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 3fip_1_A DATA FIRST_RESID 146 DATA SEQUENCE LMLDYNLNGT VSRNYQGGDS HQFSYNGTVG GNLGPWRLRA DYQGSQEQSR DATA SEQUENCE YXXXKTTNRN FTWSRFYLFR AIPRWRANLT LGENNINSDI FRSWSYTGAS DATA SEQUENCE LESDDXXXXX XXXXXAPQIT GIAETNARVV VSQQGRVLYD SMVPAGPFSI DATA SEQUENCE QDLDSSVRGR LDVEVIEQNG RKKTFQVDTA SVPYLTRPGQ VRYKLVSGRS DATA SEQUENCE RGYXXXXXGP VFATGEASWG LSNQWSLYGG AVLAGDYNAL AAGAGWDLGV DATA SEQUENCE PGTLSADITQ SVARIEXXRT FQGKSWRLSY SKRXXXXXXX ITFAGYRFSE DATA SEQUENCE RNYMTMEQYL NARYRNDYSS REKEMYTVTL NKNVXXXNTS FNLQYSRQTY DATA SEQUENCE WDIRKTDYYT VSVNRYFXXX XXXXVAVGLS ASRSXXXXRD NDSAYLRISV DATA SEQUENCE PLXXXTASYS GSMSXXRYVN MAGYTDTFNX XXDSYSLNAG LNSXXXXXSQ DATA SEQUENCE RQINAYYSHR SPLANLSANI ASLQKXYTSF GVSASGGATI T 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 146 L HA 0.000 nan 4.340 nan 0.000 0.249 146 L C 0.000 176.887 176.870 0.029 0.000 1.165 146 L CA 0.000 54.852 54.840 0.019 0.000 0.813 146 L CB 0.000 42.068 42.059 0.015 0.000 0.961 147 M N 3.753 123.375 119.600 0.037 0.000 2.739 147 M HA 0.857 5.338 4.480 0.001 0.000 0.284 147 M C -1.976 174.367 176.300 0.071 0.000 1.103 147 M CA -0.989 54.343 55.300 0.052 0.000 0.809 147 M CB 2.101 34.731 32.600 0.050 0.000 1.708 147 M HN 0.644 nan 8.290 nan 0.000 0.481 148 L N 1.008 122.287 121.223 0.095 0.000 2.641 148 L HA 0.400 4.740 4.340 0.001 0.000 0.261 148 L C -2.136 174.821 176.870 0.146 0.000 0.926 148 L CA -0.162 54.761 54.840 0.138 0.000 0.917 148 L CB 1.954 44.101 42.059 0.147 0.000 1.361 148 L HN 0.661 nan 8.230 nan 0.000 0.417 149 D N 3.253 123.730 120.400 0.130 0.000 2.505 149 D HA 0.283 4.924 4.640 0.001 0.000 0.242 149 D C -0.945 175.377 176.300 0.037 0.000 1.136 149 D CA -0.148 53.868 54.000 0.027 0.000 0.954 149 D CB 0.150 40.939 40.800 -0.018 0.000 1.002 149 D HN 0.415 nan 8.370 nan 0.000 0.512 150 Y N 1.136 121.495 120.300 0.099 0.000 2.359 150 Y HA 0.385 4.936 4.550 0.001 0.000 0.330 150 Y C -0.485 175.442 175.900 0.046 0.000 1.143 150 Y CA -0.933 57.239 58.100 0.120 0.000 1.318 150 Y CB 0.441 38.966 38.460 0.108 0.000 1.234 150 Y HN 0.152 nan 8.280 nan 0.000 0.522 151 N N 4.995 123.813 118.700 0.196 0.000 2.346 151 N HA 0.559 5.299 4.740 0.001 0.000 0.289 151 N C -2.101 173.495 175.510 0.145 0.000 1.027 151 N CA -0.733 52.373 53.050 0.093 0.000 0.864 151 N CB 1.015 39.443 38.487 -0.099 0.000 1.370 151 N HN 0.778 nan 8.380 nan 0.000 0.481 152 L N 2.998 124.318 121.223 0.161 0.000 2.441 152 L HA 0.464 4.804 4.340 0.001 0.000 0.270 152 L C -0.869 176.033 176.870 0.053 0.000 0.973 152 L CA -0.758 54.150 54.840 0.113 0.000 0.842 152 L CB 1.795 43.980 42.059 0.209 0.000 1.239 152 L HN 0.515 nan 8.230 nan 0.000 0.406 153 N N 1.800 120.471 118.700 -0.047 0.000 2.319 153 N HA 0.817 5.558 4.740 0.001 0.000 0.305 153 N C -0.527 175.046 175.510 0.104 0.000 1.103 153 N CA -0.779 52.261 53.050 -0.017 0.000 0.815 153 N CB 2.833 41.264 38.487 -0.094 0.000 1.288 153 N HN 0.639 nan 8.380 nan 0.000 0.493 154 G N -0.484 108.396 108.800 0.135 0.000 2.659 154 G HA2 0.622 4.582 3.960 0.001 0.000 0.296 154 G HA3 0.622 4.582 3.960 0.001 0.000 0.296 154 G C -1.255 173.680 174.900 0.057 0.000 1.369 154 G CA -0.390 44.835 45.100 0.208 0.000 0.937 154 G HN 0.475 nan 8.290 nan 0.000 0.485 155 T N -1.886 112.716 114.554 0.080 0.000 2.889 155 T HA 0.656 5.006 4.350 0.001 0.000 0.315 155 T C -1.806 172.946 174.700 0.086 0.000 1.291 155 T CA -0.507 61.611 62.100 0.031 0.000 1.028 155 T CB 2.006 70.865 68.868 -0.016 0.000 1.235 155 T HN 0.988 nan 8.240 nan 0.000 0.491 156 V N 3.048 123.017 119.914 0.091 0.000 2.567 156 V HA 0.641 4.761 4.120 0.001 0.000 0.298 156 V C -0.430 175.691 176.094 0.046 0.000 1.047 156 V CA -0.722 61.621 62.300 0.072 0.000 0.880 156 V CB 2.010 33.937 31.823 0.173 0.000 1.009 156 V HN 1.106 nan 8.190 nan 0.000 0.429 157 S N 5.077 120.756 115.700 -0.036 0.000 2.532 157 S HA 0.846 5.317 4.470 0.001 0.000 0.301 157 S C -0.368 174.218 174.600 -0.023 0.000 1.083 157 S CA -0.975 57.225 58.200 -0.000 0.000 1.025 157 S CB 2.227 65.408 63.200 -0.031 0.000 1.056 157 S HN 0.748 nan 8.310 nan 0.000 0.494 158 R N 1.116 121.641 120.500 0.041 0.000 3.018 158 R HA 0.723 5.064 4.340 0.001 0.000 0.243 158 R C -1.094 175.251 176.300 0.076 0.000 1.315 158 R CA -1.059 55.059 56.100 0.030 0.000 1.039 158 R CB 0.719 31.035 30.300 0.027 0.000 1.315 158 R HN 0.598 nan 8.270 nan 0.000 0.492 159 N N -1.239 117.495 118.700 0.057 0.000 2.537 159 N HA 0.172 4.913 4.740 0.001 0.000 0.281 159 N C 0.070 175.608 175.510 0.047 0.000 1.097 159 N CA -0.265 52.827 53.050 0.069 0.000 0.964 159 N CB 0.667 39.183 38.487 0.048 0.000 1.588 159 N HN 0.595 nan 8.380 nan 0.000 0.511 160 Y N 1.714 122.043 120.300 0.048 0.000 2.014 160 Y HA -0.263 4.287 4.550 0.001 0.000 0.272 160 Y C 1.962 177.877 175.900 0.026 0.000 1.164 160 Y CA 2.441 60.559 58.100 0.029 0.000 1.114 160 Y CB -1.276 37.198 38.460 0.025 0.000 0.961 160 Y HN 0.827 nan 8.280 nan 0.000 0.489 161 Q N 1.075 120.892 119.800 0.030 0.000 2.576 161 Q HA 0.182 4.523 4.340 0.001 0.000 0.218 161 Q C 1.293 177.306 176.000 0.021 0.000 0.983 161 Q CA 1.145 56.962 55.803 0.024 0.000 0.920 161 Q CB -0.610 28.143 28.738 0.025 0.000 0.973 161 Q HN 1.681 nan 8.270 nan 0.000 0.528 162 G N -0.605 108.208 108.800 0.022 0.000 2.155 162 G HA2 -0.082 3.879 3.960 0.001 0.000 0.135 162 G HA3 -0.082 3.879 3.960 0.001 0.000 0.135 162 G C 0.081 174.990 174.900 0.014 0.000 1.023 162 G CA -0.397 44.713 45.100 0.017 0.000 0.688 162 G HN 0.726 nan 8.290 nan 0.000 0.499 163 G N -0.617 108.191 108.800 0.013 0.000 2.432 163 G HA2 0.624 4.585 3.960 0.001 0.000 0.331 163 G HA3 0.624 4.585 3.960 0.001 0.000 0.331 163 G C -1.366 173.524 174.900 -0.016 0.000 1.170 163 G CA -0.422 44.680 45.100 0.003 0.000 0.943 163 G HN 0.083 nan 8.290 nan 0.000 0.483 164 D N -0.554 119.824 120.400 -0.038 0.000 2.350 164 D HA 0.651 5.291 4.640 0.001 0.000 0.245 164 D C -0.662 175.550 176.300 -0.147 0.000 1.036 164 D CA -0.165 53.770 54.000 -0.109 0.000 0.848 164 D CB 2.037 42.774 40.800 -0.106 0.000 1.307 164 D HN 0.314 nan 8.370 nan 0.000 0.469 165 S N 1.227 116.782 115.700 -0.243 0.000 2.619 165 S HA 0.456 4.927 4.470 0.001 0.000 0.280 165 S C -1.644 172.773 174.600 -0.306 0.000 1.150 165 S CA -0.656 57.427 58.200 -0.195 0.000 0.978 165 S CB 0.268 63.414 63.200 -0.090 0.000 1.041 165 S HN 0.397 nan 8.310 nan 0.000 0.485 166 H N 2.142 121.232 119.070 0.034 0.000 2.492 166 H HA 0.640 5.197 4.556 0.001 0.000 0.345 166 H C -0.146 175.214 175.328 0.053 0.000 1.136 166 H CA -0.634 55.442 56.048 0.046 0.000 1.202 166 H CB 1.342 31.129 29.762 0.042 0.000 1.524 166 H HN 0.451 nan 8.280 nan 0.000 0.506 167 Q N 2.542 122.451 119.800 0.182 0.000 2.423 167 Q HA 0.438 4.779 4.340 0.001 0.000 0.278 167 Q C -1.842 174.306 176.000 0.246 0.000 1.097 167 Q CA -1.059 54.830 55.803 0.145 0.000 0.809 167 Q CB 2.801 31.571 28.738 0.054 0.000 1.391 167 Q HN 0.664 nan 8.270 nan 0.000 0.428 168 F N 1.911 121.869 119.950 0.013 0.000 2.911 168 F HA 0.309 4.836 4.527 0.001 0.000 0.349 168 F C -1.424 174.365 175.800 -0.018 0.000 1.222 168 F CA -0.266 57.751 58.000 0.028 0.000 1.164 168 F CB 0.815 39.857 39.000 0.071 0.000 1.454 168 F HN 0.508 nan 8.300 nan 0.000 0.616 169 S N 4.230 119.573 115.700 -0.595 0.000 2.766 169 S HA 0.985 5.456 4.470 0.001 0.000 0.307 169 S C -1.176 172.931 174.600 -0.822 0.000 1.121 169 S CA -0.543 57.216 58.200 -0.734 0.000 0.980 169 S CB 2.467 65.404 63.200 -0.438 0.000 1.159 169 S HN 1.186 nan 8.310 nan 0.000 0.546 170 Y N -1.543 118.499 120.300 -0.431 0.000 2.458 170 Y HA 0.542 5.092 4.550 0.001 0.000 0.330 170 Y C -1.293 174.469 175.900 -0.229 0.000 1.292 170 Y CA -1.173 56.746 58.100 -0.302 0.000 1.262 170 Y CB 0.125 38.409 38.460 -0.294 0.000 1.324 170 Y HN 0.960 nan 8.280 nan 0.000 0.468 171 N N 1.371 120.021 118.700 -0.085 0.000 3.278 171 N HA 0.863 5.604 4.740 0.001 0.000 0.307 171 N C -0.428 174.611 175.510 -0.785 0.000 1.551 171 N CA -0.591 52.149 53.050 -0.516 0.000 0.794 171 N CB 2.028 40.261 38.487 -0.423 0.000 1.770 171 N HN 1.591 nan 8.380 nan 0.000 0.612 172 G N -1.298 106.889 108.800 -1.022 0.000 2.356 172 G HA2 0.333 4.293 3.960 0.001 0.000 0.288 172 G HA3 0.333 4.293 3.960 0.001 0.000 0.288 172 G C -1.994 172.784 174.900 -0.203 0.000 1.302 172 G CA -0.545 44.259 45.100 -0.492 0.000 0.887 172 G HN 0.660 nan 8.290 nan 0.000 0.521 173 T N -0.404 114.227 114.554 0.128 0.000 2.893 173 T HA 0.613 4.963 4.350 0.001 0.000 0.293 173 T C -0.919 173.926 174.700 0.242 0.000 1.027 173 T CA -0.390 61.819 62.100 0.183 0.000 0.988 173 T CB 2.035 70.957 68.868 0.090 0.000 1.043 173 T HN 0.844 nan 8.240 nan 0.000 0.461 174 V N 2.845 122.891 119.914 0.221 0.000 2.326 174 V HA 0.689 4.810 4.120 0.001 0.000 0.281 174 V C 0.617 176.742 176.094 0.051 0.000 1.015 174 V CA -0.436 61.951 62.300 0.145 0.000 0.823 174 V CB 1.217 33.142 31.823 0.171 0.000 1.009 174 V HN 1.038 nan 8.190 nan 0.000 0.436 175 G N 2.765 111.589 108.800 0.041 0.000 2.509 175 G HA2 0.855 4.816 3.960 0.001 0.000 0.328 175 G HA3 0.855 4.816 3.960 0.001 0.000 0.328 175 G C -0.258 174.646 174.900 0.008 0.000 1.194 175 G CA -0.361 44.745 45.100 0.010 0.000 0.967 175 G HN 1.045 nan 8.290 nan 0.000 0.488 176 G N -0.613 108.188 108.800 0.002 0.000 2.673 176 G HA2 0.480 4.441 3.960 0.001 0.000 0.292 176 G HA3 0.480 4.441 3.960 0.001 0.000 0.292 176 G C -1.785 173.125 174.900 0.016 0.000 1.450 176 G CA -0.780 44.325 45.100 0.009 0.000 0.837 176 G HN 0.495 nan 8.290 nan 0.000 0.505 177 N N 0.703 119.417 118.700 0.022 0.000 2.573 177 N HA 0.326 5.066 4.740 0.001 0.000 0.262 177 N C -1.080 174.457 175.510 0.046 0.000 1.029 177 N CA -0.528 52.540 53.050 0.031 0.000 0.882 177 N CB 2.016 40.512 38.487 0.015 0.000 1.204 177 N HN 0.202 nan 8.380 nan 0.000 0.519 178 L N 2.184 123.457 121.223 0.083 0.000 2.312 178 L HA 0.358 4.699 4.340 0.001 0.000 0.287 178 L C 1.590 178.549 176.870 0.149 0.000 1.091 178 L CA 0.633 55.536 54.840 0.105 0.000 0.846 178 L CB -0.240 41.877 42.059 0.097 0.000 1.219 178 L HN 0.827 nan 8.230 nan 0.000 0.439 179 G N 5.759 114.606 108.800 0.077 0.000 2.651 179 G HA2 -0.345 3.615 3.960 0.001 0.000 0.315 179 G HA3 -0.345 3.615 3.960 0.001 0.000 0.315 179 G C -1.301 173.592 174.900 -0.012 0.000 1.258 179 G CA 0.303 45.426 45.100 0.039 0.000 1.002 179 G HN 0.527 nan 8.290 nan 0.000 0.551 180 P HA 0.131 nan 4.420 nan 0.000 0.233 180 P C 0.372 177.483 177.300 -0.316 0.000 1.167 180 P CA 0.820 63.766 63.100 -0.256 0.000 0.770 180 P CB 0.096 31.547 31.700 -0.414 0.000 0.837 181 W N 0.722 121.952 121.300 -0.115 0.000 2.313 181 W HA 0.372 5.032 4.660 0.001 0.000 0.328 181 W C 0.612 177.031 176.519 -0.166 0.000 1.197 181 W CA -0.724 56.536 57.345 -0.141 0.000 1.235 181 W CB 0.846 30.256 29.460 -0.083 0.000 1.158 181 W HN -0.368 nan 8.180 nan 0.000 0.578 182 R N 3.148 123.712 120.500 0.107 0.000 2.337 182 R HA 0.458 4.798 4.340 0.001 0.000 0.319 182 R C -1.127 175.213 176.300 0.067 0.000 0.954 182 R CA -0.776 55.321 56.100 -0.006 0.000 0.840 182 R CB 1.139 31.297 30.300 -0.237 0.000 1.164 182 R HN 0.426 nan 8.270 nan 0.000 0.472 183 L N 3.790 125.025 121.223 0.021 0.000 2.298 183 L HA 0.556 4.897 4.340 0.001 0.000 0.284 183 L C -0.734 176.071 176.870 -0.109 0.000 1.013 183 L CA -0.479 54.338 54.840 -0.037 0.000 0.824 183 L CB 0.697 42.750 42.059 -0.009 0.000 1.221 183 L HN 0.544 nan 8.230 nan 0.000 0.418 184 R N 4.021 124.370 120.500 -0.253 0.000 2.564 184 R HA 0.733 5.074 4.340 0.001 0.000 0.284 184 R C -1.425 174.721 176.300 -0.257 0.000 1.031 184 R CA -0.722 55.217 56.100 -0.269 0.000 0.904 184 R CB 2.252 32.360 30.300 -0.319 0.000 1.199 184 R HN 0.634 nan 8.270 nan 0.000 0.443 185 A N 2.930 125.649 122.820 -0.168 0.000 2.375 185 A HA 0.372 4.692 4.320 0.001 0.000 0.291 185 A C -1.239 176.478 177.584 0.220 0.000 1.160 185 A CA -0.833 51.100 52.037 -0.172 0.000 0.747 185 A CB 0.942 19.556 19.000 -0.645 0.000 1.170 185 A HN 0.558 nan 8.150 nan 0.000 0.458 186 D N 1.829 122.377 120.400 0.248 0.000 2.304 186 D HA 0.491 5.131 4.640 0.001 0.000 0.250 186 D C -0.537 175.879 176.300 0.193 0.000 1.107 186 D CA 0.937 55.039 54.000 0.171 0.000 0.885 186 D CB 0.722 41.561 40.800 0.065 0.000 1.192 186 D HN 0.540 nan 8.370 nan 0.000 0.436 187 Y N -0.363 119.871 120.300 -0.110 0.000 2.442 187 Y HA 0.500 5.051 4.550 0.001 0.000 0.344 187 Y C -0.533 175.256 175.900 -0.185 0.000 0.976 187 Y CA -1.031 56.831 58.100 -0.396 0.000 1.040 187 Y CB 1.183 39.150 38.460 -0.822 0.000 1.228 187 Y HN 0.372 nan 8.280 nan 0.000 0.451 188 Q N 2.590 122.265 119.800 -0.209 0.000 2.882 188 Q HA 0.924 5.265 4.340 0.001 0.000 0.315 188 Q C -1.000 174.979 176.000 -0.035 0.000 1.004 188 Q CA -1.245 54.450 55.803 -0.181 0.000 0.777 188 Q CB 2.615 31.193 28.738 -0.266 0.000 1.506 188 Q HN 1.590 nan 8.270 nan 0.000 0.489 189 G N 0.224 108.812 108.800 -0.353 0.000 2.306 189 G HA2 0.343 4.304 3.960 0.001 0.000 0.340 189 G HA3 0.343 4.304 3.960 0.001 0.000 0.340 189 G C -1.235 173.129 174.900 -0.893 0.000 1.630 189 G CA -0.218 44.640 45.100 -0.404 0.000 0.937 189 G HN 1.104 nan 8.290 nan 0.000 0.693 190 S N 0.274 115.700 115.700 -0.457 0.000 2.541 190 S HA 0.833 5.304 4.470 0.001 0.000 0.280 190 S C -0.803 173.718 174.600 -0.132 0.000 1.112 190 S CA -0.600 57.371 58.200 -0.382 0.000 0.925 190 S CB 2.447 65.493 63.200 -0.256 0.000 1.067 190 S HN 1.363 nan 8.310 nan 0.000 0.479 191 Q N 1.240 121.023 119.800 -0.027 0.000 2.305 191 Q HA 0.586 4.927 4.340 0.001 0.000 0.271 191 Q C -1.815 174.242 176.000 0.095 0.000 1.046 191 Q CA -0.442 55.399 55.803 0.064 0.000 0.798 191 Q CB 1.802 30.632 28.738 0.153 0.000 1.286 191 Q HN 0.802 nan 8.270 nan 0.000 0.435 192 E N 2.078 122.319 120.200 0.068 0.000 2.416 192 E HA 0.409 4.759 4.350 0.001 0.000 0.273 192 E C -1.614 175.035 176.600 0.081 0.000 0.935 192 E CA -0.772 55.678 56.400 0.083 0.000 0.784 192 E CB 2.384 32.114 29.700 0.049 0.000 1.301 192 E HN 0.493 nan 8.360 nan 0.000 0.454 193 Q N 0.899 120.766 119.800 0.111 0.000 2.285 193 Q HA 0.566 4.907 4.340 0.001 0.000 0.269 193 Q C -1.190 174.864 176.000 0.090 0.000 1.030 193 Q CA -0.476 55.393 55.803 0.111 0.000 0.788 193 Q CB 1.727 30.562 28.738 0.162 0.000 1.266 193 Q HN 0.607 nan 8.270 nan 0.000 0.438 194 S N 2.220 117.951 115.700 0.052 0.000 2.747 194 S HA 0.703 5.174 4.470 0.001 0.000 0.300 194 S C -0.865 173.753 174.600 0.030 0.000 1.121 194 S CA -0.717 57.498 58.200 0.025 0.000 0.995 194 S CB 1.121 64.328 63.200 0.011 0.000 1.113 194 S HN 0.513 nan 8.310 nan 0.000 0.547 195 R N 0.355 120.863 120.500 0.013 0.000 2.522 195 R HA 0.521 4.861 4.340 0.001 0.000 0.283 195 R C -1.040 175.267 176.300 0.012 0.000 1.074 195 R CA -0.446 55.665 56.100 0.018 0.000 0.925 195 R CB 0.547 30.862 30.300 0.025 0.000 1.205 195 R HN 0.720 nan 8.270 nan 0.000 0.436 201 T N 0.696 115.264 114.554 0.024 0.000 2.916 201 T HA 0.772 5.123 4.350 0.001 0.000 0.292 201 T C -1.197 173.520 174.700 0.030 0.000 1.064 201 T CA -0.120 61.993 62.100 0.023 0.000 1.011 201 T CB 1.878 70.756 68.868 0.016 0.000 1.152 201 T HN 0.632 nan 8.240 nan 0.000 0.510 202 T N 1.003 115.573 114.554 0.027 0.000 3.172 202 T HA 0.483 4.834 4.350 0.001 0.000 0.320 202 T C -1.062 173.654 174.700 0.027 0.000 1.085 202 T CA -0.931 61.189 62.100 0.033 0.000 1.052 202 T CB 1.284 70.175 68.868 0.039 0.000 1.107 202 T HN 0.731 nan 8.240 nan 0.000 0.458 203 N N 1.934 120.649 118.700 0.024 0.000 2.489 203 N HA 0.776 5.517 4.740 0.001 0.000 0.284 203 N C -0.605 174.920 175.510 0.025 0.000 1.158 203 N CA -0.743 52.317 53.050 0.017 0.000 0.965 203 N CB 1.431 39.919 38.487 0.002 0.000 1.195 203 N HN 0.998 nan 8.380 nan 0.000 0.506 204 R N 1.566 122.080 120.500 0.024 0.000 2.633 204 R HA 0.333 4.673 4.340 0.001 0.000 0.256 204 R C -1.824 174.502 176.300 0.044 0.000 1.131 204 R CA -0.723 55.401 56.100 0.040 0.000 0.994 204 R CB 0.273 30.608 30.300 0.059 0.000 1.261 204 R HN 0.878 nan 8.270 nan 0.000 0.446 205 N N 3.281 122.011 118.700 0.050 0.000 3.316 205 N HA 0.566 5.307 4.740 0.001 0.000 0.300 205 N C -1.486 174.138 175.510 0.189 0.000 1.567 205 N CA -0.478 52.621 53.050 0.083 0.000 0.821 205 N CB 2.083 40.581 38.487 0.017 0.000 1.748 205 N HN 0.503 nan 8.380 nan 0.000 0.603 206 F N -1.349 118.593 119.950 -0.013 0.000 2.793 206 F HA 0.503 5.030 4.527 0.001 0.000 0.316 206 F C -1.593 174.204 175.800 -0.006 0.000 1.147 206 F CA -0.159 57.846 58.000 0.008 0.000 0.930 206 F CB 1.343 40.389 39.000 0.076 0.000 1.277 206 F HN 0.894 nan 8.300 nan 0.000 0.443 207 T N 1.517 115.244 114.554 -1.378 0.000 2.686 207 T HA 0.346 4.696 4.350 0.001 0.000 0.308 207 T C -2.612 171.464 174.700 -1.040 0.000 1.667 207 T CA -0.457 61.040 62.100 -1.005 0.000 0.987 207 T CB 0.728 69.367 68.868 -0.380 0.000 1.652 207 T HN 0.595 nan 8.240 nan 0.000 0.496 208 W N 2.622 123.706 121.300 -0.359 0.000 2.394 208 W HA 0.417 5.077 4.660 0.001 0.000 0.312 208 W C 1.656 178.137 176.519 -0.063 0.000 0.981 208 W CA -0.301 56.981 57.345 -0.105 0.000 1.519 208 W CB 1.161 30.629 29.460 0.013 0.000 1.304 208 W HN 0.848 nan 8.180 nan 0.000 0.412 209 S N 2.267 117.994 115.700 0.044 0.000 2.359 209 S HA -0.118 4.353 4.470 0.001 0.000 0.224 209 S C 0.881 175.501 174.600 0.034 0.000 1.035 209 S CA 0.914 59.107 58.200 -0.012 0.000 1.018 209 S CB -0.060 63.090 63.200 -0.084 0.000 0.876 209 S HN 0.488 nan 8.310 nan 0.000 0.448 210 R N -0.971 119.589 120.500 0.101 0.000 2.855 210 R HA 0.728 5.069 4.340 0.001 0.000 0.266 210 R C -1.769 174.735 176.300 0.340 0.000 1.034 210 R CA -1.048 55.134 56.100 0.136 0.000 0.944 210 R CB 0.980 31.253 30.300 -0.045 0.000 1.219 210 R HN 0.330 nan 8.270 nan 0.000 0.474 211 F N 1.840 121.914 119.950 0.206 0.000 3.055 211 F HA 0.387 4.914 4.527 0.001 0.000 0.358 211 F C -2.042 173.901 175.800 0.238 0.000 1.262 211 F CA -0.582 57.540 58.000 0.203 0.000 1.172 211 F CB 1.521 40.557 39.000 0.060 0.000 1.503 211 F HN 0.724 nan 8.300 nan 0.000 0.621 212 Y N 4.278 124.808 120.300 0.383 0.000 2.565 212 Y HA 0.717 5.268 4.550 0.001 0.000 0.330 212 Y C -2.085 173.937 175.900 0.203 0.000 1.150 212 Y CA -1.488 56.735 58.100 0.205 0.000 1.055 212 Y CB 1.215 39.730 38.460 0.092 0.000 1.337 212 Y HN 0.359 nan 8.280 nan 0.000 0.457 213 L N 3.942 125.231 121.223 0.110 0.000 2.375 213 L HA 0.701 5.042 4.340 0.001 0.000 0.268 213 L C -0.724 176.367 176.870 0.368 0.000 1.058 213 L CA -1.037 53.852 54.840 0.081 0.000 0.803 213 L CB 1.651 43.653 42.059 -0.096 0.000 1.212 213 L HN 0.799 nan 8.230 nan 0.000 0.451 214 F N 0.581 120.663 119.950 0.220 0.000 2.641 214 F HA 0.713 5.241 4.527 0.001 0.000 0.308 214 F C -1.047 174.927 175.800 0.290 0.000 1.105 214 F CA -1.019 57.169 58.000 0.313 0.000 0.964 214 F CB 1.506 40.643 39.000 0.228 0.000 1.294 214 F HN 0.428 nan 8.300 nan 0.000 0.442 215 R N 3.721 124.147 120.500 -0.123 0.000 2.574 215 R HA 0.838 5.178 4.340 0.001 0.000 0.288 215 R C -1.658 174.451 176.300 -0.318 0.000 1.004 215 R CA -0.678 55.136 56.100 -0.477 0.000 0.895 215 R CB 1.944 31.660 30.300 -0.974 0.000 1.191 215 R HN 1.140 nan 8.270 nan 0.000 0.444 216 A N 5.209 127.824 122.820 -0.341 0.000 2.409 216 A HA 0.381 4.701 4.320 0.001 0.000 0.262 216 A C -0.067 177.434 177.584 -0.138 0.000 1.113 216 A CA -0.550 51.400 52.037 -0.146 0.000 0.790 216 A CB 0.265 19.194 19.000 -0.118 0.000 1.046 216 A HN 0.639 nan 8.150 nan 0.000 0.496 217 I N 5.184 125.729 120.570 -0.042 0.000 2.316 217 I HA 0.193 4.364 4.170 0.001 0.000 0.286 217 I C -1.764 174.381 176.117 0.046 0.000 1.107 217 I CA -2.060 59.236 61.300 -0.006 0.000 1.219 217 I CB -0.129 37.906 38.000 0.058 0.000 1.455 217 I HN 0.406 nan 8.210 nan 0.000 0.498 218 P HA -0.213 nan 4.420 nan 0.000 0.210 218 P C 1.524 178.863 177.300 0.065 0.000 1.151 218 P CA 1.847 64.961 63.100 0.023 0.000 0.949 218 P CB 0.195 31.894 31.700 -0.001 0.000 0.786 219 R N -2.356 118.196 120.500 0.087 0.000 2.237 219 R HA -0.061 4.279 4.340 0.001 0.000 0.219 219 R C 2.232 178.641 176.300 0.181 0.000 1.080 219 R CA 0.884 57.051 56.100 0.113 0.000 0.995 219 R CB -0.631 29.737 30.300 0.113 0.000 0.875 219 R HN 0.428 nan 8.270 nan 0.000 0.462 220 W N -0.090 121.214 121.300 0.007 0.000 3.013 220 W HA 0.054 4.715 4.660 0.001 0.000 0.280 220 W C 0.487 177.031 176.519 0.043 0.000 1.249 220 W CA 1.111 58.474 57.345 0.030 0.000 1.577 220 W CB 0.512 29.993 29.460 0.035 0.000 1.057 220 W HN 0.118 nan 8.180 nan 0.000 0.613 221 R N -0.145 120.464 120.500 0.182 0.000 3.908 221 R HA -0.098 4.243 4.340 0.001 0.000 0.381 221 R C -0.370 175.990 176.300 0.100 0.000 1.135 221 R CA 1.516 57.673 56.100 0.095 0.000 0.990 221 R CB -2.589 27.729 30.300 0.030 0.000 1.557 221 R HN 0.539 nan 8.270 nan 0.000 0.535 222 A N 0.359 123.279 122.820 0.167 0.000 2.515 222 A HA 0.778 5.098 4.320 0.001 0.000 0.296 222 A C -0.876 176.778 177.584 0.116 0.000 1.094 222 A CA -0.268 51.838 52.037 0.116 0.000 0.718 222 A CB 1.075 20.187 19.000 0.185 0.000 1.307 222 A HN 0.681 nan 8.150 nan 0.000 0.408 223 N N 1.041 119.804 118.700 0.105 0.000 2.421 223 N HA 0.449 5.190 4.740 0.001 0.000 0.285 223 N C -1.256 174.363 175.510 0.181 0.000 1.027 223 N CA -0.411 52.735 53.050 0.159 0.000 0.918 223 N CB 2.037 40.685 38.487 0.269 0.000 1.152 223 N HN 0.499 nan 8.380 nan 0.000 0.485 224 L N 1.501 122.829 121.223 0.174 0.000 2.276 224 L HA 0.379 4.719 4.340 0.001 0.000 0.286 224 L C 0.141 177.224 176.870 0.356 0.000 1.061 224 L CA 0.109 55.079 54.840 0.216 0.000 0.807 224 L CB 1.006 43.169 42.059 0.174 0.000 1.177 224 L HN 0.660 nan 8.230 nan 0.000 0.429 225 T N 6.315 121.075 114.554 0.344 0.000 2.847 225 T HA 0.626 4.977 4.350 0.001 0.000 0.291 225 T C -1.154 173.744 174.700 0.331 0.000 0.998 225 T CA -0.603 61.750 62.100 0.423 0.000 0.967 225 T CB 0.540 69.620 68.868 0.353 0.000 0.954 225 T HN 0.646 nan 8.240 nan 0.000 0.441 226 L N 4.091 125.505 121.223 0.319 0.000 2.409 226 L HA 0.987 5.327 4.340 0.001 0.000 0.272 226 L C -0.013 176.951 176.870 0.156 0.000 0.980 226 L CA 0.389 55.353 54.840 0.207 0.000 0.826 226 L CB 1.598 43.748 42.059 0.152 0.000 1.268 226 L HN 1.059 nan 8.230 nan 0.000 0.407 227 G N 2.599 111.470 108.800 0.118 0.000 2.247 227 G HA2 0.038 3.999 3.960 0.001 0.000 0.229 227 G HA3 0.038 3.999 3.960 0.001 0.000 0.229 227 G C -1.421 173.462 174.900 -0.029 0.000 1.345 227 G CA -0.463 44.679 45.100 0.070 0.000 1.100 227 G HN 0.785 nan 8.290 nan 0.000 0.473 228 E N 1.094 121.276 120.200 -0.030 0.000 2.283 228 E HA 0.557 4.907 4.350 0.001 0.000 0.278 228 E C -0.027 176.316 176.600 -0.429 0.000 1.027 228 E CA -0.431 55.840 56.400 -0.215 0.000 0.843 228 E CB 1.665 31.327 29.700 -0.063 0.000 1.062 228 E HN 0.484 nan 8.360 nan 0.000 0.401 229 N N 1.562 119.801 118.700 -0.769 0.000 3.449 229 N HA 0.229 4.970 4.740 0.001 0.000 0.312 229 N C -1.736 173.397 175.510 -0.627 0.000 1.557 229 N CA -0.668 51.930 53.050 -0.752 0.000 0.864 229 N CB 1.724 39.794 38.487 -0.696 0.000 1.799 229 N HN 0.361 nan 8.380 nan 0.000 0.554 230 N N 0.778 119.288 118.700 -0.315 0.000 2.397 230 N HA 0.363 5.104 4.740 0.001 0.000 0.291 230 N C -0.658 174.820 175.510 -0.053 0.000 1.065 230 N CA -0.636 52.348 53.050 -0.110 0.000 0.884 230 N CB 2.312 40.717 38.487 -0.137 0.000 1.551 230 N HN 0.457 nan 8.380 nan 0.000 0.487 231 I N -0.162 120.314 120.570 -0.156 0.000 2.587 231 I HA 0.301 4.472 4.170 0.001 0.000 0.284 231 I C -0.559 175.414 176.117 -0.238 0.000 1.134 231 I CA -0.332 60.793 61.300 -0.292 0.000 1.410 231 I CB 0.255 37.799 38.000 -0.759 0.000 1.392 231 I HN 0.547 nan 8.210 nan 0.000 0.545 232 N N 4.911 123.515 118.700 -0.161 0.000 2.430 232 N HA 0.611 5.352 4.740 0.001 0.000 0.292 232 N C -0.910 174.524 175.510 -0.128 0.000 1.051 232 N CA -0.636 52.331 53.050 -0.138 0.000 0.917 232 N CB 1.986 40.394 38.487 -0.131 0.000 1.164 232 N HN 0.731 nan 8.380 nan 0.000 0.484 233 S N 0.010 115.643 115.700 -0.111 0.000 2.579 233 S HA 0.338 4.808 4.470 0.001 0.000 0.272 233 S C -1.025 173.463 174.600 -0.188 0.000 1.141 233 S CA -0.770 57.374 58.200 -0.093 0.000 0.843 233 S CB 1.245 64.500 63.200 0.092 0.000 1.122 233 S HN 0.565 nan 8.310 nan 0.000 0.468 234 D N 2.118 122.297 120.400 -0.367 0.000 2.340 234 D HA 0.325 4.965 4.640 0.001 0.000 0.217 234 D C 0.985 177.089 176.300 -0.328 0.000 1.081 234 D CA 0.448 54.133 54.000 -0.525 0.000 0.842 234 D CB 0.344 40.387 40.800 -1.262 0.000 0.934 234 D HN 0.563 nan 8.370 nan 0.000 0.511 235 I N -1.610 118.826 120.570 -0.223 0.000 4.193 235 I HA 0.088 4.258 4.170 0.001 0.000 0.287 235 I C 0.331 176.299 176.117 -0.249 0.000 1.175 235 I CA 0.030 61.180 61.300 -0.250 0.000 1.320 235 I CB 0.423 38.138 38.000 -0.474 0.000 1.523 235 I HN -0.246 nan 8.210 nan 0.000 0.450 236 F N 1.292 121.299 119.950 0.095 0.000 2.378 236 F HA 0.528 5.056 4.527 0.001 0.000 0.325 236 F C 0.712 176.572 175.800 0.099 0.000 1.097 236 F CA -0.654 57.432 58.000 0.143 0.000 1.079 236 F CB 0.636 39.757 39.000 0.201 0.000 1.240 236 F HN -0.204 nan 8.300 nan 0.000 0.519 237 R N 0.595 121.310 120.500 0.359 0.000 2.490 237 R HA 0.285 4.625 4.340 0.001 0.000 0.278 237 R C 0.041 176.483 176.300 0.237 0.000 1.069 237 R CA -0.200 56.035 56.100 0.225 0.000 1.080 237 R CB 1.182 31.605 30.300 0.204 0.000 1.030 237 R HN 0.731 nan 8.270 nan 0.000 0.491 238 S N 2.299 118.065 115.700 0.110 0.000 2.587 238 S HA 0.402 4.872 4.470 0.001 0.000 0.260 238 S C -1.022 173.694 174.600 0.195 0.000 1.353 238 S CA 0.022 58.232 58.200 0.017 0.000 0.995 238 S CB 0.291 63.470 63.200 -0.035 0.000 0.912 238 S HN 0.542 nan 8.310 nan 0.000 0.568 239 W N 0.191 121.494 121.300 0.005 0.000 3.057 239 W HA 0.652 5.312 4.660 0.001 0.000 0.328 239 W C -1.100 175.456 176.519 0.062 0.000 1.232 239 W CA -0.717 56.623 57.345 -0.007 0.000 1.187 239 W CB -0.012 29.399 29.460 -0.082 0.000 1.417 239 W HN 0.536 nan 8.180 nan 0.000 0.569 240 S N 1.403 117.289 115.700 0.310 0.000 2.634 240 S HA 0.702 5.173 4.470 0.001 0.000 0.261 240 S C -0.994 173.841 174.600 0.391 0.000 1.271 240 S CA 0.319 58.624 58.200 0.175 0.000 0.985 240 S CB 0.668 63.895 63.200 0.045 0.000 0.968 240 S HN 1.209 nan 8.310 nan 0.000 0.568 241 Y N -2.438 117.926 120.300 0.106 0.000 2.879 241 Y HA 0.423 4.974 4.550 0.001 0.000 0.385 241 Y C -1.687 174.282 175.900 0.114 0.000 1.153 241 Y CA -1.013 57.204 58.100 0.195 0.000 1.245 241 Y CB 0.309 38.977 38.460 0.346 0.000 1.472 241 Y HN 0.446 nan 8.280 nan 0.000 0.490 242 T N 2.711 117.429 114.554 0.272 0.000 2.833 242 T HA 0.787 5.138 4.350 0.001 0.000 0.297 242 T C -0.088 174.840 174.700 0.379 0.000 1.015 242 T CA -0.011 62.158 62.100 0.115 0.000 0.963 242 T CB 0.841 69.746 68.868 0.062 0.000 0.955 242 T HN 1.245 nan 8.240 nan 0.000 0.449 243 G N 1.377 110.447 108.800 0.451 0.000 2.619 243 G HA2 0.748 4.709 3.960 0.001 0.000 0.305 243 G HA3 0.748 4.709 3.960 0.001 0.000 0.305 243 G C -1.848 173.239 174.900 0.312 0.000 1.330 243 G CA -0.587 44.748 45.100 0.392 0.000 0.789 243 G HN 0.837 nan 8.290 nan 0.000 0.487 244 A N -0.287 122.635 122.820 0.171 0.000 2.330 244 A HA 0.851 5.171 4.320 0.001 0.000 0.327 244 A C 0.100 177.750 177.584 0.111 0.000 1.155 244 A CA 0.147 52.275 52.037 0.151 0.000 0.803 244 A CB 1.387 20.446 19.000 0.097 0.000 1.208 244 A HN 2.022 nan 8.150 nan 0.000 0.477 245 S N 2.029 117.821 115.700 0.152 0.000 2.513 245 S HA 0.743 5.214 4.470 0.001 0.000 0.299 245 S C -0.981 173.697 174.600 0.130 0.000 1.087 245 S CA -0.570 57.692 58.200 0.104 0.000 1.012 245 S CB 1.239 64.498 63.200 0.100 0.000 1.044 245 S HN 1.122 nan 8.310 nan 0.000 0.485 246 L N 3.017 124.317 121.223 0.128 0.000 2.356 246 L HA 0.734 5.074 4.340 0.001 0.000 0.277 246 L C -0.746 176.216 176.870 0.154 0.000 0.996 246 L CA -0.164 54.775 54.840 0.164 0.000 0.822 246 L CB 1.327 43.507 42.059 0.202 0.000 1.256 246 L HN 1.021 nan 8.230 nan 0.000 0.413 247 E N 2.583 122.809 120.200 0.043 0.000 2.413 247 E HA 0.480 4.831 4.350 0.001 0.000 0.277 247 E C -1.262 175.175 176.600 -0.271 0.000 0.958 247 E CA -0.982 55.311 56.400 -0.178 0.000 0.779 247 E CB 1.430 31.071 29.700 -0.098 0.000 1.278 247 E HN 0.432 nan 8.360 nan 0.000 0.456 248 S N 0.868 116.248 115.700 -0.533 0.000 2.580 248 S HA 0.029 4.499 4.470 0.001 0.000 0.261 248 S C -0.147 174.374 174.600 -0.133 0.000 1.366 248 S CA -0.212 57.785 58.200 -0.339 0.000 0.996 248 S CB 0.277 63.266 63.200 -0.352 0.000 0.902 248 S HN 0.514 nan 8.310 nan 0.000 0.566 249 D N 0.689 121.048 120.400 -0.068 0.000 2.326 249 D HA 0.484 5.125 4.640 0.001 0.000 0.251 249 D C -0.601 175.685 176.300 -0.025 0.000 1.023 249 D CA -0.239 53.747 54.000 -0.023 0.000 0.966 249 D CB 1.142 41.947 40.800 0.007 0.000 1.156 249 D HN 0.727 nan 8.370 nan 0.000 0.494 262 P HA 0.617 nan 4.420 nan 0.000 0.278 262 P C 0.001 177.228 177.300 -0.122 0.000 1.238 262 P CA 0.183 63.204 63.100 -0.133 0.000 0.794 262 P CB 0.889 32.507 31.700 -0.136 0.000 0.955 263 Q N 1.463 121.194 119.800 -0.115 0.000 2.274 263 Q HA 0.663 5.004 4.340 0.001 0.000 0.260 263 Q C -0.642 175.294 176.000 -0.106 0.000 0.974 263 Q CA -0.642 55.093 55.803 -0.114 0.000 0.876 263 Q CB 1.321 29.998 28.738 -0.103 0.000 1.297 263 Q HN 0.594 nan 8.270 nan 0.000 0.446 264 I N 2.878 123.375 120.570 -0.121 0.000 2.448 264 I HA 0.399 4.570 4.170 0.001 0.000 0.281 264 I C 0.225 176.241 176.117 -0.170 0.000 1.027 264 I CA -0.731 60.515 61.300 -0.090 0.000 1.111 264 I CB 1.921 39.873 38.000 -0.080 0.000 1.236 264 I HN 0.892 nan 8.210 nan 0.000 0.452 265 T N 1.860 116.293 114.554 -0.201 0.000 2.922 265 T HA 0.976 5.327 4.350 0.001 0.000 0.281 265 T C 0.132 174.450 174.700 -0.636 0.000 1.005 265 T CA -0.605 61.232 62.100 -0.438 0.000 0.982 265 T CB 2.610 71.308 68.868 -0.284 0.000 1.158 265 T HN 0.867 nan 8.240 nan 0.000 0.566 266 G N -0.552 107.755 108.800 -0.823 0.000 2.345 266 G HA2 0.421 4.382 3.960 0.001 0.000 0.285 266 G HA3 0.421 4.382 3.960 0.001 0.000 0.285 266 G C -1.924 172.754 174.900 -0.371 0.000 1.297 266 G CA -0.758 43.975 45.100 -0.612 0.000 0.875 266 G HN 0.892 nan 8.290 nan 0.000 0.506 267 I N -0.038 120.599 120.570 0.112 0.000 3.145 267 I HA 0.738 4.909 4.170 0.001 0.000 0.313 267 I C -0.083 176.219 176.117 0.309 0.000 1.122 267 I CA -1.249 60.145 61.300 0.157 0.000 0.987 267 I CB 2.402 40.394 38.000 -0.012 0.000 1.236 267 I HN 1.004 nan 8.210 nan 0.000 0.453 268 A N 2.098 124.964 122.820 0.077 0.000 2.457 268 A HA 0.321 4.642 4.320 0.001 0.000 0.283 268 A C 0.543 178.127 177.584 -0.000 0.000 1.166 268 A CA -0.485 51.556 52.037 0.007 0.000 0.740 268 A CB 1.125 20.044 19.000 -0.134 0.000 1.181 268 A HN 0.918 nan 8.150 nan 0.000 0.446 269 E N 2.018 122.239 120.200 0.035 0.000 2.108 269 E HA -0.210 4.141 4.350 0.001 0.000 0.203 269 E C 1.030 177.657 176.600 0.045 0.000 1.022 269 E CA 2.298 58.726 56.400 0.048 0.000 0.823 269 E CB 0.058 29.783 29.700 0.041 0.000 0.744 269 E HN 0.835 nan 8.360 nan 0.000 0.456 270 T N -2.526 112.040 114.554 0.021 0.000 2.716 270 T HA 0.252 4.602 4.350 0.001 0.000 0.286 270 T C -0.268 174.433 174.700 0.001 0.000 1.052 270 T CA -0.872 61.249 62.100 0.036 0.000 1.024 270 T CB 0.896 69.794 68.868 0.051 0.000 1.349 270 T HN -0.064 nan 8.240 nan 0.000 0.525 271 N N 1.632 120.353 118.700 0.036 0.000 3.059 271 N HA 0.378 5.118 4.740 0.001 0.000 0.321 271 N C 0.485 175.991 175.510 -0.007 0.000 1.224 271 N CA 0.081 53.160 53.050 0.049 0.000 1.197 271 N CB -0.794 37.788 38.487 0.157 0.000 1.453 271 N HN 0.818 nan 8.380 nan 0.000 0.544 272 A N 1.026 123.803 122.820 -0.071 0.000 2.310 272 A HA 0.313 4.633 4.320 0.001 0.000 0.260 272 A C 0.806 178.318 177.584 -0.120 0.000 1.112 272 A CA -0.405 51.573 52.037 -0.098 0.000 0.804 272 A CB 0.617 19.546 19.000 -0.118 0.000 1.081 272 A HN 0.540 nan 8.150 nan 0.000 0.499 273 R N 0.081 120.510 120.500 -0.117 0.000 2.437 273 R HA 0.567 4.907 4.340 0.001 0.000 0.310 273 R C -1.970 174.255 176.300 -0.124 0.000 0.955 273 R CA -0.404 55.625 56.100 -0.118 0.000 0.851 273 R CB 1.277 31.515 30.300 -0.103 0.000 1.161 273 R HN 0.420 nan 8.270 nan 0.000 0.446 274 V N 4.769 124.617 119.914 -0.110 0.000 2.427 274 V HA 0.419 4.540 4.120 0.001 0.000 0.286 274 V C -0.296 175.812 176.094 0.022 0.000 1.034 274 V CA -0.677 61.589 62.300 -0.056 0.000 0.893 274 V CB 1.669 33.451 31.823 -0.069 0.000 0.982 274 V HN 0.551 nan 8.190 nan 0.000 0.452 275 V N 5.031 124.936 119.914 -0.015 0.000 2.588 275 V HA 0.629 4.750 4.120 0.001 0.000 0.304 275 V C -0.392 175.677 176.094 -0.040 0.000 1.042 275 V CA -0.621 61.661 62.300 -0.031 0.000 0.877 275 V CB 1.952 33.716 31.823 -0.097 0.000 0.996 275 V HN 0.594 nan 8.190 nan 0.000 0.425 276 V N 3.499 123.414 119.914 0.002 0.000 2.680 276 V HA 0.941 5.062 4.120 0.001 0.000 0.309 276 V C -0.049 176.004 176.094 -0.069 0.000 1.052 276 V CA -0.140 62.128 62.300 -0.054 0.000 0.908 276 V CB 1.977 33.786 31.823 -0.023 0.000 1.001 276 V HN 1.166 nan 8.190 nan 0.000 0.431 277 S N 2.862 118.500 115.700 -0.103 0.000 2.694 277 S HA 0.800 5.271 4.470 0.001 0.000 0.273 277 S C -1.259 173.281 174.600 -0.100 0.000 1.180 277 S CA -0.809 57.331 58.200 -0.100 0.000 0.864 277 S CB 2.169 65.304 63.200 -0.107 0.000 1.198 277 S HN 1.072 nan 8.310 nan 0.000 0.499 278 Q N 0.310 120.055 119.800 -0.091 0.000 2.599 278 Q HA 0.354 4.695 4.340 0.001 0.000 0.248 278 Q C -0.894 175.066 176.000 -0.068 0.000 0.964 278 Q CA -0.598 55.159 55.803 -0.076 0.000 1.011 278 Q CB 0.669 29.362 28.738 -0.074 0.000 1.592 278 Q HN 0.784 nan 8.270 nan 0.000 0.443 279 Q N 0.957 120.727 119.800 -0.050 0.000 1.548 279 Q HA -0.252 4.088 4.340 0.001 0.000 0.362 279 Q C 0.586 176.543 176.000 -0.071 0.000 0.909 279 Q CA 1.934 57.707 55.803 -0.049 0.000 0.779 279 Q CB -1.748 26.960 28.738 -0.049 0.000 3.939 279 Q HN 1.110 nan 8.270 nan 0.000 0.634 280 G N 0.460 109.208 108.800 -0.087 0.000 3.233 280 G HA2 0.205 4.165 3.960 0.001 0.000 0.234 280 G HA3 0.205 4.165 3.960 0.001 0.000 0.234 280 G C 0.349 175.182 174.900 -0.111 0.000 1.137 280 G CA 0.050 45.091 45.100 -0.099 0.000 0.763 280 G HN 0.165 nan 8.290 nan 0.000 0.549 281 R N 0.960 121.395 120.500 -0.107 0.000 2.267 281 R HA 0.348 4.688 4.340 0.001 0.000 0.319 281 R C -0.449 175.781 176.300 -0.118 0.000 1.067 281 R CA -0.278 55.752 56.100 -0.117 0.000 0.936 281 R CB 0.904 31.136 30.300 -0.114 0.000 1.006 281 R HN -0.032 nan 8.270 nan 0.000 0.452 282 V N 7.264 127.098 119.914 -0.134 0.000 2.521 282 V HA -0.004 4.116 4.120 0.001 0.000 0.286 282 V C 1.090 177.115 176.094 -0.114 0.000 1.034 282 V CA 0.495 62.715 62.300 -0.134 0.000 1.045 282 V CB 1.160 32.879 31.823 -0.172 0.000 0.974 282 V HN 0.803 nan 8.190 nan 0.000 0.480 283 L N 5.358 126.537 121.223 -0.073 0.000 2.672 283 L HA 0.409 4.749 4.340 0.001 0.000 0.236 283 L C -0.131 176.770 176.870 0.052 0.000 1.092 283 L CA 0.114 54.932 54.840 -0.037 0.000 0.887 283 L CB 0.301 42.335 42.059 -0.042 0.000 1.168 283 L HN 0.631 nan 8.230 nan 0.000 0.502 284 Y N 0.177 120.408 120.300 -0.114 0.000 2.573 284 Y HA 0.401 4.951 4.550 0.001 0.000 0.328 284 Y C -1.991 173.842 175.900 -0.110 0.000 1.170 284 Y CA -1.512 56.528 58.100 -0.100 0.000 1.078 284 Y CB 1.693 40.107 38.460 -0.077 0.000 1.341 284 Y HN -0.010 nan 8.280 nan 0.000 0.459 285 D N 3.072 123.130 120.400 -0.570 0.000 2.881 285 D HA 0.366 5.006 4.640 0.001 0.000 0.238 285 D C -1.786 174.255 176.300 -0.432 0.000 1.368 285 D CA 0.522 54.305 54.000 -0.361 0.000 0.871 285 D CB 0.241 40.881 40.800 -0.267 0.000 1.516 285 D HN 0.757 nan 8.370 nan 0.000 0.544 286 S N 1.070 116.499 115.700 -0.451 0.000 2.643 286 S HA 0.556 5.027 4.470 0.001 0.000 0.270 286 S C -0.116 174.404 174.600 -0.133 0.000 1.166 286 S CA -0.988 57.036 58.200 -0.294 0.000 0.815 286 S CB 0.961 63.954 63.200 -0.344 0.000 1.139 286 S HN 0.186 nan 8.310 nan 0.000 0.472 287 M N 1.483 121.031 119.600 -0.087 0.000 2.235 287 M HA 0.233 4.714 4.480 0.001 0.000 0.336 287 M C -0.917 175.416 176.300 0.055 0.000 1.146 287 M CA 0.456 55.744 55.300 -0.020 0.000 1.018 287 M CB 0.278 32.862 32.600 -0.026 0.000 1.694 287 M HN 0.573 nan 8.290 nan 0.000 0.451 288 V N 4.742 124.680 119.914 0.041 0.000 2.888 288 V HA 0.411 4.531 4.120 0.001 0.000 0.309 288 V C -2.430 173.651 176.094 -0.023 0.000 1.114 288 V CA -1.524 60.763 62.300 -0.021 0.000 0.940 288 V CB 2.667 34.336 31.823 -0.257 0.000 1.021 288 V HN 0.650 nan 8.190 nan 0.000 0.426 289 P HA 0.319 nan 4.420 nan 0.000 0.282 289 P C -0.323 176.837 177.300 -0.233 0.000 1.274 289 P CA -0.080 62.747 63.100 -0.456 0.000 0.770 289 P CB 0.743 31.866 31.700 -0.963 0.000 0.867 290 A N 3.733 126.484 122.820 -0.115 0.000 2.622 290 A HA 0.367 4.687 4.320 0.001 0.000 0.235 290 A C 1.060 178.564 177.584 -0.133 0.000 1.013 290 A CA 1.526 53.512 52.037 -0.085 0.000 0.765 290 A CB -1.273 17.725 19.000 -0.003 0.000 0.921 290 A HN 0.864 nan 8.150 nan 0.000 0.506 291 G N 2.183 110.840 108.800 -0.238 0.000 2.315 291 G HA2 0.283 4.244 3.960 0.001 0.000 0.296 291 G HA3 0.283 4.244 3.960 0.001 0.000 0.296 291 G C -3.354 171.228 174.900 -0.530 0.000 1.289 291 G CA -0.242 44.484 45.100 -0.623 0.000 0.996 291 G HN 0.922 nan 8.290 nan 0.000 0.487 292 P HA 0.576 nan 4.420 nan 0.000 0.274 292 P C -0.900 176.399 177.300 -0.002 0.000 1.231 292 P CA -0.005 62.937 63.100 -0.263 0.000 0.790 292 P CB 0.794 32.330 31.700 -0.274 0.000 0.951 293 F N -1.315 118.540 119.950 -0.159 0.000 2.643 293 F HA 0.754 5.282 4.527 0.001 0.000 0.314 293 F C -1.100 174.649 175.800 -0.084 0.000 1.096 293 F CA -1.110 56.822 58.000 -0.114 0.000 0.953 293 F CB 1.716 40.664 39.000 -0.086 0.000 1.345 293 F HN 0.404 nan 8.300 nan 0.000 0.468 294 S N 1.979 117.696 115.700 0.027 0.000 2.536 294 S HA 0.811 5.281 4.470 0.001 0.000 0.271 294 S C -1.691 172.889 174.600 -0.032 0.000 1.134 294 S CA -0.570 57.581 58.200 -0.082 0.000 0.897 294 S CB 1.652 64.799 63.200 -0.087 0.000 1.094 294 S HN 0.822 nan 8.310 nan 0.000 0.473 295 I N 3.999 124.497 120.570 -0.120 0.000 2.540 295 I HA 0.300 4.470 4.170 0.001 0.000 0.280 295 I C 0.492 176.441 176.117 -0.279 0.000 1.083 295 I CA -0.395 60.755 61.300 -0.250 0.000 1.080 295 I CB 2.044 39.773 38.000 -0.452 0.000 1.205 295 I HN 0.792 nan 8.210 nan 0.000 0.459 296 Q N 2.574 122.253 119.800 -0.202 0.000 2.247 296 Q HA 0.133 4.473 4.340 0.001 0.000 0.204 296 Q C -0.130 175.805 176.000 -0.107 0.000 0.872 296 Q CA 0.171 55.888 55.803 -0.144 0.000 0.951 296 Q CB 0.253 28.938 28.738 -0.089 0.000 1.099 296 Q HN 0.540 nan 8.270 nan 0.000 0.501 297 D N 1.298 121.638 120.400 -0.101 0.000 2.363 297 D HA 0.102 4.743 4.640 0.001 0.000 0.226 297 D C 0.248 176.562 176.300 0.022 0.000 1.020 297 D CA 0.200 54.219 54.000 0.031 0.000 0.892 297 D CB 0.114 41.057 40.800 0.239 0.000 0.900 297 D HN 0.245 nan 8.370 nan 0.000 0.531 298 L N 1.959 123.151 121.223 -0.053 0.000 2.456 298 L HA 0.118 4.458 4.340 0.001 0.000 0.272 298 L C 1.187 178.023 176.870 -0.056 0.000 1.189 298 L CA -0.386 54.423 54.840 -0.052 0.000 0.846 298 L CB 0.405 42.408 42.059 -0.093 0.000 1.111 298 L HN 0.083 nan 8.230 nan 0.000 0.475 299 D N 0.857 121.225 120.400 -0.054 0.000 2.425 299 D HA -0.006 4.635 4.640 0.001 0.000 0.274 299 D C 0.916 177.172 176.300 -0.073 0.000 1.242 299 D CA -0.352 53.613 54.000 -0.057 0.000 1.060 299 D CB 0.757 41.525 40.800 -0.053 0.000 1.112 299 D HN 0.435 nan 8.370 nan 0.000 0.561 300 S N -0.993 114.664 115.700 -0.072 0.000 2.425 300 S HA -0.129 4.341 4.470 0.001 0.000 0.225 300 S C 1.904 176.447 174.600 -0.095 0.000 1.024 300 S CA 1.143 59.295 58.200 -0.081 0.000 0.951 300 S CB -0.656 62.503 63.200 -0.069 0.000 0.796 300 S HN 0.523 nan 8.310 nan 0.000 0.498 301 S N 0.805 116.448 115.700 -0.096 0.000 2.507 301 S HA 0.084 4.554 4.470 0.001 0.000 0.235 301 S C 0.597 175.127 174.600 -0.116 0.000 0.988 301 S CA 0.156 58.291 58.200 -0.108 0.000 0.944 301 S CB -0.697 62.435 63.200 -0.113 0.000 0.762 301 S HN 0.271 nan 8.310 nan 0.000 0.526 302 V N 4.827 124.674 119.914 -0.113 0.000 2.390 302 V HA 0.189 4.310 4.120 0.001 0.000 0.260 302 V C 0.453 176.473 176.094 -0.124 0.000 1.043 302 V CA -0.136 62.096 62.300 -0.114 0.000 1.047 302 V CB -0.675 31.084 31.823 -0.107 0.000 1.066 302 V HN 0.421 nan 8.190 nan 0.000 0.481 303 R N 3.586 124.014 120.500 -0.120 0.000 2.607 303 R HA 0.830 5.171 4.340 0.001 0.000 0.261 303 R C 0.722 176.963 176.300 -0.099 0.000 1.051 303 R CA 0.084 56.110 56.100 -0.122 0.000 1.110 303 R CB 0.408 30.636 30.300 -0.121 0.000 1.158 303 R HN 0.892 nan 8.270 nan 0.000 0.543 304 G N 0.753 109.499 108.800 -0.091 0.000 2.542 304 G HA2 -0.289 3.671 3.960 0.001 0.000 0.235 304 G HA3 -0.289 3.671 3.960 0.001 0.000 0.235 304 G C -0.721 174.140 174.900 -0.065 0.000 1.286 304 G CA 0.210 45.275 45.100 -0.058 0.000 0.904 304 G HN 0.923 nan 8.290 nan 0.000 0.577 305 R N -0.858 119.615 120.500 -0.046 0.000 2.674 305 R HA 0.850 5.190 4.340 0.001 0.000 0.266 305 R C -0.733 175.528 176.300 -0.065 0.000 1.016 305 R CA -0.951 55.119 56.100 -0.050 0.000 1.062 305 R CB 1.031 31.314 30.300 -0.027 0.000 1.142 305 R HN 0.686 nan 8.270 nan 0.000 0.517 306 L N 1.093 122.267 121.223 -0.082 0.000 2.381 306 L HA 0.375 4.715 4.340 0.001 0.000 0.268 306 L C -1.047 175.735 176.870 -0.147 0.000 0.997 306 L CA -1.045 53.729 54.840 -0.110 0.000 0.818 306 L CB 2.344 44.330 42.059 -0.121 0.000 1.310 306 L HN 0.645 nan 8.230 nan 0.000 0.416 307 D N 2.227 122.536 120.400 -0.151 0.000 2.317 307 D HA 0.362 5.002 4.640 0.001 0.000 0.252 307 D C -0.538 175.596 176.300 -0.277 0.000 1.174 307 D CA 0.127 54.013 54.000 -0.190 0.000 0.866 307 D CB 1.898 42.614 40.800 -0.140 0.000 1.127 307 D HN 0.035 nan 8.370 nan 0.000 0.467 308 V N 1.239 120.880 119.914 -0.454 0.000 2.715 308 V HA 0.728 4.849 4.120 0.001 0.000 0.310 308 V C 0.369 176.166 176.094 -0.495 0.000 1.054 308 V CA -0.689 61.247 62.300 -0.607 0.000 0.928 308 V CB 1.741 32.806 31.823 -1.263 0.000 1.007 308 V HN 0.638 nan 8.190 nan 0.000 0.437 309 E N 2.361 122.380 120.200 -0.303 0.000 2.281 309 E HA 0.640 4.991 4.350 0.001 0.000 0.266 309 E C -1.262 175.291 176.600 -0.079 0.000 0.893 309 E CA -0.493 55.809 56.400 -0.163 0.000 0.798 309 E CB 1.784 31.410 29.700 -0.124 0.000 1.245 309 E HN 0.553 nan 8.360 nan 0.000 0.410 310 V N 2.860 122.775 119.914 0.003 0.000 2.465 310 V HA 0.511 4.632 4.120 0.001 0.000 0.279 310 V C 0.218 176.299 176.094 -0.023 0.000 1.045 310 V CA -0.363 61.943 62.300 0.008 0.000 0.938 310 V CB 1.048 32.934 31.823 0.104 0.000 0.986 310 V HN 0.821 nan 8.190 nan 0.000 0.467 311 I N 4.460 124.994 120.570 -0.061 0.000 2.502 311 I HA 0.293 4.463 4.170 0.001 0.000 0.276 311 I C 0.309 176.381 176.117 -0.074 0.000 1.057 311 I CA -0.412 60.851 61.300 -0.063 0.000 1.163 311 I CB 0.842 38.798 38.000 -0.073 0.000 1.288 311 I HN 0.589 nan 8.210 nan 0.000 0.479 312 E N 4.900 125.060 120.200 -0.067 0.000 2.415 312 E HA 0.002 4.353 4.350 0.001 0.000 0.262 312 E C 0.617 177.138 176.600 -0.133 0.000 1.038 312 E CA 0.063 56.413 56.400 -0.083 0.000 0.921 312 E CB 0.782 30.443 29.700 -0.064 0.000 0.950 312 E HN 0.542 nan 8.360 nan 0.000 0.438 313 Q N 1.263 120.973 119.800 -0.150 0.000 2.437 313 Q HA -0.164 4.177 4.340 0.001 0.000 0.210 313 Q C 1.089 176.794 176.000 -0.492 0.000 0.972 313 Q CA 1.213 56.889 55.803 -0.213 0.000 0.903 313 Q CB -0.140 28.538 28.738 -0.100 0.000 0.967 313 Q HN 0.438 nan 8.270 nan 0.000 0.486 314 N N -0.975 117.409 118.700 -0.527 0.000 2.368 314 N HA 0.081 4.821 4.740 0.001 0.000 0.178 314 N C 1.081 176.383 175.510 -0.348 0.000 1.076 314 N CA 1.040 53.633 53.050 -0.761 0.000 0.889 314 N CB 0.780 38.950 38.487 -0.529 0.000 1.040 314 N HN 0.151 nan 8.380 nan 0.000 0.463 315 G N -0.723 107.953 108.800 -0.207 0.000 2.813 315 G HA2 -0.145 3.815 3.960 0.001 0.000 0.194 315 G HA3 -0.145 3.815 3.960 0.001 0.000 0.194 315 G C -0.315 174.544 174.900 -0.068 0.000 1.010 315 G CA -0.613 44.417 45.100 -0.116 0.000 0.771 315 G HN 0.243 nan 8.290 nan 0.000 0.485 316 R N 1.689 122.154 120.500 -0.058 0.000 2.298 316 R HA 0.594 4.935 4.340 0.001 0.000 0.310 316 R C 0.363 176.650 176.300 -0.023 0.000 1.068 316 R CA 0.525 56.613 56.100 -0.021 0.000 0.957 316 R CB 0.844 31.142 30.300 -0.003 0.000 1.003 316 R HN 0.425 nan 8.270 nan 0.000 0.454 317 K N 2.668 123.061 120.400 -0.011 0.000 2.118 317 K HA 0.423 4.743 4.320 0.001 0.000 0.254 317 K C -0.283 176.330 176.600 0.021 0.000 0.961 317 K CA -0.475 55.805 56.287 -0.011 0.000 0.876 317 K CB 1.174 33.660 32.500 -0.025 0.000 1.077 317 K HN 0.553 nan 8.250 nan 0.000 0.440 318 K N -0.325 120.103 120.400 0.047 0.000 2.331 318 K HA 0.806 5.126 4.320 0.001 0.000 0.238 318 K C -0.880 175.777 176.600 0.095 0.000 1.058 318 K CA -0.917 55.429 56.287 0.098 0.000 0.871 318 K CB 2.344 34.939 32.500 0.159 0.000 1.292 318 K HN 0.625 nan 8.250 nan 0.000 0.470 319 T N 0.583 115.228 114.554 0.151 0.000 3.087 319 T HA 0.549 4.899 4.350 0.001 0.000 0.351 319 T C -1.945 172.858 174.700 0.171 0.000 1.520 319 T CA -0.714 61.428 62.100 0.070 0.000 1.111 319 T CB 0.474 69.349 68.868 0.011 0.000 1.353 319 T HN 0.551 nan 8.240 nan 0.000 0.481 320 F N 0.953 120.816 119.950 -0.144 0.000 3.360 320 F HA 0.811 5.339 4.527 0.001 0.000 0.327 320 F C -1.880 173.728 175.800 -0.320 0.000 1.186 320 F CA -1.109 56.700 58.000 -0.318 0.000 0.903 320 F CB 1.211 39.707 39.000 -0.839 0.000 1.533 320 F HN 0.474 nan 8.300 nan 0.000 0.515 321 Q N 1.511 121.242 119.800 -0.115 0.000 2.271 321 Q HA 0.650 4.991 4.340 0.001 0.000 0.268 321 Q C -1.744 174.249 176.000 -0.012 0.000 1.021 321 Q CA -0.936 54.804 55.803 -0.105 0.000 0.802 321 Q CB 3.306 32.034 28.738 -0.018 0.000 1.282 321 Q HN 0.594 nan 8.270 nan 0.000 0.431 322 V N 1.078 120.961 119.914 -0.050 0.000 2.815 322 V HA 0.481 4.601 4.120 0.001 0.000 0.314 322 V C -1.020 175.054 176.094 -0.034 0.000 1.064 322 V CA -0.920 61.381 62.300 0.002 0.000 0.952 322 V CB 2.163 33.989 31.823 0.005 0.000 1.020 322 V HN 0.788 nan 8.190 nan 0.000 0.439 323 D N 0.250 120.632 120.400 -0.030 0.000 2.469 323 D HA 0.427 5.067 4.640 0.001 0.000 0.251 323 D C 0.191 176.436 176.300 -0.090 0.000 1.173 323 D CA -0.450 53.520 54.000 -0.049 0.000 0.882 323 D CB 1.305 42.091 40.800 -0.024 0.000 1.129 323 D HN 0.696 nan 8.370 nan 0.000 0.549 324 T N -0.600 113.877 114.554 -0.128 0.000 2.788 324 T HA 0.280 4.631 4.350 0.001 0.000 0.333 324 T C 0.569 175.063 174.700 -0.343 0.000 1.090 324 T CA -0.597 61.383 62.100 -0.199 0.000 1.094 324 T CB 0.591 69.347 68.868 -0.187 0.000 0.999 324 T HN 0.543 nan 8.240 nan 0.000 0.549 325 A N 2.920 125.426 122.820 -0.524 0.000 2.437 325 A HA 0.487 4.808 4.320 0.001 0.000 0.303 325 A C 0.976 178.029 177.584 -0.885 0.000 1.324 325 A CA -0.292 51.036 52.037 -1.182 0.000 0.983 325 A CB -0.725 17.609 19.000 -1.111 0.000 1.142 325 A HN 1.306 nan 8.150 nan 0.000 0.541 326 S N 2.980 118.258 115.700 -0.703 0.000 2.503 326 S HA 0.302 4.773 4.470 0.001 0.000 0.317 326 S C 0.047 174.563 174.600 -0.139 0.000 1.162 326 S CA -0.552 57.476 58.200 -0.287 0.000 1.124 326 S CB -0.266 62.882 63.200 -0.087 0.000 1.207 326 S HN 0.502 nan 8.310 nan 0.000 0.538 327 V N 5.857 125.685 119.914 -0.144 0.000 2.637 327 V HA 0.224 4.344 4.120 0.001 0.000 0.296 327 V C -1.665 174.446 176.094 0.028 0.000 1.046 327 V CA -1.562 60.738 62.300 -0.001 0.000 1.066 327 V CB -0.082 31.713 31.823 -0.047 0.000 0.968 327 V HN 0.700 nan 8.190 nan 0.000 0.483 328 P HA -0.136 nan 4.420 nan 0.000 0.267 328 P C -0.392 176.933 177.300 0.041 0.000 1.175 328 P CA 0.474 63.628 63.100 0.090 0.000 0.763 328 P CB 0.144 31.915 31.700 0.119 0.000 0.795 329 Y N 2.929 123.047 120.300 -0.303 0.000 2.903 329 Y HA 0.213 4.763 4.550 0.001 0.000 0.387 329 Y C 0.119 175.858 175.900 -0.268 0.000 1.189 329 Y CA -0.847 56.980 58.100 -0.455 0.000 1.856 329 Y CB -0.339 37.523 38.460 -0.997 0.000 1.917 329 Y HN 0.159 nan 8.280 nan 0.000 0.448 330 L N 0.851 122.097 121.223 0.038 0.000 2.469 330 L HA 0.581 4.921 4.340 0.001 0.000 0.253 330 L C 0.083 176.947 176.870 -0.011 0.000 1.143 330 L CA -0.508 54.351 54.840 0.030 0.000 0.804 330 L CB 1.392 43.492 42.059 0.069 0.000 1.214 330 L HN 0.133 nan 8.230 nan 0.000 0.476 331 T N -0.814 113.750 114.554 0.017 0.000 2.889 331 T HA 0.343 4.693 4.350 0.001 0.000 0.315 331 T C -0.741 173.985 174.700 0.044 0.000 1.291 331 T CA -0.894 61.210 62.100 0.007 0.000 1.028 331 T CB 1.804 70.653 68.868 -0.033 0.000 1.235 331 T HN 0.388 nan 8.240 nan 0.000 0.491 332 R N 2.195 122.716 120.500 0.035 0.000 2.316 332 R HA 0.214 4.555 4.340 0.001 0.000 0.314 332 R C -1.742 174.590 176.300 0.054 0.000 1.069 332 R CA -1.629 54.497 56.100 0.044 0.000 0.959 332 R CB 0.406 30.725 30.300 0.031 0.000 0.987 332 R HN 0.388 nan 8.270 nan 0.000 0.446 333 P HA -0.336 nan 4.420 nan 0.000 0.223 333 P C 1.295 178.638 177.300 0.072 0.000 1.073 333 P CA 2.136 65.282 63.100 0.078 0.000 1.008 333 P CB -0.009 31.731 31.700 0.067 0.000 0.760 334 G N -0.510 108.322 108.800 0.054 0.000 2.529 334 G HA2 -0.257 3.703 3.960 0.001 0.000 0.219 334 G HA3 -0.257 3.703 3.960 0.001 0.000 0.219 334 G C 0.742 175.673 174.900 0.053 0.000 1.177 334 G CA 1.398 46.526 45.100 0.047 0.000 0.773 334 G HN 0.537 nan 8.290 nan 0.000 0.573 335 Q N -1.252 118.574 119.800 0.042 0.000 2.171 335 Q HA 0.718 5.059 4.340 0.001 0.000 0.217 335 Q C -1.161 174.855 176.000 0.027 0.000 0.995 335 Q CA -0.885 54.937 55.803 0.031 0.000 0.979 335 Q CB 2.051 30.797 28.738 0.013 0.000 1.152 335 Q HN 0.056 nan 8.270 nan 0.000 0.525 336 V N 0.038 119.951 119.914 -0.003 0.000 2.808 336 V HA 0.483 4.604 4.120 0.001 0.000 0.308 336 V C -1.319 174.737 176.094 -0.062 0.000 1.099 336 V CA -0.784 61.467 62.300 -0.081 0.000 0.920 336 V CB 2.297 34.042 31.823 -0.129 0.000 1.014 336 V HN 0.785 nan 8.190 nan 0.000 0.425 337 R N 4.583 124.995 120.500 -0.148 0.000 2.732 337 R HA 0.887 5.228 4.340 0.001 0.000 0.278 337 R C -1.550 174.742 176.300 -0.014 0.000 0.976 337 R CA -0.714 55.332 56.100 -0.091 0.000 0.963 337 R CB 1.880 32.134 30.300 -0.076 0.000 1.150 337 R HN 0.754 nan 8.270 nan 0.000 0.478 338 Y N -2.064 118.229 120.300 -0.012 0.000 2.638 338 Y HA 0.439 4.990 4.550 0.001 0.000 0.334 338 Y C -2.066 173.881 175.900 0.079 0.000 1.182 338 Y CA -1.459 56.655 58.100 0.024 0.000 1.102 338 Y CB 1.345 39.773 38.460 -0.052 0.000 1.343 338 Y HN 0.466 nan 8.280 nan 0.000 0.463 339 K N 3.435 123.996 120.400 0.268 0.000 2.318 339 K HA 0.759 5.080 4.320 0.001 0.000 0.249 339 K C -1.616 175.174 176.600 0.317 0.000 0.942 339 K CA -0.999 55.406 56.287 0.197 0.000 0.808 339 K CB 2.940 35.487 32.500 0.078 0.000 1.189 339 K HN 0.724 nan 8.250 nan 0.000 0.428 340 L N 2.712 124.093 121.223 0.264 0.000 2.427 340 L HA 0.381 4.722 4.340 0.001 0.000 0.264 340 L C -1.026 175.878 176.870 0.058 0.000 0.989 340 L CA -0.970 53.969 54.840 0.165 0.000 0.865 340 L CB 1.720 43.884 42.059 0.175 0.000 1.209 340 L HN 0.367 nan 8.230 nan 0.000 0.430 341 V N 1.531 121.428 119.914 -0.028 0.000 2.815 341 V HA 0.771 4.891 4.120 0.001 0.000 0.314 341 V C -0.080 175.843 176.094 -0.285 0.000 1.064 341 V CA -0.614 61.591 62.300 -0.159 0.000 0.952 341 V CB 2.033 33.692 31.823 -0.274 0.000 1.020 341 V HN 0.802 nan 8.190 nan 0.000 0.439 342 S N 1.464 116.927 115.700 -0.394 0.000 2.590 342 S HA 0.832 5.303 4.470 0.001 0.000 0.286 342 S C -0.591 173.713 174.600 -0.493 0.000 1.147 342 S CA 0.154 58.011 58.200 -0.571 0.000 0.963 342 S CB 1.307 64.322 63.200 -0.309 0.000 1.124 342 S HN 1.658 nan 8.310 nan 0.000 0.458 343 G N 1.322 109.658 108.800 -0.774 0.000 2.588 343 G HA2 0.808 4.769 3.960 0.001 0.000 0.281 343 G HA3 0.808 4.769 3.960 0.001 0.000 0.281 343 G C -1.097 173.834 174.900 0.051 0.000 1.223 343 G CA -0.151 44.834 45.100 -0.192 0.000 0.871 343 G HN 1.352 nan 8.290 nan 0.000 0.492 344 R N 0.057 120.772 120.500 0.358 0.000 2.480 344 R HA 0.784 5.124 4.340 0.001 0.000 0.306 344 R C 0.398 176.988 176.300 0.484 0.000 0.958 344 R CA 0.008 56.373 56.100 0.441 0.000 0.861 344 R CB 0.452 30.885 30.300 0.222 0.000 1.171 344 R HN 1.291 nan 8.270 nan 0.000 0.445 345 S N 1.487 117.419 115.700 0.387 0.000 2.599 345 S HA -0.006 4.464 4.470 0.001 0.000 0.303 345 S C 0.416 175.146 174.600 0.216 0.000 1.267 345 S CA 0.176 58.525 58.200 0.247 0.000 1.055 345 S CB 0.198 63.353 63.200 -0.074 0.000 0.790 345 S HN 0.667 nan 8.310 nan 0.000 0.500 346 R N 1.593 122.222 120.500 0.214 0.000 2.294 346 R HA 0.488 4.828 4.340 0.001 0.000 0.319 346 R C 0.319 176.585 176.300 -0.057 0.000 0.984 346 R CA 0.305 56.452 56.100 0.078 0.000 0.861 346 R CB 0.397 30.714 30.300 0.029 0.000 1.104 346 R HN 0.973 nan 8.270 nan 0.000 0.451 347 G N 3.184 111.934 108.800 -0.084 0.000 2.815 347 G HA2 -0.256 3.704 3.960 0.001 0.000 0.234 347 G HA3 -0.256 3.704 3.960 0.001 0.000 0.234 347 G C -1.331 173.282 174.900 -0.479 0.000 0.971 347 G CA -0.082 44.888 45.100 -0.217 0.000 1.124 347 G HN 0.589 nan 8.290 nan 0.000 0.435 355 P HA 0.587 nan 4.420 nan 0.000 0.284 355 P C -0.053 177.344 177.300 0.162 0.000 1.253 355 P CA -0.510 62.652 63.100 0.104 0.000 0.800 355 P CB 1.524 33.286 31.700 0.104 0.000 0.961 356 V N 3.086 123.101 119.914 0.169 0.000 3.264 356 V HA 0.577 4.697 4.120 0.001 0.000 0.304 356 V C 0.249 176.539 176.094 0.326 0.000 1.086 356 V CA 0.170 62.601 62.300 0.217 0.000 1.090 356 V CB -0.126 31.762 31.823 0.107 0.000 1.112 356 V HN 0.785 nan 8.190 nan 0.000 0.472 357 F N -0.816 119.147 119.950 0.021 0.000 2.829 357 F HA 0.759 5.286 4.527 0.001 0.000 0.319 357 F C -0.998 174.813 175.800 0.019 0.000 1.153 357 F CA -0.812 57.194 58.000 0.009 0.000 0.912 357 F CB 0.999 39.992 39.000 -0.013 0.000 1.292 357 F HN 0.759 nan 8.300 nan 0.000 0.447 358 A N 1.788 124.536 122.820 -0.121 0.000 2.456 358 A HA 0.687 5.008 4.320 0.001 0.000 0.288 358 A C -1.102 176.489 177.584 0.012 0.000 1.042 358 A CA -0.072 51.831 52.037 -0.224 0.000 0.738 358 A CB 1.430 20.346 19.000 -0.140 0.000 1.266 358 A HN 1.294 nan 8.150 nan 0.000 0.407 359 T N 0.512 115.075 114.554 0.015 0.000 2.926 359 T HA 0.912 5.263 4.350 0.001 0.000 0.289 359 T C -0.066 174.678 174.700 0.073 0.000 1.054 359 T CA 0.103 62.253 62.100 0.084 0.000 1.015 359 T CB 1.808 70.767 68.868 0.151 0.000 1.167 359 T HN 2.271 nan 8.240 nan 0.000 0.526 360 G N 1.567 110.458 108.800 0.152 0.000 2.498 360 G HA2 0.521 4.481 3.960 0.001 0.000 0.301 360 G HA3 0.521 4.481 3.960 0.001 0.000 0.301 360 G C -1.854 173.238 174.900 0.320 0.000 1.577 360 G CA -0.717 44.508 45.100 0.208 0.000 0.868 360 G HN 0.875 nan 8.290 nan 0.000 0.599 361 E N 0.305 120.693 120.200 0.313 0.000 2.343 361 E HA 0.780 5.130 4.350 0.001 0.000 0.278 361 E C -0.599 176.155 176.600 0.256 0.000 0.910 361 E CA -1.035 55.567 56.400 0.336 0.000 0.757 361 E CB 2.354 32.292 29.700 0.397 0.000 1.218 361 E HN 1.334 nan 8.360 nan 0.000 0.435 362 A N 1.316 124.187 122.820 0.085 0.000 2.530 362 A HA 0.842 5.163 4.320 0.001 0.000 0.288 362 A C -1.086 176.173 177.584 -0.542 0.000 1.172 362 A CA -0.527 51.340 52.037 -0.282 0.000 0.733 362 A CB 2.220 20.848 19.000 -0.619 0.000 1.320 362 A HN 0.553 nan 8.150 nan 0.000 0.419 363 S N -0.018 115.155 115.700 -0.878 0.000 2.653 363 S HA 0.514 4.984 4.470 0.001 0.000 0.268 363 S C -1.805 172.510 174.600 -0.474 0.000 1.153 363 S CA -0.394 57.432 58.200 -0.625 0.000 1.036 363 S CB 0.341 62.877 63.200 -1.107 0.000 1.103 363 S HN 0.572 nan 8.310 nan 0.000 0.466 364 W N 3.011 124.313 121.300 0.004 0.000 2.417 364 W HA 0.451 5.112 4.660 0.001 0.000 0.317 364 W C 0.854 177.396 176.519 0.038 0.000 1.121 364 W CA -1.096 56.261 57.345 0.020 0.000 1.208 364 W CB 1.422 30.900 29.460 0.030 0.000 1.253 364 W HN 0.927 nan 8.180 nan 0.000 0.533 365 G N 3.873 112.808 108.800 0.224 0.000 2.439 365 G HA2 0.281 4.242 3.960 0.001 0.000 0.298 365 G HA3 0.281 4.242 3.960 0.001 0.000 0.298 365 G C 0.102 175.120 174.900 0.196 0.000 1.044 365 G CA -0.352 44.849 45.100 0.169 0.000 1.168 365 G HN 0.499 nan 8.290 nan 0.000 0.433 366 L N 2.413 123.758 121.223 0.203 0.000 2.965 366 L HA 0.210 4.551 4.340 0.001 0.000 0.254 366 L C 1.178 178.150 176.870 0.170 0.000 1.220 366 L CA 0.080 55.011 54.840 0.151 0.000 1.023 366 L CB 0.587 42.730 42.059 0.141 0.000 1.355 366 L HN 0.460 nan 8.230 nan 0.000 0.545 367 S N 1.151 116.960 115.700 0.182 0.000 2.416 367 S HA 0.100 4.570 4.470 0.001 0.000 0.302 367 S C 1.409 176.102 174.600 0.155 0.000 1.120 367 S CA -0.612 57.707 58.200 0.199 0.000 1.067 367 S CB 0.197 63.497 63.200 0.168 0.000 1.057 367 S HN 0.432 nan 8.310 nan 0.000 0.518 368 N N 5.062 123.864 118.700 0.171 0.000 2.080 368 N HA -0.156 4.585 4.740 0.001 0.000 0.189 368 N C 0.663 176.270 175.510 0.161 0.000 1.036 368 N CA 1.161 54.298 53.050 0.146 0.000 0.846 368 N CB -0.206 38.369 38.487 0.147 0.000 1.015 368 N HN 0.676 nan 8.380 nan 0.000 0.423 369 Q N -2.552 117.380 119.800 0.220 0.000 2.040 369 Q HA 0.292 4.633 4.340 0.001 0.000 0.212 369 Q C -1.105 174.985 176.000 0.150 0.000 0.766 369 Q CA -0.258 55.657 55.803 0.187 0.000 0.967 369 Q CB 0.042 28.920 28.738 0.233 0.000 1.202 369 Q HN 0.232 nan 8.270 nan 0.000 0.446 370 W N 2.065 123.443 121.300 0.131 0.000 2.424 370 W HA 0.616 5.276 4.660 0.001 0.000 0.318 370 W C -0.316 176.271 176.519 0.113 0.000 1.016 370 W CA -0.411 56.998 57.345 0.106 0.000 1.268 370 W CB 1.670 31.110 29.460 -0.034 0.000 1.297 370 W HN -0.050 nan 8.180 nan 0.000 0.428 371 S N 2.784 118.704 115.700 0.366 0.000 2.704 371 S HA 0.913 5.384 4.470 0.001 0.000 0.305 371 S C -0.985 173.847 174.600 0.387 0.000 1.107 371 S CA -0.943 57.451 58.200 0.323 0.000 0.993 371 S CB 1.527 64.864 63.200 0.227 0.000 1.110 371 S HN 0.346 nan 8.310 nan 0.000 0.534 372 L N -0.949 120.499 121.223 0.374 0.000 2.445 372 L HA 0.863 5.204 4.340 0.001 0.000 0.262 372 L C -1.067 176.081 176.870 0.464 0.000 0.974 372 L CA -1.142 53.904 54.840 0.345 0.000 0.822 372 L CB 0.476 42.653 42.059 0.198 0.000 1.339 372 L HN 0.892 nan 8.230 nan 0.000 0.409 373 Y N -0.718 119.739 120.300 0.262 0.000 2.588 373 Y HA 1.050 5.600 4.550 0.001 0.000 0.343 373 Y C -0.106 175.941 175.900 0.245 0.000 1.065 373 Y CA -0.693 57.533 58.100 0.210 0.000 1.038 373 Y CB 1.792 40.237 38.460 -0.025 0.000 1.297 373 Y HN 1.000 nan 8.280 nan 0.000 0.467 374 G N -0.816 108.221 108.800 0.395 0.000 2.606 374 G HA2 0.714 4.674 3.960 0.001 0.000 0.300 374 G HA3 0.714 4.674 3.960 0.001 0.000 0.300 374 G C -0.920 174.168 174.900 0.313 0.000 1.360 374 G CA -0.485 44.787 45.100 0.286 0.000 0.783 374 G HN 1.692 nan 8.290 nan 0.000 0.484 375 G N -2.191 106.787 108.800 0.297 0.000 2.320 375 G HA2 0.769 4.730 3.960 0.001 0.000 0.297 375 G HA3 0.769 4.730 3.960 0.001 0.000 0.297 375 G C -1.298 173.911 174.900 0.516 0.000 1.344 375 G CA 0.579 45.913 45.100 0.390 0.000 0.851 375 G HN 2.246 nan 8.290 nan 0.000 0.567 376 A N -1.030 122.119 122.820 0.550 0.000 2.577 376 A HA 0.768 5.088 4.320 0.001 0.000 0.297 376 A C -0.913 176.734 177.584 0.103 0.000 1.060 376 A CA -0.357 51.939 52.037 0.432 0.000 0.697 376 A CB 1.479 20.630 19.000 0.253 0.000 1.281 376 A HN 1.797 nan 8.150 nan 0.000 0.402 377 V N 1.968 121.819 119.914 -0.104 0.000 2.546 377 V HA 0.546 4.666 4.120 0.001 0.000 0.284 377 V C -0.244 175.863 176.094 0.021 0.000 1.050 377 V CA -0.106 62.112 62.300 -0.136 0.000 0.981 377 V CB 1.035 32.722 31.823 -0.226 0.000 0.990 377 V HN 0.659 nan 8.190 nan 0.000 0.474 378 L N 4.297 125.575 121.223 0.092 0.000 2.446 378 L HA 0.723 5.063 4.340 0.001 0.000 0.268 378 L C -0.075 176.883 176.870 0.147 0.000 0.975 378 L CA -0.340 54.552 54.840 0.087 0.000 0.848 378 L CB 1.790 43.891 42.059 0.070 0.000 1.225 378 L HN 0.719 nan 8.230 nan 0.000 0.410 379 A N 2.364 125.238 122.820 0.089 0.000 3.106 379 A HA 0.657 4.977 4.320 0.001 0.000 0.227 379 A C 0.719 178.334 177.584 0.052 0.000 0.920 379 A CA 0.182 52.271 52.037 0.087 0.000 1.088 379 A CB 0.234 19.178 19.000 -0.094 0.000 1.233 379 A HN 1.008 nan 8.150 nan 0.000 0.503 380 G N 1.358 110.196 108.800 0.062 0.000 2.601 380 G HA2 -0.453 3.507 3.960 0.001 0.000 0.306 380 G HA3 -0.453 3.507 3.960 0.001 0.000 0.306 380 G C 0.694 175.621 174.900 0.044 0.000 1.172 380 G CA 1.194 46.330 45.100 0.060 0.000 0.966 380 G HN 0.539 nan 8.290 nan 0.000 0.542 381 D N -0.275 120.173 120.400 0.079 0.000 2.182 381 D HA 0.100 4.740 4.640 0.001 0.000 0.201 381 D C 1.076 177.389 176.300 0.020 0.000 0.986 381 D CA 1.630 55.689 54.000 0.099 0.000 0.847 381 D CB 0.019 40.953 40.800 0.223 0.000 0.942 381 D HN 0.467 nan 8.370 nan 0.000 0.467 382 Y N 0.753 120.893 120.300 -0.267 0.000 2.377 382 Y HA 0.388 4.939 4.550 0.001 0.000 0.339 382 Y C -0.843 174.867 175.900 -0.317 0.000 1.011 382 Y CA -0.896 56.907 58.100 -0.494 0.000 1.093 382 Y CB 0.944 38.685 38.460 -1.198 0.000 1.201 382 Y HN -0.225 nan 8.280 nan 0.000 0.455 383 N N 4.027 122.351 118.700 -0.626 0.000 2.308 383 N HA 0.695 5.436 4.740 0.001 0.000 0.283 383 N C -1.843 173.341 175.510 -0.543 0.000 1.105 383 N CA -0.727 52.101 53.050 -0.371 0.000 0.840 383 N CB 2.162 40.543 38.487 -0.176 0.000 1.633 383 N HN 0.664 nan 8.380 nan 0.000 0.476 384 A N 1.294 123.988 122.820 -0.210 0.000 2.454 384 A HA 0.856 5.176 4.320 0.001 0.000 0.302 384 A C -1.438 176.240 177.584 0.158 0.000 1.079 384 A CA -0.501 51.509 52.037 -0.044 0.000 0.731 384 A CB 1.594 20.676 19.000 0.137 0.000 1.299 384 A HN 0.572 nan 8.150 nan 0.000 0.413 385 L N 0.486 121.831 121.223 0.204 0.000 2.455 385 L HA 0.830 5.171 4.340 0.001 0.000 0.264 385 L C -0.236 176.751 176.870 0.194 0.000 0.968 385 L CA 0.014 54.989 54.840 0.225 0.000 0.827 385 L CB 2.159 44.287 42.059 0.115 0.000 1.317 385 L HN 1.193 nan 8.230 nan 0.000 0.407 386 A N 3.138 126.062 122.820 0.172 0.000 2.587 386 A HA 1.018 5.338 4.320 0.001 0.000 0.293 386 A C -1.641 175.961 177.584 0.031 0.000 1.087 386 A CA -0.021 52.039 52.037 0.039 0.000 0.692 386 A CB 2.043 20.985 19.000 -0.096 0.000 1.291 386 A HN 1.068 nan 8.150 nan 0.000 0.407 387 A N 0.070 122.873 122.820 -0.029 0.000 2.547 387 A HA 0.819 5.139 4.320 0.001 0.000 0.298 387 A C -0.298 177.164 177.584 -0.202 0.000 1.062 387 A CA 0.246 52.237 52.037 -0.077 0.000 0.748 387 A CB 0.960 19.953 19.000 -0.012 0.000 1.288 387 A HN 2.437 nan 8.150 nan 0.000 0.396 388 G N -0.395 108.076 108.800 -0.549 0.000 2.708 388 G HA2 0.967 4.927 3.960 0.001 0.000 0.289 388 G HA3 0.967 4.927 3.960 0.001 0.000 0.289 388 G C -0.492 173.978 174.900 -0.717 0.000 1.416 388 G CA 0.230 44.976 45.100 -0.591 0.000 0.829 388 G HN 1.950 nan 8.290 nan 0.000 0.480 389 A N -1.695 121.024 122.820 -0.168 0.000 2.443 389 A HA 1.050 5.371 4.320 0.001 0.000 0.278 389 A C -0.014 177.827 177.584 0.428 0.000 1.252 389 A CA -0.295 51.852 52.037 0.184 0.000 0.816 389 A CB 1.762 20.957 19.000 0.325 0.000 1.369 389 A HN 2.252 nan 8.150 nan 0.000 0.446 390 G N -2.131 106.947 108.800 0.463 0.000 2.733 390 G HA2 0.457 4.417 3.960 0.001 0.000 0.297 390 G HA3 0.457 4.417 3.960 0.001 0.000 0.297 390 G C -2.224 172.739 174.900 0.105 0.000 1.452 390 G CA -0.275 45.009 45.100 0.308 0.000 0.940 390 G HN 1.430 nan 8.290 nan 0.000 0.547 391 W N 1.847 122.911 121.300 -0.393 0.000 2.631 391 W HA 0.588 5.249 4.660 0.001 0.000 0.321 391 W C -0.311 175.953 176.519 -0.425 0.000 1.004 391 W CA -1.235 55.619 57.345 -0.819 0.000 1.291 391 W CB 0.649 29.109 29.460 -1.667 0.000 1.300 391 W HN 0.867 nan 8.180 nan 0.000 0.422 392 D N 4.642 125.011 120.400 -0.051 0.000 2.338 392 D HA 0.246 4.886 4.640 0.001 0.000 0.255 392 D C 0.391 176.590 176.300 -0.167 0.000 1.237 392 D CA -0.238 53.705 54.000 -0.095 0.000 0.883 392 D CB 1.243 42.042 40.800 -0.002 0.000 1.087 392 D HN 0.688 nan 8.370 nan 0.000 0.485 393 L N 1.776 122.802 121.223 -0.329 0.000 2.591 393 L HA 0.402 4.743 4.340 0.001 0.000 0.228 393 L C 2.042 178.830 176.870 -0.136 0.000 1.133 393 L CA 1.125 55.760 54.840 -0.343 0.000 0.880 393 L CB -0.150 41.587 42.059 -0.535 0.000 1.033 393 L HN 0.963 nan 8.230 nan 0.000 0.450 394 G N -0.472 108.277 108.800 -0.085 0.000 2.866 394 G HA2 -0.354 3.607 3.960 0.001 0.000 0.274 394 G HA3 -0.354 3.607 3.960 0.001 0.000 0.274 394 G C 0.620 175.495 174.900 -0.042 0.000 1.413 394 G CA 0.156 45.231 45.100 -0.041 0.000 0.997 394 G HN -0.079 nan 8.290 nan 0.000 0.559 395 V N 2.059 121.951 119.914 -0.037 0.000 2.649 395 V HA 0.079 4.200 4.120 0.001 0.000 0.248 395 V C 0.081 176.157 176.094 -0.032 0.000 1.054 395 V CA 2.295 64.577 62.300 -0.031 0.000 1.073 395 V CB -1.046 30.763 31.823 -0.024 0.000 0.699 395 V HN 0.489 nan 8.190 nan 0.000 0.463 396 P HA 0.242 nan 4.420 nan 0.000 0.237 396 P C 0.755 178.076 177.300 0.035 0.000 1.178 396 P CA 1.515 64.596 63.100 -0.031 0.000 0.766 396 P CB 0.108 31.755 31.700 -0.089 0.000 0.876 397 G N -2.222 106.581 108.800 0.005 0.000 2.250 397 G HA2 0.078 4.039 3.960 0.001 0.000 0.252 397 G HA3 0.078 4.039 3.960 0.001 0.000 0.252 397 G C -1.184 173.717 174.900 0.002 0.000 1.325 397 G CA -0.523 44.624 45.100 0.078 0.000 1.091 397 G HN 0.007 nan 8.290 nan 0.000 0.476 398 T N -0.358 114.244 114.554 0.081 0.000 2.901 398 T HA 0.779 5.130 4.350 0.001 0.000 0.293 398 T C -1.453 173.269 174.700 0.038 0.000 1.084 398 T CA -0.443 61.656 62.100 -0.001 0.000 1.008 398 T CB 2.056 70.946 68.868 0.036 0.000 1.170 398 T HN 1.118 nan 8.240 nan 0.000 0.509 399 L N 1.894 123.094 121.223 -0.038 0.000 2.549 399 L HA 0.723 5.064 4.340 0.001 0.000 0.259 399 L C -0.805 176.113 176.870 0.080 0.000 0.934 399 L CA -0.123 54.708 54.840 -0.015 0.000 0.865 399 L CB 2.113 44.070 42.059 -0.171 0.000 1.352 399 L HN 0.949 nan 8.230 nan 0.000 0.410 400 S N 2.421 118.214 115.700 0.155 0.000 2.671 400 S HA 1.059 5.530 4.470 0.001 0.000 0.277 400 S C -1.387 173.364 174.600 0.253 0.000 1.165 400 S CA -0.005 58.347 58.200 0.253 0.000 0.822 400 S CB 2.162 65.565 63.200 0.339 0.000 1.150 400 S HN 1.628 nan 8.310 nan 0.000 0.479 401 A N 0.950 123.939 122.820 0.283 0.000 2.577 401 A HA 0.752 5.072 4.320 0.001 0.000 0.297 401 A C -1.947 175.753 177.584 0.193 0.000 1.060 401 A CA -0.326 51.858 52.037 0.245 0.000 0.697 401 A CB 1.179 20.317 19.000 0.230 0.000 1.281 401 A HN 1.388 nan 8.150 nan 0.000 0.402 402 D N 0.140 120.649 120.400 0.181 0.000 2.655 402 D HA 0.648 5.288 4.640 0.001 0.000 0.229 402 D C -0.742 175.582 176.300 0.040 0.000 1.229 402 D CA -0.585 53.461 54.000 0.076 0.000 0.807 402 D CB 0.813 41.645 40.800 0.054 0.000 1.514 402 D HN 0.389 nan 8.370 nan 0.000 0.444 403 I N -0.038 120.496 120.570 -0.061 0.000 2.707 403 I HA 0.786 4.956 4.170 0.001 0.000 0.309 403 I C 0.168 176.159 176.117 -0.210 0.000 1.001 403 I CA -0.639 60.496 61.300 -0.274 0.000 1.129 403 I CB 1.161 38.994 38.000 -0.278 0.000 1.308 403 I HN 0.743 nan 8.210 nan 0.000 0.466 404 T N 3.099 117.476 114.554 -0.295 0.000 3.012 404 T HA 0.374 4.724 4.350 0.001 0.000 0.330 404 T C -1.461 173.216 174.700 -0.039 0.000 1.321 404 T CA -0.590 61.456 62.100 -0.091 0.000 1.067 404 T CB 2.104 70.975 68.868 0.006 0.000 1.235 404 T HN 0.745 nan 8.240 nan 0.000 0.479 405 Q N 2.598 122.456 119.800 0.097 0.000 2.337 405 Q HA 0.631 4.971 4.340 0.001 0.000 0.270 405 Q C -0.880 175.176 176.000 0.094 0.000 1.043 405 Q CA -0.675 55.201 55.803 0.122 0.000 0.794 405 Q CB 2.034 30.785 28.738 0.021 0.000 1.281 405 Q HN 0.765 nan 8.270 nan 0.000 0.446 406 S N 1.190 116.929 115.700 0.064 0.000 2.601 406 S HA 0.580 5.050 4.470 0.001 0.000 0.271 406 S C -0.916 173.538 174.600 -0.242 0.000 1.305 406 S CA -0.443 57.602 58.200 -0.258 0.000 1.022 406 S CB 1.298 64.276 63.200 -0.370 0.000 0.940 406 S HN 0.454 nan 8.310 nan 0.000 0.525 407 V N 1.666 121.300 119.914 -0.467 0.000 2.671 407 V HA 0.625 4.746 4.120 0.001 0.000 0.292 407 V C -0.983 174.892 176.094 -0.365 0.000 1.115 407 V CA -0.534 61.593 62.300 -0.287 0.000 0.918 407 V CB 1.473 33.166 31.823 -0.217 0.000 1.036 407 V HN 0.957 nan 8.190 nan 0.000 0.445 408 A N 6.023 128.823 122.820 -0.034 0.000 2.499 408 A HA 0.798 5.119 4.320 0.001 0.000 0.280 408 A C -0.349 177.465 177.584 0.382 0.000 1.135 408 A CA -0.766 51.385 52.037 0.190 0.000 0.744 408 A CB 0.970 20.241 19.000 0.453 0.000 1.213 408 A HN 0.862 nan 8.150 nan 0.000 0.434 409 R N 1.797 122.459 120.500 0.271 0.000 2.428 409 R HA 0.795 5.135 4.340 0.001 0.000 0.294 409 R C -1.101 175.354 176.300 0.258 0.000 1.000 409 R CA -0.570 55.665 56.100 0.225 0.000 0.960 409 R CB 1.089 31.453 30.300 0.106 0.000 1.076 409 R HN 0.466 nan 8.270 nan 0.000 0.475 410 I N 3.066 123.759 120.570 0.206 0.000 2.495 410 I HA 0.129 4.300 4.170 0.001 0.000 0.277 410 I C 0.676 176.829 176.117 0.061 0.000 1.045 410 I CA -0.965 60.410 61.300 0.125 0.000 1.135 410 I CB 1.168 39.252 38.000 0.140 0.000 1.241 410 I HN 0.781 nan 8.210 nan 0.000 0.469 415 T N 1.380 115.782 114.554 -0.253 0.000 2.815 415 T HA 0.586 4.936 4.350 0.001 0.000 0.289 415 T C -0.777 173.849 174.700 -0.123 0.000 1.000 415 T CA -0.569 61.486 62.100 -0.075 0.000 0.958 415 T CB 0.206 69.083 68.868 0.015 0.000 0.944 415 T HN 0.227 nan 8.240 nan 0.000 0.442 416 F N 2.497 122.489 119.950 0.070 0.000 2.389 416 F HA 0.621 5.148 4.527 0.001 0.000 0.337 416 F C 0.800 176.623 175.800 0.038 0.000 1.112 416 F CA -0.708 57.336 58.000 0.073 0.000 1.192 416 F CB 0.977 40.050 39.000 0.122 0.000 1.185 416 F HN 0.548 nan 8.300 nan 0.000 0.552 417 Q N 1.114 121.045 119.800 0.219 0.000 2.379 417 Q HA 0.677 5.017 4.340 0.001 0.000 0.278 417 Q C -1.001 175.103 176.000 0.174 0.000 1.068 417 Q CA -0.718 55.167 55.803 0.137 0.000 0.816 417 Q CB 2.682 31.468 28.738 0.081 0.000 1.387 417 Q HN 0.994 nan 8.270 nan 0.000 0.413 418 G N 2.525 111.432 108.800 0.177 0.000 2.361 418 G HA2 0.285 4.245 3.960 0.001 0.000 0.299 418 G HA3 0.285 4.245 3.960 0.001 0.000 0.299 418 G C -1.947 173.114 174.900 0.268 0.000 1.544 418 G CA -0.632 44.605 45.100 0.229 0.000 0.860 418 G HN 0.646 nan 8.290 nan 0.000 0.610 419 K N -1.142 119.299 120.400 0.067 0.000 2.444 419 K HA 0.873 5.193 4.320 0.001 0.000 0.252 419 K C -0.607 175.557 176.600 -0.726 0.000 0.993 419 K CA -0.744 55.383 56.287 -0.268 0.000 0.847 419 K CB 2.252 34.497 32.500 -0.425 0.000 1.340 419 K HN 1.072 nan 8.250 nan 0.000 0.446 420 S N 0.237 115.340 115.700 -0.994 0.000 2.536 420 S HA 0.552 5.022 4.470 0.001 0.000 0.287 420 S C -0.820 173.411 174.600 -0.615 0.000 1.101 420 S CA -0.956 56.772 58.200 -0.786 0.000 0.950 420 S CB 0.847 63.503 63.200 -0.906 0.000 1.056 420 S HN 0.650 nan 8.310 nan 0.000 0.481 421 W N 1.444 122.745 121.300 0.002 0.000 2.578 421 W HA 0.708 5.368 4.660 0.001 0.000 0.364 421 W C 0.531 177.122 176.519 0.120 0.000 1.144 421 W CA -0.880 56.524 57.345 0.098 0.000 1.242 421 W CB 1.752 31.321 29.460 0.181 0.000 1.382 421 W HN 0.884 nan 8.180 nan 0.000 0.625 422 R N 1.080 121.808 120.500 0.379 0.000 2.579 422 R HA 0.439 4.779 4.340 0.001 0.000 0.260 422 R C -2.254 174.222 176.300 0.294 0.000 1.103 422 R CA -0.622 55.660 56.100 0.304 0.000 0.942 422 R CB 1.205 31.621 30.300 0.193 0.000 1.251 422 R HN 0.577 nan 8.270 nan 0.000 0.450 423 L N 2.617 124.018 121.223 0.297 0.000 2.325 423 L HA 0.532 4.873 4.340 0.001 0.000 0.278 423 L C -0.510 176.465 176.870 0.176 0.000 1.023 423 L CA -0.945 54.030 54.840 0.224 0.000 0.811 423 L CB 2.283 44.457 42.059 0.193 0.000 1.249 423 L HN 0.719 nan 8.230 nan 0.000 0.431 424 S N 2.202 117.988 115.700 0.142 0.000 2.552 424 S HA 0.368 4.838 4.470 0.001 0.000 0.314 424 S C -1.140 173.491 174.600 0.052 0.000 1.099 424 S CA -0.400 57.856 58.200 0.093 0.000 1.070 424 S CB 1.306 64.642 63.200 0.227 0.000 0.998 424 S HN 0.384 nan 8.310 nan 0.000 0.474 425 Y N 3.494 123.586 120.300 -0.345 0.000 2.919 425 Y HA 0.516 5.067 4.550 0.001 0.000 0.341 425 Y C 0.189 175.949 175.900 -0.234 0.000 1.045 425 Y CA -1.415 56.524 58.100 -0.267 0.000 1.218 425 Y CB 0.216 38.528 38.460 -0.247 0.000 1.137 425 Y HN 0.626 nan 8.280 nan 0.000 0.577 426 S N 4.624 120.389 115.700 0.108 0.000 2.632 426 S HA 0.651 5.121 4.470 0.001 0.000 0.267 426 S C -0.685 173.860 174.600 -0.092 0.000 1.276 426 S CA -0.438 57.815 58.200 0.088 0.000 0.998 426 S CB 0.692 63.992 63.200 0.166 0.000 0.953 426 S HN 0.708 nan 8.310 nan 0.000 0.547 427 K N 1.672 122.007 120.400 -0.108 0.000 2.575 427 K HA 0.414 4.734 4.320 0.001 0.000 0.255 427 K C -0.973 175.584 176.600 -0.072 0.000 0.953 427 K CA -0.712 55.510 56.287 -0.109 0.000 0.840 427 K CB 0.911 33.284 32.500 -0.211 0.000 1.303 427 K HN 0.912 nan 8.250 nan 0.000 0.438 437 T N 2.778 117.261 114.554 -0.120 0.000 3.170 437 T HA 0.709 5.059 4.350 0.001 0.000 0.315 437 T C -1.838 172.733 174.700 -0.215 0.000 0.967 437 T CA -0.321 61.677 62.100 -0.170 0.000 1.024 437 T CB 0.436 69.152 68.868 -0.253 0.000 1.018 437 T HN 0.914 nan 8.240 nan 0.000 0.449 438 F N 4.292 124.092 119.950 -0.250 0.000 2.522 438 F HA 0.855 5.383 4.527 0.001 0.000 0.324 438 F C -0.752 174.962 175.800 -0.143 0.000 1.077 438 F CA -0.391 57.480 58.000 -0.216 0.000 0.944 438 F CB 1.692 40.617 39.000 -0.126 0.000 1.175 438 F HN 0.881 nan 8.300 nan 0.000 0.468 439 A N 3.178 125.404 122.820 -0.991 0.000 2.486 439 A HA 0.834 5.154 4.320 0.001 0.000 0.300 439 A C -1.057 176.021 177.584 -0.844 0.000 1.048 439 A CA -0.250 51.420 52.037 -0.612 0.000 0.696 439 A CB 1.368 20.301 19.000 -0.112 0.000 1.278 439 A HN 1.322 nan 8.150 nan 0.000 0.405 440 G N -0.486 108.128 108.800 -0.310 0.000 2.667 440 G HA2 0.591 4.552 3.960 0.001 0.000 0.298 440 G HA3 0.591 4.552 3.960 0.001 0.000 0.298 440 G C -1.997 173.089 174.900 0.310 0.000 1.377 440 G CA -0.426 44.671 45.100 -0.005 0.000 0.964 440 G HN 1.147 nan 8.290 nan 0.000 0.493 441 Y N 1.094 121.514 120.300 0.199 0.000 2.386 441 Y HA 0.731 5.281 4.550 0.001 0.000 0.334 441 Y C -0.328 175.689 175.900 0.195 0.000 1.002 441 Y CA -1.025 57.218 58.100 0.239 0.000 1.068 441 Y CB 1.963 40.536 38.460 0.189 0.000 1.203 441 Y HN 0.638 nan 8.280 nan 0.000 0.443 442 R N 5.656 125.970 120.500 -0.310 0.000 2.534 442 R HA 0.573 4.914 4.340 0.001 0.000 0.301 442 R C -2.304 173.798 176.300 -0.330 0.000 0.961 442 R CA -0.655 55.345 56.100 -0.167 0.000 0.871 442 R CB 1.184 31.430 30.300 -0.091 0.000 1.170 442 R HN 0.615 nan 8.270 nan 0.000 0.446 443 F N 2.561 122.435 119.950 -0.126 0.000 2.518 443 F HA 0.572 5.099 4.527 0.001 0.000 0.323 443 F C -1.294 174.549 175.800 0.072 0.000 1.129 443 F CA -0.281 57.706 58.000 -0.022 0.000 0.920 443 F CB 2.119 41.264 39.000 0.242 0.000 1.160 443 F HN 0.431 nan 8.300 nan 0.000 0.440 444 S N 3.814 119.002 115.700 -0.853 0.000 2.566 444 S HA 0.448 4.918 4.470 0.001 0.000 0.298 444 S C -0.888 173.317 174.600 -0.659 0.000 1.083 444 S CA -0.875 56.894 58.200 -0.719 0.000 0.978 444 S CB 1.890 64.791 63.200 -0.498 0.000 1.073 444 S HN 0.674 nan 8.310 nan 0.000 0.491 445 E N 0.865 120.949 120.200 -0.193 0.000 2.319 445 E HA 0.456 4.807 4.350 0.001 0.000 0.268 445 E C 1.680 178.574 176.600 0.490 0.000 1.050 445 E CA -0.383 56.126 56.400 0.180 0.000 0.878 445 E CB 0.522 30.362 29.700 0.235 0.000 1.066 445 E HN 0.622 nan 8.360 nan 0.000 0.406 446 R N 2.545 123.415 120.500 0.617 0.000 2.261 446 R HA -0.266 4.075 4.340 0.001 0.000 0.241 446 R C 1.109 177.692 176.300 0.471 0.000 1.113 446 R CA 2.531 58.919 56.100 0.479 0.000 0.908 446 R CB -1.503 28.807 30.300 0.016 0.000 0.938 446 R HN 0.610 nan 8.270 nan 0.000 0.427 447 N N -0.582 118.326 118.700 0.347 0.000 2.546 447 N HA 0.135 4.875 4.740 0.001 0.000 0.286 447 N C -1.201 174.495 175.510 0.309 0.000 1.259 447 N CA -0.209 53.051 53.050 0.351 0.000 0.939 447 N CB 0.357 39.084 38.487 0.400 0.000 1.243 447 N HN 0.635 nan 8.380 nan 0.000 0.511 448 Y N 1.037 121.444 120.300 0.179 0.000 2.299 448 Y HA 0.386 4.936 4.550 0.001 0.000 0.326 448 Y C -0.354 175.603 175.900 0.095 0.000 1.164 448 Y CA -0.167 57.994 58.100 0.103 0.000 1.234 448 Y CB 0.747 39.225 38.460 0.031 0.000 1.219 448 Y HN -0.035 nan 8.280 nan 0.000 0.497 449 M N 6.359 125.499 119.600 -0.767 0.000 2.149 449 M HA 0.148 4.629 4.480 0.001 0.000 0.273 449 M C -0.695 175.355 176.300 -0.416 0.000 0.972 449 M CA -0.784 54.285 55.300 -0.385 0.000 0.984 449 M CB 1.870 34.421 32.600 -0.081 0.000 1.699 449 M HN 0.827 nan 8.290 nan 0.000 0.462 450 T N 0.439 114.845 114.554 -0.247 0.000 2.853 450 T HA 0.142 4.492 4.350 0.001 0.000 0.298 450 T C 1.393 175.936 174.700 -0.262 0.000 0.978 450 T CA -0.445 61.609 62.100 -0.076 0.000 1.152 450 T CB 0.871 69.796 68.868 0.095 0.000 0.914 450 T HN 0.785 nan 8.240 nan 0.000 0.539 451 M N 1.124 120.391 119.600 -0.556 0.000 2.164 451 M HA -0.259 4.222 4.480 0.001 0.000 0.251 451 M C 2.138 178.014 176.300 -0.707 0.000 1.087 451 M CA 2.557 57.153 55.300 -1.172 0.000 1.071 451 M CB -0.678 30.915 32.600 -1.678 0.000 1.347 451 M HN 0.976 nan 8.290 nan 0.000 0.399 452 E N 0.280 120.283 120.200 -0.328 0.000 2.038 452 E HA -0.226 4.124 4.350 0.001 0.000 0.195 452 E C 1.739 178.242 176.600 -0.162 0.000 1.000 452 E CA 2.010 58.322 56.400 -0.146 0.000 0.803 452 E CB -0.353 29.371 29.700 0.039 0.000 0.750 452 E HN 0.564 nan 8.360 nan 0.000 0.448 453 Q N -1.097 118.622 119.800 -0.136 0.000 2.112 453 Q HA -0.235 4.106 4.340 0.001 0.000 0.206 453 Q C 2.088 177.958 176.000 -0.218 0.000 0.987 453 Q CA 1.925 57.648 55.803 -0.135 0.000 0.858 453 Q CB -0.417 28.270 28.738 -0.085 0.000 0.905 453 Q HN 0.587 nan 8.270 nan 0.000 0.420 454 Y N 0.199 120.250 120.300 -0.414 0.000 2.509 454 Y HA -0.062 4.488 4.550 0.001 0.000 0.293 454 Y C 1.514 177.152 175.900 -0.437 0.000 1.133 454 Y CA 0.478 58.311 58.100 -0.445 0.000 1.283 454 Y CB 0.183 38.389 38.460 -0.423 0.000 1.001 454 Y HN 0.008 nan 8.280 nan 0.000 0.555 455 L N 0.101 121.140 121.223 -0.306 0.000 2.068 455 L HA -0.149 4.191 4.340 0.001 0.000 0.204 455 L C 1.789 178.393 176.870 -0.444 0.000 1.076 455 L CA 0.905 55.465 54.840 -0.467 0.000 0.753 455 L CB -0.660 41.021 42.059 -0.631 0.000 0.910 455 L HN 0.215 nan 8.230 nan 0.000 0.439 456 N N 0.509 119.036 118.700 -0.289 0.000 2.364 456 N HA -0.117 4.624 4.740 0.001 0.000 0.183 456 N C 1.586 176.906 175.510 -0.317 0.000 1.022 456 N CA 1.274 54.214 53.050 -0.184 0.000 0.883 456 N CB -0.090 38.339 38.487 -0.096 0.000 0.965 456 N HN 0.333 nan 8.380 nan 0.000 0.438 457 A N 1.161 123.659 122.820 -0.537 0.000 1.865 457 A HA 0.013 4.333 4.320 0.001 0.000 0.216 457 A C 2.034 179.191 177.584 -0.713 0.000 1.315 457 A CA 0.598 52.077 52.037 -0.929 0.000 0.605 457 A CB -0.610 17.534 19.000 -1.426 0.000 0.984 457 A HN 0.142 nan 8.150 nan 0.000 0.470 458 R N -2.124 117.911 120.500 -0.775 0.000 2.417 458 R HA -0.156 4.184 4.340 0.001 0.000 0.220 458 R C 0.190 176.080 176.300 -0.682 0.000 1.128 458 R CA 1.464 57.133 56.100 -0.718 0.000 1.048 458 R CB -0.179 29.508 30.300 -1.021 0.000 0.835 458 R HN 0.713 nan 8.270 nan 0.000 0.483 459 Y N -2.920 117.141 120.300 -0.400 0.000 2.563 459 Y HA 0.279 4.830 4.550 0.001 0.000 0.273 459 Y C 1.249 177.067 175.900 -0.137 0.000 1.034 459 Y CA -0.448 57.492 58.100 -0.266 0.000 1.217 459 Y CB 0.793 39.025 38.460 -0.381 0.000 1.380 459 Y HN -0.116 nan 8.280 nan 0.000 0.568 460 R N 0.104 120.588 120.500 -0.027 0.000 2.509 460 R HA 0.238 4.579 4.340 0.001 0.000 0.297 460 R C 0.946 177.233 176.300 -0.021 0.000 0.951 460 R CA 0.677 56.782 56.100 0.009 0.000 1.103 460 R CB 0.047 30.378 30.300 0.052 0.000 1.283 460 R HN 0.270 nan 8.270 nan 0.000 0.534 461 N N 2.037 120.695 118.700 -0.070 0.000 2.754 461 N HA -0.187 4.553 4.740 0.001 0.000 0.248 461 N C -0.577 174.981 175.510 0.079 0.000 1.093 461 N CA 1.281 54.353 53.050 0.037 0.000 0.699 461 N CB -1.942 36.599 38.487 0.090 0.000 1.016 461 N HN 0.259 nan 8.380 nan 0.000 0.552 462 D N -1.204 119.134 120.400 -0.104 0.000 2.381 462 D HA 0.582 5.223 4.640 0.001 0.000 0.235 462 D C -0.247 175.941 176.300 -0.188 0.000 1.068 462 D CA -0.387 53.591 54.000 -0.036 0.000 0.832 462 D CB 0.405 41.179 40.800 -0.044 0.000 1.101 462 D HN 0.412 nan 8.370 nan 0.000 0.515 463 Y N 1.294 121.573 120.300 -0.035 0.000 2.696 463 Y HA 0.159 4.709 4.550 0.001 0.000 0.260 463 Y C 1.400 177.315 175.900 0.025 0.000 1.165 463 Y CA -0.576 57.501 58.100 -0.040 0.000 1.189 463 Y CB 0.008 38.446 38.460 -0.038 0.000 1.180 463 Y HN 0.266 nan 8.280 nan 0.000 0.538 464 S N -1.092 114.696 115.700 0.146 0.000 2.596 464 S HA 0.188 4.658 4.470 0.001 0.000 0.262 464 S C 0.981 175.670 174.600 0.148 0.000 1.218 464 S CA -0.033 58.247 58.200 0.133 0.000 0.998 464 S CB 0.466 63.715 63.200 0.082 0.000 1.060 464 S HN 0.199 nan 8.310 nan 0.000 0.552 465 S N 1.025 116.814 115.700 0.149 0.000 3.378 465 S HA -0.111 4.359 4.470 0.001 0.000 0.365 465 S C -0.249 174.584 174.600 0.389 0.000 0.951 465 S CA 0.277 58.641 58.200 0.273 0.000 1.274 465 S CB -1.242 62.080 63.200 0.204 0.000 0.915 465 S HN 0.594 nan 8.310 nan 0.000 0.513 466 R N 2.401 123.120 120.500 0.365 0.000 2.351 466 R HA 0.171 4.511 4.340 0.001 0.000 0.318 466 R C 0.649 176.928 176.300 -0.035 0.000 1.055 466 R CA 0.057 56.294 56.100 0.228 0.000 0.968 466 R CB 0.031 30.553 30.300 0.369 0.000 0.974 466 R HN 0.588 nan 8.270 nan 0.000 0.439 467 E N 2.195 122.267 120.200 -0.213 0.000 2.289 467 E HA 0.195 4.545 4.350 0.001 0.000 0.278 467 E C 0.683 176.867 176.600 -0.693 0.000 1.032 467 E CA 0.081 56.176 56.400 -0.508 0.000 0.854 467 E CB 1.040 30.560 29.700 -0.300 0.000 1.046 467 E HN 0.629 nan 8.360 nan 0.000 0.409 468 K N 3.098 123.010 120.400 -0.812 0.000 2.506 468 K HA 0.186 4.506 4.320 0.001 0.000 0.237 468 K C 0.434 176.778 176.600 -0.426 0.000 1.276 468 K CA 0.119 55.820 56.287 -0.977 0.000 0.753 468 K CB 0.305 32.028 32.500 -1.294 0.000 1.627 468 K HN 0.484 nan 8.250 nan 0.000 0.397 469 E N 1.468 121.507 120.200 -0.268 0.000 2.255 469 E HA 0.276 4.627 4.350 0.001 0.000 0.245 469 E C -1.211 175.279 176.600 -0.185 0.000 0.909 469 E CA -0.538 55.789 56.400 -0.123 0.000 0.747 469 E CB 1.143 30.880 29.700 0.061 0.000 1.215 469 E HN 0.427 nan 8.360 nan 0.000 0.424 470 M N 3.875 123.302 119.600 -0.288 0.000 2.314 470 M HA 0.298 4.778 4.480 0.001 0.000 0.342 470 M C -1.746 174.536 176.300 -0.031 0.000 1.171 470 M CA -0.495 54.712 55.300 -0.155 0.000 1.098 470 M CB 0.976 33.485 32.600 -0.151 0.000 1.559 470 M HN 0.504 nan 8.290 nan 0.000 0.459 471 Y N 2.559 122.835 120.300 -0.041 0.000 2.323 471 Y HA 0.464 5.015 4.550 0.001 0.000 0.322 471 Y C -1.585 174.371 175.900 0.093 0.000 1.133 471 Y CA -0.564 57.601 58.100 0.109 0.000 1.093 471 Y CB 1.477 40.096 38.460 0.265 0.000 1.203 471 Y HN 0.755 nan 8.280 nan 0.000 0.427 472 T N 5.713 120.135 114.554 -0.220 0.000 2.900 472 T HA 0.813 5.163 4.350 0.001 0.000 0.295 472 T C -1.630 172.948 174.700 -0.203 0.000 1.044 472 T CA -0.433 61.540 62.100 -0.211 0.000 0.995 472 T CB 1.199 70.075 68.868 0.014 0.000 1.072 472 T HN 0.394 nan 8.240 nan 0.000 0.473 473 V N 2.528 122.381 119.914 -0.102 0.000 2.876 473 V HA 0.706 4.826 4.120 0.001 0.000 0.312 473 V C -0.244 175.885 176.094 0.057 0.000 1.085 473 V CA -0.835 61.454 62.300 -0.019 0.000 0.945 473 V CB 2.396 34.188 31.823 -0.053 0.000 1.017 473 V HN 0.946 nan 8.190 nan 0.000 0.428 474 T N 4.508 119.119 114.554 0.095 0.000 2.861 474 T HA 0.767 5.117 4.350 0.001 0.000 0.287 474 T C -0.921 173.780 174.700 0.001 0.000 1.003 474 T CA -0.357 61.765 62.100 0.036 0.000 0.977 474 T CB 1.157 70.043 68.868 0.030 0.000 0.996 474 T HN 0.472 nan 8.240 nan 0.000 0.448 475 L N 3.838 125.047 121.223 -0.023 0.000 2.516 475 L HA 0.467 4.808 4.340 0.001 0.000 0.267 475 L C -1.265 175.597 176.870 -0.013 0.000 0.957 475 L CA -0.886 53.935 54.840 -0.030 0.000 0.860 475 L CB 1.824 43.860 42.059 -0.039 0.000 1.265 475 L HN 0.552 nan 8.230 nan 0.000 0.403 476 N N 3.712 122.400 118.700 -0.020 0.000 2.483 476 N HA 0.388 5.128 4.740 0.001 0.000 0.267 476 N C -1.105 174.405 175.510 -0.001 0.000 0.998 476 N CA -0.579 52.469 53.050 -0.003 0.000 0.918 476 N CB 2.546 41.018 38.487 -0.026 0.000 1.215 476 N HN 0.418 nan 8.380 nan 0.000 0.500 477 K N 1.876 122.303 120.400 0.045 0.000 2.463 477 K HA 0.375 4.695 4.320 0.001 0.000 0.255 477 K C -1.263 175.366 176.600 0.047 0.000 0.942 477 K CA -0.664 55.633 56.287 0.016 0.000 0.814 477 K CB 1.132 33.606 32.500 -0.044 0.000 1.122 477 K HN 0.405 nan 8.250 nan 0.000 0.425 478 N N 3.448 122.144 118.700 -0.007 0.000 2.417 478 N HA 0.213 4.954 4.740 0.001 0.000 0.274 478 N C -0.455 175.033 175.510 -0.038 0.000 0.987 478 N CA -0.550 52.483 53.050 -0.029 0.000 0.912 478 N CB 2.129 40.569 38.487 -0.079 0.000 1.177 478 N HN 0.351 nan 8.380 nan 0.000 0.490 484 T N -1.707 112.851 114.554 0.006 0.000 2.676 484 T HA 0.655 5.005 4.350 0.001 0.000 0.308 484 T C -1.869 172.890 174.700 0.099 0.000 1.740 484 T CA -0.241 61.924 62.100 0.109 0.000 0.982 484 T CB 0.741 69.641 68.868 0.055 0.000 1.724 484 T HN -0.083 nan 8.240 nan 0.000 0.497 485 S N 0.704 116.502 115.700 0.164 0.000 2.540 485 S HA 0.751 5.222 4.470 0.001 0.000 0.275 485 S C -1.691 172.959 174.600 0.083 0.000 1.123 485 S CA -0.529 57.747 58.200 0.127 0.000 0.907 485 S CB 1.440 64.723 63.200 0.138 0.000 1.081 485 S HN 0.589 nan 8.310 nan 0.000 0.476 486 F N 3.167 123.108 119.950 -0.016 0.000 2.710 486 F HA 0.342 4.870 4.527 0.001 0.000 0.345 486 F C -0.176 175.589 175.800 -0.058 0.000 1.362 486 F CA -0.606 57.373 58.000 -0.036 0.000 1.175 486 F CB 0.545 39.522 39.000 -0.039 0.000 1.561 486 F HN 0.527 nan 8.300 nan 0.000 0.593 487 N N 4.087 122.826 118.700 0.065 0.000 2.408 487 N HA 0.287 5.027 4.740 0.001 0.000 0.257 487 N C -1.608 173.890 175.510 -0.020 0.000 1.064 487 N CA -0.175 52.885 53.050 0.016 0.000 0.952 487 N CB 1.027 39.491 38.487 -0.040 0.000 1.093 487 N HN 0.434 nan 8.380 nan 0.000 0.490 488 L N 2.911 124.127 121.223 -0.012 0.000 2.385 488 L HA 0.614 4.955 4.340 0.001 0.000 0.273 488 L C -1.563 175.248 176.870 -0.098 0.000 0.990 488 L CA -0.599 54.188 54.840 -0.088 0.000 0.821 488 L CB 1.668 43.700 42.059 -0.045 0.000 1.279 488 L HN 0.751 nan 8.230 nan 0.000 0.412 489 Q N 4.795 124.509 119.800 -0.144 0.000 2.589 489 Q HA 0.342 4.682 4.340 0.001 0.000 0.245 489 Q C -2.350 173.631 176.000 -0.032 0.000 0.931 489 Q CA -0.292 55.470 55.803 -0.069 0.000 0.730 489 Q CB 0.942 29.647 28.738 -0.055 0.000 1.315 489 Q HN 0.643 nan 8.270 nan 0.000 0.469 490 Y N 1.590 121.808 120.300 -0.137 0.000 2.457 490 Y HA 0.809 5.359 4.550 0.001 0.000 0.333 490 Y C -1.022 174.869 175.900 -0.015 0.000 1.119 490 Y CA -0.702 57.352 58.100 -0.078 0.000 1.143 490 Y CB 2.124 40.537 38.460 -0.079 0.000 1.230 490 Y HN 0.562 nan 8.280 nan 0.000 0.469 491 S N 5.860 120.964 115.700 -0.994 0.000 2.584 491 S HA 0.393 4.863 4.470 0.001 0.000 0.282 491 S C -1.921 172.298 174.600 -0.635 0.000 1.138 491 S CA -0.904 56.906 58.200 -0.651 0.000 0.987 491 S CB 0.536 63.626 63.200 -0.183 0.000 1.137 491 S HN 0.963 nan 8.310 nan 0.000 0.457 492 R N 3.470 123.715 120.500 -0.425 0.000 2.534 492 R HA 0.555 4.895 4.340 0.001 0.000 0.301 492 R C -1.454 174.857 176.300 0.018 0.000 0.961 492 R CA -0.583 55.465 56.100 -0.086 0.000 0.871 492 R CB 1.396 31.791 30.300 0.157 0.000 1.170 492 R HN 0.589 nan 8.270 nan 0.000 0.446 493 Q N 3.101 122.938 119.800 0.061 0.000 2.320 493 Q HA 0.182 4.522 4.340 0.001 0.000 0.268 493 Q C -1.003 175.036 176.000 0.064 0.000 1.023 493 Q CA -0.396 55.399 55.803 -0.013 0.000 0.744 493 Q CB 2.203 30.905 28.738 -0.059 0.000 1.246 493 Q HN 0.847 nan 8.270 nan 0.000 0.462 494 T N 0.703 115.243 114.554 -0.023 0.000 2.817 494 T HA 0.546 4.896 4.350 0.001 0.000 0.293 494 T C -0.208 174.427 174.700 -0.108 0.000 0.964 494 T CA -0.160 61.977 62.100 0.063 0.000 1.085 494 T CB 0.404 69.311 68.868 0.066 0.000 0.921 494 T HN 0.223 nan 8.240 nan 0.000 0.502 495 Y N 1.204 121.504 120.300 0.000 0.000 2.496 495 Y HA 0.430 4.981 4.550 0.001 0.000 0.331 495 Y C 1.047 177.039 175.900 0.153 0.000 1.140 495 Y CA -1.552 56.539 58.100 -0.014 0.000 1.166 495 Y CB 1.149 39.636 38.460 0.045 0.000 1.249 495 Y HN 0.783 nan 8.280 nan 0.000 0.479 496 W N 0.489 121.929 121.300 0.233 0.000 2.380 496 W HA -0.169 4.491 4.660 0.001 0.000 0.317 496 W C 1.358 177.978 176.519 0.170 0.000 1.196 496 W CA 1.213 58.663 57.345 0.176 0.000 1.307 496 W CB 0.192 29.742 29.460 0.149 0.000 1.157 496 W HN 0.682 nan 8.180 nan 0.000 0.483 497 D N -0.676 119.992 120.400 0.447 0.000 2.338 497 D HA 0.034 4.674 4.640 0.001 0.000 0.208 497 D C 0.713 177.127 176.300 0.191 0.000 0.997 497 D CA 0.286 54.450 54.000 0.275 0.000 0.880 497 D CB -0.638 40.304 40.800 0.237 0.000 0.980 497 D HN 0.194 nan 8.370 nan 0.000 0.509 498 I N -1.215 119.464 120.570 0.181 0.000 2.648 498 I HA 0.495 4.666 4.170 0.001 0.000 0.304 498 I C -0.405 175.758 176.117 0.076 0.000 1.009 498 I CA -1.211 60.112 61.300 0.039 0.000 1.114 498 I CB 2.187 40.088 38.000 -0.165 0.000 1.293 498 I HN -0.361 nan 8.210 nan 0.000 0.449 499 R N 3.460 123.983 120.500 0.038 0.000 2.738 499 R HA 0.137 4.477 4.340 0.001 0.000 0.268 499 R C -0.084 176.283 176.300 0.113 0.000 1.062 499 R CA -0.457 55.696 56.100 0.087 0.000 1.158 499 R CB 0.405 30.743 30.300 0.064 0.000 1.046 499 R HN 0.613 nan 8.270 nan 0.000 0.493 500 K N 1.069 121.566 120.400 0.162 0.000 2.561 500 K HA -0.093 4.227 4.320 0.001 0.000 0.280 500 K C -0.712 175.994 176.600 0.176 0.000 0.975 500 K CA 0.737 57.144 56.287 0.200 0.000 1.024 500 K CB 0.597 33.197 32.500 0.165 0.000 0.883 500 K HN 0.391 nan 8.250 nan 0.000 0.496 501 T N 3.150 117.842 114.554 0.231 0.000 2.779 501 T HA 0.150 4.500 4.350 0.001 0.000 0.280 501 T C -1.535 173.267 174.700 0.170 0.000 0.987 501 T CA -0.647 61.571 62.100 0.196 0.000 0.966 501 T CB 0.813 69.840 68.868 0.265 0.000 0.933 501 T HN 0.685 nan 8.240 nan 0.000 0.442 502 D N 3.429 123.927 120.400 0.163 0.000 2.505 502 D HA 0.353 4.993 4.640 0.001 0.000 0.250 502 D C -1.696 174.727 176.300 0.204 0.000 1.164 502 D CA -0.381 53.716 54.000 0.163 0.000 0.870 502 D CB 0.558 41.451 40.800 0.155 0.000 1.160 502 D HN 0.429 nan 8.370 nan 0.000 0.549 503 Y N 4.172 124.491 120.300 0.032 0.000 2.373 503 Y HA 0.508 5.059 4.550 0.001 0.000 0.336 503 Y C -2.026 173.928 175.900 0.090 0.000 0.979 503 Y CA -0.990 57.136 58.100 0.044 0.000 1.080 503 Y CB 1.275 39.757 38.460 0.036 0.000 1.190 503 Y HN 0.440 nan 8.280 nan 0.000 0.446 504 Y N 4.709 124.606 120.300 -0.672 0.000 2.399 504 Y HA 0.507 5.058 4.550 0.001 0.000 0.327 504 Y C -1.546 174.042 175.900 -0.520 0.000 1.111 504 Y CA -0.475 57.477 58.100 -0.246 0.000 1.047 504 Y CB 1.845 40.359 38.460 0.090 0.000 1.259 504 Y HN 0.602 nan 8.280 nan 0.000 0.434 505 T N 6.530 120.829 114.554 -0.424 0.000 3.143 505 T HA 0.657 5.007 4.350 0.001 0.000 0.312 505 T C -2.076 172.420 174.700 -0.341 0.000 0.986 505 T CA -0.368 61.521 62.100 -0.352 0.000 1.024 505 T CB 0.400 69.067 68.868 -0.335 0.000 1.030 505 T HN 0.501 nan 8.240 nan 0.000 0.448 506 V N 4.088 123.840 119.914 -0.270 0.000 2.864 506 V HA 0.899 5.020 4.120 0.001 0.000 0.314 506 V C -0.247 175.749 176.094 -0.164 0.000 1.073 506 V CA -1.033 61.128 62.300 -0.230 0.000 0.956 506 V CB 2.291 33.988 31.823 -0.210 0.000 1.023 506 V HN 1.067 nan 8.190 nan 0.000 0.435 507 S N 1.307 116.899 115.700 -0.180 0.000 2.677 507 S HA 0.769 5.239 4.470 0.001 0.000 0.283 507 S C -1.062 173.374 174.600 -0.273 0.000 1.159 507 S CA -0.738 57.355 58.200 -0.179 0.000 1.001 507 S CB 1.507 64.620 63.200 -0.144 0.000 1.032 507 S HN 0.529 nan 8.310 nan 0.000 0.487 508 V N 3.085 122.816 119.914 -0.305 0.000 2.384 508 V HA 0.572 4.692 4.120 0.001 0.000 0.287 508 V C -0.605 175.345 176.094 -0.240 0.000 1.020 508 V CA -0.685 61.359 62.300 -0.426 0.000 0.850 508 V CB 1.289 32.786 31.823 -0.542 0.000 0.987 508 V HN 0.896 nan 8.190 nan 0.000 0.436 509 N N 3.946 122.541 118.700 -0.174 0.000 2.354 509 N HA 0.541 5.282 4.740 0.001 0.000 0.287 509 N C -0.812 174.642 175.510 -0.094 0.000 1.016 509 N CA -0.620 52.338 53.050 -0.153 0.000 0.871 509 N CB 2.726 41.165 38.487 -0.080 0.000 1.299 509 N HN 0.577 nan 8.380 nan 0.000 0.482 510 R N 1.885 122.225 120.500 -0.266 0.000 2.637 510 R HA 0.369 4.709 4.340 0.001 0.000 0.291 510 R C -0.751 175.325 176.300 -0.374 0.000 0.963 510 R CA -0.532 55.406 56.100 -0.271 0.000 0.901 510 R CB 1.693 31.676 30.300 -0.527 0.000 1.160 510 R HN 0.601 nan 8.270 nan 0.000 0.457 511 Y N 2.053 122.156 120.300 -0.328 0.000 2.480 511 Y HA 0.220 4.771 4.550 0.001 0.000 0.356 511 Y C 0.089 175.920 175.900 -0.115 0.000 0.922 511 Y CA -0.805 57.196 58.100 -0.165 0.000 1.146 511 Y CB 0.073 38.483 38.460 -0.084 0.000 1.185 511 Y HN 0.506 nan 8.280 nan 0.000 0.624 521 A N 1.201 124.060 122.820 0.066 0.000 2.566 521 A HA 0.905 5.225 4.320 0.001 0.000 0.297 521 A C -1.892 175.633 177.584 -0.098 0.000 1.059 521 A CA -0.497 51.474 52.037 -0.111 0.000 0.691 521 A CB 2.040 20.868 19.000 -0.286 0.000 1.282 521 A HN 1.171 nan 8.150 nan 0.000 0.401 522 V N 0.781 120.590 119.914 -0.174 0.000 2.709 522 V HA 0.837 4.957 4.120 0.001 0.000 0.308 522 V C 0.444 176.441 176.094 -0.163 0.000 1.062 522 V CA 0.056 62.305 62.300 -0.085 0.000 0.901 522 V CB 2.288 34.143 31.823 0.053 0.000 1.003 522 V HN 1.525 nan 8.190 nan 0.000 0.425 523 G N 3.557 112.302 108.800 -0.092 0.000 2.626 523 G HA2 0.666 4.627 3.960 0.001 0.000 0.304 523 G HA3 0.666 4.627 3.960 0.001 0.000 0.304 523 G C -1.533 173.358 174.900 -0.015 0.000 1.385 523 G CA -0.468 44.584 45.100 -0.080 0.000 0.957 523 G HN 0.714 nan 8.290 nan 0.000 0.504 524 L N 1.970 123.167 121.223 -0.045 0.000 2.329 524 L HA 0.875 5.216 4.340 0.001 0.000 0.279 524 L C -0.425 176.430 176.870 -0.024 0.000 1.014 524 L CA -0.439 54.391 54.840 -0.016 0.000 0.814 524 L CB 2.003 44.040 42.059 -0.036 0.000 1.257 524 L HN 0.462 nan 8.230 nan 0.000 0.424 525 S N 2.984 118.702 115.700 0.029 0.000 2.546 525 S HA 0.848 5.319 4.470 0.001 0.000 0.272 525 S C -0.994 173.620 174.600 0.025 0.000 1.140 525 S CA -0.454 57.750 58.200 0.006 0.000 0.920 525 S CB 1.900 65.102 63.200 0.004 0.000 1.083 525 S HN 0.879 nan 8.310 nan 0.000 0.476 526 A N 1.821 124.640 122.820 -0.002 0.000 2.386 526 A HA 1.012 5.332 4.320 0.001 0.000 0.308 526 A C -0.394 177.180 177.584 -0.018 0.000 1.128 526 A CA -0.687 51.367 52.037 0.028 0.000 0.789 526 A CB 1.520 20.579 19.000 0.098 0.000 1.325 526 A HN 1.592 nan 8.150 nan 0.000 0.437 527 S N 0.135 115.819 115.700 -0.026 0.000 2.614 527 S HA 0.583 5.053 4.470 0.001 0.000 0.280 527 S C -1.437 173.070 174.600 -0.155 0.000 1.111 527 S CA -0.872 57.235 58.200 -0.155 0.000 0.847 527 S CB 0.999 64.086 63.200 -0.187 0.000 1.079 527 S HN 1.491 nan 8.310 nan 0.000 0.452 528 R N 1.143 121.448 120.500 -0.326 0.000 2.629 528 R HA 0.672 5.012 4.340 0.001 0.000 0.275 528 R C 0.318 176.588 176.300 -0.051 0.000 1.719 528 R CA -0.072 55.931 56.100 -0.162 0.000 1.472 528 R CB 0.434 30.663 30.300 -0.117 0.000 1.237 528 R HN 0.944 nan 8.270 nan 0.000 0.589 535 D N 1.920 122.356 120.400 0.061 0.000 2.506 535 D HA 0.085 4.726 4.640 0.001 0.000 0.234 535 D C -0.081 176.259 176.300 0.066 0.000 1.143 535 D CA 0.462 54.504 54.000 0.070 0.000 0.871 535 D CB 0.770 41.604 40.800 0.058 0.000 1.190 535 D HN 0.578 nan 8.370 nan 0.000 0.459 536 N N 1.111 119.858 118.700 0.078 0.000 2.381 536 N HA 0.309 5.050 4.740 0.001 0.000 0.294 536 N C -1.591 173.946 175.510 0.045 0.000 1.216 536 N CA -0.478 52.614 53.050 0.069 0.000 0.803 536 N CB 1.950 40.494 38.487 0.095 0.000 1.372 536 N HN 0.088 nan 8.380 nan 0.000 0.500 537 D N 0.168 120.592 120.400 0.040 0.000 2.890 537 D HA 0.342 4.983 4.640 0.001 0.000 0.233 537 D C -1.487 174.835 176.300 0.037 0.000 1.306 537 D CA -0.021 53.993 54.000 0.023 0.000 0.929 537 D CB 1.838 42.648 40.800 0.016 0.000 1.512 537 D HN 0.255 nan 8.370 nan 0.000 0.568 538 S N 0.734 116.453 115.700 0.032 0.000 2.473 538 S HA 0.888 5.359 4.470 0.001 0.000 0.307 538 S C -0.726 173.906 174.600 0.052 0.000 1.094 538 S CA -0.581 57.649 58.200 0.049 0.000 1.070 538 S CB 1.610 64.845 63.200 0.059 0.000 1.019 538 S HN 0.498 nan 8.310 nan 0.000 0.480 539 A N 2.852 125.713 122.820 0.067 0.000 2.350 539 A HA 0.813 5.133 4.320 0.001 0.000 0.324 539 A C -1.610 176.037 177.584 0.106 0.000 1.118 539 A CA -0.545 51.540 52.037 0.079 0.000 0.783 539 A CB 0.921 19.967 19.000 0.075 0.000 1.236 539 A HN 0.851 nan 8.150 nan 0.000 0.457 540 Y N 1.933 122.210 120.300 -0.037 0.000 2.362 540 Y HA 0.531 5.081 4.550 0.001 0.000 0.326 540 Y C -1.606 174.267 175.900 -0.044 0.000 1.083 540 Y CA -0.824 57.239 58.100 -0.061 0.000 1.073 540 Y CB 1.769 40.192 38.460 -0.062 0.000 1.211 540 Y HN 0.770 nan 8.280 nan 0.000 0.433 541 L N 7.240 128.301 121.223 -0.269 0.000 2.319 541 L HA 0.672 5.013 4.340 0.001 0.000 0.281 541 L C -1.209 175.516 176.870 -0.241 0.000 1.005 541 L CA -0.369 54.391 54.840 -0.132 0.000 0.828 541 L CB 1.278 43.310 42.059 -0.044 0.000 1.227 541 L HN 0.769 nan 8.230 nan 0.000 0.415 542 R N 4.705 125.174 120.500 -0.051 0.000 2.902 542 R HA 0.843 5.184 4.340 0.001 0.000 0.258 542 R C -1.619 174.694 176.300 0.021 0.000 1.071 542 R CA -0.832 55.262 56.100 -0.011 0.000 1.024 542 R CB 1.671 32.078 30.300 0.178 0.000 1.184 542 R HN 0.830 nan 8.270 nan 0.000 0.492 543 I N 0.702 121.295 120.570 0.038 0.000 2.828 543 I HA 0.342 4.512 4.170 0.001 0.000 0.295 543 I C -1.993 174.151 176.117 0.046 0.000 1.459 543 I CA -0.195 61.135 61.300 0.051 0.000 1.015 543 I CB 2.281 40.335 38.000 0.090 0.000 1.345 543 I HN 0.862 nan 8.210 nan 0.000 0.449 544 S N 5.754 121.473 115.700 0.031 0.000 2.562 544 S HA 0.733 5.204 4.470 0.001 0.000 0.274 544 S C -1.847 172.764 174.600 0.019 0.000 1.160 544 S CA -0.621 57.588 58.200 0.014 0.000 0.933 544 S CB 1.684 64.871 63.200 -0.021 0.000 1.100 544 S HN 0.483 nan 8.310 nan 0.000 0.468 545 V N 3.614 123.539 119.914 0.020 0.000 2.444 545 V HA 0.561 4.682 4.120 0.001 0.000 0.294 545 V C -2.277 173.831 176.094 0.024 0.000 1.022 545 V CA -1.836 60.482 62.300 0.030 0.000 0.850 545 V CB 1.318 33.168 31.823 0.045 0.000 0.992 545 V HN 0.766 nan 8.190 nan 0.000 0.426 546 P HA 0.423 nan 4.420 nan 0.000 0.285 546 P C -0.829 176.510 177.300 0.066 0.000 1.282 546 P CA -0.106 63.013 63.100 0.031 0.000 0.778 546 P CB 0.513 32.236 31.700 0.040 0.000 1.222 552 A N 1.970 124.674 122.820 -0.193 0.000 2.386 552 A HA 1.055 5.375 4.320 0.001 0.000 0.308 552 A C -0.461 177.134 177.584 0.018 0.000 1.128 552 A CA -0.772 51.246 52.037 -0.033 0.000 0.789 552 A CB 1.568 20.710 19.000 0.238 0.000 1.325 552 A HN 1.622 nan 8.150 nan 0.000 0.437 553 S N -0.824 114.915 115.700 0.065 0.000 2.558 553 S HA 0.570 5.041 4.470 0.001 0.000 0.277 553 S C -1.195 173.483 174.600 0.130 0.000 1.143 553 S CA -0.570 57.674 58.200 0.073 0.000 0.865 553 S CB 0.525 63.736 63.200 0.019 0.000 1.102 553 S HN 1.293 nan 8.310 nan 0.000 0.454 554 Y N 1.064 121.364 120.300 0.000 0.000 2.631 554 Y HA 0.851 5.401 4.550 0.001 0.000 0.328 554 Y C -0.128 175.747 175.900 -0.041 0.000 1.118 554 Y CA -0.132 57.962 58.100 -0.009 0.000 1.206 554 Y CB 2.030 40.487 38.460 -0.005 0.000 1.337 554 Y HN 0.998 nan 8.280 nan 0.000 0.515 555 S N -0.435 114.845 115.700 -0.701 0.000 2.727 555 S HA 0.831 5.301 4.470 0.001 0.000 0.278 555 S C -1.257 172.959 174.600 -0.641 0.000 1.186 555 S CA -0.377 57.511 58.200 -0.521 0.000 0.836 555 S CB 1.677 64.624 63.200 -0.423 0.000 1.186 555 S HN 1.127 nan 8.310 nan 0.000 0.499 556 G N 0.225 108.665 108.800 -0.601 0.000 2.733 556 G HA2 0.568 4.528 3.960 0.001 0.000 0.297 556 G HA3 0.568 4.528 3.960 0.001 0.000 0.297 556 G C -1.742 172.722 174.900 -0.727 0.000 1.452 556 G CA -0.238 44.572 45.100 -0.483 0.000 0.940 556 G HN 0.598 nan 8.290 nan 0.000 0.547 557 S N -0.599 114.567 115.700 -0.890 0.000 2.649 557 S HA 0.715 5.185 4.470 0.001 0.000 0.274 557 S C 0.290 174.449 174.600 -0.735 0.000 1.176 557 S CA 0.220 58.053 58.200 -0.612 0.000 0.988 557 S CB 0.622 63.639 63.200 -0.305 0.000 1.071 557 S HN 1.657 nan 8.310 nan 0.000 0.478 558 M N 2.135 121.551 119.600 -0.306 0.000 2.444 558 M HA 0.944 5.424 4.480 0.001 0.000 0.319 558 M C 0.385 176.683 176.300 -0.004 0.000 1.183 558 M CA -0.344 54.911 55.300 -0.074 0.000 1.032 558 M CB 1.044 33.717 32.600 0.122 0.000 1.569 558 M HN 0.724 nan 8.290 nan 0.000 0.468 563 Y N 2.560 122.873 120.300 0.021 0.000 2.316 563 Y HA 0.627 5.177 4.550 0.001 0.000 0.324 563 Y C -0.558 175.345 175.900 0.005 0.000 1.267 563 Y CA 0.166 58.273 58.100 0.011 0.000 1.311 563 Y CB 1.566 40.029 38.460 0.006 0.000 1.267 563 Y HN 0.188 nan 8.280 nan 0.000 0.516 564 V N 4.802 124.504 119.914 -0.353 0.000 2.752 564 V HA 0.281 4.401 4.120 0.001 0.000 0.302 564 V C -1.323 174.627 176.094 -0.240 0.000 1.133 564 V CA -1.287 60.904 62.300 -0.183 0.000 0.919 564 V CB 1.874 33.604 31.823 -0.155 0.000 1.026 564 V HN 0.830 nan 8.190 nan 0.000 0.429 565 N N 5.642 124.288 118.700 -0.089 0.000 2.296 565 N HA 0.782 5.522 4.740 0.001 0.000 0.294 565 N C -1.360 174.019 175.510 -0.217 0.000 1.033 565 N CA -0.725 52.224 53.050 -0.169 0.000 0.839 565 N CB 2.409 40.923 38.487 0.046 0.000 1.395 565 N HN 0.447 nan 8.380 nan 0.000 0.479 566 M N 1.317 120.662 119.600 -0.426 0.000 2.575 566 M HA 0.626 5.106 4.480 0.001 0.000 0.284 566 M C -1.102 174.989 176.300 -0.348 0.000 1.253 566 M CA -0.599 54.539 55.300 -0.269 0.000 0.861 566 M CB 2.293 34.790 32.600 -0.171 0.000 1.733 566 M HN 0.590 nan 8.290 nan 0.000 0.462 567 A N 0.501 123.277 122.820 -0.072 0.000 2.485 567 A HA 1.080 5.401 4.320 0.001 0.000 0.292 567 A C -0.463 177.158 177.584 0.062 0.000 1.147 567 A CA -0.143 51.925 52.037 0.052 0.000 0.750 567 A CB 2.285 21.429 19.000 0.240 0.000 1.331 567 A HN 1.026 nan 8.150 nan 0.000 0.419 568 G N -1.615 107.243 108.800 0.096 0.000 2.441 568 G HA2 0.514 4.475 3.960 0.001 0.000 0.294 568 G HA3 0.514 4.475 3.960 0.001 0.000 0.294 568 G C -2.241 172.759 174.900 0.166 0.000 1.393 568 G CA -0.358 44.810 45.100 0.112 0.000 0.796 568 G HN 1.330 nan 8.290 nan 0.000 0.494 569 Y N -0.088 120.237 120.300 0.041 0.000 2.512 569 Y HA 0.739 5.289 4.550 0.001 0.000 0.348 569 Y C -0.256 175.677 175.900 0.055 0.000 0.990 569 Y CA -0.283 57.850 58.100 0.056 0.000 1.033 569 Y CB 2.763 41.268 38.460 0.074 0.000 1.259 569 Y HN 0.810 nan 8.280 nan 0.000 0.461 570 T N 3.994 118.300 114.554 -0.412 0.000 2.881 570 T HA 0.440 4.790 4.350 0.001 0.000 0.291 570 T C -1.266 173.343 174.700 -0.151 0.000 0.990 570 T CA -0.763 61.244 62.100 -0.156 0.000 0.976 570 T CB 0.722 69.507 68.868 -0.139 0.000 0.970 570 T HN 0.589 nan 8.240 nan 0.000 0.438 571 D N 2.031 122.562 120.400 0.218 0.000 2.432 571 D HA 0.681 5.321 4.640 0.001 0.000 0.258 571 D C -0.222 176.195 176.300 0.194 0.000 1.146 571 D CA 0.050 54.248 54.000 0.331 0.000 1.015 571 D CB 1.799 42.956 40.800 0.596 0.000 1.107 571 D HN 0.664 nan 8.370 nan 0.000 0.529 572 T N -0.117 114.561 114.554 0.207 0.000 3.393 572 T HA 0.520 4.871 4.350 0.001 0.000 0.359 572 T C -2.002 172.723 174.700 0.042 0.000 1.380 572 T CA -0.688 61.335 62.100 -0.129 0.000 1.132 572 T CB -0.070 68.749 68.868 -0.082 0.000 1.284 572 T HN 0.319 nan 8.240 nan 0.000 0.477 573 F N 2.983 122.989 119.950 0.093 0.000 3.397 573 F HA 0.628 5.155 4.527 0.001 0.000 0.406 573 F C -0.788 175.066 175.800 0.091 0.000 1.166 573 F CA -0.897 57.158 58.000 0.092 0.000 1.322 573 F CB -0.100 38.965 39.000 0.108 0.000 2.322 573 F HN 0.588 nan 8.300 nan 0.000 0.709 579 S N 1.308 116.593 115.700 -0.692 0.000 2.615 579 S HA 0.769 5.239 4.470 0.001 0.000 0.268 579 S C -1.989 172.565 174.600 -0.077 0.000 1.146 579 S CA -0.869 56.997 58.200 -0.556 0.000 0.818 579 S CB 1.563 64.593 63.200 -0.283 0.000 1.111 579 S HN 0.633 nan 8.310 nan 0.000 0.465 580 Y N 0.847 121.175 120.300 0.048 0.000 2.314 580 Y HA 0.550 5.101 4.550 0.001 0.000 0.317 580 Y C -1.466 174.592 175.900 0.262 0.000 1.234 580 Y CA -0.069 58.210 58.100 0.299 0.000 1.111 580 Y CB 1.353 40.158 38.460 0.575 0.000 1.283 580 Y HN 1.172 nan 8.280 nan 0.000 0.418 581 S N 6.028 121.592 115.700 -0.226 0.000 2.548 581 S HA 0.874 5.345 4.470 0.001 0.000 0.286 581 S C -1.426 173.041 174.600 -0.222 0.000 1.098 581 S CA -0.951 57.169 58.200 -0.132 0.000 0.930 581 S CB 2.336 65.498 63.200 -0.063 0.000 1.070 581 S HN 0.640 nan 8.310 nan 0.000 0.480 582 L N 1.976 123.167 121.223 -0.053 0.000 2.354 582 L HA 0.679 5.020 4.340 0.001 0.000 0.269 582 L C -0.737 176.158 176.870 0.043 0.000 1.005 582 L CA -0.794 54.039 54.840 -0.011 0.000 0.819 582 L CB 1.701 43.801 42.059 0.068 0.000 1.311 582 L HN 0.635 nan 8.230 nan 0.000 0.423 583 N N 1.409 120.132 118.700 0.038 0.000 2.324 583 N HA 0.706 5.446 4.740 0.001 0.000 0.285 583 N C -1.401 174.129 175.510 0.034 0.000 1.076 583 N CA -0.498 52.575 53.050 0.038 0.000 0.864 583 N CB 2.634 41.132 38.487 0.018 0.000 1.632 583 N HN 0.668 nan 8.380 nan 0.000 0.478 584 A N 0.288 123.128 122.820 0.034 0.000 2.380 584 A HA 1.010 5.330 4.320 0.001 0.000 0.315 584 A C 0.121 177.714 177.584 0.014 0.000 1.101 584 A CA -0.260 51.793 52.037 0.027 0.000 0.771 584 A CB 1.741 20.764 19.000 0.039 0.000 1.287 584 A HN 0.808 nan 8.150 nan 0.000 0.436 585 G N -0.611 108.193 108.800 0.007 0.000 2.341 585 G HA2 0.493 4.453 3.960 0.001 0.000 0.299 585 G HA3 0.493 4.453 3.960 0.001 0.000 0.299 585 G C -2.144 172.758 174.900 0.004 0.000 1.274 585 G CA -0.433 44.666 45.100 -0.001 0.000 0.853 585 G HN 1.220 nan 8.290 nan 0.000 0.493 586 L N 1.613 122.840 121.223 0.007 0.000 2.381 586 L HA 0.584 4.925 4.340 0.001 0.000 0.274 586 L C -1.138 175.746 176.870 0.023 0.000 0.988 586 L CA -0.774 54.078 54.840 0.020 0.000 0.824 586 L CB 1.509 43.591 42.059 0.040 0.000 1.263 586 L HN 0.689 nan 8.230 nan 0.000 0.410 587 N N 2.620 121.332 118.700 0.020 0.000 2.417 587 N HA 0.572 5.312 4.740 0.001 0.000 0.300 587 N C -0.903 174.634 175.510 0.045 0.000 1.102 587 N CA 0.035 53.104 53.050 0.031 0.000 0.886 587 N CB 2.057 40.560 38.487 0.027 0.000 1.203 587 N HN 0.775 nan 8.380 nan 0.000 0.496 595 Q N 2.333 122.141 119.800 0.014 0.000 2.275 595 Q HA 0.458 4.799 4.340 0.001 0.000 0.258 595 Q C -0.455 175.539 176.000 -0.009 0.000 0.960 595 Q CA -1.165 54.636 55.803 -0.003 0.000 0.801 595 Q CB 1.650 30.381 28.738 -0.011 0.000 1.302 595 Q HN 0.720 nan 8.270 nan 0.000 0.433 596 R N 1.412 121.904 120.500 -0.013 0.000 2.811 596 R HA 0.141 4.481 4.340 0.001 0.000 0.265 596 R C -0.607 175.672 176.300 -0.034 0.000 1.026 596 R CA -0.097 55.995 56.100 -0.013 0.000 1.142 596 R CB 0.626 30.921 30.300 -0.008 0.000 1.027 596 R HN 0.763 nan 8.270 nan 0.000 0.465 597 Q N 1.258 121.042 119.800 -0.026 0.000 2.305 597 Q HA 0.536 4.877 4.340 0.001 0.000 0.271 597 Q C -1.554 174.436 176.000 -0.017 0.000 1.046 597 Q CA -0.624 55.157 55.803 -0.036 0.000 0.798 597 Q CB 1.953 30.679 28.738 -0.021 0.000 1.286 597 Q HN 0.671 nan 8.270 nan 0.000 0.435 598 I N 3.064 123.623 120.570 -0.019 0.000 2.619 598 I HA 0.500 4.671 4.170 0.001 0.000 0.292 598 I C -1.188 174.947 176.117 0.031 0.000 1.100 598 I CA -0.700 60.605 61.300 0.008 0.000 1.043 598 I CB 2.205 40.210 38.000 0.008 0.000 1.239 598 I HN 0.638 nan 8.210 nan 0.000 0.420 599 N N 4.804 123.532 118.700 0.047 0.000 2.493 599 N HA 0.655 5.396 4.740 0.001 0.000 0.279 599 N C -2.022 173.526 175.510 0.064 0.000 1.082 599 N CA -0.268 52.824 53.050 0.071 0.000 0.963 599 N CB 2.451 40.981 38.487 0.071 0.000 1.627 599 N HN 0.665 nan 8.380 nan 0.000 0.499 600 A N 3.185 126.053 122.820 0.081 0.000 2.398 600 A HA 0.548 4.869 4.320 0.001 0.000 0.301 600 A C -2.191 175.437 177.584 0.075 0.000 1.041 600 A CA -0.463 51.586 52.037 0.018 0.000 0.711 600 A CB 1.108 20.118 19.000 0.017 0.000 1.240 600 A HN 0.674 nan 8.150 nan 0.000 0.420 601 Y N 1.619 121.832 120.300 -0.144 0.000 2.425 601 Y HA 0.618 5.168 4.550 0.001 0.000 0.344 601 Y C -1.497 174.430 175.900 0.046 0.000 0.969 601 Y CA -0.790 57.297 58.100 -0.023 0.000 1.052 601 Y CB 1.868 40.302 38.460 -0.044 0.000 1.215 601 Y HN 0.762 nan 8.280 nan 0.000 0.451 602 Y N 5.130 125.433 120.300 0.006 0.000 2.391 602 Y HA 0.630 5.181 4.550 0.001 0.000 0.341 602 Y C -1.198 174.779 175.900 0.127 0.000 0.965 602 Y CA -0.578 57.667 58.100 0.241 0.000 1.067 602 Y CB 1.649 40.326 38.460 0.361 0.000 1.199 602 Y HN 0.569 nan 8.280 nan 0.000 0.450 603 S N 4.475 119.743 115.700 -0.721 0.000 2.541 603 S HA 0.513 4.984 4.470 0.001 0.000 0.280 603 S C -1.989 172.207 174.600 -0.673 0.000 1.112 603 S CA -0.629 57.259 58.200 -0.521 0.000 0.925 603 S CB 1.433 64.597 63.200 -0.061 0.000 1.067 603 S HN 0.951 nan 8.310 nan 0.000 0.479 604 H N 1.332 120.173 119.070 -0.382 0.000 2.589 604 H HA 0.636 5.192 4.556 0.001 0.000 0.351 604 H C -0.257 175.044 175.328 -0.046 0.000 1.074 604 H CA -0.650 55.311 56.048 -0.145 0.000 1.203 604 H CB 1.444 31.264 29.762 0.097 0.000 1.558 604 H HN 0.737 nan 8.280 nan 0.000 0.522 605 R N 3.286 123.377 120.500 -0.680 0.000 2.700 605 R HA 0.160 4.500 4.340 0.001 0.000 0.399 605 R C -0.022 176.028 176.300 -0.417 0.000 1.115 605 R CA -0.253 55.601 56.100 -0.410 0.000 1.058 605 R CB 0.649 30.813 30.300 -0.226 0.000 1.389 605 R HN 0.576 nan 8.270 nan 0.000 0.582 606 S N 1.683 116.982 115.700 -0.668 0.000 2.537 606 S HA -0.005 4.466 4.470 0.001 0.000 0.280 606 S C -0.891 173.659 174.600 -0.084 0.000 1.335 606 S CA -0.879 57.196 58.200 -0.208 0.000 1.025 606 S CB 0.575 63.840 63.200 0.109 0.000 0.836 606 S HN 0.180 nan 8.310 nan 0.000 0.523 607 P HA 0.004 nan 4.420 nan 0.000 0.226 607 P C 0.777 178.073 177.300 -0.007 0.000 1.153 607 P CA 0.980 64.070 63.100 -0.018 0.000 0.777 607 P CB -0.282 31.418 31.700 -0.001 0.000 0.794 608 L N -5.428 115.805 121.223 0.016 0.000 3.519 608 L HA 0.810 5.151 4.340 0.001 0.000 0.323 608 L C -0.230 176.664 176.870 0.039 0.000 1.289 608 L CA -0.511 54.338 54.840 0.015 0.000 1.039 608 L CB 0.473 42.553 42.059 0.034 0.000 1.438 608 L HN -0.232 nan 8.230 nan 0.000 0.619 609 A N 0.630 123.490 122.820 0.067 0.000 2.599 609 A HA 0.589 4.910 4.320 0.001 0.000 0.300 609 A C -1.335 176.357 177.584 0.180 0.000 1.151 609 A CA -0.488 51.639 52.037 0.149 0.000 0.883 609 A CB 0.132 19.268 19.000 0.227 0.000 1.480 609 A HN 0.296 nan 8.150 nan 0.000 0.401 610 N N 0.450 119.212 118.700 0.104 0.000 2.434 610 N HA 0.857 5.598 4.740 0.001 0.000 0.266 610 N C -0.463 175.169 175.510 0.204 0.000 1.223 610 N CA -0.302 52.814 53.050 0.109 0.000 0.972 610 N CB 1.504 39.998 38.487 0.012 0.000 1.207 610 N HN 0.864 nan 8.380 nan 0.000 0.525 611 L N -1.091 120.252 121.223 0.200 0.000 2.700 611 L HA 0.574 4.915 4.340 0.001 0.000 0.255 611 L C -1.391 175.576 176.870 0.162 0.000 0.933 611 L CA -0.325 54.634 54.840 0.199 0.000 0.920 611 L CB 1.167 43.380 42.059 0.256 0.000 1.472 611 L HN 0.807 nan 8.230 nan 0.000 0.426 612 S N 2.755 118.511 115.700 0.094 0.000 2.720 612 S HA 1.043 5.514 4.470 0.001 0.000 0.287 612 S C -0.976 173.600 174.600 -0.039 0.000 1.168 612 S CA -0.197 58.014 58.200 0.019 0.000 0.832 612 S CB 2.099 65.229 63.200 -0.116 0.000 1.166 612 S HN 1.757 nan 8.310 nan 0.000 0.493 613 A N 1.167 123.884 122.820 -0.172 0.000 2.512 613 A HA 0.719 5.040 4.320 0.001 0.000 0.294 613 A C -1.068 176.340 177.584 -0.294 0.000 1.054 613 A CA -0.542 51.384 52.037 -0.185 0.000 0.756 613 A CB 0.522 19.565 19.000 0.072 0.000 1.293 613 A HN 1.302 nan 8.150 nan 0.000 0.395 614 N N 1.651 120.164 118.700 -0.312 0.000 2.225 614 N HA 0.732 5.473 4.740 0.001 0.000 0.298 614 N C -1.257 174.290 175.510 0.062 0.000 1.076 614 N CA -0.692 52.272 53.050 -0.144 0.000 0.792 614 N CB 1.504 39.906 38.487 -0.142 0.000 1.498 614 N HN 0.409 nan 8.380 nan 0.000 0.474 615 I N 1.397 122.074 120.570 0.179 0.000 2.474 615 I HA 0.664 4.835 4.170 0.001 0.000 0.294 615 I C -0.646 175.574 176.117 0.171 0.000 1.005 615 I CA -0.619 60.833 61.300 0.252 0.000 1.113 615 I CB 1.278 39.435 38.000 0.262 0.000 1.289 615 I HN 0.891 nan 8.210 nan 0.000 0.436 616 A N 4.489 127.414 122.820 0.175 0.000 2.455 616 A HA 0.738 5.058 4.320 0.001 0.000 0.300 616 A C -0.841 176.814 177.584 0.119 0.000 1.040 616 A CA -0.524 51.611 52.037 0.162 0.000 0.697 616 A CB 1.826 20.965 19.000 0.233 0.000 1.265 616 A HN 0.638 nan 8.150 nan 0.000 0.407 617 S N 2.821 118.519 115.700 -0.003 0.000 2.603 617 S HA 0.616 5.086 4.470 0.001 0.000 0.274 617 S C -1.254 173.153 174.600 -0.321 0.000 1.168 617 S CA -0.508 57.595 58.200 -0.163 0.000 0.963 617 S CB 0.717 63.874 63.200 -0.073 0.000 1.078 617 S HN 0.896 nan 8.310 nan 0.000 0.477 618 L N 3.623 124.430 121.223 -0.693 0.000 2.352 618 L HA 0.563 4.904 4.340 0.001 0.000 0.269 618 L C 0.295 176.975 176.870 -0.316 0.000 1.034 618 L CA -0.737 53.782 54.840 -0.535 0.000 0.806 618 L CB 1.836 43.416 42.059 -0.800 0.000 1.244 618 L HN 0.826 nan 8.230 nan 0.000 0.447 619 Q N 2.242 121.940 119.800 -0.170 0.000 2.260 619 Q HA 0.344 4.684 4.340 0.001 0.000 0.242 619 Q C -0.024 175.936 176.000 -0.066 0.000 0.932 619 Q CA 0.411 56.156 55.803 -0.097 0.000 0.891 619 Q CB 1.280 29.984 28.738 -0.055 0.000 1.222 619 Q HN 0.668 nan 8.270 nan 0.000 0.453 623 T N 0.617 115.306 114.554 0.226 0.000 2.991 623 T HA 0.740 5.090 4.350 0.001 0.000 0.303 623 T C -1.086 173.766 174.700 0.253 0.000 1.015 623 T CA 0.067 62.270 62.100 0.172 0.000 1.007 623 T CB 1.101 70.004 68.868 0.059 0.000 1.034 623 T HN 1.641 nan 8.240 nan 0.000 0.446 624 S N 3.470 119.340 115.700 0.282 0.000 2.566 624 S HA 0.861 5.331 4.470 0.001 0.000 0.298 624 S C -1.158 173.591 174.600 0.248 0.000 1.083 624 S CA -0.888 57.439 58.200 0.212 0.000 0.978 624 S CB 1.697 64.982 63.200 0.143 0.000 1.073 624 S HN 0.848 nan 8.310 nan 0.000 0.491 625 F N 0.918 120.901 119.950 0.055 0.000 2.532 625 F HA 0.817 5.345 4.527 0.001 0.000 0.321 625 F C 0.013 175.834 175.800 0.035 0.000 1.089 625 F CA -0.263 57.763 58.000 0.044 0.000 0.926 625 F CB 1.729 40.753 39.000 0.040 0.000 1.168 625 F HN 1.015 nan 8.300 nan 0.000 0.459 626 G N 3.408 111.731 108.800 -0.795 0.000 2.620 626 G HA2 0.643 4.604 3.960 0.001 0.000 0.301 626 G HA3 0.643 4.604 3.960 0.001 0.000 0.301 626 G C -2.424 172.047 174.900 -0.714 0.000 1.347 626 G CA -0.882 43.864 45.100 -0.590 0.000 0.971 626 G HN 0.704 nan 8.290 nan 0.000 0.488 627 V N 0.473 120.143 119.914 -0.407 0.000 2.711 627 V HA 0.638 4.759 4.120 0.001 0.000 0.304 627 V C -0.453 175.578 176.094 -0.106 0.000 1.097 627 V CA -0.726 61.423 62.300 -0.252 0.000 0.906 627 V CB 2.166 33.874 31.823 -0.191 0.000 1.015 627 V HN 0.791 nan 8.190 nan 0.000 0.427 628 S N 3.079 118.737 115.700 -0.069 0.000 2.502 628 S HA 0.887 5.357 4.470 0.001 0.000 0.304 628 S C -0.279 174.349 174.600 0.047 0.000 1.097 628 S CA -0.313 57.874 58.200 -0.021 0.000 1.045 628 S CB 1.788 64.955 63.200 -0.054 0.000 1.019 628 S HN 1.111 nan 8.310 nan 0.000 0.481 629 A N 2.419 125.304 122.820 0.108 0.000 2.365 629 A HA 0.941 5.262 4.320 0.001 0.000 0.318 629 A C -0.370 177.385 177.584 0.284 0.000 1.091 629 A CA -0.751 51.419 52.037 0.223 0.000 0.763 629 A CB 1.330 20.482 19.000 0.253 0.000 1.248 629 A HN 1.076 nan 8.150 nan 0.000 0.442 630 S N 0.213 116.042 115.700 0.215 0.000 2.567 630 S HA 0.936 5.407 4.470 0.001 0.000 0.270 630 S C -0.313 173.968 174.600 -0.533 0.000 1.152 630 S CA 0.014 58.072 58.200 -0.236 0.000 0.835 630 S CB 1.127 64.213 63.200 -0.189 0.000 1.115 630 S HN 2.720 nan 8.310 nan 0.000 0.459 631 G N -0.258 107.895 108.800 -1.077 0.000 2.359 631 G HA2 0.516 4.476 3.960 0.001 0.000 0.293 631 G HA3 0.516 4.476 3.960 0.001 0.000 0.293 631 G C -0.235 174.355 174.900 -0.517 0.000 1.300 631 G CA -0.215 44.541 45.100 -0.572 0.000 0.888 631 G HN 1.484 nan 8.290 nan 0.000 0.541 632 G N -1.215 107.507 108.800 -0.130 0.000 2.477 632 G HA2 1.002 4.963 3.960 0.001 0.000 0.304 632 G HA3 1.002 4.963 3.960 0.001 0.000 0.304 632 G C -0.008 174.974 174.900 0.137 0.000 1.175 632 G CA 0.470 45.573 45.100 0.005 0.000 0.907 632 G HN 2.197 nan 8.290 nan 0.000 0.509 633 A N -0.613 122.291 122.820 0.141 0.000 2.586 633 A HA 0.634 4.955 4.320 0.001 0.000 0.296 633 A C -0.588 177.056 177.584 0.100 0.000 1.040 633 A CA -0.106 52.019 52.037 0.148 0.000 0.701 633 A CB 1.156 20.290 19.000 0.224 0.000 1.277 633 A HN 1.318 nan 8.150 nan 0.000 0.413 634 T N 1.589 116.185 114.554 0.070 0.000 2.855 634 T HA 0.723 5.074 4.350 0.001 0.000 0.281 634 T C -0.636 174.085 174.700 0.035 0.000 1.007 634 T CA -0.505 61.625 62.100 0.049 0.000 1.009 634 T CB 0.127 69.018 68.868 0.038 0.000 0.983 634 T HN 0.950 nan 8.240 nan 0.000 0.455 635 I N 2.704 123.291 120.570 0.028 0.000 2.447 635 I HA 0.716 4.887 4.170 0.001 0.000 0.287 635 I C -0.052 176.073 176.117 0.012 0.000 1.023 635 I CA -0.753 60.556 61.300 0.015 0.000 1.083 635 I CB 1.755 39.762 38.000 0.011 0.000 1.245 635 I HN 0.617 nan 8.210 nan 0.000 0.434 636 T N 0.000 114.559 114.554 0.008 0.000 3.816 636 T HA 0.000 4.351 4.350 0.001 0.000 0.228 636 T CA 0.000 62.103 62.100 0.006 0.000 1.349 636 T CB 0.000 68.873 68.868 0.009 0.000 0.612 636 T HN 0.000 nan 8.240 nan 0.000 0.658