 0.000 1.119 442 N HN 0.855 nan 8.380 nan 0.000 0.561 443 L N 0.548 121.786 121.223 0.025 0.000 2.352 443 L HA 0.583 4.943 4.340 0.033 0.000 0.269 443 L C -1.494 175.423 176.870 0.078 0.000 1.034 443 L CA -1.674 53.201 54.840 0.059 0.000 0.806 443 L CB 0.782 42.910 42.059 0.114 0.000 1.244 443 L HN -0.147 nan 8.230 nan 0.000 0.447 444 P HA 0.077 nan 4.420 nan 0.000 0.274 444 P C -0.824 176.527 177.300 0.086 0.000 1.256 444 P CA -0.638 62.501 63.100 0.066 0.000 0.795 444 P CB 0.555 32.276 31.700 0.034 0.000 1.038 445 R N 1.034 121.578 120.500 0.073 0.000 2.585 445 R HA 0.012 4.372 4.340 0.033 0.000 0.275 445 R C -0.217 176.071 176.300 -0.020 0.000 1.018 445 R CA 0.329 56.448 56.100 0.032 0.000 1.072 445 R CB -0.181 30.151 30.300 0.054 0.000 0.953 445 R HN 0.398 nan 8.270 nan 0.000 0.419 446 D N 5.753 126.081 120.400 -0.120 0.000 2.460 446 D HA 0.235 4.895 4.640 0.033 0.000 0.232 446 D C -1.842 174.348 176.300 -0.182 0.000 1.079 446 D CA -2.499 51.372 54.000 -0.214 0.000 0.864 446 D CB 1.801 42.310 40.800 -0.485 0.000 1.048 446 D HN 0.325 nan 8.370 nan 0.000 0.523 447 P HA -0.068 nan 4.420 nan 0.000 0.230 447 P C 0.496 177.630 177.300 -0.276 0.000 1.158 447 P CA 0.700 63.669 63.100 -0.219 0.000 0.769 447 P CB 0.074 31.601 31.700 -0.290 0.000 0.807 448 Y N -1.416 118.815 120.300 -0.115 0.000 2.457 448 Y HA 0.163 4.733 4.550 0.033 0.000 0.263 448 Y C 1.343 177.168 175.900 -0.125 0.000 1.164 448 Y CA -0.437 57.606 58.100 -0.095 0.000 1.274 448 Y CB -0.049 38.360 38.460 -0.086 0.000 1.097 448 Y HN -0.255 nan 8.280 nan 0.000 0.523 449 V N 1.625 121.486 119.914 -0.088 0.000 2.843 449 V HA -0.009 4.131 4.120 0.033 0.000 0.305 449 V C 0.138 176.185 176.094 -0.079 0.000 1.065 449 V CA -0.146 62.046 62.300 -0.181 0.000 1.116 449 V CB 0.361 31.899 31.823 -0.476 0.000 0.968 449 V HN 0.523 nan 8.190 nan 0.000 0.487 450 D N 3.510 123.882 120.400 -0.046 0.000 2.737 450 D HA -0.116 4.544 4.640 0.033 0.000 0.238 450 D C -2.108 174.266 176.300 0.123 0.000 1.157 450 D CA 0.612 54.642 54.000 0.050 0.000 0.694 450 D CB -0.942 39.802 40.800 -0.092 0.000 1.021 450 D HN 0.633 nan 8.370 nan 0.000 0.420 451 P HA 0.071 nan 4.420 nan 0.000 0.269 451 P C 0.254 177.630 177.300 0.127 0.000 1.209 451 P CA -0.226 62.940 63.100 0.109 0.000 0.776 451 P CB 0.777 32.531 31.700 0.091 0.000 0.876 452 M N 1.363 121.033 119.600 0.117 0.000 2.336 452 M HA 0.437 4.937 4.480 0.033 0.000 0.342 452 M C 0.374 176.718 176.300 0.074 0.000 1.128 452 M CA -0.749 54.613 55.300 0.104 0.000 1.016 452 M CB 1.961 34.626 32.600 0.108 0.000 1.665 452 M HN 0.406 nan 8.290 nan 0.000 0.445 453 A N 4.854 127.709 122.820 0.057 0.000 2.332 453 A HA 0.609 4.949 4.320 0.033 0.000 0.258 453 A C -2.336 175.275 177.584 0.046 0.000 1.087 453 A CA -1.180 50.882 52.037 0.042 0.000 0.802 453 A CB -0.614 18.404 19.000 0.030 0.000 1.042 453 A HN 0.480 nan 8.150 nan 0.000 0.489 454 P HA 0.068 nan 4.420 nan 0.000 0.262 454 P C -0.395 176.934 177.300 0.048 0.000 1.182 454 P CA -0.020 63.099 63.100 0.032 0.000 0.761 454 P CB 0.173 31.870 31.700 -0.004 0.000 0.795 455 L N 7.312 128.583 121.223 0.080 0.000 2.562 455 L HA 0.220 4.580 4.340 0.033 0.000 0.271 455 L C -2.179 174.735 176.870 0.073 0.000 1.167 455 L CA -1.265 53.629 54.840 0.089 0.000 0.917 455 L CB -0.463 41.682 42.059 0.143 0.000 1.187 455 L HN 0.290 nan 8.230 nan 0.000 0.482 456 P HA 0.246 nan 4.420 nan 0.000 0.278 456 P C -1.189 176.146 177.300 0.059 0.000 1.258 456 P CA -0.787 62.341 63.100 0.046 0.000 0.811 456 P CB 0.539 32.257 31.700 0.030 0.000 1.063 457 R N 0.991 121.520 120.500 0.049 0.000 2.590 457 R HA 0.202 4.562 4.340 0.033 0.000 0.274 457 R C -0.203 176.125 176.300 0.048 0.000 1.061 457 R CA 0.431 56.565 56.100 0.057 0.000 1.081 457 R CB -0.615 29.710 30.300 0.042 0.000 0.984 457 R HN 0.412 nan 8.270 nan 0.000 0.448 458 S N 1.946 117.689 115.700 0.070 0.000 2.561 458 S HA 0.116 4.606 4.470 0.033 0.000 0.294 458 S C 0.575 175.155 174.600 -0.033 0.000 1.294 458 S CA 0.208 58.418 58.200 0.017 0.000 1.055 458 S CB 0.517 63.761 63.200 0.075 0.000 0.819 458 S HN 0.777 nan 8.310 nan 0.000 0.503 459 G N 2.591 111.343 108.800 -0.079 0.000 2.653 459 G HA2 0.399 4.379 3.960 0.033 0.000 0.265 459 G HA3 0.399 4.379 3.960 0.033 0.000 0.265 459 G C -2.707 172.149 174.900 -0.073 0.000 1.237 459 G CA -1.324 43.738 45.100 -0.063 0.000 0.946 459 G HN 0.454 nan 8.290 nan 0.000 0.522 460 P HA 0.050 nan 4.420 nan 0.000 0.264 460 P C 0.060 177.331 177.300 -0.048 0.000 1.183 460 P CA 0.108 63.188 63.100 -0.034 0.000 0.763 460 P CB 0.472 32.160 31.700 -0.020 0.000 0.807 461 E N 3.115 123.298 120.200 -0.029 0.000 2.465 461 E HA 0.069 4.439 4.350 0.033 0.000 0.260 461 E C -0.088 176.505 176.600 -0.012 0.000 0.980 461 E CA -0.198 56.191 56.400 -0.019 0.000 0.927 461 E CB 0.064 29.770 29.700 0.010 0.000 0.934 461 E HN 0.383 nan 8.360 nan 0.000 0.459 462 I N 1.114 121.676 120.570 -0.012 0.000 2.562 462 I HA 0.423 4.613 4.170 0.033 0.000 0.301 462 I C 0.148 176.273 176.117 0.012 0.000 1.003 462 I CA -1.026 60.273 61.300 -0.002 0.000 1.127 462 I CB 1.884 39.878 38.000 -0.009 0.000 1.304 462 I HN 0.417 nan 8.210 nan 0.000 0.446 463 S N 4.150 119.860 115.700 0.017 0.000 2.600 463 S HA 0.163 4.653 4.470 0.033 0.000 0.265 463 S C 0.929 175.544 174.600 0.026 0.000 1.325 463 S CA -0.482 57.733 58.200 0.025 0.000 1.002 463 S CB 1.317 64.533 63.200 0.028 0.000 0.921 463 S HN 0.762 nan 8.310 nan 0.000 0.554 464 I N 1.363 121.952 120.570 0.032 0.000 2.264 464 I HA -0.122 4.068 4.170 0.033 0.000 0.248 464 I C 2.140 178.275 176.117 0.029 0.000 1.111 464 I CA 1.671 62.989 61.300 0.030 0.000 1.382 464 I CB -0.785 37.235 38.000 0.035 0.000 1.060 464 I HN 0.827 nan 8.210 nan 0.000 0.418 465 E N -0.311 119.909 120.200 0.034 0.000 2.110 465 E HA -0.227 4.143 4.350 0.033 0.000 0.193 465 E C 2.192 178.805 176.600 0.021 0.000 0.988 465 E CA 1.727 58.146 56.400 0.032 0.000 0.804 465 E CB -0.358 29.364 29.700 0.037 0.000 0.745 465 E HN 0.486 nan 8.360 nan 0.000 0.458 466 M N -0.235 119.376 119.600 0.018 0.000 2.132 466 M HA -0.100 4.400 4.480 0.033 0.000 0.263 466 M C 2.126 178.430 176.300 0.008 0.000 1.065 466 M CA 1.260 56.567 55.300 0.012 0.000 1.122 466 M CB -0.240 32.366 32.600 0.010 0.000 1.365 466 M HN 0.085 nan 8.290 nan 0.000 0.411 467 I N 0.266 120.841 120.570 0.009 0.000 2.208 467 I HA -0.299 3.891 4.170 0.033 0.000 0.245 467 I C 2.085 178.201 176.117 -0.002 0.000 1.097 467 I CA 1.271 62.574 61.300 0.006 0.000 1.363 467 I CB -0.339 37.668 38.000 0.012 0.000 1.051 467 I HN 0.284 nan 8.210 nan 0.000 0.413 468 L N 0.185 121.408 121.223 -0.000 0.000 2.465 468 L HA -0.139 4.222 4.340 0.033 0.000 0.224 468 L C 2.437 179.296 176.870 -0.019 0.000 1.145 468 L CA 0.461 55.294 54.840 -0.012 0.000 0.834 468 L CB -0.570 41.489 42.059 0.000 0.000 0.944 468 L HN 0.362 nan 8.230 nan 0.000 0.451 469 Q N 0.260 120.054 119.800 -0.009 0.000 2.248 469 Q HA -0.201 4.159 4.340 0.033 0.000 0.208 469 Q C 2.324 178.312 176.000 -0.021 0.000 0.984 469 Q CA 1.645 57.441 55.803 -0.012 0.000 0.875 469 Q CB -0.200 28.536 28.738 -0.003 0.000 0.910 469 Q HN 0.560 nan 8.270 nan 0.000 0.433 470 A N 0.602 123.408 122.820 -0.022 0.000 2.168 470 A HA 0.089 4.429 4.320 0.033 0.000 0.215 470 A C 2.214 179.767 177.584 -0.051 0.000 1.152 470 A CA 1.138 53.159 52.037 -0.027 0.000 0.716 470 A CB -0.280 18.709 19.000 -0.019 0.000 0.794 470 A HN 0.340 nan 8.150 nan 0.000 0.465 471 A N -1.347 121.431 122.820 -0.070 0.000 1.968 471 A HA 0.099 4.439 4.320 0.033 0.000 0.217 471 A C 1.057 178.572 177.584 -0.115 0.000 1.169 471 A CA 0.881 52.851 52.037 -0.112 0.000 0.638 471 A CB -0.016 18.898 19.000 -0.143 0.000 0.812 471 A HN 0.604 nan 8.150 nan 0.000 0.446 472 Q N -0.865 118.884 119.800 -0.086 0.000 2.418 472 Q HA 0.402 4.762 4.340 0.033 0.000 0.282 472 Q C -2.911 173.057 176.000 -0.053 0.000 1.044 472 Q CA -2.092 53.662 55.803 -0.082 0.000 0.813 472 Q CB 1.953 30.638 28.738 -0.088 0.000 1.428 472 Q HN 0.142 nan 8.270 nan 0.000 0.402 473 P HA 0.046 nan 4.420 nan 0.000 0.269 473 P C -0.860 176.401 177.300 -0.065 0.000 1.209 473 P CA -0.330 62.736 63.100 -0.056 0.000 0.776 473 P CB 0.597 32.274 31.700 -0.037 0.000 0.876 474 K N 2.588 122.939 120.400 -0.082 0.000 2.379 474 K HA 0.234 4.574 4.320 0.033 0.000 0.284 474 K C -0.644 175.922 176.600 -0.058 0.000 1.044 474 K CA 0.196 56.435 56.287 -0.081 0.000 0.974 474 K CB -0.400 32.039 32.500 -0.103 0.000 0.962 474 K HN 0.380 nan 8.250 nan 0.000 0.474 475 L N 4.211 125.398 121.223 -0.061 0.000 2.334 475 L HA 0.344 4.704 4.340 0.033 0.000 0.275 475 L C 0.425 177.251 176.870 -0.073 0.000 1.036 475 L CA -1.161 53.638 54.840 -0.068 0.000 0.807 475 L CB 1.666 43.671 42.059 -0.091 0.000 1.231 475 L HN 0.673 nan 8.230 nan 0.000 0.438 476 Q N 2.606 122.368 119.800 -0.063 0.000 2.395 476 Q HA 0.137 4.497 4.340 0.033 0.000 0.271 476 Q C -2.084 173.844 176.000 -0.119 0.000 1.026 476 Q CA -1.363 54.409 55.803 -0.053 0.000 0.900 476 Q CB 0.089 28.817 28.738 -0.017 0.000 1.266 476 Q HN 0.344 nan 8.270 nan 0.000 0.430 477 P HA 0.030 nan 4.420 nan 0.000 0.274 477 P C -0.841 176.449 177.300 -0.016 0.000 1.246 477 P CA -0.167 62.883 63.100 -0.084 0.000 0.795 477 P CB 0.456 32.134 31.700 -0.037 0.000 1.006 478 F N 0.761 120.868 119.950 0.261 0.000 2.545 478 F HA 0.158 4.705 4.527 0.034 0.000 0.348 478 F C -1.225 174.856 175.800 0.468 0.000 1.163 478 F CA -1.404 56.809 58.000 0.354 0.000 1.331 478 F CB -1.102 38.130 39.000 0.387 0.000 1.138 478 F HN 0.202 nan 8.300 nan 0.000 0.602 479 P HA 0.107 nan 4.420 nan 0.000 0.271 479 P C -0.992 176.667 177.300 0.598 0.000 1.220 479 P CA 0.142 63.545 63.100 0.507 0.000 0.768 479 P CB 0.303 32.212 31.700 0.350 0.000 0.848 480 F N 1.126 121.185 119.950 0.181 0.000 2.495 480 F HA 0.312 4.859 4.527 0.034 0.000 0.327 480 F C 1.180 177.031 175.800 0.085 0.000 1.103 480 F CA -0.622 57.441 58.000 0.105 0.000 0.949 480 F CB 1.494 40.533 39.000 0.066 0.000 1.142 480 F HN 0.241 nan 8.300 nan 0.000 0.457 481 Q N 1.492 121.395 119.800 0.172 0.000 2.395 481 Q HA -0.020 4.340 4.340 0.033 0.000 0.271 481 Q C 0.997 177.055 176.000 0.096 0.000 1.026 481 Q CA 0.081 55.959 55.803 0.126 0.000 0.900 481 Q CB 0.839 29.629 28.738 0.086 0.000 1.266 481 Q HN 0.619 nan 8.270 nan 0.000 0.430 482 E N 1.535 121.761 120.200 0.043 0.000 2.106 482 E HA -0.139 4.231 4.350 0.033 0.000 0.192 482 E C -0.263 176.121 176.600 -0.360 0.000 0.984 482 E CA 1.509 57.836 56.400 -0.122 0.000 0.806 482 E CB 0.370 30.015 29.700 -0.093 0.000 0.750 482 E HN 0.459 nan 8.360 nan 0.000 0.458 483 H N -1.198 117.909 119.070 0.062 0.000 2.768 483 H HA 0.206 4.782 4.556 0.034 0.000 0.371 483 H C -0.706 174.646 175.328 0.039 0.000 1.151 483 H CA -0.489 55.586 56.048 0.046 0.000 1.165 483 H CB 1.399 31.180 29.762 0.033 0.000 1.722 483 H HN -0.007 nan 8.280 nan 0.000 0.543 484 T N 0.880 115.526 114.554 0.153 0.000 2.937 484 T HA -0.076 4.294 4.350 0.033 0.000 0.316 484 T C 1.023 175.769 174.700 0.077 0.000 1.079 484 T CA -0.101 62.052 62.100 0.087 0.000 1.131 484 T CB 0.161 69.067 68.868 0.064 0.000 1.000 484 T HN 0.684 nan 8.240 nan 0.000 0.549 485 D N 3.121 123.548 120.400 0.044 0.000 2.340 485 D HA 0.021 4.681 4.640 0.033 0.000 0.220 485 D C 0.551 176.856 176.300 0.009 0.000 1.039 485 D CA 0.128 54.145 54.000 0.028 0.000 0.866 485 D CB -0.026 40.787 40.800 0.022 0.000 0.913 485 D HN 0.324 nan 8.370 nan 0.000 0.523 486 L N 1.188 122.414 121.223 0.004 0.000 2.725 486 L HA 0.340 4.700 4.340 0.033 0.000 0.270 486 L C -2.589 174.274 176.870 -0.012 0.000 1.422 486 L CA -1.777 53.053 54.840 -0.016 0.000 0.770 486 L CB 1.232 43.270 42.059 -0.035 0.000 1.081 486 L HN -0.229 nan 8.230 nan 0.000 0.527 487 P HA 0.051 nan 4.420 nan 0.000 0.271 487 P C 1.370 178.671 177.300 0.002 0.000 1.233 487 P CA 0.015 63.126 63.100 0.018 0.000 0.789 487 P CB 1.100 32.811 31.700 0.019 0.000 0.951 488 V N -1.578 118.349 119.914 0.021 0.000 2.407 488 V HA 0.076 4.216 4.120 0.033 0.000 0.248 488 V C 1.149 177.237 176.094 -0.011 0.000 1.055 488 V CA 1.466 63.766 62.300 -0.000 0.000 1.049 488 V CB -2.135 29.705 31.823 0.030 0.000 0.662 488 V HN 1.027 nan 8.190 nan 0.000 0.455 489 G N 0.000 108.801 108.800 0.002 0.000 5.446 489 G HA2 0.000 3.980 3.960 0.033 0.000 0.244 489 G HA3 0.000 3.980 3.960 0.033 0.000 0.244 489 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 489 G HN 0.000 nan 8.290 nan 0.000 0.925