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 1m7x_1_B DATA FIRST_RESID 117 DATA SEQUENCE THLRPYETLG AHADTMDGVT GTRFSVWAPN ARRVSVVGQF NYWDGRRHPM DATA SEQUENCE RLRKESGIWE LFIPGAHNGQ LYKYEMIDAN GNLRLKSDPY AFEAQXXPET DATA SEQUENCE ASLICGLPEK VVQTEERKKA NQFDAPISIY EVHLGSWRRH TDNNFWLSYR DATA SEQUENCE ELADQLVPYA KWMGFTHLEL LPINEHPFDG SWGYQPTGLY APTRRFGTRD DATA SEQUENCE DFRYFIDAAH AAGLNVILDW VPGHFPTDDF ALAEFDGTNL YEHSXXXXXX DATA SEQUENCE XXXXXTLIYN YGRREVSNFL VGNALYWIER FGIDALRVDA VASMIYRDXX DATA SEQUENCE XXXXXXIPNE FGGRENLEAI EFLRNTNRIL GEQVSGAVTM AEESTDFPGV DATA SEQUENCE SRPQDMGGLG FWYKWNLGWM HDTLDYMKLD PVYRQYHHDK LTFGILYNYT DATA SEQUENCE ENFVLPLSHD EVVHGKKSIL DRMPGDAWQK FANLRAYYGW MWAFPGKKLL DATA SEQUENCE FMGNEFAQGR EWNHDASLDW HLLEGGDNWH HGVQRLVRDL NLTYRHHKAM DATA SEQUENCE HELDFDPYGF EWLVVDDKER SVLIFVRRDK EGNEIIVASN FTPVPRHDYR DATA SEQUENCE FGINQPGKWR EILNTDSMHY HGSNAGNGGT VHSDEIASHG RQHSLSLTLP DATA SEQUENCE PLATIWLVRE AE 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 117 T HA 0.000 nan 4.350 nan 0.000 0.228 117 T C 0.000 174.701 174.700 0.002 0.000 1.109 117 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 117 T CB 0.000 68.910 68.868 0.070 0.000 0.612 118 H N 1.184 120.237 119.070 -0.029 0.000 2.544 118 H HA 0.540 5.095 4.556 -0.000 0.000 0.269 118 H C 1.971 177.319 175.328 0.034 0.000 0.970 118 H CA 0.521 56.564 56.048 -0.008 0.000 1.219 118 H CB -0.294 29.468 29.762 -0.001 0.000 1.421 118 H HN 0.327 nan 8.280 nan 0.000 0.555 119 L N 0.075 120.987 121.223 -0.519 0.000 2.240 119 L HA 0.118 4.458 4.340 -0.000 0.000 0.211 119 L C 0.731 177.550 176.870 -0.084 0.000 1.106 119 L CA 0.729 55.356 54.840 -0.355 0.000 0.793 119 L CB 0.094 41.962 42.059 -0.319 0.000 0.927 119 L HN 0.238 nan 8.230 nan 0.000 0.446 120 R N -0.085 120.327 120.500 -0.147 0.000 2.748 120 R HA 0.170 4.510 4.340 -0.000 0.000 0.283 120 R C -1.798 174.258 176.300 -0.407 0.000 1.507 120 R CA -1.116 54.788 56.100 -0.326 0.000 1.666 120 R CB 0.607 30.625 30.300 -0.469 0.000 1.237 120 R HN -0.011 nan 8.270 nan 0.000 0.633 121 P HA -0.199 nan 4.420 nan 0.000 0.222 121 P C 0.698 177.844 177.300 -0.258 0.000 1.147 121 P CA 1.119 64.145 63.100 -0.122 0.000 0.790 121 P CB 0.074 31.814 31.700 0.067 0.000 0.780 122 Y N -0.432 119.876 120.300 0.012 0.000 2.632 122 Y HA 0.182 4.732 4.550 -0.000 0.000 0.301 122 Y C 1.723 177.707 175.900 0.139 0.000 1.172 122 Y CA 0.034 58.150 58.100 0.027 0.000 1.328 122 Y CB -1.397 37.153 38.460 0.149 0.000 1.016 122 Y HN -0.044 nan 8.280 nan 0.000 0.529 123 E N 0.284 120.245 120.200 -0.399 0.000 2.400 123 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 123 E C 1.411 177.725 176.600 -0.475 0.000 1.012 123 E CA 1.175 57.365 56.400 -0.350 0.000 0.875 123 E CB 0.284 29.727 29.700 -0.429 0.000 0.859 123 E HN 0.722 nan 8.360 nan 0.000 0.498 124 T N -1.623 112.749 114.554 -0.302 0.000 3.138 124 T HA 0.205 4.555 4.350 -0.000 0.000 0.245 124 T C 0.988 175.677 174.700 -0.018 0.000 0.982 124 T CA -0.386 61.563 62.100 -0.250 0.000 1.134 124 T CB -0.057 68.711 68.868 -0.167 0.000 1.032 124 T HN -0.115 nan 8.240 nan 0.000 0.442 125 L N 2.324 123.493 121.223 -0.090 0.000 2.467 125 L HA 0.488 4.828 4.340 -0.000 0.000 0.270 125 L C 1.428 178.325 176.870 0.045 0.000 1.205 125 L CA 1.004 55.760 54.840 -0.141 0.000 0.828 125 L CB -0.198 41.461 42.059 -0.666 0.000 1.101 125 L HN 0.873 nan 8.230 nan 0.000 0.479 126 G N 1.485 110.341 108.800 0.094 0.000 2.548 126 G HA2 0.029 3.989 3.960 -0.000 0.000 0.208 126 G HA3 0.029 3.989 3.960 -0.000 0.000 0.208 126 G C -0.872 174.009 174.900 -0.032 0.000 1.308 126 G CA -0.321 44.812 45.100 0.055 0.000 0.924 126 G HN 1.001 nan 8.290 nan 0.000 0.540 127 A N 0.559 123.192 122.820 -0.310 0.000 2.256 127 A HA 0.764 5.083 4.320 -0.000 0.000 0.317 127 A C -0.157 177.098 177.584 -0.548 0.000 1.318 127 A CA -0.304 51.362 52.037 -0.619 0.000 0.894 127 A CB 0.322 18.782 19.000 -0.901 0.000 1.165 127 A HN 0.867 nan 8.150 nan 0.000 0.525 128 H N 1.294 120.244 119.070 -0.200 0.000 2.622 128 H HA 0.587 5.143 4.556 -0.000 0.000 0.363 128 H C 0.181 175.438 175.328 -0.118 0.000 1.151 128 H CA -0.237 55.765 56.048 -0.076 0.000 1.184 128 H CB 2.170 31.927 29.762 -0.009 0.000 1.643 128 H HN 0.793 nan 8.280 nan 0.000 0.531 129 A N 1.933 124.785 122.820 0.053 0.000 2.425 129 A HA 0.323 4.642 4.320 -0.000 0.000 0.249 129 A C -0.135 177.505 177.584 0.094 0.000 1.084 129 A CA 0.267 52.323 52.037 0.031 0.000 0.781 129 A CB 0.140 19.158 19.000 0.031 0.000 1.019 129 A HN 0.734 nan 8.150 nan 0.000 0.490 130 D N -0.618 119.884 120.400 0.170 0.000 2.622 130 D HA 0.569 5.209 4.640 -0.000 0.000 0.255 130 D C -1.228 175.219 176.300 0.245 0.000 1.246 130 D CA -0.049 54.064 54.000 0.188 0.000 0.795 130 D CB 1.772 42.694 40.800 0.204 0.000 1.369 130 D HN 0.364 nan 8.370 nan 0.000 0.425 131 T N 1.647 116.212 114.554 0.018 0.000 2.812 131 T HA 0.485 4.835 4.350 -0.000 0.000 0.282 131 T C -0.354 174.161 174.700 -0.307 0.000 0.990 131 T CA -0.553 61.510 62.100 -0.061 0.000 0.960 131 T CB 0.901 69.757 68.868 -0.019 0.000 0.948 131 T HN 0.341 nan 8.240 nan 0.000 0.438 132 M N 3.470 122.778 119.600 -0.486 0.000 2.043 132 M HA 0.309 4.788 4.480 -0.000 0.000 0.322 132 M C -0.540 175.632 176.300 -0.213 0.000 0.962 132 M CA -0.117 54.881 55.300 -0.504 0.000 0.927 132 M CB 0.213 32.253 32.600 -0.933 0.000 1.466 132 M HN 0.751 nan 8.290 nan 0.000 0.412 133 D N 3.710 124.026 120.400 -0.140 0.000 2.708 133 D HA -0.186 4.453 4.640 -0.000 0.000 0.236 133 D C 0.782 177.058 176.300 -0.040 0.000 1.146 133 D CA 2.139 56.096 54.000 -0.072 0.000 0.662 133 D CB -0.854 39.913 40.800 -0.055 0.000 1.059 133 D HN 1.187 nan 8.370 nan 0.000 0.428 134 G N -2.329 106.448 108.800 -0.038 0.000 2.241 134 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 134 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 134 G C 0.339 175.248 174.900 0.015 0.000 0.998 134 G CA 0.067 45.161 45.100 -0.010 0.000 0.621 134 G HN 0.962 nan 8.290 nan 0.000 0.519 135 V N 3.115 123.045 119.914 0.027 0.000 2.364 135 V HA 0.596 4.716 4.120 -0.000 0.000 0.272 135 V C 0.995 177.201 176.094 0.186 0.000 1.036 135 V CA 0.052 62.412 62.300 0.099 0.000 0.880 135 V CB 0.905 32.813 31.823 0.143 0.000 0.991 135 V HN 0.670 nan 8.190 nan 0.000 0.460 136 T N 2.115 116.771 114.554 0.171 0.000 2.874 136 T HA 0.858 5.207 4.350 -0.000 0.000 0.281 136 T C 0.405 175.246 174.700 0.235 0.000 0.994 136 T CA 0.211 62.439 62.100 0.214 0.000 1.015 136 T CB 1.896 70.823 68.868 0.098 0.000 1.028 136 T HN 1.261 nan 8.240 nan 0.000 0.523 137 G N 0.011 108.912 108.800 0.169 0.000 2.399 137 G HA2 0.483 4.443 3.960 -0.000 0.000 0.256 137 G HA3 0.483 4.443 3.960 -0.000 0.000 0.256 137 G C -0.722 174.048 174.900 -0.216 0.000 1.236 137 G CA -0.156 44.834 45.100 -0.182 0.000 0.914 137 G HN 1.367 nan 8.290 nan 0.000 0.482 138 T N -1.702 112.545 114.554 -0.511 0.000 2.912 138 T HA 0.705 5.055 4.350 -0.000 0.000 0.299 138 T C -0.586 173.882 174.700 -0.386 0.000 1.052 138 T CA -0.433 61.418 62.100 -0.414 0.000 0.996 138 T CB 2.228 70.700 68.868 -0.661 0.000 1.070 138 T HN 0.737 nan 8.240 nan 0.000 0.465 139 R N 2.514 122.955 120.500 -0.098 0.000 2.254 139 R HA 0.585 4.925 4.340 -0.000 0.000 0.318 139 R C -1.310 174.980 176.300 -0.016 0.000 1.031 139 R CA -0.619 55.552 56.100 0.118 0.000 0.905 139 R CB 0.354 30.800 30.300 0.243 0.000 1.050 139 R HN 0.580 nan 8.270 nan 0.000 0.456 140 F N 1.558 121.537 119.950 0.047 0.000 2.436 140 F HA 0.410 4.937 4.527 -0.000 0.000 0.340 140 F C -0.041 175.882 175.800 0.204 0.000 1.113 140 F CA -0.424 57.645 58.000 0.115 0.000 1.022 140 F CB 2.371 41.449 39.000 0.131 0.000 1.128 140 F HN 0.363 nan 8.300 nan 0.000 0.466 141 S N 2.127 118.061 115.700 0.390 0.000 2.614 141 S HA 0.666 5.136 4.470 -0.000 0.000 0.288 141 S C -1.380 173.352 174.600 0.220 0.000 1.137 141 S CA -0.751 57.611 58.200 0.270 0.000 0.992 141 S CB 2.032 65.345 63.200 0.188 0.000 1.026 141 S HN 0.476 nan 8.310 nan 0.000 0.486 142 V N 4.051 124.053 119.914 0.147 0.000 2.623 142 V HA 0.597 4.717 4.120 -0.000 0.000 0.304 142 V C -1.740 174.543 176.094 0.315 0.000 1.054 142 V CA -0.660 61.694 62.300 0.090 0.000 0.882 142 V CB 1.468 32.977 31.823 -0.523 0.000 1.002 142 V HN 0.972 nan 8.190 nan 0.000 0.424 143 W N 7.343 128.742 121.300 0.164 0.000 2.356 143 W HA 0.651 5.311 4.660 -0.000 0.000 0.311 143 W C 0.099 176.786 176.519 0.280 0.000 1.328 143 W CA -0.112 57.338 57.345 0.174 0.000 1.251 143 W CB 1.029 30.550 29.460 0.103 0.000 1.280 143 W HN 0.878 nan 8.180 nan 0.000 0.524 144 A N 9.144 131.954 122.820 -0.016 0.000 3.306 144 A HA 0.201 4.520 4.320 -0.000 0.000 0.236 144 A C -1.591 176.037 177.584 0.073 0.000 1.182 144 A CA -0.584 51.442 52.037 -0.018 0.000 1.024 144 A CB -0.015 19.136 19.000 0.252 0.000 1.384 144 A HN 0.473 nan 8.150 nan 0.000 0.751 145 P HA -0.180 nan 4.420 nan 0.000 0.220 145 P C 0.384 177.666 177.300 -0.030 0.000 1.144 145 P CA 1.328 64.361 63.100 -0.112 0.000 0.800 145 P CB 0.178 31.808 31.700 -0.118 0.000 0.772 146 N N -1.084 117.603 118.700 -0.021 0.000 2.187 146 N HA 0.162 4.902 4.740 -0.000 0.000 0.212 146 N C 1.604 177.154 175.510 0.066 0.000 1.152 146 N CA 0.346 53.402 53.050 0.010 0.000 0.872 146 N CB 0.156 38.621 38.487 -0.037 0.000 1.025 146 N HN 0.048 nan 8.380 nan 0.000 0.514 147 A N 1.858 124.772 122.820 0.157 0.000 1.927 147 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 147 A C 1.719 179.370 177.584 0.111 0.000 1.185 147 A CA 2.246 54.357 52.037 0.123 0.000 0.639 147 A CB -0.378 18.720 19.000 0.165 0.000 0.820 147 A HN 0.479 nan 8.150 nan 0.000 0.451 148 R N -3.769 116.904 120.500 0.290 0.000 2.707 148 R HA -0.188 4.151 4.340 -0.000 0.000 0.241 148 R C 0.191 176.620 176.300 0.215 0.000 0.746 148 R CA 1.682 57.906 56.100 0.207 0.000 1.713 148 R CB -0.785 29.555 30.300 0.066 0.000 1.214 148 R HN 0.590 nan 8.270 nan 0.000 0.559 149 R N 0.503 120.969 120.500 -0.056 0.000 2.633 149 R HA 0.457 4.797 4.340 -0.000 0.000 0.256 149 R C -2.039 173.886 176.300 -0.625 0.000 1.131 149 R CA -0.013 55.913 56.100 -0.291 0.000 0.994 149 R CB 2.145 32.382 30.300 -0.104 0.000 1.261 149 R HN -0.004 nan 8.270 nan 0.000 0.446 150 V N 2.215 121.570 119.914 -0.931 0.000 2.777 150 V HA 0.545 4.665 4.120 -0.000 0.000 0.306 150 V C -0.438 175.449 176.094 -0.345 0.000 1.112 150 V CA -0.706 61.171 62.300 -0.706 0.000 0.917 150 V CB 2.380 33.559 31.823 -1.074 0.000 1.018 150 V HN 0.797 nan 8.190 nan 0.000 0.426 151 S N 2.023 117.642 115.700 -0.135 0.000 2.600 151 S HA 0.769 5.239 4.470 -0.000 0.000 0.300 151 S C -0.668 173.965 174.600 0.055 0.000 1.087 151 S CA -0.640 57.551 58.200 -0.015 0.000 0.965 151 S CB 2.258 65.455 63.200 -0.005 0.000 1.089 151 S HN 0.494 nan 8.310 nan 0.000 0.496 152 V N 2.760 122.686 119.914 0.021 0.000 2.370 152 V HA 0.510 4.630 4.120 -0.000 0.000 0.279 152 V C -0.225 175.815 176.094 -0.090 0.000 1.029 152 V CA -0.617 61.627 62.300 -0.093 0.000 0.870 152 V CB 0.985 32.533 31.823 -0.458 0.000 0.984 152 V HN 0.688 nan 8.190 nan 0.000 0.451 153 V N 2.409 122.260 119.914 -0.106 0.000 2.495 153 V HA 1.114 5.233 4.120 -0.000 0.000 0.298 153 V C 0.160 175.836 176.094 -0.695 0.000 1.031 153 V CA 0.063 62.244 62.300 -0.198 0.000 0.871 153 V CB 1.093 32.997 31.823 0.135 0.000 0.988 153 V HN 1.039 nan 8.190 nan 0.000 0.432 154 G N 2.752 110.602 108.800 -1.583 0.000 2.548 154 G HA2 0.370 4.330 3.960 -0.000 0.000 0.301 154 G HA3 0.370 4.330 3.960 -0.000 0.000 0.301 154 G C -0.350 173.056 174.900 -2.489 0.000 1.349 154 G CA -0.226 43.355 45.100 -2.533 0.000 0.792 154 G HN 0.572 nan 8.290 nan 0.000 0.481 155 Q N -0.867 117.879 119.800 -1.757 0.000 2.234 155 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 155 Q C 2.061 177.511 176.000 -0.916 0.000 0.980 155 Q CA 2.117 57.312 55.803 -1.014 0.000 0.869 155 Q CB -0.295 28.190 28.738 -0.421 0.000 0.912 155 Q HN 0.633 nan 8.270 nan 0.000 0.436 156 F N -1.071 118.536 119.950 -0.572 0.000 2.456 156 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 156 F C 1.392 176.958 175.800 -0.390 0.000 1.104 156 F CA 0.443 58.188 58.000 -0.425 0.000 1.435 156 F CB -0.236 38.578 39.000 -0.310 0.000 1.078 156 F HN -0.079 nan 8.300 nan 0.000 0.546 157 N N -1.452 116.821 118.700 -0.711 0.000 2.388 157 N HA -0.011 4.729 4.740 -0.000 0.000 0.176 157 N C -0.396 175.015 175.510 -0.166 0.000 1.062 157 N CA 0.446 53.318 53.050 -0.297 0.000 0.895 157 N CB -0.191 38.069 38.487 -0.379 0.000 1.018 157 N HN 0.260 nan 8.380 nan 0.000 0.456 158 Y N -2.258 117.821 120.300 -0.368 0.000 4.457 158 Y HA -0.257 4.292 4.550 -0.000 0.000 0.240 158 Y C -0.585 175.308 175.900 -0.011 0.000 1.133 158 Y CA 0.285 58.295 58.100 -0.149 0.000 2.074 158 Y CB -2.547 35.900 38.460 -0.022 0.000 1.625 158 Y HN 0.202 nan 8.280 nan 0.000 0.704 159 W N -1.018 120.202 121.300 -0.133 0.000 4.435 159 W HA -0.230 4.429 4.660 -0.000 0.000 0.351 159 W C 0.223 176.712 176.519 -0.052 0.000 1.319 159 W CA 0.970 58.239 57.345 -0.126 0.000 0.791 159 W CB -1.086 28.314 29.460 -0.099 0.000 2.419 159 W HN 0.368 nan 8.180 nan 0.000 1.406 160 D N -0.117 120.339 120.400 0.093 0.000 2.453 160 D HA 0.454 5.094 4.640 -0.000 0.000 0.238 160 D C 1.156 177.494 176.300 0.064 0.000 1.088 160 D CA 0.372 54.427 54.000 0.092 0.000 0.854 160 D CB 0.895 41.755 40.800 0.101 0.000 1.076 160 D HN 0.040 nan 8.370 nan 0.000 0.533 161 G N 3.309 112.142 108.800 0.056 0.000 2.712 161 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.212 161 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.212 161 G C 1.442 176.363 174.900 0.035 0.000 1.142 161 G CA 0.022 45.155 45.100 0.055 0.000 0.789 161 G HN 0.535 nan 8.290 nan 0.000 0.535 162 R N 0.616 121.126 120.500 0.017 0.000 2.170 162 R HA -0.057 4.283 4.340 -0.000 0.000 0.242 162 R C 2.044 178.320 176.300 -0.040 0.000 1.145 162 R CA 0.764 56.861 56.100 -0.005 0.000 0.984 162 R CB -0.509 29.789 30.300 -0.004 0.000 0.869 162 R HN 0.176 nan 8.270 nan 0.000 0.455 163 R N 0.556 121.024 120.500 -0.054 0.000 2.082 163 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 163 R C 0.333 176.346 176.300 -0.477 0.000 1.136 163 R CA 1.336 57.297 56.100 -0.232 0.000 0.935 163 R CB -0.333 29.904 30.300 -0.104 0.000 0.842 163 R HN 0.526 nan 8.270 nan 0.000 0.430 164 H N 0.163 119.242 119.070 0.014 0.000 2.791 164 H HA 0.352 4.908 4.556 -0.000 0.000 0.272 164 H C -2.334 173.001 175.328 0.013 0.000 1.188 164 H CA -2.235 53.820 56.048 0.012 0.000 1.436 164 H CB 1.478 31.233 29.762 -0.012 0.000 1.467 164 H HN 0.052 nan 8.280 nan 0.000 0.500 165 P HA 0.148 nan 4.420 nan 0.000 0.278 165 P C 0.211 177.597 177.300 0.142 0.000 1.238 165 P CA -0.239 62.913 63.100 0.086 0.000 0.794 165 P CB 1.120 32.865 31.700 0.075 0.000 0.955 166 M N 1.997 121.694 119.600 0.162 0.000 2.367 166 M HA 0.360 4.840 4.480 -0.000 0.000 0.339 166 M C 0.605 177.198 176.300 0.488 0.000 1.177 166 M CA -0.568 54.908 55.300 0.294 0.000 1.068 166 M CB 1.256 34.025 32.600 0.281 0.000 1.602 166 M HN 0.126 nan 8.290 nan 0.000 0.457 167 R N 3.221 123.956 120.500 0.390 0.000 2.229 167 R HA 0.362 4.701 4.340 -0.000 0.000 0.332 167 R C -1.319 175.032 176.300 0.084 0.000 0.989 167 R CA -0.473 55.777 56.100 0.250 0.000 0.842 167 R CB 0.725 31.109 30.300 0.139 0.000 1.119 167 R HN 0.722 nan 8.270 nan 0.000 0.456 168 L N 5.353 126.372 121.223 -0.339 0.000 2.360 168 L HA 0.273 4.613 4.340 -0.000 0.000 0.276 168 L C -0.099 176.498 176.870 -0.455 0.000 1.121 168 L CA 0.142 54.401 54.840 -0.967 0.000 0.845 168 L CB 0.563 41.500 42.059 -1.870 0.000 1.143 168 L HN 0.609 nan 8.230 nan 0.000 0.452 169 R N 4.883 125.181 120.500 -0.336 0.000 2.565 169 R HA 0.155 4.495 4.340 -0.000 0.000 0.286 169 R C 0.937 177.134 176.300 -0.172 0.000 1.256 169 R CA -0.325 55.671 56.100 -0.173 0.000 1.238 169 R CB 0.419 30.669 30.300 -0.082 0.000 1.153 169 R HN 0.738 nan 8.270 nan 0.000 0.553 170 K N 1.711 122.005 120.400 -0.177 0.000 2.127 170 K HA -0.281 4.038 4.320 -0.000 0.000 0.212 170 K C 1.057 177.615 176.600 -0.071 0.000 1.050 170 K CA 2.424 58.631 56.287 -0.133 0.000 0.929 170 K CB 0.093 32.531 32.500 -0.103 0.000 0.715 170 K HN 0.579 nan 8.250 nan 0.000 0.457 171 E N 0.093 120.261 120.200 -0.052 0.000 2.085 171 E HA -0.181 4.168 4.350 -0.000 0.000 0.194 171 E C 2.030 178.629 176.600 -0.003 0.000 0.994 171 E CA 1.899 58.284 56.400 -0.024 0.000 0.801 171 E CB -0.054 29.633 29.700 -0.023 0.000 0.743 171 E HN 0.405 nan 8.360 nan 0.000 0.453 172 S N -1.912 113.789 115.700 0.002 0.000 2.505 172 S HA 0.310 4.780 4.470 -0.000 0.000 0.216 172 S C 1.701 176.387 174.600 0.143 0.000 1.018 172 S CA 0.141 58.372 58.200 0.052 0.000 0.911 172 S CB 0.766 63.987 63.200 0.036 0.000 0.818 172 S HN 0.399 nan 8.310 nan 0.000 0.497 173 G N 1.331 110.161 108.800 0.051 0.000 2.162 173 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.260 173 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.260 173 G C -0.043 174.906 174.900 0.081 0.000 0.976 173 G CA 0.364 45.490 45.100 0.043 0.000 0.655 173 G HN 0.598 nan 8.290 nan 0.000 0.533 174 I N -0.144 120.480 120.570 0.090 0.000 2.385 174 I HA 0.490 4.660 4.170 -0.000 0.000 0.294 174 I C 0.204 176.335 176.117 0.023 0.000 0.988 174 I CA -0.964 60.432 61.300 0.160 0.000 1.265 174 I CB 0.761 38.863 38.000 0.170 0.000 1.388 174 I HN 0.084 nan 8.210 nan 0.000 0.480 175 W N 5.737 127.080 121.300 0.071 0.000 2.390 175 W HA 0.435 5.094 4.660 -0.000 0.000 0.312 175 W C 0.007 176.573 176.519 0.078 0.000 1.123 175 W CA -0.331 57.045 57.345 0.051 0.000 1.202 175 W CB 0.880 30.345 29.460 0.009 0.000 1.251 175 W HN 0.389 nan 8.180 nan 0.000 0.511 176 E N 2.147 122.538 120.200 0.318 0.000 2.393 176 E HA 0.824 5.173 4.350 -0.000 0.000 0.273 176 E C -1.964 174.800 176.600 0.273 0.000 0.918 176 E CA -1.396 55.169 56.400 0.273 0.000 0.773 176 E CB 2.566 32.385 29.700 0.198 0.000 1.275 176 E HN 0.367 nan 8.360 nan 0.000 0.451 177 L N 1.379 122.776 121.223 0.289 0.000 2.705 177 L HA 0.427 4.767 4.340 -0.000 0.000 0.260 177 L C -2.098 174.951 176.870 0.298 0.000 0.921 177 L CA -0.501 54.498 54.840 0.264 0.000 0.948 177 L CB 1.812 43.994 42.059 0.206 0.000 1.427 177 L HN 0.697 nan 8.230 nan 0.000 0.432 178 F N 6.239 126.280 119.950 0.152 0.000 2.411 178 F HA 0.738 5.264 4.527 -0.000 0.000 0.350 178 F C -0.662 175.195 175.800 0.094 0.000 1.114 178 F CA -0.314 57.758 58.000 0.120 0.000 1.135 178 F CB 0.732 39.775 39.000 0.072 0.000 1.120 178 F HN 0.373 nan 8.300 nan 0.000 0.495 179 I N 8.798 128.891 120.570 -0.795 0.000 2.410 179 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 179 I C -2.262 173.301 176.117 -0.923 0.000 1.009 179 I CA -2.237 58.668 61.300 -0.657 0.000 1.111 179 I CB 1.883 39.480 38.000 -0.672 0.000 1.262 179 I HN 0.435 nan 8.210 nan 0.000 0.443 180 P HA 0.151 nan 4.420 nan 0.000 0.275 180 P C 0.700 177.905 177.300 -0.159 0.000 1.227 180 P CA 0.566 63.542 63.100 -0.207 0.000 0.781 180 P CB 1.537 33.324 31.700 0.144 0.000 0.906 181 G N 2.080 110.821 108.800 -0.099 0.000 2.336 181 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.233 181 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.233 181 G C 0.408 175.288 174.900 -0.032 0.000 1.053 181 G CA 0.100 45.178 45.100 -0.037 0.000 0.625 181 G HN 0.869 nan 8.290 nan 0.000 0.511 182 A N 2.497 125.146 122.820 -0.285 0.000 2.492 182 A HA 0.584 4.904 4.320 -0.000 0.000 0.254 182 A C 0.587 178.038 177.584 -0.221 0.000 1.091 182 A CA 0.963 52.714 52.037 -0.476 0.000 0.768 182 A CB -0.225 18.148 19.000 -1.045 0.000 1.028 182 A HN 1.503 nan 8.150 nan 0.000 0.498 183 H N 1.236 120.186 119.070 -0.199 0.000 2.941 183 H HA 0.439 4.995 4.556 -0.000 0.000 0.344 183 H C -0.900 174.388 175.328 -0.067 0.000 1.235 183 H CA -1.415 54.559 56.048 -0.122 0.000 1.149 183 H CB 0.280 30.006 29.762 -0.060 0.000 1.885 183 H HN 0.513 nan 8.280 nan 0.000 0.558 184 N N -0.474 118.217 118.700 -0.015 0.000 2.412 184 N HA 0.214 4.954 4.740 -0.000 0.000 0.254 184 N C 1.396 176.881 175.510 -0.041 0.000 1.232 184 N CA 1.955 54.994 53.050 -0.018 0.000 0.880 184 N CB 0.560 39.080 38.487 0.055 0.000 1.076 184 N HN 0.958 nan 8.380 nan 0.000 0.458 185 G N 0.926 109.715 108.800 -0.020 0.000 2.253 185 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.209 185 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.209 185 G C -0.119 174.768 174.900 -0.022 0.000 0.997 185 G CA -0.375 44.728 45.100 0.004 0.000 0.640 185 G HN 0.563 nan 8.290 nan 0.000 0.496 186 Q N 0.143 119.891 119.800 -0.086 0.000 2.230 186 Q HA 0.719 5.058 4.340 -0.000 0.000 0.248 186 Q C 0.028 176.115 176.000 0.146 0.000 0.915 186 Q CA -0.515 55.283 55.803 -0.008 0.000 0.900 186 Q CB 1.800 30.518 28.738 -0.033 0.000 1.229 186 Q HN 0.373 nan 8.270 nan 0.000 0.439 187 L N 2.896 124.193 121.223 0.122 0.000 2.334 187 L HA 0.486 4.826 4.340 -0.000 0.000 0.277 187 L C -0.629 176.320 176.870 0.132 0.000 1.075 187 L CA -0.628 54.326 54.840 0.191 0.000 0.804 187 L CB 0.189 42.402 42.059 0.258 0.000 1.174 187 L HN 0.663 nan 8.230 nan 0.000 0.438 188 Y N 1.055 121.401 120.300 0.077 0.000 2.728 188 Y HA 0.807 5.357 4.550 -0.000 0.000 0.330 188 Y C -1.141 174.817 175.900 0.095 0.000 1.234 188 Y CA -1.436 56.618 58.100 -0.077 0.000 1.070 188 Y CB 1.651 40.161 38.460 0.084 0.000 1.300 188 Y HN 0.372 nan 8.280 nan 0.000 0.467 189 K N -0.332 120.085 120.400 0.027 0.000 2.571 189 K HA 0.425 4.744 4.320 -0.000 0.000 0.289 189 K C -2.319 174.204 176.600 -0.130 0.000 1.028 189 K CA -0.972 55.249 56.287 -0.110 0.000 0.895 189 K CB 2.544 35.100 32.500 0.093 0.000 1.534 189 K HN 0.740 nan 8.250 nan 0.000 0.421 190 Y N 1.054 121.430 120.300 0.127 0.000 2.328 190 Y HA 0.200 4.750 4.550 -0.000 0.000 0.337 190 Y C -0.036 175.843 175.900 -0.034 0.000 0.966 190 Y CA -0.525 57.608 58.100 0.054 0.000 1.136 190 Y CB 1.688 40.191 38.460 0.071 0.000 1.170 190 Y HN 0.447 nan 8.280 nan 0.000 0.470 191 E N 6.431 126.681 120.200 0.083 0.000 2.014 191 E HA 0.305 4.655 4.350 -0.000 0.000 0.275 191 E C -0.797 175.750 176.600 -0.089 0.000 0.997 191 E CA -0.559 55.838 56.400 -0.005 0.000 0.804 191 E CB 0.408 30.110 29.700 0.004 0.000 1.090 191 E HN 0.725 nan 8.360 nan 0.000 0.401 192 M N 2.660 122.177 119.600 -0.138 0.000 2.654 192 M HA 0.514 4.994 4.480 -0.000 0.000 0.310 192 M C -0.918 175.275 176.300 -0.178 0.000 1.211 192 M CA -0.930 54.237 55.300 -0.223 0.000 0.947 192 M CB 1.545 33.965 32.600 -0.299 0.000 1.647 192 M HN 0.179 nan 8.290 nan 0.000 0.481 193 I N 2.449 122.912 120.570 -0.180 0.000 2.405 193 I HA 0.282 4.451 4.170 -0.000 0.000 0.280 193 I C -0.437 175.615 176.117 -0.109 0.000 1.027 193 I CA -0.319 60.909 61.300 -0.121 0.000 1.161 193 I CB 0.292 38.240 38.000 -0.088 0.000 1.300 193 I HN 0.795 nan 8.210 nan 0.000 0.463 194 D N 4.025 124.358 120.400 -0.112 0.000 2.703 194 D HA -0.135 4.505 4.640 -0.000 0.000 0.220 194 D C 1.254 177.518 176.300 -0.061 0.000 1.188 194 D CA 0.579 54.520 54.000 -0.098 0.000 0.862 194 D CB 0.941 41.686 40.800 -0.092 0.000 1.223 194 D HN 0.674 nan 8.370 nan 0.000 0.524 195 A N 2.844 125.633 122.820 -0.052 0.000 2.172 195 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 195 A C 1.383 178.950 177.584 -0.028 0.000 1.154 195 A CA 0.868 52.888 52.037 -0.027 0.000 0.701 195 A CB -0.098 18.884 19.000 -0.029 0.000 0.789 195 A HN 0.508 nan 8.150 nan 0.000 0.465 196 N N -1.011 117.664 118.700 -0.041 0.000 2.236 196 N HA 0.169 4.909 4.740 -0.000 0.000 0.196 196 N C 0.988 176.475 175.510 -0.039 0.000 1.114 196 N CA 0.894 53.921 53.050 -0.038 0.000 0.859 196 N CB 0.660 39.120 38.487 -0.045 0.000 0.982 196 N HN 0.575 nan 8.380 nan 0.000 0.493 197 G N 1.193 109.967 108.800 -0.043 0.000 2.132 197 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.228 197 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.228 197 G C -0.425 174.443 174.900 -0.055 0.000 1.000 197 G CA -0.486 44.588 45.100 -0.042 0.000 0.693 197 G HN 0.247 nan 8.290 nan 0.000 0.515 198 N N 0.101 118.758 118.700 -0.070 0.000 2.438 198 N HA 0.386 5.125 4.740 -0.000 0.000 0.282 198 N C -0.009 175.443 175.510 -0.097 0.000 1.037 198 N CA -0.501 52.499 53.050 -0.084 0.000 0.942 198 N CB 1.876 40.304 38.487 -0.097 0.000 1.136 198 N HN 0.249 nan 8.380 nan 0.000 0.481 199 L N 3.425 124.593 121.223 -0.090 0.000 2.369 199 L HA 0.208 4.548 4.340 -0.000 0.000 0.279 199 L C -0.143 176.661 176.870 -0.110 0.000 1.108 199 L CA -0.005 54.780 54.840 -0.093 0.000 0.852 199 L CB 0.013 42.028 42.059 -0.073 0.000 1.169 199 L HN 0.284 nan 8.230 nan 0.000 0.452 200 R N 5.806 126.230 120.500 -0.125 0.000 2.686 200 R HA 0.519 4.858 4.340 -0.000 0.000 0.286 200 R C -1.185 175.045 176.300 -0.117 0.000 0.969 200 R CA -0.847 55.170 56.100 -0.139 0.000 0.898 200 R CB 2.183 32.374 30.300 -0.182 0.000 1.183 200 R HN 0.601 nan 8.270 nan 0.000 0.456 201 L N 3.932 125.099 121.223 -0.093 0.000 2.262 201 L HA 0.392 4.732 4.340 -0.000 0.000 0.288 201 L C -0.058 176.787 176.870 -0.043 0.000 1.035 201 L CA -0.719 54.088 54.840 -0.055 0.000 0.820 201 L CB 0.839 42.863 42.059 -0.058 0.000 1.204 201 L HN 0.178 nan 8.230 nan 0.000 0.424 202 K N 2.218 122.611 120.400 -0.011 0.000 2.164 202 K HA 0.521 4.841 4.320 -0.000 0.000 0.258 202 K C -0.406 176.287 176.600 0.156 0.000 0.951 202 K CA -0.619 55.693 56.287 0.040 0.000 0.844 202 K CB 2.139 34.565 32.500 -0.122 0.000 1.099 202 K HN 0.330 nan 8.250 nan 0.000 0.435 203 S N 0.979 116.783 115.700 0.174 0.000 2.632 203 S HA 0.096 4.565 4.470 -0.000 0.000 0.271 203 S C -0.256 174.499 174.600 0.259 0.000 1.260 203 S CA -0.614 57.643 58.200 0.095 0.000 1.010 203 S CB 0.859 64.082 63.200 0.038 0.000 0.965 203 S HN 0.438 nan 8.310 nan 0.000 0.534 204 D N 2.134 122.624 120.400 0.150 0.000 2.348 204 D HA 0.156 4.795 4.640 -0.000 0.000 0.253 204 D C -1.329 175.072 176.300 0.168 0.000 1.161 204 D CA -1.816 52.387 54.000 0.340 0.000 0.876 204 D CB 1.188 42.176 40.800 0.313 0.000 1.160 204 D HN 0.145 nan 8.370 nan 0.000 0.459 205 P HA -0.115 nan 4.420 nan 0.000 0.226 205 P C 0.337 177.603 177.300 -0.057 0.000 1.153 205 P CA 0.779 63.840 63.100 -0.066 0.000 0.777 205 P CB 0.087 31.530 31.700 -0.428 0.000 0.794 206 Y N 0.012 120.275 120.300 -0.062 0.000 2.708 206 Y HA 0.438 4.988 4.550 -0.000 0.000 0.287 206 Y C 1.079 176.524 175.900 -0.757 0.000 1.145 206 Y CA -0.732 57.119 58.100 -0.415 0.000 1.249 206 Y CB -0.300 37.931 38.460 -0.382 0.000 1.152 206 Y HN -0.115 nan 8.280 nan 0.000 0.532 207 A N -0.122 122.523 122.820 -0.290 0.000 2.491 207 A HA 0.196 4.515 4.320 -0.000 0.000 0.261 207 A C 0.108 177.545 177.584 -0.244 0.000 1.101 207 A CA -0.067 51.780 52.037 -0.317 0.000 0.772 207 A CB -0.245 18.693 19.000 -0.103 0.000 1.043 207 A HN 0.453 nan 8.150 nan 0.000 0.501 208 F N 0.645 120.684 119.950 0.149 0.000 2.797 208 F HA 0.281 4.808 4.527 -0.000 0.000 0.302 208 F C 0.963 176.903 175.800 0.233 0.000 1.130 208 F CA 0.597 58.725 58.000 0.213 0.000 1.387 208 F CB -0.211 38.919 39.000 0.216 0.000 1.107 208 F HN 0.702 nan 8.300 nan 0.000 0.577 209 E N -0.629 119.724 120.200 0.256 0.000 2.649 209 E HA 0.565 4.915 4.350 -0.000 0.000 0.308 209 E C -1.336 175.324 176.600 0.101 0.000 1.017 209 E CA -0.363 56.158 56.400 0.201 0.000 0.848 209 E CB 1.044 30.877 29.700 0.222 0.000 1.240 209 E HN -0.009 nan 8.360 nan 0.000 0.421 210 A N 2.918 125.776 122.820 0.064 0.000 2.858 210 A HA 0.874 5.194 4.320 -0.000 0.000 0.232 210 A C -0.641 176.941 177.584 -0.003 0.000 1.258 210 A CA -0.044 51.997 52.037 0.008 0.000 0.909 210 A CB 1.300 20.295 19.000 -0.008 0.000 1.491 210 A HN 0.636 nan 8.150 nan 0.000 0.472 215 E N -0.910 119.216 120.200 -0.123 0.000 4.145 215 E HA -0.252 4.098 4.350 -0.000 0.000 0.296 215 E C 0.460 176.981 176.600 -0.130 0.000 0.666 215 E CA 3.709 60.012 56.400 -0.161 0.000 1.214 215 E CB -2.238 27.305 29.700 -0.262 0.000 1.679 215 E HN 1.264 nan 8.360 nan 0.000 0.406 216 T N -4.161 110.329 114.554 -0.106 0.000 4.096 216 T HA -0.235 4.115 4.350 -0.000 0.000 0.343 216 T C 0.338 174.986 174.700 -0.088 0.000 0.756 216 T CA 1.102 63.151 62.100 -0.087 0.000 1.914 216 T CB -2.361 66.466 68.868 -0.068 0.000 1.873 216 T HN 1.205 nan 8.240 nan 0.000 0.850 217 A N 0.776 123.540 122.820 -0.094 0.000 2.429 217 A HA 0.619 4.939 4.320 -0.000 0.000 0.242 217 A C 0.805 178.305 177.584 -0.139 0.000 1.088 217 A CA 0.198 52.179 52.037 -0.092 0.000 0.784 217 A CB 0.373 19.389 19.000 0.026 0.000 1.038 217 A HN 1.018 nan 8.150 nan 0.000 0.501 218 S N -0.447 115.059 115.700 -0.323 0.000 2.578 218 S HA 0.547 5.017 4.470 -0.000 0.000 0.283 218 S C -0.429 174.009 174.600 -0.270 0.000 1.195 218 S CA -0.424 57.538 58.200 -0.396 0.000 1.050 218 S CB 1.081 63.826 63.200 -0.758 0.000 1.012 218 S HN 0.631 nan 8.310 nan 0.000 0.511 219 L N 3.355 124.577 121.223 -0.002 0.000 2.329 219 L HA 0.598 4.938 4.340 -0.000 0.000 0.279 219 L C -1.016 176.019 176.870 0.276 0.000 1.014 219 L CA -0.846 54.090 54.840 0.159 0.000 0.814 219 L CB 0.766 42.895 42.059 0.117 0.000 1.257 219 L HN 0.616 nan 8.230 nan 0.000 0.424 220 I N 4.504 125.241 120.570 0.280 0.000 2.496 220 I HA 0.272 4.442 4.170 -0.000 0.000 0.285 220 I C -0.348 175.825 176.117 0.094 0.000 1.080 220 I CA -0.125 61.248 61.300 0.122 0.000 1.404 220 I CB 0.422 38.373 38.000 -0.082 0.000 1.403 220 I HN 0.717 nan 8.210 nan 0.000 0.539 221 C N 2.708 122.080 119.300 0.120 0.000 3.289 221 C HA 0.647 5.106 4.460 -0.000 0.000 0.354 221 C C 0.407 175.502 174.990 0.175 0.000 1.201 221 C CA -0.843 58.259 59.018 0.140 0.000 1.199 221 C CB 0.439 28.295 27.740 0.193 0.000 1.511 221 C HN 0.907 nan 8.230 nan 0.000 0.506 222 G N 0.420 109.276 108.800 0.093 0.000 2.928 222 G HA2 0.582 4.542 3.960 -0.000 0.000 0.163 222 G HA3 0.582 4.542 3.960 -0.000 0.000 0.163 222 G C -0.899 173.933 174.900 -0.114 0.000 1.573 222 G CA -0.334 44.795 45.100 0.049 0.000 1.084 222 G HN 0.708 nan 8.290 nan 0.000 0.569 223 L N 1.861 122.996 121.223 -0.147 0.000 2.325 223 L HA 0.455 4.795 4.340 -0.000 0.000 0.278 223 L C -1.668 175.109 176.870 -0.156 0.000 1.023 223 L CA -1.834 52.859 54.840 -0.246 0.000 0.811 223 L CB 1.375 43.352 42.059 -0.137 0.000 1.249 223 L HN 0.302 nan 8.230 nan 0.000 0.431 224 P HA 0.072 nan 4.420 nan 0.000 0.271 224 P C 0.323 177.502 177.300 -0.201 0.000 1.244 224 P CA -0.349 62.597 63.100 -0.256 0.000 0.793 224 P CB 1.047 32.433 31.700 -0.524 0.000 0.984 225 E N 1.317 121.422 120.200 -0.157 0.000 1.969 225 E HA -0.158 4.192 4.350 -0.000 0.000 0.222 225 E C 0.105 176.636 176.600 -0.115 0.000 0.996 225 E CA 1.775 58.109 56.400 -0.111 0.000 0.886 225 E CB -0.146 29.501 29.700 -0.088 0.000 0.810 225 E HN 0.530 nan 8.360 nan 0.000 0.545 226 K N -1.556 118.770 120.400 -0.124 0.000 2.726 226 K HA 0.137 4.457 4.320 -0.000 0.000 0.301 226 K C -2.016 174.534 176.600 -0.083 0.000 1.202 226 K CA -0.134 56.095 56.287 -0.098 0.000 1.074 226 K CB 0.237 32.705 32.500 -0.055 0.000 1.395 226 K HN 0.073 nan 8.250 nan 0.000 0.428 227 V N 3.793 123.658 119.914 -0.081 0.000 2.439 227 V HA 0.398 4.518 4.120 -0.000 0.000 0.282 227 V C 0.277 176.339 176.094 -0.054 0.000 1.039 227 V CA -0.895 61.368 62.300 -0.061 0.000 0.913 227 V CB 1.510 33.307 31.823 -0.043 0.000 0.983 227 V HN 0.446 nan 8.190 nan 0.000 0.460 228 V N 4.455 124.334 119.914 -0.058 0.000 2.546 228 V HA 0.243 4.363 4.120 -0.000 0.000 0.284 228 V C 0.244 176.286 176.094 -0.088 0.000 1.050 228 V CA -0.268 61.994 62.300 -0.063 0.000 0.981 228 V CB 1.383 33.171 31.823 -0.057 0.000 0.990 228 V HN 0.993 nan 8.190 nan 0.000 0.474 229 Q N 3.261 123.004 119.800 -0.095 0.000 2.296 229 Q HA 0.342 4.682 4.340 -0.000 0.000 0.257 229 Q C 0.336 176.259 176.000 -0.129 0.000 0.942 229 Q CA -0.557 55.164 55.803 -0.135 0.000 0.939 229 Q CB 1.143 29.803 28.738 -0.130 0.000 1.198 229 Q HN 0.955 nan 8.270 nan 0.000 0.429 230 T N 1.057 115.516 114.554 -0.159 0.000 2.802 230 T HA 0.088 4.438 4.350 -0.000 0.000 0.305 230 T C 0.813 175.444 174.700 -0.115 0.000 1.053 230 T CA -0.616 61.406 62.100 -0.129 0.000 1.058 230 T CB 0.711 69.493 68.868 -0.144 0.000 0.988 230 T HN 0.622 nan 8.240 nan 0.000 0.539 231 E N 0.685 120.832 120.200 -0.088 0.000 2.216 231 E HA -0.051 4.298 4.350 -0.000 0.000 0.192 231 E C 1.965 178.519 176.600 -0.078 0.000 0.988 231 E CA 0.748 57.105 56.400 -0.073 0.000 0.834 231 E CB -0.196 29.471 29.700 -0.054 0.000 0.772 231 E HN 0.740 nan 8.360 nan 0.000 0.479 232 E N 1.001 121.147 120.200 -0.089 0.000 2.017 232 E HA -0.121 4.228 4.350 -0.000 0.000 0.193 232 E C 2.123 178.658 176.600 -0.109 0.000 0.997 232 E CA 1.191 57.537 56.400 -0.090 0.000 0.804 232 E CB -0.170 29.472 29.700 -0.097 0.000 0.757 232 E HN 0.139 nan 8.360 nan 0.000 0.448 233 R N 0.535 120.942 120.500 -0.155 0.000 2.115 233 R HA -0.028 4.312 4.340 -0.000 0.000 0.230 233 R C 2.199 178.414 176.300 -0.142 0.000 1.111 233 R CA 1.118 57.106 56.100 -0.187 0.000 0.976 233 R CB -0.139 29.987 30.300 -0.290 0.000 0.870 233 R HN 0.080 nan 8.270 nan 0.000 0.445 234 K N 0.795 121.121 120.400 -0.123 0.000 2.025 234 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 234 K C 2.088 178.644 176.600 -0.073 0.000 1.049 234 K CA 1.116 57.340 56.287 -0.105 0.000 0.933 234 K CB -0.054 32.391 32.500 -0.091 0.000 0.714 234 K HN 0.035 nan 8.250 nan 0.000 0.438 235 K N 0.988 121.353 120.400 -0.057 0.000 2.097 235 K HA -0.103 4.216 4.320 -0.000 0.000 0.206 235 K C 2.012 178.608 176.600 -0.007 0.000 1.049 235 K CA 1.195 57.465 56.287 -0.029 0.000 0.933 235 K CB -0.080 32.402 32.500 -0.029 0.000 0.717 235 K HN 0.120 nan 8.250 nan 0.000 0.442 236 A N 1.007 123.818 122.820 -0.016 0.000 2.125 236 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 236 A C 1.439 179.113 177.584 0.150 0.000 1.156 236 A CA 1.504 53.565 52.037 0.040 0.000 0.671 236 A CB -0.490 18.492 19.000 -0.030 0.000 0.794 236 A HN 0.507 nan 8.150 nan 0.000 0.459 237 N N -0.868 117.880 118.700 0.080 0.000 2.373 237 N HA 0.021 4.761 4.740 -0.000 0.000 0.181 237 N C 0.068 175.626 175.510 0.079 0.000 1.082 237 N CA -0.204 52.907 53.050 0.102 0.000 0.885 237 N CB 0.161 38.638 38.487 -0.018 0.000 0.977 237 N HN 0.616 nan 8.380 nan 0.000 0.462 238 Q N -0.024 119.803 119.800 0.045 0.000 2.421 238 Q HA 0.037 4.377 4.340 -0.000 0.000 0.255 238 Q C 0.419 176.556 176.000 0.229 0.000 1.013 238 Q CA 0.007 55.825 55.803 0.025 0.000 0.895 238 Q CB 0.602 29.362 28.738 0.035 0.000 1.271 238 Q HN 0.289 nan 8.270 nan 0.000 0.460 239 F N 0.913 121.075 119.950 0.353 0.000 2.250 239 F HA -0.234 4.293 4.527 -0.000 0.000 0.301 239 F C 1.798 177.829 175.800 0.385 0.000 1.077 239 F CA 0.775 59.076 58.000 0.501 0.000 1.348 239 F CB 0.015 39.266 39.000 0.419 0.000 1.040 239 F HN 0.652 nan 8.300 nan 0.000 0.509 240 D N -0.060 120.580 120.400 0.400 0.000 2.349 240 D HA 0.106 4.746 4.640 -0.000 0.000 0.215 240 D C 0.712 177.133 176.300 0.201 0.000 1.016 240 D CA 0.293 54.444 54.000 0.251 0.000 0.870 240 D CB -0.497 40.416 40.800 0.190 0.000 0.917 240 D HN 0.097 nan 8.370 nan 0.000 0.524 241 A N 1.497 124.407 122.820 0.149 0.000 2.304 241 A HA 0.520 4.840 4.320 -0.000 0.000 0.271 241 A C -2.380 175.108 177.584 -0.161 0.000 1.091 241 A CA -1.335 50.693 52.037 -0.016 0.000 0.812 241 A CB 0.274 19.282 19.000 0.014 0.000 1.056 241 A HN 0.030 nan 8.150 nan 0.000 0.489 242 P HA 0.371 nan 4.420 nan 0.000 0.287 242 P C -1.057 176.201 177.300 -0.070 0.000 1.281 242 P CA 0.332 63.077 63.100 -0.592 0.000 0.781 242 P CB 0.663 31.630 31.700 -1.220 0.000 0.903 243 I N 2.194 122.841 120.570 0.129 0.000 2.466 243 I HA 0.176 4.346 4.170 -0.000 0.000 0.279 243 I C 0.202 176.323 176.117 0.006 0.000 1.033 243 I CA -0.368 60.915 61.300 -0.028 0.000 1.123 243 I CB 1.599 39.434 38.000 -0.276 0.000 1.237 243 I HN 0.233 nan 8.210 nan 0.000 0.460 244 S N 7.549 123.330 115.700 0.136 0.000 2.498 244 S HA 0.622 5.091 4.470 -0.000 0.000 0.324 244 S C -0.506 174.289 174.600 0.325 0.000 1.071 244 S CA -0.439 57.861 58.200 0.167 0.000 1.113 244 S CB 0.368 63.751 63.200 0.306 0.000 0.976 244 S HN 0.413 nan 8.310 nan 0.000 0.462 245 I N 5.054 125.722 120.570 0.163 0.000 2.359 245 I HA 0.307 4.476 4.170 -0.000 0.000 0.294 245 I C -0.576 175.575 176.117 0.057 0.000 0.987 245 I CA -0.775 60.605 61.300 0.133 0.000 1.225 245 I CB 1.147 39.150 38.000 0.005 0.000 1.366 245 I HN 0.639 nan 8.210 nan 0.000 0.466 246 Y N 6.419 126.513 120.300 -0.343 0.000 2.434 246 Y HA 0.272 4.821 4.550 -0.000 0.000 0.341 246 Y C 0.275 176.022 175.900 -0.254 0.000 0.965 246 Y CA -0.611 57.078 58.100 -0.686 0.000 1.205 246 Y CB 0.742 38.475 38.460 -1.211 0.000 1.121 246 Y HN 0.562 nan 8.280 nan 0.000 0.507 247 E N 5.115 125.117 120.200 -0.330 0.000 2.289 247 E HA 0.432 4.782 4.350 -0.000 0.000 0.278 247 E C -1.513 174.849 176.600 -0.396 0.000 1.032 247 E CA -0.362 55.947 56.400 -0.152 0.000 0.854 247 E CB 1.087 30.893 29.700 0.176 0.000 1.046 247 E HN 0.502 nan 8.360 nan 0.000 0.409 248 V N 4.223 123.985 119.914 -0.253 0.000 2.925 248 V HA 0.180 4.300 4.120 -0.000 0.000 0.311 248 V C -0.637 175.409 176.094 -0.080 0.000 1.104 248 V CA -0.856 61.269 62.300 -0.293 0.000 0.954 248 V CB 1.980 33.585 31.823 -0.363 0.000 1.022 248 V HN 0.701 nan 8.190 nan 0.000 0.427 249 H N 4.396 123.389 119.070 -0.129 0.000 2.718 249 H HA 0.389 4.945 4.556 -0.000 0.000 0.295 249 H C 0.500 175.825 175.328 -0.005 0.000 1.051 249 H CA -0.483 55.550 56.048 -0.025 0.000 1.260 249 H CB 1.433 31.258 29.762 0.105 0.000 1.403 249 H HN 0.653 nan 8.280 nan 0.000 0.488 250 L N 3.166 124.143 121.223 -0.410 0.000 2.261 250 L HA -0.109 4.231 4.340 -0.000 0.000 0.216 250 L C 2.192 178.682 176.870 -0.632 0.000 1.114 250 L CA 1.468 55.935 54.840 -0.621 0.000 0.777 250 L CB -0.171 41.247 42.059 -1.068 0.000 0.910 250 L HN 0.656 nan 8.230 nan 0.000 0.440 251 G N -1.323 107.256 108.800 -0.368 0.000 2.985 251 G HA2 -0.006 3.953 3.960 -0.000 0.000 0.209 251 G HA3 -0.006 3.953 3.960 -0.000 0.000 0.209 251 G C 1.109 176.450 174.900 0.736 0.000 1.165 251 G CA 0.712 45.936 45.100 0.208 0.000 0.776 251 G HN 0.491 nan 8.290 nan 0.000 0.541 252 S N -2.721 113.391 115.700 0.687 0.000 2.820 252 S HA 0.032 4.502 4.470 -0.000 0.000 0.265 252 S C 1.145 176.041 174.600 0.494 0.000 1.043 252 S CA -0.292 58.306 58.200 0.663 0.000 1.245 252 S CB -0.408 63.310 63.200 0.865 0.000 1.187 252 S HN 0.331 nan 8.310 nan 0.000 0.673 253 W N 3.164 124.613 121.300 0.248 0.000 2.329 253 W HA 0.248 4.908 4.660 -0.000 0.000 0.324 253 W C 0.915 177.653 176.519 0.365 0.000 1.222 253 W CA 1.345 58.813 57.345 0.204 0.000 1.270 253 W CB -0.038 29.471 29.460 0.082 0.000 1.167 253 W HN 0.276 nan 8.180 nan 0.000 0.467 254 R N -0.478 120.118 120.500 0.161 0.000 2.855 254 R HA 0.507 4.847 4.340 -0.000 0.000 0.266 254 R C -1.047 175.287 176.300 0.056 0.000 1.034 254 R CA -0.800 55.250 56.100 -0.083 0.000 0.944 254 R CB 1.664 31.661 30.300 -0.504 0.000 1.219 254 R HN -0.184 nan 8.270 nan 0.000 0.474 255 R N 0.538 121.025 120.500 -0.022 0.000 2.668 255 R HA 0.217 4.556 4.340 -0.000 0.000 0.272 255 R C -1.290 174.954 176.300 -0.093 0.000 1.019 255 R CA -0.990 55.100 56.100 -0.017 0.000 0.894 255 R CB 1.813 32.168 30.300 0.092 0.000 1.228 255 R HN 0.733 nan 8.270 nan 0.000 0.460 256 H N 1.026 120.149 119.070 0.088 0.000 3.091 256 H HA -0.015 4.541 4.556 -0.000 0.000 0.289 256 H C 0.939 176.244 175.328 -0.040 0.000 0.995 256 H CA 0.481 56.535 56.048 0.011 0.000 1.461 256 H CB 0.695 30.455 29.762 -0.004 0.000 1.510 256 H HN 0.522 nan 8.280 nan 0.000 0.546 257 T N 2.087 116.680 114.554 0.065 0.000 2.714 257 T HA -0.259 4.090 4.350 -0.000 0.000 0.268 257 T C 1.615 176.304 174.700 -0.018 0.000 1.036 257 T CA 1.817 63.926 62.100 0.017 0.000 1.148 257 T CB 0.042 68.915 68.868 0.008 0.000 0.856 257 T HN 0.667 nan 8.240 nan 0.000 0.462 258 D N 0.343 120.712 120.400 -0.052 0.000 2.255 258 D HA 0.010 4.650 4.640 -0.000 0.000 0.224 258 D C 2.092 178.286 176.300 -0.178 0.000 0.997 258 D CA 0.584 54.521 54.000 -0.105 0.000 0.906 258 D CB -0.129 40.596 40.800 -0.125 0.000 1.047 258 D HN 0.219 nan 8.370 nan 0.000 0.458 259 N N 1.114 119.598 118.700 -0.359 0.000 2.309 259 N HA -0.165 4.575 4.740 -0.000 0.000 0.182 259 N C 0.581 175.899 175.510 -0.320 0.000 1.018 259 N CA 0.709 53.345 53.050 -0.690 0.000 0.876 259 N CB -0.185 37.137 38.487 -1.943 0.000 0.972 259 N HN 0.265 nan 8.380 nan 0.000 0.434 260 N N -0.855 117.780 118.700 -0.108 0.000 2.829 260 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 260 N C -0.937 174.712 175.510 0.232 0.000 1.090 260 N CA 0.195 53.284 53.050 0.065 0.000 0.781 260 N CB -1.801 36.715 38.487 0.047 0.000 1.124 260 N HN 0.204 nan 8.380 nan 0.000 0.559 261 F N 0.015 120.012 119.950 0.078 0.000 2.410 261 F HA 0.228 4.755 4.527 -0.000 0.000 0.334 261 F C 1.381 177.299 175.800 0.197 0.000 1.134 261 F CA -1.127 56.927 58.000 0.090 0.000 1.227 261 F CB 0.333 39.465 39.000 0.221 0.000 1.194 261 F HN -0.089 nan 8.300 nan 0.000 0.571 262 W N 2.819 124.339 121.300 0.367 0.000 2.123 262 W HA 0.162 4.822 4.660 -0.000 0.000 0.351 262 W C -0.032 176.620 176.519 0.221 0.000 1.292 262 W CA -0.664 56.850 57.345 0.282 0.000 1.263 262 W CB 0.123 29.820 29.460 0.395 0.000 1.165 262 W HN 0.179 nan 8.180 nan 0.000 0.590 263 L N 2.489 123.897 121.223 0.308 0.000 2.375 263 L HA 0.154 4.494 4.340 -0.000 0.000 0.271 263 L C 1.031 178.050 176.870 0.248 0.000 1.107 263 L CA -0.394 54.553 54.840 0.178 0.000 0.806 263 L CB 0.889 42.985 42.059 0.063 0.000 1.146 263 L HN 0.393 nan 8.230 nan 0.000 0.447 264 S N 0.813 116.677 115.700 0.272 0.000 2.624 264 S HA 0.130 4.599 4.470 -0.000 0.000 0.263 264 S C 0.957 175.630 174.600 0.122 0.000 1.287 264 S CA -0.385 57.930 58.200 0.191 0.000 0.990 264 S CB 0.495 63.836 63.200 0.234 0.000 0.950 264 S HN 0.422 nan 8.310 nan 0.000 0.561 265 Y N 0.978 121.403 120.300 0.209 0.000 2.207 265 Y HA -0.061 4.489 4.550 -0.000 0.000 0.287 265 Y C 2.826 178.913 175.900 0.312 0.000 1.156 265 Y CA 1.383 59.581 58.100 0.163 0.000 1.182 265 Y CB -0.435 38.189 38.460 0.273 0.000 0.979 265 Y HN 0.540 nan 8.280 nan 0.000 0.521 266 R N 0.417 121.199 120.500 0.469 0.000 2.073 266 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 266 R C 2.023 178.540 176.300 0.361 0.000 1.134 266 R CA 1.626 57.984 56.100 0.431 0.000 0.952 266 R CB -0.700 29.742 30.300 0.236 0.000 0.850 266 R HN 0.506 nan 8.270 nan 0.000 0.433 267 E N 0.740 121.112 120.200 0.287 0.000 2.051 267 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 267 E C 2.193 178.935 176.600 0.237 0.000 0.991 267 E CA 0.891 57.441 56.400 0.250 0.000 0.799 267 E CB -0.153 29.706 29.700 0.265 0.000 0.748 267 E HN 0.211 nan 8.360 nan 0.000 0.449 268 L N 0.470 121.825 121.223 0.220 0.000 2.131 268 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 268 L C 2.465 179.540 176.870 0.342 0.000 1.092 268 L CA 0.909 55.862 54.840 0.188 0.000 0.759 268 L CB -0.365 41.672 42.059 -0.037 0.000 0.903 268 L HN 0.153 nan 8.230 nan 0.000 0.435 269 A N -0.817 122.268 122.820 0.443 0.000 2.066 269 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 269 A C 1.780 179.435 177.584 0.120 0.000 1.157 269 A CA 1.505 53.691 52.037 0.249 0.000 0.670 269 A CB -0.223 18.906 19.000 0.215 0.000 0.804 269 A HN 0.339 nan 8.150 nan 0.000 0.453 270 D N -1.330 119.177 120.400 0.179 0.000 2.366 270 D HA 0.039 4.679 4.640 -0.000 0.000 0.205 270 D C 1.809 178.180 176.300 0.119 0.000 1.022 270 D CA 0.680 54.761 54.000 0.136 0.000 0.868 270 D CB 0.241 41.135 40.800 0.156 0.000 0.953 270 D HN 0.623 nan 8.370 nan 0.000 0.514 271 Q N -0.502 119.382 119.800 0.140 0.000 2.580 271 Q HA 0.105 4.445 4.340 -0.000 0.000 0.239 271 Q C 1.805 177.887 176.000 0.137 0.000 0.873 271 Q CA -0.188 55.718 55.803 0.170 0.000 0.951 271 Q CB 0.415 29.297 28.738 0.240 0.000 1.172 271 Q HN 0.009 nan 8.270 nan 0.000 0.616 272 L N 0.982 122.148 121.223 -0.096 0.000 2.005 272 L HA -0.099 4.240 4.340 -0.000 0.000 0.207 272 L C 2.080 178.896 176.870 -0.092 0.000 1.072 272 L CA 1.584 56.138 54.840 -0.476 0.000 0.744 272 L CB -0.601 41.064 42.059 -0.656 0.000 0.895 272 L HN -0.000 nan 8.230 nan 0.000 0.433 273 V N 0.537 120.422 119.914 -0.049 0.000 2.287 273 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 273 V C -0.081 176.024 176.094 0.018 0.000 1.053 273 V CA 2.393 64.647 62.300 -0.076 0.000 1.027 273 V CB -1.750 29.953 31.823 -0.201 0.000 0.646 273 V HN 0.374 nan 8.190 nan 0.000 0.447 274 P HA -0.151 nan 4.420 nan 0.000 0.219 274 P C 1.503 178.920 177.300 0.195 0.000 1.150 274 P CA 1.235 64.400 63.100 0.108 0.000 0.814 274 P CB -0.088 31.666 31.700 0.090 0.000 0.787 275 Y N 0.996 121.371 120.300 0.126 0.000 2.114 275 Y HA -0.163 4.387 4.550 -0.000 0.000 0.284 275 Y C 2.385 178.425 175.900 0.234 0.000 1.143 275 Y CA 1.819 60.051 58.100 0.220 0.000 1.135 275 Y CB -1.062 37.580 38.460 0.302 0.000 0.980 275 Y HN -0.132 nan 8.280 nan 0.000 0.499 276 A N 0.507 123.411 122.820 0.140 0.000 1.933 276 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 276 A C 2.338 180.010 177.584 0.147 0.000 1.175 276 A CA 1.886 53.982 52.037 0.099 0.000 0.628 276 A CB -0.758 18.328 19.000 0.143 0.000 0.814 276 A HN 0.508 nan 8.150 nan 0.000 0.444 277 K N -1.200 119.264 120.400 0.107 0.000 2.057 277 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 277 K C 2.014 178.660 176.600 0.077 0.000 1.050 277 K CA 1.348 57.688 56.287 0.088 0.000 0.935 277 K CB -0.317 32.231 32.500 0.080 0.000 0.715 277 K HN 0.798 nan 8.250 nan 0.000 0.439 278 W N 0.703 121.954 121.300 -0.081 0.000 2.381 278 W HA -0.175 4.484 4.660 -0.001 0.000 0.301 278 W C 1.328 177.747 176.519 -0.166 0.000 1.205 278 W CA 0.506 57.789 57.345 -0.103 0.000 1.285 278 W CB 0.039 29.446 29.460 -0.089 0.000 1.133 278 W HN 0.047 nan 8.180 nan 0.000 0.521 279 M N 0.761 120.217 119.600 -0.240 0.000 2.629 279 M HA -0.011 4.469 4.480 -0.000 0.000 0.257 279 M C 1.856 177.821 176.300 -0.559 0.000 1.071 279 M CA 1.740 56.793 55.300 -0.410 0.000 1.077 279 M CB -1.735 30.679 32.600 -0.309 0.000 1.423 279 M HN 0.331 nan 8.290 nan 0.000 0.508 280 G N -0.233 108.329 108.800 -0.396 0.000 2.157 280 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.239 280 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.239 280 G C 0.058 174.803 174.900 -0.258 0.000 0.982 280 G CA -0.378 44.515 45.100 -0.344 0.000 0.650 280 G HN 0.404 nan 8.290 nan 0.000 0.527 281 F N 0.873 120.812 119.950 -0.019 0.000 2.450 281 F HA 0.442 4.969 4.527 -0.000 0.000 0.339 281 F C 2.064 177.916 175.800 0.086 0.000 1.146 281 F CA 0.855 58.898 58.000 0.073 0.000 1.267 281 F CB 1.101 40.152 39.000 0.085 0.000 1.178 281 F HN 0.096 nan 8.300 nan 0.000 0.585 282 T N -3.115 111.652 114.554 0.355 0.000 3.023 282 T HA 0.171 4.520 4.350 -0.000 0.000 0.249 282 T C 0.358 175.220 174.700 0.270 0.000 1.050 282 T CA 0.316 62.583 62.100 0.278 0.000 1.088 282 T CB -0.216 68.856 68.868 0.339 0.000 0.946 282 T HN 0.520 nan 8.240 nan 0.000 0.480 283 H N -0.271 118.886 119.070 0.144 0.000 2.797 283 H HA 0.674 5.230 4.556 -0.000 0.000 0.372 283 H C -1.697 173.682 175.328 0.085 0.000 1.168 283 H CA -1.136 54.965 56.048 0.089 0.000 1.163 283 H CB 2.394 32.191 29.762 0.058 0.000 1.778 283 H HN 0.031 nan 8.280 nan 0.000 0.551 284 L N 1.971 123.286 121.223 0.153 0.000 2.343 284 L HA 0.240 4.580 4.340 -0.000 0.000 0.278 284 L C -0.360 176.558 176.870 0.079 0.000 0.996 284 L CA -0.269 54.621 54.840 0.083 0.000 0.831 284 L CB 1.581 43.661 42.059 0.034 0.000 1.232 284 L HN 0.661 nan 8.230 nan 0.000 0.413 285 E N 4.863 125.094 120.200 0.052 0.000 2.151 285 E HA 0.560 4.910 4.350 -0.000 0.000 0.275 285 E C -1.552 175.061 176.600 0.022 0.000 0.936 285 E CA -0.574 55.869 56.400 0.072 0.000 0.777 285 E CB 1.059 30.837 29.700 0.131 0.000 1.108 285 E HN 0.631 nan 8.360 nan 0.000 0.401 286 L N 4.583 125.814 121.223 0.013 0.000 2.317 286 L HA 0.380 4.720 4.340 -0.000 0.000 0.281 286 L C -0.354 176.474 176.870 -0.069 0.000 1.024 286 L CA -1.169 53.643 54.840 -0.045 0.000 0.810 286 L CB 1.027 43.052 42.059 -0.055 0.000 1.240 286 L HN 0.498 nan 8.230 nan 0.000 0.427 287 L N 4.230 125.398 121.223 -0.091 0.000 2.467 287 L HA 0.204 4.543 4.340 -0.000 0.000 0.270 287 L C -1.916 174.808 176.870 -0.243 0.000 1.205 287 L CA -0.957 53.807 54.840 -0.127 0.000 0.828 287 L CB -0.290 41.760 42.059 -0.016 0.000 1.101 287 L HN 0.358 nan 8.230 nan 0.000 0.479 288 P HA -0.163 nan 4.420 nan 0.000 0.248 288 P C 0.195 177.295 177.300 -0.333 0.000 1.127 288 P CA 0.639 63.484 63.100 -0.426 0.000 0.801 288 P CB -0.100 31.215 31.700 -0.643 0.000 0.732 289 I N 1.079 121.436 120.570 -0.356 0.000 3.684 289 I HA 0.048 4.218 4.170 -0.000 0.000 0.304 289 I C 0.818 176.786 176.117 -0.247 0.000 1.278 289 I CA -0.448 60.654 61.300 -0.329 0.000 1.272 289 I CB -1.353 36.305 38.000 -0.570 0.000 1.029 289 I HN 0.163 nan 8.210 nan 0.000 0.458 290 N N 1.286 119.887 118.700 -0.164 0.000 2.415 290 N HA 0.025 4.764 4.740 -0.000 0.000 0.248 290 N C -0.025 175.557 175.510 0.121 0.000 1.271 290 N CA -0.623 52.460 53.050 0.055 0.000 0.913 290 N CB 0.540 39.108 38.487 0.134 0.000 1.129 290 N HN 0.145 nan 8.380 nan 0.000 0.444 291 E N 0.780 121.054 120.200 0.124 0.000 2.384 291 E HA -0.009 4.341 4.350 -0.000 0.000 0.266 291 E C -0.875 175.810 176.600 0.142 0.000 1.012 291 E CA 0.186 56.634 56.400 0.081 0.000 0.901 291 E CB 0.261 29.975 29.700 0.024 0.000 0.967 291 E HN 0.697 nan 8.360 nan 0.000 0.435 292 H N 3.092 122.103 119.070 -0.098 0.000 3.038 292 H HA 0.261 4.817 4.556 -0.000 0.000 0.362 292 H C -2.517 172.711 175.328 -0.166 0.000 1.167 292 H CA -1.883 54.107 56.048 -0.097 0.000 1.197 292 H CB 1.281 31.012 29.762 -0.052 0.000 1.840 292 H HN 0.362 nan 8.280 nan 0.000 0.540 293 P HA 0.043 nan 4.420 nan 0.000 0.222 293 P C -0.266 176.547 177.300 -0.812 0.000 1.153 293 P CA 0.605 63.338 63.100 -0.612 0.000 0.798 293 P CB 0.392 31.610 31.700 -0.804 0.000 0.796 294 F N 0.246 120.226 119.950 0.050 0.000 2.482 294 F HA 0.245 4.771 4.527 -0.000 0.000 0.331 294 F C 1.259 177.172 175.800 0.189 0.000 1.115 294 F CA -0.937 57.118 58.000 0.092 0.000 0.955 294 F CB 1.288 40.325 39.000 0.062 0.000 1.136 294 F HN -0.355 nan 8.300 nan 0.000 0.452 295 D N 2.071 122.695 120.400 0.373 0.000 2.097 295 D HA -0.119 4.520 4.640 -0.000 0.000 0.195 295 D C 2.360 178.786 176.300 0.210 0.000 0.989 295 D CA 1.547 55.809 54.000 0.437 0.000 0.827 295 D CB -0.602 40.565 40.800 0.612 0.000 0.966 295 D HN 0.791 nan 8.370 nan 0.000 0.456 296 G N 0.422 109.235 108.800 0.022 0.000 2.532 296 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.222 296 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.222 296 G C 1.581 176.149 174.900 -0.553 0.000 1.102 296 G CA 1.561 46.433 45.100 -0.381 0.000 0.742 296 G HN 0.456 nan 8.290 nan 0.000 0.577 297 S N -1.699 113.882 115.700 -0.199 0.000 2.496 297 S HA -0.021 4.448 4.470 -0.000 0.000 0.224 297 S C 1.244 175.779 174.600 -0.107 0.000 0.996 297 S CA 0.834 58.892 58.200 -0.237 0.000 0.927 297 S CB -0.428 62.791 63.200 0.031 0.000 0.774 297 S HN 0.681 nan 8.310 nan 0.000 0.524 298 W N 0.474 121.856 121.300 0.137 0.000 2.589 298 W HA -0.211 4.449 4.660 -0.000 0.000 0.272 298 W C 1.213 177.676 176.519 -0.093 0.000 1.060 298 W CA 0.475 57.977 57.345 0.262 0.000 0.533 298 W CB -2.419 27.263 29.460 0.370 0.000 2.084 298 W HN 1.113 nan 8.180 nan 0.000 1.371 299 G N -2.136 106.427 108.800 -0.395 0.000 2.168 299 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.197 299 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.197 299 G C 0.277 174.741 174.900 -0.726 0.000 0.997 299 G CA 0.124 44.557 45.100 -1.112 0.000 0.658 299 G HN 0.358 nan 8.290 nan 0.000 0.513 300 Y N 0.711 120.854 120.300 -0.261 0.000 2.490 300 Y HA 0.339 4.888 4.550 -0.000 0.000 0.281 300 Y C 1.747 177.486 175.900 -0.268 0.000 1.174 300 Y CA 0.889 58.771 58.100 -0.363 0.000 1.295 300 Y CB 0.642 38.864 38.460 -0.398 0.000 1.062 300 Y HN 0.343 nan 8.280 nan 0.000 0.522 301 Q N 2.068 121.851 119.800 -0.029 0.000 2.700 301 Q HA 0.243 4.583 4.340 -0.000 0.000 0.249 301 Q C -2.672 173.358 176.000 0.051 0.000 1.033 301 Q CA -2.031 53.812 55.803 0.067 0.000 0.804 301 Q CB 1.482 30.285 28.738 0.110 0.000 1.164 301 Q HN 0.074 nan 8.270 nan 0.000 0.500 302 P HA 0.189 nan 4.420 nan 0.000 0.280 302 P C 0.163 177.479 177.300 0.027 0.000 1.272 302 P CA -0.186 62.935 63.100 0.034 0.000 0.819 302 P CB 1.788 33.492 31.700 0.007 0.000 1.122 303 T N -4.715 109.858 114.554 0.031 0.000 3.046 303 T HA 0.326 4.676 4.350 -0.000 0.000 0.270 303 T C 0.725 175.438 174.700 0.021 0.000 0.920 303 T CA 0.037 62.137 62.100 0.001 0.000 0.874 303 T CB -0.459 68.402 68.868 -0.012 0.000 1.214 303 T HN 0.529 nan 8.240 nan 0.000 0.536 304 G N 1.665 110.498 108.800 0.054 0.000 3.418 304 G HA2 0.535 4.495 3.960 -0.000 0.000 0.325 304 G HA3 0.535 4.495 3.960 -0.000 0.000 0.325 304 G C 0.557 175.535 174.900 0.130 0.000 1.556 304 G CA -0.460 44.690 45.100 0.084 0.000 1.047 304 G HN 0.168 nan 8.290 nan 0.000 0.500 305 L N 0.782 122.078 121.223 0.122 0.000 2.083 305 L HA -0.083 4.256 4.340 -0.000 0.000 0.209 305 L C 1.705 178.570 176.870 -0.008 0.000 1.083 305 L CA 1.656 56.527 54.840 0.052 0.000 0.752 305 L CB -0.355 41.617 42.059 -0.145 0.000 0.899 305 L HN 0.584 nan 8.230 nan 0.000 0.433 306 Y N -0.657 119.592 120.300 -0.086 0.000 2.457 306 Y HA 0.317 4.867 4.550 -0.000 0.000 0.263 306 Y C 1.038 176.978 175.900 0.066 0.000 1.164 306 Y CA -0.210 57.737 58.100 -0.254 0.000 1.274 306 Y CB 0.142 38.357 38.460 -0.408 0.000 1.097 306 Y HN 0.019 nan 8.280 nan 0.000 0.523 307 A N 1.081 124.077 122.820 0.293 0.000 2.273 307 A HA 0.557 4.877 4.320 -0.000 0.000 0.315 307 A C -2.736 175.024 177.584 0.295 0.000 1.256 307 A CA -1.871 50.348 52.037 0.302 0.000 0.851 307 A CB 0.331 19.444 19.000 0.189 0.000 1.172 307 A HN -0.092 nan 8.150 nan 0.000 0.508 308 P HA 0.083 nan 4.420 nan 0.000 0.268 308 P C 0.372 177.687 177.300 0.025 0.000 1.205 308 P CA 0.264 63.365 63.100 0.002 0.000 0.771 308 P CB 0.543 32.131 31.700 -0.186 0.000 0.858 309 T N 2.488 117.017 114.554 -0.041 0.000 2.867 309 T HA -0.025 4.325 4.350 -0.000 0.000 0.297 309 T C 1.257 175.891 174.700 -0.111 0.000 0.989 309 T CA 0.060 62.099 62.100 -0.101 0.000 1.159 309 T CB -0.214 68.519 68.868 -0.224 0.000 0.928 309 T HN 0.225 nan 8.240 nan 0.000 0.538 310 R N 3.491 123.905 120.500 -0.144 0.000 2.346 310 R HA 0.135 4.475 4.340 -0.000 0.000 0.199 310 R C 2.085 178.203 176.300 -0.304 0.000 1.015 310 R CA 0.917 56.950 56.100 -0.111 0.000 1.058 310 R CB -0.192 30.070 30.300 -0.062 0.000 0.921 310 R HN 0.642 nan 8.270 nan 0.000 0.475 311 R N -1.231 118.850 120.500 -0.697 0.000 2.115 311 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 311 R C 0.761 176.420 176.300 -1.070 0.000 1.100 311 R CA 1.406 56.833 56.100 -1.122 0.000 0.980 311 R CB -0.021 28.938 30.300 -2.236 0.000 0.875 311 R HN 0.296 nan 8.270 nan 0.000 0.445 312 F N -0.667 118.953 119.950 -0.550 0.000 2.678 312 F HA 0.401 4.928 4.527 -0.000 0.000 0.305 312 F C 1.131 176.666 175.800 -0.442 0.000 1.090 312 F CA -0.044 57.549 58.000 -0.678 0.000 1.272 312 F CB 1.181 39.388 39.000 -1.322 0.000 1.060 312 F HN 0.099 nan 8.300 nan 0.000 0.576 313 G N 0.228 109.012 108.800 -0.027 0.000 2.339 313 G HA2 0.252 4.211 3.960 -0.000 0.000 0.275 313 G HA3 0.252 4.211 3.960 -0.000 0.000 0.275 313 G C -0.816 174.306 174.900 0.370 0.000 1.323 313 G CA -0.472 44.793 45.100 0.275 0.000 0.927 313 G HN 0.105 nan 8.290 nan 0.000 0.486 314 T N -1.990 112.782 114.554 0.363 0.000 2.862 314 T HA 0.521 4.871 4.350 -0.000 0.000 0.276 314 T C 1.596 176.502 174.700 0.344 0.000 0.974 314 T CA 0.586 62.863 62.100 0.295 0.000 0.966 314 T CB 1.575 70.575 68.868 0.221 0.000 1.072 314 T HN 1.242 nan 8.240 nan 0.000 0.538 315 R N 0.192 120.889 120.500 0.328 0.000 2.193 315 R HA -0.024 4.316 4.340 -0.000 0.000 0.229 315 R C 1.117 177.675 176.300 0.429 0.000 1.110 315 R CA 1.476 57.838 56.100 0.436 0.000 0.988 315 R CB -0.883 29.721 30.300 0.505 0.000 0.871 315 R HN 0.592 nan 8.270 nan 0.000 0.458 316 D N 0.588 121.158 120.400 0.283 0.000 2.213 316 D HA -0.066 4.573 4.640 -0.000 0.000 0.205 316 D C 0.894 177.325 176.300 0.218 0.000 0.961 316 D CA 0.958 55.080 54.000 0.203 0.000 0.853 316 D CB -0.181 40.705 40.800 0.142 0.000 0.967 316 D HN 0.229 nan 8.370 nan 0.000 0.496 317 D N -0.004 120.551 120.400 0.258 0.000 2.144 317 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 317 D C 1.773 178.227 176.300 0.256 0.000 0.978 317 D CA 0.383 54.577 54.000 0.323 0.000 0.833 317 D CB -0.348 40.734 40.800 0.469 0.000 0.961 317 D HN 0.168 nan 8.370 nan 0.000 0.470 318 F N 2.030 121.814 119.950 -0.277 0.000 2.102 318 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 318 F C 2.271 178.055 175.800 -0.026 0.000 1.105 318 F CA 1.102 58.674 58.000 -0.714 0.000 1.239 318 F CB -0.212 38.271 39.000 -0.862 0.000 0.991 318 F HN -0.220 nan 8.300 nan 0.000 0.474 319 R N -0.323 120.159 120.500 -0.029 0.000 2.120 319 R HA -0.244 4.096 4.340 -0.000 0.000 0.234 319 R C 2.126 178.376 176.300 -0.084 0.000 1.123 319 R CA 1.929 57.980 56.100 -0.081 0.000 0.975 319 R CB -1.786 28.509 30.300 -0.008 0.000 0.866 319 R HN 0.488 nan 8.270 nan 0.000 0.446 320 Y N -0.149 120.119 120.300 -0.054 0.000 2.224 320 Y HA -0.156 4.394 4.550 -0.000 0.000 0.289 320 Y C 1.756 177.631 175.900 -0.042 0.000 1.146 320 Y CA 1.813 59.900 58.100 -0.022 0.000 1.182 320 Y CB -0.539 37.958 38.460 0.062 0.000 0.983 320 Y HN 0.170 nan 8.280 nan 0.000 0.524 321 F N 0.058 119.909 119.950 -0.166 0.000 2.102 321 F HA -0.216 4.310 4.527 -0.000 0.000 0.298 321 F C 1.920 177.481 175.800 -0.398 0.000 1.105 321 F CA 1.515 59.378 58.000 -0.228 0.000 1.239 321 F CB -0.315 38.659 39.000 -0.045 0.000 0.991 321 F HN -0.024 nan 8.300 nan 0.000 0.474 322 I N 0.697 120.943 120.570 -0.541 0.000 2.226 322 I HA -0.256 3.913 4.170 -0.000 0.000 0.245 322 I C 1.917 177.544 176.117 -0.817 0.000 1.100 322 I CA 1.334 62.197 61.300 -0.729 0.000 1.374 322 I CB -1.546 36.083 38.000 -0.619 0.000 1.057 322 I HN 0.186 nan 8.210 nan 0.000 0.413 323 D N 1.110 121.182 120.400 -0.547 0.000 2.178 323 D HA -0.071 4.569 4.640 -0.000 0.000 0.202 323 D C 2.291 178.339 176.300 -0.419 0.000 0.974 323 D CA 1.380 55.145 54.000 -0.392 0.000 0.841 323 D CB 0.024 40.676 40.800 -0.246 0.000 0.953 323 D HN 0.295 nan 8.370 nan 0.000 0.478 324 A N 1.257 123.732 122.820 -0.575 0.000 1.877 324 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 324 A C 2.350 179.675 177.584 -0.433 0.000 1.186 324 A CA 2.190 53.908 52.037 -0.532 0.000 0.620 324 A CB -0.757 17.865 19.000 -0.630 0.000 0.822 324 A HN 0.229 nan 8.150 nan 0.000 0.443 325 A N -0.617 121.853 122.820 -0.585 0.000 1.883 325 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 325 A C 1.938 179.383 177.584 -0.232 0.000 1.186 325 A CA 1.802 53.559 52.037 -0.466 0.000 0.624 325 A CB -1.135 17.493 19.000 -0.620 0.000 0.822 325 A HN 0.771 nan 8.150 nan 0.000 0.444 326 H N -0.996 117.915 119.070 -0.266 0.000 2.387 326 H HA 0.004 4.560 4.556 -0.000 0.000 0.299 326 H C 2.388 177.618 175.328 -0.163 0.000 1.090 326 H CA 0.634 56.562 56.048 -0.200 0.000 1.332 326 H CB 0.037 29.686 29.762 -0.188 0.000 1.386 326 H HN 0.578 nan 8.280 nan 0.000 0.516 327 A N 0.818 123.607 122.820 -0.051 0.000 2.066 327 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 327 A C 2.329 179.874 177.584 -0.065 0.000 1.157 327 A CA 0.984 52.980 52.037 -0.067 0.000 0.670 327 A CB -0.329 18.611 19.000 -0.099 0.000 0.804 327 A HN 0.435 nan 8.150 nan 0.000 0.453 328 A N -1.728 121.041 122.820 -0.085 0.000 2.208 328 A HA 0.420 4.739 4.320 -0.000 0.000 0.209 328 A C 1.677 179.237 177.584 -0.039 0.000 1.161 328 A CA 1.147 53.148 52.037 -0.060 0.000 0.782 328 A CB -0.719 18.234 19.000 -0.079 0.000 0.816 328 A HN 1.790 nan 8.150 nan 0.000 0.477 329 G N -1.343 107.430 108.800 -0.045 0.000 2.131 329 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.223 329 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.223 329 G C -0.103 174.767 174.900 -0.049 0.000 0.990 329 G CA 0.235 45.309 45.100 -0.043 0.000 0.671 329 G HN 0.440 nan 8.290 nan 0.000 0.521 330 L N -0.045 121.147 121.223 -0.052 0.000 2.334 330 L HA 0.510 4.850 4.340 -0.000 0.000 0.273 330 L C 0.603 177.422 176.870 -0.085 0.000 1.013 330 L CA -1.011 53.786 54.840 -0.071 0.000 0.816 330 L CB 1.493 43.517 42.059 -0.059 0.000 1.278 330 L HN 0.132 nan 8.230 nan 0.000 0.431 331 N N 0.006 118.556 118.700 -0.250 0.000 2.482 331 N HA 0.593 5.333 4.740 -0.000 0.000 0.279 331 N C -1.363 174.047 175.510 -0.167 0.000 1.182 331 N CA -0.627 52.251 53.050 -0.287 0.000 0.969 331 N CB 2.239 40.288 38.487 -0.729 0.000 1.201 331 N HN 0.151 nan 8.380 nan 0.000 0.523 332 V N 2.274 122.160 119.914 -0.048 0.000 2.531 332 V HA 0.432 4.551 4.120 -0.000 0.000 0.301 332 V C -0.244 175.871 176.094 0.035 0.000 1.034 332 V CA -0.634 61.660 62.300 -0.010 0.000 0.865 332 V CB 1.514 33.303 31.823 -0.057 0.000 0.995 332 V HN 0.514 nan 8.190 nan 0.000 0.424 333 I N 5.242 125.859 120.570 0.078 0.000 2.392 333 I HA 0.466 4.635 4.170 -0.000 0.000 0.295 333 I C -0.732 175.410 176.117 0.043 0.000 0.985 333 I CA -0.677 60.677 61.300 0.091 0.000 1.221 333 I CB 1.753 39.848 38.000 0.158 0.000 1.366 333 I HN 0.396 nan 8.210 nan 0.000 0.467 334 L N 5.875 127.099 121.223 0.001 0.000 2.333 334 L HA 0.474 4.814 4.340 -0.000 0.000 0.280 334 L C -0.759 176.108 176.870 -0.006 0.000 1.004 334 L CA -0.272 54.523 54.840 -0.075 0.000 0.820 334 L CB 1.228 43.142 42.059 -0.242 0.000 1.247 334 L HN 0.377 nan 8.230 nan 0.000 0.416 335 D N 4.231 124.622 120.400 -0.014 0.000 2.382 335 D HA 0.095 4.735 4.640 -0.000 0.000 0.259 335 D C -1.239 175.098 176.300 0.063 0.000 1.224 335 D CA 0.622 54.652 54.000 0.050 0.000 0.894 335 D CB 0.230 41.034 40.800 0.007 0.000 1.127 335 D HN 0.455 nan 8.370 nan 0.000 0.487 336 W N 4.204 125.477 121.300 -0.045 0.000 2.478 336 W HA 0.403 5.063 4.660 -0.000 0.000 0.318 336 W C -0.541 176.023 176.519 0.074 0.000 1.062 336 W CA -1.319 56.015 57.345 -0.018 0.000 1.210 336 W CB 1.072 30.555 29.460 0.037 0.000 1.325 336 W HN 0.130 nan 8.180 nan 0.000 0.496 337 V N 6.486 126.258 119.914 -0.237 0.000 2.412 337 V HA 0.378 4.497 4.120 -0.000 0.000 0.270 337 V C -1.718 174.232 176.094 -0.241 0.000 1.169 337 V CA -1.453 60.758 62.300 -0.148 0.000 1.319 337 V CB 0.455 32.263 31.823 -0.025 0.000 1.467 337 V HN 0.543 nan 8.190 nan 0.000 0.535 338 P HA 0.101 nan 4.420 nan 0.000 0.237 338 P C 1.310 178.634 177.300 0.039 0.000 1.178 338 P CA 1.213 64.035 63.100 -0.463 0.000 0.766 338 P CB 0.354 31.622 31.700 -0.721 0.000 0.876 339 G N -1.313 107.571 108.800 0.141 0.000 2.939 339 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.210 339 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.210 339 G C -0.164 174.808 174.900 0.120 0.000 1.160 339 G CA 0.057 45.278 45.100 0.201 0.000 0.770 339 G HN 0.336 nan 8.290 nan 0.000 0.543 340 H N -0.405 118.816 119.070 0.251 0.000 2.691 340 H HA 0.368 4.924 4.556 -0.000 0.000 0.281 340 H C -0.990 174.485 175.328 0.245 0.000 1.121 340 H CA -1.181 55.001 56.048 0.224 0.000 1.254 340 H CB 0.536 30.395 29.762 0.162 0.000 1.390 340 H HN 0.104 nan 8.280 nan 0.000 0.491 341 F N 4.088 124.103 119.950 0.108 0.000 2.529 341 F HA 0.216 4.743 4.527 -0.000 0.000 0.365 341 F C -1.903 173.854 175.800 -0.071 0.000 1.102 341 F CA -2.194 55.681 58.000 -0.208 0.000 1.271 341 F CB 0.688 39.410 39.000 -0.463 0.000 1.120 341 F HN 0.352 nan 8.300 nan 0.000 0.579 342 P HA -0.020 nan 4.420 nan 0.000 0.260 342 P C 0.082 177.410 177.300 0.046 0.000 1.185 342 P CA 0.614 63.586 63.100 -0.213 0.000 0.763 342 P CB 0.472 31.949 31.700 -0.372 0.000 0.776 343 T N -1.862 112.731 114.554 0.064 0.000 2.985 343 T HA 0.151 4.500 4.350 -0.000 0.000 0.254 343 T C 0.246 174.923 174.700 -0.038 0.000 1.021 343 T CA -0.114 62.021 62.100 0.058 0.000 0.957 343 T CB 0.100 69.005 68.868 0.063 0.000 1.047 343 T HN 0.167 nan 8.240 nan 0.000 0.511 344 D N 2.107 122.490 120.400 -0.028 0.000 2.228 344 D HA 0.315 4.954 4.640 -0.000 0.000 0.247 344 D C -0.266 175.954 176.300 -0.134 0.000 0.995 344 D CA -0.321 53.643 54.000 -0.059 0.000 0.903 344 D CB 1.288 42.142 40.800 0.089 0.000 1.205 344 D HN -0.021 nan 8.370 nan 0.000 0.459 345 D N 0.283 120.554 120.400 -0.214 0.000 3.039 345 D HA -0.247 4.392 4.640 -0.000 0.000 0.222 345 D C 0.129 176.415 176.300 -0.024 0.000 1.179 345 D CA 0.512 54.434 54.000 -0.130 0.000 0.880 345 D CB -1.417 39.360 40.800 -0.038 0.000 1.115 345 D HN 0.459 nan 8.370 nan 0.000 0.416 346 F N -2.647 117.335 119.950 0.054 0.000 3.100 346 F HA -0.325 4.202 4.527 -0.000 0.000 0.283 346 F C 1.921 177.766 175.800 0.075 0.000 0.900 346 F CA 0.662 58.699 58.000 0.061 0.000 1.010 346 F CB -1.981 37.038 39.000 0.031 0.000 1.029 346 F HN 0.266 nan 8.300 nan 0.000 0.637 347 A N -0.688 122.208 122.820 0.127 0.000 1.908 347 A HA -0.009 4.310 4.320 -0.000 0.000 0.218 347 A C 2.054 179.732 177.584 0.157 0.000 1.181 347 A CA 2.329 54.430 52.037 0.106 0.000 0.627 347 A CB -0.217 18.790 19.000 0.011 0.000 0.818 347 A HN 0.503 nan 8.150 nan 0.000 0.445 348 L N -3.233 118.065 121.223 0.125 0.000 3.017 348 L HA 0.499 4.839 4.340 -0.000 0.000 0.265 348 L C 1.107 178.217 176.870 0.400 0.000 1.128 348 L CA 0.850 55.768 54.840 0.129 0.000 0.984 348 L CB 0.005 41.837 42.059 -0.378 0.000 1.464 348 L HN 0.276 nan 8.230 nan 0.000 0.556 349 A N 0.417 123.500 122.820 0.438 0.000 2.498 349 A HA 0.214 4.534 4.320 -0.000 0.000 0.239 349 A C 0.518 178.284 177.584 0.303 0.000 1.068 349 A CA 0.340 52.622 52.037 0.409 0.000 0.766 349 A CB -0.343 18.850 19.000 0.322 0.000 1.003 349 A HN 0.433 nan 8.150 nan 0.000 0.497 350 E N -0.616 119.713 120.200 0.215 0.000 2.228 350 E HA -0.245 4.104 4.350 -0.000 0.000 0.213 350 E C -0.872 175.811 176.600 0.138 0.000 1.282 350 E CA 0.549 57.027 56.400 0.130 0.000 0.707 350 E CB -1.360 28.381 29.700 0.068 0.000 1.150 350 E HN 0.547 nan 8.360 nan 0.000 0.362 351 F N 2.160 122.168 119.950 0.097 0.000 2.464 351 F HA 0.089 4.616 4.527 -0.000 0.000 0.353 351 F C 0.814 176.597 175.800 -0.029 0.000 1.191 351 F CA 0.786 58.834 58.000 0.081 0.000 1.147 351 F CB 0.281 39.410 39.000 0.216 0.000 1.294 351 F HN 0.290 nan 8.300 nan 0.000 0.583 352 D N 2.582 122.870 120.400 -0.186 0.000 2.967 352 D HA -0.137 4.502 4.640 -0.000 0.000 0.201 352 D C 0.758 177.000 176.300 -0.097 0.000 0.953 352 D CA 0.863 54.778 54.000 -0.142 0.000 0.980 352 D CB -1.538 39.225 40.800 -0.061 0.000 1.039 352 D HN 1.077 nan 8.370 nan 0.000 0.456 353 G N -1.141 107.606 108.800 -0.088 0.000 2.284 353 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.230 353 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.230 353 G C 0.578 175.454 174.900 -0.040 0.000 1.021 353 G CA 1.206 46.267 45.100 -0.065 0.000 0.619 353 G HN 1.588 nan 8.290 nan 0.000 0.510 354 T N -1.433 113.099 114.554 -0.036 0.000 2.844 354 T HA 0.614 4.964 4.350 -0.000 0.000 0.274 354 T C -0.109 174.584 174.700 -0.011 0.000 0.991 354 T CA -0.212 61.870 62.100 -0.031 0.000 0.983 354 T CB 1.403 70.242 68.868 -0.049 0.000 1.310 354 T HN 0.078 nan 8.240 nan 0.000 0.596 355 N N 1.629 120.316 118.700 -0.022 0.000 2.918 355 N HA 0.274 5.014 4.740 -0.000 0.000 0.247 355 N C 0.787 176.278 175.510 -0.032 0.000 1.117 355 N CA -0.145 52.896 53.050 -0.014 0.000 1.005 355 N CB 0.815 39.278 38.487 -0.040 0.000 1.297 355 N HN 0.487 nan 8.380 nan 0.000 0.513 356 L N 0.465 121.676 121.223 -0.020 0.000 2.007 356 L HA -0.091 4.248 4.340 -0.000 0.000 0.205 356 L C 1.262 178.087 176.870 -0.075 0.000 1.073 356 L CA 1.407 56.154 54.840 -0.156 0.000 0.744 356 L CB -0.123 41.693 42.059 -0.406 0.000 0.898 356 L HN 0.408 nan 8.230 nan 0.000 0.435 357 Y N -0.383 120.020 120.300 0.171 0.000 2.397 357 Y HA -0.018 4.531 4.550 -0.000 0.000 0.292 357 Y C 1.478 177.453 175.900 0.125 0.000 1.115 357 Y CA -0.099 58.154 58.100 0.256 0.000 1.208 357 Y CB 0.160 38.813 38.460 0.320 0.000 1.046 357 Y HN 0.210 nan 8.280 nan 0.000 0.552 358 E N 0.149 120.368 120.200 0.031 0.000 2.250 358 E HA 0.085 4.435 4.350 -0.000 0.000 0.269 358 E C -0.839 175.644 176.600 -0.196 0.000 1.018 358 E CA -0.553 55.632 56.400 -0.358 0.000 0.873 358 E CB 0.756 29.943 29.700 -0.856 0.000 1.134 358 E HN 0.159 nan 8.360 nan 0.000 0.403 359 H N 1.050 119.994 119.070 -0.209 0.000 2.690 359 H HA 0.046 4.602 4.556 -0.000 0.000 0.365 359 H C 0.475 175.738 175.328 -0.108 0.000 1.142 359 H CA 0.453 56.433 56.048 -0.113 0.000 1.417 359 H CB 1.098 30.807 29.762 -0.089 0.000 1.446 359 H HN 0.672 nan 8.280 nan 0.000 0.599 373 L N 2.933 124.088 121.223 -0.113 0.000 2.418 373 L HA 0.726 5.066 4.340 -0.000 0.000 0.274 373 L C 0.125 176.806 176.870 -0.314 0.000 1.135 373 L CA -0.646 54.027 54.840 -0.279 0.000 0.870 373 L CB -0.105 41.718 42.059 -0.392 0.000 1.154 373 L HN 0.606 nan 8.230 nan 0.000 0.462 374 I N 1.110 121.474 120.570 -0.343 0.000 2.892 374 I HA 0.265 4.435 4.170 -0.000 0.000 0.306 374 I C 0.176 176.103 176.117 -0.317 0.000 1.078 374 I CA -0.871 60.315 61.300 -0.190 0.000 1.032 374 I CB 1.473 39.475 38.000 0.004 0.000 1.229 374 I HN 0.616 nan 8.210 nan 0.000 0.435 375 Y N 2.108 122.265 120.300 -0.238 0.000 2.256 375 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 375 Y C 1.382 177.053 175.900 -0.383 0.000 1.155 375 Y CA 2.359 60.244 58.100 -0.359 0.000 1.203 375 Y CB -0.125 37.785 38.460 -0.916 0.000 0.980 375 Y HN 0.847 nan 8.280 nan 0.000 0.530 376 N N -0.847 117.770 118.700 -0.139 0.000 2.663 376 N HA -0.263 4.477 4.740 -0.000 0.000 0.263 376 N C -0.355 175.120 175.510 -0.059 0.000 1.109 376 N CA -0.072 52.969 53.050 -0.015 0.000 0.701 376 N CB -1.259 37.081 38.487 -0.246 0.000 0.879 376 N HN 0.381 nan 8.380 nan 0.000 0.550 377 Y N -0.776 119.569 120.300 0.074 0.000 2.639 377 Y HA 0.049 4.599 4.550 -0.000 0.000 0.297 377 Y C 2.309 178.247 175.900 0.063 0.000 1.151 377 Y CA 0.932 58.992 58.100 -0.068 0.000 1.335 377 Y CB 0.038 38.355 38.460 -0.238 0.000 0.994 377 Y HN 0.488 nan 8.280 nan 0.000 0.548 378 G N 0.029 108.951 108.800 0.205 0.000 2.511 378 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 378 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 378 G C 0.732 175.697 174.900 0.109 0.000 1.133 378 G CA -0.355 44.843 45.100 0.163 0.000 0.792 378 G HN 0.186 nan 8.290 nan 0.000 0.539 379 R N 0.309 120.853 120.500 0.074 0.000 2.347 379 R HA 0.277 4.616 4.340 -0.000 0.000 0.304 379 R C 1.817 178.152 176.300 0.057 0.000 1.072 379 R CA -0.484 55.647 56.100 0.053 0.000 0.980 379 R CB 0.612 30.937 30.300 0.042 0.000 0.986 379 R HN 0.120 nan 8.270 nan 0.000 0.448 380 R N 3.380 123.902 120.500 0.036 0.000 2.113 380 R HA -0.233 4.107 4.340 -0.000 0.000 0.244 380 R C 0.829 177.115 176.300 -0.023 0.000 1.142 380 R CA 2.422 58.539 56.100 0.029 0.000 0.953 380 R CB -0.075 30.221 30.300 -0.005 0.000 0.860 380 R HN 0.735 nan 8.270 nan 0.000 0.438 381 E N -0.707 119.368 120.200 -0.207 0.000 2.106 381 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 381 E C 1.955 178.444 176.600 -0.185 0.000 0.984 381 E CA 1.403 57.514 56.400 -0.481 0.000 0.806 381 E CB -0.079 28.704 29.700 -1.528 0.000 0.750 381 E HN 0.180 nan 8.360 nan 0.000 0.458 382 V N 0.337 120.234 119.914 -0.029 0.000 2.270 382 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 382 V C 2.331 178.609 176.094 0.307 0.000 1.043 382 V CA 1.804 64.257 62.300 0.254 0.000 1.014 382 V CB -0.785 31.183 31.823 0.240 0.000 0.645 382 V HN 0.311 nan 8.190 nan 0.000 0.447 383 S N 0.674 116.510 115.700 0.225 0.000 2.374 383 S HA -0.262 4.208 4.470 -0.000 0.000 0.227 383 S C 1.933 176.766 174.600 0.390 0.000 1.037 383 S CA 2.085 60.486 58.200 0.335 0.000 1.024 383 S CB -0.523 62.889 63.200 0.353 0.000 0.861 383 S HN 0.661 nan 8.310 nan 0.000 0.456 384 N N 0.782 119.668 118.700 0.310 0.000 2.084 384 N HA -0.078 4.661 4.740 -0.000 0.000 0.190 384 N C 1.408 177.182 175.510 0.440 0.000 1.030 384 N CA 1.399 54.637 53.050 0.313 0.000 0.849 384 N CB -0.974 37.645 38.487 0.221 0.000 1.012 384 N HN 0.524 nan 8.380 nan 0.000 0.423 385 F N 2.006 122.147 119.950 0.319 0.000 2.063 385 F HA -0.185 4.341 4.527 -0.000 0.000 0.298 385 F C 2.054 178.069 175.800 0.358 0.000 1.109 385 F CA 1.418 59.650 58.000 0.386 0.000 1.212 385 F CB -0.586 38.627 39.000 0.354 0.000 0.973 385 F HN -0.045 nan 8.300 nan 0.000 0.480 386 L N -0.850 120.528 121.223 0.258 0.000 2.007 386 L HA -0.189 4.150 4.340 -0.000 0.000 0.205 386 L C 2.437 179.605 176.870 0.497 0.000 1.073 386 L CA 1.217 56.200 54.840 0.238 0.000 0.744 386 L CB -1.142 41.073 42.059 0.261 0.000 0.898 386 L HN -0.010 nan 8.230 nan 0.000 0.435 387 V N 0.686 120.916 119.914 0.527 0.000 2.282 387 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 387 V C 2.653 178.894 176.094 0.246 0.000 1.057 387 V CA 2.190 64.705 62.300 0.359 0.000 1.032 387 V CB -1.504 30.483 31.823 0.274 0.000 0.645 387 V HN 0.625 nan 8.190 nan 0.000 0.447 388 G N -0.407 108.586 108.800 0.320 0.000 2.442 388 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 388 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 388 G C 1.488 176.582 174.900 0.324 0.000 1.141 388 G CA 0.984 46.354 45.100 0.449 0.000 0.763 388 G HN 0.571 nan 8.290 nan 0.000 0.554 389 N N 0.939 119.686 118.700 0.078 0.000 2.289 389 N HA -0.058 4.682 4.740 -0.000 0.000 0.184 389 N C 2.407 177.752 175.510 -0.275 0.000 1.016 389 N CA 1.028 53.821 53.050 -0.428 0.000 0.872 389 N CB -0.091 38.039 38.487 -0.595 0.000 0.973 389 N HN 0.289 nan 8.380 nan 0.000 0.433 390 A N 0.815 123.478 122.820 -0.262 0.000 1.898 390 A HA -0.009 4.310 4.320 -0.000 0.000 0.214 390 A C 2.048 179.501 177.584 -0.217 0.000 1.183 390 A CA 0.451 52.151 52.037 -0.563 0.000 0.622 390 A CB -0.423 18.048 19.000 -0.882 0.000 0.824 390 A HN 0.212 nan 8.150 nan 0.000 0.444 391 L N -1.304 119.885 121.223 -0.056 0.000 2.046 391 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 391 L C 2.304 179.205 176.870 0.052 0.000 1.077 391 L CA 1.918 56.794 54.840 0.060 0.000 0.747 391 L CB -1.471 40.719 42.059 0.219 0.000 0.896 391 L HN 0.614 nan 8.230 nan 0.000 0.432 392 Y N -0.814 119.306 120.300 -0.299 0.000 2.014 392 Y HA -0.330 4.220 4.550 -0.000 0.000 0.270 392 Y C 2.444 178.213 175.900 -0.218 0.000 1.145 392 Y CA 1.848 59.554 58.100 -0.657 0.000 1.106 392 Y CB -1.089 36.708 38.460 -1.106 0.000 0.968 392 Y HN 0.164 nan 8.280 nan 0.000 0.484 393 W N 0.413 121.572 121.300 -0.235 0.000 2.305 393 W HA -0.303 4.357 4.660 -0.000 0.000 0.308 393 W C 2.520 178.962 176.519 -0.129 0.000 1.226 393 W CA 1.474 58.675 57.345 -0.240 0.000 1.253 393 W CB -0.497 28.832 29.460 -0.219 0.000 1.146 393 W HN 0.152 nan 8.180 nan 0.000 0.507 394 I N -0.307 120.320 120.570 0.095 0.000 2.202 394 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 394 I C 2.146 178.271 176.117 0.014 0.000 1.091 394 I CA 1.510 62.829 61.300 0.032 0.000 1.368 394 I CB -0.502 37.479 38.000 -0.033 0.000 1.058 394 I HN 0.013 nan 8.210 nan 0.000 0.410 395 E N 0.075 120.275 120.200 -0.000 0.000 2.230 395 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 395 E C 1.857 178.420 176.600 -0.061 0.000 0.987 395 E CA 0.436 56.833 56.400 -0.005 0.000 0.841 395 E CB 0.269 30.004 29.700 0.058 0.000 0.783 395 E HN 0.261 nan 8.360 nan 0.000 0.481 396 R N -0.824 119.589 120.500 -0.145 0.000 2.334 396 R HA 0.132 4.472 4.340 -0.000 0.000 0.212 396 R C 0.516 176.477 176.300 -0.566 0.000 0.897 396 R CA 0.344 56.236 56.100 -0.346 0.000 1.056 396 R CB 0.334 30.337 30.300 -0.495 0.000 1.046 396 R HN 0.177 nan 8.270 nan 0.000 0.513 397 F N -1.209 118.647 119.950 -0.157 0.000 2.915 397 F HA 0.258 4.785 4.527 -0.000 0.000 0.347 397 F C 1.237 176.978 175.800 -0.098 0.000 1.104 397 F CA 0.286 58.215 58.000 -0.118 0.000 1.126 397 F CB 0.986 39.983 39.000 -0.004 0.000 1.145 397 F HN 0.138 nan 8.300 nan 0.000 0.541 398 G N 1.422 110.276 108.800 0.091 0.000 2.153 398 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 398 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 398 G C 0.230 175.225 174.900 0.158 0.000 0.994 398 G CA -0.166 45.007 45.100 0.121 0.000 0.698 398 G HN 0.125 nan 8.290 nan 0.000 0.521 399 I N 1.575 122.212 120.570 0.112 0.000 2.821 399 I HA 0.017 4.186 4.170 -0.000 0.000 0.294 399 I C 1.252 177.379 176.117 0.017 0.000 1.210 399 I CA 0.223 61.558 61.300 0.058 0.000 1.430 399 I CB 0.356 38.378 38.000 0.037 0.000 1.356 399 I HN 0.208 nan 8.210 nan 0.000 0.563 400 D N 5.071 125.479 120.400 0.013 0.000 2.249 400 D HA 0.147 4.786 4.640 -0.000 0.000 0.205 400 D C 0.575 176.832 176.300 -0.073 0.000 0.962 400 D CA 0.746 54.716 54.000 -0.050 0.000 0.860 400 D CB 0.812 41.569 40.800 -0.070 0.000 0.955 400 D HN 0.636 nan 8.370 nan 0.000 0.505 401 A N 0.437 123.236 122.820 -0.035 0.000 2.594 401 A HA 0.623 4.943 4.320 -0.000 0.000 0.295 401 A C -1.551 176.034 177.584 0.001 0.000 1.071 401 A CA -0.610 51.410 52.037 -0.029 0.000 0.685 401 A CB 1.314 20.342 19.000 0.048 0.000 1.285 401 A HN 0.035 nan 8.150 nan 0.000 0.405 402 L N 1.430 122.667 121.223 0.024 0.000 2.365 402 L HA 0.698 5.038 4.340 -0.000 0.000 0.273 402 L C 0.151 177.166 176.870 0.241 0.000 1.000 402 L CA -0.699 54.196 54.840 0.093 0.000 0.819 402 L CB 1.986 44.044 42.059 -0.000 0.000 1.284 402 L HN 0.816 nan 8.230 nan 0.000 0.418 403 R N 2.619 123.276 120.500 0.262 0.000 2.409 403 R HA 0.590 4.929 4.340 -0.000 0.000 0.313 403 R C -1.655 174.782 176.300 0.228 0.000 0.953 403 R CA -0.482 55.759 56.100 0.235 0.000 0.849 403 R CB 1.888 32.281 30.300 0.155 0.000 1.171 403 R HN 0.441 nan 8.270 nan 0.000 0.458 404 V N 5.234 125.291 119.914 0.238 0.000 2.439 404 V HA 0.209 4.329 4.120 -0.000 0.000 0.282 404 V C 0.282 176.351 176.094 -0.042 0.000 1.039 404 V CA -0.582 61.820 62.300 0.171 0.000 0.913 404 V CB 1.438 33.445 31.823 0.307 0.000 0.983 404 V HN 0.830 nan 8.190 nan 0.000 0.460 405 D N 3.419 123.827 120.400 0.013 0.000 2.384 405 D HA 0.527 5.166 4.640 -0.000 0.000 0.250 405 D C 0.498 176.813 176.300 0.025 0.000 1.029 405 D CA -0.247 53.717 54.000 -0.060 0.000 0.990 405 D CB 1.880 42.680 40.800 0.001 0.000 1.175 405 D HN 0.975 nan 8.370 nan 0.000 0.532 406 A N -0.115 122.698 122.820 -0.012 0.000 2.748 406 A HA -0.177 4.142 4.320 -0.000 0.000 0.297 406 A C 1.424 178.999 177.584 -0.015 0.000 1.508 406 A CA 0.893 52.931 52.037 0.003 0.000 0.799 406 A CB -2.229 16.782 19.000 0.018 0.000 1.011 406 A HN 0.471 nan 8.150 nan 0.000 0.500 407 V N -1.012 118.875 119.914 -0.046 0.000 2.392 407 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 407 V C 2.939 179.012 176.094 -0.035 0.000 1.059 407 V CA 2.806 65.070 62.300 -0.060 0.000 1.051 407 V CB -1.144 30.597 31.823 -0.137 0.000 0.658 407 V HN 1.214 nan 8.190 nan 0.000 0.455 408 A N 0.830 123.667 122.820 0.028 0.000 1.940 408 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 408 A C 2.525 180.205 177.584 0.160 0.000 1.176 408 A CA 2.332 54.457 52.037 0.147 0.000 0.631 408 A CB -0.749 18.349 19.000 0.162 0.000 0.814 408 A HN 0.723 nan 8.150 nan 0.000 0.446 409 S N -1.032 114.711 115.700 0.072 0.000 2.481 409 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 409 S C 1.854 176.483 174.600 0.049 0.000 0.996 409 S CA 1.449 59.682 58.200 0.056 0.000 0.942 409 S CB -0.442 62.754 63.200 -0.007 0.000 0.768 409 S HN 0.537 nan 8.310 nan 0.000 0.520 410 M N 1.442 121.051 119.600 0.015 0.000 2.276 410 M HA 0.264 4.744 4.480 -0.000 0.000 0.262 410 M C 2.287 178.549 176.300 -0.063 0.000 1.098 410 M CA 1.144 56.445 55.300 0.001 0.000 1.167 410 M CB -0.502 32.060 32.600 -0.062 0.000 1.337 410 M HN 0.415 nan 8.290 nan 0.000 0.446 411 I N -2.049 118.417 120.570 -0.173 0.000 2.916 411 I HA -0.076 4.093 4.170 -0.000 0.000 0.267 411 I C -0.280 175.539 176.117 -0.496 0.000 1.263 411 I CA 0.822 61.891 61.300 -0.386 0.000 1.471 411 I CB -0.416 37.180 38.000 -0.673 0.000 1.089 411 I HN 0.058 nan 8.210 nan 0.000 0.468 412 Y N 1.238 121.529 120.300 -0.016 0.000 2.376 412 Y HA 0.484 5.034 4.550 -0.000 0.000 0.340 412 Y C 1.018 176.924 175.900 0.011 0.000 0.965 412 Y CA -0.950 57.157 58.100 0.011 0.000 1.078 412 Y CB 1.459 39.932 38.460 0.023 0.000 1.193 412 Y HN -0.181 nan 8.280 nan 0.000 0.452 413 R N 1.067 121.665 120.500 0.163 0.000 2.339 413 R HA 0.002 4.342 4.340 -0.000 0.000 0.199 413 R C -0.716 175.635 176.300 0.084 0.000 1.018 413 R CA 0.480 56.630 56.100 0.084 0.000 1.036 413 R CB -0.449 29.878 30.300 0.045 0.000 0.899 413 R HN 0.807 nan 8.270 nan 0.000 0.473 424 P HA 0.211 nan 4.420 nan 0.000 0.268 424 P C 0.410 177.720 177.300 0.016 0.000 1.204 424 P CA 0.269 63.389 63.100 0.033 0.000 0.768 424 P CB 0.818 32.545 31.700 0.046 0.000 0.842 425 N N 2.134 120.842 118.700 0.013 0.000 2.255 425 N HA -0.071 4.668 4.740 -0.000 0.000 0.253 425 N C 1.002 176.480 175.510 -0.054 0.000 1.313 425 N CA -0.394 52.633 53.050 -0.039 0.000 0.912 425 N CB 0.545 38.991 38.487 -0.070 0.000 1.145 425 N HN 0.543 nan 8.380 nan 0.000 0.511 426 E N -0.418 119.676 120.200 -0.178 0.000 2.273 426 E HA -0.191 4.158 4.350 -0.000 0.000 0.198 426 E C 0.607 177.197 176.600 -0.017 0.000 1.002 426 E CA 1.364 57.645 56.400 -0.198 0.000 0.828 426 E CB -0.590 28.861 29.700 -0.415 0.000 0.747 426 E HN 0.644 nan 8.360 nan 0.000 0.491 427 F N 0.174 120.145 119.950 0.035 0.000 2.647 427 F HA 0.365 4.892 4.527 -0.000 0.000 0.300 427 F C 1.449 177.271 175.800 0.037 0.000 1.106 427 F CA -0.268 57.753 58.000 0.036 0.000 1.313 427 F CB 1.157 40.180 39.000 0.039 0.000 1.007 427 F HN 0.181 nan 8.300 nan 0.000 0.536 428 G N 1.074 109.983 108.800 0.181 0.000 2.196 428 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.268 428 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.268 428 G C 0.778 175.751 174.900 0.122 0.000 0.975 428 G CA 0.019 45.192 45.100 0.121 0.000 0.648 428 G HN 0.640 nan 8.290 nan 0.000 0.538 429 G N -0.543 108.352 108.800 0.158 0.000 2.653 429 G HA2 0.504 4.464 3.960 -0.000 0.000 0.265 429 G HA3 0.504 4.464 3.960 -0.000 0.000 0.265 429 G C 1.041 176.019 174.900 0.130 0.000 1.237 429 G CA 0.397 45.590 45.100 0.156 0.000 0.946 429 G HN 0.667 nan 8.290 nan 0.000 0.522 430 R N -0.644 119.957 120.500 0.168 0.000 2.308 430 R HA 0.160 4.500 4.340 -0.000 0.000 0.202 430 R C -0.014 176.420 176.300 0.222 0.000 0.898 430 R CA -0.030 56.187 56.100 0.196 0.000 1.046 430 R CB -0.546 29.894 30.300 0.233 0.000 1.026 430 R HN 0.443 nan 8.270 nan 0.000 0.512 431 E N 2.239 122.527 120.200 0.147 0.000 2.354 431 E HA 0.100 4.450 4.350 -0.000 0.000 0.269 431 E C -0.322 176.258 176.600 -0.033 0.000 1.036 431 E CA -0.240 56.140 56.400 -0.034 0.000 0.876 431 E CB 0.542 30.207 29.700 -0.058 0.000 1.009 431 E HN 0.032 nan 8.360 nan 0.000 0.416 432 N N 3.865 122.513 118.700 -0.087 0.000 2.663 432 N HA 0.028 4.768 4.740 -0.000 0.000 0.250 432 N C 0.411 175.902 175.510 -0.031 0.000 1.129 432 N CA 0.091 53.120 53.050 -0.035 0.000 0.995 432 N CB 0.103 38.584 38.487 -0.010 0.000 1.324 432 N HN 0.543 nan 8.380 nan 0.000 0.512 433 L N 1.642 122.856 121.223 -0.015 0.000 2.051 433 L HA -0.231 4.108 4.340 -0.000 0.000 0.214 433 L C 1.898 178.791 176.870 0.037 0.000 1.076 433 L CA 1.463 56.306 54.840 0.004 0.000 0.758 433 L CB -0.235 41.814 42.059 -0.016 0.000 0.890 433 L HN 0.501 nan 8.230 nan 0.000 0.433 434 E N 0.149 120.395 120.200 0.076 0.000 2.152 434 E HA -0.150 4.199 4.350 -0.000 0.000 0.192 434 E C 2.338 179.043 176.600 0.174 0.000 0.983 434 E CA 1.025 57.511 56.400 0.143 0.000 0.818 434 E CB -0.108 29.708 29.700 0.192 0.000 0.758 434 E HN 0.546 nan 8.360 nan 0.000 0.467 435 A N 1.542 124.432 122.820 0.115 0.000 1.897 435 A HA -0.119 4.200 4.320 -0.000 0.000 0.215 435 A C 2.196 179.747 177.584 -0.055 0.000 1.181 435 A CA 0.764 52.774 52.037 -0.045 0.000 0.620 435 A CB -0.508 18.434 19.000 -0.096 0.000 0.821 435 A HN 0.092 nan 8.150 nan 0.000 0.443 436 I N -0.686 119.840 120.570 -0.073 0.000 2.127 436 I HA -0.272 3.897 4.170 -0.000 0.000 0.241 436 I C 2.585 178.682 176.117 -0.032 0.000 1.075 436 I CA 1.906 63.142 61.300 -0.107 0.000 1.334 436 I CB -0.355 37.579 38.000 -0.109 0.000 1.040 436 I HN 0.304 nan 8.210 nan 0.000 0.405 437 E N 0.734 120.951 120.200 0.028 0.000 2.110 437 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 437 E C 1.885 178.520 176.600 0.060 0.000 0.988 437 E CA 1.224 57.654 56.400 0.051 0.000 0.804 437 E CB -0.356 29.395 29.700 0.085 0.000 0.745 437 E HN 0.417 nan 8.360 nan 0.000 0.458 438 F N 0.683 120.617 119.950 -0.026 0.000 2.069 438 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 438 F C 1.705 177.480 175.800 -0.042 0.000 1.113 438 F CA 1.578 59.568 58.000 -0.017 0.000 1.214 438 F CB -0.493 38.445 39.000 -0.104 0.000 0.978 438 F HN 0.019 nan 8.300 nan 0.000 0.474 439 L N -0.139 120.855 121.223 -0.382 0.000 2.083 439 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 439 L C 2.693 179.355 176.870 -0.348 0.000 1.083 439 L CA 1.411 55.995 54.840 -0.427 0.000 0.752 439 L CB -0.691 41.291 42.059 -0.127 0.000 0.899 439 L HN 0.087 nan 8.230 nan 0.000 0.433 440 R N -0.162 120.216 120.500 -0.203 0.000 2.075 440 R HA -0.152 4.187 4.340 -0.000 0.000 0.232 440 R C 2.120 178.325 176.300 -0.158 0.000 1.126 440 R CA 1.643 57.651 56.100 -0.153 0.000 0.963 440 R CB -0.299 29.961 30.300 -0.067 0.000 0.858 440 R HN 0.319 nan 8.270 nan 0.000 0.435 441 N N -0.346 118.269 118.700 -0.142 0.000 2.080 441 N HA -0.113 4.626 4.740 -0.000 0.000 0.189 441 N C 1.415 176.843 175.510 -0.137 0.000 1.036 441 N CA 1.878 54.873 53.050 -0.092 0.000 0.846 441 N CB -0.142 38.335 38.487 -0.017 0.000 1.015 441 N HN -0.022 nan 8.380 nan 0.000 0.423 442 T N 0.788 115.178 114.554 -0.273 0.000 2.624 442 T HA -0.147 4.202 4.350 -0.000 0.000 0.268 442 T C 1.474 176.077 174.700 -0.162 0.000 1.041 442 T CA 1.432 63.378 62.100 -0.255 0.000 1.159 442 T CB -0.442 68.141 68.868 -0.475 0.000 0.863 442 T HN 0.325 nan 8.240 nan 0.000 0.434 443 N N 0.390 118.957 118.700 -0.221 0.000 2.309 443 N HA -0.019 4.721 4.740 -0.000 0.000 0.182 443 N C 1.982 177.439 175.510 -0.088 0.000 1.018 443 N CA 0.577 53.538 53.050 -0.148 0.000 0.876 443 N CB -0.198 38.089 38.487 -0.333 0.000 0.972 443 N HN 0.404 nan 8.380 nan 0.000 0.434 444 R N 1.015 121.452 120.500 -0.105 0.000 2.057 444 R HA 0.076 4.416 4.340 -0.000 0.000 0.229 444 R C 2.235 178.528 176.300 -0.011 0.000 1.136 444 R CA 0.695 56.755 56.100 -0.065 0.000 0.952 444 R CB -0.218 30.048 30.300 -0.057 0.000 0.848 444 R HN 0.072 nan 8.270 nan 0.000 0.430 445 I N 1.049 121.612 120.570 -0.011 0.000 2.151 445 I HA -0.286 3.883 4.170 -0.000 0.000 0.243 445 I C 1.456 177.586 176.117 0.021 0.000 1.080 445 I CA 0.961 62.265 61.300 0.007 0.000 1.339 445 I CB -0.115 37.886 38.000 0.003 0.000 1.039 445 I HN 0.177 nan 8.210 nan 0.000 0.409 446 L N 0.742 121.982 121.223 0.029 0.000 2.801 446 L HA 0.067 4.407 4.340 -0.000 0.000 0.250 446 L C 1.352 178.328 176.870 0.177 0.000 1.222 446 L CA 0.754 55.626 54.840 0.053 0.000 1.054 446 L CB -0.395 41.676 42.059 0.020 0.000 1.330 446 L HN 0.174 nan 8.230 nan 0.000 0.426 447 G N -2.524 106.372 108.800 0.160 0.000 2.626 447 G HA2 0.039 3.999 3.960 -0.000 0.000 0.193 447 G HA3 0.039 3.999 3.960 -0.000 0.000 0.193 447 G C 1.228 176.191 174.900 0.105 0.000 1.195 447 G CA -0.070 45.169 45.100 0.232 0.000 0.864 447 G HN 0.354 nan 8.290 nan 0.000 0.790 448 E N 0.190 120.426 120.200 0.059 0.000 2.099 448 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 448 E C 2.394 179.007 176.600 0.021 0.000 0.962 448 E CA 0.418 56.838 56.400 0.032 0.000 0.826 448 E CB 0.107 29.820 29.700 0.022 0.000 0.788 448 E HN 0.050 nan 8.360 nan 0.000 0.461 449 Q N 0.237 120.047 119.800 0.017 0.000 2.049 449 Q HA -0.049 4.291 4.340 -0.000 0.000 0.198 449 Q C 1.442 177.441 176.000 -0.001 0.000 0.971 449 Q CA 1.147 56.954 55.803 0.007 0.000 0.833 449 Q CB 0.244 28.985 28.738 0.006 0.000 0.896 449 Q HN 0.251 nan 8.270 nan 0.000 0.434 450 V N -1.530 118.379 119.914 -0.007 0.000 2.572 450 V HA 0.390 4.510 4.120 -0.000 0.000 0.274 450 V C 0.121 176.188 176.094 -0.045 0.000 1.075 450 V CA -0.821 61.460 62.300 -0.032 0.000 1.237 450 V CB 0.645 32.438 31.823 -0.050 0.000 1.517 450 V HN 0.035 nan 8.190 nan 0.000 0.616 451 S N 2.012 117.702 115.700 -0.016 0.000 2.626 451 S HA 0.416 4.886 4.470 -0.000 0.000 0.303 451 S C 1.583 176.147 174.600 -0.059 0.000 1.256 451 S CA 1.712 59.907 58.200 -0.008 0.000 1.069 451 S CB 0.022 63.228 63.200 0.009 0.000 0.807 451 S HN 2.280 nan 8.310 nan 0.000 0.500 452 G N 2.928 111.667 108.800 -0.101 0.000 2.316 452 G HA2 0.002 3.962 3.960 -0.000 0.000 0.203 452 G HA3 0.002 3.962 3.960 -0.000 0.000 0.203 452 G C 0.129 174.892 174.900 -0.229 0.000 0.999 452 G CA -0.065 44.950 45.100 -0.142 0.000 0.649 452 G HN 1.439 nan 8.290 nan 0.000 0.489 453 A N 0.176 122.833 122.820 -0.272 0.000 2.303 453 A HA 0.940 5.260 4.320 -0.000 0.000 0.317 453 A C 0.370 177.549 177.584 -0.674 0.000 1.149 453 A CA 0.166 52.003 52.037 -0.333 0.000 0.822 453 A CB 1.456 20.314 19.000 -0.236 0.000 1.131 453 A HN 1.885 nan 8.150 nan 0.000 0.493 454 V N -0.597 118.894 119.914 -0.705 0.000 3.074 454 V HA 0.952 5.071 4.120 -0.000 0.000 0.314 454 V C -0.137 175.668 176.094 -0.482 0.000 1.117 454 V CA -0.120 61.431 62.300 -1.248 0.000 1.014 454 V CB 1.527 32.733 31.823 -1.030 0.000 1.057 454 V HN 1.255 nan 8.190 nan 0.000 0.438 455 T N 0.434 114.917 114.554 -0.119 0.000 2.912 455 T HA 0.831 5.181 4.350 -0.000 0.000 0.288 455 T C -0.530 174.571 174.700 0.668 0.000 1.030 455 T CA -0.776 61.532 62.100 0.346 0.000 1.020 455 T CB 1.766 70.845 68.868 0.352 0.000 1.056 455 T HN 0.829 nan 8.240 nan 0.000 0.480 456 M N 1.089 121.064 119.600 0.626 0.000 2.658 456 M HA 0.798 5.277 4.480 -0.000 0.000 0.295 456 M C -0.925 175.489 176.300 0.190 0.000 1.248 456 M CA -1.121 54.487 55.300 0.513 0.000 0.843 456 M CB 2.646 35.496 32.600 0.416 0.000 1.749 456 M HN 0.997 nan 8.290 nan 0.000 0.464 457 A N 1.158 123.857 122.820 -0.201 0.000 2.574 457 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 457 A C -1.676 175.635 177.584 -0.455 0.000 1.062 457 A CA -0.592 51.091 52.037 -0.591 0.000 0.686 457 A CB 2.051 20.122 19.000 -1.548 0.000 1.285 457 A HN 0.738 nan 8.150 nan 0.000 0.403 458 E N 1.915 121.830 120.200 -0.474 0.000 2.114 458 E HA 0.363 4.713 4.350 -0.000 0.000 0.266 458 E C -1.392 175.114 176.600 -0.156 0.000 0.896 458 E CA -0.211 55.999 56.400 -0.316 0.000 0.750 458 E CB 1.258 30.654 29.700 -0.506 0.000 1.121 458 E HN 0.573 nan 8.360 nan 0.000 0.413 459 E N 3.273 123.452 120.200 -0.035 0.000 2.220 459 E HA 0.127 4.477 4.350 -0.000 0.000 0.256 459 E C 0.340 177.002 176.600 0.103 0.000 0.881 459 E CA -0.159 56.255 56.400 0.022 0.000 0.766 459 E CB 1.466 31.185 29.700 0.033 0.000 1.187 459 E HN 0.544 nan 8.360 nan 0.000 0.419 460 S N 2.055 117.815 115.700 0.100 0.000 2.428 460 S HA -0.074 4.396 4.470 -0.000 0.000 0.230 460 S C 1.242 175.914 174.600 0.120 0.000 1.014 460 S CA 1.114 59.383 58.200 0.116 0.000 0.957 460 S CB -0.410 62.847 63.200 0.095 0.000 0.784 460 S HN 0.563 nan 8.310 nan 0.000 0.499 461 T N 0.007 114.641 114.554 0.134 0.000 2.771 461 T HA 0.381 4.731 4.350 -0.000 0.000 0.290 461 T C -0.529 174.269 174.700 0.164 0.000 1.005 461 T CA -0.361 61.810 62.100 0.119 0.000 0.944 461 T CB 0.341 69.279 68.868 0.117 0.000 1.147 461 T HN 0.114 nan 8.240 nan 0.000 0.534 462 D N -0.002 120.487 120.400 0.148 0.000 3.058 462 D HA 0.293 4.932 4.640 -0.000 0.000 0.272 462 D C -0.658 175.736 176.300 0.157 0.000 1.350 462 D CA -0.361 53.722 54.000 0.139 0.000 0.863 462 D CB -0.528 40.314 40.800 0.071 0.000 1.064 462 D HN 0.457 nan 8.370 nan 0.000 0.488 463 F N 3.065 123.093 119.950 0.130 0.000 2.604 463 F HA 0.038 4.565 4.527 -0.000 0.000 0.390 463 F C -1.769 174.080 175.800 0.082 0.000 1.053 463 F CA -1.623 56.459 58.000 0.136 0.000 1.256 463 F CB 0.419 39.502 39.000 0.138 0.000 0.996 463 F HN 0.087 nan 8.300 nan 0.000 0.564 464 P HA 0.185 nan 4.420 nan 0.000 0.276 464 P C 0.076 177.169 177.300 -0.345 0.000 1.230 464 P CA 0.558 63.394 63.100 -0.439 0.000 0.776 464 P CB 0.999 32.455 31.700 -0.407 0.000 0.888 465 G N 2.426 111.158 108.800 -0.114 0.000 2.295 465 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.287 465 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.287 465 G C 0.756 175.716 174.900 0.100 0.000 1.055 465 G CA 0.037 45.118 45.100 -0.031 0.000 0.922 465 G HN 0.357 nan 8.290 nan 0.000 0.503 466 V N 0.339 120.342 119.914 0.150 0.000 2.332 466 V HA -0.135 3.984 4.120 -0.000 0.000 0.248 466 V C 2.318 178.521 176.094 0.182 0.000 1.055 466 V CA 2.713 65.144 62.300 0.218 0.000 1.038 466 V CB -0.204 31.684 31.823 0.108 0.000 0.651 466 V HN 1.309 nan 8.190 nan 0.000 0.450 467 S N 0.260 115.978 115.700 0.031 0.000 2.489 467 S HA 0.425 4.894 4.470 -0.000 0.000 0.237 467 S C 0.099 174.618 174.600 -0.136 0.000 1.220 467 S CA -0.678 57.511 58.200 -0.017 0.000 1.231 467 S CB 0.045 63.184 63.200 -0.103 0.000 0.900 467 S HN 0.335 nan 8.310 nan 0.000 0.492 468 R N 1.627 122.074 120.500 -0.088 0.000 2.837 468 R HA 0.593 4.933 4.340 -0.000 0.000 0.271 468 R C -3.218 173.016 176.300 -0.110 0.000 0.993 468 R CA -2.328 53.699 56.100 -0.123 0.000 0.931 468 R CB 0.933 31.176 30.300 -0.095 0.000 1.206 468 R HN 0.180 nan 8.270 nan 0.000 0.474 469 P HA 0.007 nan 4.420 nan 0.000 0.265 469 P C -0.179 177.077 177.300 -0.073 0.000 1.193 469 P CA 0.147 63.173 63.100 -0.123 0.000 0.765 469 P CB 0.664 32.298 31.700 -0.110 0.000 0.823 470 Q N 1.627 121.382 119.800 -0.076 0.000 2.297 470 Q HA -0.167 4.173 4.340 -0.000 0.000 0.208 470 Q C 1.182 177.171 176.000 -0.019 0.000 0.981 470 Q CA 1.779 57.561 55.803 -0.036 0.000 0.876 470 Q CB -0.550 28.158 28.738 -0.049 0.000 0.921 470 Q HN 0.595 nan 8.270 nan 0.000 0.446 471 D N -1.632 118.749 120.400 -0.032 0.000 2.323 471 D HA -0.036 4.604 4.640 -0.000 0.000 0.239 471 D C 0.851 177.140 176.300 -0.018 0.000 1.129 471 D CA 0.349 54.337 54.000 -0.020 0.000 0.865 471 D CB 0.269 41.054 40.800 -0.025 0.000 0.913 471 D HN 0.143 nan 8.370 nan 0.000 0.517 472 M N -1.118 118.470 119.600 -0.019 0.000 2.023 472 M HA 0.229 4.709 4.480 -0.000 0.000 0.182 472 M C 1.749 178.040 176.300 -0.015 0.000 1.753 472 M CA 1.113 56.400 55.300 -0.021 0.000 0.945 472 M CB -0.102 32.477 32.600 -0.034 0.000 1.521 472 M HN 0.159 nan 8.290 nan 0.000 0.599 473 G N -0.341 108.451 108.800 -0.013 0.000 2.763 473 G HA2 0.485 4.445 3.960 -0.000 0.000 0.205 473 G HA3 0.485 4.445 3.960 -0.000 0.000 0.205 473 G C 0.634 175.576 174.900 0.070 0.000 1.137 473 G CA 0.809 45.908 45.100 -0.002 0.000 0.839 473 G HN 0.752 nan 8.290 nan 0.000 0.596 474 G N -1.589 107.253 108.800 0.069 0.000 2.331 474 G HA2 0.256 4.216 3.960 -0.000 0.000 0.479 474 G HA3 0.256 4.216 3.960 -0.000 0.000 0.479 474 G C 0.282 175.249 174.900 0.112 0.000 1.262 474 G CA -0.235 44.924 45.100 0.099 0.000 1.029 474 G HN 1.125 nan 8.290 nan 0.000 0.487 475 L N -0.938 120.341 121.223 0.093 0.000 3.447 475 L HA -0.204 4.136 4.340 -0.000 0.000 0.337 475 L C 2.865 179.702 176.870 -0.055 0.000 4.145 475 L CA 4.222 59.120 54.840 0.096 0.000 1.229 475 L CB -1.534 40.718 42.059 0.322 0.000 3.307 475 L HN 3.145 nan 8.230 nan 0.000 0.751 476 G N -1.848 106.931 108.800 -0.035 0.000 2.160 476 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.251 476 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.251 476 G C 0.213 174.935 174.900 -0.297 0.000 1.008 476 G CA 0.240 45.213 45.100 -0.212 0.000 0.724 476 G HN 0.356 nan 8.290 nan 0.000 0.514 477 F N -0.979 118.913 119.950 -0.096 0.000 2.485 477 F HA 0.425 4.952 4.527 -0.000 0.000 0.327 477 F C 1.767 177.555 175.800 -0.020 0.000 1.203 477 F CA -0.222 57.812 58.000 0.057 0.000 1.295 477 F CB 0.415 39.493 39.000 0.131 0.000 1.191 477 F HN 0.078 nan 8.300 nan 0.000 0.588 478 W N -0.352 121.056 121.300 0.181 0.000 2.525 478 W HA 0.018 4.678 4.660 -0.000 0.000 0.288 478 W C -0.389 175.996 176.519 -0.223 0.000 1.200 478 W CA 0.607 57.938 57.345 -0.023 0.000 1.349 478 W CB 0.062 29.427 29.460 -0.159 0.000 1.102 478 W HN 0.300 nan 8.180 nan 0.000 0.558 479 Y N -0.189 120.405 120.300 0.489 0.000 2.545 479 Y HA 0.424 4.974 4.550 -0.000 0.000 0.348 479 Y C -0.158 175.866 175.900 0.206 0.000 1.002 479 Y CA -1.253 57.019 58.100 0.286 0.000 1.039 479 Y CB 1.731 40.388 38.460 0.329 0.000 1.271 479 Y HN -0.452 nan 8.280 nan 0.000 0.467 480 K N 1.233 121.823 120.400 0.316 0.000 2.464 480 K HA 0.351 4.671 4.320 -0.000 0.000 0.253 480 K C -1.817 175.111 176.600 0.546 0.000 0.933 480 K CA -0.697 55.747 56.287 0.261 0.000 0.801 480 K CB 1.233 33.771 32.500 0.062 0.000 1.271 480 K HN 0.649 nan 8.250 nan 0.000 0.430 481 W N 2.757 124.188 121.300 0.218 0.000 2.303 481 W HA 0.137 4.796 4.660 -0.000 0.000 0.318 481 W C 0.741 177.438 176.519 0.297 0.000 1.362 481 W CA -0.381 57.091 57.345 0.211 0.000 1.234 481 W CB 0.196 29.721 29.460 0.107 0.000 1.248 481 W HN 0.444 nan 8.180 nan 0.000 0.546 482 N N 4.436 123.339 118.700 0.337 0.000 2.895 482 N HA 0.054 4.794 4.740 -0.000 0.000 0.277 482 N C 1.095 176.657 175.510 0.086 0.000 1.185 482 N CA 0.149 53.188 53.050 -0.019 0.000 1.106 482 N CB 0.023 38.263 38.487 -0.412 0.000 1.422 482 N HN 0.450 nan 8.380 nan 0.000 0.521 483 L N 0.600 121.907 121.223 0.140 0.000 2.056 483 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 483 L C 2.363 179.222 176.870 -0.019 0.000 1.078 483 L CA 1.245 56.099 54.840 0.022 0.000 0.749 483 L CB -0.518 41.576 42.059 0.058 0.000 0.901 483 L HN 0.448 nan 8.230 nan 0.000 0.433 484 G N -0.487 108.378 108.800 0.108 0.000 2.469 484 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 484 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 484 G C 1.305 176.350 174.900 0.242 0.000 1.150 484 G CA 0.830 46.043 45.100 0.187 0.000 0.763 484 G HN 0.543 nan 8.290 nan 0.000 0.561 485 W N 0.422 121.752 121.300 0.050 0.000 2.358 485 W HA -0.032 4.628 4.660 -0.000 0.000 0.303 485 W C 2.512 179.025 176.519 -0.008 0.000 1.208 485 W CA 1.779 59.130 57.345 0.009 0.000 1.274 485 W CB -0.026 29.377 29.460 -0.095 0.000 1.138 485 W HN 0.149 nan 8.180 nan 0.000 0.515 486 M N 0.109 119.888 119.600 0.298 0.000 2.108 486 M HA -0.266 4.214 4.480 -0.000 0.000 0.261 486 M C 1.784 178.035 176.300 -0.081 0.000 1.066 486 M CA 2.264 57.626 55.300 0.104 0.000 1.107 486 M CB -1.321 31.318 32.600 0.066 0.000 1.356 486 M HN 0.235 nan 8.290 nan 0.000 0.406 487 H N -0.367 118.702 119.070 -0.001 0.000 2.326 487 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 487 H C 1.669 176.919 175.328 -0.130 0.000 1.081 487 H CA 1.425 57.443 56.048 -0.050 0.000 1.334 487 H CB 0.066 29.823 29.762 -0.010 0.000 1.385 487 H HN 0.405 nan 8.280 nan 0.000 0.504 488 D N -0.509 119.881 120.400 -0.016 0.000 2.097 488 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 488 D C 2.423 178.539 176.300 -0.307 0.000 0.984 488 D CA 1.945 55.868 54.000 -0.129 0.000 0.826 488 D CB -0.543 40.218 40.800 -0.065 0.000 0.973 488 D HN 0.488 nan 8.370 nan 0.000 0.460 489 T N -1.024 113.190 114.554 -0.566 0.000 2.904 489 T HA -0.086 4.263 4.350 -0.000 0.000 0.267 489 T C 1.951 176.289 174.700 -0.603 0.000 1.059 489 T CA 0.416 62.075 62.100 -0.736 0.000 1.137 489 T CB -0.320 67.844 68.868 -1.173 0.000 0.879 489 T HN -0.046 nan 8.240 nan 0.000 0.467 490 L N 1.709 122.682 121.223 -0.416 0.000 2.156 490 L HA 0.101 4.440 4.340 -0.000 0.000 0.208 490 L C 2.151 178.867 176.870 -0.258 0.000 1.095 490 L CA 1.398 56.052 54.840 -0.310 0.000 0.770 490 L CB -0.879 41.114 42.059 -0.111 0.000 0.914 490 L HN 0.187 nan 8.230 nan 0.000 0.439 491 D N -2.021 118.251 120.400 -0.214 0.000 2.117 491 D HA -0.233 4.406 4.640 -0.000 0.000 0.198 491 D C 2.032 178.181 176.300 -0.251 0.000 0.982 491 D CA 1.029 54.904 54.000 -0.208 0.000 0.828 491 D CB -0.101 40.588 40.800 -0.185 0.000 0.967 491 D HN 0.322 nan 8.370 nan 0.000 0.464 492 Y N 0.954 121.018 120.300 -0.393 0.000 2.114 492 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 492 Y C 2.208 177.853 175.900 -0.425 0.000 1.143 492 Y CA 1.580 59.427 58.100 -0.422 0.000 1.135 492 Y CB -0.125 38.005 38.460 -0.550 0.000 0.980 492 Y HN -0.158 nan 8.280 nan 0.000 0.499 493 M N 0.544 119.935 119.600 -0.348 0.000 2.149 493 M HA -0.232 4.247 4.480 -0.000 0.000 0.261 493 M C 1.881 177.999 176.300 -0.303 0.000 1.064 493 M CA 1.661 56.734 55.300 -0.380 0.000 1.102 493 M CB -1.099 31.174 32.600 -0.545 0.000 1.369 493 M HN 0.264 nan 8.290 nan 0.000 0.408 494 K N 0.110 120.346 120.400 -0.274 0.000 2.283 494 K HA 0.036 4.355 4.320 -0.000 0.000 0.202 494 K C 0.605 177.084 176.600 -0.201 0.000 1.048 494 K CA 0.251 56.413 56.287 -0.209 0.000 0.948 494 K CB -0.227 32.165 32.500 -0.180 0.000 0.742 494 K HN 0.302 nan 8.250 nan 0.000 0.458 495 L N 2.141 123.207 121.223 -0.263 0.000 2.456 495 L HA -0.006 4.333 4.340 -0.000 0.000 0.272 495 L C 0.694 177.487 176.870 -0.128 0.000 1.189 495 L CA -0.256 54.459 54.840 -0.209 0.000 0.846 495 L CB 0.205 42.089 42.059 -0.293 0.000 1.111 495 L HN 0.150 nan 8.230 nan 0.000 0.475 496 D N 4.288 124.704 120.400 0.027 0.000 2.455 496 D HA 0.004 4.644 4.640 -0.000 0.000 0.241 496 D C -1.638 174.654 176.300 -0.012 0.000 1.138 496 D CA -1.235 52.796 54.000 0.051 0.000 0.877 496 D CB 1.715 42.630 40.800 0.191 0.000 1.187 496 D HN 0.258 nan 8.370 nan 0.000 0.451 497 P HA -0.212 nan 4.420 nan 0.000 0.218 497 P C 1.527 178.762 177.300 -0.109 0.000 1.154 497 P CA 0.638 63.690 63.100 -0.079 0.000 0.872 497 P CB 0.163 31.844 31.700 -0.032 0.000 0.790 498 V N -1.962 117.858 119.914 -0.156 0.000 2.688 498 V HA -0.244 3.876 4.120 -0.000 0.000 0.256 498 V C 1.491 177.384 176.094 -0.336 0.000 1.084 498 V CA 1.864 63.996 62.300 -0.280 0.000 1.103 498 V CB -1.100 30.487 31.823 -0.394 0.000 0.688 498 V HN 0.086 nan 8.190 nan 0.000 0.480 499 Y N -0.442 119.863 120.300 0.009 0.000 2.478 499 Y HA 0.248 4.798 4.550 -0.000 0.000 0.261 499 Y C 2.386 178.323 175.900 0.061 0.000 1.127 499 Y CA 0.295 58.483 58.100 0.146 0.000 1.288 499 Y CB -0.198 38.366 38.460 0.173 0.000 1.084 499 Y HN 0.135 nan 8.280 nan 0.000 0.530 500 R N 0.950 121.435 120.500 -0.024 0.000 2.193 500 R HA -0.191 4.148 4.340 -0.000 0.000 0.229 500 R C 2.258 178.542 176.300 -0.028 0.000 1.110 500 R CA 1.471 57.459 56.100 -0.188 0.000 0.988 500 R CB -0.202 29.835 30.300 -0.439 0.000 0.871 500 R HN 0.587 nan 8.270 nan 0.000 0.458 501 Q N -1.018 118.663 119.800 -0.197 0.000 2.224 501 Q HA -0.190 4.150 4.340 -0.000 0.000 0.203 501 Q C 0.781 176.591 176.000 -0.317 0.000 0.970 501 Q CA 1.522 57.144 55.803 -0.301 0.000 0.865 501 Q CB -0.201 28.204 28.738 -0.554 0.000 0.922 501 Q HN 0.507 nan 8.270 nan 0.000 0.445 502 Y N -0.334 119.930 120.300 -0.060 0.000 2.490 502 Y HA 0.127 4.676 4.550 -0.000 0.000 0.281 502 Y C 0.746 176.391 175.900 -0.424 0.000 1.174 502 Y CA 0.082 58.032 58.100 -0.249 0.000 1.295 502 Y CB 0.508 38.759 38.460 -0.348 0.000 1.062 502 Y HN 0.267 nan 8.280 nan 0.000 0.522 503 H N -1.629 117.550 119.070 0.181 0.000 2.651 503 H HA 0.119 4.675 4.556 -0.000 0.000 0.241 503 H C 1.031 176.501 175.328 0.236 0.000 1.225 503 H CA -0.135 56.007 56.048 0.157 0.000 0.942 503 H CB -0.169 29.643 29.762 0.085 0.000 1.996 503 H HN 0.504 nan 8.280 nan 0.000 0.600 504 H N 1.897 121.071 119.070 0.175 0.000 2.387 504 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 504 H C 1.423 176.764 175.328 0.022 0.000 1.099 504 H CA 1.747 57.853 56.048 0.097 0.000 1.315 504 H CB 0.502 30.282 29.762 0.030 0.000 1.380 504 H HN 0.516 nan 8.280 nan 0.000 0.513 505 D N 0.795 121.285 120.400 0.149 0.000 2.265 505 D HA -0.170 4.470 4.640 -0.000 0.000 0.208 505 D C 1.575 177.918 176.300 0.072 0.000 0.977 505 D CA 0.840 54.905 54.000 0.109 0.000 0.871 505 D CB -0.436 40.418 40.800 0.090 0.000 0.925 505 D HN 0.351 nan 8.370 nan 0.000 0.485 506 K N -0.784 119.622 120.400 0.010 0.000 2.442 506 K HA -0.001 4.318 4.320 -0.000 0.000 0.198 506 K C 1.260 177.718 176.600 -0.238 0.000 1.042 506 K CA 0.265 56.512 56.287 -0.067 0.000 0.958 506 K CB 0.282 32.763 32.500 -0.032 0.000 0.766 506 K HN 0.122 nan 8.250 nan 0.000 0.474 507 L N -0.706 120.309 121.223 -0.347 0.000 2.642 507 L HA 0.010 4.350 4.340 -0.000 0.000 0.233 507 L C 2.052 179.009 176.870 0.145 0.000 1.077 507 L CA 1.116 55.715 54.840 -0.401 0.000 0.879 507 L CB 0.347 41.789 42.059 -1.028 0.000 1.151 507 L HN 0.125 nan 8.230 nan 0.000 0.495 508 T N -4.769 109.897 114.554 0.187 0.000 3.037 508 T HA -0.019 4.331 4.350 -0.000 0.000 0.251 508 T C 1.785 176.771 174.700 0.477 0.000 1.079 508 T CA 0.188 62.573 62.100 0.476 0.000 1.067 508 T CB -0.497 68.459 68.868 0.146 0.000 0.948 508 T HN 0.106 nan 8.240 nan 0.000 0.496 509 F N 2.534 122.601 119.950 0.195 0.000 2.206 509 F HA 0.193 4.720 4.527 -0.000 0.000 0.298 509 F C 2.437 178.325 175.800 0.147 0.000 1.090 509 F CA 0.960 59.079 58.000 0.199 0.000 1.323 509 F CB -0.484 38.630 39.000 0.190 0.000 1.028 509 F HN 0.270 nan 8.300 nan 0.000 0.492 510 G N 0.917 109.790 108.800 0.121 0.000 2.505 510 G HA2 -0.383 3.576 3.960 -0.000 0.000 0.220 510 G HA3 -0.383 3.576 3.960 -0.000 0.000 0.220 510 G C 1.565 176.186 174.900 -0.465 0.000 1.145 510 G CA 1.300 46.275 45.100 -0.209 0.000 0.761 510 G HN 0.520 nan 8.290 nan 0.000 0.571 511 I N -0.306 120.180 120.570 -0.140 0.000 2.493 511 I HA 0.004 4.174 4.170 -0.000 0.000 0.254 511 I C 2.088 178.044 176.117 -0.269 0.000 1.160 511 I CA 0.809 61.852 61.300 -0.427 0.000 1.445 511 I CB -0.009 37.654 38.000 -0.562 0.000 1.086 511 I HN 0.028 nan 8.210 nan 0.000 0.433 512 L N 0.338 121.429 121.223 -0.220 0.000 2.201 512 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 512 L C 1.753 178.572 176.870 -0.085 0.000 1.105 512 L CA 1.708 56.476 54.840 -0.120 0.000 0.775 512 L CB -1.334 40.625 42.059 -0.166 0.000 0.913 512 L HN 0.693 nan 8.230 nan 0.000 0.440 513 Y N -4.273 115.906 120.300 -0.202 0.000 2.588 513 Y HA 0.316 4.866 4.550 -0.000 0.000 0.247 513 Y C 1.638 177.559 175.900 0.034 0.000 1.157 513 Y CA -0.555 57.504 58.100 -0.067 0.000 1.215 513 Y CB -1.372 37.032 38.460 -0.093 0.000 1.245 513 Y HN 0.097 nan 8.280 nan 0.000 0.534 514 N N 0.738 119.199 118.700 -0.398 0.000 2.289 514 N HA -0.220 4.520 4.740 -0.000 0.000 0.184 514 N C 0.113 175.354 175.510 -0.449 0.000 1.016 514 N CA 1.294 54.079 53.050 -0.442 0.000 0.872 514 N CB -0.187 37.746 38.487 -0.924 0.000 0.973 514 N HN 0.541 nan 8.380 nan 0.000 0.433 515 Y N 0.220 120.541 120.300 0.036 0.000 2.495 515 Y HA 0.131 4.680 4.550 -0.000 0.000 0.293 515 Y C 2.013 177.903 175.900 -0.017 0.000 1.186 515 Y CA 0.421 58.526 58.100 0.008 0.000 1.266 515 Y CB 0.029 38.482 38.460 -0.011 0.000 1.101 515 Y HN 0.142 nan 8.280 nan 0.000 0.517 516 T N -3.957 110.634 114.554 0.062 0.000 3.014 516 T HA 0.205 4.555 4.350 -0.000 0.000 0.250 516 T C 0.396 174.991 174.700 -0.174 0.000 1.060 516 T CA 0.155 62.259 62.100 0.006 0.000 1.040 516 T CB 0.498 69.425 68.868 0.098 0.000 0.971 516 T HN -0.046 nan 8.240 nan 0.000 0.497 517 E N 1.385 121.346 120.200 -0.398 0.000 2.413 517 E HA 0.364 4.714 4.350 -0.000 0.000 0.277 517 E C -1.412 174.703 176.600 -0.809 0.000 0.958 517 E CA -0.752 55.211 56.400 -0.728 0.000 0.779 517 E CB 1.454 30.408 29.700 -1.243 0.000 1.278 517 E HN 0.083 nan 8.360 nan 0.000 0.456 518 N N 1.779 120.028 118.700 -0.752 0.000 2.602 518 N HA 0.266 5.006 4.740 -0.000 0.000 0.238 518 N C -0.602 174.807 175.510 -0.167 0.000 1.084 518 N CA 0.047 52.572 53.050 -0.876 0.000 0.952 518 N CB -0.050 37.682 38.487 -1.258 0.000 1.244 518 N HN 0.212 nan 8.380 nan 0.000 0.512 519 F N 0.273 120.333 119.950 0.184 0.000 2.380 519 F HA 0.305 4.831 4.527 -0.000 0.000 0.325 519 F C 0.975 176.876 175.800 0.169 0.000 1.136 519 F CA -0.653 57.459 58.000 0.186 0.000 1.171 519 F CB 1.005 40.054 39.000 0.082 0.000 1.230 519 F HN -0.029 nan 8.300 nan 0.000 0.554 520 V N 3.684 123.791 119.914 0.322 0.000 2.487 520 V HA 0.282 4.401 4.120 -0.000 0.000 0.298 520 V C -0.276 175.695 176.094 -0.204 0.000 1.028 520 V CA -0.894 61.403 62.300 -0.005 0.000 0.860 520 V CB 1.809 33.613 31.823 -0.030 0.000 0.991 520 V HN 0.471 nan 8.190 nan 0.000 0.427 521 L N 8.218 129.178 121.223 -0.439 0.000 2.283 521 L HA 0.448 4.788 4.340 -0.000 0.000 0.287 521 L C -2.337 174.209 176.870 -0.540 0.000 1.073 521 L CA -1.180 53.247 54.840 -0.688 0.000 0.822 521 L CB 1.244 42.621 42.059 -1.136 0.000 1.186 521 L HN 0.429 nan 8.230 nan 0.000 0.436 522 P HA 0.361 nan 4.420 nan 0.000 0.301 522 P C -1.000 176.185 177.300 -0.193 0.000 1.361 522 P CA -0.721 62.087 63.100 -0.486 0.000 0.994 522 P CB 3.001 34.086 31.700 -1.024 0.000 1.234 523 L N 1.603 122.726 121.223 -0.167 0.000 2.594 523 L HA 0.238 4.578 4.340 -0.000 0.000 0.245 523 L C 0.949 177.789 176.870 -0.051 0.000 1.460 523 L CA -0.142 54.696 54.840 -0.003 0.000 0.865 523 L CB -0.159 41.966 42.059 0.109 0.000 1.131 523 L HN 0.437 nan 8.230 nan 0.000 0.506 524 S N -1.198 114.395 115.700 -0.177 0.000 2.626 524 S HA 0.089 4.558 4.470 -0.000 0.000 0.257 524 S C 1.549 175.936 174.600 -0.355 0.000 1.288 524 S CA 0.619 58.695 58.200 -0.208 0.000 0.980 524 S CB 0.371 63.466 63.200 -0.175 0.000 0.975 524 S HN 0.724 nan 8.310 nan 0.000 0.577 525 H N -1.269 117.324 119.070 -0.797 0.000 2.491 525 H HA 0.133 4.688 4.556 -0.000 0.000 0.290 525 H C 1.017 176.080 175.328 -0.441 0.000 1.050 525 H CA 1.290 56.534 56.048 -1.340 0.000 1.309 525 H CB -0.394 28.117 29.762 -2.084 0.000 1.392 525 H HN 0.537 nan 8.280 nan 0.000 0.554 526 D N 0.700 120.669 120.400 -0.719 0.000 2.269 526 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 526 D C 1.211 177.467 176.300 -0.072 0.000 0.963 526 D CA 0.677 54.510 54.000 -0.280 0.000 0.864 526 D CB 0.056 40.725 40.800 -0.219 0.000 0.936 526 D HN 0.546 nan 8.370 nan 0.000 0.505 527 E N 0.050 120.197 120.200 -0.089 0.000 2.479 527 E HA 0.013 4.362 4.350 -0.000 0.000 0.193 527 E C 1.185 177.802 176.600 0.029 0.000 1.049 527 E CA 0.131 56.533 56.400 0.003 0.000 0.870 527 E CB 0.665 30.374 29.700 0.016 0.000 0.944 527 E HN 0.207 nan 8.360 nan 0.000 0.492 528 V N -1.614 118.314 119.914 0.023 0.000 2.838 528 V HA 0.371 4.491 4.120 -0.000 0.000 0.363 528 V C 0.212 176.359 176.094 0.089 0.000 1.324 528 V CA -0.696 61.653 62.300 0.082 0.000 1.220 528 V CB -0.129 31.782 31.823 0.148 0.000 1.328 528 V HN -0.090 nan 8.190 nan 0.000 0.595 529 V N -4.265 115.658 119.914 0.016 0.000 3.181 529 V HA 0.680 4.800 4.120 -0.000 0.000 0.308 529 V C 0.280 176.323 176.094 -0.086 0.000 1.214 529 V CA -0.849 61.377 62.300 -0.123 0.000 1.053 529 V CB 1.554 33.190 31.823 -0.312 0.000 1.069 529 V HN 0.543 nan 8.190 nan 0.000 0.441 530 H N 0.779 119.928 119.070 0.130 0.000 2.604 530 H HA -0.171 4.384 4.556 -0.000 0.000 0.321 530 H C 1.467 176.831 175.328 0.059 0.000 1.132 530 H CA 1.597 57.700 56.048 0.091 0.000 1.129 530 H CB -1.572 28.249 29.762 0.099 0.000 1.526 530 H HN 2.275 nan 8.280 nan 0.000 0.415 531 G N -0.506 108.370 108.800 0.127 0.000 2.184 531 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.264 531 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.264 531 G C 1.228 176.163 174.900 0.059 0.000 0.975 531 G CA 0.650 45.798 45.100 0.079 0.000 0.642 531 G HN 0.549 nan 8.290 nan 0.000 0.536 532 K N 0.514 120.955 120.400 0.068 0.000 2.486 532 K HA 0.179 4.499 4.320 -0.000 0.000 0.194 532 K C 1.051 177.670 176.600 0.032 0.000 1.033 532 K CA 0.683 57.000 56.287 0.050 0.000 1.004 532 K CB 0.069 32.608 32.500 0.065 0.000 0.798 532 K HN 0.554 nan 8.250 nan 0.000 0.495 533 K N 0.260 120.679 120.400 0.032 0.000 0.847 533 K HA -0.169 4.151 4.320 -0.000 0.000 0.800 533 K C 0.196 176.813 176.600 0.029 0.000 2.306 533 K CA 0.675 56.975 56.287 0.021 0.000 1.514 533 K CB -0.821 31.680 32.500 0.000 0.000 2.737 533 K HN 0.399 nan 8.250 nan 0.000 0.219 534 S N -0.113 115.599 115.700 0.019 0.000 2.634 534 S HA 0.194 4.664 4.470 -0.000 0.000 0.254 534 S C 1.471 176.082 174.600 0.018 0.000 1.299 534 S CA -0.544 57.670 58.200 0.024 0.000 0.974 534 S CB 0.361 63.558 63.200 -0.005 0.000 1.001 534 S HN 0.447 nan 8.310 nan 0.000 0.584 535 I N 0.032 120.623 120.570 0.035 0.000 2.584 535 I HA 0.028 4.198 4.170 -0.000 0.000 0.255 535 I C 2.197 178.291 176.117 -0.039 0.000 1.145 535 I CA 0.642 61.973 61.300 0.052 0.000 1.462 535 I CB -1.510 36.585 38.000 0.158 0.000 1.102 535 I HN 0.594 nan 8.210 nan 0.000 0.433 536 L N 1.575 122.745 121.223 -0.089 0.000 1.976 536 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 536 L C 1.842 178.582 176.870 -0.216 0.000 1.071 536 L CA 2.085 56.794 54.840 -0.218 0.000 0.746 536 L CB -0.918 40.994 42.059 -0.245 0.000 0.890 536 L HN 0.089 nan 8.230 nan 0.000 0.432 537 D N -0.733 119.582 120.400 -0.141 0.000 2.354 537 D HA -0.155 4.485 4.640 -0.000 0.000 0.216 537 D C 2.239 178.476 176.300 -0.105 0.000 0.970 537 D CA 0.629 54.559 54.000 -0.116 0.000 0.905 537 D CB -0.078 40.684 40.800 -0.064 0.000 0.903 537 D HN 0.320 nan 8.370 nan 0.000 0.508 538 R N -0.665 119.774 120.500 -0.102 0.000 2.193 538 R HA 0.053 4.393 4.340 -0.000 0.000 0.213 538 R C 0.415 176.636 176.300 -0.131 0.000 1.055 538 R CA 0.269 56.311 56.100 -0.098 0.000 0.995 538 R CB 0.211 30.464 30.300 -0.078 0.000 0.893 538 R HN 0.069 nan 8.270 nan 0.000 0.459 539 M N 1.904 121.407 119.600 -0.161 0.000 2.233 539 M HA 0.203 4.683 4.480 -0.000 0.000 0.350 539 M C -2.111 174.099 176.300 -0.150 0.000 1.176 539 M CA -2.452 52.743 55.300 -0.175 0.000 1.150 539 M CB 0.541 33.006 32.600 -0.225 0.000 1.530 539 M HN -0.103 nan 8.290 nan 0.000 0.459 540 P HA 0.609 nan 4.420 nan 0.000 0.285 540 P C 0.018 177.278 177.300 -0.067 0.000 1.269 540 P CA 0.126 63.175 63.100 -0.085 0.000 0.844 540 P CB 1.664 33.323 31.700 -0.070 0.000 1.094 541 G N 2.056 110.832 108.800 -0.040 0.000 2.526 541 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.250 541 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.250 541 G C -1.063 173.827 174.900 -0.017 0.000 1.289 541 G CA -0.152 44.941 45.100 -0.012 0.000 0.947 541 G HN 0.813 nan 8.290 nan 0.000 0.517 542 D N 0.104 120.517 120.400 0.022 0.000 2.383 542 D HA 0.663 5.303 4.640 -0.000 0.000 0.248 542 D C 1.764 178.053 176.300 -0.019 0.000 1.170 542 D CA 0.832 54.849 54.000 0.029 0.000 0.977 542 D CB 0.469 41.319 40.800 0.083 0.000 1.120 542 D HN 1.462 nan 8.370 nan 0.000 0.481 543 A N 0.396 123.196 122.820 -0.035 0.000 1.894 543 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 543 A C 2.012 179.371 177.584 -0.376 0.000 1.237 543 A CA 2.416 54.345 52.037 -0.181 0.000 0.660 543 A CB -1.827 17.105 19.000 -0.113 0.000 0.835 543 A HN 0.834 nan 8.150 nan 0.000 0.461 544 W N 0.257 121.307 121.300 -0.416 0.000 2.338 544 W HA -0.222 4.437 4.660 -0.000 0.000 0.304 544 W C 2.551 178.968 176.519 -0.170 0.000 1.212 544 W CA 2.177 59.328 57.345 -0.324 0.000 1.264 544 W CB -0.205 29.269 29.460 0.024 0.000 1.142 544 W HN 0.500 nan 8.180 nan 0.000 0.512 545 Q N -0.225 119.692 119.800 0.195 0.000 2.172 545 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 545 Q C 2.071 177.982 176.000 -0.148 0.000 0.964 545 Q CA 1.467 57.340 55.803 0.117 0.000 0.855 545 Q CB -0.177 28.658 28.738 0.162 0.000 0.918 545 Q HN 0.337 nan 8.270 nan 0.000 0.444 546 K N -0.183 120.063 120.400 -0.257 0.000 2.097 546 K HA -0.096 4.223 4.320 -0.000 0.000 0.205 546 K C 1.698 177.970 176.600 -0.546 0.000 1.050 546 K CA 1.111 57.160 56.287 -0.397 0.000 0.938 546 K CB -0.040 32.164 32.500 -0.492 0.000 0.718 546 K HN 0.114 nan 8.250 nan 0.000 0.442 547 F N 1.048 120.663 119.950 -0.559 0.000 2.163 547 F HA -0.082 4.444 4.527 -0.000 0.000 0.297 547 F C 2.539 178.028 175.800 -0.518 0.000 1.094 547 F CA 0.944 58.596 58.000 -0.580 0.000 1.290 547 F CB -0.420 38.072 39.000 -0.846 0.000 1.017 547 F HN 0.004 nan 8.300 nan 0.000 0.483 548 A N 0.173 122.692 122.820 -0.502 0.000 1.933 548 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 548 A C 2.151 179.611 177.584 -0.207 0.000 1.175 548 A CA 1.869 53.630 52.037 -0.460 0.000 0.628 548 A CB -0.772 17.820 19.000 -0.680 0.000 0.814 548 A HN 0.352 nan 8.150 nan 0.000 0.444 549 N N -0.338 118.256 118.700 -0.177 0.000 2.106 549 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 549 N C 1.704 177.171 175.510 -0.072 0.000 1.029 549 N CA 1.550 54.555 53.050 -0.074 0.000 0.848 549 N CB -0.432 37.995 38.487 -0.100 0.000 1.007 549 N HN 0.386 nan 8.380 nan 0.000 0.423 550 L N 2.149 123.252 121.223 -0.199 0.000 2.013 550 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 550 L C 2.370 179.013 176.870 -0.379 0.000 1.073 550 L CA 1.612 56.264 54.840 -0.312 0.000 0.753 550 L CB -0.425 41.395 42.059 -0.398 0.000 0.890 550 L HN 0.061 nan 8.230 nan 0.000 0.432 551 R N -0.944 119.415 120.500 -0.234 0.000 2.070 551 R HA -0.146 4.194 4.340 -0.000 0.000 0.233 551 R C 2.243 178.534 176.300 -0.016 0.000 1.137 551 R CA 1.439 57.450 56.100 -0.149 0.000 0.945 551 R CB -0.743 29.481 30.300 -0.126 0.000 0.845 551 R HN 0.532 nan 8.270 nan 0.000 0.430 552 A N 0.419 123.255 122.820 0.028 0.000 1.940 552 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 552 A C 2.005 179.812 177.584 0.373 0.000 1.176 552 A CA 1.350 53.451 52.037 0.107 0.000 0.631 552 A CB -0.882 18.113 19.000 -0.009 0.000 0.814 552 A HN 0.568 nan 8.150 nan 0.000 0.446 553 Y N -1.526 118.915 120.300 0.235 0.000 2.181 553 Y HA -0.287 4.263 4.550 -0.000 0.000 0.288 553 Y C 2.273 178.500 175.900 0.545 0.000 1.146 553 Y CA 1.630 59.944 58.100 0.356 0.000 1.164 553 Y CB -0.180 38.356 38.460 0.126 0.000 0.982 553 Y HN 0.382 nan 8.280 nan 0.000 0.515 554 Y N 0.138 120.572 120.300 0.223 0.000 2.293 554 Y HA -0.058 4.492 4.550 -0.000 0.000 0.291 554 Y C 2.587 178.688 175.900 0.335 0.000 1.137 554 Y CA 0.690 58.905 58.100 0.191 0.000 1.202 554 Y CB -1.320 37.129 38.460 -0.019 0.000 0.990 554 Y HN 0.221 nan 8.280 nan 0.000 0.537 555 G N -0.907 108.140 108.800 0.411 0.000 2.422 555 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 555 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 555 G C 1.643 176.972 174.900 0.716 0.000 1.140 555 G CA 0.521 45.840 45.100 0.364 0.000 0.775 555 G HN 0.532 nan 8.290 nan 0.000 0.545 556 W N 0.619 122.260 121.300 0.567 0.000 2.441 556 W HA 0.082 4.742 4.660 -0.000 0.000 0.302 556 W C 2.219 179.145 176.519 0.677 0.000 1.191 556 W CA 0.977 58.718 57.345 0.660 0.000 1.327 556 W CB -0.248 29.637 29.460 0.709 0.000 1.128 556 W HN 0.262 nan 8.180 nan 0.000 0.522 557 M N -0.018 120.072 119.600 0.818 0.000 2.108 557 M HA -0.265 4.215 4.480 -0.000 0.000 0.261 557 M C 2.117 178.548 176.300 0.219 0.000 1.066 557 M CA 2.179 57.809 55.300 0.550 0.000 1.107 557 M CB -0.916 31.942 32.600 0.429 0.000 1.356 557 M HN 0.044 nan 8.290 nan 0.000 0.406 558 W N -0.189 121.225 121.300 0.189 0.000 2.595 558 W HA 0.015 4.675 4.660 -0.000 0.000 0.257 558 W C 1.943 178.547 176.519 0.142 0.000 1.267 558 W CA 1.033 58.437 57.345 0.098 0.000 1.300 558 W CB 0.001 29.600 29.460 0.232 0.000 1.120 558 W HN 0.418 nan 8.180 nan 0.000 0.618 559 A N -1.346 121.696 122.820 0.370 0.000 2.252 559 A HA 0.078 4.398 4.320 -0.000 0.000 0.213 559 A C 0.173 177.790 177.584 0.054 0.000 1.188 559 A CA -0.237 51.838 52.037 0.064 0.000 0.863 559 A CB -0.499 18.481 19.000 -0.034 0.000 0.893 559 A HN 0.009 nan 8.150 nan 0.000 0.495 560 F N 1.375 121.203 119.950 -0.203 0.000 2.412 560 F HA 0.450 4.977 4.527 -0.000 0.000 0.348 560 F C -2.320 173.210 175.800 -0.450 0.000 1.102 560 F CA -2.481 55.244 58.000 -0.458 0.000 1.196 560 F CB 0.729 39.455 39.000 -0.456 0.000 1.144 560 F HN -0.068 nan 8.300 nan 0.000 0.541 561 P HA 0.232 nan 4.420 nan 0.000 0.263 561 P C -0.591 176.396 177.300 -0.521 0.000 1.175 561 P CA 0.946 63.577 63.100 -0.781 0.000 0.761 561 P CB 0.157 31.234 31.700 -1.037 0.000 0.794 562 G N 1.205 109.788 108.800 -0.362 0.000 2.640 562 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.686 562 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.686 562 G C -1.077 173.706 174.900 -0.195 0.000 1.229 562 G CA -1.016 43.990 45.100 -0.156 0.000 0.796 562 G HN 0.326 nan 8.290 nan 0.000 0.654 563 K N 0.313 120.671 120.400 -0.071 0.000 2.187 563 K HA 0.496 4.815 4.320 -0.000 0.000 0.247 563 K C 0.304 176.673 176.600 -0.385 0.000 1.019 563 K CA -0.071 56.113 56.287 -0.171 0.000 0.893 563 K CB 0.513 32.918 32.500 -0.159 0.000 1.025 563 K HN 0.445 nan 8.250 nan 0.000 0.500 564 K N 0.596 120.700 120.400 -0.493 0.000 2.207 564 K HA 0.534 4.854 4.320 -0.000 0.000 0.255 564 K C -0.689 175.641 176.600 -0.451 0.000 0.941 564 K CA -0.519 55.355 56.287 -0.688 0.000 0.825 564 K CB 1.238 33.020 32.500 -1.196 0.000 1.119 564 K HN 0.492 nan 8.250 nan 0.000 0.430 565 L N 3.132 124.089 121.223 -0.442 0.000 2.476 565 L HA 0.561 4.901 4.340 -0.000 0.000 0.269 565 L C -1.928 174.824 176.870 -0.196 0.000 0.965 565 L CA -1.005 53.668 54.840 -0.279 0.000 0.845 565 L CB 1.306 43.129 42.059 -0.392 0.000 1.259 565 L HN 0.548 nan 8.230 nan 0.000 0.403 566 L N 4.457 125.676 121.223 -0.005 0.000 2.385 566 L HA 0.572 4.912 4.340 -0.000 0.000 0.273 566 L C -1.203 175.733 176.870 0.111 0.000 0.990 566 L CA -0.172 54.731 54.840 0.105 0.000 0.821 566 L CB 1.792 44.039 42.059 0.314 0.000 1.279 566 L HN 0.546 nan 8.230 nan 0.000 0.412 567 F N 5.765 125.672 119.950 -0.072 0.000 2.396 567 F HA 0.474 5.001 4.527 -0.000 0.000 0.343 567 F C 0.580 176.291 175.800 -0.149 0.000 1.104 567 F CA -1.013 56.877 58.000 -0.183 0.000 1.161 567 F CB 1.003 39.892 39.000 -0.185 0.000 1.146 567 F HN 0.626 nan 8.300 nan 0.000 0.522 568 M N 4.511 123.387 119.600 -1.206 0.000 2.226 568 M HA 0.274 4.754 4.480 -0.000 0.000 0.352 568 M C 0.918 176.863 176.300 -0.592 0.000 1.226 568 M CA 1.227 56.086 55.300 -0.735 0.000 0.943 568 M CB -0.592 31.562 32.600 -0.743 0.000 1.805 568 M HN 1.026 nan 8.290 nan 0.000 0.465 569 G N 2.515 111.124 108.800 -0.319 0.000 2.308 569 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.221 569 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.221 569 G C 0.685 175.148 174.900 -0.729 0.000 1.032 569 G CA 0.482 45.120 45.100 -0.769 0.000 0.623 569 G HN 0.865 nan 8.290 nan 0.000 0.506 570 N N 1.100 119.660 118.700 -0.233 0.000 2.270 570 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 570 N C 2.075 177.628 175.510 0.071 0.000 1.016 570 N CA 1.104 54.150 53.050 -0.007 0.000 0.870 570 N CB -0.189 38.390 38.487 0.153 0.000 0.979 570 N HN 0.719 nan 8.380 nan 0.000 0.431 571 E N 1.670 121.940 120.200 0.116 0.000 2.204 571 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 571 E C 0.666 177.464 176.600 0.330 0.000 0.990 571 E CA 1.144 57.700 56.400 0.259 0.000 0.821 571 E CB -0.308 29.653 29.700 0.434 0.000 0.750 571 E HN 0.625 nan 8.360 nan 0.000 0.477 572 F N -1.453 118.603 119.950 0.176 0.000 2.735 572 F HA 0.738 5.264 4.527 -0.000 0.000 0.308 572 F C 0.437 176.395 175.800 0.262 0.000 1.112 572 F CA -0.776 57.329 58.000 0.174 0.000 1.235 572 F CB 0.172 39.210 39.000 0.062 0.000 1.027 572 F HN 0.055 nan 8.300 nan 0.000 0.528 573 A N 1.178 124.030 122.820 0.054 0.000 2.475 573 A HA -0.298 4.022 4.320 -0.000 0.000 0.295 573 A C 0.479 178.086 177.584 0.038 0.000 1.457 573 A CA 0.957 53.054 52.037 0.101 0.000 0.734 573 A CB -2.341 16.830 19.000 0.284 0.000 1.118 573 A HN 0.822 nan 8.150 nan 0.000 0.400 574 Q N -0.120 119.463 119.800 -0.361 0.000 2.349 574 Q HA 0.350 4.690 4.340 -0.000 0.000 0.287 574 Q C 1.456 177.410 176.000 -0.077 0.000 1.044 574 Q CA 0.910 56.532 55.803 -0.302 0.000 0.918 574 Q CB 0.511 28.986 28.738 -0.439 0.000 1.242 574 Q HN 0.998 nan 8.270 nan 0.000 0.405 575 G N 4.176 112.967 108.800 -0.016 0.000 2.425 575 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.213 575 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.213 575 G C 0.196 175.103 174.900 0.011 0.000 1.201 575 G CA -0.065 45.054 45.100 0.032 0.000 0.799 575 G HN 0.582 nan 8.290 nan 0.000 0.534 576 R N 1.340 121.850 120.500 0.017 0.000 2.707 576 R HA 0.321 4.661 4.340 -0.000 0.000 0.270 576 R C 0.208 176.527 176.300 0.032 0.000 1.083 576 R CA -0.142 55.973 56.100 0.026 0.000 1.182 576 R CB 0.497 30.819 30.300 0.036 0.000 1.084 576 R HN 0.572 nan 8.270 nan 0.000 0.528 577 E N 0.878 121.104 120.200 0.043 0.000 2.374 577 E HA -0.016 4.334 4.350 -0.000 0.000 0.260 577 E C -0.745 175.929 176.600 0.125 0.000 1.101 577 E CA -0.734 55.714 56.400 0.080 0.000 0.907 577 E CB 0.493 30.229 29.700 0.059 0.000 1.014 577 E HN 0.458 nan 8.360 nan 0.000 0.427 578 W N 3.068 124.373 121.300 0.008 0.000 2.385 578 W HA -0.035 4.624 4.660 -0.000 0.000 0.336 578 W C -0.598 175.917 176.519 -0.006 0.000 1.351 578 W CA 0.040 57.404 57.345 0.032 0.000 1.295 578 W CB -0.042 29.511 29.460 0.155 0.000 1.239 578 W HN 0.613 nan 8.180 nan 0.000 0.565 579 N N 4.188 122.641 118.700 -0.412 0.000 2.446 579 N HA 0.065 4.805 4.740 -0.000 0.000 0.265 579 N C 0.885 175.975 175.510 -0.700 0.000 0.975 579 N CA -0.548 52.181 53.050 -0.536 0.000 0.928 579 N CB 0.570 38.932 38.487 -0.208 0.000 1.160 579 N HN 0.698 nan 8.380 nan 0.000 0.495 580 H N 1.487 120.021 119.070 -0.894 0.000 2.524 580 H HA 0.023 4.578 4.556 -0.000 0.000 0.282 580 H C 0.509 175.914 175.328 0.128 0.000 1.016 580 H CA 0.754 56.542 56.048 -0.434 0.000 1.270 580 H CB 0.219 29.655 29.762 -0.545 0.000 1.394 580 H HN 0.465 nan 8.280 nan 0.000 0.568 581 D N 0.444 120.574 120.400 -0.451 0.000 2.395 581 D HA 0.370 5.010 4.640 -0.000 0.000 0.226 581 D C -0.050 176.247 176.300 -0.004 0.000 1.146 581 D CA 0.412 54.323 54.000 -0.147 0.000 0.830 581 D CB 0.045 40.648 40.800 -0.328 0.000 0.958 581 D HN 0.576 nan 8.370 nan 0.000 0.501 582 A N -0.617 122.249 122.820 0.076 0.000 2.524 582 A HA 0.475 4.795 4.320 -0.000 0.000 0.303 582 A C -0.820 176.876 177.584 0.187 0.000 1.195 582 A CA -0.526 51.572 52.037 0.100 0.000 0.651 582 A CB 1.221 20.246 19.000 0.042 0.000 1.323 582 A HN 0.029 nan 8.150 nan 0.000 0.479 583 S N -1.114 114.682 115.700 0.161 0.000 2.652 583 S HA 0.498 4.968 4.470 -0.000 0.000 0.270 583 S C 0.491 175.181 174.600 0.149 0.000 1.243 583 S CA -0.565 57.747 58.200 0.187 0.000 0.999 583 S CB 0.359 63.662 63.200 0.172 0.000 0.973 583 S HN 0.638 nan 8.310 nan 0.000 0.544 584 L N 2.494 123.772 121.223 0.092 0.000 2.869 584 L HA 0.032 4.372 4.340 -0.000 0.000 0.259 584 L C -0.011 176.685 176.870 -0.290 0.000 1.162 584 L CA 0.438 55.180 54.840 -0.164 0.000 0.975 584 L CB -1.190 40.589 42.059 -0.467 0.000 1.217 584 L HN 0.775 nan 8.230 nan 0.000 0.418 585 D N -2.368 117.973 120.400 -0.098 0.000 2.837 585 D HA -0.240 4.400 4.640 -0.000 0.000 0.230 585 D C 0.574 176.627 176.300 -0.411 0.000 1.152 585 D CA 0.715 54.604 54.000 -0.184 0.000 0.736 585 D CB -1.317 39.379 40.800 -0.173 0.000 1.084 585 D HN 0.423 nan 8.370 nan 0.000 0.429 586 W N 0.096 121.235 121.300 -0.267 0.000 2.468 586 W HA -0.114 4.546 4.660 -0.000 0.000 0.262 586 W C 2.509 178.811 176.519 -0.362 0.000 1.241 586 W CA 1.162 58.233 57.345 -0.457 0.000 1.232 586 W CB -0.522 28.684 29.460 -0.424 0.000 1.124 586 W HN 0.498 nan 8.180 nan 0.000 0.597 587 H N -0.698 118.395 119.070 0.037 0.000 2.518 587 H HA -0.107 4.449 4.556 -0.000 0.000 0.289 587 H C 1.796 177.106 175.328 -0.029 0.000 1.051 587 H CA 1.179 57.234 56.048 0.012 0.000 1.280 587 H CB -0.763 29.008 29.762 0.016 0.000 1.380 587 H HN 0.253 nan 8.280 nan 0.000 0.566 588 L N 0.675 121.557 121.223 -0.569 0.000 2.046 588 L HA -0.059 4.280 4.340 -0.000 0.000 0.208 588 L C 1.414 178.135 176.870 -0.249 0.000 1.077 588 L CA 0.677 55.265 54.840 -0.421 0.000 0.747 588 L CB -0.126 41.562 42.059 -0.617 0.000 0.896 588 L HN 0.145 nan 8.230 nan 0.000 0.432 589 L N -0.541 120.506 121.223 -0.293 0.000 2.490 589 L HA 0.153 4.493 4.340 -0.000 0.000 0.245 589 L C 0.327 177.201 176.870 0.007 0.000 1.185 589 L CA -0.449 54.195 54.840 -0.327 0.000 0.813 589 L CB 0.397 42.278 42.059 -0.297 0.000 1.233 589 L HN 0.115 nan 8.230 nan 0.000 0.489 590 E N 0.386 120.731 120.200 0.241 0.000 6.582 590 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 590 E C -0.056 176.635 176.600 0.151 0.000 1.234 590 E CA 0.385 56.890 56.400 0.175 0.000 1.476 590 E CB -1.150 28.607 29.700 0.096 0.000 0.955 590 E HN 1.002 nan 8.360 nan 0.000 0.300 591 G N 1.957 110.843 108.800 0.142 0.000 2.363 591 G HA2 0.439 4.398 3.960 -0.000 0.000 0.213 591 G HA3 0.439 4.398 3.960 -0.000 0.000 0.213 591 G C 0.416 175.364 174.900 0.081 0.000 1.028 591 G CA 0.314 45.473 45.100 0.098 0.000 0.822 591 G HN 1.690 nan 8.290 nan 0.000 0.536 592 G N -0.281 108.553 108.800 0.056 0.000 3.367 592 G HA2 0.367 4.327 3.960 -0.000 0.000 0.686 592 G HA3 0.367 4.327 3.960 -0.000 0.000 0.686 592 G C -0.533 174.348 174.900 -0.032 0.000 1.146 592 G CA 0.116 45.210 45.100 -0.009 0.000 0.913 592 G HN 0.904 nan 8.290 nan 0.000 0.554 593 D N 0.695 120.985 120.400 -0.183 0.000 2.662 593 D HA 0.320 4.960 4.640 -0.000 0.000 0.237 593 D C 1.021 177.336 176.300 0.025 0.000 1.154 593 D CA 1.513 55.391 54.000 -0.202 0.000 0.861 593 D CB 0.322 41.066 40.800 -0.094 0.000 1.146 593 D HN 0.788 nan 8.370 nan 0.000 0.518 594 N N 1.866 120.688 118.700 0.203 0.000 3.091 594 N HA 0.309 5.049 4.740 -0.000 0.000 0.329 594 N C 0.491 175.612 175.510 -0.649 0.000 1.430 594 N CA -0.873 51.980 53.050 -0.329 0.000 0.755 594 N CB -0.017 38.421 38.487 -0.081 0.000 1.626 594 N HN 0.206 nan 8.380 nan 0.000 0.614 595 W N 0.138 120.950 121.300 -0.813 0.000 2.342 595 W HA -0.123 4.536 4.660 -0.000 0.000 0.297 595 W C 1.813 177.946 176.519 -0.643 0.000 1.213 595 W CA 1.371 58.075 57.345 -1.068 0.000 1.251 595 W CB -0.948 27.215 29.460 -2.162 0.000 1.136 595 W HN 0.596 nan 8.180 nan 0.000 0.526 596 H N -1.662 117.382 119.070 -0.043 0.000 2.387 596 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 596 H C 2.014 177.395 175.328 0.088 0.000 1.090 596 H CA 1.563 57.673 56.048 0.103 0.000 1.332 596 H CB -0.679 29.129 29.762 0.077 0.000 1.386 596 H HN 0.268 nan 8.280 nan 0.000 0.516 597 H N -0.069 119.121 119.070 0.201 0.000 2.353 597 H HA -0.064 4.492 4.556 -0.000 0.000 0.300 597 H C 2.534 177.976 175.328 0.190 0.000 1.090 597 H CA 1.172 57.329 56.048 0.182 0.000 1.327 597 H CB -0.497 29.346 29.762 0.134 0.000 1.383 597 H HN 0.431 nan 8.280 nan 0.000 0.508 598 G N 0.410 109.414 108.800 0.339 0.000 2.422 598 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 598 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 598 G C 1.967 177.024 174.900 0.261 0.000 1.146 598 G CA 0.927 46.247 45.100 0.367 0.000 0.769 598 G HN 0.249 nan 8.290 nan 0.000 0.547 599 V N 0.367 120.406 119.914 0.209 0.000 2.307 599 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 599 V C 2.751 178.932 176.094 0.145 0.000 1.045 599 V CA 2.258 64.655 62.300 0.162 0.000 1.024 599 V CB -0.454 31.520 31.823 0.251 0.000 0.651 599 V HN 0.496 nan 8.190 nan 0.000 0.449 600 Q N -0.049 119.892 119.800 0.235 0.000 2.061 600 Q HA -0.287 4.053 4.340 -0.000 0.000 0.204 600 Q C 2.433 178.512 176.000 0.132 0.000 0.984 600 Q CA 2.099 58.048 55.803 0.243 0.000 0.846 600 Q CB -0.098 28.846 28.738 0.345 0.000 0.902 600 Q HN 0.496 nan 8.270 nan 0.000 0.421 601 R N -0.206 120.393 120.500 0.165 0.000 2.091 601 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 601 R C 2.305 178.647 176.300 0.071 0.000 1.136 601 R CA 1.428 57.627 56.100 0.165 0.000 0.959 601 R CB -0.321 30.099 30.300 0.200 0.000 0.856 601 R HN 0.325 nan 8.270 nan 0.000 0.437 602 L N -0.095 121.025 121.223 -0.171 0.000 2.056 602 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 602 L C 1.908 178.483 176.870 -0.492 0.000 1.078 602 L CA 1.504 55.951 54.840 -0.656 0.000 0.749 602 L CB -0.389 41.083 42.059 -0.979 0.000 0.901 602 L HN -0.018 nan 8.230 nan 0.000 0.433 603 V N 0.292 119.974 119.914 -0.386 0.000 2.332 603 V HA -0.323 3.796 4.120 -0.000 0.000 0.248 603 V C 2.812 178.555 176.094 -0.586 0.000 1.055 603 V CA 2.183 64.137 62.300 -0.578 0.000 1.038 603 V CB -0.814 30.789 31.823 -0.368 0.000 0.651 603 V HN 0.567 nan 8.190 nan 0.000 0.450 604 R N 0.125 120.392 120.500 -0.388 0.000 2.073 604 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 604 R C 2.017 178.104 176.300 -0.354 0.000 1.134 604 R CA 2.136 57.997 56.100 -0.399 0.000 0.952 604 R CB -0.378 29.730 30.300 -0.319 0.000 0.850 604 R HN 0.476 nan 8.270 nan 0.000 0.433 605 D N 0.374 120.611 120.400 -0.273 0.000 2.144 605 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 605 D C 1.824 177.959 176.300 -0.274 0.000 0.984 605 D CA 0.708 54.589 54.000 -0.200 0.000 0.834 605 D CB -0.038 40.721 40.800 -0.068 0.000 0.955 605 D HN 0.158 nan 8.370 nan 0.000 0.465 606 L N 1.234 122.163 121.223 -0.489 0.000 2.017 606 L HA -0.106 4.233 4.340 -0.000 0.000 0.208 606 L C 1.989 178.707 176.870 -0.254 0.000 1.073 606 L CA 1.365 55.842 54.840 -0.605 0.000 0.745 606 L CB -1.307 39.956 42.059 -1.327 0.000 0.894 606 L HN 0.025 nan 8.230 nan 0.000 0.432 607 N N -0.049 118.446 118.700 -0.342 0.000 2.025 607 N HA -0.186 4.554 4.740 -0.000 0.000 0.194 607 N C 1.944 177.521 175.510 0.111 0.000 1.044 607 N CA 1.374 54.423 53.050 -0.001 0.000 0.851 607 N CB -0.431 37.876 38.487 -0.301 0.000 1.036 607 N HN 0.281 nan 8.380 nan 0.000 0.422 608 L N 0.378 121.570 121.223 -0.051 0.000 2.131 608 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 608 L C 2.105 179.029 176.870 0.091 0.000 1.092 608 L CA 1.054 55.877 54.840 -0.028 0.000 0.759 608 L CB -0.667 41.306 42.059 -0.144 0.000 0.903 608 L HN 0.169 nan 8.230 nan 0.000 0.435 609 T N -1.559 113.097 114.554 0.171 0.000 2.896 609 T HA -0.171 4.179 4.350 -0.000 0.000 0.263 609 T C 1.681 176.727 174.700 0.577 0.000 1.050 609 T CA 0.808 63.124 62.100 0.359 0.000 1.140 609 T CB -0.301 68.784 68.868 0.361 0.000 0.877 609 T HN 0.291 nan 8.240 nan 0.000 0.457 610 Y N 2.949 123.538 120.300 0.481 0.000 2.128 610 Y HA -0.046 4.503 4.550 -0.000 0.000 0.284 610 Y C 0.897 177.057 175.900 0.434 0.000 1.154 610 Y CA 0.906 59.311 58.100 0.507 0.000 1.149 610 Y CB -0.270 38.539 38.460 0.582 0.000 0.976 610 Y HN 0.028 nan 8.280 nan 0.000 0.505 611 R N -0.615 119.977 120.500 0.153 0.000 2.531 611 R HA 0.298 4.638 4.340 -0.000 0.000 0.273 611 R C 0.167 176.574 176.300 0.178 0.000 1.070 611 R CA 0.518 56.608 56.100 -0.018 0.000 1.112 611 R CB 0.745 31.029 30.300 -0.025 0.000 1.049 611 R HN 0.613 nan 8.270 nan 0.000 0.508 612 H N -0.922 118.162 119.070 0.024 0.000 4.636 612 H HA -0.181 4.375 4.556 -0.000 0.000 0.088 612 H C -0.682 174.535 175.328 -0.184 0.000 0.616 612 H CA 1.012 56.998 56.048 -0.105 0.000 0.985 612 H CB -0.852 28.796 29.762 -0.189 0.000 0.416 612 H HN 0.662 nan 8.280 nan 0.000 0.791 613 H N 2.148 121.245 119.070 0.046 0.000 2.741 613 H HA 0.256 4.811 4.556 -0.000 0.000 0.282 613 H C 1.084 176.213 175.328 -0.331 0.000 1.122 613 H CA 0.161 56.147 56.048 -0.103 0.000 1.293 613 H CB 1.548 31.322 29.762 0.020 0.000 1.415 613 H HN 0.286 nan 8.280 nan 0.000 0.472 614 K N 3.038 123.266 120.400 -0.287 0.000 2.160 614 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 614 K C 1.995 178.246 176.600 -0.582 0.000 1.047 614 K CA 1.254 57.206 56.287 -0.558 0.000 0.930 614 K CB -0.028 32.335 32.500 -0.227 0.000 0.720 614 K HN 0.656 nan 8.250 nan 0.000 0.450 615 A N 0.225 122.865 122.820 -0.299 0.000 1.948 615 A HA -0.191 4.128 4.320 -0.000 0.000 0.220 615 A C 1.784 179.201 177.584 -0.278 0.000 1.177 615 A CA 1.770 53.665 52.037 -0.236 0.000 0.636 615 A CB -0.409 18.492 19.000 -0.164 0.000 0.815 615 A HN 0.206 nan 8.150 nan 0.000 0.449 616 M N -0.488 118.935 119.600 -0.294 0.000 2.619 616 M HA 0.013 4.493 4.480 -0.000 0.000 0.251 616 M C 1.109 177.367 176.300 -0.070 0.000 1.106 616 M CA 1.565 56.763 55.300 -0.170 0.000 1.086 616 M CB -1.154 31.445 32.600 -0.003 0.000 1.465 616 M HN 0.913 nan 8.290 nan 0.000 0.506 617 H N -3.832 115.156 119.070 -0.137 0.000 3.943 617 H HA 0.274 4.830 4.556 -0.000 0.000 0.265 617 H C 1.360 176.602 175.328 -0.142 0.000 1.133 617 H CA 0.174 56.130 56.048 -0.154 0.000 1.188 617 H CB -0.384 29.168 29.762 -0.350 0.000 1.486 617 H HN 0.248 nan 8.280 nan 0.000 0.795 618 E N 0.675 120.761 120.200 -0.191 0.000 2.150 618 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 618 E C 0.200 176.781 176.600 -0.032 0.000 0.985 618 E CA 0.782 57.163 56.400 -0.031 0.000 0.814 618 E CB 0.259 29.906 29.700 -0.087 0.000 0.752 618 E HN 0.272 nan 8.360 nan 0.000 0.466 619 L N 1.556 122.722 121.223 -0.094 0.000 3.168 619 L HA 0.144 4.484 4.340 -0.000 0.000 0.277 619 L C 0.164 176.930 176.870 -0.174 0.000 1.308 619 L CA 0.151 54.949 54.840 -0.070 0.000 0.976 619 L CB 0.876 42.939 42.059 0.008 0.000 1.383 619 L HN -0.008 nan 8.230 nan 0.000 0.572 620 D N 0.065 120.222 120.400 -0.404 0.000 2.149 620 D HA -0.187 4.452 4.640 -0.000 0.000 0.198 620 D C 1.350 177.310 176.300 -0.567 0.000 0.990 620 D CA 1.879 55.477 54.000 -0.670 0.000 0.839 620 D CB 0.101 40.158 40.800 -1.239 0.000 0.948 620 D HN 0.430 nan 8.370 nan 0.000 0.460 621 F N -0.256 119.703 119.950 0.014 0.000 2.641 621 F HA 0.180 4.707 4.527 -0.000 0.000 0.302 621 F C 0.744 176.663 175.800 0.198 0.000 1.098 621 F CA -0.591 57.433 58.000 0.040 0.000 1.318 621 F CB 0.664 39.604 39.000 -0.100 0.000 1.035 621 F HN -0.299 nan 8.300 nan 0.000 0.551 622 D N 2.173 122.729 120.400 0.261 0.000 2.408 622 D HA 0.170 4.810 4.640 -0.000 0.000 0.243 622 D C -1.821 174.529 176.300 0.083 0.000 1.075 622 D CA -2.305 51.786 54.000 0.152 0.000 0.832 622 D CB 2.370 43.238 40.800 0.114 0.000 1.162 622 D HN -0.154 nan 8.370 nan 0.000 0.515 623 P HA -0.233 nan 4.420 nan 0.000 0.219 623 P C 1.227 178.493 177.300 -0.056 0.000 1.145 623 P CA 0.949 63.815 63.100 -0.391 0.000 0.813 623 P CB 0.050 31.426 31.700 -0.539 0.000 0.771 624 Y N 1.309 121.557 120.300 -0.088 0.000 2.373 624 Y HA 0.087 4.637 4.550 -0.000 0.000 0.293 624 Y C 2.435 178.311 175.900 -0.040 0.000 1.129 624 Y CA 1.528 59.596 58.100 -0.053 0.000 1.226 624 Y CB -0.908 37.524 38.460 -0.047 0.000 1.000 624 Y HN -0.082 nan 8.280 nan 0.000 0.549 625 G N -1.275 107.485 108.800 -0.067 0.000 2.848 625 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.208 625 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.208 625 G C -0.486 174.332 174.900 -0.137 0.000 1.152 625 G CA 0.041 45.062 45.100 -0.131 0.000 0.789 625 G HN 0.287 nan 8.290 nan 0.000 0.531 626 F N -0.382 119.384 119.950 -0.305 0.000 2.588 626 F HA 0.609 5.135 4.527 -0.000 0.000 0.314 626 F C -1.274 174.325 175.800 -0.336 0.000 1.134 626 F CA -1.203 56.569 58.000 -0.381 0.000 0.961 626 F CB 2.117 40.813 39.000 -0.507 0.000 1.239 626 F HN -0.022 nan 8.300 nan 0.000 0.448 627 E N 5.339 124.894 120.200 -1.076 0.000 2.287 627 E HA 0.207 4.556 4.350 -0.000 0.000 0.274 627 E C -1.840 174.381 176.600 -0.632 0.000 0.896 627 E CA -0.626 55.397 56.400 -0.628 0.000 0.788 627 E CB 1.126 30.647 29.700 -0.299 0.000 1.244 627 E HN 0.700 nan 8.360 nan 0.000 0.408 628 W N 5.144 126.299 121.300 -0.243 0.000 2.251 628 W HA 0.122 4.782 4.660 -0.000 0.000 0.327 628 W C 0.965 177.469 176.519 -0.025 0.000 1.361 628 W CA -0.319 57.004 57.345 -0.036 0.000 1.234 628 W CB 0.652 30.200 29.460 0.147 0.000 1.212 628 W HN 0.572 nan 8.180 nan 0.000 0.557 629 L N 2.988 124.384 121.223 0.287 0.000 2.500 629 L HA 0.205 4.545 4.340 -0.000 0.000 0.219 629 L C 0.058 176.934 176.870 0.011 0.000 1.057 629 L CA 0.361 55.268 54.840 0.112 0.000 0.854 629 L CB 0.046 42.127 42.059 0.036 0.000 1.078 629 L HN 0.109 nan 8.230 nan 0.000 0.480 630 V N 0.318 120.296 119.914 0.106 0.000 2.568 630 V HA 0.131 4.251 4.120 -0.000 0.000 0.276 630 V C 0.277 176.465 176.094 0.156 0.000 1.002 630 V CA -0.107 62.213 62.300 0.033 0.000 0.879 630 V CB 2.306 34.124 31.823 -0.008 0.000 1.040 630 V HN -0.095 nan 8.190 nan 0.000 0.457 631 V N 2.974 122.885 119.914 -0.006 0.000 3.661 631 V HA 0.149 4.269 4.120 -0.000 0.000 0.271 631 V C 1.187 177.220 176.094 -0.102 0.000 1.315 631 V CA 1.388 63.457 62.300 -0.386 0.000 1.072 631 V CB 0.639 31.906 31.823 -0.926 0.000 0.830 631 V HN 1.002 nan 8.190 nan 0.000 0.443 632 D N -1.359 119.038 120.400 -0.006 0.000 2.538 632 D HA 0.103 4.743 4.640 -0.000 0.000 0.231 632 D C 0.275 176.496 176.300 -0.132 0.000 1.229 632 D CA -0.225 53.733 54.000 -0.070 0.000 0.828 632 D CB -0.119 40.662 40.800 -0.031 0.000 1.035 632 D HN 0.305 nan 8.370 nan 0.000 0.495 633 D N 1.466 121.837 120.400 -0.049 0.000 2.558 633 D HA 0.084 4.724 4.640 -0.000 0.000 0.221 633 D C 0.922 177.083 176.300 -0.232 0.000 1.143 633 D CA -0.064 53.924 54.000 -0.019 0.000 1.010 633 D CB 0.570 41.487 40.800 0.195 0.000 1.068 633 D HN 0.092 nan 8.370 nan 0.000 0.511 634 K N 1.316 121.444 120.400 -0.455 0.000 2.031 634 K HA -0.084 4.235 4.320 -0.000 0.000 0.205 634 K C 1.579 178.063 176.600 -0.193 0.000 1.049 634 K CA 0.474 56.455 56.287 -0.509 0.000 0.939 634 K CB 0.261 32.512 32.500 -0.415 0.000 0.717 634 K HN 0.240 nan 8.250 nan 0.000 0.438 635 E N 1.209 121.324 120.200 -0.141 0.000 2.086 635 E HA -0.223 4.127 4.350 -0.000 0.000 0.205 635 E C 1.889 178.461 176.600 -0.047 0.000 1.027 635 E CA 1.584 57.925 56.400 -0.097 0.000 0.830 635 E CB -0.176 29.494 29.700 -0.050 0.000 0.751 635 E HN 0.311 nan 8.360 nan 0.000 0.456 636 R N -0.142 120.369 120.500 0.020 0.000 2.334 636 R HA 0.140 4.480 4.340 -0.000 0.000 0.216 636 R C 0.261 176.619 176.300 0.098 0.000 0.905 636 R CA 0.228 56.367 56.100 0.065 0.000 1.064 636 R CB 0.374 30.753 30.300 0.132 0.000 1.046 636 R HN -0.079 nan 8.270 nan 0.000 0.508 637 S N 0.386 116.168 115.700 0.137 0.000 3.628 637 S HA -0.104 4.366 4.470 -0.000 0.000 0.373 637 S C -0.374 174.412 174.600 0.309 0.000 0.968 637 S CA 0.442 58.823 58.200 0.301 0.000 1.215 637 S CB -0.963 62.414 63.200 0.295 0.000 0.912 637 S HN 0.110 nan 8.310 nan 0.000 0.495 638 V N 2.089 122.149 119.914 0.244 0.000 2.448 638 V HA 0.612 4.732 4.120 -0.000 0.000 0.295 638 V C -0.088 176.139 176.094 0.221 0.000 1.025 638 V CA -0.608 61.753 62.300 0.102 0.000 0.859 638 V CB 1.697 33.432 31.823 -0.147 0.000 0.988 638 V HN 0.361 nan 8.190 nan 0.000 0.431 639 L N 6.611 127.986 121.223 0.254 0.000 2.362 639 L HA 0.665 5.005 4.340 -0.000 0.000 0.275 639 L C -0.543 176.557 176.870 0.383 0.000 0.998 639 L CA -0.032 55.067 54.840 0.432 0.000 0.820 639 L CB 1.840 44.268 42.059 0.616 0.000 1.270 639 L HN 0.440 nan 8.230 nan 0.000 0.415 640 I N 3.682 124.451 120.570 0.332 0.000 2.499 640 I HA 0.585 4.755 4.170 -0.000 0.000 0.288 640 I C -0.848 175.402 176.117 0.222 0.000 1.048 640 I CA -0.528 60.787 61.300 0.026 0.000 1.062 640 I CB 1.650 39.391 38.000 -0.432 0.000 1.238 640 I HN 0.526 nan 8.210 nan 0.000 0.426 641 F N 5.094 124.999 119.950 -0.074 0.000 2.824 641 F HA 0.882 5.409 4.527 -0.000 0.000 0.330 641 F C -1.585 173.963 175.800 -0.421 0.000 1.175 641 F CA -1.245 56.554 58.000 -0.336 0.000 0.974 641 F CB 1.224 39.756 39.000 -0.781 0.000 1.430 641 F HN 0.112 nan 8.300 nan 0.000 0.507 642 V N 1.384 121.171 119.914 -0.212 0.000 2.876 642 V HA 0.699 4.819 4.120 -0.000 0.000 0.312 642 V C -1.238 174.703 176.094 -0.255 0.000 1.085 642 V CA -0.710 61.453 62.300 -0.229 0.000 0.945 642 V CB 2.161 33.865 31.823 -0.199 0.000 1.017 642 V HN 0.793 nan 8.190 nan 0.000 0.428 643 R N 4.170 124.551 120.500 -0.199 0.000 2.637 643 R HA 0.677 5.017 4.340 -0.000 0.000 0.291 643 R C -0.801 175.375 176.300 -0.206 0.000 0.963 643 R CA -0.610 55.370 56.100 -0.201 0.000 0.901 643 R CB 1.996 32.187 30.300 -0.182 0.000 1.160 643 R HN 0.692 nan 8.270 nan 0.000 0.457 644 R N 0.660 121.026 120.500 -0.224 0.000 2.744 644 R HA 0.266 4.606 4.340 -0.000 0.000 0.279 644 R C -0.599 175.631 176.300 -0.117 0.000 0.977 644 R CA -0.866 55.119 56.100 -0.192 0.000 0.906 644 R CB 1.932 32.028 30.300 -0.340 0.000 1.197 644 R HN 0.667 nan 8.270 nan 0.000 0.463 645 D N 0.345 120.711 120.400 -0.057 0.000 2.478 645 D HA 0.145 4.785 4.640 -0.000 0.000 0.263 645 D C 0.330 176.680 176.300 0.084 0.000 1.153 645 D CA -0.654 53.328 54.000 -0.031 0.000 1.038 645 D CB 0.774 41.527 40.800 -0.078 0.000 1.120 645 D HN 0.251 nan 8.370 nan 0.000 0.564 646 K N -1.097 119.337 120.400 0.058 0.000 2.280 646 K HA -0.126 4.194 4.320 -0.000 0.000 0.202 646 K C 1.029 177.655 176.600 0.044 0.000 1.047 646 K CA 1.033 57.357 56.287 0.062 0.000 0.942 646 K CB 0.038 32.550 32.500 0.020 0.000 0.739 646 K HN 0.342 nan 8.250 nan 0.000 0.457 647 E N -0.490 119.732 120.200 0.036 0.000 2.479 647 E HA 0.022 4.371 4.350 -0.000 0.000 0.193 647 E C 0.777 177.406 176.600 0.048 0.000 1.049 647 E CA 0.490 56.902 56.400 0.021 0.000 0.870 647 E CB 0.372 30.070 29.700 -0.004 0.000 0.944 647 E HN 0.364 nan 8.360 nan 0.000 0.492 648 G N 0.304 109.171 108.800 0.112 0.000 2.195 648 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.246 648 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.246 648 G C 0.102 175.034 174.900 0.053 0.000 0.984 648 G CA 0.054 45.233 45.100 0.132 0.000 0.633 648 G HN 0.264 nan 8.290 nan 0.000 0.525 649 N N 1.910 120.616 118.700 0.010 0.000 2.492 649 N HA 0.415 5.155 4.740 -0.000 0.000 0.260 649 N C 0.179 175.672 175.510 -0.029 0.000 1.215 649 N CA 1.035 54.071 53.050 -0.024 0.000 0.923 649 N CB 0.688 39.150 38.487 -0.041 0.000 1.092 649 N HN 0.860 nan 8.380 nan 0.000 0.448 650 E N 0.002 120.200 120.200 -0.003 0.000 2.292 650 E HA 0.546 4.896 4.350 -0.000 0.000 0.272 650 E C -0.883 175.768 176.600 0.085 0.000 0.881 650 E CA -0.977 55.426 56.400 0.006 0.000 0.754 650 E CB 1.664 31.380 29.700 0.028 0.000 1.201 650 E HN 0.513 nan 8.360 nan 0.000 0.425 651 I N 0.001 120.563 120.570 -0.013 0.000 2.441 651 I HA 0.499 4.669 4.170 -0.000 0.000 0.295 651 I C -1.007 175.084 176.117 -0.043 0.000 0.994 651 I CA -0.974 60.345 61.300 0.031 0.000 1.144 651 I CB 1.180 39.086 38.000 -0.157 0.000 1.314 651 I HN 0.602 nan 8.210 nan 0.000 0.445 652 I N 6.583 127.185 120.570 0.054 0.000 2.441 652 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 652 I C -0.538 175.450 176.117 -0.214 0.000 1.049 652 I CA -0.673 60.546 61.300 -0.135 0.000 1.381 652 I CB 1.354 39.269 38.000 -0.142 0.000 1.409 652 I HN 0.387 nan 8.210 nan 0.000 0.523 653 V N 6.105 125.735 119.914 -0.473 0.000 2.409 653 V HA 0.677 4.796 4.120 -0.000 0.000 0.291 653 V C 0.046 175.868 176.094 -0.453 0.000 1.020 653 V CA -0.504 61.485 62.300 -0.519 0.000 0.848 653 V CB 1.453 32.619 31.823 -1.095 0.000 0.990 653 V HN 0.833 nan 8.190 nan 0.000 0.430 654 A N 3.683 126.392 122.820 -0.186 0.000 2.330 654 A HA 0.875 5.194 4.320 -0.000 0.000 0.313 654 A C -0.291 177.252 177.584 -0.068 0.000 1.124 654 A CA -0.448 51.476 52.037 -0.188 0.000 0.774 654 A CB 1.570 20.408 19.000 -0.269 0.000 1.198 654 A HN 0.676 nan 8.150 nan 0.000 0.465 655 S N 1.243 116.922 115.700 -0.036 0.000 2.500 655 S HA 0.472 4.942 4.470 -0.000 0.000 0.301 655 S C -0.397 174.001 174.600 -0.336 0.000 1.092 655 S CA -0.703 57.383 58.200 -0.190 0.000 1.030 655 S CB 1.291 64.434 63.200 -0.095 0.000 1.031 655 S HN 0.770 nan 8.310 nan 0.000 0.483 656 N N 1.911 120.334 118.700 -0.462 0.000 2.626 656 N HA 0.326 5.066 4.740 -0.000 0.000 0.249 656 N C -1.137 174.169 175.510 -0.340 0.000 1.021 656 N CA -0.399 52.472 53.050 -0.298 0.000 0.886 656 N CB 0.278 38.645 38.487 -0.200 0.000 1.149 656 N HN 0.470 nan 8.380 nan 0.000 0.517 657 F N 1.881 121.855 119.950 0.040 0.000 2.843 657 F HA 0.224 4.751 4.527 -0.000 0.000 0.290 657 F C 0.484 176.295 175.800 0.018 0.000 1.221 657 F CA 0.066 58.098 58.000 0.053 0.000 1.413 657 F CB 0.565 39.654 39.000 0.147 0.000 1.019 657 F HN 0.220 nan 8.300 nan 0.000 0.512 658 T N 0.906 115.520 114.554 0.100 0.000 2.916 658 T HA 0.246 4.596 4.350 -0.000 0.000 0.305 658 T C -2.170 172.559 174.700 0.048 0.000 1.119 658 T CA -1.298 60.839 62.100 0.062 0.000 1.008 658 T CB 2.413 71.305 68.868 0.040 0.000 1.129 658 T HN -0.206 nan 8.240 nan 0.000 0.480 659 P HA 0.145 nan 4.420 nan 0.000 0.256 659 P C -0.204 177.115 177.300 0.031 0.000 1.335 659 P CA 0.092 63.234 63.100 0.069 0.000 0.808 659 P CB -0.090 31.655 31.700 0.075 0.000 1.305 660 V N 4.097 124.021 119.914 0.017 0.000 2.333 660 V HA 0.230 4.350 4.120 -0.000 0.000 0.274 660 V C -1.952 174.128 176.094 -0.023 0.000 1.028 660 V CA -2.115 60.187 62.300 0.004 0.000 0.851 660 V CB 1.231 33.060 31.823 0.010 0.000 1.000 660 V HN 0.047 nan 8.190 nan 0.000 0.456 661 P HA 0.238 nan 4.420 nan 0.000 0.271 661 P C -0.773 176.380 177.300 -0.245 0.000 1.216 661 P CA -0.438 62.572 63.100 -0.150 0.000 0.771 661 P CB 0.847 32.457 31.700 -0.150 0.000 0.864 662 R N 3.046 123.397 120.500 -0.249 0.000 2.246 662 R HA 0.381 4.721 4.340 -0.000 0.000 0.332 662 R C 0.399 176.588 176.300 -0.184 0.000 0.974 662 R CA -0.491 55.535 56.100 -0.122 0.000 0.837 662 R CB 0.340 30.657 30.300 0.028 0.000 1.145 662 R HN 0.629 nan 8.270 nan 0.000 0.467 663 H N 1.418 120.572 119.070 0.139 0.000 2.502 663 H HA 0.157 4.712 4.556 -0.000 0.000 0.338 663 H C 0.060 175.475 175.328 0.145 0.000 1.155 663 H CA -0.394 55.729 56.048 0.125 0.000 1.237 663 H CB 1.306 31.118 29.762 0.083 0.000 1.534 663 H HN 0.478 nan 8.280 nan 0.000 0.523 664 D N 0.647 121.200 120.400 0.255 0.000 2.708 664 D HA -0.284 4.355 4.640 -0.000 0.000 0.236 664 D C -0.438 175.965 176.300 0.172 0.000 1.146 664 D CA 0.771 54.875 54.000 0.174 0.000 0.662 664 D CB -1.521 39.353 40.800 0.123 0.000 1.059 664 D HN 0.477 nan 8.370 nan 0.000 0.428 665 Y N 1.336 121.713 120.300 0.129 0.000 2.452 665 Y HA 0.235 4.784 4.550 -0.000 0.000 0.348 665 Y C 0.705 176.734 175.900 0.216 0.000 0.985 665 Y CA -0.467 57.730 58.100 0.162 0.000 1.214 665 Y CB 0.461 39.016 38.460 0.158 0.000 1.136 665 Y HN -0.039 nan 8.280 nan 0.000 0.523 666 R N 6.988 127.450 120.500 -0.063 0.000 2.407 666 R HA 0.546 4.886 4.340 -0.000 0.000 0.303 666 R C -1.775 174.623 176.300 0.163 0.000 0.981 666 R CA -0.518 55.585 56.100 0.006 0.000 0.905 666 R CB 0.653 30.919 30.300 -0.057 0.000 1.099 666 R HN 0.665 nan 8.270 nan 0.000 0.459 667 F N 0.237 120.263 119.950 0.127 0.000 2.641 667 F HA 0.545 5.072 4.527 -0.000 0.000 0.308 667 F C -0.259 175.612 175.800 0.119 0.000 1.105 667 F CA -1.217 56.890 58.000 0.179 0.000 0.964 667 F CB 0.796 39.837 39.000 0.068 0.000 1.294 667 F HN 0.574 nan 8.300 nan 0.000 0.442 668 G N 2.287 111.276 108.800 0.315 0.000 2.491 668 G HA2 0.478 4.438 3.960 -0.000 0.000 0.242 668 G HA3 0.478 4.438 3.960 -0.000 0.000 0.242 668 G C -0.578 174.366 174.900 0.074 0.000 1.266 668 G CA -0.415 44.767 45.100 0.136 0.000 0.844 668 G HN 1.064 nan 8.290 nan 0.000 0.571 669 I N -1.460 119.095 120.570 -0.025 0.000 3.145 669 I HA 0.503 4.673 4.170 -0.000 0.000 0.313 669 I C 0.049 176.174 176.117 0.012 0.000 1.122 669 I CA -1.438 59.821 61.300 -0.069 0.000 0.987 669 I CB 2.262 40.078 38.000 -0.307 0.000 1.236 669 I HN 0.299 nan 8.210 nan 0.000 0.453 670 N N 0.548 119.260 118.700 0.020 0.000 2.432 670 N HA 0.076 4.816 4.740 -0.000 0.000 0.174 670 N C -0.369 175.203 175.510 0.103 0.000 1.037 670 N CA 0.602 53.695 53.050 0.073 0.000 0.892 670 N CB 0.266 38.791 38.487 0.063 0.000 1.049 670 N HN 0.626 nan 8.380 nan 0.000 0.442 671 Q N 1.473 121.365 119.800 0.152 0.000 2.327 671 Q HA 0.382 4.722 4.340 -0.000 0.000 0.270 671 Q C -2.543 173.549 176.000 0.155 0.000 1.022 671 Q CA -1.847 54.060 55.803 0.173 0.000 0.773 671 Q CB 2.608 31.498 28.738 0.255 0.000 1.251 671 Q HN 0.098 nan 8.270 nan 0.000 0.457 672 P HA 0.385 nan 4.420 nan 0.000 0.275 672 P C -0.033 177.203 177.300 -0.107 0.000 1.228 672 P CA 0.286 63.241 63.100 -0.242 0.000 0.786 672 P CB 1.461 32.709 31.700 -0.753 0.000 0.927 673 G N 1.475 110.141 108.800 -0.223 0.000 2.350 673 G HA2 0.046 4.006 3.960 -0.000 0.000 0.282 673 G HA3 0.046 4.006 3.960 -0.000 0.000 0.282 673 G C -1.632 173.005 174.900 -0.438 0.000 1.314 673 G CA -0.852 44.029 45.100 -0.365 0.000 0.915 673 G HN 0.434 nan 8.290 nan 0.000 0.499 674 K N -0.226 119.993 120.400 -0.301 0.000 2.258 674 K HA 0.480 4.799 4.320 -0.000 0.000 0.284 674 K C -1.220 175.244 176.600 -0.227 0.000 1.051 674 K CA -0.114 56.099 56.287 -0.124 0.000 0.923 674 K CB 1.216 33.698 32.500 -0.030 0.000 1.046 674 K HN 0.393 nan 8.250 nan 0.000 0.474 675 W N 2.068 123.331 121.300 -0.062 0.000 2.689 675 W HA 0.482 5.141 4.660 -0.000 0.000 0.340 675 W C 0.046 176.573 176.519 0.013 0.000 1.060 675 W CA -0.676 56.655 57.345 -0.023 0.000 1.218 675 W CB 1.442 30.892 29.460 -0.017 0.000 1.410 675 W HN 0.391 nan 8.180 nan 0.000 0.528 676 R N 1.403 122.022 120.500 0.199 0.000 2.698 676 R HA 0.339 4.679 4.340 -0.000 0.000 0.275 676 R C -0.820 175.577 176.300 0.162 0.000 1.001 676 R CA -0.724 55.464 56.100 0.145 0.000 0.896 676 R CB 1.767 32.111 30.300 0.072 0.000 1.218 676 R HN 0.601 nan 8.270 nan 0.000 0.462 677 E N 3.595 123.879 120.200 0.141 0.000 2.360 677 E HA 0.111 4.461 4.350 -0.000 0.000 0.269 677 E C 0.714 177.383 176.600 0.116 0.000 1.022 677 E CA 0.072 56.555 56.400 0.138 0.000 0.887 677 E CB 0.998 30.763 29.700 0.108 0.000 0.990 677 E HN 0.563 nan 8.360 nan 0.000 0.426 678 I N 0.237 120.892 120.570 0.142 0.000 4.227 678 I HA 0.335 4.504 4.170 -0.000 0.000 0.334 678 I C -0.185 175.988 176.117 0.094 0.000 1.341 678 I CA -0.177 61.203 61.300 0.135 0.000 1.123 678 I CB 0.628 38.739 38.000 0.185 0.000 1.097 678 I HN 0.241 nan 8.210 nan 0.000 0.399 679 L N 1.451 122.706 121.223 0.053 0.000 2.565 679 L HA 0.513 4.852 4.340 -0.000 0.000 0.261 679 L C -1.879 174.933 176.870 -0.097 0.000 0.932 679 L CA -0.196 54.570 54.840 -0.124 0.000 0.878 679 L CB 2.123 43.854 42.059 -0.546 0.000 1.333 679 L HN 0.264 nan 8.230 nan 0.000 0.409 680 N N 1.394 120.079 118.700 -0.024 0.000 2.549 680 N HA 0.181 4.921 4.740 -0.000 0.000 0.290 680 N C 0.317 175.903 175.510 0.126 0.000 1.122 680 N CA 0.232 53.301 53.050 0.032 0.000 0.885 680 N CB 1.543 40.070 38.487 0.066 0.000 1.455 680 N HN 0.741 nan 8.380 nan 0.000 0.521 681 T N -0.512 114.065 114.554 0.038 0.000 3.113 681 T HA -0.068 4.282 4.350 -0.000 0.000 0.263 681 T C 0.828 175.647 174.700 0.198 0.000 1.143 681 T CA 0.918 63.055 62.100 0.063 0.000 1.090 681 T CB -0.080 68.744 68.868 -0.072 0.000 0.922 681 T HN 0.441 nan 8.240 nan 0.000 0.521 682 D N 1.179 121.687 120.400 0.181 0.000 2.340 682 D HA 0.200 4.840 4.640 -0.000 0.000 0.217 682 D C 0.673 177.097 176.300 0.207 0.000 1.081 682 D CA -0.129 53.996 54.000 0.210 0.000 0.842 682 D CB 0.057 40.970 40.800 0.188 0.000 0.934 682 D HN 0.390 nan 8.370 nan 0.000 0.511 683 S N -0.005 115.805 115.700 0.183 0.000 2.559 683 S HA -0.118 4.351 4.470 -0.000 0.000 0.282 683 S C 1.526 176.135 174.600 0.016 0.000 1.336 683 S CA -0.283 57.935 58.200 0.030 0.000 1.037 683 S CB 0.446 63.546 63.200 -0.167 0.000 0.853 683 S HN 0.362 nan 8.310 nan 0.000 0.523 684 M N 2.915 122.504 119.600 -0.018 0.000 2.202 684 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 684 M C 0.578 176.807 176.300 -0.118 0.000 1.063 684 M CA 1.421 56.707 55.300 -0.023 0.000 1.097 684 M CB -0.273 32.308 32.600 -0.033 0.000 1.382 684 M HN 0.860 nan 8.290 nan 0.000 0.413 685 H N -0.367 118.487 119.070 -0.359 0.000 2.707 685 H HA 0.048 4.604 4.556 -0.000 0.000 0.359 685 H C -0.357 174.680 175.328 -0.486 0.000 1.113 685 H CA 1.414 57.152 56.048 -0.517 0.000 1.422 685 H CB 0.246 29.559 29.762 -0.748 0.000 1.443 685 H HN 0.391 nan 8.280 nan 0.000 0.591 686 Y N 0.252 120.484 120.300 -0.114 0.000 4.779 686 Y HA -0.333 4.216 4.550 -0.000 0.000 0.284 686 Y C 1.102 177.143 175.900 0.235 0.000 0.973 686 Y CA 1.168 59.309 58.100 0.068 0.000 1.792 686 Y CB -2.682 35.810 38.460 0.054 0.000 1.120 686 Y HN 1.021 nan 8.280 nan 0.000 0.450 687 H N -2.267 116.892 119.070 0.147 0.000 2.973 687 H HA 0.116 4.672 4.556 -0.000 0.000 0.285 687 H C 1.163 176.678 175.328 0.312 0.000 1.277 687 H CA 0.695 56.846 56.048 0.172 0.000 1.137 687 H CB -1.131 28.686 29.762 0.092 0.000 1.326 687 H HN 0.850 nan 8.280 nan 0.000 0.398 688 G N -0.445 108.573 108.800 0.363 0.000 2.525 688 G HA2 0.361 4.321 3.960 -0.000 0.000 0.287 688 G HA3 0.361 4.321 3.960 -0.000 0.000 0.287 688 G C 1.136 176.369 174.900 0.554 0.000 1.350 688 G CA -0.130 45.248 45.100 0.464 0.000 1.039 688 G HN 0.478 nan 8.290 nan 0.000 0.513 689 S N -1.390 114.659 115.700 0.582 0.000 2.562 689 S HA -0.035 4.435 4.470 -0.000 0.000 0.221 689 S C 1.113 175.818 174.600 0.176 0.000 0.975 689 S CA 0.916 59.289 58.200 0.288 0.000 0.918 689 S CB -0.409 62.857 63.200 0.110 0.000 0.772 689 S HN 0.884 nan 8.310 nan 0.000 0.531 690 N N 0.310 119.120 118.700 0.183 0.000 2.815 690 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 690 N C -0.114 175.453 175.510 0.095 0.000 1.110 690 N CA 0.361 53.477 53.050 0.110 0.000 0.699 690 N CB -1.484 37.045 38.487 0.071 0.000 1.040 690 N HN 0.710 nan 8.380 nan 0.000 0.555 691 A N 0.041 122.929 122.820 0.114 0.000 2.279 691 A HA 0.874 5.194 4.320 -0.000 0.000 0.303 691 A C 1.000 178.641 177.584 0.094 0.000 1.108 691 A CA 0.688 52.788 52.037 0.105 0.000 0.830 691 A CB 1.587 20.652 19.000 0.109 0.000 1.106 691 A HN 0.793 nan 8.150 nan 0.000 0.493 692 G N 0.266 109.124 108.800 0.097 0.000 2.356 692 G HA2 0.273 4.233 3.960 -0.000 0.000 0.266 692 G HA3 0.273 4.233 3.960 -0.000 0.000 0.266 692 G C -1.499 173.460 174.900 0.100 0.000 1.312 692 G CA -0.812 44.341 45.100 0.089 0.000 0.922 692 G HN 0.829 nan 8.290 nan 0.000 0.480 693 N N 0.528 119.286 118.700 0.096 0.000 2.425 693 N HA 0.508 5.248 4.740 -0.000 0.000 0.268 693 N C 1.206 176.766 175.510 0.083 0.000 0.991 693 N CA 0.298 53.408 53.050 0.101 0.000 0.931 693 N CB 1.847 40.403 38.487 0.116 0.000 1.130 693 N HN 0.891 nan 8.380 nan 0.000 0.493 694 G N 1.921 110.766 108.800 0.075 0.000 2.982 694 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.193 694 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.193 694 G C 0.283 175.217 174.900 0.056 0.000 1.431 694 G CA 0.775 45.909 45.100 0.058 0.000 0.787 694 G HN 0.632 nan 8.290 nan 0.000 0.720 695 G N -1.942 106.892 108.800 0.056 0.000 2.954 695 G HA2 0.544 4.504 3.960 -0.000 0.000 0.290 695 G HA3 0.544 4.504 3.960 -0.000 0.000 0.290 695 G C -0.613 174.325 174.900 0.065 0.000 1.574 695 G CA 0.589 45.722 45.100 0.054 0.000 1.088 695 G HN 1.063 nan 8.290 nan 0.000 0.557 696 T N -0.633 113.970 114.554 0.083 0.000 0.630 696 T HA -0.174 4.176 4.350 -0.000 0.000 0.765 696 T C -0.284 174.488 174.700 0.120 0.000 0.991 696 T CA -0.075 62.084 62.100 0.098 0.000 4.032 696 T CB -0.890 68.023 68.868 0.075 0.000 2.278 696 T HN 1.015 nan 8.240 nan 0.000 0.395 697 V N 5.639 125.646 119.914 0.155 0.000 2.407 697 V HA 0.403 4.522 4.120 -0.000 0.000 0.291 697 V C 0.356 176.566 176.094 0.193 0.000 1.018 697 V CA -0.792 61.604 62.300 0.160 0.000 0.842 697 V CB 1.775 33.682 31.823 0.140 0.000 0.996 697 V HN 0.859 nan 8.190 nan 0.000 0.426 698 H N 3.419 122.556 119.070 0.111 0.000 2.610 698 H HA 0.345 4.900 4.556 -0.000 0.000 0.336 698 H C 0.523 175.905 175.328 0.090 0.000 1.087 698 H CA 0.147 56.265 56.048 0.117 0.000 1.405 698 H CB 1.758 31.565 29.762 0.074 0.000 1.460 698 H HN 0.775 nan 8.280 nan 0.000 0.538 699 S N 4.026 119.711 115.700 -0.024 0.000 2.608 699 S HA 0.135 4.605 4.470 -0.000 0.000 0.261 699 S C -0.247 174.489 174.600 0.227 0.000 1.314 699 S CA -0.697 57.521 58.200 0.030 0.000 0.992 699 S CB 1.155 64.317 63.200 -0.063 0.000 0.935 699 S HN 0.638 nan 8.310 nan 0.000 0.564 700 D N 0.215 120.708 120.400 0.155 0.000 2.481 700 D HA 0.208 4.848 4.640 -0.000 0.000 0.244 700 D C -0.849 175.575 176.300 0.208 0.000 1.057 700 D CA -0.396 53.707 54.000 0.172 0.000 0.848 700 D CB 1.613 42.461 40.800 0.080 0.000 1.388 700 D HN 0.810 nan 8.370 nan 0.000 0.475 701 E N 2.134 122.449 120.200 0.192 0.000 1.802 701 E HA 0.231 4.580 4.350 -0.000 0.000 0.265 701 E C -0.792 175.779 176.600 -0.049 0.000 1.168 701 E CA 0.022 56.432 56.400 0.017 0.000 1.033 701 E CB -0.211 29.487 29.700 -0.004 0.000 1.095 701 E HN 0.341 nan 8.360 nan 0.000 0.436 702 I N 3.557 124.098 120.570 -0.047 0.000 2.560 702 I HA 0.263 4.433 4.170 -0.000 0.000 0.278 702 I C 0.056 176.142 176.117 -0.053 0.000 1.089 702 I CA -0.879 60.394 61.300 -0.045 0.000 1.086 702 I CB 1.442 39.429 38.000 -0.021 0.000 1.202 702 I HN 0.419 nan 8.210 nan 0.000 0.471 703 A N 4.154 126.935 122.820 -0.066 0.000 2.609 703 A HA 0.321 4.641 4.320 -0.000 0.000 0.232 703 A C 0.282 177.848 177.584 -0.031 0.000 1.041 703 A CA 0.877 52.885 52.037 -0.048 0.000 0.753 703 A CB 0.309 19.281 19.000 -0.047 0.000 0.966 703 A HN 0.667 nan 8.150 nan 0.000 0.510 704 S N 0.323 116.025 115.700 0.003 0.000 2.556 704 S HA 0.465 4.935 4.470 -0.000 0.000 0.280 704 S C -0.206 174.467 174.600 0.121 0.000 1.141 704 S CA -0.383 57.824 58.200 0.011 0.000 0.883 704 S CB 0.353 63.609 63.200 0.094 0.000 1.103 704 S HN 1.127 nan 8.310 nan 0.000 0.453 705 H N 2.179 121.273 119.070 0.041 0.000 2.731 705 H HA -0.237 4.318 4.556 -0.000 0.000 0.305 705 H C 1.259 176.622 175.328 0.058 0.000 1.132 705 H CA 1.582 57.668 56.048 0.064 0.000 1.148 705 H CB -1.527 28.301 29.762 0.109 0.000 1.379 705 H HN 1.701 nan 8.280 nan 0.000 0.398 706 G N -0.217 108.640 108.800 0.094 0.000 2.179 706 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 706 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 706 G C 0.306 175.251 174.900 0.075 0.000 0.977 706 G CA 0.492 45.637 45.100 0.075 0.000 0.641 706 G HN 0.545 nan 8.290 nan 0.000 0.533 707 R N 0.036 120.590 120.500 0.089 0.000 2.664 707 R HA 0.492 4.832 4.340 -0.000 0.000 0.286 707 R C 0.036 176.353 176.300 0.029 0.000 0.967 707 R CA -0.749 55.396 56.100 0.074 0.000 0.933 707 R CB 1.271 31.632 30.300 0.102 0.000 1.146 707 R HN 0.315 nan 8.270 nan 0.000 0.468 708 Q N 3.500 123.304 119.800 0.006 0.000 2.441 708 Q HA 0.154 4.494 4.340 -0.000 0.000 0.234 708 Q C -1.454 174.441 176.000 -0.175 0.000 1.078 708 Q CA 0.089 55.815 55.803 -0.128 0.000 0.907 708 Q CB 0.047 28.698 28.738 -0.145 0.000 1.269 708 Q HN 0.733 nan 8.270 nan 0.000 0.502 709 H N -0.297 118.775 119.070 0.004 0.000 2.920 709 H HA -0.022 4.533 4.556 -0.000 0.000 0.272 709 H C -1.422 173.865 175.328 -0.067 0.000 1.205 709 H CA 0.307 56.345 56.048 -0.017 0.000 1.937 709 H CB -0.670 29.093 29.762 0.001 0.000 1.761 709 H HN 0.809 nan 8.280 nan 0.000 0.457 710 S N 0.889 116.594 115.700 0.009 0.000 2.661 710 S HA 0.662 5.131 4.470 -0.000 0.000 0.268 710 S C -0.577 173.837 174.600 -0.309 0.000 1.162 710 S CA -0.936 57.147 58.200 -0.195 0.000 0.817 710 S CB 1.775 64.890 63.200 -0.141 0.000 1.141 710 S HN 0.449 nan 8.310 nan 0.000 0.477 711 L N 0.414 121.277 121.223 -0.600 0.000 2.546 711 L HA 0.479 4.819 4.340 -0.000 0.000 0.182 711 L C 0.414 177.146 176.870 -0.230 0.000 1.167 711 L CA 0.725 55.288 54.840 -0.463 0.000 0.845 711 L CB -0.017 41.642 42.059 -0.667 0.000 1.134 711 L HN 1.080 nan 8.230 nan 0.000 0.500 712 S N 0.119 115.689 115.700 -0.218 0.000 3.740 712 S HA -0.067 4.403 4.470 -0.000 0.000 0.713 712 S C -0.756 173.903 174.600 0.098 0.000 0.505 712 S CA -0.120 58.086 58.200 0.009 0.000 1.448 712 S CB -1.199 62.005 63.200 0.006 0.000 0.874 712 S HN 0.235 nan 8.310 nan 0.000 1.048 713 L N 2.702 124.058 121.223 0.221 0.000 2.250 713 L HA 0.721 5.061 4.340 -0.000 0.000 0.252 713 L C 0.542 177.545 176.870 0.222 0.000 1.054 713 L CA -1.235 53.732 54.840 0.213 0.000 0.856 713 L CB 1.771 43.972 42.059 0.237 0.000 1.443 713 L HN 0.421 nan 8.230 nan 0.000 0.427 714 T N 2.133 116.789 114.554 0.170 0.000 2.806 714 T HA 0.557 4.906 4.350 -0.000 0.000 0.290 714 T C -0.394 174.334 174.700 0.045 0.000 0.966 714 T CA -0.259 61.909 62.100 0.114 0.000 1.060 714 T CB 0.524 69.488 68.868 0.160 0.000 0.927 714 T HN 0.223 nan 8.240 nan 0.000 0.485 715 L N 5.867 127.063 121.223 -0.045 0.000 2.324 715 L HA 0.353 4.693 4.340 -0.000 0.000 0.274 715 L C -2.338 174.473 176.870 -0.098 0.000 1.012 715 L CA -2.316 52.469 54.840 -0.091 0.000 0.859 715 L CB 1.435 43.368 42.059 -0.210 0.000 1.224 715 L HN 0.320 nan 8.230 nan 0.000 0.429 716 P HA -0.011 nan 4.420 nan 0.000 0.267 716 P C -2.377 174.917 177.300 -0.008 0.000 1.201 716 P CA -0.597 62.501 63.100 -0.002 0.000 0.775 716 P CB -0.131 31.599 31.700 0.050 0.000 0.854 717 P HA 0.064 nan 4.420 nan 0.000 0.271 717 P C 0.021 177.390 177.300 0.115 0.000 1.216 717 P CA 0.044 63.183 63.100 0.066 0.000 0.776 717 P CB 0.393 32.150 31.700 0.094 0.000 0.881 718 L N -0.565 120.691 121.223 0.056 0.000 3.879 718 L HA -0.229 4.111 4.340 -0.000 0.000 0.481 718 L C 0.323 177.175 176.870 -0.029 0.000 1.232 718 L CA 0.659 55.516 54.840 0.028 0.000 0.736 718 L CB -2.008 40.120 42.059 0.114 0.000 1.511 718 L HN 0.684 nan 8.230 nan 0.000 0.830 719 A N -0.490 122.260 122.820 -0.117 0.000 2.586 719 A HA 0.893 5.213 4.320 -0.000 0.000 0.290 719 A C -0.175 177.320 177.584 -0.147 0.000 1.086 719 A CA 0.127 52.110 52.037 -0.090 0.000 0.665 719 A CB 1.842 20.843 19.000 0.002 0.000 1.279 719 A HN 0.311 nan 8.150 nan 0.000 0.423 720 T N -1.046 113.471 114.554 -0.062 0.000 2.900 720 T HA 0.770 5.120 4.350 -0.000 0.000 0.295 720 T C -0.476 174.229 174.700 0.009 0.000 1.044 720 T CA -0.179 61.918 62.100 -0.005 0.000 0.995 720 T CB 0.967 69.929 68.868 0.156 0.000 1.072 720 T HN 1.789 nan 8.240 nan 0.000 0.473 721 I N -1.157 119.453 120.570 0.067 0.000 2.828 721 I HA 0.844 5.014 4.170 -0.000 0.000 0.302 721 I C -1.790 174.510 176.117 0.305 0.000 1.101 721 I CA -1.241 60.109 61.300 0.084 0.000 1.031 721 I CB 2.085 40.127 38.000 0.069 0.000 1.231 721 I HN 0.564 nan 8.210 nan 0.000 0.427 722 W N 5.337 126.640 121.300 0.006 0.000 2.587 722 W HA 0.683 5.343 4.660 -0.000 0.000 0.324 722 W C -1.065 175.476 176.519 0.036 0.000 1.040 722 W CA -1.013 56.327 57.345 -0.008 0.000 1.222 722 W CB 1.651 31.110 29.460 -0.000 0.000 1.381 722 W HN 0.232 nan 8.180 nan 0.000 0.483 723 L N 3.575 124.967 121.223 0.280 0.000 2.362 723 L HA 0.652 4.992 4.340 -0.000 0.000 0.271 723 L C -0.359 176.728 176.870 0.362 0.000 1.002 723 L CA -1.106 53.922 54.840 0.314 0.000 0.818 723 L CB 1.622 43.901 42.059 0.366 0.000 1.298 723 L HN 0.126 nan 8.230 nan 0.000 0.420 724 V N 3.379 123.433 119.914 0.233 0.000 2.960 724 V HA 0.542 4.662 4.120 -0.000 0.000 0.315 724 V C -0.283 175.587 176.094 -0.374 0.000 1.087 724 V CA -0.800 61.485 62.300 -0.026 0.000 0.982 724 V CB 2.889 34.658 31.823 -0.089 0.000 1.039 724 V HN 0.862 nan 8.190 nan 0.000 0.437 725 R N 3.367 123.326 120.500 -0.900 0.000 2.254 725 R HA 0.398 4.738 4.340 -0.000 0.000 0.318 725 R C -0.322 175.638 176.300 -0.567 0.000 1.031 725 R CA -0.369 54.974 56.100 -1.263 0.000 0.905 725 R CB 0.840 30.196 30.300 -1.572 0.000 1.050 725 R HN 0.771 nan 8.270 nan 0.000 0.456 726 E N 2.504 122.452 120.200 -0.421 0.000 2.259 726 E HA 0.200 4.550 4.350 -0.000 0.000 0.281 726 E C -0.394 176.090 176.600 -0.193 0.000 1.027 726 E CA -0.445 55.825 56.400 -0.217 0.000 0.838 726 E CB 1.525 31.146 29.700 -0.131 0.000 1.066 726 E HN 0.680 nan 8.360 nan 0.000 0.401 727 A N 3.950 126.691 122.820 -0.132 0.000 2.406 727 A HA 0.057 4.377 4.320 -0.000 0.000 0.243 727 A C 0.439 177.981 177.584 -0.070 0.000 1.082 727 A CA -0.248 51.728 52.037 -0.101 0.000 0.786 727 A CB 0.407 19.365 19.000 -0.071 0.000 1.029 727 A HN 0.553 nan 8.150 nan 0.000 0.495 728 E N 0.000 120.167 120.200 -0.054 0.000 2.725 728 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 728 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 728 E CB 0.000 29.690 29.700 -0.017 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440