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 1e2l_1_A DATA FIRST_RESID 46 DATA SEQUENCE MPTLLRVYID GPHGMGKTTT TQLLXXXXXX XDIVYVPEPM TYWRVLGASE DATA SEQUENCE TIANIFTTQH RLDQGEISAG DAAVVMTSAQ ITMGMPYAVT DAVLAPHIGG DATA SEQUENCE EAGSXXXPPP ALTLIFDRHP IAALLCYPAA RYLMGSMTPQ AVLAFVALIP DATA SEQUENCE PTLPGTNIVL GALPEDRHID RLAKRQRPGE RLDLAMLAAI RRVYGLLANT DATA SEQUENCE VRYLQCGGSW REDWGQLSGX XXXXXXXXXX XXXXPRPHIG DTLFTLFRAP DATA SEQUENCE ELLAPNGDLY NVFAWALDVL AKRLRSMHVF ILDYDQSPAG CRDALLQLTS DATA SEQUENCE GMVQTHVTTP GSIPTICDLA RTFAREMGE 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 46 M HA 0.000 nan 4.480 nan 0.000 0.227 46 M C 0.000 176.401 176.300 0.169 0.000 1.140 46 M CA 0.000 55.351 55.300 0.084 0.000 0.988 46 M CB 0.000 32.642 32.600 0.071 0.000 1.302 47 P HA 0.257 nan 4.420 nan 0.000 0.270 47 P C -0.174 177.183 177.300 0.095 0.000 1.227 47 P CA 0.134 63.291 63.100 0.095 0.000 0.788 47 P CB 0.302 32.036 31.700 0.057 0.000 0.926 48 T N -1.036 113.520 114.554 0.004 0.000 2.895 48 T HA 0.666 5.017 4.350 0.001 0.000 0.283 48 T C -0.650 174.019 174.700 -0.052 0.000 1.014 48 T CA -0.774 61.267 62.100 -0.099 0.000 1.037 48 T CB 0.995 69.761 68.868 -0.170 0.000 1.006 48 T HN 0.260 nan 8.240 nan 0.000 0.468 49 L N 2.024 123.215 121.223 -0.054 0.000 2.370 49 L HA 0.801 5.141 4.340 0.001 0.000 0.266 49 L C -1.677 175.177 176.870 -0.026 0.000 1.002 49 L CA -1.181 53.644 54.840 -0.025 0.000 0.818 49 L CB 2.085 44.149 42.059 0.010 0.000 1.325 49 L HN 0.785 nan 8.230 nan 0.000 0.418 50 L N 4.470 125.678 121.223 -0.025 0.000 2.316 50 L HA 0.588 4.928 4.340 0.001 0.000 0.280 50 L C -0.883 175.987 176.870 -0.000 0.000 1.006 50 L CA -0.149 54.678 54.840 -0.021 0.000 0.836 50 L CB 0.904 42.935 42.059 -0.046 0.000 1.221 50 L HN 0.586 nan 8.230 nan 0.000 0.418 51 R N 4.486 125.017 120.500 0.051 0.000 2.294 51 R HA 0.722 5.063 4.340 0.001 0.000 0.319 51 R C -1.281 175.044 176.300 0.042 0.000 0.984 51 R CA -0.802 55.344 56.100 0.077 0.000 0.861 51 R CB 1.828 32.229 30.300 0.168 0.000 1.104 51 R HN 0.428 nan 8.270 nan 0.000 0.451 52 V N 4.400 124.306 119.914 -0.012 0.000 2.482 52 V HA 0.281 4.402 4.120 0.001 0.000 0.295 52 V C -1.175 174.936 176.094 0.028 0.000 1.026 52 V CA -0.960 61.358 62.300 0.030 0.000 0.856 52 V CB 1.203 33.031 31.823 0.008 0.000 1.001 52 V HN 0.624 nan 8.190 nan 0.000 0.424 53 Y N 4.656 125.072 120.300 0.193 0.000 2.353 53 Y HA 0.547 5.097 4.550 0.001 0.000 0.340 53 Y C 0.217 176.211 175.900 0.156 0.000 0.972 53 Y CA -1.039 57.160 58.100 0.164 0.000 1.157 53 Y CB 1.249 39.744 38.460 0.057 0.000 1.157 53 Y HN 0.389 nan 8.280 nan 0.000 0.495 54 I N 4.218 124.962 120.570 0.291 0.000 2.337 54 I HA 0.187 4.357 4.170 0.001 0.000 0.291 54 I C 0.219 176.465 176.117 0.215 0.000 1.046 54 I CA -0.103 61.340 61.300 0.239 0.000 1.324 54 I CB 0.348 38.487 38.000 0.233 0.000 1.409 54 I HN 0.763 nan 8.210 nan 0.000 0.494 55 D N 3.226 123.727 120.400 0.170 0.000 3.225 55 D HA 0.638 5.278 4.640 0.001 0.000 0.294 55 D C -0.128 176.127 176.300 -0.075 0.000 1.306 55 D CA 0.403 54.462 54.000 0.098 0.000 1.019 55 D CB 2.493 43.385 40.800 0.154 0.000 1.344 55 D HN 0.633 nan 8.370 nan 0.000 0.615 56 G N 0.297 108.837 108.800 -0.432 0.000 2.631 56 G HA2 -0.075 3.885 3.960 0.001 0.000 0.504 56 G HA3 -0.075 3.885 3.960 0.001 0.000 0.504 56 G C -2.916 171.400 174.900 -0.973 0.000 1.306 56 G CA -0.675 43.813 45.100 -1.020 0.000 0.897 56 G HN 0.385 nan 8.290 nan 0.000 0.520 57 P HA 0.249 nan 4.420 nan 0.000 0.272 57 P C 0.065 177.287 177.300 -0.130 0.000 1.223 57 P CA -0.090 62.866 63.100 -0.240 0.000 0.784 57 P CB 0.276 31.947 31.700 -0.049 0.000 0.923 58 H N 0.184 119.338 119.070 0.140 0.000 2.508 58 H HA 0.427 4.983 4.556 0.001 0.000 0.358 58 H C 1.039 176.442 175.328 0.124 0.000 1.212 58 H CA -0.341 55.772 56.048 0.108 0.000 1.356 58 H CB 0.174 30.060 29.762 0.206 0.000 1.525 58 H HN 0.754 nan 8.280 nan 0.000 0.578 59 G N 0.900 109.753 108.800 0.089 0.000 2.176 59 G HA2 -0.274 3.687 3.960 0.001 0.000 0.232 59 G HA3 -0.274 3.687 3.960 0.001 0.000 0.232 59 G C 0.877 175.639 174.900 -0.230 0.000 0.986 59 G CA 0.456 45.582 45.100 0.043 0.000 0.643 59 G HN 0.574 nan 8.290 nan 0.000 0.522 60 M N -0.215 119.087 119.600 -0.496 0.000 2.501 60 M HA 0.376 4.857 4.480 0.001 0.000 0.261 60 M C 1.997 177.948 176.300 -0.581 0.000 1.129 60 M CA 1.636 56.517 55.300 -0.699 0.000 1.126 60 M CB 0.506 32.483 32.600 -1.039 0.000 1.359 60 M HN 1.113 nan 8.290 nan 0.000 0.471 61 G N 0.285 108.813 108.800 -0.453 0.000 2.273 61 G HA2 -0.159 3.802 3.960 0.001 0.000 0.162 61 G HA3 -0.159 3.802 3.960 0.001 0.000 0.162 61 G C 0.765 175.631 174.900 -0.057 0.000 1.006 61 G CA -0.039 44.955 45.100 -0.177 0.000 0.704 61 G HN 0.294 nan 8.290 nan 0.000 0.487 62 K N 0.116 120.414 120.400 -0.171 0.000 2.127 62 K HA -0.196 4.125 4.320 0.001 0.000 0.212 62 K C 2.449 179.129 176.600 0.134 0.000 1.050 62 K CA 2.186 58.521 56.287 0.080 0.000 0.929 62 K CB -0.337 32.203 32.500 0.067 0.000 0.715 62 K HN 0.366 nan 8.250 nan 0.000 0.457 63 T N 0.334 114.951 114.554 0.105 0.000 2.777 63 T HA -0.093 4.258 4.350 0.001 0.000 0.266 63 T C 1.860 176.603 174.700 0.072 0.000 1.040 63 T CA 1.767 63.940 62.100 0.121 0.000 1.141 63 T CB -0.237 68.703 68.868 0.120 0.000 0.868 63 T HN 0.327 nan 8.240 nan 0.000 0.444 64 T N 1.330 115.920 114.554 0.060 0.000 2.951 64 T HA -0.049 4.302 4.350 0.001 0.000 0.268 64 T C 2.190 176.911 174.700 0.034 0.000 1.073 64 T CA 1.111 63.235 62.100 0.041 0.000 1.134 64 T CB -0.414 68.483 68.868 0.047 0.000 0.884 64 T HN 0.337 nan 8.240 nan 0.000 0.479 65 T N 2.204 116.806 114.554 0.080 0.000 2.812 65 T HA -0.089 4.262 4.350 0.001 0.000 0.264 65 T C 2.528 177.221 174.700 -0.012 0.000 1.042 65 T CA 1.753 63.898 62.100 0.074 0.000 1.140 65 T CB -0.466 68.528 68.868 0.209 0.000 0.870 65 T HN 0.674 nan 8.240 nan 0.000 0.445 66 T N 0.387 114.915 114.554 -0.044 0.000 2.937 66 T HA 0.028 4.378 4.350 0.001 0.000 0.260 66 T C 1.951 176.423 174.700 -0.381 0.000 1.051 66 T CA 0.558 62.527 62.100 -0.219 0.000 1.141 66 T CB -0.309 68.405 68.868 -0.256 0.000 0.879 66 T HN 0.306 nan 8.240 nan 0.000 0.459 67 Q N 0.961 120.611 119.800 -0.250 0.000 2.030 67 Q HA 0.007 4.347 4.340 0.001 0.000 0.204 67 Q C 2.427 178.332 176.000 -0.157 0.000 0.986 67 Q CA 1.706 57.384 55.803 -0.208 0.000 0.843 67 Q CB -0.550 28.140 28.738 -0.080 0.000 0.904 67 Q HN 0.508 nan 8.270 nan 0.000 0.420 68 L N 0.208 121.369 121.223 -0.102 0.000 2.127 68 L HA -0.121 4.220 4.340 0.001 0.000 0.211 68 L C 1.348 178.162 176.870 -0.093 0.000 1.089 68 L CA 0.114 54.908 54.840 -0.076 0.000 0.757 68 L CB -0.582 41.449 42.059 -0.048 0.000 0.899 68 L HN 0.234 nan 8.230 nan 0.000 0.434 78 I N 0.988 121.528 120.570 -0.049 0.000 2.599 78 I HA 0.451 4.622 4.170 0.001 0.000 0.285 78 I C -1.824 174.260 176.117 -0.055 0.000 1.168 78 I CA -0.584 60.681 61.300 -0.058 0.000 1.060 78 I CB 1.643 39.608 38.000 -0.057 0.000 1.249 78 I HN -0.179 nan 8.210 nan 0.000 0.442 79 V N 6.813 126.683 119.914 -0.073 0.000 2.881 79 V HA 0.485 4.605 4.120 0.001 0.000 0.316 79 V C -1.119 174.951 176.094 -0.040 0.000 1.070 79 V CA -0.715 61.548 62.300 -0.061 0.000 0.976 79 V CB 2.028 33.792 31.823 -0.098 0.000 1.038 79 V HN 0.602 nan 8.190 nan 0.000 0.446 80 Y N 1.570 121.763 120.300 -0.178 0.000 2.393 80 Y HA 0.686 5.237 4.550 0.001 0.000 0.341 80 Y C -0.461 175.305 175.900 -0.223 0.000 0.988 80 Y CA -1.295 56.692 58.100 -0.188 0.000 1.078 80 Y CB 2.014 40.416 38.460 -0.097 0.000 1.203 80 Y HN 0.319 nan 8.280 nan 0.000 0.453 81 V N 9.122 128.612 119.914 -0.707 0.000 2.284 81 V HA 0.351 4.471 4.120 0.001 0.000 0.274 81 V C -2.180 173.362 176.094 -0.919 0.000 1.023 81 V CA -1.633 60.190 62.300 -0.795 0.000 0.808 81 V CB 0.706 31.973 31.823 -0.926 0.000 1.035 81 V HN 0.646 nan 8.190 nan 0.000 0.445 82 P HA 0.196 nan 4.420 nan 0.000 0.293 82 P C -0.170 177.080 177.300 -0.083 0.000 1.304 82 P CA -0.586 62.149 63.100 -0.609 0.000 0.767 82 P CB 1.034 32.565 31.700 -0.281 0.000 1.247 83 E N 1.184 121.371 120.200 -0.021 0.000 2.417 83 E HA 0.014 4.365 4.350 0.001 0.000 0.261 83 E C -1.494 174.953 176.600 -0.256 0.000 1.000 83 E CA -1.505 54.862 56.400 -0.054 0.000 0.919 83 E CB 0.057 29.761 29.700 0.007 0.000 0.955 83 E HN 0.231 nan 8.360 nan 0.000 0.455 84 P HA -0.027 nan 4.420 nan 0.000 0.220 84 P C 0.423 177.133 177.300 -0.983 0.000 1.778 84 P CA -0.014 62.651 63.100 -0.726 0.000 0.912 84 P CB 0.113 31.356 31.700 -0.762 0.000 1.861 85 M N 1.459 120.682 119.600 -0.629 0.000 2.089 85 M HA -0.152 4.329 4.480 0.001 0.000 0.257 85 M C 1.559 177.771 176.300 -0.147 0.000 1.071 85 M CA 2.261 57.385 55.300 -0.294 0.000 1.096 85 M CB -1.552 31.010 32.600 -0.062 0.000 1.330 85 M HN -0.067 nan 8.290 nan 0.000 0.403 86 T N -0.884 113.572 114.554 -0.164 0.000 2.881 86 T HA -0.171 4.180 4.350 0.001 0.000 0.270 86 T C 1.485 176.122 174.700 -0.104 0.000 1.068 86 T CA 1.548 63.585 62.100 -0.106 0.000 1.131 86 T CB -0.578 68.223 68.868 -0.112 0.000 0.871 86 T HN 0.547 nan 8.240 nan 0.000 0.479 87 Y N 0.372 120.518 120.300 -0.257 0.000 2.184 87 Y HA -0.109 4.441 4.550 0.001 0.000 0.290 87 Y C 2.015 177.928 175.900 0.022 0.000 1.129 87 Y CA 1.129 59.118 58.100 -0.184 0.000 1.144 87 Y CB -0.191 38.087 38.460 -0.304 0.000 0.995 87 Y HN 0.173 nan 8.280 nan 0.000 0.513 88 W N 0.665 121.975 121.300 0.016 0.000 2.358 88 W HA -0.113 4.548 4.660 0.001 0.000 0.303 88 W C 2.326 178.799 176.519 -0.078 0.000 1.208 88 W CA 1.427 58.759 57.345 -0.022 0.000 1.274 88 W CB -1.002 28.463 29.460 0.009 0.000 1.138 88 W HN 0.137 nan 8.180 nan 0.000 0.515 89 R N -1.118 119.472 120.500 0.150 0.000 2.173 89 R HA 0.068 4.408 4.340 0.001 0.000 0.208 89 R C 1.604 177.891 176.300 -0.022 0.000 1.035 89 R CA 1.027 57.161 56.100 0.057 0.000 1.004 89 R CB -0.016 30.313 30.300 0.050 0.000 0.917 89 R HN 0.061 nan 8.270 nan 0.000 0.462 90 V N -0.574 119.292 119.914 -0.080 0.000 3.442 90 V HA 0.003 4.123 4.120 0.001 0.000 0.205 90 V C 1.860 177.832 176.094 -0.203 0.000 1.320 90 V CA -0.019 62.213 62.300 -0.113 0.000 1.306 90 V CB -0.385 31.387 31.823 -0.085 0.000 1.267 90 V HN 0.026 nan 8.190 nan 0.000 0.538 91 L N 1.392 122.443 121.223 -0.286 0.000 1.990 91 L HA -0.092 4.248 4.340 0.001 0.000 0.213 91 L C 2.549 179.042 176.870 -0.627 0.000 1.072 91 L CA 2.371 56.982 54.840 -0.382 0.000 0.755 91 L CB -1.105 40.789 42.059 -0.274 0.000 0.889 91 L HN 0.553 nan 8.230 nan 0.000 0.432 92 G N -1.143 106.929 108.800 -1.214 0.000 2.408 92 G HA2 0.321 4.281 3.960 0.001 0.000 0.215 92 G HA3 0.321 4.281 3.960 0.001 0.000 0.215 92 G C 0.446 175.147 174.900 -0.332 0.000 1.156 92 G CA 0.746 45.240 45.100 -1.011 0.000 0.793 92 G HN 0.529 nan 8.290 nan 0.000 0.535 93 A N -1.327 121.342 122.820 -0.251 0.000 2.511 93 A HA 0.639 4.959 4.320 0.001 0.000 0.293 93 A C -0.688 176.845 177.584 -0.085 0.000 1.098 93 A CA 0.171 52.142 52.037 -0.110 0.000 0.643 93 A CB 0.294 19.262 19.000 -0.054 0.000 1.302 93 A HN 0.672 nan 8.150 nan 0.000 0.446 94 S N 1.044 116.716 115.700 -0.047 0.000 2.452 94 S HA 0.462 4.933 4.470 0.001 0.000 0.284 94 S C -0.295 174.299 174.600 -0.010 0.000 1.171 94 S CA 0.106 58.287 58.200 -0.030 0.000 1.064 94 S CB -0.207 62.979 63.200 -0.024 0.000 0.967 94 S HN 0.744 nan 8.310 nan 0.000 0.484 95 E N 3.395 123.597 120.200 0.003 0.000 2.332 95 E HA -0.151 4.199 4.350 0.001 0.000 0.162 95 E C 0.675 177.290 176.600 0.024 0.000 1.637 95 E CA 0.889 57.303 56.400 0.023 0.000 0.654 95 E CB -2.056 27.654 29.700 0.015 0.000 1.072 95 E HN 0.790 nan 8.360 nan 0.000 0.336 96 T N 0.275 114.846 114.554 0.030 0.000 2.857 96 T HA -0.039 4.312 4.350 0.001 0.000 0.266 96 T C 2.046 176.739 174.700 -0.012 0.000 1.048 96 T CA 1.106 63.204 62.100 -0.004 0.000 1.139 96 T CB 0.053 68.904 68.868 -0.029 0.000 0.874 96 T HN 0.366 nan 8.240 nan 0.000 0.455 97 I N 1.417 121.994 120.570 0.011 0.000 2.286 97 I HA -0.186 3.985 4.170 0.001 0.000 0.248 97 I C 2.866 179.085 176.117 0.170 0.000 1.115 97 I CA 1.025 62.367 61.300 0.071 0.000 1.392 97 I CB -0.410 37.630 38.000 0.066 0.000 1.065 97 I HN 0.196 nan 8.210 nan 0.000 0.418 98 A N 0.707 123.583 122.820 0.094 0.000 1.902 98 A HA -0.252 4.069 4.320 0.001 0.000 0.217 98 A C 2.102 179.741 177.584 0.092 0.000 1.181 98 A CA 2.110 54.199 52.037 0.087 0.000 0.623 98 A CB -0.736 18.286 19.000 0.036 0.000 0.818 98 A HN 0.415 nan 8.150 nan 0.000 0.443 99 N N 0.263 118.995 118.700 0.054 0.000 2.069 99 N HA -0.120 4.621 4.740 0.001 0.000 0.191 99 N C 1.532 177.060 175.510 0.031 0.000 1.031 99 N CA 1.735 54.805 53.050 0.034 0.000 0.852 99 N CB -0.413 38.081 38.487 0.013 0.000 1.018 99 N HN 0.550 nan 8.380 nan 0.000 0.423 100 I N -0.493 120.085 120.570 0.012 0.000 2.076 100 I HA -0.310 3.861 4.170 0.001 0.000 0.237 100 I C 1.684 177.739 176.117 -0.103 0.000 1.059 100 I CA 1.279 62.528 61.300 -0.086 0.000 1.317 100 I CB -0.421 37.462 38.000 -0.195 0.000 1.037 100 I HN 0.046 nan 8.210 nan 0.000 0.398 101 F N 0.664 120.610 119.950 -0.007 0.000 2.186 101 F HA -0.191 4.337 4.527 0.001 0.000 0.299 101 F C 2.746 178.570 175.800 0.041 0.000 1.090 101 F CA 1.569 59.581 58.000 0.020 0.000 1.307 101 F CB -1.229 37.775 39.000 0.005 0.000 1.019 101 F HN 0.003 nan 8.300 nan 0.000 0.489 102 T N -0.839 113.822 114.554 0.179 0.000 2.684 102 T HA -0.202 4.148 4.350 0.001 0.000 0.267 102 T C 2.006 176.778 174.700 0.119 0.000 1.036 102 T CA 2.151 64.317 62.100 0.110 0.000 1.148 102 T CB -0.671 68.232 68.868 0.058 0.000 0.863 102 T HN 0.262 nan 8.240 nan 0.000 0.436 103 T N 1.612 116.208 114.554 0.070 0.000 2.746 103 T HA -0.155 4.195 4.350 0.001 0.000 0.267 103 T C 2.083 176.808 174.700 0.041 0.000 1.039 103 T CA 1.471 63.598 62.100 0.045 0.000 1.142 103 T CB -0.330 68.545 68.868 0.011 0.000 0.866 103 T HN 0.294 nan 8.240 nan 0.000 0.444 104 Q N 0.870 120.684 119.800 0.023 0.000 2.020 104 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 104 Q C 2.102 178.135 176.000 0.056 0.000 0.982 104 Q CA 1.738 57.545 55.803 0.006 0.000 0.838 104 Q CB -0.707 28.009 28.738 -0.037 0.000 0.899 104 Q HN 0.670 nan 8.270 nan 0.000 0.423 105 H N 0.323 119.412 119.070 0.031 0.000 2.321 105 H HA -0.146 4.411 4.556 0.001 0.000 0.295 105 H C 1.716 177.057 175.328 0.022 0.000 1.102 105 H CA 2.094 58.166 56.048 0.040 0.000 1.266 105 H CB 0.231 30.032 29.762 0.065 0.000 1.363 105 H HN 0.275 nan 8.280 nan 0.000 0.492 106 R N -0.135 120.440 120.500 0.126 0.000 2.148 106 R HA -0.086 4.255 4.340 0.001 0.000 0.223 106 R C 2.501 178.796 176.300 -0.008 0.000 1.088 106 R CA 0.798 56.938 56.100 0.065 0.000 0.985 106 R CB -0.251 30.102 30.300 0.089 0.000 0.880 106 R HN 0.254 nan 8.270 nan 0.000 0.451 107 L N 1.640 122.855 121.223 -0.014 0.000 2.072 107 L HA -0.093 4.248 4.340 0.001 0.000 0.205 107 L C 1.363 178.199 176.870 -0.057 0.000 1.079 107 L CA 1.891 56.713 54.840 -0.029 0.000 0.752 107 L CB -0.401 41.642 42.059 -0.026 0.000 0.906 107 L HN -0.020 nan 8.230 nan 0.000 0.436 108 D N -0.554 119.793 120.400 -0.087 0.000 2.123 108 D HA -0.194 4.447 4.640 0.001 0.000 0.196 108 D C 2.039 178.266 176.300 -0.121 0.000 0.992 108 D CA 1.157 55.089 54.000 -0.112 0.000 0.833 108 D CB -0.173 40.539 40.800 -0.147 0.000 0.954 108 D HN 0.473 nan 8.370 nan 0.000 0.455 109 Q N -0.384 119.324 119.800 -0.152 0.000 2.436 109 Q HA 0.057 4.398 4.340 0.001 0.000 0.209 109 Q C 1.319 177.285 176.000 -0.058 0.000 0.965 109 Q CA 0.914 56.648 55.803 -0.115 0.000 0.910 109 Q CB 0.323 28.988 28.738 -0.121 0.000 0.980 109 Q HN 0.427 nan 8.270 nan 0.000 0.491 110 G N 1.238 110.010 108.800 -0.047 0.000 2.137 110 G HA2 -0.290 3.670 3.960 0.001 0.000 0.237 110 G HA3 -0.290 3.670 3.960 0.001 0.000 0.237 110 G C 0.562 175.453 174.900 -0.014 0.000 1.002 110 G CA 0.544 45.627 45.100 -0.028 0.000 0.702 110 G HN 0.444 nan 8.290 nan 0.000 0.515 111 E N -0.571 119.624 120.200 -0.008 0.000 2.299 111 E HA 0.250 4.601 4.350 0.001 0.000 0.193 111 E C 1.507 178.111 176.600 0.007 0.000 0.998 111 E CA 1.081 57.484 56.400 0.006 0.000 0.851 111 E CB 0.227 29.940 29.700 0.021 0.000 0.795 111 E HN 0.903 nan 8.360 nan 0.000 0.492 112 I N -2.997 117.575 120.570 0.003 0.000 3.191 112 I HA 0.412 4.583 4.170 0.001 0.000 0.313 112 I C -0.125 175.991 176.117 -0.001 0.000 1.193 112 I CA -1.309 59.994 61.300 0.005 0.000 0.968 112 I CB 1.998 40.004 38.000 0.010 0.000 1.262 112 I HN -0.230 nan 8.210 nan 0.000 0.456 113 S N 1.620 117.320 115.700 0.000 0.000 2.707 113 S HA 0.654 5.125 4.470 0.001 0.000 0.276 113 S C 1.108 175.706 174.600 -0.003 0.000 1.179 113 S CA -0.105 58.093 58.200 -0.003 0.000 0.992 113 S CB 1.565 64.765 63.200 -0.000 0.000 1.030 113 S HN 1.020 nan 8.310 nan 0.000 0.554 114 A N 1.110 123.927 122.820 -0.006 0.000 1.908 114 A HA 0.114 4.435 4.320 0.001 0.000 0.218 114 A C 2.177 179.763 177.584 0.004 0.000 1.181 114 A CA 1.833 53.867 52.037 -0.006 0.000 0.627 114 A CB -1.878 17.117 19.000 -0.008 0.000 0.818 114 A HN 1.151 nan 8.150 nan 0.000 0.445 115 G N -0.354 108.450 108.800 0.006 0.000 2.418 115 G HA2 -0.231 3.729 3.960 0.001 0.000 0.217 115 G HA3 -0.231 3.729 3.960 0.001 0.000 0.217 115 G C 1.158 176.064 174.900 0.010 0.000 1.158 115 G CA 1.192 46.298 45.100 0.010 0.000 0.771 115 G HN 0.458 nan 8.290 nan 0.000 0.545 116 D N 1.012 121.417 120.400 0.008 0.000 2.117 116 D HA -0.046 4.595 4.640 0.001 0.000 0.197 116 D C 2.813 179.120 176.300 0.011 0.000 0.987 116 D CA 1.301 55.307 54.000 0.010 0.000 0.829 116 D CB -0.387 40.418 40.800 0.009 0.000 0.961 116 D HN 0.313 nan 8.370 nan 0.000 0.460 117 A N 1.052 123.877 122.820 0.009 0.000 1.872 117 A HA 0.039 4.360 4.320 0.001 0.000 0.214 117 A C 2.330 179.923 177.584 0.015 0.000 1.187 117 A CA 1.992 54.034 52.037 0.007 0.000 0.614 117 A CB -0.733 18.266 19.000 -0.002 0.000 0.826 117 A HN 0.216 nan 8.150 nan 0.000 0.442 118 A N -0.528 122.303 122.820 0.019 0.000 1.917 118 A HA -0.069 4.252 4.320 0.001 0.000 0.219 118 A C 2.248 179.853 177.584 0.035 0.000 1.182 118 A CA 1.959 54.015 52.037 0.032 0.000 0.633 118 A CB -0.948 18.070 19.000 0.030 0.000 0.819 118 A HN 0.386 nan 8.150 nan 0.000 0.448 119 V N -0.739 119.191 119.914 0.027 0.000 2.307 119 V HA -0.198 3.923 4.120 0.001 0.000 0.245 119 V C 2.572 178.688 176.094 0.036 0.000 1.045 119 V CA 1.919 64.235 62.300 0.028 0.000 1.024 119 V CB -0.456 31.379 31.823 0.020 0.000 0.651 119 V HN 0.378 nan 8.190 nan 0.000 0.449 120 V N -0.960 118.971 119.914 0.029 0.000 2.427 120 V HA -0.276 3.845 4.120 0.001 0.000 0.248 120 V C 2.355 178.468 176.094 0.032 0.000 1.051 120 V CA 2.129 64.445 62.300 0.026 0.000 1.048 120 V CB -0.498 31.335 31.823 0.016 0.000 0.666 120 V HN 0.471 nan 8.190 nan 0.000 0.456 121 M N -0.145 119.476 119.600 0.035 0.000 2.175 121 M HA -0.120 4.361 4.480 0.001 0.000 0.264 121 M C 2.073 178.436 176.300 0.104 0.000 1.063 121 M CA 1.954 57.280 55.300 0.044 0.000 1.119 121 M CB -0.808 31.816 32.600 0.041 0.000 1.377 121 M HN 0.374 nan 8.290 nan 0.000 0.415 122 T N -1.362 113.274 114.554 0.137 0.000 2.770 122 T HA -0.087 4.264 4.350 0.001 0.000 0.263 122 T C 1.978 176.834 174.700 0.260 0.000 1.039 122 T CA 1.639 63.890 62.100 0.252 0.000 1.142 122 T CB -0.503 68.437 68.868 0.119 0.000 0.868 122 T HN 0.422 nan 8.240 nan 0.000 0.435 123 S N 1.143 116.928 115.700 0.142 0.000 2.359 123 S HA -0.144 4.326 4.470 0.001 0.000 0.224 123 S C 2.394 177.049 174.600 0.091 0.000 1.035 123 S CA 1.492 59.759 58.200 0.111 0.000 1.018 123 S CB -0.622 62.618 63.200 0.067 0.000 0.876 123 S HN 0.517 nan 8.310 nan 0.000 0.448 124 A N 0.860 123.715 122.820 0.058 0.000 1.933 124 A HA -0.083 4.238 4.320 0.001 0.000 0.218 124 A C 2.170 179.740 177.584 -0.023 0.000 1.175 124 A CA 1.400 53.441 52.037 0.007 0.000 0.628 124 A CB -0.609 18.376 19.000 -0.026 0.000 0.814 124 A HN 0.571 nan 8.150 nan 0.000 0.444 125 Q N -0.602 119.200 119.800 0.003 0.000 2.369 125 Q HA -0.014 4.327 4.340 0.001 0.000 0.206 125 Q C 1.965 177.875 176.000 -0.152 0.000 0.963 125 Q CA 0.510 56.250 55.803 -0.106 0.000 0.894 125 Q CB -0.208 28.452 28.738 -0.130 0.000 0.965 125 Q HN 0.642 nan 8.270 nan 0.000 0.475 126 I N 0.816 121.386 120.570 0.000 0.000 2.202 126 I HA -0.207 3.963 4.170 0.001 0.000 0.242 126 I C 2.181 178.328 176.117 0.050 0.000 1.091 126 I CA 1.725 63.051 61.300 0.044 0.000 1.368 126 I CB -1.350 36.745 38.000 0.159 0.000 1.058 126 I HN 0.228 nan 8.210 nan 0.000 0.410 127 T N -0.430 114.173 114.554 0.082 0.000 2.788 127 T HA -0.154 4.197 4.350 0.001 0.000 0.268 127 T C 1.902 176.714 174.700 0.186 0.000 1.044 127 T CA 0.988 63.196 62.100 0.180 0.000 1.139 127 T CB -0.260 68.693 68.868 0.142 0.000 0.867 127 T HN 0.072 nan 8.240 nan 0.000 0.454 128 M N 1.499 121.084 119.600 -0.024 0.000 2.117 128 M HA 0.102 4.583 4.480 0.001 0.000 0.262 128 M C 2.702 179.010 176.300 0.012 0.000 1.065 128 M CA 1.654 56.862 55.300 -0.152 0.000 1.114 128 M CB -1.602 30.732 32.600 -0.443 0.000 1.361 128 M HN 0.517 nan 8.290 nan 0.000 0.408 129 G N -0.821 107.956 108.800 -0.039 0.000 2.880 129 G HA2 -0.072 3.889 3.960 0.001 0.000 0.209 129 G HA3 -0.072 3.889 3.960 0.001 0.000 0.209 129 G C 1.503 176.349 174.900 -0.089 0.000 1.157 129 G CA 0.007 45.100 45.100 -0.011 0.000 0.779 129 G HN 0.192 nan 8.290 nan 0.000 0.539 130 M N 1.753 121.288 119.600 -0.108 0.000 2.151 130 M HA -0.098 4.383 4.480 0.001 0.000 0.256 130 M C -0.455 175.691 176.300 -0.258 0.000 1.072 130 M CA 1.702 56.897 55.300 -0.175 0.000 1.090 130 M CB -1.523 30.931 32.600 -0.244 0.000 1.294 130 M HN 0.054 nan 8.290 nan 0.000 0.415 131 P HA -0.151 nan 4.420 nan 0.000 0.216 131 P C 1.099 178.453 177.300 0.090 0.000 1.150 131 P CA 1.445 64.398 63.100 -0.244 0.000 0.837 131 P CB -0.395 31.093 31.700 -0.354 0.000 0.786 132 Y N -0.124 120.240 120.300 0.108 0.000 2.163 132 Y HA -0.025 4.526 4.550 0.001 0.000 0.288 132 Y C 2.627 178.531 175.900 0.005 0.000 1.136 132 Y CA 0.509 58.649 58.100 0.067 0.000 1.147 132 Y CB -1.886 36.600 38.460 0.044 0.000 0.987 132 Y HN -0.106 nan 8.280 nan 0.000 0.509 133 A N -0.200 122.708 122.820 0.146 0.000 1.858 133 A HA -0.151 4.169 4.320 0.001 0.000 0.216 133 A C 2.532 180.150 177.584 0.058 0.000 1.190 133 A CA 1.968 54.046 52.037 0.069 0.000 0.617 133 A CB -1.338 17.691 19.000 0.048 0.000 0.827 133 A HN 0.273 nan 8.150 nan 0.000 0.443 134 V N -0.267 119.673 119.914 0.044 0.000 2.407 134 V HA -0.212 3.908 4.120 0.001 0.000 0.248 134 V C 2.708 178.856 176.094 0.089 0.000 1.055 134 V CA 2.751 65.079 62.300 0.046 0.000 1.049 134 V CB -0.782 31.043 31.823 0.003 0.000 0.662 134 V HN 0.668 nan 8.190 nan 0.000 0.455 135 T N -0.579 114.058 114.554 0.139 0.000 2.708 135 T HA -0.216 4.135 4.350 0.001 0.000 0.266 135 T C 1.808 176.586 174.700 0.131 0.000 1.037 135 T CA 1.715 63.910 62.100 0.158 0.000 1.146 135 T CB -0.434 68.543 68.868 0.183 0.000 0.865 135 T HN 0.670 nan 8.240 nan 0.000 0.435 136 D N 1.080 121.536 120.400 0.095 0.000 2.123 136 D HA -0.120 4.521 4.640 0.001 0.000 0.196 136 D C 2.274 178.616 176.300 0.069 0.000 0.992 136 D CA 1.344 55.376 54.000 0.055 0.000 0.833 136 D CB -0.052 40.725 40.800 -0.037 0.000 0.954 136 D HN 0.388 nan 8.370 nan 0.000 0.455 137 A N 0.702 123.560 122.820 0.064 0.000 1.969 137 A HA -0.095 4.225 4.320 0.001 0.000 0.218 137 A C 2.506 180.140 177.584 0.083 0.000 1.169 137 A CA 1.812 53.888 52.037 0.064 0.000 0.635 137 A CB -0.653 18.378 19.000 0.052 0.000 0.810 137 A HN 0.319 nan 8.150 nan 0.000 0.445 138 V N -3.372 116.598 119.914 0.093 0.000 2.951 138 V HA 0.023 4.144 4.120 0.001 0.000 0.255 138 V C 2.035 178.222 176.094 0.154 0.000 1.088 138 V CA 1.477 63.843 62.300 0.111 0.000 1.109 138 V CB -0.432 31.445 31.823 0.091 0.000 0.724 138 V HN 0.231 nan 8.190 nan 0.000 0.471 139 L N 1.074 122.380 121.223 0.138 0.000 2.209 139 L HA 0.395 4.736 4.340 0.001 0.000 0.207 139 L C 2.723 179.715 176.870 0.202 0.000 1.094 139 L CA 1.745 56.679 54.840 0.157 0.000 0.790 139 L CB -0.919 41.231 42.059 0.151 0.000 0.932 139 L HN 0.324 nan 8.230 nan 0.000 0.447 140 A N 0.611 123.522 122.820 0.153 0.000 1.903 140 A HA -0.171 4.150 4.320 0.001 0.000 0.219 140 A C -0.114 177.543 177.584 0.122 0.000 1.191 140 A CA 2.141 54.254 52.037 0.127 0.000 0.638 140 A CB -2.036 17.016 19.000 0.087 0.000 0.823 140 A HN 0.386 nan 8.150 nan 0.000 0.451 141 P HA -0.114 nan 4.420 nan 0.000 0.222 141 P C 0.883 178.166 177.300 -0.029 0.000 1.147 141 P CA 1.090 64.203 63.100 0.020 0.000 0.790 141 P CB -0.240 31.441 31.700 -0.032 0.000 0.780 142 H N -1.450 117.653 119.070 0.054 0.000 2.548 142 H HA 0.070 4.626 4.556 0.001 0.000 0.268 142 H C 0.588 175.954 175.328 0.065 0.000 0.975 142 H CA 0.186 56.267 56.048 0.054 0.000 1.195 142 H CB 0.231 30.022 29.762 0.049 0.000 1.397 142 H HN 0.098 nan 8.280 nan 0.000 0.572 143 I N 1.875 122.548 120.570 0.172 0.000 2.352 143 I HA 0.124 4.295 4.170 0.001 0.000 0.290 143 I C 1.269 177.454 176.117 0.113 0.000 1.036 143 I CA 0.104 61.489 61.300 0.141 0.000 1.336 143 I CB 0.785 38.869 38.000 0.140 0.000 1.407 143 I HN 0.058 nan 8.210 nan 0.000 0.497 144 G N 4.520 113.393 108.800 0.122 0.000 2.782 144 G HA2 0.635 4.596 3.960 0.001 0.000 0.201 144 G HA3 0.635 4.596 3.960 0.001 0.000 0.201 144 G C 0.195 175.170 174.900 0.125 0.000 1.374 144 G CA -0.369 44.801 45.100 0.116 0.000 1.039 144 G HN 0.696 nan 8.290 nan 0.000 0.576 145 G N -1.217 107.667 108.800 0.139 0.000 2.588 145 G HA2 0.471 4.432 3.960 0.001 0.000 0.281 145 G HA3 0.471 4.432 3.960 0.001 0.000 0.281 145 G C -0.130 174.870 174.900 0.167 0.000 1.236 145 G CA -0.413 44.769 45.100 0.136 0.000 0.969 145 G HN 0.554 nan 8.290 nan 0.000 0.504 146 E N -0.969 119.310 120.200 0.132 0.000 2.408 146 E HA 0.306 4.656 4.350 0.001 0.000 0.259 146 E C 1.105 177.768 176.600 0.106 0.000 1.110 146 E CA 0.097 56.552 56.400 0.093 0.000 0.929 146 E CB 1.195 30.940 29.700 0.075 0.000 0.971 146 E HN 0.406 nan 8.360 nan 0.000 0.438 147 A N 1.679 124.488 122.820 -0.018 0.000 1.881 147 A HA 0.415 4.735 4.320 0.001 0.000 0.210 147 A C 0.956 178.560 177.584 0.033 0.000 1.239 147 A CA 1.332 53.337 52.037 -0.052 0.000 0.629 147 A CB -0.101 18.788 19.000 -0.186 0.000 0.906 147 A HN 0.771 nan 8.150 nan 0.000 0.460 148 G N -1.924 106.877 108.800 0.002 0.000 2.288 148 G HA2 0.301 4.262 3.960 0.001 0.000 0.227 148 G HA3 0.301 4.262 3.960 0.001 0.000 0.227 148 G C 0.059 174.952 174.900 -0.011 0.000 1.339 148 G CA -0.068 45.038 45.100 0.009 0.000 1.057 148 G HN 0.791 nan 8.290 nan 0.000 0.470 154 P HA 0.539 nan 4.420 nan 0.000 0.309 154 P C -3.018 174.261 177.300 -0.034 0.000 1.452 154 P CA -1.407 61.678 63.100 -0.025 0.000 1.053 154 P CB 1.696 33.387 31.700 -0.015 0.000 1.167 155 P HA 0.283 nan 4.420 nan 0.000 0.295 155 P C 0.562 177.841 177.300 -0.034 0.000 1.354 155 P CA -0.489 62.584 63.100 -0.045 0.000 0.814 155 P CB 1.468 33.139 31.700 -0.050 0.000 0.935 156 A N 4.228 127.031 122.820 -0.027 0.000 1.978 156 A HA -0.026 4.294 4.320 0.001 0.000 0.220 156 A C 0.784 178.353 177.584 -0.025 0.000 1.170 156 A CA 1.418 53.444 52.037 -0.018 0.000 0.636 156 A CB -0.577 18.419 19.000 -0.006 0.000 0.810 156 A HN 0.552 nan 8.150 nan 0.000 0.448 157 L N -2.612 118.592 121.223 -0.032 0.000 2.472 157 L HA 0.575 4.916 4.340 0.001 0.000 0.260 157 L C -1.259 175.580 176.870 -0.052 0.000 0.963 157 L CA 0.070 54.884 54.840 -0.042 0.000 0.829 157 L CB 2.341 44.376 42.059 -0.042 0.000 1.348 157 L HN -0.114 nan 8.230 nan 0.000 0.408 158 T N 5.282 119.798 114.554 -0.064 0.000 2.892 158 T HA 0.440 4.790 4.350 0.001 0.000 0.311 158 T C -0.871 173.767 174.700 -0.103 0.000 1.033 158 T CA -0.174 61.883 62.100 -0.072 0.000 0.991 158 T CB 0.563 69.392 68.868 -0.065 0.000 0.981 158 T HN 0.535 nan 8.240 nan 0.000 0.457 159 L N 5.796 126.938 121.223 -0.134 0.000 2.257 159 L HA 0.590 4.931 4.340 0.001 0.000 0.290 159 L C -0.839 175.860 176.870 -0.284 0.000 1.044 159 L CA -0.673 54.003 54.840 -0.274 0.000 0.810 159 L CB 0.371 42.227 42.059 -0.339 0.000 1.193 159 L HN 0.614 nan 8.230 nan 0.000 0.425 160 I N 5.024 125.449 120.570 -0.243 0.000 2.355 160 I HA 0.311 4.482 4.170 0.001 0.000 0.288 160 I C -0.765 175.306 176.117 -0.078 0.000 0.999 160 I CA -0.436 60.828 61.300 -0.060 0.000 1.163 160 I CB 1.170 39.207 38.000 0.063 0.000 1.316 160 I HN 0.365 nan 8.210 nan 0.000 0.454 161 F N 3.199 123.060 119.950 -0.149 0.000 2.470 161 F HA 0.324 4.852 4.527 0.001 0.000 0.329 161 F C 0.592 176.398 175.800 0.009 0.000 1.072 161 F CA -1.141 56.759 58.000 -0.166 0.000 0.989 161 F CB 0.731 39.605 39.000 -0.211 0.000 1.193 161 F HN 0.343 nan 8.300 nan 0.000 0.481 162 D N 3.129 123.619 120.400 0.150 0.000 2.441 162 D HA 0.333 4.974 4.640 0.001 0.000 0.221 162 D C -0.050 176.366 176.300 0.195 0.000 1.156 162 D CA 0.188 54.308 54.000 0.200 0.000 0.896 162 D CB -0.039 40.838 40.800 0.128 0.000 1.028 162 D HN 0.576 nan 8.370 nan 0.000 0.509 163 R N 1.064 121.672 120.500 0.180 0.000 4.056 163 R HA -0.174 4.166 4.340 0.001 0.000 0.410 163 R C -0.527 175.745 176.300 -0.047 0.000 0.286 163 R CA -0.067 56.052 56.100 0.033 0.000 1.305 163 R CB -0.655 29.564 30.300 -0.135 0.000 1.231 163 R HN 0.644 nan 8.270 nan 0.000 0.471 164 H N 1.576 120.477 119.070 -0.283 0.000 2.731 164 H HA 0.304 4.860 4.556 0.001 0.000 0.368 164 H C -2.043 173.015 175.328 -0.450 0.000 1.168 164 H CA -2.167 53.617 56.048 -0.441 0.000 1.181 164 H CB 2.247 31.680 29.762 -0.547 0.000 1.743 164 H HN 0.197 nan 8.280 nan 0.000 0.547 165 P HA -0.142 nan 4.420 nan 0.000 0.218 165 P C 1.590 178.936 177.300 0.076 0.000 1.146 165 P CA 1.775 64.793 63.100 -0.136 0.000 0.813 165 P CB -0.141 31.435 31.700 -0.206 0.000 0.778 166 I N -4.498 116.233 120.570 0.268 0.000 2.916 166 I HA -0.060 4.110 4.170 0.001 0.000 0.267 166 I C 1.893 178.078 176.117 0.113 0.000 1.263 166 I CA 1.135 62.515 61.300 0.134 0.000 1.471 166 I CB -0.910 37.111 38.000 0.034 0.000 1.089 166 I HN -0.179 nan 8.210 nan 0.000 0.468 167 A N 1.637 124.552 122.820 0.159 0.000 1.897 167 A HA 0.181 4.501 4.320 0.001 0.000 0.215 167 A C 2.521 180.303 177.584 0.331 0.000 1.181 167 A CA 1.502 53.722 52.037 0.305 0.000 0.620 167 A CB -0.656 18.533 19.000 0.315 0.000 0.821 167 A HN 0.545 nan 8.150 nan 0.000 0.443 168 A N -1.114 121.846 122.820 0.234 0.000 2.030 168 A HA 0.342 4.663 4.320 0.001 0.000 0.215 168 A C 1.982 179.528 177.584 -0.063 0.000 1.164 168 A CA 0.804 52.927 52.037 0.144 0.000 0.697 168 A CB -0.262 18.881 19.000 0.238 0.000 0.827 168 A HN 0.407 nan 8.150 nan 0.000 0.457 169 L N -1.555 119.654 121.223 -0.023 0.000 2.298 169 L HA 0.132 4.473 4.340 0.001 0.000 0.209 169 L C 2.134 179.034 176.870 0.050 0.000 1.084 169 L CA 0.436 55.227 54.840 -0.082 0.000 0.816 169 L CB 0.132 42.198 42.059 0.012 0.000 0.967 169 L HN 0.457 nan 8.230 nan 0.000 0.460 170 L N -1.883 119.373 121.223 0.055 0.000 2.675 170 L HA 0.085 4.426 4.340 0.001 0.000 0.178 170 L C 2.273 179.143 176.870 -0.001 0.000 1.135 170 L CA 1.180 56.048 54.840 0.048 0.000 0.855 170 L CB -0.338 41.716 42.059 -0.008 0.000 1.235 170 L HN 0.080 nan 8.230 nan 0.000 0.499 171 C N -0.283 118.969 119.300 -0.080 0.000 2.442 171 C HA -0.149 4.312 4.460 0.001 0.000 0.279 171 C C 2.525 177.392 174.990 -0.204 0.000 1.237 171 C CA 0.865 59.730 59.018 -0.256 0.000 1.722 171 C CB -1.369 26.040 27.740 -0.552 0.000 2.056 171 C HN 0.597 nan 8.230 nan 0.000 0.469 172 Y N 1.660 121.977 120.300 0.029 0.000 2.097 172 Y HA -0.101 4.450 4.550 0.001 0.000 0.282 172 Y C 0.133 176.049 175.900 0.028 0.000 1.152 172 Y CA 2.131 60.253 58.100 0.036 0.000 1.136 172 Y CB -2.086 36.385 38.460 0.018 0.000 0.975 172 Y HN 0.286 nan 8.280 nan 0.000 0.498 173 P HA -0.200 nan 4.420 nan 0.000 0.215 173 P C 1.369 178.756 177.300 0.144 0.000 1.153 173 P CA 2.356 65.569 63.100 0.188 0.000 0.853 173 P CB -0.169 31.712 31.700 0.302 0.000 0.788 174 A N -0.154 122.714 122.820 0.079 0.000 1.972 174 A HA -0.093 4.227 4.320 0.001 0.000 0.219 174 A C 2.293 179.892 177.584 0.025 0.000 1.169 174 A CA 2.001 54.065 52.037 0.045 0.000 0.635 174 A CB -1.541 17.427 19.000 -0.053 0.000 0.810 174 A HN 0.200 nan 8.150 nan 0.000 0.446 175 A N -0.578 122.210 122.820 -0.052 0.000 1.929 175 A HA -0.088 4.233 4.320 0.001 0.000 0.216 175 A C 2.166 179.722 177.584 -0.046 0.000 1.176 175 A CA 1.169 53.156 52.037 -0.083 0.000 0.628 175 A CB -0.373 18.533 19.000 -0.156 0.000 0.816 175 A HN 0.358 nan 8.150 nan 0.000 0.444 176 R N -1.486 119.018 120.500 0.007 0.000 2.115 176 R HA -0.124 4.216 4.340 0.001 0.000 0.230 176 R C 1.938 178.241 176.300 0.005 0.000 1.111 176 R CA 1.506 57.611 56.100 0.008 0.000 0.976 176 R CB -0.995 29.330 30.300 0.042 0.000 0.870 176 R HN 0.773 nan 8.270 nan 0.000 0.445 177 Y N 1.451 121.726 120.300 -0.042 0.000 2.163 177 Y HA -0.108 4.442 4.550 0.001 0.000 0.288 177 Y C 1.973 177.825 175.900 -0.081 0.000 1.136 177 Y CA 1.340 59.405 58.100 -0.058 0.000 1.147 177 Y CB -0.512 37.902 38.460 -0.077 0.000 0.987 177 Y HN -0.097 nan 8.280 nan 0.000 0.509 178 L N -0.050 120.948 121.223 -0.374 0.000 2.353 178 L HA -0.181 4.159 4.340 0.001 0.000 0.220 178 L C 1.714 178.412 176.870 -0.287 0.000 1.133 178 L CA 0.641 55.245 54.840 -0.393 0.000 0.798 178 L CB -0.389 41.547 42.059 -0.205 0.000 0.922 178 L HN 0.340 nan 8.230 nan 0.000 0.445 179 M N -1.064 118.410 119.600 -0.211 0.000 2.428 179 M HA 0.237 4.718 4.480 0.001 0.000 0.239 179 M C 1.563 177.774 176.300 -0.149 0.000 1.121 179 M CA 0.683 55.895 55.300 -0.148 0.000 1.019 179 M CB -0.164 32.379 32.600 -0.095 0.000 1.485 179 M HN 0.328 nan 8.290 nan 0.000 0.484 180 G N 0.866 109.542 108.800 -0.206 0.000 2.159 180 G HA2 -0.262 3.698 3.960 0.001 0.000 0.256 180 G HA3 -0.262 3.698 3.960 0.001 0.000 0.256 180 G C 0.778 175.633 174.900 -0.075 0.000 0.977 180 G CA 0.752 45.761 45.100 -0.153 0.000 0.652 180 G HN 0.552 nan 8.290 nan 0.000 0.531 181 S N -1.335 114.332 115.700 -0.055 0.000 2.577 181 S HA 0.679 5.149 4.470 0.001 0.000 0.219 181 S C 0.415 175.029 174.600 0.024 0.000 0.962 181 S CA 0.724 58.913 58.200 -0.018 0.000 0.921 181 S CB 0.440 63.621 63.200 -0.032 0.000 0.789 181 S HN 0.887 nan 8.310 nan 0.000 0.497 182 M N 2.463 122.100 119.600 0.062 0.000 2.322 182 M HA 0.304 4.785 4.480 0.001 0.000 0.285 182 M C -0.918 175.490 176.300 0.181 0.000 1.119 182 M CA -0.268 55.101 55.300 0.115 0.000 0.953 182 M CB 2.134 34.820 32.600 0.144 0.000 1.701 182 M HN 0.249 nan 8.290 nan 0.000 0.479 183 T N 1.510 116.131 114.554 0.113 0.000 2.918 183 T HA 0.383 4.733 4.350 0.001 0.000 0.302 183 T C -1.944 172.769 174.700 0.022 0.000 1.045 183 T CA -1.097 61.062 62.100 0.099 0.000 1.114 183 T CB 0.526 69.409 68.868 0.025 0.000 0.965 183 T HN 0.585 nan 8.240 nan 0.000 0.540 184 P HA -0.078 nan 4.420 nan 0.000 0.223 184 P C 1.071 178.243 177.300 -0.213 0.000 1.151 184 P CA 0.960 63.847 63.100 -0.355 0.000 0.787 184 P CB 0.174 31.506 31.700 -0.614 0.000 0.788 185 Q N 0.395 120.074 119.800 -0.202 0.000 2.119 185 Q HA -0.015 4.326 4.340 0.001 0.000 0.201 185 Q C 2.491 178.456 176.000 -0.058 0.000 0.972 185 Q CA 1.868 57.596 55.803 -0.125 0.000 0.847 185 Q CB -1.261 27.473 28.738 -0.007 0.000 0.903 185 Q HN 0.210 nan 8.270 nan 0.000 0.433 186 A N 0.205 122.967 122.820 -0.097 0.000 1.902 186 A HA -0.139 4.181 4.320 0.001 0.000 0.217 186 A C 2.299 179.745 177.584 -0.229 0.000 1.181 186 A CA 1.492 53.403 52.037 -0.211 0.000 0.623 186 A CB -0.816 18.079 19.000 -0.174 0.000 0.818 186 A HN 0.224 nan 8.150 nan 0.000 0.443 187 V N 0.197 120.095 119.914 -0.026 0.000 2.407 187 V HA -0.241 3.879 4.120 0.001 0.000 0.248 187 V C 2.430 178.566 176.094 0.070 0.000 1.055 187 V CA 1.837 64.215 62.300 0.129 0.000 1.049 187 V CB -0.764 31.175 31.823 0.193 0.000 0.662 187 V HN 0.556 nan 8.190 nan 0.000 0.455 188 L N -0.153 121.054 121.223 -0.026 0.000 2.313 188 L HA 0.006 4.346 4.340 0.001 0.000 0.214 188 L C 2.642 179.503 176.870 -0.015 0.000 1.119 188 L CA 0.977 55.769 54.840 -0.081 0.000 0.809 188 L CB -0.676 41.328 42.059 -0.093 0.000 0.933 188 L HN 0.347 nan 8.230 nan 0.000 0.449 189 A N 0.130 122.923 122.820 -0.045 0.000 1.930 189 A HA -0.161 4.159 4.320 0.001 0.000 0.217 189 A C 1.934 179.518 177.584 -0.001 0.000 1.175 189 A CA 1.282 53.278 52.037 -0.069 0.000 0.627 189 A CB -0.531 18.357 19.000 -0.187 0.000 0.815 189 A HN 0.267 nan 8.150 nan 0.000 0.443 190 F N -0.225 119.743 119.950 0.031 0.000 2.206 190 F HA -0.071 4.456 4.527 0.001 0.000 0.298 190 F C 2.437 178.247 175.800 0.017 0.000 1.090 190 F CA 0.812 58.832 58.000 0.034 0.000 1.323 190 F CB -0.901 38.128 39.000 0.049 0.000 1.028 190 F HN 0.014 nan 8.300 nan 0.000 0.492 191 V N 0.038 120.053 119.914 0.168 0.000 2.407 191 V HA -0.285 3.836 4.120 0.001 0.000 0.248 191 V C 2.606 178.726 176.094 0.044 0.000 1.055 191 V CA 1.659 63.993 62.300 0.058 0.000 1.049 191 V CB -1.354 30.433 31.823 -0.059 0.000 0.662 191 V HN 0.342 nan 8.190 nan 0.000 0.455 192 A N -0.392 122.454 122.820 0.044 0.000 1.978 192 A HA -0.111 4.210 4.320 0.001 0.000 0.220 192 A C 1.975 179.593 177.584 0.057 0.000 1.170 192 A CA 1.515 53.577 52.037 0.042 0.000 0.636 192 A CB -0.442 18.581 19.000 0.038 0.000 0.810 192 A HN 0.553 nan 8.150 nan 0.000 0.448 193 L N -0.141 121.136 121.223 0.089 0.000 2.629 193 L HA 0.259 4.599 4.340 0.001 0.000 0.230 193 L C -0.187 176.731 176.870 0.080 0.000 1.151 193 L CA -0.393 54.502 54.840 0.092 0.000 0.924 193 L CB -0.159 41.982 42.059 0.137 0.000 1.137 193 L HN 0.247 nan 8.230 nan 0.000 0.457 194 I N 3.083 123.694 120.570 0.069 0.000 2.581 194 I HA 0.047 4.217 4.170 0.001 0.000 0.285 194 I C -1.576 174.566 176.117 0.041 0.000 1.129 194 I CA -1.632 59.701 61.300 0.055 0.000 1.397 194 I CB 0.311 38.340 38.000 0.048 0.000 1.399 194 I HN -0.089 nan 8.210 nan 0.000 0.537 195 P HA 0.061 nan 4.420 nan 0.000 0.267 195 P C -2.483 174.833 177.300 0.027 0.000 1.201 195 P CA -1.041 62.073 63.100 0.022 0.000 0.775 195 P CB -0.515 31.187 31.700 0.003 0.000 0.854 196 P HA 0.030 nan 4.420 nan 0.000 0.267 196 P C -0.203 177.120 177.300 0.039 0.000 1.200 196 P CA 0.506 63.626 63.100 0.033 0.000 0.772 196 P CB -0.128 31.592 31.700 0.033 0.000 0.855 197 T N 3.938 118.515 114.554 0.039 0.000 2.727 197 T HA 0.272 4.623 4.350 0.001 0.000 0.295 197 T C 0.517 175.253 174.700 0.060 0.000 0.915 197 T CA -0.197 61.930 62.100 0.045 0.000 1.066 197 T CB -0.394 68.484 68.868 0.017 0.000 0.891 197 T HN 0.150 nan 8.240 nan 0.000 0.516 198 L N 4.883 126.155 121.223 0.082 0.000 2.439 198 L HA 0.401 4.742 4.340 0.001 0.000 0.259 198 L C -1.954 174.991 176.870 0.126 0.000 1.129 198 L CA -2.580 52.319 54.840 0.099 0.000 0.803 198 L CB -0.006 42.120 42.059 0.111 0.000 1.161 198 L HN 0.294 nan 8.230 nan 0.000 0.462 199 P HA 0.046 nan 4.420 nan 0.000 0.267 199 P C 0.414 177.821 177.300 0.179 0.000 1.200 199 P CA 0.472 63.665 63.100 0.155 0.000 0.772 199 P CB 0.500 32.277 31.700 0.127 0.000 0.855 200 G N 1.370 110.304 108.800 0.222 0.000 2.198 200 G HA2 -0.210 3.751 3.960 0.001 0.000 0.257 200 G HA3 -0.210 3.751 3.960 0.001 0.000 0.257 200 G C 0.044 175.114 174.900 0.284 0.000 1.042 200 G CA -0.079 45.151 45.100 0.215 0.000 0.791 200 G HN 0.564 nan 8.290 nan 0.000 0.502 201 T N 1.807 116.557 114.554 0.328 0.000 2.997 201 T HA 0.352 4.703 4.350 0.001 0.000 0.311 201 T C 0.217 175.128 174.700 0.351 0.000 1.079 201 T CA -0.401 61.886 62.100 0.311 0.000 0.982 201 T CB 0.197 69.163 68.868 0.162 0.000 1.032 201 T HN 0.361 nan 8.240 nan 0.000 0.581 202 N N 3.539 122.488 118.700 0.414 0.000 2.437 202 N HA 0.394 5.135 4.740 0.001 0.000 0.259 202 N C -0.821 174.940 175.510 0.419 0.000 0.983 202 N CA -0.393 52.919 53.050 0.436 0.000 0.937 202 N CB 2.056 40.703 38.487 0.266 0.000 1.122 202 N HN 0.565 nan 8.380 nan 0.000 0.499 203 I N 2.276 123.074 120.570 0.379 0.000 2.410 203 I HA 0.263 4.433 4.170 0.001 0.000 0.286 203 I C -0.941 175.360 176.117 0.306 0.000 1.009 203 I CA -0.803 60.666 61.300 0.281 0.000 1.111 203 I CB 1.019 39.063 38.000 0.073 0.000 1.262 203 I HN 0.045 nan 8.210 nan 0.000 0.443 204 V N 8.148 128.224 119.914 0.270 0.000 2.432 204 V HA 0.348 4.469 4.120 0.001 0.000 0.271 204 V C 0.284 176.496 176.094 0.196 0.000 1.046 204 V CA -0.318 62.128 62.300 0.244 0.000 0.945 204 V CB 0.860 32.790 31.823 0.178 0.000 0.992 204 V HN 0.576 nan 8.190 nan 0.000 0.471 205 L N 3.833 125.163 121.223 0.178 0.000 2.334 205 L HA 0.860 5.200 4.340 0.001 0.000 0.270 205 L C 0.742 177.710 176.870 0.164 0.000 1.018 205 L CA -0.514 54.406 54.840 0.133 0.000 0.811 205 L CB 1.720 43.860 42.059 0.135 0.000 1.271 205 L HN 0.713 nan 8.230 nan 0.000 0.443 206 G N 0.007 108.909 108.800 0.170 0.000 2.417 206 G HA2 0.694 4.655 3.960 0.001 0.000 0.334 206 G HA3 0.694 4.655 3.960 0.001 0.000 0.334 206 G C -1.282 173.730 174.900 0.186 0.000 1.150 206 G CA -0.478 44.800 45.100 0.298 0.000 0.923 206 G HN 0.721 nan 8.290 nan 0.000 0.485 207 A N 0.385 123.321 122.820 0.193 0.000 2.330 207 A HA 0.830 5.151 4.320 0.001 0.000 0.327 207 A C -1.129 176.532 177.584 0.128 0.000 1.155 207 A CA -0.561 51.549 52.037 0.121 0.000 0.803 207 A CB 1.556 20.603 19.000 0.077 0.000 1.208 207 A HN 1.362 nan 8.150 nan 0.000 0.477 208 L N 3.321 124.600 121.223 0.094 0.000 2.787 208 L HA 0.500 4.840 4.340 0.001 0.000 0.260 208 L C -2.778 174.149 176.870 0.095 0.000 0.921 208 L CA -0.854 54.032 54.840 0.077 0.000 0.984 208 L CB 1.918 43.979 42.059 0.003 0.000 1.519 208 L HN 0.497 nan 8.230 nan 0.000 0.452 209 P HA 0.126 nan 4.420 nan 0.000 0.266 209 P C 0.452 177.808 177.300 0.094 0.000 1.195 209 P CA 0.066 63.208 63.100 0.071 0.000 0.768 209 P CB 0.716 32.447 31.700 0.052 0.000 0.838 210 E N 1.618 121.862 120.200 0.073 0.000 2.070 210 E HA -0.292 4.058 4.350 0.001 0.000 0.197 210 E C 0.860 177.498 176.600 0.062 0.000 1.004 210 E CA 1.693 58.127 56.400 0.058 0.000 0.805 210 E CB -0.043 29.660 29.700 0.004 0.000 0.744 210 E HN 0.410 nan 8.360 nan 0.000 0.451 211 D N -0.116 120.312 120.400 0.046 0.000 2.104 211 D HA -0.167 4.473 4.640 0.001 0.000 0.194 211 D C 2.050 178.384 176.300 0.058 0.000 0.994 211 D CA 0.810 54.834 54.000 0.040 0.000 0.830 211 D CB -0.219 40.598 40.800 0.028 0.000 0.959 211 D HN 0.094 nan 8.370 nan 0.000 0.452 212 R N -0.202 120.339 120.500 0.067 0.000 2.091 212 R HA -0.126 4.215 4.340 0.001 0.000 0.238 212 R C 2.216 178.576 176.300 0.099 0.000 1.136 212 R CA 1.072 57.212 56.100 0.067 0.000 0.959 212 R CB -0.843 29.492 30.300 0.058 0.000 0.856 212 R HN 0.519 nan 8.270 nan 0.000 0.437 213 H N 0.088 119.157 119.070 -0.002 0.000 2.352 213 H HA -0.048 4.508 4.556 0.001 0.000 0.299 213 H C 2.185 177.502 175.328 -0.018 0.000 1.097 213 H CA 1.586 57.621 56.048 -0.022 0.000 1.311 213 H CB 0.044 29.784 29.762 -0.037 0.000 1.377 213 H HN 0.093 nan 8.280 nan 0.000 0.504 214 I N 0.518 121.167 120.570 0.132 0.000 2.226 214 I HA -0.270 3.900 4.170 0.001 0.000 0.245 214 I C 2.165 178.322 176.117 0.068 0.000 1.100 214 I CA 1.219 62.552 61.300 0.055 0.000 1.374 214 I CB -0.265 37.745 38.000 0.016 0.000 1.057 214 I HN 0.431 nan 8.210 nan 0.000 0.413 215 D N 0.626 121.064 120.400 0.064 0.000 2.084 215 D HA -0.210 4.430 4.640 0.001 0.000 0.194 215 D C 2.279 178.610 176.300 0.052 0.000 0.990 215 D CA 1.361 55.390 54.000 0.049 0.000 0.826 215 D CB -0.088 40.736 40.800 0.041 0.000 0.971 215 D HN 0.221 nan 8.370 nan 0.000 0.453 216 R N 0.165 120.700 120.500 0.059 0.000 2.120 216 R HA -0.128 4.213 4.340 0.001 0.000 0.234 216 R C 2.323 178.660 176.300 0.062 0.000 1.123 216 R CA 0.532 56.658 56.100 0.043 0.000 0.975 216 R CB -0.147 30.159 30.300 0.010 0.000 0.866 216 R HN 0.091 nan 8.270 nan 0.000 0.446 217 L N 0.088 121.377 121.223 0.109 0.000 2.072 217 L HA 0.051 4.391 4.340 0.001 0.000 0.205 217 L C 2.135 179.054 176.870 0.082 0.000 1.079 217 L CA 1.951 56.869 54.840 0.130 0.000 0.752 217 L CB -0.646 41.517 42.059 0.173 0.000 0.906 217 L HN 0.141 nan 8.230 nan 0.000 0.436 218 A N 0.654 123.510 122.820 0.060 0.000 1.883 218 A HA -0.278 4.042 4.320 0.001 0.000 0.217 218 A C 2.229 179.829 177.584 0.027 0.000 1.186 218 A CA 2.266 54.325 52.037 0.036 0.000 0.624 218 A CB -0.746 18.272 19.000 0.030 0.000 0.822 218 A HN 0.669 nan 8.150 nan 0.000 0.444 219 K N -0.099 120.319 120.400 0.030 0.000 2.439 219 K HA -0.096 4.225 4.320 0.001 0.000 0.197 219 K C 0.817 177.430 176.600 0.023 0.000 1.041 219 K CA 1.021 57.321 56.287 0.023 0.000 0.970 219 K CB -0.112 32.401 32.500 0.022 0.000 0.773 219 K HN 0.586 nan 8.250 nan 0.000 0.479 220 R N 1.098 121.618 120.500 0.032 0.000 2.748 220 R HA 0.209 4.550 4.340 0.001 0.000 0.283 220 R C -1.009 175.309 176.300 0.031 0.000 1.507 220 R CA -0.618 55.502 56.100 0.034 0.000 1.666 220 R CB 0.585 30.911 30.300 0.044 0.000 1.237 220 R HN -0.065 nan 8.270 nan 0.000 0.633 221 Q N 2.966 122.767 119.800 0.001 0.000 2.337 221 Q HA 0.210 4.551 4.340 0.001 0.000 0.255 221 Q C -0.122 175.847 176.000 -0.053 0.000 0.997 221 Q CA -0.093 55.685 55.803 -0.041 0.000 0.925 221 Q CB 1.481 30.181 28.738 -0.064 0.000 1.212 221 Q HN 0.388 nan 8.270 nan 0.000 0.436 222 R N 2.704 123.164 120.500 -0.067 0.000 2.827 222 R HA 0.154 4.494 4.340 0.001 0.000 0.269 222 R C -2.093 174.169 176.300 -0.064 0.000 1.048 222 R CA -1.579 54.499 56.100 -0.038 0.000 1.173 222 R CB -0.621 29.682 30.300 0.005 0.000 1.070 222 R HN 0.288 nan 8.270 nan 0.000 0.498 223 P HA 0.002 nan 4.420 nan 0.000 0.260 223 P C 0.462 177.746 177.300 -0.027 0.000 1.207 223 P CA 0.944 64.034 63.100 -0.017 0.000 0.780 223 P CB 0.289 31.998 31.700 0.014 0.000 0.789 224 G N 2.163 110.929 108.800 -0.057 0.000 2.194 224 G HA2 -0.238 3.722 3.960 0.001 0.000 0.236 224 G HA3 -0.238 3.722 3.960 0.001 0.000 0.236 224 G C 0.195 175.014 174.900 -0.136 0.000 0.987 224 G CA -0.040 45.030 45.100 -0.050 0.000 0.635 224 G HN 0.608 nan 8.290 nan 0.000 0.520 225 E N 0.502 120.526 120.200 -0.294 0.000 2.373 225 E HA 0.630 4.980 4.350 0.001 0.000 0.263 225 E C 0.405 176.673 176.600 -0.554 0.000 1.073 225 E CA -0.488 55.465 56.400 -0.746 0.000 0.894 225 E CB 0.411 29.693 29.700 -0.697 0.000 1.008 225 E HN 0.421 nan 8.360 nan 0.000 0.420 226 R N 2.634 122.709 120.500 -0.708 0.000 2.621 226 R HA 0.303 4.644 4.340 0.001 0.000 0.292 226 R C -1.103 175.121 176.300 -0.127 0.000 0.969 226 R CA -1.120 54.848 56.100 -0.221 0.000 0.887 226 R CB 1.197 31.512 30.300 0.024 0.000 1.180 226 R HN 0.450 nan 8.270 nan 0.000 0.450 227 L N 3.332 124.535 121.223 -0.034 0.000 2.462 227 L HA 0.119 4.460 4.340 0.001 0.000 0.283 227 L C -0.640 176.286 176.870 0.092 0.000 1.166 227 L CA 0.481 55.338 54.840 0.028 0.000 0.964 227 L CB -0.226 41.843 42.059 0.017 0.000 1.294 227 L HN 0.450 nan 8.230 nan 0.000 0.449 228 D N 3.918 124.416 120.400 0.163 0.000 2.392 228 D HA 0.141 4.782 4.640 0.001 0.000 0.228 228 D C 0.947 177.314 176.300 0.112 0.000 1.074 228 D CA -0.277 53.821 54.000 0.164 0.000 0.838 228 D CB 1.058 42.006 40.800 0.247 0.000 1.067 228 D HN 0.508 nan 8.370 nan 0.000 0.511 229 L N 2.835 124.092 121.223 0.058 0.000 2.240 229 L HA -0.012 4.329 4.340 0.001 0.000 0.211 229 L C 2.312 179.182 176.870 0.000 0.000 1.106 229 L CA 0.695 55.544 54.840 0.015 0.000 0.793 229 L CB -0.232 41.829 42.059 0.003 0.000 0.927 229 L HN 0.413 nan 8.230 nan 0.000 0.446 230 A N -0.087 122.739 122.820 0.012 0.000 1.930 230 A HA -0.230 4.090 4.320 0.001 0.000 0.217 230 A C 2.216 179.794 177.584 -0.008 0.000 1.175 230 A CA 1.537 53.568 52.037 -0.011 0.000 0.627 230 A CB -0.355 18.636 19.000 -0.016 0.000 0.815 230 A HN 0.324 nan 8.150 nan 0.000 0.443 231 M N -0.694 118.925 119.600 0.032 0.000 2.229 231 M HA 0.007 4.488 4.480 0.001 0.000 0.264 231 M C 1.742 178.072 176.300 0.050 0.000 1.063 231 M CA 1.290 56.621 55.300 0.052 0.000 1.114 231 M CB -0.627 32.042 32.600 0.117 0.000 1.387 231 M HN 0.325 nan 8.290 nan 0.000 0.420 232 L N 0.182 121.420 121.223 0.025 0.000 2.093 232 L HA 0.091 4.432 4.340 0.001 0.000 0.208 232 L C 2.217 179.015 176.870 -0.119 0.000 1.085 232 L CA 1.962 56.755 54.840 -0.079 0.000 0.755 232 L CB -1.124 40.839 42.059 -0.161 0.000 0.904 232 L HN 0.301 nan 8.230 nan 0.000 0.435 233 A N -0.378 122.394 122.820 -0.080 0.000 1.873 233 A HA -0.041 4.279 4.320 0.001 0.000 0.215 233 A C 2.469 180.016 177.584 -0.060 0.000 1.186 233 A CA 1.647 53.641 52.037 -0.072 0.000 0.616 233 A CB -1.206 17.760 19.000 -0.057 0.000 0.823 233 A HN 0.543 nan 8.150 nan 0.000 0.442 234 A N -0.177 122.608 122.820 -0.058 0.000 1.859 234 A HA -0.179 4.142 4.320 0.001 0.000 0.217 234 A C 2.133 179.676 177.584 -0.070 0.000 1.198 234 A CA 1.958 53.953 52.037 -0.069 0.000 0.629 234 A CB -0.725 18.230 19.000 -0.074 0.000 0.830 234 A HN 0.593 nan 8.150 nan 0.000 0.446 235 I N -0.430 120.105 120.570 -0.058 0.000 2.286 235 I HA -0.197 3.974 4.170 0.001 0.000 0.248 235 I C 2.499 178.652 176.117 0.060 0.000 1.115 235 I CA 1.465 62.739 61.300 -0.043 0.000 1.392 235 I CB -0.282 37.693 38.000 -0.042 0.000 1.065 235 I HN 0.265 nan 8.210 nan 0.000 0.418 236 R N -0.386 120.125 120.500 0.018 0.000 2.096 236 R HA -0.153 4.188 4.340 0.001 0.000 0.235 236 R C 2.491 178.826 176.300 0.058 0.000 1.127 236 R CA 1.458 57.594 56.100 0.060 0.000 0.968 236 R CB -0.462 29.837 30.300 -0.000 0.000 0.861 236 R HN 0.339 nan 8.270 nan 0.000 0.440 237 R N 0.764 121.264 120.500 -0.000 0.000 2.075 237 R HA -0.099 4.241 4.340 0.001 0.000 0.232 237 R C 2.005 178.279 176.300 -0.043 0.000 1.126 237 R CA 1.297 57.384 56.100 -0.021 0.000 0.963 237 R CB -0.148 30.124 30.300 -0.046 0.000 0.858 237 R HN 0.058 nan 8.270 nan 0.000 0.435 238 V N 0.538 120.402 119.914 -0.084 0.000 2.287 238 V HA -0.274 3.847 4.120 0.001 0.000 0.248 238 V C 1.973 177.941 176.094 -0.210 0.000 1.053 238 V CA 1.860 64.050 62.300 -0.183 0.000 1.027 238 V CB -0.694 30.958 31.823 -0.285 0.000 0.646 238 V HN 0.343 nan 8.190 nan 0.000 0.447 239 Y N 1.214 121.476 120.300 -0.062 0.000 2.207 239 Y HA -0.153 4.397 4.550 0.001 0.000 0.287 239 Y C 2.505 178.395 175.900 -0.018 0.000 1.156 239 Y CA 1.686 59.768 58.100 -0.031 0.000 1.182 239 Y CB -1.073 37.383 38.460 -0.007 0.000 0.979 239 Y HN 0.278 nan 8.280 nan 0.000 0.521 240 G N -0.253 108.612 108.800 0.107 0.000 2.421 240 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 240 G HA3 -0.215 3.745 3.960 0.001 0.000 0.216 240 G C 1.669 176.580 174.900 0.019 0.000 1.171 240 G CA 1.032 46.170 45.100 0.064 0.000 0.775 240 G HN 0.349 nan 8.290 nan 0.000 0.543 241 L N -0.191 121.017 121.223 -0.024 0.000 2.042 241 L HA -0.088 4.252 4.340 0.001 0.000 0.210 241 L C 2.715 179.544 176.870 -0.068 0.000 1.076 241 L CA 0.740 55.546 54.840 -0.056 0.000 0.749 241 L CB -0.531 41.471 42.059 -0.096 0.000 0.893 241 L HN 0.256 nan 8.230 nan 0.000 0.432 242 L N 0.397 121.565 121.223 -0.091 0.000 1.989 242 L HA -0.199 4.141 4.340 0.001 0.000 0.211 242 L C 2.682 179.537 176.870 -0.025 0.000 1.071 242 L CA 2.176 56.959 54.840 -0.095 0.000 0.749 242 L CB -0.789 41.182 42.059 -0.147 0.000 0.890 242 L HN 0.148 nan 8.230 nan 0.000 0.431 243 A N -0.328 122.507 122.820 0.024 0.000 1.908 243 A HA -0.249 4.072 4.320 0.001 0.000 0.218 243 A C 2.092 179.696 177.584 0.034 0.000 1.181 243 A CA 2.052 54.112 52.037 0.037 0.000 0.627 243 A CB -0.910 18.126 19.000 0.060 0.000 0.818 243 A HN 0.670 nan 8.150 nan 0.000 0.445 244 N N -0.316 118.405 118.700 0.036 0.000 2.188 244 N HA -0.095 4.646 4.740 0.001 0.000 0.184 244 N C 1.718 177.285 175.510 0.095 0.000 1.018 244 N CA 1.819 54.906 53.050 0.061 0.000 0.858 244 N CB -0.811 37.706 38.487 0.050 0.000 0.989 244 N HN 0.530 nan 8.380 nan 0.000 0.426 245 T N 1.109 115.691 114.554 0.048 0.000 2.708 245 T HA -0.057 4.294 4.350 0.001 0.000 0.266 245 T C 2.224 177.016 174.700 0.154 0.000 1.037 245 T CA 0.922 63.071 62.100 0.082 0.000 1.146 245 T CB -0.410 68.415 68.868 -0.072 0.000 0.865 245 T HN -0.032 nan 8.240 nan 0.000 0.435 246 V N 1.275 121.230 119.914 0.069 0.000 2.287 246 V HA -0.213 3.907 4.120 0.001 0.000 0.248 246 V C 2.661 178.803 176.094 0.081 0.000 1.053 246 V CA 1.790 64.121 62.300 0.051 0.000 1.027 246 V CB -0.607 31.209 31.823 -0.011 0.000 0.646 246 V HN 0.323 nan 8.190 nan 0.000 0.447 247 R N -1.220 119.331 120.500 0.085 0.000 2.080 247 R HA -0.232 4.108 4.340 0.001 0.000 0.236 247 R C 2.374 178.759 176.300 0.142 0.000 1.137 247 R CA 2.326 58.478 56.100 0.087 0.000 0.943 247 R CB -0.576 29.772 30.300 0.080 0.000 0.846 247 R HN 0.658 nan 8.270 nan 0.000 0.431 248 Y N 1.083 121.426 120.300 0.071 0.000 2.081 248 Y HA -0.273 4.277 4.550 0.001 0.000 0.280 248 Y C 1.799 177.760 175.900 0.101 0.000 1.163 248 Y CA 1.904 60.063 58.100 0.097 0.000 1.135 248 Y CB -0.348 38.200 38.460 0.147 0.000 0.970 248 Y HN 0.030 nan 8.280 nan 0.000 0.498 249 L N 0.102 121.468 121.223 0.238 0.000 2.046 249 L HA -0.259 4.082 4.340 0.001 0.000 0.208 249 L C 2.586 179.469 176.870 0.021 0.000 1.077 249 L CA 1.702 56.614 54.840 0.121 0.000 0.747 249 L CB -0.701 41.497 42.059 0.233 0.000 0.896 249 L HN 0.320 nan 8.230 nan 0.000 0.432 250 Q N -1.124 118.693 119.800 0.029 0.000 2.226 250 Q HA -0.185 4.156 4.340 0.001 0.000 0.204 250 Q C 2.133 178.124 176.000 -0.015 0.000 0.975 250 Q CA 1.305 57.110 55.803 0.004 0.000 0.866 250 Q CB -0.194 28.546 28.738 0.004 0.000 0.915 250 Q HN 0.541 nan 8.270 nan 0.000 0.440 251 C N -0.460 118.820 119.300 -0.034 0.000 2.626 251 C HA 0.243 4.703 4.460 0.001 0.000 0.266 251 C C 1.574 176.501 174.990 -0.105 0.000 1.317 251 C CA 0.571 59.556 59.018 -0.054 0.000 1.716 251 C CB -0.741 26.978 27.740 -0.035 0.000 1.819 251 C HN 0.824 nan 8.230 nan 0.000 0.578 252 G N -0.132 108.586 108.800 -0.136 0.000 2.201 252 G HA2 -0.088 3.873 3.960 0.001 0.000 0.212 252 G HA3 -0.088 3.873 3.960 0.001 0.000 0.212 252 G C 0.428 175.165 174.900 -0.272 0.000 0.994 252 G CA -0.117 44.888 45.100 -0.158 0.000 0.644 252 G HN 0.770 nan 8.290 nan 0.000 0.508 253 G N 0.341 108.815 108.800 -0.544 0.000 2.321 253 G HA2 0.432 4.393 3.960 0.001 0.000 0.237 253 G HA3 0.432 4.393 3.960 0.001 0.000 0.237 253 G C 0.202 174.858 174.900 -0.407 0.000 1.282 253 G CA 1.198 45.694 45.100 -1.008 0.000 0.886 253 G HN 1.190 nan 8.290 nan 0.000 0.528 254 S N 3.051 118.629 115.700 -0.203 0.000 2.669 254 S HA 0.305 4.776 4.470 0.001 0.000 0.315 254 S C 1.103 175.693 174.600 -0.017 0.000 1.106 254 S CA -0.906 57.240 58.200 -0.089 0.000 1.107 254 S CB 0.137 63.252 63.200 -0.142 0.000 0.990 254 S HN 0.726 nan 8.310 nan 0.000 0.471 255 W N 6.128 127.350 121.300 -0.131 0.000 2.374 255 W HA -0.136 4.524 4.660 0.001 0.000 0.288 255 W C 0.957 177.413 176.519 -0.105 0.000 1.218 255 W CA 0.628 57.776 57.345 -0.330 0.000 1.245 255 W CB -0.546 28.221 29.460 -1.155 0.000 1.126 255 W HN 0.633 nan 8.180 nan 0.000 0.545 256 R N 0.826 120.666 120.500 -1.099 0.000 2.092 256 R HA -0.133 4.208 4.340 0.001 0.000 0.231 256 R C 2.387 178.465 176.300 -0.369 0.000 1.119 256 R CA 1.864 57.348 56.100 -1.027 0.000 0.970 256 R CB -0.517 29.135 30.300 -1.080 0.000 0.864 256 R HN 0.298 nan 8.270 nan 0.000 0.440 257 E N 0.552 120.601 120.200 -0.250 0.000 2.107 257 E HA -0.154 4.197 4.350 0.001 0.000 0.191 257 E C 0.514 177.100 176.600 -0.023 0.000 0.982 257 E CA 1.096 57.427 56.400 -0.114 0.000 0.809 257 E CB 0.254 29.892 29.700 -0.104 0.000 0.756 257 E HN 0.220 nan 8.360 nan 0.000 0.459 258 D N -0.277 120.142 120.400 0.032 0.000 2.349 258 D HA -0.067 4.574 4.640 0.001 0.000 0.214 258 D C 1.131 177.495 176.300 0.107 0.000 1.063 258 D CA -0.145 53.891 54.000 0.060 0.000 0.847 258 D CB -0.400 40.459 40.800 0.098 0.000 0.933 258 D HN 0.367 nan 8.370 nan 0.000 0.513 259 W N 2.284 123.571 121.300 -0.022 0.000 2.318 259 W HA -0.238 4.423 4.660 0.001 0.000 0.313 259 W C 1.853 178.388 176.519 0.026 0.000 1.221 259 W CA 2.065 59.440 57.345 0.049 0.000 1.266 259 W CB -0.544 28.970 29.460 0.090 0.000 1.150 259 W HN 0.082 nan 8.180 nan 0.000 0.496 260 G N 0.718 109.585 108.800 0.111 0.000 2.545 260 G HA2 -0.371 3.590 3.960 0.001 0.000 0.222 260 G HA3 -0.371 3.590 3.960 0.001 0.000 0.222 260 G C 1.395 176.249 174.900 -0.077 0.000 1.126 260 G CA 1.277 46.381 45.100 0.007 0.000 0.754 260 G HN 0.525 nan 8.290 nan 0.000 0.583 261 Q N -0.291 119.466 119.800 -0.072 0.000 2.364 261 Q HA 0.101 4.441 4.340 0.001 0.000 0.209 261 Q C 2.250 178.213 176.000 -0.061 0.000 0.977 261 Q CA 0.390 56.161 55.803 -0.054 0.000 0.885 261 Q CB -0.171 28.505 28.738 -0.103 0.000 0.941 261 Q HN 0.494 nan 8.270 nan 0.000 0.464 262 L N -0.646 120.455 121.223 -0.202 0.000 2.552 262 L HA 0.012 4.353 4.340 0.001 0.000 0.227 262 L C 1.000 177.758 176.870 -0.187 0.000 1.146 262 L CA 0.366 55.078 54.840 -0.213 0.000 0.858 262 L CB 0.326 42.120 42.059 -0.442 0.000 0.969 262 L HN -0.038 nan 8.230 nan 0.000 0.451 263 S N -0.548 115.053 115.700 -0.165 0.000 2.952 263 S HA 0.475 4.945 4.470 0.001 0.000 0.251 263 S C 0.304 174.871 174.600 -0.056 0.000 1.021 263 S CA -0.127 58.008 58.200 -0.108 0.000 1.067 263 S CB 1.152 64.283 63.200 -0.115 0.000 1.002 263 S HN 0.432 nan 8.310 nan 0.000 0.574 281 R N 0.909 121.447 120.500 0.063 0.000 2.716 281 R HA 0.793 5.133 4.340 0.001 0.000 0.271 281 R C -2.926 173.482 176.300 0.180 0.000 1.028 281 R CA -1.753 54.411 56.100 0.107 0.000 0.883 281 R CB 0.129 30.463 30.300 0.057 0.000 1.250 281 R HN 0.028 nan 8.270 nan 0.000 0.465 282 P HA -0.058 nan 4.420 nan 0.000 0.266 282 P C -0.772 176.696 177.300 0.280 0.000 1.193 282 P CA 0.049 63.280 63.100 0.219 0.000 0.770 282 P CB 0.288 32.100 31.700 0.186 0.000 0.836 283 H N 2.204 121.341 119.070 0.113 0.000 2.790 283 H HA 0.039 4.596 4.556 0.001 0.000 0.358 283 H C 1.297 176.635 175.328 0.017 0.000 1.103 283 H CA 0.058 56.159 56.048 0.089 0.000 1.426 283 H CB 0.721 30.507 29.762 0.041 0.000 1.424 283 H HN 0.432 nan 8.280 nan 0.000 0.599 284 I N 3.456 123.844 120.570 -0.303 0.000 2.423 284 I HA -0.180 3.990 4.170 0.001 0.000 0.254 284 I C 2.135 178.244 176.117 -0.013 0.000 1.151 284 I CA 1.676 62.819 61.300 -0.260 0.000 1.421 284 I CB -0.368 37.488 38.000 -0.241 0.000 1.079 284 I HN 0.790 nan 8.210 nan 0.000 0.431 285 G N -0.368 108.617 108.800 0.309 0.000 2.559 285 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 285 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 285 G C 0.864 175.819 174.900 0.091 0.000 1.126 285 G CA 0.724 45.960 45.100 0.227 0.000 0.778 285 G HN 0.405 nan 8.290 nan 0.000 0.543 286 D N 0.078 120.532 120.400 0.090 0.000 2.424 286 D HA 0.137 4.778 4.640 0.001 0.000 0.220 286 D C 1.142 177.440 176.300 -0.003 0.000 1.150 286 D CA 0.271 54.292 54.000 0.035 0.000 0.831 286 D CB 0.594 41.430 40.800 0.060 0.000 0.981 286 D HN 0.401 nan 8.370 nan 0.000 0.500 287 T N -3.309 111.227 114.554 -0.031 0.000 2.910 287 T HA 0.422 4.773 4.350 0.001 0.000 0.287 287 T C 1.298 175.938 174.700 -0.100 0.000 1.050 287 T CA -0.718 61.340 62.100 -0.070 0.000 1.011 287 T CB 1.171 69.972 68.868 -0.112 0.000 1.195 287 T HN -0.163 nan 8.240 nan 0.000 0.540 288 L N -0.200 120.898 121.223 -0.208 0.000 2.353 288 L HA 0.049 4.390 4.340 0.001 0.000 0.220 288 L C 2.025 178.801 176.870 -0.156 0.000 1.133 288 L CA 0.988 55.690 54.840 -0.230 0.000 0.798 288 L CB -0.771 41.138 42.059 -0.250 0.000 0.922 288 L HN 0.599 nan 8.230 nan 0.000 0.445 289 F N 0.163 120.140 119.950 0.046 0.000 2.171 289 F HA -0.218 4.309 4.527 0.001 0.000 0.300 289 F C 2.813 178.666 175.800 0.088 0.000 1.090 289 F CA 1.633 59.718 58.000 0.142 0.000 1.293 289 F CB -1.445 37.620 39.000 0.109 0.000 1.013 289 F HN 0.187 nan 8.300 nan 0.000 0.486 290 T N -1.242 113.373 114.554 0.102 0.000 2.849 290 T HA -0.193 4.157 4.350 0.001 0.000 0.270 290 T C 1.986 176.633 174.700 -0.088 0.000 1.066 290 T CA 1.114 63.204 62.100 -0.018 0.000 1.130 290 T CB -0.806 68.032 68.868 -0.050 0.000 0.864 290 T HN 0.310 nan 8.240 nan 0.000 0.481 291 L N -0.804 120.285 121.223 -0.224 0.000 2.201 291 L HA 0.125 4.465 4.340 0.001 0.000 0.212 291 L C 1.455 177.985 176.870 -0.568 0.000 1.105 291 L CA 0.996 55.569 54.840 -0.445 0.000 0.775 291 L CB -0.483 41.103 42.059 -0.789 0.000 0.913 291 L HN 0.248 nan 8.230 nan 0.000 0.440 292 F N -0.910 119.033 119.950 -0.011 0.000 2.664 292 F HA 0.129 4.657 4.527 0.001 0.000 0.301 292 F C 2.059 177.971 175.800 0.186 0.000 1.126 292 F CA 0.046 58.045 58.000 -0.002 0.000 1.373 292 F CB -0.450 38.531 39.000 -0.032 0.000 1.042 292 F HN -0.117 nan 8.300 nan 0.000 0.535 293 R N 0.819 121.435 120.500 0.194 0.000 2.310 293 R HA 0.340 4.680 4.340 0.001 0.000 0.202 293 R C 0.924 177.290 176.300 0.110 0.000 0.933 293 R CA -0.072 56.124 56.100 0.161 0.000 1.054 293 R CB -0.084 30.142 30.300 -0.123 0.000 0.985 293 R HN 0.182 nan 8.270 nan 0.000 0.489 294 A N 2.019 124.878 122.820 0.064 0.000 2.587 294 A HA 0.013 4.333 4.320 0.001 0.000 0.235 294 A C -1.490 176.126 177.584 0.054 0.000 1.044 294 A CA -0.699 51.367 52.037 0.048 0.000 0.754 294 A CB 0.126 19.094 19.000 -0.053 0.000 0.968 294 A HN 0.226 nan 8.150 nan 0.000 0.509 295 P HA -0.044 nan 4.420 nan 0.000 0.237 295 P C 0.406 177.742 177.300 0.058 0.000 1.178 295 P CA 0.886 64.022 63.100 0.060 0.000 0.766 295 P CB 0.289 32.020 31.700 0.052 0.000 0.876 296 E N 0.107 120.323 120.200 0.026 0.000 2.285 296 E HA 0.005 4.356 4.350 0.001 0.000 0.194 296 E C 1.866 178.476 176.600 0.016 0.000 0.997 296 E CA 0.734 57.145 56.400 0.018 0.000 0.845 296 E CB -0.642 29.046 29.700 -0.020 0.000 0.782 296 E HN 0.301 nan 8.360 nan 0.000 0.491 297 L N 0.241 121.421 121.223 -0.072 0.000 2.558 297 L HA 0.176 4.516 4.340 0.001 0.000 0.225 297 L C 0.255 177.267 176.870 0.237 0.000 1.128 297 L CA 0.003 54.785 54.840 -0.098 0.000 0.868 297 L CB -0.065 41.805 42.059 -0.314 0.000 1.006 297 L HN 0.047 nan 8.230 nan 0.000 0.454 298 L N 0.222 121.532 121.223 0.145 0.000 2.309 298 L HA 0.557 4.897 4.340 0.001 0.000 0.282 298 L C 0.571 177.370 176.870 -0.117 0.000 1.036 298 L CA -0.544 54.295 54.840 -0.000 0.000 0.806 298 L CB 1.582 43.677 42.059 0.060 0.000 1.220 298 L HN -0.036 nan 8.230 nan 0.000 0.429 299 A N 4.381 126.883 122.820 -0.530 0.000 2.310 299 A HA 0.345 4.666 4.320 0.001 0.000 0.260 299 A C -1.605 175.928 177.584 -0.085 0.000 1.112 299 A CA -0.922 50.877 52.037 -0.397 0.000 0.804 299 A CB -0.371 18.314 19.000 -0.524 0.000 1.081 299 A HN 0.648 nan 8.150 nan 0.000 0.499 300 P HA -0.132 nan 4.420 nan 0.000 0.221 300 P C 0.599 177.897 177.300 -0.003 0.000 1.145 300 P CA 1.586 64.697 63.100 0.018 0.000 0.795 300 P CB -0.050 31.671 31.700 0.035 0.000 0.775 301 N N -1.623 117.060 118.700 -0.028 0.000 2.280 301 N HA 0.098 4.838 4.740 0.001 0.000 0.192 301 N C 1.222 176.725 175.510 -0.012 0.000 1.109 301 N CA 0.620 53.659 53.050 -0.018 0.000 0.855 301 N CB -0.681 37.792 38.487 -0.023 0.000 0.974 301 N HN 0.158 nan 8.380 nan 0.000 0.482 302 G N -0.399 108.389 108.800 -0.021 0.000 2.195 302 G HA2 -0.247 3.713 3.960 0.001 0.000 0.246 302 G HA3 -0.247 3.713 3.960 0.001 0.000 0.246 302 G C -0.633 174.289 174.900 0.037 0.000 0.984 302 G CA 0.168 45.281 45.100 0.021 0.000 0.633 302 G HN 0.453 nan 8.290 nan 0.000 0.525 303 D N 0.289 120.658 120.400 -0.052 0.000 2.341 303 D HA 0.423 5.063 4.640 0.001 0.000 0.245 303 D C 0.985 177.176 176.300 -0.181 0.000 1.106 303 D CA -0.289 53.662 54.000 -0.083 0.000 0.905 303 D CB 1.043 41.757 40.800 -0.143 0.000 1.202 303 D HN 0.258 nan 8.370 nan 0.000 0.426 304 L N 2.399 123.529 121.223 -0.155 0.000 2.416 304 L HA 0.060 4.401 4.340 0.001 0.000 0.272 304 L C 0.010 176.766 176.870 -0.190 0.000 1.161 304 L CA -0.368 54.389 54.840 -0.139 0.000 0.845 304 L CB 0.225 42.120 42.059 -0.273 0.000 1.119 304 L HN 0.319 nan 8.230 nan 0.000 0.464 305 Y N 3.381 123.705 120.300 0.039 0.000 2.550 305 Y HA -0.075 4.476 4.550 0.001 0.000 0.343 305 Y C 1.711 177.409 175.900 -0.337 0.000 1.245 305 Y CA 0.082 58.109 58.100 -0.122 0.000 1.462 305 Y CB 0.247 38.632 38.460 -0.125 0.000 1.340 305 Y HN 0.581 nan 8.280 nan 0.000 0.604 306 N N 0.587 119.069 118.700 -0.363 0.000 2.120 306 N HA -0.162 4.578 4.740 0.001 0.000 0.188 306 N C 1.873 176.663 175.510 -1.199 0.000 1.024 306 N CA 1.863 54.356 53.050 -0.928 0.000 0.852 306 N CB -0.325 37.456 38.487 -1.177 0.000 1.003 306 N HN 0.545 nan 8.380 nan 0.000 0.424 307 V N 0.113 119.543 119.914 -0.807 0.000 2.278 307 V HA -0.254 3.867 4.120 0.001 0.000 0.251 307 V C 2.019 177.866 176.094 -0.411 0.000 1.062 307 V CA 1.735 63.735 62.300 -0.501 0.000 1.038 307 V CB -1.359 30.072 31.823 -0.654 0.000 0.646 307 V HN 0.001 nan 8.190 nan 0.000 0.447 308 F N 1.816 121.678 119.950 -0.146 0.000 2.146 308 F HA 0.143 4.671 4.527 0.001 0.000 0.298 308 F C 2.711 178.377 175.800 -0.223 0.000 1.096 308 F CA 0.960 58.864 58.000 -0.159 0.000 1.275 308 F CB -1.470 37.464 39.000 -0.109 0.000 1.008 308 F HN 0.172 nan 8.300 nan 0.000 0.480 309 A N 0.100 122.848 122.820 -0.121 0.000 1.908 309 A HA -0.181 4.140 4.320 0.001 0.000 0.218 309 A C 2.044 179.689 177.584 0.102 0.000 1.181 309 A CA 1.510 53.536 52.037 -0.018 0.000 0.627 309 A CB -1.266 17.727 19.000 -0.012 0.000 0.818 309 A HN 0.499 nan 8.150 nan 0.000 0.445 310 W N -0.449 120.887 121.300 0.060 0.000 2.374 310 W HA 0.001 4.662 4.660 0.000 0.000 0.288 310 W C 2.690 179.207 176.519 -0.002 0.000 1.218 310 W CA 0.665 58.035 57.345 0.042 0.000 1.245 310 W CB -1.225 28.235 29.460 0.000 0.000 1.126 310 W HN 0.476 nan 8.180 nan 0.000 0.545 311 A N 0.463 123.362 122.820 0.132 0.000 1.933 311 A HA -0.132 4.189 4.320 0.001 0.000 0.218 311 A C 2.151 179.664 177.584 -0.117 0.000 1.175 311 A CA 1.323 53.362 52.037 0.004 0.000 0.628 311 A CB -0.957 18.021 19.000 -0.035 0.000 0.814 311 A HN 0.230 nan 8.150 nan 0.000 0.444 312 L N -0.662 120.428 121.223 -0.221 0.000 2.217 312 L HA -0.123 4.217 4.340 0.001 0.000 0.211 312 L C 1.839 178.662 176.870 -0.078 0.000 1.107 312 L CA 1.011 55.624 54.840 -0.377 0.000 0.783 312 L CB -0.614 40.843 42.059 -1.002 0.000 0.919 312 L HN 0.321 nan 8.230 nan 0.000 0.442 313 D N -0.009 120.501 120.400 0.184 0.000 2.097 313 D HA -0.135 4.505 4.640 0.001 0.000 0.197 313 D C 2.356 178.779 176.300 0.204 0.000 0.984 313 D CA 1.079 55.297 54.000 0.364 0.000 0.826 313 D CB -0.130 40.908 40.800 0.396 0.000 0.973 313 D HN 0.080 nan 8.370 nan 0.000 0.460 314 V N 1.469 121.459 119.914 0.127 0.000 2.287 314 V HA -0.244 3.876 4.120 0.001 0.000 0.248 314 V C 2.583 178.706 176.094 0.048 0.000 1.053 314 V CA 1.216 63.560 62.300 0.073 0.000 1.027 314 V CB -0.545 31.304 31.823 0.045 0.000 0.646 314 V HN 0.125 nan 8.190 nan 0.000 0.447 315 L N 0.801 122.024 121.223 0.001 0.000 2.013 315 L HA -0.174 4.167 4.340 0.001 0.000 0.212 315 L C 2.457 179.346 176.870 0.031 0.000 1.073 315 L CA 2.500 57.311 54.840 -0.049 0.000 0.753 315 L CB -0.925 41.019 42.059 -0.193 0.000 0.890 315 L HN 0.237 nan 8.230 nan 0.000 0.432 316 A N -0.740 122.182 122.820 0.170 0.000 1.877 316 A HA -0.281 4.039 4.320 0.001 0.000 0.216 316 A C 2.486 180.173 177.584 0.172 0.000 1.186 316 A CA 2.112 54.328 52.037 0.298 0.000 0.620 316 A CB -0.675 18.604 19.000 0.465 0.000 0.822 316 A HN 0.504 nan 8.150 nan 0.000 0.443 317 K N -1.012 119.470 120.400 0.138 0.000 2.097 317 K HA -0.135 4.186 4.320 0.001 0.000 0.205 317 K C 2.258 178.888 176.600 0.051 0.000 1.050 317 K CA 1.011 57.352 56.287 0.089 0.000 0.938 317 K CB -0.084 32.465 32.500 0.082 0.000 0.718 317 K HN 0.263 nan 8.250 nan 0.000 0.442 318 R N 0.566 121.087 120.500 0.035 0.000 2.073 318 R HA -0.037 4.303 4.340 0.001 0.000 0.229 318 R C 2.366 178.654 176.300 -0.019 0.000 1.120 318 R CA 0.833 56.938 56.100 0.009 0.000 0.967 318 R CB -0.610 29.692 30.300 0.004 0.000 0.862 318 R HN 0.273 nan 8.270 nan 0.000 0.436 319 L N 0.196 121.409 121.223 -0.017 0.000 1.961 319 L HA -0.088 4.252 4.340 0.001 0.000 0.209 319 L C 2.802 179.646 176.870 -0.042 0.000 1.075 319 L CA 1.121 55.935 54.840 -0.044 0.000 0.749 319 L CB -0.648 41.387 42.059 -0.041 0.000 0.890 319 L HN 0.151 nan 8.230 nan 0.000 0.433 320 R N 0.571 121.074 120.500 0.006 0.000 2.227 320 R HA -0.288 4.052 4.340 0.001 0.000 0.259 320 R C 2.060 178.321 176.300 -0.065 0.000 1.139 320 R CA 2.548 58.652 56.100 0.007 0.000 0.969 320 R CB -0.453 29.879 30.300 0.053 0.000 0.903 320 R HN 0.538 nan 8.270 nan 0.000 0.452 321 S N -0.705 114.945 115.700 -0.083 0.000 2.631 321 S HA 0.128 4.599 4.470 0.001 0.000 0.217 321 S C 0.850 175.251 174.600 -0.332 0.000 0.958 321 S CA -0.223 57.879 58.200 -0.162 0.000 0.920 321 S CB 0.018 63.178 63.200 -0.066 0.000 0.776 321 S HN 0.192 nan 8.310 nan 0.000 0.517 322 M N 2.841 122.281 119.600 -0.266 0.000 2.242 322 M HA 0.238 4.719 4.480 0.001 0.000 0.344 322 M C -0.110 175.956 176.300 -0.390 0.000 1.140 322 M CA -0.011 55.127 55.300 -0.269 0.000 1.160 322 M CB 0.466 32.963 32.600 -0.172 0.000 1.491 322 M HN 0.217 nan 8.290 nan 0.000 0.459 323 H N 2.274 121.377 119.070 0.054 0.000 2.597 323 H HA 0.344 4.901 4.556 0.001 0.000 0.303 323 H C -0.887 174.430 175.328 -0.019 0.000 1.057 323 H CA -0.432 55.624 56.048 0.013 0.000 1.261 323 H CB 0.480 30.353 29.762 0.185 0.000 1.397 323 H HN 0.341 nan 8.280 nan 0.000 0.461 324 V N 5.136 124.954 119.914 -0.161 0.000 2.509 324 V HA 0.249 4.369 4.120 0.001 0.000 0.284 324 V C -0.246 175.583 176.094 -0.441 0.000 1.047 324 V CA -0.257 61.968 62.300 -0.124 0.000 0.952 324 V CB 0.625 32.405 31.823 -0.073 0.000 0.988 324 V HN 0.491 nan 8.190 nan 0.000 0.469 325 F N 4.269 124.266 119.950 0.079 0.000 2.557 325 F HA 0.573 5.101 4.527 0.001 0.000 0.316 325 F C -0.307 175.525 175.800 0.053 0.000 1.141 325 F CA -0.755 57.283 58.000 0.063 0.000 0.922 325 F CB 1.757 40.795 39.000 0.064 0.000 1.194 325 F HN 0.161 nan 8.300 nan 0.000 0.443 326 I N 4.819 125.496 120.570 0.179 0.000 2.321 326 I HA 0.324 4.495 4.170 0.001 0.000 0.291 326 I C -0.723 175.436 176.117 0.071 0.000 0.998 326 I CA -0.767 60.600 61.300 0.112 0.000 1.227 326 I CB 1.317 39.361 38.000 0.073 0.000 1.368 326 I HN 0.374 nan 8.210 nan 0.000 0.466 327 L N 6.633 127.865 121.223 0.016 0.000 2.305 327 L HA 0.466 4.806 4.340 0.001 0.000 0.284 327 L C -0.324 176.420 176.870 -0.211 0.000 1.013 327 L CA -0.189 54.565 54.840 -0.144 0.000 0.819 327 L CB 1.191 43.067 42.059 -0.305 0.000 1.227 327 L HN 0.416 nan 8.230 nan 0.000 0.417 328 D N 3.249 123.544 120.400 -0.176 0.000 2.339 328 D HA 0.044 4.685 4.640 0.001 0.000 0.256 328 D C 0.085 176.264 176.300 -0.202 0.000 1.214 328 D CA 0.497 54.435 54.000 -0.105 0.000 0.877 328 D CB 0.536 41.303 40.800 -0.056 0.000 1.111 328 D HN 0.532 nan 8.370 nan 0.000 0.478 329 Y N 1.076 121.362 120.300 -0.024 0.000 2.478 329 Y HA 0.067 4.617 4.550 0.001 0.000 0.261 329 Y C 0.989 176.871 175.900 -0.031 0.000 1.127 329 Y CA -0.204 57.874 58.100 -0.037 0.000 1.288 329 Y CB 0.362 38.778 38.460 -0.073 0.000 1.084 329 Y HN 0.350 nan 8.280 nan 0.000 0.530 330 D N 2.294 122.751 120.400 0.094 0.000 2.597 330 D HA 0.048 4.689 4.640 0.001 0.000 0.228 330 D C -0.250 176.071 176.300 0.034 0.000 1.120 330 D CA 0.415 54.451 54.000 0.058 0.000 1.083 330 D CB -0.648 40.179 40.800 0.046 0.000 1.116 330 D HN 0.541 nan 8.370 nan 0.000 0.487 331 Q N -0.793 119.030 119.800 0.038 0.000 3.011 331 Q HA 0.159 4.500 4.340 0.001 0.000 0.299 331 Q C -1.219 174.797 176.000 0.028 0.000 0.891 331 Q CA -1.048 54.767 55.803 0.020 0.000 0.792 331 Q CB -0.177 28.560 28.738 -0.002 0.000 1.601 331 Q HN 0.113 nan 8.270 nan 0.000 0.462 332 S N -0.428 115.282 115.700 0.017 0.000 2.579 332 S HA 0.269 4.740 4.470 0.001 0.000 0.275 332 S C -1.888 172.723 174.600 0.017 0.000 1.345 332 S CA -0.387 57.824 58.200 0.018 0.000 1.031 332 S CB 0.532 63.738 63.200 0.010 0.000 0.892 332 S HN 0.587 nan 8.310 nan 0.000 0.529 333 P HA -0.060 nan 4.420 nan 0.000 0.222 333 P C 1.249 178.549 177.300 0.001 0.000 1.142 333 P CA 1.514 64.627 63.100 0.022 0.000 0.788 333 P CB -0.187 31.527 31.700 0.024 0.000 0.767 334 A N -0.326 122.491 122.820 -0.005 0.000 1.898 334 A HA 0.053 4.373 4.320 0.001 0.000 0.214 334 A C 2.447 180.016 177.584 -0.023 0.000 1.183 334 A CA 1.674 53.702 52.037 -0.015 0.000 0.622 334 A CB -1.699 17.294 19.000 -0.012 0.000 0.824 334 A HN 0.259 nan 8.150 nan 0.000 0.444 335 G N -0.427 108.360 108.800 -0.022 0.000 2.480 335 G HA2 -0.299 3.662 3.960 0.001 0.000 0.216 335 G HA3 -0.299 3.662 3.960 0.001 0.000 0.216 335 G C 1.631 176.497 174.900 -0.056 0.000 1.200 335 G CA 1.378 46.458 45.100 -0.033 0.000 0.782 335 G HN 0.498 nan 8.290 nan 0.000 0.554 336 C N 0.251 119.514 119.300 -0.062 0.000 2.385 336 C HA -0.061 4.399 4.460 0.001 0.000 0.275 336 C C 2.868 177.800 174.990 -0.097 0.000 1.207 336 C CA 1.084 60.033 59.018 -0.114 0.000 1.760 336 C CB -0.830 26.874 27.740 -0.059 0.000 2.051 336 C HN 0.487 nan 8.230 nan 0.000 0.467 337 R N 1.117 121.584 120.500 -0.055 0.000 2.096 337 R HA -0.116 4.225 4.340 0.001 0.000 0.235 337 R C 1.503 177.768 176.300 -0.059 0.000 1.127 337 R CA 1.917 57.986 56.100 -0.052 0.000 0.968 337 R CB -0.777 29.498 30.300 -0.041 0.000 0.861 337 R HN 0.567 nan 8.270 nan 0.000 0.440 338 D N 0.057 120.424 120.400 -0.055 0.000 2.183 338 D HA 0.008 4.648 4.640 0.001 0.000 0.205 338 D C 1.777 178.042 176.300 -0.059 0.000 0.962 338 D CA 1.113 55.082 54.000 -0.051 0.000 0.849 338 D CB -0.183 40.593 40.800 -0.040 0.000 0.978 338 D HN 0.260 nan 8.370 nan 0.000 0.488 339 A N 1.550 124.328 122.820 -0.069 0.000 1.917 339 A HA -0.197 4.124 4.320 0.001 0.000 0.219 339 A C 2.163 179.697 177.584 -0.084 0.000 1.182 339 A CA 1.193 53.183 52.037 -0.078 0.000 0.633 339 A CB -0.751 18.184 19.000 -0.108 0.000 0.819 339 A HN 0.235 nan 8.150 nan 0.000 0.448 340 L N -1.132 120.033 121.223 -0.096 0.000 2.046 340 L HA -0.081 4.259 4.340 0.001 0.000 0.208 340 L C 2.130 178.949 176.870 -0.085 0.000 1.077 340 L CA 1.836 56.623 54.840 -0.089 0.000 0.747 340 L CB -0.690 41.323 42.059 -0.077 0.000 0.896 340 L HN 0.286 nan 8.230 nan 0.000 0.432 341 L N -0.692 120.486 121.223 -0.075 0.000 2.291 341 L HA -0.097 4.244 4.340 0.001 0.000 0.214 341 L C 2.469 179.296 176.870 -0.072 0.000 1.120 341 L CA 1.317 56.113 54.840 -0.073 0.000 0.799 341 L CB -0.694 41.328 42.059 -0.062 0.000 0.925 341 L HN 0.381 nan 8.230 nan 0.000 0.446 342 Q N -1.253 118.509 119.800 -0.063 0.000 2.083 342 Q HA -0.109 4.232 4.340 0.001 0.000 0.198 342 Q C 2.181 178.145 176.000 -0.059 0.000 0.969 342 Q CA 0.947 56.721 55.803 -0.050 0.000 0.838 342 Q CB -0.422 28.295 28.738 -0.035 0.000 0.900 342 Q HN 0.320 nan 8.270 nan 0.000 0.436 343 L N 1.184 122.361 121.223 -0.078 0.000 2.127 343 L HA -0.157 4.183 4.340 0.001 0.000 0.211 343 L C 2.556 179.274 176.870 -0.252 0.000 1.089 343 L CA 2.264 57.030 54.840 -0.123 0.000 0.757 343 L CB -1.673 40.308 42.059 -0.131 0.000 0.899 343 L HN 0.400 nan 8.230 nan 0.000 0.434 344 T N -5.091 109.340 114.554 -0.205 0.000 2.977 344 T HA -0.127 4.223 4.350 0.001 0.000 0.271 344 T C 1.930 176.528 174.700 -0.170 0.000 1.105 344 T CA 1.339 63.305 62.100 -0.223 0.000 1.116 344 T CB -0.403 68.377 68.868 -0.146 0.000 0.878 344 T HN 0.243 nan 8.240 nan 0.000 0.509 345 S N 1.027 116.663 115.700 -0.108 0.000 2.447 345 S HA 0.154 4.624 4.470 0.001 0.000 0.233 345 S C 1.984 176.565 174.600 -0.033 0.000 1.006 345 S CA 0.768 58.932 58.200 -0.059 0.000 0.957 345 S CB -0.416 62.766 63.200 -0.030 0.000 0.773 345 S HN 0.788 nan 8.310 nan 0.000 0.507 346 G N 0.378 109.168 108.800 -0.017 0.000 3.337 346 G HA2 0.367 4.328 3.960 0.001 0.000 0.246 346 G HA3 0.367 4.328 3.960 0.001 0.000 0.246 346 G C 0.157 175.137 174.900 0.133 0.000 1.131 346 G CA -0.375 44.790 45.100 0.107 0.000 0.773 346 G HN 0.303 nan 8.290 nan 0.000 0.544 347 M N 0.800 120.325 119.600 -0.126 0.000 2.288 347 M HA 0.329 4.809 4.480 0.001 0.000 0.334 347 M C -0.322 175.941 176.300 -0.061 0.000 1.150 347 M CA -0.376 54.826 55.300 -0.163 0.000 1.118 347 M CB 2.186 34.576 32.600 -0.349 0.000 1.501 347 M HN -0.247 nan 8.290 nan 0.000 0.462 348 V N 2.552 122.436 119.914 -0.051 0.000 2.481 348 V HA 0.247 4.368 4.120 0.001 0.000 0.286 348 V C -0.059 176.016 176.094 -0.030 0.000 1.042 348 V CA -0.565 61.686 62.300 -0.080 0.000 0.928 348 V CB 1.343 33.041 31.823 -0.209 0.000 0.986 348 V HN 0.795 nan 8.190 nan 0.000 0.462 349 Q N 1.853 121.626 119.800 -0.044 0.000 2.241 349 Q HA 0.730 5.071 4.340 0.001 0.000 0.262 349 Q C -0.229 175.733 176.000 -0.063 0.000 1.014 349 Q CA -0.635 55.137 55.803 -0.052 0.000 0.885 349 Q CB 2.379 31.065 28.738 -0.086 0.000 1.311 349 Q HN 0.933 nan 8.270 nan 0.000 0.461 350 T N -2.832 111.678 114.554 -0.074 0.000 2.883 350 T HA 0.379 4.730 4.350 0.001 0.000 0.296 350 T C -0.625 173.979 174.700 -0.161 0.000 1.117 350 T CA -0.888 61.169 62.100 -0.072 0.000 1.006 350 T CB 1.197 70.092 68.868 0.044 0.000 1.191 350 T HN 0.427 nan 8.240 nan 0.000 0.508 351 H N 0.209 119.307 119.070 0.046 0.000 2.551 351 H HA 0.513 5.070 4.556 0.001 0.000 0.358 351 H C 0.681 176.041 175.328 0.053 0.000 1.151 351 H CA -0.112 55.961 56.048 0.042 0.000 1.374 351 H CB 1.675 31.458 29.762 0.035 0.000 1.473 351 H HN 0.721 nan 8.280 nan 0.000 0.574 352 V N 0.211 120.228 119.914 0.173 0.000 3.134 352 V HA 0.238 4.359 4.120 0.001 0.000 0.313 352 V C 1.338 177.507 176.094 0.124 0.000 1.069 352 V CA -0.087 62.297 62.300 0.141 0.000 1.048 352 V CB 1.280 33.181 31.823 0.130 0.000 1.119 352 V HN 0.954 nan 8.190 nan 0.000 0.461 353 T N -1.749 112.859 114.554 0.090 0.000 3.057 353 T HA 0.203 4.554 4.350 0.001 0.000 0.254 353 T C 0.702 175.413 174.700 0.020 0.000 1.094 353 T CA 0.697 62.821 62.100 0.039 0.000 1.088 353 T CB -0.495 68.372 68.868 -0.002 0.000 0.934 353 T HN 1.319 nan 8.240 nan 0.000 0.497 354 T N -1.460 113.118 114.554 0.039 0.000 2.906 354 T HA 0.575 4.926 4.350 0.001 0.000 0.295 354 T C -2.413 172.323 174.700 0.060 0.000 1.075 354 T CA -1.805 60.315 62.100 0.033 0.000 1.005 354 T CB 2.185 71.064 68.868 0.019 0.000 1.136 354 T HN -0.262 nan 8.240 nan 0.000 0.498 355 P HA 0.077 nan 4.420 nan 0.000 0.218 355 P C 1.365 178.696 177.300 0.052 0.000 1.149 355 P CA 1.067 64.194 63.100 0.045 0.000 0.817 355 P CB -0.391 31.328 31.700 0.031 0.000 0.785 356 G N -0.660 108.177 108.800 0.061 0.000 3.314 356 G HA2 0.028 3.989 3.960 0.001 0.000 0.238 356 G HA3 0.028 3.989 3.960 0.001 0.000 0.238 356 G C 1.264 176.227 174.900 0.106 0.000 1.184 356 G CA -0.018 45.122 45.100 0.067 0.000 0.806 356 G HN 0.141 nan 8.290 nan 0.000 0.536 357 S N 0.501 116.286 115.700 0.142 0.000 2.406 357 S HA -0.007 4.464 4.470 0.001 0.000 0.228 357 S C 2.264 176.899 174.600 0.059 0.000 1.020 357 S CA 0.200 58.535 58.200 0.226 0.000 0.965 357 S CB -0.002 63.373 63.200 0.292 0.000 0.798 357 S HN 0.312 nan 8.310 nan 0.000 0.488 358 I N 2.329 122.920 120.570 0.035 0.000 2.202 358 I HA -0.055 4.116 4.170 0.001 0.000 0.242 358 I C -0.762 175.336 176.117 -0.032 0.000 1.091 358 I CA 1.109 62.404 61.300 -0.007 0.000 1.368 358 I CB -2.682 35.319 38.000 0.002 0.000 1.058 358 I HN 0.188 nan 8.210 nan 0.000 0.410 359 P HA -0.059 nan 4.420 nan 0.000 0.219 359 P C 1.641 178.916 177.300 -0.042 0.000 1.150 359 P CA 1.436 64.522 63.100 -0.024 0.000 0.814 359 P CB -0.270 31.427 31.700 -0.005 0.000 0.787 360 T N 0.541 115.064 114.554 -0.052 0.000 2.777 360 T HA -0.058 4.292 4.350 0.001 0.000 0.266 360 T C 1.961 176.570 174.700 -0.152 0.000 1.040 360 T CA 1.032 63.077 62.100 -0.092 0.000 1.141 360 T CB -0.819 67.983 68.868 -0.110 0.000 0.868 360 T HN 0.070 nan 8.240 nan 0.000 0.444 361 I N 0.906 121.363 120.570 -0.190 0.000 2.226 361 I HA -0.205 3.965 4.170 0.001 0.000 0.245 361 I C 2.672 178.707 176.117 -0.136 0.000 1.100 361 I CA 0.869 62.059 61.300 -0.183 0.000 1.374 361 I CB -0.553 37.349 38.000 -0.163 0.000 1.057 361 I HN 0.326 nan 8.210 nan 0.000 0.413 362 C N 0.942 120.181 119.300 -0.102 0.000 2.429 362 C HA -0.169 4.292 4.460 0.001 0.000 0.277 362 C C 2.454 177.405 174.990 -0.065 0.000 1.262 362 C CA 0.924 59.892 59.018 -0.083 0.000 1.733 362 C CB -1.075 26.630 27.740 -0.058 0.000 2.010 362 C HN 0.548 nan 8.230 nan 0.000 0.483 363 D N 0.766 121.135 120.400 -0.053 0.000 2.117 363 D HA -0.105 4.535 4.640 0.001 0.000 0.197 363 D C 2.084 178.368 176.300 -0.026 0.000 0.987 363 D CA 0.590 54.571 54.000 -0.032 0.000 0.829 363 D CB -0.755 40.031 40.800 -0.022 0.000 0.961 363 D HN 0.272 nan 8.370 nan 0.000 0.460 364 L N 1.410 122.607 121.223 -0.043 0.000 1.971 364 L HA -0.197 4.144 4.340 0.001 0.000 0.215 364 L C 2.211 179.078 176.870 -0.006 0.000 1.072 364 L CA 2.115 56.943 54.840 -0.020 0.000 0.758 364 L CB -1.189 40.835 42.059 -0.059 0.000 0.889 364 L HN 0.006 nan 8.230 nan 0.000 0.433 365 A N -0.176 122.593 122.820 -0.085 0.000 1.883 365 A HA -0.279 4.041 4.320 0.001 0.000 0.217 365 A C 2.301 179.866 177.584 -0.032 0.000 1.186 365 A CA 2.091 54.053 52.037 -0.126 0.000 0.624 365 A CB -0.546 18.337 19.000 -0.196 0.000 0.822 365 A HN 0.457 nan 8.150 nan 0.000 0.444 366 R N -0.719 119.769 120.500 -0.020 0.000 2.073 366 R HA -0.050 4.291 4.340 0.001 0.000 0.234 366 R C 2.358 178.674 176.300 0.026 0.000 1.134 366 R CA 2.071 58.173 56.100 0.003 0.000 0.952 366 R CB -1.075 29.222 30.300 -0.006 0.000 0.850 366 R HN 0.570 nan 8.270 nan 0.000 0.433 367 T N 0.547 115.118 114.554 0.028 0.000 2.788 367 T HA -0.141 4.210 4.350 0.001 0.000 0.268 367 T C 1.424 176.152 174.700 0.047 0.000 1.044 367 T CA 1.322 63.438 62.100 0.026 0.000 1.139 367 T CB -0.373 68.507 68.868 0.019 0.000 0.867 367 T HN 0.140 nan 8.240 nan 0.000 0.454 368 F N 2.402 122.306 119.950 -0.076 0.000 2.069 368 F HA -0.032 4.495 4.527 0.001 0.000 0.298 368 F C 2.529 178.267 175.800 -0.102 0.000 1.113 368 F CA 1.120 59.065 58.000 -0.091 0.000 1.214 368 F CB -0.873 38.062 39.000 -0.108 0.000 0.978 368 F HN 0.146 nan 8.300 nan 0.000 0.474 369 A N 0.669 123.642 122.820 0.256 0.000 1.873 369 A HA -0.290 4.031 4.320 0.001 0.000 0.218 369 A C 2.437 180.031 177.584 0.018 0.000 1.193 369 A CA 2.153 54.263 52.037 0.122 0.000 0.629 369 A CB -1.068 17.974 19.000 0.071 0.000 0.826 369 A HN 0.503 nan 8.150 nan 0.000 0.447 370 R N -0.418 120.086 120.500 0.007 0.000 2.081 370 R HA -0.175 4.166 4.340 0.001 0.000 0.235 370 R C 2.233 178.501 176.300 -0.053 0.000 1.131 370 R CA 1.902 57.992 56.100 -0.018 0.000 0.960 370 R CB -0.249 30.045 30.300 -0.010 0.000 0.856 370 R HN 0.755 nan 8.270 nan 0.000 0.436 371 E N -0.648 119.499 120.200 -0.088 0.000 2.170 371 E HA -0.085 4.266 4.350 0.001 0.000 0.191 371 E C 1.594 178.090 176.600 -0.174 0.000 0.981 371 E CA 0.760 57.089 56.400 -0.119 0.000 0.830 371 E CB 0.245 29.873 29.700 -0.120 0.000 0.775 371 E HN 0.367 nan 8.360 nan 0.000 0.470 372 M N -0.956 118.477 119.600 -0.278 0.000 2.338 372 M HA 0.216 4.696 4.480 0.001 0.000 0.276 372 M C 1.150 177.291 176.300 -0.265 0.000 1.057 372 M CA 0.235 55.330 55.300 -0.343 0.000 1.079 372 M CB 1.589 33.783 32.600 -0.676 0.000 1.547 372 M HN 0.048 nan 8.290 nan 0.000 0.549 373 G N 1.514 110.216 108.800 -0.163 0.000 3.943 373 G HA2 0.433 4.393 3.960 0.001 0.000 0.275 373 G HA3 0.433 4.393 3.960 0.001 0.000 0.275 373 G C -0.568 174.305 174.900 -0.045 0.000 1.234 373 G CA 0.048 45.098 45.100 -0.084 0.000 1.522 373 G HN 0.320 nan 8.290 nan 0.000 0.636 374 E N 0.000 120.162 120.200 -0.063 0.000 2.725 374 E HA 0.000 4.351 4.350 0.001 0.000 0.291 374 E CA 0.000 56.379 56.400 -0.035 0.000 0.976 374 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 374 E HN 0.000 nan 8.360 nan 0.000 0.440