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 2v3f_1_A DATA FIRST_RESID -1 DATA SEQUENCE EFARPcIPKS FGYSSVVcVc NATYcDSFDP XXXPALGTFS RYESTRSGRR DATA SEQUENCE MELSMGPIQA NHTGTGLLLT LQPEQKFQKV KGFGGAMTDA AALNILALSP DATA SEQUENCE PAQNLLLKSY FSEEGIGYNI IRVPMASCDF SIRTYTYADT PDDFQLHNFS DATA SEQUENCE LPEEDTKLKI PLIHRALQLA QRPVSLLASP WTSPTWLKTN GAVNGKGSLK DATA SEQUENCE GQPGDIYHQT WARYFVKFLD AYAEHKLQFW AVTAENEPSA GLLSGYPFQC DATA SEQUENCE LGFTPEHQRD FIARDLGPTL ANSTHHNVRL LMLDDQRLLL PHWAKVVLTD DATA SEQUENCE PEAAKYVHGI AVHWYLDFLA PAKATLGETH RLFPNTMLFA SEACVGSKFW DATA SEQUENCE EQSVRLGSWD RGMQYSHSII TNLLYHVVGW TDWNLALNPE GGPNWVRNFV DATA SEQUENCE DSPIIVDITK DTFYKQPMFY HLGHFSKFIP EGSQRVGLVA SQKNDLDAVA DATA SEQUENCE LMHPDGSAVV VVLNRSSKDV PLTIKDPAVG FLETISPGYS IHTYLWHRQL 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 -1 E HA 0.000 nan 4.350 nan 0.000 0.291 -1 E C 0.000 176.723 176.600 0.205 0.000 1.382 -1 E CA 0.000 56.506 56.400 0.177 0.000 0.976 -1 E CB 0.000 29.787 29.700 0.144 0.000 0.812 0 F N 1.876 121.845 119.950 0.031 0.000 2.623 0 F HA 0.178 4.747 4.527 0.070 0.000 0.383 0 F C 1.048 176.862 175.800 0.023 0.000 1.077 0 F CA 0.596 58.614 58.000 0.030 0.000 1.268 0 F CB 0.165 39.177 39.000 0.020 0.000 1.053 0 F HN 0.432 nan 8.300 nan 0.000 0.571 1 A N 5.890 128.791 122.820 0.134 0.000 2.462 1 A HA 0.516 4.877 4.320 0.069 0.000 0.243 1 A C 0.112 177.749 177.584 0.089 0.000 1.076 1 A CA -0.440 51.649 52.037 0.086 0.000 0.773 1 A CB 0.195 19.235 19.000 0.068 0.000 1.010 1 A HN 0.805 nan 8.150 nan 0.000 0.493 2 R N 2.834 123.335 120.500 0.002 0.000 2.599 2 R HA 0.543 4.924 4.340 0.069 0.000 0.295 2 R C -2.794 173.516 176.300 0.017 0.000 0.963 2 R CA -1.789 54.322 56.100 0.018 0.000 0.883 2 R CB 1.695 31.905 30.300 -0.151 0.000 1.171 2 R HN 0.543 nan 8.270 nan 0.000 0.450 3 P HA 0.007 nan 4.420 nan 0.000 0.274 3 P C -0.115 177.258 177.300 0.122 0.000 1.246 3 P CA -0.613 62.531 63.100 0.073 0.000 0.795 3 P CB 0.730 32.473 31.700 0.071 0.000 1.006 4 c N 3.221 121.850 118.600 0.048 0.000 2.596 4 c HA 0.085 4.697 4.570 0.069 0.000 0.414 4 c C 0.668 174.794 174.090 0.060 0.000 1.396 4 c CA -0.393 55.967 56.329 0.052 0.000 1.698 4 c CB -1.917 40.578 42.510 -0.026 0.000 2.572 4 c HN 0.255 nan 8.230 nan 0.000 0.604 5 I N 9.455 130.068 120.570 0.071 0.000 2.281 5 I HA 0.278 4.490 4.170 0.069 0.000 0.293 5 I C -1.678 174.448 176.117 0.016 0.000 1.085 5 I CA -2.703 58.594 61.300 -0.006 0.000 1.257 5 I CB 0.271 38.228 38.000 -0.071 0.000 1.430 5 I HN 0.558 nan 8.210 nan 0.000 0.489 6 P HA 0.303 nan 4.420 nan 0.000 0.280 6 P C -0.652 176.646 177.300 -0.003 0.000 1.244 6 P CA -0.544 62.564 63.100 0.013 0.000 0.784 6 P CB 1.585 33.279 31.700 -0.009 0.000 0.913 7 K N 1.423 121.834 120.400 0.019 0.000 2.482 7 K HA 0.456 4.817 4.320 0.069 0.000 0.251 7 K C -0.953 175.594 176.600 -0.089 0.000 0.936 7 K CA -0.598 55.641 56.287 -0.080 0.000 0.791 7 K CB 1.661 34.102 32.500 -0.099 0.000 1.213 7 K HN 0.327 nan 8.250 nan 0.000 0.428 8 S N 3.222 118.802 115.700 -0.200 0.000 2.508 8 S HA 0.473 4.984 4.470 0.069 0.000 0.284 8 S C -0.446 173.950 174.600 -0.340 0.000 1.192 8 S CA -0.557 57.565 58.200 -0.130 0.000 1.070 8 S CB 0.326 63.469 63.200 -0.094 0.000 1.004 8 S HN 0.567 nan 8.310 nan 0.000 0.493 9 F N 2.516 122.441 119.950 -0.041 0.000 2.698 9 F HA 0.385 4.953 4.527 0.069 0.000 0.304 9 F C 1.668 177.325 175.800 -0.240 0.000 1.108 9 F CA 0.133 58.089 58.000 -0.075 0.000 1.263 9 F CB 0.724 39.735 39.000 0.018 0.000 1.013 9 F HN 0.902 nan 8.300 nan 0.000 0.532 10 G N -0.686 108.038 108.800 -0.127 0.000 2.157 10 G HA2 -0.305 3.696 3.960 0.069 0.000 0.239 10 G HA3 -0.305 3.696 3.960 0.069 0.000 0.239 10 G C 0.023 174.668 174.900 -0.426 0.000 0.982 10 G CA -0.220 44.705 45.100 -0.291 0.000 0.650 10 G HN 0.365 nan 8.290 nan 0.000 0.527 11 Y N 0.414 120.767 120.300 0.088 0.000 2.645 11 Y HA 0.495 5.086 4.550 0.069 0.000 0.341 11 Y C 2.184 178.127 175.900 0.073 0.000 1.234 11 Y CA 0.103 58.250 58.100 0.078 0.000 1.352 11 Y CB 0.425 38.938 38.460 0.089 0.000 1.556 11 Y HN 0.201 nan 8.280 nan 0.000 0.607 12 S N -1.498 114.366 115.700 0.273 0.000 2.489 12 S HA 0.096 4.608 4.470 0.069 0.000 0.228 12 S C 0.592 175.272 174.600 0.134 0.000 0.995 12 S CA 0.620 58.915 58.200 0.159 0.000 0.934 12 S CB -0.025 63.263 63.200 0.146 0.000 0.771 12 S HN 0.433 nan 8.310 nan 0.000 0.522 13 S N -0.315 115.508 115.700 0.205 0.000 2.819 13 S HA 0.680 5.191 4.470 0.069 0.000 0.299 13 S C -0.872 173.841 174.600 0.188 0.000 1.192 13 S CA -0.272 58.027 58.200 0.165 0.000 0.847 13 S CB 1.093 64.447 63.200 0.257 0.000 1.224 13 S HN 0.684 nan 8.310 nan 0.000 0.537 14 V N 1.015 121.025 119.914 0.160 0.000 2.837 14 V HA 0.909 5.070 4.120 0.069 0.000 0.310 14 V C 0.316 176.541 176.094 0.219 0.000 1.059 14 V CA -0.493 61.901 62.300 0.156 0.000 1.004 14 V CB 0.902 32.772 31.823 0.078 0.000 1.045 14 V HN 0.869 nan 8.190 nan 0.000 0.465 15 V N -0.273 119.781 119.914 0.234 0.000 2.973 15 V HA 0.649 4.810 4.120 0.069 0.000 0.314 15 V C 0.118 176.345 176.094 0.222 0.000 1.066 15 V CA -0.555 61.900 62.300 0.259 0.000 1.021 15 V CB 1.158 33.145 31.823 0.273 0.000 1.076 15 V HN 1.080 nan 8.190 nan 0.000 0.462 16 c N 2.559 121.301 118.600 0.236 0.000 2.295 16 c HA 0.676 5.287 4.570 0.069 0.000 0.331 16 c C 0.268 174.434 174.090 0.127 0.000 1.280 16 c CA -0.636 55.788 56.329 0.160 0.000 1.746 16 c CB 0.155 42.764 42.510 0.165 0.000 2.328 16 c HN 0.755 nan 8.230 nan 0.000 0.521 17 V N 3.079 123.054 119.914 0.101 0.000 2.432 17 V HA 0.392 4.553 4.120 0.069 0.000 0.275 17 V C 0.215 176.215 176.094 -0.156 0.000 1.043 17 V CA -0.125 62.202 62.300 0.044 0.000 0.925 17 V CB 0.682 32.586 31.823 0.136 0.000 0.985 17 V HN 1.066 nan 8.190 nan 0.000 0.466 18 c N 5.186 123.491 118.600 -0.492 0.000 2.707 18 c HA 0.861 5.472 4.570 0.069 0.000 0.313 18 c C 0.129 173.858 174.090 -0.601 0.000 1.209 18 c CA -0.633 55.284 56.329 -0.687 0.000 1.635 18 c CB 1.620 43.193 42.510 -1.563 0.000 2.206 18 c HN 1.111 nan 8.230 nan 0.000 0.485 19 N N 0.102 118.634 118.700 -0.279 0.000 3.439 19 N HA 0.500 5.282 4.740 0.069 0.000 0.313 19 N C 0.230 175.756 175.510 0.026 0.000 1.598 19 N CA -0.097 52.896 53.050 -0.095 0.000 0.830 19 N CB 0.198 38.648 38.487 -0.061 0.000 1.849 19 N HN 0.496 nan 8.380 nan 0.000 0.598 20 A N -1.047 121.800 122.820 0.045 0.000 2.019 20 A HA -0.024 4.337 4.320 0.069 0.000 0.219 20 A C 1.526 179.142 177.584 0.054 0.000 1.164 20 A CA 2.565 54.638 52.037 0.060 0.000 0.644 20 A CB -1.261 17.764 19.000 0.043 0.000 0.805 20 A HN 0.913 nan 8.150 nan 0.000 0.449 21 T N -6.370 108.218 114.554 0.057 0.000 3.003 21 T HA 0.366 4.758 4.350 0.069 0.000 0.261 21 T C -0.128 174.638 174.700 0.109 0.000 1.003 21 T CA -0.116 62.023 62.100 0.065 0.000 0.917 21 T CB -0.101 68.803 68.868 0.059 0.000 1.084 21 T HN 0.282 nan 8.240 nan 0.000 0.522 22 Y N 0.172 120.445 120.300 -0.045 0.000 2.441 22 Y HA 0.590 5.182 4.550 0.069 0.000 0.334 22 Y C -1.463 174.371 175.900 -0.109 0.000 1.061 22 Y CA -1.463 56.599 58.100 -0.063 0.000 1.032 22 Y CB 1.836 40.254 38.460 -0.070 0.000 1.266 22 Y HN 0.316 nan 8.280 nan 0.000 0.441 23 c N 6.507 124.780 118.600 -0.544 0.000 3.082 23 c HA 0.402 5.013 4.570 0.069 0.000 0.324 23 c C -1.305 172.476 174.090 -0.515 0.000 1.210 23 c CA -0.794 55.310 56.329 -0.375 0.000 1.366 23 c CB 0.889 43.294 42.510 -0.176 0.000 1.756 23 c HN 0.935 nan 8.230 nan 0.000 0.485 24 D N 2.814 123.058 120.400 -0.261 0.000 2.399 24 D HA 0.440 5.121 4.640 0.069 0.000 0.241 24 D C -0.219 175.957 176.300 -0.206 0.000 1.133 24 D CA 0.325 54.207 54.000 -0.197 0.000 0.890 24 D CB 1.181 41.950 40.800 -0.052 0.000 1.201 24 D HN 0.844 nan 8.370 nan 0.000 0.432 25 S N -0.402 115.157 115.700 -0.235 0.000 2.615 25 S HA 0.604 5.116 4.470 0.069 0.000 0.269 25 S C -1.123 173.318 174.600 -0.265 0.000 1.161 25 S CA -1.079 57.005 58.200 -0.195 0.000 0.817 25 S CB 0.691 63.849 63.200 -0.070 0.000 1.131 25 S HN 0.365 nan 8.310 nan 0.000 0.467 26 F N 1.310 121.304 119.950 0.072 0.000 2.432 26 F HA 0.453 5.022 4.527 0.069 0.000 0.329 26 F C 0.850 176.694 175.800 0.073 0.000 1.076 26 F CA -0.614 57.441 58.000 0.092 0.000 1.018 26 F CB 0.683 39.741 39.000 0.097 0.000 1.201 26 F HN 0.521 nan 8.300 nan 0.000 0.489 27 D N 2.841 123.403 120.400 0.269 0.000 2.443 27 D HA 0.023 4.704 4.640 0.069 0.000 0.234 27 D C -1.766 174.640 176.300 0.176 0.000 1.172 27 D CA -0.300 53.801 54.000 0.167 0.000 0.878 27 D CB 0.100 40.962 40.800 0.103 0.000 1.204 27 D HN 0.199 nan 8.370 nan 0.000 0.453 33 A N 1.137 123.977 122.820 0.033 0.000 2.614 33 A HA 0.198 4.559 4.320 0.069 0.000 0.231 33 A C 0.429 178.045 177.584 0.054 0.000 1.076 33 A CA 0.083 52.132 52.037 0.019 0.000 0.767 33 A CB -0.194 18.806 19.000 0.001 0.000 1.012 33 A HN 0.570 nan 8.150 nan 0.000 0.512 34 L N 0.985 122.234 121.223 0.044 0.000 2.453 34 L HA 0.381 4.762 4.340 0.069 0.000 0.272 34 L C 1.558 178.471 176.870 0.071 0.000 1.182 34 L CA 1.487 56.371 54.840 0.073 0.000 0.858 34 L CB 0.470 42.562 42.059 0.055 0.000 1.120 34 L HN 1.326 nan 8.230 nan 0.000 0.474 35 G N 1.270 110.129 108.800 0.097 0.000 2.162 35 G HA2 -0.277 3.724 3.960 0.069 0.000 0.260 35 G HA3 -0.277 3.724 3.960 0.069 0.000 0.260 35 G C 0.205 175.149 174.900 0.074 0.000 0.976 35 G CA 0.409 45.557 45.100 0.079 0.000 0.655 35 G HN 0.832 nan 8.290 nan 0.000 0.533 36 T N -1.457 113.150 114.554 0.087 0.000 2.924 36 T HA 0.803 5.195 4.350 0.069 0.000 0.291 36 T C -0.215 174.579 174.700 0.156 0.000 1.045 36 T CA -0.442 61.680 62.100 0.036 0.000 1.015 36 T CB 2.391 71.226 68.868 -0.055 0.000 1.103 36 T HN 1.392 nan 8.240 nan 0.000 0.496 37 F N -0.411 119.576 119.950 0.063 0.000 2.556 37 F HA 0.866 5.436 4.527 0.073 0.000 0.327 37 F C -0.392 175.461 175.800 0.089 0.000 1.059 37 F CA -1.146 56.936 58.000 0.136 0.000 0.953 37 F CB 1.396 40.460 39.000 0.108 0.000 1.227 37 F HN 0.555 nan 8.300 nan 0.000 0.478 38 S N 1.629 117.487 115.700 0.262 0.000 2.525 38 S HA 0.563 5.075 4.470 0.069 0.000 0.290 38 S C -0.828 173.848 174.600 0.128 0.000 1.152 38 S CA -0.850 57.370 58.200 0.034 0.000 1.072 38 S CB 1.277 64.474 63.200 -0.004 0.000 1.027 38 S HN 0.744 nan 8.310 nan 0.000 0.500 39 R N 2.190 122.601 120.500 -0.148 0.000 2.513 39 R HA 0.399 4.781 4.340 0.069 0.000 0.301 39 R C -1.971 174.029 176.300 -0.499 0.000 0.968 39 R CA -0.462 55.460 56.100 -0.297 0.000 0.872 39 R CB 0.796 30.983 30.300 -0.189 0.000 1.177 39 R HN 0.637 nan 8.270 nan 0.000 0.444 40 Y N 1.898 121.974 120.300 -0.374 0.000 2.331 40 Y HA 0.301 4.892 4.550 0.068 0.000 0.338 40 Y C 0.037 175.885 175.900 -0.087 0.000 0.992 40 Y CA -0.454 57.524 58.100 -0.204 0.000 1.121 40 Y CB 1.833 40.143 38.460 -0.251 0.000 1.184 40 Y HN 0.552 nan 8.280 nan 0.000 0.469 41 E N 1.832 122.099 120.200 0.111 0.000 2.234 41 E HA 0.648 5.039 4.350 0.069 0.000 0.266 41 E C -1.488 175.293 176.600 0.301 0.000 0.877 41 E CA -0.603 55.872 56.400 0.126 0.000 0.758 41 E CB 1.235 30.870 29.700 -0.108 0.000 1.170 41 E HN 0.590 nan 8.360 nan 0.000 0.415 42 S N 2.110 118.034 115.700 0.374 0.000 2.521 42 S HA 0.601 5.112 4.470 0.069 0.000 0.295 42 S C -0.828 173.988 174.600 0.360 0.000 1.098 42 S CA -0.772 57.655 58.200 0.379 0.000 0.999 42 S CB 1.761 65.271 63.200 0.517 0.000 1.034 42 S HN 0.652 nan 8.310 nan 0.000 0.483 43 T N -1.048 113.578 114.554 0.119 0.000 2.906 43 T HA 0.506 4.898 4.350 0.069 0.000 0.295 43 T C 0.749 174.853 174.700 -0.994 0.000 1.075 43 T CA -1.000 60.974 62.100 -0.210 0.000 1.005 43 T CB 1.744 70.549 68.868 -0.104 0.000 1.136 43 T HN 0.461 nan 8.240 nan 0.000 0.498 44 R N 0.821 120.444 120.500 -1.461 0.000 2.105 44 R HA -0.128 4.253 4.340 0.069 0.000 0.239 44 R C 2.373 178.322 176.300 -0.585 0.000 1.135 44 R CA 2.182 57.395 56.100 -1.478 0.000 0.967 44 R CB -0.669 28.980 30.300 -1.085 0.000 0.861 44 R HN 0.821 nan 8.270 nan 0.000 0.442 45 S N -1.537 113.945 115.700 -0.363 0.000 2.465 45 S HA -0.022 4.489 4.470 0.069 0.000 0.241 45 S C 1.352 175.865 174.600 -0.145 0.000 1.000 45 S CA 1.042 59.133 58.200 -0.182 0.000 0.964 45 S CB 0.171 63.302 63.200 -0.114 0.000 0.763 45 S HN 0.628 nan 8.310 nan 0.000 0.512 46 G N 0.426 109.121 108.800 -0.175 0.000 2.198 46 G HA2 -0.137 3.864 3.960 0.069 0.000 0.156 46 G HA3 -0.137 3.864 3.960 0.069 0.000 0.156 46 G C -0.048 174.814 174.900 -0.063 0.000 1.012 46 G CA -0.562 44.480 45.100 -0.096 0.000 0.692 46 G HN 0.517 nan 8.290 nan 0.000 0.492 47 R N 0.715 121.185 120.500 -0.050 0.000 2.489 47 R HA 0.461 4.843 4.340 0.069 0.000 0.287 47 R C -0.100 176.211 176.300 0.018 0.000 1.053 47 R CA 0.053 56.150 56.100 -0.005 0.000 1.036 47 R CB 0.400 30.715 30.300 0.027 0.000 0.966 47 R HN 0.004 nan 8.270 nan 0.000 0.432 48 R N 4.196 124.683 120.500 -0.022 0.000 2.358 48 R HA 0.179 4.561 4.340 0.069 0.000 0.309 48 R C -0.011 176.342 176.300 0.088 0.000 1.026 48 R CA -0.553 55.485 56.100 -0.104 0.000 0.909 48 R CB 1.136 31.160 30.300 -0.460 0.000 1.153 48 R HN 0.797 nan 8.270 nan 0.000 0.515 49 M N 0.811 120.578 119.600 0.279 0.000 2.206 49 M HA -0.252 4.269 4.480 0.069 0.000 0.197 49 M C -0.486 176.074 176.300 0.433 0.000 0.375 49 M CA 1.274 56.820 55.300 0.410 0.000 0.410 49 M CB -1.189 31.739 32.600 0.547 0.000 1.204 49 M HN 0.430 nan 8.290 nan 0.000 0.932 50 E N 0.832 121.172 120.200 0.233 0.000 2.313 50 E HA 0.375 4.766 4.350 0.069 0.000 0.276 50 E C -0.377 176.212 176.600 -0.018 0.000 1.031 50 E CA -0.654 55.812 56.400 0.111 0.000 0.857 50 E CB 1.176 30.900 29.700 0.039 0.000 1.040 50 E HN 0.246 nan 8.360 nan 0.000 0.408 51 L N 3.021 124.176 121.223 -0.113 0.000 2.292 51 L HA 0.273 4.655 4.340 0.069 0.000 0.284 51 L C -0.438 176.266 176.870 -0.278 0.000 1.065 51 L CA 0.276 54.868 54.840 -0.413 0.000 0.806 51 L CB 0.890 42.728 42.059 -0.368 0.000 1.175 51 L HN 0.586 nan 8.230 nan 0.000 0.431 52 S N 4.468 119.974 115.700 -0.323 0.000 2.720 52 S HA 0.877 5.389 4.470 0.069 0.000 0.287 52 S C -0.649 173.780 174.600 -0.285 0.000 1.168 52 S CA -1.006 57.053 58.200 -0.235 0.000 0.832 52 S CB 1.608 64.709 63.200 -0.166 0.000 1.166 52 S HN 0.602 nan 8.310 nan 0.000 0.493 53 M N -0.109 119.315 119.600 -0.294 0.000 2.575 53 M HA 0.726 5.248 4.480 0.069 0.000 0.284 53 M C -0.368 175.580 176.300 -0.587 0.000 1.253 53 M CA -0.366 54.662 55.300 -0.453 0.000 0.861 53 M CB 2.865 35.277 32.600 -0.313 0.000 1.733 53 M HN 1.118 nan 8.290 nan 0.000 0.462 54 G N 1.038 109.191 108.800 -1.077 0.000 2.692 54 G HA2 0.818 4.819 3.960 0.069 0.000 0.291 54 G HA3 0.818 4.819 3.960 0.069 0.000 0.291 54 G C -3.396 171.139 174.900 -0.609 0.000 1.423 54 G CA -1.060 43.484 45.100 -0.928 0.000 0.843 54 G HN 0.331 nan 8.290 nan 0.000 0.486 55 P HA 0.476 nan 4.420 nan 0.000 0.288 55 P C -0.509 176.911 177.300 0.201 0.000 1.267 55 P CA -0.486 62.636 63.100 0.036 0.000 0.815 55 P CB 1.805 33.524 31.700 0.032 0.000 0.989 56 I N 3.053 123.710 120.570 0.145 0.000 2.352 56 I HA 0.146 4.358 4.170 0.069 0.000 0.290 56 I C 0.997 177.157 176.117 0.070 0.000 1.036 56 I CA -0.233 61.114 61.300 0.078 0.000 1.336 56 I CB 0.482 38.481 38.000 -0.002 0.000 1.407 56 I HN 0.124 nan 8.210 nan 0.000 0.497 57 Q N 4.723 124.582 119.800 0.097 0.000 2.214 57 Q HA 0.433 4.815 4.340 0.069 0.000 0.251 57 Q C 0.678 176.799 176.000 0.202 0.000 0.936 57 Q CA -0.467 55.412 55.803 0.127 0.000 0.894 57 Q CB 1.939 30.748 28.738 0.118 0.000 1.252 57 Q HN 0.804 nan 8.270 nan 0.000 0.448 58 A N 2.795 125.709 122.820 0.157 0.000 1.930 58 A HA -0.040 4.321 4.320 0.069 0.000 0.215 58 A C 0.365 178.122 177.584 0.290 0.000 1.176 58 A CA 1.019 53.165 52.037 0.182 0.000 0.632 58 A CB 0.007 19.067 19.000 0.101 0.000 0.819 58 A HN 0.793 nan 8.150 nan 0.000 0.445 59 N N -2.355 116.433 118.700 0.146 0.000 2.380 59 N HA 0.571 5.352 4.740 0.069 0.000 0.290 59 N C -1.094 174.161 175.510 -0.425 0.000 1.236 59 N CA -0.580 52.434 53.050 -0.060 0.000 0.780 59 N CB 1.282 39.732 38.487 -0.061 0.000 1.438 59 N HN 0.383 nan 8.380 nan 0.000 0.491 60 H N -0.776 117.767 119.070 -0.879 0.000 2.954 60 H HA 0.546 5.134 4.556 0.053 0.000 0.361 60 H C -1.762 173.291 175.328 -0.458 0.000 1.122 60 H CA -0.352 55.191 56.048 -0.842 0.000 1.217 60 H CB 1.444 30.303 29.762 -1.506 0.000 1.776 60 H HN 0.475 nan 8.280 nan 0.000 0.533 61 T N 3.170 117.192 114.554 -0.887 0.000 2.893 61 T HA 0.752 5.143 4.350 0.069 0.000 0.293 61 T C -0.294 173.950 174.700 -0.759 0.000 1.027 61 T CA -0.164 61.532 62.100 -0.673 0.000 0.988 61 T CB 1.596 70.264 68.868 -0.334 0.000 1.043 61 T HN 1.084 nan 8.240 nan 0.000 0.461 62 G N 0.696 109.213 108.800 -0.472 0.000 2.369 62 G HA2 0.308 4.310 3.960 0.069 0.000 0.307 62 G HA3 0.308 4.310 3.960 0.069 0.000 0.307 62 G C 0.148 174.989 174.900 -0.097 0.000 1.327 62 G CA 0.023 44.977 45.100 -0.244 0.000 0.963 62 G HN 0.980 nan 8.290 nan 0.000 0.590 63 T N -1.854 112.679 114.554 -0.034 0.000 3.092 63 T HA 0.549 4.941 4.350 0.069 0.000 0.258 63 T C 1.252 175.970 174.700 0.030 0.000 1.031 63 T CA 1.162 63.262 62.100 0.001 0.000 0.925 63 T CB 0.336 69.198 68.868 -0.010 0.000 1.036 63 T HN 1.649 nan 8.240 nan 0.000 0.544 64 G N 1.699 110.532 108.800 0.055 0.000 2.634 64 G HA2 0.481 4.482 3.960 0.069 0.000 0.255 64 G HA3 0.481 4.482 3.960 0.069 0.000 0.255 64 G C -0.246 174.684 174.900 0.050 0.000 1.205 64 G CA -0.877 44.254 45.100 0.051 0.000 0.884 64 G HN 0.497 nan 8.290 nan 0.000 0.549 65 L N -0.157 121.078 121.223 0.021 0.000 2.540 65 L HA 0.372 4.754 4.340 0.069 0.000 0.276 65 L C -0.302 176.560 176.870 -0.014 0.000 1.212 65 L CA -0.100 54.743 54.840 0.006 0.000 0.893 65 L CB 0.592 42.648 42.059 -0.006 0.000 1.138 65 L HN 0.329 nan 8.230 nan 0.000 0.491 66 L N 6.401 127.618 121.223 -0.010 0.000 2.333 66 L HA 0.566 4.947 4.340 0.069 0.000 0.280 66 L C -1.272 175.576 176.870 -0.036 0.000 1.004 66 L CA -0.270 54.546 54.840 -0.041 0.000 0.820 66 L CB 1.498 43.557 42.059 0.001 0.000 1.247 66 L HN 0.564 nan 8.230 nan 0.000 0.416 67 L N 4.811 125.994 121.223 -0.066 0.000 2.287 67 L HA 0.543 4.925 4.340 0.069 0.000 0.287 67 L C -0.336 176.501 176.870 -0.054 0.000 1.022 67 L CA -0.440 54.371 54.840 -0.049 0.000 0.814 67 L CB 1.563 43.588 42.059 -0.056 0.000 1.217 67 L HN 0.560 nan 8.230 nan 0.000 0.420 68 T N 4.035 118.574 114.554 -0.025 0.000 2.772 68 T HA 0.387 4.778 4.350 0.069 0.000 0.288 68 T C -0.080 174.618 174.700 -0.002 0.000 0.994 68 T CA -0.450 61.633 62.100 -0.027 0.000 0.951 68 T CB 1.435 70.298 68.868 -0.009 0.000 0.933 68 T HN 0.253 nan 8.240 nan 0.000 0.447 69 L N 3.675 124.902 121.223 0.006 0.000 2.485 69 L HA 0.144 4.525 4.340 0.069 0.000 0.275 69 L C 0.444 177.333 176.870 0.032 0.000 1.207 69 L CA 0.657 55.523 54.840 0.043 0.000 0.855 69 L CB 0.438 42.550 42.059 0.088 0.000 1.114 69 L HN 0.629 nan 8.230 nan 0.000 0.485 70 Q N 6.228 126.058 119.800 0.050 0.000 2.721 70 Q HA 0.245 4.626 4.340 0.069 0.000 0.257 70 Q C -1.709 174.316 176.000 0.042 0.000 1.070 70 Q CA -1.516 54.315 55.803 0.046 0.000 0.910 70 Q CB 0.973 29.750 28.738 0.065 0.000 1.163 70 Q HN 0.481 nan 8.270 nan 0.000 0.501 71 P HA -0.114 nan 4.420 nan 0.000 0.226 71 P C 0.628 177.926 177.300 -0.004 0.000 1.153 71 P CA 0.809 63.918 63.100 0.014 0.000 0.777 71 P CB 0.446 32.151 31.700 0.008 0.000 0.794 72 E N -1.173 119.021 120.200 -0.010 0.000 2.478 72 E HA 0.025 4.416 4.350 0.069 0.000 0.194 72 E C 0.762 177.320 176.600 -0.071 0.000 1.045 72 E CA 0.250 56.631 56.400 -0.032 0.000 0.868 72 E CB -0.451 29.235 29.700 -0.022 0.000 0.885 72 E HN 0.399 nan 8.360 nan 0.000 0.505 73 Q N 1.576 121.332 119.800 -0.073 0.000 2.377 73 Q HA 0.288 4.669 4.340 0.069 0.000 0.249 73 Q C -0.463 175.324 176.000 -0.355 0.000 1.005 73 Q CA -0.019 55.667 55.803 -0.196 0.000 0.912 73 Q CB 0.907 29.616 28.738 -0.049 0.000 1.223 73 Q HN 0.101 nan 8.270 nan 0.000 0.459 74 K N 3.045 123.140 120.400 -0.508 0.000 2.221 74 K HA 0.515 4.876 4.320 0.069 0.000 0.258 74 K C -0.196 176.040 176.600 -0.606 0.000 0.944 74 K CA -0.336 55.741 56.287 -0.351 0.000 0.823 74 K CB 1.182 33.585 32.500 -0.161 0.000 1.113 74 K HN 0.256 nan 8.250 nan 0.000 0.431 75 F N 0.295 120.269 119.950 0.039 0.000 3.114 75 F HA 0.190 4.756 4.527 0.064 0.000 0.195 75 F C 1.110 176.953 175.800 0.071 0.000 1.540 75 F CA -0.583 57.453 58.000 0.060 0.000 0.910 75 F CB -0.184 38.833 39.000 0.028 0.000 1.972 75 F HN 0.320 nan 8.300 nan 0.000 0.385 76 Q N 2.230 122.214 119.800 0.308 0.000 2.354 76 Q HA 0.261 4.643 4.340 0.069 0.000 0.244 76 Q C -1.350 174.736 176.000 0.144 0.000 0.969 76 Q CA -0.231 55.690 55.803 0.196 0.000 0.885 76 Q CB 1.133 29.977 28.738 0.178 0.000 1.241 76 Q HN 0.485 nan 8.270 nan 0.000 0.461 77 K N 1.186 121.656 120.400 0.116 0.000 2.172 77 K HA 0.380 4.741 4.320 0.069 0.000 0.276 77 K C -0.631 176.013 176.600 0.073 0.000 1.013 77 K CA -0.721 55.619 56.287 0.088 0.000 0.913 77 K CB 1.692 34.235 32.500 0.073 0.000 1.055 77 K HN 0.415 nan 8.250 nan 0.000 0.461 78 V N 3.832 123.777 119.914 0.052 0.000 2.530 78 V HA 0.000 4.161 4.120 0.069 0.000 0.282 78 V C 1.228 177.298 176.094 -0.040 0.000 1.048 78 V CA 0.014 62.319 62.300 0.009 0.000 0.997 78 V CB 1.156 33.004 31.823 0.041 0.000 0.987 78 V HN 0.751 nan 8.190 nan 0.000 0.477 79 K N 3.766 124.119 120.400 -0.079 0.000 2.044 79 K HA 0.360 4.722 4.320 0.069 0.000 0.204 79 K C 0.713 177.164 176.600 -0.247 0.000 1.045 79 K CA 1.446 57.630 56.287 -0.171 0.000 0.951 79 K CB -0.060 32.333 32.500 -0.179 0.000 0.738 79 K HN 0.997 nan 8.250 nan 0.000 0.443 80 G N -2.071 106.529 108.800 -0.332 0.000 2.350 80 G HA2 0.269 4.270 3.960 0.069 0.000 0.276 80 G HA3 0.269 4.270 3.960 0.069 0.000 0.276 80 G C -1.556 172.907 174.900 -0.730 0.000 1.313 80 G CA -0.814 44.055 45.100 -0.384 0.000 0.903 80 G HN 0.030 nan 8.290 nan 0.000 0.490 81 F N -0.301 119.603 119.950 -0.077 0.000 2.601 81 F HA 0.841 5.409 4.527 0.068 0.000 0.309 81 F C 0.778 176.309 175.800 -0.448 0.000 1.089 81 F CA 0.467 58.355 58.000 -0.187 0.000 0.940 81 F CB 2.333 41.247 39.000 -0.143 0.000 1.273 81 F HN 1.295 nan 8.300 nan 0.000 0.450 82 G N 0.034 108.513 108.800 -0.534 0.000 2.435 82 G HA2 0.585 4.586 3.960 0.069 0.000 0.228 82 G HA3 0.585 4.586 3.960 0.069 0.000 0.228 82 G C -1.178 173.283 174.900 -0.732 0.000 1.198 82 G CA 0.026 44.419 45.100 -1.179 0.000 0.948 82 G HN 1.128 nan 8.290 nan 0.000 0.487 83 G N -1.535 107.081 108.800 -0.307 0.000 2.663 83 G HA2 0.780 4.781 3.960 0.069 0.000 0.299 83 G HA3 0.780 4.781 3.960 0.069 0.000 0.299 83 G C -1.234 173.694 174.900 0.047 0.000 1.372 83 G CA 0.507 45.559 45.100 -0.080 0.000 0.781 83 G HN 1.766 nan 8.290 nan 0.000 0.491 84 A N -0.301 122.554 122.820 0.059 0.000 2.304 84 A HA 0.658 5.019 4.320 0.069 0.000 0.323 84 A C -0.248 177.331 177.584 -0.007 0.000 1.195 84 A CA -0.650 51.444 52.037 0.096 0.000 0.826 84 A CB 1.431 20.560 19.000 0.215 0.000 1.184 84 A HN 0.745 nan 8.150 nan 0.000 0.496 85 M N 3.829 123.467 119.600 0.063 0.000 3.396 85 M HA 0.210 4.732 4.480 0.069 0.000 0.255 85 M C 0.704 177.007 176.300 0.006 0.000 1.398 85 M CA -0.173 55.152 55.300 0.041 0.000 1.554 85 M CB -0.830 31.830 32.600 0.100 0.000 1.070 85 M HN 0.781 nan 8.290 nan 0.000 0.587 86 T N -1.268 113.202 114.554 -0.139 0.000 2.766 86 T HA 0.203 4.594 4.350 0.069 0.000 0.295 86 T C 0.848 175.517 174.700 -0.051 0.000 1.024 86 T CA -0.560 61.438 62.100 -0.171 0.000 1.018 86 T CB 0.635 69.246 68.868 -0.430 0.000 1.002 86 T HN 0.493 nan 8.240 nan 0.000 0.532 87 D N 0.963 121.365 120.400 0.002 0.000 2.104 87 D HA -0.097 4.585 4.640 0.069 0.000 0.194 87 D C 2.384 178.708 176.300 0.041 0.000 0.994 87 D CA 1.834 55.868 54.000 0.057 0.000 0.830 87 D CB -0.935 39.928 40.800 0.106 0.000 0.959 87 D HN 0.741 nan 8.370 nan 0.000 0.452 88 A N 1.019 123.865 122.820 0.043 0.000 1.902 88 A HA -0.071 4.291 4.320 0.069 0.000 0.217 88 A C 2.328 179.914 177.584 0.002 0.000 1.181 88 A CA 2.421 54.499 52.037 0.068 0.000 0.623 88 A CB -0.780 18.342 19.000 0.203 0.000 0.818 88 A HN 0.250 nan 8.150 nan 0.000 0.443 89 A N -0.181 122.594 122.820 -0.074 0.000 1.877 89 A HA 0.162 4.524 4.320 0.069 0.000 0.216 89 A C 2.525 180.102 177.584 -0.013 0.000 1.186 89 A CA 2.150 54.147 52.037 -0.066 0.000 0.620 89 A CB -1.056 17.879 19.000 -0.108 0.000 0.822 89 A HN 1.064 nan 8.150 nan 0.000 0.443 90 A N -0.225 122.596 122.820 0.002 0.000 1.877 90 A HA -0.054 4.308 4.320 0.069 0.000 0.216 90 A C 2.184 179.779 177.584 0.018 0.000 1.186 90 A CA 1.517 53.566 52.037 0.020 0.000 0.620 90 A CB -0.677 18.344 19.000 0.035 0.000 0.822 90 A HN 0.469 nan 8.150 nan 0.000 0.443 91 L N -0.159 121.079 121.223 0.024 0.000 2.012 91 L HA -0.255 4.126 4.340 0.069 0.000 0.210 91 L C 2.482 179.363 176.870 0.018 0.000 1.073 91 L CA 1.474 56.330 54.840 0.026 0.000 0.748 91 L CB -0.696 41.387 42.059 0.039 0.000 0.891 91 L HN 0.424 nan 8.230 nan 0.000 0.431 92 N N 0.260 118.969 118.700 0.015 0.000 2.084 92 N HA -0.163 4.618 4.740 0.069 0.000 0.190 92 N C 1.925 177.428 175.510 -0.012 0.000 1.030 92 N CA 1.569 54.622 53.050 0.006 0.000 0.849 92 N CB -0.224 38.266 38.487 0.006 0.000 1.012 92 N HN 0.328 nan 8.380 nan 0.000 0.423 93 I N 1.117 121.675 120.570 -0.020 0.000 2.226 93 I HA -0.213 3.999 4.170 0.069 0.000 0.245 93 I C 1.936 178.036 176.117 -0.029 0.000 1.100 93 I CA 0.881 62.154 61.300 -0.045 0.000 1.374 93 I CB -0.171 37.814 38.000 -0.026 0.000 1.057 93 I HN 0.038 nan 8.210 nan 0.000 0.413 94 L N 0.353 121.572 121.223 -0.008 0.000 2.552 94 L HA -0.022 4.359 4.340 0.069 0.000 0.227 94 L C 2.469 179.341 176.870 0.003 0.000 1.146 94 L CA 0.370 55.209 54.840 -0.000 0.000 0.858 94 L CB -0.423 41.639 42.059 0.007 0.000 0.969 94 L HN 0.208 nan 8.230 nan 0.000 0.451 95 A N -0.311 122.511 122.820 0.003 0.000 2.119 95 A HA 0.137 4.498 4.320 0.069 0.000 0.216 95 A C 1.106 178.696 177.584 0.011 0.000 1.152 95 A CA 0.165 52.208 52.037 0.009 0.000 0.708 95 A CB -0.180 18.827 19.000 0.012 0.000 0.805 95 A HN 0.241 nan 8.150 nan 0.000 0.460 96 L N 0.933 122.160 121.223 0.006 0.000 2.453 96 L HA 0.229 4.610 4.340 0.069 0.000 0.261 96 L C 1.094 177.975 176.870 0.017 0.000 1.179 96 L CA -0.439 54.411 54.840 0.017 0.000 0.813 96 L CB 0.941 43.008 42.059 0.014 0.000 1.110 96 L HN 0.357 nan 8.230 nan 0.000 0.466 97 S N 0.716 116.432 115.700 0.026 0.000 2.579 97 S HA 0.151 4.662 4.470 0.069 0.000 0.275 97 S C -1.909 172.705 174.600 0.022 0.000 1.345 97 S CA -1.026 57.188 58.200 0.023 0.000 1.031 97 S CB 0.806 64.021 63.200 0.025 0.000 0.892 97 S HN 0.410 nan 8.310 nan 0.000 0.529 98 P HA -0.061 nan 4.420 nan 0.000 0.216 98 P C -1.537 175.777 177.300 0.023 0.000 1.154 98 P CA 1.441 64.550 63.100 0.016 0.000 0.865 98 P CB -1.143 30.565 31.700 0.013 0.000 0.789 99 P HA -0.109 nan 4.420 nan 0.000 0.217 99 P C 1.413 178.749 177.300 0.061 0.000 1.150 99 P CA 1.770 64.893 63.100 0.038 0.000 0.832 99 P CB -0.602 31.119 31.700 0.035 0.000 0.787 100 A N -0.143 122.724 122.820 0.078 0.000 1.898 100 A HA -0.250 4.111 4.320 0.069 0.000 0.216 100 A C 2.256 179.882 177.584 0.070 0.000 1.181 100 A CA 1.530 53.657 52.037 0.151 0.000 0.620 100 A CB -1.357 17.740 19.000 0.162 0.000 0.819 100 A HN 0.165 nan 8.150 nan 0.000 0.442 101 Q N -0.266 119.535 119.800 0.002 0.000 2.077 101 Q HA -0.220 4.161 4.340 0.069 0.000 0.206 101 Q C 1.900 177.876 176.000 -0.040 0.000 0.989 101 Q CA 1.596 57.366 55.803 -0.055 0.000 0.853 101 Q CB -0.315 28.411 28.738 -0.020 0.000 0.907 101 Q HN 0.609 nan 8.270 nan 0.000 0.418 102 N N 0.525 119.229 118.700 0.007 0.000 2.149 102 N HA -0.124 4.658 4.740 0.069 0.000 0.188 102 N C 1.754 177.285 175.510 0.036 0.000 1.019 102 N CA 1.036 54.102 53.050 0.027 0.000 0.857 102 N CB -0.180 38.327 38.487 0.033 0.000 0.997 102 N HN 0.231 nan 8.380 nan 0.000 0.426 103 L N 0.301 121.558 121.223 0.057 0.000 2.156 103 L HA -0.028 4.354 4.340 0.069 0.000 0.208 103 L C 2.336 179.245 176.870 0.065 0.000 1.095 103 L CA 0.402 55.306 54.840 0.108 0.000 0.770 103 L CB -0.281 41.897 42.059 0.197 0.000 0.914 103 L HN 0.156 nan 8.230 nan 0.000 0.439 104 L N -0.204 120.895 121.223 -0.208 0.000 2.005 104 L HA -0.216 4.165 4.340 0.069 0.000 0.207 104 L C 2.497 179.253 176.870 -0.191 0.000 1.072 104 L CA 1.389 55.855 54.840 -0.623 0.000 0.744 104 L CB -0.086 41.313 42.059 -1.099 0.000 0.895 104 L HN 0.164 nan 8.230 nan 0.000 0.433 105 L N -0.159 121.060 121.223 -0.006 0.000 2.042 105 L HA -0.261 4.120 4.340 0.069 0.000 0.210 105 L C 2.657 179.691 176.870 0.273 0.000 1.076 105 L CA 1.555 56.540 54.840 0.241 0.000 0.749 105 L CB -0.550 41.623 42.059 0.190 0.000 0.893 105 L HN 0.253 nan 8.230 nan 0.000 0.432 106 K N -0.471 120.012 120.400 0.139 0.000 2.097 106 K HA -0.111 4.250 4.320 0.069 0.000 0.206 106 K C 2.310 178.965 176.600 0.091 0.000 1.049 106 K CA 1.340 57.705 56.287 0.129 0.000 0.933 106 K CB -0.126 32.426 32.500 0.088 0.000 0.717 106 K HN 0.133 nan 8.250 nan 0.000 0.442 107 S N 0.298 116.007 115.700 0.016 0.000 2.374 107 S HA -0.180 4.331 4.470 0.069 0.000 0.227 107 S C 1.748 176.359 174.600 0.019 0.000 1.037 107 S CA 1.401 59.584 58.200 -0.028 0.000 1.024 107 S CB -0.281 62.747 63.200 -0.287 0.000 0.861 107 S HN 0.347 nan 8.310 nan 0.000 0.456 108 Y N -1.215 118.993 120.300 -0.153 0.000 2.231 108 Y HA 0.074 4.665 4.550 0.069 0.000 0.294 108 Y C 1.734 177.208 175.900 -0.710 0.000 1.120 108 Y CA 0.746 58.417 58.100 -0.715 0.000 1.141 108 Y CB 0.030 37.857 38.460 -1.055 0.000 1.022 108 Y HN 0.213 nan 8.280 nan 0.000 0.523 109 F N -1.924 118.096 119.950 0.117 0.000 2.694 109 F HA 0.137 4.706 4.527 0.069 0.000 0.292 109 F C 1.306 177.148 175.800 0.070 0.000 1.121 109 F CA -0.206 57.858 58.000 0.106 0.000 1.352 109 F CB 0.223 39.288 39.000 0.109 0.000 1.107 109 F HN -0.274 nan 8.300 nan 0.000 0.597 110 S N 0.267 116.086 115.700 0.198 0.000 2.617 110 S HA 0.072 4.584 4.470 0.069 0.000 0.269 110 S C 1.370 176.018 174.600 0.079 0.000 1.292 110 S CA -0.542 57.739 58.200 0.135 0.000 1.010 110 S CB 0.804 64.078 63.200 0.122 0.000 0.944 110 S HN 0.111 nan 8.310 nan 0.000 0.536 111 E N 2.188 122.423 120.200 0.059 0.000 2.265 111 E HA -0.115 4.276 4.350 0.069 0.000 0.196 111 E C 1.405 178.035 176.600 0.049 0.000 0.996 111 E CA 1.101 57.510 56.400 0.016 0.000 0.832 111 E CB -0.151 29.560 29.700 0.019 0.000 0.756 111 E HN 0.755 nan 8.360 nan 0.000 0.491 112 E N 0.176 120.443 120.200 0.111 0.000 2.482 112 E HA 0.043 4.434 4.350 0.069 0.000 0.196 112 E C 1.184 177.964 176.600 0.300 0.000 1.047 112 E CA 0.463 56.979 56.400 0.192 0.000 0.869 112 E CB 0.274 30.058 29.700 0.139 0.000 0.836 112 E HN 0.132 nan 8.360 nan 0.000 0.520 113 G N 1.207 110.136 108.800 0.215 0.000 3.247 113 G HA2 0.352 4.353 3.960 0.069 0.000 0.163 113 G HA3 0.352 4.353 3.960 0.069 0.000 0.163 113 G C 0.558 175.527 174.900 0.115 0.000 1.206 113 G CA -0.498 44.753 45.100 0.251 0.000 0.918 113 G HN 0.188 nan 8.290 nan 0.000 0.625 114 I N -2.345 118.198 120.570 -0.046 0.000 3.941 114 I HA 0.517 4.728 4.170 0.069 0.000 0.335 114 I C 1.166 177.150 176.117 -0.221 0.000 1.402 114 I CA 0.288 61.428 61.300 -0.266 0.000 1.112 114 I CB 0.532 38.263 38.000 -0.449 0.000 1.043 114 I HN 0.819 nan 8.210 nan 0.000 0.395 115 G N 1.156 109.888 108.800 -0.115 0.000 2.221 115 G HA2 -0.320 3.682 3.960 0.069 0.000 0.265 115 G HA3 -0.320 3.682 3.960 0.069 0.000 0.265 115 G C 0.073 175.045 174.900 0.120 0.000 1.041 115 G CA -0.098 44.989 45.100 -0.021 0.000 0.807 115 G HN 0.639 nan 8.290 nan 0.000 0.502 116 Y N 0.363 120.604 120.300 -0.098 0.000 2.903 116 Y HA -0.004 4.587 4.550 0.069 0.000 0.338 116 Y C 1.691 177.664 175.900 0.122 0.000 1.265 116 Y CA 0.661 58.723 58.100 -0.064 0.000 1.532 116 Y CB 0.475 38.696 38.460 -0.399 0.000 1.293 116 Y HN 0.478 nan 8.280 nan 0.000 0.609 117 N N 3.018 121.853 118.700 0.225 0.000 2.232 117 N HA 0.180 4.961 4.740 0.069 0.000 0.240 117 N C -0.946 174.606 175.510 0.071 0.000 1.307 117 N CA 0.147 53.290 53.050 0.154 0.000 0.859 117 N CB 0.369 38.890 38.487 0.057 0.000 1.260 117 N HN 0.492 nan 8.380 nan 0.000 0.501 118 I N 1.221 121.845 120.570 0.090 0.000 2.619 118 I HA 0.469 4.681 4.170 0.069 0.000 0.292 118 I C -0.944 175.264 176.117 0.152 0.000 1.100 118 I CA -0.808 60.531 61.300 0.065 0.000 1.043 118 I CB 2.539 40.559 38.000 0.033 0.000 1.239 118 I HN -0.136 nan 8.210 nan 0.000 0.420 119 I N 5.436 126.109 120.570 0.171 0.000 2.439 119 I HA 0.409 4.621 4.170 0.069 0.000 0.285 119 I C -0.202 176.049 176.117 0.223 0.000 1.021 119 I CA -0.571 60.845 61.300 0.193 0.000 1.091 119 I CB 1.907 39.991 38.000 0.140 0.000 1.242 119 I HN 0.499 nan 8.210 nan 0.000 0.439 120 R N 5.376 126.020 120.500 0.240 0.000 2.308 120 R HA 0.610 4.991 4.340 0.069 0.000 0.305 120 R C -1.330 175.157 176.300 0.312 0.000 1.053 120 R CA -0.322 55.961 56.100 0.304 0.000 0.957 120 R CB 1.151 31.642 30.300 0.318 0.000 1.022 120 R HN 0.443 nan 8.270 nan 0.000 0.461 121 V N 7.535 127.661 119.914 0.354 0.000 2.376 121 V HA 0.326 4.488 4.120 0.069 0.000 0.287 121 V C -2.218 174.044 176.094 0.281 0.000 1.015 121 V CA -2.216 60.284 62.300 0.333 0.000 0.834 121 V CB 1.608 33.701 31.823 0.450 0.000 1.001 121 V HN 0.836 nan 8.190 nan 0.000 0.428 122 P HA 0.212 nan 4.420 nan 0.000 0.268 122 P C -0.280 177.077 177.300 0.095 0.000 1.205 122 P CA 0.010 63.232 63.100 0.203 0.000 0.771 122 P CB 0.398 32.042 31.700 -0.094 0.000 0.858 123 M N 3.248 122.833 119.600 -0.026 0.000 2.319 123 M HA 0.404 4.925 4.480 0.069 0.000 0.343 123 M C 0.739 176.948 176.300 -0.151 0.000 1.364 123 M CA 0.248 55.438 55.300 -0.183 0.000 1.292 123 M CB -0.630 31.648 32.600 -0.536 0.000 1.432 123 M HN 0.598 nan 8.290 nan 0.000 0.448 124 A N 1.746 124.415 122.820 -0.251 0.000 5.950 124 A HA -0.172 4.190 4.320 0.069 0.000 0.259 124 A C 0.299 177.585 177.584 -0.497 0.000 2.176 124 A CA 0.455 52.159 52.037 -0.554 0.000 0.709 124 A CB -1.732 16.682 19.000 -0.977 0.000 1.054 124 A HN 0.882 nan 8.150 nan 0.000 0.357 125 S N -0.205 114.959 115.700 -0.894 0.000 2.584 125 S HA 0.619 5.130 4.470 0.069 0.000 0.273 125 S C 0.508 174.842 174.600 -0.442 0.000 1.311 125 S CA 0.148 57.867 58.200 -0.800 0.000 1.034 125 S CB 0.660 63.190 63.200 -1.117 0.000 0.939 125 S HN 2.481 nan 8.310 nan 0.000 0.513 126 C N 0.681 119.740 119.300 -0.401 0.000 3.327 126 C HA 0.647 5.149 4.460 0.069 0.000 0.366 126 C C 1.470 176.449 174.990 -0.019 0.000 2.438 126 C CA 0.006 58.751 59.018 -0.455 0.000 1.438 126 C CB 0.512 27.440 27.740 -1.352 0.000 2.876 126 C HN 0.892 nan 8.230 nan 0.000 0.483 127 D N 0.591 120.977 120.400 -0.024 0.000 2.219 127 D HA -0.118 4.563 4.640 0.069 0.000 0.205 127 D C 0.658 176.798 176.300 -0.268 0.000 0.970 127 D CA 1.121 55.029 54.000 -0.154 0.000 0.851 127 D CB -0.470 39.933 40.800 -0.661 0.000 0.943 127 D HN 0.586 nan 8.370 nan 0.000 0.488 128 F N 1.457 121.361 119.950 -0.075 0.000 2.705 128 F HA 0.275 4.844 4.527 0.069 0.000 0.355 128 F C 0.364 176.129 175.800 -0.058 0.000 1.172 128 F CA -0.009 57.933 58.000 -0.097 0.000 1.332 128 F CB -0.033 38.811 39.000 -0.259 0.000 1.621 128 F HN -0.249 nan 8.300 nan 0.000 0.605 129 S N 0.226 115.998 115.700 0.120 0.000 2.588 129 S HA 0.449 4.960 4.470 0.069 0.000 0.275 129 S C 0.745 175.447 174.600 0.169 0.000 1.130 129 S CA -0.745 57.529 58.200 0.123 0.000 0.855 129 S CB 1.791 65.015 63.200 0.041 0.000 1.116 129 S HN 0.394 nan 8.310 nan 0.000 0.472 130 I N -0.711 119.939 120.570 0.134 0.000 3.860 130 I HA 0.397 4.608 4.170 0.069 0.000 0.319 130 I C 0.501 176.655 176.117 0.062 0.000 1.279 130 I CA -0.091 61.286 61.300 0.128 0.000 1.220 130 I CB -0.030 38.031 38.000 0.103 0.000 1.027 130 I HN 0.493 nan 8.210 nan 0.000 0.428 131 R N 0.929 121.431 120.500 0.003 0.000 2.764 131 R HA 0.543 4.924 4.340 0.069 0.000 0.270 131 R C -0.977 175.172 176.300 -0.252 0.000 1.014 131 R CA -0.406 55.622 56.100 -0.120 0.000 0.904 131 R CB 0.970 31.266 30.300 -0.007 0.000 1.236 131 R HN 0.094 nan 8.270 nan 0.000 0.466 132 T N -0.180 114.114 114.554 -0.433 0.000 2.799 132 T HA 0.606 4.997 4.350 0.069 0.000 0.286 132 T C -0.593 174.006 174.700 -0.168 0.000 0.973 132 T CA -0.535 61.256 62.100 -0.515 0.000 1.035 132 T CB 0.461 68.897 68.868 -0.720 0.000 0.932 132 T HN 0.637 nan 8.240 nan 0.000 0.469 133 Y N -0.783 119.384 120.300 -0.221 0.000 2.604 133 Y HA 0.706 5.297 4.550 0.069 0.000 0.331 133 Y C -0.359 175.446 175.900 -0.159 0.000 1.158 133 Y CA -1.185 56.824 58.100 -0.151 0.000 1.056 133 Y CB 0.759 39.149 38.460 -0.117 0.000 1.330 133 Y HN 0.908 nan 8.280 nan 0.000 0.457 134 T N -2.469 112.095 114.554 0.017 0.000 2.762 134 T HA 0.427 4.818 4.350 0.069 0.000 0.272 134 T C -0.329 174.430 174.700 0.097 0.000 0.982 134 T CA -0.625 61.453 62.100 -0.038 0.000 1.013 134 T CB 0.962 69.847 68.868 0.029 0.000 1.309 134 T HN 0.767 nan 8.240 nan 0.000 0.572 135 Y N -0.209 120.209 120.300 0.195 0.000 2.490 135 Y HA 0.506 5.097 4.550 0.069 0.000 0.281 135 Y C 1.559 177.317 175.900 -0.236 0.000 1.174 135 Y CA -0.297 57.640 58.100 -0.271 0.000 1.295 135 Y CB 0.436 38.288 38.460 -1.013 0.000 1.062 135 Y HN 0.764 nan 8.280 nan 0.000 0.522 136 A N -0.309 122.704 122.820 0.322 0.000 3.410 136 A HA 0.256 4.617 4.320 0.069 0.000 0.276 136 A C -0.250 177.636 177.584 0.503 0.000 0.995 136 A CA -0.442 51.857 52.037 0.437 0.000 0.934 136 A CB -0.205 19.225 19.000 0.717 0.000 1.191 136 A HN 0.115 nan 8.150 nan 0.000 0.511 137 D N 0.486 121.086 120.400 0.333 0.000 2.355 137 D HA 0.009 4.691 4.640 0.069 0.000 0.218 137 D C 0.379 176.840 176.300 0.270 0.000 1.004 137 D CA 0.908 55.100 54.000 0.321 0.000 0.880 137 D CB 0.290 41.197 40.800 0.178 0.000 0.911 137 D HN 0.413 nan 8.370 nan 0.000 0.528 138 T N 3.582 118.240 114.554 0.173 0.000 2.829 138 T HA 0.135 4.526 4.350 0.069 0.000 0.293 138 T C -2.384 172.131 174.700 -0.309 0.000 0.970 138 T CA -1.027 61.064 62.100 -0.014 0.000 1.168 138 T CB 1.088 69.945 68.868 -0.019 0.000 0.911 138 T HN -0.029 nan 8.240 nan 0.000 0.535 139 P HA 0.149 nan 4.420 nan 0.000 0.268 139 P C 0.170 176.821 177.300 -1.082 0.000 1.204 139 P CA 0.081 62.727 63.100 -0.757 0.000 0.768 139 P CB 0.279 31.818 31.700 -0.267 0.000 0.842 140 D N -0.347 118.949 120.400 -1.840 0.000 3.012 140 D HA -0.190 4.492 4.640 0.069 0.000 0.222 140 D C -0.012 175.552 176.300 -1.227 0.000 1.167 140 D CA 1.062 54.238 54.000 -1.374 0.000 0.854 140 D CB -1.797 38.769 40.800 -0.390 0.000 1.107 140 D HN 0.469 nan 8.370 nan 0.000 0.421 141 D N -0.590 118.915 120.400 -1.491 0.000 2.767 141 D HA 0.077 4.758 4.640 0.069 0.000 0.231 141 D C 1.065 177.223 176.300 -0.236 0.000 1.105 141 D CA -0.178 53.482 54.000 -0.567 0.000 1.024 141 D CB -0.852 39.801 40.800 -0.244 0.000 1.123 141 D HN 0.179 nan 8.370 nan 0.000 0.470 142 F N 0.344 120.261 119.950 -0.054 0.000 2.269 142 F HA -0.144 4.424 4.527 0.069 0.000 0.301 142 F C 2.301 178.176 175.800 0.125 0.000 1.082 142 F CA 0.887 58.996 58.000 0.182 0.000 1.360 142 F CB -0.111 38.947 39.000 0.097 0.000 1.041 142 F HN 0.284 nan 8.300 nan 0.000 0.512 143 Q N 0.095 119.959 119.800 0.106 0.000 2.436 143 Q HA 0.010 4.392 4.340 0.069 0.000 0.209 143 Q C 0.782 176.824 176.000 0.070 0.000 0.965 143 Q CA 0.361 56.126 55.803 -0.064 0.000 0.910 143 Q CB 0.020 28.386 28.738 -0.621 0.000 0.980 143 Q HN 0.398 nan 8.270 nan 0.000 0.491 144 L N 0.406 121.745 121.223 0.194 0.000 3.678 144 L HA -0.339 4.043 4.340 0.069 0.000 0.425 144 L C 0.732 177.817 176.870 0.358 0.000 1.240 144 L CA 0.203 55.245 54.840 0.336 0.000 0.876 144 L CB -2.078 40.209 42.059 0.379 0.000 1.766 144 L HN 0.489 nan 8.230 nan 0.000 0.917 145 H N -1.366 117.814 119.070 0.184 0.000 2.457 145 H HA -0.081 4.516 4.556 0.069 0.000 0.294 145 H C 1.643 177.064 175.328 0.155 0.000 1.064 145 H CA 1.335 57.468 56.048 0.141 0.000 1.330 145 H CB 0.229 30.048 29.762 0.094 0.000 1.395 145 H HN 0.470 nan 8.280 nan 0.000 0.541 146 N N 0.123 119.002 118.700 0.297 0.000 2.321 146 N HA 0.051 4.832 4.740 0.069 0.000 0.242 146 N C -0.662 175.000 175.510 0.254 0.000 1.141 146 N CA -0.339 52.844 53.050 0.221 0.000 0.864 146 N CB -0.184 38.394 38.487 0.151 0.000 1.100 146 N HN 0.162 nan 8.380 nan 0.000 0.510 147 F N 2.677 122.736 119.950 0.182 0.000 2.538 147 F HA 0.369 4.937 4.527 0.069 0.000 0.371 147 F C 0.700 176.563 175.800 0.105 0.000 1.087 147 F CA 0.161 58.258 58.000 0.161 0.000 1.250 147 F CB 0.381 39.451 39.000 0.117 0.000 1.110 147 F HN 0.174 nan 8.300 nan 0.000 0.570 148 S N 6.214 121.695 115.700 -0.365 0.000 2.552 148 S HA 0.525 5.037 4.470 0.069 0.000 0.272 148 S C -1.439 173.005 174.600 -0.260 0.000 1.150 148 S CA -1.235 56.869 58.200 -0.160 0.000 0.849 148 S CB 0.870 64.070 63.200 0.001 0.000 1.113 148 S HN 0.699 nan 8.310 nan 0.000 0.458 149 L N 2.922 124.042 121.223 -0.173 0.000 2.319 149 L HA 0.504 4.885 4.340 0.069 0.000 0.280 149 L C -1.694 175.155 176.870 -0.034 0.000 1.099 149 L CA -1.570 53.191 54.840 -0.131 0.000 0.828 149 L CB 0.440 42.387 42.059 -0.187 0.000 1.150 149 L HN 0.607 nan 8.230 nan 0.000 0.442 150 P HA 0.189 nan 4.420 nan 0.000 0.297 150 P C 0.032 177.279 177.300 -0.087 0.000 1.307 150 P CA -0.517 62.531 63.100 -0.086 0.000 0.773 150 P CB 0.947 32.505 31.700 -0.237 0.000 1.265 151 E N -0.405 119.731 120.200 -0.107 0.000 2.204 151 E HA -0.168 4.223 4.350 0.069 0.000 0.194 151 E C 1.586 178.152 176.600 -0.057 0.000 0.989 151 E CA 0.959 57.315 56.400 -0.072 0.000 0.824 151 E CB -0.111 29.551 29.700 -0.063 0.000 0.756 151 E HN 0.455 nan 8.360 nan 0.000 0.477 152 E N 1.126 121.276 120.200 -0.083 0.000 2.097 152 E HA -0.215 4.177 4.350 0.069 0.000 0.196 152 E C 1.357 177.998 176.600 0.069 0.000 1.000 152 E CA 1.816 58.214 56.400 -0.004 0.000 0.804 152 E CB -0.064 29.635 29.700 -0.002 0.000 0.740 152 E HN 0.310 nan 8.360 nan 0.000 0.454 153 D N -1.325 119.122 120.400 0.079 0.000 2.146 153 D HA -0.084 4.598 4.640 0.069 0.000 0.209 153 D C 2.024 178.263 176.300 -0.102 0.000 0.973 153 D CA 1.924 55.963 54.000 0.065 0.000 0.860 153 D CB -0.239 40.629 40.800 0.114 0.000 1.015 153 D HN 0.274 nan 8.370 nan 0.000 0.465 154 T N -1.452 113.017 114.554 -0.140 0.000 2.985 154 T HA 0.032 4.423 4.350 0.069 0.000 0.266 154 T C 1.609 176.268 174.700 -0.068 0.000 1.076 154 T CA 0.672 62.666 62.100 -0.177 0.000 1.135 154 T CB 0.025 68.829 68.868 -0.106 0.000 0.890 154 T HN -0.019 nan 8.240 nan 0.000 0.480 155 K N 0.107 120.483 120.400 -0.040 0.000 2.335 155 K HA 0.376 4.737 4.320 0.069 0.000 0.195 155 K C 1.845 178.442 176.600 -0.005 0.000 1.058 155 K CA 0.207 56.484 56.287 -0.016 0.000 0.988 155 K CB 0.250 32.741 32.500 -0.015 0.000 0.880 155 K HN 0.333 nan 8.250 nan 0.000 0.513 156 L N 0.065 121.289 121.223 0.001 0.000 2.546 156 L HA 0.095 4.476 4.340 0.069 0.000 0.182 156 L C 2.032 178.921 176.870 0.032 0.000 1.167 156 L CA 0.363 55.215 54.840 0.019 0.000 0.845 156 L CB -0.343 41.734 42.059 0.029 0.000 1.134 156 L HN -0.120 nan 8.230 nan 0.000 0.500 157 K N 0.711 121.144 120.400 0.056 0.000 2.001 157 K HA -0.034 4.328 4.320 0.069 0.000 0.208 157 K C 2.048 178.681 176.600 0.055 0.000 1.048 157 K CA 1.330 57.671 56.287 0.089 0.000 0.932 157 K CB -0.118 32.493 32.500 0.186 0.000 0.715 157 K HN 0.126 nan 8.250 nan 0.000 0.437 158 I N 1.030 121.597 120.570 -0.005 0.000 2.127 158 I HA -0.216 3.996 4.170 0.069 0.000 0.241 158 I C -1.009 175.129 176.117 0.035 0.000 1.075 158 I CA 1.254 62.513 61.300 -0.068 0.000 1.334 158 I CB -0.875 36.961 38.000 -0.273 0.000 1.040 158 I HN 0.085 nan 8.210 nan 0.000 0.405 159 P HA -0.160 nan 4.420 nan 0.000 0.216 159 P C 1.910 179.246 177.300 0.060 0.000 1.150 159 P CA 1.432 64.583 63.100 0.084 0.000 0.837 159 P CB 0.028 31.751 31.700 0.038 0.000 0.786 160 L N -1.530 119.708 121.223 0.024 0.000 2.093 160 L HA -0.133 4.249 4.340 0.069 0.000 0.208 160 L C 2.366 179.206 176.870 -0.051 0.000 1.085 160 L CA 1.233 56.074 54.840 0.002 0.000 0.755 160 L CB -0.697 41.370 42.059 0.014 0.000 0.904 160 L HN -0.061 nan 8.230 nan 0.000 0.435 161 I N -1.109 119.420 120.570 -0.069 0.000 2.163 161 I HA -0.340 3.871 4.170 0.069 0.000 0.243 161 I C 2.649 178.639 176.117 -0.213 0.000 1.085 161 I CA 1.113 62.311 61.300 -0.170 0.000 1.347 161 I CB -0.572 37.339 38.000 -0.149 0.000 1.044 161 I HN 0.305 nan 8.210 nan 0.000 0.408 162 H N 1.097 120.114 119.070 -0.088 0.000 2.289 162 H HA -0.166 4.431 4.556 0.069 0.000 0.296 162 H C 2.540 177.813 175.328 -0.091 0.000 1.091 162 H CA 1.748 57.748 56.048 -0.081 0.000 1.274 162 H CB -0.278 29.452 29.762 -0.052 0.000 1.364 162 H HN 0.301 nan 8.280 nan 0.000 0.490 163 R N 0.201 120.727 120.500 0.043 0.000 2.091 163 R HA -0.090 4.291 4.340 0.069 0.000 0.238 163 R C 2.615 178.873 176.300 -0.070 0.000 1.136 163 R CA 1.073 57.172 56.100 -0.003 0.000 0.959 163 R CB -0.279 30.024 30.300 0.005 0.000 0.856 163 R HN 0.253 nan 8.270 nan 0.000 0.437 164 A N 1.428 124.127 122.820 -0.202 0.000 1.892 164 A HA -0.180 4.182 4.320 0.069 0.000 0.218 164 A C 2.185 179.569 177.584 -0.334 0.000 1.188 164 A CA 1.399 53.152 52.037 -0.474 0.000 0.631 164 A CB -0.720 17.595 19.000 -1.141 0.000 0.822 164 A HN 0.203 nan 8.150 nan 0.000 0.447 165 L N -1.088 119.987 121.223 -0.247 0.000 2.079 165 L HA -0.287 4.094 4.340 0.069 0.000 0.210 165 L C 2.845 179.694 176.870 -0.036 0.000 1.081 165 L CA 1.804 56.572 54.840 -0.120 0.000 0.752 165 L CB -0.756 41.250 42.059 -0.090 0.000 0.896 165 L HN 0.507 nan 8.230 nan 0.000 0.433 166 Q N -0.141 119.650 119.800 -0.014 0.000 2.167 166 Q HA -0.124 4.257 4.340 0.069 0.000 0.202 166 Q C 2.275 178.289 176.000 0.024 0.000 0.970 166 Q CA 1.113 56.924 55.803 0.014 0.000 0.855 166 Q CB -0.025 28.724 28.738 0.019 0.000 0.911 166 Q HN 0.526 nan 8.270 nan 0.000 0.438 167 L N -0.134 121.107 121.223 0.030 0.000 2.341 167 L HA 0.120 4.501 4.340 0.069 0.000 0.214 167 L C 0.801 177.729 176.870 0.098 0.000 1.115 167 L CA -0.407 54.476 54.840 0.071 0.000 0.820 167 L CB -0.036 42.085 42.059 0.104 0.000 0.944 167 L HN 0.011 nan 8.230 nan 0.000 0.452 168 A N -0.408 122.467 122.820 0.092 0.000 2.363 168 A HA 0.179 4.540 4.320 0.069 0.000 0.270 168 A C 0.901 178.528 177.584 0.072 0.000 1.121 168 A CA -0.281 51.827 52.037 0.119 0.000 0.800 168 A CB 0.892 19.974 19.000 0.137 0.000 1.052 168 A HN 0.242 nan 8.150 nan 0.000 0.493 169 Q N 0.916 120.756 119.800 0.067 0.000 2.062 169 Q HA -0.030 4.352 4.340 0.069 0.000 0.196 169 Q C 0.407 176.428 176.000 0.035 0.000 0.967 169 Q CA 0.937 56.767 55.803 0.044 0.000 0.832 169 Q CB 0.034 28.794 28.738 0.037 0.000 0.899 169 Q HN 0.789 nan 8.270 nan 0.000 0.442 170 R N 1.517 122.041 120.500 0.041 0.000 2.543 170 R HA 0.139 4.520 4.340 0.069 0.000 0.277 170 R C -2.353 173.962 176.300 0.026 0.000 1.074 170 R CA -1.559 54.558 56.100 0.028 0.000 1.076 170 R CB -0.124 30.195 30.300 0.032 0.000 0.993 170 R HN 0.051 nan 8.270 nan 0.000 0.459 171 P HA -0.007 nan 4.420 nan 0.000 0.268 171 P C -0.827 176.462 177.300 -0.018 0.000 1.204 171 P CA 0.013 63.106 63.100 -0.013 0.000 0.768 171 P CB 0.605 32.288 31.700 -0.029 0.000 0.842 172 V N 3.285 123.187 119.914 -0.019 0.000 2.483 172 V HA 0.303 4.465 4.120 0.069 0.000 0.295 172 V C 0.338 176.399 176.094 -0.055 0.000 1.035 172 V CA -0.239 62.053 62.300 -0.013 0.000 0.896 172 V CB 1.716 33.537 31.823 -0.002 0.000 0.986 172 V HN 0.463 nan 8.190 nan 0.000 0.447 173 S N 5.388 121.043 115.700 -0.075 0.000 2.462 173 S HA 0.688 5.200 4.470 0.069 0.000 0.294 173 S C -0.430 174.206 174.600 0.061 0.000 1.144 173 S CA -0.492 57.674 58.200 -0.057 0.000 1.088 173 S CB 0.868 63.862 63.200 -0.344 0.000 1.009 173 S HN 0.484 nan 8.310 nan 0.000 0.484 174 L N 3.315 124.584 121.223 0.077 0.000 2.334 174 L HA 0.673 5.054 4.340 0.069 0.000 0.275 174 L C -0.801 176.325 176.870 0.426 0.000 1.036 174 L CA -0.973 53.901 54.840 0.055 0.000 0.807 174 L CB 1.129 42.866 42.059 -0.536 0.000 1.231 174 L HN 0.410 nan 8.230 nan 0.000 0.438 175 L N 2.668 124.201 121.223 0.516 0.000 2.406 175 L HA 0.802 5.183 4.340 0.069 0.000 0.272 175 L C -0.640 176.471 176.870 0.401 0.000 0.980 175 L CA -0.191 54.917 54.840 0.446 0.000 0.831 175 L CB 1.581 43.866 42.059 0.376 0.000 1.253 175 L HN 0.658 nan 8.230 nan 0.000 0.406 176 A N 3.204 126.125 122.820 0.169 0.000 2.324 176 A HA 0.929 5.290 4.320 0.069 0.000 0.330 176 A C -0.678 176.863 177.584 -0.072 0.000 1.165 176 A CA -0.423 51.569 52.037 -0.076 0.000 0.813 176 A CB 1.087 19.726 19.000 -0.601 0.000 1.197 176 A HN 0.725 nan 8.150 nan 0.000 0.484 177 S N 2.745 118.442 115.700 -0.006 0.000 2.575 177 S HA 0.698 5.210 4.470 0.069 0.000 0.278 177 S C -3.077 171.579 174.600 0.094 0.000 1.139 177 S CA -0.909 57.299 58.200 0.012 0.000 0.954 177 S CB 2.222 65.440 63.200 0.030 0.000 1.054 177 S HN 0.646 nan 8.310 nan 0.000 0.483 178 P HA 0.301 nan 4.420 nan 0.000 0.290 178 P C 0.063 177.501 177.300 0.230 0.000 1.275 178 P CA -0.685 62.503 63.100 0.147 0.000 0.841 178 P CB 1.162 32.905 31.700 0.071 0.000 1.042 179 W N 0.854 122.160 121.300 0.010 0.000 2.601 179 W HA 0.040 4.742 4.660 0.069 0.000 0.292 179 W C 0.756 177.257 176.519 -0.030 0.000 1.153 179 W CA 0.743 58.103 57.345 0.025 0.000 1.448 179 W CB 0.179 29.672 29.460 0.055 0.000 1.113 179 W HN 0.238 nan 8.180 nan 0.000 0.548 180 T N 0.237 114.869 114.554 0.130 0.000 2.893 180 T HA 0.318 4.709 4.350 0.069 0.000 0.291 180 T C -0.041 174.433 174.700 -0.376 0.000 1.028 180 T CA -0.459 61.557 62.100 -0.141 0.000 0.995 180 T CB 1.464 70.261 68.868 -0.119 0.000 1.051 180 T HN -0.035 nan 8.240 nan 0.000 0.470 181 S N 4.308 119.486 115.700 -0.870 0.000 2.600 181 S HA 0.519 5.030 4.470 0.069 0.000 0.265 181 S C -2.603 171.580 174.600 -0.695 0.000 1.325 181 S CA -1.030 56.425 58.200 -1.241 0.000 1.002 181 S CB -0.047 62.083 63.200 -1.783 0.000 0.921 181 S HN 0.559 nan 8.310 nan 0.000 0.554 182 P HA 0.007 nan 4.420 nan 0.000 0.264 182 P C 1.172 178.056 177.300 -0.693 0.000 1.173 182 P CA 0.323 63.068 63.100 -0.592 0.000 0.761 182 P CB 0.165 31.312 31.700 -0.921 0.000 0.794 183 T N -1.270 113.049 114.554 -0.390 0.000 2.995 183 T HA -0.108 4.284 4.350 0.069 0.000 0.269 183 T C 1.289 175.870 174.700 -0.199 0.000 1.091 183 T CA 0.486 62.433 62.100 -0.254 0.000 1.128 183 T CB -0.666 68.148 68.868 -0.090 0.000 0.891 183 T HN 0.580 nan 8.240 nan 0.000 0.492 184 W N 1.252 122.491 121.300 -0.101 0.000 3.077 184 W HA 0.327 5.029 4.660 0.069 0.000 0.245 184 W C 0.658 177.147 176.519 -0.051 0.000 1.316 184 W CA -0.427 56.874 57.345 -0.072 0.000 1.537 184 W CB -0.840 28.572 29.460 -0.080 0.000 1.131 184 W HN 0.255 nan 8.180 nan 0.000 0.695 185 L N 0.831 121.754 121.223 -0.500 0.000 2.592 185 L HA 0.185 4.567 4.340 0.069 0.000 0.227 185 L C 0.753 177.379 176.870 -0.408 0.000 1.127 185 L CA 0.679 55.293 54.840 -0.377 0.000 0.884 185 L CB -0.296 41.399 42.059 -0.607 0.000 1.065 185 L HN -0.262 nan 8.230 nan 0.000 0.457 186 K N -0.563 119.619 120.400 -0.363 0.000 2.156 186 K HA 0.255 4.617 4.320 0.069 0.000 0.254 186 K C 1.166 177.612 176.600 -0.256 0.000 0.950 186 K CA -0.021 56.053 56.287 -0.354 0.000 0.849 186 K CB 1.833 34.131 32.500 -0.338 0.000 1.100 186 K HN -0.087 nan 8.250 nan 0.000 0.434 187 T N -1.656 112.748 114.554 -0.251 0.000 2.788 187 T HA -0.175 4.217 4.350 0.069 0.000 0.268 187 T C 1.214 175.838 174.700 -0.126 0.000 1.044 187 T CA 1.551 63.541 62.100 -0.183 0.000 1.139 187 T CB -0.231 68.536 68.868 -0.167 0.000 0.867 187 T HN 0.679 nan 8.240 nan 0.000 0.454 188 N N 1.307 119.932 118.700 -0.125 0.000 2.236 188 N HA 0.167 4.948 4.740 0.069 0.000 0.196 188 N C 1.503 176.970 175.510 -0.071 0.000 1.114 188 N CA 0.596 53.595 53.050 -0.086 0.000 0.859 188 N CB -0.473 37.965 38.487 -0.081 0.000 0.982 188 N HN 0.637 nan 8.380 nan 0.000 0.493 189 G N -0.027 108.722 108.800 -0.086 0.000 2.283 189 G HA2 -0.068 3.934 3.960 0.069 0.000 0.280 189 G HA3 -0.068 3.934 3.960 0.069 0.000 0.280 189 G C 0.054 174.923 174.900 -0.051 0.000 1.029 189 G CA 0.600 45.666 45.100 -0.057 0.000 0.840 189 G HN 0.901 nan 8.290 nan 0.000 0.505 190 A N -1.786 120.990 122.820 -0.073 0.000 2.556 190 A HA 0.880 5.241 4.320 0.069 0.000 0.294 190 A C 1.176 178.718 177.584 -0.069 0.000 1.091 190 A CA 0.295 52.301 52.037 -0.051 0.000 0.704 190 A CB 1.085 20.071 19.000 -0.023 0.000 1.300 190 A HN 1.495 nan 8.150 nan 0.000 0.406 191 V N -1.005 118.883 119.914 -0.043 0.000 2.809 191 V HA 0.075 4.236 4.120 0.069 0.000 0.256 191 V C 0.607 176.729 176.094 0.046 0.000 1.080 191 V CA 1.781 64.059 62.300 -0.037 0.000 1.102 191 V CB -1.539 30.258 31.823 -0.044 0.000 0.705 191 V HN 0.938 nan 8.190 nan 0.000 0.475 192 N N 0.157 118.908 118.700 0.085 0.000 3.100 192 N HA 0.695 5.477 4.740 0.069 0.000 0.344 192 N C 0.367 175.912 175.510 0.059 0.000 1.413 192 N CA 0.150 53.275 53.050 0.126 0.000 0.752 192 N CB 0.659 39.249 38.487 0.172 0.000 1.519 192 N HN 0.934 nan 8.380 nan 0.000 0.620 193 G N -0.645 108.198 108.800 0.071 0.000 2.796 193 G HA2 -0.166 3.835 3.960 0.069 0.000 0.571 193 G HA3 -0.166 3.835 3.960 0.069 0.000 0.571 193 G C -1.009 173.900 174.900 0.015 0.000 1.370 193 G CA -0.240 44.877 45.100 0.029 0.000 0.856 193 G HN 0.853 nan 8.290 nan 0.000 0.538 194 K N 0.367 120.759 120.400 -0.013 0.000 2.339 194 K HA 0.571 4.933 4.320 0.069 0.000 0.286 194 K C 0.486 177.038 176.600 -0.079 0.000 1.050 194 K CA 0.440 56.700 56.287 -0.045 0.000 0.956 194 K CB 0.229 32.707 32.500 -0.037 0.000 0.990 194 K HN 1.863 nan 8.250 nan 0.000 0.475 195 G N 1.713 110.441 108.800 -0.120 0.000 2.498 195 G HA2 0.270 4.272 3.960 0.069 0.000 0.301 195 G HA3 0.270 4.272 3.960 0.069 0.000 0.301 195 G C -1.383 173.370 174.900 -0.246 0.000 1.577 195 G CA -0.566 44.435 45.100 -0.165 0.000 0.868 195 G HN 0.661 nan 8.290 nan 0.000 0.599 196 S N 0.539 116.067 115.700 -0.288 0.000 2.810 196 S HA 0.826 5.338 4.470 0.069 0.000 0.315 196 S C 0.036 174.359 174.600 -0.462 0.000 1.138 196 S CA -1.000 56.946 58.200 -0.425 0.000 0.889 196 S CB 1.137 64.158 63.200 -0.298 0.000 1.236 196 S HN 0.782 nan 8.310 nan 0.000 0.548 197 L N 1.423 122.290 121.223 -0.594 0.000 2.483 197 L HA 0.235 4.617 4.340 0.069 0.000 0.276 197 L C 0.748 177.387 176.870 -0.385 0.000 1.213 197 L CA -0.160 54.336 54.840 -0.572 0.000 0.843 197 L CB 0.140 41.720 42.059 -0.798 0.000 1.107 197 L HN 0.679 nan 8.230 nan 0.000 0.487 198 K N 1.396 121.480 120.400 -0.528 0.000 2.230 198 K HA 0.349 4.711 4.320 0.069 0.000 0.253 198 K C 0.806 177.217 176.600 -0.315 0.000 1.008 198 K CA 0.541 56.467 56.287 -0.603 0.000 0.910 198 K CB 0.421 32.186 32.500 -1.225 0.000 0.994 198 K HN 0.811 nan 8.250 nan 0.000 0.495 199 G N 0.718 109.438 108.800 -0.134 0.000 2.550 199 G HA2 -0.320 3.681 3.960 0.069 0.000 0.277 199 G HA3 -0.320 3.681 3.960 0.069 0.000 0.277 199 G C -0.901 174.060 174.900 0.101 0.000 1.190 199 G CA 0.492 45.660 45.100 0.112 0.000 0.971 199 G HN 0.744 nan 8.290 nan 0.000 0.559 200 Q N -0.958 118.883 119.800 0.069 0.000 2.418 200 Q HA 0.652 5.033 4.340 0.069 0.000 0.282 200 Q C -3.223 172.393 176.000 -0.641 0.000 1.044 200 Q CA -2.073 53.574 55.803 -0.260 0.000 0.813 200 Q CB 2.536 31.174 28.738 -0.167 0.000 1.428 200 Q HN 0.423 nan 8.270 nan 0.000 0.402 201 P HA -0.003 nan 4.420 nan 0.000 0.263 201 P C 0.577 177.786 177.300 -0.152 0.000 1.175 201 P CA 2.282 65.084 63.100 -0.498 0.000 0.761 201 P CB 0.321 31.969 31.700 -0.086 0.000 0.794 202 G N 1.241 110.051 108.800 0.017 0.000 2.194 202 G HA2 -0.180 3.821 3.960 0.069 0.000 0.236 202 G HA3 -0.180 3.821 3.960 0.069 0.000 0.236 202 G C 0.058 175.003 174.900 0.076 0.000 0.987 202 G CA 0.290 45.419 45.100 0.048 0.000 0.635 202 G HN 0.723 nan 8.290 nan 0.000 0.520 203 D N -0.354 120.120 120.400 0.122 0.000 2.487 203 D HA 0.509 5.190 4.640 0.069 0.000 0.262 203 D C 1.697 178.108 176.300 0.185 0.000 1.130 203 D CA -0.602 53.483 54.000 0.143 0.000 1.038 203 D CB 0.443 41.345 40.800 0.170 0.000 1.142 203 D HN 0.206 nan 8.370 nan 0.000 0.575 204 I N -0.500 120.093 120.570 0.038 0.000 2.264 204 I HA -0.305 3.906 4.170 0.069 0.000 0.248 204 I C 1.498 177.682 176.117 0.112 0.000 1.111 204 I CA 1.207 62.473 61.300 -0.056 0.000 1.382 204 I CB -0.070 37.698 38.000 -0.387 0.000 1.060 204 I HN 0.346 nan 8.210 nan 0.000 0.418 205 Y N -0.145 120.336 120.300 0.301 0.000 2.200 205 Y HA -0.262 4.329 4.550 0.069 0.000 0.290 205 Y C 2.500 178.552 175.900 0.252 0.000 1.137 205 Y CA 1.822 60.115 58.100 0.321 0.000 1.163 205 Y CB -0.702 37.868 38.460 0.184 0.000 0.988 205 Y HN 0.263 nan 8.280 nan 0.000 0.518 206 H N -1.001 118.328 119.070 0.430 0.000 2.428 206 H HA -0.089 4.508 4.556 0.069 0.000 0.296 206 H C 2.031 177.645 175.328 0.478 0.000 1.062 206 H CA 1.185 57.514 56.048 0.468 0.000 1.350 206 H CB -0.013 30.026 29.762 0.462 0.000 1.403 206 H HN 0.213 nan 8.280 nan 0.000 0.533 207 Q N -0.140 119.924 119.800 0.441 0.000 2.123 207 Q HA -0.068 4.314 4.340 0.069 0.000 0.199 207 Q C 2.117 178.313 176.000 0.327 0.000 0.966 207 Q CA 1.478 57.465 55.803 0.308 0.000 0.845 207 Q CB -0.287 28.572 28.738 0.202 0.000 0.907 207 Q HN 0.466 nan 8.270 nan 0.000 0.439 208 T N 0.623 115.411 114.554 0.390 0.000 2.746 208 T HA -0.159 4.232 4.350 0.069 0.000 0.267 208 T C 1.246 176.238 174.700 0.486 0.000 1.039 208 T CA 0.987 63.350 62.100 0.439 0.000 1.142 208 T CB -0.377 68.826 68.868 0.559 0.000 0.866 208 T HN 0.513 nan 8.240 nan 0.000 0.444 209 W N 1.702 123.159 121.300 0.262 0.000 2.381 209 W HA -0.101 4.600 4.660 0.069 0.000 0.301 209 W C 2.485 179.299 176.519 0.492 0.000 1.205 209 W CA 0.849 58.339 57.345 0.241 0.000 1.285 209 W CB -0.213 29.273 29.460 0.043 0.000 1.133 209 W HN 0.289 nan 8.180 nan 0.000 0.521 210 A N 0.987 124.039 122.820 0.388 0.000 1.933 210 A HA -0.179 4.182 4.320 0.069 0.000 0.218 210 A C 1.943 179.598 177.584 0.118 0.000 1.175 210 A CA 1.909 54.008 52.037 0.103 0.000 0.628 210 A CB -1.037 17.949 19.000 -0.024 0.000 0.814 210 A HN 0.217 nan 8.150 nan 0.000 0.444 211 R N -2.156 118.457 120.500 0.188 0.000 2.096 211 R HA -0.137 4.244 4.340 0.069 0.000 0.235 211 R C 2.072 178.469 176.300 0.161 0.000 1.127 211 R CA 1.332 57.526 56.100 0.156 0.000 0.968 211 R CB -1.617 28.789 30.300 0.176 0.000 0.861 211 R HN 0.874 nan 8.270 nan 0.000 0.440 212 Y N 0.042 120.398 120.300 0.094 0.000 2.207 212 Y HA -0.263 4.328 4.550 0.069 0.000 0.287 212 Y C 1.805 177.681 175.900 -0.040 0.000 1.156 212 Y CA 1.801 59.933 58.100 0.053 0.000 1.182 212 Y CB -0.273 38.280 38.460 0.154 0.000 0.979 212 Y HN 0.141 nan 8.280 nan 0.000 0.521 213 F N -1.067 118.857 119.950 -0.043 0.000 2.113 213 F HA -0.227 4.341 4.527 0.069 0.000 0.297 213 F C 2.355 178.100 175.800 -0.092 0.000 1.103 213 F CA 1.571 59.511 58.000 -0.101 0.000 1.248 213 F CB -1.066 37.810 39.000 -0.208 0.000 0.999 213 F HN -0.152 nan 8.300 nan 0.000 0.475 214 V N 0.169 120.147 119.914 0.106 0.000 2.332 214 V HA -0.301 3.861 4.120 0.069 0.000 0.248 214 V C 2.469 178.502 176.094 -0.101 0.000 1.055 214 V CA 1.664 63.983 62.300 0.033 0.000 1.038 214 V CB -0.575 31.294 31.823 0.076 0.000 0.651 214 V HN 0.228 nan 8.190 nan 0.000 0.450 215 K N -0.515 119.712 120.400 -0.289 0.000 2.057 215 K HA -0.182 4.179 4.320 0.069 0.000 0.207 215 K C 2.073 178.293 176.600 -0.634 0.000 1.049 215 K CA 1.713 57.592 56.287 -0.680 0.000 0.931 215 K CB -0.725 30.887 32.500 -1.480 0.000 0.714 215 K HN 0.522 nan 8.250 nan 0.000 0.440 216 F N 2.070 121.691 119.950 -0.548 0.000 2.095 216 F HA -0.201 4.368 4.527 0.069 0.000 0.298 216 F C 2.002 177.705 175.800 -0.162 0.000 1.104 216 F CA 1.389 59.276 58.000 -0.188 0.000 1.232 216 F CB -0.359 38.530 39.000 -0.185 0.000 0.987 216 F HN -0.119 nan 8.300 nan 0.000 0.475 217 L N -0.093 120.918 121.223 -0.352 0.000 2.093 217 L HA -0.193 4.188 4.340 0.069 0.000 0.208 217 L C 2.201 178.865 176.870 -0.344 0.000 1.085 217 L CA 1.248 55.752 54.840 -0.561 0.000 0.755 217 L CB -0.907 40.614 42.059 -0.896 0.000 0.904 217 L HN 0.082 nan 8.230 nan 0.000 0.435 218 D N 0.474 120.800 120.400 -0.123 0.000 2.104 218 D HA -0.196 4.486 4.640 0.069 0.000 0.194 218 D C 2.248 178.569 176.300 0.036 0.000 0.994 218 D CA 1.687 55.740 54.000 0.090 0.000 0.830 218 D CB -0.099 40.730 40.800 0.049 0.000 0.959 218 D HN 0.321 nan 8.370 nan 0.000 0.452 219 A N -0.087 122.723 122.820 -0.015 0.000 1.902 219 A HA -0.202 4.159 4.320 0.069 0.000 0.217 219 A C 2.119 179.751 177.584 0.080 0.000 1.181 219 A CA 1.118 53.190 52.037 0.058 0.000 0.623 219 A CB -1.015 18.042 19.000 0.095 0.000 0.818 219 A HN 0.219 nan 8.150 nan 0.000 0.443 220 Y N -0.087 120.082 120.300 -0.218 0.000 2.242 220 Y HA -0.061 4.531 4.550 0.069 0.000 0.291 220 Y C 2.873 178.795 175.900 0.037 0.000 1.137 220 Y CA 0.711 58.742 58.100 -0.115 0.000 1.181 220 Y CB -0.517 37.842 38.460 -0.169 0.000 0.989 220 Y HN 0.332 nan 8.280 nan 0.000 0.527 221 A N -0.215 122.699 122.820 0.156 0.000 1.972 221 A HA -0.155 4.206 4.320 0.069 0.000 0.219 221 A C 2.093 179.728 177.584 0.085 0.000 1.169 221 A CA 1.727 53.847 52.037 0.139 0.000 0.635 221 A CB -0.665 18.452 19.000 0.196 0.000 0.810 221 A HN 0.360 nan 8.150 nan 0.000 0.446 222 E N -0.881 119.358 120.200 0.065 0.000 2.265 222 E HA -0.150 4.241 4.350 0.069 0.000 0.196 222 E C 1.004 177.504 176.600 -0.167 0.000 0.996 222 E CA 1.387 57.762 56.400 -0.041 0.000 0.832 222 E CB -0.538 29.130 29.700 -0.054 0.000 0.756 222 E HN 0.925 nan 8.360 nan 0.000 0.491 223 H N -0.004 119.036 119.070 -0.051 0.000 2.505 223 H HA 0.290 4.887 4.556 0.069 0.000 0.289 223 H C 0.361 175.746 175.328 0.094 0.000 1.052 223 H CA -0.147 55.883 56.048 -0.030 0.000 1.156 223 H CB 0.276 29.954 29.762 -0.140 0.000 1.507 223 H HN -0.072 nan 8.280 nan 0.000 0.548 224 K N 0.101 120.581 120.400 0.133 0.000 3.129 224 K HA -0.164 4.197 4.320 0.069 0.000 0.273 224 K C -0.909 175.772 176.600 0.135 0.000 1.123 224 K CA 0.377 56.747 56.287 0.138 0.000 0.800 224 K CB -2.030 30.551 32.500 0.135 0.000 1.238 224 K HN 0.408 nan 8.250 nan 0.000 0.492 225 L N 1.444 122.711 121.223 0.073 0.000 2.341 225 L HA 0.323 4.704 4.340 0.069 0.000 0.278 225 L C 0.423 177.297 176.870 0.008 0.000 1.005 225 L CA -0.753 54.065 54.840 -0.038 0.000 0.818 225 L CB 1.760 43.771 42.059 -0.080 0.000 1.259 225 L HN -0.036 nan 8.230 nan 0.000 0.418 226 Q N 2.647 122.402 119.800 -0.075 0.000 2.345 226 Q HA 0.545 4.926 4.340 0.069 0.000 0.268 226 Q C -1.254 174.654 176.000 -0.154 0.000 1.054 226 Q CA -0.645 55.161 55.803 0.006 0.000 0.835 226 Q CB 2.835 31.603 28.738 0.050 0.000 1.339 226 Q HN 0.309 nan 8.270 nan 0.000 0.447 227 F N 0.412 120.385 119.950 0.038 0.000 2.421 227 F HA 0.186 4.754 4.527 0.069 0.000 0.337 227 F C 0.972 176.824 175.800 0.087 0.000 1.105 227 F CA -0.755 57.281 58.000 0.060 0.000 1.049 227 F CB 0.916 39.929 39.000 0.022 0.000 1.139 227 F HN 0.736 nan 8.300 nan 0.000 0.479 228 W N 3.820 125.160 121.300 0.068 0.000 2.379 228 W HA 0.332 5.033 4.660 0.069 0.000 0.307 228 W C -0.128 176.394 176.519 0.006 0.000 1.200 228 W CA 1.194 58.539 57.345 0.001 0.000 1.297 228 W CB -0.082 29.347 29.460 -0.051 0.000 1.140 228 W HN 0.440 nan 8.180 nan 0.000 0.507 229 A N 0.033 122.660 122.820 -0.322 0.000 2.606 229 A HA 0.602 4.964 4.320 0.069 0.000 0.293 229 A C -1.272 176.158 177.584 -0.257 0.000 1.082 229 A CA -0.224 51.411 52.037 -0.669 0.000 0.685 229 A CB 0.975 19.004 19.000 -1.618 0.000 1.284 229 A HN 0.570 nan 8.150 nan 0.000 0.408 230 V N -1.243 118.523 119.914 -0.247 0.000 2.914 230 V HA 0.949 5.111 4.120 0.069 0.000 0.314 230 V C -0.012 176.011 176.094 -0.118 0.000 1.084 230 V CA 0.040 62.265 62.300 -0.124 0.000 0.963 230 V CB 1.339 33.152 31.823 -0.016 0.000 1.025 230 V HN 1.631 nan 8.190 nan 0.000 0.432 231 T N 0.120 114.646 114.554 -0.047 0.000 2.944 231 T HA 0.748 5.139 4.350 0.069 0.000 0.284 231 T C 0.977 175.703 174.700 0.044 0.000 1.010 231 T CA -0.073 62.000 62.100 -0.045 0.000 1.025 231 T CB 1.731 70.562 68.868 -0.061 0.000 1.079 231 T HN 1.579 nan 8.240 nan 0.000 0.516 232 A N 0.316 123.121 122.820 -0.025 0.000 2.123 232 A HA 0.421 4.783 4.320 0.069 0.000 0.214 232 A C 0.730 178.363 177.584 0.082 0.000 1.152 232 A CA 0.731 52.762 52.037 -0.009 0.000 0.728 232 A CB -0.649 18.278 19.000 -0.121 0.000 0.814 232 A HN 0.949 nan 8.150 nan 0.000 0.464 233 E N -1.433 118.761 120.200 -0.010 0.000 2.745 233 E HA 0.150 4.541 4.350 0.069 0.000 0.306 233 E C -1.426 175.048 176.600 -0.210 0.000 1.090 233 E CA -0.431 55.949 56.400 -0.033 0.000 0.893 233 E CB -0.066 29.585 29.700 -0.082 0.000 1.205 233 E HN 0.150 nan 8.360 nan 0.000 0.438 234 N N 2.855 121.331 118.700 -0.373 0.000 2.468 234 N HA 0.115 4.897 4.740 0.069 0.000 0.265 234 N C -0.757 174.445 175.510 -0.513 0.000 1.199 234 N CA 0.655 53.315 53.050 -0.650 0.000 0.928 234 N CB 0.382 37.941 38.487 -1.547 0.000 1.059 234 N HN 0.575 nan 8.380 nan 0.000 0.467 235 E N 1.870 121.775 120.200 -0.492 0.000 2.202 235 E HA -0.197 4.194 4.350 0.069 0.000 0.169 235 E C -1.627 174.787 176.600 -0.310 0.000 1.536 235 E CA 0.046 56.194 56.400 -0.420 0.000 0.664 235 E CB -0.444 29.065 29.700 -0.319 0.000 1.064 235 E HN 0.682 nan 8.360 nan 0.000 0.327 236 P HA -0.246 nan 4.420 nan 0.000 0.219 236 P C 1.392 178.693 177.300 0.001 0.000 1.146 236 P CA 1.793 64.901 63.100 0.014 0.000 0.808 236 P CB 0.075 31.884 31.700 0.181 0.000 0.779 237 S N -0.369 115.263 115.700 -0.113 0.000 2.453 237 S HA 0.034 4.546 4.470 0.069 0.000 0.231 237 S C 2.180 176.671 174.600 -0.182 0.000 1.005 237 S CA 0.767 58.932 58.200 -0.060 0.000 0.949 237 S CB -1.130 62.014 63.200 -0.094 0.000 0.774 237 S HN 0.132 nan 8.310 nan 0.000 0.510 238 A N 1.949 124.554 122.820 -0.358 0.000 1.933 238 A HA 0.212 4.573 4.320 0.069 0.000 0.218 238 A C 2.275 179.486 177.584 -0.623 0.000 1.175 238 A CA 1.365 52.944 52.037 -0.763 0.000 0.628 238 A CB -1.567 16.725 19.000 -1.180 0.000 0.814 238 A HN 0.671 nan 8.150 nan 0.000 0.444 239 G N -0.750 107.839 108.800 -0.352 0.000 2.848 239 G HA2 0.171 4.172 3.960 0.069 0.000 0.208 239 G HA3 0.171 4.172 3.960 0.069 0.000 0.208 239 G C 1.103 175.919 174.900 -0.140 0.000 1.152 239 G CA 0.404 45.378 45.100 -0.209 0.000 0.789 239 G HN 0.454 nan 8.290 nan 0.000 0.531 240 L N -0.462 120.691 121.223 -0.117 0.000 2.591 240 L HA 0.333 4.714 4.340 0.069 0.000 0.228 240 L C 0.377 177.222 176.870 -0.042 0.000 1.133 240 L CA -0.208 54.598 54.840 -0.058 0.000 0.880 240 L CB 0.092 42.145 42.059 -0.010 0.000 1.033 240 L HN 0.123 nan 8.230 nan 0.000 0.450 241 L N -0.150 121.045 121.223 -0.048 0.000 2.305 241 L HA 0.341 4.722 4.340 0.069 0.000 0.284 241 L C 0.475 177.363 176.870 0.029 0.000 1.013 241 L CA -0.258 54.584 54.840 0.004 0.000 0.819 241 L CB 1.658 43.739 42.059 0.036 0.000 1.227 241 L HN -0.116 nan 8.230 nan 0.000 0.417 242 S N 4.214 119.921 115.700 0.011 0.000 2.575 242 S HA 0.356 4.867 4.470 0.069 0.000 0.295 242 S C 1.324 175.924 174.600 -0.000 0.000 1.267 242 S CA 0.752 58.951 58.200 -0.001 0.000 1.074 242 S CB -0.345 62.849 63.200 -0.011 0.000 0.829 242 S HN 1.803 nan 8.310 nan 0.000 0.497 243 G N 3.436 112.229 108.800 -0.012 0.000 2.162 243 G HA2 -0.325 3.676 3.960 0.069 0.000 0.260 243 G HA3 -0.325 3.676 3.960 0.069 0.000 0.260 243 G C 0.041 174.892 174.900 -0.082 0.000 0.976 243 G CA 0.383 45.453 45.100 -0.050 0.000 0.655 243 G HN 1.123 nan 8.290 nan 0.000 0.533 244 Y N 2.331 122.544 120.300 -0.146 0.000 2.865 244 Y HA 0.228 4.820 4.550 0.069 0.000 0.338 244 Y C -0.200 175.527 175.900 -0.289 0.000 1.269 244 Y CA -0.196 57.778 58.100 -0.211 0.000 1.585 244 Y CB 0.917 39.293 38.460 -0.141 0.000 1.224 244 Y HN 0.114 nan 8.280 nan 0.000 0.554 245 P HA -0.050 nan 4.420 nan 0.000 0.227 245 P C -0.571 176.305 177.300 -0.706 0.000 1.161 245 P CA 0.966 63.516 63.100 -0.917 0.000 0.788 245 P CB 0.174 31.152 31.700 -1.203 0.000 0.822 246 F N -0.370 119.356 119.950 -0.373 0.000 2.450 246 F HA 0.435 5.003 4.527 0.069 0.000 0.328 246 F C 0.942 176.919 175.800 0.295 0.000 1.068 246 F CA -1.750 56.230 58.000 -0.034 0.000 1.007 246 F CB 0.291 39.302 39.000 0.018 0.000 1.251 246 F HN -0.391 nan 8.300 nan 0.000 0.492 247 Q N 1.171 121.318 119.800 0.579 0.000 2.283 247 Q HA 0.251 4.632 4.340 0.069 0.000 0.301 247 Q C -0.446 175.826 176.000 0.454 0.000 1.063 247 Q CA 0.346 56.411 55.803 0.436 0.000 0.952 247 Q CB 0.351 29.296 28.738 0.345 0.000 1.166 247 Q HN 0.731 nan 8.270 nan 0.000 0.381 248 C N 0.360 119.797 119.300 0.227 0.000 3.295 248 C HA 0.878 5.380 4.460 0.069 0.000 0.341 248 C C -1.783 173.165 174.990 -0.071 0.000 1.418 248 C CA -1.227 57.840 59.018 0.080 0.000 1.240 248 C CB 0.790 28.549 27.740 0.032 0.000 1.562 248 C HN 0.793 nan 8.230 nan 0.000 0.457 249 L N 1.588 122.730 121.223 -0.135 0.000 2.661 249 L HA 0.695 5.076 4.340 0.069 0.000 0.263 249 L C 0.056 176.776 176.870 -0.251 0.000 0.956 249 L CA 0.451 55.137 54.840 -0.257 0.000 0.918 249 L CB 1.218 43.101 42.059 -0.292 0.000 1.280 249 L HN 1.421 nan 8.230 nan 0.000 0.416 250 G N 3.396 111.987 108.800 -0.349 0.000 2.370 250 G HA2 0.526 4.527 3.960 0.069 0.000 0.272 250 G HA3 0.526 4.527 3.960 0.069 0.000 0.272 250 G C -1.211 173.441 174.900 -0.414 0.000 1.208 250 G CA -0.054 44.904 45.100 -0.237 0.000 0.856 250 G HN 0.368 nan 8.290 nan 0.000 0.500 251 F N 0.567 120.470 119.950 -0.078 0.000 2.561 251 F HA 0.373 4.942 4.527 0.069 0.000 0.313 251 F C 0.944 176.813 175.800 0.115 0.000 1.126 251 F CA -0.826 57.135 58.000 -0.065 0.000 0.918 251 F CB 2.174 41.103 39.000 -0.118 0.000 1.199 251 F HN 0.635 nan 8.300 nan 0.000 0.444 252 T N -0.054 114.636 114.554 0.227 0.000 2.802 252 T HA 0.166 4.558 4.350 0.069 0.000 0.305 252 T C -1.759 172.740 174.700 -0.335 0.000 1.053 252 T CA -1.362 60.764 62.100 0.044 0.000 1.058 252 T CB 1.006 69.884 68.868 0.016 0.000 0.988 252 T HN 0.382 nan 8.240 nan 0.000 0.539 253 P HA -0.064 nan 4.420 nan 0.000 0.220 253 P C 0.957 177.915 177.300 -0.569 0.000 1.148 253 P CA 1.099 63.328 63.100 -1.452 0.000 0.803 253 P CB 0.130 30.781 31.700 -1.748 0.000 0.782 254 E N -1.330 118.688 120.200 -0.303 0.000 2.107 254 E HA -0.152 4.239 4.350 0.069 0.000 0.191 254 E C 2.201 178.809 176.600 0.013 0.000 0.982 254 E CA 0.826 57.146 56.400 -0.134 0.000 0.809 254 E CB -1.059 28.586 29.700 -0.092 0.000 0.756 254 E HN 0.492 nan 8.360 nan 0.000 0.459 255 H N 0.078 119.127 119.070 -0.036 0.000 2.321 255 H HA -0.131 4.466 4.556 0.069 0.000 0.300 255 H C 2.227 177.704 175.328 0.249 0.000 1.087 255 H CA 1.480 57.602 56.048 0.123 0.000 1.319 255 H CB 0.302 30.164 29.762 0.167 0.000 1.379 255 H HN 0.134 nan 8.280 nan 0.000 0.501 256 Q N 0.711 120.649 119.800 0.229 0.000 2.050 256 Q HA -0.201 4.180 4.340 0.069 0.000 0.202 256 Q C 2.565 178.603 176.000 0.064 0.000 0.980 256 Q CA 1.442 57.285 55.803 0.066 0.000 0.840 256 Q CB -0.071 28.638 28.738 -0.048 0.000 0.898 256 Q HN 0.355 nan 8.270 nan 0.000 0.424 257 R N 0.076 120.562 120.500 -0.024 0.000 2.112 257 R HA -0.223 4.158 4.340 0.069 0.000 0.242 257 R C 1.368 177.684 176.300 0.026 0.000 1.137 257 R CA 2.266 58.344 56.100 -0.036 0.000 0.944 257 R CB -0.276 29.972 30.300 -0.087 0.000 0.857 257 R HN 0.396 nan 8.270 nan 0.000 0.435 258 D N -0.507 119.945 120.400 0.087 0.000 2.149 258 D HA -0.129 4.552 4.640 0.069 0.000 0.201 258 D C 1.578 177.977 176.300 0.164 0.000 0.972 258 D CA 0.764 54.820 54.000 0.093 0.000 0.835 258 D CB -0.367 40.474 40.800 0.068 0.000 0.966 258 D HN 0.203 nan 8.370 nan 0.000 0.476 259 F N 1.667 121.699 119.950 0.136 0.000 2.095 259 F HA -0.137 4.431 4.527 0.069 0.000 0.298 259 F C 2.075 177.871 175.800 -0.007 0.000 1.104 259 F CA 1.054 59.150 58.000 0.160 0.000 1.232 259 F CB -0.440 38.751 39.000 0.319 0.000 0.987 259 F HN -0.142 nan 8.300 nan 0.000 0.475 260 I N 0.144 120.573 120.570 -0.234 0.000 2.179 260 I HA -0.302 3.910 4.170 0.069 0.000 0.242 260 I C 2.700 178.622 176.117 -0.324 0.000 1.088 260 I CA 1.298 62.354 61.300 -0.406 0.000 1.357 260 I CB -0.926 36.948 38.000 -0.210 0.000 1.051 260 I HN 0.235 nan 8.210 nan 0.000 0.409 261 A N 0.773 123.526 122.820 -0.113 0.000 1.877 261 A HA -0.187 4.174 4.320 0.069 0.000 0.216 261 A C 2.369 179.913 177.584 -0.065 0.000 1.186 261 A CA 1.659 53.694 52.037 -0.003 0.000 0.620 261 A CB -0.454 18.566 19.000 0.033 0.000 0.822 261 A HN 0.356 nan 8.150 nan 0.000 0.443 262 R N -1.461 118.987 120.500 -0.086 0.000 2.189 262 R HA 0.101 4.482 4.340 0.069 0.000 0.203 262 R C 0.764 176.999 176.300 -0.109 0.000 1.012 262 R CA 1.077 57.142 56.100 -0.058 0.000 1.015 262 R CB 0.109 30.409 30.300 -0.000 0.000 0.938 262 R HN 0.507 nan 8.270 nan 0.000 0.472 263 D N -0.286 119.987 120.400 -0.211 0.000 3.203 263 D HA -0.024 4.658 4.640 0.069 0.000 0.249 263 D C 1.567 177.575 176.300 -0.487 0.000 1.522 263 D CA 0.015 53.886 54.000 -0.215 0.000 1.248 263 D CB -0.348 40.490 40.800 0.064 0.000 1.126 263 D HN -0.081 nan 8.370 nan 0.000 0.326 264 L N 2.007 122.673 121.223 -0.929 0.000 2.027 264 L HA 0.076 4.458 4.340 0.069 0.000 0.206 264 L C 2.142 178.553 176.870 -0.766 0.000 1.074 264 L CA 2.224 56.473 54.840 -0.986 0.000 0.745 264 L CB -0.989 40.209 42.059 -1.434 0.000 0.898 264 L HN 0.135 nan 8.230 nan 0.000 0.433 265 G N -0.388 107.875 108.800 -0.894 0.000 2.480 265 G HA2 -0.207 3.794 3.960 0.069 0.000 0.216 265 G HA3 -0.207 3.794 3.960 0.069 0.000 0.216 265 G C -0.598 173.588 174.900 -1.190 0.000 1.200 265 G CA 0.937 45.226 45.100 -1.352 0.000 0.782 265 G HN 0.361 nan 8.290 nan 0.000 0.554 266 P HA -0.049 nan 4.420 nan 0.000 0.215 266 P C 2.039 179.203 177.300 -0.226 0.000 1.153 266 P CA 1.791 64.663 63.100 -0.380 0.000 0.853 266 P CB -0.194 31.370 31.700 -0.227 0.000 0.788 267 T N -0.585 113.815 114.554 -0.257 0.000 2.737 267 T HA -0.056 4.335 4.350 0.069 0.000 0.265 267 T C 1.750 176.384 174.700 -0.111 0.000 1.038 267 T CA 1.009 63.020 62.100 -0.148 0.000 1.144 267 T CB -0.872 67.909 68.868 -0.145 0.000 0.866 267 T HN 0.034 nan 8.240 nan 0.000 0.434 268 L N 0.808 121.926 121.223 -0.175 0.000 2.017 268 L HA -0.076 4.305 4.340 0.069 0.000 0.208 268 L C 3.026 179.899 176.870 0.005 0.000 1.073 268 L CA 1.265 56.056 54.840 -0.082 0.000 0.745 268 L CB -0.641 41.332 42.059 -0.144 0.000 0.894 268 L HN 0.231 nan 8.230 nan 0.000 0.432 269 A N -0.134 122.680 122.820 -0.009 0.000 2.019 269 A HA -0.238 4.124 4.320 0.069 0.000 0.219 269 A C 1.851 179.469 177.584 0.056 0.000 1.164 269 A CA 2.001 54.092 52.037 0.089 0.000 0.644 269 A CB -0.654 18.445 19.000 0.165 0.000 0.805 269 A HN 0.471 nan 8.150 nan 0.000 0.449 270 N N -0.309 118.399 118.700 0.015 0.000 2.322 270 N HA 0.054 4.835 4.740 0.069 0.000 0.216 270 N C 0.144 175.663 175.510 0.016 0.000 1.144 270 N CA 0.629 53.679 53.050 0.001 0.000 0.830 270 N CB -0.047 38.434 38.487 -0.011 0.000 1.034 270 N HN 0.493 nan 8.380 nan 0.000 0.484 271 S N -2.614 113.118 115.700 0.054 0.000 2.715 271 S HA 0.269 4.781 4.470 0.069 0.000 0.307 271 S C 1.282 175.912 174.600 0.049 0.000 1.119 271 S CA -0.200 58.024 58.200 0.039 0.000 0.937 271 S CB 0.726 63.974 63.200 0.081 0.000 1.150 271 S HN 0.198 nan 8.310 nan 0.000 0.521 272 T N -1.558 112.917 114.554 -0.131 0.000 3.025 272 T HA -0.067 4.324 4.350 0.069 0.000 0.270 272 T C 0.687 175.189 174.700 -0.330 0.000 1.126 272 T CA 1.016 62.992 62.100 -0.205 0.000 1.105 272 T CB -0.776 67.876 68.868 -0.359 0.000 0.884 272 T HN 0.758 nan 8.240 nan 0.000 0.522 273 H N 1.136 120.210 119.070 0.007 0.000 2.507 273 H HA 0.147 4.744 4.556 0.069 0.000 0.294 273 H C 1.822 177.087 175.328 -0.105 0.000 1.064 273 H CA 0.263 56.271 56.048 -0.067 0.000 1.138 273 H CB -0.429 29.325 29.762 -0.014 0.000 1.515 273 H HN 0.737 nan 8.280 nan 0.000 0.547 274 H N -0.284 118.809 119.070 0.038 0.000 2.489 274 H HA -0.043 4.555 4.556 0.069 0.000 0.295 274 H C 0.605 175.941 175.328 0.014 0.000 1.082 274 H CA 0.644 56.704 56.048 0.020 0.000 1.295 274 H CB 0.102 29.866 29.762 0.004 0.000 1.380 274 H HN 0.147 nan 8.280 nan 0.000 0.548 275 N N 1.095 119.587 118.700 -0.346 0.000 2.412 275 N HA 0.029 4.810 4.740 0.069 0.000 0.184 275 N C 0.169 175.616 175.510 -0.106 0.000 1.101 275 N CA 0.074 53.022 53.050 -0.169 0.000 0.881 275 N CB 0.505 38.870 38.487 -0.204 0.000 0.969 275 N HN 0.094 nan 8.380 nan 0.000 0.459 276 V N 3.380 123.245 119.914 -0.081 0.000 2.529 276 V HA 0.000 4.162 4.120 0.069 0.000 0.292 276 V C 0.754 176.735 176.094 -0.188 0.000 1.028 276 V CA -0.197 62.045 62.300 -0.097 0.000 1.074 276 V CB 0.377 32.186 31.823 -0.025 0.000 0.958 276 V HN 0.094 nan 8.190 nan 0.000 0.481 277 R N 3.634 123.916 120.500 -0.362 0.000 2.539 277 R HA 0.400 4.781 4.340 0.069 0.000 0.275 277 R C -0.469 175.637 176.300 -0.324 0.000 1.077 277 R CA -0.774 55.072 56.100 -0.424 0.000 1.097 277 R CB 0.497 30.334 30.300 -0.772 0.000 1.018 277 R HN 0.509 nan 8.270 nan 0.000 0.483 278 L N 3.473 124.583 121.223 -0.189 0.000 2.296 278 L HA 0.415 4.796 4.340 0.069 0.000 0.286 278 L C -0.981 175.812 176.870 -0.128 0.000 1.023 278 L CA -0.214 54.526 54.840 -0.167 0.000 0.812 278 L CB 0.980 42.954 42.059 -0.142 0.000 1.223 278 L HN 0.435 nan 8.230 nan 0.000 0.421 279 L N 6.027 127.155 121.223 -0.159 0.000 2.317 279 L HA 0.576 4.958 4.340 0.069 0.000 0.281 279 L C 0.293 177.105 176.870 -0.095 0.000 1.024 279 L CA -0.681 54.090 54.840 -0.115 0.000 0.810 279 L CB 1.597 43.576 42.059 -0.133 0.000 1.240 279 L HN 0.757 nan 8.230 nan 0.000 0.427 280 M N 1.839 121.396 119.600 -0.072 0.000 2.513 280 M HA 0.545 5.066 4.480 0.069 0.000 0.291 280 M C 0.566 176.825 176.300 -0.068 0.000 1.190 280 M CA -0.373 54.894 55.300 -0.055 0.000 0.960 280 M CB 1.573 34.159 32.600 -0.023 0.000 1.517 280 M HN 0.505 nan 8.290 nan 0.000 0.499 281 L N 0.349 121.536 121.223 -0.060 0.000 3.982 281 L HA -0.352 4.029 4.340 0.069 0.000 0.053 281 L C 0.301 176.952 176.870 -0.365 0.000 4.145 281 L CA 3.040 57.726 54.840 -0.255 0.000 0.834 281 L CB -1.782 40.130 42.059 -0.245 0.000 3.418 281 L HN 1.186 nan 8.230 nan 0.000 0.928 282 D N 0.277 120.483 120.400 -0.322 0.000 2.699 282 D HA -0.087 4.595 4.640 0.069 0.000 0.239 282 D C -0.417 175.362 176.300 -0.868 0.000 1.136 282 D CA 1.399 55.144 54.000 -0.425 0.000 0.668 282 D CB -0.790 39.840 40.800 -0.284 0.000 1.060 282 D HN 0.731 nan 8.370 nan 0.000 0.429 283 D N -1.020 118.913 120.400 -0.778 0.000 2.768 283 D HA 0.177 4.859 4.640 0.069 0.000 0.327 283 D C -0.475 175.568 176.300 -0.429 0.000 1.302 283 D CA -0.418 53.155 54.000 -0.713 0.000 0.897 283 D CB 0.681 41.073 40.800 -0.679 0.000 1.420 283 D HN -0.109 nan 8.370 nan 0.000 0.494 284 Q N 0.642 120.277 119.800 -0.275 0.000 2.361 284 Q HA 0.119 4.500 4.340 0.069 0.000 0.276 284 Q C 1.025 176.932 176.000 -0.154 0.000 1.022 284 Q CA 0.239 55.969 55.803 -0.121 0.000 0.898 284 Q CB 0.431 29.135 28.738 -0.056 0.000 1.246 284 Q HN 0.520 nan 8.270 nan 0.000 0.410 285 R N 1.236 121.682 120.500 -0.089 0.000 2.280 285 R HA -0.096 4.286 4.340 0.069 0.000 0.207 285 R C 1.604 177.862 176.300 -0.069 0.000 1.043 285 R CA 0.900 56.953 56.100 -0.078 0.000 1.006 285 R CB -0.642 29.634 30.300 -0.041 0.000 0.885 285 R HN 0.480 nan 8.270 nan 0.000 0.467 286 L N -0.799 120.375 121.223 -0.082 0.000 2.349 286 L HA 0.004 4.385 4.340 0.069 0.000 0.220 286 L C 1.525 178.374 176.870 -0.035 0.000 1.130 286 L CA 1.453 56.251 54.840 -0.069 0.000 0.791 286 L CB -0.378 41.623 42.059 -0.096 0.000 0.918 286 L HN 0.140 nan 8.230 nan 0.000 0.444 287 L N -0.493 120.684 121.223 -0.077 0.000 2.599 287 L HA 0.198 4.579 4.340 0.069 0.000 0.230 287 L C 0.624 177.558 176.870 0.107 0.000 1.141 287 L CA -0.043 54.773 54.840 -0.040 0.000 0.877 287 L CB -0.107 41.696 42.059 -0.427 0.000 1.009 287 L HN 0.248 nan 8.230 nan 0.000 0.447 288 L N 0.608 121.868 121.223 0.062 0.000 2.334 288 L HA 0.297 4.679 4.340 0.069 0.000 0.275 288 L C -1.386 175.557 176.870 0.123 0.000 1.036 288 L CA -1.538 53.372 54.840 0.116 0.000 0.807 288 L CB 1.261 43.366 42.059 0.076 0.000 1.231 288 L HN -0.217 nan 8.230 nan 0.000 0.438 289 P HA -0.060 nan 4.420 nan 0.000 0.249 289 P C 0.946 178.387 177.300 0.236 0.000 1.229 289 P CA 0.591 63.811 63.100 0.200 0.000 0.788 289 P CB 0.129 31.946 31.700 0.194 0.000 1.072 290 H N -0.310 118.862 119.070 0.169 0.000 2.289 290 H HA -0.175 4.422 4.556 0.069 0.000 0.296 290 H C 1.461 176.902 175.328 0.188 0.000 1.091 290 H CA 2.246 58.394 56.048 0.167 0.000 1.274 290 H CB -0.822 29.038 29.762 0.163 0.000 1.364 290 H HN 0.017 nan 8.280 nan 0.000 0.490 291 W N 0.484 121.733 121.300 -0.085 0.000 2.363 291 W HA -0.048 4.654 4.660 0.069 0.000 0.296 291 W C 2.879 179.283 176.519 -0.192 0.000 1.212 291 W CA 1.969 59.218 57.345 -0.160 0.000 1.260 291 W CB -0.839 28.578 29.460 -0.072 0.000 1.131 291 W HN 0.387 nan 8.180 nan 0.000 0.530 292 A N -0.060 122.803 122.820 0.072 0.000 1.930 292 A HA -0.195 4.166 4.320 0.069 0.000 0.217 292 A C 1.945 179.351 177.584 -0.297 0.000 1.175 292 A CA 1.761 53.700 52.037 -0.163 0.000 0.627 292 A CB -0.557 18.387 19.000 -0.093 0.000 0.815 292 A HN 0.293 nan 8.150 nan 0.000 0.443 293 K N -0.496 119.883 120.400 -0.035 0.000 2.057 293 K HA -0.047 4.315 4.320 0.069 0.000 0.206 293 K C 1.878 178.407 176.600 -0.117 0.000 1.050 293 K CA 1.363 57.681 56.287 0.051 0.000 0.935 293 K CB -0.301 32.262 32.500 0.106 0.000 0.715 293 K HN 0.298 nan 8.250 nan 0.000 0.439 294 V N 0.826 120.581 119.914 -0.266 0.000 2.307 294 V HA -0.210 3.951 4.120 0.069 0.000 0.245 294 V C 2.213 178.174 176.094 -0.222 0.000 1.045 294 V CA 1.507 63.634 62.300 -0.289 0.000 1.024 294 V CB -0.241 31.299 31.823 -0.471 0.000 0.651 294 V HN 0.078 nan 8.190 nan 0.000 0.449 295 V N -0.422 119.352 119.914 -0.233 0.000 2.346 295 V HA -0.119 4.043 4.120 0.069 0.000 0.244 295 V C 2.086 178.065 176.094 -0.192 0.000 1.037 295 V CA 1.632 63.821 62.300 -0.185 0.000 1.029 295 V CB -0.411 31.324 31.823 -0.146 0.000 0.663 295 V HN 0.423 nan 8.190 nan 0.000 0.454 296 L N 0.619 121.661 121.223 -0.302 0.000 2.509 296 L HA -0.010 4.371 4.340 0.069 0.000 0.222 296 L C 2.385 179.156 176.870 -0.165 0.000 1.123 296 L CA 1.219 55.851 54.840 -0.347 0.000 0.856 296 L CB -0.657 40.919 42.059 -0.805 0.000 0.985 296 L HN 0.528 nan 8.230 nan 0.000 0.456 297 T N -4.725 109.780 114.554 -0.082 0.000 3.148 297 T HA -0.051 4.340 4.350 0.069 0.000 0.253 297 T C 0.672 175.363 174.700 -0.016 0.000 1.134 297 T CA -0.131 61.980 62.100 0.019 0.000 1.051 297 T CB -0.203 68.700 68.868 0.059 0.000 0.959 297 T HN 0.032 nan 8.240 nan 0.000 0.525 298 D N 2.812 123.183 120.400 -0.048 0.000 2.347 298 D HA 0.224 4.905 4.640 0.069 0.000 0.235 298 D C -1.548 174.727 176.300 -0.042 0.000 1.149 298 D CA -2.544 51.431 54.000 -0.041 0.000 0.850 298 D CB 2.069 42.841 40.800 -0.046 0.000 1.061 298 D HN 0.041 nan 8.370 nan 0.000 0.487 299 P HA -0.068 nan 4.420 nan 0.000 0.223 299 P C 0.882 178.141 177.300 -0.069 0.000 1.151 299 P CA 0.560 63.630 63.100 -0.050 0.000 0.787 299 P CB 0.655 32.330 31.700 -0.041 0.000 0.788 300 E N -0.226 119.951 120.200 -0.039 0.000 2.274 300 E HA -0.013 4.378 4.350 0.069 0.000 0.194 300 E C 1.935 178.568 176.600 0.055 0.000 0.996 300 E CA 0.898 57.292 56.400 -0.010 0.000 0.840 300 E CB -0.345 29.371 29.700 0.026 0.000 0.772 300 E HN 0.231 nan 8.360 nan 0.000 0.491 301 A N 0.911 123.746 122.820 0.026 0.000 1.911 301 A HA 0.189 4.550 4.320 0.069 0.000 0.212 301 A C 2.352 179.940 177.584 0.007 0.000 1.189 301 A CA 1.105 53.176 52.037 0.056 0.000 0.639 301 A CB -0.354 18.639 19.000 -0.012 0.000 0.839 301 A HN 0.217 nan 8.150 nan 0.000 0.449 302 A N 1.437 124.218 122.820 -0.064 0.000 1.978 302 A HA -0.198 4.163 4.320 0.069 0.000 0.220 302 A C 2.052 179.564 177.584 -0.121 0.000 1.170 302 A CA 1.930 53.910 52.037 -0.094 0.000 0.636 302 A CB -0.613 18.331 19.000 -0.093 0.000 0.810 302 A HN 0.692 nan 8.150 nan 0.000 0.448 303 K N -1.585 118.687 120.400 -0.214 0.000 2.280 303 K HA -0.152 4.209 4.320 0.069 0.000 0.202 303 K C 1.127 177.482 176.600 -0.409 0.000 1.047 303 K CA 1.686 57.761 56.287 -0.353 0.000 0.942 303 K CB -0.437 31.752 32.500 -0.519 0.000 0.739 303 K HN 0.607 nan 8.250 nan 0.000 0.457 304 Y N 0.998 121.254 120.300 -0.074 0.000 2.458 304 Y HA 0.189 4.781 4.550 0.069 0.000 0.254 304 Y C 0.506 176.355 175.900 -0.086 0.000 1.120 304 Y CA -0.731 57.316 58.100 -0.088 0.000 1.282 304 Y CB 0.999 39.381 38.460 -0.130 0.000 1.109 304 Y HN -0.220 nan 8.280 nan 0.000 0.526 305 V N 0.965 120.902 119.914 0.038 0.000 2.364 305 V HA 0.025 4.187 4.120 0.069 0.000 0.272 305 V C 0.668 176.770 176.094 0.013 0.000 1.036 305 V CA -0.240 62.059 62.300 -0.003 0.000 0.880 305 V CB 0.979 32.769 31.823 -0.055 0.000 0.991 305 V HN 0.323 nan 8.190 nan 0.000 0.460 306 H N 3.982 123.008 119.070 -0.074 0.000 2.431 306 H HA 0.410 5.007 4.556 0.069 0.000 0.295 306 H C 0.763 176.069 175.328 -0.037 0.000 1.038 306 H CA 1.053 57.066 56.048 -0.059 0.000 1.360 306 H CB 0.626 30.329 29.762 -0.097 0.000 1.433 306 H HN 0.749 nan 8.280 nan 0.000 0.536 307 G N -0.762 107.969 108.800 -0.114 0.000 2.600 307 G HA2 0.458 4.459 3.960 0.069 0.000 0.293 307 G HA3 0.458 4.459 3.960 0.069 0.000 0.293 307 G C -1.666 173.206 174.900 -0.047 0.000 1.408 307 G CA -0.681 44.346 45.100 -0.122 0.000 0.782 307 G HN 0.134 nan 8.290 nan 0.000 0.482 308 I N 0.952 121.525 120.570 0.004 0.000 2.447 308 I HA 0.580 4.792 4.170 0.069 0.000 0.287 308 I C 0.350 176.507 176.117 0.066 0.000 1.023 308 I CA -0.789 60.518 61.300 0.012 0.000 1.083 308 I CB 2.024 40.032 38.000 0.015 0.000 1.245 308 I HN 0.661 nan 8.210 nan 0.000 0.434 309 A N 6.563 129.404 122.820 0.036 0.000 2.306 309 A HA 0.852 5.213 4.320 0.069 0.000 0.314 309 A C -0.397 177.170 177.584 -0.029 0.000 1.164 309 A CA -0.484 51.609 52.037 0.093 0.000 0.822 309 A CB 1.121 20.188 19.000 0.112 0.000 1.130 309 A HN 0.601 nan 8.150 nan 0.000 0.496 310 V N 0.346 120.252 119.914 -0.013 0.000 2.823 310 V HA 0.658 4.819 4.120 0.069 0.000 0.312 310 V C -0.530 175.587 176.094 0.038 0.000 1.072 310 V CA -0.767 61.493 62.300 -0.067 0.000 0.937 310 V CB 1.220 33.009 31.823 -0.057 0.000 1.013 310 V HN 0.966 nan 8.190 nan 0.000 0.430 311 H N 2.404 121.372 119.070 -0.169 0.000 2.616 311 H HA 0.357 4.954 4.556 0.069 0.000 0.353 311 H C -0.411 174.848 175.328 -0.114 0.000 1.170 311 H CA -0.378 55.556 56.048 -0.191 0.000 1.212 311 H CB 2.229 31.976 29.762 -0.026 0.000 1.653 311 H HN 0.971 nan 8.280 nan 0.000 0.537 312 W N 2.265 123.283 121.300 -0.470 0.000 3.278 312 W HA 0.056 4.757 4.660 0.068 0.000 0.308 312 W C -0.154 176.229 176.519 -0.226 0.000 1.253 312 W CA -0.302 56.828 57.345 -0.358 0.000 1.759 312 W CB -1.074 28.157 29.460 -0.382 0.000 1.093 312 W HN 0.645 nan 8.180 nan 0.000 0.648 313 Y N 1.271 121.710 120.300 0.231 0.000 2.439 313 Y HA 0.052 4.644 4.550 0.070 0.000 0.292 313 Y C 1.871 177.800 175.900 0.048 0.000 1.130 313 Y CA 1.210 59.360 58.100 0.083 0.000 1.254 313 Y CB -0.155 38.420 38.460 0.191 0.000 1.000 313 Y HN -0.169 nan 8.280 nan 0.000 0.554 314 L N -0.070 121.260 121.223 0.178 0.000 3.141 314 L HA 0.148 4.530 4.340 0.069 0.000 0.267 314 L C 0.413 177.260 176.870 -0.037 0.000 1.281 314 L CA -0.160 54.757 54.840 0.129 0.000 1.037 314 L CB 0.184 42.271 42.059 0.046 0.000 1.407 314 L HN 0.064 nan 8.230 nan 0.000 0.566 315 D N 0.944 121.345 120.400 0.000 0.000 2.218 315 D HA -0.218 4.463 4.640 0.069 0.000 0.204 315 D C 1.983 178.265 176.300 -0.029 0.000 0.976 315 D CA 1.321 55.300 54.000 -0.035 0.000 0.853 315 D CB 0.018 40.799 40.800 -0.031 0.000 0.939 315 D HN 0.502 nan 8.370 nan 0.000 0.481 316 F N -0.025 119.891 119.950 -0.057 0.000 2.250 316 F HA -0.050 4.518 4.527 0.069 0.000 0.301 316 F C 1.706 177.499 175.800 -0.012 0.000 1.077 316 F CA 0.743 58.726 58.000 -0.029 0.000 1.348 316 F CB -0.656 38.332 39.000 -0.020 0.000 1.040 316 F HN -0.103 nan 8.300 nan 0.000 0.509 317 L N 0.386 121.064 121.223 -0.908 0.000 2.492 317 L HA 0.282 4.663 4.340 0.069 0.000 0.223 317 L C 0.895 177.592 176.870 -0.289 0.000 1.132 317 L CA 0.323 54.766 54.840 -0.662 0.000 0.850 317 L CB -0.281 41.342 42.059 -0.726 0.000 0.966 317 L HN 0.312 nan 8.230 nan 0.000 0.454 318 A N 0.636 123.332 122.820 -0.206 0.000 2.815 318 A HA 0.512 4.873 4.320 0.069 0.000 0.318 318 A C -2.550 174.972 177.584 -0.103 0.000 1.186 318 A CA -1.211 50.747 52.037 -0.130 0.000 0.754 318 A CB 0.032 18.962 19.000 -0.116 0.000 1.151 318 A HN -0.177 nan 8.150 nan 0.000 0.452 319 P HA 0.152 nan 4.420 nan 0.000 0.266 319 P C 1.095 178.282 177.300 -0.189 0.000 1.195 319 P CA 0.540 63.572 63.100 -0.113 0.000 0.768 319 P CB 1.115 32.764 31.700 -0.084 0.000 0.838 320 A N 4.123 126.753 122.820 -0.317 0.000 1.902 320 A HA -0.214 4.148 4.320 0.069 0.000 0.217 320 A C 2.194 179.401 177.584 -0.629 0.000 1.181 320 A CA 1.858 53.590 52.037 -0.508 0.000 0.623 320 A CB -1.017 17.532 19.000 -0.752 0.000 0.818 320 A HN 0.584 nan 8.150 nan 0.000 0.443 321 K N -0.257 119.720 120.400 -0.705 0.000 2.063 321 K HA -0.122 4.239 4.320 0.069 0.000 0.208 321 K C 1.915 178.480 176.600 -0.058 0.000 1.048 321 K CA 1.458 57.585 56.287 -0.268 0.000 0.928 321 K CB -0.316 32.152 32.500 -0.054 0.000 0.713 321 K HN 0.373 nan 8.250 nan 0.000 0.442 322 A N -0.090 122.687 122.820 -0.072 0.000 2.167 322 A HA -0.035 4.326 4.320 0.069 0.000 0.214 322 A C 1.792 179.380 177.584 0.006 0.000 1.151 322 A CA 1.528 53.558 52.037 -0.012 0.000 0.735 322 A CB -0.339 18.649 19.000 -0.019 0.000 0.802 322 A HN 0.639 nan 8.150 nan 0.000 0.467 323 T N -2.871 111.673 114.554 -0.016 0.000 3.391 323 T HA 0.202 4.593 4.350 0.069 0.000 0.233 323 T C 1.791 176.529 174.700 0.063 0.000 0.960 323 T CA 0.553 62.663 62.100 0.017 0.000 1.342 323 T CB -0.687 68.170 68.868 -0.018 0.000 1.124 323 T HN 0.100 nan 8.240 nan 0.000 0.396 324 L N 1.518 122.769 121.223 0.048 0.000 2.017 324 L HA 0.130 4.512 4.340 0.069 0.000 0.208 324 L C 3.153 180.180 176.870 0.261 0.000 1.073 324 L CA 1.714 56.640 54.840 0.142 0.000 0.745 324 L CB -1.178 40.961 42.059 0.133 0.000 0.894 324 L HN 0.574 nan 8.230 nan 0.000 0.432 325 G N -0.285 108.674 108.800 0.265 0.000 2.418 325 G HA2 -0.312 3.689 3.960 0.069 0.000 0.217 325 G HA3 -0.312 3.689 3.960 0.069 0.000 0.217 325 G C 1.497 176.553 174.900 0.261 0.000 1.158 325 G CA 0.942 46.286 45.100 0.407 0.000 0.771 325 G HN 0.352 nan 8.290 nan 0.000 0.545 326 E N 0.297 120.595 120.200 0.163 0.000 2.107 326 E HA -0.043 4.348 4.350 0.069 0.000 0.191 326 E C 2.551 179.213 176.600 0.103 0.000 0.982 326 E CA 1.539 58.004 56.400 0.108 0.000 0.809 326 E CB -0.465 29.283 29.700 0.080 0.000 0.756 326 E HN 0.310 nan 8.360 nan 0.000 0.459 327 T N -0.726 113.925 114.554 0.160 0.000 2.777 327 T HA -0.153 4.238 4.350 0.069 0.000 0.266 327 T C 1.478 176.291 174.700 0.187 0.000 1.040 327 T CA 1.492 63.723 62.100 0.217 0.000 1.141 327 T CB -0.550 68.452 68.868 0.224 0.000 0.868 327 T HN 0.401 nan 8.240 nan 0.000 0.444 328 H N 1.400 120.515 119.070 0.075 0.000 2.353 328 H HA 0.042 4.639 4.556 0.069 0.000 0.300 328 H C 2.482 177.752 175.328 -0.097 0.000 1.090 328 H CA 1.766 57.787 56.048 -0.046 0.000 1.327 328 H CB -0.094 29.500 29.762 -0.280 0.000 1.383 328 H HN 0.168 nan 8.280 nan 0.000 0.508 329 R N -0.054 120.375 120.500 -0.118 0.000 2.081 329 R HA -0.094 4.288 4.340 0.069 0.000 0.235 329 R C 2.145 178.282 176.300 -0.271 0.000 1.131 329 R CA 1.701 57.696 56.100 -0.176 0.000 0.960 329 R CB -0.184 30.096 30.300 -0.035 0.000 0.856 329 R HN 0.413 nan 8.270 nan 0.000 0.436 330 L N -0.801 120.235 121.223 -0.312 0.000 2.131 330 L HA 0.001 4.382 4.340 0.069 0.000 0.206 330 L C 0.487 176.792 176.870 -0.942 0.000 1.087 330 L CA 0.891 55.337 54.840 -0.657 0.000 0.767 330 L CB 0.131 41.704 42.059 -0.810 0.000 0.917 330 L HN 0.098 nan 8.230 nan 0.000 0.441 331 F N -0.713 119.172 119.950 -0.108 0.000 2.564 331 F HA 0.284 4.853 4.527 0.069 0.000 0.329 331 F C -1.632 174.079 175.800 -0.149 0.000 1.458 331 F CA -1.385 56.556 58.000 -0.099 0.000 1.117 331 F CB 0.402 39.372 39.000 -0.049 0.000 1.383 331 F HN -0.151 nan 8.300 nan 0.000 0.571 332 P HA -0.124 nan 4.420 nan 0.000 0.225 332 P C 0.539 177.807 177.300 -0.054 0.000 1.148 332 P CA 1.292 64.186 63.100 -0.343 0.000 0.779 332 P CB 0.368 31.794 31.700 -0.457 0.000 0.780 333 N N -0.670 118.029 118.700 -0.001 0.000 2.336 333 N HA 0.027 4.808 4.740 0.069 0.000 0.189 333 N C -0.010 175.503 175.510 0.004 0.000 1.113 333 N CA 0.565 53.626 53.050 0.019 0.000 0.858 333 N CB 0.113 38.609 38.487 0.015 0.000 0.970 333 N HN 0.101 nan 8.380 nan 0.000 0.471 334 T N 2.652 117.222 114.554 0.025 0.000 2.821 334 T HA 0.299 4.690 4.350 0.069 0.000 0.307 334 T C 0.493 175.192 174.700 -0.002 0.000 1.034 334 T CA -0.753 61.328 62.100 -0.032 0.000 0.953 334 T CB 0.671 69.528 68.868 -0.019 0.000 0.968 334 T HN 0.085 nan 8.240 nan 0.000 0.462 335 M N 3.236 122.792 119.600 -0.073 0.000 2.252 335 M HA 0.389 4.910 4.480 0.069 0.000 0.333 335 M C -0.797 175.560 176.300 0.094 0.000 1.111 335 M CA 0.211 55.532 55.300 0.035 0.000 1.140 335 M CB -0.285 32.328 32.600 0.021 0.000 1.538 335 M HN 0.324 nan 8.290 nan 0.000 0.448 336 L N 3.348 124.669 121.223 0.164 0.000 2.309 336 L HA 0.693 5.074 4.340 0.069 0.000 0.282 336 L C -1.011 176.004 176.870 0.242 0.000 1.036 336 L CA -0.296 54.649 54.840 0.176 0.000 0.806 336 L CB 1.088 43.249 42.059 0.171 0.000 1.220 336 L HN 0.830 nan 8.230 nan 0.000 0.429 337 F N 2.460 122.434 119.950 0.041 0.000 2.573 337 F HA 0.653 5.222 4.527 0.069 0.000 0.316 337 F C -0.417 175.370 175.800 -0.021 0.000 1.148 337 F CA -0.726 57.295 58.000 0.034 0.000 0.940 337 F CB 1.346 40.410 39.000 0.106 0.000 1.214 337 F HN 0.441 nan 8.300 nan 0.000 0.448 338 A N 3.658 126.095 122.820 -0.639 0.000 2.350 338 A HA 0.453 4.814 4.320 0.069 0.000 0.293 338 A C 0.570 177.597 177.584 -0.929 0.000 1.231 338 A CA 0.312 51.956 52.037 -0.655 0.000 0.883 338 A CB -0.062 18.539 19.000 -0.665 0.000 1.133 338 A HN 1.033 nan 8.150 nan 0.000 0.533 339 S N 1.212 116.648 115.700 -0.441 0.000 2.511 339 S HA 0.261 4.773 4.470 0.069 0.000 0.214 339 S C 0.285 174.655 174.600 -0.383 0.000 0.997 339 S CA 0.224 58.313 58.200 -0.185 0.000 0.908 339 S CB 0.144 63.474 63.200 0.217 0.000 0.803 339 S HN 0.790 nan 8.310 nan 0.000 0.504 340 E N -0.283 119.495 120.200 -0.703 0.000 2.388 340 E HA 0.599 4.991 4.350 0.069 0.000 0.289 340 E C -2.017 173.924 176.600 -1.098 0.000 0.944 340 E CA -0.456 55.406 56.400 -0.898 0.000 0.792 340 E CB 1.881 30.832 29.700 -1.250 0.000 1.239 340 E HN 0.359 nan 8.360 nan 0.000 0.412 341 A N 2.072 124.215 122.820 -1.128 0.000 2.566 341 A HA 0.798 5.159 4.320 0.069 0.000 0.297 341 A C -1.168 175.920 177.584 -0.826 0.000 1.059 341 A CA -0.409 50.635 52.037 -1.654 0.000 0.691 341 A CB 0.786 18.306 19.000 -2.467 0.000 1.282 341 A HN 0.930 nan 8.150 nan 0.000 0.401 342 C N 0.197 119.272 119.300 -0.375 0.000 3.307 342 C HA 0.881 5.383 4.460 0.069 0.000 0.333 342 C C -0.311 175.085 174.990 0.677 0.000 1.291 342 C CA -0.166 59.015 59.018 0.271 0.000 1.273 342 C CB 0.626 28.615 27.740 0.414 0.000 1.580 342 C HN 2.008 nan 8.230 nan 0.000 0.481 343 V N 0.140 120.421 119.914 0.611 0.000 2.973 343 V HA 0.965 5.127 4.120 0.069 0.000 0.314 343 V C 1.022 177.295 176.094 0.298 0.000 1.066 343 V CA 0.494 63.105 62.300 0.519 0.000 1.021 343 V CB 0.749 32.808 31.823 0.395 0.000 1.076 343 V HN 2.927 nan 8.190 nan 0.000 0.462 344 G N 1.510 110.412 108.800 0.170 0.000 2.175 344 G HA2 -0.240 3.762 3.960 0.069 0.000 0.244 344 G HA3 -0.240 3.762 3.960 0.069 0.000 0.244 344 G C 0.804 175.738 174.900 0.057 0.000 0.982 344 G CA 1.008 46.155 45.100 0.078 0.000 0.641 344 G HN 2.041 nan 8.290 nan 0.000 0.527 345 S N -0.657 115.094 115.700 0.084 0.000 2.556 345 S HA 0.389 4.900 4.470 0.069 0.000 0.216 345 S C 0.861 175.387 174.600 -0.124 0.000 0.970 345 S CA 0.176 58.404 58.200 0.047 0.000 0.912 345 S CB 0.396 63.671 63.200 0.125 0.000 0.790 345 S HN 0.353 nan 8.310 nan 0.000 0.504 346 K N 1.804 121.977 120.400 -0.379 0.000 2.144 346 K HA 0.249 4.611 4.320 0.069 0.000 0.270 346 K C 0.859 177.017 176.600 -0.737 0.000 1.005 346 K CA -0.528 55.266 56.287 -0.822 0.000 0.932 346 K CB 0.480 31.905 32.500 -1.791 0.000 1.021 346 K HN 0.343 nan 8.250 nan 0.000 0.462 347 F N 0.001 119.707 119.950 -0.406 0.000 2.307 347 F HA -0.140 4.429 4.527 0.069 0.000 0.301 347 F C 1.467 177.275 175.800 0.013 0.000 1.076 347 F CA 0.493 58.439 58.000 -0.091 0.000 1.383 347 F CB -0.660 38.371 39.000 0.053 0.000 1.055 347 F HN 0.676 nan 8.300 nan 0.000 0.526 348 W N 1.240 122.329 121.300 -0.352 0.000 3.290 348 W HA 0.418 5.119 4.660 0.068 0.000 0.287 348 W C -0.226 176.254 176.519 -0.064 0.000 1.288 348 W CA -0.734 56.512 57.345 -0.164 0.000 1.725 348 W CB -0.909 28.354 29.460 -0.327 0.000 1.103 348 W HN -0.072 nan 8.180 nan 0.000 0.670 349 E N 1.864 121.891 120.200 -0.288 0.000 2.231 349 E HA 0.095 4.486 4.350 0.069 0.000 0.277 349 E C -0.484 176.100 176.600 -0.027 0.000 0.999 349 E CA -0.945 55.364 56.400 -0.152 0.000 0.827 349 E CB 1.248 30.779 29.700 -0.282 0.000 1.101 349 E HN 0.045 nan 8.360 nan 0.000 0.393 350 Q N 1.687 121.498 119.800 0.018 0.000 2.274 350 Q HA -0.007 4.374 4.340 0.069 0.000 0.280 350 Q C 0.269 176.276 176.000 0.010 0.000 1.047 350 Q CA 0.080 55.898 55.803 0.026 0.000 0.907 350 Q CB 0.692 29.436 28.738 0.009 0.000 1.171 350 Q HN 0.558 nan 8.270 nan 0.000 0.381 351 S N 2.374 118.105 115.700 0.051 0.000 2.351 351 S HA -0.070 4.442 4.470 0.069 0.000 0.220 351 S C 0.283 174.903 174.600 0.033 0.000 1.035 351 S CA 0.828 59.078 58.200 0.085 0.000 1.031 351 S CB 0.314 63.616 63.200 0.170 0.000 0.928 351 S HN 0.539 nan 8.310 nan 0.000 0.433 352 V N 1.916 121.818 119.914 -0.020 0.000 2.448 352 V HA 0.448 4.609 4.120 0.069 0.000 0.295 352 V C -0.350 175.627 176.094 -0.195 0.000 1.025 352 V CA -0.597 61.656 62.300 -0.078 0.000 0.859 352 V CB 1.551 33.332 31.823 -0.070 0.000 0.988 352 V HN 0.194 nan 8.190 nan 0.000 0.431 353 R N 4.575 124.895 120.500 -0.299 0.000 2.363 353 R HA 0.477 4.859 4.340 0.069 0.000 0.297 353 R C -0.916 175.103 176.300 -0.469 0.000 1.208 353 R CA -0.570 55.116 56.100 -0.691 0.000 1.121 353 R CB 1.123 30.954 30.300 -0.782 0.000 1.124 353 R HN 0.626 nan 8.270 nan 0.000 0.561 354 L N 2.232 123.288 121.223 -0.279 0.000 2.654 354 L HA 0.033 4.414 4.340 0.069 0.000 0.271 354 L C 1.297 178.249 176.870 0.137 0.000 1.169 354 L CA 0.964 55.724 54.840 -0.133 0.000 0.947 354 L CB 0.485 42.234 42.059 -0.516 0.000 1.232 354 L HN 0.999 nan 8.230 nan 0.000 0.486 355 G N 1.960 110.838 108.800 0.130 0.000 2.159 355 G HA2 -0.274 3.728 3.960 0.069 0.000 0.227 355 G HA3 -0.274 3.728 3.960 0.069 0.000 0.227 355 G C 0.398 175.444 174.900 0.243 0.000 0.986 355 G CA 0.124 45.368 45.100 0.240 0.000 0.651 355 G HN 0.642 nan 8.290 nan 0.000 0.523 356 S N 0.068 115.843 115.700 0.125 0.000 2.506 356 S HA 0.187 4.698 4.470 0.069 0.000 0.291 356 S C 1.270 175.961 174.600 0.151 0.000 1.230 356 S CA 0.535 58.797 58.200 0.103 0.000 1.107 356 S CB -0.172 63.002 63.200 -0.044 0.000 0.942 356 S HN 0.434 nan 8.310 nan 0.000 0.502 357 W N 4.382 125.693 121.300 0.017 0.000 2.436 357 W HA -0.127 4.573 4.660 0.068 0.000 0.284 357 W C 1.397 177.868 176.519 -0.080 0.000 1.225 357 W CA 1.484 58.829 57.345 -0.001 0.000 1.271 357 W CB -0.288 29.176 29.460 0.007 0.000 1.114 357 W HN 0.899 nan 8.180 nan 0.000 0.559 358 D N -0.090 120.312 120.400 0.003 0.000 2.144 358 D HA -0.189 4.493 4.640 0.069 0.000 0.199 358 D C 2.227 178.437 176.300 -0.150 0.000 0.984 358 D CA 1.638 55.588 54.000 -0.083 0.000 0.834 358 D CB -0.014 40.776 40.800 -0.018 0.000 0.955 358 D HN 0.025 nan 8.370 nan 0.000 0.465 359 R N -0.409 120.008 120.500 -0.138 0.000 2.090 359 R HA 0.052 4.433 4.340 0.069 0.000 0.228 359 R C 2.483 178.608 176.300 -0.292 0.000 1.110 359 R CA 1.018 57.043 56.100 -0.125 0.000 0.973 359 R CB -0.428 29.809 30.300 -0.105 0.000 0.869 359 R HN 0.206 nan 8.270 nan 0.000 0.440 360 G N 1.372 109.871 108.800 -0.502 0.000 2.491 360 G HA2 -0.302 3.699 3.960 0.069 0.000 0.218 360 G HA3 -0.302 3.699 3.960 0.069 0.000 0.218 360 G C 1.441 175.678 174.900 -1.105 0.000 1.180 360 G CA 0.984 45.541 45.100 -0.905 0.000 0.774 360 G HN 0.169 nan 8.290 nan 0.000 0.562 361 M N 0.087 119.074 119.600 -1.022 0.000 2.202 361 M HA -0.133 4.389 4.480 0.069 0.000 0.262 361 M C 2.756 179.026 176.300 -0.049 0.000 1.063 361 M CA 1.379 56.419 55.300 -0.433 0.000 1.097 361 M CB -0.417 32.050 32.600 -0.222 0.000 1.382 361 M HN 0.323 nan 8.290 nan 0.000 0.413 362 Q N -0.528 119.284 119.800 0.021 0.000 2.084 362 Q HA -0.192 4.189 4.340 0.069 0.000 0.202 362 Q C 1.969 178.263 176.000 0.490 0.000 0.978 362 Q CA 1.532 57.500 55.803 0.276 0.000 0.844 362 Q CB -0.255 28.692 28.738 0.349 0.000 0.898 362 Q HN 0.481 nan 8.270 nan 0.000 0.426 363 Y N 0.969 121.334 120.300 0.108 0.000 2.097 363 Y HA -0.245 4.346 4.550 0.069 0.000 0.282 363 Y C 2.893 178.633 175.900 -0.266 0.000 1.152 363 Y CA 1.465 59.507 58.100 -0.097 0.000 1.136 363 Y CB -0.891 37.467 38.460 -0.169 0.000 0.975 363 Y HN 0.187 nan 8.280 nan 0.000 0.498 364 S N -1.245 114.514 115.700 0.097 0.000 2.383 364 S HA -0.240 4.272 4.470 0.069 0.000 0.227 364 S C 1.858 176.506 174.600 0.081 0.000 1.026 364 S CA 1.342 59.624 58.200 0.137 0.000 0.981 364 S CB -0.950 62.556 63.200 0.511 0.000 0.818 364 S HN 0.642 nan 8.310 nan 0.000 0.472 365 H N 1.881 120.993 119.070 0.069 0.000 2.353 365 H HA 0.007 4.604 4.556 0.068 0.000 0.300 365 H C 2.367 177.715 175.328 0.034 0.000 1.090 365 H CA 1.847 57.938 56.048 0.072 0.000 1.327 365 H CB -0.711 29.105 29.762 0.089 0.000 1.383 365 H HN 0.414 nan 8.280 nan 0.000 0.508 366 S N -0.541 115.155 115.700 -0.005 0.000 2.353 366 S HA -0.147 4.364 4.470 0.069 0.000 0.222 366 S C 2.253 176.709 174.600 -0.239 0.000 1.035 366 S CA 1.636 59.839 58.200 0.005 0.000 1.025 366 S CB -0.482 62.984 63.200 0.444 0.000 0.902 366 S HN 0.500 nan 8.310 nan 0.000 0.440 367 I N 1.095 121.259 120.570 -0.676 0.000 2.163 367 I HA -0.191 4.021 4.170 0.069 0.000 0.243 367 I C 2.227 178.056 176.117 -0.480 0.000 1.085 367 I CA 1.413 62.149 61.300 -0.940 0.000 1.347 367 I CB -0.393 36.600 38.000 -1.679 0.000 1.044 367 I HN 0.339 nan 8.210 nan 0.000 0.408 368 I N 0.094 120.474 120.570 -0.316 0.000 2.226 368 I HA -0.269 3.942 4.170 0.069 0.000 0.245 368 I C 2.544 178.606 176.117 -0.091 0.000 1.100 368 I CA 1.534 62.792 61.300 -0.071 0.000 1.374 368 I CB -0.589 37.452 38.000 0.069 0.000 1.057 368 I HN 0.229 nan 8.210 nan 0.000 0.413 369 T N 0.524 114.980 114.554 -0.162 0.000 2.708 369 T HA -0.164 4.228 4.350 0.069 0.000 0.266 369 T C 1.761 176.493 174.700 0.054 0.000 1.037 369 T CA 1.427 63.485 62.100 -0.070 0.000 1.146 369 T CB -0.401 68.341 68.868 -0.210 0.000 0.865 369 T HN 0.349 nan 8.240 nan 0.000 0.435 370 N N 1.116 119.822 118.700 0.011 0.000 2.043 370 N HA -0.064 4.717 4.740 0.069 0.000 0.193 370 N C 1.964 177.490 175.510 0.026 0.000 1.037 370 N CA 1.206 54.295 53.050 0.065 0.000 0.851 370 N CB -0.387 38.176 38.487 0.127 0.000 1.027 370 N HN 0.331 nan 8.380 nan 0.000 0.422 371 L N 1.197 122.407 121.223 -0.022 0.000 2.079 371 L HA -0.146 4.235 4.340 0.069 0.000 0.210 371 L C 2.243 179.009 176.870 -0.173 0.000 1.081 371 L CA 0.826 55.640 54.840 -0.044 0.000 0.752 371 L CB -0.393 41.677 42.059 0.019 0.000 0.896 371 L HN 0.169 nan 8.230 nan 0.000 0.433 372 L N -1.750 119.351 121.223 -0.203 0.000 2.376 372 L HA -0.150 4.231 4.340 0.069 0.000 0.219 372 L C 0.653 177.003 176.870 -0.866 0.000 1.133 372 L CA 0.747 55.305 54.840 -0.470 0.000 0.816 372 L CB -0.115 41.722 42.059 -0.370 0.000 0.933 372 L HN 0.245 nan 8.230 nan 0.000 0.449 373 Y N -1.004 119.068 120.300 -0.380 0.000 2.669 373 Y HA 0.244 4.837 4.550 0.072 0.000 0.302 373 Y C 0.362 176.083 175.900 -0.299 0.000 1.000 373 Y CA -0.708 57.138 58.100 -0.423 0.000 1.222 373 Y CB -0.358 38.030 38.460 -0.120 0.000 1.209 373 Y HN 0.151 nan 8.280 nan 0.000 0.571 374 H N -2.992 116.019 119.070 -0.099 0.000 3.636 374 H HA -0.141 4.457 4.556 0.069 0.000 0.179 374 H C -0.015 175.317 175.328 0.006 0.000 0.968 374 H CA 0.511 56.491 56.048 -0.114 0.000 1.220 374 H CB -1.608 27.976 29.762 -0.296 0.000 1.023 374 H HN 0.113 nan 8.280 nan 0.000 0.366 375 V N 2.639 122.609 119.914 0.093 0.000 2.614 375 V HA 0.089 4.251 4.120 0.069 0.000 0.291 375 V C 1.976 178.112 176.094 0.071 0.000 1.049 375 V CA 0.602 62.960 62.300 0.096 0.000 1.038 375 V CB 1.670 33.533 31.823 0.067 0.000 0.980 375 V HN 0.321 nan 8.190 nan 0.000 0.481 376 V N 1.400 121.378 119.914 0.106 0.000 3.650 376 V HA 0.692 4.853 4.120 0.069 0.000 0.271 376 V C 0.664 176.749 176.094 -0.015 0.000 1.281 376 V CA 0.943 63.300 62.300 0.094 0.000 1.120 376 V CB -0.256 31.669 31.823 0.170 0.000 0.856 376 V HN 1.046 nan 8.190 nan 0.000 0.443 377 G N -1.419 107.302 108.800 -0.132 0.000 2.451 377 G HA2 0.435 4.437 3.960 0.069 0.000 0.292 377 G HA3 0.435 4.437 3.960 0.069 0.000 0.292 377 G C -2.642 171.872 174.900 -0.643 0.000 1.427 377 G CA -0.427 44.373 45.100 -0.500 0.000 0.792 377 G HN 0.360 nan 8.290 nan 0.000 0.498 378 W N 0.690 121.476 121.300 -0.856 0.000 3.405 378 W HA 0.602 5.304 4.660 0.070 0.000 0.329 378 W C -0.823 175.419 176.519 -0.461 0.000 1.142 378 W CA -0.412 56.574 57.345 -0.598 0.000 1.235 378 W CB 2.301 31.589 29.460 -0.287 0.000 1.341 378 W HN 0.577 nan 8.180 nan 0.000 0.481 379 T N 4.115 118.260 114.554 -0.682 0.000 2.809 379 T HA 0.135 4.526 4.350 0.069 0.000 0.284 379 T C -0.611 173.673 174.700 -0.693 0.000 0.992 379 T CA -0.518 61.300 62.100 -0.469 0.000 0.957 379 T CB 1.371 70.070 68.868 -0.280 0.000 0.942 379 T HN 0.336 nan 8.240 nan 0.000 0.439 380 D N 1.176 121.363 120.400 -0.354 0.000 2.361 380 D HA 0.102 4.784 4.640 0.069 0.000 0.239 380 D C 0.319 176.586 176.300 -0.055 0.000 1.200 380 D CA -0.401 53.462 54.000 -0.229 0.000 0.915 380 D CB 0.822 41.696 40.800 0.124 0.000 1.170 380 D HN 0.558 nan 8.370 nan 0.000 0.444 381 W N 1.574 122.727 121.300 -0.246 0.000 1.692 381 W HA 0.107 4.808 4.660 0.069 0.000 0.644 381 W C 0.269 176.707 176.519 -0.135 0.000 1.365 381 W CA -0.708 56.528 57.345 -0.183 0.000 1.159 381 W CB 0.033 29.389 29.460 -0.174 0.000 3.497 381 W HN 0.224 nan 8.180 nan 0.000 0.768 382 N N 2.615 120.930 118.700 -0.640 0.000 2.292 382 N HA -0.120 4.661 4.740 0.069 0.000 0.258 382 N C 0.865 176.247 175.510 -0.212 0.000 1.261 382 N CA 0.612 53.275 53.050 -0.645 0.000 0.845 382 N CB 0.852 38.841 38.487 -0.830 0.000 1.064 382 N HN 0.331 nan 8.380 nan 0.000 0.471 383 L N 1.119 122.265 121.223 -0.129 0.000 2.131 383 L HA -0.071 4.311 4.340 0.069 0.000 0.210 383 L C 1.052 178.017 176.870 0.159 0.000 1.092 383 L CA 0.913 55.758 54.840 0.008 0.000 0.759 383 L CB -0.133 41.918 42.059 -0.014 0.000 0.903 383 L HN 0.602 nan 8.230 nan 0.000 0.435 384 A N -0.816 122.024 122.820 0.035 0.000 2.594 384 A HA 0.767 5.128 4.320 0.069 0.000 0.295 384 A C -1.223 176.347 177.584 -0.023 0.000 1.071 384 A CA -0.464 51.597 52.037 0.040 0.000 0.685 384 A CB 1.509 20.526 19.000 0.028 0.000 1.285 384 A HN -0.018 nan 8.150 nan 0.000 0.405 385 L N 0.824 122.049 121.223 0.004 0.000 2.403 385 L HA 0.467 4.848 4.340 0.069 0.000 0.253 385 L C -0.235 176.652 176.870 0.028 0.000 1.045 385 L CA -1.236 53.613 54.840 0.014 0.000 0.845 385 L CB 2.363 44.433 42.059 0.019 0.000 1.447 385 L HN 1.003 nan 8.230 nan 0.000 0.411 386 N N -0.206 118.508 118.700 0.023 0.000 2.364 386 N HA 0.289 5.070 4.740 0.069 0.000 0.264 386 N C -2.399 173.100 175.510 -0.019 0.000 1.263 386 N CA -1.606 51.447 53.050 0.004 0.000 0.959 386 N CB -0.203 38.275 38.487 -0.015 0.000 1.204 386 N HN 0.175 nan 8.380 nan 0.000 0.550 387 P HA -0.088 nan 4.420 nan 0.000 0.225 387 P C 0.645 177.884 177.300 -0.102 0.000 1.148 387 P CA 1.069 64.140 63.100 -0.048 0.000 0.779 387 P CB 0.148 31.831 31.700 -0.029 0.000 0.780 388 E N -0.564 119.531 120.200 -0.175 0.000 2.371 388 E HA 0.042 4.433 4.350 0.069 0.000 0.194 388 E C 0.913 177.306 176.600 -0.344 0.000 1.012 388 E CA 0.618 56.815 56.400 -0.338 0.000 0.860 388 E CB -0.429 28.919 29.700 -0.587 0.000 0.811 388 E HN 0.128 nan 8.360 nan 0.000 0.502 389 G N -0.151 108.564 108.800 -0.141 0.000 2.140 389 G HA2 -0.177 3.824 3.960 0.069 0.000 0.211 389 G HA3 -0.177 3.824 3.960 0.069 0.000 0.211 389 G C 0.154 175.230 174.900 0.292 0.000 1.013 389 G CA 0.003 45.152 45.100 0.082 0.000 0.705 389 G HN 0.581 nan 8.290 nan 0.000 0.508 390 G N -0.767 108.099 108.800 0.110 0.000 3.222 390 G HA2 0.891 4.892 3.960 0.069 0.000 0.263 390 G HA3 0.891 4.892 3.960 0.069 0.000 0.263 390 G C -2.899 172.127 174.900 0.209 0.000 1.312 390 G CA -0.546 44.749 45.100 0.325 0.000 0.934 390 G HN 0.233 nan 8.290 nan 0.000 0.577 391 P HA 0.242 nan 4.420 nan 0.000 0.278 391 P C -1.140 176.282 177.300 0.204 0.000 1.266 391 P CA -0.404 62.841 63.100 0.242 0.000 0.807 391 P CB 1.513 33.307 31.700 0.157 0.000 1.094 392 N N 0.894 119.660 118.700 0.109 0.000 2.718 392 N HA 0.020 4.801 4.740 0.069 0.000 0.260 392 N C 0.640 176.036 175.510 -0.191 0.000 1.089 392 N CA -0.530 52.348 53.050 -0.287 0.000 1.021 392 N CB 0.757 38.761 38.487 -0.805 0.000 1.618 392 N HN 0.564 nan 8.380 nan 0.000 0.554 393 W N 3.769 124.943 121.300 -0.209 0.000 2.525 393 W HA 0.109 4.810 4.660 0.069 0.000 0.259 393 W C -0.365 176.072 176.519 -0.137 0.000 1.253 393 W CA 0.343 57.616 57.345 -0.119 0.000 1.262 393 W CB -0.519 28.897 29.460 -0.073 0.000 1.122 393 W HN 0.230 nan 8.180 nan 0.000 0.607 394 V N 1.827 121.232 119.914 -0.848 0.000 3.621 394 V HA 0.167 4.329 4.120 0.069 0.000 0.285 394 V C 1.191 176.941 176.094 -0.572 0.000 1.346 394 V CA -0.017 61.815 62.300 -0.779 0.000 1.104 394 V CB -0.992 30.356 31.823 -0.792 0.000 0.913 394 V HN 0.117 nan 8.190 nan 0.000 0.432 395 R N 0.795 120.866 120.500 -0.714 0.000 3.641 395 R HA -0.224 4.157 4.340 0.069 0.000 0.286 395 R C 0.464 176.044 176.300 -1.200 0.000 1.153 395 R CA 0.871 56.242 56.100 -1.214 0.000 0.775 395 R CB -1.863 28.045 30.300 -0.654 0.000 1.215 395 R HN 0.589 nan 8.270 nan 0.000 0.474 396 N N 1.155 119.315 118.700 -0.900 0.000 3.303 396 N HA 0.093 4.875 4.740 0.069 0.000 0.304 396 N C -0.468 174.796 175.510 -0.411 0.000 1.302 396 N CA -0.046 52.668 53.050 -0.560 0.000 1.213 396 N CB -0.005 38.103 38.487 -0.633 0.000 1.481 396 N HN 0.157 nan 8.380 nan 0.000 0.546 397 F N 0.369 120.284 119.950 -0.058 0.000 2.471 397 F HA 0.221 4.789 4.527 0.069 0.000 0.353 397 F C 1.211 177.113 175.800 0.169 0.000 1.113 397 F CA -0.570 57.479 58.000 0.082 0.000 1.262 397 F CB 0.516 39.546 39.000 0.051 0.000 1.146 397 F HN 0.000 nan 8.300 nan 0.000 0.578 398 V N -1.288 118.910 119.914 0.474 0.000 3.105 398 V HA 0.590 4.751 4.120 0.069 0.000 0.311 398 V C -1.203 175.015 176.094 0.206 0.000 1.287 398 V CA -0.933 61.554 62.300 0.312 0.000 1.066 398 V CB 1.888 33.927 31.823 0.359 0.000 1.105 398 V HN 0.567 nan 8.190 nan 0.000 0.462 399 D N 0.194 120.687 120.400 0.155 0.000 2.332 399 D HA 0.722 5.403 4.640 0.069 0.000 0.252 399 D C -0.739 175.610 176.300 0.082 0.000 1.050 399 D CA 0.210 54.264 54.000 0.089 0.000 0.970 399 D CB 2.016 42.850 40.800 0.057 0.000 1.141 399 D HN 0.933 nan 8.370 nan 0.000 0.485 400 S N 0.459 116.192 115.700 0.055 0.000 2.546 400 S HA 0.473 4.984 4.470 0.069 0.000 0.274 400 S C -2.274 172.384 174.600 0.097 0.000 1.121 400 S CA -1.317 56.927 58.200 0.075 0.000 0.887 400 S CB 1.781 65.002 63.200 0.035 0.000 1.094 400 S HN 0.098 nan 8.310 nan 0.000 0.474 401 P HA 0.137 nan 4.420 nan 0.000 0.221 401 P C -0.341 177.071 177.300 0.187 0.000 1.145 401 P CA 1.064 64.283 63.100 0.197 0.000 0.795 401 P CB 0.023 31.944 31.700 0.368 0.000 0.775 402 I N -0.312 120.365 120.570 0.177 0.000 2.465 402 I HA 0.270 4.482 4.170 0.069 0.000 0.291 402 I C -0.443 175.739 176.117 0.110 0.000 1.014 402 I CA -0.992 60.373 61.300 0.108 0.000 1.093 402 I CB 2.305 40.310 38.000 0.008 0.000 1.267 402 I HN -0.301 nan 8.210 nan 0.000 0.431 403 I N 6.626 127.284 120.570 0.146 0.000 2.406 403 I HA 0.369 4.580 4.170 0.069 0.000 0.290 403 I C -0.103 176.097 176.117 0.139 0.000 0.999 403 I CA -0.760 60.624 61.300 0.141 0.000 1.124 403 I CB 1.904 40.002 38.000 0.164 0.000 1.289 403 I HN 0.132 nan 8.210 nan 0.000 0.441 404 V N 5.374 125.334 119.914 0.077 0.000 2.427 404 V HA 0.295 4.457 4.120 0.069 0.000 0.286 404 V C -0.061 176.056 176.094 0.038 0.000 1.034 404 V CA -0.505 61.820 62.300 0.042 0.000 0.893 404 V CB 1.917 33.749 31.823 0.016 0.000 0.982 404 V HN 0.597 nan 8.190 nan 0.000 0.452 405 D N 4.163 124.563 120.400 -0.001 0.000 2.477 405 D HA 0.365 5.046 4.640 0.069 0.000 0.239 405 D C 0.887 177.203 176.300 0.026 0.000 1.102 405 D CA -0.228 53.797 54.000 0.042 0.000 0.901 405 D CB 1.139 41.981 40.800 0.070 0.000 1.026 405 D HN 0.432 nan 8.370 nan 0.000 0.515 406 I N 1.274 121.862 120.570 0.030 0.000 2.226 406 I HA -0.248 3.963 4.170 0.069 0.000 0.245 406 I C 2.429 178.562 176.117 0.026 0.000 1.100 406 I CA 1.391 62.706 61.300 0.025 0.000 1.374 406 I CB -0.048 37.965 38.000 0.023 0.000 1.057 406 I HN 0.411 nan 8.210 nan 0.000 0.413 407 T N -2.163 112.410 114.554 0.032 0.000 3.072 407 T HA -0.053 4.339 4.350 0.069 0.000 0.266 407 T C 1.457 176.176 174.700 0.032 0.000 1.127 407 T CA 0.750 62.869 62.100 0.031 0.000 1.107 407 T CB -0.188 68.701 68.868 0.034 0.000 0.910 407 T HN 0.338 nan 8.240 nan 0.000 0.513 408 K N 0.457 120.876 120.400 0.033 0.000 2.374 408 K HA 0.153 4.514 4.320 0.069 0.000 0.202 408 K C 0.131 176.737 176.600 0.011 0.000 1.040 408 K CA 0.123 56.427 56.287 0.028 0.000 1.085 408 K CB 0.363 32.892 32.500 0.048 0.000 0.873 408 K HN 0.088 nan 8.250 nan 0.000 0.539 409 D N 2.034 122.442 120.400 0.014 0.000 2.701 409 D HA -0.140 4.541 4.640 0.069 0.000 0.235 409 D C -1.162 175.142 176.300 0.006 0.000 1.155 409 D CA 1.089 55.102 54.000 0.021 0.000 0.649 409 D CB -0.860 39.954 40.800 0.024 0.000 1.050 409 D HN 0.113 nan 8.370 nan 0.000 0.425 410 T N 0.424 114.953 114.554 -0.042 0.000 2.887 410 T HA 0.689 5.081 4.350 0.069 0.000 0.288 410 T C -0.124 174.454 174.700 -0.202 0.000 1.021 410 T CA -0.709 61.284 62.100 -0.178 0.000 1.000 410 T CB 1.209 69.924 68.868 -0.257 0.000 1.034 410 T HN 0.190 nan 8.240 nan 0.000 0.467 411 F N 0.027 119.723 119.950 -0.423 0.000 2.588 411 F HA 0.811 5.379 4.527 0.069 0.000 0.314 411 F C -1.758 173.725 175.800 -0.529 0.000 1.069 411 F CA -1.629 56.094 58.000 -0.462 0.000 0.931 411 F CB 1.184 40.044 39.000 -0.233 0.000 1.260 411 F HN 0.477 nan 8.300 nan 0.000 0.465 412 Y N 1.259 121.624 120.300 0.107 0.000 2.328 412 Y HA 0.456 5.047 4.550 0.069 0.000 0.336 412 Y C -0.401 175.526 175.900 0.045 0.000 0.960 412 Y CA -1.141 56.978 58.100 0.031 0.000 1.134 412 Y CB 1.934 40.421 38.460 0.046 0.000 1.166 412 Y HN 0.416 nan 8.280 nan 0.000 0.464 413 K N 4.640 125.113 120.400 0.122 0.000 2.262 413 K HA 0.270 4.632 4.320 0.069 0.000 0.282 413 K C -0.410 176.334 176.600 0.240 0.000 1.066 413 K CA -0.537 55.745 56.287 -0.008 0.000 0.901 413 K CB 1.131 33.380 32.500 -0.420 0.000 1.089 413 K HN 0.680 nan 8.250 nan 0.000 0.476 414 Q N 2.333 122.271 119.800 0.229 0.000 2.199 414 Q HA 0.125 4.507 4.340 0.069 0.000 0.232 414 Q C -1.742 174.512 176.000 0.423 0.000 0.969 414 Q CA -2.014 53.956 55.803 0.278 0.000 0.925 414 Q CB 0.480 29.308 28.738 0.149 0.000 1.198 414 Q HN 0.229 nan 8.270 nan 0.000 0.494 415 P HA -0.197 nan 4.420 nan 0.000 0.216 415 P C 1.187 178.654 177.300 0.279 0.000 1.150 415 P CA 1.700 65.047 63.100 0.412 0.000 0.843 415 P CB 0.091 31.922 31.700 0.219 0.000 0.787 416 M N -2.709 116.904 119.600 0.021 0.000 2.143 416 M HA -0.220 4.302 4.480 0.069 0.000 0.258 416 M C 2.014 178.385 176.300 0.117 0.000 1.071 416 M CA 1.879 57.090 55.300 -0.149 0.000 1.088 416 M CB -0.905 31.384 32.600 -0.518 0.000 1.360 416 M HN -0.059 nan 8.290 nan 0.000 0.404 417 F N 0.031 119.997 119.950 0.026 0.000 2.134 417 F HA -0.247 4.322 4.527 0.070 0.000 0.299 417 F C 1.828 177.560 175.800 -0.113 0.000 1.097 417 F CA 1.594 59.541 58.000 -0.088 0.000 1.264 417 F CB -0.362 38.416 39.000 -0.371 0.000 1.001 417 F HN 0.004 nan 8.300 nan 0.000 0.479 418 Y N -0.559 119.955 120.300 0.357 0.000 2.220 418 Y HA -0.178 4.413 4.550 0.068 0.000 0.291 418 Y C 2.810 178.860 175.900 0.249 0.000 1.129 418 Y CA 1.779 60.053 58.100 0.290 0.000 1.161 418 Y CB -1.048 37.653 38.460 0.401 0.000 0.997 418 Y HN 0.126 nan 8.280 nan 0.000 0.522 419 H N -0.330 118.911 119.070 0.285 0.000 2.352 419 H HA -0.191 4.407 4.556 0.069 0.000 0.299 419 H C 2.335 177.826 175.328 0.272 0.000 1.097 419 H CA 1.821 58.000 56.048 0.218 0.000 1.311 419 H CB -0.361 29.428 29.762 0.044 0.000 1.377 419 H HN 0.335 nan 8.280 nan 0.000 0.504 420 L N 0.038 121.424 121.223 0.272 0.000 2.046 420 L HA -0.108 4.274 4.340 0.069 0.000 0.208 420 L C 2.761 179.666 176.870 0.058 0.000 1.077 420 L CA 1.151 56.089 54.840 0.162 0.000 0.747 420 L CB -0.441 41.736 42.059 0.196 0.000 0.896 420 L HN 0.285 nan 8.230 nan 0.000 0.432 421 G N -2.255 106.480 108.800 -0.109 0.000 2.443 421 G HA2 -0.237 3.764 3.960 0.069 0.000 0.219 421 G HA3 -0.237 3.764 3.960 0.069 0.000 0.219 421 G C 1.325 176.082 174.900 -0.239 0.000 1.131 421 G CA 0.211 45.146 45.100 -0.275 0.000 0.775 421 G HN 0.440 nan 8.290 nan 0.000 0.547 422 H N -0.724 118.289 119.070 -0.094 0.000 2.518 422 H HA -0.020 4.577 4.556 0.069 0.000 0.289 422 H C 1.756 176.851 175.328 -0.387 0.000 1.051 422 H CA 1.097 57.057 56.048 -0.148 0.000 1.280 422 H CB 0.121 29.709 29.762 -0.289 0.000 1.380 422 H HN 0.487 nan 8.280 nan 0.000 0.566 423 F N -0.255 119.586 119.950 -0.183 0.000 2.399 423 F HA -0.062 4.506 4.527 0.068 0.000 0.282 423 F C 2.837 178.229 175.800 -0.680 0.000 1.027 423 F CA 0.644 58.359 58.000 -0.476 0.000 1.333 423 F CB -0.603 37.880 39.000 -0.862 0.000 1.132 423 F HN 0.003 nan 8.300 nan 0.000 0.590 424 S N 0.539 115.919 115.700 -0.533 0.000 2.383 424 S HA -0.263 4.248 4.470 0.069 0.000 0.229 424 S C 1.991 176.419 174.600 -0.286 0.000 1.030 424 S CA 1.555 59.552 58.200 -0.337 0.000 1.002 424 S CB -0.641 62.548 63.200 -0.019 0.000 0.829 424 S HN 0.378 nan 8.310 nan 0.000 0.467 425 K N 0.188 120.250 120.400 -0.564 0.000 2.155 425 K HA 0.084 4.446 4.320 0.069 0.000 0.203 425 K C 0.737 176.822 176.600 -0.858 0.000 1.052 425 K CA 1.185 56.923 56.287 -0.915 0.000 0.948 425 K CB -0.128 31.385 32.500 -1.644 0.000 0.728 425 K HN 0.574 nan 8.250 nan 0.000 0.448 426 F N -0.183 119.643 119.950 -0.206 0.000 2.682 426 F HA 0.314 4.883 4.527 0.071 0.000 0.308 426 F C 0.096 175.913 175.800 0.028 0.000 1.093 426 F CA -0.528 57.409 58.000 -0.104 0.000 1.244 426 F CB 0.889 39.794 39.000 -0.157 0.000 1.052 426 F HN -0.188 nan 8.300 nan 0.000 0.573 427 I N 3.309 123.926 120.570 0.078 0.000 2.668 427 I HA 0.244 4.456 4.170 0.069 0.000 0.276 427 I C -2.491 173.669 176.117 0.071 0.000 1.139 427 I CA -1.938 59.433 61.300 0.118 0.000 1.133 427 I CB 0.798 38.968 38.000 0.283 0.000 1.327 427 I HN -0.228 nan 8.210 nan 0.000 0.520 428 P HA 0.060 nan 4.420 nan 0.000 0.274 428 P C -0.139 177.136 177.300 -0.043 0.000 1.246 428 P CA -0.255 62.791 63.100 -0.090 0.000 0.795 428 P CB 0.871 32.458 31.700 -0.189 0.000 1.006 429 E N 0.069 120.247 120.200 -0.036 0.000 2.529 429 E HA 0.134 4.525 4.350 0.069 0.000 0.259 429 E C 1.097 177.672 176.600 -0.042 0.000 0.966 429 E CA 1.182 57.550 56.400 -0.053 0.000 0.937 429 E CB -0.710 28.940 29.700 -0.083 0.000 0.923 429 E HN 0.782 nan 8.360 nan 0.000 0.468 430 G N 2.997 111.784 108.800 -0.022 0.000 2.213 430 G HA2 -0.277 3.724 3.960 0.069 0.000 0.236 430 G HA3 -0.277 3.724 3.960 0.069 0.000 0.236 430 G C 0.250 175.159 174.900 0.014 0.000 0.991 430 G CA 0.128 45.227 45.100 -0.002 0.000 0.629 430 G HN 0.615 nan 8.290 nan 0.000 0.517 431 S N 0.091 115.798 115.700 0.012 0.000 2.566 431 S HA 0.433 4.945 4.470 0.069 0.000 0.280 431 S C 0.193 174.838 174.600 0.075 0.000 1.343 431 S CA 0.534 58.764 58.200 0.050 0.000 1.036 431 S CB 1.528 64.772 63.200 0.073 0.000 0.866 431 S HN 0.658 nan 8.310 nan 0.000 0.526 432 Q N 1.169 121.021 119.800 0.086 0.000 2.321 432 Q HA 0.301 4.682 4.340 0.069 0.000 0.270 432 Q C -0.633 175.436 176.000 0.115 0.000 1.032 432 Q CA -0.718 55.142 55.803 0.094 0.000 0.784 432 Q CB 1.119 29.900 28.738 0.072 0.000 1.264 432 Q HN 0.546 nan 8.270 nan 0.000 0.448 433 R N 2.509 123.097 120.500 0.147 0.000 2.537 433 R HA 0.220 4.602 4.340 0.069 0.000 0.280 433 R C -0.397 176.065 176.300 0.270 0.000 1.058 433 R CA 0.284 56.483 56.100 0.166 0.000 1.057 433 R CB 0.395 30.767 30.300 0.119 0.000 0.973 433 R HN 0.532 nan 8.270 nan 0.000 0.438 434 V N 0.817 120.866 119.914 0.226 0.000 3.158 434 V HA 0.754 4.915 4.120 0.069 0.000 0.315 434 V C 0.326 176.602 176.094 0.303 0.000 1.148 434 V CA -0.764 61.698 62.300 0.269 0.000 1.042 434 V CB 1.393 33.281 31.823 0.109 0.000 1.101 434 V HN 0.802 nan 8.190 nan 0.000 0.448 435 G N 0.210 109.204 108.800 0.324 0.000 2.491 435 G HA2 0.525 4.526 3.960 0.069 0.000 0.242 435 G HA3 0.525 4.526 3.960 0.069 0.000 0.242 435 G C -1.083 173.880 174.900 0.106 0.000 1.266 435 G CA -0.051 45.207 45.100 0.263 0.000 0.844 435 G HN 1.278 nan 8.290 nan 0.000 0.571 436 L N 2.200 123.452 121.223 0.049 0.000 2.562 436 L HA 0.582 4.963 4.340 0.069 0.000 0.266 436 L C -0.368 176.506 176.870 0.007 0.000 0.949 436 L CA -0.732 54.123 54.840 0.025 0.000 0.879 436 L CB 2.157 44.225 42.059 0.016 0.000 1.278 436 L HN 0.725 nan 8.230 nan 0.000 0.404 437 V N 1.867 121.788 119.914 0.012 0.000 2.864 437 V HA 1.067 5.229 4.120 0.069 0.000 0.314 437 V C -0.228 175.870 176.094 0.006 0.000 1.073 437 V CA -0.164 62.142 62.300 0.009 0.000 0.956 437 V CB 1.529 33.364 31.823 0.020 0.000 1.023 437 V HN 1.067 nan 8.190 nan 0.000 0.435 438 A N 2.044 124.869 122.820 0.008 0.000 2.340 438 A HA 0.746 5.107 4.320 0.069 0.000 0.331 438 A C 0.909 178.501 177.584 0.014 0.000 1.140 438 A CA -0.038 52.003 52.037 0.007 0.000 0.801 438 A CB 1.729 20.734 19.000 0.008 0.000 1.234 438 A HN 1.815 nan 8.150 nan 0.000 0.469 439 S N 0.360 116.069 115.700 0.015 0.000 2.496 439 S HA 0.128 4.639 4.470 0.069 0.000 0.224 439 S C 0.499 175.112 174.600 0.021 0.000 0.996 439 S CA 0.752 58.966 58.200 0.023 0.000 0.927 439 S CB -0.422 62.796 63.200 0.030 0.000 0.774 439 S HN 0.947 nan 8.310 nan 0.000 0.524 440 Q N -1.195 118.616 119.800 0.018 0.000 2.575 440 Q HA 0.645 5.027 4.340 0.069 0.000 0.290 440 Q C -1.045 174.965 176.000 0.018 0.000 0.963 440 Q CA -1.238 54.576 55.803 0.018 0.000 0.783 440 Q CB 0.836 29.584 28.738 0.017 0.000 1.467 440 Q HN 0.054 nan 8.270 nan 0.000 0.402 441 K N 1.151 121.562 120.400 0.019 0.000 2.485 441 K HA 0.339 4.701 4.320 0.069 0.000 0.277 441 K C -0.418 176.194 176.600 0.019 0.000 0.990 441 K CA 0.893 57.194 56.287 0.022 0.000 0.994 441 K CB -0.665 31.849 32.500 0.023 0.000 0.906 441 K HN 0.856 nan 8.250 nan 0.000 0.488 442 N N -1.169 117.545 118.700 0.023 0.000 2.825 442 N HA 0.329 5.110 4.740 0.069 0.000 0.253 442 N C -1.077 174.450 175.510 0.029 0.000 1.426 442 N CA -0.789 52.273 53.050 0.020 0.000 0.851 442 N CB 1.574 40.070 38.487 0.016 0.000 1.470 442 N HN 0.301 nan 8.380 nan 0.000 0.517 443 D N 0.123 120.538 120.400 0.025 0.000 2.427 443 D HA 0.224 4.905 4.640 0.069 0.000 0.224 443 D C -0.265 176.066 176.300 0.051 0.000 1.157 443 D CA 0.098 54.120 54.000 0.037 0.000 0.828 443 D CB 0.180 40.995 40.800 0.025 0.000 0.974 443 D HN 0.366 nan 8.370 nan 0.000 0.498 444 L N 0.612 121.865 121.223 0.050 0.000 2.343 444 L HA 0.323 4.704 4.340 0.069 0.000 0.275 444 L C 0.275 177.199 176.870 0.091 0.000 1.056 444 L CA -0.654 54.224 54.840 0.063 0.000 0.804 444 L CB 1.283 43.365 42.059 0.039 0.000 1.203 444 L HN -0.291 nan 8.230 nan 0.000 0.440 445 D N 1.921 122.394 120.400 0.122 0.000 2.217 445 D HA 0.670 5.351 4.640 0.069 0.000 0.243 445 D C -0.625 175.740 176.300 0.109 0.000 1.054 445 D CA 0.009 54.090 54.000 0.134 0.000 0.838 445 D CB 2.180 43.100 40.800 0.201 0.000 1.162 445 D HN 0.608 nan 8.370 nan 0.000 0.472 446 A N 1.489 124.358 122.820 0.082 0.000 2.549 446 A HA 0.669 5.031 4.320 0.069 0.000 0.297 446 A C -1.491 176.128 177.584 0.059 0.000 1.061 446 A CA -0.725 51.358 52.037 0.077 0.000 0.690 446 A CB 1.972 21.005 19.000 0.056 0.000 1.287 446 A HN 0.344 nan 8.150 nan 0.000 0.402 447 V N 0.742 120.703 119.914 0.079 0.000 2.888 447 V HA 0.851 5.012 4.120 0.069 0.000 0.309 447 V C -0.515 175.621 176.094 0.069 0.000 1.114 447 V CA 0.161 62.496 62.300 0.057 0.000 0.940 447 V CB 1.879 33.753 31.823 0.086 0.000 1.021 447 V HN 2.078 nan 8.190 nan 0.000 0.426 448 A N 6.344 129.192 122.820 0.047 0.000 2.342 448 A HA 0.979 5.341 4.320 0.069 0.000 0.323 448 A C -1.487 176.124 177.584 0.046 0.000 1.125 448 A CA -0.497 51.566 52.037 0.044 0.000 0.785 448 A CB 1.297 20.324 19.000 0.046 0.000 1.221 448 A HN 0.897 nan 8.150 nan 0.000 0.463 449 L N 1.072 122.310 121.223 0.024 0.000 2.359 449 L HA 0.665 5.046 4.340 0.069 0.000 0.256 449 L C -0.258 176.603 176.870 -0.016 0.000 1.026 449 L CA -0.194 54.675 54.840 0.049 0.000 0.828 449 L CB 1.884 44.011 42.059 0.113 0.000 1.406 449 L HN 0.724 nan 8.230 nan 0.000 0.413 450 M N 0.422 120.033 119.600 0.019 0.000 2.311 450 M HA 0.430 4.951 4.480 0.069 0.000 0.325 450 M C -0.544 175.821 176.300 0.108 0.000 1.061 450 M CA -0.457 54.834 55.300 -0.016 0.000 0.957 450 M CB 1.532 34.112 32.600 -0.034 0.000 1.646 450 M HN 0.529 nan 8.290 nan 0.000 0.434 451 H N 2.674 121.694 119.070 -0.084 0.000 2.836 451 H HA 0.015 4.613 4.556 0.070 0.000 0.368 451 H C -1.540 173.775 175.328 -0.022 0.000 1.164 451 H CA -1.302 54.720 56.048 -0.044 0.000 1.425 451 H CB 0.450 30.173 29.762 -0.065 0.000 1.414 451 H HN 0.432 nan 8.280 nan 0.000 0.614 452 P HA -0.210 nan 4.420 nan 0.000 0.217 452 P C 0.774 178.113 177.300 0.064 0.000 1.148 452 P CA 1.683 64.813 63.100 0.051 0.000 0.834 452 P CB 0.047 31.759 31.700 0.020 0.000 0.783 453 D N -2.367 118.090 120.400 0.096 0.000 2.349 453 D HA 0.074 4.755 4.640 0.069 0.000 0.224 453 D C 1.444 177.784 176.300 0.066 0.000 1.029 453 D CA 0.761 54.815 54.000 0.090 0.000 0.879 453 D CB -0.939 39.938 40.800 0.130 0.000 0.906 453 D HN 0.246 nan 8.370 nan 0.000 0.528 454 G N 0.009 108.833 108.800 0.039 0.000 2.175 454 G HA2 -0.290 3.712 3.960 0.069 0.000 0.244 454 G HA3 -0.290 3.712 3.960 0.069 0.000 0.244 454 G C 0.452 175.292 174.900 -0.099 0.000 0.982 454 G CA 0.389 45.483 45.100 -0.010 0.000 0.641 454 G HN 0.847 nan 8.290 nan 0.000 0.527 455 S N 0.051 115.650 115.700 -0.168 0.000 2.600 455 S HA 0.763 5.275 4.470 0.069 0.000 0.265 455 S C 0.467 174.696 174.600 -0.618 0.000 1.325 455 S CA 0.566 58.491 58.200 -0.458 0.000 1.002 455 S CB 1.971 64.716 63.200 -0.757 0.000 0.921 455 S HN 1.919 nan 8.310 nan 0.000 0.554 456 A N 1.164 123.423 122.820 -0.936 0.000 2.312 456 A HA 0.739 5.100 4.320 0.069 0.000 0.328 456 A C -0.679 176.320 177.584 -0.976 0.000 1.158 456 A CA -0.821 50.578 52.037 -1.062 0.000 0.821 456 A CB 0.918 18.842 19.000 -1.792 0.000 1.170 456 A HN 0.993 nan 8.150 nan 0.000 0.490 457 V N 1.817 121.380 119.914 -0.585 0.000 2.638 457 V HA 0.532 4.694 4.120 0.069 0.000 0.306 457 V C -0.740 175.290 176.094 -0.107 0.000 1.052 457 V CA -0.507 61.622 62.300 -0.285 0.000 0.885 457 V CB 1.667 33.445 31.823 -0.074 0.000 0.999 457 V HN 0.684 nan 8.190 nan 0.000 0.424 458 V N 4.892 124.846 119.914 0.068 0.000 2.588 458 V HA 0.565 4.727 4.120 0.069 0.000 0.304 458 V C -0.460 175.740 176.094 0.177 0.000 1.042 458 V CA -0.603 61.792 62.300 0.158 0.000 0.877 458 V CB 2.270 34.246 31.823 0.254 0.000 0.996 458 V HN 0.634 nan 8.190 nan 0.000 0.425 459 V N 5.285 125.256 119.914 0.094 0.000 2.459 459 V HA 0.607 4.768 4.120 0.069 0.000 0.295 459 V C -0.377 175.769 176.094 0.086 0.000 1.029 459 V CA -0.602 61.705 62.300 0.013 0.000 0.874 459 V CB 1.903 33.568 31.823 -0.263 0.000 0.985 459 V HN 0.591 nan 8.190 nan 0.000 0.438 460 V N 5.848 125.828 119.914 0.110 0.000 2.483 460 V HA 0.505 4.667 4.120 0.069 0.000 0.297 460 V C -0.638 175.491 176.094 0.058 0.000 1.027 460 V CA -0.522 61.845 62.300 0.111 0.000 0.855 460 V CB 1.709 33.634 31.823 0.170 0.000 0.995 460 V HN 0.700 nan 8.190 nan 0.000 0.424 461 L N 4.520 125.796 121.223 0.088 0.000 2.322 461 L HA 0.666 5.047 4.340 0.069 0.000 0.281 461 L C -0.306 176.632 176.870 0.113 0.000 1.014 461 L CA 0.001 54.910 54.840 0.116 0.000 0.815 461 L CB 1.729 43.905 42.059 0.196 0.000 1.247 461 L HN 0.618 nan 8.230 nan 0.000 0.421 462 N N 3.862 122.629 118.700 0.112 0.000 2.457 462 N HA 0.293 5.075 4.740 0.069 0.000 0.250 462 N C 0.413 176.021 175.510 0.164 0.000 0.982 462 N CA -0.199 52.904 53.050 0.087 0.000 0.941 462 N CB 1.048 39.543 38.487 0.013 0.000 1.120 462 N HN 0.694 nan 8.380 nan 0.000 0.505 463 R N 0.703 121.289 120.500 0.145 0.000 2.236 463 R HA 0.025 4.406 4.340 0.069 0.000 0.208 463 R C 0.740 177.158 176.300 0.198 0.000 1.036 463 R CA 0.257 56.469 56.100 0.188 0.000 1.001 463 R CB 0.036 30.402 30.300 0.110 0.000 0.896 463 R HN 0.565 nan 8.270 nan 0.000 0.464 464 S N -0.279 115.441 115.700 0.033 0.000 2.713 464 S HA 0.142 4.653 4.470 0.069 0.000 0.283 464 S C 1.073 175.345 174.600 -0.547 0.000 1.161 464 S CA -0.513 57.625 58.200 -0.103 0.000 0.999 464 S CB 1.844 65.000 63.200 -0.073 0.000 1.039 464 S HN 0.132 nan 8.310 nan 0.000 0.548 465 S N -0.952 114.402 115.700 -0.577 0.000 2.562 465 S HA 0.227 4.738 4.470 0.069 0.000 0.221 465 S C 0.728 175.098 174.600 -0.383 0.000 0.975 465 S CA 0.194 57.918 58.200 -0.793 0.000 0.918 465 S CB -0.952 62.064 63.200 -0.308 0.000 0.772 465 S HN 1.156 nan 8.310 nan 0.000 0.531 466 K N 1.933 122.188 120.400 -0.241 0.000 2.183 466 K HA 0.445 4.806 4.320 0.069 0.000 0.274 466 K C -0.705 175.826 176.600 -0.115 0.000 1.009 466 K CA -0.729 55.478 56.287 -0.133 0.000 0.888 466 K CB -0.119 32.332 32.500 -0.081 0.000 1.078 466 K HN 0.285 nan 8.250 nan 0.000 0.459 467 D N 1.124 121.475 120.400 -0.082 0.000 2.455 467 D HA 0.197 4.878 4.640 0.069 0.000 0.241 467 D C -0.398 175.878 176.300 -0.040 0.000 1.138 467 D CA 0.102 54.069 54.000 -0.055 0.000 0.877 467 D CB 1.218 42.000 40.800 -0.030 0.000 1.187 467 D HN 0.197 nan 8.370 nan 0.000 0.451 468 V N 4.645 124.539 119.914 -0.034 0.000 2.380 468 V HA 0.240 4.402 4.120 0.069 0.000 0.286 468 V C -2.242 173.846 176.094 -0.011 0.000 1.015 468 V CA -1.705 60.582 62.300 -0.023 0.000 0.834 468 V CB 1.713 33.520 31.823 -0.026 0.000 1.009 468 V HN 0.374 nan 8.190 nan 0.000 0.428 469 P HA 0.359 nan 4.420 nan 0.000 0.268 469 P C -0.749 176.546 177.300 -0.008 0.000 1.204 469 P CA 0.130 63.233 63.100 0.005 0.000 0.768 469 P CB 0.603 32.309 31.700 0.010 0.000 0.842 470 L N -0.509 120.699 121.223 -0.024 0.000 2.568 470 L HA 0.803 5.184 4.340 0.069 0.000 0.257 470 L C -1.182 175.616 176.870 -0.120 0.000 1.024 470 L CA -0.611 54.191 54.840 -0.062 0.000 0.854 470 L CB 2.104 44.121 42.059 -0.071 0.000 1.460 470 L HN 0.070 nan 8.230 nan 0.000 0.409 471 T N 1.842 116.293 114.554 -0.173 0.000 2.841 471 T HA 0.681 5.072 4.350 0.069 0.000 0.283 471 T C -0.420 174.122 174.700 -0.262 0.000 1.000 471 T CA -0.200 61.739 62.100 -0.269 0.000 0.977 471 T CB 1.532 70.095 68.868 -0.508 0.000 0.979 471 T HN 0.494 nan 8.240 nan 0.000 0.446 472 I N 2.705 123.074 120.570 -0.336 0.000 2.339 472 I HA 0.385 4.596 4.170 0.069 0.000 0.290 472 I C 0.285 176.202 176.117 -0.334 0.000 0.994 472 I CA -0.683 60.414 61.300 -0.338 0.000 1.191 472 I CB 1.295 39.003 38.000 -0.486 0.000 1.343 472 I HN 0.317 nan 8.210 nan 0.000 0.458 473 K N 5.351 125.594 120.400 -0.263 0.000 2.234 473 K HA 0.199 4.560 4.320 0.069 0.000 0.277 473 K C -0.956 175.447 176.600 -0.329 0.000 1.038 473 K CA -0.504 55.515 56.287 -0.446 0.000 0.888 473 K CB 0.853 33.162 32.500 -0.319 0.000 1.091 473 K HN 0.444 nan 8.250 nan 0.000 0.467 474 D N 6.565 126.734 120.400 -0.385 0.000 2.427 474 D HA 0.287 4.969 4.640 0.069 0.000 0.226 474 D C -2.477 173.702 176.300 -0.202 0.000 1.076 474 D CA -2.284 51.634 54.000 -0.136 0.000 0.849 474 D CB 1.384 42.234 40.800 0.083 0.000 1.052 474 D HN 0.253 nan 8.370 nan 0.000 0.515 475 P HA 0.169 nan 4.420 nan 0.000 0.268 475 P C 0.251 177.504 177.300 -0.077 0.000 1.204 475 P CA 0.171 63.197 63.100 -0.123 0.000 0.768 475 P CB 1.003 32.669 31.700 -0.056 0.000 0.842 476 A N 1.673 124.449 122.820 -0.074 0.000 3.420 476 A HA -0.239 4.122 4.320 0.069 0.000 0.269 476 A C 1.230 178.800 177.584 -0.024 0.000 1.122 476 A CA 2.000 54.019 52.037 -0.031 0.000 1.023 476 A CB -2.509 16.488 19.000 -0.005 0.000 1.099 476 A HN 0.361 nan 8.150 nan 0.000 0.860 477 V N -2.499 117.382 119.914 -0.055 0.000 2.743 477 V HA 0.598 4.760 4.120 0.069 0.000 0.237 477 V C 1.503 177.546 176.094 -0.084 0.000 1.113 477 V CA 1.683 63.970 62.300 -0.022 0.000 1.141 477 V CB 0.288 32.150 31.823 0.064 0.000 0.873 477 V HN 2.202 nan 8.190 nan 0.000 0.486 478 G N -0.506 108.151 108.800 -0.238 0.000 2.352 478 G HA2 0.265 4.266 3.960 0.069 0.000 0.283 478 G HA3 0.265 4.266 3.960 0.069 0.000 0.283 478 G C -1.896 172.680 174.900 -0.540 0.000 1.308 478 G CA -0.769 44.176 45.100 -0.257 0.000 0.892 478 G HN 0.002 nan 8.290 nan 0.000 0.504 479 F N -0.491 119.353 119.950 -0.175 0.000 2.508 479 F HA 0.778 5.314 4.527 0.016 0.000 0.325 479 F C -0.062 175.544 175.800 -0.322 0.000 1.090 479 F CA -0.903 56.941 58.000 -0.259 0.000 0.945 479 F CB 2.096 40.983 39.000 -0.188 0.000 1.156 479 F HN 0.264 nan 8.300 nan 0.000 0.463 480 L N 3.247 124.268 121.223 -0.336 0.000 2.287 480 L HA 0.409 4.791 4.340 0.069 0.000 0.287 480 L C -0.324 176.342 176.870 -0.341 0.000 1.022 480 L CA -0.511 54.023 54.840 -0.510 0.000 0.814 480 L CB 0.994 42.380 42.059 -1.121 0.000 1.217 480 L HN 0.427 nan 8.230 nan 0.000 0.420 481 E N 2.192 122.312 120.200 -0.134 0.000 2.146 481 E HA 0.563 4.954 4.350 0.069 0.000 0.282 481 E C -0.233 176.361 176.600 -0.011 0.000 0.989 481 E CA -0.109 56.255 56.400 -0.059 0.000 0.799 481 E CB 2.179 31.897 29.700 0.030 0.000 1.088 481 E HN 0.548 nan 8.360 nan 0.000 0.397 482 T N 2.105 116.638 114.554 -0.035 0.000 2.647 482 T HA 0.620 5.011 4.350 0.069 0.000 0.295 482 T C -1.584 173.162 174.700 0.077 0.000 1.126 482 T CA -0.604 61.536 62.100 0.066 0.000 1.040 482 T CB 1.319 70.209 68.868 0.036 0.000 1.472 482 T HN 0.365 nan 8.240 nan 0.000 0.500 483 I N 1.803 122.467 120.570 0.157 0.000 2.692 483 I HA 0.549 4.760 4.170 0.069 0.000 0.293 483 I C -1.288 174.908 176.117 0.131 0.000 1.200 483 I CA -0.428 60.936 61.300 0.107 0.000 1.036 483 I CB 2.202 40.253 38.000 0.086 0.000 1.258 483 I HN 0.650 nan 8.210 nan 0.000 0.421 484 S N 8.946 124.647 115.700 0.003 0.000 2.474 484 S HA 0.584 5.096 4.470 0.069 0.000 0.320 484 S C -2.551 171.990 174.600 -0.098 0.000 1.067 484 S CA -1.435 56.672 58.200 -0.156 0.000 1.127 484 S CB 0.568 63.685 63.200 -0.138 0.000 0.971 484 S HN 0.394 nan 8.310 nan 0.000 0.472 485 P HA 0.130 nan 4.420 nan 0.000 0.267 485 P C 0.405 177.668 177.300 -0.061 0.000 1.200 485 P CA 0.074 63.155 63.100 -0.032 0.000 0.772 485 P CB 0.243 31.958 31.700 0.025 0.000 0.855 486 G N 2.280 111.012 108.800 -0.113 0.000 2.138 486 G HA2 -0.113 3.889 3.960 0.069 0.000 0.244 486 G HA3 -0.113 3.889 3.960 0.069 0.000 0.244 486 G C -0.189 174.638 174.900 -0.121 0.000 1.166 486 G CA 0.164 45.105 45.100 -0.265 0.000 0.902 486 G HN 0.719 nan 8.290 nan 0.000 0.460 487 Y N -0.371 120.007 120.300 0.130 0.000 4.936 487 Y HA -0.336 4.256 4.550 0.070 0.000 0.260 487 Y C 1.873 178.047 175.900 0.457 0.000 0.928 487 Y CA 0.638 58.913 58.100 0.292 0.000 1.869 487 Y CB -1.930 36.680 38.460 0.250 0.000 1.344 487 Y HN 0.959 nan 8.280 nan 0.000 0.521 488 S N 0.747 116.655 115.700 0.346 0.000 2.632 488 S HA 0.663 5.174 4.470 0.069 0.000 0.267 488 S C -0.313 174.423 174.600 0.227 0.000 1.276 488 S CA -0.481 57.903 58.200 0.306 0.000 0.998 488 S CB 2.563 65.815 63.200 0.087 0.000 0.953 488 S HN 0.360 nan 8.310 nan 0.000 0.547 489 I N 0.774 121.429 120.570 0.141 0.000 2.582 489 I HA 0.490 4.701 4.170 0.069 0.000 0.292 489 I C -1.153 174.894 176.117 -0.116 0.000 1.066 489 I CA -0.669 60.550 61.300 -0.135 0.000 1.053 489 I CB 1.582 39.303 38.000 -0.465 0.000 1.241 489 I HN 0.831 nan 8.210 nan 0.000 0.421 490 H N 4.329 123.259 119.070 -0.233 0.000 2.637 490 H HA 0.445 5.041 4.556 0.068 0.000 0.363 490 H C -1.074 174.173 175.328 -0.136 0.000 1.131 490 H CA -0.959 54.989 56.048 -0.166 0.000 1.183 490 H CB 2.280 31.960 29.762 -0.137 0.000 1.637 490 H HN 0.433 nan 8.280 nan 0.000 0.531 491 T N 3.145 117.716 114.554 0.028 0.000 2.792 491 T HA 0.270 4.661 4.350 0.069 0.000 0.280 491 T C -0.922 173.618 174.700 -0.266 0.000 0.990 491 T CA -0.632 61.418 62.100 -0.083 0.000 0.960 491 T CB 0.512 69.293 68.868 -0.146 0.000 0.939 491 T HN 0.302 nan 8.240 nan 0.000 0.439 492 Y N 2.240 122.577 120.300 0.062 0.000 2.360 492 Y HA 0.691 5.286 4.550 0.076 0.000 0.337 492 Y C -0.160 175.831 175.900 0.152 0.000 1.039 492 Y CA -1.138 57.058 58.100 0.160 0.000 1.109 492 Y CB 1.208 39.788 38.460 0.201 0.000 1.201 492 Y HN 0.411 nan 8.280 nan 0.000 0.458 493 L N 3.131 124.568 121.223 0.356 0.000 2.401 493 L HA 0.610 4.991 4.340 0.069 0.000 0.266 493 L C -1.410 175.680 176.870 0.367 0.000 0.991 493 L CA -0.601 54.309 54.840 0.117 0.000 0.818 493 L CB 1.820 43.856 42.059 -0.038 0.000 1.321 493 L HN 0.784 nan 8.230 nan 0.000 0.413 494 W N 0.538 121.786 121.300 -0.086 0.000 3.296 494 W HA 0.519 5.218 4.660 0.066 0.000 0.314 494 W C -1.341 175.072 176.519 -0.178 0.000 1.238 494 W CA -0.717 56.613 57.345 -0.025 0.000 1.193 494 W CB 0.504 30.012 29.460 0.080 0.000 1.383 494 W HN 0.313 nan 8.180 nan 0.000 0.545 495 H N 2.814 121.972 119.070 0.147 0.000 2.646 495 H HA 0.284 4.882 4.556 0.069 0.000 0.325 495 H C 0.639 176.053 175.328 0.143 0.000 1.075 495 H CA 0.015 56.095 56.048 0.053 0.000 1.421 495 H CB 1.740 31.537 29.762 0.058 0.000 1.461 495 H HN 0.509 nan 8.280 nan 0.000 0.525 496 R N 1.603 122.174 120.500 0.119 0.000 2.334 496 R HA -0.016 4.366 4.340 0.069 0.000 0.220 496 R C 0.810 177.187 176.300 0.128 0.000 0.917 496 R CA 0.009 56.198 56.100 0.148 0.000 1.073 496 R CB 0.281 30.601 30.300 0.035 0.000 1.056 496 R HN 0.659 nan 8.270 nan 0.000 0.506 497 Q N 0.791 120.671 119.800 0.134 0.000 2.292 497 Q HA 0.209 4.590 4.340 0.069 0.000 0.235 497 Q C 0.095 176.148 176.000 0.088 0.000 0.910 497 Q CA 0.162 56.024 55.803 0.097 0.000 0.952 497 Q CB -0.348 28.444 28.738 0.090 0.000 1.089 497 Q HN 0.140 nan 8.270 nan 0.000 0.431 498 L N 0.000 121.279 121.223 0.093 0.000 2.949 498 L HA 0.000 4.381 4.340 0.069 0.000 0.249 498 L CA 0.000 nan 54.840 nan 0.000 0.813 498 L CB 0.000 nan 42.059 nan 0.000 0.961 498 L HN 0.000 nan 8.230 nan 0.000 0.502