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 3o7z_1_D DATA FIRST_RESID 117 DATA SEQUENCE THLRPYETLG AHADTMDGVT GTRFSVWAPN ARRVSVVGQF NYWDGRRHPM DATA SEQUENCE RLRKESGIWE LFIPGAHNGQ LYKYEMIDAN GNLRLKSDPY AFEAQMRPET DATA SEQUENCE ASLICGLPEK VVQTEERKKA NQFDAPISIY EVHLGSWRRH TDNNFWLSYR DATA SEQUENCE ELADQLVPYA KWMGFTHLEL LPINEHPFDG SWGYQPTGLY APTRRFGTRD DATA SEQUENCE DFRYFIDAAH AAGLNVILDW VPGHFPTDDF ALAEFDGTNL YEHSXXXXXX DATA SEQUENCE XXXXNTLIYN YGRREVSNFL VGNALYWIER FGIDALRVDA VASMIYRDYX DATA SEQUENCE XXXXXXXXNE FGGRENLEAI EFLRNTNRIL GEQVSGAVTM AEESTDFPGV DATA SEQUENCE SRPQDMGGLG FWYKWNLGWM HDTLDYMKLD PVYRQYHHDK LTFGILYNYT DATA SEQUENCE ENFVLPLSHD EVVHGKKSIL DRMPGDAWQK FANLRAYYGW MWAFPGKKLL DATA SEQUENCE FMGNEFAQGR EWNHDASLDW HLLEGGDNWH HGVQRLVRDL NLTYRHHKAM DATA SEQUENCE HELDFDPYGF EWLVVDDKER SVLIFVRRDK EGNEIIVASN FTPVPRHDYR DATA SEQUENCE FGINQPGKWR EILNTDSMHY HGSNAGNGGT VHSDEIASHG RQHSLSLTLP DATA SEQUENCE PLATIWLVRE AE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 117 T HA 0.000 nan 4.350 nan 0.000 0.228 117 T C 0.000 174.674 174.700 -0.043 0.000 1.109 117 T CA 0.000 62.085 62.100 -0.026 0.000 1.349 117 T CB 0.000 68.815 68.868 -0.088 0.000 0.612 118 H N 2.416 121.460 119.070 -0.043 0.000 2.546 118 H HA 0.085 4.641 4.556 -0.001 0.000 0.277 118 H C 1.190 176.520 175.328 0.003 0.000 1.004 118 H CA 0.265 56.294 56.048 -0.032 0.000 1.231 118 H CB -0.061 29.686 29.762 -0.025 0.000 1.382 118 H HN 0.370 nan 8.280 nan 0.000 0.580 119 L N 0.935 121.795 121.223 -0.606 0.000 2.275 119 L HA 0.014 4.354 4.340 0.000 0.000 0.215 119 L C 0.968 177.777 176.870 -0.101 0.000 1.119 119 L CA 1.173 55.782 54.840 -0.385 0.000 0.790 119 L CB -0.193 41.670 42.059 -0.327 0.000 0.919 119 L HN 0.209 nan 8.230 nan 0.000 0.443 120 R N -0.392 120.020 120.500 -0.147 0.000 2.748 120 R HA 0.209 4.549 4.340 0.000 0.000 0.283 120 R C -1.688 174.396 176.300 -0.360 0.000 1.507 120 R CA -1.133 54.800 56.100 -0.278 0.000 1.666 120 R CB 0.517 30.540 30.300 -0.462 0.000 1.237 120 R HN 0.017 nan 8.270 nan 0.000 0.633 121 P HA -0.201 nan 4.420 nan 0.000 0.222 121 P C 0.740 177.943 177.300 -0.161 0.000 1.147 121 P CA 1.139 64.198 63.100 -0.067 0.000 0.790 121 P CB 0.037 31.810 31.700 0.122 0.000 0.780 122 Y N -0.062 120.306 120.300 0.113 0.000 2.639 122 Y HA 0.104 4.654 4.550 -0.001 0.000 0.297 122 Y C 1.726 177.758 175.900 0.220 0.000 1.151 122 Y CA 0.248 58.450 58.100 0.170 0.000 1.335 122 Y CB -1.618 37.025 38.460 0.304 0.000 0.994 122 Y HN -0.031 nan 8.280 nan 0.000 0.548 123 E N 0.397 120.387 120.200 -0.349 0.000 2.435 123 E HA -0.037 4.313 4.350 0.000 0.000 0.195 123 E C 1.346 177.661 176.600 -0.476 0.000 1.029 123 E CA 1.264 57.478 56.400 -0.309 0.000 0.865 123 E CB 0.164 29.641 29.700 -0.372 0.000 0.833 123 E HN 0.763 nan 8.360 nan 0.000 0.510 124 T N -2.668 111.674 114.554 -0.354 0.000 3.057 124 T HA 0.211 4.561 4.350 0.000 0.000 0.254 124 T C 0.760 175.377 174.700 -0.138 0.000 0.965 124 T CA -0.399 61.504 62.100 -0.330 0.000 0.978 124 T CB 0.111 68.858 68.868 -0.201 0.000 1.169 124 T HN -0.125 nan 8.240 nan 0.000 0.489 125 L N 2.125 123.261 121.223 -0.146 0.000 2.418 125 L HA 0.594 4.934 4.340 0.000 0.000 0.265 125 L C 1.374 178.258 176.870 0.024 0.000 1.143 125 L CA 0.696 55.424 54.840 -0.186 0.000 0.809 125 L CB 0.482 42.152 42.059 -0.648 0.000 1.124 125 L HN 0.777 nan 8.230 nan 0.000 0.456 126 G N 1.447 110.316 108.800 0.115 0.000 2.482 126 G HA2 0.022 3.983 3.960 0.000 0.000 0.214 126 G HA3 0.022 3.983 3.960 0.000 0.000 0.214 126 G C -0.910 174.069 174.900 0.131 0.000 1.271 126 G CA -0.286 44.903 45.100 0.148 0.000 0.944 126 G HN 0.992 nan 8.290 nan 0.000 0.568 127 A N 0.491 123.235 122.820 -0.127 0.000 2.287 127 A HA 0.806 5.126 4.320 0.000 0.000 0.317 127 A C -0.276 177.004 177.584 -0.505 0.000 1.220 127 A CA -0.294 51.487 52.037 -0.426 0.000 0.835 127 A CB 0.586 19.208 19.000 -0.629 0.000 1.180 127 A HN 0.951 nan 8.150 nan 0.000 0.500 128 H N 1.273 120.229 119.070 -0.191 0.000 2.717 128 H HA 0.552 5.109 4.556 0.000 0.000 0.366 128 H C 0.162 175.428 175.328 -0.104 0.000 1.132 128 H CA -0.310 55.696 56.048 -0.069 0.000 1.180 128 H CB 2.128 31.886 29.762 -0.006 0.000 1.678 128 H HN 0.862 nan 8.280 nan 0.000 0.537 129 A N 2.085 124.940 122.820 0.060 0.000 2.498 129 A HA 0.211 4.531 4.320 0.000 0.000 0.239 129 A C -0.020 177.615 177.584 0.084 0.000 1.068 129 A CA 0.606 52.670 52.037 0.046 0.000 0.766 129 A CB 0.011 19.037 19.000 0.044 0.000 1.003 129 A HN 0.711 nan 8.150 nan 0.000 0.497 130 D N -0.639 119.844 120.400 0.140 0.000 2.599 130 D HA 0.611 5.251 4.640 0.000 0.000 0.252 130 D C -1.349 175.016 176.300 0.108 0.000 1.232 130 D CA -0.035 54.018 54.000 0.088 0.000 0.819 130 D CB 1.983 42.814 40.800 0.052 0.000 1.401 130 D HN 0.347 nan 8.370 nan 0.000 0.429 131 T N 1.766 116.267 114.554 -0.088 0.000 2.881 131 T HA 0.524 4.874 4.350 0.000 0.000 0.291 131 T C -0.474 174.054 174.700 -0.287 0.000 0.990 131 T CA -0.442 61.606 62.100 -0.087 0.000 0.976 131 T CB 0.694 69.544 68.868 -0.030 0.000 0.970 131 T HN 0.224 nan 8.240 nan 0.000 0.438 132 M N 2.628 121.995 119.600 -0.387 0.000 2.197 132 M HA 0.292 4.772 4.480 0.000 0.000 0.301 132 M C -0.672 175.554 176.300 -0.124 0.000 0.987 132 M CA -0.424 54.658 55.300 -0.363 0.000 0.921 132 M CB 1.532 33.732 32.600 -0.666 0.000 1.569 132 M HN 0.607 nan 8.290 nan 0.000 0.431 133 D N 2.475 122.824 120.400 -0.084 0.000 2.800 133 D HA -0.158 4.482 4.640 0.000 0.000 0.232 133 D C 0.894 177.190 176.300 -0.006 0.000 1.137 133 D CA 1.849 55.831 54.000 -0.030 0.000 0.718 133 D CB -1.348 39.448 40.800 -0.006 0.000 1.084 133 D HN 1.179 nan 8.370 nan 0.000 0.432 134 G N -2.326 106.466 108.800 -0.014 0.000 2.184 134 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 134 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 134 G C 0.392 175.312 174.900 0.034 0.000 0.975 134 G CA 0.267 45.370 45.100 0.005 0.000 0.642 134 G HN 0.754 nan 8.290 nan 0.000 0.536 135 V N 1.391 121.342 119.914 0.062 0.000 2.407 135 V HA 0.586 4.706 4.120 0.000 0.000 0.278 135 V C 0.822 177.056 176.094 0.233 0.000 1.037 135 V CA -0.044 62.337 62.300 0.136 0.000 0.900 135 V CB 1.570 33.503 31.823 0.184 0.000 0.983 135 V HN 0.245 nan 8.190 nan 0.000 0.459 136 T N 4.018 118.679 114.554 0.178 0.000 2.889 136 T HA 0.728 5.079 4.350 0.000 0.000 0.291 136 T C 0.453 175.253 174.700 0.168 0.000 0.995 136 T CA 0.633 62.843 62.100 0.184 0.000 1.092 136 T CB 1.315 70.230 68.868 0.078 0.000 0.954 136 T HN 1.158 nan 8.240 nan 0.000 0.506 137 G N 1.527 110.433 108.800 0.177 0.000 2.364 137 G HA2 0.453 4.413 3.960 0.000 0.000 0.286 137 G HA3 0.453 4.413 3.960 0.000 0.000 0.286 137 G C -1.319 173.526 174.900 -0.090 0.000 1.241 137 G CA -0.602 44.405 45.100 -0.154 0.000 0.887 137 G HN 0.654 nan 8.290 nan 0.000 0.484 138 T N 0.541 114.878 114.554 -0.363 0.000 2.824 138 T HA 0.617 4.967 4.350 0.000 0.000 0.282 138 T C -0.163 174.336 174.700 -0.335 0.000 0.993 138 T CA -0.467 61.404 62.100 -0.382 0.000 0.967 138 T CB 1.744 70.180 68.868 -0.721 0.000 0.960 138 T HN 0.612 nan 8.240 nan 0.000 0.441 139 R N 2.563 122.991 120.500 -0.121 0.000 2.312 139 R HA 0.553 4.893 4.340 0.000 0.000 0.311 139 R C -1.320 174.853 176.300 -0.211 0.000 1.004 139 R CA -0.438 55.688 56.100 0.043 0.000 0.902 139 R CB 0.412 30.819 30.300 0.178 0.000 1.073 139 R HN 0.444 nan 8.270 nan 0.000 0.457 140 F N 1.335 121.339 119.950 0.089 0.000 2.450 140 F HA 0.459 4.987 4.527 0.001 0.000 0.332 140 F C 0.100 176.027 175.800 0.211 0.000 1.093 140 F CA -0.467 57.615 58.000 0.136 0.000 1.003 140 F CB 2.453 41.533 39.000 0.134 0.000 1.151 140 F HN 0.361 nan 8.300 nan 0.000 0.474 141 S N 1.650 117.596 115.700 0.410 0.000 2.603 141 S HA 0.639 5.110 4.470 0.000 0.000 0.274 141 S C -1.654 173.095 174.600 0.247 0.000 1.168 141 S CA -0.684 57.683 58.200 0.278 0.000 0.963 141 S CB 1.960 65.269 63.200 0.180 0.000 1.078 141 S HN 0.534 nan 8.310 nan 0.000 0.477 142 V N 4.231 124.262 119.914 0.194 0.000 2.851 142 V HA 0.703 4.823 4.120 0.000 0.000 0.307 142 V C -1.977 174.332 176.094 0.358 0.000 1.129 142 V CA -0.652 61.760 62.300 0.186 0.000 0.932 142 V CB 1.733 33.428 31.823 -0.213 0.000 1.024 142 V HN 0.962 nan 8.190 nan 0.000 0.426 143 W N 7.216 128.635 121.300 0.198 0.000 2.358 143 W HA 0.729 5.390 4.660 0.002 0.000 0.307 143 W C -0.013 176.688 176.519 0.304 0.000 1.203 143 W CA -0.143 57.321 57.345 0.198 0.000 1.279 143 W CB 1.136 30.663 29.460 0.111 0.000 1.264 143 W HN 0.942 nan 8.180 nan 0.000 0.474 144 A N 8.395 131.244 122.820 0.049 0.000 3.330 144 A HA 0.292 4.612 4.320 0.000 0.000 0.256 144 A C -2.090 175.555 177.584 0.102 0.000 1.185 144 A CA -0.739 51.321 52.037 0.038 0.000 0.940 144 A CB 0.251 19.400 19.000 0.248 0.000 1.397 144 A HN 0.409 nan 8.150 nan 0.000 0.678 145 P HA -0.120 nan 4.420 nan 0.000 0.218 145 P C 0.795 178.111 177.300 0.028 0.000 1.148 145 P CA 1.329 64.385 63.100 -0.074 0.000 0.822 145 P CB 0.195 31.817 31.700 -0.130 0.000 0.784 146 N N -0.964 117.741 118.700 0.008 0.000 2.230 146 N HA 0.165 4.905 4.740 0.000 0.000 0.202 146 N C 0.477 176.033 175.510 0.077 0.000 1.119 146 N CA -0.042 53.030 53.050 0.036 0.000 0.851 146 N CB 0.216 38.697 38.487 -0.010 0.000 0.990 146 N HN 0.064 nan 8.380 nan 0.000 0.497 147 A N 1.226 124.131 122.820 0.142 0.000 2.462 147 A HA 0.154 4.474 4.320 0.000 0.000 0.243 147 A C 1.335 179.027 177.584 0.179 0.000 1.076 147 A CA -0.267 51.816 52.037 0.076 0.000 0.773 147 A CB 0.648 19.599 19.000 -0.082 0.000 1.010 147 A HN 0.180 nan 8.150 nan 0.000 0.493 148 R N 0.260 120.797 120.500 0.062 0.000 2.127 148 R HA 0.096 4.437 4.340 0.000 0.000 0.217 148 R C 0.002 176.366 176.300 0.107 0.000 1.074 148 R CA 0.732 56.896 56.100 0.106 0.000 0.991 148 R CB -0.014 30.314 30.300 0.046 0.000 0.895 148 R HN 0.616 nan 8.270 nan 0.000 0.450 149 R N -0.137 120.280 120.500 -0.138 0.000 2.561 149 R HA 0.339 4.680 4.340 0.000 0.000 0.266 149 R C -1.931 173.990 176.300 -0.632 0.000 1.091 149 R CA -0.317 55.606 56.100 -0.295 0.000 0.927 149 R CB 2.325 32.563 30.300 -0.103 0.000 1.240 149 R HN -0.137 nan 8.270 nan 0.000 0.449 150 V N 2.023 121.379 119.914 -0.930 0.000 2.577 150 V HA 0.625 4.746 4.120 0.000 0.000 0.303 150 V C -0.454 175.471 176.094 -0.282 0.000 1.042 150 V CA -0.713 61.163 62.300 -0.707 0.000 0.872 150 V CB 2.163 33.315 31.823 -1.119 0.000 0.998 150 V HN 0.768 nan 8.190 nan 0.000 0.423 151 S N 2.396 118.035 115.700 -0.101 0.000 2.621 151 S HA 0.743 5.213 4.470 0.000 0.000 0.302 151 S C -0.489 174.178 174.600 0.112 0.000 1.093 151 S CA -0.563 57.653 58.200 0.027 0.000 1.017 151 S CB 2.100 65.314 63.200 0.024 0.000 1.077 151 S HN 0.484 nan 8.310 nan 0.000 0.517 152 V N 2.983 122.944 119.914 0.078 0.000 2.394 152 V HA 0.535 4.655 4.120 0.000 0.000 0.282 152 V C -0.208 175.844 176.094 -0.070 0.000 1.031 152 V CA -0.568 61.702 62.300 -0.050 0.000 0.881 152 V CB 0.932 32.520 31.823 -0.392 0.000 0.982 152 V HN 0.681 nan 8.190 nan 0.000 0.451 153 V N 2.175 122.009 119.914 -0.133 0.000 2.680 153 V HA 1.141 5.261 4.120 0.000 0.000 0.309 153 V C 0.152 175.772 176.094 -0.790 0.000 1.052 153 V CA 0.109 62.246 62.300 -0.272 0.000 0.908 153 V CB 1.261 33.092 31.823 0.013 0.000 1.001 153 V HN 1.129 nan 8.190 nan 0.000 0.431 154 G N 2.316 110.157 108.800 -1.598 0.000 2.348 154 G HA2 0.289 4.249 3.960 0.000 0.000 0.296 154 G HA3 0.289 4.249 3.960 0.000 0.000 0.296 154 G C -0.356 173.173 174.900 -2.284 0.000 1.258 154 G CA 0.021 43.623 45.100 -2.498 0.000 0.868 154 G HN 0.574 nan 8.290 nan 0.000 0.488 155 Q N -0.679 118.233 119.800 -1.481 0.000 2.167 155 Q HA -0.018 4.322 4.340 0.000 0.000 0.202 155 Q C 2.151 177.803 176.000 -0.580 0.000 0.970 155 Q CA 2.040 57.434 55.803 -0.681 0.000 0.855 155 Q CB -0.270 28.352 28.738 -0.194 0.000 0.911 155 Q HN 0.603 nan 8.270 nan 0.000 0.438 156 F N 0.689 120.422 119.950 -0.363 0.000 2.546 156 F HA -0.011 4.516 4.527 0.000 0.000 0.298 156 F C 1.061 176.664 175.800 -0.329 0.000 1.120 156 F CA 0.709 58.530 58.000 -0.298 0.000 1.456 156 F CB -0.475 38.371 39.000 -0.257 0.000 1.088 156 F HN 0.092 nan 8.300 nan 0.000 0.572 157 N N -2.043 116.322 118.700 -0.558 0.000 2.377 157 N HA -0.009 4.731 4.740 0.000 0.000 0.259 157 N C -0.691 174.647 175.510 -0.287 0.000 1.332 157 N CA -0.607 52.249 53.050 -0.323 0.000 0.877 157 N CB -0.255 38.234 38.487 0.003 0.000 1.299 157 N HN 0.069 nan 8.380 nan 0.000 0.501 158 Y N -0.153 120.018 120.300 -0.214 0.000 3.396 158 Y HA -0.268 4.283 4.550 0.000 0.000 0.214 158 Y C -0.506 175.421 175.900 0.045 0.000 1.203 158 Y CA 0.720 58.785 58.100 -0.058 0.000 1.401 158 Y CB -2.932 35.540 38.460 0.020 0.000 1.409 158 Y HN 0.537 nan 8.280 nan 0.000 0.594 159 W N -1.410 119.855 121.300 -0.059 0.000 5.121 159 W HA -0.235 4.425 4.660 0.000 0.000 0.372 159 W C 0.347 176.842 176.519 -0.040 0.000 1.394 159 W CA 0.863 58.157 57.345 -0.085 0.000 0.885 159 W CB -0.970 28.450 29.460 -0.067 0.000 2.520 159 W HN 0.402 nan 8.180 nan 0.000 1.455 160 D N 0.222 120.669 120.400 0.078 0.000 2.329 160 D HA 0.409 5.049 4.640 0.000 0.000 0.232 160 D C 1.333 177.652 176.300 0.033 0.000 1.088 160 D CA 0.507 54.548 54.000 0.069 0.000 0.835 160 D CB 1.199 42.037 40.800 0.064 0.000 1.078 160 D HN 0.069 nan 8.370 nan 0.000 0.495 161 G N 3.285 112.107 108.800 0.036 0.000 2.744 161 G HA2 -0.132 3.828 3.960 0.000 0.000 0.211 161 G HA3 -0.132 3.828 3.960 0.000 0.000 0.211 161 G C 1.296 176.200 174.900 0.007 0.000 1.143 161 G CA 0.045 45.159 45.100 0.023 0.000 0.788 161 G HN 0.455 nan 8.290 nan 0.000 0.534 162 R N -0.978 119.520 120.500 -0.004 0.000 2.312 162 R HA 0.227 4.567 4.340 0.000 0.000 0.205 162 R C 2.282 178.548 176.300 -0.056 0.000 0.904 162 R CA -0.180 55.908 56.100 -0.018 0.000 1.052 162 R CB 0.155 30.447 30.300 -0.014 0.000 1.014 162 R HN 0.097 nan 8.270 nan 0.000 0.503 163 R N -0.052 120.393 120.500 -0.092 0.000 2.093 163 R HA 0.026 4.366 4.340 0.000 0.000 0.224 163 R C 0.266 176.295 176.300 -0.452 0.000 1.101 163 R CA 1.251 57.191 56.100 -0.267 0.000 0.979 163 R CB 0.363 30.497 30.300 -0.276 0.000 0.877 163 R HN 0.167 nan 8.270 nan 0.000 0.441 164 H N -0.026 119.048 119.070 0.006 0.000 2.511 164 H HA 0.286 4.843 4.556 0.000 0.000 0.228 164 H C -2.419 172.924 175.328 0.026 0.000 1.424 164 H CA -2.208 53.847 56.048 0.012 0.000 1.321 164 H CB 0.886 30.646 29.762 -0.004 0.000 1.720 164 H HN 0.196 nan 8.280 nan 0.000 0.512 165 P HA 0.009 nan 4.420 nan 0.000 0.268 165 P C 0.360 177.760 177.300 0.167 0.000 1.205 165 P CA 0.106 63.270 63.100 0.106 0.000 0.771 165 P CB 1.120 32.872 31.700 0.086 0.000 0.858 166 M N 1.942 121.664 119.600 0.203 0.000 2.368 166 M HA 0.425 4.905 4.480 0.000 0.000 0.311 166 M C 0.846 177.412 176.300 0.444 0.000 1.168 166 M CA -0.543 54.947 55.300 0.317 0.000 1.044 166 M CB 1.181 34.005 32.600 0.372 0.000 1.506 166 M HN 0.229 nan 8.290 nan 0.000 0.475 167 R N 1.300 122.007 120.500 0.346 0.000 2.460 167 R HA 0.521 4.861 4.340 0.000 0.000 0.303 167 R C -1.495 174.802 176.300 -0.006 0.000 0.968 167 R CA -0.832 55.390 56.100 0.202 0.000 0.889 167 R CB 1.183 31.543 30.300 0.100 0.000 1.123 167 R HN 0.612 nan 8.270 nan 0.000 0.455 168 L N 3.974 124.909 121.223 -0.480 0.000 2.319 168 L HA 0.370 4.710 4.340 0.000 0.000 0.280 168 L C -0.652 175.941 176.870 -0.461 0.000 1.099 168 L CA 0.003 54.238 54.840 -1.007 0.000 0.828 168 L CB 0.822 41.848 42.059 -1.722 0.000 1.150 168 L HN 0.485 nan 8.230 nan 0.000 0.442 169 R N 3.861 124.158 120.500 -0.340 0.000 2.205 169 R HA 0.249 4.589 4.340 0.000 0.000 0.342 169 R C 0.902 177.099 176.300 -0.171 0.000 1.058 169 R CA -0.012 55.980 56.100 -0.180 0.000 0.904 169 R CB 0.582 30.826 30.300 -0.094 0.000 1.089 169 R HN 0.634 nan 8.270 nan 0.000 0.471 170 K N 1.919 122.232 120.400 -0.144 0.000 2.148 170 K HA -0.168 4.152 4.320 0.000 0.000 0.204 170 K C 0.959 177.524 176.600 -0.058 0.000 1.050 170 K CA 1.549 57.768 56.287 -0.113 0.000 0.942 170 K CB 0.294 32.740 32.500 -0.091 0.000 0.724 170 K HN 0.481 nan 8.250 nan 0.000 0.446 171 E N 0.576 120.750 120.200 -0.045 0.000 2.153 171 E HA -0.164 4.186 4.350 0.000 0.000 0.194 171 E C 1.667 178.267 176.600 0.001 0.000 0.988 171 E CA 1.706 58.093 56.400 -0.021 0.000 0.811 171 E CB -0.160 29.527 29.700 -0.022 0.000 0.746 171 E HN 0.306 nan 8.360 nan 0.000 0.466 172 S N -1.920 113.784 115.700 0.006 0.000 2.549 172 S HA 0.411 4.881 4.470 0.000 0.000 0.225 172 S C 1.665 176.367 174.600 0.170 0.000 1.039 172 S CA -0.040 58.196 58.200 0.060 0.000 0.942 172 S CB 0.565 63.787 63.200 0.035 0.000 0.881 172 S HN 0.503 nan 8.310 nan 0.000 0.503 173 G N 1.477 110.327 108.800 0.083 0.000 2.136 173 G HA2 -0.208 3.752 3.960 0.000 0.000 0.242 173 G HA3 -0.208 3.752 3.960 0.000 0.000 0.242 173 G C -0.115 174.860 174.900 0.125 0.000 0.989 173 G CA 0.260 45.414 45.100 0.089 0.000 0.682 173 G HN 0.590 nan 8.290 nan 0.000 0.522 174 I N 0.137 120.749 120.570 0.070 0.000 2.321 174 I HA 0.434 4.604 4.170 0.000 0.000 0.291 174 I C 0.211 176.316 176.117 -0.019 0.000 0.998 174 I CA -1.011 60.366 61.300 0.129 0.000 1.227 174 I CB 0.708 38.796 38.000 0.146 0.000 1.368 174 I HN 0.099 nan 8.210 nan 0.000 0.466 175 W N 5.727 127.074 121.300 0.078 0.000 2.315 175 W HA 0.464 5.124 4.660 0.000 0.000 0.316 175 W C 0.321 176.890 176.519 0.083 0.000 1.211 175 W CA -0.140 57.239 57.345 0.056 0.000 1.201 175 W CB 0.646 30.114 29.460 0.012 0.000 1.184 175 W HN 0.388 nan 8.180 nan 0.000 0.544 176 E N 2.557 122.936 120.200 0.298 0.000 2.331 176 E HA 0.610 4.960 4.350 0.000 0.000 0.275 176 E C -2.213 174.542 176.600 0.258 0.000 0.895 176 E CA -0.997 55.554 56.400 0.252 0.000 0.753 176 E CB 1.934 31.731 29.700 0.161 0.000 1.216 176 E HN 0.400 nan 8.360 nan 0.000 0.434 177 L N 4.574 125.971 121.223 0.291 0.000 2.565 177 L HA 0.481 4.822 4.340 0.000 0.000 0.261 177 L C -2.017 175.055 176.870 0.337 0.000 0.932 177 L CA -0.407 54.600 54.840 0.279 0.000 0.878 177 L CB 1.647 43.849 42.059 0.237 0.000 1.333 177 L HN 0.621 nan 8.230 nan 0.000 0.409 178 F N 5.777 125.798 119.950 0.118 0.000 2.404 178 F HA 0.698 5.225 4.527 0.000 0.000 0.345 178 F C -0.438 175.386 175.800 0.041 0.000 1.110 178 F CA -0.454 57.587 58.000 0.068 0.000 1.130 178 F CB 0.784 39.803 39.000 0.032 0.000 1.129 178 F HN 0.352 nan 8.300 nan 0.000 0.500 179 I N 8.248 128.400 120.570 -0.697 0.000 2.420 179 I HA 0.287 4.458 4.170 0.000 0.000 0.282 179 I C -2.330 173.225 176.117 -0.938 0.000 1.019 179 I CA -2.308 58.582 61.300 -0.684 0.000 1.130 179 I CB 1.381 39.002 38.000 -0.633 0.000 1.262 179 I HN 0.385 nan 8.210 nan 0.000 0.454 180 P HA 0.072 nan 4.420 nan 0.000 0.266 180 P C 1.022 178.152 177.300 -0.283 0.000 1.195 180 P CA 0.740 63.570 63.100 -0.450 0.000 0.768 180 P CB 0.814 32.431 31.700 -0.140 0.000 0.838 181 G N 1.415 110.110 108.800 -0.175 0.000 2.347 181 G HA2 -0.273 3.687 3.960 0.000 0.000 0.247 181 G HA3 -0.273 3.687 3.960 0.000 0.000 0.247 181 G C 0.480 175.363 174.900 -0.029 0.000 1.037 181 G CA 0.186 45.243 45.100 -0.070 0.000 0.622 181 G HN 0.887 nan 8.290 nan 0.000 0.521 182 A N 2.062 124.721 122.820 -0.269 0.000 2.477 182 A HA 0.607 4.928 4.320 0.000 0.000 0.246 182 A C 0.521 177.992 177.584 -0.188 0.000 1.078 182 A CA 0.908 52.703 52.037 -0.403 0.000 0.770 182 A CB -0.056 18.409 19.000 -0.892 0.000 1.011 182 A HN 1.570 nan 8.150 nan 0.000 0.494 183 H N 0.844 119.836 119.070 -0.131 0.000 3.008 183 H HA 0.383 4.939 4.556 0.000 0.000 0.354 183 H C -0.977 174.346 175.328 -0.009 0.000 1.252 183 H CA -1.269 54.736 56.048 -0.073 0.000 1.117 183 H CB 0.282 30.022 29.762 -0.038 0.000 1.857 183 H HN 0.543 nan 8.280 nan 0.000 0.547 184 N N -0.291 118.476 118.700 0.111 0.000 2.294 184 N HA 0.126 4.866 4.740 0.000 0.000 0.248 184 N C 1.500 177.086 175.510 0.127 0.000 1.242 184 N CA 2.374 55.484 53.050 0.099 0.000 0.848 184 N CB 0.316 38.868 38.487 0.110 0.000 1.084 184 N HN 0.963 nan 8.380 nan 0.000 0.457 185 G N 0.932 109.793 108.800 0.102 0.000 2.279 185 G HA2 -0.237 3.723 3.960 0.000 0.000 0.223 185 G HA3 -0.237 3.723 3.960 0.000 0.000 0.223 185 G C -0.158 174.787 174.900 0.075 0.000 1.015 185 G CA -0.276 44.888 45.100 0.105 0.000 0.621 185 G HN 0.581 nan 8.290 nan 0.000 0.506 186 Q N 0.500 120.311 119.800 0.017 0.000 2.230 186 Q HA 0.690 5.030 4.340 0.000 0.000 0.253 186 Q C 0.257 176.371 176.000 0.189 0.000 0.919 186 Q CA -0.575 55.259 55.803 0.051 0.000 0.908 186 Q CB 1.817 30.538 28.738 -0.027 0.000 1.245 186 Q HN 0.427 nan 8.270 nan 0.000 0.437 187 L N 3.058 124.379 121.223 0.163 0.000 2.418 187 L HA 0.426 4.766 4.340 0.000 0.000 0.265 187 L C -0.473 176.470 176.870 0.121 0.000 1.143 187 L CA -0.442 54.529 54.840 0.218 0.000 0.809 187 L CB 0.003 42.253 42.059 0.318 0.000 1.124 187 L HN 0.665 nan 8.230 nan 0.000 0.456 188 Y N 0.083 120.391 120.300 0.014 0.000 2.713 188 Y HA 0.692 5.242 4.550 0.000 0.000 0.335 188 Y C -1.434 174.461 175.900 -0.008 0.000 1.222 188 Y CA -1.493 56.489 58.100 -0.197 0.000 1.061 188 Y CB 1.360 39.762 38.460 -0.097 0.000 1.314 188 Y HN 0.412 nan 8.280 nan 0.000 0.453 189 K N 0.342 120.675 120.400 -0.111 0.000 2.367 189 K HA 0.506 4.826 4.320 0.000 0.000 0.272 189 K C -2.064 174.389 176.600 -0.245 0.000 1.046 189 K CA -1.163 54.999 56.287 -0.207 0.000 0.895 189 K CB 2.553 35.082 32.500 0.049 0.000 1.512 189 K HN 0.700 nan 8.250 nan 0.000 0.433 190 Y N 0.810 121.178 120.300 0.113 0.000 2.377 190 Y HA 0.249 4.799 4.550 0.000 0.000 0.339 190 Y C -0.131 175.758 175.900 -0.018 0.000 1.011 190 Y CA -0.629 57.503 58.100 0.052 0.000 1.093 190 Y CB 1.901 40.395 38.460 0.056 0.000 1.201 190 Y HN 0.473 nan 8.280 nan 0.000 0.455 191 E N 5.645 125.909 120.200 0.107 0.000 2.081 191 E HA 0.381 4.731 4.350 0.000 0.000 0.276 191 E C -0.991 175.570 176.600 -0.064 0.000 0.950 191 E CA -0.688 55.721 56.400 0.015 0.000 0.776 191 E CB 0.671 30.381 29.700 0.018 0.000 1.094 191 E HN 0.719 nan 8.360 nan 0.000 0.402 192 M N 3.753 123.283 119.600 -0.117 0.000 2.578 192 M HA 0.495 4.975 4.480 0.000 0.000 0.321 192 M C -1.176 175.030 176.300 -0.157 0.000 1.182 192 M CA -0.892 54.286 55.300 -0.202 0.000 0.965 192 M CB 1.505 33.930 32.600 -0.292 0.000 1.694 192 M HN 0.264 nan 8.290 nan 0.000 0.461 193 I N 3.738 124.210 120.570 -0.164 0.000 2.307 193 I HA 0.219 4.389 4.170 0.000 0.000 0.289 193 I C -0.092 175.956 176.117 -0.115 0.000 1.021 193 I CA -0.260 60.974 61.300 -0.110 0.000 1.224 193 I CB 0.387 38.341 38.000 -0.077 0.000 1.376 193 I HN 0.865 nan 8.210 nan 0.000 0.470 194 D N 6.042 126.382 120.400 -0.100 0.000 2.356 194 D HA 0.091 4.731 4.640 0.000 0.000 0.258 194 D C 1.174 177.447 176.300 -0.044 0.000 1.279 194 D CA -0.269 53.678 54.000 -0.089 0.000 1.016 194 D CB 0.732 41.480 40.800 -0.087 0.000 1.107 194 D HN 0.447 nan 8.370 nan 0.000 0.544 195 A N -0.568 122.234 122.820 -0.030 0.000 2.067 195 A HA -0.149 4.171 4.320 0.000 0.000 0.219 195 A C 1.353 178.933 177.584 -0.007 0.000 1.158 195 A CA 0.920 52.952 52.037 -0.008 0.000 0.661 195 A CB -0.614 18.382 19.000 -0.007 0.000 0.801 195 A HN 0.586 nan 8.150 nan 0.000 0.452 196 N N -0.776 117.917 118.700 -0.013 0.000 2.251 196 N HA 0.208 4.949 4.740 0.000 0.000 0.217 196 N C 0.896 176.400 175.510 -0.011 0.000 1.124 196 N CA 0.746 53.790 53.050 -0.009 0.000 0.843 196 N CB 0.668 39.151 38.487 -0.007 0.000 1.024 196 N HN 0.559 nan 8.380 nan 0.000 0.501 197 G N 1.308 110.098 108.800 -0.016 0.000 2.143 197 G HA2 -0.246 3.714 3.960 0.000 0.000 0.248 197 G HA3 -0.246 3.714 3.960 0.000 0.000 0.248 197 G C -0.232 174.652 174.900 -0.026 0.000 0.991 197 G CA -0.329 44.760 45.100 -0.019 0.000 0.689 197 G HN 0.292 nan 8.290 nan 0.000 0.522 198 N N -0.062 118.619 118.700 -0.032 0.000 2.499 198 N HA 0.438 5.178 4.740 0.000 0.000 0.281 198 N C 0.083 175.563 175.510 -0.051 0.000 1.098 198 N CA -0.484 52.545 53.050 -0.035 0.000 0.979 198 N CB 1.712 40.183 38.487 -0.027 0.000 1.121 198 N HN 0.243 nan 8.380 nan 0.000 0.466 199 L N 3.292 124.486 121.223 -0.049 0.000 2.360 199 L HA 0.248 4.588 4.340 0.000 0.000 0.276 199 L C -0.181 176.649 176.870 -0.067 0.000 1.121 199 L CA 0.438 55.243 54.840 -0.058 0.000 0.845 199 L CB -0.021 42.010 42.059 -0.047 0.000 1.143 199 L HN 0.343 nan 8.230 nan 0.000 0.452 200 R N 5.451 125.903 120.500 -0.081 0.000 2.584 200 R HA 0.466 4.806 4.340 0.000 0.000 0.276 200 R C -1.473 174.777 176.300 -0.084 0.000 1.046 200 R CA -0.731 55.315 56.100 -0.091 0.000 0.906 200 R CB 1.533 31.767 30.300 -0.111 0.000 1.215 200 R HN 0.611 nan 8.270 nan 0.000 0.449 201 L N 3.292 124.469 121.223 -0.076 0.000 2.292 201 L HA 0.441 4.781 4.340 0.000 0.000 0.284 201 L C 0.136 176.979 176.870 -0.045 0.000 1.065 201 L CA -0.515 54.297 54.840 -0.047 0.000 0.806 201 L CB 0.754 42.781 42.059 -0.053 0.000 1.175 201 L HN 0.132 nan 8.230 nan 0.000 0.431 202 K N 2.149 122.550 120.400 0.002 0.000 2.324 202 K HA 0.457 4.777 4.320 0.000 0.000 0.253 202 K C -0.664 176.009 176.600 0.122 0.000 0.932 202 K CA -0.613 55.703 56.287 0.048 0.000 0.799 202 K CB 2.147 34.633 32.500 -0.024 0.000 1.154 202 K HN 0.415 nan 8.250 nan 0.000 0.425 203 S N 1.323 117.096 115.700 0.121 0.000 2.576 203 S HA 0.025 4.496 4.470 0.000 0.000 0.276 203 S C -0.067 174.684 174.600 0.252 0.000 1.339 203 S CA -0.381 57.866 58.200 0.078 0.000 1.039 203 S CB 0.551 63.780 63.200 0.049 0.000 0.902 203 S HN 0.396 nan 8.310 nan 0.000 0.516 204 D N 1.953 122.454 120.400 0.168 0.000 2.371 204 D HA 0.176 4.816 4.640 0.000 0.000 0.256 204 D C -1.599 174.817 176.300 0.194 0.000 1.193 204 D CA -1.923 52.297 54.000 0.366 0.000 0.881 204 D CB 1.163 42.160 40.800 0.329 0.000 1.143 204 D HN 0.108 nan 8.370 nan 0.000 0.473 205 P HA -0.107 nan 4.420 nan 0.000 0.221 205 P C 0.121 177.401 177.300 -0.033 0.000 1.145 205 P CA 1.048 64.118 63.100 -0.050 0.000 0.795 205 P CB 0.012 31.475 31.700 -0.395 0.000 0.775 206 Y N -0.901 119.390 120.300 -0.016 0.000 2.746 206 Y HA 0.435 4.984 4.550 -0.000 0.000 0.312 206 Y C 0.923 176.420 175.900 -0.671 0.000 1.117 206 Y CA -0.923 56.938 58.100 -0.398 0.000 1.324 206 Y CB -0.684 37.543 38.460 -0.389 0.000 1.173 206 Y HN -0.165 nan 8.280 nan 0.000 0.529 207 A N -0.088 122.609 122.820 -0.205 0.000 2.524 207 A HA 0.109 4.429 4.320 0.000 0.000 0.250 207 A C 0.229 177.712 177.584 -0.169 0.000 1.078 207 A CA 0.123 52.045 52.037 -0.191 0.000 0.761 207 A CB -0.215 18.761 19.000 -0.042 0.000 1.012 207 A HN 0.496 nan 8.150 nan 0.000 0.500 208 F N 0.571 120.625 119.950 0.173 0.000 2.789 208 F HA 0.273 4.800 4.527 0.000 0.000 0.300 208 F C 0.993 176.940 175.800 0.244 0.000 1.132 208 F CA 0.804 58.938 58.000 0.223 0.000 1.404 208 F CB -0.013 39.127 39.000 0.233 0.000 1.114 208 F HN 0.714 nan 8.300 nan 0.000 0.584 209 E N -0.286 120.094 120.200 0.300 0.000 2.400 209 E HA 0.623 4.973 4.350 0.000 0.000 0.285 209 E C -1.678 175.005 176.600 0.138 0.000 1.005 209 E CA -0.601 55.940 56.400 0.233 0.000 0.816 209 E CB 1.472 31.322 29.700 0.249 0.000 1.220 209 E HN -0.040 nan 8.360 nan 0.000 0.426 210 A N 3.431 126.310 122.820 0.098 0.000 2.380 210 A HA 0.536 4.856 4.320 0.000 0.000 0.315 210 A C -0.476 177.126 177.584 0.030 0.000 1.101 210 A CA -0.616 51.445 52.037 0.040 0.000 0.771 210 A CB 1.662 20.670 19.000 0.013 0.000 1.287 210 A HN 0.676 nan 8.150 nan 0.000 0.436 211 Q N 0.137 119.943 119.800 0.010 0.000 2.428 211 Q HA 0.171 4.511 4.340 0.000 0.000 0.276 211 Q C -0.099 175.888 176.000 -0.021 0.000 1.059 211 Q CA -0.016 55.791 55.803 0.006 0.000 0.923 211 Q CB 0.297 29.031 28.738 -0.007 0.000 1.283 211 Q HN 0.701 nan 8.270 nan 0.000 0.447 212 M N 2.865 122.454 119.600 -0.019 0.000 2.200 212 M HA 0.147 4.627 4.480 0.000 0.000 0.355 212 M C -0.779 175.484 176.300 -0.061 0.000 1.283 212 M CA 0.456 55.729 55.300 -0.045 0.000 1.124 212 M CB 0.466 33.049 32.600 -0.029 0.000 1.625 212 M HN 0.476 nan 8.290 nan 0.000 0.463 213 R N 5.416 125.863 120.500 -0.088 0.000 2.584 213 R HA 0.023 4.363 4.340 0.000 0.000 0.315 213 R C -2.247 174.005 176.300 -0.079 0.000 0.863 213 R CA 0.048 56.088 56.100 -0.100 0.000 1.139 213 R CB -0.780 29.447 30.300 -0.123 0.000 0.880 213 R HN 0.488 nan 8.270 nan 0.000 0.413 214 P HA 0.264 nan 4.420 nan 0.000 0.291 214 P C -0.705 176.536 177.300 -0.099 0.000 1.304 214 P CA -0.859 62.183 63.100 -0.097 0.000 0.929 214 P CB 0.921 32.558 31.700 -0.105 0.000 1.317 215 E N -0.046 120.084 120.200 -0.116 0.000 3.787 215 E HA 0.019 4.369 4.350 0.000 0.000 0.418 215 E C 0.756 177.300 176.600 -0.094 0.000 1.529 215 E CA 1.424 57.756 56.400 -0.115 0.000 2.366 215 E CB -0.931 28.691 29.700 -0.131 0.000 1.118 215 E HN 0.858 nan 8.360 nan 0.000 0.671 216 T N -3.970 110.533 114.554 -0.084 0.000 10.301 216 T HA -0.214 4.137 4.350 0.000 0.000 0.350 216 T C 0.437 175.089 174.700 -0.080 0.000 1.876 216 T CA 1.272 63.325 62.100 -0.079 0.000 3.071 216 T CB -1.782 67.038 68.868 -0.080 0.000 2.143 216 T HN 0.977 nan 8.240 nan 0.000 0.724 217 A N 2.179 124.949 122.820 -0.082 0.000 2.407 217 A HA 0.678 4.999 4.320 0.000 0.000 0.248 217 A C 0.618 178.135 177.584 -0.111 0.000 1.082 217 A CA 0.452 52.443 52.037 -0.077 0.000 0.785 217 A CB 0.576 19.590 19.000 0.024 0.000 1.020 217 A HN 1.039 nan 8.150 nan 0.000 0.489 218 S N 0.248 115.777 115.700 -0.286 0.000 2.646 218 S HA 0.567 5.038 4.470 0.000 0.000 0.276 218 S C -0.470 174.041 174.600 -0.148 0.000 1.222 218 S CA -0.444 57.571 58.200 -0.309 0.000 1.014 218 S CB 1.127 63.941 63.200 -0.645 0.000 0.991 218 S HN 0.628 nan 8.310 nan 0.000 0.533 219 L N 2.050 123.321 121.223 0.081 0.000 2.322 219 L HA 0.548 4.888 4.340 0.000 0.000 0.281 219 L C -0.865 176.213 176.870 0.347 0.000 1.014 219 L CA -0.487 54.489 54.840 0.227 0.000 0.815 219 L CB 0.906 43.069 42.059 0.174 0.000 1.247 219 L HN 0.614 nan 8.230 nan 0.000 0.421 220 I N 4.872 125.658 120.570 0.360 0.000 2.517 220 I HA 0.060 4.230 4.170 0.000 0.000 0.285 220 I C 0.618 176.826 176.117 0.153 0.000 1.106 220 I CA 0.095 61.512 61.300 0.194 0.000 1.402 220 I CB 0.205 38.222 38.000 0.028 0.000 1.399 220 I HN 0.925 nan 8.210 nan 0.000 0.535 221 C N 2.425 121.825 119.300 0.166 0.000 4.635 221 C HA 0.527 4.987 4.460 0.000 0.000 0.400 221 C C 0.888 175.958 174.990 0.134 0.000 1.766 221 C CA -0.093 59.018 59.018 0.155 0.000 1.939 221 C CB -0.633 27.225 27.740 0.197 0.000 3.009 221 C HN 1.116 nan 8.230 nan 0.000 0.621 222 G N 1.896 110.797 108.800 0.168 0.000 2.752 222 G HA2 0.037 3.998 3.960 0.000 0.000 0.234 222 G HA3 0.037 3.998 3.960 0.000 0.000 0.234 222 G C -0.926 173.929 174.900 -0.076 0.000 1.367 222 G CA -0.061 45.074 45.100 0.058 0.000 0.879 222 G HN 0.621 nan 8.290 nan 0.000 0.563 223 L N 1.998 123.136 121.223 -0.143 0.000 2.395 223 L HA 0.561 4.902 4.340 0.000 0.000 0.269 223 L C -1.278 175.507 176.870 -0.142 0.000 1.133 223 L CA -1.595 53.118 54.840 -0.212 0.000 0.812 223 L CB 0.534 42.534 42.059 -0.099 0.000 1.125 223 L HN 0.505 nan 8.230 nan 0.000 0.452 224 P HA 0.165 nan 4.420 nan 0.000 0.274 224 P C -0.765 176.417 177.300 -0.197 0.000 1.256 224 P CA -0.684 62.269 63.100 -0.246 0.000 0.795 224 P CB 0.480 31.888 31.700 -0.487 0.000 1.038 225 E N 1.107 121.214 120.200 -0.155 0.000 2.360 225 E HA 0.041 4.391 4.350 0.000 0.000 0.269 225 E C -0.335 176.184 176.600 -0.135 0.000 1.022 225 E CA -0.476 55.856 56.400 -0.113 0.000 0.887 225 E CB 0.341 29.992 29.700 -0.082 0.000 0.990 225 E HN 0.177 nan 8.360 nan 0.000 0.426 226 K N 1.693 122.034 120.400 -0.097 0.000 2.494 226 K HA 0.046 4.367 4.320 0.000 0.000 0.273 226 K C -0.672 175.876 176.600 -0.086 0.000 0.970 226 K CA -0.038 56.196 56.287 -0.088 0.000 0.963 226 K CB 0.690 33.158 32.500 -0.053 0.000 0.913 226 K HN 0.265 nan 8.250 nan 0.000 0.502 227 V N 2.939 122.805 119.914 -0.080 0.000 2.448 227 V HA 0.140 4.260 4.120 0.000 0.000 0.295 227 V C -0.177 175.883 176.094 -0.056 0.000 1.025 227 V CA -0.960 61.302 62.300 -0.064 0.000 0.859 227 V CB 1.811 33.605 31.823 -0.048 0.000 0.988 227 V HN 0.438 nan 8.190 nan 0.000 0.431 228 V N 4.859 124.737 119.914 -0.060 0.000 2.461 228 V HA 0.219 4.340 4.120 0.000 0.000 0.275 228 V C 0.406 176.447 176.094 -0.088 0.000 1.047 228 V CA -0.218 62.043 62.300 -0.066 0.000 0.955 228 V CB 1.264 33.050 31.823 -0.061 0.000 0.988 228 V HN 0.961 nan 8.190 nan 0.000 0.471 229 Q N 3.194 122.937 119.800 -0.095 0.000 2.313 229 Q HA 0.206 4.546 4.340 0.000 0.000 0.266 229 Q C 0.434 176.353 176.000 -0.134 0.000 0.989 229 Q CA -0.328 55.395 55.803 -0.134 0.000 0.890 229 Q CB 0.887 29.550 28.738 -0.124 0.000 1.200 229 Q HN 0.946 nan 8.270 nan 0.000 0.396 230 T N 0.822 115.276 114.554 -0.167 0.000 2.868 230 T HA 0.125 4.475 4.350 0.000 0.000 0.292 230 T C 0.926 175.553 174.700 -0.122 0.000 1.028 230 T CA -0.857 61.162 62.100 -0.135 0.000 1.059 230 T CB 0.974 69.756 68.868 -0.144 0.000 0.991 230 T HN 0.598 nan 8.240 nan 0.000 0.531 231 E N 1.199 121.341 120.200 -0.097 0.000 2.160 231 E HA -0.164 4.186 4.350 0.000 0.000 0.195 231 E C 2.162 178.708 176.600 -0.091 0.000 0.991 231 E CA 1.379 57.727 56.400 -0.087 0.000 0.810 231 E CB -0.106 29.553 29.700 -0.068 0.000 0.742 231 E HN 0.862 nan 8.360 nan 0.000 0.466 232 E N 0.772 120.915 120.200 -0.096 0.000 2.106 232 E HA -0.137 4.213 4.350 0.000 0.000 0.192 232 E C 2.008 178.541 176.600 -0.113 0.000 0.984 232 E CA 0.636 56.980 56.400 -0.094 0.000 0.806 232 E CB -0.466 29.181 29.700 -0.089 0.000 0.750 232 E HN 0.252 nan 8.360 nan 0.000 0.458 233 R N 1.027 121.438 120.500 -0.150 0.000 2.115 233 R HA 0.019 4.359 4.340 0.000 0.000 0.226 233 R C 2.366 178.585 176.300 -0.135 0.000 1.100 233 R CA 0.992 56.987 56.100 -0.175 0.000 0.980 233 R CB -0.120 30.021 30.300 -0.266 0.000 0.875 233 R HN 0.193 nan 8.270 nan 0.000 0.445 234 K N 0.767 121.090 120.400 -0.128 0.000 2.057 234 K HA -0.081 4.239 4.320 0.000 0.000 0.206 234 K C 1.954 178.492 176.600 -0.103 0.000 1.050 234 K CA 1.044 57.255 56.287 -0.125 0.000 0.935 234 K CB 0.011 32.433 32.500 -0.130 0.000 0.715 234 K HN 0.081 nan 8.250 nan 0.000 0.439 235 K N 0.623 120.974 120.400 -0.082 0.000 2.211 235 K HA -0.038 4.282 4.320 0.000 0.000 0.203 235 K C 2.077 178.659 176.600 -0.030 0.000 1.050 235 K CA 1.029 57.282 56.287 -0.057 0.000 0.945 235 K CB -0.042 32.429 32.500 -0.049 0.000 0.732 235 K HN 0.116 nan 8.250 nan 0.000 0.451 236 A N 1.496 124.298 122.820 -0.030 0.000 2.168 236 A HA -0.098 4.222 4.320 0.000 0.000 0.215 236 A C 1.426 179.089 177.584 0.133 0.000 1.152 236 A CA 1.091 53.142 52.037 0.024 0.000 0.716 236 A CB -0.435 18.543 19.000 -0.037 0.000 0.794 236 A HN 0.372 nan 8.150 nan 0.000 0.465 237 N N -0.743 118.001 118.700 0.074 0.000 2.353 237 N HA 0.013 4.753 4.740 0.000 0.000 0.185 237 N C 0.147 175.725 175.510 0.112 0.000 1.098 237 N CA -0.201 52.914 53.050 0.108 0.000 0.872 237 N CB 0.167 38.664 38.487 0.017 0.000 0.970 237 N HN 0.360 nan 8.380 nan 0.000 0.467 238 Q N 0.052 119.875 119.800 0.038 0.000 2.396 238 Q HA 0.104 4.444 4.340 0.000 0.000 0.221 238 Q C 0.935 177.080 176.000 0.242 0.000 1.025 238 Q CA 0.092 55.878 55.803 -0.028 0.000 0.946 238 Q CB 0.321 29.014 28.738 -0.075 0.000 1.224 238 Q HN 0.234 nan 8.270 nan 0.000 0.539 239 F N 0.592 120.748 119.950 0.343 0.000 2.154 239 F HA -0.238 4.283 4.527 -0.010 0.000 0.301 239 F C 1.613 177.608 175.800 0.325 0.000 1.087 239 F CA 1.049 59.333 58.000 0.474 0.000 1.274 239 F CB 0.004 39.274 39.000 0.451 0.000 1.009 239 F HN 0.524 nan 8.300 nan 0.000 0.485 240 D N -0.007 120.610 120.400 0.362 0.000 2.325 240 D HA 0.164 4.804 4.640 0.000 0.000 0.225 240 D C 0.321 176.732 176.300 0.185 0.000 1.096 240 D CA 0.122 54.261 54.000 0.231 0.000 0.844 240 D CB -0.458 40.447 40.800 0.176 0.000 0.925 240 D HN 0.093 nan 8.370 nan 0.000 0.513 241 A N 1.282 124.186 122.820 0.140 0.000 2.293 241 A HA 0.576 4.896 4.320 0.000 0.000 0.302 241 A C -2.510 174.968 177.584 -0.177 0.000 1.119 241 A CA -1.569 50.454 52.037 -0.023 0.000 0.823 241 A CB 0.552 19.562 19.000 0.017 0.000 1.097 241 A HN 0.006 nan 8.150 nan 0.000 0.491 242 P HA 0.319 nan 4.420 nan 0.000 0.276 242 P C -0.977 176.271 177.300 -0.086 0.000 1.264 242 P CA 0.579 63.286 63.100 -0.654 0.000 0.769 242 P CB 0.235 31.271 31.700 -1.106 0.000 0.840 243 I N 2.311 122.966 120.570 0.140 0.000 2.410 243 I HA 0.286 4.456 4.170 0.000 0.000 0.286 243 I C 0.145 176.327 176.117 0.109 0.000 1.009 243 I CA -0.362 60.983 61.300 0.074 0.000 1.111 243 I CB 1.742 39.647 38.000 -0.159 0.000 1.262 243 I HN 0.226 nan 8.210 nan 0.000 0.443 244 S N 7.668 123.489 115.700 0.202 0.000 2.707 244 S HA 0.668 5.138 4.470 0.000 0.000 0.303 244 S C -0.814 174.024 174.600 0.396 0.000 1.132 244 S CA -0.440 57.880 58.200 0.200 0.000 1.046 244 S CB 0.691 64.067 63.200 0.294 0.000 1.004 244 S HN 0.434 nan 8.310 nan 0.000 0.483 245 I N 4.825 125.548 120.570 0.256 0.000 2.377 245 I HA 0.357 4.527 4.170 0.000 0.000 0.293 245 I C -0.712 175.452 176.117 0.079 0.000 0.987 245 I CA -0.813 60.607 61.300 0.200 0.000 1.185 245 I CB 1.420 39.450 38.000 0.049 0.000 1.341 245 I HN 0.676 nan 8.210 nan 0.000 0.455 246 Y N 5.997 126.107 120.300 -0.318 0.000 2.385 246 Y HA 0.276 4.826 4.550 -0.000 0.000 0.341 246 Y C 0.249 176.016 175.900 -0.222 0.000 0.965 246 Y CA -0.540 57.186 58.100 -0.623 0.000 1.180 246 Y CB 0.787 38.678 38.460 -0.947 0.000 1.139 246 Y HN 0.555 nan 8.280 nan 0.000 0.502 247 E N 5.261 125.279 120.200 -0.304 0.000 2.229 247 E HA 0.425 4.775 4.350 0.000 0.000 0.283 247 E C -1.570 174.782 176.600 -0.413 0.000 1.030 247 E CA -0.443 55.880 56.400 -0.128 0.000 0.836 247 E CB 1.034 30.851 29.700 0.194 0.000 1.068 247 E HN 0.487 nan 8.360 nan 0.000 0.401 248 V N 4.673 124.421 119.914 -0.276 0.000 2.709 248 V HA 0.142 4.263 4.120 0.000 0.000 0.308 248 V C -0.427 175.627 176.094 -0.066 0.000 1.062 248 V CA -0.864 61.233 62.300 -0.340 0.000 0.901 248 V CB 1.774 33.364 31.823 -0.389 0.000 1.003 248 V HN 0.700 nan 8.190 nan 0.000 0.425 249 H N 4.900 123.913 119.070 -0.095 0.000 2.641 249 H HA 0.360 4.916 4.556 0.000 0.000 0.295 249 H C 0.650 176.016 175.328 0.063 0.000 1.070 249 H CA -0.452 55.627 56.048 0.051 0.000 1.257 249 H CB 1.331 31.236 29.762 0.239 0.000 1.393 249 H HN 0.672 nan 8.280 nan 0.000 0.464 250 L N 3.502 124.497 121.223 -0.379 0.000 2.129 250 L HA -0.145 4.196 4.340 0.000 0.000 0.212 250 L C 2.393 178.958 176.870 -0.508 0.000 1.087 250 L CA 1.502 56.009 54.840 -0.556 0.000 0.757 250 L CB -0.297 41.197 42.059 -0.941 0.000 0.896 250 L HN 0.692 nan 8.230 nan 0.000 0.434 251 G N -1.286 107.278 108.800 -0.392 0.000 2.848 251 G HA2 -0.086 3.874 3.960 0.000 0.000 0.208 251 G HA3 -0.086 3.874 3.960 0.000 0.000 0.208 251 G C 1.102 176.385 174.900 0.638 0.000 1.152 251 G CA 0.783 45.992 45.100 0.181 0.000 0.789 251 G HN 0.504 nan 8.290 nan 0.000 0.531 252 S N -2.541 113.539 115.700 0.634 0.000 3.053 252 S HA 0.070 4.540 4.470 0.000 0.000 0.255 252 S C 0.945 175.874 174.600 0.549 0.000 0.976 252 S CA -0.449 58.147 58.200 0.660 0.000 1.159 252 S CB -0.496 63.189 63.200 0.808 0.000 1.110 252 S HN 0.362 nan 8.310 nan 0.000 0.633 253 W N 3.052 124.511 121.300 0.266 0.000 2.408 253 W HA 0.367 5.028 4.660 0.001 0.000 0.311 253 W C 0.628 177.392 176.519 0.408 0.000 1.190 253 W CA 0.838 58.330 57.345 0.245 0.000 1.321 253 W CB 0.210 29.736 29.460 0.111 0.000 1.143 253 W HN 0.155 nan 8.180 nan 0.000 0.501 254 R N 0.212 120.880 120.500 0.280 0.000 2.707 254 R HA 0.392 4.732 4.340 0.000 0.000 0.272 254 R C -0.913 175.456 176.300 0.114 0.000 1.011 254 R CA -0.947 55.176 56.100 0.039 0.000 0.893 254 R CB 2.133 32.240 30.300 -0.322 0.000 1.233 254 R HN -0.291 nan 8.270 nan 0.000 0.464 255 R N 0.689 121.222 120.500 0.055 0.000 2.854 255 R HA 0.345 4.685 4.340 0.000 0.000 0.271 255 R C -0.705 175.565 176.300 -0.050 0.000 0.994 255 R CA -1.096 55.038 56.100 0.055 0.000 0.945 255 R CB 1.235 31.610 30.300 0.126 0.000 1.194 255 R HN 0.652 nan 8.270 nan 0.000 0.476 256 H N 0.152 119.287 119.070 0.108 0.000 2.897 256 H HA -0.034 4.522 4.556 0.000 0.000 0.347 256 H C 1.257 176.588 175.328 0.006 0.000 1.068 256 H CA 1.031 57.104 56.048 0.042 0.000 1.426 256 H CB 0.855 30.635 29.762 0.031 0.000 1.410 256 H HN 0.641 nan 8.280 nan 0.000 0.597 257 T N -0.571 114.040 114.554 0.096 0.000 2.777 257 T HA -0.147 4.203 4.350 0.000 0.000 0.266 257 T C 0.745 175.450 174.700 0.008 0.000 1.040 257 T CA 1.018 63.140 62.100 0.037 0.000 1.141 257 T CB 0.207 69.085 68.868 0.016 0.000 0.868 257 T HN 0.521 nan 8.240 nan 0.000 0.444 258 D N 0.805 121.191 120.400 -0.024 0.000 2.381 258 D HA 0.356 4.996 4.640 0.000 0.000 0.235 258 D C 0.084 176.280 176.300 -0.174 0.000 1.068 258 D CA -0.367 53.588 54.000 -0.076 0.000 0.832 258 D CB 0.874 41.626 40.800 -0.080 0.000 1.101 258 D HN 0.121 nan 8.370 nan 0.000 0.515 259 N N 2.843 121.431 118.700 -0.187 0.000 2.459 259 N HA -0.205 4.535 4.740 0.000 0.000 0.185 259 N C 0.467 175.996 175.510 0.033 0.000 1.661 259 N CA 0.635 53.461 53.050 -0.373 0.000 3.302 259 N CB -0.943 37.145 38.487 -0.665 0.000 1.502 259 N HN 0.517 nan 8.380 nan 0.000 1.128 260 N N 0.458 119.203 118.700 0.075 0.000 2.713 260 N HA -0.181 4.559 4.740 0.000 0.000 0.251 260 N C -0.635 175.014 175.510 0.232 0.000 1.117 260 N CA 1.050 54.181 53.050 0.135 0.000 0.770 260 N CB -1.655 36.877 38.487 0.075 0.000 1.137 260 N HN 0.519 nan 8.380 nan 0.000 0.566 261 F N -0.052 119.908 119.950 0.015 0.000 2.545 261 F HA 0.070 4.597 4.527 0.000 0.000 0.348 261 F C 1.358 177.252 175.800 0.157 0.000 1.163 261 F CA -0.970 57.038 58.000 0.015 0.000 1.331 261 F CB 0.272 39.356 39.000 0.139 0.000 1.138 261 F HN -0.058 nan 8.300 nan 0.000 0.602 262 W N 3.480 124.988 121.300 0.346 0.000 2.148 262 W HA 0.146 4.807 4.660 0.001 0.000 0.347 262 W C -0.066 176.630 176.519 0.295 0.000 1.288 262 W CA -0.790 56.733 57.345 0.297 0.000 1.252 262 W CB -0.031 29.642 29.460 0.355 0.000 1.156 262 W HN 0.211 nan 8.180 nan 0.000 0.580 263 L N 2.804 124.244 121.223 0.361 0.000 2.439 263 L HA 0.079 4.419 4.340 0.000 0.000 0.269 263 L C 1.157 178.163 176.870 0.227 0.000 1.179 263 L CA -0.237 54.733 54.840 0.217 0.000 0.828 263 L CB 0.194 42.290 42.059 0.062 0.000 1.106 263 L HN 0.391 nan 8.230 nan 0.000 0.467 264 S N 0.604 116.440 115.700 0.225 0.000 2.655 264 S HA 0.152 4.622 4.470 0.000 0.000 0.265 264 S C 0.931 175.548 174.600 0.027 0.000 1.240 264 S CA -0.470 57.821 58.200 0.151 0.000 0.986 264 S CB 0.431 63.754 63.200 0.205 0.000 0.985 264 S HN 0.434 nan 8.310 nan 0.000 0.562 265 Y N 0.690 121.060 120.300 0.117 0.000 2.207 265 Y HA -0.051 4.499 4.550 0.001 0.000 0.287 265 Y C 2.801 178.793 175.900 0.153 0.000 1.156 265 Y CA 1.518 59.629 58.100 0.018 0.000 1.182 265 Y CB -0.456 38.120 38.460 0.193 0.000 0.979 265 Y HN 0.590 nan 8.280 nan 0.000 0.521 266 R N 0.061 120.769 120.500 0.347 0.000 2.073 266 R HA -0.127 4.213 4.340 0.000 0.000 0.229 266 R C 2.022 178.488 176.300 0.276 0.000 1.120 266 R CA 1.491 57.780 56.100 0.314 0.000 0.967 266 R CB -0.307 30.060 30.300 0.111 0.000 0.862 266 R HN 0.485 nan 8.270 nan 0.000 0.436 267 E N 0.863 121.188 120.200 0.208 0.000 2.077 267 E HA -0.176 4.175 4.350 0.000 0.000 0.193 267 E C 2.057 178.759 176.600 0.171 0.000 0.989 267 E CA 0.976 57.486 56.400 0.184 0.000 0.800 267 E CB -0.128 29.682 29.700 0.183 0.000 0.746 267 E HN 0.274 nan 8.360 nan 0.000 0.452 268 L N 0.712 122.001 121.223 0.111 0.000 2.083 268 L HA -0.159 4.182 4.340 0.000 0.000 0.209 268 L C 2.584 179.641 176.870 0.311 0.000 1.083 268 L CA 0.874 55.743 54.840 0.048 0.000 0.752 268 L CB -0.429 41.417 42.059 -0.354 0.000 0.899 268 L HN 0.143 nan 8.230 nan 0.000 0.433 269 A N -0.196 122.911 122.820 0.478 0.000 1.940 269 A HA -0.224 4.096 4.320 0.000 0.000 0.219 269 A C 1.818 179.554 177.584 0.254 0.000 1.176 269 A CA 2.036 54.342 52.037 0.448 0.000 0.631 269 A CB -0.391 18.906 19.000 0.495 0.000 0.814 269 A HN 0.384 nan 8.150 nan 0.000 0.446 270 D N -1.308 119.236 120.400 0.239 0.000 2.348 270 D HA 0.015 4.656 4.640 0.000 0.000 0.211 270 D C 1.878 178.272 176.300 0.158 0.000 0.998 270 D CA 0.810 54.916 54.000 0.177 0.000 0.873 270 D CB 0.101 41.000 40.800 0.165 0.000 0.925 270 D HN 0.682 nan 8.370 nan 0.000 0.524 271 Q N -0.651 119.257 119.800 0.181 0.000 2.586 271 Q HA 0.116 4.457 4.340 0.000 0.000 0.243 271 Q C 1.776 177.916 176.000 0.234 0.000 0.846 271 Q CA -0.196 55.737 55.803 0.218 0.000 0.959 271 Q CB 0.308 29.200 28.738 0.257 0.000 1.227 271 Q HN 0.034 nan 8.270 nan 0.000 0.611 272 L N 0.991 122.223 121.223 0.014 0.000 2.072 272 L HA -0.043 4.298 4.340 0.000 0.000 0.205 272 L C 1.991 178.884 176.870 0.038 0.000 1.079 272 L CA 1.431 56.059 54.840 -0.354 0.000 0.752 272 L CB -0.429 41.237 42.059 -0.654 0.000 0.906 272 L HN -0.025 nan 8.230 nan 0.000 0.436 273 V N 0.753 120.727 119.914 0.100 0.000 2.270 273 V HA -0.124 3.996 4.120 0.000 0.000 0.245 273 V C -0.105 176.060 176.094 0.117 0.000 1.043 273 V CA 2.065 64.403 62.300 0.064 0.000 1.014 273 V CB -1.723 30.080 31.823 -0.033 0.000 0.645 273 V HN 0.353 nan 8.190 nan 0.000 0.447 274 P HA -0.183 nan 4.420 nan 0.000 0.219 274 P C 1.452 178.908 177.300 0.260 0.000 1.146 274 P CA 1.451 64.654 63.100 0.171 0.000 0.808 274 P CB -0.087 31.697 31.700 0.141 0.000 0.779 275 Y N 0.593 121.004 120.300 0.184 0.000 2.243 275 Y HA 0.012 4.562 4.550 0.000 0.000 0.293 275 Y C 2.386 178.436 175.900 0.250 0.000 1.124 275 Y CA 1.538 59.795 58.100 0.262 0.000 1.159 275 Y CB -0.820 37.855 38.460 0.358 0.000 1.008 275 Y HN -0.123 nan 8.280 nan 0.000 0.527 276 A N 0.503 123.481 122.820 0.263 0.000 1.969 276 A HA -0.177 4.143 4.320 0.000 0.000 0.218 276 A C 2.221 179.902 177.584 0.161 0.000 1.169 276 A CA 1.820 53.940 52.037 0.140 0.000 0.635 276 A CB -0.709 18.392 19.000 0.169 0.000 0.810 276 A HN 0.552 nan 8.150 nan 0.000 0.445 277 K N -1.128 119.359 120.400 0.145 0.000 2.025 277 K HA -0.177 4.144 4.320 0.000 0.000 0.207 277 K C 2.017 178.681 176.600 0.106 0.000 1.049 277 K CA 1.341 57.699 56.287 0.118 0.000 0.933 277 K CB -0.436 32.132 32.500 0.114 0.000 0.714 277 K HN 0.674 nan 8.250 nan 0.000 0.438 278 W N 0.969 122.244 121.300 -0.042 0.000 2.318 278 W HA -0.258 4.402 4.660 0.001 0.000 0.313 278 W C 1.414 177.856 176.519 -0.128 0.000 1.221 278 W CA 1.284 58.585 57.345 -0.073 0.000 1.266 278 W CB -0.090 29.332 29.460 -0.064 0.000 1.150 278 W HN 0.184 nan 8.180 nan 0.000 0.496 279 M N 0.443 119.953 119.600 -0.151 0.000 2.549 279 M HA -0.001 4.479 4.480 0.000 0.000 0.260 279 M C 1.831 177.902 176.300 -0.382 0.000 1.076 279 M CA 1.782 56.909 55.300 -0.288 0.000 1.090 279 M CB -1.773 30.699 32.600 -0.214 0.000 1.418 279 M HN 0.310 nan 8.290 nan 0.000 0.486 280 G N 0.330 108.984 108.800 -0.244 0.000 2.132 280 G HA2 -0.249 3.711 3.960 0.000 0.000 0.234 280 G HA3 -0.249 3.711 3.960 0.000 0.000 0.234 280 G C -0.051 174.744 174.900 -0.174 0.000 0.989 280 G CA -0.382 44.589 45.100 -0.215 0.000 0.676 280 G HN 0.389 nan 8.290 nan 0.000 0.522 281 F N 0.605 120.570 119.950 0.026 0.000 2.450 281 F HA 0.437 4.963 4.527 -0.001 0.000 0.339 281 F C 2.078 177.941 175.800 0.104 0.000 1.146 281 F CA 0.797 58.862 58.000 0.108 0.000 1.267 281 F CB 1.116 40.185 39.000 0.116 0.000 1.178 281 F HN 0.104 nan 8.300 nan 0.000 0.585 282 T N -2.845 111.920 114.554 0.351 0.000 3.037 282 T HA 0.152 4.502 4.350 0.000 0.000 0.252 282 T C 0.302 175.089 174.700 0.144 0.000 1.073 282 T CA 0.399 62.637 62.100 0.230 0.000 1.091 282 T CB -0.212 68.846 68.868 0.316 0.000 0.935 282 T HN 0.515 nan 8.240 nan 0.000 0.488 283 H N -0.316 118.855 119.070 0.168 0.000 2.851 283 H HA 0.595 5.151 4.556 -0.000 0.000 0.372 283 H C -1.734 173.663 175.328 0.116 0.000 1.158 283 H CA -1.042 55.073 56.048 0.112 0.000 1.159 283 H CB 2.378 32.190 29.762 0.084 0.000 1.757 283 H HN 0.028 nan 8.280 nan 0.000 0.546 284 L N 2.175 123.504 121.223 0.177 0.000 2.305 284 L HA 0.238 4.578 4.340 0.000 0.000 0.284 284 L C -0.042 176.897 176.870 0.116 0.000 1.013 284 L CA -0.207 54.706 54.840 0.121 0.000 0.819 284 L CB 1.421 43.513 42.059 0.056 0.000 1.227 284 L HN 0.641 nan 8.230 nan 0.000 0.417 285 E N 4.930 125.185 120.200 0.091 0.000 2.133 285 E HA 0.451 4.801 4.350 0.000 0.000 0.274 285 E C -1.451 175.191 176.600 0.069 0.000 0.930 285 E CA -0.570 55.895 56.400 0.107 0.000 0.770 285 E CB 0.896 30.690 29.700 0.156 0.000 1.104 285 E HN 0.590 nan 8.360 nan 0.000 0.403 286 L N 5.138 126.406 121.223 0.074 0.000 2.275 286 L HA 0.309 4.650 4.340 0.000 0.000 0.288 286 L C -0.143 176.739 176.870 0.019 0.000 1.046 286 L CA -0.994 53.871 54.840 0.042 0.000 0.805 286 L CB 0.654 42.757 42.059 0.074 0.000 1.193 286 L HN 0.497 nan 8.230 nan 0.000 0.426 287 L N 5.122 126.351 121.223 0.010 0.000 2.499 287 L HA 0.086 4.426 4.340 0.000 0.000 0.281 287 L C -1.884 174.911 176.870 -0.124 0.000 1.234 287 L CA -0.650 54.168 54.840 -0.036 0.000 0.839 287 L CB -0.494 41.589 42.059 0.040 0.000 1.104 287 L HN 0.371 nan 8.230 nan 0.000 0.500 288 P HA -0.074 nan 4.420 nan 0.000 0.263 288 P C 0.055 177.235 177.300 -0.200 0.000 1.175 288 P CA 0.304 63.234 63.100 -0.282 0.000 0.761 288 P CB 0.275 31.724 31.700 -0.419 0.000 0.794 289 I N -0.485 119.939 120.570 -0.243 0.000 4.018 289 I HA 0.195 4.365 4.170 0.000 0.000 0.337 289 I C 0.156 176.182 176.117 -0.152 0.000 1.327 289 I CA -0.897 60.281 61.300 -0.204 0.000 1.100 289 I CB -1.621 36.140 38.000 -0.398 0.000 1.025 289 I HN 0.056 nan 8.210 nan 0.000 0.396 290 N N 1.827 120.466 118.700 -0.100 0.000 2.395 290 N HA -0.025 4.715 4.740 0.000 0.000 0.246 290 N C 0.159 175.760 175.510 0.152 0.000 1.246 290 N CA -0.065 53.038 53.050 0.089 0.000 0.879 290 N CB 0.274 38.844 38.487 0.138 0.000 1.098 290 N HN 0.242 nan 8.380 nan 0.000 0.444 291 E N 0.777 121.049 120.200 0.120 0.000 2.465 291 E HA -0.028 4.322 4.350 0.000 0.000 0.260 291 E C -0.614 176.040 176.600 0.091 0.000 0.980 291 E CA 0.302 56.724 56.400 0.037 0.000 0.927 291 E CB 0.048 29.753 29.700 0.008 0.000 0.934 291 E HN 0.724 nan 8.360 nan 0.000 0.459 292 H N 3.256 122.282 119.070 -0.074 0.000 2.954 292 H HA 0.294 4.850 4.556 0.001 0.000 0.361 292 H C -2.557 172.697 175.328 -0.123 0.000 1.122 292 H CA -2.098 53.909 56.048 -0.067 0.000 1.217 292 H CB 1.616 31.362 29.762 -0.027 0.000 1.776 292 H HN 0.325 nan 8.280 nan 0.000 0.533 293 P HA 0.111 nan 4.420 nan 0.000 0.230 293 P C -0.306 176.663 177.300 -0.552 0.000 1.168 293 P CA 0.423 63.250 63.100 -0.454 0.000 0.793 293 P CB 0.387 31.703 31.700 -0.639 0.000 0.851 294 F N 0.357 120.371 119.950 0.107 0.000 2.477 294 F HA 0.249 4.776 4.527 0.000 0.000 0.335 294 F C 1.252 177.181 175.800 0.215 0.000 1.130 294 F CA -0.909 57.162 58.000 0.119 0.000 0.948 294 F CB 1.411 40.449 39.000 0.065 0.000 1.154 294 F HN -0.352 nan 8.300 nan 0.000 0.439 295 D N 2.490 123.135 120.400 0.408 0.000 2.133 295 D HA -0.156 4.484 4.640 0.000 0.000 0.195 295 D C 2.291 178.760 176.300 0.282 0.000 0.997 295 D CA 1.538 55.811 54.000 0.456 0.000 0.840 295 D CB -0.286 40.847 40.800 0.554 0.000 0.947 295 D HN 0.795 nan 8.370 nan 0.000 0.452 296 G N 0.207 109.057 108.800 0.083 0.000 2.559 296 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 296 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 296 G C 1.572 176.151 174.900 -0.535 0.000 1.126 296 G CA 1.100 45.987 45.100 -0.355 0.000 0.778 296 G HN 0.411 nan 8.290 nan 0.000 0.543 297 S N -1.083 114.483 115.700 -0.222 0.000 2.489 297 S HA -0.050 4.420 4.470 0.000 0.000 0.228 297 S C 1.283 175.751 174.600 -0.220 0.000 0.995 297 S CA 0.855 58.872 58.200 -0.305 0.000 0.934 297 S CB -0.480 62.685 63.200 -0.058 0.000 0.771 297 S HN 0.649 nan 8.310 nan 0.000 0.522 298 W N 0.279 121.577 121.300 -0.003 0.000 2.589 298 W HA -0.212 4.448 4.660 -0.000 0.000 0.272 298 W C 1.288 177.668 176.519 -0.231 0.000 1.060 298 W CA 0.399 57.781 57.345 0.061 0.000 0.533 298 W CB -2.430 27.126 29.460 0.160 0.000 2.084 298 W HN 1.057 nan 8.180 nan 0.000 1.371 299 G N -2.184 106.287 108.800 -0.550 0.000 2.218 299 G HA2 -0.361 3.599 3.960 0.000 0.000 0.216 299 G HA3 -0.361 3.599 3.960 0.000 0.000 0.216 299 G C 0.449 175.000 174.900 -0.583 0.000 0.994 299 G CA 0.205 44.681 45.100 -1.039 0.000 0.637 299 G HN 0.358 nan 8.290 nan 0.000 0.505 300 Y N 0.953 121.140 120.300 -0.189 0.000 2.578 300 Y HA 0.343 4.893 4.550 -0.000 0.000 0.297 300 Y C 1.837 177.588 175.900 -0.248 0.000 1.176 300 Y CA 1.188 59.164 58.100 -0.206 0.000 1.315 300 Y CB 0.517 38.797 38.460 -0.299 0.000 1.031 300 Y HN 0.318 nan 8.280 nan 0.000 0.524 301 Q N 1.724 121.490 119.800 -0.057 0.000 2.700 301 Q HA 0.241 4.581 4.340 0.000 0.000 0.249 301 Q C -2.605 173.435 176.000 0.067 0.000 1.033 301 Q CA -2.246 53.567 55.803 0.017 0.000 0.804 301 Q CB 1.338 30.098 28.738 0.036 0.000 1.164 301 Q HN 0.044 nan 8.270 nan 0.000 0.500 302 P HA 0.139 nan 4.420 nan 0.000 0.279 302 P C 0.173 177.508 177.300 0.058 0.000 1.252 302 P CA -0.205 62.944 63.100 0.081 0.000 0.811 302 P CB 1.607 33.348 31.700 0.069 0.000 1.035 303 T N -3.305 111.283 114.554 0.057 0.000 2.954 303 T HA 0.347 4.698 4.350 0.000 0.000 0.252 303 T C 0.850 175.571 174.700 0.034 0.000 0.983 303 T CA 0.009 62.125 62.100 0.026 0.000 0.941 303 T CB -0.167 68.709 68.868 0.012 0.000 1.141 303 T HN 0.544 nan 8.240 nan 0.000 0.500 304 G N 1.195 110.034 108.800 0.065 0.000 2.883 304 G HA2 0.554 4.515 3.960 0.000 0.000 0.285 304 G HA3 0.554 4.515 3.960 0.000 0.000 0.285 304 G C 0.097 175.078 174.900 0.136 0.000 1.526 304 G CA -0.533 44.624 45.100 0.094 0.000 1.062 304 G HN 0.104 nan 8.290 nan 0.000 0.550 305 L N 1.548 122.851 121.223 0.133 0.000 2.191 305 L HA 0.064 4.404 4.340 0.000 0.000 0.212 305 L C 1.677 178.547 176.870 -0.000 0.000 1.103 305 L CA 1.489 56.369 54.840 0.066 0.000 0.769 305 L CB -0.463 41.523 42.059 -0.121 0.000 0.908 305 L HN 0.687 nan 8.230 nan 0.000 0.438 306 Y N -1.549 118.729 120.300 -0.037 0.000 2.507 306 Y HA 0.508 5.058 4.550 0.000 0.000 0.254 306 Y C 0.776 176.708 175.900 0.053 0.000 1.171 306 Y CA -0.166 57.791 58.100 -0.239 0.000 1.238 306 Y CB 0.138 38.374 38.460 -0.373 0.000 1.148 306 Y HN -0.011 nan 8.280 nan 0.000 0.525 307 A N 1.257 124.252 122.820 0.292 0.000 2.291 307 A HA 0.600 4.920 4.320 0.000 0.000 0.311 307 A C -2.807 174.945 177.584 0.280 0.000 1.224 307 A CA -1.885 50.328 52.037 0.294 0.000 0.821 307 A CB 0.485 19.603 19.000 0.196 0.000 1.172 307 A HN -0.122 nan 8.150 nan 0.000 0.494 308 P HA 0.141 nan 4.420 nan 0.000 0.271 308 P C 0.461 177.788 177.300 0.045 0.000 1.216 308 P CA 0.150 63.270 63.100 0.034 0.000 0.776 308 P CB 0.547 32.120 31.700 -0.212 0.000 0.881 309 T N 1.778 116.320 114.554 -0.019 0.000 2.946 309 T HA -0.044 4.306 4.350 0.000 0.000 0.311 309 T C 1.250 175.882 174.700 -0.113 0.000 1.063 309 T CA 0.135 62.163 62.100 -0.121 0.000 1.139 309 T CB -0.001 68.688 68.868 -0.298 0.000 0.994 309 T HN 0.255 nan 8.240 nan 0.000 0.547 310 R N 2.309 122.699 120.500 -0.183 0.000 2.310 310 R HA 0.248 4.589 4.340 0.000 0.000 0.202 310 R C 2.296 178.408 176.300 -0.315 0.000 0.933 310 R CA 0.715 56.738 56.100 -0.128 0.000 1.054 310 R CB -0.124 30.135 30.300 -0.069 0.000 0.985 310 R HN 0.673 nan 8.270 nan 0.000 0.489 311 R N -0.968 119.108 120.500 -0.706 0.000 2.103 311 R HA -0.135 4.205 4.340 0.000 0.000 0.242 311 R C 0.678 176.424 176.300 -0.923 0.000 1.142 311 R CA 1.916 57.342 56.100 -1.124 0.000 0.960 311 R CB -0.213 28.705 30.300 -2.302 0.000 0.858 311 R HN 0.263 nan 8.270 nan 0.000 0.439 312 F N -0.647 119.005 119.950 -0.496 0.000 2.639 312 F HA 0.399 4.926 4.527 0.000 0.000 0.302 312 F C 1.070 176.676 175.800 -0.323 0.000 1.097 312 F CA -0.029 57.598 58.000 -0.622 0.000 1.294 312 F CB 1.154 39.355 39.000 -1.332 0.000 1.027 312 F HN 0.167 nan 8.300 nan 0.000 0.550 313 G N 0.532 109.390 108.800 0.097 0.000 2.298 313 G HA2 0.119 4.079 3.960 0.000 0.000 0.309 313 G HA3 0.119 4.079 3.960 0.000 0.000 0.309 313 G C -0.494 174.634 174.900 0.379 0.000 1.279 313 G CA -0.583 44.696 45.100 0.297 0.000 1.042 313 G HN 0.216 nan 8.290 nan 0.000 0.480 314 T N -2.177 112.583 114.554 0.345 0.000 2.849 314 T HA 0.563 4.913 4.350 0.000 0.000 0.276 314 T C 1.695 176.581 174.700 0.310 0.000 0.971 314 T CA 0.750 63.018 62.100 0.280 0.000 0.949 314 T CB 1.461 70.456 68.868 0.212 0.000 1.093 314 T HN 1.395 nan 8.240 nan 0.000 0.545 315 R N 0.250 120.929 120.500 0.299 0.000 2.148 315 R HA 0.003 4.343 4.340 0.000 0.000 0.227 315 R C 1.372 177.902 176.300 0.383 0.000 1.103 315 R CA 1.603 57.938 56.100 0.391 0.000 0.983 315 R CB -0.928 29.653 30.300 0.469 0.000 0.874 315 R HN 0.632 nan 8.270 nan 0.000 0.451 316 D N 1.074 121.628 120.400 0.257 0.000 2.149 316 D HA -0.112 4.529 4.640 0.000 0.000 0.201 316 D C 0.953 177.384 176.300 0.218 0.000 0.972 316 D CA 1.198 55.314 54.000 0.194 0.000 0.835 316 D CB -0.219 40.664 40.800 0.138 0.000 0.966 316 D HN 0.275 nan 8.370 nan 0.000 0.476 317 D N 0.596 121.137 120.400 0.235 0.000 2.116 317 D HA -0.177 4.463 4.640 0.000 0.000 0.193 317 D C 1.849 178.295 176.300 0.243 0.000 0.998 317 D CA 0.593 54.765 54.000 0.286 0.000 0.836 317 D CB -0.546 40.497 40.800 0.405 0.000 0.951 317 D HN 0.178 nan 8.370 nan 0.000 0.449 318 F N 1.814 121.607 119.950 -0.261 0.000 2.134 318 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 318 F C 2.253 178.091 175.800 0.063 0.000 1.097 318 F CA 1.106 58.787 58.000 -0.532 0.000 1.264 318 F CB -0.066 38.504 39.000 -0.718 0.000 1.001 318 F HN -0.237 nan 8.300 nan 0.000 0.479 319 R N -0.316 120.244 120.500 0.101 0.000 2.091 319 R HA -0.246 4.094 4.340 0.000 0.000 0.238 319 R C 2.229 178.494 176.300 -0.058 0.000 1.136 319 R CA 1.950 58.044 56.100 -0.009 0.000 0.959 319 R CB -1.652 28.654 30.300 0.011 0.000 0.856 319 R HN 0.496 nan 8.270 nan 0.000 0.437 320 Y N 0.099 120.383 120.300 -0.028 0.000 2.165 320 Y HA -0.276 4.275 4.550 0.001 0.000 0.286 320 Y C 2.149 178.054 175.900 0.009 0.000 1.155 320 Y CA 2.082 60.186 58.100 0.006 0.000 1.164 320 Y CB -0.664 37.844 38.460 0.080 0.000 0.978 320 Y HN 0.107 nan 8.280 nan 0.000 0.513 321 F N 0.052 119.996 119.950 -0.011 0.000 2.069 321 F HA -0.293 4.234 4.527 0.001 0.000 0.298 321 F C 1.991 177.599 175.800 -0.321 0.000 1.113 321 F CA 1.607 59.543 58.000 -0.107 0.000 1.214 321 F CB -0.368 38.653 39.000 0.034 0.000 0.978 321 F HN 0.004 nan 8.300 nan 0.000 0.474 322 I N 1.165 121.385 120.570 -0.583 0.000 2.091 322 I HA -0.344 3.826 4.170 0.000 0.000 0.239 322 I C 2.125 177.777 176.117 -0.774 0.000 1.061 322 I CA 1.638 62.475 61.300 -0.772 0.000 1.317 322 I CB -1.715 35.890 38.000 -0.659 0.000 1.031 322 I HN 0.223 nan 8.210 nan 0.000 0.401 323 D N 1.013 121.098 120.400 -0.525 0.000 2.158 323 D HA -0.179 4.462 4.640 0.000 0.000 0.197 323 D C 2.216 178.286 176.300 -0.385 0.000 0.995 323 D CA 1.733 55.505 54.000 -0.380 0.000 0.846 323 D CB -0.156 40.477 40.800 -0.278 0.000 0.941 323 D HN 0.402 nan 8.370 nan 0.000 0.456 324 A N 1.071 123.591 122.820 -0.500 0.000 1.898 324 A HA 0.018 4.338 4.320 0.000 0.000 0.216 324 A C 2.364 179.745 177.584 -0.338 0.000 1.181 324 A CA 2.057 53.852 52.037 -0.404 0.000 0.620 324 A CB -0.655 18.108 19.000 -0.396 0.000 0.819 324 A HN 0.241 nan 8.150 nan 0.000 0.442 325 A N -0.421 122.100 122.820 -0.498 0.000 1.865 325 A HA -0.220 4.100 4.320 0.000 0.000 0.217 325 A C 1.918 179.384 177.584 -0.196 0.000 1.191 325 A CA 1.776 53.569 52.037 -0.407 0.000 0.623 325 A CB -1.177 17.474 19.000 -0.581 0.000 0.826 325 A HN 0.756 nan 8.150 nan 0.000 0.444 326 H N -0.810 118.109 119.070 -0.252 0.000 2.352 326 H HA -0.082 4.475 4.556 0.001 0.000 0.299 326 H C 2.400 177.635 175.328 -0.154 0.000 1.097 326 H CA 0.806 56.740 56.048 -0.190 0.000 1.311 326 H CB -0.008 29.646 29.762 -0.180 0.000 1.377 326 H HN 0.573 nan 8.280 nan 0.000 0.504 327 A N 0.847 123.642 122.820 -0.041 0.000 2.066 327 A HA 0.083 4.403 4.320 0.000 0.000 0.218 327 A C 2.269 179.825 177.584 -0.046 0.000 1.157 327 A CA 0.996 53.001 52.037 -0.054 0.000 0.670 327 A CB -0.325 18.627 19.000 -0.081 0.000 0.804 327 A HN 0.443 nan 8.150 nan 0.000 0.453 328 A N -1.341 121.447 122.820 -0.054 0.000 2.278 328 A HA 0.431 4.752 4.320 0.000 0.000 0.212 328 A C 1.603 179.174 177.584 -0.021 0.000 1.213 328 A CA 0.929 52.950 52.037 -0.028 0.000 0.840 328 A CB -1.058 17.927 19.000 -0.025 0.000 0.866 328 A HN 1.781 nan 8.150 nan 0.000 0.489 329 G N -0.773 108.007 108.800 -0.033 0.000 2.221 329 G HA2 -0.220 3.740 3.960 0.000 0.000 0.265 329 G HA3 -0.220 3.740 3.960 0.000 0.000 0.265 329 G C -0.089 174.781 174.900 -0.051 0.000 1.041 329 G CA 0.518 45.593 45.100 -0.043 0.000 0.807 329 G HN 0.481 nan 8.290 nan 0.000 0.502 330 L N -0.066 121.128 121.223 -0.049 0.000 2.325 330 L HA 0.424 4.764 4.340 0.000 0.000 0.278 330 L C 0.721 177.537 176.870 -0.088 0.000 1.023 330 L CA -0.898 53.899 54.840 -0.072 0.000 0.811 330 L CB 1.294 43.322 42.059 -0.051 0.000 1.249 330 L HN 0.152 nan 8.230 nan 0.000 0.431 331 N N 0.788 119.332 118.700 -0.260 0.000 2.515 331 N HA 0.416 5.157 4.740 0.000 0.000 0.279 331 N C -1.165 174.282 175.510 -0.105 0.000 1.164 331 N CA -0.529 52.366 53.050 -0.257 0.000 0.982 331 N CB 2.159 40.254 38.487 -0.653 0.000 1.170 331 N HN 0.161 nan 8.380 nan 0.000 0.474 332 V N 3.197 123.122 119.914 0.018 0.000 2.448 332 V HA 0.432 4.552 4.120 0.000 0.000 0.295 332 V C 0.040 176.192 176.094 0.096 0.000 1.025 332 V CA -0.615 61.704 62.300 0.031 0.000 0.859 332 V CB 1.439 33.221 31.823 -0.067 0.000 0.988 332 V HN 0.505 nan 8.190 nan 0.000 0.431 333 I N 5.360 126.007 120.570 0.129 0.000 2.412 333 I HA 0.442 4.612 4.170 0.000 0.000 0.296 333 I C -0.805 175.368 176.117 0.094 0.000 0.987 333 I CA -0.743 60.637 61.300 0.134 0.000 1.180 333 I CB 1.812 39.914 38.000 0.171 0.000 1.340 333 I HN 0.361 nan 8.210 nan 0.000 0.455 334 L N 5.616 126.875 121.223 0.060 0.000 2.313 334 L HA 0.466 4.806 4.340 0.000 0.000 0.283 334 L C -0.694 176.210 176.870 0.057 0.000 1.013 334 L CA -0.243 54.595 54.840 -0.003 0.000 0.816 334 L CB 1.207 43.175 42.059 -0.150 0.000 1.236 334 L HN 0.385 nan 8.230 nan 0.000 0.419 335 D N 4.010 124.443 120.400 0.055 0.000 2.401 335 D HA 0.141 4.782 4.640 0.000 0.000 0.254 335 D C -1.188 175.193 176.300 0.135 0.000 1.192 335 D CA 0.667 54.736 54.000 0.115 0.000 0.885 335 D CB 0.247 41.097 40.800 0.084 0.000 1.147 335 D HN 0.453 nan 8.370 nan 0.000 0.478 336 W N 3.766 125.073 121.300 0.011 0.000 2.606 336 W HA 0.468 5.128 4.660 0.000 0.000 0.332 336 W C -0.862 175.725 176.519 0.113 0.000 1.052 336 W CA -1.276 56.078 57.345 0.016 0.000 1.223 336 W CB 1.210 30.706 29.460 0.059 0.000 1.383 336 W HN 0.125 nan 8.180 nan 0.000 0.524 337 V N 5.533 125.249 119.914 -0.329 0.000 2.271 337 V HA 0.433 4.553 4.120 0.000 0.000 0.259 337 V C -2.032 173.835 176.094 -0.378 0.000 1.030 337 V CA -1.487 60.702 62.300 -0.185 0.000 0.957 337 V CB 0.756 32.646 31.823 0.111 0.000 1.186 337 V HN 0.551 nan 8.190 nan 0.000 0.471 338 P HA 0.217 nan 4.420 nan 0.000 0.251 338 P C 1.334 178.597 177.300 -0.061 0.000 1.223 338 P CA 0.990 63.797 63.100 -0.488 0.000 0.796 338 P CB 0.582 31.856 31.700 -0.710 0.000 1.068 339 G N -1.132 107.599 108.800 -0.115 0.000 2.838 339 G HA2 -0.033 3.928 3.960 0.000 0.000 0.210 339 G HA3 -0.033 3.928 3.960 0.000 0.000 0.210 339 G C -0.102 174.718 174.900 -0.132 0.000 1.153 339 G CA 0.088 45.125 45.100 -0.105 0.000 0.778 339 G HN 0.366 nan 8.290 nan 0.000 0.539 340 H N -0.672 118.524 119.070 0.210 0.000 2.673 340 H HA 0.367 4.924 4.556 0.001 0.000 0.293 340 H C -1.098 174.320 175.328 0.151 0.000 1.065 340 H CA -0.972 55.179 56.048 0.172 0.000 1.236 340 H CB 1.106 30.948 29.762 0.135 0.000 1.389 340 H HN 0.089 nan 8.280 nan 0.000 0.481 341 F N 4.534 124.486 119.950 0.004 0.000 2.529 341 F HA 0.172 4.699 4.527 -0.000 0.000 0.365 341 F C -1.913 173.824 175.800 -0.106 0.000 1.102 341 F CA -2.189 55.631 58.000 -0.299 0.000 1.271 341 F CB 0.658 39.358 39.000 -0.499 0.000 1.120 341 F HN 0.366 nan 8.300 nan 0.000 0.579 342 P HA -0.014 nan 4.420 nan 0.000 0.260 342 P C 0.175 177.504 177.300 0.048 0.000 1.185 342 P CA 0.548 63.532 63.100 -0.193 0.000 0.763 342 P CB 0.549 32.040 31.700 -0.348 0.000 0.776 343 T N -1.641 112.967 114.554 0.090 0.000 2.990 343 T HA 0.106 4.456 4.350 0.000 0.000 0.249 343 T C 0.449 175.201 174.700 0.087 0.000 1.039 343 T CA 0.001 62.157 62.100 0.093 0.000 1.036 343 T CB -0.002 68.912 68.868 0.077 0.000 0.994 343 T HN 0.182 nan 8.240 nan 0.000 0.489 344 D N 2.514 122.996 120.400 0.137 0.000 2.387 344 D HA 0.155 4.795 4.640 0.000 0.000 0.251 344 D C 0.002 176.443 176.300 0.235 0.000 1.141 344 D CA -0.222 53.903 54.000 0.209 0.000 0.987 344 D CB 0.583 41.518 40.800 0.225 0.000 1.116 344 D HN 0.188 nan 8.370 nan 0.000 0.491 345 D N 0.227 120.807 120.400 0.299 0.000 2.903 345 D HA -0.276 4.364 4.640 0.000 0.000 0.228 345 D C 0.193 176.757 176.300 0.440 0.000 1.178 345 D CA 0.610 54.773 54.000 0.272 0.000 0.740 345 D CB -1.579 39.263 40.800 0.070 0.000 1.077 345 D HN 0.554 nan 8.370 nan 0.000 0.419 346 F N -2.608 117.367 119.950 0.041 0.000 3.004 346 F HA -0.327 4.200 4.527 0.000 0.000 0.264 346 F C 1.918 177.752 175.800 0.058 0.000 0.979 346 F CA -0.065 57.966 58.000 0.051 0.000 0.896 346 F CB -1.815 37.202 39.000 0.029 0.000 0.813 346 F HN 0.269 nan 8.300 nan 0.000 0.804 347 A N -0.118 122.826 122.820 0.207 0.000 1.902 347 A HA -0.008 4.312 4.320 0.000 0.000 0.217 347 A C 1.877 179.548 177.584 0.145 0.000 1.181 347 A CA 2.117 54.233 52.037 0.132 0.000 0.623 347 A CB -0.092 18.936 19.000 0.048 0.000 0.818 347 A HN 0.498 nan 8.150 nan 0.000 0.443 348 L N -2.952 118.321 121.223 0.084 0.000 3.076 348 L HA 0.492 4.832 4.340 0.000 0.000 0.271 348 L C 1.039 178.090 176.870 0.303 0.000 1.152 348 L CA 0.781 55.633 54.840 0.021 0.000 0.996 348 L CB 0.036 41.803 42.059 -0.486 0.000 1.453 348 L HN 0.254 nan 8.230 nan 0.000 0.571 349 A N 0.331 123.360 122.820 0.349 0.000 2.511 349 A HA 0.241 4.561 4.320 0.000 0.000 0.242 349 A C 0.673 178.384 177.584 0.212 0.000 1.069 349 A CA 0.340 52.561 52.037 0.306 0.000 0.763 349 A CB -0.346 18.729 19.000 0.124 0.000 1.001 349 A HN 0.428 nan 8.150 nan 0.000 0.498 350 E N 0.503 120.799 120.200 0.159 0.000 2.328 350 E HA -0.272 4.078 4.350 0.000 0.000 0.233 350 E C 0.161 176.848 176.600 0.145 0.000 1.219 350 E CA 0.575 57.041 56.400 0.110 0.000 0.717 350 E CB -1.460 28.268 29.700 0.047 0.000 1.210 350 E HN 0.759 nan 8.360 nan 0.000 0.381 351 F N 1.703 121.715 119.950 0.103 0.000 2.087 351 F HA -0.235 4.293 4.527 0.001 0.000 0.299 351 F C 1.987 177.803 175.800 0.026 0.000 1.100 351 F CA 2.291 60.347 58.000 0.093 0.000 1.226 351 F CB 0.225 39.339 39.000 0.191 0.000 0.983 351 F HN 0.237 nan 8.300 nan 0.000 0.479 352 D N -1.512 118.916 120.400 0.047 0.000 2.525 352 D HA 0.234 4.874 4.640 0.000 0.000 0.229 352 D C 1.472 177.737 176.300 -0.058 0.000 1.202 352 D CA 0.523 54.483 54.000 -0.067 0.000 0.828 352 D CB -0.189 40.598 40.800 -0.022 0.000 1.008 352 D HN 0.421 nan 8.370 nan 0.000 0.493 353 G N 0.007 108.781 108.800 -0.043 0.000 2.179 353 G HA2 -0.265 3.696 3.960 0.000 0.000 0.260 353 G HA3 -0.265 3.696 3.960 0.000 0.000 0.260 353 G C 0.466 175.360 174.900 -0.009 0.000 0.977 353 G CA 0.664 45.749 45.100 -0.024 0.000 0.641 353 G HN 0.904 nan 8.290 nan 0.000 0.533 354 T N -2.386 112.165 114.554 -0.005 0.000 2.888 354 T HA 0.582 4.932 4.350 0.000 0.000 0.288 354 T C -0.179 174.525 174.700 0.006 0.000 1.063 354 T CA -0.229 61.866 62.100 -0.008 0.000 1.010 354 T CB 1.375 70.230 68.868 -0.023 0.000 1.214 354 T HN 0.182 nan 8.240 nan 0.000 0.533 355 N N 1.397 120.092 118.700 -0.007 0.000 2.466 355 N HA 0.241 4.981 4.740 0.000 0.000 0.263 355 N C 0.800 176.307 175.510 -0.005 0.000 1.178 355 N CA -0.337 52.708 53.050 -0.009 0.000 0.983 355 N CB 0.502 38.965 38.487 -0.040 0.000 1.331 355 N HN 0.415 nan 8.380 nan 0.000 0.500 356 L N 1.409 122.665 121.223 0.054 0.000 2.185 356 L HA 0.026 4.366 4.340 0.000 0.000 0.198 356 L C 0.762 177.646 176.870 0.024 0.000 1.079 356 L CA 1.096 55.920 54.840 -0.026 0.000 0.780 356 L CB 0.038 42.070 42.059 -0.044 0.000 0.955 356 L HN 0.586 nan 8.230 nan 0.000 0.462 357 Y N -0.030 120.367 120.300 0.162 0.000 2.503 357 Y HA 0.027 4.577 4.550 -0.000 0.000 0.278 357 Y C 1.156 177.162 175.900 0.177 0.000 1.111 357 Y CA -0.280 57.989 58.100 0.282 0.000 1.270 357 Y CB 0.480 39.165 38.460 0.374 0.000 1.063 357 Y HN 0.237 nan 8.280 nan 0.000 0.548 358 E N -0.374 119.855 120.200 0.048 0.000 2.263 358 E HA 0.148 4.498 4.350 0.000 0.000 0.264 358 E C -1.063 175.397 176.600 -0.234 0.000 0.923 358 E CA -0.683 55.505 56.400 -0.353 0.000 0.802 358 E CB 0.685 29.787 29.700 -0.997 0.000 1.228 358 E HN 0.132 nan 8.360 nan 0.000 0.417 359 H N 1.095 120.039 119.070 -0.211 0.000 2.764 359 H HA 0.066 4.622 4.556 -0.000 0.000 0.341 359 H C 0.632 175.890 175.328 -0.116 0.000 1.072 359 H CA 0.474 56.451 56.048 -0.118 0.000 1.444 359 H CB 1.045 30.752 29.762 -0.093 0.000 1.458 359 H HN 0.634 nan 8.280 nan 0.000 0.572 372 T N 0.695 115.220 114.554 -0.047 0.000 3.110 372 T HA -0.113 4.238 4.350 0.000 0.000 0.445 372 T C -0.471 174.188 174.700 -0.069 0.000 0.772 372 T CA 0.884 62.966 62.100 -0.030 0.000 2.271 372 T CB -1.873 66.991 68.868 -0.006 0.000 1.657 372 T HN 0.463 nan 8.240 nan 0.000 0.594 373 L N 3.313 124.460 121.223 -0.127 0.000 2.387 373 L HA 0.909 5.249 4.340 0.000 0.000 0.266 373 L C 0.702 177.404 176.870 -0.281 0.000 1.059 373 L CA -1.266 53.406 54.840 -0.280 0.000 0.801 373 L CB 1.122 42.864 42.059 -0.529 0.000 1.223 373 L HN 0.602 nan 8.230 nan 0.000 0.456 374 I N -2.027 118.336 120.570 -0.345 0.000 2.722 374 I HA 0.460 4.631 4.170 0.000 0.000 0.295 374 I C -0.895 175.064 176.117 -0.265 0.000 1.161 374 I CA -0.985 60.213 61.300 -0.171 0.000 1.032 374 I CB 1.992 39.995 38.000 0.005 0.000 1.244 374 I HN 0.429 nan 8.210 nan 0.000 0.421 375 Y N 2.269 122.438 120.300 -0.219 0.000 2.683 375 Y HA -0.005 4.546 4.550 0.001 0.000 0.340 375 Y C 1.189 176.823 175.900 -0.444 0.000 1.245 375 Y CA 0.422 58.316 58.100 -0.344 0.000 1.485 375 Y CB 0.263 38.283 38.460 -0.733 0.000 1.328 375 Y HN 0.601 nan 8.280 nan 0.000 0.603 376 N N 2.853 121.453 118.700 -0.166 0.000 3.124 376 N HA -0.016 4.725 4.740 0.000 0.000 0.284 376 N C 0.273 175.727 175.510 -0.094 0.000 1.209 376 N CA 0.241 53.092 53.050 -0.332 0.000 1.149 376 N CB -0.598 37.642 38.487 -0.413 0.000 1.434 376 N HN 0.609 nan 8.380 nan 0.000 0.529 377 Y N 0.457 120.811 120.300 0.089 0.000 2.139 377 Y HA -0.219 4.332 4.550 0.002 0.000 0.282 377 Y C 2.356 178.315 175.900 0.098 0.000 1.179 377 Y CA 1.350 59.450 58.100 -0.001 0.000 1.161 377 Y CB -0.258 38.172 38.460 -0.050 0.000 0.970 377 Y HN 0.475 nan 8.280 nan 0.000 0.511 378 G N -0.045 108.916 108.800 0.268 0.000 2.586 378 G HA2 -0.205 3.756 3.960 0.000 0.000 0.215 378 G HA3 -0.205 3.756 3.960 0.000 0.000 0.215 378 G C 0.685 175.661 174.900 0.127 0.000 1.128 378 G CA -0.177 45.039 45.100 0.195 0.000 0.774 378 G HN 0.187 nan 8.290 nan 0.000 0.543 379 R N 0.095 120.651 120.500 0.093 0.000 2.221 379 R HA 0.365 4.705 4.340 0.000 0.000 0.327 379 R C 1.777 178.114 176.300 0.061 0.000 1.033 379 R CA -0.643 55.495 56.100 0.064 0.000 0.887 379 R CB 0.617 30.944 30.300 0.045 0.000 1.057 379 R HN 0.162 nan 8.270 nan 0.000 0.455 380 R N 3.506 124.030 120.500 0.040 0.000 2.113 380 R HA -0.234 4.106 4.340 0.000 0.000 0.244 380 R C 0.739 177.017 176.300 -0.036 0.000 1.142 380 R CA 2.543 58.659 56.100 0.028 0.000 0.953 380 R CB -0.040 30.261 30.300 0.001 0.000 0.860 380 R HN 0.734 nan 8.270 nan 0.000 0.438 381 E N -0.527 119.533 120.200 -0.232 0.000 2.268 381 E HA -0.071 4.280 4.350 0.000 0.000 0.195 381 E C 1.842 178.279 176.600 -0.272 0.000 0.995 381 E CA 1.211 57.308 56.400 -0.505 0.000 0.836 381 E CB 0.128 28.939 29.700 -1.481 0.000 0.763 381 E HN 0.194 nan 8.360 nan 0.000 0.491 382 V N -0.117 119.736 119.914 -0.102 0.000 2.446 382 V HA -0.175 3.945 4.120 0.000 0.000 0.244 382 V C 2.253 178.507 176.094 0.266 0.000 1.039 382 V CA 1.550 63.929 62.300 0.132 0.000 1.045 382 V CB -0.321 31.579 31.823 0.128 0.000 0.681 382 V HN 0.278 nan 8.190 nan 0.000 0.459 383 S N 0.862 116.704 115.700 0.236 0.000 2.359 383 S HA -0.240 4.230 4.470 0.000 0.000 0.224 383 S C 1.938 176.770 174.600 0.387 0.000 1.035 383 S CA 2.081 60.510 58.200 0.383 0.000 1.018 383 S CB -0.437 62.979 63.200 0.361 0.000 0.876 383 S HN 0.658 nan 8.310 nan 0.000 0.448 384 N N 0.680 119.549 118.700 0.283 0.000 2.166 384 N HA -0.077 4.664 4.740 0.000 0.000 0.186 384 N C 1.411 177.157 175.510 0.394 0.000 1.019 384 N CA 1.187 54.405 53.050 0.280 0.000 0.856 384 N CB -0.844 37.762 38.487 0.199 0.000 0.993 384 N HN 0.518 nan 8.380 nan 0.000 0.426 385 F N 1.733 121.852 119.950 0.281 0.000 2.091 385 F HA -0.147 4.380 4.527 0.001 0.000 0.299 385 F C 1.996 178.011 175.800 0.359 0.000 1.103 385 F CA 1.361 59.579 58.000 0.364 0.000 1.228 385 F CB -0.409 38.800 39.000 0.349 0.000 0.984 385 F HN -0.057 nan 8.300 nan 0.000 0.477 386 L N -1.123 120.246 121.223 0.243 0.000 2.068 386 L HA -0.134 4.206 4.340 0.000 0.000 0.204 386 L C 2.373 179.541 176.870 0.497 0.000 1.076 386 L CA 0.734 55.714 54.840 0.233 0.000 0.753 386 L CB -0.815 41.395 42.059 0.252 0.000 0.910 386 L HN -0.042 nan 8.230 nan 0.000 0.439 387 V N 0.415 120.607 119.914 0.464 0.000 2.295 387 V HA -0.232 3.888 4.120 0.000 0.000 0.246 387 V C 2.663 178.899 176.094 0.237 0.000 1.049 387 V CA 2.072 64.551 62.300 0.299 0.000 1.024 387 V CB -1.399 30.538 31.823 0.189 0.000 0.648 387 V HN 0.581 nan 8.190 nan 0.000 0.447 388 G N -0.135 108.852 108.800 0.313 0.000 2.469 388 G HA2 -0.382 3.578 3.960 0.000 0.000 0.219 388 G HA3 -0.382 3.578 3.960 0.000 0.000 0.219 388 G C 1.524 176.625 174.900 0.335 0.000 1.150 388 G CA 1.195 46.578 45.100 0.471 0.000 0.763 388 G HN 0.550 nan 8.290 nan 0.000 0.561 389 N N 0.993 119.767 118.700 0.123 0.000 2.142 389 N HA -0.082 4.658 4.740 0.000 0.000 0.186 389 N C 2.617 178.052 175.510 -0.126 0.000 1.023 389 N CA 1.204 54.085 53.050 -0.282 0.000 0.852 389 N CB -0.179 38.085 38.487 -0.372 0.000 0.998 389 N HN 0.253 nan 8.380 nan 0.000 0.424 390 A N 1.633 124.367 122.820 -0.144 0.000 1.873 390 A HA -0.159 4.161 4.320 0.000 0.000 0.218 390 A C 2.155 179.614 177.584 -0.208 0.000 1.193 390 A CA 1.093 52.776 52.037 -0.591 0.000 0.629 390 A CB -0.869 17.571 19.000 -0.934 0.000 0.826 390 A HN 0.298 nan 8.150 nan 0.000 0.447 391 L N -1.694 119.496 121.223 -0.056 0.000 2.042 391 L HA -0.154 4.187 4.340 0.000 0.000 0.210 391 L C 2.360 179.259 176.870 0.048 0.000 1.076 391 L CA 2.128 56.999 54.840 0.051 0.000 0.749 391 L CB -1.417 40.759 42.059 0.196 0.000 0.893 391 L HN 0.630 nan 8.230 nan 0.000 0.432 392 Y N -1.355 118.766 120.300 -0.297 0.000 2.114 392 Y HA -0.323 4.227 4.550 -0.000 0.000 0.282 392 Y C 2.288 178.046 175.900 -0.237 0.000 1.165 392 Y CA 1.948 59.692 58.100 -0.593 0.000 1.148 392 Y CB -0.655 37.181 38.460 -1.040 0.000 0.972 392 Y HN 0.169 nan 8.280 nan 0.000 0.504 393 W N 0.212 121.478 121.300 -0.056 0.000 2.381 393 W HA -0.152 4.507 4.660 -0.001 0.000 0.301 393 W C 2.362 178.864 176.519 -0.028 0.000 1.205 393 W CA 1.296 58.605 57.345 -0.060 0.000 1.285 393 W CB -0.365 29.043 29.460 -0.086 0.000 1.133 393 W HN 0.047 nan 8.180 nan 0.000 0.521 394 I N 0.188 120.845 120.570 0.145 0.000 2.142 394 I HA -0.278 3.892 4.170 0.000 0.000 0.240 394 I C 2.101 178.238 176.117 0.034 0.000 1.078 394 I CA 1.606 62.947 61.300 0.069 0.000 1.343 394 I CB -0.531 37.471 38.000 0.004 0.000 1.046 394 I HN 0.030 nan 8.210 nan 0.000 0.405 395 E N 0.030 120.233 120.200 0.005 0.000 2.170 395 E HA -0.041 4.310 4.350 0.000 0.000 0.191 395 E C 2.086 178.640 176.600 -0.076 0.000 0.981 395 E CA 0.435 56.826 56.400 -0.015 0.000 0.830 395 E CB 0.185 29.904 29.700 0.031 0.000 0.775 395 E HN 0.327 nan 8.360 nan 0.000 0.470 396 R N -0.500 119.900 120.500 -0.167 0.000 2.265 396 R HA 0.122 4.462 4.340 0.000 0.000 0.194 396 R C 1.110 177.102 176.300 -0.513 0.000 0.931 396 R CA 0.463 56.345 56.100 -0.364 0.000 1.032 396 R CB 0.136 30.094 30.300 -0.569 0.000 0.980 396 R HN 0.186 nan 8.270 nan 0.000 0.497 397 F N -0.482 119.364 119.950 -0.173 0.000 2.706 397 F HA 0.275 4.801 4.527 -0.001 0.000 0.308 397 F C 1.349 177.118 175.800 -0.052 0.000 1.095 397 F CA 0.402 58.361 58.000 -0.069 0.000 1.244 397 F CB 0.641 39.717 39.000 0.127 0.000 1.063 397 F HN 0.169 nan 8.300 nan 0.000 0.582 398 G N 2.064 110.928 108.800 0.107 0.000 2.168 398 G HA2 -0.342 3.619 3.960 0.000 0.000 0.257 398 G HA3 -0.342 3.619 3.960 0.000 0.000 0.257 398 G C 0.339 175.362 174.900 0.204 0.000 0.997 398 G CA 0.340 45.525 45.100 0.142 0.000 0.708 398 G HN 0.446 nan 8.290 nan 0.000 0.520 399 I N -2.410 118.257 120.570 0.162 0.000 2.696 399 I HA 0.493 4.664 4.170 0.000 0.000 0.284 399 I C 0.669 176.839 176.117 0.088 0.000 1.129 399 I CA -0.016 61.359 61.300 0.125 0.000 1.410 399 I CB 0.702 38.769 38.000 0.111 0.000 1.399 399 I HN -0.026 nan 8.210 nan 0.000 0.579 400 D N 4.730 125.177 120.400 0.079 0.000 2.379 400 D HA 0.381 5.021 4.640 0.000 0.000 0.208 400 D C 0.293 176.608 176.300 0.025 0.000 1.065 400 D CA 0.638 54.655 54.000 0.029 0.000 0.848 400 D CB 0.850 41.658 40.800 0.013 0.000 0.949 400 D HN 0.770 nan 8.370 nan 0.000 0.509 401 A N 0.451 123.302 122.820 0.052 0.000 2.597 401 A HA 0.605 4.925 4.320 0.000 0.000 0.292 401 A C -1.898 175.732 177.584 0.076 0.000 1.057 401 A CA -0.621 51.455 52.037 0.065 0.000 0.674 401 A CB 0.933 20.003 19.000 0.117 0.000 1.278 401 A HN 0.039 nan 8.150 nan 0.000 0.416 402 L N 1.025 122.310 121.223 0.104 0.000 2.386 402 L HA 0.681 5.021 4.340 0.000 0.000 0.271 402 L C 0.061 177.075 176.870 0.241 0.000 0.993 402 L CA -0.617 54.304 54.840 0.135 0.000 0.819 402 L CB 2.193 44.278 42.059 0.044 0.000 1.294 402 L HN 0.852 nan 8.230 nan 0.000 0.414 403 R N 2.094 122.741 120.500 0.245 0.000 2.445 403 R HA 0.659 4.999 4.340 0.000 0.000 0.308 403 R C -1.527 174.914 176.300 0.235 0.000 0.961 403 R CA -0.541 55.685 56.100 0.210 0.000 0.862 403 R CB 1.917 32.299 30.300 0.138 0.000 1.144 403 R HN 0.417 nan 8.270 nan 0.000 0.447 404 V N 5.723 125.743 119.914 0.176 0.000 2.350 404 V HA 0.142 4.263 4.120 0.000 0.000 0.276 404 V C 0.031 176.078 176.094 -0.078 0.000 1.028 404 V CA -0.724 61.656 62.300 0.133 0.000 0.860 404 V CB 1.211 33.176 31.823 0.237 0.000 0.990 404 V HN 0.851 nan 8.190 nan 0.000 0.453 405 D N 4.214 124.600 120.400 -0.023 0.000 2.294 405 D HA 0.465 5.105 4.640 0.000 0.000 0.250 405 D C 0.596 176.847 176.300 -0.082 0.000 1.058 405 D CA 0.069 54.006 54.000 -0.106 0.000 0.950 405 D CB 1.851 42.665 40.800 0.024 0.000 1.158 405 D HN 0.983 nan 8.370 nan 0.000 0.453 406 A N 0.742 123.506 122.820 -0.093 0.000 2.822 406 A HA -0.173 4.147 4.320 0.000 0.000 0.287 406 A C 1.405 178.954 177.584 -0.058 0.000 1.479 406 A CA 0.734 52.750 52.037 -0.035 0.000 0.779 406 A CB -2.202 16.822 19.000 0.040 0.000 1.022 406 A HN 0.477 nan 8.150 nan 0.000 0.532 407 V N -1.038 118.819 119.914 -0.094 0.000 2.453 407 V HA -0.293 3.827 4.120 0.000 0.000 0.252 407 V C 2.924 178.973 176.094 -0.075 0.000 1.068 407 V CA 2.887 65.126 62.300 -0.103 0.000 1.070 407 V CB -1.089 30.633 31.823 -0.169 0.000 0.664 407 V HN 1.264 nan 8.190 nan 0.000 0.461 408 A N 0.735 123.559 122.820 0.005 0.000 1.908 408 A HA -0.238 4.083 4.320 0.000 0.000 0.218 408 A C 2.527 180.180 177.584 0.117 0.000 1.181 408 A CA 2.371 54.480 52.037 0.120 0.000 0.627 408 A CB -0.745 18.371 19.000 0.193 0.000 0.818 408 A HN 0.722 nan 8.150 nan 0.000 0.445 409 S N -0.922 114.828 115.700 0.083 0.000 2.481 409 S HA -0.047 4.423 4.470 0.000 0.000 0.231 409 S C 1.891 176.520 174.600 0.048 0.000 0.996 409 S CA 1.373 59.628 58.200 0.091 0.000 0.942 409 S CB -0.501 62.766 63.200 0.112 0.000 0.768 409 S HN 0.516 nan 8.310 nan 0.000 0.520 410 M N 1.401 120.997 119.600 -0.007 0.000 2.236 410 M HA 0.201 4.681 4.480 0.000 0.000 0.266 410 M C 2.161 178.413 176.300 -0.080 0.000 1.070 410 M CA 1.370 56.657 55.300 -0.020 0.000 1.137 410 M CB -0.429 32.118 32.600 -0.088 0.000 1.378 410 M HN 0.513 nan 8.290 nan 0.000 0.426 411 I N -3.559 116.897 120.570 -0.189 0.000 3.860 411 I HA 0.103 4.273 4.170 0.000 0.000 0.319 411 I C -0.370 175.456 176.117 -0.484 0.000 1.279 411 I CA 0.028 61.105 61.300 -0.373 0.000 1.220 411 I CB 0.028 37.670 38.000 -0.597 0.000 1.027 411 I HN 0.008 nan 8.210 nan 0.000 0.428 412 Y N 1.405 121.675 120.300 -0.049 0.000 2.331 412 Y HA 0.472 5.022 4.550 0.001 0.000 0.334 412 Y C 1.150 176.994 175.900 -0.094 0.000 0.960 412 Y CA -0.930 57.125 58.100 -0.075 0.000 1.130 412 Y CB 1.609 39.993 38.460 -0.127 0.000 1.164 412 Y HN -0.161 nan 8.280 nan 0.000 0.458 413 R N 1.185 121.741 120.500 0.094 0.000 2.096 413 R HA -0.113 4.228 4.340 0.000 0.000 0.235 413 R C 0.664 176.952 176.300 -0.020 0.000 1.127 413 R CA 1.333 57.450 56.100 0.028 0.000 0.968 413 R CB -0.306 30.009 30.300 0.024 0.000 0.861 413 R HN 0.868 nan 8.270 nan 0.000 0.440 414 D N 1.416 121.755 120.400 -0.103 0.000 2.429 414 D HA 0.154 4.794 4.640 0.000 0.000 0.253 414 D C -0.026 175.894 176.300 -0.634 0.000 1.294 414 D CA 0.185 54.027 54.000 -0.263 0.000 1.063 414 D CB -1.344 39.242 40.800 -0.357 0.000 1.096 414 D HN 0.316 nan 8.370 nan 0.000 0.516 426 E N 0.964 121.236 120.200 0.120 0.000 2.537 426 E HA 0.106 4.456 4.350 0.000 0.000 0.191 426 E C -0.593 176.217 176.600 0.350 0.000 0.987 426 E CA 0.301 56.807 56.400 0.176 0.000 1.607 426 E CB 0.225 30.027 29.700 0.169 0.000 2.499 426 E HN 0.551 nan 8.360 nan 0.000 1.073 427 F N -1.233 118.732 119.950 0.026 0.000 3.432 427 F HA 0.412 4.938 4.527 -0.001 0.000 0.491 427 F C -0.373 175.442 175.800 0.025 0.000 0.731 427 F CA -0.156 57.858 58.000 0.024 0.000 1.401 427 F CB 0.026 39.040 39.000 0.023 0.000 3.003 427 F HN -0.014 nan 8.300 nan 0.000 0.612 428 G N 0.774 109.463 108.800 -0.186 0.000 3.774 428 G HA2 0.478 4.439 3.960 0.000 0.000 0.287 428 G HA3 0.478 4.439 3.960 0.000 0.000 0.287 428 G C 0.673 175.568 174.900 -0.008 0.000 1.030 428 G CA 0.134 45.228 45.100 -0.011 0.000 0.824 428 G HN 0.894 nan 8.290 nan 0.000 0.518 429 G N -0.058 108.722 108.800 -0.035 0.000 2.583 429 G HA2 0.273 4.233 3.960 0.000 0.000 0.275 429 G HA3 0.273 4.233 3.960 0.000 0.000 0.275 429 G C 0.739 175.678 174.900 0.064 0.000 1.342 429 G CA -0.422 44.685 45.100 0.011 0.000 1.030 429 G HN 0.322 nan 8.290 nan 0.000 0.520 430 R N -0.693 119.872 120.500 0.109 0.000 2.373 430 R HA 0.108 4.448 4.340 0.000 0.000 0.221 430 R C 0.472 176.913 176.300 0.235 0.000 0.893 430 R CA 0.054 56.241 56.100 0.144 0.000 1.049 430 R CB 0.030 30.393 30.300 0.104 0.000 1.119 430 R HN 0.714 nan 8.270 nan 0.000 0.535 431 E N 1.389 121.717 120.200 0.213 0.000 2.384 431 E HA -0.047 4.303 4.350 0.000 0.000 0.266 431 E C -0.850 175.766 176.600 0.027 0.000 1.012 431 E CA -0.307 56.119 56.400 0.043 0.000 0.901 431 E CB 0.470 30.201 29.700 0.051 0.000 0.967 431 E HN 0.022 nan 8.360 nan 0.000 0.435 432 N N 3.960 122.632 118.700 -0.045 0.000 2.469 432 N HA 0.049 4.789 4.740 0.000 0.000 0.239 432 N C 0.732 176.254 175.510 0.019 0.000 1.053 432 N CA -0.145 52.907 53.050 0.003 0.000 0.937 432 N CB 0.511 38.995 38.487 -0.004 0.000 1.163 432 N HN 0.566 nan 8.380 nan 0.000 0.509 433 L N 2.455 123.721 121.223 0.073 0.000 2.046 433 L HA -0.128 4.213 4.340 0.000 0.000 0.208 433 L C 1.916 178.840 176.870 0.090 0.000 1.077 433 L CA 1.170 56.065 54.840 0.092 0.000 0.747 433 L CB -0.194 41.945 42.059 0.133 0.000 0.896 433 L HN 0.548 nan 8.230 nan 0.000 0.432 434 E N 0.369 120.641 120.200 0.120 0.000 2.110 434 E HA -0.218 4.133 4.350 0.000 0.000 0.193 434 E C 2.318 179.004 176.600 0.143 0.000 0.988 434 E CA 1.194 57.696 56.400 0.171 0.000 0.804 434 E CB -0.137 29.716 29.700 0.255 0.000 0.745 434 E HN 0.513 nan 8.360 nan 0.000 0.458 435 A N 1.073 123.925 122.820 0.054 0.000 1.898 435 A HA -0.140 4.180 4.320 0.000 0.000 0.216 435 A C 2.146 179.671 177.584 -0.099 0.000 1.181 435 A CA 0.888 52.823 52.037 -0.170 0.000 0.620 435 A CB -0.464 18.428 19.000 -0.179 0.000 0.819 435 A HN 0.122 nan 8.150 nan 0.000 0.442 436 I N -0.655 119.876 120.570 -0.066 0.000 2.179 436 I HA -0.233 3.937 4.170 0.000 0.000 0.242 436 I C 2.564 178.676 176.117 -0.008 0.000 1.088 436 I CA 1.772 63.032 61.300 -0.067 0.000 1.357 436 I CB -0.171 37.806 38.000 -0.038 0.000 1.051 436 I HN 0.367 nan 8.210 nan 0.000 0.409 437 E N 0.990 121.216 120.200 0.043 0.000 2.110 437 E HA -0.277 4.073 4.350 0.000 0.000 0.193 437 E C 1.967 178.603 176.600 0.060 0.000 0.988 437 E CA 1.467 57.901 56.400 0.057 0.000 0.804 437 E CB -0.419 29.337 29.700 0.092 0.000 0.745 437 E HN 0.469 nan 8.360 nan 0.000 0.458 438 F N 0.222 120.137 119.950 -0.058 0.000 2.186 438 F HA -0.036 4.494 4.527 0.004 0.000 0.299 438 F C 1.699 177.454 175.800 -0.075 0.000 1.090 438 F CA 1.166 59.134 58.000 -0.054 0.000 1.307 438 F CB -0.088 38.841 39.000 -0.118 0.000 1.019 438 F HN 0.026 nan 8.300 nan 0.000 0.489 439 L N 0.012 121.129 121.223 -0.175 0.000 2.072 439 L HA -0.131 4.209 4.340 0.000 0.000 0.205 439 L C 2.679 179.358 176.870 -0.319 0.000 1.079 439 L CA 1.178 55.856 54.840 -0.270 0.000 0.752 439 L CB -0.675 41.348 42.059 -0.061 0.000 0.906 439 L HN 0.028 nan 8.230 nan 0.000 0.436 440 R N -0.050 120.331 120.500 -0.197 0.000 2.083 440 R HA -0.203 4.137 4.340 0.000 0.000 0.237 440 R C 2.201 178.394 176.300 -0.178 0.000 1.137 440 R CA 1.848 57.849 56.100 -0.165 0.000 0.951 440 R CB -0.505 29.749 30.300 -0.077 0.000 0.851 440 R HN 0.443 nan 8.270 nan 0.000 0.434 441 N N -0.390 118.207 118.700 -0.172 0.000 2.188 441 N HA -0.112 4.628 4.740 0.000 0.000 0.184 441 N C 1.193 176.584 175.510 -0.197 0.000 1.018 441 N CA 1.418 54.384 53.050 -0.141 0.000 0.858 441 N CB 0.158 38.598 38.487 -0.078 0.000 0.989 441 N HN 0.140 nan 8.380 nan 0.000 0.426 442 T N 0.900 115.241 114.554 -0.354 0.000 2.674 442 T HA -0.075 4.275 4.350 0.000 0.000 0.265 442 T C 1.495 176.065 174.700 -0.215 0.000 1.039 442 T CA 1.377 63.275 62.100 -0.338 0.000 1.150 442 T CB -0.453 68.093 68.868 -0.536 0.000 0.864 442 T HN 0.414 nan 8.240 nan 0.000 0.427 443 N N 0.408 118.951 118.700 -0.262 0.000 2.205 443 N HA -0.073 4.667 4.740 0.000 0.000 0.186 443 N C 2.086 177.539 175.510 -0.096 0.000 1.015 443 N CA 0.559 53.493 53.050 -0.193 0.000 0.862 443 N CB -0.035 38.252 38.487 -0.332 0.000 0.986 443 N HN 0.139 nan 8.380 nan 0.000 0.429 444 R N 1.193 121.627 120.500 -0.109 0.000 2.075 444 R HA -0.036 4.304 4.340 0.000 0.000 0.232 444 R C 1.922 178.204 176.300 -0.030 0.000 1.126 444 R CA 1.063 57.127 56.100 -0.059 0.000 0.963 444 R CB -0.293 29.971 30.300 -0.060 0.000 0.858 444 R HN 0.255 nan 8.270 nan 0.000 0.435 445 I N 1.375 121.916 120.570 -0.048 0.000 2.163 445 I HA -0.198 3.972 4.170 0.000 0.000 0.240 445 I C 0.876 176.979 176.117 -0.024 0.000 1.081 445 I CA 0.598 61.878 61.300 -0.034 0.000 1.353 445 I CB -0.149 37.825 38.000 -0.042 0.000 1.054 445 I HN 0.044 nan 8.210 nan 0.000 0.407 446 L N 0.876 122.079 121.223 -0.034 0.000 2.485 446 L HA 0.136 4.476 4.340 0.000 0.000 0.275 446 L C 1.276 178.165 176.870 0.032 0.000 1.207 446 L CA 0.792 55.620 54.840 -0.020 0.000 0.855 446 L CB -0.029 42.008 42.059 -0.037 0.000 1.114 446 L HN 0.549 nan 8.230 nan 0.000 0.485 447 G N 1.803 110.626 108.800 0.040 0.000 2.792 447 G HA2 -0.224 3.736 3.960 0.000 0.000 0.201 447 G HA3 -0.224 3.736 3.960 0.000 0.000 0.201 447 G C 0.823 175.763 174.900 0.066 0.000 1.322 447 G CA 0.173 45.345 45.100 0.119 0.000 0.910 447 G HN 0.622 nan 8.290 nan 0.000 0.535 448 E N 0.177 120.396 120.200 0.032 0.000 2.190 448 E HA 0.093 4.443 4.350 0.000 0.000 0.191 448 E C 2.381 178.980 176.600 -0.001 0.000 0.978 448 E CA 0.919 57.327 56.400 0.014 0.000 0.839 448 E CB 0.008 29.713 29.700 0.008 0.000 0.787 448 E HN 0.422 nan 8.360 nan 0.000 0.473 449 Q N -0.045 119.750 119.800 -0.008 0.000 2.259 449 Q HA 0.017 4.358 4.340 0.000 0.000 0.201 449 Q C 1.315 177.301 176.000 -0.023 0.000 0.938 449 Q CA 0.897 56.690 55.803 -0.016 0.000 0.872 449 Q CB 1.128 29.856 28.738 -0.016 0.000 0.971 449 Q HN 0.250 nan 8.270 nan 0.000 0.494 450 V N -1.742 118.152 119.914 -0.033 0.000 2.656 450 V HA 0.400 4.520 4.120 0.000 0.000 0.312 450 V C 0.076 176.121 176.094 -0.082 0.000 1.181 450 V CA -0.808 61.460 62.300 -0.053 0.000 1.250 450 V CB 0.733 32.525 31.823 -0.052 0.000 1.468 450 V HN 0.020 nan 8.190 nan 0.000 0.651 451 S N 1.623 117.281 115.700 -0.069 0.000 2.593 451 S HA 0.428 4.898 4.470 0.000 0.000 0.300 451 S C 1.645 176.149 174.600 -0.160 0.000 1.267 451 S CA 1.861 60.002 58.200 -0.099 0.000 1.065 451 S CB 0.239 63.410 63.200 -0.049 0.000 0.807 451 S HN 2.403 nan 8.310 nan 0.000 0.499 452 G N 2.897 111.535 108.800 -0.271 0.000 2.259 452 G HA2 -0.080 3.880 3.960 0.000 0.000 0.217 452 G HA3 -0.080 3.880 3.960 0.000 0.000 0.217 452 G C 0.149 174.869 174.900 -0.299 0.000 1.001 452 G CA -0.059 44.877 45.100 -0.273 0.000 0.627 452 G HN 1.587 nan 8.290 nan 0.000 0.501 453 A N 1.179 123.828 122.820 -0.284 0.000 2.366 453 A HA 0.759 5.080 4.320 0.000 0.000 0.322 453 A C 0.686 178.082 177.584 -0.313 0.000 1.397 453 A CA 0.288 52.190 52.037 -0.225 0.000 0.984 453 A CB 0.339 19.258 19.000 -0.134 0.000 1.149 453 A HN 1.870 nan 8.150 nan 0.000 0.540 454 V N 1.495 121.225 119.914 -0.306 0.000 2.953 454 V HA 0.846 4.966 4.120 0.000 0.000 0.304 454 V C 0.289 176.407 176.094 0.041 0.000 1.073 454 V CA 0.091 62.179 62.300 -0.354 0.000 1.064 454 V CB 1.138 32.877 31.823 -0.140 0.000 1.047 454 V HN 0.955 nan 8.190 nan 0.000 0.478 455 T N 2.042 116.777 114.554 0.301 0.000 2.856 455 T HA 0.777 5.128 4.350 0.000 0.000 0.283 455 T C -0.582 174.505 174.700 0.646 0.000 1.008 455 T CA -0.837 61.538 62.100 0.459 0.000 0.997 455 T CB 1.555 70.693 68.868 0.449 0.000 0.992 455 T HN 0.795 nan 8.240 nan 0.000 0.454 456 M N 1.925 121.834 119.600 0.515 0.000 2.464 456 M HA 0.739 5.220 4.480 0.000 0.000 0.308 456 M C -0.678 175.636 176.300 0.023 0.000 1.127 456 M CA -1.063 54.462 55.300 0.374 0.000 0.913 456 M CB 2.487 35.289 32.600 0.338 0.000 1.689 456 M HN 0.903 nan 8.290 nan 0.000 0.445 457 A N 1.672 124.311 122.820 -0.301 0.000 2.374 457 A HA 0.720 5.040 4.320 0.000 0.000 0.317 457 A C -1.120 176.197 177.584 -0.445 0.000 1.094 457 A CA -0.566 51.052 52.037 -0.698 0.000 0.765 457 A CB 1.779 19.852 19.000 -1.545 0.000 1.268 457 A HN 0.797 nan 8.150 nan 0.000 0.438 458 E N 1.947 121.858 120.200 -0.483 0.000 2.129 458 E HA 0.346 4.697 4.350 0.000 0.000 0.268 458 E C -1.381 175.117 176.600 -0.170 0.000 0.900 458 E CA -0.224 55.981 56.400 -0.325 0.000 0.755 458 E CB 1.202 30.567 29.700 -0.559 0.000 1.117 458 E HN 0.622 nan 8.360 nan 0.000 0.410 459 E N 2.524 122.704 120.200 -0.034 0.000 2.272 459 E HA 0.209 4.559 4.350 0.000 0.000 0.269 459 E C -0.417 176.254 176.600 0.118 0.000 0.877 459 E CA -0.236 56.176 56.400 0.021 0.000 0.755 459 E CB 1.735 31.446 29.700 0.019 0.000 1.192 459 E HN 0.497 nan 8.360 nan 0.000 0.422 460 S N 1.065 116.847 115.700 0.136 0.000 2.603 460 S HA 0.077 4.547 4.470 0.000 0.000 0.232 460 S C 0.948 175.638 174.600 0.150 0.000 1.016 460 S CA 0.377 58.671 58.200 0.157 0.000 0.976 460 S CB -0.027 63.263 63.200 0.149 0.000 0.921 460 S HN 0.515 nan 8.310 nan 0.000 0.516 461 T N -0.262 114.394 114.554 0.170 0.000 3.133 461 T HA 0.423 4.773 4.350 0.000 0.000 0.329 461 T C -0.393 174.406 174.700 0.165 0.000 1.248 461 T CA -0.149 62.036 62.100 0.141 0.000 0.933 461 T CB -0.008 68.946 68.868 0.143 0.000 1.943 461 T HN -0.010 nan 8.240 nan 0.000 0.572 462 D N 0.390 120.886 120.400 0.161 0.000 2.749 462 D HA 0.311 4.951 4.640 0.000 0.000 0.338 462 D C -1.251 175.162 176.300 0.189 0.000 1.236 462 D CA -0.445 53.649 54.000 0.156 0.000 0.845 462 D CB -0.372 40.477 40.800 0.082 0.000 1.080 462 D HN 0.431 nan 8.370 nan 0.000 0.497 463 F N 3.175 123.202 119.950 0.127 0.000 2.578 463 F HA 0.202 4.727 4.527 -0.002 0.000 0.381 463 F C -1.780 174.064 175.800 0.074 0.000 1.069 463 F CA -1.161 56.911 58.000 0.120 0.000 1.231 463 F CB 0.636 39.707 39.000 0.119 0.000 1.086 463 F HN 0.027 nan 8.300 nan 0.000 0.564 464 P HA 0.212 nan 4.420 nan 0.000 0.274 464 P C 0.187 177.464 177.300 -0.038 0.000 1.231 464 P CA 0.369 63.376 63.100 -0.155 0.000 0.790 464 P CB 1.014 32.578 31.700 -0.227 0.000 0.951 465 G N 1.067 109.884 108.800 0.029 0.000 2.176 465 G HA2 -0.269 3.691 3.960 0.000 0.000 0.252 465 G HA3 -0.269 3.691 3.960 0.000 0.000 0.252 465 G C 0.787 175.774 174.900 0.145 0.000 1.024 465 G CA 0.114 45.241 45.100 0.045 0.000 0.755 465 G HN 0.371 nan 8.290 nan 0.000 0.507 466 V N 0.791 120.825 119.914 0.201 0.000 2.332 466 V HA -0.181 3.939 4.120 0.000 0.000 0.248 466 V C 2.522 178.721 176.094 0.176 0.000 1.055 466 V CA 2.889 65.324 62.300 0.224 0.000 1.038 466 V CB -0.281 31.628 31.823 0.142 0.000 0.651 466 V HN 1.194 nan 8.190 nan 0.000 0.450 467 S N -0.628 115.082 115.700 0.017 0.000 2.552 467 S HA 0.306 4.776 4.470 0.000 0.000 0.246 467 S C 0.361 174.859 174.600 -0.171 0.000 1.019 467 S CA -0.535 57.627 58.200 -0.062 0.000 1.045 467 S CB -0.003 63.093 63.200 -0.172 0.000 0.784 467 S HN 0.301 nan 8.310 nan 0.000 0.453 468 R N 1.862 122.296 120.500 -0.110 0.000 2.664 468 R HA 0.580 4.920 4.340 0.000 0.000 0.286 468 R C -3.176 173.037 176.300 -0.146 0.000 0.967 468 R CA -2.713 53.301 56.100 -0.144 0.000 0.933 468 R CB 0.121 30.363 30.300 -0.096 0.000 1.146 468 R HN 0.110 nan 8.270 nan 0.000 0.468 469 P HA 0.017 nan 4.420 nan 0.000 0.265 469 P C 0.176 177.414 177.300 -0.103 0.000 1.187 469 P CA 0.101 63.100 63.100 -0.169 0.000 0.766 469 P CB 0.608 32.218 31.700 -0.151 0.000 0.820 470 Q N 1.496 121.236 119.800 -0.099 0.000 2.133 470 Q HA -0.243 4.098 4.340 0.000 0.000 0.208 470 Q C 1.380 177.359 176.000 -0.036 0.000 0.991 470 Q CA 2.115 57.883 55.803 -0.058 0.000 0.867 470 Q CB -0.703 27.994 28.738 -0.067 0.000 0.911 470 Q HN 0.523 nan 8.270 nan 0.000 0.417 471 D N -0.624 119.750 120.400 -0.043 0.000 2.218 471 D HA -0.098 4.542 4.640 0.000 0.000 0.204 471 D C 0.755 177.040 176.300 -0.025 0.000 0.976 471 D CA 0.942 54.925 54.000 -0.029 0.000 0.853 471 D CB 0.121 40.903 40.800 -0.030 0.000 0.939 471 D HN 0.322 nan 8.370 nan 0.000 0.481 472 M N -1.527 118.053 119.600 -0.033 0.000 2.551 472 M HA 0.313 4.793 4.480 0.000 0.000 0.252 472 M C 1.026 177.312 176.300 -0.024 0.000 1.219 472 M CA 0.180 55.461 55.300 -0.031 0.000 0.978 472 M CB 0.762 33.336 32.600 -0.043 0.000 1.533 472 M HN 0.036 nan 8.290 nan 0.000 0.474 473 G N 0.572 109.367 108.800 -0.008 0.000 2.159 473 G HA2 -0.194 3.766 3.960 0.000 0.000 0.256 473 G HA3 -0.194 3.766 3.960 0.000 0.000 0.256 473 G C 0.300 175.229 174.900 0.049 0.000 0.977 473 G CA -0.160 44.947 45.100 0.012 0.000 0.652 473 G HN 0.666 nan 8.290 nan 0.000 0.531 474 G N -1.198 107.623 108.800 0.035 0.000 2.588 474 G HA2 0.576 4.537 3.960 0.000 0.000 0.281 474 G HA3 0.576 4.537 3.960 0.000 0.000 0.281 474 G C 0.775 175.737 174.900 0.102 0.000 1.236 474 G CA -0.421 44.729 45.100 0.083 0.000 0.969 474 G HN 0.324 nan 8.290 nan 0.000 0.504 475 L N 0.493 121.800 121.223 0.140 0.000 2.558 475 L HA 0.244 4.584 4.340 0.000 0.000 0.225 475 L C 2.362 179.162 176.870 -0.118 0.000 1.128 475 L CA 1.100 55.976 54.840 0.060 0.000 0.868 475 L CB -0.551 41.631 42.059 0.205 0.000 1.006 475 L HN 1.072 nan 8.230 nan 0.000 0.454 476 G N -1.370 107.359 108.800 -0.119 0.000 2.159 476 G HA2 -0.329 3.631 3.960 0.000 0.000 0.256 476 G HA3 -0.329 3.631 3.960 0.000 0.000 0.256 476 G C 0.460 175.156 174.900 -0.340 0.000 0.977 476 G CA 0.052 44.994 45.100 -0.263 0.000 0.652 476 G HN 0.230 nan 8.290 nan 0.000 0.531 477 F N -1.198 118.693 119.950 -0.099 0.000 2.535 477 F HA 0.456 4.983 4.527 0.001 0.000 0.332 477 F C 1.587 177.310 175.800 -0.127 0.000 1.208 477 F CA 0.184 58.184 58.000 0.001 0.000 1.330 477 F CB 0.362 39.404 39.000 0.069 0.000 1.167 477 F HN 0.051 nan 8.300 nan 0.000 0.597 478 W N -0.818 120.607 121.300 0.209 0.000 2.588 478 W HA 0.152 4.810 4.660 -0.003 0.000 0.277 478 W C -0.412 175.966 176.519 -0.236 0.000 1.221 478 W CA 0.267 57.616 57.345 0.007 0.000 1.355 478 W CB -0.156 29.310 29.460 0.010 0.000 1.083 478 W HN 0.156 nan 8.180 nan 0.000 0.581 479 Y N 0.003 120.529 120.300 0.376 0.000 2.545 479 Y HA 0.445 4.999 4.550 0.006 0.000 0.348 479 Y C -0.131 175.857 175.900 0.145 0.000 1.002 479 Y CA -1.814 56.408 58.100 0.203 0.000 1.039 479 Y CB 1.756 40.377 38.460 0.268 0.000 1.271 479 Y HN -0.451 nan 8.280 nan 0.000 0.467 480 K N 0.965 121.519 120.400 0.256 0.000 2.371 480 K HA 0.443 4.764 4.320 0.000 0.000 0.251 480 K C -1.751 175.171 176.600 0.537 0.000 0.934 480 K CA -0.626 55.814 56.287 0.254 0.000 0.798 480 K CB 1.130 33.684 32.500 0.089 0.000 1.204 480 K HN 0.567 nan 8.250 nan 0.000 0.427 481 W N 2.531 123.952 121.300 0.202 0.000 2.251 481 W HA 0.131 4.790 4.660 -0.001 0.000 0.327 481 W C 0.559 177.263 176.519 0.308 0.000 1.361 481 W CA -0.308 57.160 57.345 0.206 0.000 1.234 481 W CB 0.262 29.788 29.460 0.112 0.000 1.212 481 W HN 0.500 nan 8.180 nan 0.000 0.557 482 N N 4.210 123.120 118.700 0.349 0.000 3.034 482 N HA 0.085 4.825 4.740 0.000 0.000 0.265 482 N C 0.940 176.543 175.510 0.155 0.000 1.166 482 N CA 0.104 53.185 53.050 0.052 0.000 1.081 482 N CB 0.034 38.265 38.487 -0.426 0.000 1.378 482 N HN 0.434 nan 8.380 nan 0.000 0.520 483 L N 0.490 121.856 121.223 0.239 0.000 2.156 483 L HA 0.033 4.373 4.340 0.000 0.000 0.208 483 L C 2.311 179.317 176.870 0.227 0.000 1.095 483 L CA 0.984 55.946 54.840 0.203 0.000 0.770 483 L CB -0.311 41.909 42.059 0.268 0.000 0.914 483 L HN 0.432 nan 8.230 nan 0.000 0.439 484 G N -0.491 108.458 108.800 0.249 0.000 2.422 484 G HA2 -0.321 3.640 3.960 0.000 0.000 0.218 484 G HA3 -0.321 3.640 3.960 0.000 0.000 0.218 484 G C 1.321 176.388 174.900 0.279 0.000 1.146 484 G CA 0.504 45.757 45.100 0.254 0.000 0.769 484 G HN 0.500 nan 8.290 nan 0.000 0.547 485 W N 0.507 121.848 121.300 0.070 0.000 2.358 485 W HA -0.044 4.618 4.660 0.002 0.000 0.303 485 W C 2.502 179.016 176.519 -0.007 0.000 1.208 485 W CA 1.784 59.130 57.345 0.002 0.000 1.274 485 W CB 0.012 29.384 29.460 -0.146 0.000 1.138 485 W HN 0.136 nan 8.180 nan 0.000 0.515 486 M N 0.186 119.920 119.600 0.224 0.000 2.065 486 M HA -0.270 4.211 4.480 0.000 0.000 0.259 486 M C 1.881 178.082 176.300 -0.164 0.000 1.069 486 M CA 2.391 57.699 55.300 0.014 0.000 1.110 486 M CB -1.444 31.147 32.600 -0.015 0.000 1.328 486 M HN 0.171 nan 8.290 nan 0.000 0.405 487 H N 0.161 119.224 119.070 -0.011 0.000 2.319 487 H HA -0.174 4.382 4.556 0.000 0.000 0.299 487 H C 1.768 177.024 175.328 -0.119 0.000 1.092 487 H CA 1.968 57.986 56.048 -0.050 0.000 1.302 487 H CB -0.165 29.589 29.762 -0.013 0.000 1.373 487 H HN 0.448 nan 8.280 nan 0.000 0.497 488 D N -0.622 119.769 120.400 -0.015 0.000 2.084 488 D HA -0.142 4.498 4.640 0.000 0.000 0.194 488 D C 2.445 178.590 176.300 -0.258 0.000 0.990 488 D CA 2.084 56.017 54.000 -0.112 0.000 0.826 488 D CB -0.645 40.113 40.800 -0.070 0.000 0.971 488 D HN 0.534 nan 8.370 nan 0.000 0.453 489 T N -1.217 113.045 114.554 -0.487 0.000 2.904 489 T HA -0.072 4.278 4.350 0.000 0.000 0.267 489 T C 1.948 176.379 174.700 -0.447 0.000 1.059 489 T CA 0.365 62.127 62.100 -0.563 0.000 1.137 489 T CB -0.280 68.075 68.868 -0.854 0.000 0.879 489 T HN -0.054 nan 8.240 nan 0.000 0.467 490 L N 1.822 122.835 121.223 -0.351 0.000 2.109 490 L HA 0.100 4.440 4.340 0.000 0.000 0.207 490 L C 2.173 178.905 176.870 -0.231 0.000 1.086 490 L CA 1.431 56.088 54.840 -0.305 0.000 0.760 490 L CB -0.935 41.021 42.059 -0.171 0.000 0.910 490 L HN 0.196 nan 8.230 nan 0.000 0.437 491 D N -1.960 118.340 120.400 -0.167 0.000 2.144 491 D HA -0.246 4.395 4.640 0.000 0.000 0.200 491 D C 2.048 178.240 176.300 -0.179 0.000 0.978 491 D CA 1.095 55.004 54.000 -0.151 0.000 0.833 491 D CB -0.094 40.637 40.800 -0.115 0.000 0.961 491 D HN 0.358 nan 8.370 nan 0.000 0.470 492 Y N 0.751 120.862 120.300 -0.315 0.000 2.163 492 Y HA -0.197 4.354 4.550 0.001 0.000 0.288 492 Y C 2.174 177.867 175.900 -0.346 0.000 1.136 492 Y CA 1.358 59.259 58.100 -0.332 0.000 1.147 492 Y CB -0.045 38.168 38.460 -0.412 0.000 0.987 492 Y HN -0.177 nan 8.280 nan 0.000 0.509 493 M N 0.558 119.998 119.600 -0.266 0.000 2.117 493 M HA -0.212 4.268 4.480 0.000 0.000 0.262 493 M C 2.171 178.294 176.300 -0.294 0.000 1.065 493 M CA 1.563 56.663 55.300 -0.333 0.000 1.114 493 M CB -1.217 31.090 32.600 -0.488 0.000 1.361 493 M HN 0.226 nan 8.290 nan 0.000 0.408 494 K N 0.546 120.788 120.400 -0.262 0.000 2.173 494 K HA -0.102 4.218 4.320 0.000 0.000 0.207 494 K C 0.343 176.826 176.600 -0.195 0.000 1.046 494 K CA 0.615 56.780 56.287 -0.204 0.000 0.929 494 K CB -0.208 32.186 32.500 -0.177 0.000 0.720 494 K HN 0.249 nan 8.250 nan 0.000 0.453 495 L N 1.937 123.009 121.223 -0.251 0.000 2.456 495 L HA -0.006 4.334 4.340 0.000 0.000 0.272 495 L C 0.640 177.429 176.870 -0.135 0.000 1.189 495 L CA -0.258 54.464 54.840 -0.197 0.000 0.846 495 L CB 0.270 42.164 42.059 -0.275 0.000 1.111 495 L HN 0.178 nan 8.230 nan 0.000 0.475 496 D N 3.452 123.858 120.400 0.011 0.000 2.443 496 D HA 0.010 4.651 4.640 0.000 0.000 0.239 496 D C -1.662 174.596 176.300 -0.070 0.000 1.136 496 D CA -1.189 52.808 54.000 -0.005 0.000 0.879 496 D CB 1.736 42.571 40.800 0.059 0.000 1.195 496 D HN 0.267 nan 8.370 nan 0.000 0.443 497 P HA -0.195 nan 4.420 nan 0.000 0.216 497 P C 1.532 178.743 177.300 -0.148 0.000 1.154 497 P CA 1.308 64.340 63.100 -0.113 0.000 0.865 497 P CB 0.015 31.679 31.700 -0.059 0.000 0.789 498 V N -4.113 115.662 119.914 -0.231 0.000 2.688 498 V HA -0.244 3.876 4.120 0.000 0.000 0.256 498 V C 1.526 177.410 176.094 -0.351 0.000 1.084 498 V CA 1.765 63.866 62.300 -0.331 0.000 1.103 498 V CB -1.958 29.588 31.823 -0.461 0.000 0.688 498 V HN 0.097 nan 8.190 nan 0.000 0.480 499 Y N -0.149 120.151 120.300 -0.000 0.000 2.458 499 Y HA 0.401 4.951 4.550 0.000 0.000 0.254 499 Y C 2.530 178.453 175.900 0.039 0.000 1.120 499 Y CA 0.011 58.180 58.100 0.115 0.000 1.282 499 Y CB -0.332 38.214 38.460 0.143 0.000 1.109 499 Y HN 0.105 nan 8.280 nan 0.000 0.526 500 R N 1.229 121.721 120.500 -0.014 0.000 2.139 500 R HA -0.227 4.113 4.340 0.000 0.000 0.243 500 R C 2.237 178.555 176.300 0.030 0.000 1.145 500 R CA 1.833 57.852 56.100 -0.134 0.000 0.976 500 R CB -0.327 29.773 30.300 -0.334 0.000 0.866 500 R HN 0.596 nan 8.270 nan 0.000 0.449 501 Q N -1.140 118.580 119.800 -0.134 0.000 2.297 501 Q HA -0.214 4.126 4.340 0.000 0.000 0.208 501 Q C 0.803 176.643 176.000 -0.267 0.000 0.981 501 Q CA 1.616 57.274 55.803 -0.241 0.000 0.876 501 Q CB -0.224 28.240 28.738 -0.456 0.000 0.921 501 Q HN 0.541 nan 8.270 nan 0.000 0.446 502 Y N -0.545 119.789 120.300 0.057 0.000 2.482 502 Y HA 0.139 4.689 4.550 0.000 0.000 0.270 502 Y C 0.965 176.650 175.900 -0.359 0.000 1.152 502 Y CA 0.037 58.054 58.100 -0.137 0.000 1.292 502 Y CB 0.614 38.968 38.460 -0.176 0.000 1.070 502 Y HN 0.279 nan 8.280 nan 0.000 0.528 503 H N -1.742 117.459 119.070 0.218 0.000 2.575 503 H HA 0.104 4.660 4.556 0.000 0.000 0.256 503 H C 1.106 176.594 175.328 0.267 0.000 1.162 503 H CA -0.071 56.096 56.048 0.197 0.000 0.969 503 H CB 0.010 29.852 29.762 0.132 0.000 1.796 503 H HN 0.493 nan 8.280 nan 0.000 0.607 504 H N 2.231 121.412 119.070 0.185 0.000 2.357 504 H HA -0.151 4.405 4.556 0.000 0.000 0.296 504 H C 1.552 176.879 175.328 -0.001 0.000 1.108 504 H CA 2.087 58.184 56.048 0.081 0.000 1.273 504 H CB 0.365 30.143 29.762 0.027 0.000 1.367 504 H HN 0.588 nan 8.280 nan 0.000 0.498 505 D N 0.601 121.074 120.400 0.122 0.000 2.311 505 D HA -0.170 4.470 4.640 0.000 0.000 0.212 505 D C 1.723 178.063 176.300 0.067 0.000 0.972 505 D CA 0.833 54.891 54.000 0.095 0.000 0.887 505 D CB -0.372 40.489 40.800 0.102 0.000 0.915 505 D HN 0.355 nan 8.370 nan 0.000 0.497 506 K N -0.683 119.723 120.400 0.009 0.000 2.280 506 K HA -0.061 4.259 4.320 0.000 0.000 0.202 506 K C 1.661 178.146 176.600 -0.192 0.000 1.047 506 K CA 0.425 56.680 56.287 -0.053 0.000 0.942 506 K CB 0.157 32.656 32.500 -0.003 0.000 0.739 506 K HN 0.100 nan 8.250 nan 0.000 0.457 507 L N -0.416 120.609 121.223 -0.330 0.000 2.408 507 L HA -0.005 4.335 4.340 0.000 0.000 0.215 507 L C 2.183 179.162 176.870 0.182 0.000 1.081 507 L CA 1.417 56.076 54.840 -0.301 0.000 0.840 507 L CB -0.147 41.439 42.059 -0.788 0.000 1.002 507 L HN 0.200 nan 8.230 nan 0.000 0.468 508 T N -4.877 109.773 114.554 0.160 0.000 3.057 508 T HA -0.067 4.283 4.350 0.000 0.000 0.254 508 T C 1.873 176.821 174.700 0.414 0.000 1.094 508 T CA 0.167 62.492 62.100 0.374 0.000 1.088 508 T CB -0.594 68.304 68.868 0.050 0.000 0.934 508 T HN 0.111 nan 8.240 nan 0.000 0.497 509 F N 2.699 122.764 119.950 0.192 0.000 2.171 509 F HA 0.111 4.639 4.527 0.002 0.000 0.300 509 F C 2.464 178.392 175.800 0.214 0.000 1.090 509 F CA 1.217 59.346 58.000 0.214 0.000 1.293 509 F CB -0.642 38.478 39.000 0.199 0.000 1.013 509 F HN 0.273 nan 8.300 nan 0.000 0.486 510 G N 1.429 110.348 108.800 0.198 0.000 2.547 510 G HA2 -0.332 3.628 3.960 0.000 0.000 0.221 510 G HA3 -0.332 3.628 3.960 0.000 0.000 0.221 510 G C 1.595 176.255 174.900 -0.401 0.000 1.140 510 G CA 1.365 46.404 45.100 -0.102 0.000 0.760 510 G HN 0.383 nan 8.290 nan 0.000 0.583 511 I N 0.903 121.400 120.570 -0.121 0.000 2.208 511 I HA -0.112 4.058 4.170 0.000 0.000 0.245 511 I C 2.889 178.837 176.117 -0.283 0.000 1.097 511 I CA 0.819 61.910 61.300 -0.348 0.000 1.363 511 I CB -1.151 36.695 38.000 -0.257 0.000 1.051 511 I HN 0.204 nan 8.210 nan 0.000 0.413 512 L N 0.230 121.331 121.223 -0.204 0.000 2.043 512 L HA -0.251 4.089 4.340 0.000 0.000 0.212 512 L C 2.449 179.257 176.870 -0.102 0.000 1.075 512 L CA 1.838 56.596 54.840 -0.136 0.000 0.752 512 L CB -0.841 41.097 42.059 -0.202 0.000 0.891 512 L HN 0.403 nan 8.230 nan 0.000 0.432 513 Y N -3.356 116.810 120.300 -0.224 0.000 2.485 513 Y HA 0.212 4.761 4.550 -0.001 0.000 0.260 513 Y C 1.863 177.762 175.900 -0.002 0.000 1.173 513 Y CA -0.380 57.675 58.100 -0.074 0.000 1.252 513 Y CB -1.071 37.370 38.460 -0.031 0.000 1.123 513 Y HN 0.092 nan 8.280 nan 0.000 0.524 514 N N 0.745 119.145 118.700 -0.500 0.000 2.272 514 N HA -0.227 4.514 4.740 0.000 0.000 0.185 514 N C 0.259 175.424 175.510 -0.575 0.000 1.014 514 N CA 1.332 54.047 53.050 -0.557 0.000 0.870 514 N CB -0.185 37.721 38.487 -0.969 0.000 0.975 514 N HN 0.544 nan 8.380 nan 0.000 0.433 515 Y N 0.038 120.338 120.300 0.001 0.000 2.461 515 Y HA 0.101 4.650 4.550 -0.001 0.000 0.277 515 Y C 2.264 178.135 175.900 -0.048 0.000 1.182 515 Y CA 0.548 58.635 58.100 -0.022 0.000 1.276 515 Y CB -0.127 38.316 38.460 -0.028 0.000 1.087 515 Y HN 0.129 nan 8.280 nan 0.000 0.519 516 T N -3.409 111.155 114.554 0.017 0.000 3.057 516 T HA 0.131 4.481 4.350 0.000 0.000 0.254 516 T C 0.432 175.030 174.700 -0.170 0.000 1.094 516 T CA 0.377 62.473 62.100 -0.007 0.000 1.088 516 T CB 0.319 69.244 68.868 0.095 0.000 0.934 516 T HN -0.003 nan 8.240 nan 0.000 0.497 517 E N 1.158 121.121 120.200 -0.395 0.000 2.433 517 E HA 0.355 4.706 4.350 0.000 0.000 0.278 517 E C -1.376 174.714 176.600 -0.850 0.000 0.976 517 E CA -0.803 55.173 56.400 -0.707 0.000 0.793 517 E CB 1.304 30.316 29.700 -1.147 0.000 1.311 517 E HN 0.081 nan 8.360 nan 0.000 0.460 518 N N 1.590 119.780 118.700 -0.850 0.000 2.521 518 N HA 0.265 5.005 4.740 0.000 0.000 0.236 518 N C -0.756 174.522 175.510 -0.388 0.000 1.067 518 N CA 0.103 52.512 53.050 -1.069 0.000 0.939 518 N CB -0.084 37.624 38.487 -1.298 0.000 1.201 518 N HN 0.215 nan 8.380 nan 0.000 0.511 519 F N 0.405 120.379 119.950 0.040 0.000 2.375 519 F HA 0.299 4.829 4.527 0.005 0.000 0.333 519 F C 0.876 176.788 175.800 0.187 0.000 1.104 519 F CA -0.845 57.239 58.000 0.140 0.000 1.149 519 F CB 1.121 40.152 39.000 0.052 0.000 1.190 519 F HN -0.016 nan 8.300 nan 0.000 0.533 520 V N 4.439 124.560 119.914 0.346 0.000 2.435 520 V HA 0.279 4.399 4.120 0.000 0.000 0.290 520 V C -0.109 175.877 176.094 -0.181 0.000 1.030 520 V CA -0.874 61.445 62.300 0.032 0.000 0.881 520 V CB 1.571 33.389 31.823 -0.009 0.000 0.983 520 V HN 0.481 nan 8.190 nan 0.000 0.445 521 L N 7.853 128.834 121.223 -0.404 0.000 2.261 521 L HA 0.459 4.799 4.340 0.000 0.000 0.289 521 L C -2.413 174.165 176.870 -0.486 0.000 1.059 521 L CA -1.299 53.179 54.840 -0.604 0.000 0.816 521 L CB 1.329 42.742 42.059 -1.078 0.000 1.191 521 L HN 0.447 nan 8.230 nan 0.000 0.431 522 P HA 0.273 nan 4.420 nan 0.000 0.306 522 P C -0.998 176.135 177.300 -0.278 0.000 1.415 522 P CA -0.674 62.088 63.100 -0.564 0.000 0.959 522 P CB 2.254 33.253 31.700 -1.167 0.000 1.003 523 L N 3.030 124.144 121.223 -0.182 0.000 2.397 523 L HA 0.289 4.629 4.340 0.000 0.000 0.263 523 L C 1.058 177.879 176.870 -0.082 0.000 1.136 523 L CA 0.161 54.979 54.840 -0.037 0.000 1.019 523 L CB -0.551 41.571 42.059 0.105 0.000 1.352 523 L HN 0.417 nan 8.230 nan 0.000 0.420 524 S N 0.259 115.847 115.700 -0.186 0.000 2.738 524 S HA 0.275 4.745 4.470 0.000 0.000 0.284 524 S C 1.457 175.827 174.600 -0.385 0.000 1.146 524 S CA 0.048 58.114 58.200 -0.223 0.000 0.997 524 S CB 0.592 63.658 63.200 -0.224 0.000 1.081 524 S HN 0.743 nan 8.310 nan 0.000 0.553 525 H N -0.821 117.779 119.070 -0.784 0.000 2.457 525 H HA 0.028 4.584 4.556 -0.000 0.000 0.297 525 H C 0.953 175.968 175.328 -0.521 0.000 1.092 525 H CA 1.674 56.907 56.048 -1.358 0.000 1.309 525 H CB -0.515 28.004 29.762 -2.072 0.000 1.382 525 H HN 0.550 nan 8.280 nan 0.000 0.535 526 D N 0.570 120.511 120.400 -0.765 0.000 2.310 526 D HA -0.095 4.545 4.640 0.000 0.000 0.212 526 D C 1.347 177.580 176.300 -0.111 0.000 0.965 526 D CA 0.752 54.579 54.000 -0.290 0.000 0.879 526 D CB 0.019 40.708 40.800 -0.185 0.000 0.921 526 D HN 0.555 nan 8.370 nan 0.000 0.510 527 E N -0.045 120.073 120.200 -0.136 0.000 2.447 527 E HA -0.005 4.345 4.350 0.000 0.000 0.195 527 E C 1.409 178.002 176.600 -0.011 0.000 1.028 527 E CA 0.174 56.544 56.400 -0.049 0.000 0.876 527 E CB 0.630 30.300 29.700 -0.050 0.000 0.885 527 E HN 0.231 nan 8.360 nan 0.000 0.500 528 V N -1.402 118.500 119.914 -0.019 0.000 2.915 528 V HA 0.344 4.465 4.120 0.000 0.000 0.364 528 V C 0.392 176.534 176.094 0.080 0.000 1.354 528 V CA -0.583 61.747 62.300 0.049 0.000 1.213 528 V CB -0.282 31.599 31.823 0.098 0.000 1.268 528 V HN -0.093 nan 8.190 nan 0.000 0.557 529 V N -4.425 115.501 119.914 0.021 0.000 3.105 529 V HA 0.670 4.790 4.120 0.000 0.000 0.311 529 V C 0.602 176.691 176.094 -0.009 0.000 1.287 529 V CA -0.790 61.476 62.300 -0.057 0.000 1.066 529 V CB 1.336 33.003 31.823 -0.260 0.000 1.105 529 V HN 0.458 nan 8.190 nan 0.000 0.462 530 H N 0.315 119.470 119.070 0.142 0.000 2.594 530 H HA -0.165 4.391 4.556 0.000 0.000 0.316 530 H C 1.406 176.774 175.328 0.068 0.000 1.107 530 H CA 1.655 57.764 56.048 0.103 0.000 1.133 530 H CB -1.625 28.201 29.762 0.107 0.000 1.459 530 H HN 2.248 nan 8.280 nan 0.000 0.411 531 G N -0.595 108.292 108.800 0.144 0.000 2.147 531 G HA2 -0.385 3.576 3.960 0.000 0.000 0.244 531 G HA3 -0.385 3.576 3.960 0.000 0.000 0.244 531 G C 1.062 176.005 174.900 0.071 0.000 1.005 531 G CA 0.696 45.851 45.100 0.091 0.000 0.713 531 G HN 0.558 nan 8.290 nan 0.000 0.515 532 K N 0.045 120.490 120.400 0.073 0.000 2.393 532 K HA 0.302 4.622 4.320 0.000 0.000 0.193 532 K C 1.023 177.642 176.600 0.031 0.000 1.026 532 K CA 0.615 56.933 56.287 0.051 0.000 1.064 532 K CB 0.179 32.713 32.500 0.057 0.000 0.833 532 K HN 0.590 nan 8.250 nan 0.000 0.521 533 K N -0.128 120.294 120.400 0.036 0.000 3.538 533 K HA -0.150 4.171 4.320 0.000 0.000 0.805 533 K C -0.223 176.395 176.600 0.031 0.000 2.554 533 K CA 0.370 56.673 56.287 0.027 0.000 1.613 533 K CB -1.070 31.433 32.500 0.004 0.000 2.711 533 K HN 0.316 nan 8.250 nan 0.000 0.184 534 S N 0.018 115.735 115.700 0.027 0.000 2.626 534 S HA 0.287 4.757 4.470 0.000 0.000 0.257 534 S C 1.516 176.122 174.600 0.010 0.000 1.288 534 S CA -0.670 57.549 58.200 0.032 0.000 0.980 534 S CB 0.448 63.663 63.200 0.024 0.000 0.975 534 S HN 0.448 nan 8.310 nan 0.000 0.577 535 I N 0.201 120.789 120.570 0.030 0.000 2.286 535 I HA -0.062 4.108 4.170 0.000 0.000 0.245 535 I C 2.382 178.459 176.117 -0.065 0.000 1.104 535 I CA 0.932 62.248 61.300 0.025 0.000 1.397 535 I CB -1.735 36.352 38.000 0.143 0.000 1.072 535 I HN 0.628 nan 8.210 nan 0.000 0.417 536 L N 1.528 122.693 121.223 -0.098 0.000 2.013 536 L HA -0.244 4.097 4.340 0.000 0.000 0.212 536 L C 1.911 178.656 176.870 -0.210 0.000 1.073 536 L CA 2.092 56.795 54.840 -0.230 0.000 0.753 536 L CB -0.876 41.021 42.059 -0.270 0.000 0.890 536 L HN 0.139 nan 8.230 nan 0.000 0.432 537 D N -0.973 119.353 120.400 -0.124 0.000 2.310 537 D HA -0.112 4.528 4.640 0.000 0.000 0.212 537 D C 2.314 178.555 176.300 -0.097 0.000 0.965 537 D CA 0.602 54.544 54.000 -0.098 0.000 0.879 537 D CB -0.045 40.727 40.800 -0.046 0.000 0.921 537 D HN 0.314 nan 8.370 nan 0.000 0.510 538 R N -0.503 119.935 120.500 -0.103 0.000 2.148 538 R HA -0.009 4.331 4.340 0.000 0.000 0.227 538 R C 0.503 176.715 176.300 -0.147 0.000 1.103 538 R CA 0.493 56.524 56.100 -0.114 0.000 0.983 538 R CB 0.111 30.341 30.300 -0.116 0.000 0.874 538 R HN 0.116 nan 8.270 nan 0.000 0.451 539 M N 1.704 121.198 119.600 -0.176 0.000 2.238 539 M HA 0.166 4.646 4.480 0.000 0.000 0.347 539 M C -2.072 174.136 176.300 -0.154 0.000 1.173 539 M CA -2.324 52.861 55.300 -0.192 0.000 1.147 539 M CB 0.266 32.718 32.600 -0.245 0.000 1.547 539 M HN -0.113 nan 8.290 nan 0.000 0.455 540 P HA 0.684 nan 4.420 nan 0.000 0.287 540 P C 0.007 177.263 177.300 -0.073 0.000 1.270 540 P CA 0.077 63.122 63.100 -0.091 0.000 0.844 540 P CB 1.662 33.315 31.700 -0.079 0.000 1.068 541 G N 1.515 110.289 108.800 -0.044 0.000 2.409 541 G HA2 -0.026 3.934 3.960 0.000 0.000 0.421 541 G HA3 -0.026 3.934 3.960 0.000 0.000 0.421 541 G C -1.126 173.770 174.900 -0.007 0.000 1.259 541 G CA -0.249 44.843 45.100 -0.013 0.000 1.011 541 G HN 0.830 nan 8.290 nan 0.000 0.497 542 D N 0.454 120.872 120.400 0.031 0.000 2.377 542 D HA 0.572 5.212 4.640 0.000 0.000 0.245 542 D C 1.756 178.062 176.300 0.011 0.000 1.196 542 D CA 0.604 54.629 54.000 0.043 0.000 0.962 542 D CB 1.086 41.937 40.800 0.084 0.000 1.127 542 D HN 1.317 nan 8.370 nan 0.000 0.471 543 A N 1.001 123.815 122.820 -0.010 0.000 1.884 543 A HA -0.246 4.075 4.320 0.000 0.000 0.219 543 A C 2.052 179.419 177.584 -0.362 0.000 1.197 543 A CA 2.117 54.048 52.037 -0.177 0.000 0.637 543 A CB -1.685 17.215 19.000 -0.167 0.000 0.827 543 A HN 0.867 nan 8.150 nan 0.000 0.450 544 W N 0.492 121.564 121.300 -0.379 0.000 2.325 544 W HA -0.250 4.410 4.660 0.001 0.000 0.299 544 W C 2.370 178.793 176.519 -0.160 0.000 1.215 544 W CA 2.231 59.410 57.345 -0.276 0.000 1.244 544 W CB -0.122 29.346 29.460 0.015 0.000 1.140 544 W HN 0.497 nan 8.180 nan 0.000 0.523 545 Q N -0.299 119.575 119.800 0.124 0.000 2.269 545 Q HA -0.119 4.221 4.340 0.000 0.000 0.201 545 Q C 2.075 177.959 176.000 -0.194 0.000 0.946 545 Q CA 1.130 56.948 55.803 0.024 0.000 0.877 545 Q CB -0.170 28.668 28.738 0.168 0.000 0.963 545 Q HN 0.280 nan 8.270 nan 0.000 0.472 546 K N 0.276 120.533 120.400 -0.238 0.000 2.002 546 K HA -0.130 4.190 4.320 0.000 0.000 0.209 546 K C 1.652 177.953 176.600 -0.499 0.000 1.048 546 K CA 1.467 57.535 56.287 -0.364 0.000 0.930 546 K CB -0.099 32.143 32.500 -0.430 0.000 0.714 546 K HN 0.089 nan 8.250 nan 0.000 0.438 547 F N 0.641 120.273 119.950 -0.529 0.000 2.234 547 F HA -0.115 4.412 4.527 0.000 0.000 0.299 547 F C 2.361 177.868 175.800 -0.488 0.000 1.087 547 F CA 0.944 58.636 58.000 -0.514 0.000 1.340 547 F CB -0.467 38.140 39.000 -0.656 0.000 1.031 547 F HN 0.062 nan 8.300 nan 0.000 0.500 548 A N 0.331 122.864 122.820 -0.479 0.000 1.873 548 A HA -0.180 4.140 4.320 0.000 0.000 0.215 548 A C 2.219 179.648 177.584 -0.258 0.000 1.186 548 A CA 1.711 53.443 52.037 -0.507 0.000 0.616 548 A CB -0.809 17.656 19.000 -0.891 0.000 0.823 548 A HN 0.324 nan 8.150 nan 0.000 0.442 549 N N -0.233 118.341 118.700 -0.210 0.000 2.094 549 N HA -0.178 4.562 4.740 0.000 0.000 0.191 549 N C 1.694 177.150 175.510 -0.090 0.000 1.023 549 N CA 1.725 54.714 53.050 -0.103 0.000 0.857 549 N CB -0.437 37.977 38.487 -0.120 0.000 1.013 549 N HN 0.416 nan 8.380 nan 0.000 0.426 550 L N 1.973 123.069 121.223 -0.212 0.000 2.017 550 L HA -0.109 4.231 4.340 0.000 0.000 0.208 550 L C 2.349 179.009 176.870 -0.350 0.000 1.073 550 L CA 1.552 56.209 54.840 -0.307 0.000 0.745 550 L CB -0.327 41.485 42.059 -0.412 0.000 0.894 550 L HN 0.031 nan 8.230 nan 0.000 0.432 551 R N -0.664 119.694 120.500 -0.236 0.000 2.081 551 R HA -0.108 4.232 4.340 0.000 0.000 0.235 551 R C 2.226 178.501 176.300 -0.041 0.000 1.131 551 R CA 1.253 57.255 56.100 -0.163 0.000 0.960 551 R CB -0.689 29.529 30.300 -0.138 0.000 0.856 551 R HN 0.529 nan 8.270 nan 0.000 0.436 552 A N 0.577 123.396 122.820 -0.002 0.000 1.902 552 A HA -0.220 4.100 4.320 0.000 0.000 0.217 552 A C 1.991 179.767 177.584 0.319 0.000 1.181 552 A CA 1.134 53.214 52.037 0.071 0.000 0.623 552 A CB -0.816 18.170 19.000 -0.022 0.000 0.818 552 A HN 0.484 nan 8.150 nan 0.000 0.443 553 Y N -1.101 119.323 120.300 0.206 0.000 2.097 553 Y HA -0.326 4.224 4.550 0.001 0.000 0.282 553 Y C 2.363 178.605 175.900 0.569 0.000 1.152 553 Y CA 2.021 60.336 58.100 0.358 0.000 1.136 553 Y CB -0.268 38.277 38.460 0.141 0.000 0.975 553 Y HN 0.387 nan 8.280 nan 0.000 0.498 554 Y N 0.142 120.558 120.300 0.194 0.000 2.224 554 Y HA -0.135 4.415 4.550 0.001 0.000 0.289 554 Y C 2.666 178.742 175.900 0.294 0.000 1.146 554 Y CA 0.756 58.959 58.100 0.172 0.000 1.182 554 Y CB -1.487 36.985 38.460 0.021 0.000 0.983 554 Y HN 0.250 nan 8.280 nan 0.000 0.524 555 G N -0.786 108.241 108.800 0.378 0.000 2.450 555 G HA2 -0.268 3.692 3.960 0.000 0.000 0.220 555 G HA3 -0.268 3.692 3.960 0.000 0.000 0.220 555 G C 1.658 176.976 174.900 0.697 0.000 1.130 555 G CA 0.656 45.970 45.100 0.356 0.000 0.760 555 G HN 0.570 nan 8.290 nan 0.000 0.557 556 W N 0.501 122.098 121.300 0.494 0.000 2.443 556 W HA 0.083 4.744 4.660 0.002 0.000 0.296 556 W C 2.225 179.091 176.519 0.579 0.000 1.202 556 W CA 1.021 58.719 57.345 0.588 0.000 1.312 556 W CB -0.136 29.713 29.460 0.648 0.000 1.120 556 W HN 0.277 nan 8.180 nan 0.000 0.536 557 M N -0.165 119.791 119.600 0.594 0.000 2.132 557 M HA -0.223 4.258 4.480 0.000 0.000 0.263 557 M C 2.133 178.518 176.300 0.142 0.000 1.065 557 M CA 1.996 57.498 55.300 0.338 0.000 1.122 557 M CB -0.903 31.854 32.600 0.262 0.000 1.365 557 M HN 0.017 nan 8.290 nan 0.000 0.411 558 W N 0.091 121.456 121.300 0.108 0.000 2.519 558 W HA -0.030 4.631 4.660 0.002 0.000 0.266 558 W C 2.139 178.691 176.519 0.054 0.000 1.253 558 W CA 1.032 58.389 57.345 0.021 0.000 1.274 558 W CB -0.034 29.521 29.460 0.159 0.000 1.114 558 W HN 0.426 nan 8.180 nan 0.000 0.596 559 A N -0.905 122.106 122.820 0.318 0.000 2.044 559 A HA 0.002 4.322 4.320 0.000 0.000 0.213 559 A C 0.480 178.075 177.584 0.019 0.000 1.169 559 A CA -0.036 51.988 52.037 -0.021 0.000 0.724 559 A CB -0.706 18.226 19.000 -0.114 0.000 0.840 559 A HN 0.040 nan 8.150 nan 0.000 0.463 560 F N 1.352 121.163 119.950 -0.232 0.000 2.484 560 F HA 0.382 4.910 4.527 0.001 0.000 0.360 560 F C -2.243 173.279 175.800 -0.464 0.000 1.101 560 F CA -2.355 55.353 58.000 -0.487 0.000 1.251 560 F CB 0.662 39.333 39.000 -0.548 0.000 1.132 560 F HN -0.042 nan 8.300 nan 0.000 0.570 561 P HA 0.254 nan 4.420 nan 0.000 0.261 561 P C -0.582 176.487 177.300 -0.386 0.000 1.183 561 P CA 0.615 63.342 63.100 -0.623 0.000 0.761 561 P CB 0.149 31.331 31.700 -0.863 0.000 0.785 562 G N 1.608 110.250 108.800 -0.263 0.000 2.316 562 G HA2 0.099 4.059 3.960 0.000 0.000 0.468 562 G HA3 0.099 4.059 3.960 0.000 0.000 0.468 562 G C -1.263 173.552 174.900 -0.141 0.000 1.523 562 G CA -0.994 44.048 45.100 -0.097 0.000 0.972 562 G HN 0.230 nan 8.290 nan 0.000 0.667 563 K N 0.491 120.887 120.400 -0.007 0.000 2.187 563 K HA 0.432 4.752 4.320 0.000 0.000 0.247 563 K C 0.331 176.727 176.600 -0.340 0.000 1.019 563 K CA -0.090 56.132 56.287 -0.109 0.000 0.893 563 K CB 0.457 32.915 32.500 -0.070 0.000 1.025 563 K HN 0.519 nan 8.250 nan 0.000 0.500 564 K N 1.059 121.198 120.400 -0.436 0.000 2.207 564 K HA 0.500 4.820 4.320 0.000 0.000 0.255 564 K C -0.343 176.012 176.600 -0.408 0.000 0.941 564 K CA -0.779 55.124 56.287 -0.640 0.000 0.825 564 K CB 1.651 33.443 32.500 -1.180 0.000 1.119 564 K HN 0.554 nan 8.250 nan 0.000 0.430 565 L N 2.548 123.527 121.223 -0.406 0.000 2.436 565 L HA 0.554 4.895 4.340 0.000 0.000 0.268 565 L C -1.848 174.921 176.870 -0.168 0.000 0.974 565 L CA -1.070 53.622 54.840 -0.247 0.000 0.826 565 L CB 1.732 43.581 42.059 -0.350 0.000 1.291 565 L HN 0.565 nan 8.230 nan 0.000 0.406 566 L N 4.145 125.368 121.223 0.000 0.000 2.436 566 L HA 0.537 4.877 4.340 0.000 0.000 0.268 566 L C -1.364 175.549 176.870 0.073 0.000 0.974 566 L CA -0.148 54.746 54.840 0.090 0.000 0.826 566 L CB 1.876 44.109 42.059 0.290 0.000 1.291 566 L HN 0.561 nan 8.230 nan 0.000 0.406 567 F N 5.870 125.760 119.950 -0.100 0.000 2.396 567 F HA 0.484 5.011 4.527 -0.000 0.000 0.343 567 F C 0.638 176.314 175.800 -0.208 0.000 1.104 567 F CA -0.923 56.952 58.000 -0.208 0.000 1.161 567 F CB 1.005 39.880 39.000 -0.210 0.000 1.146 567 F HN 0.620 nan 8.300 nan 0.000 0.522 568 M N 4.740 123.618 119.600 -1.204 0.000 2.226 568 M HA 0.259 4.739 4.480 0.000 0.000 0.352 568 M C 0.909 176.821 176.300 -0.648 0.000 1.226 568 M CA 1.239 56.056 55.300 -0.806 0.000 0.943 568 M CB -0.623 31.495 32.600 -0.804 0.000 1.805 568 M HN 1.030 nan 8.290 nan 0.000 0.465 569 G N 2.773 111.298 108.800 -0.458 0.000 2.279 569 G HA2 -0.305 3.655 3.960 0.000 0.000 0.223 569 G HA3 -0.305 3.655 3.960 0.000 0.000 0.223 569 G C 0.616 175.116 174.900 -0.667 0.000 1.015 569 G CA 0.479 45.060 45.100 -0.865 0.000 0.621 569 G HN 0.858 nan 8.290 nan 0.000 0.506 570 N N 1.167 119.734 118.700 -0.222 0.000 2.396 570 N HA 0.021 4.761 4.740 0.000 0.000 0.180 570 N C 1.991 177.559 175.510 0.097 0.000 1.028 570 N CA 1.030 54.084 53.050 0.007 0.000 0.893 570 N CB -0.124 38.460 38.487 0.162 0.000 0.967 570 N HN 0.679 nan 8.380 nan 0.000 0.440 571 E N 1.635 121.882 120.200 0.078 0.000 2.274 571 E HA -0.169 4.181 4.350 0.000 0.000 0.194 571 E C 0.683 177.472 176.600 0.316 0.000 0.996 571 E CA 0.897 57.449 56.400 0.253 0.000 0.840 571 E CB -0.265 29.683 29.700 0.414 0.000 0.772 571 E HN 0.643 nan 8.360 nan 0.000 0.491 572 F N -1.201 118.888 119.950 0.231 0.000 2.698 572 F HA 0.737 5.264 4.527 0.000 0.000 0.304 572 F C 0.575 176.571 175.800 0.326 0.000 1.108 572 F CA -0.644 57.494 58.000 0.231 0.000 1.263 572 F CB 0.247 39.314 39.000 0.112 0.000 1.013 572 F HN 0.030 nan 8.300 nan 0.000 0.532 573 A N 1.202 124.128 122.820 0.177 0.000 2.519 573 A HA -0.318 4.002 4.320 0.000 0.000 0.297 573 A C 0.530 178.241 177.584 0.211 0.000 1.472 573 A CA 0.963 53.122 52.037 0.204 0.000 0.739 573 A CB -2.385 16.788 19.000 0.289 0.000 1.096 573 A HN 0.805 nan 8.150 nan 0.000 0.414 574 Q N -0.333 119.389 119.800 -0.129 0.000 2.304 574 Q HA 0.266 4.606 4.340 0.000 0.000 0.301 574 Q C 1.464 177.487 176.000 0.039 0.000 1.063 574 Q CA 1.065 56.819 55.803 -0.081 0.000 0.947 574 Q CB 0.367 28.964 28.738 -0.236 0.000 1.201 574 Q HN 0.984 nan 8.270 nan 0.000 0.389 575 G N 4.639 113.490 108.800 0.084 0.000 2.395 575 G HA2 -0.068 3.892 3.960 0.000 0.000 0.214 575 G HA3 -0.068 3.892 3.960 0.000 0.000 0.214 575 G C 0.176 175.111 174.900 0.058 0.000 1.177 575 G CA -0.101 45.052 45.100 0.088 0.000 0.794 575 G HN 0.563 nan 8.290 nan 0.000 0.532 576 R N 1.054 121.592 120.500 0.064 0.000 2.582 576 R HA 0.318 4.658 4.340 0.000 0.000 0.271 576 R C -0.253 176.093 176.300 0.076 0.000 1.078 576 R CA -0.329 55.812 56.100 0.067 0.000 1.127 576 R CB 0.935 31.281 30.300 0.075 0.000 1.038 576 R HN 0.295 nan 8.270 nan 0.000 0.500 577 E N 0.833 121.082 120.200 0.081 0.000 2.438 577 E HA -0.133 4.217 4.350 0.000 0.000 0.261 577 E C -0.593 176.112 176.600 0.176 0.000 1.103 577 E CA -0.051 56.417 56.400 0.114 0.000 0.959 577 E CB 0.393 30.143 29.700 0.084 0.000 0.958 577 E HN 0.353 nan 8.360 nan 0.000 0.447 578 W N 3.453 124.771 121.300 0.030 0.000 2.295 578 W HA -0.041 4.619 4.660 0.001 0.000 0.335 578 W C -0.349 176.191 176.519 0.034 0.000 1.351 578 W CA 0.009 57.388 57.345 0.057 0.000 1.273 578 W CB -0.035 29.496 29.460 0.118 0.000 1.214 578 W HN 0.367 nan 8.180 nan 0.000 0.563 579 N N 4.163 122.668 118.700 -0.324 0.000 2.483 579 N HA 0.065 4.806 4.740 0.000 0.000 0.267 579 N C 0.695 175.811 175.510 -0.657 0.000 0.998 579 N CA -0.562 52.194 53.050 -0.491 0.000 0.918 579 N CB 0.530 38.907 38.487 -0.183 0.000 1.215 579 N HN 0.694 nan 8.380 nan 0.000 0.500 580 H N 1.264 119.816 119.070 -0.863 0.000 2.559 580 H HA 0.072 4.629 4.556 0.000 0.000 0.273 580 H C 0.152 175.542 175.328 0.103 0.000 1.000 580 H CA 0.599 56.376 56.048 -0.451 0.000 1.195 580 H CB 0.225 29.672 29.762 -0.525 0.000 1.368 580 H HN 0.438 nan 8.280 nan 0.000 0.592 581 D N 0.157 120.262 120.400 -0.491 0.000 2.463 581 D HA 0.480 5.120 4.640 0.000 0.000 0.224 581 D C -0.412 175.878 176.300 -0.016 0.000 1.174 581 D CA 0.285 54.184 54.000 -0.169 0.000 0.829 581 D CB 0.217 40.839 40.800 -0.297 0.000 0.993 581 D HN 0.594 nan 8.370 nan 0.000 0.497 582 A N -0.938 121.916 122.820 0.057 0.000 2.612 582 A HA 0.561 4.881 4.320 0.000 0.000 0.293 582 A C -0.329 177.367 177.584 0.187 0.000 1.075 582 A CA -0.681 51.412 52.037 0.094 0.000 0.680 582 A CB 1.139 20.163 19.000 0.039 0.000 1.279 582 A HN -0.029 nan 8.150 nan 0.000 0.411 583 S N 0.047 115.860 115.700 0.187 0.000 2.569 583 S HA 0.399 4.869 4.470 0.000 0.000 0.274 583 S C 0.559 175.273 174.600 0.190 0.000 1.353 583 S CA -0.245 58.090 58.200 0.224 0.000 1.023 583 S CB -0.400 62.923 63.200 0.205 0.000 0.876 583 S HN 0.608 nan 8.310 nan 0.000 0.540 584 L N 2.060 123.369 121.223 0.143 0.000 2.461 584 L HA 0.139 4.479 4.340 0.000 0.000 0.259 584 L C 0.582 177.394 176.870 -0.097 0.000 1.248 584 L CA -0.120 54.689 54.840 -0.052 0.000 0.823 584 L CB 0.082 41.924 42.059 -0.362 0.000 1.111 584 L HN 0.610 nan 8.230 nan 0.000 0.516 585 D N -0.157 120.172 120.400 -0.118 0.000 2.896 585 D HA 0.059 4.699 4.640 0.000 0.000 0.240 585 D C 0.701 176.772 176.300 -0.381 0.000 1.193 585 D CA 0.140 54.071 54.000 -0.114 0.000 0.983 585 D CB -0.056 40.678 40.800 -0.111 0.000 1.074 585 D HN 0.400 nan 8.370 nan 0.000 0.496 586 W N 0.379 121.527 121.300 -0.252 0.000 2.421 586 W HA -0.156 4.504 4.660 -0.000 0.000 0.270 586 W C 2.465 178.755 176.519 -0.382 0.000 1.233 586 W CA 0.473 57.519 57.345 -0.500 0.000 1.226 586 W CB -0.373 28.845 29.460 -0.404 0.000 1.121 586 W HN 0.457 nan 8.180 nan 0.000 0.579 587 H N -0.363 118.699 119.070 -0.012 0.000 2.543 587 H HA -0.092 4.464 4.556 0.000 0.000 0.286 587 H C 1.648 176.933 175.328 -0.072 0.000 1.037 587 H CA 1.168 57.202 56.048 -0.023 0.000 1.250 587 H CB -0.787 28.974 29.762 -0.000 0.000 1.373 587 H HN 0.257 nan 8.280 nan 0.000 0.580 588 L N 0.602 121.444 121.223 -0.635 0.000 2.275 588 L HA -0.061 4.280 4.340 0.000 0.000 0.215 588 L C 1.995 178.673 176.870 -0.320 0.000 1.119 588 L CA 0.590 55.123 54.840 -0.510 0.000 0.790 588 L CB -0.067 41.539 42.059 -0.755 0.000 0.919 588 L HN 0.241 nan 8.230 nan 0.000 0.443 589 L N -0.875 120.152 121.223 -0.327 0.000 2.653 589 L HA 0.153 4.493 4.340 0.000 0.000 0.231 589 L C 0.445 177.331 176.870 0.027 0.000 1.153 589 L CA -0.151 54.483 54.840 -0.343 0.000 0.933 589 L CB 0.012 41.885 42.059 -0.311 0.000 1.175 589 L HN 0.175 nan 8.230 nan 0.000 0.473 590 E N -0.243 119.992 120.200 0.058 0.000 2.283 590 E HA 0.542 4.893 4.350 0.000 0.000 0.267 590 E C 0.629 177.317 176.600 0.147 0.000 1.045 590 E CA 0.288 56.758 56.400 0.117 0.000 0.884 590 E CB 1.295 31.050 29.700 0.093 0.000 1.106 590 E HN 0.153 nan 8.360 nan 0.000 0.408 591 G N 0.664 109.530 108.800 0.110 0.000 2.593 591 G HA2 -0.185 3.775 3.960 0.000 0.000 0.237 591 G HA3 -0.185 3.775 3.960 0.000 0.000 0.237 591 G C 0.294 175.237 174.900 0.072 0.000 1.312 591 G CA -0.747 44.399 45.100 0.078 0.000 0.896 591 G HN 0.788 nan 8.290 nan 0.000 0.574 592 G N -0.577 108.245 108.800 0.036 0.000 2.594 592 G HA2 0.451 4.411 3.960 0.000 0.000 0.243 592 G HA3 0.451 4.411 3.960 0.000 0.000 0.243 592 G C 0.013 174.915 174.900 0.003 0.000 1.229 592 G CA 0.882 45.979 45.100 -0.006 0.000 0.843 592 G HN 0.949 nan 8.290 nan 0.000 0.578 593 D N -0.123 120.229 120.400 -0.080 0.000 2.531 593 D HA 0.179 4.819 4.640 0.000 0.000 0.239 593 D C 0.670 177.006 176.300 0.060 0.000 1.144 593 D CA 0.564 54.525 54.000 -0.065 0.000 0.869 593 D CB 0.398 41.171 40.800 -0.046 0.000 1.160 593 D HN 0.557 nan 8.370 nan 0.000 0.484 594 N N 1.793 120.612 118.700 0.198 0.000 3.283 594 N HA 0.283 5.023 4.740 0.000 0.000 0.338 594 N C 0.137 175.423 175.510 -0.374 0.000 1.517 594 N CA -0.846 52.033 53.050 -0.285 0.000 0.733 594 N CB -0.041 38.375 38.487 -0.118 0.000 1.797 594 N HN 0.273 nan 8.380 nan 0.000 0.637 595 W N -0.043 120.890 121.300 -0.612 0.000 2.465 595 W HA -0.018 4.642 4.660 0.000 0.000 0.268 595 W C 1.485 177.711 176.519 -0.488 0.000 1.242 595 W CA 0.950 57.782 57.345 -0.855 0.000 1.248 595 W CB -0.725 27.576 29.460 -1.932 0.000 1.118 595 W HN 0.594 nan 8.180 nan 0.000 0.587 596 H N -1.962 117.158 119.070 0.083 0.000 2.403 596 H HA -0.052 4.504 4.556 0.000 0.000 0.298 596 H C 2.025 177.462 175.328 0.181 0.000 1.059 596 H CA 1.194 57.362 56.048 0.201 0.000 1.363 596 H CB -0.463 29.377 29.762 0.131 0.000 1.410 596 H HN 0.208 nan 8.280 nan 0.000 0.528 597 H N 0.113 119.372 119.070 0.314 0.000 2.387 597 H HA -0.079 4.478 4.556 0.000 0.000 0.299 597 H C 2.451 177.964 175.328 0.308 0.000 1.099 597 H CA 1.118 57.335 56.048 0.281 0.000 1.315 597 H CB -0.439 29.456 29.762 0.222 0.000 1.380 597 H HN 0.417 nan 8.280 nan 0.000 0.513 598 G N 0.600 109.686 108.800 0.476 0.000 2.446 598 G HA2 -0.219 3.742 3.960 0.000 0.000 0.217 598 G HA3 -0.219 3.742 3.960 0.000 0.000 0.217 598 G C 1.964 177.076 174.900 0.353 0.000 1.168 598 G CA 1.279 46.662 45.100 0.472 0.000 0.771 598 G HN 0.287 nan 8.290 nan 0.000 0.551 599 V N 0.433 120.531 119.914 0.306 0.000 2.427 599 V HA -0.211 3.909 4.120 0.000 0.000 0.248 599 V C 2.738 178.967 176.094 0.225 0.000 1.051 599 V CA 2.193 64.637 62.300 0.240 0.000 1.048 599 V CB -0.449 31.569 31.823 0.324 0.000 0.666 599 V HN 0.482 nan 8.190 nan 0.000 0.456 600 Q N -0.141 119.844 119.800 0.308 0.000 2.119 600 Q HA -0.198 4.143 4.340 0.000 0.000 0.201 600 Q C 2.503 178.617 176.000 0.191 0.000 0.972 600 Q CA 1.490 57.473 55.803 0.299 0.000 0.847 600 Q CB 0.007 28.988 28.738 0.404 0.000 0.903 600 Q HN 0.560 nan 8.270 nan 0.000 0.433 601 R N -0.029 120.606 120.500 0.225 0.000 2.092 601 R HA -0.138 4.202 4.340 0.000 0.000 0.231 601 R C 2.407 178.749 176.300 0.070 0.000 1.119 601 R CA 1.099 57.317 56.100 0.197 0.000 0.970 601 R CB -0.325 30.162 30.300 0.311 0.000 0.864 601 R HN 0.257 nan 8.270 nan 0.000 0.440 602 L N 0.674 121.828 121.223 -0.116 0.000 2.056 602 L HA -0.110 4.231 4.340 0.000 0.000 0.207 602 L C 1.975 178.576 176.870 -0.449 0.000 1.078 602 L CA 1.523 56.011 54.840 -0.587 0.000 0.749 602 L CB -0.244 41.255 42.059 -0.933 0.000 0.901 602 L HN -0.130 nan 8.230 nan 0.000 0.433 603 V N 0.118 119.838 119.914 -0.324 0.000 2.407 603 V HA -0.265 3.855 4.120 0.000 0.000 0.248 603 V C 2.811 178.609 176.094 -0.493 0.000 1.055 603 V CA 2.077 64.088 62.300 -0.482 0.000 1.049 603 V CB -0.803 30.871 31.823 -0.249 0.000 0.662 603 V HN 0.538 nan 8.190 nan 0.000 0.455 604 R N 0.099 120.413 120.500 -0.309 0.000 2.066 604 R HA -0.171 4.170 4.340 0.000 0.000 0.232 604 R C 2.067 178.186 176.300 -0.302 0.000 1.131 604 R CA 2.032 57.941 56.100 -0.319 0.000 0.955 604 R CB -0.306 29.841 30.300 -0.256 0.000 0.851 604 R HN 0.482 nan 8.270 nan 0.000 0.432 605 D N 0.408 120.664 120.400 -0.240 0.000 2.117 605 D HA -0.152 4.488 4.640 0.000 0.000 0.197 605 D C 1.841 177.993 176.300 -0.246 0.000 0.987 605 D CA 0.791 54.679 54.000 -0.188 0.000 0.829 605 D CB -0.142 40.605 40.800 -0.088 0.000 0.961 605 D HN 0.123 nan 8.370 nan 0.000 0.460 606 L N 1.279 122.241 121.223 -0.435 0.000 1.989 606 L HA -0.143 4.197 4.340 0.000 0.000 0.211 606 L C 1.966 178.707 176.870 -0.216 0.000 1.071 606 L CA 1.476 55.997 54.840 -0.533 0.000 0.749 606 L CB -1.182 40.208 42.059 -1.115 0.000 0.890 606 L HN 0.011 nan 8.230 nan 0.000 0.431 607 N N -0.361 118.161 118.700 -0.296 0.000 2.036 607 N HA -0.193 4.547 4.740 0.000 0.000 0.195 607 N C 1.938 177.526 175.510 0.130 0.000 1.037 607 N CA 1.395 54.483 53.050 0.064 0.000 0.855 607 N CB -0.436 37.919 38.487 -0.219 0.000 1.033 607 N HN 0.296 nan 8.380 nan 0.000 0.423 608 L N 0.339 121.547 121.223 -0.024 0.000 2.046 608 L HA -0.131 4.209 4.340 0.000 0.000 0.208 608 L C 2.155 179.104 176.870 0.131 0.000 1.077 608 L CA 1.167 56.008 54.840 0.001 0.000 0.747 608 L CB -0.820 41.175 42.059 -0.106 0.000 0.896 608 L HN 0.186 nan 8.230 nan 0.000 0.432 609 T N -1.308 113.358 114.554 0.187 0.000 2.770 609 T HA -0.219 4.131 4.350 0.000 0.000 0.263 609 T C 1.711 176.758 174.700 0.577 0.000 1.039 609 T CA 1.197 63.524 62.100 0.379 0.000 1.142 609 T CB -0.423 68.642 68.868 0.327 0.000 0.868 609 T HN 0.291 nan 8.240 nan 0.000 0.435 610 Y N 2.629 123.220 120.300 0.486 0.000 2.114 610 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 610 Y C 2.370 178.520 175.900 0.418 0.000 1.165 610 Y CA 1.445 59.844 58.100 0.498 0.000 1.148 610 Y CB -0.306 38.505 38.460 0.584 0.000 0.972 610 Y HN 0.033 nan 8.280 nan 0.000 0.504 611 R N -1.512 119.069 120.500 0.134 0.000 2.115 611 R HA -0.157 4.183 4.340 0.000 0.000 0.230 611 R C 2.060 178.419 176.300 0.098 0.000 1.111 611 R CA 1.437 57.509 56.100 -0.045 0.000 0.976 611 R CB -0.553 29.733 30.300 -0.024 0.000 0.870 611 R HN 0.480 nan 8.270 nan 0.000 0.445 612 H N -0.291 118.809 119.070 0.049 0.000 2.470 612 H HA 0.063 4.620 4.556 0.001 0.000 0.289 612 H C -0.078 175.147 175.328 -0.172 0.000 1.033 612 H CA 0.854 56.855 56.048 -0.079 0.000 1.331 612 H CB 0.359 30.035 29.762 -0.143 0.000 1.414 612 H HN 0.079 nan 8.280 nan 0.000 0.545 613 H N 0.844 119.944 119.070 0.050 0.000 2.595 613 H HA 0.162 4.718 4.556 -0.000 0.000 0.313 613 H C 0.729 175.906 175.328 -0.251 0.000 1.023 613 H CA -0.347 55.657 56.048 -0.073 0.000 1.218 613 H CB 1.503 31.290 29.762 0.043 0.000 1.403 613 H HN 0.318 nan 8.280 nan 0.000 0.477 614 K N 2.253 122.504 120.400 -0.249 0.000 2.103 614 K HA -0.136 4.185 4.320 0.000 0.000 0.207 614 K C 1.995 178.281 176.600 -0.523 0.000 1.048 614 K CA 1.263 57.216 56.287 -0.557 0.000 0.930 614 K CB 0.177 32.512 32.500 -0.275 0.000 0.716 614 K HN 0.517 nan 8.250 nan 0.000 0.444 615 A N 1.197 123.867 122.820 -0.251 0.000 1.986 615 A HA -0.179 4.141 4.320 0.000 0.000 0.220 615 A C 1.960 179.409 177.584 -0.225 0.000 1.171 615 A CA 1.459 53.375 52.037 -0.201 0.000 0.640 615 A CB -0.365 18.555 19.000 -0.134 0.000 0.811 615 A HN 0.157 nan 8.150 nan 0.000 0.451 616 M N -0.631 118.835 119.600 -0.224 0.000 2.476 616 M HA -0.016 4.464 4.480 0.000 0.000 0.262 616 M C 1.370 177.674 176.300 0.006 0.000 1.079 616 M CA 1.777 57.019 55.300 -0.096 0.000 1.104 616 M CB -1.256 31.401 32.600 0.096 0.000 1.409 616 M HN 0.906 nan 8.290 nan 0.000 0.467 617 H N -2.496 116.520 119.070 -0.091 0.000 3.838 617 H HA 0.200 4.755 4.556 -0.001 0.000 0.255 617 H C 1.286 176.543 175.328 -0.118 0.000 1.074 617 H CA 0.459 56.441 56.048 -0.111 0.000 1.143 617 H CB -0.659 28.926 29.762 -0.295 0.000 1.479 617 H HN 0.382 nan 8.280 nan 0.000 0.644 618 E N 1.216 121.321 120.200 -0.158 0.000 2.347 618 E HA -0.015 4.335 4.350 0.000 0.000 0.196 618 E C 0.186 176.774 176.600 -0.020 0.000 1.008 618 E CA 0.655 57.056 56.400 0.001 0.000 0.852 618 E CB 0.279 29.966 29.700 -0.021 0.000 0.783 618 E HN 0.266 nan 8.360 nan 0.000 0.505 619 L N 1.858 123.028 121.223 -0.089 0.000 3.193 619 L HA 0.186 4.526 4.340 0.000 0.000 0.305 619 L C 0.012 176.774 176.870 -0.179 0.000 1.299 619 L CA -0.062 54.734 54.840 -0.074 0.000 0.904 619 L CB 1.089 43.153 42.059 0.008 0.000 1.331 619 L HN -0.052 nan 8.230 nan 0.000 0.588 620 D N 0.058 120.208 120.400 -0.417 0.000 2.182 620 D HA -0.177 4.464 4.640 0.000 0.000 0.201 620 D C 1.285 177.305 176.300 -0.466 0.000 0.986 620 D CA 1.806 55.431 54.000 -0.625 0.000 0.847 620 D CB 0.078 40.249 40.800 -1.048 0.000 0.942 620 D HN 0.416 nan 8.370 nan 0.000 0.467 621 F N -0.225 119.768 119.950 0.070 0.000 2.647 621 F HA 0.203 4.730 4.527 -0.001 0.000 0.300 621 F C 0.608 176.518 175.800 0.184 0.000 1.106 621 F CA -0.734 57.325 58.000 0.097 0.000 1.313 621 F CB 0.714 39.653 39.000 -0.101 0.000 1.007 621 F HN -0.308 nan 8.300 nan 0.000 0.536 622 D N 0.805 121.340 120.400 0.225 0.000 2.629 622 D HA 0.242 4.882 4.640 0.000 0.000 0.250 622 D C -2.137 174.084 176.300 -0.131 0.000 1.126 622 D CA -2.319 51.697 54.000 0.028 0.000 0.852 622 D CB 2.579 43.420 40.800 0.069 0.000 1.335 622 D HN -0.202 nan 8.370 nan 0.000 0.518 623 P HA -0.147 nan 4.420 nan 0.000 0.218 623 P C 1.223 178.464 177.300 -0.098 0.000 1.146 623 P CA 0.886 63.683 63.100 -0.506 0.000 0.813 623 P CB -0.047 31.370 31.700 -0.471 0.000 0.778 624 Y N 0.476 120.692 120.300 -0.141 0.000 2.298 624 Y HA -0.145 4.407 4.550 0.003 0.000 0.287 624 Y C 2.209 178.077 175.900 -0.053 0.000 1.164 624 Y CA 1.573 59.627 58.100 -0.076 0.000 1.229 624 Y CB -0.679 37.743 38.460 -0.063 0.000 0.977 624 Y HN -0.072 nan 8.280 nan 0.000 0.538 625 G N -1.516 107.253 108.800 -0.052 0.000 2.920 625 G HA2 -0.015 3.945 3.960 0.000 0.000 0.208 625 G HA3 -0.015 3.945 3.960 0.000 0.000 0.208 625 G C -0.567 174.272 174.900 -0.102 0.000 1.159 625 G CA -0.052 44.979 45.100 -0.116 0.000 0.784 625 G HN 0.294 nan 8.290 nan 0.000 0.535 626 F N -0.277 119.509 119.950 -0.274 0.000 2.604 626 F HA 0.592 5.119 4.527 -0.000 0.000 0.316 626 F C -1.263 174.357 175.800 -0.300 0.000 1.136 626 F CA -1.155 56.642 58.000 -0.338 0.000 0.989 626 F CB 1.972 40.692 39.000 -0.467 0.000 1.258 626 F HN 0.026 nan 8.300 nan 0.000 0.451 627 E N 5.171 124.854 120.200 -0.863 0.000 2.335 627 E HA 0.250 4.601 4.350 0.000 0.000 0.280 627 E C -1.924 174.289 176.600 -0.643 0.000 0.918 627 E CA -0.704 55.405 56.400 -0.486 0.000 0.765 627 E CB 1.257 30.828 29.700 -0.215 0.000 1.218 627 E HN 0.681 nan 8.360 nan 0.000 0.425 628 W N 4.392 125.580 121.300 -0.187 0.000 2.190 628 W HA 0.213 4.873 4.660 0.001 0.000 0.330 628 W C 0.905 177.400 176.519 -0.040 0.000 1.299 628 W CA -0.398 56.918 57.345 -0.049 0.000 1.215 628 W CB 0.687 30.229 29.460 0.137 0.000 1.147 628 W HN 0.572 nan 8.180 nan 0.000 0.563 629 L N 2.458 123.837 121.223 0.260 0.000 2.500 629 L HA 0.212 4.552 4.340 0.000 0.000 0.219 629 L C 0.041 176.934 176.870 0.039 0.000 1.057 629 L CA 0.284 55.190 54.840 0.110 0.000 0.854 629 L CB -0.090 41.993 42.059 0.041 0.000 1.078 629 L HN 0.101 nan 8.230 nan 0.000 0.480 630 V N 0.370 120.352 119.914 0.114 0.000 2.501 630 V HA 0.150 4.271 4.120 0.000 0.000 0.277 630 V C 0.308 176.489 176.094 0.145 0.000 1.004 630 V CA -0.108 62.220 62.300 0.046 0.000 0.862 630 V CB 2.301 34.111 31.823 -0.023 0.000 1.035 630 V HN -0.082 nan 8.190 nan 0.000 0.448 631 V N 2.989 122.903 119.914 -0.001 0.000 3.644 631 V HA 0.125 4.245 4.120 0.000 0.000 0.267 631 V C 1.247 177.296 176.094 -0.076 0.000 1.277 631 V CA 1.461 63.548 62.300 -0.354 0.000 1.096 631 V CB 0.572 31.899 31.823 -0.828 0.000 0.828 631 V HN 0.999 nan 8.190 nan 0.000 0.446 632 D N -1.436 118.974 120.400 0.016 0.000 2.501 632 D HA 0.091 4.731 4.640 0.000 0.000 0.224 632 D C 0.318 176.568 176.300 -0.084 0.000 1.202 632 D CA -0.215 53.767 54.000 -0.029 0.000 0.829 632 D CB -0.090 40.707 40.800 -0.004 0.000 1.023 632 D HN 0.305 nan 8.370 nan 0.000 0.499 633 D N 1.474 121.867 120.400 -0.011 0.000 2.619 633 D HA 0.095 4.735 4.640 0.000 0.000 0.224 633 D C 0.969 177.135 176.300 -0.224 0.000 1.133 633 D CA -0.057 53.939 54.000 -0.007 0.000 1.017 633 D CB 0.449 41.363 40.800 0.191 0.000 1.077 633 D HN 0.068 nan 8.370 nan 0.000 0.503 634 K N 0.811 120.918 120.400 -0.490 0.000 2.057 634 K HA -0.175 4.145 4.320 0.000 0.000 0.206 634 K C 1.682 178.150 176.600 -0.221 0.000 1.050 634 K CA 0.980 56.905 56.287 -0.602 0.000 0.935 634 K CB 0.195 32.430 32.500 -0.441 0.000 0.715 634 K HN 0.167 nan 8.250 nan 0.000 0.439 635 E N 1.479 121.593 120.200 -0.142 0.000 2.085 635 E HA -0.181 4.169 4.350 0.000 0.000 0.194 635 E C 1.419 177.996 176.600 -0.038 0.000 0.994 635 E CA 1.529 57.873 56.400 -0.094 0.000 0.801 635 E CB 0.111 29.778 29.700 -0.055 0.000 0.743 635 E HN 0.158 nan 8.360 nan 0.000 0.453 636 R N -0.411 120.102 120.500 0.022 0.000 2.334 636 R HA 0.253 4.593 4.340 0.000 0.000 0.216 636 R C -0.034 176.327 176.300 0.102 0.000 0.905 636 R CA 0.600 56.742 56.100 0.070 0.000 1.064 636 R CB 0.346 30.728 30.300 0.136 0.000 1.046 636 R HN -0.026 nan 8.270 nan 0.000 0.508 637 S N 0.491 116.273 115.700 0.138 0.000 3.559 637 S HA -0.112 4.358 4.470 0.000 0.000 0.369 637 S C -0.157 174.620 174.600 0.294 0.000 0.987 637 S CA 0.522 58.897 58.200 0.292 0.000 1.187 637 S CB -1.092 62.280 63.200 0.288 0.000 0.914 637 S HN 0.125 nan 8.310 nan 0.000 0.480 638 V N 1.694 121.745 119.914 0.229 0.000 2.459 638 V HA 0.663 4.783 4.120 0.000 0.000 0.295 638 V C -0.007 176.215 176.094 0.213 0.000 1.029 638 V CA -0.616 61.751 62.300 0.111 0.000 0.874 638 V CB 1.728 33.473 31.823 -0.130 0.000 0.985 638 V HN 0.349 nan 8.190 nan 0.000 0.438 639 L N 6.242 127.604 121.223 0.232 0.000 2.408 639 L HA 0.683 5.023 4.340 0.000 0.000 0.268 639 L C -0.630 176.462 176.870 0.370 0.000 0.986 639 L CA -0.070 55.015 54.840 0.410 0.000 0.820 639 L CB 2.043 44.473 42.059 0.618 0.000 1.303 639 L HN 0.438 nan 8.230 nan 0.000 0.411 640 I N 3.022 123.806 120.570 0.356 0.000 2.607 640 I HA 0.559 4.729 4.170 0.000 0.000 0.290 640 I C -1.101 175.144 176.117 0.214 0.000 1.129 640 I CA -0.513 60.809 61.300 0.037 0.000 1.042 640 I CB 1.882 39.642 38.000 -0.399 0.000 1.242 640 I HN 0.522 nan 8.210 nan 0.000 0.421 641 F N 4.384 124.280 119.950 -0.090 0.000 2.692 641 F HA 0.846 5.374 4.527 0.001 0.000 0.320 641 F C -1.512 174.006 175.800 -0.469 0.000 1.123 641 F CA -1.231 56.525 58.000 -0.407 0.000 0.961 641 F CB 1.126 39.540 39.000 -0.977 0.000 1.383 641 F HN 0.013 nan 8.300 nan 0.000 0.483 642 V N 2.467 122.183 119.914 -0.330 0.000 2.459 642 V HA 0.578 4.698 4.120 0.000 0.000 0.295 642 V C -0.485 175.444 176.094 -0.274 0.000 1.029 642 V CA -0.725 61.398 62.300 -0.295 0.000 0.874 642 V CB 1.622 33.301 31.823 -0.240 0.000 0.985 642 V HN 0.642 nan 8.190 nan 0.000 0.438 643 R N 3.770 124.147 120.500 -0.205 0.000 2.540 643 R HA 0.632 4.972 4.340 0.000 0.000 0.287 643 R C -0.372 175.816 176.300 -0.187 0.000 0.980 643 R CA -0.641 55.351 56.100 -0.180 0.000 0.966 643 R CB 1.453 31.650 30.300 -0.171 0.000 1.106 643 R HN 0.649 nan 8.270 nan 0.000 0.480 644 R N 1.260 121.643 120.500 -0.195 0.000 2.621 644 R HA 0.190 4.530 4.340 0.000 0.000 0.284 644 R C -0.884 175.334 176.300 -0.138 0.000 0.998 644 R CA -0.598 55.379 56.100 -0.205 0.000 0.895 644 R CB 1.335 31.407 30.300 -0.379 0.000 1.195 644 R HN 0.719 nan 8.270 nan 0.000 0.450 645 D N 2.003 122.353 120.400 -0.084 0.000 2.466 645 D HA 0.124 4.764 4.640 0.000 0.000 0.262 645 D C 0.316 176.660 176.300 0.075 0.000 1.177 645 D CA -0.517 53.460 54.000 -0.040 0.000 1.035 645 D CB 0.831 41.587 40.800 -0.072 0.000 1.105 645 D HN 0.379 nan 8.370 nan 0.000 0.551 646 K N -0.910 119.529 120.400 0.064 0.000 2.280 646 K HA -0.088 4.233 4.320 0.000 0.000 0.202 646 K C 0.901 177.556 176.600 0.092 0.000 1.047 646 K CA 0.998 57.340 56.287 0.093 0.000 0.942 646 K CB 0.073 32.594 32.500 0.034 0.000 0.739 646 K HN 0.427 nan 8.250 nan 0.000 0.457 647 E N -0.682 119.557 120.200 0.065 0.000 2.479 647 E HA 0.051 4.401 4.350 0.000 0.000 0.193 647 E C 1.016 177.665 176.600 0.082 0.000 1.049 647 E CA 0.515 56.945 56.400 0.050 0.000 0.870 647 E CB 0.797 30.505 29.700 0.013 0.000 0.944 647 E HN 0.423 nan 8.360 nan 0.000 0.492 648 G N 1.915 110.797 108.800 0.136 0.000 2.157 648 G HA2 -0.276 3.684 3.960 0.000 0.000 0.248 648 G HA3 -0.276 3.684 3.960 0.000 0.000 0.248 648 G C -0.097 174.818 174.900 0.026 0.000 0.979 648 G CA 0.081 45.250 45.100 0.115 0.000 0.650 648 G HN 0.359 nan 8.290 nan 0.000 0.529 649 N N 0.870 119.572 118.700 0.004 0.000 2.520 649 N HA 0.479 5.219 4.740 0.000 0.000 0.273 649 N C -0.153 175.340 175.510 -0.028 0.000 1.155 649 N CA 0.135 53.174 53.050 -0.018 0.000 0.967 649 N CB 0.763 39.232 38.487 -0.030 0.000 1.092 649 N HN 0.450 nan 8.380 nan 0.000 0.457 650 E N 1.119 121.327 120.200 0.014 0.000 2.199 650 E HA 0.385 4.735 4.350 0.000 0.000 0.269 650 E C -0.866 175.791 176.600 0.095 0.000 0.899 650 E CA -0.865 55.560 56.400 0.041 0.000 0.772 650 E CB 1.890 31.660 29.700 0.117 0.000 1.155 650 E HN 0.483 nan 8.360 nan 0.000 0.408 651 I N 1.344 121.907 120.570 -0.011 0.000 2.404 651 I HA 0.410 4.581 4.170 0.000 0.000 0.293 651 I C -0.920 175.150 176.117 -0.078 0.000 0.992 651 I CA -0.368 60.936 61.300 0.007 0.000 1.149 651 I CB 0.828 38.748 38.000 -0.133 0.000 1.315 651 I HN 0.447 nan 8.210 nan 0.000 0.446 652 I N 7.057 127.636 120.570 0.014 0.000 2.441 652 I HA 0.343 4.513 4.170 0.000 0.000 0.287 652 I C -0.571 175.403 176.117 -0.238 0.000 1.049 652 I CA -0.677 60.522 61.300 -0.168 0.000 1.381 652 I CB 1.294 39.186 38.000 -0.179 0.000 1.409 652 I HN 0.385 nan 8.210 nan 0.000 0.523 653 V N 5.913 125.528 119.914 -0.497 0.000 2.444 653 V HA 0.699 4.819 4.120 0.000 0.000 0.294 653 V C -0.034 175.807 176.094 -0.423 0.000 1.022 653 V CA -0.521 61.456 62.300 -0.537 0.000 0.850 653 V CB 1.515 32.621 31.823 -1.195 0.000 0.992 653 V HN 0.837 nan 8.190 nan 0.000 0.426 654 A N 3.484 126.215 122.820 -0.148 0.000 2.359 654 A HA 0.860 5.180 4.320 0.000 0.000 0.303 654 A C -0.356 177.200 177.584 -0.046 0.000 1.066 654 A CA -0.435 51.511 52.037 -0.153 0.000 0.730 654 A CB 1.656 20.505 19.000 -0.251 0.000 1.211 654 A HN 0.661 nan 8.150 nan 0.000 0.439 655 S N 1.332 117.029 115.700 -0.006 0.000 2.503 655 S HA 0.510 4.980 4.470 0.000 0.000 0.301 655 S C -0.356 174.051 174.600 -0.321 0.000 1.087 655 S CA -0.712 57.378 58.200 -0.183 0.000 1.042 655 S CB 1.224 64.346 63.200 -0.131 0.000 1.043 655 S HN 0.765 nan 8.310 nan 0.000 0.489 656 N N 1.951 120.385 118.700 -0.442 0.000 2.573 656 N HA 0.338 5.078 4.740 0.000 0.000 0.262 656 N C -1.088 174.246 175.510 -0.293 0.000 1.029 656 N CA -0.356 52.530 53.050 -0.273 0.000 0.882 656 N CB 0.400 38.777 38.487 -0.183 0.000 1.204 656 N HN 0.479 nan 8.380 nan 0.000 0.519 657 F N 1.558 121.519 119.950 0.018 0.000 2.639 657 F HA 0.130 4.657 4.527 -0.000 0.000 0.300 657 F C 1.330 177.134 175.800 0.007 0.000 1.109 657 F CA -0.270 57.747 58.000 0.029 0.000 1.335 657 F CB 0.535 39.597 39.000 0.104 0.000 1.014 657 F HN 0.311 nan 8.300 nan 0.000 0.537 658 T N -3.259 111.367 114.554 0.120 0.000 2.940 658 T HA 0.418 4.768 4.350 0.000 0.000 0.288 658 T C -2.466 172.268 174.700 0.056 0.000 1.045 658 T CA -2.387 59.753 62.100 0.067 0.000 1.018 658 T CB 2.200 71.091 68.868 0.038 0.000 1.151 658 T HN -0.270 nan 8.240 nan 0.000 0.529 659 P HA 0.278 nan 4.420 nan 0.000 0.258 659 P C -0.360 176.967 177.300 0.044 0.000 1.416 659 P CA -0.268 62.885 63.100 0.087 0.000 0.927 659 P CB -0.129 31.630 31.700 0.098 0.000 1.444 660 V N 2.534 122.462 119.914 0.023 0.000 2.368 660 V HA 0.231 4.351 4.120 0.000 0.000 0.266 660 V C -2.126 173.957 176.094 -0.018 0.000 1.045 660 V CA -2.040 60.264 62.300 0.006 0.000 0.899 660 V CB 0.569 32.398 31.823 0.011 0.000 1.006 660 V HN -0.005 nan 8.190 nan 0.000 0.470 661 P HA 0.180 nan 4.420 nan 0.000 0.266 661 P C -0.513 176.671 177.300 -0.193 0.000 1.195 661 P CA -0.074 62.944 63.100 -0.137 0.000 0.768 661 P CB 0.428 32.038 31.700 -0.149 0.000 0.838 662 R N 2.911 123.268 120.500 -0.238 0.000 2.360 662 R HA 0.413 4.753 4.340 0.000 0.000 0.318 662 R C 0.058 176.237 176.300 -0.202 0.000 0.950 662 R CA -0.439 55.590 56.100 -0.118 0.000 0.837 662 R CB 0.624 30.930 30.300 0.010 0.000 1.165 662 R HN 0.625 nan 8.270 nan 0.000 0.458 663 H N 1.164 120.313 119.070 0.131 0.000 2.567 663 H HA 0.183 4.739 4.556 0.000 0.000 0.345 663 H C -0.034 175.381 175.328 0.145 0.000 1.169 663 H CA -0.437 55.684 56.048 0.121 0.000 1.227 663 H CB 1.269 31.080 29.762 0.081 0.000 1.607 663 H HN 0.459 nan 8.280 nan 0.000 0.534 664 D N 0.671 121.231 120.400 0.267 0.000 2.692 664 D HA -0.292 4.348 4.640 0.000 0.000 0.233 664 D C -0.411 176.002 176.300 0.187 0.000 1.172 664 D CA 0.793 54.904 54.000 0.184 0.000 0.636 664 D CB -1.540 39.336 40.800 0.126 0.000 1.028 664 D HN 0.455 nan 8.370 nan 0.000 0.419 665 Y N 1.158 121.541 120.300 0.138 0.000 2.504 665 Y HA 0.193 4.743 4.550 0.000 0.000 0.351 665 Y C 0.828 176.867 175.900 0.232 0.000 0.988 665 Y CA -0.540 57.661 58.100 0.168 0.000 1.239 665 Y CB 0.431 38.985 38.460 0.157 0.000 1.128 665 Y HN -0.031 nan 8.280 nan 0.000 0.525 666 R N 7.210 127.711 120.500 0.002 0.000 2.312 666 R HA 0.480 4.820 4.340 0.000 0.000 0.311 666 R C -1.721 174.715 176.300 0.227 0.000 1.004 666 R CA -0.455 55.687 56.100 0.070 0.000 0.902 666 R CB 0.434 30.729 30.300 -0.008 0.000 1.073 666 R HN 0.647 nan 8.270 nan 0.000 0.457 667 F N 0.850 120.878 119.950 0.130 0.000 2.591 667 F HA 0.579 5.106 4.527 -0.000 0.000 0.309 667 F C -0.097 175.763 175.800 0.101 0.000 1.098 667 F CA -1.251 56.843 58.000 0.155 0.000 0.937 667 F CB 0.925 39.944 39.000 0.033 0.000 1.250 667 F HN 0.570 nan 8.300 nan 0.000 0.447 668 G N 2.603 111.566 108.800 0.271 0.000 2.491 668 G HA2 0.444 4.404 3.960 0.000 0.000 0.238 668 G HA3 0.444 4.404 3.960 0.000 0.000 0.238 668 G C -0.558 174.374 174.900 0.054 0.000 1.277 668 G CA -0.274 44.896 45.100 0.116 0.000 0.851 668 G HN 1.101 nan 8.290 nan 0.000 0.573 669 I N -1.679 118.880 120.570 -0.019 0.000 3.239 669 I HA 0.529 4.700 4.170 0.000 0.000 0.314 669 I C -0.033 176.105 176.117 0.035 0.000 1.126 669 I CA -1.428 59.840 61.300 -0.052 0.000 0.973 669 I CB 2.218 40.065 38.000 -0.255 0.000 1.252 669 I HN 0.304 nan 8.210 nan 0.000 0.463 670 N N 0.158 118.883 118.700 0.042 0.000 2.414 670 N HA 0.105 4.845 4.740 0.000 0.000 0.177 670 N C -0.449 175.134 175.510 0.123 0.000 1.062 670 N CA 0.524 53.626 53.050 0.087 0.000 0.890 670 N CB 0.371 38.895 38.487 0.061 0.000 1.070 670 N HN 0.608 nan 8.380 nan 0.000 0.454 671 Q N 1.703 121.604 119.800 0.169 0.000 2.454 671 Q HA 0.348 4.689 4.340 0.000 0.000 0.255 671 Q C -2.543 173.605 176.000 0.245 0.000 1.034 671 Q CA -1.818 54.106 55.803 0.202 0.000 0.736 671 Q CB 2.328 31.222 28.738 0.260 0.000 1.210 671 Q HN 0.100 nan 8.270 nan 0.000 0.500 672 P HA 0.185 nan 4.420 nan 0.000 0.268 672 P C 0.215 177.552 177.300 0.061 0.000 1.208 672 P CA 0.563 63.599 63.100 -0.107 0.000 0.777 672 P CB 1.213 32.497 31.700 -0.693 0.000 0.875 673 G N 1.231 110.114 108.800 0.139 0.000 2.334 673 G HA2 0.094 4.054 3.960 0.000 0.000 0.249 673 G HA3 0.094 4.054 3.960 0.000 0.000 0.249 673 G C -1.702 173.255 174.900 0.095 0.000 1.327 673 G CA -0.703 44.432 45.100 0.059 0.000 0.979 673 G HN 0.498 nan 8.290 nan 0.000 0.471 674 K N -0.169 120.148 120.400 -0.137 0.000 2.235 674 K HA 0.540 4.860 4.320 0.000 0.000 0.266 674 K C -1.595 174.813 176.600 -0.320 0.000 0.980 674 K CA -0.362 55.813 56.287 -0.186 0.000 0.849 674 K CB 2.326 34.675 32.500 -0.251 0.000 1.098 674 K HN 0.436 nan 8.250 nan 0.000 0.445 675 W N 2.387 123.621 121.300 -0.109 0.000 2.689 675 W HA 0.423 5.083 4.660 -0.001 0.000 0.340 675 W C 0.158 176.650 176.519 -0.045 0.000 1.060 675 W CA -0.637 56.675 57.345 -0.055 0.000 1.218 675 W CB 1.609 31.054 29.460 -0.026 0.000 1.410 675 W HN 0.565 nan 8.180 nan 0.000 0.528 676 R N 0.146 120.741 120.500 0.158 0.000 2.740 676 R HA 0.571 4.911 4.340 0.000 0.000 0.273 676 R C -1.067 175.310 176.300 0.127 0.000 0.998 676 R CA -1.159 55.005 56.100 0.106 0.000 0.900 676 R CB 1.631 31.950 30.300 0.032 0.000 1.223 676 R HN 0.390 nan 8.270 nan 0.000 0.466 677 E N 1.875 122.137 120.200 0.103 0.000 2.366 677 E HA 0.060 4.411 4.350 0.000 0.000 0.266 677 E C 0.463 177.109 176.600 0.076 0.000 1.015 677 E CA 0.062 56.520 56.400 0.096 0.000 0.906 677 E CB 0.743 30.480 29.700 0.062 0.000 0.979 677 E HN 0.663 nan 8.360 nan 0.000 0.443 678 I N 0.935 121.564 120.570 0.098 0.000 4.139 678 I HA 0.327 4.497 4.170 0.000 0.000 0.335 678 I C -0.105 176.031 176.117 0.031 0.000 1.327 678 I CA -0.162 61.189 61.300 0.085 0.000 1.112 678 I CB 0.536 38.610 38.000 0.123 0.000 1.058 678 I HN 0.255 nan 8.210 nan 0.000 0.396 679 L N 1.133 122.345 121.223 -0.019 0.000 2.545 679 L HA 0.532 4.872 4.340 0.000 0.000 0.258 679 L C -1.849 174.935 176.870 -0.145 0.000 0.942 679 L CA -0.278 54.449 54.840 -0.188 0.000 0.855 679 L CB 2.346 44.022 42.059 -0.640 0.000 1.374 679 L HN 0.250 nan 8.230 nan 0.000 0.411 680 N N 0.852 119.508 118.700 -0.074 0.000 2.655 680 N HA 0.144 4.884 4.740 0.000 0.000 0.277 680 N C 0.211 175.783 175.510 0.103 0.000 1.177 680 N CA 0.312 53.357 53.050 -0.007 0.000 0.882 680 N CB 1.401 39.892 38.487 0.006 0.000 1.481 680 N HN 0.754 nan 8.380 nan 0.000 0.547 681 T N -0.491 114.073 114.554 0.017 0.000 3.113 681 T HA -0.077 4.273 4.350 0.000 0.000 0.263 681 T C 0.927 175.718 174.700 0.152 0.000 1.143 681 T CA 1.060 63.183 62.100 0.039 0.000 1.090 681 T CB -0.077 68.736 68.868 -0.091 0.000 0.922 681 T HN 0.445 nan 8.240 nan 0.000 0.521 682 D N 1.329 121.802 120.400 0.121 0.000 2.339 682 D HA 0.164 4.804 4.640 0.000 0.000 0.217 682 D C 0.731 177.110 176.300 0.131 0.000 1.050 682 D CA -0.074 54.011 54.000 0.142 0.000 0.856 682 D CB -0.026 40.857 40.800 0.139 0.000 0.922 682 D HN 0.424 nan 8.370 nan 0.000 0.518 683 S N 0.002 115.745 115.700 0.072 0.000 2.563 683 S HA -0.071 4.400 4.470 0.000 0.000 0.284 683 S C 1.680 176.201 174.600 -0.131 0.000 1.331 683 S CA -0.317 57.805 58.200 -0.131 0.000 1.047 683 S CB 0.401 63.367 63.200 -0.390 0.000 0.859 683 S HN 0.317 nan 8.310 nan 0.000 0.514 684 M N 2.586 122.094 119.600 -0.154 0.000 2.549 684 M HA 0.009 4.489 4.480 0.000 0.000 0.260 684 M C 0.980 177.199 176.300 -0.134 0.000 1.076 684 M CA 1.207 56.459 55.300 -0.080 0.000 1.090 684 M CB -0.678 31.908 32.600 -0.023 0.000 1.418 684 M HN 0.679 nan 8.290 nan 0.000 0.486 685 H N 0.432 119.253 119.070 -0.415 0.000 2.489 685 H HA -0.059 4.498 4.556 0.000 0.000 0.293 685 H C 0.346 175.405 175.328 -0.448 0.000 1.066 685 H CA 1.164 56.913 56.048 -0.499 0.000 1.305 685 H CB -0.540 28.862 29.762 -0.600 0.000 1.386 685 H HN 0.642 nan 8.280 nan 0.000 0.551 686 Y N -1.605 118.723 120.300 0.045 0.000 2.584 686 Y HA 0.226 4.777 4.550 0.001 0.000 0.254 686 Y C 0.208 176.212 175.900 0.173 0.000 1.177 686 Y CA -0.648 57.503 58.100 0.086 0.000 1.216 686 Y CB -0.547 37.958 38.460 0.074 0.000 1.172 686 Y HN 0.159 nan 8.280 nan 0.000 0.529 687 H N -1.839 117.358 119.070 0.211 0.000 3.022 687 H HA -0.120 4.436 4.556 0.000 0.000 0.258 687 H C 1.344 176.859 175.328 0.311 0.000 1.212 687 H CA 0.266 56.459 56.048 0.242 0.000 1.126 687 H CB -1.107 28.814 29.762 0.264 0.000 1.267 687 H HN 0.578 nan 8.280 nan 0.000 0.345 688 G N -0.284 108.703 108.800 0.312 0.000 2.588 688 G HA2 0.312 4.272 3.960 0.000 0.000 0.278 688 G HA3 0.312 4.272 3.960 0.000 0.000 0.278 688 G C 1.067 176.247 174.900 0.465 0.000 1.307 688 G CA -0.054 45.261 45.100 0.359 0.000 1.016 688 G HN 0.489 nan 8.290 nan 0.000 0.503 689 S N -1.463 114.549 115.700 0.519 0.000 2.593 689 S HA 0.021 4.491 4.470 0.000 0.000 0.217 689 S C 1.056 175.752 174.600 0.161 0.000 0.966 689 S CA 0.675 59.059 58.200 0.307 0.000 0.914 689 S CB -0.465 62.854 63.200 0.197 0.000 0.776 689 S HN 0.834 nan 8.310 nan 0.000 0.523 690 N N 0.429 119.211 118.700 0.136 0.000 2.741 690 N HA -0.177 4.563 4.740 0.000 0.000 0.250 690 N C 0.024 175.566 175.510 0.053 0.000 1.115 690 N CA 0.343 53.425 53.050 0.053 0.000 0.724 690 N CB -1.364 37.134 38.487 0.018 0.000 1.090 690 N HN 0.735 nan 8.380 nan 0.000 0.558 691 A N 0.136 123.005 122.820 0.082 0.000 2.340 691 A HA 0.730 5.051 4.320 0.000 0.000 0.268 691 A C 0.934 178.555 177.584 0.061 0.000 1.100 691 A CA 0.794 52.879 52.037 0.081 0.000 0.803 691 A CB 1.262 20.317 19.000 0.090 0.000 1.043 691 A HN 0.564 nan 8.150 nan 0.000 0.488 692 G N 0.141 108.983 108.800 0.069 0.000 2.342 692 G HA2 0.332 4.292 3.960 0.000 0.000 0.297 692 G HA3 0.332 4.292 3.960 0.000 0.000 0.297 692 G C -0.200 174.746 174.900 0.076 0.000 1.313 692 G CA -0.253 44.882 45.100 0.058 0.000 0.830 692 G HN 0.508 nan 8.290 nan 0.000 0.506 693 N N -0.356 118.387 118.700 0.072 0.000 2.416 693 N HA 0.312 5.052 4.740 0.000 0.000 0.177 693 N C 1.429 176.976 175.510 0.063 0.000 1.036 693 N CA 1.081 54.180 53.050 0.083 0.000 0.901 693 N CB 0.292 38.835 38.487 0.093 0.000 0.976 693 N HN 1.575 nan 8.380 nan 0.000 0.444 694 G N 0.174 109.000 108.800 0.043 0.000 2.367 694 G HA2 0.119 4.079 3.960 0.000 0.000 0.295 694 G HA3 0.119 4.079 3.960 0.000 0.000 0.295 694 G C 0.326 175.244 174.900 0.031 0.000 1.019 694 G CA 0.416 45.532 45.100 0.028 0.000 1.224 694 G HN 0.713 nan 8.290 nan 0.000 0.510 695 G N -1.544 107.274 108.800 0.030 0.000 2.357 695 G HA2 0.458 4.418 3.960 0.000 0.000 0.643 695 G HA3 0.458 4.418 3.960 0.000 0.000 0.643 695 G C -0.142 174.774 174.900 0.026 0.000 1.358 695 G CA 0.051 45.167 45.100 0.027 0.000 0.986 695 G HN 1.288 nan 8.290 nan 0.000 0.620 696 T N -0.050 114.503 114.554 -0.002 0.000 2.940 696 T HA 0.436 4.786 4.350 0.000 0.000 0.309 696 T C 0.521 175.192 174.700 -0.047 0.000 1.056 696 T CA 0.263 62.335 62.100 -0.047 0.000 1.137 696 T CB 1.125 69.916 68.868 -0.127 0.000 0.976 696 T HN 1.014 nan 8.240 nan 0.000 0.547 697 V N 3.589 123.489 119.914 -0.023 0.000 2.604 697 V HA 0.327 4.447 4.120 0.000 0.000 0.305 697 V C -0.480 175.603 176.094 -0.018 0.000 1.043 697 V CA -0.984 61.334 62.300 0.029 0.000 0.888 697 V CB 1.608 33.490 31.823 0.099 0.000 0.995 697 V HN 0.875 nan 8.190 nan 0.000 0.429 698 H N 1.178 120.308 119.070 0.100 0.000 2.487 698 H HA 0.511 5.067 4.556 0.000 0.000 0.333 698 H C 0.611 175.992 175.328 0.090 0.000 1.114 698 H CA -0.155 55.953 56.048 0.101 0.000 1.310 698 H CB 1.054 30.852 29.762 0.061 0.000 1.462 698 H HN 0.763 nan 8.280 nan 0.000 0.516 699 S N 2.200 118.030 115.700 0.215 0.000 2.585 699 S HA 0.176 4.646 4.470 0.000 0.000 0.273 699 S C -0.333 174.340 174.600 0.122 0.000 1.339 699 S CA -0.958 57.311 58.200 0.115 0.000 1.028 699 S CB 0.902 64.158 63.200 0.093 0.000 0.906 699 S HN 0.578 nan 8.310 nan 0.000 0.528 700 D N 0.449 120.904 120.400 0.093 0.000 2.228 700 D HA 0.219 4.859 4.640 0.000 0.000 0.247 700 D C -0.596 175.800 176.300 0.161 0.000 0.995 700 D CA -0.517 53.544 54.000 0.102 0.000 0.903 700 D CB 1.189 42.019 40.800 0.050 0.000 1.205 700 D HN 0.794 nan 8.370 nan 0.000 0.459 701 E N 1.237 121.528 120.200 0.152 0.000 1.979 701 E HA 0.251 4.601 4.350 0.000 0.000 0.285 701 E C -0.783 175.802 176.600 -0.025 0.000 1.188 701 E CA -0.142 56.297 56.400 0.064 0.000 1.214 701 E CB -0.236 29.491 29.700 0.045 0.000 1.210 701 E HN 0.310 nan 8.360 nan 0.000 0.477 702 I N 2.786 123.341 120.570 -0.025 0.000 2.439 702 I HA 0.294 4.464 4.170 0.000 0.000 0.283 702 I C 0.135 176.225 176.117 -0.045 0.000 1.023 702 I CA -0.854 60.425 61.300 -0.034 0.000 1.100 702 I CB 1.654 39.645 38.000 -0.017 0.000 1.238 702 I HN 0.348 nan 8.210 nan 0.000 0.445 703 A N 4.572 127.357 122.820 -0.058 0.000 2.587 703 A HA 0.328 4.649 4.320 0.000 0.000 0.235 703 A C 0.217 177.787 177.584 -0.023 0.000 1.044 703 A CA 0.699 52.709 52.037 -0.045 0.000 0.754 703 A CB 0.256 19.230 19.000 -0.044 0.000 0.968 703 A HN 0.647 nan 8.150 nan 0.000 0.509 704 S N 1.034 116.742 115.700 0.015 0.000 2.543 704 S HA 0.506 4.976 4.470 0.000 0.000 0.273 704 S C -0.178 174.507 174.600 0.141 0.000 1.152 704 S CA -0.491 57.730 58.200 0.036 0.000 0.910 704 S CB 0.375 63.641 63.200 0.110 0.000 1.105 704 S HN 1.027 nan 8.310 nan 0.000 0.465 705 H N 2.341 121.434 119.070 0.038 0.000 2.791 705 H HA -0.215 4.341 4.556 0.000 0.000 0.302 705 H C 1.209 176.570 175.328 0.056 0.000 1.198 705 H CA 1.428 57.513 56.048 0.061 0.000 1.145 705 H CB -1.496 28.329 29.762 0.105 0.000 1.385 705 H HN 1.643 nan 8.280 nan 0.000 0.409 706 G N -0.199 108.659 108.800 0.096 0.000 2.179 706 G HA2 -0.332 3.629 3.960 0.000 0.000 0.260 706 G HA3 -0.332 3.629 3.960 0.000 0.000 0.260 706 G C 0.348 175.290 174.900 0.070 0.000 0.977 706 G CA 0.631 45.776 45.100 0.075 0.000 0.641 706 G HN 0.569 nan 8.290 nan 0.000 0.533 707 R N -0.551 119.997 120.500 0.080 0.000 2.778 707 R HA 0.585 4.925 4.340 0.000 0.000 0.277 707 R C 1.098 177.405 176.300 0.012 0.000 0.977 707 R CA -0.358 55.779 56.100 0.062 0.000 0.950 707 R CB 1.117 31.472 30.300 0.091 0.000 1.165 707 R HN 0.188 nan 8.270 nan 0.000 0.474 708 Q N 0.671 120.454 119.800 -0.029 0.000 2.123 708 Q HA -0.055 4.285 4.340 0.000 0.000 0.199 708 Q C -0.262 175.557 176.000 -0.303 0.000 0.966 708 Q CA 1.427 57.127 55.803 -0.172 0.000 0.845 708 Q CB 0.319 28.924 28.738 -0.220 0.000 0.907 708 Q HN 0.535 nan 8.270 nan 0.000 0.439 709 H N -0.945 118.131 119.070 0.010 0.000 2.651 709 H HA 0.461 5.017 4.556 0.000 0.000 0.353 709 H C -0.719 174.578 175.328 -0.051 0.000 1.178 709 H CA -0.177 55.867 56.048 -0.008 0.000 1.224 709 H CB 1.967 31.735 29.762 0.010 0.000 1.702 709 H HN 0.152 nan 8.280 nan 0.000 0.550 710 S N 0.774 116.501 115.700 0.045 0.000 2.625 710 S HA 0.588 5.059 4.470 0.000 0.000 0.271 710 S C -1.647 172.807 174.600 -0.243 0.000 1.161 710 S CA -1.047 57.074 58.200 -0.132 0.000 0.820 710 S CB 1.307 64.457 63.200 -0.084 0.000 1.137 710 S HN 0.439 nan 8.310 nan 0.000 0.470 711 L N 1.369 122.271 121.223 -0.536 0.000 2.362 711 L HA 0.733 5.073 4.340 0.000 0.000 0.271 711 L C -0.542 176.106 176.870 -0.369 0.000 1.002 711 L CA -0.578 53.955 54.840 -0.512 0.000 0.818 711 L CB 2.247 43.800 42.059 -0.842 0.000 1.298 711 L HN 0.864 nan 8.230 nan 0.000 0.420 712 S N 4.006 119.641 115.700 -0.109 0.000 2.640 712 S HA 0.751 5.221 4.470 0.000 0.000 0.320 712 S C -0.806 173.861 174.600 0.111 0.000 1.097 712 S CA -0.592 57.629 58.200 0.035 0.000 1.092 712 S CB 0.439 63.666 63.200 0.044 0.000 0.988 712 S HN 0.407 nan 8.310 nan 0.000 0.470 713 L N 2.242 123.595 121.223 0.216 0.000 2.251 713 L HA 0.783 5.124 4.340 0.000 0.000 0.244 713 L C -0.179 176.826 176.870 0.224 0.000 1.095 713 L CA -0.819 54.145 54.840 0.207 0.000 0.910 713 L CB 0.480 42.653 42.059 0.191 0.000 1.516 713 L HN 0.284 nan 8.230 nan 0.000 0.429 714 T N 2.065 116.725 114.554 0.178 0.000 2.817 714 T HA 0.639 4.989 4.350 0.000 0.000 0.293 714 T C -0.203 174.521 174.700 0.039 0.000 0.964 714 T CA -0.004 62.168 62.100 0.120 0.000 1.085 714 T CB 0.130 69.100 68.868 0.171 0.000 0.921 714 T HN 0.436 nan 8.240 nan 0.000 0.502 715 L N 6.452 127.647 121.223 -0.047 0.000 2.277 715 L HA 0.369 4.709 4.340 0.000 0.000 0.284 715 L C -2.239 174.575 176.870 -0.095 0.000 1.028 715 L CA -2.387 52.396 54.840 -0.094 0.000 0.835 715 L CB 0.904 42.845 42.059 -0.196 0.000 1.215 715 L HN 0.336 nan 8.230 nan 0.000 0.425 716 P HA 0.099 nan 4.420 nan 0.000 0.270 716 P C -2.492 174.807 177.300 -0.001 0.000 1.223 716 P CA -1.214 61.882 63.100 -0.007 0.000 0.785 716 P CB -0.336 31.388 31.700 0.040 0.000 0.923 717 P HA 0.071 nan 4.420 nan 0.000 0.271 717 P C 0.087 177.462 177.300 0.125 0.000 1.216 717 P CA 0.114 63.272 63.100 0.096 0.000 0.771 717 P CB 0.247 32.044 31.700 0.162 0.000 0.864 718 L N -0.151 121.101 121.223 0.049 0.000 3.823 718 L HA -0.225 4.115 4.340 0.000 0.000 0.525 718 L C 0.188 177.018 176.870 -0.067 0.000 1.247 718 L CA 0.583 55.421 54.840 -0.003 0.000 0.776 718 L CB -1.828 40.257 42.059 0.043 0.000 1.443 718 L HN 0.650 nan 8.230 nan 0.000 0.831 719 A N -0.073 122.671 122.820 -0.127 0.000 2.606 719 A HA 0.873 5.194 4.320 0.000 0.000 0.293 719 A C -0.181 177.317 177.584 -0.144 0.000 1.082 719 A CA 0.152 52.129 52.037 -0.101 0.000 0.685 719 A CB 2.002 20.987 19.000 -0.026 0.000 1.284 719 A HN 0.286 nan 8.150 nan 0.000 0.408 720 T N -0.220 114.295 114.554 -0.065 0.000 2.863 720 T HA 0.721 5.071 4.350 0.000 0.000 0.285 720 T C -0.365 174.343 174.700 0.013 0.000 1.009 720 T CA -0.365 61.736 62.100 0.001 0.000 0.989 720 T CB 0.572 69.533 68.868 0.156 0.000 1.004 720 T HN 1.557 nan 8.240 nan 0.000 0.455 721 I N 0.041 120.652 120.570 0.068 0.000 2.740 721 I HA 0.863 5.033 4.170 0.000 0.000 0.303 721 I C -1.587 174.709 176.117 0.299 0.000 1.044 721 I CA -1.227 60.120 61.300 0.078 0.000 1.064 721 I CB 1.911 39.944 38.000 0.054 0.000 1.249 721 I HN 0.548 nan 8.210 nan 0.000 0.433 722 W N 5.210 126.502 121.300 -0.013 0.000 2.736 722 W HA 0.707 5.369 4.660 0.002 0.000 0.335 722 W C -1.101 175.425 176.519 0.011 0.000 1.059 722 W CA -1.113 56.213 57.345 -0.030 0.000 1.226 722 W CB 1.575 31.018 29.460 -0.028 0.000 1.416 722 W HN 0.269 nan 8.180 nan 0.000 0.505 723 L N 3.285 124.666 121.223 0.264 0.000 2.381 723 L HA 0.669 5.009 4.340 0.000 0.000 0.268 723 L C -0.345 176.723 176.870 0.331 0.000 0.997 723 L CA -1.119 53.895 54.840 0.289 0.000 0.818 723 L CB 1.583 43.852 42.059 0.349 0.000 1.310 723 L HN 0.141 nan 8.230 nan 0.000 0.416 724 V N 3.146 123.181 119.914 0.201 0.000 3.019 724 V HA 0.560 4.680 4.120 0.000 0.000 0.317 724 V C -0.380 175.527 176.094 -0.313 0.000 1.094 724 V CA -0.760 61.538 62.300 -0.003 0.000 1.000 724 V CB 2.804 34.571 31.823 -0.094 0.000 1.060 724 V HN 0.864 nan 8.190 nan 0.000 0.443 725 R N 2.663 122.749 120.500 -0.690 0.000 2.294 725 R HA 0.421 4.761 4.340 0.000 0.000 0.319 725 R C -0.462 175.514 176.300 -0.540 0.000 0.984 725 R CA -0.446 54.986 56.100 -1.114 0.000 0.861 725 R CB 1.021 30.433 30.300 -1.480 0.000 1.104 725 R HN 0.803 nan 8.270 nan 0.000 0.451 726 E N 2.314 122.244 120.200 -0.449 0.000 2.316 726 E HA 0.162 4.512 4.350 0.000 0.000 0.275 726 E C -0.274 176.199 176.600 -0.211 0.000 1.029 726 E CA -0.346 55.906 56.400 -0.248 0.000 0.871 726 E CB 1.192 30.778 29.700 -0.189 0.000 1.022 726 E HN 0.630 nan 8.360 nan 0.000 0.418 727 A N 4.172 126.908 122.820 -0.139 0.000 2.531 727 A HA -0.010 4.311 4.320 0.000 0.000 0.236 727 A C 0.325 177.857 177.584 -0.086 0.000 1.062 727 A CA -0.050 51.925 52.037 -0.103 0.000 0.760 727 A CB 0.262 19.221 19.000 -0.069 0.000 0.995 727 A HN 0.537 nan 8.150 nan 0.000 0.501 728 E N 0.000 120.157 120.200 -0.072 0.000 2.725 728 E HA 0.000 4.350 4.350 0.000 0.000 0.291 728 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 728 E CB 0.000 29.675 29.700 -0.041 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440