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 2v3e_1_A DATA FIRST_RESID -1 DATA SEQUENCE EFARPcIPKS FGYSSVVcVc NATYcDSFDP PTXPALGTFS 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 IHTYLWHRQ 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 0.000 176.401 176.600 -0.332 0.000 1.382 -1 E CA 0.000 56.321 56.400 -0.132 0.000 0.976 -1 E CB 0.000 29.581 29.700 -0.198 0.000 0.812 0 F N 0.529 120.502 119.950 0.038 0.000 2.482 0 F HA 0.758 5.325 4.527 0.067 0.000 0.331 0 F C 0.963 176.775 175.800 0.021 0.000 1.115 0 F CA -1.133 56.884 58.000 0.027 0.000 0.955 0 F CB 2.270 41.272 39.000 0.003 0.000 1.136 0 F HN 0.291 nan 8.300 nan 0.000 0.452 1 A N 4.695 127.635 122.820 0.200 0.000 2.546 1 A HA 0.513 4.872 4.320 0.066 0.000 0.243 1 A C 0.050 177.688 177.584 0.089 0.000 1.063 1 A CA -0.057 52.052 52.037 0.119 0.000 0.757 1 A CB 0.078 19.143 19.000 0.108 0.000 0.991 1 A HN 0.862 nan 8.150 nan 0.000 0.503 2 R N 3.037 123.537 120.500 -0.000 0.000 2.538 2 R HA 0.447 4.827 4.340 0.066 0.000 0.292 2 R C -2.887 173.421 176.300 0.013 0.000 1.008 2 R CA -1.651 54.438 56.100 -0.019 0.000 0.896 2 R CB 2.577 32.719 30.300 -0.263 0.000 1.187 2 R HN 0.582 nan 8.270 nan 0.000 0.440 3 P HA 0.052 nan 4.420 nan 0.000 0.276 3 P C -0.005 177.370 177.300 0.126 0.000 1.252 3 P CA -0.577 62.566 63.100 0.072 0.000 0.802 3 P CB 0.742 32.476 31.700 0.057 0.000 1.035 4 c N 2.767 121.393 118.600 0.043 0.000 2.523 4 c HA 0.055 4.665 4.570 0.066 0.000 0.406 4 c C 0.751 174.865 174.090 0.039 0.000 1.449 4 c CA -0.317 56.037 56.329 0.042 0.000 1.588 4 c CB -2.017 40.467 42.510 -0.045 0.000 2.514 4 c HN 0.247 nan 8.230 nan 0.000 0.606 5 I N 9.788 130.381 120.570 0.039 0.000 2.278 5 I HA 0.262 4.471 4.170 0.066 0.000 0.296 5 I C -1.562 174.545 176.117 -0.016 0.000 1.121 5 I CA -2.357 58.912 61.300 -0.051 0.000 1.267 5 I CB 0.248 38.159 38.000 -0.148 0.000 1.447 5 I HN 0.571 nan 8.210 nan 0.000 0.509 6 P HA 0.262 nan 4.420 nan 0.000 0.275 6 P C -0.639 176.644 177.300 -0.028 0.000 1.228 6 P CA -0.522 62.571 63.100 -0.011 0.000 0.786 6 P CB 1.538 33.220 31.700 -0.029 0.000 0.927 7 K N 1.115 121.509 120.400 -0.009 0.000 2.535 7 K HA 0.394 4.754 4.320 0.066 0.000 0.250 7 K C -0.870 175.665 176.600 -0.107 0.000 0.948 7 K CA -0.531 55.693 56.287 -0.104 0.000 0.796 7 K CB 1.643 34.068 32.500 -0.126 0.000 1.216 7 K HN 0.331 nan 8.250 nan 0.000 0.432 8 S N 2.874 118.444 115.700 -0.217 0.000 2.586 8 S HA 0.485 4.995 4.470 0.066 0.000 0.274 8 S C -0.385 173.946 174.600 -0.448 0.000 1.281 8 S CA -0.434 57.658 58.200 -0.180 0.000 1.035 8 S CB 0.301 63.410 63.200 -0.150 0.000 0.962 8 S HN 0.541 nan 8.310 nan 0.000 0.512 9 F N 1.838 121.672 119.950 -0.194 0.000 2.791 9 F HA 0.377 4.944 4.527 0.066 0.000 0.316 9 F C 1.509 176.971 175.800 -0.563 0.000 1.134 9 F CA 0.122 57.949 58.000 -0.289 0.000 1.222 9 F CB 0.711 39.589 39.000 -0.203 0.000 1.034 9 F HN 0.871 nan 8.300 nan 0.000 0.516 10 G N -0.608 107.994 108.800 -0.331 0.000 2.175 10 G HA2 -0.314 3.686 3.960 0.066 0.000 0.244 10 G HA3 -0.314 3.686 3.960 0.066 0.000 0.244 10 G C 0.149 174.794 174.900 -0.427 0.000 0.982 10 G CA -0.118 44.751 45.100 -0.385 0.000 0.641 10 G HN 0.393 nan 8.290 nan 0.000 0.527 11 Y N 0.642 120.991 120.300 0.082 0.000 2.486 11 Y HA 0.447 5.037 4.550 0.066 0.000 0.356 11 Y C 2.312 178.244 175.900 0.053 0.000 1.330 11 Y CA -0.001 58.141 58.100 0.069 0.000 1.557 11 Y CB 0.276 38.786 38.460 0.083 0.000 1.647 11 Y HN 0.204 nan 8.280 nan 0.000 0.585 12 S N -1.232 114.616 115.700 0.247 0.000 2.447 12 S HA -0.015 4.495 4.470 0.066 0.000 0.233 12 S C 0.678 175.328 174.600 0.084 0.000 1.006 12 S CA 0.907 59.178 58.200 0.118 0.000 0.957 12 S CB -0.143 63.116 63.200 0.098 0.000 0.773 12 S HN 0.472 nan 8.310 nan 0.000 0.507 13 S N -0.662 115.136 115.700 0.164 0.000 2.819 13 S HA 0.680 5.190 4.470 0.066 0.000 0.299 13 S C -0.974 173.723 174.600 0.160 0.000 1.192 13 S CA -0.256 58.026 58.200 0.136 0.000 0.847 13 S CB 1.117 64.467 63.200 0.251 0.000 1.224 13 S HN 0.788 nan 8.310 nan 0.000 0.537 14 V N 0.894 120.895 119.914 0.146 0.000 2.850 14 V HA 0.940 5.100 4.120 0.066 0.000 0.315 14 V C 0.258 176.469 176.094 0.195 0.000 1.064 14 V CA -0.478 61.903 62.300 0.134 0.000 0.979 14 V CB 0.956 32.813 31.823 0.057 0.000 1.039 14 V HN 0.909 nan 8.190 nan 0.000 0.452 15 V N -0.225 119.811 119.914 0.204 0.000 3.109 15 V HA 0.673 4.833 4.120 0.066 0.000 0.317 15 V C 0.095 176.305 176.094 0.195 0.000 1.074 15 V CA -0.522 61.917 62.300 0.231 0.000 1.033 15 V CB 1.264 33.222 31.823 0.225 0.000 1.111 15 V HN 1.085 nan 8.190 nan 0.000 0.458 16 c N 2.102 120.837 118.600 0.225 0.000 2.281 16 c HA 0.673 5.283 4.570 0.066 0.000 0.325 16 c C 0.227 174.396 174.090 0.133 0.000 1.282 16 c CA -0.668 55.753 56.329 0.154 0.000 1.640 16 c CB 0.150 42.759 42.510 0.165 0.000 2.288 16 c HN 0.756 nan 8.230 nan 0.000 0.507 17 V N 2.970 122.947 119.914 0.105 0.000 2.498 17 V HA 0.388 4.548 4.120 0.066 0.000 0.279 17 V C 0.281 176.288 176.094 -0.146 0.000 1.048 17 V CA -0.103 62.230 62.300 0.055 0.000 0.967 17 V CB 0.539 32.434 31.823 0.120 0.000 0.988 17 V HN 1.055 nan 8.190 nan 0.000 0.473 18 c N 4.996 123.322 118.600 -0.456 0.000 2.707 18 c HA 0.835 5.445 4.570 0.066 0.000 0.313 18 c C 0.141 173.890 174.090 -0.568 0.000 1.209 18 c CA -0.653 55.286 56.329 -0.649 0.000 1.635 18 c CB 1.693 43.303 42.510 -1.500 0.000 2.206 18 c HN 1.120 nan 8.230 nan 0.000 0.485 19 N N 0.159 118.703 118.700 -0.260 0.000 3.506 19 N HA 0.522 5.302 4.740 0.066 0.000 0.331 19 N C 0.351 175.887 175.510 0.044 0.000 1.631 19 N CA -0.075 52.926 53.050 -0.083 0.000 0.786 19 N CB 0.060 38.515 38.487 -0.052 0.000 2.023 19 N HN 0.507 nan 8.380 nan 0.000 0.621 20 A N -1.164 121.690 122.820 0.056 0.000 2.070 20 A HA -0.015 4.345 4.320 0.066 0.000 0.220 20 A C 1.410 179.031 177.584 0.062 0.000 1.159 20 A CA 2.477 54.554 52.037 0.068 0.000 0.656 20 A CB -1.257 17.771 19.000 0.046 0.000 0.800 20 A HN 0.891 nan 8.150 nan 0.000 0.453 21 T N -6.495 108.097 114.554 0.064 0.000 3.058 21 T HA 0.387 4.777 4.350 0.066 0.000 0.278 21 T C -0.172 174.594 174.700 0.110 0.000 0.974 21 T CA -0.153 61.988 62.100 0.069 0.000 0.893 21 T CB -0.129 68.775 68.868 0.060 0.000 1.138 21 T HN 0.295 nan 8.240 nan 0.000 0.529 22 Y N 0.146 120.421 120.300 -0.042 0.000 2.441 22 Y HA 0.586 5.176 4.550 0.066 0.000 0.334 22 Y C -1.597 174.241 175.900 -0.103 0.000 1.061 22 Y CA -1.374 56.690 58.100 -0.060 0.000 1.032 22 Y CB 1.926 40.342 38.460 -0.072 0.000 1.266 22 Y HN 0.313 nan 8.280 nan 0.000 0.441 23 c N 6.713 125.059 118.600 -0.423 0.000 2.985 23 c HA 0.345 4.954 4.570 0.066 0.000 0.332 23 c C -1.327 172.511 174.090 -0.420 0.000 1.164 23 c CA -0.866 55.308 56.329 -0.258 0.000 1.347 23 c CB 0.688 43.131 42.510 -0.112 0.000 1.764 23 c HN 0.939 nan 8.230 nan 0.000 0.489 24 D N 3.318 123.615 120.400 -0.172 0.000 2.472 24 D HA 0.358 5.038 4.640 0.066 0.000 0.237 24 D C -0.084 176.118 176.300 -0.164 0.000 1.141 24 D CA 0.497 54.416 54.000 -0.134 0.000 0.875 24 D CB 0.902 41.701 40.800 -0.001 0.000 1.192 24 D HN 0.798 nan 8.370 nan 0.000 0.450 25 S N 0.079 115.656 115.700 -0.206 0.000 2.672 25 S HA 0.638 5.148 4.470 0.066 0.000 0.271 25 S C -0.948 173.508 174.600 -0.239 0.000 1.171 25 S CA -1.079 57.026 58.200 -0.157 0.000 0.817 25 S CB 0.766 63.950 63.200 -0.027 0.000 1.150 25 S HN 0.379 nan 8.310 nan 0.000 0.478 26 F N 1.187 121.193 119.950 0.094 0.000 2.432 26 F HA 0.495 5.062 4.527 0.067 0.000 0.329 26 F C 0.953 176.806 175.800 0.087 0.000 1.076 26 F CA -0.601 57.469 58.000 0.117 0.000 1.018 26 F CB 0.733 39.812 39.000 0.131 0.000 1.201 26 F HN 0.508 nan 8.300 nan 0.000 0.489 27 D N 2.212 122.783 120.400 0.285 0.000 2.361 27 D HA 0.127 4.806 4.640 0.066 0.000 0.239 27 D C -2.118 174.260 176.300 0.131 0.000 1.200 27 D CA -0.611 53.480 54.000 0.152 0.000 0.915 27 D CB 0.342 41.215 40.800 0.122 0.000 1.170 27 D HN 0.152 nan 8.370 nan 0.000 0.444 28 P HA 0.204 nan 4.420 nan 0.000 0.274 28 P C -2.496 174.837 177.300 0.055 0.000 1.231 28 P CA -1.066 62.049 63.100 0.024 0.000 0.790 28 P CB -0.404 31.270 31.700 -0.045 0.000 0.951 29 P HA 0.033 nan 4.420 nan 0.000 0.263 29 P C -0.280 177.048 177.300 0.047 0.000 1.175 29 P CA 0.702 63.844 63.100 0.069 0.000 0.761 29 P CB 0.050 31.787 31.700 0.061 0.000 0.794 33 A N 0.071 122.912 122.820 0.036 0.000 2.312 33 A HA 0.657 5.017 4.320 0.066 0.000 0.326 33 A C 0.043 177.664 177.584 0.062 0.000 1.172 33 A CA -0.747 51.307 52.037 0.028 0.000 0.821 33 A CB 0.363 19.371 19.000 0.012 0.000 1.166 33 A HN 0.508 nan 8.150 nan 0.000 0.493 34 L N 1.337 122.594 121.223 0.057 0.000 2.461 34 L HA 0.364 4.744 4.340 0.066 0.000 0.272 34 L C 1.507 178.425 176.870 0.080 0.000 1.197 34 L CA 1.524 56.419 54.840 0.092 0.000 0.836 34 L CB 0.749 42.851 42.059 0.072 0.000 1.105 34 L HN 1.289 nan 8.230 nan 0.000 0.477 35 G N 1.288 110.149 108.800 0.103 0.000 2.179 35 G HA2 -0.260 3.740 3.960 0.066 0.000 0.260 35 G HA3 -0.260 3.740 3.960 0.066 0.000 0.260 35 G C 0.196 175.135 174.900 0.066 0.000 0.977 35 G CA 0.343 45.488 45.100 0.075 0.000 0.641 35 G HN 0.826 nan 8.290 nan 0.000 0.533 36 T N -1.224 113.378 114.554 0.080 0.000 2.907 36 T HA 0.776 5.166 4.350 0.066 0.000 0.292 36 T C -0.271 174.513 174.700 0.140 0.000 1.043 36 T CA -0.452 61.664 62.100 0.026 0.000 1.003 36 T CB 2.330 71.165 68.868 -0.054 0.000 1.084 36 T HN 1.399 nan 8.240 nan 0.000 0.483 37 F N -0.180 119.804 119.950 0.056 0.000 2.507 37 F HA 0.851 5.420 4.527 0.069 0.000 0.327 37 F C -0.299 175.556 175.800 0.093 0.000 1.068 37 F CA -1.138 56.938 58.000 0.126 0.000 0.965 37 F CB 1.335 40.395 39.000 0.099 0.000 1.192 37 F HN 0.544 nan 8.300 nan 0.000 0.476 38 S N 2.216 118.092 115.700 0.294 0.000 2.541 38 S HA 0.513 5.023 4.470 0.066 0.000 0.283 38 S C -0.654 174.052 174.600 0.178 0.000 1.196 38 S CA -0.842 57.411 58.200 0.089 0.000 1.062 38 S CB 1.122 64.321 63.200 -0.002 0.000 1.009 38 S HN 0.730 nan 8.310 nan 0.000 0.502 39 R N 2.264 122.731 120.500 -0.054 0.000 2.480 39 R HA 0.374 4.754 4.340 0.066 0.000 0.306 39 R C -1.897 174.145 176.300 -0.430 0.000 0.958 39 R CA -0.460 55.483 56.100 -0.260 0.000 0.861 39 R CB 0.741 30.941 30.300 -0.168 0.000 1.171 39 R HN 0.628 nan 8.270 nan 0.000 0.445 40 Y N 1.985 122.089 120.300 -0.327 0.000 2.330 40 Y HA 0.278 4.867 4.550 0.065 0.000 0.336 40 Y C 0.139 176.025 175.900 -0.024 0.000 1.036 40 Y CA -0.355 57.659 58.100 -0.144 0.000 1.125 40 Y CB 1.705 40.077 38.460 -0.147 0.000 1.194 40 Y HN 0.550 nan 8.280 nan 0.000 0.469 41 E N 1.758 122.043 120.200 0.141 0.000 2.248 41 E HA 0.666 5.056 4.350 0.066 0.000 0.267 41 E C -1.498 175.283 176.600 0.302 0.000 0.877 41 E CA -0.614 55.858 56.400 0.121 0.000 0.759 41 E CB 1.300 30.902 29.700 -0.164 0.000 1.182 41 E HN 0.574 nan 8.360 nan 0.000 0.418 42 S N 1.910 117.833 115.700 0.372 0.000 2.521 42 S HA 0.571 5.081 4.470 0.066 0.000 0.295 42 S C -0.951 173.866 174.600 0.362 0.000 1.098 42 S CA -0.769 57.667 58.200 0.393 0.000 0.999 42 S CB 1.775 65.312 63.200 0.562 0.000 1.034 42 S HN 0.643 nan 8.310 nan 0.000 0.483 43 T N -0.926 113.698 114.554 0.117 0.000 2.906 43 T HA 0.496 4.886 4.350 0.066 0.000 0.295 43 T C 0.768 174.857 174.700 -1.019 0.000 1.061 43 T CA -0.970 60.965 62.100 -0.276 0.000 1.000 43 T CB 1.691 70.484 68.868 -0.126 0.000 1.103 43 T HN 0.478 nan 8.240 nan 0.000 0.486 44 R N 1.030 120.509 120.500 -1.701 0.000 2.117 44 R HA -0.138 4.242 4.340 0.066 0.000 0.243 44 R C 2.287 178.247 176.300 -0.567 0.000 1.143 44 R CA 2.203 57.407 56.100 -1.494 0.000 0.968 44 R CB -0.626 28.920 30.300 -1.257 0.000 0.863 44 R HN 0.825 nan 8.270 nan 0.000 0.444 45 S N -1.778 113.696 115.700 -0.378 0.000 2.507 45 S HA 0.032 4.542 4.470 0.066 0.000 0.235 45 S C 1.301 175.817 174.600 -0.141 0.000 0.988 45 S CA 0.891 58.977 58.200 -0.189 0.000 0.944 45 S CB 0.451 63.581 63.200 -0.117 0.000 0.762 45 S HN 0.614 nan 8.310 nan 0.000 0.526 46 G N 0.443 109.148 108.800 -0.159 0.000 2.273 46 G HA2 -0.127 3.873 3.960 0.066 0.000 0.162 46 G HA3 -0.127 3.873 3.960 0.066 0.000 0.162 46 G C 0.010 174.875 174.900 -0.059 0.000 1.006 46 G CA -0.624 44.425 45.100 -0.086 0.000 0.704 46 G HN 0.480 nan 8.290 nan 0.000 0.487 47 R N 0.654 121.125 120.500 -0.047 0.000 2.537 47 R HA 0.467 4.847 4.340 0.066 0.000 0.280 47 R C -0.196 176.115 176.300 0.019 0.000 1.058 47 R CA 0.032 56.129 56.100 -0.005 0.000 1.057 47 R CB 0.384 30.699 30.300 0.025 0.000 0.973 47 R HN -0.019 nan 8.270 nan 0.000 0.438 48 R N 4.091 124.577 120.500 -0.022 0.000 2.407 48 R HA 0.175 4.555 4.340 0.066 0.000 0.298 48 R C 0.005 176.346 176.300 0.067 0.000 1.166 48 R CA -0.487 55.545 56.100 -0.114 0.000 1.006 48 R CB 0.962 31.007 30.300 -0.424 0.000 1.145 48 R HN 0.802 nan 8.270 nan 0.000 0.538 49 M N 0.793 120.552 119.600 0.264 0.000 2.206 49 M HA -0.258 4.262 4.480 0.066 0.000 0.197 49 M C -0.527 176.017 176.300 0.407 0.000 0.375 49 M CA 1.299 56.834 55.300 0.390 0.000 0.410 49 M CB -1.237 31.656 32.600 0.488 0.000 1.204 49 M HN 0.387 nan 8.290 nan 0.000 0.932 50 E N 0.953 121.280 120.200 0.211 0.000 2.316 50 E HA 0.357 4.747 4.350 0.066 0.000 0.275 50 E C -0.247 176.330 176.600 -0.038 0.000 1.029 50 E CA -0.615 55.840 56.400 0.093 0.000 0.871 50 E CB 1.182 30.898 29.700 0.028 0.000 1.022 50 E HN 0.262 nan 8.360 nan 0.000 0.418 51 L N 2.938 124.076 121.223 -0.140 0.000 2.305 51 L HA 0.247 4.627 4.340 0.066 0.000 0.281 51 L C -0.366 176.344 176.870 -0.267 0.000 1.085 51 L CA 0.379 54.961 54.840 -0.431 0.000 0.813 51 L CB 0.917 42.714 42.059 -0.437 0.000 1.157 51 L HN 0.630 nan 8.230 nan 0.000 0.436 52 S N 4.941 120.462 115.700 -0.299 0.000 2.685 52 S HA 0.856 5.366 4.470 0.066 0.000 0.282 52 S C -0.854 173.607 174.600 -0.232 0.000 1.159 52 S CA -1.087 56.992 58.200 -0.202 0.000 0.833 52 S CB 1.679 64.795 63.200 -0.141 0.000 1.151 52 S HN 0.569 nan 8.310 nan 0.000 0.485 53 M N 0.345 119.793 119.600 -0.254 0.000 2.631 53 M HA 0.770 5.290 4.480 0.066 0.000 0.288 53 M C -0.142 175.784 176.300 -0.624 0.000 1.260 53 M CA -0.456 54.597 55.300 -0.410 0.000 0.842 53 M CB 1.961 34.392 32.600 -0.282 0.000 1.743 53 M HN 1.139 nan 8.290 nan 0.000 0.461 54 G N 1.086 109.164 108.800 -1.204 0.000 2.684 54 G HA2 0.818 4.818 3.960 0.066 0.000 0.290 54 G HA3 0.818 4.818 3.960 0.066 0.000 0.290 54 G C -3.358 171.088 174.900 -0.757 0.000 1.425 54 G CA -0.934 43.502 45.100 -1.108 0.000 0.822 54 G HN 0.365 nan 8.290 nan 0.000 0.482 55 P HA 0.461 nan 4.420 nan 0.000 0.281 55 P C -0.501 176.914 177.300 0.193 0.000 1.249 55 P CA -0.446 62.649 63.100 -0.009 0.000 0.810 55 P CB 1.852 33.558 31.700 0.010 0.000 1.008 56 I N 2.989 123.643 120.570 0.140 0.000 2.312 56 I HA 0.145 4.355 4.170 0.066 0.000 0.290 56 I C 0.932 177.100 176.117 0.084 0.000 1.008 56 I CA -0.607 60.750 61.300 0.094 0.000 1.226 56 I CB 0.907 38.909 38.000 0.003 0.000 1.371 56 I HN 0.203 nan 8.210 nan 0.000 0.468 57 Q N 5.352 125.225 119.800 0.122 0.000 2.227 57 Q HA 0.407 4.787 4.340 0.066 0.000 0.245 57 Q C 0.684 176.816 176.000 0.220 0.000 0.926 57 Q CA -0.512 55.372 55.803 0.135 0.000 0.895 57 Q CB 1.521 30.321 28.738 0.103 0.000 1.230 57 Q HN 0.747 nan 8.270 nan 0.000 0.450 58 A N 2.676 125.595 122.820 0.164 0.000 1.968 58 A HA -0.076 4.284 4.320 0.066 0.000 0.217 58 A C 0.216 177.980 177.584 0.300 0.000 1.169 58 A CA 1.127 53.277 52.037 0.188 0.000 0.638 58 A CB -0.187 18.875 19.000 0.104 0.000 0.812 58 A HN 0.843 nan 8.150 nan 0.000 0.446 59 N N -2.374 116.419 118.700 0.154 0.000 2.380 59 N HA 0.581 5.361 4.740 0.066 0.000 0.290 59 N C -0.922 174.298 175.510 -0.484 0.000 1.236 59 N CA -0.668 52.345 53.050 -0.060 0.000 0.780 59 N CB 1.104 39.558 38.487 -0.056 0.000 1.438 59 N HN 0.383 nan 8.380 nan 0.000 0.491 60 H N -1.145 117.353 119.070 -0.953 0.000 2.954 60 H HA 0.629 5.215 4.556 0.051 0.000 0.361 60 H C -1.798 173.244 175.328 -0.476 0.000 1.122 60 H CA -0.357 55.156 56.048 -0.892 0.000 1.217 60 H CB 1.593 30.389 29.762 -1.610 0.000 1.776 60 H HN 0.560 nan 8.280 nan 0.000 0.533 61 T N 2.889 116.896 114.554 -0.913 0.000 2.909 61 T HA 0.751 5.141 4.350 0.066 0.000 0.299 61 T C -0.412 173.838 174.700 -0.750 0.000 1.073 61 T CA -0.257 61.421 62.100 -0.703 0.000 0.999 61 T CB 1.646 70.312 68.868 -0.336 0.000 1.098 61 T HN 1.132 nan 8.240 nan 0.000 0.477 62 G N 0.528 109.046 108.800 -0.470 0.000 2.353 62 G HA2 0.334 4.334 3.960 0.066 0.000 0.308 62 G HA3 0.334 4.334 3.960 0.066 0.000 0.308 62 G C -0.009 174.836 174.900 -0.091 0.000 1.418 62 G CA -0.086 44.870 45.100 -0.241 0.000 0.966 62 G HN 0.972 nan 8.290 nan 0.000 0.638 63 T N -1.430 113.106 114.554 -0.029 0.000 3.176 63 T HA 0.561 4.951 4.350 0.066 0.000 0.263 63 T C 1.253 175.974 174.700 0.035 0.000 1.021 63 T CA 0.937 63.043 62.100 0.010 0.000 0.905 63 T CB 0.540 69.407 68.868 -0.003 0.000 1.057 63 T HN 1.476 nan 8.240 nan 0.000 0.558 64 G N 1.586 110.421 108.800 0.058 0.000 2.653 64 G HA2 0.478 4.478 3.960 0.066 0.000 0.265 64 G HA3 0.478 4.478 3.960 0.066 0.000 0.265 64 G C -0.240 174.692 174.900 0.053 0.000 1.237 64 G CA -0.891 44.241 45.100 0.053 0.000 0.946 64 G HN 0.454 nan 8.290 nan 0.000 0.522 65 L N -0.340 120.896 121.223 0.022 0.000 2.559 65 L HA 0.379 4.759 4.340 0.066 0.000 0.274 65 L C -0.309 176.549 176.870 -0.020 0.000 1.205 65 L CA -0.161 54.681 54.840 0.004 0.000 0.907 65 L CB 0.552 42.606 42.059 -0.010 0.000 1.153 65 L HN 0.309 nan 8.230 nan 0.000 0.490 66 L N 6.296 127.507 121.223 -0.019 0.000 2.333 66 L HA 0.531 4.911 4.340 0.066 0.000 0.280 66 L C -1.192 175.651 176.870 -0.045 0.000 1.004 66 L CA -0.259 54.545 54.840 -0.059 0.000 0.820 66 L CB 1.466 43.507 42.059 -0.029 0.000 1.247 66 L HN 0.556 nan 8.230 nan 0.000 0.416 67 L N 4.988 126.167 121.223 -0.074 0.000 2.265 67 L HA 0.489 4.869 4.340 0.066 0.000 0.289 67 L C -0.310 176.526 176.870 -0.057 0.000 1.033 67 L CA -0.403 54.404 54.840 -0.054 0.000 0.814 67 L CB 1.319 43.342 42.059 -0.061 0.000 1.203 67 L HN 0.590 nan 8.230 nan 0.000 0.423 68 T N 4.064 118.601 114.554 -0.028 0.000 2.756 68 T HA 0.346 4.736 4.350 0.066 0.000 0.290 68 T C -0.087 174.613 174.700 0.000 0.000 0.985 68 T CA -0.487 61.595 62.100 -0.031 0.000 0.955 68 T CB 1.530 70.387 68.868 -0.018 0.000 0.930 68 T HN 0.244 nan 8.240 nan 0.000 0.451 69 L N 3.706 124.936 121.223 0.011 0.000 2.485 69 L HA 0.154 4.534 4.340 0.066 0.000 0.275 69 L C 0.277 177.168 176.870 0.035 0.000 1.207 69 L CA 0.718 55.590 54.840 0.053 0.000 0.855 69 L CB 0.379 42.503 42.059 0.109 0.000 1.114 69 L HN 0.633 nan 8.230 nan 0.000 0.485 70 Q N 6.592 126.421 119.800 0.049 0.000 2.700 70 Q HA 0.260 4.640 4.340 0.066 0.000 0.249 70 Q C -1.758 174.260 176.000 0.029 0.000 1.033 70 Q CA -1.529 54.296 55.803 0.038 0.000 0.804 70 Q CB 1.093 29.863 28.738 0.054 0.000 1.164 70 Q HN 0.514 nan 8.270 nan 0.000 0.500 71 P HA -0.151 nan 4.420 nan 0.000 0.223 71 P C 0.485 177.773 177.300 -0.020 0.000 1.151 71 P CA 1.057 64.160 63.100 0.004 0.000 0.787 71 P CB 0.528 32.232 31.700 0.006 0.000 0.788 72 E N -0.694 119.490 120.200 -0.027 0.000 2.481 72 E HA 0.010 4.399 4.350 0.066 0.000 0.195 72 E C 0.680 177.220 176.600 -0.100 0.000 1.047 72 E CA 0.480 56.850 56.400 -0.049 0.000 0.867 72 E CB -0.271 29.409 29.700 -0.033 0.000 0.858 72 E HN 0.365 nan 8.360 nan 0.000 0.513 73 Q N 1.767 121.498 119.800 -0.115 0.000 2.423 73 Q HA 0.144 4.524 4.340 0.066 0.000 0.235 73 Q C -0.304 175.410 176.000 -0.477 0.000 1.100 73 Q CA 0.036 55.682 55.803 -0.261 0.000 0.908 73 Q CB 0.705 29.387 28.738 -0.094 0.000 1.312 73 Q HN -0.113 nan 8.270 nan 0.000 0.497 74 K N 3.043 123.095 120.400 -0.579 0.000 2.206 74 K HA 0.492 4.852 4.320 0.066 0.000 0.264 74 K C -0.129 176.070 176.600 -0.669 0.000 0.967 74 K CA -0.276 55.749 56.287 -0.436 0.000 0.844 74 K CB 1.040 33.423 32.500 -0.195 0.000 1.099 74 K HN 0.215 nan 8.250 nan 0.000 0.441 75 F N 0.263 120.235 119.950 0.037 0.000 3.188 75 F HA 0.190 4.754 4.527 0.062 0.000 0.198 75 F C 1.071 176.911 175.800 0.067 0.000 1.589 75 F CA -0.718 57.317 58.000 0.059 0.000 0.914 75 F CB -0.220 38.790 39.000 0.017 0.000 1.928 75 F HN 0.302 nan 8.300 nan 0.000 0.334 76 Q N 2.370 122.347 119.800 0.295 0.000 2.354 76 Q HA 0.224 4.604 4.340 0.066 0.000 0.244 76 Q C -1.235 174.845 176.000 0.133 0.000 0.969 76 Q CA -0.177 55.738 55.803 0.187 0.000 0.885 76 Q CB 0.988 29.828 28.738 0.169 0.000 1.241 76 Q HN 0.465 nan 8.270 nan 0.000 0.461 77 K N 1.379 121.843 120.400 0.106 0.000 2.174 77 K HA 0.353 4.713 4.320 0.066 0.000 0.275 77 K C -0.506 176.131 176.600 0.062 0.000 1.015 77 K CA -0.690 55.643 56.287 0.077 0.000 0.933 77 K CB 1.457 33.996 32.500 0.065 0.000 1.025 77 K HN 0.423 nan 8.250 nan 0.000 0.463 78 V N 3.619 123.554 119.914 0.035 0.000 2.498 78 V HA 0.006 4.166 4.120 0.066 0.000 0.279 78 V C 1.247 177.308 176.094 -0.056 0.000 1.048 78 V CA -0.046 62.248 62.300 -0.009 0.000 0.967 78 V CB 1.225 33.059 31.823 0.018 0.000 0.988 78 V HN 0.747 nan 8.190 nan 0.000 0.473 79 K N 3.621 123.965 120.400 -0.094 0.000 2.067 79 K HA 0.357 4.716 4.320 0.066 0.000 0.203 79 K C 0.726 177.167 176.600 -0.265 0.000 1.048 79 K CA 1.483 57.660 56.287 -0.184 0.000 0.954 79 K CB -0.062 32.329 32.500 -0.181 0.000 0.737 79 K HN 1.011 nan 8.250 nan 0.000 0.444 80 G N -1.994 106.591 108.800 -0.359 0.000 2.291 80 G HA2 0.190 4.190 3.960 0.066 0.000 0.249 80 G HA3 0.190 4.190 3.960 0.066 0.000 0.249 80 G C -1.442 172.933 174.900 -0.875 0.000 1.340 80 G CA -0.682 44.136 45.100 -0.470 0.000 1.017 80 G HN 0.039 nan 8.290 nan 0.000 0.470 81 F N -0.072 119.819 119.950 -0.098 0.000 2.601 81 F HA 0.828 5.395 4.527 0.065 0.000 0.309 81 F C 0.767 176.288 175.800 -0.464 0.000 1.089 81 F CA 0.420 58.297 58.000 -0.205 0.000 0.940 81 F CB 2.296 41.196 39.000 -0.167 0.000 1.273 81 F HN 1.356 nan 8.300 nan 0.000 0.450 82 G N -0.099 108.382 108.800 -0.533 0.000 2.393 82 G HA2 0.593 4.593 3.960 0.066 0.000 0.264 82 G HA3 0.593 4.593 3.960 0.066 0.000 0.264 82 G C -1.254 173.233 174.900 -0.688 0.000 1.221 82 G CA 0.002 44.459 45.100 -1.071 0.000 0.912 82 G HN 1.131 nan 8.290 nan 0.000 0.483 83 G N -1.648 106.970 108.800 -0.303 0.000 2.682 83 G HA2 0.784 4.784 3.960 0.066 0.000 0.303 83 G HA3 0.784 4.784 3.960 0.066 0.000 0.303 83 G C -1.228 173.718 174.900 0.077 0.000 1.341 83 G CA 0.497 45.562 45.100 -0.059 0.000 0.784 83 G HN 1.803 nan 8.290 nan 0.000 0.497 84 A N -0.365 122.507 122.820 0.087 0.000 2.304 84 A HA 0.650 5.010 4.320 0.066 0.000 0.323 84 A C -0.247 177.352 177.584 0.024 0.000 1.195 84 A CA -0.608 51.505 52.037 0.126 0.000 0.826 84 A CB 1.343 20.488 19.000 0.241 0.000 1.184 84 A HN 0.731 nan 8.150 nan 0.000 0.496 85 M N 3.961 123.617 119.600 0.094 0.000 3.176 85 M HA 0.206 4.725 4.480 0.066 0.000 0.284 85 M C 0.668 176.988 176.300 0.033 0.000 1.392 85 M CA -0.039 55.301 55.300 0.068 0.000 1.520 85 M CB -0.778 31.893 32.600 0.118 0.000 1.100 85 M HN 0.762 nan 8.290 nan 0.000 0.555 86 T N -1.351 113.139 114.554 -0.107 0.000 2.788 86 T HA 0.240 4.630 4.350 0.066 0.000 0.287 86 T C 0.847 175.520 174.700 -0.044 0.000 1.007 86 T CA -0.691 61.318 62.100 -0.151 0.000 1.005 86 T CB 0.693 69.317 68.868 -0.406 0.000 1.012 86 T HN 0.474 nan 8.240 nan 0.000 0.530 87 D N 0.904 121.304 120.400 -0.000 0.000 2.133 87 D HA -0.101 4.579 4.640 0.066 0.000 0.195 87 D C 2.330 178.652 176.300 0.038 0.000 0.997 87 D CA 1.786 55.815 54.000 0.049 0.000 0.840 87 D CB -0.816 40.037 40.800 0.088 0.000 0.947 87 D HN 0.738 nan 8.370 nan 0.000 0.452 88 A N 0.989 123.834 122.820 0.041 0.000 1.902 88 A HA -0.021 4.339 4.320 0.066 0.000 0.217 88 A C 2.333 179.921 177.584 0.006 0.000 1.181 88 A CA 2.259 54.342 52.037 0.076 0.000 0.623 88 A CB -0.772 18.376 19.000 0.246 0.000 0.818 88 A HN 0.238 nan 8.150 nan 0.000 0.443 89 A N 0.012 122.788 122.820 -0.073 0.000 1.883 89 A HA 0.114 4.473 4.320 0.066 0.000 0.217 89 A C 2.549 180.130 177.584 -0.006 0.000 1.186 89 A CA 2.352 54.353 52.037 -0.060 0.000 0.624 89 A CB -1.197 17.744 19.000 -0.099 0.000 0.822 89 A HN 1.129 nan 8.150 nan 0.000 0.444 90 A N -0.300 122.524 122.820 0.007 0.000 1.892 90 A HA -0.139 4.220 4.320 0.066 0.000 0.218 90 A C 2.219 179.814 177.584 0.018 0.000 1.188 90 A CA 1.719 53.769 52.037 0.021 0.000 0.631 90 A CB -0.722 18.299 19.000 0.034 0.000 0.822 90 A HN 0.492 nan 8.150 nan 0.000 0.447 91 L N -0.417 120.819 121.223 0.022 0.000 2.017 91 L HA -0.221 4.159 4.340 0.066 0.000 0.208 91 L C 2.509 179.389 176.870 0.017 0.000 1.073 91 L CA 1.384 56.238 54.840 0.023 0.000 0.745 91 L CB -0.626 41.454 42.059 0.036 0.000 0.894 91 L HN 0.441 nan 8.230 nan 0.000 0.432 92 N N 0.290 118.999 118.700 0.015 0.000 2.084 92 N HA -0.152 4.627 4.740 0.066 0.000 0.190 92 N C 1.934 177.437 175.510 -0.011 0.000 1.030 92 N CA 1.506 54.560 53.050 0.007 0.000 0.849 92 N CB -0.194 38.298 38.487 0.008 0.000 1.012 92 N HN 0.305 nan 8.380 nan 0.000 0.423 93 I N 1.253 121.813 120.570 -0.017 0.000 2.163 93 I HA -0.247 3.963 4.170 0.066 0.000 0.243 93 I C 1.961 178.061 176.117 -0.028 0.000 1.085 93 I CA 1.040 62.316 61.300 -0.040 0.000 1.347 93 I CB -0.221 37.769 38.000 -0.017 0.000 1.044 93 I HN 0.046 nan 8.210 nan 0.000 0.408 94 L N 0.289 121.508 121.223 -0.008 0.000 2.478 94 L HA -0.020 4.360 4.340 0.066 0.000 0.223 94 L C 2.528 179.399 176.870 0.002 0.000 1.140 94 L CA 0.436 55.276 54.840 -0.002 0.000 0.842 94 L CB -0.444 41.617 42.059 0.005 0.000 0.953 94 L HN 0.205 nan 8.230 nan 0.000 0.452 95 A N -0.249 122.572 122.820 0.002 0.000 2.119 95 A HA 0.081 4.441 4.320 0.066 0.000 0.217 95 A C 1.145 178.734 177.584 0.008 0.000 1.153 95 A CA 0.332 52.373 52.037 0.007 0.000 0.692 95 A CB -0.270 18.736 19.000 0.009 0.000 0.799 95 A HN 0.248 nan 8.150 nan 0.000 0.458 96 L N 0.966 122.191 121.223 0.004 0.000 2.436 96 L HA 0.211 4.591 4.340 0.066 0.000 0.265 96 L C 1.118 177.998 176.870 0.018 0.000 1.168 96 L CA -0.413 54.437 54.840 0.017 0.000 0.815 96 L CB 0.984 43.051 42.059 0.014 0.000 1.109 96 L HN 0.374 nan 8.230 nan 0.000 0.462 97 S N 1.198 116.915 115.700 0.028 0.000 2.568 97 S HA 0.109 4.619 4.470 0.066 0.000 0.282 97 S C -1.881 172.735 174.600 0.026 0.000 1.338 97 S CA -0.971 57.245 58.200 0.025 0.000 1.045 97 S CB 0.794 64.011 63.200 0.028 0.000 0.873 97 S HN 0.422 nan 8.310 nan 0.000 0.516 98 P HA -0.017 nan 4.420 nan 0.000 0.216 98 P C -1.571 175.746 177.300 0.028 0.000 1.150 98 P CA 1.173 64.284 63.100 0.019 0.000 0.843 98 P CB -1.067 30.642 31.700 0.015 0.000 0.787 99 P HA -0.136 nan 4.420 nan 0.000 0.217 99 P C 1.416 178.760 177.300 0.073 0.000 1.150 99 P CA 1.822 64.950 63.100 0.047 0.000 0.832 99 P CB -0.591 31.136 31.700 0.044 0.000 0.787 100 A N -0.389 122.486 122.820 0.091 0.000 1.930 100 A HA -0.229 4.131 4.320 0.066 0.000 0.217 100 A C 2.240 179.873 177.584 0.081 0.000 1.175 100 A CA 1.358 53.500 52.037 0.175 0.000 0.627 100 A CB -1.262 17.852 19.000 0.191 0.000 0.815 100 A HN 0.157 nan 8.150 nan 0.000 0.443 101 Q N -0.128 119.674 119.800 0.003 0.000 2.077 101 Q HA -0.217 4.162 4.340 0.066 0.000 0.206 101 Q C 1.819 177.792 176.000 -0.046 0.000 0.989 101 Q CA 1.660 57.427 55.803 -0.059 0.000 0.853 101 Q CB -0.273 28.453 28.738 -0.021 0.000 0.907 101 Q HN 0.626 nan 8.270 nan 0.000 0.418 102 N N 0.468 119.173 118.700 0.009 0.000 2.120 102 N HA -0.104 4.675 4.740 0.066 0.000 0.188 102 N C 1.798 177.333 175.510 0.042 0.000 1.024 102 N CA 0.971 54.039 53.050 0.031 0.000 0.852 102 N CB -0.227 38.285 38.487 0.041 0.000 1.003 102 N HN 0.221 nan 8.380 nan 0.000 0.424 103 L N 0.548 121.815 121.223 0.072 0.000 2.141 103 L HA -0.072 4.308 4.340 0.066 0.000 0.209 103 L C 2.346 179.261 176.870 0.074 0.000 1.094 103 L CA 0.572 55.495 54.840 0.138 0.000 0.763 103 L CB -0.338 41.878 42.059 0.261 0.000 0.908 103 L HN 0.167 nan 8.230 nan 0.000 0.437 104 L N -0.260 120.802 121.223 -0.269 0.000 2.027 104 L HA -0.208 4.172 4.340 0.066 0.000 0.206 104 L C 2.498 179.246 176.870 -0.205 0.000 1.074 104 L CA 1.323 55.755 54.840 -0.681 0.000 0.745 104 L CB -0.057 41.346 42.059 -1.095 0.000 0.898 104 L HN 0.173 nan 8.230 nan 0.000 0.433 105 L N -0.257 120.955 121.223 -0.019 0.000 2.046 105 L HA -0.240 4.140 4.340 0.066 0.000 0.208 105 L C 2.742 179.768 176.870 0.260 0.000 1.077 105 L CA 1.271 56.246 54.840 0.226 0.000 0.747 105 L CB -0.621 41.539 42.059 0.169 0.000 0.896 105 L HN 0.243 nan 8.230 nan 0.000 0.432 106 K N -0.184 120.298 120.400 0.136 0.000 2.026 106 K HA -0.134 4.226 4.320 0.066 0.000 0.208 106 K C 2.319 178.983 176.600 0.106 0.000 1.048 106 K CA 1.590 57.956 56.287 0.132 0.000 0.929 106 K CB -0.160 32.400 32.500 0.099 0.000 0.713 106 K HN 0.204 nan 8.250 nan 0.000 0.439 107 S N 0.395 116.118 115.700 0.039 0.000 2.372 107 S HA -0.201 4.309 4.470 0.066 0.000 0.227 107 S C 1.899 176.532 174.600 0.056 0.000 1.044 107 S CA 1.591 59.804 58.200 0.022 0.000 1.050 107 S CB -0.443 62.605 63.200 -0.252 0.000 0.901 107 S HN 0.360 nan 8.310 nan 0.000 0.447 108 Y N -1.016 119.194 120.300 -0.149 0.000 2.176 108 Y HA 0.051 4.641 4.550 0.066 0.000 0.291 108 Y C 1.830 177.324 175.900 -0.676 0.000 1.122 108 Y CA 0.792 58.455 58.100 -0.727 0.000 1.128 108 Y CB -0.044 37.764 38.460 -1.086 0.000 1.005 108 Y HN 0.204 nan 8.280 nan 0.000 0.509 109 F N -1.805 118.217 119.950 0.121 0.000 2.731 109 F HA 0.144 4.711 4.527 0.067 0.000 0.298 109 F C 1.169 177.015 175.800 0.075 0.000 1.106 109 F CA -0.213 57.856 58.000 0.114 0.000 1.329 109 F CB 0.418 39.487 39.000 0.115 0.000 1.100 109 F HN -0.251 nan 8.300 nan 0.000 0.592 110 S N 0.083 115.901 115.700 0.197 0.000 2.646 110 S HA 0.123 4.633 4.470 0.066 0.000 0.276 110 S C 1.288 175.930 174.600 0.069 0.000 1.222 110 S CA -0.556 57.723 58.200 0.132 0.000 1.014 110 S CB 0.890 64.163 63.200 0.122 0.000 0.991 110 S HN 0.074 nan 8.310 nan 0.000 0.533 111 E N 2.001 122.228 120.200 0.044 0.000 2.338 111 E HA -0.085 4.305 4.350 0.066 0.000 0.197 111 E C 1.223 177.818 176.600 -0.007 0.000 1.007 111 E CA 0.945 57.339 56.400 -0.010 0.000 0.849 111 E CB -0.028 29.670 29.700 -0.002 0.000 0.774 111 E HN 0.720 nan 8.360 nan 0.000 0.506 112 E N -0.119 120.121 120.200 0.067 0.000 2.481 112 E HA 0.062 4.452 4.350 0.066 0.000 0.195 112 E C 1.208 177.968 176.600 0.266 0.000 1.047 112 E CA 0.355 56.844 56.400 0.149 0.000 0.867 112 E CB 0.418 30.196 29.700 0.130 0.000 0.858 112 E HN 0.112 nan 8.360 nan 0.000 0.513 113 G N 1.432 110.334 108.800 0.170 0.000 3.310 113 G HA2 0.306 4.306 3.960 0.066 0.000 0.176 113 G HA3 0.306 4.306 3.960 0.066 0.000 0.176 113 G C 0.698 175.627 174.900 0.047 0.000 1.307 113 G CA -0.414 44.820 45.100 0.222 0.000 0.935 113 G HN 0.191 nan 8.290 nan 0.000 0.628 114 I N -2.269 118.253 120.570 -0.079 0.000 3.974 114 I HA 0.505 4.714 4.170 0.066 0.000 0.334 114 I C 1.170 177.158 176.117 -0.215 0.000 1.437 114 I CA 0.326 61.453 61.300 -0.288 0.000 1.113 114 I CB 0.474 38.179 38.000 -0.491 0.000 1.063 114 I HN 0.763 nan 8.210 nan 0.000 0.400 115 G N 1.345 110.078 108.800 -0.112 0.000 2.283 115 G HA2 -0.331 3.669 3.960 0.066 0.000 0.280 115 G HA3 -0.331 3.669 3.960 0.066 0.000 0.280 115 G C 0.072 175.046 174.900 0.124 0.000 1.029 115 G CA 0.016 45.106 45.100 -0.016 0.000 0.840 115 G HN 0.670 nan 8.290 nan 0.000 0.505 116 Y N 0.295 120.536 120.300 -0.100 0.000 2.895 116 Y HA -0.054 4.536 4.550 0.066 0.000 0.334 116 Y C 1.717 177.681 175.900 0.106 0.000 1.261 116 Y CA 0.619 58.676 58.100 -0.071 0.000 1.560 116 Y CB 0.478 38.687 38.460 -0.418 0.000 1.253 116 Y HN 0.495 nan 8.280 nan 0.000 0.582 117 N N 3.301 122.114 118.700 0.189 0.000 2.194 117 N HA 0.173 4.953 4.740 0.066 0.000 0.231 117 N C -0.847 174.695 175.510 0.054 0.000 1.247 117 N CA 0.147 53.275 53.050 0.129 0.000 0.884 117 N CB 0.445 38.956 38.487 0.040 0.000 1.146 117 N HN 0.484 nan 8.380 nan 0.000 0.516 118 I N 1.177 121.785 120.570 0.064 0.000 2.582 118 I HA 0.473 4.683 4.170 0.066 0.000 0.292 118 I C -0.876 175.328 176.117 0.144 0.000 1.066 118 I CA -0.840 60.489 61.300 0.048 0.000 1.053 118 I CB 2.389 40.396 38.000 0.012 0.000 1.241 118 I HN -0.161 nan 8.210 nan 0.000 0.421 119 I N 5.269 125.945 120.570 0.176 0.000 2.468 119 I HA 0.412 4.622 4.170 0.066 0.000 0.285 119 I C -0.214 176.047 176.117 0.240 0.000 1.039 119 I CA -0.576 60.850 61.300 0.210 0.000 1.074 119 I CB 1.909 40.013 38.000 0.173 0.000 1.228 119 I HN 0.524 nan 8.210 nan 0.000 0.436 120 R N 5.384 126.041 120.500 0.261 0.000 2.340 120 R HA 0.591 4.971 4.340 0.066 0.000 0.300 120 R C -1.319 175.185 176.300 0.340 0.000 1.069 120 R CA -0.294 56.005 56.100 0.331 0.000 0.984 120 R CB 1.093 31.606 30.300 0.355 0.000 1.003 120 R HN 0.466 nan 8.270 nan 0.000 0.459 121 V N 7.633 127.780 119.914 0.387 0.000 2.376 121 V HA 0.322 4.482 4.120 0.066 0.000 0.287 121 V C -2.196 174.083 176.094 0.308 0.000 1.015 121 V CA -2.235 60.285 62.300 0.366 0.000 0.834 121 V CB 1.513 33.628 31.823 0.487 0.000 1.001 121 V HN 0.846 nan 8.190 nan 0.000 0.428 122 P HA 0.178 nan 4.420 nan 0.000 0.265 122 P C -0.225 177.126 177.300 0.084 0.000 1.193 122 P CA 0.100 63.329 63.100 0.215 0.000 0.765 122 P CB 0.367 31.999 31.700 -0.113 0.000 0.823 123 M N 3.389 122.961 119.600 -0.047 0.000 2.383 123 M HA 0.387 4.907 4.480 0.066 0.000 0.337 123 M C 0.823 176.990 176.300 -0.222 0.000 1.422 123 M CA 0.317 55.459 55.300 -0.263 0.000 1.333 123 M CB -0.678 31.584 32.600 -0.564 0.000 1.488 123 M HN 0.603 nan 8.290 nan 0.000 0.454 124 A N 1.793 124.404 122.820 -0.348 0.000 5.818 124 A HA -0.171 4.188 4.320 0.066 0.000 0.265 124 A C 0.299 177.591 177.584 -0.487 0.000 2.155 124 A CA 0.453 52.126 52.037 -0.607 0.000 0.711 124 A CB -1.761 16.638 19.000 -1.002 0.000 1.085 124 A HN 0.886 nan 8.150 nan 0.000 0.357 125 S N -0.221 114.963 115.700 -0.859 0.000 2.610 125 S HA 0.668 5.178 4.470 0.066 0.000 0.273 125 S C 0.454 174.805 174.600 -0.416 0.000 1.274 125 S CA 0.234 57.987 58.200 -0.745 0.000 1.023 125 S CB 0.799 63.355 63.200 -1.074 0.000 0.962 125 S HN 2.548 nan 8.310 nan 0.000 0.523 126 C N 0.356 119.429 119.300 -0.379 0.000 3.295 126 C HA 0.642 5.142 4.460 0.066 0.000 0.370 126 C C 1.416 176.366 174.990 -0.066 0.000 1.974 126 C CA 0.007 58.780 59.018 -0.409 0.000 1.282 126 C CB 0.575 27.490 27.740 -1.375 0.000 2.380 126 C HN 0.888 nan 8.230 nan 0.000 0.443 127 D N 0.831 121.086 120.400 -0.241 0.000 2.149 127 D HA -0.163 4.517 4.640 0.066 0.000 0.198 127 D C 0.747 176.790 176.300 -0.430 0.000 0.990 127 D CA 1.380 55.057 54.000 -0.538 0.000 0.839 127 D CB -0.542 39.304 40.800 -1.590 0.000 0.948 127 D HN 0.611 nan 8.370 nan 0.000 0.460 128 F N 1.240 121.096 119.950 -0.157 0.000 2.783 128 F HA 0.260 4.828 4.527 0.067 0.000 0.338 128 F C 0.350 176.087 175.800 -0.106 0.000 1.178 128 F CA 0.004 57.914 58.000 -0.149 0.000 1.343 128 F CB -0.027 38.787 39.000 -0.310 0.000 1.496 128 F HN -0.249 nan 8.300 nan 0.000 0.583 129 S N 0.361 116.086 115.700 0.042 0.000 2.569 129 S HA 0.429 4.939 4.470 0.066 0.000 0.280 129 S C 0.902 175.562 174.600 0.101 0.000 1.111 129 S CA -0.752 57.481 58.200 0.055 0.000 0.887 129 S CB 1.822 64.993 63.200 -0.047 0.000 1.095 129 S HN 0.402 nan 8.310 nan 0.000 0.476 130 I N -0.520 120.099 120.570 0.082 0.000 3.603 130 I HA 0.324 4.534 4.170 0.066 0.000 0.297 130 I C 0.595 176.720 176.117 0.014 0.000 1.269 130 I CA 0.003 61.355 61.300 0.086 0.000 1.361 130 I CB 0.013 38.060 38.000 0.078 0.000 1.063 130 I HN 0.478 nan 8.210 nan 0.000 0.448 131 R N 0.580 121.068 120.500 -0.021 0.000 2.888 131 R HA 0.606 4.986 4.340 0.066 0.000 0.266 131 R C -1.155 175.009 176.300 -0.226 0.000 1.020 131 R CA -0.619 55.424 56.100 -0.096 0.000 0.963 131 R CB 1.262 31.566 30.300 0.005 0.000 1.197 131 R HN -0.130 nan 8.270 nan 0.000 0.481 132 T N 2.720 117.057 114.554 -0.363 0.000 2.743 132 T HA 0.449 4.839 4.350 0.066 0.000 0.292 132 T C -1.339 173.254 174.700 -0.178 0.000 0.972 132 T CA -0.420 61.371 62.100 -0.516 0.000 0.967 132 T CB 0.175 68.596 68.868 -0.745 0.000 0.926 132 T HN 0.564 nan 8.240 nan 0.000 0.459 133 Y N -0.196 119.958 120.300 -0.244 0.000 2.592 133 Y HA 0.729 5.319 4.550 0.066 0.000 0.334 133 Y C -0.198 175.596 175.900 -0.177 0.000 1.136 133 Y CA -1.426 56.576 58.100 -0.164 0.000 1.042 133 Y CB 0.739 39.123 38.460 -0.126 0.000 1.325 133 Y HN 0.596 nan 8.280 nan 0.000 0.457 134 T N -2.355 112.166 114.554 -0.055 0.000 2.841 134 T HA 0.410 4.800 4.350 0.066 0.000 0.276 134 T C -0.178 174.543 174.700 0.034 0.000 1.003 134 T CA -0.588 61.451 62.100 -0.103 0.000 0.995 134 T CB 0.858 69.723 68.868 -0.006 0.000 1.260 134 T HN 0.770 nan 8.240 nan 0.000 0.581 135 Y N -0.217 120.152 120.300 0.116 0.000 2.523 135 Y HA 0.471 5.060 4.550 0.066 0.000 0.279 135 Y C 1.640 177.365 175.900 -0.292 0.000 1.139 135 Y CA -0.231 57.651 58.100 -0.363 0.000 1.296 135 Y CB 0.372 38.076 38.460 -1.259 0.000 1.045 135 Y HN 0.745 nan 8.280 nan 0.000 0.538 136 A N -0.238 122.752 122.820 0.283 0.000 3.317 136 A HA 0.261 4.620 4.320 0.066 0.000 0.307 136 A C -0.193 177.684 177.584 0.488 0.000 1.003 136 A CA -0.461 51.824 52.037 0.413 0.000 0.882 136 A CB -0.161 19.250 19.000 0.686 0.000 1.136 136 A HN 0.122 nan 8.150 nan 0.000 0.488 137 D N 0.392 120.984 120.400 0.320 0.000 2.323 137 D HA -0.003 4.677 4.640 0.066 0.000 0.209 137 D C 0.393 176.854 176.300 0.268 0.000 0.973 137 D CA 0.989 55.171 54.000 0.304 0.000 0.874 137 D CB 0.286 41.186 40.800 0.167 0.000 0.930 137 D HN 0.408 nan 8.370 nan 0.000 0.521 138 T N 3.685 118.341 114.554 0.169 0.000 2.829 138 T HA 0.132 4.521 4.350 0.066 0.000 0.293 138 T C -2.369 172.136 174.700 -0.325 0.000 0.970 138 T CA -1.000 61.088 62.100 -0.020 0.000 1.168 138 T CB 1.173 70.031 68.868 -0.016 0.000 0.911 138 T HN -0.025 nan 8.240 nan 0.000 0.535 139 P HA 0.155 nan 4.420 nan 0.000 0.269 139 P C 0.158 176.746 177.300 -1.188 0.000 1.209 139 P CA 0.003 62.564 63.100 -0.899 0.000 0.776 139 P CB 0.293 31.792 31.700 -0.336 0.000 0.876 140 D N -0.740 118.513 120.400 -1.911 0.000 2.911 140 D HA -0.194 4.486 4.640 0.066 0.000 0.227 140 D C -0.096 175.478 176.300 -1.210 0.000 1.164 140 D CA 1.121 54.301 54.000 -1.367 0.000 0.782 140 D CB -1.807 38.764 40.800 -0.381 0.000 1.094 140 D HN 0.470 nan 8.370 nan 0.000 0.425 141 D N -0.607 118.889 120.400 -1.507 0.000 2.619 141 D HA 0.125 4.804 4.640 0.066 0.000 0.224 141 D C 0.990 177.178 176.300 -0.186 0.000 1.133 141 D CA -0.279 53.394 54.000 -0.547 0.000 1.017 141 D CB -0.743 39.911 40.800 -0.242 0.000 1.077 141 D HN 0.128 nan 8.370 nan 0.000 0.503 142 F N 0.950 120.915 119.950 0.027 0.000 2.269 142 F HA -0.097 4.470 4.527 0.066 0.000 0.301 142 F C 2.817 178.701 175.800 0.139 0.000 1.082 142 F CA 1.458 59.594 58.000 0.227 0.000 1.360 142 F CB -0.459 38.618 39.000 0.128 0.000 1.041 142 F HN 0.434 nan 8.300 nan 0.000 0.512 143 Q N 0.519 120.386 119.800 0.112 0.000 2.451 143 Q HA 0.215 4.595 4.340 0.066 0.000 0.206 143 Q C 1.250 177.211 176.000 -0.066 0.000 0.947 143 Q CA 0.769 56.512 55.803 -0.101 0.000 0.937 143 Q CB -0.902 27.516 28.738 -0.533 0.000 1.025 143 Q HN 0.618 nan 8.270 nan 0.000 0.511 144 L N -0.367 120.915 121.223 0.097 0.000 3.634 144 L HA -0.328 4.052 4.340 0.066 0.000 0.423 144 L C 1.035 178.063 176.870 0.263 0.000 1.253 144 L CA 0.607 55.609 54.840 0.269 0.000 0.885 144 L CB -2.440 39.823 42.059 0.341 0.000 1.789 144 L HN 0.714 nan 8.230 nan 0.000 0.904 145 H N -0.418 118.765 119.070 0.189 0.000 2.457 145 H HA -0.063 4.533 4.556 0.066 0.000 0.294 145 H C 1.452 176.874 175.328 0.156 0.000 1.064 145 H CA 1.616 57.750 56.048 0.143 0.000 1.330 145 H CB 0.135 29.955 29.762 0.097 0.000 1.395 145 H HN 0.638 nan 8.280 nan 0.000 0.541 146 N N 0.037 118.911 118.700 0.290 0.000 2.214 146 N HA 0.044 4.824 4.740 0.066 0.000 0.214 146 N C -0.623 175.040 175.510 0.254 0.000 1.132 146 N CA -0.318 52.867 53.050 0.225 0.000 0.856 146 N CB 0.368 38.949 38.487 0.156 0.000 1.020 146 N HN 0.136 nan 8.380 nan 0.000 0.509 147 F N 2.211 122.269 119.950 0.180 0.000 2.590 147 F HA 0.065 4.632 4.527 0.066 0.000 0.389 147 F C 0.466 176.327 175.800 0.101 0.000 1.049 147 F CA 0.326 58.417 58.000 0.153 0.000 1.199 147 F CB 0.363 39.421 39.000 0.097 0.000 1.058 147 F HN -0.118 nan 8.300 nan 0.000 0.556 148 S N 6.629 122.231 115.700 -0.164 0.000 2.533 148 S HA 0.502 5.012 4.470 0.066 0.000 0.271 148 S C -1.142 173.346 174.600 -0.188 0.000 1.143 148 S CA -1.003 57.175 58.200 -0.037 0.000 0.891 148 S CB 0.877 64.099 63.200 0.036 0.000 1.105 148 S HN 0.645 nan 8.310 nan 0.000 0.468 149 L N 5.348 126.500 121.223 -0.117 0.000 2.361 149 L HA 0.410 4.790 4.340 0.066 0.000 0.278 149 L C -1.628 175.234 176.870 -0.012 0.000 1.113 149 L CA -1.447 53.325 54.840 -0.114 0.000 0.849 149 L CB 0.634 42.599 42.059 -0.158 0.000 1.155 149 L HN 0.579 nan 8.230 nan 0.000 0.452 150 P HA 0.145 nan 4.420 nan 0.000 0.293 150 P C 0.127 177.381 177.300 -0.076 0.000 1.304 150 P CA -0.497 62.565 63.100 -0.063 0.000 0.767 150 P CB 0.890 32.466 31.700 -0.207 0.000 1.247 151 E N -0.266 119.874 120.200 -0.100 0.000 2.209 151 E HA -0.217 4.172 4.350 0.066 0.000 0.196 151 E C 1.612 178.173 176.600 -0.065 0.000 0.993 151 E CA 1.343 57.698 56.400 -0.076 0.000 0.819 151 E CB -0.201 29.459 29.700 -0.068 0.000 0.745 151 E HN 0.478 nan 8.360 nan 0.000 0.477 152 E N 0.837 120.981 120.200 -0.093 0.000 2.171 152 E HA -0.187 4.202 4.350 0.066 0.000 0.197 152 E C 1.524 178.162 176.600 0.063 0.000 0.997 152 E CA 1.300 57.689 56.400 -0.019 0.000 0.810 152 E CB 0.038 29.722 29.700 -0.027 0.000 0.738 152 E HN 0.308 nan 8.360 nan 0.000 0.467 153 D N -0.962 119.481 120.400 0.072 0.000 2.214 153 D HA -0.062 4.617 4.640 0.066 0.000 0.217 153 D C 2.118 178.343 176.300 -0.124 0.000 0.973 153 D CA 1.851 55.885 54.000 0.057 0.000 0.880 153 D CB -0.263 40.609 40.800 0.120 0.000 1.031 153 D HN 0.302 nan 8.370 nan 0.000 0.468 154 T N -0.359 114.097 114.554 -0.163 0.000 2.867 154 T HA -0.044 4.346 4.350 0.066 0.000 0.268 154 T C 1.686 176.339 174.700 -0.078 0.000 1.057 154 T CA 0.785 62.767 62.100 -0.198 0.000 1.136 154 T CB 0.122 68.922 68.868 -0.113 0.000 0.874 154 T HN -0.098 nan 8.240 nan 0.000 0.466 155 K N 0.380 120.752 120.400 -0.047 0.000 2.335 155 K HA 0.406 4.765 4.320 0.066 0.000 0.195 155 K C 2.049 178.642 176.600 -0.011 0.000 1.058 155 K CA 0.262 56.536 56.287 -0.021 0.000 0.988 155 K CB 0.146 32.635 32.500 -0.019 0.000 0.880 155 K HN 0.394 nan 8.250 nan 0.000 0.513 156 L N 0.158 121.377 121.223 -0.008 0.000 2.630 156 L HA 0.122 4.502 4.340 0.066 0.000 0.180 156 L C 2.201 179.084 176.870 0.021 0.000 1.221 156 L CA 0.261 55.108 54.840 0.011 0.000 0.853 156 L CB -0.481 41.590 42.059 0.019 0.000 1.172 156 L HN -0.088 nan 8.230 nan 0.000 0.508 157 K N 0.697 121.124 120.400 0.045 0.000 2.002 157 K HA -0.097 4.262 4.320 0.066 0.000 0.209 157 K C 2.035 178.657 176.600 0.037 0.000 1.048 157 K CA 1.480 57.815 56.287 0.080 0.000 0.930 157 K CB -0.157 32.453 32.500 0.184 0.000 0.714 157 K HN 0.158 nan 8.250 nan 0.000 0.438 158 I N 0.783 121.330 120.570 -0.038 0.000 2.142 158 I HA -0.192 4.018 4.170 0.066 0.000 0.240 158 I C -1.037 175.078 176.117 -0.002 0.000 1.078 158 I CA 1.087 62.314 61.300 -0.122 0.000 1.343 158 I CB -0.811 36.993 38.000 -0.327 0.000 1.046 158 I HN 0.078 nan 8.210 nan 0.000 0.405 159 P HA -0.157 nan 4.420 nan 0.000 0.218 159 P C 1.877 179.208 177.300 0.050 0.000 1.148 159 P CA 1.412 64.561 63.100 0.082 0.000 0.822 159 P CB 0.029 31.752 31.700 0.037 0.000 0.784 160 L N -1.620 119.610 121.223 0.012 0.000 2.109 160 L HA -0.110 4.270 4.340 0.066 0.000 0.207 160 L C 2.329 179.155 176.870 -0.073 0.000 1.086 160 L CA 1.118 55.950 54.840 -0.013 0.000 0.760 160 L CB -0.584 41.476 42.059 0.002 0.000 0.910 160 L HN -0.056 nan 8.230 nan 0.000 0.437 161 I N -1.154 119.362 120.570 -0.090 0.000 2.202 161 I HA -0.314 3.896 4.170 0.066 0.000 0.242 161 I C 2.616 178.604 176.117 -0.215 0.000 1.091 161 I CA 1.016 62.205 61.300 -0.186 0.000 1.368 161 I CB -0.519 37.383 38.000 -0.163 0.000 1.058 161 I HN 0.293 nan 8.210 nan 0.000 0.410 162 H N 1.096 120.108 119.070 -0.097 0.000 2.353 162 H HA -0.161 4.435 4.556 0.066 0.000 0.298 162 H C 2.504 177.777 175.328 -0.091 0.000 1.103 162 H CA 1.625 57.623 56.048 -0.084 0.000 1.293 162 H CB -0.238 29.490 29.762 -0.057 0.000 1.372 162 H HN 0.314 nan 8.280 nan 0.000 0.501 163 R N 0.217 120.736 120.500 0.032 0.000 2.081 163 R HA -0.068 4.312 4.340 0.066 0.000 0.235 163 R C 2.622 178.879 176.300 -0.073 0.000 1.131 163 R CA 1.073 57.167 56.100 -0.010 0.000 0.960 163 R CB -0.227 30.071 30.300 -0.003 0.000 0.856 163 R HN 0.235 nan 8.270 nan 0.000 0.436 164 A N 1.251 123.940 122.820 -0.218 0.000 1.902 164 A HA -0.140 4.220 4.320 0.066 0.000 0.217 164 A C 2.170 179.587 177.584 -0.278 0.000 1.181 164 A CA 1.195 52.955 52.037 -0.463 0.000 0.623 164 A CB -0.580 17.660 19.000 -1.267 0.000 0.818 164 A HN 0.180 nan 8.150 nan 0.000 0.443 165 L N -0.884 120.214 121.223 -0.209 0.000 2.046 165 L HA -0.270 4.110 4.340 0.066 0.000 0.208 165 L C 2.889 179.748 176.870 -0.019 0.000 1.077 165 L CA 1.739 56.522 54.840 -0.093 0.000 0.747 165 L CB -0.736 41.279 42.059 -0.073 0.000 0.896 165 L HN 0.524 nan 8.230 nan 0.000 0.432 166 Q N -0.178 119.620 119.800 -0.002 0.000 2.170 166 Q HA -0.170 4.210 4.340 0.066 0.000 0.203 166 Q C 2.295 178.313 176.000 0.030 0.000 0.976 166 Q CA 1.157 56.972 55.803 0.019 0.000 0.858 166 Q CB -0.081 28.669 28.738 0.021 0.000 0.907 166 Q HN 0.528 nan 8.270 nan 0.000 0.433 167 L N 0.100 121.345 121.223 0.038 0.000 2.313 167 L HA 0.048 4.428 4.340 0.066 0.000 0.214 167 L C 0.890 177.817 176.870 0.095 0.000 1.119 167 L CA -0.299 54.587 54.840 0.075 0.000 0.809 167 L CB -0.103 42.024 42.059 0.114 0.000 0.933 167 L HN 0.041 nan 8.230 nan 0.000 0.449 168 A N -0.620 122.256 122.820 0.093 0.000 2.363 168 A HA 0.236 4.596 4.320 0.066 0.000 0.270 168 A C 0.650 178.276 177.584 0.070 0.000 1.121 168 A CA -0.444 51.662 52.037 0.114 0.000 0.800 168 A CB 0.771 19.856 19.000 0.142 0.000 1.052 168 A HN 0.114 nan 8.150 nan 0.000 0.493 169 Q N 1.016 120.855 119.800 0.064 0.000 2.297 169 Q HA 0.041 4.421 4.340 0.066 0.000 0.203 169 Q C 0.314 176.335 176.000 0.035 0.000 0.931 169 Q CA 0.927 56.755 55.803 0.042 0.000 0.885 169 Q CB -0.016 28.743 28.738 0.034 0.000 0.991 169 Q HN 0.769 nan 8.270 nan 0.000 0.498 170 R N 2.278 122.803 120.500 0.042 0.000 2.491 170 R HA 0.168 4.548 4.340 0.066 0.000 0.283 170 R C -2.129 174.187 176.300 0.028 0.000 1.072 170 R CA -1.475 54.643 56.100 0.030 0.000 1.048 170 R CB -0.244 30.076 30.300 0.034 0.000 0.983 170 R HN 0.009 nan 8.270 nan 0.000 0.450 171 P HA -0.004 nan 4.420 nan 0.000 0.268 171 P C -0.591 176.702 177.300 -0.012 0.000 1.204 171 P CA 0.013 63.109 63.100 -0.006 0.000 0.768 171 P CB 0.643 32.332 31.700 -0.018 0.000 0.842 172 V N 3.167 123.076 119.914 -0.010 0.000 2.472 172 V HA 0.273 4.433 4.120 0.066 0.000 0.290 172 V C 0.528 176.595 176.094 -0.045 0.000 1.037 172 V CA -0.217 62.081 62.300 -0.003 0.000 0.908 172 V CB 1.598 33.432 31.823 0.019 0.000 0.985 172 V HN 0.495 nan 8.190 nan 0.000 0.454 173 S N 5.300 120.960 115.700 -0.067 0.000 2.462 173 S HA 0.672 5.182 4.470 0.066 0.000 0.294 173 S C -0.425 174.209 174.600 0.057 0.000 1.144 173 S CA -0.504 57.668 58.200 -0.047 0.000 1.088 173 S CB 0.831 63.847 63.200 -0.307 0.000 1.009 173 S HN 0.486 nan 8.310 nan 0.000 0.484 174 L N 3.395 124.656 121.223 0.063 0.000 2.325 174 L HA 0.624 5.004 4.340 0.066 0.000 0.279 174 L C -0.696 176.426 176.870 0.420 0.000 1.054 174 L CA -0.936 53.927 54.840 0.038 0.000 0.804 174 L CB 0.877 42.562 42.059 -0.622 0.000 1.200 174 L HN 0.398 nan 8.230 nan 0.000 0.436 175 L N 2.954 124.481 121.223 0.508 0.000 2.349 175 L HA 0.787 5.167 4.340 0.066 0.000 0.278 175 L C -0.341 176.803 176.870 0.456 0.000 0.996 175 L CA -0.180 54.947 54.840 0.477 0.000 0.825 175 L CB 1.489 43.787 42.059 0.399 0.000 1.243 175 L HN 0.683 nan 8.230 nan 0.000 0.412 176 A N 3.333 126.297 122.820 0.240 0.000 2.312 176 A HA 0.899 5.259 4.320 0.066 0.000 0.326 176 A C -0.604 176.972 177.584 -0.013 0.000 1.172 176 A CA -0.406 51.622 52.037 -0.016 0.000 0.821 176 A CB 0.893 19.566 19.000 -0.545 0.000 1.166 176 A HN 0.720 nan 8.150 nan 0.000 0.493 177 S N 2.962 118.688 115.700 0.044 0.000 2.575 177 S HA 0.678 5.188 4.470 0.066 0.000 0.278 177 S C -3.050 171.635 174.600 0.142 0.000 1.139 177 S CA -0.837 57.398 58.200 0.060 0.000 0.954 177 S CB 2.266 65.505 63.200 0.064 0.000 1.054 177 S HN 0.667 nan 8.310 nan 0.000 0.483 178 P HA 0.317 nan 4.420 nan 0.000 0.287 178 P C -0.013 177.436 177.300 0.248 0.000 1.270 178 P CA -0.663 62.547 63.100 0.183 0.000 0.844 178 P CB 1.315 33.077 31.700 0.103 0.000 1.068 179 W N 0.291 121.606 121.300 0.025 0.000 2.780 179 W HA 0.066 4.766 4.660 0.066 0.000 0.272 179 W C 0.654 177.150 176.519 -0.039 0.000 1.116 179 W CA 0.606 57.977 57.345 0.045 0.000 1.600 179 W CB 0.347 29.882 29.460 0.125 0.000 1.086 179 W HN 0.231 nan 8.180 nan 0.000 0.584 180 T N 0.426 115.056 114.554 0.126 0.000 2.893 180 T HA 0.326 4.715 4.350 0.066 0.000 0.291 180 T C -0.030 174.436 174.700 -0.389 0.000 1.028 180 T CA -0.380 61.628 62.100 -0.153 0.000 0.995 180 T CB 1.506 70.296 68.868 -0.130 0.000 1.051 180 T HN -0.028 nan 8.240 nan 0.000 0.470 181 S N 4.165 119.333 115.700 -0.886 0.000 2.624 181 S HA 0.554 5.064 4.470 0.066 0.000 0.263 181 S C -2.638 171.516 174.600 -0.744 0.000 1.287 181 S CA -1.056 56.332 58.200 -1.353 0.000 0.990 181 S CB 0.087 62.116 63.200 -1.952 0.000 0.950 181 S HN 0.531 nan 8.310 nan 0.000 0.561 182 P HA 0.020 nan 4.420 nan 0.000 0.264 182 P C 1.153 178.060 177.300 -0.655 0.000 1.179 182 P CA 0.322 63.060 63.100 -0.604 0.000 0.763 182 P CB 0.227 31.369 31.700 -0.931 0.000 0.806 183 T N -0.730 113.614 114.554 -0.350 0.000 2.915 183 T HA -0.140 4.250 4.350 0.066 0.000 0.269 183 T C 1.306 175.903 174.700 -0.173 0.000 1.071 183 T CA 0.689 62.654 62.100 -0.226 0.000 1.132 183 T CB -0.728 68.093 68.868 -0.079 0.000 0.878 183 T HN 0.582 nan 8.240 nan 0.000 0.479 184 W N 1.123 122.348 121.300 -0.126 0.000 2.937 184 W HA 0.323 5.023 4.660 0.067 0.000 0.245 184 W C 0.804 177.267 176.519 -0.094 0.000 1.306 184 W CA -0.389 56.897 57.345 -0.099 0.000 1.470 184 W CB -0.809 28.594 29.460 -0.095 0.000 1.132 184 W HN 0.257 nan 8.180 nan 0.000 0.675 185 L N 0.868 121.795 121.223 -0.493 0.000 2.592 185 L HA 0.189 4.569 4.340 0.066 0.000 0.227 185 L C 0.674 177.260 176.870 -0.474 0.000 1.127 185 L CA 0.625 55.208 54.840 -0.428 0.000 0.884 185 L CB -0.291 41.374 42.059 -0.656 0.000 1.065 185 L HN -0.267 nan 8.230 nan 0.000 0.457 186 K N -0.368 119.787 120.400 -0.407 0.000 2.164 186 K HA 0.224 4.584 4.320 0.066 0.000 0.258 186 K C 1.224 177.648 176.600 -0.293 0.000 0.951 186 K CA -0.025 56.027 56.287 -0.392 0.000 0.844 186 K CB 1.817 34.098 32.500 -0.365 0.000 1.099 186 K HN -0.064 nan 8.250 nan 0.000 0.435 187 T N -1.350 113.032 114.554 -0.287 0.000 2.778 187 T HA -0.195 4.195 4.350 0.066 0.000 0.269 187 T C 1.202 175.814 174.700 -0.147 0.000 1.050 187 T CA 1.683 63.657 62.100 -0.210 0.000 1.137 187 T CB -0.233 68.521 68.868 -0.190 0.000 0.860 187 T HN 0.688 nan 8.240 nan 0.000 0.468 188 N N 1.166 119.778 118.700 -0.147 0.000 2.254 188 N HA 0.168 4.948 4.740 0.066 0.000 0.190 188 N C 1.528 176.988 175.510 -0.083 0.000 1.107 188 N CA 0.643 53.631 53.050 -0.102 0.000 0.869 188 N CB -0.410 38.018 38.487 -0.098 0.000 0.983 188 N HN 0.644 nan 8.380 nan 0.000 0.487 189 G N 0.040 108.779 108.800 -0.101 0.000 2.249 189 G HA2 -0.044 3.955 3.960 0.066 0.000 0.273 189 G HA3 -0.044 3.955 3.960 0.066 0.000 0.273 189 G C 0.023 174.890 174.900 -0.055 0.000 1.036 189 G CA 0.541 45.602 45.100 -0.065 0.000 0.824 189 G HN 0.913 nan 8.290 nan 0.000 0.504 190 A N -1.779 120.993 122.820 -0.080 0.000 2.572 190 A HA 0.879 5.239 4.320 0.066 0.000 0.295 190 A C 1.123 178.663 177.584 -0.072 0.000 1.072 190 A CA 0.313 52.319 52.037 -0.051 0.000 0.691 190 A CB 1.072 20.059 19.000 -0.020 0.000 1.291 190 A HN 1.533 nan 8.150 nan 0.000 0.404 191 V N -0.765 119.127 119.914 -0.037 0.000 2.667 191 V HA 0.062 4.222 4.120 0.066 0.000 0.252 191 V C 0.624 176.738 176.094 0.033 0.000 1.065 191 V CA 1.871 64.151 62.300 -0.034 0.000 1.083 191 V CB -1.437 30.372 31.823 -0.025 0.000 0.692 191 V HN 0.963 nan 8.190 nan 0.000 0.468 192 N N 0.206 118.951 118.700 0.075 0.000 2.906 192 N HA 0.678 5.458 4.740 0.066 0.000 0.327 192 N C 0.380 175.907 175.510 0.029 0.000 1.344 192 N CA 0.170 53.277 53.050 0.094 0.000 0.823 192 N CB 0.700 39.287 38.487 0.166 0.000 1.351 192 N HN 0.931 nan 8.380 nan 0.000 0.604 193 G N -0.649 108.175 108.800 0.040 0.000 2.828 193 G HA2 -0.198 3.802 3.960 0.066 0.000 0.463 193 G HA3 -0.198 3.802 3.960 0.066 0.000 0.463 193 G C -0.908 173.979 174.900 -0.021 0.000 1.394 193 G CA -0.180 44.926 45.100 0.011 0.000 0.862 193 G HN 0.882 nan 8.290 nan 0.000 0.540 194 K N 0.457 120.834 120.400 -0.037 0.000 2.339 194 K HA 0.558 4.918 4.320 0.066 0.000 0.286 194 K C 0.507 177.044 176.600 -0.104 0.000 1.050 194 K CA 0.490 56.735 56.287 -0.070 0.000 0.956 194 K CB 0.094 32.563 32.500 -0.053 0.000 0.990 194 K HN 1.917 nan 8.250 nan 0.000 0.475 195 G N 1.701 110.412 108.800 -0.150 0.000 2.429 195 G HA2 0.239 4.239 3.960 0.066 0.000 0.300 195 G HA3 0.239 4.239 3.960 0.066 0.000 0.300 195 G C -1.361 173.372 174.900 -0.277 0.000 1.598 195 G CA -0.518 44.467 45.100 -0.191 0.000 0.863 195 G HN 0.668 nan 8.290 nan 0.000 0.614 196 S N 0.252 115.764 115.700 -0.312 0.000 2.810 196 S HA 0.832 5.342 4.470 0.066 0.000 0.315 196 S C 0.055 174.365 174.600 -0.484 0.000 1.138 196 S CA -1.005 56.928 58.200 -0.445 0.000 0.889 196 S CB 1.086 64.098 63.200 -0.313 0.000 1.236 196 S HN 0.827 nan 8.310 nan 0.000 0.548 197 L N 1.480 122.338 121.223 -0.608 0.000 2.485 197 L HA 0.233 4.613 4.340 0.066 0.000 0.275 197 L C 0.753 177.378 176.870 -0.408 0.000 1.207 197 L CA -0.162 54.317 54.840 -0.601 0.000 0.855 197 L CB 0.076 41.639 42.059 -0.827 0.000 1.114 197 L HN 0.661 nan 8.230 nan 0.000 0.485 198 K N 1.607 121.684 120.400 -0.538 0.000 2.336 198 K HA 0.336 4.696 4.320 0.066 0.000 0.262 198 K C 0.810 177.266 176.600 -0.239 0.000 0.992 198 K CA 0.598 56.545 56.287 -0.566 0.000 0.927 198 K CB 0.346 32.135 32.500 -1.184 0.000 0.956 198 K HN 0.823 nan 8.250 nan 0.000 0.495 199 G N 0.722 109.490 108.800 -0.054 0.000 2.528 199 G HA2 -0.307 3.693 3.960 0.066 0.000 0.262 199 G HA3 -0.307 3.693 3.960 0.066 0.000 0.262 199 G C -0.973 174.038 174.900 0.186 0.000 1.200 199 G CA 0.353 45.571 45.100 0.197 0.000 0.951 199 G HN 0.735 nan 8.290 nan 0.000 0.566 200 Q N -0.887 119.005 119.800 0.152 0.000 2.416 200 Q HA 0.671 5.050 4.340 0.066 0.000 0.281 200 Q C -3.159 172.459 176.000 -0.637 0.000 1.067 200 Q CA -2.111 53.574 55.803 -0.198 0.000 0.809 200 Q CB 2.629 31.286 28.738 -0.134 0.000 1.418 200 Q HN 0.414 nan 8.270 nan 0.000 0.411 201 P HA -0.034 nan 4.420 nan 0.000 0.266 201 P C 0.613 177.821 177.300 -0.153 0.000 1.186 201 P CA 2.328 65.100 63.100 -0.546 0.000 0.767 201 P CB 0.301 31.948 31.700 -0.089 0.000 0.820 202 G N 1.004 109.820 108.800 0.027 0.000 2.217 202 G HA2 -0.192 3.808 3.960 0.066 0.000 0.246 202 G HA3 -0.192 3.808 3.960 0.066 0.000 0.246 202 G C 0.082 175.038 174.900 0.094 0.000 0.990 202 G CA 0.384 45.518 45.100 0.056 0.000 0.627 202 G HN 0.725 nan 8.290 nan 0.000 0.522 203 D N -0.342 120.152 120.400 0.156 0.000 2.549 203 D HA 0.532 5.212 4.640 0.066 0.000 0.270 203 D C 1.711 178.112 176.300 0.167 0.000 1.181 203 D CA -0.565 53.527 54.000 0.154 0.000 1.070 203 D CB 0.338 41.246 40.800 0.180 0.000 1.154 203 D HN 0.226 nan 8.370 nan 0.000 0.602 204 I N -0.688 119.872 120.570 -0.017 0.000 2.264 204 I HA -0.309 3.901 4.170 0.066 0.000 0.248 204 I C 1.514 177.668 176.117 0.062 0.000 1.111 204 I CA 1.252 62.485 61.300 -0.113 0.000 1.382 204 I CB -0.070 37.654 38.000 -0.460 0.000 1.060 204 I HN 0.352 nan 8.210 nan 0.000 0.418 205 Y N -0.138 120.331 120.300 0.283 0.000 2.163 205 Y HA -0.265 4.325 4.550 0.066 0.000 0.288 205 Y C 2.537 178.554 175.900 0.195 0.000 1.136 205 Y CA 1.866 60.129 58.100 0.271 0.000 1.147 205 Y CB -0.733 37.788 38.460 0.101 0.000 0.987 205 Y HN 0.249 nan 8.280 nan 0.000 0.509 206 H N -0.231 119.089 119.070 0.417 0.000 2.389 206 H HA -0.159 4.437 4.556 0.066 0.000 0.299 206 H C 2.228 177.842 175.328 0.477 0.000 1.081 206 H CA 1.684 58.002 56.048 0.450 0.000 1.345 206 H CB -0.273 29.757 29.762 0.446 0.000 1.393 206 H HN 0.507 nan 8.280 nan 0.000 0.520 207 Q N -0.021 120.041 119.800 0.436 0.000 2.084 207 Q HA -0.135 4.245 4.340 0.066 0.000 0.202 207 Q C 1.696 177.897 176.000 0.334 0.000 0.978 207 Q CA 1.990 57.979 55.803 0.311 0.000 0.844 207 Q CB -0.508 28.346 28.738 0.193 0.000 0.898 207 Q HN 0.228 nan 8.270 nan 0.000 0.426 208 T N 0.555 115.341 114.554 0.387 0.000 2.684 208 T HA -0.206 4.184 4.350 0.066 0.000 0.267 208 T C 1.095 176.089 174.700 0.489 0.000 1.036 208 T CA 1.412 63.773 62.100 0.436 0.000 1.148 208 T CB -0.560 68.632 68.868 0.541 0.000 0.863 208 T HN 0.501 nan 8.240 nan 0.000 0.436 209 W N 1.579 123.029 121.300 0.250 0.000 2.381 209 W HA -0.111 4.589 4.660 0.066 0.000 0.301 209 W C 2.564 179.396 176.519 0.522 0.000 1.205 209 W CA 0.821 58.309 57.345 0.238 0.000 1.285 209 W CB -0.232 29.249 29.460 0.035 0.000 1.133 209 W HN 0.297 nan 8.180 nan 0.000 0.521 210 A N 1.098 124.195 122.820 0.461 0.000 1.902 210 A HA -0.225 4.135 4.320 0.066 0.000 0.217 210 A C 1.956 179.637 177.584 0.162 0.000 1.181 210 A CA 1.792 53.934 52.037 0.175 0.000 0.623 210 A CB -0.965 18.060 19.000 0.041 0.000 0.818 210 A HN 0.358 nan 8.150 nan 0.000 0.443 211 R N -2.367 118.260 120.500 0.211 0.000 2.152 211 R HA -0.135 4.245 4.340 0.066 0.000 0.232 211 R C 2.036 178.431 176.300 0.158 0.000 1.117 211 R CA 1.419 57.616 56.100 0.161 0.000 0.981 211 R CB -0.454 29.942 30.300 0.161 0.000 0.870 211 R HN 0.744 nan 8.270 nan 0.000 0.451 212 Y N 0.247 120.600 120.300 0.088 0.000 2.207 212 Y HA -0.288 4.302 4.550 0.066 0.000 0.287 212 Y C 1.647 177.501 175.900 -0.077 0.000 1.156 212 Y CA 1.575 59.702 58.100 0.045 0.000 1.182 212 Y CB -0.169 38.349 38.460 0.098 0.000 0.979 212 Y HN -0.073 nan 8.280 nan 0.000 0.521 213 F N -1.150 118.772 119.950 -0.047 0.000 2.134 213 F HA -0.237 4.330 4.527 0.066 0.000 0.299 213 F C 2.348 178.076 175.800 -0.121 0.000 1.097 213 F CA 1.581 59.512 58.000 -0.114 0.000 1.264 213 F CB -0.920 37.949 39.000 -0.218 0.000 1.001 213 F HN -0.126 nan 8.300 nan 0.000 0.479 214 V N -0.075 119.886 119.914 0.079 0.000 2.358 214 V HA -0.252 3.908 4.120 0.066 0.000 0.246 214 V C 2.445 178.455 176.094 -0.139 0.000 1.047 214 V CA 1.542 63.847 62.300 0.008 0.000 1.035 214 V CB -0.471 31.391 31.823 0.065 0.000 0.658 214 V HN 0.197 nan 8.190 nan 0.000 0.452 215 K N -0.483 119.721 120.400 -0.326 0.000 2.057 215 K HA -0.169 4.191 4.320 0.066 0.000 0.207 215 K C 2.069 178.194 176.600 -0.792 0.000 1.049 215 K CA 1.613 57.461 56.287 -0.732 0.000 0.931 215 K CB -0.694 30.943 32.500 -1.438 0.000 0.714 215 K HN 0.509 nan 8.250 nan 0.000 0.440 216 F N 2.024 121.545 119.950 -0.716 0.000 2.095 216 F HA -0.179 4.387 4.527 0.066 0.000 0.298 216 F C 1.974 177.633 175.800 -0.236 0.000 1.104 216 F CA 1.330 59.162 58.000 -0.280 0.000 1.232 216 F CB -0.347 38.521 39.000 -0.219 0.000 0.987 216 F HN -0.123 nan 8.300 nan 0.000 0.475 217 L N -0.116 120.841 121.223 -0.443 0.000 2.093 217 L HA -0.189 4.191 4.340 0.066 0.000 0.208 217 L C 2.196 178.821 176.870 -0.408 0.000 1.085 217 L CA 1.225 55.692 54.840 -0.621 0.000 0.755 217 L CB -0.906 40.577 42.059 -0.960 0.000 0.904 217 L HN 0.072 nan 8.230 nan 0.000 0.435 218 D N 0.492 120.766 120.400 -0.210 0.000 2.092 218 D HA -0.202 4.478 4.640 0.066 0.000 0.193 218 D C 2.241 178.538 176.300 -0.006 0.000 0.994 218 D CA 1.741 55.759 54.000 0.030 0.000 0.828 218 D CB -0.103 40.696 40.800 -0.003 0.000 0.963 218 D HN 0.316 nan 8.370 nan 0.000 0.450 219 A N -0.171 122.610 122.820 -0.064 0.000 1.898 219 A HA -0.195 4.165 4.320 0.066 0.000 0.216 219 A C 2.109 179.751 177.584 0.096 0.000 1.181 219 A CA 1.083 53.146 52.037 0.043 0.000 0.620 219 A CB -1.013 18.046 19.000 0.099 0.000 0.819 219 A HN 0.223 nan 8.150 nan 0.000 0.442 220 Y N -0.014 120.137 120.300 -0.248 0.000 2.274 220 Y HA -0.063 4.527 4.550 0.066 0.000 0.290 220 Y C 2.850 178.765 175.900 0.025 0.000 1.145 220 Y CA 0.532 58.556 58.100 -0.127 0.000 1.203 220 Y CB -0.553 37.810 38.460 -0.162 0.000 0.984 220 Y HN 0.338 nan 8.280 nan 0.000 0.533 221 A N -0.082 122.823 122.820 0.142 0.000 1.972 221 A HA -0.200 4.160 4.320 0.066 0.000 0.219 221 A C 2.055 179.686 177.584 0.078 0.000 1.169 221 A CA 1.685 53.798 52.037 0.127 0.000 0.635 221 A CB -0.565 18.541 19.000 0.177 0.000 0.810 221 A HN 0.513 nan 8.150 nan 0.000 0.446 222 E N -0.691 119.543 120.200 0.057 0.000 2.160 222 E HA -0.170 4.220 4.350 0.066 0.000 0.195 222 E C 0.948 177.451 176.600 -0.161 0.000 0.991 222 E CA 1.115 57.486 56.400 -0.049 0.000 0.810 222 E CB -0.212 29.444 29.700 -0.072 0.000 0.742 222 E HN 0.756 nan 8.360 nan 0.000 0.466 223 H N -0.088 118.957 119.070 -0.043 0.000 2.538 223 H HA 0.171 4.767 4.556 0.066 0.000 0.286 223 H C 0.048 175.433 175.328 0.095 0.000 1.035 223 H CA 0.114 56.150 56.048 -0.020 0.000 1.169 223 H CB 0.451 30.136 29.762 -0.128 0.000 1.417 223 H HN -0.065 nan 8.280 nan 0.000 0.567 224 K N 0.379 120.852 120.400 0.123 0.000 3.129 224 K HA -0.148 4.212 4.320 0.066 0.000 0.273 224 K C -0.907 175.770 176.600 0.129 0.000 1.123 224 K CA 0.229 56.595 56.287 0.131 0.000 0.800 224 K CB -1.737 30.839 32.500 0.128 0.000 1.238 224 K HN 0.328 nan 8.250 nan 0.000 0.492 225 L N -0.276 120.986 121.223 0.066 0.000 2.346 225 L HA 0.531 4.911 4.340 0.066 0.000 0.276 225 L C -0.009 176.865 176.870 0.007 0.000 1.006 225 L CA -0.862 53.956 54.840 -0.038 0.000 0.817 225 L CB 2.036 44.033 42.059 -0.104 0.000 1.272 225 L HN 0.030 nan 8.230 nan 0.000 0.421 226 Q N 2.451 122.200 119.800 -0.085 0.000 2.377 226 Q HA 0.585 4.965 4.340 0.066 0.000 0.271 226 Q C -1.469 174.439 176.000 -0.154 0.000 1.077 226 Q CA -0.581 55.221 55.803 -0.002 0.000 0.820 226 Q CB 2.164 30.922 28.738 0.033 0.000 1.347 226 Q HN 0.379 nan 8.270 nan 0.000 0.444 227 F N 2.280 122.249 119.950 0.031 0.000 2.404 227 F HA 0.430 4.997 4.527 0.066 0.000 0.339 227 F C 0.859 176.709 175.800 0.083 0.000 1.105 227 F CA -0.835 57.197 58.000 0.053 0.000 1.087 227 F CB 1.132 40.139 39.000 0.012 0.000 1.143 227 F HN 0.936 nan 8.300 nan 0.000 0.491 228 W N 3.643 124.983 121.300 0.068 0.000 2.409 228 W HA 0.388 5.088 4.660 0.067 0.000 0.299 228 W C -0.190 176.327 176.519 -0.004 0.000 1.203 228 W CA 1.044 58.387 57.345 -0.003 0.000 1.298 228 W CB -0.019 29.409 29.460 -0.054 0.000 1.127 228 W HN 0.437 nan 8.180 nan 0.000 0.528 229 A N 0.295 122.893 122.820 -0.371 0.000 2.594 229 A HA 0.584 4.944 4.320 0.066 0.000 0.295 229 A C -1.262 176.167 177.584 -0.257 0.000 1.071 229 A CA -0.223 51.391 52.037 -0.705 0.000 0.685 229 A CB 0.922 18.936 19.000 -1.644 0.000 1.285 229 A HN 0.565 nan 8.150 nan 0.000 0.405 230 V N -0.955 118.812 119.914 -0.245 0.000 2.864 230 V HA 0.948 5.108 4.120 0.066 0.000 0.314 230 V C 0.065 176.089 176.094 -0.117 0.000 1.073 230 V CA 0.064 62.298 62.300 -0.110 0.000 0.956 230 V CB 1.394 33.224 31.823 0.013 0.000 1.023 230 V HN 1.654 nan 8.190 nan 0.000 0.435 231 T N 0.423 114.955 114.554 -0.037 0.000 2.934 231 T HA 0.707 5.097 4.350 0.066 0.000 0.283 231 T C 1.060 175.780 174.700 0.034 0.000 1.005 231 T CA -0.012 62.062 62.100 -0.042 0.000 1.041 231 T CB 1.627 70.464 68.868 -0.051 0.000 1.042 231 T HN 1.614 nan 8.240 nan 0.000 0.505 232 A N 0.705 123.495 122.820 -0.050 0.000 2.119 232 A HA 0.376 4.735 4.320 0.066 0.000 0.216 232 A C 0.769 178.378 177.584 0.042 0.000 1.152 232 A CA 0.982 52.980 52.037 -0.064 0.000 0.708 232 A CB -0.761 18.142 19.000 -0.161 0.000 0.805 232 A HN 1.049 nan 8.150 nan 0.000 0.460 233 E N -1.701 118.491 120.200 -0.014 0.000 2.972 233 E HA 0.092 4.482 4.350 0.066 0.000 0.311 233 E C -1.301 175.168 176.600 -0.217 0.000 1.132 233 E CA -0.328 56.053 56.400 -0.032 0.000 0.912 233 E CB -0.378 29.288 29.700 -0.056 0.000 1.174 233 E HN 0.163 nan 8.360 nan 0.000 0.462 234 N N 3.225 121.698 118.700 -0.377 0.000 2.440 234 N HA 0.099 4.878 4.740 0.066 0.000 0.265 234 N C -0.749 174.432 175.510 -0.549 0.000 1.239 234 N CA 0.854 53.509 53.050 -0.658 0.000 0.909 234 N CB 0.362 37.940 38.487 -1.516 0.000 1.066 234 N HN 0.575 nan 8.380 nan 0.000 0.474 235 E N 1.890 121.770 120.200 -0.532 0.000 2.202 235 E HA -0.194 4.196 4.350 0.066 0.000 0.169 235 E C -1.672 174.702 176.600 -0.377 0.000 1.536 235 E CA 0.037 56.149 56.400 -0.481 0.000 0.664 235 E CB -0.422 29.030 29.700 -0.413 0.000 1.064 235 E HN 0.681 nan 8.360 nan 0.000 0.327 236 P HA -0.230 nan 4.420 nan 0.000 0.220 236 P C 1.499 178.769 177.300 -0.051 0.000 1.148 236 P CA 1.717 64.803 63.100 -0.024 0.000 0.803 236 P CB 0.066 31.874 31.700 0.180 0.000 0.782 237 S N 0.149 115.756 115.700 -0.156 0.000 2.419 237 S HA -0.085 4.424 4.470 0.066 0.000 0.233 237 S C 2.211 176.669 174.600 -0.235 0.000 1.016 237 S CA 1.036 59.167 58.200 -0.115 0.000 0.974 237 S CB -1.327 61.798 63.200 -0.125 0.000 0.786 237 S HN 0.139 nan 8.310 nan 0.000 0.492 238 A N 1.876 124.434 122.820 -0.436 0.000 1.940 238 A HA 0.146 4.505 4.320 0.066 0.000 0.219 238 A C 2.329 179.488 177.584 -0.709 0.000 1.176 238 A CA 1.542 53.075 52.037 -0.840 0.000 0.631 238 A CB -1.677 16.421 19.000 -1.503 0.000 0.814 238 A HN 0.718 nan 8.150 nan 0.000 0.446 239 G N -0.813 107.708 108.800 -0.465 0.000 2.776 239 G HA2 0.141 4.141 3.960 0.066 0.000 0.209 239 G HA3 0.141 4.141 3.960 0.066 0.000 0.209 239 G C 1.154 175.938 174.900 -0.193 0.000 1.145 239 G CA 0.479 45.396 45.100 -0.304 0.000 0.791 239 G HN 0.463 nan 8.290 nan 0.000 0.530 240 L N -0.416 120.714 121.223 -0.155 0.000 2.599 240 L HA 0.297 4.676 4.340 0.066 0.000 0.230 240 L C 0.428 177.262 176.870 -0.061 0.000 1.141 240 L CA -0.250 54.541 54.840 -0.082 0.000 0.877 240 L CB 0.028 42.069 42.059 -0.030 0.000 1.009 240 L HN 0.117 nan 8.230 nan 0.000 0.447 241 L N -0.066 121.117 121.223 -0.066 0.000 2.296 241 L HA 0.308 4.688 4.340 0.066 0.000 0.286 241 L C 0.499 177.380 176.870 0.019 0.000 1.023 241 L CA -0.222 54.617 54.840 -0.002 0.000 0.812 241 L CB 1.570 43.662 42.059 0.055 0.000 1.223 241 L HN -0.130 nan 8.230 nan 0.000 0.421 242 S N 4.176 119.880 115.700 0.006 0.000 2.544 242 S HA 0.367 4.877 4.470 0.066 0.000 0.290 242 S C 1.280 175.883 174.600 0.006 0.000 1.276 242 S CA 0.570 58.769 58.200 -0.001 0.000 1.075 242 S CB -0.318 62.877 63.200 -0.008 0.000 0.849 242 S HN 1.696 nan 8.310 nan 0.000 0.494 243 G N 3.529 112.327 108.800 -0.003 0.000 2.168 243 G HA2 -0.324 3.675 3.960 0.066 0.000 0.257 243 G HA3 -0.324 3.675 3.960 0.066 0.000 0.257 243 G C 0.016 174.891 174.900 -0.043 0.000 0.997 243 G CA 0.413 45.499 45.100 -0.023 0.000 0.708 243 G HN 1.060 nan 8.290 nan 0.000 0.520 244 Y N 1.812 122.038 120.300 -0.125 0.000 2.865 244 Y HA 0.184 4.774 4.550 0.066 0.000 0.338 244 Y C -0.050 175.728 175.900 -0.203 0.000 1.269 244 Y CA -0.211 57.773 58.100 -0.193 0.000 1.585 244 Y CB 0.866 39.180 38.460 -0.243 0.000 1.224 244 Y HN 0.133 nan 8.280 nan 0.000 0.554 245 P HA -0.078 nan 4.420 nan 0.000 0.229 245 P C -0.501 176.670 177.300 -0.215 0.000 1.160 245 P CA 1.088 63.958 63.100 -0.383 0.000 0.777 245 P CB -0.036 31.436 31.700 -0.380 0.000 0.814 246 F N -2.618 117.215 119.950 -0.195 0.000 2.849 246 F HA 0.678 5.245 4.527 0.066 0.000 0.341 246 F C -0.530 175.481 175.800 0.351 0.000 1.185 246 F CA -2.056 55.991 58.000 0.077 0.000 1.007 246 F CB -0.279 38.678 39.000 -0.073 0.000 1.454 246 F HN -0.490 nan 8.300 nan 0.000 0.518 247 Q N 1.139 121.366 119.800 0.712 0.000 2.308 247 Q HA 0.381 4.761 4.340 0.066 0.000 0.313 247 Q C -0.316 175.885 176.000 0.335 0.000 1.075 247 Q CA 0.853 56.927 55.803 0.452 0.000 0.995 247 Q CB 0.104 29.106 28.738 0.440 0.000 1.107 247 Q HN 0.874 nan 8.270 nan 0.000 0.380 248 C N 0.489 119.837 119.300 0.079 0.000 3.306 248 C HA 0.865 5.365 4.460 0.066 0.000 0.335 248 C C -1.764 173.115 174.990 -0.186 0.000 1.382 248 C CA -1.254 57.695 59.018 -0.114 0.000 1.254 248 C CB 0.842 28.379 27.740 -0.340 0.000 1.555 248 C HN 0.768 nan 8.230 nan 0.000 0.463 249 L N 1.849 122.933 121.223 -0.232 0.000 2.611 249 L HA 0.705 5.085 4.340 0.066 0.000 0.263 249 L C 0.181 176.874 176.870 -0.295 0.000 0.969 249 L CA 0.400 55.054 54.840 -0.310 0.000 0.894 249 L CB 1.200 43.066 42.059 -0.321 0.000 1.229 249 L HN 1.395 nan 8.230 nan 0.000 0.416 250 G N 3.416 111.990 108.800 -0.378 0.000 2.380 250 G HA2 0.475 4.475 3.960 0.066 0.000 0.262 250 G HA3 0.475 4.475 3.960 0.066 0.000 0.262 250 G C -1.145 173.499 174.900 -0.426 0.000 1.243 250 G CA 0.024 44.958 45.100 -0.277 0.000 0.865 250 G HN 0.386 nan 8.290 nan 0.000 0.513 251 F N 0.563 120.471 119.950 -0.069 0.000 2.557 251 F HA 0.362 4.929 4.527 0.067 0.000 0.316 251 F C 0.929 176.805 175.800 0.127 0.000 1.141 251 F CA -0.792 57.186 58.000 -0.038 0.000 0.922 251 F CB 2.220 41.170 39.000 -0.083 0.000 1.194 251 F HN 0.660 nan 8.300 nan 0.000 0.443 252 T N -0.081 114.618 114.554 0.242 0.000 2.766 252 T HA 0.194 4.584 4.350 0.066 0.000 0.295 252 T C -1.807 172.705 174.700 -0.313 0.000 1.024 252 T CA -1.407 60.737 62.100 0.073 0.000 1.018 252 T CB 1.068 69.949 68.868 0.022 0.000 1.002 252 T HN 0.371 nan 8.240 nan 0.000 0.532 253 P HA -0.016 nan 4.420 nan 0.000 0.223 253 P C 0.938 177.861 177.300 -0.628 0.000 1.151 253 P CA 0.943 63.120 63.100 -1.539 0.000 0.787 253 P CB 0.120 30.698 31.700 -1.869 0.000 0.788 254 E N -1.138 118.859 120.200 -0.338 0.000 2.072 254 E HA -0.166 4.224 4.350 0.066 0.000 0.190 254 E C 2.194 178.792 176.600 -0.005 0.000 0.982 254 E CA 0.926 57.233 56.400 -0.156 0.000 0.803 254 E CB -1.051 28.585 29.700 -0.106 0.000 0.755 254 E HN 0.485 nan 8.360 nan 0.000 0.453 255 H N 0.030 119.072 119.070 -0.048 0.000 2.321 255 H HA -0.133 4.463 4.556 0.066 0.000 0.300 255 H C 2.251 177.728 175.328 0.248 0.000 1.087 255 H CA 1.457 57.576 56.048 0.119 0.000 1.319 255 H CB 0.284 30.148 29.762 0.170 0.000 1.379 255 H HN 0.133 nan 8.280 nan 0.000 0.501 256 Q N 0.750 120.686 119.800 0.226 0.000 2.030 256 Q HA -0.227 4.153 4.340 0.066 0.000 0.204 256 Q C 2.584 178.603 176.000 0.032 0.000 0.986 256 Q CA 1.747 57.575 55.803 0.041 0.000 0.843 256 Q CB -0.107 28.588 28.738 -0.072 0.000 0.904 256 Q HN 0.364 nan 8.270 nan 0.000 0.420 257 R N 0.034 120.501 120.500 -0.055 0.000 2.112 257 R HA -0.225 4.154 4.340 0.066 0.000 0.242 257 R C 1.385 177.689 176.300 0.007 0.000 1.137 257 R CA 2.262 58.326 56.100 -0.060 0.000 0.944 257 R CB -0.319 29.916 30.300 -0.110 0.000 0.857 257 R HN 0.391 nan 8.270 nan 0.000 0.435 258 D N -0.503 119.938 120.400 0.069 0.000 2.149 258 D HA -0.124 4.555 4.640 0.066 0.000 0.201 258 D C 1.583 177.970 176.300 0.145 0.000 0.972 258 D CA 0.786 54.834 54.000 0.079 0.000 0.835 258 D CB -0.344 40.494 40.800 0.063 0.000 0.966 258 D HN 0.217 nan 8.370 nan 0.000 0.476 259 F N 1.728 121.743 119.950 0.109 0.000 2.102 259 F HA -0.112 4.455 4.527 0.066 0.000 0.298 259 F C 2.078 177.874 175.800 -0.007 0.000 1.105 259 F CA 0.989 59.072 58.000 0.138 0.000 1.239 259 F CB -0.483 38.700 39.000 0.304 0.000 0.991 259 F HN -0.157 nan 8.300 nan 0.000 0.474 260 I N 0.419 120.831 120.570 -0.263 0.000 2.127 260 I HA -0.347 3.862 4.170 0.066 0.000 0.241 260 I C 2.738 178.701 176.117 -0.256 0.000 1.075 260 I CA 1.461 62.531 61.300 -0.383 0.000 1.334 260 I CB -1.035 36.840 38.000 -0.208 0.000 1.040 260 I HN 0.252 nan 8.210 nan 0.000 0.405 261 A N 0.651 123.429 122.820 -0.071 0.000 1.908 261 A HA -0.206 4.154 4.320 0.066 0.000 0.218 261 A C 2.392 179.965 177.584 -0.019 0.000 1.181 261 A CA 1.766 53.828 52.037 0.042 0.000 0.627 261 A CB -0.483 18.540 19.000 0.038 0.000 0.818 261 A HN 0.371 nan 8.150 nan 0.000 0.445 262 R N -1.512 118.947 120.500 -0.067 0.000 2.146 262 R HA 0.079 4.459 4.340 0.066 0.000 0.206 262 R C 0.944 177.184 176.300 -0.100 0.000 1.049 262 R CA 1.150 57.222 56.100 -0.047 0.000 1.029 262 R CB 0.048 30.351 30.300 0.004 0.000 0.949 262 R HN 0.520 nan 8.270 nan 0.000 0.471 263 D N -0.166 120.122 120.400 -0.188 0.000 3.194 263 D HA -0.032 4.648 4.640 0.066 0.000 0.290 263 D C 1.672 177.708 176.300 -0.439 0.000 1.280 263 D CA 0.133 54.023 54.000 -0.184 0.000 1.058 263 D CB -0.237 40.617 40.800 0.089 0.000 1.241 263 D HN -0.065 nan 8.370 nan 0.000 0.421 264 L N 1.979 122.687 121.223 -0.857 0.000 2.023 264 L HA 0.115 4.494 4.340 0.066 0.000 0.205 264 L C 2.190 178.610 176.870 -0.750 0.000 1.073 264 L CA 2.218 56.486 54.840 -0.953 0.000 0.745 264 L CB -1.061 40.126 42.059 -1.454 0.000 0.900 264 L HN 0.102 nan 8.230 nan 0.000 0.435 265 G N -0.155 108.139 108.800 -0.843 0.000 2.545 265 G HA2 -0.230 3.770 3.960 0.066 0.000 0.217 265 G HA3 -0.230 3.770 3.960 0.066 0.000 0.217 265 G C -0.632 173.507 174.900 -1.268 0.000 1.218 265 G CA 1.037 45.385 45.100 -1.253 0.000 0.787 265 G HN 0.378 nan 8.290 nan 0.000 0.571 266 P HA -0.023 nan 4.420 nan 0.000 0.216 266 P C 2.020 179.155 177.300 -0.275 0.000 1.150 266 P CA 1.716 64.531 63.100 -0.475 0.000 0.837 266 P CB -0.223 31.324 31.700 -0.255 0.000 0.786 267 T N -0.299 114.086 114.554 -0.281 0.000 2.737 267 T HA -0.082 4.308 4.350 0.066 0.000 0.265 267 T C 1.768 176.390 174.700 -0.129 0.000 1.038 267 T CA 1.059 63.064 62.100 -0.160 0.000 1.144 267 T CB -0.928 67.859 68.868 -0.137 0.000 0.866 267 T HN 0.051 nan 8.240 nan 0.000 0.434 268 L N 0.791 121.896 121.223 -0.198 0.000 2.046 268 L HA -0.094 4.286 4.340 0.066 0.000 0.208 268 L C 3.009 179.863 176.870 -0.027 0.000 1.077 268 L CA 1.308 56.082 54.840 -0.109 0.000 0.747 268 L CB -0.622 41.332 42.059 -0.176 0.000 0.896 268 L HN 0.244 nan 8.230 nan 0.000 0.432 269 A N -0.311 122.474 122.820 -0.059 0.000 2.015 269 A HA -0.210 4.150 4.320 0.066 0.000 0.219 269 A C 1.881 179.489 177.584 0.039 0.000 1.163 269 A CA 1.846 53.911 52.037 0.047 0.000 0.646 269 A CB -0.612 18.453 19.000 0.109 0.000 0.806 269 A HN 0.474 nan 8.150 nan 0.000 0.448 270 N N -0.345 118.354 118.700 -0.001 0.000 2.314 270 N HA 0.037 4.817 4.740 0.066 0.000 0.200 270 N C 0.283 175.802 175.510 0.014 0.000 1.135 270 N CA 0.637 53.685 53.050 -0.003 0.000 0.835 270 N CB 0.036 38.512 38.487 -0.018 0.000 0.989 270 N HN 0.457 nan 8.380 nan 0.000 0.478 271 S N -2.274 113.452 115.700 0.042 0.000 2.704 271 S HA 0.223 4.733 4.470 0.066 0.000 0.305 271 S C 1.377 175.986 174.600 0.016 0.000 1.107 271 S CA -0.175 58.036 58.200 0.019 0.000 0.993 271 S CB 0.855 64.089 63.200 0.058 0.000 1.110 271 S HN 0.228 nan 8.310 nan 0.000 0.534 272 T N -1.581 112.874 114.554 -0.165 0.000 2.996 272 T HA -0.107 4.283 4.350 0.066 0.000 0.271 272 T C 0.713 175.155 174.700 -0.430 0.000 1.126 272 T CA 1.052 62.996 62.100 -0.259 0.000 1.103 272 T CB -0.821 67.818 68.868 -0.382 0.000 0.870 272 T HN 0.770 nan 8.240 nan 0.000 0.528 273 H N 1.198 120.234 119.070 -0.056 0.000 2.537 273 H HA 0.145 4.740 4.556 0.066 0.000 0.295 273 H C 1.807 177.041 175.328 -0.156 0.000 1.054 273 H CA 0.330 56.308 56.048 -0.117 0.000 1.156 273 H CB -0.485 29.247 29.762 -0.050 0.000 1.468 273 H HN 0.760 nan 8.280 nan 0.000 0.551 274 H N -0.428 118.654 119.070 0.021 0.000 2.489 274 H HA -0.024 4.572 4.556 0.066 0.000 0.293 274 H C 0.700 176.030 175.328 0.003 0.000 1.066 274 H CA 0.546 56.597 56.048 0.005 0.000 1.305 274 H CB 0.157 29.914 29.762 -0.008 0.000 1.386 274 H HN 0.172 nan 8.280 nan 0.000 0.551 275 N N 1.192 119.709 118.700 -0.306 0.000 2.463 275 N HA 0.019 4.799 4.740 0.066 0.000 0.181 275 N C 0.224 175.678 175.510 -0.094 0.000 1.078 275 N CA 0.102 53.078 53.050 -0.124 0.000 0.902 275 N CB 0.591 38.992 38.487 -0.143 0.000 0.970 275 N HN 0.094 nan 8.380 nan 0.000 0.451 276 V N 3.353 123.218 119.914 -0.081 0.000 2.585 276 V HA 0.028 4.188 4.120 0.066 0.000 0.296 276 V C 0.807 176.789 176.094 -0.186 0.000 1.035 276 V CA -0.153 62.088 62.300 -0.098 0.000 1.084 276 V CB 0.607 32.413 31.823 -0.027 0.000 0.953 276 V HN 0.091 nan 8.190 nan 0.000 0.483 277 R N 3.477 123.763 120.500 -0.358 0.000 2.531 277 R HA 0.495 4.875 4.340 0.066 0.000 0.273 277 R C -0.574 175.516 176.300 -0.349 0.000 1.070 277 R CA -0.813 55.033 56.100 -0.424 0.000 1.112 277 R CB 1.008 30.839 30.300 -0.782 0.000 1.049 277 R HN 0.507 nan 8.270 nan 0.000 0.508 278 L N 2.979 124.072 121.223 -0.218 0.000 2.305 278 L HA 0.414 4.794 4.340 0.066 0.000 0.284 278 L C -1.085 175.700 176.870 -0.143 0.000 1.013 278 L CA -0.221 54.504 54.840 -0.192 0.000 0.819 278 L CB 1.064 43.020 42.059 -0.172 0.000 1.227 278 L HN 0.418 nan 8.230 nan 0.000 0.417 279 L N 6.002 127.123 121.223 -0.171 0.000 2.309 279 L HA 0.565 4.945 4.340 0.066 0.000 0.282 279 L C 0.333 177.144 176.870 -0.098 0.000 1.036 279 L CA -0.672 54.099 54.840 -0.115 0.000 0.806 279 L CB 1.618 43.601 42.059 -0.127 0.000 1.220 279 L HN 0.772 nan 8.230 nan 0.000 0.429 280 M N 1.906 121.464 119.600 -0.071 0.000 2.527 280 M HA 0.525 5.045 4.480 0.066 0.000 0.283 280 M C 0.600 176.862 176.300 -0.064 0.000 1.188 280 M CA -0.327 54.939 55.300 -0.056 0.000 0.941 280 M CB 1.531 34.114 32.600 -0.027 0.000 1.498 280 M HN 0.484 nan 8.290 nan 0.000 0.510 281 L N 0.238 121.427 121.223 -0.056 0.000 3.782 281 L HA -0.349 4.030 4.340 0.066 0.000 0.053 281 L C 0.308 176.949 176.870 -0.382 0.000 4.256 281 L CA 2.977 57.657 54.840 -0.266 0.000 0.725 281 L CB -1.812 40.095 42.059 -0.254 0.000 3.466 281 L HN 1.177 nan 8.230 nan 0.000 0.901 282 D N 0.459 120.670 120.400 -0.316 0.000 2.697 282 D HA -0.089 4.590 4.640 0.066 0.000 0.238 282 D C -0.394 175.395 176.300 -0.852 0.000 1.152 282 D CA 1.447 55.204 54.000 -0.405 0.000 0.666 282 D CB -0.719 39.917 40.800 -0.274 0.000 1.037 282 D HN 0.705 nan 8.370 nan 0.000 0.423 283 D N -0.940 118.994 120.400 -0.777 0.000 2.768 283 D HA 0.148 4.828 4.640 0.066 0.000 0.327 283 D C -0.570 175.475 176.300 -0.424 0.000 1.302 283 D CA -0.446 53.117 54.000 -0.728 0.000 0.897 283 D CB 0.686 41.071 40.800 -0.692 0.000 1.420 283 D HN -0.107 nan 8.370 nan 0.000 0.494 284 Q N 0.889 120.523 119.800 -0.276 0.000 2.300 284 Q HA 0.092 4.472 4.340 0.066 0.000 0.280 284 Q C 1.104 177.013 176.000 -0.151 0.000 1.033 284 Q CA 0.202 55.935 55.803 -0.117 0.000 0.903 284 Q CB 0.416 29.115 28.738 -0.064 0.000 1.195 284 Q HN 0.517 nan 8.270 nan 0.000 0.386 285 R N 1.685 122.134 120.500 -0.085 0.000 2.241 285 R HA -0.169 4.211 4.340 0.066 0.000 0.224 285 R C 1.549 177.804 176.300 -0.074 0.000 1.101 285 R CA 1.360 57.414 56.100 -0.076 0.000 0.995 285 R CB -0.716 29.560 30.300 -0.040 0.000 0.870 285 R HN 0.497 nan 8.270 nan 0.000 0.463 286 L N -0.741 120.429 121.223 -0.089 0.000 2.353 286 L HA 0.005 4.385 4.340 0.066 0.000 0.220 286 L C 1.676 178.520 176.870 -0.043 0.000 1.133 286 L CA 1.412 56.206 54.840 -0.076 0.000 0.798 286 L CB -0.437 41.560 42.059 -0.103 0.000 0.922 286 L HN 0.109 nan 8.230 nan 0.000 0.445 287 L N -0.316 120.857 121.223 -0.083 0.000 2.610 287 L HA 0.145 4.524 4.340 0.066 0.000 0.232 287 L C 0.601 177.533 176.870 0.103 0.000 1.149 287 L CA 0.085 54.897 54.840 -0.046 0.000 0.872 287 L CB -0.261 41.543 42.059 -0.425 0.000 0.992 287 L HN 0.251 nan 8.230 nan 0.000 0.447 288 L N 0.622 121.880 121.223 0.059 0.000 2.322 288 L HA 0.300 4.680 4.340 0.066 0.000 0.279 288 L C -1.441 175.497 176.870 0.114 0.000 1.036 288 L CA -1.559 53.343 54.840 0.105 0.000 0.807 288 L CB 1.436 43.532 42.059 0.062 0.000 1.226 288 L HN -0.213 nan 8.230 nan 0.000 0.433 289 P HA -0.040 nan 4.420 nan 0.000 0.249 289 P C 0.994 178.425 177.300 0.219 0.000 1.229 289 P CA 0.512 63.727 63.100 0.192 0.000 0.788 289 P CB 0.105 31.930 31.700 0.208 0.000 1.072 290 H N -0.512 118.647 119.070 0.149 0.000 2.321 290 H HA -0.180 4.416 4.556 0.066 0.000 0.295 290 H C 1.400 176.816 175.328 0.147 0.000 1.102 290 H CA 2.207 58.340 56.048 0.143 0.000 1.266 290 H CB -0.749 29.102 29.762 0.148 0.000 1.363 290 H HN 0.037 nan 8.280 nan 0.000 0.492 291 W N 0.368 121.608 121.300 -0.100 0.000 2.388 291 W HA 0.012 4.712 4.660 0.066 0.000 0.294 291 W C 2.857 179.238 176.519 -0.230 0.000 1.212 291 W CA 1.875 59.113 57.345 -0.179 0.000 1.271 291 W CB -0.807 28.598 29.460 -0.091 0.000 1.126 291 W HN 0.373 nan 8.180 nan 0.000 0.535 292 A N 0.175 123.000 122.820 0.009 0.000 1.877 292 A HA -0.215 4.145 4.320 0.066 0.000 0.216 292 A C 1.952 179.257 177.584 -0.465 0.000 1.186 292 A CA 1.960 53.833 52.037 -0.273 0.000 0.620 292 A CB -0.698 18.159 19.000 -0.237 0.000 0.822 292 A HN 0.262 nan 8.150 nan 0.000 0.443 293 K N -0.447 119.855 120.400 -0.164 0.000 2.020 293 K HA -0.125 4.234 4.320 0.066 0.000 0.212 293 K C 1.899 178.397 176.600 -0.170 0.000 1.050 293 K CA 1.680 57.948 56.287 -0.031 0.000 0.929 293 K CB -0.490 32.060 32.500 0.085 0.000 0.714 293 K HN 0.294 nan 8.250 nan 0.000 0.443 294 V N 0.799 120.528 119.914 -0.309 0.000 2.287 294 V HA -0.243 3.917 4.120 0.066 0.000 0.248 294 V C 2.251 178.193 176.094 -0.254 0.000 1.053 294 V CA 1.689 63.795 62.300 -0.325 0.000 1.027 294 V CB -0.398 31.123 31.823 -0.503 0.000 0.646 294 V HN 0.113 nan 8.190 nan 0.000 0.447 295 V N -0.389 119.364 119.914 -0.268 0.000 2.323 295 V HA -0.149 4.010 4.120 0.066 0.000 0.244 295 V C 2.132 178.105 176.094 -0.202 0.000 1.041 295 V CA 1.758 63.933 62.300 -0.209 0.000 1.025 295 V CB -0.456 31.265 31.823 -0.170 0.000 0.656 295 V HN 0.435 nan 8.190 nan 0.000 0.451 296 L N 0.614 121.654 121.223 -0.305 0.000 2.492 296 L HA -0.031 4.349 4.340 0.066 0.000 0.223 296 L C 2.397 179.197 176.870 -0.117 0.000 1.132 296 L CA 1.349 56.003 54.840 -0.310 0.000 0.850 296 L CB -0.752 40.886 42.059 -0.702 0.000 0.966 296 L HN 0.541 nan 8.230 nan 0.000 0.454 297 T N -4.794 109.722 114.554 -0.064 0.000 3.100 297 T HA -0.043 4.347 4.350 0.066 0.000 0.253 297 T C 0.703 175.393 174.700 -0.016 0.000 1.118 297 T CA -0.189 61.928 62.100 0.028 0.000 1.058 297 T CB -0.169 68.735 68.868 0.060 0.000 0.953 297 T HN 0.056 nan 8.240 nan 0.000 0.515 298 D N 2.608 122.977 120.400 -0.052 0.000 2.347 298 D HA 0.241 4.920 4.640 0.066 0.000 0.235 298 D C -1.867 174.401 176.300 -0.052 0.000 1.149 298 D CA -2.552 51.418 54.000 -0.049 0.000 0.850 298 D CB 1.973 42.738 40.800 -0.058 0.000 1.061 298 D HN 0.012 nan 8.370 nan 0.000 0.487 299 P HA -0.073 nan 4.420 nan 0.000 0.219 299 P C 1.053 178.297 177.300 -0.094 0.000 1.150 299 P CA 0.618 63.680 63.100 -0.063 0.000 0.814 299 P CB 0.521 32.190 31.700 -0.052 0.000 0.787 300 E N -0.255 119.905 120.200 -0.066 0.000 2.106 300 E HA -0.112 4.278 4.350 0.066 0.000 0.192 300 E C 2.030 178.622 176.600 -0.014 0.000 0.984 300 E CA 1.405 57.775 56.400 -0.050 0.000 0.806 300 E CB -0.750 28.952 29.700 0.005 0.000 0.750 300 E HN 0.166 nan 8.360 nan 0.000 0.458 301 A N 1.367 124.181 122.820 -0.010 0.000 1.872 301 A HA 0.008 4.368 4.320 0.066 0.000 0.214 301 A C 2.424 179.983 177.584 -0.041 0.000 1.187 301 A CA 1.800 53.845 52.037 0.014 0.000 0.614 301 A CB -0.635 18.343 19.000 -0.037 0.000 0.826 301 A HN 0.251 nan 8.150 nan 0.000 0.442 302 A N 1.063 123.827 122.820 -0.093 0.000 1.978 302 A HA -0.210 4.150 4.320 0.066 0.000 0.220 302 A C 2.031 179.531 177.584 -0.140 0.000 1.170 302 A CA 2.004 53.977 52.037 -0.107 0.000 0.636 302 A CB -0.620 18.328 19.000 -0.086 0.000 0.810 302 A HN 0.738 nan 8.150 nan 0.000 0.448 303 K N -1.822 118.423 120.400 -0.259 0.000 2.362 303 K HA -0.085 4.275 4.320 0.066 0.000 0.200 303 K C 1.145 177.493 176.600 -0.419 0.000 1.046 303 K CA 1.463 57.525 56.287 -0.375 0.000 0.952 303 K CB -0.383 31.803 32.500 -0.523 0.000 0.753 303 K HN 0.605 nan 8.250 nan 0.000 0.466 304 Y N 0.966 121.221 120.300 -0.075 0.000 2.481 304 Y HA 0.175 4.765 4.550 0.066 0.000 0.258 304 Y C 0.453 176.298 175.900 -0.091 0.000 1.103 304 Y CA -0.835 57.209 58.100 -0.093 0.000 1.287 304 Y CB 1.001 39.378 38.460 -0.138 0.000 1.108 304 Y HN -0.215 nan 8.280 nan 0.000 0.529 305 V N 1.137 121.068 119.914 0.029 0.000 2.385 305 V HA -0.002 4.158 4.120 0.066 0.000 0.269 305 V C 0.699 176.803 176.094 0.016 0.000 1.043 305 V CA -0.129 62.167 62.300 -0.007 0.000 0.906 305 V CB 0.870 32.658 31.823 -0.057 0.000 0.995 305 V HN 0.337 nan 8.190 nan 0.000 0.467 306 H N 3.894 122.922 119.070 -0.070 0.000 2.465 306 H HA 0.402 4.998 4.556 0.067 0.000 0.289 306 H C 0.793 176.104 175.328 -0.027 0.000 1.022 306 H CA 1.076 57.092 56.048 -0.053 0.000 1.340 306 H CB 0.602 30.310 29.762 -0.091 0.000 1.437 306 H HN 0.768 nan 8.280 nan 0.000 0.539 307 G N -0.767 107.988 108.800 -0.076 0.000 2.550 307 G HA2 0.443 4.442 3.960 0.066 0.000 0.293 307 G HA3 0.443 4.442 3.960 0.066 0.000 0.293 307 G C -1.703 173.185 174.900 -0.021 0.000 1.402 307 G CA -0.705 44.345 45.100 -0.083 0.000 0.784 307 G HN 0.128 nan 8.290 nan 0.000 0.482 308 I N 1.067 121.652 120.570 0.026 0.000 2.418 308 I HA 0.577 4.787 4.170 0.066 0.000 0.287 308 I C 0.491 176.659 176.117 0.086 0.000 1.008 308 I CA -0.720 60.595 61.300 0.025 0.000 1.104 308 I CB 2.043 40.052 38.000 0.016 0.000 1.264 308 I HN 0.654 nan 8.210 nan 0.000 0.438 309 A N 6.702 129.558 122.820 0.060 0.000 2.301 309 A HA 0.755 5.115 4.320 0.066 0.000 0.298 309 A C -0.259 177.327 177.584 0.003 0.000 1.185 309 A CA -0.435 51.674 52.037 0.120 0.000 0.830 309 A CB 0.710 19.784 19.000 0.122 0.000 1.112 309 A HN 0.628 nan 8.150 nan 0.000 0.508 310 V N 0.925 120.850 119.914 0.020 0.000 2.769 310 V HA 0.655 4.814 4.120 0.066 0.000 0.312 310 V C -0.454 175.687 176.094 0.077 0.000 1.061 310 V CA -0.768 61.516 62.300 -0.028 0.000 0.931 310 V CB 1.250 33.054 31.823 -0.032 0.000 1.010 310 V HN 0.938 nan 8.190 nan 0.000 0.433 311 H N 2.775 121.767 119.070 -0.130 0.000 2.567 311 H HA 0.343 4.938 4.556 0.066 0.000 0.345 311 H C -0.411 174.893 175.328 -0.039 0.000 1.169 311 H CA -0.359 55.618 56.048 -0.117 0.000 1.227 311 H CB 2.212 32.010 29.762 0.060 0.000 1.607 311 H HN 0.979 nan 8.280 nan 0.000 0.534 312 W N 2.718 123.800 121.300 -0.363 0.000 3.278 312 W HA 0.043 4.742 4.660 0.065 0.000 0.308 312 W C -0.092 176.306 176.519 -0.202 0.000 1.253 312 W CA -0.289 56.871 57.345 -0.308 0.000 1.759 312 W CB -1.011 28.224 29.460 -0.375 0.000 1.093 312 W HN 0.657 nan 8.180 nan 0.000 0.648 313 Y N 1.521 121.956 120.300 0.226 0.000 2.333 313 Y HA -0.035 4.556 4.550 0.067 0.000 0.290 313 Y C 1.887 177.812 175.900 0.042 0.000 1.144 313 Y CA 1.456 59.598 58.100 0.069 0.000 1.228 313 Y CB -0.324 38.255 38.460 0.197 0.000 0.985 313 Y HN -0.155 nan 8.280 nan 0.000 0.542 314 L N -0.177 121.139 121.223 0.155 0.000 3.141 314 L HA 0.150 4.529 4.340 0.066 0.000 0.267 314 L C 0.496 177.301 176.870 -0.109 0.000 1.281 314 L CA -0.195 54.680 54.840 0.058 0.000 1.037 314 L CB 0.189 42.223 42.059 -0.042 0.000 1.407 314 L HN 0.035 nan 8.230 nan 0.000 0.566 315 D N 0.976 121.361 120.400 -0.024 0.000 2.221 315 D HA -0.220 4.459 4.640 0.066 0.000 0.204 315 D C 1.987 178.271 176.300 -0.026 0.000 0.982 315 D CA 1.371 55.345 54.000 -0.043 0.000 0.857 315 D CB 0.009 40.788 40.800 -0.035 0.000 0.934 315 D HN 0.509 nan 8.370 nan 0.000 0.475 316 F N -0.390 119.523 119.950 -0.061 0.000 2.333 316 F HA -0.073 4.493 4.527 0.066 0.000 0.300 316 F C 1.592 177.385 175.800 -0.011 0.000 1.083 316 F CA 0.663 58.647 58.000 -0.027 0.000 1.395 316 F CB -0.326 38.664 39.000 -0.017 0.000 1.056 316 F HN -0.118 nan 8.300 nan 0.000 0.529 317 L N 0.657 121.379 121.223 -0.836 0.000 2.558 317 L HA 0.334 4.714 4.340 0.066 0.000 0.225 317 L C 0.773 177.477 176.870 -0.276 0.000 1.128 317 L CA 0.742 55.218 54.840 -0.606 0.000 0.868 317 L CB -1.184 40.447 42.059 -0.713 0.000 1.006 317 L HN 0.392 nan 8.230 nan 0.000 0.454 318 A N 0.899 123.598 122.820 -0.202 0.000 2.943 318 A HA 0.580 4.940 4.320 0.066 0.000 0.327 318 A C -2.461 175.061 177.584 -0.105 0.000 1.141 318 A CA -1.044 50.914 52.037 -0.132 0.000 0.773 318 A CB 0.239 19.165 19.000 -0.123 0.000 1.143 318 A HN -0.098 nan 8.150 nan 0.000 0.463 319 P HA 0.183 nan 4.420 nan 0.000 0.265 319 P C 1.154 178.341 177.300 -0.188 0.000 1.193 319 P CA 0.501 63.537 63.100 -0.107 0.000 0.765 319 P CB 1.081 32.738 31.700 -0.073 0.000 0.823 320 A N 4.328 126.957 122.820 -0.319 0.000 1.933 320 A HA -0.228 4.132 4.320 0.066 0.000 0.218 320 A C 2.074 179.243 177.584 -0.693 0.000 1.175 320 A CA 1.807 53.508 52.037 -0.560 0.000 0.628 320 A CB -0.962 17.538 19.000 -0.835 0.000 0.814 320 A HN 0.604 nan 8.150 nan 0.000 0.444 321 K N -0.246 119.791 120.400 -0.605 0.000 2.057 321 K HA 0.012 4.372 4.320 0.066 0.000 0.206 321 K C 1.984 178.557 176.600 -0.047 0.000 1.050 321 K CA 1.160 57.312 56.287 -0.224 0.000 0.935 321 K CB -0.334 32.185 32.500 0.031 0.000 0.715 321 K HN 0.312 nan 8.250 nan 0.000 0.439 322 A N 0.517 123.300 122.820 -0.063 0.000 2.121 322 A HA -0.085 4.275 4.320 0.066 0.000 0.218 322 A C 1.863 179.449 177.584 0.003 0.000 1.154 322 A CA 1.862 53.891 52.037 -0.013 0.000 0.679 322 A CB -0.500 18.486 19.000 -0.022 0.000 0.795 322 A HN 0.680 nan 8.150 nan 0.000 0.458 323 T N -3.245 111.295 114.554 -0.024 0.000 3.518 323 T HA 0.219 4.609 4.350 0.066 0.000 0.211 323 T C 1.757 176.484 174.700 0.046 0.000 0.940 323 T CA 0.465 62.568 62.100 0.004 0.000 1.307 323 T CB -0.749 68.099 68.868 -0.035 0.000 1.392 323 T HN 0.085 nan 8.240 nan 0.000 0.382 324 L N 1.620 122.856 121.223 0.021 0.000 1.990 324 L HA 0.048 4.428 4.340 0.066 0.000 0.213 324 L C 3.153 180.164 176.870 0.236 0.000 1.072 324 L CA 1.915 56.826 54.840 0.118 0.000 0.755 324 L CB -1.354 40.767 42.059 0.104 0.000 0.889 324 L HN 0.624 nan 8.230 nan 0.000 0.432 325 G N -0.364 108.572 108.800 0.227 0.000 2.446 325 G HA2 -0.326 3.674 3.960 0.066 0.000 0.217 325 G HA3 -0.326 3.674 3.960 0.066 0.000 0.217 325 G C 1.503 176.559 174.900 0.259 0.000 1.168 325 G CA 1.043 46.377 45.100 0.390 0.000 0.771 325 G HN 0.365 nan 8.290 nan 0.000 0.551 326 E N 0.170 120.468 120.200 0.162 0.000 2.152 326 E HA -0.028 4.362 4.350 0.066 0.000 0.192 326 E C 2.606 179.277 176.600 0.118 0.000 0.983 326 E CA 1.445 57.914 56.400 0.115 0.000 0.818 326 E CB -0.425 29.328 29.700 0.088 0.000 0.758 326 E HN 0.318 nan 8.360 nan 0.000 0.467 327 T N 0.067 114.726 114.554 0.175 0.000 2.737 327 T HA -0.178 4.212 4.350 0.066 0.000 0.265 327 T C 1.621 176.448 174.700 0.212 0.000 1.038 327 T CA 1.360 63.608 62.100 0.248 0.000 1.144 327 T CB -0.545 68.457 68.868 0.224 0.000 0.866 327 T HN 0.382 nan 8.240 nan 0.000 0.434 328 H N 1.501 120.626 119.070 0.092 0.000 2.319 328 H HA -0.063 4.533 4.556 0.066 0.000 0.299 328 H C 2.629 177.904 175.328 -0.088 0.000 1.092 328 H CA 1.795 57.822 56.048 -0.034 0.000 1.302 328 H CB -0.099 29.517 29.762 -0.242 0.000 1.373 328 H HN 0.227 nan 8.280 nan 0.000 0.497 329 R N 0.248 120.652 120.500 -0.159 0.000 2.080 329 R HA -0.130 4.250 4.340 0.066 0.000 0.236 329 R C 2.831 178.957 176.300 -0.291 0.000 1.137 329 R CA 1.728 57.714 56.100 -0.191 0.000 0.943 329 R CB -0.184 30.092 30.300 -0.040 0.000 0.846 329 R HN 0.323 nan 8.270 nan 0.000 0.431 330 L N -0.766 120.265 121.223 -0.318 0.000 2.056 330 L HA -0.079 4.301 4.340 0.066 0.000 0.207 330 L C 0.518 176.777 176.870 -1.018 0.000 1.078 330 L CA 1.031 55.460 54.840 -0.684 0.000 0.749 330 L CB 0.012 41.611 42.059 -0.767 0.000 0.901 330 L HN 0.133 nan 8.230 nan 0.000 0.433 331 F N -0.841 119.037 119.950 -0.119 0.000 2.564 331 F HA 0.295 4.862 4.527 0.067 0.000 0.329 331 F C -1.644 174.060 175.800 -0.161 0.000 1.458 331 F CA -1.594 56.341 58.000 -0.108 0.000 1.117 331 F CB 0.175 39.140 39.000 -0.057 0.000 1.383 331 F HN -0.151 nan 8.300 nan 0.000 0.571 332 P HA -0.103 nan 4.420 nan 0.000 0.226 332 P C 0.564 177.843 177.300 -0.035 0.000 1.153 332 P CA 1.186 64.104 63.100 -0.303 0.000 0.777 332 P CB 0.377 31.804 31.700 -0.454 0.000 0.794 333 N N -0.523 118.177 118.700 0.000 0.000 2.398 333 N HA 0.012 4.792 4.740 0.066 0.000 0.188 333 N C 0.070 175.581 175.510 0.003 0.000 1.122 333 N CA 0.666 53.726 53.050 0.016 0.000 0.866 333 N CB -0.052 38.443 38.487 0.013 0.000 0.970 333 N HN 0.124 nan 8.380 nan 0.000 0.462 334 T N 2.720 117.291 114.554 0.029 0.000 2.821 334 T HA 0.304 4.694 4.350 0.066 0.000 0.307 334 T C 0.499 175.204 174.700 0.009 0.000 1.034 334 T CA -0.774 61.314 62.100 -0.020 0.000 0.953 334 T CB 0.727 69.594 68.868 -0.001 0.000 0.968 334 T HN 0.086 nan 8.240 nan 0.000 0.462 335 M N 3.228 122.788 119.600 -0.065 0.000 2.252 335 M HA 0.366 4.886 4.480 0.066 0.000 0.333 335 M C -0.863 175.502 176.300 0.107 0.000 1.111 335 M CA 0.243 55.566 55.300 0.038 0.000 1.140 335 M CB -0.304 32.306 32.600 0.016 0.000 1.538 335 M HN 0.340 nan 8.290 nan 0.000 0.448 336 L N 3.739 125.065 121.223 0.172 0.000 2.295 336 L HA 0.641 5.021 4.340 0.066 0.000 0.285 336 L C -1.065 175.953 176.870 0.247 0.000 1.035 336 L CA -0.203 54.747 54.840 0.184 0.000 0.806 336 L CB 0.975 43.139 42.059 0.175 0.000 1.214 336 L HN 0.802 nan 8.230 nan 0.000 0.426 337 F N 2.891 122.877 119.950 0.060 0.000 2.562 337 F HA 0.652 5.219 4.527 0.066 0.000 0.319 337 F C -0.095 175.706 175.800 0.001 0.000 1.154 337 F CA -0.807 57.226 58.000 0.056 0.000 0.931 337 F CB 1.355 40.435 39.000 0.133 0.000 1.198 337 F HN 0.450 nan 8.300 nan 0.000 0.444 338 A N 3.677 126.109 122.820 -0.646 0.000 2.396 338 A HA 0.443 4.803 4.320 0.066 0.000 0.279 338 A C 0.591 177.650 177.584 -0.875 0.000 1.165 338 A CA 0.409 52.058 52.037 -0.646 0.000 0.824 338 A CB -0.104 18.514 19.000 -0.636 0.000 1.100 338 A HN 1.000 nan 8.150 nan 0.000 0.516 339 S N 1.192 116.656 115.700 -0.394 0.000 2.505 339 S HA 0.270 4.780 4.470 0.066 0.000 0.216 339 S C 0.295 174.699 174.600 -0.326 0.000 1.018 339 S CA 0.164 58.289 58.200 -0.125 0.000 0.911 339 S CB 0.209 63.557 63.200 0.246 0.000 0.818 339 S HN 0.777 nan 8.310 nan 0.000 0.497 340 E N -0.108 119.697 120.200 -0.658 0.000 2.347 340 E HA 0.628 5.018 4.350 0.066 0.000 0.285 340 E C -1.952 174.014 176.600 -1.057 0.000 0.925 340 E CA -0.458 55.423 56.400 -0.865 0.000 0.779 340 E CB 2.027 31.010 29.700 -1.196 0.000 1.233 340 E HN 0.381 nan 8.360 nan 0.000 0.414 341 A N 2.069 124.230 122.820 -1.098 0.000 2.574 341 A HA 0.819 5.179 4.320 0.066 0.000 0.297 341 A C -1.179 175.947 177.584 -0.763 0.000 1.062 341 A CA -0.501 50.561 52.037 -1.625 0.000 0.686 341 A CB 0.915 18.341 19.000 -2.624 0.000 1.285 341 A HN 0.861 nan 8.150 nan 0.000 0.403 342 C N 0.124 119.240 119.300 -0.307 0.000 3.307 342 C HA 0.858 5.358 4.460 0.066 0.000 0.333 342 C C -0.289 175.120 174.990 0.697 0.000 1.291 342 C CA -0.214 59.001 59.018 0.328 0.000 1.273 342 C CB 0.578 28.602 27.740 0.475 0.000 1.580 342 C HN 1.970 nan 8.230 nan 0.000 0.481 343 V N 0.388 120.668 119.914 0.611 0.000 2.973 343 V HA 0.950 5.110 4.120 0.066 0.000 0.314 343 V C 1.024 177.305 176.094 0.312 0.000 1.066 343 V CA 0.608 63.212 62.300 0.507 0.000 1.021 343 V CB 0.764 32.812 31.823 0.375 0.000 1.076 343 V HN 2.929 nan 8.190 nan 0.000 0.462 344 G N 1.785 110.702 108.800 0.195 0.000 2.175 344 G HA2 -0.250 3.750 3.960 0.066 0.000 0.244 344 G HA3 -0.250 3.750 3.960 0.066 0.000 0.244 344 G C 0.862 175.813 174.900 0.085 0.000 0.982 344 G CA 1.051 46.211 45.100 0.100 0.000 0.641 344 G HN 2.024 nan 8.290 nan 0.000 0.527 345 S N -0.577 115.201 115.700 0.130 0.000 2.575 345 S HA 0.331 4.841 4.470 0.066 0.000 0.215 345 S C 0.959 175.496 174.600 -0.105 0.000 0.966 345 S CA 0.347 58.599 58.200 0.087 0.000 0.911 345 S CB 0.310 63.629 63.200 0.198 0.000 0.780 345 S HN 0.381 nan 8.310 nan 0.000 0.514 346 K N 0.969 121.187 120.400 -0.303 0.000 2.237 346 K HA 0.201 4.561 4.320 0.066 0.000 0.270 346 K C 0.606 176.775 176.600 -0.718 0.000 1.015 346 K CA -0.356 55.487 56.287 -0.740 0.000 0.949 346 K CB 0.468 32.135 32.500 -1.390 0.000 0.976 346 K HN 0.140 nan 8.250 nan 0.000 0.472 347 F N 0.941 120.544 119.950 -0.579 0.000 2.216 347 F HA -0.144 4.423 4.527 0.066 0.000 0.300 347 F C 1.611 177.377 175.800 -0.057 0.000 1.085 347 F CA 1.419 59.308 58.000 -0.185 0.000 1.326 347 F CB -0.307 38.694 39.000 0.003 0.000 1.027 347 F HN 0.808 nan 8.300 nan 0.000 0.497 348 W N 0.407 121.720 121.300 0.022 0.000 3.047 348 W HA 0.280 4.980 4.660 0.066 0.000 0.250 348 W C 0.459 176.992 176.519 0.023 0.000 1.314 348 W CA -0.134 57.221 57.345 0.017 0.000 1.540 348 W CB -1.017 28.445 29.460 0.003 0.000 1.127 348 W HN 0.055 nan 8.180 nan 0.000 0.679 349 E N 2.079 122.104 120.200 -0.291 0.000 2.331 349 E HA 0.016 4.406 4.350 0.066 0.000 0.272 349 E C -0.067 176.512 176.600 -0.035 0.000 1.036 349 E CA -0.582 55.738 56.400 -0.134 0.000 0.864 349 E CB 0.712 30.274 29.700 -0.229 0.000 1.035 349 E HN 0.072 nan 8.360 nan 0.000 0.408 350 Q N 2.041 121.840 119.800 -0.001 0.000 2.263 350 Q HA -0.044 4.336 4.340 0.066 0.000 0.289 350 Q C 0.276 176.275 176.000 -0.002 0.000 1.061 350 Q CA -0.004 55.797 55.803 -0.002 0.000 0.927 350 Q CB 0.644 29.357 28.738 -0.042 0.000 1.154 350 Q HN 0.601 nan 8.270 nan 0.000 0.378 351 S N 2.572 118.295 115.700 0.039 0.000 2.365 351 S HA -0.105 4.404 4.470 0.066 0.000 0.221 351 S C 0.411 175.037 174.600 0.044 0.000 1.037 351 S CA 0.990 59.239 58.200 0.082 0.000 1.060 351 S CB 0.189 63.480 63.200 0.151 0.000 0.974 351 S HN 0.553 nan 8.310 nan 0.000 0.427 352 V N 2.054 121.966 119.914 -0.003 0.000 2.409 352 V HA 0.412 4.572 4.120 0.066 0.000 0.291 352 V C -0.124 175.902 176.094 -0.113 0.000 1.020 352 V CA -0.514 61.764 62.300 -0.037 0.000 0.848 352 V CB 1.460 33.260 31.823 -0.038 0.000 0.990 352 V HN 0.217 nan 8.190 nan 0.000 0.430 353 R N 4.673 125.066 120.500 -0.179 0.000 2.505 353 R HA 0.442 4.822 4.340 0.066 0.000 0.284 353 R C -0.742 175.463 176.300 -0.159 0.000 1.324 353 R CA -0.566 55.276 56.100 -0.431 0.000 1.432 353 R CB 0.867 30.841 30.300 -0.543 0.000 1.107 353 R HN 0.639 nan 8.270 nan 0.000 0.587 354 L N 2.145 123.375 121.223 0.011 0.000 2.745 354 L HA -0.054 4.326 4.340 0.066 0.000 0.273 354 L C 1.269 178.290 176.870 0.252 0.000 1.156 354 L CA 0.931 55.764 54.840 -0.012 0.000 0.982 354 L CB 0.231 41.953 42.059 -0.563 0.000 1.295 354 L HN 0.961 nan 8.230 nan 0.000 0.483 355 G N 1.966 110.884 108.800 0.196 0.000 2.144 355 G HA2 -0.262 3.738 3.960 0.066 0.000 0.218 355 G HA3 -0.262 3.738 3.960 0.066 0.000 0.218 355 G C 0.351 175.416 174.900 0.275 0.000 0.988 355 G CA 0.104 45.363 45.100 0.265 0.000 0.659 355 G HN 0.639 nan 8.290 nan 0.000 0.522 356 S N 0.015 115.827 115.700 0.187 0.000 2.509 356 S HA 0.202 4.711 4.470 0.066 0.000 0.287 356 S C 1.300 176.005 174.600 0.175 0.000 1.248 356 S CA 0.534 58.819 58.200 0.142 0.000 1.089 356 S CB -0.104 63.094 63.200 -0.003 0.000 0.900 356 S HN 0.443 nan 8.310 nan 0.000 0.496 357 W N 4.521 125.841 121.300 0.033 0.000 2.388 357 W HA -0.139 4.560 4.660 0.065 0.000 0.294 357 W C 1.491 177.991 176.519 -0.031 0.000 1.212 357 W CA 1.584 58.944 57.345 0.025 0.000 1.271 357 W CB -0.418 29.056 29.460 0.023 0.000 1.126 357 W HN 0.910 nan 8.180 nan 0.000 0.535 358 D N 0.144 120.583 120.400 0.065 0.000 2.116 358 D HA -0.237 4.443 4.640 0.066 0.000 0.193 358 D C 2.184 178.423 176.300 -0.100 0.000 0.998 358 D CA 2.080 56.075 54.000 -0.008 0.000 0.836 358 D CB -0.156 40.667 40.800 0.039 0.000 0.951 358 D HN 0.044 nan 8.370 nan 0.000 0.449 359 R N -0.498 119.945 120.500 -0.095 0.000 2.115 359 R HA 0.030 4.410 4.340 0.066 0.000 0.230 359 R C 2.493 178.625 176.300 -0.280 0.000 1.111 359 R CA 1.117 57.155 56.100 -0.102 0.000 0.976 359 R CB -0.449 29.804 30.300 -0.079 0.000 0.870 359 R HN 0.251 nan 8.270 nan 0.000 0.445 360 G N 1.022 109.526 108.800 -0.494 0.000 2.433 360 G HA2 -0.271 3.729 3.960 0.066 0.000 0.216 360 G HA3 -0.271 3.729 3.960 0.066 0.000 0.216 360 G C 1.431 175.650 174.900 -1.136 0.000 1.186 360 G CA 0.736 45.272 45.100 -0.940 0.000 0.779 360 G HN 0.149 nan 8.290 nan 0.000 0.543 361 M N 0.140 119.139 119.600 -1.002 0.000 2.202 361 M HA -0.134 4.386 4.480 0.066 0.000 0.262 361 M C 2.762 179.050 176.300 -0.020 0.000 1.063 361 M CA 1.353 56.419 55.300 -0.390 0.000 1.097 361 M CB -0.419 32.087 32.600 -0.155 0.000 1.382 361 M HN 0.316 nan 8.290 nan 0.000 0.413 362 Q N -0.556 119.274 119.800 0.050 0.000 2.061 362 Q HA -0.200 4.180 4.340 0.066 0.000 0.204 362 Q C 1.968 178.299 176.000 0.552 0.000 0.984 362 Q CA 1.571 57.564 55.803 0.317 0.000 0.846 362 Q CB -0.264 28.714 28.738 0.399 0.000 0.902 362 Q HN 0.477 nan 8.270 nan 0.000 0.421 363 Y N 0.855 121.249 120.300 0.157 0.000 2.114 363 Y HA -0.237 4.353 4.550 0.066 0.000 0.284 363 Y C 2.891 178.636 175.900 -0.260 0.000 1.143 363 Y CA 1.440 59.495 58.100 -0.076 0.000 1.135 363 Y CB -0.818 37.547 38.460 -0.159 0.000 0.980 363 Y HN 0.202 nan 8.280 nan 0.000 0.499 364 S N -1.230 114.547 115.700 0.128 0.000 2.387 364 S HA -0.211 4.299 4.470 0.066 0.000 0.226 364 S C 2.034 176.709 174.600 0.125 0.000 1.026 364 S CA 1.274 59.583 58.200 0.182 0.000 0.972 364 S CB -0.930 62.609 63.200 0.565 0.000 0.814 364 S HN 0.632 nan 8.310 nan 0.000 0.477 365 H N 1.332 120.461 119.070 0.098 0.000 2.353 365 H HA -0.048 4.548 4.556 0.066 0.000 0.300 365 H C 2.395 177.761 175.328 0.063 0.000 1.090 365 H CA 1.716 57.822 56.048 0.096 0.000 1.327 365 H CB -0.429 29.400 29.762 0.112 0.000 1.383 365 H HN 0.563 nan 8.280 nan 0.000 0.508 366 S N 0.155 115.892 115.700 0.062 0.000 2.368 366 S HA -0.106 4.404 4.470 0.066 0.000 0.225 366 S C 2.391 176.894 174.600 -0.161 0.000 1.030 366 S CA 1.299 59.551 58.200 0.087 0.000 0.999 366 S CB -0.394 63.163 63.200 0.595 0.000 0.844 366 S HN 0.448 nan 8.310 nan 0.000 0.459 367 I N 1.095 121.304 120.570 -0.602 0.000 2.142 367 I HA -0.176 4.034 4.170 0.066 0.000 0.240 367 I C 2.313 178.157 176.117 -0.456 0.000 1.078 367 I CA 1.489 62.255 61.300 -0.891 0.000 1.343 367 I CB -0.458 36.547 38.000 -1.658 0.000 1.046 367 I HN 0.326 nan 8.210 nan 0.000 0.405 368 I N 0.375 120.767 120.570 -0.296 0.000 2.208 368 I HA -0.305 3.905 4.170 0.066 0.000 0.245 368 I C 2.560 178.634 176.117 -0.073 0.000 1.097 368 I CA 1.705 62.974 61.300 -0.052 0.000 1.363 368 I CB -0.595 37.455 38.000 0.082 0.000 1.051 368 I HN 0.268 nan 8.210 nan 0.000 0.413 369 T N 0.305 114.783 114.554 -0.126 0.000 2.737 369 T HA -0.140 4.250 4.350 0.066 0.000 0.265 369 T C 1.696 176.438 174.700 0.071 0.000 1.038 369 T CA 1.392 63.464 62.100 -0.046 0.000 1.144 369 T CB -0.437 68.327 68.868 -0.173 0.000 0.866 369 T HN 0.381 nan 8.240 nan 0.000 0.434 370 N N 1.120 119.840 118.700 0.033 0.000 2.036 370 N HA -0.079 4.701 4.740 0.066 0.000 0.195 370 N C 1.930 177.463 175.510 0.038 0.000 1.037 370 N CA 1.229 54.328 53.050 0.080 0.000 0.855 370 N CB -0.371 38.196 38.487 0.134 0.000 1.033 370 N HN 0.302 nan 8.380 nan 0.000 0.423 371 L N 1.224 122.438 121.223 -0.014 0.000 2.079 371 L HA -0.147 4.233 4.340 0.066 0.000 0.210 371 L C 2.206 178.979 176.870 -0.163 0.000 1.081 371 L CA 0.833 55.649 54.840 -0.039 0.000 0.752 371 L CB -0.358 41.710 42.059 0.016 0.000 0.896 371 L HN 0.198 nan 8.230 nan 0.000 0.433 372 L N -1.804 119.304 121.223 -0.190 0.000 2.465 372 L HA -0.146 4.234 4.340 0.066 0.000 0.224 372 L C 0.742 177.137 176.870 -0.792 0.000 1.145 372 L CA 0.710 55.288 54.840 -0.437 0.000 0.834 372 L CB -0.111 41.746 42.059 -0.338 0.000 0.944 372 L HN 0.248 nan 8.230 nan 0.000 0.451 373 Y N -1.135 118.958 120.300 -0.344 0.000 2.736 373 Y HA 0.228 4.819 4.550 0.069 0.000 0.293 373 Y C 0.448 176.218 175.900 -0.217 0.000 1.062 373 Y CA -0.569 57.328 58.100 -0.339 0.000 1.247 373 Y CB -0.261 38.149 38.460 -0.084 0.000 1.200 373 Y HN 0.152 nan 8.280 nan 0.000 0.552 374 H N -3.191 115.820 119.070 -0.098 0.000 3.628 374 H HA -0.143 4.453 4.556 0.066 0.000 0.173 374 H C 0.101 175.432 175.328 0.006 0.000 0.941 374 H CA 0.530 56.507 56.048 -0.119 0.000 1.224 374 H CB -1.588 27.992 29.762 -0.303 0.000 0.992 374 H HN 0.071 nan 8.280 nan 0.000 0.383 375 V N 2.828 122.803 119.914 0.103 0.000 2.637 375 V HA 0.053 4.213 4.120 0.066 0.000 0.296 375 V C 2.015 178.148 176.094 0.065 0.000 1.046 375 V CA 0.747 63.105 62.300 0.097 0.000 1.066 375 V CB 1.552 33.415 31.823 0.067 0.000 0.968 375 V HN 0.332 nan 8.190 nan 0.000 0.483 376 V N 1.290 121.264 119.914 0.099 0.000 3.650 376 V HA 0.669 4.829 4.120 0.066 0.000 0.271 376 V C 0.691 176.770 176.094 -0.024 0.000 1.281 376 V CA 0.910 63.263 62.300 0.089 0.000 1.120 376 V CB -0.185 31.744 31.823 0.176 0.000 0.856 376 V HN 1.019 nan 8.190 nan 0.000 0.443 377 G N -1.456 107.256 108.800 -0.147 0.000 2.523 377 G HA2 0.464 4.463 3.960 0.066 0.000 0.291 377 G HA3 0.464 4.463 3.960 0.066 0.000 0.291 377 G C -2.647 171.845 174.900 -0.680 0.000 1.450 377 G CA -0.568 44.231 45.100 -0.501 0.000 0.790 377 G HN 0.311 nan 8.290 nan 0.000 0.496 378 W N 0.707 121.482 121.300 -0.875 0.000 3.259 378 W HA 0.617 5.318 4.660 0.068 0.000 0.331 378 W C -0.819 175.425 176.519 -0.458 0.000 1.144 378 W CA -0.439 56.542 57.345 -0.606 0.000 1.227 378 W CB 2.442 31.729 29.460 -0.289 0.000 1.371 378 W HN 0.566 nan 8.180 nan 0.000 0.491 379 T N 4.179 118.387 114.554 -0.576 0.000 2.815 379 T HA 0.131 4.521 4.350 0.066 0.000 0.289 379 T C -0.716 173.607 174.700 -0.628 0.000 1.000 379 T CA -0.501 61.360 62.100 -0.398 0.000 0.958 379 T CB 1.300 70.048 68.868 -0.199 0.000 0.944 379 T HN 0.350 nan 8.240 nan 0.000 0.442 380 D N 1.299 121.503 120.400 -0.326 0.000 2.361 380 D HA 0.125 4.805 4.640 0.066 0.000 0.239 380 D C 0.318 176.597 176.300 -0.035 0.000 1.200 380 D CA -0.381 53.482 54.000 -0.228 0.000 0.915 380 D CB 0.836 41.707 40.800 0.119 0.000 1.170 380 D HN 0.543 nan 8.370 nan 0.000 0.444 381 W N 1.920 123.086 121.300 -0.222 0.000 1.671 381 W HA 0.109 4.808 4.660 0.066 0.000 0.623 381 W C 0.211 176.672 176.519 -0.097 0.000 1.691 381 W CA -0.757 56.505 57.345 -0.138 0.000 1.837 381 W CB 0.064 29.457 29.460 -0.112 0.000 3.103 381 W HN 0.241 nan 8.180 nan 0.000 0.789 382 N N 2.661 120.967 118.700 -0.656 0.000 2.132 382 N HA -0.172 4.608 4.740 0.066 0.000 0.280 382 N C 0.839 176.228 175.510 -0.202 0.000 1.318 382 N CA 0.796 53.464 53.050 -0.636 0.000 0.822 382 N CB 0.572 38.522 38.487 -0.896 0.000 1.058 382 N HN 0.334 nan 8.380 nan 0.000 0.489 383 L N 1.182 122.338 121.223 -0.113 0.000 2.201 383 L HA -0.066 4.314 4.340 0.066 0.000 0.212 383 L C 1.081 178.056 176.870 0.176 0.000 1.105 383 L CA 0.934 55.786 54.840 0.020 0.000 0.775 383 L CB -0.141 41.922 42.059 0.008 0.000 0.913 383 L HN 0.609 nan 8.230 nan 0.000 0.440 384 A N -0.709 122.137 122.820 0.043 0.000 2.574 384 A HA 0.752 5.112 4.320 0.066 0.000 0.297 384 A C -1.136 176.432 177.584 -0.026 0.000 1.062 384 A CA -0.485 51.581 52.037 0.048 0.000 0.686 384 A CB 1.404 20.428 19.000 0.041 0.000 1.285 384 A HN -0.013 nan 8.150 nan 0.000 0.403 385 L N 0.956 122.179 121.223 0.000 0.000 2.277 385 L HA 0.524 4.904 4.340 0.066 0.000 0.254 385 L C -0.069 176.821 176.870 0.032 0.000 1.044 385 L CA -1.268 53.577 54.840 0.009 0.000 0.842 385 L CB 2.162 44.224 42.059 0.004 0.000 1.422 385 L HN 0.977 nan 8.230 nan 0.000 0.422 386 N N -0.476 118.243 118.700 0.032 0.000 2.413 386 N HA 0.308 5.088 4.740 0.066 0.000 0.266 386 N C -2.428 173.078 175.510 -0.007 0.000 1.238 386 N CA -1.797 51.261 53.050 0.013 0.000 0.972 386 N CB -0.054 38.433 38.487 -0.001 0.000 1.210 386 N HN 0.152 nan 8.380 nan 0.000 0.547 387 P HA -0.097 nan 4.420 nan 0.000 0.225 387 P C 0.673 177.917 177.300 -0.092 0.000 1.148 387 P CA 1.121 64.201 63.100 -0.034 0.000 0.779 387 P CB 0.177 31.871 31.700 -0.011 0.000 0.780 388 E N -0.645 119.456 120.200 -0.166 0.000 2.371 388 E HA 0.040 4.430 4.350 0.066 0.000 0.194 388 E C 0.913 177.301 176.600 -0.353 0.000 1.012 388 E CA 0.657 56.853 56.400 -0.340 0.000 0.860 388 E CB -0.403 28.952 29.700 -0.576 0.000 0.811 388 E HN 0.131 nan 8.360 nan 0.000 0.502 389 G N -0.167 108.555 108.800 -0.129 0.000 2.131 389 G HA2 -0.166 3.834 3.960 0.066 0.000 0.201 389 G HA3 -0.166 3.834 3.960 0.066 0.000 0.201 389 G C 0.143 175.252 174.900 0.348 0.000 1.000 389 G CA -0.037 45.126 45.100 0.105 0.000 0.680 389 G HN 0.579 nan 8.290 nan 0.000 0.514 390 G N -0.752 108.155 108.800 0.178 0.000 3.222 390 G HA2 0.892 4.892 3.960 0.066 0.000 0.263 390 G HA3 0.892 4.892 3.960 0.066 0.000 0.263 390 G C -2.885 172.158 174.900 0.238 0.000 1.312 390 G CA -0.653 44.671 45.100 0.373 0.000 0.934 390 G HN 0.220 nan 8.290 nan 0.000 0.577 391 P HA 0.219 nan 4.420 nan 0.000 0.276 391 P C -1.106 176.307 177.300 0.190 0.000 1.252 391 P CA -0.378 62.867 63.100 0.242 0.000 0.802 391 P CB 1.414 33.206 31.700 0.152 0.000 1.035 392 N N 1.158 119.901 118.700 0.072 0.000 2.600 392 N HA 0.034 4.814 4.740 0.066 0.000 0.272 392 N C 0.715 176.077 175.510 -0.247 0.000 1.095 392 N CA -0.548 52.295 53.050 -0.345 0.000 0.993 392 N CB 0.864 38.818 38.487 -0.888 0.000 1.603 392 N HN 0.540 nan 8.380 nan 0.000 0.526 393 W N 4.076 125.201 121.300 -0.292 0.000 2.525 393 W HA 0.055 4.755 4.660 0.066 0.000 0.259 393 W C 0.455 176.848 176.519 -0.211 0.000 1.253 393 W CA 0.780 58.014 57.345 -0.185 0.000 1.262 393 W CB -0.873 28.512 29.460 -0.124 0.000 1.122 393 W HN 0.252 nan 8.180 nan 0.000 0.607 394 V N -1.071 118.268 119.914 -0.958 0.000 3.376 394 V HA 0.389 4.549 4.120 0.066 0.000 0.313 394 V C 1.112 176.781 176.094 -0.708 0.000 1.393 394 V CA -0.454 61.306 62.300 -0.900 0.000 1.125 394 V CB -0.924 30.270 31.823 -1.049 0.000 1.037 394 V HN 0.172 nan 8.190 nan 0.000 0.440 395 R N 0.995 121.012 120.500 -0.805 0.000 3.641 395 R HA -0.232 4.148 4.340 0.066 0.000 0.286 395 R C 0.559 176.047 176.300 -1.353 0.000 1.153 395 R CA 1.081 56.389 56.100 -1.321 0.000 0.775 395 R CB -2.397 27.454 30.300 -0.747 0.000 1.215 395 R HN 0.813 nan 8.270 nan 0.000 0.474 396 N N 1.135 119.227 118.700 -1.012 0.000 3.303 396 N HA 0.056 4.836 4.740 0.066 0.000 0.304 396 N C -0.465 174.813 175.510 -0.387 0.000 1.302 396 N CA -0.154 52.526 53.050 -0.617 0.000 1.213 396 N CB 0.118 38.284 38.487 -0.536 0.000 1.481 396 N HN 0.108 nan 8.380 nan 0.000 0.546 397 F N 0.727 120.640 119.950 -0.062 0.000 2.518 397 F HA 0.135 4.702 4.527 0.066 0.000 0.359 397 F C 1.127 177.051 175.800 0.207 0.000 1.118 397 F CA -0.622 57.441 58.000 0.106 0.000 1.287 397 F CB 0.744 39.777 39.000 0.054 0.000 1.132 397 F HN -0.054 nan 8.300 nan 0.000 0.587 398 V N -1.360 118.871 119.914 0.528 0.000 3.084 398 V HA 0.597 4.756 4.120 0.066 0.000 0.311 398 V C -1.196 175.032 176.094 0.224 0.000 1.311 398 V CA -0.913 61.596 62.300 0.348 0.000 1.062 398 V CB 1.855 33.923 31.823 0.409 0.000 1.113 398 V HN 0.572 nan 8.190 nan 0.000 0.468 399 D N 0.071 120.577 120.400 0.177 0.000 2.332 399 D HA 0.727 5.407 4.640 0.066 0.000 0.252 399 D C -0.741 175.617 176.300 0.097 0.000 1.050 399 D CA 0.188 54.254 54.000 0.110 0.000 0.970 399 D CB 2.053 42.903 40.800 0.085 0.000 1.141 399 D HN 0.959 nan 8.370 nan 0.000 0.485 400 S N 0.444 116.187 115.700 0.071 0.000 2.541 400 S HA 0.481 4.991 4.470 0.066 0.000 0.271 400 S C -2.298 172.373 174.600 0.118 0.000 1.133 400 S CA -1.280 56.974 58.200 0.090 0.000 0.876 400 S CB 1.783 65.006 63.200 0.037 0.000 1.105 400 S HN 0.113 nan 8.310 nan 0.000 0.470 401 P HA 0.134 nan 4.420 nan 0.000 0.221 401 P C -0.336 177.086 177.300 0.204 0.000 1.145 401 P CA 1.077 64.311 63.100 0.222 0.000 0.795 401 P CB 0.026 31.964 31.700 0.398 0.000 0.775 402 I N -0.168 120.518 120.570 0.193 0.000 2.418 402 I HA 0.250 4.460 4.170 0.066 0.000 0.287 402 I C -0.454 175.737 176.117 0.122 0.000 1.008 402 I CA -0.916 60.455 61.300 0.119 0.000 1.104 402 I CB 2.117 40.123 38.000 0.010 0.000 1.264 402 I HN -0.286 nan 8.210 nan 0.000 0.438 403 I N 6.946 127.612 120.570 0.160 0.000 2.378 403 I HA 0.342 4.552 4.170 0.066 0.000 0.291 403 I C -0.011 176.174 176.117 0.114 0.000 0.992 403 I CA -0.756 60.632 61.300 0.147 0.000 1.154 403 I CB 1.914 40.022 38.000 0.181 0.000 1.315 403 I HN 0.129 nan 8.210 nan 0.000 0.448 404 V N 5.566 125.514 119.914 0.058 0.000 2.407 404 V HA 0.227 4.386 4.120 0.066 0.000 0.278 404 V C 0.007 176.101 176.094 -0.000 0.000 1.037 404 V CA -0.399 61.909 62.300 0.013 0.000 0.900 404 V CB 1.668 33.495 31.823 0.007 0.000 0.983 404 V HN 0.591 nan 8.190 nan 0.000 0.459 405 D N 4.136 124.498 120.400 -0.064 0.000 2.479 405 D HA 0.310 4.989 4.640 0.066 0.000 0.247 405 D C 1.007 177.304 176.300 -0.004 0.000 1.119 405 D CA -0.452 53.543 54.000 -0.009 0.000 0.922 405 D CB 0.900 41.693 40.800 -0.013 0.000 1.014 405 D HN 0.414 nan 8.370 nan 0.000 0.510 406 I N 0.936 121.513 120.570 0.012 0.000 2.194 406 I HA -0.259 3.951 4.170 0.066 0.000 0.246 406 I C 2.339 178.466 176.117 0.017 0.000 1.093 406 I CA 1.619 62.927 61.300 0.014 0.000 1.355 406 I CB -1.423 36.587 38.000 0.016 0.000 1.046 406 I HN 0.315 nan 8.210 nan 0.000 0.413 407 T N -1.693 112.876 114.554 0.024 0.000 3.025 407 T HA -0.050 4.340 4.350 0.066 0.000 0.270 407 T C 1.405 176.121 174.700 0.026 0.000 1.126 407 T CA 1.065 63.181 62.100 0.027 0.000 1.105 407 T CB -0.370 68.518 68.868 0.034 0.000 0.884 407 T HN 0.508 nan 8.240 nan 0.000 0.522 408 K N 0.379 120.792 120.400 0.022 0.000 2.402 408 K HA 0.147 4.506 4.320 0.066 0.000 0.204 408 K C 0.044 176.642 176.600 -0.004 0.000 1.056 408 K CA 0.122 56.418 56.287 0.015 0.000 1.069 408 K CB 0.428 32.946 32.500 0.030 0.000 0.888 408 K HN 0.147 nan 8.250 nan 0.000 0.546 409 D N 2.192 122.593 120.400 0.001 0.000 2.704 409 D HA -0.153 4.527 4.640 0.066 0.000 0.232 409 D C -1.238 175.060 176.300 -0.002 0.000 1.183 409 D CA 1.104 55.110 54.000 0.010 0.000 0.647 409 D CB -0.767 40.044 40.800 0.018 0.000 1.013 409 D HN 0.084 nan 8.370 nan 0.000 0.415 410 T N 0.717 115.240 114.554 -0.051 0.000 2.909 410 T HA 0.667 5.057 4.350 0.066 0.000 0.299 410 T C -0.432 174.142 174.700 -0.211 0.000 1.073 410 T CA -0.694 61.300 62.100 -0.176 0.000 0.999 410 T CB 1.013 69.728 68.868 -0.256 0.000 1.098 410 T HN 0.200 nan 8.240 nan 0.000 0.477 411 F N 0.280 119.991 119.950 -0.397 0.000 2.577 411 F HA 0.828 5.394 4.527 0.066 0.000 0.318 411 F C -1.730 173.801 175.800 -0.448 0.000 1.065 411 F CA -1.526 56.217 58.000 -0.429 0.000 0.929 411 F CB 1.176 40.043 39.000 -0.222 0.000 1.237 411 F HN 0.497 nan 8.300 nan 0.000 0.468 412 Y N 1.425 121.789 120.300 0.106 0.000 2.328 412 Y HA 0.431 5.021 4.550 0.066 0.000 0.336 412 Y C -0.430 175.500 175.900 0.049 0.000 0.960 412 Y CA -1.248 56.874 58.100 0.036 0.000 1.134 412 Y CB 1.905 40.393 38.460 0.047 0.000 1.166 412 Y HN 0.408 nan 8.280 nan 0.000 0.464 413 K N 4.728 125.214 120.400 0.143 0.000 2.262 413 K HA 0.253 4.613 4.320 0.066 0.000 0.282 413 K C -0.441 176.328 176.600 0.280 0.000 1.066 413 K CA -0.543 55.758 56.287 0.024 0.000 0.901 413 K CB 1.165 33.446 32.500 -0.365 0.000 1.089 413 K HN 0.667 nan 8.250 nan 0.000 0.476 414 Q N 2.386 122.339 119.800 0.256 0.000 2.256 414 Q HA 0.106 4.486 4.340 0.066 0.000 0.232 414 Q C -1.708 174.553 176.000 0.435 0.000 0.965 414 Q CA -1.920 54.057 55.803 0.291 0.000 0.908 414 Q CB 0.589 29.428 28.738 0.168 0.000 1.209 414 Q HN 0.231 nan 8.270 nan 0.000 0.489 415 P HA -0.227 nan 4.420 nan 0.000 0.217 415 P C 1.211 178.692 177.300 0.303 0.000 1.151 415 P CA 1.763 65.123 63.100 0.435 0.000 0.849 415 P CB 0.079 31.929 31.700 0.250 0.000 0.787 416 M N -2.850 116.779 119.600 0.050 0.000 2.106 416 M HA -0.213 4.307 4.480 0.066 0.000 0.259 416 M C 2.035 178.432 176.300 0.162 0.000 1.068 416 M CA 1.871 57.101 55.300 -0.117 0.000 1.100 416 M CB -0.934 31.372 32.600 -0.490 0.000 1.351 416 M HN -0.081 nan 8.290 nan 0.000 0.404 417 F N 0.181 120.164 119.950 0.055 0.000 2.095 417 F HA -0.296 4.271 4.527 0.067 0.000 0.298 417 F C 1.887 177.629 175.800 -0.096 0.000 1.104 417 F CA 1.796 59.759 58.000 -0.062 0.000 1.232 417 F CB -0.437 38.353 39.000 -0.350 0.000 0.987 417 F HN 0.026 nan 8.300 nan 0.000 0.475 418 Y N -0.893 119.625 120.300 0.364 0.000 2.263 418 Y HA -0.170 4.419 4.550 0.066 0.000 0.292 418 Y C 2.793 178.844 175.900 0.252 0.000 1.130 418 Y CA 1.659 59.931 58.100 0.287 0.000 1.179 418 Y CB -0.912 37.789 38.460 0.402 0.000 0.998 418 Y HN 0.155 nan 8.280 nan 0.000 0.532 419 H N -0.366 118.876 119.070 0.288 0.000 2.321 419 H HA -0.166 4.430 4.556 0.066 0.000 0.300 419 H C 2.356 177.843 175.328 0.265 0.000 1.087 419 H CA 1.763 57.940 56.048 0.215 0.000 1.319 419 H CB -0.364 29.426 29.762 0.047 0.000 1.379 419 H HN 0.323 nan 8.280 nan 0.000 0.501 420 L N 0.037 121.426 121.223 0.276 0.000 2.042 420 L HA -0.135 4.245 4.340 0.066 0.000 0.210 420 L C 2.743 179.622 176.870 0.015 0.000 1.076 420 L CA 1.246 56.173 54.840 0.145 0.000 0.749 420 L CB -0.518 41.657 42.059 0.194 0.000 0.893 420 L HN 0.303 nan 8.230 nan 0.000 0.432 421 G N -2.243 106.463 108.800 -0.156 0.000 2.443 421 G HA2 -0.241 3.758 3.960 0.066 0.000 0.219 421 G HA3 -0.241 3.758 3.960 0.066 0.000 0.219 421 G C 1.319 176.031 174.900 -0.313 0.000 1.131 421 G CA 0.233 45.131 45.100 -0.337 0.000 0.775 421 G HN 0.443 nan 8.290 nan 0.000 0.547 422 H N -0.621 118.353 119.070 -0.161 0.000 2.489 422 H HA -0.045 4.551 4.556 0.066 0.000 0.295 422 H C 1.857 176.921 175.328 -0.440 0.000 1.082 422 H CA 1.220 57.140 56.048 -0.214 0.000 1.295 422 H CB 0.077 29.646 29.762 -0.321 0.000 1.380 422 H HN 0.495 nan 8.280 nan 0.000 0.548 423 F N -0.196 119.624 119.950 -0.216 0.000 2.390 423 F HA -0.062 4.504 4.527 0.066 0.000 0.281 423 F C 2.853 178.254 175.800 -0.665 0.000 1.016 423 F CA 0.661 58.363 58.000 -0.497 0.000 1.286 423 F CB -0.554 37.890 39.000 -0.926 0.000 1.134 423 F HN 0.004 nan 8.300 nan 0.000 0.597 424 S N 0.405 115.780 115.700 -0.543 0.000 2.382 424 S HA -0.220 4.290 4.470 0.066 0.000 0.228 424 S C 1.967 176.394 174.600 -0.289 0.000 1.027 424 S CA 1.307 59.297 58.200 -0.350 0.000 0.991 424 S CB -0.618 62.536 63.200 -0.078 0.000 0.823 424 S HN 0.340 nan 8.310 nan 0.000 0.469 425 K N 0.309 120.361 120.400 -0.580 0.000 2.148 425 K HA 0.057 4.417 4.320 0.066 0.000 0.204 425 K C 0.765 176.859 176.600 -0.843 0.000 1.050 425 K CA 1.241 56.982 56.287 -0.909 0.000 0.942 425 K CB -0.147 31.394 32.500 -1.600 0.000 0.724 425 K HN 0.576 nan 8.250 nan 0.000 0.446 426 F N -0.383 119.457 119.950 -0.183 0.000 2.682 426 F HA 0.299 4.866 4.527 0.068 0.000 0.308 426 F C 0.163 175.989 175.800 0.043 0.000 1.093 426 F CA -0.538 57.421 58.000 -0.068 0.000 1.244 426 F CB 0.902 39.828 39.000 -0.124 0.000 1.052 426 F HN -0.191 nan 8.300 nan 0.000 0.573 427 I N 2.584 123.195 120.570 0.068 0.000 2.668 427 I HA 0.270 4.479 4.170 0.066 0.000 0.276 427 I C -2.562 173.570 176.117 0.025 0.000 1.139 427 I CA -2.033 59.309 61.300 0.070 0.000 1.133 427 I CB 0.661 38.815 38.000 0.256 0.000 1.327 427 I HN -0.238 nan 8.210 nan 0.000 0.520 428 P HA 0.059 nan 4.420 nan 0.000 0.272 428 P C -0.106 177.155 177.300 -0.065 0.000 1.240 428 P CA -0.313 62.719 63.100 -0.113 0.000 0.791 428 P CB 0.645 32.230 31.700 -0.190 0.000 0.978 429 E N 0.280 120.450 120.200 -0.050 0.000 2.502 429 E HA 0.163 4.553 4.350 0.066 0.000 0.261 429 E C 1.022 177.591 176.600 -0.052 0.000 0.974 429 E CA 1.029 57.391 56.400 -0.064 0.000 0.936 429 E CB -0.640 29.007 29.700 -0.089 0.000 0.926 429 E HN 0.768 nan 8.360 nan 0.000 0.459 430 G N 2.976 111.756 108.800 -0.034 0.000 2.195 430 G HA2 -0.275 3.725 3.960 0.066 0.000 0.246 430 G HA3 -0.275 3.725 3.960 0.066 0.000 0.246 430 G C 0.239 175.138 174.900 -0.003 0.000 0.984 430 G CA 0.159 45.251 45.100 -0.012 0.000 0.633 430 G HN 0.599 nan 8.290 nan 0.000 0.525 431 S N 0.080 115.771 115.700 -0.016 0.000 2.573 431 S HA 0.434 4.944 4.470 0.066 0.000 0.277 431 S C 0.217 174.845 174.600 0.047 0.000 1.346 431 S CA 0.515 58.719 58.200 0.008 0.000 1.034 431 S CB 1.528 64.732 63.200 0.006 0.000 0.879 431 S HN 0.670 nan 8.310 nan 0.000 0.528 432 Q N 1.318 121.155 119.800 0.061 0.000 2.330 432 Q HA 0.332 4.712 4.340 0.066 0.000 0.269 432 Q C -0.539 175.522 176.000 0.103 0.000 1.022 432 Q CA -0.730 55.120 55.803 0.078 0.000 0.796 432 Q CB 1.091 29.864 28.738 0.058 0.000 1.271 432 Q HN 0.608 nan 8.270 nan 0.000 0.450 433 R N 2.770 123.354 120.500 0.139 0.000 2.489 433 R HA 0.244 4.624 4.340 0.066 0.000 0.287 433 R C -0.452 176.010 176.300 0.270 0.000 1.053 433 R CA 0.068 56.270 56.100 0.171 0.000 1.036 433 R CB 0.339 30.721 30.300 0.138 0.000 0.966 433 R HN 0.513 nan 8.270 nan 0.000 0.432 434 V N 1.263 121.314 119.914 0.228 0.000 3.113 434 V HA 0.731 4.890 4.120 0.066 0.000 0.316 434 V C 0.419 176.702 176.094 0.314 0.000 1.125 434 V CA -0.766 61.669 62.300 0.226 0.000 1.026 434 V CB 1.460 33.331 31.823 0.081 0.000 1.080 434 V HN 0.832 nan 8.190 nan 0.000 0.444 435 G N 0.494 109.486 108.800 0.320 0.000 2.491 435 G HA2 0.482 4.481 3.960 0.066 0.000 0.238 435 G HA3 0.482 4.481 3.960 0.066 0.000 0.238 435 G C -1.041 173.934 174.900 0.125 0.000 1.277 435 G CA -0.021 45.247 45.100 0.280 0.000 0.851 435 G HN 1.123 nan 8.290 nan 0.000 0.573 436 L N 2.683 123.951 121.223 0.075 0.000 2.528 436 L HA 0.518 4.898 4.340 0.066 0.000 0.267 436 L C -0.217 176.664 176.870 0.019 0.000 0.961 436 L CA -0.728 54.137 54.840 0.041 0.000 0.866 436 L CB 2.135 44.214 42.059 0.034 0.000 1.248 436 L HN 0.630 nan 8.230 nan 0.000 0.404 437 V N 1.924 121.849 119.914 0.019 0.000 2.715 437 V HA 1.035 5.194 4.120 0.066 0.000 0.310 437 V C 0.039 176.138 176.094 0.007 0.000 1.054 437 V CA -0.382 61.926 62.300 0.014 0.000 0.928 437 V CB 1.512 33.349 31.823 0.023 0.000 1.007 437 V HN 0.940 nan 8.190 nan 0.000 0.437 438 A N 2.674 125.498 122.820 0.008 0.000 2.305 438 A HA 0.676 5.036 4.320 0.066 0.000 0.322 438 A C 1.086 178.678 177.584 0.013 0.000 1.187 438 A CA 0.016 52.056 52.037 0.006 0.000 0.825 438 A CB 1.440 20.444 19.000 0.008 0.000 1.164 438 A HN 1.722 nan 8.150 nan 0.000 0.498 439 S N 1.121 116.829 115.700 0.014 0.000 2.453 439 S HA 0.015 4.525 4.470 0.066 0.000 0.231 439 S C 0.581 175.194 174.600 0.022 0.000 1.005 439 S CA 0.949 59.163 58.200 0.023 0.000 0.949 439 S CB -0.399 62.820 63.200 0.032 0.000 0.774 439 S HN 0.918 nan 8.310 nan 0.000 0.510 440 Q N -0.771 119.040 119.800 0.018 0.000 2.482 440 Q HA 0.466 4.846 4.340 0.066 0.000 0.286 440 Q C -1.518 174.492 176.000 0.017 0.000 1.007 440 Q CA -1.141 54.673 55.803 0.018 0.000 0.801 440 Q CB 1.055 29.803 28.738 0.017 0.000 1.455 440 Q HN -0.141 nan 8.270 nan 0.000 0.398 441 K N 1.577 121.988 120.400 0.018 0.000 2.543 441 K HA 0.048 4.408 4.320 0.066 0.000 0.279 441 K C -0.631 175.979 176.600 0.017 0.000 1.001 441 K CA 1.313 57.612 56.287 0.020 0.000 1.088 441 K CB -1.048 31.465 32.500 0.020 0.000 0.863 441 K HN 0.898 nan 8.250 nan 0.000 0.488 442 N N -0.493 118.219 118.700 0.020 0.000 2.927 442 N HA 0.328 5.108 4.740 0.066 0.000 0.248 442 N C -0.936 174.587 175.510 0.023 0.000 1.443 442 N CA -0.860 52.199 53.050 0.016 0.000 0.870 442 N CB 1.443 39.936 38.487 0.011 0.000 1.444 442 N HN 0.238 nan 8.380 nan 0.000 0.519 443 D N -0.105 120.306 120.400 0.017 0.000 2.363 443 D HA 0.229 4.909 4.640 0.066 0.000 0.214 443 D C -0.102 176.218 176.300 0.034 0.000 1.093 443 D CA 0.092 54.106 54.000 0.023 0.000 0.837 443 D CB 0.191 40.995 40.800 0.007 0.000 0.948 443 D HN 0.383 nan 8.370 nan 0.000 0.507 444 L N 0.923 122.167 121.223 0.034 0.000 2.399 444 L HA 0.272 4.652 4.340 0.066 0.000 0.266 444 L C 0.430 177.348 176.870 0.080 0.000 1.114 444 L CA -0.358 54.510 54.840 0.047 0.000 0.804 444 L CB 0.973 43.047 42.059 0.024 0.000 1.146 444 L HN -0.256 nan 8.230 nan 0.000 0.451 445 D N 1.850 122.317 120.400 0.111 0.000 2.217 445 D HA 0.619 5.299 4.640 0.066 0.000 0.243 445 D C -0.645 175.721 176.300 0.109 0.000 1.054 445 D CA -0.124 53.955 54.000 0.131 0.000 0.838 445 D CB 2.335 43.261 40.800 0.210 0.000 1.162 445 D HN 0.586 nan 8.370 nan 0.000 0.472 446 A N 1.523 124.394 122.820 0.085 0.000 2.549 446 A HA 0.656 5.015 4.320 0.066 0.000 0.297 446 A C -1.403 176.223 177.584 0.070 0.000 1.061 446 A CA -0.759 51.327 52.037 0.082 0.000 0.690 446 A CB 2.203 21.237 19.000 0.058 0.000 1.287 446 A HN 0.355 nan 8.150 nan 0.000 0.402 447 V N 0.581 120.550 119.914 0.093 0.000 2.971 447 V HA 0.869 5.029 4.120 0.066 0.000 0.309 447 V C -0.605 175.543 176.094 0.088 0.000 1.130 447 V CA 0.142 62.488 62.300 0.076 0.000 0.964 447 V CB 1.930 33.814 31.823 0.101 0.000 1.029 447 V HN 2.087 nan 8.190 nan 0.000 0.427 448 A N 6.141 129.003 122.820 0.070 0.000 2.342 448 A HA 0.975 5.335 4.320 0.066 0.000 0.323 448 A C -1.536 176.089 177.584 0.069 0.000 1.125 448 A CA -0.512 51.565 52.037 0.067 0.000 0.785 448 A CB 1.364 20.404 19.000 0.066 0.000 1.221 448 A HN 0.902 nan 8.150 nan 0.000 0.463 449 L N 0.944 122.196 121.223 0.049 0.000 2.359 449 L HA 0.694 5.074 4.340 0.066 0.000 0.256 449 L C -0.309 176.569 176.870 0.014 0.000 1.026 449 L CA -0.272 54.607 54.840 0.065 0.000 0.828 449 L CB 2.029 44.158 42.059 0.117 0.000 1.406 449 L HN 0.767 nan 8.230 nan 0.000 0.413 450 M N 0.674 120.295 119.600 0.036 0.000 2.181 450 M HA 0.413 4.933 4.480 0.066 0.000 0.323 450 M C -0.489 175.870 176.300 0.099 0.000 1.004 450 M CA -0.255 55.051 55.300 0.010 0.000 0.941 450 M CB 1.115 33.710 32.600 -0.009 0.000 1.579 450 M HN 0.486 nan 8.290 nan 0.000 0.427 451 H N 3.876 122.899 119.070 -0.079 0.000 2.836 451 H HA 0.030 4.626 4.556 0.067 0.000 0.368 451 H C -1.660 173.658 175.328 -0.018 0.000 1.164 451 H CA -0.980 55.045 56.048 -0.039 0.000 1.425 451 H CB 0.584 30.310 29.762 -0.061 0.000 1.414 451 H HN 0.484 nan 8.280 nan 0.000 0.614 452 P HA -0.182 nan 4.420 nan 0.000 0.217 452 P C 0.741 178.084 177.300 0.072 0.000 1.148 452 P CA 1.545 64.675 63.100 0.051 0.000 0.828 452 P CB 0.055 31.766 31.700 0.019 0.000 0.783 453 D N -2.069 118.398 120.400 0.111 0.000 2.363 453 D HA 0.068 4.748 4.640 0.066 0.000 0.226 453 D C 1.444 177.796 176.300 0.087 0.000 1.020 453 D CA 0.739 54.802 54.000 0.105 0.000 0.892 453 D CB -0.942 39.944 40.800 0.143 0.000 0.900 453 D HN 0.247 nan 8.370 nan 0.000 0.531 454 G N -0.165 108.672 108.800 0.060 0.000 2.194 454 G HA2 -0.288 3.712 3.960 0.066 0.000 0.236 454 G HA3 -0.288 3.712 3.960 0.066 0.000 0.236 454 G C 0.493 175.354 174.900 -0.065 0.000 0.987 454 G CA 0.326 45.435 45.100 0.015 0.000 0.635 454 G HN 0.818 nan 8.290 nan 0.000 0.520 455 S N 0.142 115.763 115.700 -0.131 0.000 2.608 455 S HA 0.773 5.282 4.470 0.066 0.000 0.261 455 S C 0.461 174.733 174.600 -0.547 0.000 1.314 455 S CA 0.546 58.490 58.200 -0.426 0.000 0.992 455 S CB 1.951 64.691 63.200 -0.768 0.000 0.935 455 S HN 1.925 nan 8.310 nan 0.000 0.564 456 A N 0.233 122.514 122.820 -0.897 0.000 2.320 456 A HA 0.799 5.158 4.320 0.066 0.000 0.334 456 A C -0.576 176.494 177.584 -0.858 0.000 1.147 456 A CA -0.858 50.584 52.037 -0.992 0.000 0.820 456 A CB 1.363 19.355 19.000 -1.680 0.000 1.218 456 A HN 1.493 nan 8.150 nan 0.000 0.482 457 V N 2.176 121.802 119.914 -0.480 0.000 2.686 457 V HA 0.673 4.833 4.120 0.066 0.000 0.306 457 V C -1.520 174.537 176.094 -0.061 0.000 1.065 457 V CA -0.341 61.837 62.300 -0.203 0.000 0.894 457 V CB 1.895 33.730 31.823 0.020 0.000 1.004 457 V HN 0.837 nan 8.190 nan 0.000 0.424 458 V N 6.801 126.764 119.914 0.081 0.000 2.525 458 V HA 0.543 4.703 4.120 0.066 0.000 0.299 458 V C -0.461 175.753 176.094 0.200 0.000 1.034 458 V CA -0.564 61.839 62.300 0.171 0.000 0.863 458 V CB 2.088 34.069 31.823 0.262 0.000 0.999 458 V HN 0.729 nan 8.190 nan 0.000 0.423 459 V N 5.315 125.299 119.914 0.115 0.000 2.472 459 V HA 0.602 4.762 4.120 0.066 0.000 0.290 459 V C -0.288 175.869 176.094 0.105 0.000 1.037 459 V CA -0.620 61.706 62.300 0.042 0.000 0.908 459 V CB 1.885 33.579 31.823 -0.215 0.000 0.985 459 V HN 0.584 nan 8.190 nan 0.000 0.454 460 V N 5.848 125.833 119.914 0.119 0.000 2.443 460 V HA 0.451 4.611 4.120 0.066 0.000 0.293 460 V C -0.599 175.523 176.094 0.046 0.000 1.021 460 V CA -0.458 61.905 62.300 0.105 0.000 0.848 460 V CB 1.607 33.523 31.823 0.155 0.000 0.998 460 V HN 0.695 nan 8.190 nan 0.000 0.424 461 L N 4.729 125.998 121.223 0.076 0.000 2.307 461 L HA 0.680 5.060 4.340 0.066 0.000 0.284 461 L C -0.296 176.631 176.870 0.095 0.000 1.023 461 L CA 0.155 55.057 54.840 0.103 0.000 0.810 461 L CB 1.616 43.786 42.059 0.185 0.000 1.231 461 L HN 0.608 nan 8.230 nan 0.000 0.423 462 N N 3.759 122.515 118.700 0.095 0.000 2.564 462 N HA 0.319 5.099 4.740 0.066 0.000 0.248 462 N C 0.197 175.777 175.510 0.117 0.000 0.986 462 N CA -0.283 52.800 53.050 0.056 0.000 0.921 462 N CB 0.978 39.453 38.487 -0.020 0.000 1.136 462 N HN 0.670 nan 8.380 nan 0.000 0.509 463 R N 0.379 120.946 120.500 0.112 0.000 2.313 463 R HA 0.076 4.456 4.340 0.066 0.000 0.199 463 R C 0.677 177.010 176.300 0.054 0.000 0.958 463 R CA 0.069 56.269 56.100 0.166 0.000 1.047 463 R CB 0.152 30.521 30.300 0.115 0.000 0.955 463 R HN 0.553 nan 8.270 nan 0.000 0.481 464 S N -0.863 114.758 115.700 -0.132 0.000 2.713 464 S HA 0.125 4.635 4.470 0.066 0.000 0.283 464 S C 1.115 175.301 174.600 -0.689 0.000 1.161 464 S CA -0.498 57.556 58.200 -0.244 0.000 0.999 464 S CB 1.835 64.959 63.200 -0.127 0.000 1.039 464 S HN 0.131 nan 8.310 nan 0.000 0.548 465 S N -0.175 115.201 115.700 -0.540 0.000 2.603 465 S HA 0.204 4.714 4.470 0.066 0.000 0.220 465 S C 0.083 174.511 174.600 -0.286 0.000 0.967 465 S CA -0.140 57.717 58.200 -0.573 0.000 0.920 465 S CB -0.554 62.610 63.200 -0.060 0.000 0.773 465 S HN 0.672 nan 8.310 nan 0.000 0.529 466 K N 2.239 122.509 120.400 -0.217 0.000 2.206 466 K HA 0.393 4.753 4.320 0.066 0.000 0.264 466 K C -1.187 175.354 176.600 -0.099 0.000 0.967 466 K CA -0.635 55.586 56.287 -0.110 0.000 0.844 466 K CB 0.848 33.307 32.500 -0.068 0.000 1.099 466 K HN 0.070 nan 8.250 nan 0.000 0.441 467 D N 1.556 121.919 120.400 -0.061 0.000 2.455 467 D HA 0.052 4.732 4.640 0.066 0.000 0.241 467 D C -0.539 175.741 176.300 -0.032 0.000 1.138 467 D CA 0.119 54.096 54.000 -0.040 0.000 0.877 467 D CB 0.909 41.701 40.800 -0.014 0.000 1.187 467 D HN 0.006 nan 8.370 nan 0.000 0.451 468 V N 4.961 124.856 119.914 -0.031 0.000 2.380 468 V HA 0.251 4.411 4.120 0.066 0.000 0.286 468 V C -2.171 173.915 176.094 -0.014 0.000 1.015 468 V CA -1.530 60.756 62.300 -0.024 0.000 0.834 468 V CB 1.844 33.649 31.823 -0.030 0.000 1.009 468 V HN 0.436 nan 8.190 nan 0.000 0.428 469 P HA 0.464 nan 4.420 nan 0.000 0.271 469 P C -0.875 176.419 177.300 -0.009 0.000 1.218 469 P CA -0.126 62.977 63.100 0.004 0.000 0.780 469 P CB 1.525 33.234 31.700 0.014 0.000 0.901 470 L N -1.125 120.083 121.223 -0.025 0.000 2.671 470 L HA 0.762 5.142 4.340 0.066 0.000 0.259 470 L C -1.354 175.450 176.870 -0.110 0.000 1.021 470 L CA -0.639 54.166 54.840 -0.059 0.000 0.871 470 L CB 1.847 43.861 42.059 -0.074 0.000 1.472 470 L HN 0.151 nan 8.230 nan 0.000 0.410 471 T N 1.645 116.104 114.554 -0.159 0.000 2.861 471 T HA 0.679 5.069 4.350 0.066 0.000 0.287 471 T C -0.459 174.092 174.700 -0.248 0.000 1.003 471 T CA -0.238 61.719 62.100 -0.239 0.000 0.977 471 T CB 1.603 70.221 68.868 -0.417 0.000 0.996 471 T HN 0.515 nan 8.240 nan 0.000 0.448 472 I N 2.624 123.004 120.570 -0.318 0.000 2.354 472 I HA 0.405 4.615 4.170 0.066 0.000 0.292 472 I C 0.229 176.154 176.117 -0.321 0.000 0.989 472 I CA -0.737 60.371 61.300 -0.319 0.000 1.188 472 I CB 1.412 39.141 38.000 -0.452 0.000 1.342 472 I HN 0.343 nan 8.210 nan 0.000 0.457 473 K N 5.360 125.600 120.400 -0.267 0.000 2.240 473 K HA 0.250 4.610 4.320 0.066 0.000 0.271 473 K C -1.165 175.246 176.600 -0.314 0.000 1.018 473 K CA -0.511 55.509 56.287 -0.446 0.000 0.874 473 K CB 1.074 33.326 32.500 -0.412 0.000 1.098 473 K HN 0.449 nan 8.250 nan 0.000 0.458 474 D N 6.413 126.600 120.400 -0.354 0.000 2.414 474 D HA 0.207 4.887 4.640 0.066 0.000 0.232 474 D C -1.552 174.635 176.300 -0.189 0.000 1.070 474 D CA -2.485 51.445 54.000 -0.117 0.000 0.839 474 D CB 1.806 42.679 40.800 0.122 0.000 1.079 474 D HN 0.328 nan 8.370 nan 0.000 0.521 475 P HA -0.194 nan 4.420 nan 0.000 0.217 475 P C 0.953 178.218 177.300 -0.058 0.000 1.148 475 P CA 0.961 63.996 63.100 -0.108 0.000 0.828 475 P CB 0.304 31.974 31.700 -0.051 0.000 0.783 476 A N -0.316 122.499 122.820 -0.008 0.000 1.968 476 A HA -0.033 4.327 4.320 0.066 0.000 0.217 476 A C 2.244 179.844 177.584 0.026 0.000 1.169 476 A CA 2.132 54.184 52.037 0.025 0.000 0.638 476 A CB -1.023 18.015 19.000 0.063 0.000 0.812 476 A HN 0.238 nan 8.150 nan 0.000 0.446 477 V N -5.407 114.512 119.914 0.009 0.000 3.219 477 V HA 0.644 4.804 4.120 0.066 0.000 0.240 477 V C 1.140 177.191 176.094 -0.071 0.000 1.222 477 V CA 0.868 63.172 62.300 0.006 0.000 1.181 477 V CB -0.461 31.402 31.823 0.067 0.000 0.941 477 V HN 1.422 nan 8.190 nan 0.000 0.471 478 G N 0.320 108.997 108.800 -0.205 0.000 2.247 478 G HA2 0.173 4.173 3.960 0.066 0.000 0.229 478 G HA3 0.173 4.173 3.960 0.066 0.000 0.229 478 G C -1.512 173.080 174.900 -0.512 0.000 1.345 478 G CA -0.348 44.589 45.100 -0.272 0.000 1.100 478 G HN 0.351 nan 8.290 nan 0.000 0.473 479 F N 0.129 119.979 119.950 -0.166 0.000 2.520 479 F HA 0.753 5.291 4.527 0.017 0.000 0.322 479 F C -0.148 175.486 175.800 -0.276 0.000 1.103 479 F CA -0.771 57.090 58.000 -0.231 0.000 0.926 479 F CB 2.093 41.007 39.000 -0.143 0.000 1.154 479 F HN 0.277 nan 8.300 nan 0.000 0.453 480 L N 3.631 124.688 121.223 -0.278 0.000 2.280 480 L HA 0.400 4.780 4.340 0.066 0.000 0.287 480 L C -0.208 176.486 176.870 -0.294 0.000 1.023 480 L CA -0.568 54.007 54.840 -0.441 0.000 0.819 480 L CB 0.771 42.184 42.059 -1.077 0.000 1.212 480 L HN 0.420 nan 8.230 nan 0.000 0.420 481 E N 2.181 122.330 120.200 -0.084 0.000 2.167 481 E HA 0.547 4.937 4.350 0.066 0.000 0.284 481 E C -0.144 176.460 176.600 0.006 0.000 1.016 481 E CA -0.060 56.326 56.400 -0.025 0.000 0.817 481 E CB 2.072 31.806 29.700 0.057 0.000 1.080 481 E HN 0.580 nan 8.360 nan 0.000 0.397 482 T N 2.147 116.682 114.554 -0.032 0.000 2.645 482 T HA 0.592 4.982 4.350 0.066 0.000 0.300 482 T C -1.617 173.122 174.700 0.066 0.000 1.210 482 T CA -0.589 61.542 62.100 0.051 0.000 1.034 482 T CB 1.284 70.134 68.868 -0.030 0.000 1.537 482 T HN 0.348 nan 8.240 nan 0.000 0.492 483 I N 1.864 122.521 120.570 0.144 0.000 2.692 483 I HA 0.543 4.753 4.170 0.066 0.000 0.293 483 I C -1.222 174.952 176.117 0.095 0.000 1.200 483 I CA -0.425 60.933 61.300 0.097 0.000 1.036 483 I CB 2.216 40.271 38.000 0.091 0.000 1.258 483 I HN 0.647 nan 8.210 nan 0.000 0.421 484 S N 8.961 124.645 115.700 -0.027 0.000 2.488 484 S HA 0.585 5.095 4.470 0.066 0.000 0.310 484 S C -2.577 171.963 174.600 -0.100 0.000 1.093 484 S CA -1.441 56.655 58.200 -0.173 0.000 1.129 484 S CB 0.563 63.670 63.200 -0.156 0.000 0.989 484 S HN 0.370 nan 8.310 nan 0.000 0.479 485 P HA 0.176 nan 4.420 nan 0.000 0.269 485 P C 0.387 177.659 177.300 -0.047 0.000 1.209 485 P CA -0.025 63.066 63.100 -0.014 0.000 0.776 485 P CB 0.320 32.051 31.700 0.052 0.000 0.876 486 G N 2.075 110.823 108.800 -0.087 0.000 2.321 486 G HA2 -0.021 3.978 3.960 0.066 0.000 0.237 486 G HA3 -0.021 3.978 3.960 0.066 0.000 0.237 486 G C -0.591 174.226 174.900 -0.137 0.000 1.282 486 G CA -0.097 44.863 45.100 -0.233 0.000 0.886 486 G HN 0.606 nan 8.290 nan 0.000 0.528 487 Y N -0.156 120.213 120.300 0.115 0.000 3.168 487 Y HA -0.256 4.335 4.550 0.068 0.000 0.207 487 Y C 1.267 177.301 175.900 0.223 0.000 1.280 487 Y CA 0.540 58.770 58.100 0.215 0.000 1.235 487 Y CB -2.077 36.360 38.460 -0.037 0.000 1.370 487 Y HN 0.942 nan 8.280 nan 0.000 0.537 488 S N -0.246 115.668 115.700 0.356 0.000 2.704 488 S HA 0.908 5.418 4.470 0.066 0.000 0.296 488 S C -0.741 174.034 174.600 0.292 0.000 1.138 488 S CA -0.823 57.588 58.200 0.352 0.000 0.875 488 S CB 3.350 66.649 63.200 0.166 0.000 1.151 488 S HN 0.472 nan 8.310 nan 0.000 0.500 489 I N 0.562 121.236 120.570 0.174 0.000 2.656 489 I HA 0.518 4.727 4.170 0.066 0.000 0.292 489 I C -1.574 174.487 176.117 -0.092 0.000 1.144 489 I CA -0.547 60.679 61.300 -0.124 0.000 1.038 489 I CB 1.794 39.516 38.000 -0.463 0.000 1.244 489 I HN 0.904 nan 8.210 nan 0.000 0.420 490 H N 4.332 123.268 119.070 -0.223 0.000 2.572 490 H HA 0.459 5.054 4.556 0.065 0.000 0.359 490 H C -1.049 174.203 175.328 -0.127 0.000 1.134 490 H CA -0.971 54.980 56.048 -0.162 0.000 1.187 490 H CB 2.363 32.021 29.762 -0.173 0.000 1.597 490 H HN 0.415 nan 8.280 nan 0.000 0.524 491 T N 3.046 117.632 114.554 0.053 0.000 2.792 491 T HA 0.246 4.635 4.350 0.066 0.000 0.280 491 T C -0.919 173.629 174.700 -0.254 0.000 0.990 491 T CA -0.631 61.442 62.100 -0.046 0.000 0.960 491 T CB 0.334 69.170 68.868 -0.053 0.000 0.939 491 T HN 0.299 nan 8.240 nan 0.000 0.439 492 Y N 2.690 123.035 120.300 0.074 0.000 2.330 492 Y HA 0.630 5.224 4.550 0.073 0.000 0.336 492 Y C 0.112 176.089 175.900 0.128 0.000 1.036 492 Y CA -1.112 57.079 58.100 0.152 0.000 1.125 492 Y CB 1.016 39.594 38.460 0.196 0.000 1.194 492 Y HN 0.364 nan 8.280 nan 0.000 0.469 493 L N 3.851 125.253 121.223 0.298 0.000 2.385 493 L HA 0.595 4.975 4.340 0.066 0.000 0.273 493 L C -1.249 175.818 176.870 0.329 0.000 0.990 493 L CA -0.804 54.086 54.840 0.083 0.000 0.821 493 L CB 1.662 43.674 42.059 -0.079 0.000 1.279 493 L HN 0.826 nan 8.230 nan 0.000 0.412 494 W N 1.113 122.348 121.300 -0.107 0.000 3.213 494 W HA 0.505 5.203 4.660 0.064 0.000 0.318 494 W C -1.344 175.044 176.519 -0.218 0.000 1.248 494 W CA -0.760 56.549 57.345 -0.060 0.000 1.187 494 W CB 0.585 30.083 29.460 0.064 0.000 1.403 494 W HN 0.276 nan 8.180 nan 0.000 0.556 495 H N 2.208 121.384 119.070 0.175 0.000 2.525 495 H HA 0.357 4.952 4.556 0.066 0.000 0.339 495 H C 0.360 175.801 175.328 0.188 0.000 1.109 495 H CA -0.186 55.904 56.048 0.070 0.000 1.352 495 H CB 1.872 31.669 29.762 0.057 0.000 1.461 495 H HN 0.531 nan 8.280 nan 0.000 0.533 496 R N 1.546 122.156 120.500 0.184 0.000 2.507 496 R HA 0.110 4.490 4.340 0.066 0.000 0.298 496 R C 1.012 177.397 176.300 0.142 0.000 0.999 496 R CA -0.205 56.007 56.100 0.186 0.000 1.082 496 R CB 0.356 30.713 30.300 0.094 0.000 1.246 496 R HN 0.651 nan 8.270 nan 0.000 0.553 497 Q N 0.000 119.892 119.800 0.153 0.000 2.315 497 Q HA 0.000 4.380 4.340 0.066 0.000 0.214 497 Q CA 0.000 55.864 55.803 0.102 0.000 1.022 497 Q CB 0.000 28.788 28.738 0.082 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481