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 3aet_1_A DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KMQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVMIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAMVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRMLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFMFPDSQLE DATA SEQUENCE IPLARFLARE CGMKTTEIAT PFLHKAIMAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLNG 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.313 174.700 -0.646 0.000 1.109 7 T CA 0.000 61.873 62.100 -0.379 0.000 1.349 7 T CB 0.000 68.570 68.868 -0.496 0.000 0.612 8 F N 2.031 121.972 119.950 -0.015 0.000 2.824 8 F HA 0.729 5.251 4.527 -0.007 0.000 0.375 8 F C 0.527 176.320 175.800 -0.012 0.000 1.190 8 F CA -0.572 57.419 58.000 -0.015 0.000 1.180 8 F CB 1.835 40.828 39.000 -0.012 0.000 1.477 8 F HN 0.461 nan 8.300 nan 0.000 0.542 9 G N -0.011 108.855 108.800 0.111 0.000 2.476 9 G HA2 0.366 4.321 3.960 -0.007 0.000 0.309 9 G HA3 0.366 4.321 3.960 -0.007 0.000 0.309 9 G C -1.035 173.882 174.900 0.029 0.000 1.575 9 G CA -0.506 44.635 45.100 0.068 0.000 0.913 9 G HN 0.474 nan 8.290 nan 0.000 0.623 10 C N 1.830 121.144 119.300 0.024 0.000 3.772 10 C HA 0.261 4.716 4.460 -0.007 0.000 0.293 10 C C 2.480 177.471 174.990 0.002 0.000 1.659 10 C CA 0.828 59.850 59.018 0.006 0.000 1.810 10 C CB -0.657 27.085 27.740 0.004 0.000 3.059 10 C HN 0.991 nan 8.230 nan 0.000 0.617 11 T N -1.968 112.589 114.554 0.006 0.000 2.803 11 T HA -0.155 4.191 4.350 -0.007 0.000 0.269 11 T C 0.879 175.576 174.700 -0.004 0.000 1.052 11 T CA 1.812 63.913 62.100 0.002 0.000 1.136 11 T CB -0.188 68.683 68.868 0.005 0.000 0.864 11 T HN 0.438 nan 8.240 nan 0.000 0.467 12 D N 1.133 121.530 120.400 -0.006 0.000 2.363 12 D HA 0.227 4.863 4.640 -0.007 0.000 0.214 12 D C 0.041 176.333 176.300 -0.013 0.000 1.093 12 D CA 0.011 54.006 54.000 -0.009 0.000 0.837 12 D CB 0.316 41.111 40.800 -0.008 0.000 0.948 12 D HN 0.319 nan 8.370 nan 0.000 0.507 13 S N 2.499 118.190 115.700 -0.015 0.000 2.549 13 S HA 0.158 4.624 4.470 -0.007 0.000 0.283 13 S C -2.126 172.462 174.600 -0.021 0.000 1.320 13 S CA -0.754 57.434 58.200 -0.020 0.000 1.058 13 S CB 0.920 64.105 63.200 -0.024 0.000 0.882 13 S HN 0.130 nan 8.310 nan 0.000 0.498 14 P HA 0.174 nan 4.420 nan 0.000 0.282 14 P C -0.561 176.724 177.300 -0.026 0.000 1.274 14 P CA -0.390 62.698 63.100 -0.020 0.000 0.770 14 P CB 0.683 32.373 31.700 -0.016 0.000 0.867 15 V N 5.175 125.072 119.914 -0.028 0.000 2.455 15 V HA 0.149 4.265 4.120 -0.007 0.000 0.273 15 V C 0.805 176.883 176.094 -0.026 0.000 1.045 15 V CA -0.742 61.537 62.300 -0.034 0.000 0.976 15 V CB 0.033 31.829 31.823 -0.044 0.000 0.993 15 V HN 0.557 nan 8.190 nan 0.000 0.475 16 R N 7.513 127.997 120.500 -0.027 0.000 2.498 16 R HA 0.115 4.451 4.340 -0.007 0.000 0.334 16 R C 0.021 176.316 176.300 -0.009 0.000 1.106 16 R CA -0.146 55.944 56.100 -0.016 0.000 0.995 16 R CB -0.036 30.253 30.300 -0.020 0.000 0.989 16 R HN 0.748 nan 8.270 nan 0.000 0.455 17 R N 3.880 124.380 120.500 0.000 0.000 2.291 17 R HA 0.030 4.365 4.340 -0.007 0.000 0.333 17 R C -0.361 175.953 176.300 0.022 0.000 1.082 17 R CA 0.114 56.222 56.100 0.014 0.000 0.948 17 R CB 0.563 30.875 30.300 0.020 0.000 1.009 17 R HN 0.598 nan 8.270 nan 0.000 0.460 18 E N 2.801 123.019 120.200 0.029 0.000 2.222 18 E HA 0.297 4.642 4.350 -0.007 0.000 0.267 18 E C -0.800 175.826 176.600 0.043 0.000 0.884 18 E CA -0.720 55.700 56.400 0.032 0.000 0.764 18 E CB 1.866 31.582 29.700 0.027 0.000 1.169 18 E HN 0.354 nan 8.360 nan 0.000 0.413 19 R N 2.069 122.593 120.500 0.040 0.000 2.960 19 R HA 0.805 5.141 4.340 -0.007 0.000 0.249 19 R C -0.396 175.928 176.300 0.039 0.000 1.192 19 R CA 0.078 56.203 56.100 0.042 0.000 1.035 19 R CB 1.796 32.119 30.300 0.038 0.000 1.234 19 R HN 0.750 nan 8.270 nan 0.000 0.493 20 G N 0.482 109.304 108.800 0.037 0.000 2.298 20 G HA2 -0.149 3.806 3.960 -0.007 0.000 0.309 20 G HA3 -0.149 3.806 3.960 -0.007 0.000 0.309 20 G C -1.539 173.382 174.900 0.035 0.000 1.279 20 G CA -0.707 44.414 45.100 0.034 0.000 1.042 20 G HN 0.554 nan 8.290 nan 0.000 0.480 21 Q N 0.631 120.451 119.800 0.033 0.000 2.300 21 Q HA 0.379 4.714 4.340 -0.007 0.000 0.280 21 Q C -0.294 175.728 176.000 0.036 0.000 1.033 21 Q CA 0.421 56.240 55.803 0.027 0.000 0.903 21 Q CB 0.255 29.006 28.738 0.023 0.000 1.195 21 Q HN 0.417 nan 8.270 nan 0.000 0.386 22 K N 1.833 122.248 120.400 0.025 0.000 2.318 22 K HA 0.606 4.921 4.320 -0.007 0.000 0.249 22 K C -1.298 175.302 176.600 0.001 0.000 0.942 22 K CA -0.768 55.538 56.287 0.032 0.000 0.808 22 K CB 2.055 34.577 32.500 0.036 0.000 1.189 22 K HN 0.561 nan 8.250 nan 0.000 0.428 23 A N 2.163 124.989 122.820 0.010 0.000 2.938 23 A HA 0.434 4.750 4.320 -0.007 0.000 0.344 23 A C -0.341 177.218 177.584 -0.041 0.000 1.142 23 A CA -0.565 51.443 52.037 -0.049 0.000 0.841 23 A CB -0.106 18.858 19.000 -0.060 0.000 1.083 23 A HN 0.475 nan 8.150 nan 0.000 0.479 24 V N -2.305 117.572 119.914 -0.062 0.000 3.141 24 V HA 0.852 4.967 4.120 -0.007 0.000 0.312 24 V C -0.742 175.273 176.094 -0.132 0.000 1.157 24 V CA -1.392 60.904 62.300 -0.007 0.000 1.041 24 V CB 1.482 33.363 31.823 0.096 0.000 1.071 24 V HN 0.363 nan 8.190 nan 0.000 0.441 25 F N 1.599 121.494 119.950 -0.091 0.000 2.385 25 F HA 0.622 5.144 4.527 -0.008 0.000 0.336 25 F C 1.253 177.061 175.800 0.013 0.000 1.100 25 F CA -0.110 57.834 58.000 -0.094 0.000 1.116 25 F CB 1.024 39.875 39.000 -0.247 0.000 1.166 25 F HN 1.025 nan 8.300 nan 0.000 0.511 26 C N 1.113 120.505 119.300 0.152 0.000 2.705 26 C HA 0.415 4.871 4.460 -0.007 0.000 0.365 26 C C 1.908 176.977 174.990 0.132 0.000 1.353 26 C CA -0.209 58.875 59.018 0.110 0.000 2.339 26 C CB 0.053 27.818 27.740 0.041 0.000 2.576 26 C HN 1.064 nan 8.230 nan 0.000 0.716 27 G N 0.206 109.045 108.800 0.064 0.000 2.498 27 G HA2 -0.079 3.876 3.960 -0.007 0.000 0.219 27 G HA3 -0.079 3.876 3.960 -0.007 0.000 0.219 27 G C 1.121 175.975 174.900 -0.076 0.000 1.119 27 G CA 0.658 45.761 45.100 0.005 0.000 0.766 27 G HN 0.708 nan 8.290 nan 0.000 0.552 28 L N 1.204 122.389 121.223 -0.064 0.000 2.013 28 L HA -0.098 4.238 4.340 -0.007 0.000 0.212 28 L C 3.134 179.870 176.870 -0.223 0.000 1.073 28 L CA 2.075 56.831 54.840 -0.139 0.000 0.753 28 L CB -1.320 40.680 42.059 -0.098 0.000 0.890 28 L HN 0.175 nan 8.230 nan 0.000 0.432 29 T N -0.757 113.737 114.554 -0.100 0.000 2.684 29 T HA -0.308 4.038 4.350 -0.007 0.000 0.267 29 T C 2.084 176.590 174.700 -0.323 0.000 1.032 29 T CA 1.991 64.029 62.100 -0.104 0.000 1.155 29 T CB -0.595 68.325 68.868 0.085 0.000 0.857 29 T HN 0.618 nan 8.240 nan 0.000 0.457 30 S N 1.406 116.779 115.700 -0.544 0.000 2.387 30 S HA -0.149 4.317 4.470 -0.007 0.000 0.230 30 S C 2.021 175.737 174.600 -1.474 0.000 1.035 30 S CA 1.274 58.574 58.200 -1.500 0.000 1.014 30 S CB -0.918 61.543 63.200 -1.232 0.000 0.836 30 S HN 0.577 nan 8.310 nan 0.000 0.466 31 I N 1.096 121.101 120.570 -0.942 0.000 2.399 31 I HA -0.140 4.025 4.170 -0.007 0.000 0.254 31 I C 2.301 177.940 176.117 -0.798 0.000 1.146 31 I CA 1.053 61.755 61.300 -0.996 0.000 1.412 31 I CB -0.336 37.187 38.000 -0.795 0.000 1.076 31 I HN 0.261 nan 8.210 nan 0.000 0.432 32 V N 0.177 119.709 119.914 -0.635 0.000 2.759 32 V HA -0.205 3.910 4.120 -0.007 0.000 0.256 32 V C 1.696 177.802 176.094 0.021 0.000 1.080 32 V CA 1.805 63.896 62.300 -0.348 0.000 1.101 32 V CB -0.420 31.258 31.823 -0.242 0.000 0.698 32 V HN 0.809 nan 8.190 nan 0.000 0.477 33 W N -2.386 118.847 121.300 -0.113 0.000 2.873 33 W HA 0.337 4.992 4.660 -0.009 0.000 0.282 33 W C 1.402 177.862 176.519 -0.099 0.000 1.118 33 W CA -0.172 57.139 57.345 -0.057 0.000 1.480 33 W CB -0.595 28.838 29.460 -0.045 0.000 0.954 33 W HN 0.038 nan 8.180 nan 0.000 0.591 34 L N 1.418 122.429 121.223 -0.353 0.000 2.044 34 L HA -0.152 4.183 4.340 -0.007 0.000 0.205 34 L C 3.048 179.856 176.870 -0.104 0.000 1.075 34 L CA 2.394 57.080 54.840 -0.257 0.000 0.747 34 L CB -0.940 40.685 42.059 -0.723 0.000 0.903 34 L HN 0.296 nan 8.230 nan 0.000 0.435 35 H N -0.245 118.673 119.070 -0.254 0.000 2.390 35 H HA -0.210 4.341 4.556 -0.008 0.000 0.298 35 H C 2.251 177.676 175.328 0.162 0.000 1.106 35 H CA 1.723 57.839 56.048 0.112 0.000 1.297 35 H CB -0.188 29.669 29.762 0.159 0.000 1.375 35 H HN 0.159 nan 8.280 nan 0.000 0.509 36 R N 0.082 120.256 120.500 -0.544 0.000 2.083 36 R HA -0.130 4.206 4.340 -0.007 0.000 0.237 36 R C 2.397 178.618 176.300 -0.132 0.000 1.137 36 R CA 1.736 57.566 56.100 -0.449 0.000 0.951 36 R CB -0.192 29.984 30.300 -0.206 0.000 0.851 36 R HN 0.252 nan 8.270 nan 0.000 0.434 37 K N 0.709 121.103 120.400 -0.010 0.000 2.025 37 K HA -0.007 4.308 4.320 -0.007 0.000 0.207 37 K C 0.680 177.313 176.600 0.056 0.000 1.049 37 K CA 1.207 57.517 56.287 0.038 0.000 0.933 37 K CB 0.116 32.662 32.500 0.076 0.000 0.714 37 K HN -0.012 nan 8.250 nan 0.000 0.438 38 M N 1.974 121.637 119.600 0.106 0.000 2.775 38 M HA 0.047 4.523 4.480 -0.007 0.000 0.313 38 M C 0.450 176.835 176.300 0.143 0.000 1.429 38 M CA 0.073 55.461 55.300 0.146 0.000 1.494 38 M CB 0.752 33.496 32.600 0.239 0.000 1.274 38 M HN 0.132 nan 8.290 nan 0.000 0.491 39 Q N 0.367 120.222 119.800 0.090 0.000 2.234 39 Q HA -0.192 4.144 4.340 -0.007 0.000 0.206 39 Q C 1.074 177.144 176.000 0.116 0.000 0.980 39 Q CA 1.120 56.973 55.803 0.084 0.000 0.869 39 Q CB 0.145 28.917 28.738 0.057 0.000 0.912 39 Q HN 0.605 nan 8.270 nan 0.000 0.436 40 D N -0.711 119.758 120.400 0.116 0.000 2.349 40 D HA 0.142 4.778 4.640 -0.007 0.000 0.215 40 D C -0.478 175.905 176.300 0.138 0.000 1.016 40 D CA 0.128 54.194 54.000 0.111 0.000 0.870 40 D CB 0.367 41.213 40.800 0.076 0.000 0.917 40 D HN 0.171 nan 8.370 nan 0.000 0.524 41 A N 0.068 122.996 122.820 0.179 0.000 2.337 41 A HA 0.581 4.896 4.320 -0.007 0.000 0.331 41 A C -1.225 176.501 177.584 0.235 0.000 1.137 41 A CA -0.540 51.594 52.037 0.161 0.000 0.807 41 A CB 1.187 20.287 19.000 0.167 0.000 1.250 41 A HN 0.054 nan 8.150 nan 0.000 0.468 42 F N 1.149 121.113 119.950 0.023 0.000 2.493 42 F HA 0.692 5.214 4.527 -0.007 0.000 0.329 42 F C -1.538 174.293 175.800 0.053 0.000 1.126 42 F CA -1.335 56.734 58.000 0.116 0.000 0.937 42 F CB 1.363 40.418 39.000 0.091 0.000 1.146 42 F HN 0.419 nan 8.300 nan 0.000 0.442 43 F N 7.466 127.493 119.950 0.128 0.000 2.334 43 F HA 0.390 4.913 4.527 -0.007 0.000 0.367 43 F C -0.472 175.486 175.800 0.263 0.000 1.115 43 F CA -0.821 57.331 58.000 0.252 0.000 1.116 43 F CB 1.062 40.108 39.000 0.077 0.000 1.230 43 F HN 0.248 nan 8.300 nan 0.000 0.484 44 L N 5.769 127.319 121.223 0.545 0.000 2.287 44 L HA 0.491 4.827 4.340 -0.007 0.000 0.280 44 L C -0.585 176.433 176.870 0.247 0.000 1.055 44 L CA -0.475 54.650 54.840 0.474 0.000 0.863 44 L CB 0.349 42.625 42.059 0.361 0.000 1.245 44 L HN 0.283 nan 8.230 nan 0.000 0.432 45 V N 5.626 125.654 119.914 0.190 0.000 2.572 45 V HA 0.132 4.248 4.120 -0.007 0.000 0.291 45 V C 0.215 176.349 176.094 0.068 0.000 1.039 45 V CA -0.305 62.042 62.300 0.079 0.000 1.055 45 V CB 1.310 33.155 31.823 0.037 0.000 0.969 45 V HN 0.463 nan 8.190 nan 0.000 0.482 46 V N 5.656 125.586 119.914 0.027 0.000 2.304 46 V HA 0.797 4.912 4.120 -0.007 0.000 0.269 46 V C 0.656 176.751 176.094 0.001 0.000 1.036 46 V CA 0.560 62.871 62.300 0.017 0.000 0.840 46 V CB 0.300 32.126 31.823 0.006 0.000 1.036 46 V HN 1.088 nan 8.190 nan 0.000 0.466 47 G N 3.296 112.101 108.800 0.009 0.000 2.772 47 G HA2 0.639 4.595 3.960 -0.007 0.000 0.284 47 G HA3 0.639 4.595 3.960 -0.007 0.000 0.284 47 G C -0.479 174.424 174.900 0.006 0.000 1.217 47 G CA 0.211 45.312 45.100 0.001 0.000 0.831 47 G HN 0.720 nan 8.290 nan 0.000 0.523 48 S N -1.155 114.548 115.700 0.005 0.000 2.758 48 S HA 0.424 4.890 4.470 -0.007 0.000 0.292 48 S C 1.295 175.904 174.600 0.015 0.000 1.131 48 S CA -0.056 58.147 58.200 0.005 0.000 0.997 48 S CB 1.991 65.190 63.200 -0.001 0.000 1.111 48 S HN 0.751 nan 8.310 nan 0.000 0.552 49 R N -0.261 120.244 120.500 0.009 0.000 2.193 49 R HA -0.072 4.264 4.340 -0.007 0.000 0.229 49 R C 1.699 178.018 176.300 0.031 0.000 1.110 49 R CA 1.803 57.911 56.100 0.013 0.000 0.988 49 R CB -1.072 29.218 30.300 -0.016 0.000 0.871 49 R HN 0.833 nan 8.270 nan 0.000 0.458 50 T N -0.121 114.447 114.554 0.022 0.000 2.708 50 T HA -0.194 4.152 4.350 -0.007 0.000 0.266 50 T C 1.985 176.722 174.700 0.062 0.000 1.037 50 T CA 1.502 63.629 62.100 0.045 0.000 1.146 50 T CB -0.432 68.447 68.868 0.018 0.000 0.865 50 T HN 0.391 nan 8.240 nan 0.000 0.435 51 C N 1.835 121.155 119.300 0.034 0.000 2.393 51 C HA -0.064 4.392 4.460 -0.007 0.000 0.276 51 C C 3.248 178.261 174.990 0.040 0.000 1.215 51 C CA 0.500 59.532 59.018 0.023 0.000 1.743 51 C CB -1.552 26.195 27.740 0.011 0.000 2.044 51 C HN 0.671 nan 8.230 nan 0.000 0.464 52 A N -0.744 122.114 122.820 0.064 0.000 1.892 52 A HA -0.284 4.032 4.320 -0.007 0.000 0.218 52 A C 2.099 179.751 177.584 0.114 0.000 1.188 52 A CA 2.092 54.182 52.037 0.088 0.000 0.631 52 A CB -1.221 17.831 19.000 0.087 0.000 0.822 52 A HN 0.842 nan 8.150 nan 0.000 0.447 53 H N -0.818 118.255 119.070 0.005 0.000 2.389 53 H HA -0.070 4.482 4.556 -0.008 0.000 0.299 53 H C 2.101 177.428 175.328 -0.003 0.000 1.081 53 H CA 1.377 57.425 56.048 -0.001 0.000 1.345 53 H CB -0.023 29.735 29.762 -0.007 0.000 1.393 53 H HN 0.470 nan 8.280 nan 0.000 0.520 54 L N 0.577 121.811 121.223 0.019 0.000 1.970 54 L HA -0.206 4.129 4.340 -0.007 0.000 0.212 54 L C 2.395 179.238 176.870 -0.045 0.000 1.071 54 L CA 1.313 56.133 54.840 -0.034 0.000 0.751 54 L CB -0.511 41.547 42.059 -0.001 0.000 0.889 54 L HN 0.214 nan 8.230 nan 0.000 0.432 55 L N -0.203 120.989 121.223 -0.053 0.000 2.021 55 L HA -0.326 4.010 4.340 -0.007 0.000 0.215 55 L C 2.757 179.590 176.870 -0.062 0.000 1.074 55 L CA 2.098 56.867 54.840 -0.118 0.000 0.760 55 L CB -0.598 41.379 42.059 -0.137 0.000 0.889 55 L HN 0.512 nan 8.230 nan 0.000 0.433 56 Q N -0.501 119.283 119.800 -0.026 0.000 1.985 56 Q HA -0.305 4.030 4.340 -0.007 0.000 0.207 56 Q C 2.270 178.209 176.000 -0.103 0.000 0.996 56 Q CA 2.366 58.137 55.803 -0.054 0.000 0.851 56 Q CB -0.287 28.422 28.738 -0.050 0.000 0.921 56 Q HN 0.503 nan 8.270 nan 0.000 0.418 57 A N 0.604 123.328 122.820 -0.160 0.000 1.903 57 A HA -0.252 4.064 4.320 -0.007 0.000 0.219 57 A C 2.284 179.834 177.584 -0.057 0.000 1.191 57 A CA 2.341 54.298 52.037 -0.133 0.000 0.638 57 A CB -1.333 17.563 19.000 -0.173 0.000 0.823 57 A HN 0.644 nan 8.150 nan 0.000 0.451 58 A N -1.176 121.623 122.820 -0.034 0.000 2.066 58 A HA 0.374 4.690 4.320 -0.007 0.000 0.218 58 A C 2.132 179.672 177.584 -0.074 0.000 1.157 58 A CA 1.566 53.574 52.037 -0.049 0.000 0.670 58 A CB -0.532 18.426 19.000 -0.071 0.000 0.804 58 A HN 1.132 nan 8.150 nan 0.000 0.453 59 A N -1.338 121.444 122.820 -0.064 0.000 2.308 59 A HA 0.465 4.780 4.320 -0.007 0.000 0.217 59 A C 1.825 179.379 177.584 -0.050 0.000 1.216 59 A CA 1.167 53.184 52.037 -0.034 0.000 0.864 59 A CB -1.003 18.043 19.000 0.076 0.000 0.902 59 A HN 1.565 nan 8.150 nan 0.000 0.499 60 G N 0.002 108.764 108.800 -0.063 0.000 2.698 60 G HA2 -0.427 3.529 3.960 -0.007 0.000 0.346 60 G HA3 -0.427 3.529 3.960 -0.007 0.000 0.346 60 G C 1.256 176.122 174.900 -0.056 0.000 1.287 60 G CA 1.742 46.812 45.100 -0.050 0.000 0.990 60 G HN 0.794 nan 8.290 nan 0.000 0.545 61 V N 1.104 121.033 119.914 0.025 0.000 2.626 61 V HA -0.136 3.979 4.120 -0.007 0.000 0.252 61 V C 2.789 178.920 176.094 0.061 0.000 1.067 61 V CA 2.721 65.104 62.300 0.138 0.000 1.081 61 V CB -0.576 31.344 31.823 0.161 0.000 0.686 61 V HN 0.578 nan 8.190 nan 0.000 0.468 62 M N -0.330 119.270 119.600 -0.001 0.000 2.267 62 M HA -0.203 4.272 4.480 -0.007 0.000 0.263 62 M C 2.048 178.302 176.300 -0.076 0.000 1.063 62 M CA 1.758 57.065 55.300 0.013 0.000 1.090 62 M CB -0.296 32.336 32.600 0.053 0.000 1.392 62 M HN 0.363 nan 8.290 nan 0.000 0.422 63 I N 0.235 120.670 120.570 -0.226 0.000 2.381 63 I HA -0.294 3.872 4.170 -0.007 0.000 0.255 63 I C 1.070 176.934 176.117 -0.421 0.000 1.140 63 I CA 1.755 62.817 61.300 -0.396 0.000 1.404 63 I CB -0.311 37.357 38.000 -0.553 0.000 1.075 63 I HN 0.241 nan 8.210 nan 0.000 0.433 64 F N 0.005 119.941 119.950 -0.023 0.000 2.797 64 F HA 0.322 4.850 4.527 0.002 0.000 0.302 64 F C 1.985 177.773 175.800 -0.021 0.000 1.130 64 F CA 0.434 58.422 58.000 -0.020 0.000 1.387 64 F CB -0.777 38.219 39.000 -0.006 0.000 1.107 64 F HN 0.051 nan 8.300 nan 0.000 0.577 65 A N -0.135 122.739 122.820 0.089 0.000 2.684 65 A HA 0.216 4.532 4.320 -0.007 0.000 0.288 65 A C 0.645 178.240 177.584 0.019 0.000 1.337 65 A CA -0.132 51.948 52.037 0.071 0.000 0.946 65 A CB -0.699 18.349 19.000 0.081 0.000 1.093 65 A HN 0.225 nan 8.150 nan 0.000 0.543 66 E N 0.219 120.409 120.200 -0.017 0.000 2.199 66 E HA -0.154 4.192 4.350 -0.007 0.000 0.208 66 E C -2.085 174.445 176.600 -0.117 0.000 1.310 66 E CA 0.769 57.137 56.400 -0.053 0.000 0.709 66 E CB -1.504 28.203 29.700 0.011 0.000 1.127 66 E HN 0.639 nan 8.360 nan 0.000 0.354 67 P HA -0.055 nan 4.420 nan 0.000 0.271 67 P C 0.147 177.105 177.300 -0.570 0.000 1.233 67 P CA 0.298 63.093 63.100 -0.509 0.000 0.789 67 P CB 0.325 31.422 31.700 -1.004 0.000 0.951 68 R N 2.012 122.233 120.500 -0.466 0.000 3.436 68 R HA 0.507 4.843 4.340 -0.007 0.000 0.247 68 R C -0.437 175.290 176.300 -0.956 0.000 1.434 68 R CA -0.507 55.373 56.100 -0.367 0.000 1.543 68 R CB -0.758 29.638 30.300 0.160 0.000 1.289 68 R HN 0.484 nan 8.270 nan 0.000 0.664 69 F N -1.774 117.487 119.950 -1.148 0.000 2.745 69 F HA 0.878 5.400 4.527 -0.008 0.000 0.316 69 F C -0.677 174.843 175.800 -0.465 0.000 1.155 69 F CA -0.943 56.396 58.000 -1.102 0.000 0.937 69 F CB 1.347 40.066 39.000 -0.467 0.000 1.361 69 F HN 0.297 nan 8.300 nan 0.000 0.472 70 G N -0.346 108.656 108.800 0.338 0.000 2.356 70 G HA2 0.500 4.456 3.960 -0.007 0.000 0.294 70 G HA3 0.500 4.456 3.960 -0.007 0.000 0.294 70 G C -2.015 173.092 174.900 0.345 0.000 1.423 70 G CA -0.245 45.088 45.100 0.388 0.000 0.806 70 G HN 1.210 nan 8.290 nan 0.000 0.527 71 T N -1.501 113.192 114.554 0.231 0.000 2.881 71 T HA 0.676 5.022 4.350 -0.007 0.000 0.291 71 T C 0.190 174.957 174.700 0.111 0.000 0.990 71 T CA 0.555 62.748 62.100 0.156 0.000 0.976 71 T CB 1.177 70.112 68.868 0.112 0.000 0.970 71 T HN 1.937 nan 8.240 nan 0.000 0.438 72 A N 4.805 127.680 122.820 0.092 0.000 2.666 72 A HA 0.515 4.830 4.320 -0.007 0.000 0.301 72 A C 0.831 178.437 177.584 0.037 0.000 1.470 72 A CA -0.511 51.559 52.037 0.054 0.000 1.159 72 A CB -1.118 17.907 19.000 0.041 0.000 1.116 72 A HN 1.557 nan 8.150 nan 0.000 0.548 73 V N 2.226 122.160 119.914 0.034 0.000 2.415 73 V HA 0.273 4.389 4.120 -0.007 0.000 0.267 73 V C 0.213 176.313 176.094 0.010 0.000 1.042 73 V CA -0.933 61.381 62.300 0.023 0.000 1.000 73 V CB -0.192 31.645 31.823 0.023 0.000 1.015 73 V HN 0.485 nan 8.190 nan 0.000 0.478 74 L N 5.188 126.414 121.223 0.004 0.000 2.700 74 L HA 0.132 4.468 4.340 -0.007 0.000 0.276 74 L C 0.816 177.683 176.870 -0.005 0.000 1.200 74 L CA 0.888 55.725 54.840 -0.005 0.000 0.951 74 L CB -1.065 40.988 42.059 -0.009 0.000 1.226 74 L HN 0.820 nan 8.230 nan 0.000 0.489 75 E N 2.180 122.377 120.200 -0.006 0.000 2.254 75 E HA 0.106 4.452 4.350 -0.007 0.000 0.261 75 E C 0.557 177.152 176.600 -0.009 0.000 1.051 75 E CA -0.591 55.806 56.400 -0.006 0.000 0.902 75 E CB 0.955 30.652 29.700 -0.005 0.000 1.168 75 E HN 0.532 nan 8.360 nan 0.000 0.423 76 E N 0.606 120.801 120.200 -0.008 0.000 2.171 76 E HA -0.264 4.082 4.350 -0.007 0.000 0.197 76 E C 1.166 177.761 176.600 -0.009 0.000 0.997 76 E CA 1.648 58.043 56.400 -0.009 0.000 0.810 76 E CB 0.142 29.837 29.700 -0.008 0.000 0.738 76 E HN 0.378 nan 8.360 nan 0.000 0.467 77 Q N -0.430 119.365 119.800 -0.008 0.000 2.322 77 Q HA 0.038 4.374 4.340 -0.007 0.000 0.203 77 Q C 0.392 176.386 176.000 -0.010 0.000 0.923 77 Q CA 0.408 56.206 55.803 -0.008 0.000 0.949 77 Q CB 0.559 29.293 28.738 -0.006 0.000 1.039 77 Q HN 0.163 nan 8.270 nan 0.000 0.496 78 D N 0.407 120.799 120.400 -0.013 0.000 2.389 78 D HA 0.082 4.718 4.640 -0.007 0.000 0.206 78 D C 1.593 177.880 176.300 -0.022 0.000 1.055 78 D CA 0.184 54.173 54.000 -0.019 0.000 0.856 78 D CB 0.427 41.215 40.800 -0.021 0.000 0.957 78 D HN 0.276 nan 8.370 nan 0.000 0.509 79 L N 0.771 121.984 121.223 -0.017 0.000 1.973 79 L HA 0.014 4.349 4.340 -0.007 0.000 0.208 79 L C 1.406 178.267 176.870 -0.015 0.000 1.073 79 L CA 0.813 55.643 54.840 -0.016 0.000 0.746 79 L CB -0.550 41.502 42.059 -0.012 0.000 0.891 79 L HN -0.096 nan 8.230 nan 0.000 0.433 80 A N -0.332 122.481 122.820 -0.012 0.000 2.295 80 A HA 0.544 4.860 4.320 -0.007 0.000 0.318 80 A C 0.585 178.164 177.584 -0.009 0.000 1.134 80 A CA 0.250 52.281 52.037 -0.009 0.000 0.827 80 A CB 0.634 19.630 19.000 -0.006 0.000 1.136 80 A HN 0.501 nan 8.150 nan 0.000 0.493 81 G N 0.095 108.891 108.800 -0.007 0.000 2.684 81 G HA2 -0.038 3.918 3.960 -0.007 0.000 0.229 81 G HA3 -0.038 3.918 3.960 -0.007 0.000 0.229 81 G C -0.267 174.626 174.900 -0.012 0.000 0.927 81 G CA 0.141 45.238 45.100 -0.005 0.000 1.147 81 G HN 0.987 nan 8.290 nan 0.000 0.402 82 L N 0.900 122.115 121.223 -0.013 0.000 2.741 82 L HA 0.509 4.845 4.340 -0.007 0.000 0.237 82 L C 2.266 179.122 176.870 -0.024 0.000 1.178 82 L CA 1.168 55.989 54.840 -0.032 0.000 0.973 82 L CB 0.446 42.484 42.059 -0.034 0.000 1.255 82 L HN 0.731 nan 8.230 nan 0.000 0.498 83 A N -0.978 121.847 122.820 0.008 0.000 2.115 83 A HA 0.028 4.344 4.320 -0.007 0.000 0.211 83 A C 1.623 179.231 177.584 0.040 0.000 1.169 83 A CA 0.506 52.569 52.037 0.044 0.000 0.787 83 A CB -0.083 18.943 19.000 0.042 0.000 0.858 83 A HN 0.354 nan 8.150 nan 0.000 0.474 84 D N 0.968 121.375 120.400 0.012 0.000 2.144 84 D HA 0.024 4.660 4.640 -0.007 0.000 0.200 84 D C 2.090 178.390 176.300 -0.001 0.000 0.978 84 D CA 1.204 55.210 54.000 0.010 0.000 0.833 84 D CB -0.244 40.556 40.800 -0.001 0.000 0.961 84 D HN 0.392 nan 8.370 nan 0.000 0.470 85 A N 1.060 123.854 122.820 -0.044 0.000 1.915 85 A HA -0.316 3.999 4.320 -0.007 0.000 0.220 85 A C 1.944 179.470 177.584 -0.098 0.000 1.198 85 A CA 1.824 53.798 52.037 -0.106 0.000 0.647 85 A CB -0.869 18.012 19.000 -0.198 0.000 0.825 85 A HN 0.330 nan 8.150 nan 0.000 0.456 86 H N -0.822 118.251 119.070 0.006 0.000 2.333 86 H HA -0.015 4.536 4.556 -0.007 0.000 0.302 86 H C 2.138 177.470 175.328 0.007 0.000 1.075 86 H CA 1.596 57.648 56.048 0.007 0.000 1.348 86 H CB -0.272 29.494 29.762 0.007 0.000 1.393 86 H HN 0.509 nan 8.280 nan 0.000 0.509 87 K N 0.601 121.078 120.400 0.128 0.000 2.032 87 K HA -0.147 4.169 4.320 -0.007 0.000 0.209 87 K C 2.093 178.720 176.600 0.046 0.000 1.048 87 K CA 1.028 57.356 56.287 0.068 0.000 0.927 87 K CB 0.188 32.715 32.500 0.045 0.000 0.712 87 K HN 0.223 nan 8.250 nan 0.000 0.441 88 E N 0.891 121.110 120.200 0.032 0.000 2.023 88 E HA -0.222 4.124 4.350 -0.007 0.000 0.196 88 E C 2.097 178.709 176.600 0.020 0.000 1.003 88 E CA 1.051 57.462 56.400 0.017 0.000 0.809 88 E CB -0.372 29.329 29.700 0.003 0.000 0.755 88 E HN 0.169 nan 8.360 nan 0.000 0.449 89 L N 1.768 123.007 121.223 0.026 0.000 1.989 89 L HA -0.212 4.123 4.340 -0.007 0.000 0.211 89 L C 1.883 178.777 176.870 0.040 0.000 1.071 89 L CA 1.989 56.847 54.840 0.030 0.000 0.749 89 L CB -0.517 41.566 42.059 0.041 0.000 0.890 89 L HN -0.011 nan 8.230 nan 0.000 0.431 90 D N -0.199 120.241 120.400 0.067 0.000 2.157 90 D HA -0.247 4.389 4.640 -0.007 0.000 0.191 90 D C 2.260 178.597 176.300 0.062 0.000 1.004 90 D CA 1.846 55.892 54.000 0.075 0.000 0.854 90 D CB -0.096 40.748 40.800 0.074 0.000 0.936 90 D HN 0.464 nan 8.370 nan 0.000 0.446 91 R N -0.099 120.424 120.500 0.039 0.000 2.246 91 R HA 0.029 4.364 4.340 -0.007 0.000 0.199 91 R C 1.937 178.242 176.300 0.009 0.000 0.984 91 R CA 0.264 56.380 56.100 0.026 0.000 1.015 91 R CB 0.105 30.415 30.300 0.017 0.000 0.930 91 R HN 0.073 nan 8.270 nan 0.000 0.475 92 E N 0.836 121.038 120.200 0.002 0.000 2.152 92 E HA -0.074 4.272 4.350 -0.007 0.000 0.192 92 E C 1.731 178.304 176.600 -0.045 0.000 0.983 92 E CA 0.700 57.090 56.400 -0.016 0.000 0.818 92 E CB 0.179 29.874 29.700 -0.009 0.000 0.758 92 E HN -0.015 nan 8.360 nan 0.000 0.467 93 V N 0.625 120.512 119.914 -0.046 0.000 2.270 93 V HA -0.232 3.883 4.120 -0.007 0.000 0.245 93 V C 2.323 178.341 176.094 -0.127 0.000 1.043 93 V CA 1.781 64.014 62.300 -0.111 0.000 1.014 93 V CB -0.893 30.858 31.823 -0.119 0.000 0.645 93 V HN 0.433 nan 8.190 nan 0.000 0.447 94 A N -0.456 122.358 122.820 -0.011 0.000 1.908 94 A HA -0.301 4.015 4.320 -0.007 0.000 0.218 94 A C 2.338 179.914 177.584 -0.012 0.000 1.181 94 A CA 2.328 54.414 52.037 0.082 0.000 0.627 94 A CB -0.566 18.533 19.000 0.165 0.000 0.818 94 A HN 0.499 nan 8.150 nan 0.000 0.445 95 K N -0.729 119.654 120.400 -0.028 0.000 2.103 95 K HA -0.171 4.145 4.320 -0.007 0.000 0.207 95 K C 1.941 178.494 176.600 -0.078 0.000 1.048 95 K CA 1.678 57.939 56.287 -0.043 0.000 0.930 95 K CB -0.296 32.184 32.500 -0.033 0.000 0.716 95 K HN 0.484 nan 8.250 nan 0.000 0.444 96 L N 0.395 121.542 121.223 -0.126 0.000 2.109 96 L HA -0.055 4.281 4.340 -0.007 0.000 0.207 96 L C 1.626 178.369 176.870 -0.211 0.000 1.086 96 L CA 1.443 56.159 54.840 -0.206 0.000 0.760 96 L CB -0.123 41.740 42.059 -0.328 0.000 0.910 96 L HN 0.108 nan 8.230 nan 0.000 0.437 97 L N -0.700 120.411 121.223 -0.186 0.000 2.492 97 L HA 0.008 4.343 4.340 -0.007 0.000 0.223 97 L C 2.251 179.052 176.870 -0.116 0.000 1.132 97 L CA 0.596 55.333 54.840 -0.172 0.000 0.850 97 L CB -0.223 41.710 42.059 -0.210 0.000 0.966 97 L HN 0.427 nan 8.230 nan 0.000 0.454 98 E N 0.219 120.369 120.200 -0.084 0.000 2.102 98 E HA -0.077 4.268 4.350 -0.007 0.000 0.190 98 E C 2.135 178.703 176.600 -0.053 0.000 0.971 98 E CA 0.369 56.733 56.400 -0.061 0.000 0.821 98 E CB 0.310 29.986 29.700 -0.041 0.000 0.777 98 E HN 0.264 nan 8.360 nan 0.000 0.460 99 R N -0.214 120.249 120.500 -0.061 0.000 2.236 99 R HA 0.100 4.435 4.340 -0.007 0.000 0.208 99 R C 0.707 176.988 176.300 -0.033 0.000 1.036 99 R CA 0.505 56.579 56.100 -0.044 0.000 1.001 99 R CB 0.223 30.494 30.300 -0.049 0.000 0.896 99 R HN -0.163 nan 8.270 nan 0.000 0.464 100 R N 0.557 121.029 120.500 -0.048 0.000 2.721 100 R HA 0.158 4.494 4.340 -0.007 0.000 0.272 100 R C -2.200 174.100 176.300 -0.001 0.000 1.721 100 R CA -1.352 54.745 56.100 -0.005 0.000 1.325 100 R CB 1.133 31.449 30.300 0.026 0.000 1.271 100 R HN -0.080 nan 8.270 nan 0.000 0.556 101 P HA -0.066 nan 4.420 nan 0.000 0.226 101 P C -0.076 177.313 177.300 0.149 0.000 1.153 101 P CA 0.949 64.058 63.100 0.014 0.000 0.777 101 P CB 0.472 32.183 31.700 0.017 0.000 0.794 102 D N -0.453 120.026 120.400 0.132 0.000 2.224 102 D HA -0.041 4.595 4.640 -0.007 0.000 0.205 102 D C 0.648 177.042 176.300 0.157 0.000 0.965 102 D CA 0.402 54.488 54.000 0.144 0.000 0.852 102 D CB -0.425 40.438 40.800 0.104 0.000 0.947 102 D HN 0.053 nan 8.370 nan 0.000 0.494 103 I N 1.339 122.005 120.570 0.160 0.000 2.821 103 I HA -0.106 4.060 4.170 -0.007 0.000 0.294 103 I C 1.452 177.676 176.117 0.178 0.000 1.210 103 I CA 0.644 62.040 61.300 0.159 0.000 1.430 103 I CB 0.325 38.403 38.000 0.130 0.000 1.356 103 I HN 0.045 nan 8.210 nan 0.000 0.563 104 R N 4.157 124.726 120.500 0.115 0.000 2.383 104 R HA 0.175 4.511 4.340 -0.007 0.000 0.205 104 R C -0.251 176.078 176.300 0.050 0.000 0.875 104 R CA 0.016 56.163 56.100 0.079 0.000 1.039 104 R CB 0.352 30.652 30.300 0.000 0.000 1.267 104 R HN 0.614 nan 8.270 nan 0.000 0.635 105 Q N 1.645 121.457 119.800 0.019 0.000 2.325 105 Q HA 0.407 4.743 4.340 -0.007 0.000 0.262 105 Q C -1.162 174.721 176.000 -0.195 0.000 0.968 105 Q CA -0.536 55.224 55.803 -0.072 0.000 0.877 105 Q CB 2.310 30.918 28.738 -0.217 0.000 1.253 105 Q HN -0.060 nan 8.270 nan 0.000 0.448 106 L N 2.903 124.005 121.223 -0.201 0.000 2.296 106 L HA 0.537 4.873 4.340 -0.007 0.000 0.286 106 L C -1.684 175.056 176.870 -0.216 0.000 1.023 106 L CA -0.241 54.516 54.840 -0.138 0.000 0.812 106 L CB 0.533 42.534 42.059 -0.097 0.000 1.223 106 L HN 0.476 nan 8.230 nan 0.000 0.421 107 F N 5.682 125.664 119.950 0.054 0.000 2.388 107 F HA 0.426 4.948 4.527 -0.007 0.000 0.358 107 F C -0.176 175.705 175.800 0.136 0.000 1.122 107 F CA -0.586 57.495 58.000 0.135 0.000 1.056 107 F CB 1.175 40.247 39.000 0.121 0.000 1.155 107 F HN 0.246 nan 8.300 nan 0.000 0.461 108 L N 5.320 126.696 121.223 0.255 0.000 2.385 108 L HA 0.293 4.629 4.340 -0.007 0.000 0.285 108 L C -0.443 176.430 176.870 0.006 0.000 1.125 108 L CA -0.581 54.337 54.840 0.131 0.000 0.890 108 L CB -0.240 41.874 42.059 0.093 0.000 1.251 108 L HN 0.292 nan 8.230 nan 0.000 0.445 109 V N 2.384 122.261 119.914 -0.062 0.000 2.461 109 V HA 0.395 4.511 4.120 -0.007 0.000 0.275 109 V C 1.014 176.995 176.094 -0.189 0.000 1.047 109 V CA -0.419 61.676 62.300 -0.342 0.000 0.955 109 V CB 1.137 32.792 31.823 -0.279 0.000 0.988 109 V HN 0.794 nan 8.190 nan 0.000 0.471 110 G N 3.422 112.094 108.800 -0.213 0.000 2.400 110 G HA2 0.591 4.547 3.960 -0.007 0.000 0.301 110 G HA3 0.591 4.547 3.960 -0.007 0.000 0.301 110 G C -0.018 174.831 174.900 -0.085 0.000 1.154 110 G CA -0.073 44.966 45.100 -0.102 0.000 0.852 110 G HN 0.895 nan 8.290 nan 0.000 0.511 111 S N -0.306 115.364 115.700 -0.049 0.000 2.759 111 S HA 0.310 4.775 4.470 -0.007 0.000 0.310 111 S C 1.325 175.911 174.600 -0.024 0.000 1.123 111 S CA -0.403 57.775 58.200 -0.036 0.000 0.959 111 S CB 1.114 64.299 63.200 -0.026 0.000 1.172 111 S HN 0.581 nan 8.310 nan 0.000 0.539 112 C N 1.211 120.500 119.300 -0.018 0.000 2.413 112 C HA 0.046 4.501 4.460 -0.007 0.000 0.278 112 C C -0.368 174.614 174.990 -0.012 0.000 1.224 112 C CA 1.377 60.388 59.018 -0.012 0.000 1.732 112 C CB -2.392 25.342 27.740 -0.010 0.000 2.050 112 C HN 0.740 nan 8.230 nan 0.000 0.463 113 P HA -0.172 nan 4.420 nan 0.000 0.215 113 P C 1.892 179.183 177.300 -0.016 0.000 1.163 113 P CA 2.743 65.835 63.100 -0.013 0.000 0.894 113 P CB -0.302 31.391 31.700 -0.012 0.000 0.791 114 S N -0.836 114.853 115.700 -0.019 0.000 2.419 114 S HA -0.235 4.230 4.470 -0.007 0.000 0.235 114 S C 1.811 176.399 174.600 -0.021 0.000 1.019 114 S CA 1.606 59.791 58.200 -0.024 0.000 0.982 114 S CB -0.835 62.350 63.200 -0.025 0.000 0.789 114 S HN 0.204 nan 8.310 nan 0.000 0.490 115 E N -0.125 120.066 120.200 -0.015 0.000 2.140 115 E HA 0.051 4.397 4.350 -0.007 0.000 0.191 115 E C 2.138 178.734 176.600 -0.007 0.000 0.973 115 E CA 0.779 57.174 56.400 -0.008 0.000 0.829 115 E CB -0.061 29.636 29.700 -0.005 0.000 0.781 115 E HN 0.383 nan 8.360 nan 0.000 0.466 116 V N 1.651 121.560 119.914 -0.008 0.000 2.332 116 V HA -0.250 3.866 4.120 -0.007 0.000 0.248 116 V C 2.034 178.123 176.094 -0.008 0.000 1.055 116 V CA 1.503 63.799 62.300 -0.006 0.000 1.038 116 V CB -0.397 31.421 31.823 -0.007 0.000 0.651 116 V HN 0.279 nan 8.190 nan 0.000 0.450 117 L N 1.154 122.369 121.223 -0.013 0.000 2.675 117 L HA 0.031 4.366 4.340 -0.007 0.000 0.238 117 L C 1.214 178.074 176.870 -0.017 0.000 1.155 117 L CA 0.215 55.044 54.840 -0.018 0.000 0.881 117 L CB -0.879 41.164 42.059 -0.027 0.000 1.008 117 L HN 0.438 nan 8.230 nan 0.000 0.443 118 K N -0.052 120.343 120.400 -0.010 0.000 3.139 118 K HA -0.260 4.056 4.320 -0.007 0.000 0.261 118 K C 0.064 176.659 176.600 -0.008 0.000 0.895 118 K CA 0.674 56.959 56.287 -0.003 0.000 0.664 118 K CB -2.167 30.336 32.500 0.005 0.000 1.388 118 K HN 0.439 nan 8.250 nan 0.000 0.472 119 L N 2.125 123.332 121.223 -0.026 0.000 2.485 119 L HA 0.057 4.393 4.340 -0.007 0.000 0.279 119 L C 0.157 177.014 176.870 -0.022 0.000 1.124 119 L CA -0.008 54.799 54.840 -0.056 0.000 0.888 119 L CB 0.105 42.115 42.059 -0.080 0.000 1.217 119 L HN 0.209 nan 8.230 nan 0.000 0.464 120 D N 4.556 124.967 120.400 0.018 0.000 2.383 120 D HA 0.017 4.653 4.640 -0.007 0.000 0.245 120 D C 1.108 177.480 176.300 0.120 0.000 1.263 120 D CA -0.487 53.558 54.000 0.075 0.000 0.936 120 D CB 0.702 41.565 40.800 0.105 0.000 1.053 120 D HN 0.437 nan 8.370 nan 0.000 0.507 121 L N 3.002 124.273 121.223 0.081 0.000 2.456 121 L HA -0.044 4.291 4.340 -0.007 0.000 0.224 121 L C 1.376 178.311 176.870 0.109 0.000 1.148 121 L CA 1.067 55.965 54.840 0.096 0.000 0.825 121 L CB -0.768 41.325 42.059 0.057 0.000 0.937 121 L HN 0.507 nan 8.230 nan 0.000 0.450 122 D N -0.783 119.675 120.400 0.097 0.000 2.162 122 D HA -0.109 4.526 4.640 -0.007 0.000 0.203 122 D C 2.312 178.645 176.300 0.055 0.000 0.967 122 D CA 0.535 54.583 54.000 0.079 0.000 0.840 122 D CB 0.134 40.976 40.800 0.071 0.000 0.972 122 D HN 0.161 nan 8.370 nan 0.000 0.482 123 R N 0.763 121.295 120.500 0.052 0.000 2.073 123 R HA -0.020 4.316 4.340 -0.007 0.000 0.229 123 R C 2.027 178.303 176.300 -0.040 0.000 1.120 123 R CA 1.132 57.225 56.100 -0.012 0.000 0.967 123 R CB -0.152 30.117 30.300 -0.052 0.000 0.862 123 R HN 0.068 nan 8.270 nan 0.000 0.436 124 A N 1.082 123.924 122.820 0.035 0.000 1.892 124 A HA -0.199 4.117 4.320 -0.007 0.000 0.218 124 A C 2.386 179.992 177.584 0.038 0.000 1.188 124 A CA 2.095 54.174 52.037 0.069 0.000 0.631 124 A CB -0.859 18.302 19.000 0.268 0.000 0.822 124 A HN 0.520 nan 8.150 nan 0.000 0.447 125 A N -0.847 122.001 122.820 0.046 0.000 1.908 125 A HA -0.221 4.095 4.320 -0.007 0.000 0.218 125 A C 2.087 179.655 177.584 -0.026 0.000 1.181 125 A CA 1.904 53.952 52.037 0.019 0.000 0.627 125 A CB -0.524 18.506 19.000 0.050 0.000 0.818 125 A HN 0.674 nan 8.150 nan 0.000 0.445 126 E N -0.736 119.450 120.200 -0.023 0.000 2.072 126 E HA -0.178 4.167 4.350 -0.007 0.000 0.190 126 E C 2.375 178.950 176.600 -0.042 0.000 0.982 126 E CA 0.798 57.173 56.400 -0.042 0.000 0.803 126 E CB -0.162 29.519 29.700 -0.032 0.000 0.755 126 E HN 0.573 nan 8.360 nan 0.000 0.453 127 R N 0.457 120.930 120.500 -0.044 0.000 2.070 127 R HA -0.151 4.185 4.340 -0.007 0.000 0.233 127 R C 2.268 178.566 176.300 -0.003 0.000 1.137 127 R CA 1.035 57.110 56.100 -0.042 0.000 0.945 127 R CB -0.258 29.997 30.300 -0.076 0.000 0.845 127 R HN 0.197 nan 8.270 nan 0.000 0.430 128 L N 0.987 122.226 121.223 0.027 0.000 2.127 128 L HA -0.121 4.214 4.340 -0.007 0.000 0.211 128 L C 2.487 179.438 176.870 0.134 0.000 1.089 128 L CA 1.468 56.379 54.840 0.119 0.000 0.757 128 L CB -1.340 40.745 42.059 0.043 0.000 0.899 128 L HN 0.245 nan 8.230 nan 0.000 0.434 129 S N -0.402 115.303 115.700 0.009 0.000 2.356 129 S HA -0.136 4.330 4.470 -0.007 0.000 0.223 129 S C 1.990 176.587 174.600 -0.005 0.000 1.032 129 S CA 1.283 59.462 58.200 -0.035 0.000 1.005 129 S CB -0.309 62.825 63.200 -0.111 0.000 0.867 129 S HN 0.580 nan 8.310 nan 0.000 0.449 130 G N 1.624 110.416 108.800 -0.015 0.000 2.480 130 G HA2 -0.157 3.799 3.960 -0.007 0.000 0.216 130 G HA3 -0.157 3.799 3.960 -0.007 0.000 0.216 130 G C 1.208 176.086 174.900 -0.036 0.000 1.200 130 G CA 0.945 46.029 45.100 -0.026 0.000 0.782 130 G HN 0.424 nan 8.290 nan 0.000 0.554 131 L N 0.314 121.508 121.223 -0.049 0.000 2.189 131 L HA -0.041 4.295 4.340 -0.007 0.000 0.214 131 L C 1.603 178.278 176.870 -0.326 0.000 1.097 131 L CA 1.397 56.124 54.840 -0.187 0.000 0.764 131 L CB -0.820 41.101 42.059 -0.230 0.000 0.900 131 L HN 0.378 nan 8.230 nan 0.000 0.436 132 H N -1.984 117.057 119.070 -0.048 0.000 2.475 132 H HA 0.586 5.138 4.556 -0.007 0.000 0.276 132 H C 0.476 175.791 175.328 -0.023 0.000 1.126 132 H CA 0.029 56.048 56.048 -0.048 0.000 1.023 132 H CB 0.112 29.837 29.762 -0.060 0.000 1.669 132 H HN 0.180 nan 8.280 nan 0.000 0.573 133 A N 1.532 124.378 122.820 0.045 0.000 2.271 133 A HA 0.439 4.755 4.320 -0.007 0.000 0.288 133 A C -1.347 176.263 177.584 0.043 0.000 1.094 133 A CA -1.238 50.820 52.037 0.036 0.000 0.828 133 A CB 0.293 19.294 19.000 0.001 0.000 1.091 133 A HN 0.220 nan 8.150 nan 0.000 0.493 134 P HA 0.141 nan 4.420 nan 0.000 0.257 134 P C 0.408 177.749 177.300 0.068 0.000 1.737 134 P CA 0.089 63.212 63.100 0.038 0.000 1.130 134 P CB 0.018 31.725 31.700 0.012 0.000 1.572 135 H N 0.731 119.803 119.070 0.003 0.000 2.343 135 H HA 0.050 4.601 4.556 -0.007 0.000 0.303 135 H C -0.023 175.307 175.328 0.003 0.000 1.068 135 H CA 1.127 57.180 56.048 0.008 0.000 1.359 135 H CB 0.109 29.880 29.762 0.016 0.000 1.402 135 H HN 0.081 nan 8.280 nan 0.000 0.515 136 V N 2.034 122.144 119.914 0.327 0.000 2.487 136 V HA 0.470 4.586 4.120 -0.007 0.000 0.298 136 V C -0.788 175.321 176.094 0.025 0.000 1.028 136 V CA -0.961 61.449 62.300 0.184 0.000 0.860 136 V CB 1.626 33.546 31.823 0.161 0.000 0.991 136 V HN 0.401 nan 8.190 nan 0.000 0.427 137 R N 5.466 125.936 120.500 -0.051 0.000 2.255 137 R HA 0.675 5.011 4.340 -0.007 0.000 0.326 137 R C -1.331 174.758 176.300 -0.351 0.000 0.986 137 R CA -0.129 55.843 56.100 -0.214 0.000 0.847 137 R CB 1.414 31.572 30.300 -0.237 0.000 1.111 137 R HN 0.824 nan 8.270 nan 0.000 0.452 138 V N 6.639 126.329 119.914 -0.373 0.000 2.370 138 V HA 0.541 4.657 4.120 -0.007 0.000 0.283 138 V C -1.262 174.620 176.094 -0.353 0.000 1.023 138 V CA -0.392 61.730 62.300 -0.297 0.000 0.857 138 V CB 0.558 32.290 31.823 -0.152 0.000 0.985 138 V HN 0.802 nan 8.190 nan 0.000 0.443 139 Y N 3.962 124.148 120.300 -0.189 0.000 2.612 139 Y HA 0.821 5.367 4.550 -0.007 0.000 0.334 139 Y C 0.752 176.728 175.900 0.127 0.000 1.227 139 Y CA -0.247 57.841 58.100 -0.020 0.000 1.356 139 Y CB 1.605 40.067 38.460 0.003 0.000 1.534 139 Y HN 0.746 nan 8.280 nan 0.000 0.576 140 S N -0.088 115.884 115.700 0.454 0.000 2.560 140 S HA 0.565 5.031 4.470 -0.007 0.000 0.283 140 S C -1.877 172.986 174.600 0.438 0.000 1.141 140 S CA -0.648 57.779 58.200 0.379 0.000 0.902 140 S CB 0.409 63.725 63.200 0.193 0.000 1.104 140 S HN 0.708 nan 8.310 nan 0.000 0.454 141 Y N -0.244 120.170 120.300 0.191 0.000 2.705 141 Y HA 0.796 5.341 4.550 -0.008 0.000 0.332 141 Y C -0.407 175.545 175.900 0.087 0.000 1.221 141 Y CA -0.953 57.221 58.100 0.125 0.000 1.059 141 Y CB 1.045 39.571 38.460 0.109 0.000 1.298 141 Y HN 0.574 nan 8.280 nan 0.000 0.459 142 T N -0.197 114.401 114.554 0.073 0.000 2.875 142 T HA 0.571 4.917 4.350 -0.007 0.000 0.284 142 T C 0.409 175.104 174.700 -0.009 0.000 0.995 142 T CA 0.073 62.153 62.100 -0.034 0.000 1.060 142 T CB 0.719 69.602 68.868 0.025 0.000 0.967 142 T HN 1.156 nan 8.240 nan 0.000 0.476 143 G N 2.129 110.876 108.800 -0.089 0.000 3.829 143 G HA2 0.233 4.188 3.960 -0.007 0.000 0.279 143 G HA3 0.233 4.188 3.960 -0.007 0.000 0.279 143 G C 0.306 175.188 174.900 -0.030 0.000 1.008 143 G CA -0.032 45.045 45.100 -0.039 0.000 0.840 143 G HN 0.951 nan 8.290 nan 0.000 0.474 144 S N 0.294 115.977 115.700 -0.029 0.000 2.546 144 S HA 0.333 4.799 4.470 -0.007 0.000 0.290 144 S C 1.824 176.424 174.600 -0.001 0.000 1.290 144 S CA 0.338 58.528 58.200 -0.017 0.000 1.069 144 S CB 1.521 64.712 63.200 -0.015 0.000 0.846 144 S HN 0.455 nan 8.310 nan 0.000 0.495 145 G N 2.693 111.494 108.800 0.001 0.000 2.550 145 G HA2 -0.242 3.714 3.960 -0.007 0.000 0.222 145 G HA3 -0.242 3.714 3.960 -0.007 0.000 0.222 145 G C 1.109 176.016 174.900 0.012 0.000 1.113 145 G CA 1.244 46.350 45.100 0.010 0.000 0.748 145 G HN 0.763 nan 8.290 nan 0.000 0.585 146 L N 0.036 121.262 121.223 0.006 0.000 2.131 146 L HA -0.003 4.333 4.340 -0.007 0.000 0.210 146 L C 1.960 178.835 176.870 0.008 0.000 1.092 146 L CA 1.315 56.159 54.840 0.007 0.000 0.759 146 L CB -0.191 41.870 42.059 0.004 0.000 0.903 146 L HN 0.059 nan 8.230 nan 0.000 0.435 147 D N -1.934 118.469 120.400 0.006 0.000 2.388 147 D HA 0.070 4.705 4.640 -0.007 0.000 0.208 147 D C 0.304 176.603 176.300 -0.001 0.000 1.035 147 D CA 0.575 54.575 54.000 0.001 0.000 0.875 147 D CB 0.617 41.422 40.800 0.008 0.000 0.984 147 D HN 0.108 nan 8.370 nan 0.000 0.508 148 T N -0.239 114.323 114.554 0.015 0.000 2.971 148 T HA 0.468 4.814 4.350 -0.007 0.000 0.304 148 T C -0.683 174.051 174.700 0.056 0.000 1.038 148 T CA -0.573 61.543 62.100 0.026 0.000 1.007 148 T CB 2.371 71.255 68.868 0.027 0.000 1.055 148 T HN -0.314 nan 8.240 nan 0.000 0.451 149 T N 4.086 118.690 114.554 0.082 0.000 2.786 149 T HA 0.498 4.844 4.350 -0.007 0.000 0.283 149 T C 0.262 175.090 174.700 0.214 0.000 0.992 149 T CA -0.322 61.869 62.100 0.152 0.000 0.954 149 T CB 0.595 69.561 68.868 0.164 0.000 0.934 149 T HN 0.597 nan 8.240 nan 0.000 0.440 150 F N 3.126 123.109 119.950 0.056 0.000 2.625 150 F HA -0.414 4.109 4.527 -0.007 0.000 0.222 150 F C 2.310 178.069 175.800 -0.069 0.000 1.455 150 F CA 2.942 60.965 58.000 0.037 0.000 1.954 150 F CB -1.721 37.335 39.000 0.093 0.000 0.472 150 F HN 0.604 nan 8.300 nan 0.000 0.266 151 T N -0.787 113.504 114.554 -0.438 0.000 3.072 151 T HA -0.040 4.306 4.350 -0.007 0.000 0.266 151 T C 1.603 175.970 174.700 -0.556 0.000 1.127 151 T CA 1.406 63.025 62.100 -0.803 0.000 1.107 151 T CB -0.355 67.504 68.868 -1.683 0.000 0.910 151 T HN 0.666 nan 8.240 nan 0.000 0.513 152 Q N 0.710 120.388 119.800 -0.202 0.000 2.308 152 Q HA -0.013 4.323 4.340 -0.007 0.000 0.209 152 Q C 2.475 178.455 176.000 -0.034 0.000 0.985 152 Q CA 1.298 57.085 55.803 -0.027 0.000 0.881 152 Q CB -0.593 28.155 28.738 0.017 0.000 0.917 152 Q HN 0.775 nan 8.270 nan 0.000 0.443 153 G N 0.528 109.262 108.800 -0.110 0.000 2.422 153 G HA2 -0.293 3.662 3.960 -0.007 0.000 0.218 153 G HA3 -0.293 3.662 3.960 -0.007 0.000 0.218 153 G C 1.140 175.943 174.900 -0.163 0.000 1.140 153 G CA 0.760 45.804 45.100 -0.093 0.000 0.775 153 G HN 0.408 nan 8.290 nan 0.000 0.545 154 E N 0.274 120.343 120.200 -0.219 0.000 2.077 154 E HA -0.156 4.189 4.350 -0.007 0.000 0.193 154 E C 2.006 178.585 176.600 -0.035 0.000 0.989 154 E CA 1.214 57.545 56.400 -0.115 0.000 0.800 154 E CB -0.126 29.697 29.700 0.206 0.000 0.746 154 E HN 0.317 nan 8.360 nan 0.000 0.452 155 D N -0.218 120.235 120.400 0.089 0.000 2.088 155 D HA -0.187 4.449 4.640 -0.007 0.000 0.191 155 D C 2.091 178.380 176.300 -0.018 0.000 0.992 155 D CA 2.788 56.841 54.000 0.088 0.000 0.831 155 D CB -0.591 40.306 40.800 0.161 0.000 0.973 155 D HN 0.335 nan 8.370 nan 0.000 0.447 156 T N -1.522 113.030 114.554 -0.002 0.000 2.737 156 T HA -0.257 4.089 4.350 -0.007 0.000 0.269 156 T C 2.486 177.099 174.700 -0.146 0.000 1.040 156 T CA 1.642 63.764 62.100 0.037 0.000 1.142 156 T CB -1.360 67.617 68.868 0.182 0.000 0.861 156 T HN 0.363 nan 8.240 nan 0.000 0.456 157 C N 1.221 120.166 119.300 -0.592 0.000 2.455 157 C HA 0.101 4.557 4.460 -0.007 0.000 0.281 157 C C 2.731 177.396 174.990 -0.542 0.000 1.237 157 C CA 0.709 58.959 59.018 -1.280 0.000 1.726 157 C CB -1.579 25.332 27.740 -1.381 0.000 2.068 157 C HN 0.667 nan 8.230 nan 0.000 0.466 158 L N 1.531 122.560 121.223 -0.323 0.000 1.990 158 L HA -0.175 4.161 4.340 -0.007 0.000 0.213 158 L C 3.078 179.887 176.870 -0.101 0.000 1.072 158 L CA 2.083 56.823 54.840 -0.166 0.000 0.755 158 L CB -1.169 40.837 42.059 -0.089 0.000 0.889 158 L HN 0.528 nan 8.230 nan 0.000 0.432 159 A N 0.056 122.832 122.820 -0.073 0.000 1.948 159 A HA -0.219 4.096 4.320 -0.007 0.000 0.220 159 A C 2.475 180.071 177.584 0.019 0.000 1.177 159 A CA 1.959 53.983 52.037 -0.021 0.000 0.636 159 A CB -0.706 18.299 19.000 0.008 0.000 0.815 159 A HN 0.464 nan 8.150 nan 0.000 0.449 160 A N -1.336 121.502 122.820 0.031 0.000 2.067 160 A HA 0.040 4.356 4.320 -0.007 0.000 0.219 160 A C 2.138 179.829 177.584 0.179 0.000 1.158 160 A CA 1.638 53.755 52.037 0.134 0.000 0.661 160 A CB -0.399 18.738 19.000 0.227 0.000 0.801 160 A HN 0.628 nan 8.150 nan 0.000 0.452 161 M N -0.820 118.836 119.600 0.094 0.000 2.394 161 M HA 0.003 4.479 4.480 -0.007 0.000 0.266 161 M C 1.637 177.995 176.300 0.096 0.000 1.098 161 M CA 0.896 56.249 55.300 0.088 0.000 1.149 161 M CB 0.051 32.611 32.600 -0.067 0.000 1.369 161 M HN 0.146 nan 8.290 nan 0.000 0.450 162 V N 1.763 121.700 119.914 0.039 0.000 2.287 162 V HA -0.185 3.930 4.120 -0.007 0.000 0.248 162 V C -0.734 175.384 176.094 0.040 0.000 1.053 162 V CA 1.896 64.204 62.300 0.013 0.000 1.027 162 V CB -2.295 29.506 31.823 -0.036 0.000 0.646 162 V HN 0.377 nan 8.190 nan 0.000 0.447 163 P HA -0.096 nan 4.420 nan 0.000 0.226 163 P C 1.355 178.693 177.300 0.063 0.000 1.146 163 P CA 1.811 64.945 63.100 0.057 0.000 0.773 163 P CB -0.223 31.517 31.700 0.066 0.000 0.772 164 T N -5.539 109.071 114.554 0.094 0.000 3.010 164 T HA 0.216 4.561 4.350 -0.007 0.000 0.257 164 T C 0.673 175.424 174.700 0.086 0.000 1.020 164 T CA -0.300 61.855 62.100 0.092 0.000 0.938 164 T CB -0.671 68.267 68.868 0.118 0.000 1.049 164 T HN -0.096 nan 8.240 nan 0.000 0.522 165 L N 2.797 124.069 121.223 0.081 0.000 2.581 165 L HA 0.056 4.392 4.340 -0.007 0.000 0.299 165 L C 0.326 177.221 176.870 0.042 0.000 1.261 165 L CA 0.100 54.974 54.840 0.058 0.000 0.866 165 L CB 0.102 42.182 42.059 0.035 0.000 1.113 165 L HN 0.248 nan 8.230 nan 0.000 0.514 166 D N 1.014 121.436 120.400 0.037 0.000 2.443 166 D HA -0.001 4.634 4.640 -0.007 0.000 0.239 166 D C 0.275 176.589 176.300 0.025 0.000 1.136 166 D CA 0.257 54.274 54.000 0.028 0.000 0.879 166 D CB 0.860 41.674 40.800 0.024 0.000 1.195 166 D HN 0.473 nan 8.370 nan 0.000 0.443 167 T N 0.616 115.183 114.554 0.022 0.000 2.882 167 T HA 0.416 4.762 4.350 -0.007 0.000 0.287 167 T C -0.147 174.565 174.700 0.022 0.000 1.014 167 T CA -0.001 62.112 62.100 0.022 0.000 1.049 167 T CB 0.938 69.818 68.868 0.020 0.000 1.001 167 T HN 0.330 nan 8.240 nan 0.000 0.525 168 T N 1.046 115.614 114.554 0.024 0.000 2.802 168 T HA 0.361 4.707 4.350 -0.007 0.000 0.311 168 T C 0.330 175.046 174.700 0.026 0.000 1.405 168 T CA -0.474 61.641 62.100 0.024 0.000 1.016 168 T CB 1.871 70.755 68.868 0.027 0.000 1.352 168 T HN 0.746 nan 8.240 nan 0.000 0.498 169 E N 1.631 121.846 120.200 0.025 0.000 2.079 169 E HA 0.510 4.856 4.350 -0.007 0.000 0.191 169 E C 0.978 177.596 176.600 0.031 0.000 0.961 169 E CA 0.774 57.189 56.400 0.025 0.000 0.823 169 E CB -0.284 29.429 29.700 0.021 0.000 0.789 169 E HN 0.815 nan 8.360 nan 0.000 0.459 170 A N 0.525 123.364 122.820 0.032 0.000 2.536 170 A HA 0.379 4.694 4.320 -0.007 0.000 0.234 170 A C 0.320 177.937 177.584 0.055 0.000 1.076 170 A CA 0.543 52.604 52.037 0.039 0.000 0.769 170 A CB -0.071 18.950 19.000 0.035 0.000 1.020 170 A HN 0.447 nan 8.150 nan 0.000 0.508 171 A N 2.331 125.193 122.820 0.070 0.000 2.880 171 A HA 0.529 4.845 4.320 -0.007 0.000 0.328 171 A C 0.033 177.709 177.584 0.154 0.000 1.440 171 A CA -0.471 51.630 52.037 0.107 0.000 1.068 171 A CB -0.338 18.725 19.000 0.105 0.000 1.163 171 A HN 0.793 nan 8.150 nan 0.000 0.510 172 E N 1.244 121.521 120.200 0.127 0.000 2.263 172 E HA 0.503 4.849 4.350 -0.007 0.000 0.264 172 E C -0.970 175.713 176.600 0.138 0.000 0.923 172 E CA -0.901 55.558 56.400 0.100 0.000 0.802 172 E CB 2.099 31.829 29.700 0.050 0.000 1.228 172 E HN 0.523 nan 8.360 nan 0.000 0.417 173 L N 2.537 123.810 121.223 0.084 0.000 2.331 173 L HA 0.379 4.714 4.340 -0.007 0.000 0.278 173 L C -0.786 176.150 176.870 0.109 0.000 1.106 173 L CA -0.317 54.596 54.840 0.121 0.000 0.824 173 L CB 0.483 42.565 42.059 0.039 0.000 1.142 173 L HN 0.464 nan 8.230 nan 0.000 0.443 174 I N 4.670 125.337 120.570 0.161 0.000 2.362 174 I HA 0.243 4.409 4.170 -0.007 0.000 0.289 174 I C -0.524 175.708 176.117 0.191 0.000 0.994 174 I CA -0.647 60.743 61.300 0.151 0.000 1.158 174 I CB 1.951 40.034 38.000 0.139 0.000 1.315 174 I HN 0.208 nan 8.210 nan 0.000 0.451 175 V N 7.539 127.551 119.914 0.163 0.000 2.350 175 V HA 0.280 4.395 4.120 -0.007 0.000 0.276 175 V C 0.078 176.266 176.094 0.158 0.000 1.028 175 V CA -0.666 61.764 62.300 0.217 0.000 0.860 175 V CB 1.334 33.312 31.823 0.258 0.000 0.990 175 V HN 0.378 nan 8.190 nan 0.000 0.453 176 V N 3.278 123.301 119.914 0.182 0.000 2.439 176 V HA 0.954 5.070 4.120 -0.007 0.000 0.282 176 V C 0.630 176.754 176.094 0.050 0.000 1.039 176 V CA 0.018 62.380 62.300 0.104 0.000 0.913 176 V CB 0.797 32.686 31.823 0.110 0.000 0.983 176 V HN 1.252 nan 8.190 nan 0.000 0.460 177 G N 3.138 111.944 108.800 0.009 0.000 3.239 177 G HA2 0.441 4.397 3.960 -0.007 0.000 0.666 177 G HA3 0.441 4.397 3.960 -0.007 0.000 0.666 177 G C -0.435 174.465 174.900 -0.001 0.000 1.313 177 G CA -0.462 44.617 45.100 -0.035 0.000 1.001 177 G HN 1.405 nan 8.290 nan 0.000 0.573 178 A N 2.353 125.218 122.820 0.075 0.000 2.492 178 A HA 0.698 5.013 4.320 -0.007 0.000 0.254 178 A C 0.573 178.166 177.584 0.015 0.000 1.091 178 A CA 0.321 52.406 52.037 0.080 0.000 0.768 178 A CB 0.189 19.303 19.000 0.191 0.000 1.028 178 A HN 1.233 nan 8.150 nan 0.000 0.498 179 L N 3.540 124.751 121.223 -0.020 0.000 2.341 179 L HA 0.441 4.777 4.340 -0.007 0.000 0.267 179 L C -2.291 174.567 176.870 -0.021 0.000 1.009 179 L CA -2.425 52.385 54.840 -0.050 0.000 0.819 179 L CB 2.080 44.074 42.059 -0.110 0.000 1.323 179 L HN 0.398 nan 8.230 nan 0.000 0.425 180 P HA -0.071 nan 4.420 nan 0.000 0.264 180 P C -0.265 177.023 177.300 -0.021 0.000 1.173 180 P CA 0.264 63.362 63.100 -0.002 0.000 0.761 180 P CB 0.584 32.282 31.700 -0.002 0.000 0.794 181 D N 1.673 122.066 120.400 -0.012 0.000 2.116 181 D HA -0.170 4.466 4.640 -0.007 0.000 0.193 181 D C 1.801 178.074 176.300 -0.045 0.000 0.998 181 D CA 1.694 55.680 54.000 -0.025 0.000 0.836 181 D CB -0.646 40.147 40.800 -0.011 0.000 0.951 181 D HN 0.274 nan 8.370 nan 0.000 0.449 182 V N -0.978 118.914 119.914 -0.038 0.000 2.324 182 V HA -0.240 3.876 4.120 -0.007 0.000 0.250 182 V C 2.210 178.251 176.094 -0.088 0.000 1.060 182 V CA 1.724 63.995 62.300 -0.049 0.000 1.042 182 V CB -1.006 30.799 31.823 -0.031 0.000 0.650 182 V HN 0.086 nan 8.190 nan 0.000 0.450 183 V N 0.883 120.741 119.914 -0.094 0.000 2.261 183 V HA -0.289 3.826 4.120 -0.007 0.000 0.246 183 V C 2.757 178.686 176.094 -0.274 0.000 1.047 183 V CA 2.533 64.740 62.300 -0.156 0.000 1.015 183 V CB -1.007 30.775 31.823 -0.069 0.000 0.642 183 V HN 0.802 nan 8.190 nan 0.000 0.446 184 E N 0.357 120.439 120.200 -0.195 0.000 2.164 184 E HA -0.335 4.011 4.350 -0.007 0.000 0.206 184 E C 1.732 178.211 176.600 -0.201 0.000 1.032 184 E CA 2.171 58.457 56.400 -0.191 0.000 0.832 184 E CB -0.174 29.464 29.700 -0.103 0.000 0.742 184 E HN 0.693 nan 8.360 nan 0.000 0.460 185 D N -0.080 120.223 120.400 -0.162 0.000 2.149 185 D HA -0.132 4.504 4.640 -0.007 0.000 0.201 185 D C 2.042 178.236 176.300 -0.177 0.000 0.972 185 D CA 0.850 54.769 54.000 -0.136 0.000 0.835 185 D CB -0.318 40.428 40.800 -0.089 0.000 0.966 185 D HN 0.415 nan 8.370 nan 0.000 0.476 186 Q N 0.217 119.878 119.800 -0.232 0.000 2.084 186 Q HA -0.138 4.197 4.340 -0.007 0.000 0.202 186 Q C 2.431 178.196 176.000 -0.391 0.000 0.978 186 Q CA 1.054 56.703 55.803 -0.257 0.000 0.844 186 Q CB -0.285 28.291 28.738 -0.270 0.000 0.898 186 Q HN 0.316 nan 8.270 nan 0.000 0.426 187 C N 0.515 119.430 119.300 -0.642 0.000 2.442 187 C HA -0.145 4.311 4.460 -0.007 0.000 0.279 187 C C 2.486 177.320 174.990 -0.259 0.000 1.237 187 C CA 0.402 58.980 59.018 -0.734 0.000 1.722 187 C CB -1.091 26.141 27.740 -0.847 0.000 2.056 187 C HN 0.476 nan 8.230 nan 0.000 0.469 188 L N 1.079 122.193 121.223 -0.181 0.000 2.030 188 L HA -0.178 4.157 4.340 -0.007 0.000 0.222 188 L C 2.892 179.721 176.870 -0.069 0.000 1.082 188 L CA 2.532 57.318 54.840 -0.089 0.000 0.785 188 L CB -1.833 40.179 42.059 -0.079 0.000 0.895 188 L HN 0.548 nan 8.230 nan 0.000 0.439 189 S N -0.850 114.799 115.700 -0.086 0.000 2.351 189 S HA -0.180 4.286 4.470 -0.007 0.000 0.220 189 S C 2.067 176.651 174.600 -0.026 0.000 1.035 189 S CA 1.579 59.747 58.200 -0.054 0.000 1.031 189 S CB -0.158 63.006 63.200 -0.059 0.000 0.928 189 S HN 0.382 nan 8.310 nan 0.000 0.433 190 L N 1.099 122.312 121.223 -0.018 0.000 2.046 190 L HA -0.090 4.246 4.340 -0.007 0.000 0.208 190 L C 2.433 179.339 176.870 0.060 0.000 1.077 190 L CA 1.080 55.945 54.840 0.042 0.000 0.747 190 L CB -0.621 41.499 42.059 0.103 0.000 0.896 190 L HN 0.306 nan 8.230 nan 0.000 0.432 191 L N -0.783 120.475 121.223 0.058 0.000 2.079 191 L HA -0.210 4.126 4.340 -0.007 0.000 0.210 191 L C 2.638 179.508 176.870 -0.001 0.000 1.081 191 L CA 1.390 56.261 54.840 0.050 0.000 0.752 191 L CB -0.884 41.204 42.059 0.048 0.000 0.896 191 L HN 0.300 nan 8.230 nan 0.000 0.433 192 T N -0.882 113.664 114.554 -0.012 0.000 2.708 192 T HA -0.229 4.117 4.350 -0.007 0.000 0.266 192 T C 1.836 176.531 174.700 -0.009 0.000 1.037 192 T CA 1.343 63.430 62.100 -0.023 0.000 1.146 192 T CB -0.163 68.691 68.868 -0.024 0.000 0.865 192 T HN 0.410 nan 8.240 nan 0.000 0.435 193 Q N 0.373 120.175 119.800 0.004 0.000 2.364 193 Q HA 0.131 4.467 4.340 -0.007 0.000 0.207 193 Q C 2.117 178.132 176.000 0.025 0.000 0.970 193 Q CA 0.665 56.473 55.803 0.009 0.000 0.888 193 Q CB -0.291 28.450 28.738 0.006 0.000 0.951 193 Q HN 0.471 nan 8.270 nan 0.000 0.469 194 L N -1.024 120.225 121.223 0.043 0.000 2.395 194 L HA 0.045 4.381 4.340 -0.007 0.000 0.218 194 L C 1.253 178.149 176.870 0.043 0.000 1.130 194 L CA 0.718 55.602 54.840 0.074 0.000 0.826 194 L CB -0.059 42.074 42.059 0.122 0.000 0.941 194 L HN 0.454 nan 8.230 nan 0.000 0.451 195 G N -0.370 108.434 108.800 0.006 0.000 2.148 195 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.203 195 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.203 195 G C 0.133 174.995 174.900 -0.063 0.000 0.993 195 G CA -0.159 44.933 45.100 -0.014 0.000 0.661 195 G HN 0.050 nan 8.290 nan 0.000 0.518 196 V N 2.088 121.935 119.914 -0.112 0.000 2.326 196 V HA 0.564 4.680 4.120 -0.007 0.000 0.249 196 V C 1.580 177.548 176.094 -0.210 0.000 1.114 196 V CA -0.057 62.085 62.300 -0.264 0.000 1.028 196 V CB 0.178 31.771 31.823 -0.384 0.000 1.170 196 V HN 0.698 nan 8.190 nan 0.000 0.494 197 G N 5.784 114.483 108.800 -0.169 0.000 2.699 197 G HA2 0.304 4.260 3.960 -0.007 0.000 0.246 197 G HA3 0.304 4.260 3.960 -0.007 0.000 0.246 197 G C -2.170 172.660 174.900 -0.117 0.000 1.219 197 G CA -0.947 44.091 45.100 -0.104 0.000 0.866 197 G HN 0.615 nan 8.290 nan 0.000 0.572 198 P HA -0.067 nan 4.420 nan 0.000 0.259 198 P C -0.293 176.976 177.300 -0.052 0.000 1.111 198 P CA 0.443 63.517 63.100 -0.044 0.000 0.758 198 P CB 0.122 31.810 31.700 -0.019 0.000 0.693 199 V N 5.187 125.077 119.914 -0.040 0.000 2.588 199 V HA 0.642 4.758 4.120 -0.007 0.000 0.304 199 V C -0.568 175.528 176.094 0.004 0.000 1.042 199 V CA -0.743 61.544 62.300 -0.022 0.000 0.877 199 V CB 2.011 33.812 31.823 -0.036 0.000 0.996 199 V HN 0.353 nan 8.190 nan 0.000 0.425 200 R N 6.204 126.719 120.500 0.025 0.000 2.873 200 R HA 0.686 5.021 4.340 -0.007 0.000 0.264 200 R C -0.900 175.425 176.300 0.042 0.000 1.026 200 R CA -1.008 55.108 56.100 0.028 0.000 1.002 200 R CB 1.645 31.961 30.300 0.027 0.000 1.174 200 R HN 0.653 nan 8.270 nan 0.000 0.488 201 M N 1.694 121.313 119.600 0.031 0.000 2.300 201 M HA 0.416 4.892 4.480 -0.007 0.000 0.348 201 M C -0.532 175.786 176.300 0.030 0.000 1.151 201 M CA -1.076 54.245 55.300 0.035 0.000 1.046 201 M CB 1.018 33.629 32.600 0.019 0.000 1.647 201 M HN 0.345 nan 8.290 nan 0.000 0.451 202 L N 6.692 127.934 121.223 0.032 0.000 2.319 202 L HA 0.616 4.952 4.340 -0.007 0.000 0.281 202 L C -2.353 174.529 176.870 0.020 0.000 1.005 202 L CA -1.228 53.621 54.840 0.015 0.000 0.828 202 L CB 1.766 43.819 42.059 -0.009 0.000 1.227 202 L HN 0.390 nan 8.230 nan 0.000 0.415 203 P HA 0.377 nan 4.420 nan 0.000 0.282 203 P C -1.113 176.206 177.300 0.032 0.000 1.259 203 P CA -0.566 62.548 63.100 0.025 0.000 0.826 203 P CB 1.371 33.092 31.700 0.034 0.000 1.064 204 A N 2.310 125.150 122.820 0.033 0.000 2.287 204 A HA 0.266 4.582 4.320 -0.007 0.000 0.273 204 A C 1.467 179.075 177.584 0.040 0.000 1.091 204 A CA -0.452 51.604 52.037 0.032 0.000 0.817 204 A CB 0.077 19.095 19.000 0.029 0.000 1.069 204 A HN 0.483 nan 8.150 nan 0.000 0.492 205 R N -0.802 119.717 120.500 0.032 0.000 2.189 205 R HA 0.019 4.355 4.340 -0.007 0.000 0.218 205 R C 0.800 177.126 176.300 0.044 0.000 1.074 205 R CA 1.079 57.200 56.100 0.034 0.000 0.991 205 R CB 0.046 30.359 30.300 0.022 0.000 0.883 205 R HN 0.664 nan 8.270 nan 0.000 0.457 206 R N -1.191 119.334 120.500 0.041 0.000 2.774 206 R HA 0.107 4.442 4.340 -0.007 0.000 0.272 206 R C 0.488 176.814 176.300 0.043 0.000 1.000 206 R CA -0.154 55.972 56.100 0.043 0.000 0.906 206 R CB 1.473 31.791 30.300 0.030 0.000 1.227 206 R HN -0.015 nan 8.270 nan 0.000 0.468 207 S N -0.579 115.147 115.700 0.044 0.000 2.527 207 S HA -0.105 4.361 4.470 -0.007 0.000 0.222 207 S C 0.861 175.482 174.600 0.035 0.000 0.985 207 S CA 1.123 59.350 58.200 0.046 0.000 0.921 207 S CB -0.177 63.055 63.200 0.054 0.000 0.772 207 S HN 0.784 nan 8.310 nan 0.000 0.529 208 D N 2.005 122.418 120.400 0.021 0.000 2.348 208 D HA 0.018 4.654 4.640 -0.007 0.000 0.211 208 D C 1.136 177.446 176.300 0.017 0.000 0.998 208 D CA 0.195 54.203 54.000 0.013 0.000 0.873 208 D CB -0.474 40.326 40.800 0.000 0.000 0.925 208 D HN 0.721 nan 8.370 nan 0.000 0.524 209 I N -2.318 118.264 120.570 0.020 0.000 3.399 209 I HA 0.359 4.524 4.170 -0.007 0.000 0.345 209 I C -0.539 175.592 176.117 0.023 0.000 1.512 209 I CA -0.846 60.465 61.300 0.019 0.000 1.047 209 I CB 0.229 38.238 38.000 0.015 0.000 1.552 209 I HN -0.273 nan 8.210 nan 0.000 0.494 210 E N 4.463 124.680 120.200 0.028 0.000 2.344 210 E HA 0.261 4.606 4.350 -0.007 0.000 0.270 210 E C -2.069 174.546 176.600 0.026 0.000 1.021 210 E CA -1.546 54.872 56.400 0.030 0.000 0.887 210 E CB 0.579 30.303 29.700 0.040 0.000 0.997 210 E HN 0.314 nan 8.360 nan 0.000 0.429 211 P HA 0.044 nan 4.420 nan 0.000 0.268 211 P C -0.685 176.628 177.300 0.022 0.000 1.205 211 P CA -0.068 63.046 63.100 0.022 0.000 0.771 211 P CB 0.664 32.377 31.700 0.022 0.000 0.858 212 A N 2.900 125.735 122.820 0.024 0.000 2.304 212 A HA 0.581 4.897 4.320 -0.007 0.000 0.271 212 A C 0.185 177.785 177.584 0.026 0.000 1.091 212 A CA -0.377 51.675 52.037 0.025 0.000 0.812 212 A CB 0.575 19.590 19.000 0.025 0.000 1.056 212 A HN 0.517 nan 8.150 nan 0.000 0.489 213 V N -1.344 118.584 119.914 0.023 0.000 2.962 213 V HA 1.030 5.145 4.120 -0.007 0.000 0.313 213 V C -0.039 176.073 176.094 0.031 0.000 1.099 213 V CA 0.238 62.554 62.300 0.027 0.000 0.971 213 V CB 1.477 33.302 31.823 0.005 0.000 1.028 213 V HN 1.922 nan 8.190 nan 0.000 0.430 214 G N 1.580 110.405 108.800 0.042 0.000 2.550 214 G HA2 0.635 4.590 3.960 -0.007 0.000 0.293 214 G HA3 0.635 4.590 3.960 -0.007 0.000 0.293 214 G C -2.686 172.242 174.900 0.047 0.000 1.402 214 G CA -0.249 44.874 45.100 0.039 0.000 0.784 214 G HN 0.527 nan 8.290 nan 0.000 0.482 215 P HA -0.096 nan 4.420 nan 0.000 0.221 215 P C 0.696 178.017 177.300 0.035 0.000 1.145 215 P CA 1.188 64.310 63.100 0.036 0.000 0.795 215 P CB 0.122 31.837 31.700 0.026 0.000 0.775 216 N N -1.940 116.783 118.700 0.038 0.000 2.205 216 N HA 0.036 4.772 4.740 -0.007 0.000 0.201 216 N C -0.040 175.502 175.510 0.053 0.000 1.128 216 N CA 0.004 53.074 53.050 0.034 0.000 0.867 216 N CB -0.043 38.462 38.487 0.030 0.000 0.996 216 N HN -0.050 nan 8.380 nan 0.000 0.503 217 T N 2.169 116.769 114.554 0.076 0.000 2.888 217 T HA 0.142 4.488 4.350 -0.007 0.000 0.301 217 T C 0.267 175.048 174.700 0.135 0.000 1.001 217 T CA 0.085 62.252 62.100 0.113 0.000 1.147 217 T CB 0.509 69.449 68.868 0.119 0.000 0.931 217 T HN 0.044 nan 8.240 nan 0.000 0.541 218 R N 2.479 123.064 120.500 0.140 0.000 2.664 218 R HA 0.641 4.977 4.340 -0.007 0.000 0.286 218 R C -0.628 175.794 176.300 0.204 0.000 0.967 218 R CA -0.702 55.451 56.100 0.088 0.000 0.933 218 R CB 1.332 31.617 30.300 -0.025 0.000 1.146 218 R HN 0.698 nan 8.270 nan 0.000 0.468 219 F N -0.399 119.550 119.950 -0.000 0.000 2.613 219 F HA 0.747 5.269 4.527 -0.007 0.000 0.314 219 F C -0.911 174.869 175.800 -0.034 0.000 1.075 219 F CA -1.398 56.605 58.000 0.005 0.000 0.945 219 F CB 1.492 40.502 39.000 0.016 0.000 1.310 219 F HN 0.438 nan 8.300 nan 0.000 0.467 220 I N 2.897 123.516 120.570 0.081 0.000 2.730 220 I HA 0.477 4.643 4.170 -0.007 0.000 0.298 220 I C -1.569 174.675 176.117 0.212 0.000 1.089 220 I CA -1.209 60.057 61.300 -0.057 0.000 1.041 220 I CB 2.169 39.980 38.000 -0.316 0.000 1.235 220 I HN 0.707 nan 8.210 nan 0.000 0.423 221 L N 7.084 128.428 121.223 0.201 0.000 2.313 221 L HA 0.366 4.702 4.340 -0.007 0.000 0.282 221 L C 1.180 178.354 176.870 0.507 0.000 1.092 221 L CA -0.173 54.872 54.840 0.342 0.000 0.831 221 L CB 1.487 43.772 42.059 0.376 0.000 1.159 221 L HN 0.814 nan 8.230 nan 0.000 0.442 222 A N 3.489 126.489 122.820 0.300 0.000 2.123 222 A HA 0.068 4.383 4.320 -0.007 0.000 0.214 222 A C 0.741 178.278 177.584 -0.079 0.000 1.152 222 A CA 0.733 52.777 52.037 0.012 0.000 0.728 222 A CB 0.142 19.044 19.000 -0.165 0.000 0.814 222 A HN 0.723 nan 8.150 nan 0.000 0.464 223 Q N -1.360 118.405 119.800 -0.058 0.000 2.315 223 Q HA 0.256 4.592 4.340 -0.007 0.000 0.273 223 Q C -2.445 173.085 176.000 -0.784 0.000 1.053 223 Q CA -1.781 53.690 55.803 -0.552 0.000 0.817 223 Q CB 2.453 30.621 28.738 -0.951 0.000 1.326 223 Q HN 0.092 nan 8.270 nan 0.000 0.423 224 P HA -0.075 nan 4.420 nan 0.000 0.223 224 P C 0.601 177.741 177.300 -0.267 0.000 1.151 224 P CA 0.993 63.512 63.100 -0.967 0.000 0.787 224 P CB -0.085 31.106 31.700 -0.848 0.000 0.788 225 F N -1.661 118.241 119.950 -0.080 0.000 2.873 225 F HA 0.399 4.922 4.527 -0.007 0.000 0.289 225 F C 0.633 176.481 175.800 0.080 0.000 1.206 225 F CA -0.517 57.510 58.000 0.045 0.000 1.401 225 F CB -0.987 38.029 39.000 0.026 0.000 0.996 225 F HN -0.304 nan 8.300 nan 0.000 0.511 226 L N 1.040 122.311 121.223 0.080 0.000 3.141 226 L HA 0.403 4.738 4.340 -0.007 0.000 0.263 226 L C 1.895 178.829 176.870 0.106 0.000 1.312 226 L CA -0.335 54.559 54.840 0.090 0.000 1.012 226 L CB 0.348 42.410 42.059 0.005 0.000 1.408 226 L HN 0.513 nan 8.230 nan 0.000 0.559 227 G N 0.034 108.937 108.800 0.172 0.000 2.480 227 G HA2 -0.219 3.736 3.960 -0.007 0.000 0.216 227 G HA3 -0.219 3.736 3.960 -0.007 0.000 0.216 227 G C 1.274 176.283 174.900 0.183 0.000 1.200 227 G CA 0.578 45.809 45.100 0.220 0.000 0.782 227 G HN 0.419 nan 8.290 nan 0.000 0.554 228 E N -0.057 120.226 120.200 0.139 0.000 2.106 228 E HA -0.093 4.253 4.350 -0.007 0.000 0.192 228 E C 2.802 179.438 176.600 0.060 0.000 0.984 228 E CA 1.429 57.886 56.400 0.094 0.000 0.806 228 E CB -0.290 29.448 29.700 0.064 0.000 0.750 228 E HN 0.376 nan 8.360 nan 0.000 0.458 229 T N 0.838 115.417 114.554 0.041 0.000 2.777 229 T HA -0.111 4.235 4.350 -0.007 0.000 0.266 229 T C 2.051 176.711 174.700 -0.066 0.000 1.040 229 T CA 1.626 63.713 62.100 -0.023 0.000 1.141 229 T CB -0.415 68.434 68.868 -0.032 0.000 0.868 229 T HN 0.159 nan 8.240 nan 0.000 0.444 230 T N 1.468 116.038 114.554 0.027 0.000 2.635 230 T HA -0.108 4.238 4.350 -0.007 0.000 0.267 230 T C 2.299 177.074 174.700 0.124 0.000 1.040 230 T CA 1.470 63.651 62.100 0.136 0.000 1.156 230 T CB -1.069 67.943 68.868 0.240 0.000 0.863 230 T HN 0.523 nan 8.240 nan 0.000 0.430 231 G N 1.162 110.036 108.800 0.124 0.000 2.513 231 G HA2 -0.150 3.806 3.960 -0.007 0.000 0.219 231 G HA3 -0.150 3.806 3.960 -0.007 0.000 0.219 231 G C 1.800 176.739 174.900 0.066 0.000 1.160 231 G CA 1.134 46.304 45.100 0.116 0.000 0.767 231 G HN 0.627 nan 8.290 nan 0.000 0.571 232 A N 0.157 122.990 122.820 0.022 0.000 1.929 232 A HA 0.251 4.567 4.320 -0.007 0.000 0.216 232 A C 2.444 180.005 177.584 -0.039 0.000 1.176 232 A CA 1.033 53.070 52.037 -0.000 0.000 0.628 232 A CB -0.320 18.677 19.000 -0.005 0.000 0.816 232 A HN 0.342 nan 8.150 nan 0.000 0.444 233 L N -0.669 120.473 121.223 -0.134 0.000 2.046 233 L HA -0.216 4.120 4.340 -0.007 0.000 0.208 233 L C 2.581 179.433 176.870 -0.031 0.000 1.077 233 L CA 1.664 56.364 54.840 -0.233 0.000 0.747 233 L CB -0.473 41.108 42.059 -0.796 0.000 0.896 233 L HN 0.465 nan 8.230 nan 0.000 0.432 234 E N -0.322 119.931 120.200 0.087 0.000 2.077 234 E HA -0.237 4.109 4.350 -0.007 0.000 0.193 234 E C 2.207 178.862 176.600 0.093 0.000 0.989 234 E CA 0.810 57.308 56.400 0.162 0.000 0.800 234 E CB -0.032 29.778 29.700 0.183 0.000 0.746 234 E HN 0.255 nan 8.360 nan 0.000 0.452 235 R N 0.430 120.968 120.500 0.064 0.000 2.328 235 R HA -0.018 4.317 4.340 -0.007 0.000 0.207 235 R C 1.092 177.415 176.300 0.038 0.000 1.056 235 R CA 0.455 56.584 56.100 0.049 0.000 1.016 235 R CB 0.233 30.559 30.300 0.043 0.000 0.872 235 R HN -0.065 nan 8.270 nan 0.000 0.471 236 R N -1.093 119.428 120.500 0.034 0.000 2.393 236 R HA 0.137 4.473 4.340 -0.007 0.000 0.244 236 R C 0.800 177.125 176.300 0.042 0.000 0.920 236 R CA 0.644 56.761 56.100 0.029 0.000 1.076 236 R CB 1.059 31.365 30.300 0.011 0.000 1.119 236 R HN 0.406 nan 8.270 nan 0.000 0.524 237 G N 0.599 109.433 108.800 0.056 0.000 2.179 237 G HA2 -0.319 3.636 3.960 -0.007 0.000 0.260 237 G HA3 -0.319 3.636 3.960 -0.007 0.000 0.260 237 G C 0.319 175.268 174.900 0.082 0.000 0.977 237 G CA 0.269 45.405 45.100 0.060 0.000 0.641 237 G HN 0.533 nan 8.290 nan 0.000 0.533 238 A N 0.009 122.900 122.820 0.119 0.000 2.388 238 A HA 0.659 4.975 4.320 -0.007 0.000 0.257 238 A C 0.436 178.187 177.584 0.279 0.000 1.095 238 A CA 0.600 52.753 52.037 0.193 0.000 0.791 238 A CB 0.630 19.764 19.000 0.223 0.000 1.029 238 A HN 0.550 nan 8.150 nan 0.000 0.489 239 K N 2.042 122.543 120.400 0.169 0.000 2.244 239 K HA 0.343 4.659 4.320 -0.007 0.000 0.260 239 K C 0.077 176.494 176.600 -0.306 0.000 0.951 239 K CA -0.652 55.638 56.287 0.005 0.000 0.826 239 K CB 1.063 33.533 32.500 -0.050 0.000 1.108 239 K HN 0.846 nan 8.250 nan 0.000 0.433 240 R N 3.485 123.646 120.500 -0.566 0.000 2.738 240 R HA 0.227 4.562 4.340 -0.007 0.000 0.268 240 R C -0.483 175.462 176.300 -0.593 0.000 1.062 240 R CA -0.055 55.401 56.100 -1.074 0.000 1.158 240 R CB 0.488 30.333 30.300 -0.757 0.000 1.046 240 R HN 0.578 nan 8.270 nan 0.000 0.493 241 I N 2.640 122.866 120.570 -0.573 0.000 2.382 241 I HA 0.266 4.432 4.170 -0.007 0.000 0.286 241 I C -0.022 175.871 176.117 -0.373 0.000 1.002 241 I CA -0.646 60.415 61.300 -0.399 0.000 1.135 241 I CB 1.833 39.608 38.000 -0.375 0.000 1.288 241 I HN 0.680 nan 8.210 nan 0.000 0.448 242 A N 5.491 128.132 122.820 -0.298 0.000 2.407 242 A HA 0.833 5.149 4.320 -0.007 0.000 0.248 242 A C -0.073 177.326 177.584 -0.309 0.000 1.082 242 A CA -0.031 51.845 52.037 -0.267 0.000 0.785 242 A CB 0.529 19.416 19.000 -0.188 0.000 1.020 242 A HN 0.911 nan 8.150 nan 0.000 0.489 243 A N 2.985 125.603 122.820 -0.338 0.000 2.573 243 A HA 0.698 5.013 4.320 -0.007 0.000 0.299 243 A C -3.217 174.168 177.584 -0.332 0.000 1.060 243 A CA -1.083 50.752 52.037 -0.337 0.000 0.736 243 A CB 0.949 19.634 19.000 -0.524 0.000 1.280 243 A HN 0.632 nan 8.150 nan 0.000 0.401 244 P HA 0.437 nan 4.420 nan 0.000 0.272 244 P C -0.607 176.658 177.300 -0.057 0.000 1.223 244 P CA 0.102 63.136 63.100 -0.111 0.000 0.784 244 P CB 0.221 31.930 31.700 0.015 0.000 0.923 245 F N 2.409 122.471 119.950 0.187 0.000 2.471 245 F HA 0.175 4.698 4.527 -0.007 0.000 0.353 245 F C -1.146 174.613 175.800 -0.068 0.000 1.113 245 F CA -1.824 56.260 58.000 0.139 0.000 1.262 245 F CB -0.242 38.919 39.000 0.269 0.000 1.146 245 F HN 0.205 nan 8.300 nan 0.000 0.578 246 P HA 0.076 nan 4.420 nan 0.000 0.249 246 P C -1.106 175.657 177.300 -0.894 0.000 1.737 246 P CA 0.487 63.074 63.100 -0.854 0.000 1.128 246 P CB -0.597 30.025 31.700 -1.796 0.000 1.942 247 F N 1.540 121.346 119.950 -0.240 0.000 2.539 247 F HA 0.617 5.139 4.527 -0.008 0.000 0.318 247 F C 1.140 176.812 175.800 -0.212 0.000 1.135 247 F CA -0.123 57.689 58.000 -0.314 0.000 0.915 247 F CB 2.175 41.005 39.000 -0.283 0.000 1.176 247 F HN 0.444 nan 8.300 nan 0.000 0.440 248 G N 2.392 111.082 108.800 -0.183 0.000 2.828 248 G HA2 -0.227 3.729 3.960 -0.007 0.000 0.463 248 G HA3 -0.227 3.729 3.960 -0.007 0.000 0.463 248 G C 0.594 175.594 174.900 0.166 0.000 1.394 248 G CA 0.029 45.253 45.100 0.207 0.000 0.862 248 G HN 0.731 nan 8.290 nan 0.000 0.540 249 E N -0.166 120.200 120.200 0.276 0.000 2.072 249 E HA -0.119 4.226 4.350 -0.007 0.000 0.191 249 E C 2.133 178.888 176.600 0.258 0.000 0.985 249 E CA 1.737 58.332 56.400 0.325 0.000 0.801 249 E CB -0.133 29.727 29.700 0.266 0.000 0.750 249 E HN 0.677 nan 8.360 nan 0.000 0.452 250 E N -0.520 119.795 120.200 0.193 0.000 2.110 250 E HA -0.133 4.212 4.350 -0.007 0.000 0.193 250 E C 1.898 178.568 176.600 0.117 0.000 0.988 250 E CA 0.964 57.448 56.400 0.141 0.000 0.804 250 E CB -0.201 29.556 29.700 0.095 0.000 0.745 250 E HN 0.345 nan 8.360 nan 0.000 0.458 251 G N 0.136 108.998 108.800 0.104 0.000 2.524 251 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.215 251 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.215 251 G C 1.587 176.449 174.900 -0.064 0.000 1.239 251 G CA 1.455 46.581 45.100 0.044 0.000 0.798 251 G HN 0.263 nan 8.290 nan 0.000 0.557 252 T N 1.183 115.579 114.554 -0.264 0.000 2.653 252 T HA -0.205 4.140 4.350 -0.007 0.000 0.268 252 T C 2.535 177.143 174.700 -0.154 0.000 1.035 252 T CA 2.056 63.841 62.100 -0.525 0.000 1.154 252 T CB -0.802 67.453 68.868 -1.022 0.000 0.862 252 T HN 0.331 nan 8.240 nan 0.000 0.441 253 T N 2.417 117.021 114.554 0.084 0.000 2.595 253 T HA -0.053 4.292 4.350 -0.007 0.000 0.264 253 T C 1.923 176.809 174.700 0.309 0.000 1.058 253 T CA 0.897 63.193 62.100 0.326 0.000 1.166 253 T CB -0.571 68.511 68.868 0.358 0.000 0.863 253 T HN 0.051 nan 8.240 nan 0.000 0.415 254 L N -0.303 121.032 121.223 0.186 0.000 2.043 254 L HA -0.081 4.255 4.340 -0.007 0.000 0.212 254 L C 2.076 178.997 176.870 0.084 0.000 1.075 254 L CA 1.362 56.263 54.840 0.101 0.000 0.752 254 L CB -1.320 40.770 42.059 0.053 0.000 0.891 254 L HN 0.436 nan 8.230 nan 0.000 0.432 255 W N -0.425 120.820 121.300 -0.091 0.000 2.332 255 W HA -0.264 4.392 4.660 -0.006 0.000 0.321 255 W C 2.388 178.884 176.519 -0.038 0.000 1.219 255 W CA 1.289 58.550 57.345 -0.140 0.000 1.277 255 W CB -0.164 29.133 29.460 -0.272 0.000 1.161 255 W HN 0.019 nan 8.180 nan 0.000 0.476 256 L N 1.044 122.490 121.223 0.373 0.000 1.990 256 L HA -0.251 4.085 4.340 -0.007 0.000 0.213 256 L C 2.349 179.338 176.870 0.199 0.000 1.072 256 L CA 2.337 57.394 54.840 0.362 0.000 0.755 256 L CB -2.146 40.227 42.059 0.524 0.000 0.889 256 L HN 0.030 nan 8.230 nan 0.000 0.432 257 K N -0.043 120.453 120.400 0.161 0.000 2.089 257 K HA -0.205 4.111 4.320 -0.007 0.000 0.210 257 K C 2.001 178.456 176.600 -0.243 0.000 1.048 257 K CA 1.757 57.879 56.287 -0.276 0.000 0.926 257 K CB -0.368 31.975 32.500 -0.262 0.000 0.714 257 K HN 0.303 nan 8.250 nan 0.000 0.448 258 A N -0.345 122.354 122.820 -0.202 0.000 1.930 258 A HA -0.080 4.236 4.320 -0.007 0.000 0.217 258 A C 2.282 179.721 177.584 -0.242 0.000 1.175 258 A CA 1.731 53.618 52.037 -0.250 0.000 0.627 258 A CB -0.538 18.270 19.000 -0.320 0.000 0.815 258 A HN 0.134 nan 8.150 nan 0.000 0.443 259 V N -0.184 119.588 119.914 -0.237 0.000 2.379 259 V HA -0.174 3.941 4.120 -0.007 0.000 0.245 259 V C 3.036 179.147 176.094 0.029 0.000 1.044 259 V CA 1.623 63.858 62.300 -0.108 0.000 1.036 259 V CB -1.295 30.442 31.823 -0.143 0.000 0.664 259 V HN 0.597 nan 8.190 nan 0.000 0.453 260 A N 0.384 123.195 122.820 -0.015 0.000 1.873 260 A HA -0.311 4.004 4.320 -0.007 0.000 0.218 260 A C 1.994 179.547 177.584 -0.052 0.000 1.193 260 A CA 2.389 54.421 52.037 -0.008 0.000 0.629 260 A CB -0.760 18.164 19.000 -0.127 0.000 0.826 260 A HN 0.541 nan 8.150 nan 0.000 0.447 261 D N -0.087 120.230 120.400 -0.138 0.000 2.087 261 D HA -0.075 4.560 4.640 -0.007 0.000 0.192 261 D C 2.251 178.474 176.300 -0.128 0.000 0.993 261 D CA 1.812 55.727 54.000 -0.143 0.000 0.828 261 D CB -0.687 40.010 40.800 -0.173 0.000 0.968 261 D HN 0.427 nan 8.370 nan 0.000 0.448 262 A N -0.372 122.348 122.820 -0.167 0.000 2.024 262 A HA -0.193 4.122 4.320 -0.007 0.000 0.220 262 A C 1.472 178.848 177.584 -0.346 0.000 1.164 262 A CA 1.145 53.020 52.037 -0.270 0.000 0.643 262 A CB -0.710 18.081 19.000 -0.347 0.000 0.806 262 A HN 0.291 nan 8.150 nan 0.000 0.451 263 Y N -0.693 119.555 120.300 -0.087 0.000 2.485 263 Y HA 0.375 4.921 4.550 -0.007 0.000 0.260 263 Y C 1.487 177.360 175.900 -0.044 0.000 1.173 263 Y CA -0.195 57.870 58.100 -0.058 0.000 1.252 263 Y CB -0.023 38.409 38.460 -0.048 0.000 1.123 263 Y HN 0.397 nan 8.280 nan 0.000 0.524 264 G N 1.306 110.130 108.800 0.040 0.000 2.370 264 G HA2 -0.187 3.769 3.960 -0.007 0.000 0.295 264 G HA3 -0.187 3.769 3.960 -0.007 0.000 0.295 264 G C -0.785 174.137 174.900 0.038 0.000 1.045 264 G CA 0.231 45.342 45.100 0.018 0.000 1.199 264 G HN 0.120 nan 8.290 nan 0.000 0.513 265 V N 1.337 121.269 119.914 0.030 0.000 2.487 265 V HA 0.663 4.778 4.120 -0.007 0.000 0.298 265 V C 0.931 177.044 176.094 0.032 0.000 1.028 265 V CA -0.369 61.960 62.300 0.048 0.000 0.860 265 V CB 1.778 33.651 31.823 0.083 0.000 0.991 265 V HN 1.201 nan 8.190 nan 0.000 0.427 266 S N 3.717 119.444 115.700 0.044 0.000 2.552 266 S HA 0.252 4.717 4.470 -0.007 0.000 0.289 266 S C 1.510 176.158 174.600 0.080 0.000 1.304 266 S CA 0.126 58.352 58.200 0.042 0.000 1.063 266 S CB 1.240 64.466 63.200 0.042 0.000 0.848 266 S HN 1.308 nan 8.310 nan 0.000 0.499 267 A N 2.173 125.028 122.820 0.058 0.000 2.042 267 A HA -0.200 4.116 4.320 -0.007 0.000 0.222 267 A C 2.065 179.749 177.584 0.167 0.000 1.167 267 A CA 2.092 54.199 52.037 0.117 0.000 0.649 267 A CB -1.118 17.922 19.000 0.067 0.000 0.809 267 A HN 1.017 nan 8.150 nan 0.000 0.457 268 E N 0.062 120.323 120.200 0.102 0.000 2.013 268 E HA -0.262 4.084 4.350 -0.007 0.000 0.202 268 E C 2.025 178.679 176.600 0.090 0.000 1.018 268 E CA 2.133 58.580 56.400 0.079 0.000 0.834 268 E CB -0.237 29.494 29.700 0.051 0.000 0.770 268 E HN 0.599 nan 8.360 nan 0.000 0.459 269 K N -1.014 119.444 120.400 0.098 0.000 2.147 269 K HA -0.151 4.164 4.320 -0.007 0.000 0.205 269 K C 2.077 178.751 176.600 0.124 0.000 1.049 269 K CA 1.290 57.631 56.287 0.090 0.000 0.936 269 K CB -0.395 32.155 32.500 0.083 0.000 0.722 269 K HN 0.225 nan 8.250 nan 0.000 0.446 270 F N 1.720 121.685 119.950 0.025 0.000 2.051 270 F HA -0.199 4.323 4.527 -0.007 0.000 0.296 270 F C 2.045 177.866 175.800 0.035 0.000 1.122 270 F CA 1.537 59.559 58.000 0.036 0.000 1.201 270 F CB 0.058 39.080 39.000 0.035 0.000 0.978 270 F HN 0.058 nan 8.300 nan 0.000 0.472 271 E N 0.709 120.952 120.200 0.071 0.000 2.110 271 E HA -0.175 4.170 4.350 -0.007 0.000 0.193 271 E C 2.288 178.835 176.600 -0.090 0.000 0.988 271 E CA 1.189 57.565 56.400 -0.040 0.000 0.804 271 E CB -1.053 28.680 29.700 0.056 0.000 0.745 271 E HN 0.509 nan 8.360 nan 0.000 0.458 272 A N 0.869 123.664 122.820 -0.041 0.000 1.968 272 A HA -0.064 4.252 4.320 -0.007 0.000 0.217 272 A C 2.566 180.109 177.584 -0.068 0.000 1.169 272 A CA 1.038 53.049 52.037 -0.043 0.000 0.638 272 A CB -0.387 18.606 19.000 -0.012 0.000 0.812 272 A HN 0.132 nan 8.150 nan 0.000 0.446 273 V N -1.383 118.479 119.914 -0.087 0.000 2.273 273 V HA -0.147 3.969 4.120 -0.007 0.000 0.242 273 V C 2.669 178.670 176.094 -0.155 0.000 1.035 273 V CA 2.358 64.602 62.300 -0.094 0.000 1.013 273 V CB -0.760 31.027 31.823 -0.061 0.000 0.652 273 V HN 0.546 nan 8.190 nan 0.000 0.452 274 T N -0.610 113.771 114.554 -0.288 0.000 3.035 274 T HA 0.022 4.368 4.350 -0.007 0.000 0.268 274 T C 1.789 176.305 174.700 -0.306 0.000 1.109 274 T CA 1.056 62.948 62.100 -0.346 0.000 1.119 274 T CB -0.174 68.276 68.868 -0.697 0.000 0.900 274 T HN 0.497 nan 8.240 nan 0.000 0.503 275 A N 1.503 124.189 122.820 -0.223 0.000 1.841 275 A HA 0.132 4.448 4.320 -0.007 0.000 0.216 275 A C 2.688 180.167 177.584 -0.175 0.000 1.199 275 A CA 2.030 53.966 52.037 -0.168 0.000 0.621 275 A CB -1.508 17.428 19.000 -0.108 0.000 0.835 275 A HN 0.564 nan 8.150 nan 0.000 0.445 276 A N 0.259 122.992 122.820 -0.146 0.000 1.869 276 A HA -0.137 4.179 4.320 -0.007 0.000 0.218 276 A C 0.357 177.836 177.584 -0.174 0.000 1.203 276 A CA 2.277 54.239 52.037 -0.126 0.000 0.638 276 A CB -2.020 16.926 19.000 -0.090 0.000 0.831 276 A HN 0.469 nan 8.150 nan 0.000 0.450 277 P HA -0.109 nan 4.420 nan 0.000 0.218 277 P C 1.451 178.395 177.300 -0.593 0.000 1.149 277 P CA 1.043 63.931 63.100 -0.353 0.000 0.817 277 P CB -0.125 31.360 31.700 -0.359 0.000 0.785 278 R N -0.475 119.621 120.500 -0.674 0.000 2.115 278 R HA -0.007 4.329 4.340 -0.007 0.000 0.230 278 R C 2.149 178.318 176.300 -0.218 0.000 1.111 278 R CA 1.419 57.206 56.100 -0.523 0.000 0.976 278 R CB -0.916 29.180 30.300 -0.340 0.000 0.870 278 R HN 0.179 nan 8.270 nan 0.000 0.445 279 A N 1.320 124.037 122.820 -0.171 0.000 1.854 279 A HA -0.120 4.196 4.320 -0.007 0.000 0.214 279 A C 2.055 179.601 177.584 -0.063 0.000 1.192 279 A CA 0.724 52.707 52.037 -0.089 0.000 0.611 279 A CB -0.344 18.611 19.000 -0.076 0.000 0.832 279 A HN 0.083 nan 8.150 nan 0.000 0.442 280 R N -0.351 120.104 120.500 -0.076 0.000 2.196 280 R HA -0.298 4.038 4.340 -0.007 0.000 0.244 280 R C 2.431 178.732 176.300 0.001 0.000 1.121 280 R CA 2.003 58.081 56.100 -0.037 0.000 0.930 280 R CB -1.302 28.972 30.300 -0.044 0.000 0.890 280 R HN 0.554 nan 8.270 nan 0.000 0.435 281 A N 0.951 123.771 122.820 -0.001 0.000 1.851 281 A HA -0.211 4.105 4.320 -0.007 0.000 0.216 281 A C 2.241 179.880 177.584 0.090 0.000 1.195 281 A CA 1.853 53.939 52.037 0.081 0.000 0.622 281 A CB -0.553 18.540 19.000 0.155 0.000 0.831 281 A HN 0.329 nan 8.150 nan 0.000 0.444 282 K N -0.401 120.032 120.400 0.056 0.000 2.103 282 K HA -0.212 4.104 4.320 -0.007 0.000 0.207 282 K C 2.214 178.848 176.600 0.057 0.000 1.048 282 K CA 1.900 58.224 56.287 0.062 0.000 0.930 282 K CB -0.166 32.352 32.500 0.029 0.000 0.716 282 K HN 0.506 nan 8.250 nan 0.000 0.444 283 K N -0.022 120.401 120.400 0.038 0.000 1.984 283 K HA -0.107 4.209 4.320 -0.007 0.000 0.209 283 K C 2.042 178.671 176.600 0.048 0.000 1.046 283 K CA 1.220 57.524 56.287 0.029 0.000 0.934 283 K CB -0.217 32.290 32.500 0.012 0.000 0.717 283 K HN 0.150 nan 8.250 nan 0.000 0.438 284 A N 1.406 124.266 122.820 0.067 0.000 1.958 284 A HA -0.206 4.110 4.320 -0.007 0.000 0.221 284 A C 2.090 179.782 177.584 0.180 0.000 1.178 284 A CA 1.795 53.894 52.037 0.102 0.000 0.642 284 A CB -0.756 18.312 19.000 0.113 0.000 0.816 284 A HN 0.396 nan 8.150 nan 0.000 0.453 285 I N -0.451 120.239 120.570 0.200 0.000 2.252 285 I HA -0.262 3.904 4.170 -0.007 0.000 0.245 285 I C 2.940 179.188 176.117 0.219 0.000 1.102 285 I CA 0.924 62.392 61.300 0.280 0.000 1.385 285 I CB -0.371 37.766 38.000 0.228 0.000 1.064 285 I HN 0.360 nan 8.210 nan 0.000 0.414 286 A N 0.950 123.831 122.820 0.102 0.000 1.986 286 A HA -0.228 4.088 4.320 -0.007 0.000 0.220 286 A C 2.525 180.102 177.584 -0.010 0.000 1.171 286 A CA 1.845 53.907 52.037 0.043 0.000 0.640 286 A CB -0.813 18.199 19.000 0.020 0.000 0.811 286 A HN 0.451 nan 8.150 nan 0.000 0.451 287 A N -1.259 121.504 122.820 -0.094 0.000 2.084 287 A HA -0.205 4.111 4.320 -0.007 0.000 0.221 287 A C 1.811 179.183 177.584 -0.353 0.000 1.161 287 A CA 1.611 53.488 52.037 -0.268 0.000 0.653 287 A CB -0.771 17.989 19.000 -0.400 0.000 0.802 287 A HN 0.743 nan 8.150 nan 0.000 0.457 288 H N -1.446 117.652 119.070 0.048 0.000 2.648 288 H HA 0.234 4.786 4.556 -0.008 0.000 0.265 288 H C 1.804 177.153 175.328 0.035 0.000 0.961 288 H CA 0.241 56.321 56.048 0.053 0.000 1.185 288 H CB -0.026 29.786 29.762 0.084 0.000 1.449 288 H HN 0.401 nan 8.280 nan 0.000 0.523 289 L N 1.091 122.372 121.223 0.096 0.000 2.043 289 L HA -0.214 4.122 4.340 -0.007 0.000 0.212 289 L C 2.473 179.367 176.870 0.040 0.000 1.075 289 L CA 1.308 56.178 54.840 0.051 0.000 0.752 289 L CB -0.203 41.871 42.059 0.025 0.000 0.891 289 L HN 0.244 nan 8.230 nan 0.000 0.432 290 E N -0.253 119.965 120.200 0.030 0.000 2.026 290 E HA -0.252 4.093 4.350 -0.007 0.000 0.206 290 E C 2.018 178.641 176.600 0.038 0.000 1.028 290 E CA 2.227 58.642 56.400 0.025 0.000 0.845 290 E CB -0.873 28.835 29.700 0.013 0.000 0.772 290 E HN 0.457 nan 8.360 nan 0.000 0.462 291 T N 1.317 115.905 114.554 0.056 0.000 2.881 291 T HA -0.091 4.255 4.350 -0.007 0.000 0.270 291 T C 1.786 176.527 174.700 0.069 0.000 1.068 291 T CA 0.745 62.885 62.100 0.067 0.000 1.131 291 T CB -0.059 68.862 68.868 0.089 0.000 0.871 291 T HN -0.064 nan 8.240 nan 0.000 0.479 292 L N 0.593 121.859 121.223 0.071 0.000 2.354 292 L HA 0.219 4.555 4.340 -0.007 0.000 0.212 292 L C 0.990 177.872 176.870 0.020 0.000 1.091 292 L CA 0.874 55.747 54.840 0.054 0.000 0.828 292 L CB -0.598 41.498 42.059 0.062 0.000 0.973 292 L HN 0.114 nan 8.230 nan 0.000 0.461 293 T N -0.255 114.309 114.554 0.016 0.000 2.870 293 T HA 0.442 4.788 4.350 -0.007 0.000 0.300 293 T C 1.189 175.893 174.700 0.008 0.000 0.989 293 T CA 0.383 62.485 62.100 0.003 0.000 1.139 293 T CB 0.799 69.670 68.868 0.005 0.000 0.920 293 T HN 0.457 nan 8.240 nan 0.000 0.537 294 G N 2.327 111.128 108.800 0.002 0.000 2.213 294 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.236 294 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.236 294 G C 0.150 175.055 174.900 0.008 0.000 0.991 294 G CA -0.482 44.620 45.100 0.004 0.000 0.629 294 G HN 0.586 nan 8.290 nan 0.000 0.517 295 K N 1.762 122.170 120.400 0.012 0.000 2.298 295 K HA 0.503 4.818 4.320 -0.007 0.000 0.280 295 K C 0.698 177.309 176.600 0.019 0.000 1.032 295 K CA 0.399 56.700 56.287 0.024 0.000 0.958 295 K CB 1.400 33.923 32.500 0.038 0.000 0.978 295 K HN 0.664 nan 8.250 nan 0.000 0.472 296 S N 2.254 117.974 115.700 0.033 0.000 2.499 296 S HA 0.439 4.905 4.470 -0.007 0.000 0.279 296 S C -0.227 174.413 174.600 0.066 0.000 1.219 296 S CA -0.972 57.250 58.200 0.037 0.000 1.062 296 S CB 0.831 64.055 63.200 0.040 0.000 0.978 296 S HN 0.444 nan 8.310 nan 0.000 0.489 297 L N 3.577 124.833 121.223 0.056 0.000 2.322 297 L HA 0.759 5.095 4.340 -0.007 0.000 0.281 297 L C -1.377 175.574 176.870 0.135 0.000 1.014 297 L CA -0.859 54.028 54.840 0.078 0.000 0.815 297 L CB 1.271 43.321 42.059 -0.016 0.000 1.247 297 L HN 0.809 nan 8.230 nan 0.000 0.421 298 F N 5.902 125.881 119.950 0.050 0.000 2.507 298 F HA 0.714 5.236 4.527 -0.008 0.000 0.325 298 F C -0.886 174.960 175.800 0.077 0.000 1.116 298 F CA -0.657 57.372 58.000 0.048 0.000 0.930 298 F CB 1.668 40.741 39.000 0.121 0.000 1.146 298 F HN 0.416 nan 8.300 nan 0.000 0.447 299 M N 7.346 126.777 119.600 -0.282 0.000 2.142 299 M HA 0.335 4.811 4.480 -0.007 0.000 0.299 299 M C -1.151 175.052 176.300 -0.161 0.000 0.960 299 M CA -0.495 54.777 55.300 -0.046 0.000 0.920 299 M CB 1.566 34.135 32.600 -0.052 0.000 1.541 299 M HN 0.418 nan 8.290 nan 0.000 0.429 300 F N 3.888 123.866 119.950 0.046 0.000 2.485 300 F HA 0.273 4.796 4.527 -0.006 0.000 0.327 300 F C -1.580 174.242 175.800 0.037 0.000 1.203 300 F CA -1.120 56.920 58.000 0.068 0.000 1.295 300 F CB 0.255 39.337 39.000 0.138 0.000 1.191 300 F HN 0.304 nan 8.300 nan 0.000 0.588 301 P HA 0.141 nan 4.420 nan 0.000 0.281 301 P C -0.978 176.449 177.300 0.212 0.000 1.252 301 P CA -0.035 63.168 63.100 0.171 0.000 0.778 301 P CB 1.640 33.424 31.700 0.141 0.000 0.895 302 D N 1.333 121.862 120.400 0.215 0.000 2.259 302 D HA -0.036 4.600 4.640 -0.007 0.000 0.301 302 D C 1.107 177.650 176.300 0.406 0.000 1.149 302 D CA 0.438 54.612 54.000 0.290 0.000 1.012 302 D CB 0.079 41.034 40.800 0.257 0.000 1.797 302 D HN 0.463 nan 8.370 nan 0.000 0.513 303 S N -0.372 115.498 115.700 0.283 0.000 2.632 303 S HA 0.124 4.589 4.470 -0.007 0.000 0.237 303 S C 0.897 175.565 174.600 0.114 0.000 1.037 303 S CA -0.086 58.217 58.200 0.171 0.000 1.009 303 S CB 1.390 64.657 63.200 0.111 0.000 0.974 303 S HN 0.133 nan 8.310 nan 0.000 0.544 304 Q N -0.349 119.533 119.800 0.137 0.000 2.324 304 Q HA -0.170 4.166 4.340 -0.007 0.000 0.200 304 Q C 0.700 176.719 176.000 0.032 0.000 0.645 304 Q CA 1.351 57.228 55.803 0.123 0.000 1.377 304 Q CB -2.024 26.847 28.738 0.222 0.000 1.486 304 Q HN 0.583 nan 8.270 nan 0.000 0.796 305 L N 1.061 122.285 121.223 0.002 0.000 2.558 305 L HA -0.055 4.281 4.340 -0.007 0.000 0.225 305 L C 2.368 179.126 176.870 -0.187 0.000 1.128 305 L CA 0.695 55.453 54.840 -0.136 0.000 0.868 305 L CB -0.225 41.744 42.059 -0.150 0.000 1.006 305 L HN 0.261 nan 8.230 nan 0.000 0.454 306 E N 0.818 120.964 120.200 -0.089 0.000 2.106 306 E HA -0.208 4.137 4.350 -0.007 0.000 0.192 306 E C 2.069 178.603 176.600 -0.110 0.000 0.984 306 E CA 1.253 57.599 56.400 -0.090 0.000 0.806 306 E CB -0.357 29.319 29.700 -0.041 0.000 0.750 306 E HN 0.499 nan 8.360 nan 0.000 0.458 307 I N 1.784 122.305 120.570 -0.083 0.000 2.113 307 I HA -0.188 3.978 4.170 -0.007 0.000 0.238 307 I C -0.516 175.570 176.117 -0.052 0.000 1.070 307 I CA 1.382 62.650 61.300 -0.053 0.000 1.332 307 I CB -1.080 36.914 38.000 -0.010 0.000 1.044 307 I HN 0.104 nan 8.210 nan 0.000 0.402 308 P HA -0.083 nan 4.420 nan 0.000 0.221 308 P C 1.851 179.065 177.300 -0.143 0.000 1.150 308 P CA 1.210 64.309 63.100 -0.002 0.000 0.800 308 P CB 0.054 31.836 31.700 0.136 0.000 0.787 309 L N -0.838 120.178 121.223 -0.345 0.000 2.072 309 L HA -0.093 4.243 4.340 -0.007 0.000 0.205 309 L C 2.436 179.222 176.870 -0.141 0.000 1.079 309 L CA 1.461 56.104 54.840 -0.328 0.000 0.752 309 L CB -1.048 40.781 42.059 -0.383 0.000 0.906 309 L HN -0.036 nan 8.230 nan 0.000 0.436 310 A N -0.262 122.470 122.820 -0.147 0.000 1.972 310 A HA -0.217 4.098 4.320 -0.007 0.000 0.219 310 A C 2.424 179.969 177.584 -0.064 0.000 1.169 310 A CA 1.273 53.234 52.037 -0.127 0.000 0.635 310 A CB -0.513 18.421 19.000 -0.111 0.000 0.810 310 A HN 0.250 nan 8.150 nan 0.000 0.446 311 R N -0.867 119.628 120.500 -0.009 0.000 2.092 311 R HA -0.138 4.197 4.340 -0.007 0.000 0.231 311 R C 1.871 178.209 176.300 0.063 0.000 1.119 311 R CA 1.929 58.054 56.100 0.042 0.000 0.970 311 R CB -0.691 29.655 30.300 0.076 0.000 0.864 311 R HN 0.591 nan 8.270 nan 0.000 0.440 312 F N 0.744 120.658 119.950 -0.060 0.000 2.206 312 F HA -0.022 4.501 4.527 -0.007 0.000 0.298 312 F C 1.828 177.581 175.800 -0.077 0.000 1.090 312 F CA 0.923 58.898 58.000 -0.042 0.000 1.323 312 F CB -0.203 38.787 39.000 -0.016 0.000 1.028 312 F HN -0.066 nan 8.300 nan 0.000 0.492 313 L N 0.144 121.153 121.223 -0.356 0.000 2.109 313 L HA -0.075 4.261 4.340 -0.007 0.000 0.207 313 L C 2.811 179.471 176.870 -0.350 0.000 1.086 313 L CA 1.091 55.623 54.840 -0.513 0.000 0.760 313 L CB -1.003 40.818 42.059 -0.396 0.000 0.910 313 L HN 0.289 nan 8.230 nan 0.000 0.437 314 A N -0.095 122.609 122.820 -0.193 0.000 1.898 314 A HA -0.122 4.194 4.320 -0.007 0.000 0.214 314 A C 2.369 179.930 177.584 -0.039 0.000 1.183 314 A CA 1.047 53.039 52.037 -0.076 0.000 0.622 314 A CB -0.281 18.722 19.000 0.006 0.000 0.824 314 A HN 0.264 nan 8.150 nan 0.000 0.444 315 R N -0.467 119.985 120.500 -0.079 0.000 2.062 315 R HA 0.004 4.340 4.340 -0.007 0.000 0.226 315 R C 1.593 177.799 176.300 -0.157 0.000 1.125 315 R CA 1.446 57.484 56.100 -0.103 0.000 0.966 315 R CB -0.119 30.105 30.300 -0.126 0.000 0.861 315 R HN 0.591 nan 8.270 nan 0.000 0.433 316 E N -1.083 118.956 120.200 -0.268 0.000 2.476 316 E HA 0.037 4.382 4.350 -0.007 0.000 0.199 316 E C 0.982 177.403 176.600 -0.298 0.000 1.021 316 E CA 0.096 56.339 56.400 -0.261 0.000 0.907 316 E CB 0.730 30.276 29.700 -0.257 0.000 0.974 316 E HN 0.309 nan 8.360 nan 0.000 0.489 317 C N -0.493 118.594 119.300 -0.355 0.000 3.545 317 C HA 0.341 4.797 4.460 -0.007 0.000 0.368 317 C C 1.422 176.337 174.990 -0.126 0.000 1.400 317 C CA 0.063 58.935 59.018 -0.243 0.000 1.848 317 C CB 0.196 27.736 27.740 -0.334 0.000 2.576 317 C HN 0.548 nan 8.230 nan 0.000 0.683 318 G N 1.993 110.727 108.800 -0.109 0.000 2.256 318 G HA2 -0.232 3.724 3.960 -0.007 0.000 0.272 318 G HA3 -0.232 3.724 3.960 -0.007 0.000 0.272 318 G C -0.200 174.677 174.900 -0.038 0.000 1.076 318 G CA 0.148 45.225 45.100 -0.038 0.000 0.882 318 G HN 0.492 nan 8.290 nan 0.000 0.497 319 M N -0.543 119.016 119.600 -0.067 0.000 2.368 319 M HA 0.461 4.936 4.480 -0.007 0.000 0.311 319 M C 0.392 176.670 176.300 -0.038 0.000 1.168 319 M CA -0.333 54.934 55.300 -0.055 0.000 1.044 319 M CB 0.990 33.536 32.600 -0.091 0.000 1.506 319 M HN -0.123 nan 8.290 nan 0.000 0.475 320 K N 2.248 122.631 120.400 -0.028 0.000 2.293 320 K HA 0.290 4.605 4.320 -0.007 0.000 0.267 320 K C -0.587 175.997 176.600 -0.027 0.000 1.010 320 K CA -0.296 55.973 56.287 -0.029 0.000 0.875 320 K CB 1.165 33.651 32.500 -0.023 0.000 1.106 320 K HN 0.768 nan 8.250 nan 0.000 0.450 321 T N 0.250 114.780 114.554 -0.041 0.000 2.761 321 T HA 0.188 4.534 4.350 -0.007 0.000 0.296 321 T C 0.906 175.584 174.700 -0.037 0.000 0.934 321 T CA -0.234 61.838 62.100 -0.047 0.000 1.091 321 T CB 0.750 69.581 68.868 -0.062 0.000 0.896 321 T HN 0.343 nan 8.240 nan 0.000 0.515 322 T N 2.328 116.873 114.554 -0.016 0.000 3.440 322 T HA 0.187 4.533 4.350 -0.007 0.000 0.209 322 T C 0.302 174.963 174.700 -0.065 0.000 0.906 322 T CA 0.028 62.136 62.100 0.013 0.000 1.757 322 T CB -0.084 68.865 68.868 0.136 0.000 1.568 322 T HN 0.749 nan 8.240 nan 0.000 0.454 323 E N 0.801 120.896 120.200 -0.176 0.000 2.129 323 E HA 0.400 4.746 4.350 -0.007 0.000 0.268 323 E C -1.625 174.582 176.600 -0.655 0.000 0.900 323 E CA -0.434 55.706 56.400 -0.434 0.000 0.755 323 E CB 0.733 30.137 29.700 -0.493 0.000 1.117 323 E HN 0.132 nan 8.360 nan 0.000 0.410 324 I N 3.185 123.525 120.570 -0.383 0.000 2.336 324 I HA 0.362 4.528 4.170 -0.007 0.000 0.292 324 I C -0.259 175.695 176.117 -0.271 0.000 0.991 324 I CA -0.397 60.719 61.300 -0.306 0.000 1.227 324 I CB 1.482 39.376 38.000 -0.176 0.000 1.366 324 I HN 0.474 nan 8.210 nan 0.000 0.466 325 A N 4.268 126.937 122.820 -0.252 0.000 2.356 325 A HA 0.808 5.124 4.320 -0.007 0.000 0.310 325 A C -0.391 177.162 177.584 -0.051 0.000 1.075 325 A CA -0.533 51.405 52.037 -0.164 0.000 0.746 325 A CB 1.490 20.361 19.000 -0.215 0.000 1.221 325 A HN 0.561 nan 8.150 nan 0.000 0.443 326 T N 2.649 117.194 114.554 -0.015 0.000 2.893 326 T HA 0.654 5.000 4.350 -0.007 0.000 0.291 326 T C -2.044 172.708 174.700 0.087 0.000 1.028 326 T CA -1.925 60.199 62.100 0.039 0.000 0.995 326 T CB 1.741 70.620 68.868 0.017 0.000 1.051 326 T HN 0.354 nan 8.240 nan 0.000 0.470 327 P HA 0.135 nan 4.420 nan 0.000 0.222 327 P C -0.104 177.356 177.300 0.267 0.000 1.153 327 P CA 0.572 63.785 63.100 0.188 0.000 0.798 327 P CB 0.141 31.966 31.700 0.209 0.000 0.796 328 F N -0.246 119.757 119.950 0.090 0.000 2.631 328 F HA 0.562 5.085 4.527 -0.008 0.000 0.308 328 F C -1.901 173.958 175.800 0.098 0.000 1.097 328 F CA -1.580 56.474 58.000 0.091 0.000 0.952 328 F CB 1.601 40.666 39.000 0.108 0.000 1.307 328 F HN -0.351 nan 8.300 nan 0.000 0.450 329 L N 5.880 126.508 121.223 -0.992 0.000 2.462 329 L HA 0.323 4.659 4.340 -0.007 0.000 0.255 329 L C -1.302 175.121 176.870 -0.744 0.000 1.076 329 L CA -0.340 54.130 54.840 -0.616 0.000 0.920 329 L CB -0.057 41.831 42.059 -0.286 0.000 1.214 329 L HN 0.718 nan 8.230 nan 0.000 0.472 330 H N 4.389 123.061 119.070 -0.664 0.000 3.160 330 H HA 0.114 4.666 4.556 -0.007 0.000 0.257 330 H C 0.699 175.966 175.328 -0.101 0.000 1.140 330 H CA 0.397 56.289 56.048 -0.259 0.000 1.492 330 H CB 0.944 30.756 29.762 0.083 0.000 1.529 330 H HN 0.563 nan 8.280 nan 0.000 0.490 331 K N 3.678 124.025 120.400 -0.090 0.000 2.032 331 K HA -0.137 4.178 4.320 -0.007 0.000 0.209 331 K C 1.972 178.634 176.600 0.104 0.000 1.048 331 K CA 1.333 57.612 56.287 -0.013 0.000 0.927 331 K CB -0.125 32.336 32.500 -0.064 0.000 0.712 331 K HN 0.604 nan 8.250 nan 0.000 0.441 332 A N 1.398 124.335 122.820 0.194 0.000 1.898 332 A HA -0.105 4.210 4.320 -0.007 0.000 0.216 332 A C 2.254 179.962 177.584 0.206 0.000 1.181 332 A CA 1.157 53.316 52.037 0.205 0.000 0.620 332 A CB -0.514 18.631 19.000 0.241 0.000 0.819 332 A HN 0.173 nan 8.150 nan 0.000 0.442 333 I N -1.469 119.293 120.570 0.320 0.000 2.202 333 I HA -0.218 3.948 4.170 -0.007 0.000 0.242 333 I C 2.213 178.433 176.117 0.171 0.000 1.091 333 I CA 1.275 62.644 61.300 0.115 0.000 1.368 333 I CB -0.198 37.769 38.000 -0.056 0.000 1.058 333 I HN 0.209 nan 8.210 nan 0.000 0.410 334 M N 0.572 120.297 119.600 0.207 0.000 2.686 334 M HA 0.009 4.484 4.480 -0.007 0.000 0.246 334 M C 1.981 178.349 176.300 0.114 0.000 1.096 334 M CA 0.576 55.990 55.300 0.190 0.000 1.076 334 M CB -0.848 31.831 32.600 0.132 0.000 1.504 334 M HN 0.240 nan 8.290 nan 0.000 0.524 335 A N 0.700 123.566 122.820 0.076 0.000 1.865 335 A HA -0.099 4.216 4.320 -0.007 0.000 0.217 335 A C -0.224 177.373 177.584 0.021 0.000 1.191 335 A CA 1.502 53.561 52.037 0.037 0.000 0.623 335 A CB -2.012 17.001 19.000 0.022 0.000 0.826 335 A HN 0.353 nan 8.150 nan 0.000 0.444 336 P HA -0.138 nan 4.420 nan 0.000 0.215 336 P C 0.312 177.625 177.300 0.023 0.000 1.157 336 P CA 1.745 64.836 63.100 -0.015 0.000 0.874 336 P CB -0.215 31.444 31.700 -0.069 0.000 0.790 337 D N -1.121 119.316 120.400 0.062 0.000 2.149 337 D HA -0.076 4.560 4.640 -0.007 0.000 0.201 337 D C 1.899 178.243 176.300 0.073 0.000 0.972 337 D CA 0.709 54.766 54.000 0.095 0.000 0.835 337 D CB -0.707 40.196 40.800 0.172 0.000 0.966 337 D HN 0.075 nan 8.370 nan 0.000 0.476 338 L N 0.583 121.843 121.223 0.062 0.000 2.127 338 L HA -0.175 4.161 4.340 -0.007 0.000 0.211 338 L C 2.390 179.284 176.870 0.041 0.000 1.089 338 L CA 0.882 55.748 54.840 0.042 0.000 0.757 338 L CB -0.367 41.710 42.059 0.030 0.000 0.899 338 L HN 0.064 nan 8.230 nan 0.000 0.434 339 A N 0.006 122.848 122.820 0.037 0.000 1.940 339 A HA -0.158 4.157 4.320 -0.007 0.000 0.219 339 A C 2.066 179.685 177.584 0.058 0.000 1.176 339 A CA 1.527 53.586 52.037 0.036 0.000 0.631 339 A CB -0.530 18.482 19.000 0.019 0.000 0.814 339 A HN 0.467 nan 8.150 nan 0.000 0.446 340 L N -1.166 120.093 121.223 0.061 0.000 2.585 340 L HA 0.299 4.634 4.340 -0.007 0.000 0.226 340 L C 0.725 177.676 176.870 0.136 0.000 1.113 340 L CA -0.327 54.556 54.840 0.072 0.000 0.876 340 L CB -0.229 41.848 42.059 0.030 0.000 1.072 340 L HN 0.252 nan 8.230 nan 0.000 0.468 341 L N 2.256 123.546 121.223 0.111 0.000 2.380 341 L HA 0.262 4.598 4.340 -0.007 0.000 0.273 341 L C -1.947 174.995 176.870 0.120 0.000 1.138 341 L CA -1.701 53.202 54.840 0.104 0.000 0.832 341 L CB 1.157 43.243 42.059 0.046 0.000 1.124 341 L HN -0.206 nan 8.230 nan 0.000 0.454 342 P HA -0.045 nan 4.420 nan 0.000 0.264 342 P C 0.224 177.485 177.300 -0.065 0.000 1.179 342 P CA 0.143 63.213 63.100 -0.049 0.000 0.763 342 P CB 0.592 32.230 31.700 -0.102 0.000 0.806 343 S N 2.052 117.688 115.700 -0.106 0.000 2.383 343 S HA -0.156 4.310 4.470 -0.007 0.000 0.227 343 S C 1.285 175.843 174.600 -0.069 0.000 1.026 343 S CA 0.981 59.139 58.200 -0.070 0.000 0.981 343 S CB -0.992 62.164 63.200 -0.073 0.000 0.818 343 S HN 0.615 nan 8.310 nan 0.000 0.472 344 N N 2.025 120.672 118.700 -0.089 0.000 2.617 344 N HA -0.043 4.693 4.740 -0.007 0.000 0.198 344 N C -0.732 174.742 175.510 -0.060 0.000 1.317 344 N CA 0.422 53.428 53.050 -0.072 0.000 0.892 344 N CB -0.713 37.724 38.487 -0.082 0.000 1.041 344 N HN 0.215 nan 8.380 nan 0.000 0.450 345 T N 0.812 115.331 114.554 -0.059 0.000 2.743 345 T HA 0.531 4.877 4.350 -0.007 0.000 0.292 345 T C -0.042 174.620 174.700 -0.064 0.000 0.972 345 T CA -0.626 61.437 62.100 -0.063 0.000 0.967 345 T CB 1.246 70.077 68.868 -0.061 0.000 0.926 345 T HN 0.356 nan 8.240 nan 0.000 0.459 346 A N 4.811 127.588 122.820 -0.072 0.000 2.409 346 A HA 0.590 4.906 4.320 -0.007 0.000 0.267 346 A C -0.028 177.496 177.584 -0.100 0.000 1.127 346 A CA -0.396 51.598 52.037 -0.073 0.000 0.795 346 A CB -0.112 18.850 19.000 -0.063 0.000 1.061 346 A HN 0.858 nan 8.150 nan 0.000 0.502 347 L N 2.338 123.512 121.223 -0.081 0.000 2.322 347 L HA 0.558 4.894 4.340 -0.007 0.000 0.279 347 L C -0.008 176.813 176.870 -0.082 0.000 1.036 347 L CA -0.328 54.459 54.840 -0.088 0.000 0.807 347 L CB 2.030 44.049 42.059 -0.066 0.000 1.226 347 L HN 0.653 nan 8.230 nan 0.000 0.433 348 T N 1.397 115.896 114.554 -0.092 0.000 2.881 348 T HA 0.218 4.564 4.350 -0.007 0.000 0.291 348 T C -0.681 173.994 174.700 -0.043 0.000 0.990 348 T CA -0.553 61.507 62.100 -0.067 0.000 0.976 348 T CB 1.677 70.493 68.868 -0.088 0.000 0.970 348 T HN 0.507 nan 8.240 nan 0.000 0.438 349 E N 2.332 122.520 120.200 -0.020 0.000 2.174 349 E HA 0.529 4.875 4.350 -0.007 0.000 0.282 349 E C 0.827 177.453 176.600 0.043 0.000 0.992 349 E CA 0.154 56.559 56.400 0.009 0.000 0.803 349 E CB 0.606 30.305 29.700 -0.003 0.000 1.090 349 E HN 0.945 nan 8.360 nan 0.000 0.396 350 G N 3.342 112.187 108.800 0.075 0.000 2.553 350 G HA2 -0.272 3.683 3.960 -0.007 0.000 0.242 350 G HA3 -0.272 3.683 3.960 -0.007 0.000 0.242 350 G C -0.744 174.198 174.900 0.069 0.000 1.277 350 G CA 0.182 45.334 45.100 0.086 0.000 0.910 350 G HN 0.815 nan 8.290 nan 0.000 0.576 351 Q N -1.220 118.622 119.800 0.070 0.000 2.617 351 Q HA 0.534 4.869 4.340 -0.007 0.000 0.270 351 Q C -2.232 173.809 176.000 0.068 0.000 0.967 351 Q CA -0.526 55.320 55.803 0.072 0.000 0.887 351 Q CB 1.747 30.549 28.738 0.107 0.000 1.516 351 Q HN 0.629 nan 8.270 nan 0.000 0.395 352 D N 2.903 123.343 120.400 0.066 0.000 2.458 352 D HA 0.159 4.795 4.640 -0.007 0.000 0.258 352 D C 0.561 176.910 176.300 0.082 0.000 1.134 352 D CA -0.615 53.422 54.000 0.062 0.000 0.915 352 D CB 1.291 42.120 40.800 0.048 0.000 1.028 352 D HN 0.623 nan 8.370 nan 0.000 0.508 353 L N 3.543 124.825 121.223 0.098 0.000 2.040 353 L HA -0.271 4.064 4.340 -0.007 0.000 0.228 353 L C 1.795 178.742 176.870 0.128 0.000 1.092 353 L CA 2.064 56.986 54.840 0.137 0.000 0.805 353 L CB -0.222 41.897 42.059 0.099 0.000 0.905 353 L HN 0.374 nan 8.230 nan 0.000 0.443 354 E N -0.321 119.929 120.200 0.084 0.000 2.058 354 E HA -0.227 4.119 4.350 -0.007 0.000 0.194 354 E C 2.200 178.843 176.600 0.072 0.000 0.997 354 E CA 1.428 57.870 56.400 0.071 0.000 0.801 354 E CB -0.697 29.032 29.700 0.048 0.000 0.746 354 E HN 0.685 nan 8.360 nan 0.000 0.450 355 A N 1.352 124.211 122.820 0.065 0.000 1.873 355 A HA -0.315 4.001 4.320 -0.007 0.000 0.218 355 A C 2.245 179.873 177.584 0.072 0.000 1.193 355 A CA 2.214 54.286 52.037 0.058 0.000 0.629 355 A CB -0.769 18.260 19.000 0.048 0.000 0.826 355 A HN 0.286 nan 8.150 nan 0.000 0.447 356 Q N -0.545 119.308 119.800 0.089 0.000 2.030 356 Q HA -0.136 4.200 4.340 -0.007 0.000 0.204 356 Q C 2.041 178.106 176.000 0.108 0.000 0.986 356 Q CA 1.760 57.622 55.803 0.098 0.000 0.843 356 Q CB -0.289 28.505 28.738 0.093 0.000 0.904 356 Q HN 0.668 nan 8.270 nan 0.000 0.420 357 L N 0.554 121.877 121.223 0.167 0.000 2.127 357 L HA -0.236 4.100 4.340 -0.007 0.000 0.211 357 L C 1.714 178.647 176.870 0.105 0.000 1.089 357 L CA 1.197 56.128 54.840 0.151 0.000 0.757 357 L CB -0.402 41.736 42.059 0.131 0.000 0.899 357 L HN 0.328 nan 8.230 nan 0.000 0.434 358 D N -0.585 119.864 120.400 0.081 0.000 2.194 358 D HA -0.079 4.557 4.640 -0.007 0.000 0.204 358 D C 2.331 178.657 176.300 0.043 0.000 0.964 358 D CA 0.654 54.689 54.000 0.059 0.000 0.846 358 D CB 0.085 40.914 40.800 0.049 0.000 0.962 358 D HN 0.164 nan 8.370 nan 0.000 0.490 359 R N -0.460 120.072 120.500 0.053 0.000 2.073 359 R HA -0.139 4.197 4.340 -0.007 0.000 0.234 359 R C 2.174 178.474 176.300 -0.000 0.000 1.134 359 R CA 1.369 57.501 56.100 0.053 0.000 0.952 359 R CB -0.521 29.845 30.300 0.110 0.000 0.850 359 R HN 0.410 nan 8.270 nan 0.000 0.433 360 H N 0.672 119.599 119.070 -0.237 0.000 2.428 360 H HA -0.045 4.507 4.556 -0.007 0.000 0.296 360 H C 2.071 177.202 175.328 -0.329 0.000 1.062 360 H CA 1.640 57.354 56.048 -0.556 0.000 1.350 360 H CB 0.110 29.190 29.762 -1.136 0.000 1.403 360 H HN 0.259 nan 8.280 nan 0.000 0.533 361 E N 0.464 120.600 120.200 -0.107 0.000 2.023 361 E HA -0.216 4.129 4.350 -0.007 0.000 0.196 361 E C 2.156 178.704 176.600 -0.087 0.000 1.003 361 E CA 1.236 57.607 56.400 -0.048 0.000 0.809 361 E CB -0.350 29.390 29.700 0.067 0.000 0.755 361 E HN 0.601 nan 8.360 nan 0.000 0.449 362 A N 0.233 123.018 122.820 -0.057 0.000 2.168 362 A HA -0.006 4.310 4.320 -0.007 0.000 0.215 362 A C 2.008 179.554 177.584 -0.065 0.000 1.152 362 A CA 0.464 52.476 52.037 -0.041 0.000 0.716 362 A CB -0.341 18.651 19.000 -0.014 0.000 0.794 362 A HN 0.341 nan 8.150 nan 0.000 0.465 363 I N -1.021 119.476 120.570 -0.121 0.000 2.277 363 I HA -0.151 4.015 4.170 -0.007 0.000 0.243 363 I C 0.779 176.810 176.117 -0.143 0.000 1.094 363 I CA 0.768 62.000 61.300 -0.114 0.000 1.393 363 I CB -0.155 37.791 38.000 -0.091 0.000 1.078 363 I HN 0.478 nan 8.210 nan 0.000 0.417 364 N N 1.005 119.545 118.700 -0.266 0.000 2.608 364 N HA -0.118 4.617 4.740 -0.007 0.000 0.273 364 N C -2.351 173.095 175.510 -0.106 0.000 1.133 364 N CA 0.013 52.961 53.050 -0.170 0.000 0.726 364 N CB -0.547 37.932 38.487 -0.014 0.000 0.890 364 N HN 0.177 nan 8.380 nan 0.000 0.548 365 P HA 0.258 nan 4.420 nan 0.000 0.278 365 P C 0.288 177.633 177.300 0.074 0.000 1.266 365 P CA -0.314 62.786 63.100 0.001 0.000 0.807 365 P CB 0.845 32.596 31.700 0.085 0.000 1.094 366 D N -0.509 119.946 120.400 0.091 0.000 2.084 366 D HA -0.030 4.606 4.640 -0.007 0.000 0.199 366 D C 0.605 176.991 176.300 0.143 0.000 0.981 366 D CA 1.432 55.494 54.000 0.103 0.000 0.841 366 D CB -0.212 40.635 40.800 0.079 0.000 0.997 366 D HN 0.160 nan 8.370 nan 0.000 0.454 367 L N 0.170 121.485 121.223 0.153 0.000 2.325 367 L HA 0.361 4.697 4.340 -0.007 0.000 0.278 367 L C -0.910 176.105 176.870 0.241 0.000 1.023 367 L CA -0.053 54.901 54.840 0.189 0.000 0.811 367 L CB 2.187 44.352 42.059 0.178 0.000 1.249 367 L HN -0.166 nan 8.230 nan 0.000 0.431 368 T N 3.486 118.201 114.554 0.269 0.000 2.965 368 T HA 0.459 4.805 4.350 -0.007 0.000 0.306 368 T C -0.808 174.080 174.700 0.314 0.000 0.991 368 T CA -0.472 61.833 62.100 0.342 0.000 1.001 368 T CB 1.221 70.284 68.868 0.325 0.000 0.984 368 T HN 0.283 nan 8.240 nan 0.000 0.446 369 V N 3.833 123.956 119.914 0.349 0.000 2.406 369 V HA 0.679 4.794 4.120 -0.007 0.000 0.272 369 V C 0.589 176.862 176.094 0.298 0.000 1.043 369 V CA -0.477 61.996 62.300 0.289 0.000 0.915 369 V CB 0.229 32.217 31.823 0.275 0.000 0.988 369 V HN 1.247 nan 8.190 nan 0.000 0.466 370 C N 2.663 122.080 119.300 0.195 0.000 3.295 370 C HA 0.876 5.332 4.460 -0.007 0.000 0.341 370 C C 0.461 175.513 174.990 0.103 0.000 1.418 370 C CA -0.440 58.634 59.018 0.094 0.000 1.240 370 C CB 1.097 28.745 27.740 -0.153 0.000 1.562 370 C HN 1.038 nan 8.230 nan 0.000 0.457 371 G N 0.212 109.037 108.800 0.041 0.000 2.606 371 G HA2 0.458 4.414 3.960 -0.007 0.000 0.252 371 G HA3 0.458 4.414 3.960 -0.007 0.000 0.252 371 G C 0.352 175.295 174.900 0.071 0.000 1.206 371 G CA -0.425 44.739 45.100 0.105 0.000 0.861 371 G HN 0.880 nan 8.290 nan 0.000 0.561 372 L N 1.623 122.911 121.223 0.107 0.000 2.275 372 L HA 0.074 4.410 4.340 -0.007 0.000 0.215 372 L C 2.788 179.627 176.870 -0.051 0.000 1.119 372 L CA 1.772 56.613 54.840 0.002 0.000 0.790 372 L CB -0.775 41.252 42.059 -0.053 0.000 0.919 372 L HN 0.667 nan 8.230 nan 0.000 0.443 373 G N -2.287 106.480 108.800 -0.055 0.000 2.813 373 G HA2 -0.029 3.927 3.960 -0.007 0.000 0.209 373 G HA3 -0.029 3.927 3.960 -0.007 0.000 0.209 373 G C 1.356 176.194 174.900 -0.103 0.000 1.150 373 G CA 0.056 45.105 45.100 -0.085 0.000 0.785 373 G HN 0.231 nan 8.290 nan 0.000 0.535 374 L N 0.262 121.409 121.223 -0.126 0.000 2.388 374 L HA 0.453 4.789 4.340 -0.007 0.000 0.209 374 L C 2.931 179.727 176.870 -0.123 0.000 1.061 374 L CA 1.008 55.741 54.840 -0.178 0.000 0.834 374 L CB -0.836 41.012 42.059 -0.352 0.000 1.029 374 L HN 0.177 nan 8.230 nan 0.000 0.473 375 A N 0.300 123.074 122.820 -0.076 0.000 1.859 375 A HA -0.298 4.018 4.320 -0.007 0.000 0.217 375 A C 2.114 179.690 177.584 -0.012 0.000 1.198 375 A CA 2.533 54.558 52.037 -0.020 0.000 0.629 375 A CB -0.981 18.038 19.000 0.032 0.000 0.830 375 A HN 0.553 nan 8.150 nan 0.000 0.446 376 N N -0.247 118.435 118.700 -0.031 0.000 2.058 376 N HA -0.101 4.635 4.740 -0.007 0.000 0.191 376 N C -1.034 174.471 175.510 -0.009 0.000 1.037 376 N CA 1.678 54.715 53.050 -0.022 0.000 0.848 376 N CB -0.753 37.711 38.487 -0.039 0.000 1.021 376 N HN 0.305 nan 8.380 nan 0.000 0.422 377 P HA -0.180 nan 4.420 nan 0.000 0.218 377 P C 1.052 178.366 177.300 0.023 0.000 1.152 377 P CA 1.092 64.186 63.100 -0.009 0.000 0.857 377 P CB 0.076 31.757 31.700 -0.031 0.000 0.787 378 L N -0.935 120.306 121.223 0.030 0.000 2.240 378 L HA -0.045 4.291 4.340 -0.007 0.000 0.211 378 L C 2.295 179.253 176.870 0.147 0.000 1.106 378 L CA 1.663 56.574 54.840 0.118 0.000 0.793 378 L CB -1.087 41.006 42.059 0.055 0.000 0.927 378 L HN -0.085 nan 8.230 nan 0.000 0.446 379 E N -0.527 119.720 120.200 0.079 0.000 2.107 379 E HA -0.044 4.301 4.350 -0.007 0.000 0.191 379 E C 2.206 178.824 176.600 0.031 0.000 0.982 379 E CA 1.086 57.524 56.400 0.064 0.000 0.809 379 E CB -0.082 29.645 29.700 0.045 0.000 0.756 379 E HN 0.412 nan 8.360 nan 0.000 0.459 380 A N 1.213 124.046 122.820 0.020 0.000 2.067 380 A HA -0.119 4.197 4.320 -0.007 0.000 0.219 380 A C 1.883 179.462 177.584 -0.009 0.000 1.158 380 A CA 1.053 53.092 52.037 0.004 0.000 0.661 380 A CB -0.062 18.939 19.000 0.002 0.000 0.801 380 A HN -0.075 nan 8.150 nan 0.000 0.452 381 K N -1.497 118.900 120.400 -0.005 0.000 2.426 381 K HA 0.158 4.473 4.320 -0.007 0.000 0.193 381 K C 1.228 177.715 176.600 -0.188 0.000 1.028 381 K CA 0.748 56.998 56.287 -0.062 0.000 1.047 381 K CB -0.006 32.496 32.500 0.005 0.000 0.821 381 K HN 0.745 nan 8.250 nan 0.000 0.513 382 G N 0.936 109.658 108.800 -0.130 0.000 2.179 382 G HA2 -0.229 3.727 3.960 -0.007 0.000 0.220 382 G HA3 -0.229 3.727 3.960 -0.007 0.000 0.220 382 G C -0.322 174.498 174.900 -0.133 0.000 0.990 382 G CA -0.110 44.906 45.100 -0.140 0.000 0.646 382 G HN 0.494 nan 8.290 nan 0.000 0.517 383 H N 1.125 120.231 119.070 0.060 0.000 2.610 383 H HA 0.615 5.166 4.556 -0.008 0.000 0.336 383 H C 0.820 176.202 175.328 0.091 0.000 1.087 383 H CA 0.216 56.316 56.048 0.087 0.000 1.405 383 H CB 1.385 31.243 29.762 0.159 0.000 1.460 383 H HN 0.559 nan 8.280 nan 0.000 0.538 384 A N 2.757 125.708 122.820 0.218 0.000 2.340 384 A HA 0.450 4.766 4.320 -0.007 0.000 0.268 384 A C 0.350 178.049 177.584 0.192 0.000 1.100 384 A CA -0.249 51.889 52.037 0.169 0.000 0.803 384 A CB 0.152 19.236 19.000 0.140 0.000 1.043 384 A HN 0.806 nan 8.150 nan 0.000 0.488 385 T N -0.395 114.260 114.554 0.167 0.000 2.907 385 T HA 0.699 5.044 4.350 -0.007 0.000 0.292 385 T C -0.789 174.019 174.700 0.181 0.000 1.043 385 T CA -0.887 61.318 62.100 0.174 0.000 1.003 385 T CB 1.749 70.703 68.868 0.144 0.000 1.084 385 T HN 0.519 nan 8.240 nan 0.000 0.483 386 K N 2.999 123.512 120.400 0.188 0.000 2.664 386 K HA 0.175 4.491 4.320 -0.007 0.000 0.234 386 K C -0.435 176.236 176.600 0.118 0.000 0.980 386 K CA -0.778 55.585 56.287 0.126 0.000 0.996 386 K CB 0.642 33.192 32.500 0.084 0.000 1.190 386 K HN 0.866 nan 8.250 nan 0.000 0.479 387 W N 3.353 124.648 121.300 -0.007 0.000 2.223 387 W HA 0.200 4.857 4.660 -0.005 0.000 0.334 387 W C 0.195 176.703 176.519 -0.018 0.000 1.334 387 W CA 0.023 57.365 57.345 -0.006 0.000 1.246 387 W CB -0.200 29.255 29.460 -0.009 0.000 1.184 387 W HN 0.505 nan 8.180 nan 0.000 0.563 388 A N 3.883 126.733 122.820 0.051 0.000 1.975 388 A HA -0.039 4.276 4.320 -0.007 0.000 0.215 388 A C 1.931 179.402 177.584 -0.189 0.000 1.170 388 A CA 0.990 52.978 52.037 -0.081 0.000 0.656 388 A CB -0.402 18.640 19.000 0.071 0.000 0.821 388 A HN 0.607 nan 8.150 nan 0.000 0.449 389 I N 0.326 120.863 120.570 -0.055 0.000 2.145 389 I HA -0.334 3.831 4.170 -0.007 0.000 0.244 389 I C 2.234 178.233 176.117 -0.198 0.000 1.075 389 I CA 1.942 63.252 61.300 0.016 0.000 1.332 389 I CB -0.574 37.579 38.000 0.255 0.000 1.033 389 I HN 0.488 nan 8.210 nan 0.000 0.410 390 E N 0.755 120.464 120.200 -0.819 0.000 2.200 390 E HA -0.287 4.059 4.350 -0.007 0.000 0.211 390 E C 2.118 178.219 176.600 -0.832 0.000 1.048 390 E CA 1.693 57.482 56.400 -1.017 0.000 0.851 390 E CB -0.261 28.583 29.700 -1.427 0.000 0.747 390 E HN 0.510 nan 8.360 nan 0.000 0.462 391 L N -0.194 120.684 121.223 -0.575 0.000 2.465 391 L HA -0.102 4.234 4.340 -0.007 0.000 0.224 391 L C 2.151 178.820 176.870 -0.335 0.000 1.145 391 L CA -0.015 54.566 54.840 -0.432 0.000 0.834 391 L CB -0.002 41.871 42.059 -0.311 0.000 0.944 391 L HN 0.076 nan 8.230 nan 0.000 0.451 392 V N 0.021 119.758 119.914 -0.295 0.000 2.273 392 V HA -0.251 3.865 4.120 -0.007 0.000 0.242 392 V C 2.152 178.043 176.094 -0.338 0.000 1.035 392 V CA 2.026 64.107 62.300 -0.366 0.000 1.013 392 V CB -0.420 31.060 31.823 -0.570 0.000 0.652 392 V HN 0.513 nan 8.190 nan 0.000 0.452 393 F N 0.981 120.765 119.950 -0.277 0.000 2.335 393 F HA 0.146 4.668 4.527 -0.008 0.000 0.296 393 F C 1.180 176.897 175.800 -0.139 0.000 1.091 393 F CA 0.212 58.095 58.000 -0.194 0.000 1.399 393 F CB -1.632 37.320 39.000 -0.080 0.000 1.067 393 F HN -0.021 nan 8.300 nan 0.000 0.520 394 T N 4.023 118.017 114.554 -0.933 0.000 2.940 394 T HA 0.171 4.516 4.350 -0.007 0.000 0.309 394 T C -2.439 172.086 174.700 -0.292 0.000 1.056 394 T CA -0.689 61.057 62.100 -0.590 0.000 1.137 394 T CB 0.451 68.917 68.868 -0.670 0.000 0.976 394 T HN -0.027 nan 8.240 nan 0.000 0.547 395 P HA 0.219 nan 4.420 nan 0.000 0.276 395 P C 0.466 177.671 177.300 -0.159 0.000 1.253 395 P CA -0.256 62.776 63.100 -0.114 0.000 0.766 395 P CB 0.520 32.183 31.700 -0.061 0.000 0.845 396 V N -0.164 119.630 119.914 -0.200 0.000 3.359 396 V HA 0.230 4.346 4.120 -0.007 0.000 0.270 396 V C 0.471 176.367 176.094 -0.331 0.000 1.583 396 V CA 0.141 62.288 62.300 -0.256 0.000 1.019 396 V CB -1.224 30.441 31.823 -0.262 0.000 0.831 396 V HN 0.327 nan 8.190 nan 0.000 0.426 397 H N 0.143 119.048 119.070 -0.275 0.000 2.603 397 H HA 0.612 5.164 4.556 -0.007 0.000 0.370 397 H C -0.214 174.968 175.328 -0.243 0.000 1.225 397 H CA 0.712 56.458 56.048 -0.504 0.000 1.410 397 H CB 0.190 29.665 29.762 -0.479 0.000 1.495 397 H HN 0.193 nan 8.280 nan 0.000 0.602 398 F N -2.085 117.634 119.950 -0.385 0.000 2.183 398 F HA -0.402 4.120 4.527 -0.008 0.000 0.318 398 F C 0.610 176.276 175.800 -0.223 0.000 0.132 398 F CA 0.420 58.186 58.000 -0.390 0.000 0.912 398 F CB -1.034 37.764 39.000 -0.336 0.000 4.135 398 F HN 0.520 nan 8.300 nan 0.000 0.137 399 Y N -0.233 120.158 120.300 0.151 0.000 2.092 399 Y HA -0.141 4.405 4.550 -0.008 0.000 0.282 399 Y C 2.257 178.181 175.900 0.040 0.000 1.126 399 Y CA 1.731 59.871 58.100 0.067 0.000 1.111 399 Y CB -0.702 37.801 38.460 0.071 0.000 0.987 399 Y HN 0.424 nan 8.280 nan 0.000 0.489 400 E N 0.125 120.450 120.200 0.208 0.000 2.187 400 E HA -0.223 4.123 4.350 -0.007 0.000 0.199 400 E C 1.747 178.387 176.600 0.066 0.000 1.004 400 E CA 1.374 57.837 56.400 0.105 0.000 0.813 400 E CB -0.349 29.389 29.700 0.063 0.000 0.736 400 E HN 0.537 nan 8.360 nan 0.000 0.468 401 Q N -0.731 119.096 119.800 0.044 0.000 2.360 401 Q HA 0.284 4.620 4.340 -0.007 0.000 0.202 401 Q C 1.671 177.655 176.000 -0.026 0.000 0.915 401 Q CA 0.614 56.411 55.803 -0.009 0.000 0.943 401 Q CB 0.185 28.894 28.738 -0.049 0.000 1.064 401 Q HN 0.254 nan 8.270 nan 0.000 0.511 402 A N 0.455 123.287 122.820 0.020 0.000 1.908 402 A HA -0.121 4.195 4.320 -0.007 0.000 0.218 402 A C 2.144 179.779 177.584 0.085 0.000 1.181 402 A CA 1.832 53.887 52.037 0.029 0.000 0.627 402 A CB -1.149 17.932 19.000 0.135 0.000 0.818 402 A HN 0.448 nan 8.150 nan 0.000 0.445 403 G N 0.244 109.114 108.800 0.116 0.000 2.453 403 G HA2 -0.252 3.704 3.960 -0.007 0.000 0.215 403 G HA3 -0.252 3.704 3.960 -0.007 0.000 0.215 403 G C 1.030 175.958 174.900 0.046 0.000 1.201 403 G CA 1.332 46.534 45.100 0.170 0.000 0.784 403 G HN 0.544 nan 8.290 nan 0.000 0.545 404 D N 0.371 120.782 120.400 0.018 0.000 2.133 404 D HA -0.151 4.485 4.640 -0.007 0.000 0.195 404 D C 2.207 178.434 176.300 -0.121 0.000 0.997 404 D CA 0.902 54.871 54.000 -0.051 0.000 0.840 404 D CB -0.363 40.406 40.800 -0.052 0.000 0.947 404 D HN 0.260 nan 8.370 nan 0.000 0.452 405 L N 1.026 122.183 121.223 -0.110 0.000 1.955 405 L HA -0.123 4.213 4.340 -0.007 0.000 0.213 405 L C 2.163 179.062 176.870 0.048 0.000 1.072 405 L CA 2.180 56.950 54.840 -0.117 0.000 0.755 405 L CB -1.175 40.735 42.059 -0.249 0.000 0.888 405 L HN 0.060 nan 8.230 nan 0.000 0.432 406 A N -0.445 122.463 122.820 0.148 0.000 1.948 406 A HA -0.151 4.165 4.320 -0.007 0.000 0.220 406 A C 2.339 179.778 177.584 -0.243 0.000 1.177 406 A CA 1.870 54.014 52.037 0.178 0.000 0.636 406 A CB -1.749 17.331 19.000 0.132 0.000 0.815 406 A HN 0.625 nan 8.150 nan 0.000 0.449 407 G N 0.043 108.518 108.800 -0.543 0.000 2.586 407 G HA2 -0.249 3.707 3.960 -0.007 0.000 0.218 407 G HA3 -0.249 3.707 3.960 -0.007 0.000 0.218 407 G C 1.300 176.078 174.900 -0.203 0.000 1.216 407 G CA 1.261 46.097 45.100 -0.439 0.000 0.786 407 G HN 0.360 nan 8.290 nan 0.000 0.583 408 L N -0.129 120.940 121.223 -0.257 0.000 2.211 408 L HA -0.079 4.257 4.340 -0.007 0.000 0.216 408 L C 2.473 179.032 176.870 -0.519 0.000 1.092 408 L CA 1.255 55.837 54.840 -0.431 0.000 0.767 408 L CB -1.024 40.647 42.059 -0.646 0.000 0.894 408 L HN 0.302 nan 8.230 nan 0.000 0.437 409 F N -1.934 117.977 119.950 -0.066 0.000 2.678 409 F HA 0.027 4.551 4.527 -0.005 0.000 0.291 409 F C 2.501 178.308 175.800 0.012 0.000 1.123 409 F CA 0.632 58.622 58.000 -0.016 0.000 1.395 409 F CB -0.673 38.332 39.000 0.009 0.000 1.121 409 F HN 0.092 nan 8.300 nan 0.000 0.592 410 S N 0.777 116.570 115.700 0.155 0.000 2.357 410 S HA -0.199 4.266 4.470 -0.007 0.000 0.221 410 S C 2.196 176.869 174.600 0.122 0.000 1.031 410 S CA 0.919 59.215 58.200 0.159 0.000 0.982 410 S CB -0.631 62.718 63.200 0.249 0.000 0.853 410 S HN 0.340 nan 8.310 nan 0.000 0.458 411 R N 2.325 122.874 120.500 0.082 0.000 2.112 411 R HA -0.083 4.253 4.340 -0.007 0.000 0.242 411 R C -0.623 175.719 176.300 0.070 0.000 1.137 411 R CA 2.213 58.354 56.100 0.068 0.000 0.944 411 R CB -1.413 28.908 30.300 0.035 0.000 0.857 411 R HN 0.431 nan 8.270 nan 0.000 0.435 412 P HA -0.179 nan 4.420 nan 0.000 0.215 412 P C 1.355 178.708 177.300 0.089 0.000 1.153 412 P CA 1.471 64.623 63.100 0.085 0.000 0.853 412 P CB -0.103 31.656 31.700 0.099 0.000 0.788 413 L N -0.876 120.406 121.223 0.098 0.000 2.027 413 L HA -0.099 4.236 4.340 -0.007 0.000 0.206 413 L C 3.023 179.938 176.870 0.075 0.000 1.074 413 L CA 1.378 56.272 54.840 0.090 0.000 0.745 413 L CB -0.769 41.348 42.059 0.098 0.000 0.898 413 L HN -0.174 nan 8.230 nan 0.000 0.433 414 R N 0.075 120.622 120.500 0.078 0.000 2.113 414 R HA -0.251 4.085 4.340 -0.007 0.000 0.244 414 R C 2.318 178.651 176.300 0.056 0.000 1.142 414 R CA 1.825 57.965 56.100 0.067 0.000 0.953 414 R CB -0.807 29.538 30.300 0.074 0.000 0.860 414 R HN 0.361 nan 8.270 nan 0.000 0.438 415 R N 0.837 121.372 120.500 0.059 0.000 2.120 415 R HA -0.099 4.236 4.340 -0.007 0.000 0.234 415 R C 2.433 178.761 176.300 0.047 0.000 1.123 415 R CA 1.331 57.462 56.100 0.051 0.000 0.975 415 R CB -0.096 30.236 30.300 0.054 0.000 0.866 415 R HN 0.125 nan 8.270 nan 0.000 0.446 416 R N -0.066 120.466 120.500 0.052 0.000 2.062 416 R HA -0.089 4.246 4.340 -0.007 0.000 0.231 416 R C 2.133 178.455 176.300 0.037 0.000 1.136 416 R CA 1.506 57.633 56.100 0.046 0.000 0.948 416 R CB -0.337 29.997 30.300 0.055 0.000 0.845 416 R HN 0.273 nan 8.270 nan 0.000 0.430 417 A N 1.389 124.232 122.820 0.039 0.000 1.849 417 A HA -0.233 4.083 4.320 -0.007 0.000 0.217 417 A C 2.049 179.649 177.584 0.027 0.000 1.202 417 A CA 1.642 53.698 52.037 0.031 0.000 0.629 417 A CB -1.028 17.991 19.000 0.033 0.000 0.834 417 A HN 0.388 nan 8.150 nan 0.000 0.447 418 L N -0.342 120.899 121.223 0.030 0.000 2.103 418 L HA -0.167 4.169 4.340 -0.007 0.000 0.215 418 L C 1.962 178.846 176.870 0.022 0.000 1.080 418 L CA 1.713 56.569 54.840 0.026 0.000 0.764 418 L CB -0.449 41.627 42.059 0.029 0.000 0.890 418 L HN 0.455 nan 8.230 nan 0.000 0.435 419 L N -0.327 120.910 121.223 0.024 0.000 2.645 419 L HA 0.026 4.362 4.340 -0.007 0.000 0.235 419 L C 0.131 177.010 176.870 0.016 0.000 1.150 419 L CA 0.617 55.469 54.840 0.020 0.000 0.911 419 L CB -0.775 41.297 42.059 0.021 0.000 1.077 419 L HN 0.634 nan 8.230 nan 0.000 0.438 420 N N -1.681 117.028 118.700 0.015 0.000 2.498 420 N HA 0.383 5.119 4.740 -0.007 0.000 0.272 420 N C 0.046 175.562 175.510 0.011 0.000 1.534 420 N CA 0.019 53.076 53.050 0.012 0.000 0.873 420 N CB 0.760 39.253 38.487 0.010 0.000 1.415 420 N HN 0.046 nan 8.380 nan 0.000 0.496 421 G N 0.000 108.808 108.800 0.013 0.000 5.446 421 G HA2 0.000 3.956 3.960 -0.007 0.000 0.244 421 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 421 G CA 0.000 45.107 45.100 0.012 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925