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 3d9g_1_D DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMSAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE DGGNIGLRRR QMQRVMALED YEPWAATYGS 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.986 176.094 -0.180 0.000 1.182 2 V CA 0.000 62.205 62.300 -0.159 0.000 1.235 2 V CB 0.000 31.735 31.823 -0.147 0.000 1.184 3 D N 4.200 124.401 120.400 -0.330 0.000 2.859 3 D HA 0.628 5.268 4.640 -0.000 0.000 0.223 3 D C -0.490 175.570 176.300 -0.399 0.000 1.218 3 D CA -0.303 53.570 54.000 -0.212 0.000 0.850 3 D CB 1.905 42.646 40.800 -0.098 0.000 1.656 3 D HN 0.405 nan 8.370 nan 0.000 0.484 4 F N 0.806 120.798 119.950 0.071 0.000 2.706 4 F HA 0.341 4.868 4.527 -0.000 0.000 0.313 4 F C 0.937 176.812 175.800 0.126 0.000 1.096 4 F CA -0.461 57.616 58.000 0.129 0.000 1.219 4 F CB 0.460 39.541 39.000 0.135 0.000 1.051 4 F HN -0.044 nan 8.300 nan 0.000 0.568 5 K N 1.980 122.493 120.400 0.188 0.000 2.326 5 K HA 0.314 4.633 4.320 -0.000 0.000 0.275 5 K C -0.250 176.391 176.600 0.068 0.000 1.018 5 K CA -0.095 56.270 56.287 0.130 0.000 0.962 5 K CB 0.880 33.431 32.500 0.084 0.000 0.953 5 K HN 0.096 nan 8.250 nan 0.000 0.475 6 L N 2.613 123.873 121.223 0.061 0.000 2.305 6 L HA 0.133 4.473 4.340 -0.000 0.000 0.281 6 L C 0.830 177.688 176.870 -0.019 0.000 1.085 6 L CA -0.517 54.316 54.840 -0.012 0.000 0.813 6 L CB 1.310 43.370 42.059 0.002 0.000 1.157 6 L HN 0.768 nan 8.230 nan 0.000 0.436 7 S N 2.534 118.200 115.700 -0.056 0.000 2.589 7 S HA 0.203 4.673 4.470 -0.000 0.000 0.265 7 S C -1.848 172.749 174.600 -0.006 0.000 1.342 7 S CA -1.011 57.175 58.200 -0.022 0.000 1.005 7 S CB 0.764 63.955 63.200 -0.015 0.000 0.909 7 S HN 0.433 nan 8.310 nan 0.000 0.555 8 P HA -0.107 nan 4.420 nan 0.000 0.216 8 P C 1.763 179.087 177.300 0.039 0.000 1.150 8 P CA 1.660 64.776 63.100 0.027 0.000 0.837 8 P CB -0.213 31.505 31.700 0.029 0.000 0.786 9 S N -1.226 114.510 115.700 0.061 0.000 2.428 9 S HA -0.157 4.313 4.470 -0.000 0.000 0.230 9 S C 1.984 176.661 174.600 0.127 0.000 1.014 9 S CA 0.810 59.081 58.200 0.118 0.000 0.957 9 S CB -1.014 62.292 63.200 0.176 0.000 0.784 9 S HN 0.201 nan 8.310 nan 0.000 0.499 10 Q N 0.602 120.376 119.800 -0.043 0.000 2.137 10 Q HA 0.224 4.564 4.340 -0.000 0.000 0.198 10 Q C 2.152 178.109 176.000 -0.071 0.000 0.960 10 Q CA 1.067 56.720 55.803 -0.252 0.000 0.847 10 Q CB -0.313 28.151 28.738 -0.456 0.000 0.915 10 Q HN 0.527 nan 8.270 nan 0.000 0.448 11 L N 0.360 121.575 121.223 -0.013 0.000 2.109 11 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 11 L C 2.396 179.305 176.870 0.064 0.000 1.086 11 L CA 0.884 55.745 54.840 0.035 0.000 0.760 11 L CB -0.201 41.883 42.059 0.040 0.000 0.910 11 L HN 0.194 nan 8.230 nan 0.000 0.437 12 E N 0.928 121.168 120.200 0.067 0.000 2.051 12 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 12 E C 2.145 178.820 176.600 0.123 0.000 0.991 12 E CA 1.662 58.116 56.400 0.091 0.000 0.799 12 E CB -0.183 29.561 29.700 0.074 0.000 0.748 12 E HN 0.327 nan 8.360 nan 0.000 0.449 13 A N 1.047 123.935 122.820 0.114 0.000 1.917 13 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 13 A C 2.355 180.038 177.584 0.165 0.000 1.182 13 A CA 1.998 54.117 52.037 0.137 0.000 0.633 13 A CB -0.713 18.381 19.000 0.155 0.000 0.819 13 A HN 0.306 nan 8.150 nan 0.000 0.448 14 R N -0.769 119.807 120.500 0.126 0.000 2.073 14 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 14 R C 2.525 178.913 176.300 0.148 0.000 1.134 14 R CA 1.502 57.682 56.100 0.134 0.000 0.952 14 R CB -0.322 30.046 30.300 0.112 0.000 0.850 14 R HN 0.538 nan 8.270 nan 0.000 0.433 15 R N -0.486 120.098 120.500 0.140 0.000 2.073 15 R HA -0.219 4.121 4.340 -0.000 0.000 0.234 15 R C 2.213 178.613 176.300 0.167 0.000 1.134 15 R CA 2.245 58.426 56.100 0.134 0.000 0.952 15 R CB -0.518 29.853 30.300 0.117 0.000 0.850 15 R HN 0.436 nan 8.270 nan 0.000 0.433 16 H N -0.097 119.037 119.070 0.107 0.000 2.321 16 H HA -0.050 4.505 4.556 -0.000 0.000 0.300 16 H C 1.802 177.225 175.328 0.158 0.000 1.087 16 H CA 2.307 58.434 56.048 0.132 0.000 1.319 16 H CB -0.127 29.703 29.762 0.112 0.000 1.379 16 H HN 0.358 nan 8.280 nan 0.000 0.501 17 A N 0.445 123.411 122.820 0.244 0.000 1.902 17 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 17 A C 2.307 179.987 177.584 0.160 0.000 1.181 17 A CA 1.667 53.828 52.037 0.206 0.000 0.623 17 A CB -0.565 18.567 19.000 0.220 0.000 0.818 17 A HN 0.661 nan 8.150 nan 0.000 0.443 18 Q N -0.631 119.246 119.800 0.128 0.000 2.050 18 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 18 Q C 2.471 178.502 176.000 0.053 0.000 0.980 18 Q CA 1.470 57.328 55.803 0.090 0.000 0.840 18 Q CB -0.405 28.384 28.738 0.085 0.000 0.898 18 Q HN 0.683 nan 8.270 nan 0.000 0.424 19 A N 0.614 123.463 122.820 0.048 0.000 1.902 19 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 19 A C 1.876 179.450 177.584 -0.017 0.000 1.181 19 A CA 1.284 53.334 52.037 0.021 0.000 0.623 19 A CB -0.792 18.231 19.000 0.038 0.000 0.818 19 A HN 0.457 nan 8.150 nan 0.000 0.443 20 F N 0.984 120.813 119.950 -0.202 0.000 2.102 20 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 20 F C 2.510 178.210 175.800 -0.167 0.000 1.105 20 F CA 1.224 59.035 58.000 -0.315 0.000 1.239 20 F CB -0.540 38.181 39.000 -0.464 0.000 0.991 20 F HN 0.244 nan 8.300 nan 0.000 0.474 21 A N 0.496 123.245 122.820 -0.119 0.000 1.883 21 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 21 A C 2.023 179.495 177.584 -0.187 0.000 1.186 21 A CA 2.227 54.168 52.037 -0.161 0.000 0.624 21 A CB -1.289 17.720 19.000 0.014 0.000 0.822 21 A HN 0.650 nan 8.150 nan 0.000 0.444 22 N N -0.817 117.814 118.700 -0.115 0.000 2.080 22 N HA -0.129 4.611 4.740 -0.000 0.000 0.189 22 N C 1.968 177.412 175.510 -0.111 0.000 1.036 22 N CA 1.891 54.888 53.050 -0.088 0.000 0.846 22 N CB -0.276 38.187 38.487 -0.040 0.000 1.015 22 N HN 0.687 nan 8.380 nan 0.000 0.423 23 T N -1.805 112.674 114.554 -0.125 0.000 2.942 23 T HA 0.053 4.403 4.350 -0.000 0.000 0.265 23 T C 1.852 176.462 174.700 -0.149 0.000 1.062 23 T CA 0.680 62.720 62.100 -0.101 0.000 1.139 23 T CB -0.245 68.595 68.868 -0.047 0.000 0.883 23 T HN -0.078 nan 8.240 nan 0.000 0.468 24 V N 0.329 120.046 119.914 -0.328 0.000 2.721 24 V HA 0.244 4.364 4.120 -0.000 0.000 0.236 24 V C 2.394 178.343 176.094 -0.241 0.000 1.116 24 V CA 0.231 62.331 62.300 -0.333 0.000 1.148 24 V CB -0.356 31.046 31.823 -0.701 0.000 0.886 24 V HN 0.246 nan 8.190 nan 0.000 0.490 25 L N 1.414 122.372 121.223 -0.442 0.000 2.275 25 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 25 L C 2.710 179.437 176.870 -0.239 0.000 1.119 25 L CA 2.520 57.175 54.840 -0.309 0.000 0.790 25 L CB -1.419 40.483 42.059 -0.263 0.000 0.919 25 L HN 0.654 nan 8.230 nan 0.000 0.443 26 T N -4.037 110.407 114.554 -0.183 0.000 2.962 26 T HA -0.163 4.187 4.350 -0.000 0.000 0.270 26 T C 1.657 176.271 174.700 -0.143 0.000 1.088 26 T CA 0.788 62.803 62.100 -0.142 0.000 1.127 26 T CB -0.237 68.569 68.868 -0.104 0.000 0.883 26 T HN 0.307 nan 8.240 nan 0.000 0.493 27 K N 1.058 121.394 120.400 -0.106 0.000 2.459 27 K HA 0.383 4.703 4.320 -0.000 0.000 0.193 27 K C 2.565 179.054 176.600 -0.185 0.000 1.030 27 K CA 0.529 56.796 56.287 -0.034 0.000 1.026 27 K CB -0.141 32.454 32.500 0.159 0.000 0.809 27 K HN 0.440 nan 8.250 nan 0.000 0.504 28 A N 1.360 123.824 122.820 -0.592 0.000 1.902 28 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 28 A C 2.309 179.503 177.584 -0.649 0.000 1.181 28 A CA 1.883 53.296 52.037 -1.041 0.000 0.623 28 A CB -0.636 17.822 19.000 -0.903 0.000 0.818 28 A HN 0.240 nan 8.150 nan 0.000 0.443 29 S N -0.375 114.914 115.700 -0.686 0.000 2.374 29 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 29 S C 2.137 176.291 174.600 -0.744 0.000 1.037 29 S CA 1.641 59.166 58.200 -1.125 0.000 1.024 29 S CB -0.471 62.392 63.200 -0.562 0.000 0.861 29 S HN 0.845 nan 8.310 nan 0.000 0.456 30 A N 1.032 123.621 122.820 -0.385 0.000 2.019 30 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 30 A C 2.077 179.566 177.584 -0.157 0.000 1.164 30 A CA 1.490 53.398 52.037 -0.214 0.000 0.644 30 A CB -0.372 18.560 19.000 -0.115 0.000 0.805 30 A HN 0.554 nan 8.150 nan 0.000 0.449 31 E N -0.711 119.407 120.200 -0.137 0.000 2.057 31 E HA -0.096 4.253 4.350 -0.000 0.000 0.190 31 E C 1.942 178.550 176.600 0.013 0.000 0.969 31 E CA 1.579 57.983 56.400 0.005 0.000 0.812 31 E CB -0.775 29.048 29.700 0.204 0.000 0.777 31 E HN 0.953 nan 8.360 nan 0.000 0.455 32 Y N 0.213 120.513 120.300 0.000 0.000 2.395 32 Y HA 0.173 4.723 4.550 -0.000 0.000 0.293 32 Y C 2.207 178.109 175.900 0.002 0.000 1.123 32 Y CA 0.829 58.934 58.100 0.009 0.000 1.227 32 Y CB -0.360 38.101 38.460 0.002 0.000 1.012 32 Y HN -0.204 nan 8.280 nan 0.000 0.552 33 S N 0.476 116.081 115.700 -0.158 0.000 2.423 33 S HA -0.156 4.314 4.470 -0.000 0.000 0.231 33 S C 1.946 176.547 174.600 0.001 0.000 1.014 33 S CA 1.640 59.804 58.200 -0.060 0.000 0.965 33 S CB -0.642 62.441 63.200 -0.195 0.000 0.785 33 S HN 0.804 nan 8.310 nan 0.000 0.495 34 T N -0.642 113.908 114.554 -0.007 0.000 3.113 34 T HA 0.115 4.464 4.350 -0.000 0.000 0.256 34 T C 0.638 175.358 174.700 0.034 0.000 1.131 34 T CA 0.138 62.242 62.100 0.007 0.000 1.074 34 T CB -0.009 68.856 68.868 -0.004 0.000 0.944 34 T HN 0.069 nan 8.240 nan 0.000 0.516 35 Q N 1.046 120.885 119.800 0.066 0.000 2.260 35 Q HA 0.386 4.726 4.340 -0.000 0.000 0.242 35 Q C 0.704 176.745 176.000 0.068 0.000 0.932 35 Q CA -0.142 55.705 55.803 0.074 0.000 0.891 35 Q CB 1.579 30.380 28.738 0.104 0.000 1.222 35 Q HN 0.374 nan 8.270 nan 0.000 0.453 36 K N 0.559 120.992 120.400 0.056 0.000 2.379 36 K HA 0.013 4.333 4.320 -0.000 0.000 0.194 36 K C -0.050 176.580 176.600 0.049 0.000 1.031 36 K CA 0.463 56.778 56.287 0.046 0.000 1.037 36 K CB 0.556 33.077 32.500 0.035 0.000 0.824 36 K HN 0.636 nan 8.250 nan 0.000 0.516 37 D N -1.754 118.683 120.400 0.061 0.000 2.615 37 D HA -0.028 4.612 4.640 -0.000 0.000 0.267 37 D C 0.546 176.893 176.300 0.078 0.000 1.236 37 D CA -0.591 53.446 54.000 0.061 0.000 0.839 37 D CB 1.020 41.852 40.800 0.054 0.000 1.380 37 D HN -0.261 nan 8.370 nan 0.000 0.433 38 Q N -0.362 119.482 119.800 0.074 0.000 2.045 38 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 38 Q C 1.968 178.044 176.000 0.126 0.000 0.991 38 Q CA 2.167 58.021 55.803 0.084 0.000 0.851 38 Q CB -0.509 28.266 28.738 0.061 0.000 0.911 38 Q HN 0.505 nan 8.270 nan 0.000 0.418 39 L N -0.201 121.095 121.223 0.122 0.000 2.012 39 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 39 L C 2.149 179.122 176.870 0.172 0.000 1.073 39 L CA 2.263 57.190 54.840 0.146 0.000 0.748 39 L CB -0.818 41.257 42.059 0.027 0.000 0.891 39 L HN 0.188 nan 8.230 nan 0.000 0.431 40 S N -0.507 115.262 115.700 0.114 0.000 2.370 40 S HA -0.187 4.282 4.470 -0.000 0.000 0.226 40 S C 1.970 176.654 174.600 0.140 0.000 1.033 40 S CA 1.411 59.673 58.200 0.103 0.000 1.011 40 S CB -0.378 62.868 63.200 0.077 0.000 0.852 40 S HN 0.463 nan 8.310 nan 0.000 0.457 41 R N -0.037 120.558 120.500 0.159 0.000 2.081 41 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 41 R C 2.112 178.538 176.300 0.211 0.000 1.131 41 R CA 1.501 57.709 56.100 0.180 0.000 0.960 41 R CB -0.536 29.841 30.300 0.129 0.000 0.856 41 R HN 0.416 nan 8.270 nan 0.000 0.436 42 F N 2.357 122.359 119.950 0.087 0.000 2.069 42 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 42 F C 2.147 178.110 175.800 0.272 0.000 1.113 42 F CA 1.697 59.783 58.000 0.143 0.000 1.214 42 F CB -0.324 38.737 39.000 0.101 0.000 0.978 42 F HN -0.036 nan 8.300 nan 0.000 0.474 43 Q N -0.049 119.820 119.800 0.115 0.000 2.226 43 Q HA -0.144 4.195 4.340 -0.000 0.000 0.204 43 Q C 2.343 178.323 176.000 -0.033 0.000 0.975 43 Q CA 1.276 57.081 55.803 0.003 0.000 0.866 43 Q CB -0.496 28.274 28.738 0.055 0.000 0.915 43 Q HN 0.545 nan 8.270 nan 0.000 0.440 44 A N 0.965 123.828 122.820 0.073 0.000 2.067 44 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 44 A C 2.232 179.956 177.584 0.233 0.000 1.158 44 A CA 1.601 53.719 52.037 0.135 0.000 0.661 44 A CB -0.671 18.447 19.000 0.196 0.000 0.801 44 A HN 0.496 nan 8.150 nan 0.000 0.452 45 T N -2.919 111.754 114.554 0.198 0.000 3.085 45 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 45 T C 1.763 176.603 174.700 0.233 0.000 1.127 45 T CA 0.816 63.117 62.100 0.335 0.000 1.103 45 T CB -0.292 68.718 68.868 0.238 0.000 0.921 45 T HN 0.502 nan 8.240 nan 0.000 0.510 46 R N 1.999 122.384 120.500 -0.193 0.000 2.112 46 R HA -0.087 4.253 4.340 -0.000 0.000 0.242 46 R C -0.789 175.328 176.300 -0.306 0.000 1.137 46 R CA 2.017 57.705 56.100 -0.687 0.000 0.944 46 R CB -1.214 28.439 30.300 -1.078 0.000 0.857 46 R HN 0.358 nan 8.270 nan 0.000 0.435 47 P HA -0.130 nan 4.420 nan 0.000 0.219 47 P C 0.475 177.582 177.300 -0.322 0.000 1.146 47 P CA 1.354 64.242 63.100 -0.353 0.000 0.808 47 P CB -0.042 31.334 31.700 -0.541 0.000 0.779 48 F N -3.315 116.674 119.950 0.067 0.000 2.270 48 F HA -0.026 4.501 4.527 -0.000 0.000 0.295 48 F C 2.403 178.376 175.800 0.289 0.000 1.087 48 F CA 0.636 58.724 58.000 0.148 0.000 1.365 48 F CB -1.239 37.833 39.000 0.119 0.000 1.056 48 F HN -0.143 nan 8.300 nan 0.000 0.506 49 Y N 1.350 121.840 120.300 0.317 0.000 2.181 49 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 49 Y C 2.739 178.770 175.900 0.218 0.000 1.146 49 Y CA 1.610 59.900 58.100 0.316 0.000 1.164 49 Y CB -0.308 38.414 38.460 0.437 0.000 0.982 49 Y HN -0.110 nan 8.280 nan 0.000 0.515 50 R N 0.883 121.505 120.500 0.204 0.000 2.103 50 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 50 R C 1.985 178.335 176.300 0.083 0.000 1.142 50 R CA 2.109 58.255 56.100 0.076 0.000 0.960 50 R CB -0.557 29.734 30.300 -0.015 0.000 0.858 50 R HN 0.269 nan 8.270 nan 0.000 0.439 51 E N -0.013 120.283 120.200 0.159 0.000 2.106 51 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 51 E C 1.856 178.693 176.600 0.396 0.000 0.984 51 E CA 1.269 57.860 56.400 0.319 0.000 0.806 51 E CB -0.324 29.594 29.700 0.363 0.000 0.750 51 E HN 0.475 nan 8.360 nan 0.000 0.458 52 A N 0.862 123.807 122.820 0.208 0.000 1.877 52 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 52 A C 2.610 180.092 177.584 -0.170 0.000 1.186 52 A CA 1.556 53.453 52.037 -0.232 0.000 0.620 52 A CB -0.732 18.152 19.000 -0.193 0.000 0.822 52 A HN 0.142 nan 8.150 nan 0.000 0.443 53 V N -0.091 119.737 119.914 -0.145 0.000 2.287 53 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 53 V C 2.650 178.732 176.094 -0.020 0.000 1.053 53 V CA 2.354 64.595 62.300 -0.098 0.000 1.027 53 V CB -0.782 30.994 31.823 -0.077 0.000 0.646 53 V HN 0.630 nan 8.190 nan 0.000 0.447 54 R N -0.812 119.704 120.500 0.026 0.000 2.120 54 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 54 R C 2.025 178.311 176.300 -0.022 0.000 1.123 54 R CA 1.607 57.715 56.100 0.013 0.000 0.975 54 R CB -0.199 30.122 30.300 0.035 0.000 0.866 54 R HN 0.622 nan 8.270 nan 0.000 0.446 55 H N -1.511 117.549 119.070 -0.016 0.000 2.543 55 H HA 0.176 4.732 4.556 -0.000 0.000 0.269 55 H C 0.958 176.307 175.328 0.035 0.000 1.005 55 H CA 0.816 56.880 56.048 0.026 0.000 1.146 55 H CB 0.629 30.320 29.762 -0.119 0.000 1.353 55 H HN 0.522 nan 8.280 nan 0.000 0.595 56 G N 0.243 109.068 108.800 0.042 0.000 2.143 56 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.248 56 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.248 56 G C 0.998 175.881 174.900 -0.028 0.000 0.991 56 G CA 0.531 45.627 45.100 -0.007 0.000 0.689 56 G HN 0.451 nan 8.290 nan 0.000 0.522 57 L N -0.187 121.004 121.223 -0.052 0.000 2.341 57 L HA 0.138 4.478 4.340 -0.000 0.000 0.214 57 L C 2.641 179.486 176.870 -0.041 0.000 1.115 57 L CA 0.330 55.128 54.840 -0.069 0.000 0.820 57 L CB -0.290 41.664 42.059 -0.174 0.000 0.944 57 L HN 0.252 nan 8.230 nan 0.000 0.452 58 I N -0.012 120.531 120.570 -0.045 0.000 2.406 58 I HA -0.207 3.963 4.170 -0.000 0.000 0.249 58 I C 2.424 178.579 176.117 0.063 0.000 1.122 58 I CA 1.257 62.573 61.300 0.026 0.000 1.431 58 I CB -0.894 37.133 38.000 0.044 0.000 1.087 58 I HN 0.257 nan 8.210 nan 0.000 0.424 59 K N 1.388 121.812 120.400 0.039 0.000 2.209 59 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 59 K C 1.889 178.494 176.600 0.008 0.000 1.048 59 K CA 1.209 57.519 56.287 0.038 0.000 0.940 59 K CB 0.089 32.598 32.500 0.015 0.000 0.729 59 K HN 0.243 nan 8.250 nan 0.000 0.451 60 A N 0.479 123.293 122.820 -0.010 0.000 2.239 60 A HA -0.049 4.270 4.320 -0.000 0.000 0.209 60 A C 1.323 178.899 177.584 -0.013 0.000 1.171 60 A CA 0.625 52.646 52.037 -0.027 0.000 0.768 60 A CB -0.002 18.975 19.000 -0.038 0.000 0.790 60 A HN 0.274 nan 8.150 nan 0.000 0.478 61 Q N -0.549 119.253 119.800 0.003 0.000 2.360 61 Q HA 0.202 4.542 4.340 -0.000 0.000 0.202 61 Q C -0.339 175.647 176.000 -0.023 0.000 0.915 61 Q CA 0.389 56.190 55.803 -0.003 0.000 0.943 61 Q CB 0.224 28.966 28.738 0.007 0.000 1.064 61 Q HN 0.369 nan 8.270 nan 0.000 0.511 62 V N 1.836 121.742 119.914 -0.015 0.000 2.656 62 V HA 0.368 4.488 4.120 -0.000 0.000 0.307 62 V C -2.420 173.661 176.094 -0.022 0.000 1.051 62 V CA -2.359 59.931 62.300 -0.017 0.000 0.893 62 V CB 2.082 33.912 31.823 0.011 0.000 0.999 62 V HN -0.068 nan 8.190 nan 0.000 0.426 63 P HA 0.250 nan 4.420 nan 0.000 0.268 63 P C 1.058 178.341 177.300 -0.029 0.000 1.208 63 P CA 0.082 63.163 63.100 -0.032 0.000 0.777 63 P CB 0.748 32.432 31.700 -0.028 0.000 0.875 64 I N 3.574 124.121 120.570 -0.039 0.000 2.163 64 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 64 I C -0.621 175.482 176.117 -0.023 0.000 1.085 64 I CA 1.865 63.143 61.300 -0.035 0.000 1.347 64 I CB -1.693 36.279 38.000 -0.047 0.000 1.044 64 I HN 0.453 nan 8.210 nan 0.000 0.408 65 P HA -0.153 nan 4.420 nan 0.000 0.220 65 P C 1.151 178.447 177.300 -0.007 0.000 1.144 65 P CA 1.128 64.219 63.100 -0.014 0.000 0.800 65 P CB 0.083 31.774 31.700 -0.014 0.000 0.772 66 L N -2.312 118.908 121.223 -0.005 0.000 2.700 66 L HA 0.386 4.726 4.340 -0.000 0.000 0.234 66 L C 1.562 178.440 176.870 0.013 0.000 1.156 66 L CA 0.691 55.535 54.840 0.005 0.000 0.946 66 L CB -1.115 40.948 42.059 0.006 0.000 1.216 66 L HN 0.125 nan 8.230 nan 0.000 0.493 67 G N -1.593 107.210 108.800 0.005 0.000 2.175 67 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 67 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 67 G C 0.765 175.669 174.900 0.007 0.000 0.982 67 G CA 0.042 45.146 45.100 0.007 0.000 0.641 67 G HN 0.635 nan 8.290 nan 0.000 0.527 68 G N -0.939 107.863 108.800 0.003 0.000 2.510 68 G HA2 0.602 4.562 3.960 -0.000 0.000 0.280 68 G HA3 0.602 4.562 3.960 -0.000 0.000 0.280 68 G C 0.990 175.875 174.900 -0.025 0.000 1.386 68 G CA 1.155 46.254 45.100 -0.002 0.000 1.047 68 G HN 1.193 nan 8.290 nan 0.000 0.527 69 T N -2.821 111.711 114.554 -0.037 0.000 3.111 69 T HA 0.293 4.643 4.350 -0.000 0.000 0.284 69 T C 0.935 175.579 174.700 -0.092 0.000 0.983 69 T CA -0.239 61.822 62.100 -0.065 0.000 0.900 69 T CB -0.162 68.664 68.868 -0.069 0.000 1.132 69 T HN 0.375 nan 8.240 nan 0.000 0.531 70 M N 2.636 122.190 119.600 -0.077 0.000 2.390 70 M HA 0.113 4.593 4.480 -0.000 0.000 0.353 70 M C 0.882 177.090 176.300 -0.154 0.000 1.623 70 M CA 0.606 55.848 55.300 -0.096 0.000 1.065 70 M CB 0.454 33.018 32.600 -0.059 0.000 2.025 70 M HN 0.205 nan 8.290 nan 0.000 0.461 71 E N 2.283 122.316 120.200 -0.278 0.000 2.122 71 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 71 E C 0.185 176.583 176.600 -0.336 0.000 0.977 71 E CA 0.720 56.847 56.400 -0.454 0.000 0.820 71 E CB 0.273 29.382 29.700 -0.985 0.000 0.770 71 E HN 0.853 nan 8.360 nan 0.000 0.462 72 S N -1.545 114.039 115.700 -0.193 0.000 2.656 72 S HA 0.169 4.639 4.470 -0.000 0.000 0.265 72 S C 0.088 174.714 174.600 0.044 0.000 1.110 72 S CA -0.828 57.374 58.200 0.004 0.000 0.821 72 S CB 0.148 63.418 63.200 0.117 0.000 1.099 72 S HN 0.051 nan 8.310 nan 0.000 0.471 73 L N 1.213 122.447 121.223 0.017 0.000 2.313 73 L HA 0.071 4.410 4.340 -0.000 0.000 0.214 73 L C 2.268 179.119 176.870 -0.031 0.000 1.119 73 L CA 0.604 55.447 54.840 0.005 0.000 0.809 73 L CB -0.490 41.572 42.059 0.006 0.000 0.933 73 L HN 0.647 nan 8.230 nan 0.000 0.449 74 V N -0.596 119.258 119.914 -0.099 0.000 2.323 74 V HA -0.281 3.839 4.120 -0.000 0.000 0.244 74 V C 2.328 178.255 176.094 -0.278 0.000 1.041 74 V CA 1.716 63.813 62.300 -0.339 0.000 1.025 74 V CB -0.608 30.892 31.823 -0.537 0.000 0.656 74 V HN 0.421 nan 8.190 nan 0.000 0.451 75 H N 0.083 119.038 119.070 -0.191 0.000 2.319 75 H HA -0.217 4.339 4.556 -0.000 0.000 0.297 75 H C 2.294 177.591 175.328 -0.052 0.000 1.097 75 H CA 2.108 58.088 56.048 -0.112 0.000 1.285 75 H CB -0.166 29.548 29.762 -0.080 0.000 1.368 75 H HN 0.453 nan 8.280 nan 0.000 0.495 76 E N 0.395 120.655 120.200 0.100 0.000 2.070 76 E HA -0.166 4.183 4.350 -0.000 0.000 0.197 76 E C 2.276 178.923 176.600 0.079 0.000 1.004 76 E CA 1.777 58.221 56.400 0.073 0.000 0.805 76 E CB -0.248 29.480 29.700 0.046 0.000 0.744 76 E HN 0.291 nan 8.360 nan 0.000 0.451 77 S N -0.439 115.295 115.700 0.056 0.000 2.382 77 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 77 S C 1.935 176.647 174.600 0.186 0.000 1.027 77 S CA 1.128 59.402 58.200 0.124 0.000 0.991 77 S CB -0.270 63.035 63.200 0.174 0.000 0.823 77 S HN 0.289 nan 8.310 nan 0.000 0.469 78 I N 1.100 121.748 120.570 0.130 0.000 2.252 78 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 78 I C 1.967 178.188 176.117 0.173 0.000 1.102 78 I CA 1.060 62.465 61.300 0.175 0.000 1.385 78 I CB -0.294 37.744 38.000 0.063 0.000 1.064 78 I HN 0.248 nan 8.210 nan 0.000 0.414 79 I N 0.457 121.119 120.570 0.152 0.000 2.163 79 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 79 I C 2.416 178.662 176.117 0.215 0.000 1.085 79 I CA 1.590 62.995 61.300 0.176 0.000 1.347 79 I CB -0.350 37.744 38.000 0.156 0.000 1.044 79 I HN 0.202 nan 8.210 nan 0.000 0.408 80 L N 0.232 121.581 121.223 0.211 0.000 2.093 80 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 80 L C 2.624 179.674 176.870 0.301 0.000 1.085 80 L CA 1.331 56.336 54.840 0.275 0.000 0.755 80 L CB -0.612 41.534 42.059 0.144 0.000 0.904 80 L HN 0.322 nan 8.230 nan 0.000 0.435 81 E N 0.221 120.548 120.200 0.212 0.000 2.051 81 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 81 E C 2.039 178.776 176.600 0.229 0.000 0.991 81 E CA 1.238 57.757 56.400 0.198 0.000 0.799 81 E CB 0.173 29.979 29.700 0.177 0.000 0.748 81 E HN 0.352 nan 8.360 nan 0.000 0.449 82 E N 0.389 120.717 120.200 0.214 0.000 2.110 82 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 82 E C 2.125 178.841 176.600 0.193 0.000 0.988 82 E CA 0.538 57.050 56.400 0.186 0.000 0.804 82 E CB -0.230 29.572 29.700 0.171 0.000 0.745 82 E HN 0.242 nan 8.360 nan 0.000 0.458 83 L N -0.367 121.003 121.223 0.245 0.000 2.005 83 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 83 L C 2.181 179.135 176.870 0.140 0.000 1.072 83 L CA 1.461 56.428 54.840 0.212 0.000 0.744 83 L CB -0.827 41.397 42.059 0.275 0.000 0.895 83 L HN 0.061 nan 8.230 nan 0.000 0.433 84 F N -0.788 119.242 119.950 0.134 0.000 2.407 84 F HA -0.011 4.515 4.527 -0.000 0.000 0.299 84 F C 2.302 178.169 175.800 0.112 0.000 1.097 84 F CA 0.742 58.825 58.000 0.138 0.000 1.422 84 F CB -0.718 38.368 39.000 0.143 0.000 1.067 84 F HN 0.058 nan 8.300 nan 0.000 0.539 85 A N -0.766 122.196 122.820 0.238 0.000 2.172 85 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 85 A C 2.053 179.684 177.584 0.078 0.000 1.154 85 A CA 1.560 53.686 52.037 0.149 0.000 0.701 85 A CB -0.610 18.471 19.000 0.135 0.000 0.789 85 A HN 0.204 nan 8.150 nan 0.000 0.465 86 V N -1.432 118.515 119.914 0.055 0.000 2.854 86 V HA 0.204 4.324 4.120 -0.000 0.000 0.236 86 V C 0.313 176.387 176.094 -0.034 0.000 1.157 86 V CA 1.100 63.399 62.300 -0.001 0.000 1.187 86 V CB 0.357 32.173 31.823 -0.012 0.000 0.949 86 V HN 0.527 nan 8.190 nan 0.000 0.488 87 E N -0.349 119.813 120.200 -0.063 0.000 2.454 87 E HA 0.287 4.637 4.350 -0.000 0.000 0.315 87 E C -2.589 173.878 176.600 -0.221 0.000 0.907 87 E CA -1.267 55.074 56.400 -0.098 0.000 0.797 87 E CB 1.854 31.502 29.700 -0.088 0.000 1.396 87 E HN 0.057 nan 8.360 nan 0.000 0.389 88 P HA 0.038 nan 4.420 nan 0.000 0.226 88 P C 0.015 177.179 177.300 -0.226 0.000 1.153 88 P CA 0.689 63.487 63.100 -0.505 0.000 0.777 88 P CB 0.149 31.834 31.700 -0.025 0.000 0.794 89 A N -0.480 122.261 122.820 -0.132 0.000 2.540 89 A HA 0.241 4.561 4.320 -0.000 0.000 0.239 89 A C 1.370 178.964 177.584 0.016 0.000 1.061 89 A CA 1.226 53.209 52.037 -0.091 0.000 0.758 89 A CB -0.956 17.907 19.000 -0.228 0.000 0.991 89 A HN 0.218 nan 8.150 nan 0.000 0.502 90 T N 1.567 116.214 114.554 0.155 0.000 12.481 90 T HA -0.315 4.035 4.350 -0.000 0.000 0.418 90 T C 1.915 176.793 174.700 0.297 0.000 1.450 90 T CA 2.416 64.707 62.100 0.319 0.000 2.393 90 T CB -1.880 67.220 68.868 0.385 0.000 2.837 90 T HN 1.006 nan 8.240 nan 0.000 0.792 91 S N 0.828 116.602 115.700 0.124 0.000 2.381 91 S HA -0.176 4.294 4.470 -0.000 0.000 0.230 91 S C 1.747 176.486 174.600 0.231 0.000 1.052 91 S CA 1.937 60.167 58.200 0.051 0.000 1.068 91 S CB -0.452 62.464 63.200 -0.473 0.000 0.918 91 S HN 0.563 nan 8.310 nan 0.000 0.448 92 I N 1.893 122.581 120.570 0.197 0.000 2.286 92 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 92 I C 2.109 178.420 176.117 0.324 0.000 1.115 92 I CA 1.524 63.066 61.300 0.404 0.000 1.392 92 I CB -0.751 37.442 38.000 0.322 0.000 1.065 92 I HN 0.236 nan 8.210 nan 0.000 0.418 93 T N 0.628 115.373 114.554 0.318 0.000 2.821 93 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 93 T C 1.980 176.931 174.700 0.419 0.000 1.046 93 T CA 1.876 64.163 62.100 0.313 0.000 1.139 93 T CB -0.389 68.666 68.868 0.312 0.000 0.871 93 T HN 0.322 nan 8.240 nan 0.000 0.454 94 I N 0.545 121.395 120.570 0.467 0.000 2.202 94 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 94 I C 2.559 178.829 176.117 0.257 0.000 1.091 94 I CA 0.907 62.435 61.300 0.381 0.000 1.368 94 I CB -0.377 37.782 38.000 0.265 0.000 1.058 94 I HN 0.079 nan 8.210 nan 0.000 0.410 95 V N 0.585 120.652 119.914 0.255 0.000 2.719 95 V HA -0.132 3.988 4.120 -0.000 0.000 0.252 95 V C 2.504 178.659 176.094 0.101 0.000 1.065 95 V CA 1.723 64.126 62.300 0.171 0.000 1.086 95 V CB -0.104 31.837 31.823 0.197 0.000 0.700 95 V HN 0.421 nan 8.190 nan 0.000 0.467 96 A N -0.959 121.940 122.820 0.131 0.000 1.930 96 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 96 A C 2.321 179.914 177.584 0.015 0.000 1.175 96 A CA 2.320 54.392 52.037 0.058 0.000 0.627 96 A CB -0.925 18.121 19.000 0.078 0.000 0.815 96 A HN 0.506 nan 8.150 nan 0.000 0.443 97 T N 0.251 114.850 114.554 0.073 0.000 2.708 97 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 97 T C 2.269 176.926 174.700 -0.071 0.000 1.037 97 T CA 1.637 63.760 62.100 0.037 0.000 1.146 97 T CB -0.498 68.495 68.868 0.209 0.000 0.865 97 T HN 0.603 nan 8.240 nan 0.000 0.435 98 A N 1.461 124.266 122.820 -0.024 0.000 1.903 98 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 98 A C 2.308 179.816 177.584 -0.127 0.000 1.191 98 A CA 1.491 53.486 52.037 -0.070 0.000 0.638 98 A CB -1.015 17.974 19.000 -0.019 0.000 0.823 98 A HN 0.492 nan 8.150 nan 0.000 0.451 99 L N -0.819 120.324 121.223 -0.134 0.000 2.046 99 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 99 L C 2.546 179.268 176.870 -0.246 0.000 1.077 99 L CA 1.788 56.497 54.840 -0.218 0.000 0.747 99 L CB -0.880 41.027 42.059 -0.253 0.000 0.896 99 L HN 0.485 nan 8.230 nan 0.000 0.432 100 G N -0.355 108.325 108.800 -0.200 0.000 2.443 100 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 100 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 100 G C 1.536 176.299 174.900 -0.228 0.000 1.131 100 G CA 0.397 45.380 45.100 -0.195 0.000 0.775 100 G HN 0.374 nan 8.290 nan 0.000 0.547 101 L N -0.121 120.941 121.223 -0.268 0.000 2.341 101 L HA 0.081 4.421 4.340 -0.000 0.000 0.214 101 L C 2.836 179.588 176.870 -0.197 0.000 1.115 101 L CA -0.059 54.610 54.840 -0.284 0.000 0.820 101 L CB -0.283 41.566 42.059 -0.350 0.000 0.944 101 L HN 0.088 nan 8.230 nan 0.000 0.452 102 M N 0.240 119.726 119.600 -0.189 0.000 2.082 102 M HA -0.136 4.344 4.480 -0.000 0.000 0.258 102 M C -0.129 176.081 176.300 -0.150 0.000 1.069 102 M CA 2.112 57.316 55.300 -0.161 0.000 1.102 102 M CB -2.191 30.303 32.600 -0.176 0.000 1.336 102 M HN 0.022 nan 8.290 nan 0.000 0.404 103 P HA -0.083 nan 4.420 nan 0.000 0.216 103 P C 1.929 179.152 177.300 -0.128 0.000 1.150 103 P CA 1.041 64.050 63.100 -0.150 0.000 0.837 103 P CB -0.061 31.541 31.700 -0.163 0.000 0.786 104 V N -0.581 119.258 119.914 -0.126 0.000 2.379 104 V HA -0.190 3.929 4.120 -0.000 0.000 0.245 104 V C 2.317 178.375 176.094 -0.060 0.000 1.044 104 V CA 1.419 63.666 62.300 -0.087 0.000 1.036 104 V CB -0.989 30.796 31.823 -0.063 0.000 0.664 104 V HN 0.053 nan 8.190 nan 0.000 0.453 105 I N -0.427 120.100 120.570 -0.073 0.000 2.264 105 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 105 I C 2.139 178.222 176.117 -0.057 0.000 1.111 105 I CA 1.723 62.989 61.300 -0.057 0.000 1.382 105 I CB -0.148 37.811 38.000 -0.069 0.000 1.060 105 I HN 0.271 nan 8.210 nan 0.000 0.418 106 L N 0.126 121.303 121.223 -0.076 0.000 2.416 106 L HA 0.017 4.357 4.340 -0.000 0.000 0.216 106 L C 1.699 178.521 176.870 -0.081 0.000 1.098 106 L CA -0.360 54.431 54.840 -0.082 0.000 0.840 106 L CB -0.218 41.778 42.059 -0.105 0.000 0.981 106 L HN 0.470 nan 8.230 nan 0.000 0.462 107 C N -0.754 118.501 119.300 -0.076 0.000 2.758 107 C HA 0.064 4.524 4.460 -0.000 0.000 0.371 107 C C 0.687 175.648 174.990 -0.048 0.000 1.342 107 C CA -0.690 58.286 59.018 -0.068 0.000 2.257 107 C CB 0.223 27.922 27.740 -0.069 0.000 2.621 107 C HN 0.318 nan 8.230 nan 0.000 0.730 108 D N 1.241 121.617 120.400 -0.041 0.000 3.068 108 D HA 0.189 4.828 4.640 -0.000 0.000 0.327 108 D C -0.263 176.028 176.300 -0.014 0.000 1.361 108 D CA 0.448 54.432 54.000 -0.027 0.000 0.877 108 D CB 0.630 41.413 40.800 -0.029 0.000 1.088 108 D HN 0.639 nan 8.370 nan 0.000 0.489 109 S N 1.169 116.865 115.700 -0.007 0.000 2.399 109 S HA 0.336 4.805 4.470 -0.000 0.000 0.215 109 S C -1.850 172.764 174.600 0.024 0.000 1.456 109 S CA -1.482 56.723 58.200 0.008 0.000 1.199 109 S CB 1.170 64.373 63.200 0.006 0.000 1.063 109 S HN -0.171 nan 8.310 nan 0.000 0.476 110 P HA -0.173 nan 4.420 nan 0.000 0.217 110 P C 1.716 179.038 177.300 0.036 0.000 1.148 110 P CA 1.492 64.606 63.100 0.024 0.000 0.834 110 P CB 0.054 31.764 31.700 0.016 0.000 0.783 111 S N -1.476 114.249 115.700 0.041 0.000 2.368 111 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 111 S C 1.875 176.528 174.600 0.087 0.000 1.029 111 S CA 0.937 59.166 58.200 0.049 0.000 0.988 111 S CB -1.452 61.775 63.200 0.046 0.000 0.838 111 S HN -0.074 nan 8.310 nan 0.000 0.462 112 L N 2.092 123.391 121.223 0.128 0.000 2.017 112 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 112 L C 2.934 179.962 176.870 0.263 0.000 1.073 112 L CA 1.771 56.764 54.840 0.255 0.000 0.745 112 L CB -1.271 40.883 42.059 0.159 0.000 0.894 112 L HN 0.433 nan 8.230 nan 0.000 0.432 113 Q N -1.159 118.722 119.800 0.136 0.000 2.061 113 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 113 Q C 2.173 178.235 176.000 0.104 0.000 0.984 113 Q CA 1.597 57.465 55.803 0.108 0.000 0.846 113 Q CB -0.318 28.453 28.738 0.055 0.000 0.902 113 Q HN 0.447 nan 8.270 nan 0.000 0.421 114 E N 1.488 121.728 120.200 0.066 0.000 2.023 114 E HA -0.246 4.103 4.350 -0.000 0.000 0.196 114 E C 1.933 178.540 176.600 0.012 0.000 1.003 114 E CA 1.425 57.845 56.400 0.034 0.000 0.809 114 E CB -0.031 29.677 29.700 0.013 0.000 0.755 114 E HN 0.202 nan 8.360 nan 0.000 0.449 115 K N -0.847 119.535 120.400 -0.030 0.000 2.002 115 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 115 K C 2.156 178.608 176.600 -0.248 0.000 1.048 115 K CA 1.653 57.815 56.287 -0.208 0.000 0.930 115 K CB -0.228 32.046 32.500 -0.377 0.000 0.714 115 K HN 0.061 nan 8.250 nan 0.000 0.438 116 F N 0.414 120.408 119.950 0.073 0.000 2.664 116 F HA 0.120 4.647 4.527 -0.000 0.000 0.296 116 F C 1.598 177.526 175.800 0.213 0.000 1.125 116 F CA 0.299 58.371 58.000 0.120 0.000 1.444 116 F CB 0.239 39.293 39.000 0.090 0.000 1.114 116 F HN -0.048 nan 8.300 nan 0.000 0.576 117 L N -0.587 120.823 121.223 0.311 0.000 2.529 117 L HA 0.033 4.372 4.340 -0.000 0.000 0.223 117 L C 2.264 179.318 176.870 0.306 0.000 1.113 117 L CA 0.310 55.355 54.840 0.341 0.000 0.861 117 L CB -0.351 41.818 42.059 0.183 0.000 1.012 117 L HN 0.019 nan 8.230 nan 0.000 0.461 118 K N 1.200 121.697 120.400 0.161 0.000 2.044 118 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 118 K C -0.512 176.103 176.600 0.025 0.000 1.049 118 K CA 1.696 58.024 56.287 0.069 0.000 0.927 118 K CB -0.658 31.846 32.500 0.007 0.000 0.713 118 K HN 0.181 nan 8.250 nan 0.000 0.443 119 P HA -0.127 nan 4.420 nan 0.000 0.218 119 P C 0.582 177.718 177.300 -0.272 0.000 1.148 119 P CA 1.228 64.180 63.100 -0.248 0.000 0.822 119 P CB 0.010 31.413 31.700 -0.495 0.000 0.784 120 F N -0.922 119.070 119.950 0.069 0.000 2.615 120 F HA 0.123 4.650 4.527 -0.000 0.000 0.297 120 F C 1.924 177.746 175.800 0.037 0.000 1.124 120 F CA 0.466 58.506 58.000 0.067 0.000 1.451 120 F CB -0.710 38.336 39.000 0.075 0.000 1.103 120 F HN -0.090 nan 8.300 nan 0.000 0.569 121 I N -2.650 118.018 120.570 0.162 0.000 4.018 121 I HA 0.176 4.346 4.170 -0.000 0.000 0.337 121 I C 1.839 177.980 176.117 0.041 0.000 1.327 121 I CA 0.441 61.796 61.300 0.091 0.000 1.100 121 I CB -0.357 37.689 38.000 0.078 0.000 1.025 121 I HN 0.021 nan 8.210 nan 0.000 0.396 122 S N 1.296 117.010 115.700 0.023 0.000 2.406 122 S HA 0.122 4.592 4.470 -0.000 0.000 0.228 122 S C 1.869 176.467 174.600 -0.003 0.000 1.020 122 S CA 0.811 59.011 58.200 -0.000 0.000 0.965 122 S CB -0.618 62.570 63.200 -0.020 0.000 0.798 122 S HN 0.879 nan 8.310 nan 0.000 0.488 123 G N 0.720 109.522 108.800 0.002 0.000 2.143 123 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 123 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 123 G C -0.281 174.614 174.900 -0.008 0.000 0.991 123 G CA 0.334 45.432 45.100 -0.004 0.000 0.689 123 G HN 0.641 nan 8.290 nan 0.000 0.522 124 E N -0.848 119.347 120.200 -0.008 0.000 2.312 124 E HA 0.600 4.950 4.350 -0.000 0.000 0.267 124 E C 0.827 177.429 176.600 0.003 0.000 0.894 124 E CA -0.422 55.974 56.400 -0.008 0.000 0.773 124 E CB 1.860 31.552 29.700 -0.015 0.000 1.241 124 E HN 1.369 nan 8.360 nan 0.000 0.432 125 G N 1.651 110.458 108.800 0.012 0.000 2.601 125 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 125 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 125 G C -0.500 174.467 174.900 0.112 0.000 1.294 125 G CA -0.086 45.038 45.100 0.041 0.000 0.912 125 G HN 0.534 nan 8.290 nan 0.000 0.574 126 E N 1.172 121.504 120.200 0.221 0.000 3.935 126 E HA 0.388 4.738 4.350 -0.000 0.000 0.226 126 E C -2.455 174.559 176.600 0.690 0.000 1.220 126 E CA -1.119 55.599 56.400 0.531 0.000 1.226 126 E CB 1.607 31.580 29.700 0.455 0.000 1.237 126 E HN 0.521 nan 8.360 nan 0.000 0.417 127 P HA 0.187 nan 4.420 nan 0.000 0.279 127 P C -0.539 177.064 177.300 0.506 0.000 1.239 127 P CA -0.300 62.941 63.100 0.235 0.000 0.789 127 P CB 1.287 32.779 31.700 -0.345 0.000 0.933 128 L N 2.125 123.569 121.223 0.369 0.000 2.346 128 L HA 0.746 5.086 4.340 -0.000 0.000 0.276 128 L C 0.388 177.493 176.870 0.392 0.000 1.006 128 L CA -0.872 54.141 54.840 0.288 0.000 0.817 128 L CB 1.933 43.923 42.059 -0.114 0.000 1.272 128 L HN 0.382 nan 8.230 nan 0.000 0.421 129 A N 1.910 124.882 122.820 0.253 0.000 2.356 129 A HA 0.852 5.172 4.320 -0.000 0.000 0.323 129 A C -0.674 176.909 177.584 -0.002 0.000 1.119 129 A CA -0.503 51.574 52.037 0.068 0.000 0.790 129 A CB 1.944 20.800 19.000 -0.240 0.000 1.273 129 A HN 0.530 nan 8.150 nan 0.000 0.452 130 S N 0.263 115.952 115.700 -0.020 0.000 2.546 130 S HA 0.500 4.970 4.470 -0.000 0.000 0.272 130 S C -1.749 172.817 174.600 -0.058 0.000 1.140 130 S CA -0.472 57.707 58.200 -0.035 0.000 0.920 130 S CB 1.140 64.337 63.200 -0.005 0.000 1.083 130 S HN 1.286 nan 8.310 nan 0.000 0.476 131 L N 5.982 127.150 121.223 -0.092 0.000 2.270 131 L HA 0.578 4.918 4.340 -0.000 0.000 0.286 131 L C -0.554 176.309 176.870 -0.012 0.000 1.059 131 L CA 0.128 54.903 54.840 -0.109 0.000 0.839 131 L CB 0.187 42.088 42.059 -0.263 0.000 1.221 131 L HN 0.775 nan 8.230 nan 0.000 0.431 132 M N 5.429 125.041 119.600 0.019 0.000 2.664 132 M HA 0.176 4.656 4.480 -0.000 0.000 0.332 132 M C 0.595 176.947 176.300 0.087 0.000 1.354 132 M CA 0.037 55.376 55.300 0.065 0.000 1.399 132 M CB 0.154 32.802 32.600 0.080 0.000 1.224 132 M HN 0.676 nan 8.290 nan 0.000 0.479 133 H N 0.195 119.267 119.070 0.003 0.000 2.373 133 H HA 0.259 4.815 4.556 -0.000 0.000 0.290 133 H C 0.255 175.527 175.328 -0.094 0.000 0.989 133 H CA 0.146 56.148 56.048 -0.077 0.000 1.250 133 H CB 0.766 30.495 29.762 -0.055 0.000 1.477 133 H HN 0.447 nan 8.280 nan 0.000 0.551 134 S N 1.499 117.175 115.700 -0.040 0.000 2.563 134 S HA 0.067 4.536 4.470 -0.000 0.000 0.284 134 S C -0.147 174.446 174.600 -0.011 0.000 1.331 134 S CA 0.243 58.422 58.200 -0.036 0.000 1.047 134 S CB 0.844 64.154 63.200 0.183 0.000 0.859 134 S HN 0.391 nan 8.310 nan 0.000 0.514 135 E N 1.410 121.609 120.200 -0.002 0.000 2.393 135 E HA 0.240 4.590 4.350 -0.000 0.000 0.273 135 E C -2.163 174.434 176.600 -0.005 0.000 0.918 135 E CA -2.141 54.244 56.400 -0.024 0.000 0.773 135 E CB 1.287 30.950 29.700 -0.062 0.000 1.275 135 E HN 0.167 nan 8.360 nan 0.000 0.451 136 P HA -0.165 nan 4.420 nan 0.000 0.216 136 P C 0.407 177.689 177.300 -0.031 0.000 1.150 136 P CA 1.476 64.494 63.100 -0.137 0.000 0.843 136 P CB 0.143 31.731 31.700 -0.186 0.000 0.787 137 N N -1.304 117.390 118.700 -0.011 0.000 2.398 137 N HA 0.175 4.915 4.740 -0.000 0.000 0.188 137 N C 0.633 176.155 175.510 0.021 0.000 1.122 137 N CA 0.276 53.330 53.050 0.007 0.000 0.866 137 N CB 0.142 38.633 38.487 0.008 0.000 0.970 137 N HN 0.132 nan 8.380 nan 0.000 0.462 138 G N 0.238 109.056 108.800 0.028 0.000 2.663 138 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 138 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 138 G C 0.218 175.108 174.900 -0.016 0.000 1.288 138 G CA -0.140 44.973 45.100 0.021 0.000 0.836 138 G HN 0.161 nan 8.290 nan 0.000 0.584 139 T N -3.276 111.257 114.554 -0.035 0.000 3.130 139 T HA 0.590 4.940 4.350 -0.000 0.000 0.288 139 T C 2.180 176.934 174.700 0.090 0.000 0.936 139 T CA 1.422 63.489 62.100 -0.056 0.000 0.897 139 T CB 0.477 69.153 68.868 -0.320 0.000 1.178 139 T HN 2.128 nan 8.240 nan 0.000 0.543 140 A N 2.607 125.465 122.820 0.063 0.000 2.084 140 A HA -0.052 4.268 4.320 -0.000 0.000 0.221 140 A C 1.654 179.334 177.584 0.161 0.000 1.161 140 A CA 1.632 53.726 52.037 0.095 0.000 0.653 140 A CB -0.764 18.256 19.000 0.033 0.000 0.802 140 A HN 0.659 nan 8.150 nan 0.000 0.457 141 N N -0.841 117.956 118.700 0.162 0.000 2.235 141 N HA 0.076 4.816 4.740 -0.000 0.000 0.231 141 N C 1.011 176.617 175.510 0.160 0.000 1.177 141 N CA 0.132 53.255 53.050 0.120 0.000 0.874 141 N CB 0.187 38.713 38.487 0.064 0.000 1.097 141 N HN 0.808 nan 8.380 nan 0.000 0.518 142 W N 0.440 121.738 121.300 -0.004 0.000 2.364 142 W HA -0.052 4.607 4.660 -0.000 0.000 0.281 142 W C 0.079 176.608 176.519 0.016 0.000 1.219 142 W CA 0.550 57.898 57.345 0.005 0.000 1.220 142 W CB -0.700 28.775 29.460 0.025 0.000 1.127 142 W HN 0.094 nan 8.180 nan 0.000 0.556 143 L N 0.964 121.950 121.223 -0.396 0.000 2.667 143 L HA 0.201 4.541 4.340 -0.000 0.000 0.232 143 L C 1.304 178.044 176.870 -0.216 0.000 1.138 143 L CA -0.088 54.465 54.840 -0.478 0.000 0.921 143 L CB -0.476 41.152 42.059 -0.718 0.000 1.180 143 L HN -0.121 nan 8.230 nan 0.000 0.487 144 Q N 2.671 122.406 119.800 -0.108 0.000 2.244 144 Q HA -0.013 4.327 4.340 -0.000 0.000 0.278 144 Q C 0.065 176.031 176.000 -0.056 0.000 1.093 144 Q CA 0.254 56.020 55.803 -0.063 0.000 0.916 144 Q CB 0.604 29.329 28.738 -0.022 0.000 1.159 144 Q HN 0.104 nan 8.270 nan 0.000 0.384 145 K N 2.696 123.061 120.400 -0.058 0.000 2.416 145 K HA 0.108 4.428 4.320 -0.000 0.000 0.283 145 K C 0.566 177.149 176.600 -0.027 0.000 1.037 145 K CA 1.057 57.317 56.287 -0.045 0.000 0.995 145 K CB 0.110 32.583 32.500 -0.045 0.000 0.938 145 K HN 0.921 nan 8.250 nan 0.000 0.475 146 G N 2.464 111.253 108.800 -0.019 0.000 2.213 146 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 146 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 146 G C 0.319 175.216 174.900 -0.005 0.000 0.992 146 G CA -0.204 44.890 45.100 -0.011 0.000 0.632 146 G HN 0.913 nan 8.290 nan 0.000 0.511 147 G N 0.050 108.848 108.800 -0.004 0.000 2.511 147 G HA2 0.672 4.632 3.960 -0.000 0.000 0.316 147 G HA3 0.672 4.632 3.960 -0.000 0.000 0.316 147 G C -0.417 174.491 174.900 0.014 0.000 1.210 147 G CA -0.284 44.819 45.100 0.006 0.000 0.969 147 G HN 0.059 nan 8.290 nan 0.000 0.492 148 P HA 0.041 nan 4.420 nan 0.000 0.218 148 P C 1.268 178.591 177.300 0.038 0.000 1.149 148 P CA 1.463 64.579 63.100 0.027 0.000 0.817 148 P CB -0.085 31.632 31.700 0.027 0.000 0.785 149 G N 0.067 108.897 108.800 0.051 0.000 2.750 149 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.228 149 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.228 149 G C -0.481 174.476 174.900 0.097 0.000 1.367 149 G CA -0.502 44.648 45.100 0.082 0.000 0.871 149 G HN 0.299 nan 8.290 nan 0.000 0.560 150 L N 0.431 121.735 121.223 0.135 0.000 2.543 150 L HA 0.067 4.407 4.340 -0.000 0.000 0.285 150 L C 1.630 178.530 176.870 0.051 0.000 1.236 150 L CA 0.234 55.126 54.840 0.086 0.000 0.871 150 L CB 0.467 42.588 42.059 0.104 0.000 1.121 150 L HN 0.603 nan 8.230 nan 0.000 0.501 151 Q N 0.602 120.419 119.800 0.027 0.000 2.282 151 Q HA 0.126 4.466 4.340 -0.000 0.000 0.206 151 Q C -0.047 175.974 176.000 0.035 0.000 0.878 151 Q CA 0.202 56.024 55.803 0.032 0.000 0.944 151 Q CB 0.585 29.340 28.738 0.028 0.000 1.100 151 Q HN 0.618 nan 8.270 nan 0.000 0.509 152 T N 2.464 117.033 114.554 0.025 0.000 2.728 152 T HA 0.343 4.693 4.350 -0.000 0.000 0.296 152 T C 0.285 174.991 174.700 0.010 0.000 0.940 152 T CA -0.164 61.948 62.100 0.020 0.000 1.013 152 T CB 0.955 69.821 68.868 -0.003 0.000 0.912 152 T HN 0.186 nan 8.240 nan 0.000 0.484 153 T N 0.202 114.770 114.554 0.022 0.000 2.942 153 T HA 0.870 5.220 4.350 -0.000 0.000 0.289 153 T C -0.596 174.130 174.700 0.043 0.000 1.044 153 T CA -1.095 61.028 62.100 0.039 0.000 1.023 153 T CB 1.980 70.881 68.868 0.055 0.000 1.123 153 T HN 0.641 nan 8.240 nan 0.000 0.512 154 A N 1.602 124.476 122.820 0.090 0.000 2.435 154 A HA 0.897 5.216 4.320 -0.000 0.000 0.304 154 A C -0.429 177.326 177.584 0.284 0.000 1.064 154 A CA -1.306 50.840 52.037 0.181 0.000 0.727 154 A CB 1.432 20.533 19.000 0.169 0.000 1.284 154 A HN 1.168 nan 8.150 nan 0.000 0.415 155 R N 1.010 121.677 120.500 0.278 0.000 2.725 155 R HA 0.659 4.998 4.340 -0.000 0.000 0.277 155 R C -1.046 175.203 176.300 -0.085 0.000 0.987 155 R CA -0.863 55.318 56.100 0.135 0.000 0.901 155 R CB 1.765 32.085 30.300 0.034 0.000 1.207 155 R HN 0.522 nan 8.270 nan 0.000 0.463 156 K N 1.956 122.060 120.400 -0.493 0.000 2.258 156 K HA 0.313 4.633 4.320 -0.000 0.000 0.284 156 K C -1.149 175.200 176.600 -0.419 0.000 1.051 156 K CA -0.576 55.184 56.287 -0.878 0.000 0.923 156 K CB 1.437 33.152 32.500 -1.308 0.000 1.046 156 K HN 0.441 nan 8.250 nan 0.000 0.474 157 V N 4.830 124.551 119.914 -0.322 0.000 2.357 157 V HA 0.339 4.459 4.120 -0.000 0.000 0.281 157 V C 0.697 176.708 176.094 -0.137 0.000 1.015 157 V CA 0.071 62.271 62.300 -0.166 0.000 0.827 157 V CB 0.393 32.171 31.823 -0.074 0.000 1.018 157 V HN 1.200 nan 8.190 nan 0.000 0.432 158 G N 5.636 114.349 108.800 -0.145 0.000 2.561 158 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.289 158 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.289 158 G C 0.486 175.289 174.900 -0.161 0.000 1.169 158 G CA 0.783 45.812 45.100 -0.119 0.000 0.980 158 G HN 1.184 nan 8.290 nan 0.000 0.550 159 N N 0.906 119.550 118.700 -0.094 0.000 2.327 159 N HA 0.412 5.152 4.740 -0.000 0.000 0.231 159 N C 0.204 175.731 175.510 0.028 0.000 1.130 159 N CA 0.381 53.390 53.050 -0.068 0.000 0.845 159 N CB 0.443 38.919 38.487 -0.017 0.000 1.073 159 N HN 0.712 nan 8.380 nan 0.000 0.496 160 E N -0.346 119.838 120.200 -0.027 0.000 2.393 160 E HA 0.315 4.665 4.350 -0.000 0.000 0.273 160 E C -1.507 175.047 176.600 -0.076 0.000 0.918 160 E CA -0.896 55.553 56.400 0.082 0.000 0.773 160 E CB 1.384 31.180 29.700 0.160 0.000 1.275 160 E HN 0.169 nan 8.360 nan 0.000 0.451 161 W N 0.753 122.092 121.300 0.065 0.000 2.606 161 W HA 0.487 5.147 4.660 -0.000 0.000 0.332 161 W C -0.836 175.646 176.519 -0.062 0.000 1.052 161 W CA -0.546 56.808 57.345 0.016 0.000 1.223 161 W CB 1.395 30.873 29.460 0.031 0.000 1.383 161 W HN 0.114 nan 8.180 nan 0.000 0.524 162 V N 5.118 125.091 119.914 0.099 0.000 2.357 162 V HA 0.402 4.522 4.120 -0.000 0.000 0.284 162 V C -0.075 176.057 176.094 0.063 0.000 1.018 162 V CA -0.972 61.285 62.300 -0.072 0.000 0.841 162 V CB 0.733 32.413 31.823 -0.238 0.000 0.991 162 V HN 0.371 nan 8.190 nan 0.000 0.437 163 I N 3.528 124.158 120.570 0.100 0.000 2.385 163 I HA 0.513 4.682 4.170 -0.000 0.000 0.294 163 I C 0.192 176.380 176.117 0.119 0.000 0.988 163 I CA 0.167 61.497 61.300 0.050 0.000 1.265 163 I CB 1.715 39.619 38.000 -0.159 0.000 1.388 163 I HN 0.549 nan 8.210 nan 0.000 0.480 164 S N 3.592 119.344 115.700 0.087 0.000 2.594 164 S HA 0.886 5.356 4.470 -0.000 0.000 0.296 164 S C -0.054 174.616 174.600 0.116 0.000 1.124 164 S CA -0.625 57.650 58.200 0.124 0.000 1.011 164 S CB 1.927 65.178 63.200 0.086 0.000 1.016 164 S HN 1.134 nan 8.310 nan 0.000 0.485 165 G N 2.349 111.244 108.800 0.159 0.000 2.347 165 G HA2 0.179 4.138 3.960 -0.000 0.000 0.341 165 G HA3 0.179 4.138 3.960 -0.000 0.000 0.341 165 G C -2.035 172.969 174.900 0.174 0.000 1.287 165 G CA -0.988 44.190 45.100 0.129 0.000 0.984 165 G HN 0.575 nan 8.290 nan 0.000 0.526 166 E N 0.172 120.437 120.200 0.108 0.000 2.199 166 E HA 0.571 4.921 4.350 -0.000 0.000 0.269 166 E C -0.458 176.195 176.600 0.087 0.000 0.899 166 E CA -0.973 55.475 56.400 0.080 0.000 0.772 166 E CB 1.746 31.507 29.700 0.102 0.000 1.155 166 E HN 0.290 nan 8.360 nan 0.000 0.408 167 K N 2.114 122.558 120.400 0.073 0.000 2.208 167 K HA 0.569 4.889 4.320 -0.000 0.000 0.247 167 K C -0.843 175.746 176.600 -0.019 0.000 0.953 167 K CA -0.745 55.564 56.287 0.036 0.000 0.837 167 K CB 1.677 34.222 32.500 0.075 0.000 1.131 167 K HN 0.447 nan 8.250 nan 0.000 0.431 168 L N 2.060 123.228 121.223 -0.091 0.000 2.464 168 L HA 0.313 4.652 4.340 -0.000 0.000 0.266 168 L C -0.875 175.903 176.870 -0.154 0.000 0.965 168 L CA -0.167 54.480 54.840 -0.322 0.000 0.833 168 L CB 1.098 42.782 42.059 -0.625 0.000 1.296 168 L HN 0.923 nan 8.230 nan 0.000 0.405 169 W N 1.115 122.376 121.300 -0.064 0.000 0.689 169 W HA -0.185 4.475 4.660 -0.000 0.000 0.223 169 W C -1.815 174.689 176.519 -0.025 0.000 0.941 169 W CA -0.332 56.990 57.345 -0.039 0.000 0.346 169 W CB -1.852 27.595 29.460 -0.021 0.000 1.939 169 W HN 0.338 nan 8.180 nan 0.000 1.088 170 P HA 0.203 nan 4.420 nan 0.000 0.266 170 P C 0.253 177.572 177.300 0.032 0.000 1.215 170 P CA 0.940 64.100 63.100 0.101 0.000 0.763 170 P CB 0.928 32.671 31.700 0.071 0.000 0.806 171 S N 3.701 119.416 115.700 0.026 0.000 2.560 171 S HA 0.006 4.476 4.470 -0.000 0.000 0.284 171 S C 1.036 175.576 174.600 -0.100 0.000 1.327 171 S CA -0.068 58.107 58.200 -0.042 0.000 1.055 171 S CB -0.377 62.824 63.200 0.001 0.000 0.868 171 S HN 0.516 nan 8.310 nan 0.000 0.506 172 N N 0.123 118.685 118.700 -0.229 0.000 2.900 172 N HA -0.226 4.514 4.740 -0.000 0.000 0.240 172 N C 1.287 176.724 175.510 -0.122 0.000 0.953 172 N CA 1.398 54.304 53.050 -0.240 0.000 0.950 172 N CB -2.005 36.392 38.487 -0.150 0.000 1.102 172 N HN 0.787 nan 8.380 nan 0.000 0.593 173 S N -1.048 114.607 115.700 -0.075 0.000 2.400 173 S HA -0.048 4.422 4.470 -0.000 0.000 0.232 173 S C 1.791 176.431 174.600 0.067 0.000 1.025 173 S CA 1.361 59.562 58.200 0.002 0.000 0.993 173 S CB -0.508 62.691 63.200 -0.002 0.000 0.808 173 S HN 0.562 nan 8.310 nan 0.000 0.478 174 G N 0.210 109.050 108.800 0.068 0.000 3.189 174 G HA2 0.513 4.473 3.960 -0.000 0.000 0.225 174 G HA3 0.513 4.473 3.960 -0.000 0.000 0.225 174 G C 0.840 175.888 174.900 0.247 0.000 1.159 174 G CA 0.072 45.295 45.100 0.204 0.000 0.763 174 G HN 1.122 nan 8.290 nan 0.000 0.549 175 G N -0.627 108.236 108.800 0.105 0.000 2.692 175 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 175 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 175 G C 0.691 175.664 174.900 0.122 0.000 1.340 175 G CA 0.129 45.243 45.100 0.025 0.000 0.896 175 G HN 0.288 nan 8.290 nan 0.000 0.570 176 W N 0.028 121.466 121.300 0.231 0.000 2.465 176 W HA 0.207 4.867 4.660 -0.000 0.000 0.268 176 W C 2.071 178.628 176.519 0.064 0.000 1.242 176 W CA 1.107 58.542 57.345 0.150 0.000 1.248 176 W CB 0.096 29.550 29.460 -0.011 0.000 1.118 176 W HN 0.691 nan 8.180 nan 0.000 0.587 177 D N -3.792 116.765 120.400 0.261 0.000 2.556 177 D HA -0.049 4.591 4.640 -0.000 0.000 0.237 177 D C 0.178 176.586 176.300 0.179 0.000 1.296 177 D CA -0.649 53.431 54.000 0.134 0.000 0.807 177 D CB -0.970 39.923 40.800 0.155 0.000 1.084 177 D HN 0.059 nan 8.370 nan 0.000 0.510 178 Y N 0.519 120.915 120.300 0.159 0.000 4.668 178 Y HA -0.254 4.296 4.550 -0.000 0.000 0.234 178 Y C 0.719 176.735 175.900 0.193 0.000 1.056 178 Y CA 0.157 58.341 58.100 0.141 0.000 2.025 178 Y CB -2.461 36.054 38.460 0.091 0.000 1.613 178 Y HN 0.265 nan 8.280 nan 0.000 0.653 179 K N 0.275 120.856 120.400 0.303 0.000 2.372 179 K HA 0.482 4.802 4.320 -0.000 0.000 0.200 179 K C 1.057 177.721 176.600 0.105 0.000 1.022 179 K CA 0.596 56.999 56.287 0.193 0.000 1.125 179 K CB 0.677 33.262 32.500 0.141 0.000 0.855 179 K HN 0.410 nan 8.250 nan 0.000 0.524 180 G N 0.978 109.885 108.800 0.179 0.000 2.525 180 G HA2 0.085 4.045 3.960 -0.000 0.000 0.685 180 G HA3 0.085 4.045 3.960 -0.000 0.000 0.685 180 G C -0.771 174.201 174.900 0.119 0.000 1.285 180 G CA -0.737 44.438 45.100 0.125 0.000 0.849 180 G HN 0.181 nan 8.290 nan 0.000 0.653 181 A N 0.442 123.330 122.820 0.113 0.000 2.507 181 A HA 0.504 4.824 4.320 -0.000 0.000 0.235 181 A C 1.292 178.959 177.584 0.138 0.000 1.070 181 A CA 1.278 53.374 52.037 0.099 0.000 0.768 181 A CB 0.024 19.079 19.000 0.092 0.000 1.011 181 A HN 0.888 nan 8.150 nan 0.000 0.502 182 D N -0.758 119.746 120.400 0.175 0.000 2.182 182 D HA 0.043 4.683 4.640 -0.000 0.000 0.201 182 D C 0.126 176.593 176.300 0.279 0.000 0.986 182 D CA 1.525 55.641 54.000 0.194 0.000 0.847 182 D CB -0.046 40.829 40.800 0.124 0.000 0.942 182 D HN 0.278 nan 8.370 nan 0.000 0.467 183 L N -0.541 120.879 121.223 0.330 0.000 2.516 183 L HA 0.612 4.952 4.340 -0.000 0.000 0.267 183 L C -1.739 175.203 176.870 0.120 0.000 0.957 183 L CA -0.878 54.114 54.840 0.253 0.000 0.860 183 L CB 1.643 43.904 42.059 0.338 0.000 1.265 183 L HN -0.130 nan 8.230 nan 0.000 0.403 184 A N 3.957 126.820 122.820 0.072 0.000 2.330 184 A HA 0.714 5.034 4.320 -0.000 0.000 0.327 184 A C -0.784 176.777 177.584 -0.039 0.000 1.155 184 A CA -0.461 51.594 52.037 0.030 0.000 0.803 184 A CB 1.009 20.060 19.000 0.084 0.000 1.208 184 A HN 0.775 nan 8.150 nan 0.000 0.477 185 C N 3.050 122.307 119.300 -0.073 0.000 2.203 185 C HA 0.485 4.945 4.460 -0.000 0.000 0.325 185 C C 0.330 175.269 174.990 -0.085 0.000 1.156 185 C CA -0.675 58.273 59.018 -0.115 0.000 1.597 185 C CB -0.749 26.905 27.740 -0.144 0.000 2.148 185 C HN 0.565 nan 8.230 nan 0.000 0.472 186 V N 4.915 124.767 119.914 -0.104 0.000 2.406 186 V HA 0.262 4.382 4.120 -0.000 0.000 0.272 186 V C 0.204 176.228 176.094 -0.117 0.000 1.043 186 V CA -0.177 62.055 62.300 -0.114 0.000 0.915 186 V CB 1.101 32.785 31.823 -0.233 0.000 0.988 186 V HN 0.647 nan 8.190 nan 0.000 0.466 187 V N 4.781 124.663 119.914 -0.053 0.000 2.383 187 V HA 0.386 4.506 4.120 -0.000 0.000 0.275 187 V C 0.117 176.204 176.094 -0.012 0.000 1.036 187 V CA -0.284 62.016 62.300 -0.000 0.000 0.889 187 V CB 0.893 32.791 31.823 0.126 0.000 0.985 187 V HN 1.012 nan 8.190 nan 0.000 0.459 188 C N 4.487 123.778 119.300 -0.015 0.000 2.667 188 C HA 0.672 5.132 4.460 -0.000 0.000 0.323 188 C C 0.255 175.277 174.990 0.053 0.000 1.214 188 C CA -1.107 57.905 59.018 -0.011 0.000 1.721 188 C CB 1.741 29.440 27.740 -0.068 0.000 2.275 188 C HN 0.945 nan 8.230 nan 0.000 0.491 189 R N 0.939 121.479 120.500 0.067 0.000 2.312 189 R HA 0.572 4.912 4.340 -0.000 0.000 0.311 189 R C -1.006 175.337 176.300 0.072 0.000 1.004 189 R CA -0.242 55.906 56.100 0.081 0.000 0.902 189 R CB 0.761 31.113 30.300 0.087 0.000 1.073 189 R HN 0.658 nan 8.270 nan 0.000 0.457 190 V N 3.557 123.520 119.914 0.081 0.000 2.521 190 V HA 0.111 4.231 4.120 -0.000 0.000 0.286 190 V C 0.097 176.253 176.094 0.104 0.000 1.034 190 V CA 0.542 62.918 62.300 0.128 0.000 1.045 190 V CB 1.134 33.054 31.823 0.162 0.000 0.974 190 V HN 0.757 nan 8.190 nan 0.000 0.480 191 S N 2.931 118.696 115.700 0.109 0.000 2.689 191 S HA 0.271 4.741 4.470 -0.000 0.000 0.274 191 S C 0.511 175.151 174.600 0.066 0.000 1.176 191 S CA -0.695 57.549 58.200 0.074 0.000 1.014 191 S CB 1.289 64.524 63.200 0.059 0.000 1.071 191 S HN 0.841 nan 8.310 nan 0.000 0.478 192 D N 2.003 122.431 120.400 0.047 0.000 2.144 192 D HA -0.049 4.590 4.640 -0.000 0.000 0.200 192 D C -0.018 176.293 176.300 0.018 0.000 0.978 192 D CA 1.139 55.153 54.000 0.022 0.000 0.833 192 D CB 0.281 41.085 40.800 0.008 0.000 0.961 192 D HN 0.537 nan 8.370 nan 0.000 0.470 193 D N -0.598 119.815 120.400 0.023 0.000 2.438 193 D HA 0.121 4.761 4.640 -0.000 0.000 0.257 193 D C -1.773 174.543 176.300 0.027 0.000 1.148 193 D CA -2.015 51.998 54.000 0.021 0.000 0.902 193 D CB 1.745 42.554 40.800 0.015 0.000 1.062 193 D HN -0.073 nan 8.370 nan 0.000 0.518 194 P HA -0.118 nan 4.420 nan 0.000 0.222 194 P C 1.068 178.386 177.300 0.030 0.000 1.147 194 P CA 0.625 63.746 63.100 0.035 0.000 0.790 194 P CB 0.173 31.896 31.700 0.040 0.000 0.780 195 S N -1.687 114.028 115.700 0.025 0.000 2.561 195 S HA 0.025 4.495 4.470 -0.000 0.000 0.225 195 S C 0.889 175.500 174.600 0.019 0.000 0.977 195 S CA 0.070 58.283 58.200 0.022 0.000 0.926 195 S CB -0.588 62.623 63.200 0.019 0.000 0.769 195 S HN 0.131 nan 8.310 nan 0.000 0.533 196 K N 2.068 122.480 120.400 0.020 0.000 2.123 196 K HA 0.503 4.823 4.320 -0.000 0.000 0.259 196 K C -2.949 173.663 176.600 0.020 0.000 0.960 196 K CA -2.234 54.063 56.287 0.018 0.000 0.872 196 K CB 0.667 33.176 32.500 0.016 0.000 1.079 196 K HN 0.091 nan 8.250 nan 0.000 0.440 197 P HA 0.008 nan 4.420 nan 0.000 0.275 197 P C -0.821 176.490 177.300 0.018 0.000 1.228 197 P CA -0.483 62.627 63.100 0.017 0.000 0.786 197 P CB 0.496 32.204 31.700 0.014 0.000 0.927 198 Q N 1.692 121.504 119.800 0.020 0.000 2.283 198 Q HA -0.076 4.264 4.340 -0.000 0.000 0.301 198 Q C 0.016 176.023 176.000 0.011 0.000 1.063 198 Q CA 0.118 55.932 55.803 0.018 0.000 0.952 198 Q CB 0.174 28.924 28.738 0.019 0.000 1.166 198 Q HN 0.360 nan 8.270 nan 0.000 0.381 199 D N 5.810 126.216 120.400 0.010 0.000 2.412 199 D HA -0.012 4.628 4.640 -0.000 0.000 0.257 199 D C -1.619 174.681 176.300 0.000 0.000 1.217 199 D CA -1.429 52.575 54.000 0.006 0.000 0.897 199 D CB 1.106 41.910 40.800 0.006 0.000 1.132 199 D HN 0.454 nan 8.370 nan 0.000 0.493 200 P HA -0.040 nan 4.420 nan 0.000 0.239 200 P C 0.382 177.677 177.300 -0.008 0.000 1.184 200 P CA 0.432 63.529 63.100 -0.005 0.000 0.760 200 P CB 0.517 32.216 31.700 -0.003 0.000 0.884 201 N N -0.188 118.508 118.700 -0.007 0.000 2.205 201 N HA 0.067 4.806 4.740 -0.000 0.000 0.201 201 N C 0.346 175.850 175.510 -0.010 0.000 1.128 201 N CA 0.179 53.224 53.050 -0.008 0.000 0.867 201 N CB 1.373 39.857 38.487 -0.005 0.000 0.996 201 N HN 0.132 nan 8.380 nan 0.000 0.503 202 V N -0.535 119.373 119.914 -0.011 0.000 2.483 202 V HA 0.401 4.521 4.120 -0.000 0.000 0.295 202 V C -0.239 175.840 176.094 -0.025 0.000 1.035 202 V CA -1.042 61.249 62.300 -0.014 0.000 0.896 202 V CB 1.775 33.595 31.823 -0.006 0.000 0.986 202 V HN -0.144 nan 8.190 nan 0.000 0.447 203 D N 5.928 126.308 120.400 -0.033 0.000 2.412 203 D HA 0.241 4.881 4.640 -0.000 0.000 0.257 203 D C -1.536 174.725 176.300 -0.065 0.000 1.217 203 D CA -1.292 52.677 54.000 -0.052 0.000 0.897 203 D CB 1.691 42.459 40.800 -0.054 0.000 1.132 203 D HN 0.447 nan 8.370 nan 0.000 0.493 204 P HA -0.177 nan 4.420 nan 0.000 0.216 204 P C 0.912 178.128 177.300 -0.140 0.000 1.150 204 P CA 1.653 64.691 63.100 -0.103 0.000 0.843 204 P CB 0.095 31.710 31.700 -0.141 0.000 0.787 205 A N -0.499 122.210 122.820 -0.185 0.000 2.019 205 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 205 A C 2.141 179.664 177.584 -0.102 0.000 1.164 205 A CA 2.221 54.141 52.037 -0.195 0.000 0.644 205 A CB -1.879 17.005 19.000 -0.193 0.000 0.805 205 A HN 0.366 nan 8.150 nan 0.000 0.449 206 T N -3.774 110.738 114.554 -0.069 0.000 3.118 206 T HA 0.008 4.358 4.350 -0.000 0.000 0.260 206 T C 1.169 175.862 174.700 -0.012 0.000 1.139 206 T CA 1.031 63.111 62.100 -0.034 0.000 1.085 206 T CB -0.032 68.822 68.868 -0.024 0.000 0.934 206 T HN 0.351 nan 8.240 nan 0.000 0.518 207 Q N 0.399 120.192 119.800 -0.011 0.000 2.179 207 Q HA 0.368 4.708 4.340 -0.000 0.000 0.213 207 Q C -0.180 175.839 176.000 0.032 0.000 0.833 207 Q CA -0.200 55.615 55.803 0.020 0.000 0.990 207 Q CB 0.515 29.268 28.738 0.026 0.000 1.132 207 Q HN 0.493 nan 8.270 nan 0.000 0.493 208 I N 1.357 121.941 120.570 0.023 0.000 2.371 208 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 208 I C 0.269 176.385 176.117 -0.000 0.000 1.028 208 I CA -0.621 60.716 61.300 0.061 0.000 1.345 208 I CB 0.656 38.729 38.000 0.121 0.000 1.407 208 I HN -0.111 nan 8.210 nan 0.000 0.501 209 A N 6.638 129.434 122.820 -0.041 0.000 2.380 209 A HA 0.825 5.145 4.320 -0.000 0.000 0.315 209 A C -0.939 176.552 177.584 -0.155 0.000 1.101 209 A CA -0.520 51.414 52.037 -0.170 0.000 0.771 209 A CB 1.795 20.594 19.000 -0.336 0.000 1.287 209 A HN 0.389 nan 8.150 nan 0.000 0.436 210 V N 2.330 122.118 119.914 -0.210 0.000 2.443 210 V HA 0.404 4.524 4.120 -0.000 0.000 0.293 210 V C -0.733 175.200 176.094 -0.267 0.000 1.021 210 V CA -0.133 62.053 62.300 -0.188 0.000 0.848 210 V CB 1.103 32.840 31.823 -0.142 0.000 0.998 210 V HN 0.727 nan 8.190 nan 0.000 0.424 211 L N 5.402 126.470 121.223 -0.258 0.000 2.296 211 L HA 0.512 4.852 4.340 -0.000 0.000 0.286 211 L C -0.683 176.065 176.870 -0.204 0.000 1.023 211 L CA -0.740 53.944 54.840 -0.259 0.000 0.812 211 L CB 1.665 43.580 42.059 -0.240 0.000 1.223 211 L HN 0.371 nan 8.230 nan 0.000 0.421 212 L N 4.888 125.963 121.223 -0.247 0.000 2.369 212 L HA 0.290 4.630 4.340 -0.000 0.000 0.279 212 L C -0.120 176.680 176.870 -0.115 0.000 1.108 212 L CA 0.270 54.932 54.840 -0.297 0.000 0.852 212 L CB 1.057 42.701 42.059 -0.691 0.000 1.169 212 L HN 0.224 nan 8.230 nan 0.000 0.452 213 V N 3.118 123.024 119.914 -0.014 0.000 2.448 213 V HA 0.654 4.774 4.120 -0.000 0.000 0.295 213 V C 0.367 176.550 176.094 0.147 0.000 1.025 213 V CA -0.612 61.767 62.300 0.131 0.000 0.859 213 V CB 1.875 33.804 31.823 0.176 0.000 0.988 213 V HN 0.901 nan 8.190 nan 0.000 0.431 214 T N 1.836 116.509 114.554 0.198 0.000 2.919 214 T HA 0.487 4.836 4.350 -0.000 0.000 0.282 214 T C 1.006 175.785 174.700 0.131 0.000 1.020 214 T CA -0.702 61.513 62.100 0.192 0.000 0.994 214 T CB 1.623 70.643 68.868 0.254 0.000 1.180 214 T HN 0.411 nan 8.240 nan 0.000 0.566 215 R N 0.051 120.614 120.500 0.105 0.000 2.096 215 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 215 R C 2.477 178.815 176.300 0.064 0.000 1.127 215 R CA 1.612 57.749 56.100 0.063 0.000 0.968 215 R CB -0.362 29.982 30.300 0.073 0.000 0.861 215 R HN 0.876 nan 8.270 nan 0.000 0.440 216 E N 0.257 120.505 120.200 0.080 0.000 2.070 216 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 216 E C 1.358 178.002 176.600 0.072 0.000 1.004 216 E CA 2.059 58.500 56.400 0.068 0.000 0.805 216 E CB 0.061 29.802 29.700 0.068 0.000 0.744 216 E HN 0.258 nan 8.360 nan 0.000 0.451 217 T N 0.894 115.516 114.554 0.114 0.000 2.759 217 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 217 T C 1.878 176.645 174.700 0.112 0.000 1.042 217 T CA 1.537 63.710 62.100 0.121 0.000 1.140 217 T CB -0.216 68.793 68.868 0.235 0.000 0.864 217 T HN 0.206 nan 8.240 nan 0.000 0.455 218 I N 1.270 121.949 120.570 0.182 0.000 2.353 218 I HA -0.054 4.116 4.170 -0.000 0.000 0.248 218 I C 2.913 179.072 176.117 0.070 0.000 1.119 218 I CA 0.867 62.269 61.300 0.169 0.000 1.417 218 I CB -0.459 37.426 38.000 -0.190 0.000 1.078 218 I HN 0.175 nan 8.210 nan 0.000 0.421 219 A N 1.047 123.891 122.820 0.040 0.000 1.902 219 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 219 A C 1.810 179.402 177.584 0.013 0.000 1.181 219 A CA 1.742 53.798 52.037 0.032 0.000 0.623 219 A CB -0.630 18.389 19.000 0.032 0.000 0.818 219 A HN 0.408 nan 8.150 nan 0.000 0.443 220 N N 0.813 119.509 118.700 -0.007 0.000 2.575 220 N HA 0.014 4.754 4.740 -0.000 0.000 0.192 220 N C -0.228 175.234 175.510 -0.080 0.000 1.200 220 N CA 0.260 53.288 53.050 -0.036 0.000 0.897 220 N CB -0.265 38.202 38.487 -0.033 0.000 0.990 220 N HN 0.480 nan 8.380 nan 0.000 0.449 221 N N 0.482 119.137 118.700 -0.075 0.000 2.362 221 N HA 0.207 4.947 4.740 -0.000 0.000 0.299 221 N C -0.376 175.143 175.510 0.016 0.000 1.170 221 N CA -0.511 52.486 53.050 -0.089 0.000 0.825 221 N CB 1.952 40.304 38.487 -0.224 0.000 1.299 221 N HN -0.115 nan 8.380 nan 0.000 0.502 222 K N 1.223 121.645 120.400 0.037 0.000 2.485 222 K HA -0.045 4.274 4.320 -0.000 0.000 0.277 222 K C 1.293 177.964 176.600 0.118 0.000 0.990 222 K CA 0.043 56.371 56.287 0.068 0.000 0.994 222 K CB 1.014 33.557 32.500 0.071 0.000 0.906 222 K HN 0.387 nan 8.250 nan 0.000 0.488 223 K N 2.470 122.930 120.400 0.099 0.000 2.103 223 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 223 K C 0.900 177.578 176.600 0.129 0.000 1.048 223 K CA 2.097 58.453 56.287 0.116 0.000 0.930 223 K CB -0.036 32.513 32.500 0.082 0.000 0.716 223 K HN 0.753 nan 8.250 nan 0.000 0.444 224 D N -0.779 119.683 120.400 0.104 0.000 2.349 224 D HA -0.026 4.614 4.640 -0.000 0.000 0.224 224 D C 1.155 177.526 176.300 0.118 0.000 1.029 224 D CA 0.450 54.500 54.000 0.083 0.000 0.879 224 D CB 0.167 41.000 40.800 0.055 0.000 0.906 224 D HN 0.142 nan 8.370 nan 0.000 0.528 225 A N -0.591 122.354 122.820 0.210 0.000 2.132 225 A HA 0.070 4.390 4.320 -0.000 0.000 0.213 225 A C 0.155 177.976 177.584 0.396 0.000 1.154 225 A CA 0.105 52.338 52.037 0.328 0.000 0.753 225 A CB -0.299 18.945 19.000 0.407 0.000 0.826 225 A HN 0.333 nan 8.150 nan 0.000 0.469 226 Y N 0.561 120.921 120.300 0.100 0.000 2.344 226 Y HA 0.477 5.026 4.550 -0.000 0.000 0.328 226 Y C -0.972 174.821 175.900 -0.178 0.000 1.067 226 Y CA -0.667 57.337 58.100 -0.159 0.000 1.247 226 Y CB 0.759 39.178 38.460 -0.069 0.000 1.113 226 Y HN 0.258 nan 8.280 nan 0.000 0.465 227 Q N 6.200 125.726 119.800 -0.457 0.000 2.340 227 Q HA 0.502 4.842 4.340 -0.000 0.000 0.268 227 Q C -1.039 174.595 176.000 -0.609 0.000 1.031 227 Q CA -1.155 54.410 55.803 -0.398 0.000 0.804 227 Q CB 2.678 31.262 28.738 -0.257 0.000 1.286 227 Q HN 0.530 nan 8.270 nan 0.000 0.448 228 I N 4.127 124.371 120.570 -0.543 0.000 2.322 228 I HA 0.029 4.199 4.170 -0.000 0.000 0.292 228 I C 0.860 176.704 176.117 -0.455 0.000 1.060 228 I CA 0.328 61.255 61.300 -0.622 0.000 1.309 228 I CB 0.326 37.794 38.000 -0.887 0.000 1.415 228 I HN 0.740 nan 8.210 nan 0.000 0.492 229 L N 5.431 126.370 121.223 -0.474 0.000 2.375 229 L HA 0.297 4.637 4.340 -0.000 0.000 0.215 229 L C 1.071 177.804 176.870 -0.228 0.000 1.108 229 L CA 0.177 54.789 54.840 -0.380 0.000 0.830 229 L CB -0.049 41.650 42.059 -0.601 0.000 0.959 229 L HN 0.754 nan 8.230 nan 0.000 0.457 230 G N -0.309 108.366 108.800 -0.210 0.000 2.523 230 G HA2 0.454 4.414 3.960 -0.000 0.000 0.291 230 G HA3 0.454 4.414 3.960 -0.000 0.000 0.291 230 G C -1.886 172.942 174.900 -0.119 0.000 1.450 230 G CA -0.303 44.736 45.100 -0.101 0.000 0.790 230 G HN -0.133 nan 8.290 nan 0.000 0.496 231 E N 0.671 120.833 120.200 -0.064 0.000 2.409 231 E HA 0.552 4.902 4.350 -0.000 0.000 0.259 231 E C -2.564 174.001 176.600 -0.059 0.000 0.932 231 E CA -1.393 54.982 56.400 -0.041 0.000 0.809 231 E CB 1.638 31.391 29.700 0.088 0.000 1.341 231 E HN 0.297 nan 8.360 nan 0.000 0.405 232 P HA 0.034 nan 4.420 nan 0.000 0.262 232 P C -0.771 176.522 177.300 -0.010 0.000 1.182 232 P CA 0.114 63.146 63.100 -0.114 0.000 0.761 232 P CB 0.555 32.112 31.700 -0.238 0.000 0.795 233 E N 3.121 123.326 120.200 0.010 0.000 2.105 233 E HA 0.202 4.552 4.350 -0.000 0.000 0.285 233 E C -0.007 176.628 176.600 0.058 0.000 1.055 233 E CA -0.174 56.246 56.400 0.034 0.000 0.843 233 E CB 0.544 30.259 29.700 0.026 0.000 1.067 233 E HN 0.402 nan 8.360 nan 0.000 0.398 234 L N 1.215 122.480 121.223 0.071 0.000 2.379 234 L HA 0.320 4.660 4.340 -0.000 0.000 0.269 234 L C 1.580 178.475 176.870 0.041 0.000 1.084 234 L CA -0.541 54.352 54.840 0.088 0.000 0.802 234 L CB 1.117 43.245 42.059 0.113 0.000 1.175 234 L HN 0.514 nan 8.230 nan 0.000 0.448 235 A N 1.978 124.814 122.820 0.026 0.000 1.902 235 A HA 0.136 4.455 4.320 -0.000 0.000 0.217 235 A C 0.966 178.524 177.584 -0.044 0.000 1.181 235 A CA 1.644 53.675 52.037 -0.010 0.000 0.623 235 A CB -0.442 18.545 19.000 -0.021 0.000 0.818 235 A HN 0.852 nan 8.150 nan 0.000 0.443 236 G N -4.653 104.111 108.800 -0.060 0.000 2.866 236 G HA2 0.473 4.433 3.960 -0.000 0.000 0.289 236 G HA3 0.473 4.433 3.960 -0.000 0.000 0.289 236 G C -0.558 174.285 174.900 -0.094 0.000 1.396 236 G CA -0.094 44.916 45.100 -0.149 0.000 0.848 236 G HN 0.438 nan 8.290 nan 0.000 0.515 237 H N -0.728 118.292 119.070 -0.083 0.000 2.677 237 H HA -0.170 4.386 4.556 -0.000 0.000 0.321 237 H C 1.602 176.895 175.328 -0.058 0.000 1.171 237 H CA 1.037 57.048 56.048 -0.062 0.000 1.139 237 H CB -1.402 28.340 29.762 -0.032 0.000 1.515 237 H HN 0.699 nan 8.280 nan 0.000 0.423 238 I N -2.026 118.518 120.570 -0.044 0.000 3.176 238 I HA -0.071 4.098 4.170 -0.000 0.000 0.275 238 I C 1.925 178.019 176.117 -0.039 0.000 1.298 238 I CA 1.549 62.833 61.300 -0.027 0.000 1.445 238 I CB 0.023 38.006 38.000 -0.027 0.000 1.075 238 I HN 0.255 nan 8.210 nan 0.000 0.482 239 T N -2.671 111.822 114.554 -0.102 0.000 3.105 239 T HA 0.143 4.493 4.350 -0.000 0.000 0.253 239 T C 0.747 175.546 174.700 0.164 0.000 1.047 239 T CA -0.118 61.948 62.100 -0.056 0.000 0.944 239 T CB -0.357 68.303 68.868 -0.346 0.000 1.016 239 T HN 0.299 nan 8.240 nan 0.000 0.544 240 T N 1.481 116.091 114.554 0.094 0.000 2.902 240 T HA 0.559 4.909 4.350 -0.000 0.000 0.280 240 T C -0.526 174.043 174.700 -0.218 0.000 0.992 240 T CA -0.439 61.670 62.100 0.015 0.000 1.015 240 T CB 1.345 70.238 68.868 0.042 0.000 1.044 240 T HN 0.329 nan 8.240 nan 0.000 0.520 241 S N 0.712 116.002 115.700 -0.683 0.000 2.500 241 S HA 0.734 5.204 4.470 -0.000 0.000 0.301 241 S C -0.239 174.152 174.600 -0.348 0.000 1.092 241 S CA -0.306 57.540 58.200 -0.591 0.000 1.030 241 S CB 1.115 63.700 63.200 -1.025 0.000 1.031 241 S HN 1.033 nan 8.310 nan 0.000 0.483 242 G N 4.810 113.516 108.800 -0.157 0.000 3.846 242 G HA2 0.393 4.353 3.960 -0.000 0.000 0.281 242 G HA3 0.393 4.353 3.960 -0.000 0.000 0.281 242 G C -3.166 171.672 174.900 -0.105 0.000 1.384 242 G CA -0.818 44.239 45.100 -0.071 0.000 0.641 242 G HN 0.552 nan 8.290 nan 0.000 0.458 243 P HA 0.112 nan 4.420 nan 0.000 0.277 243 P C -0.674 176.498 177.300 -0.214 0.000 1.276 243 P CA -0.281 62.696 63.100 -0.205 0.000 0.788 243 P CB 0.939 32.452 31.700 -0.313 0.000 1.114 244 H N -0.531 118.320 119.070 -0.364 0.000 2.640 244 H HA 0.319 4.875 4.556 -0.000 0.000 0.297 244 H C -0.748 174.340 175.328 -0.401 0.000 1.073 244 H CA -0.404 55.429 56.048 -0.359 0.000 1.305 244 H CB 0.197 29.761 29.762 -0.330 0.000 1.404 244 H HN 0.207 nan 8.280 nan 0.000 0.459 245 T N 6.034 120.406 114.554 -0.303 0.000 2.856 245 T HA 0.286 4.636 4.350 -0.000 0.000 0.283 245 T C -0.316 174.036 174.700 -0.579 0.000 1.008 245 T CA -0.790 60.946 62.100 -0.607 0.000 0.997 245 T CB 1.581 70.016 68.868 -0.721 0.000 0.992 245 T HN 0.585 nan 8.240 nan 0.000 0.454 246 R N 2.212 122.296 120.500 -0.694 0.000 2.437 246 R HA 0.507 4.847 4.340 -0.000 0.000 0.310 246 R C -1.502 174.472 176.300 -0.543 0.000 0.955 246 R CA -0.630 55.188 56.100 -0.470 0.000 0.851 246 R CB 0.647 30.745 30.300 -0.337 0.000 1.161 246 R HN 0.480 nan 8.270 nan 0.000 0.446 247 F N 2.028 121.893 119.950 -0.142 0.000 2.410 247 F HA 0.336 4.863 4.527 -0.000 0.000 0.349 247 F C 0.200 176.024 175.800 0.039 0.000 1.117 247 F CA -0.251 57.723 58.000 -0.042 0.000 1.104 247 F CB 2.298 41.275 39.000 -0.039 0.000 1.122 247 F HN 0.305 nan 8.300 nan 0.000 0.483 248 T N 3.200 117.919 114.554 0.274 0.000 2.930 248 T HA 0.234 4.584 4.350 -0.000 0.000 0.313 248 T C -0.627 174.222 174.700 0.248 0.000 1.019 248 T CA -0.837 61.383 62.100 0.201 0.000 1.004 248 T CB 1.007 69.944 68.868 0.114 0.000 0.987 248 T HN 0.526 nan 8.240 nan 0.000 0.456 249 E N 1.055 121.378 120.200 0.204 0.000 2.297 249 E HA -0.203 4.147 4.350 -0.000 0.000 0.228 249 E C -0.673 176.063 176.600 0.226 0.000 1.213 249 E CA 0.360 56.849 56.400 0.148 0.000 0.712 249 E CB -1.190 28.599 29.700 0.148 0.000 1.202 249 E HN 0.733 nan 8.360 nan 0.000 0.376 250 F N 1.837 121.871 119.950 0.140 0.000 2.421 250 F HA 0.163 4.690 4.527 -0.000 0.000 0.358 250 F C 0.948 176.817 175.800 0.114 0.000 1.115 250 F CA -0.441 57.696 58.000 0.227 0.000 1.160 250 F CB 0.489 39.737 39.000 0.414 0.000 1.123 250 F HN -0.011 nan 8.300 nan 0.000 0.508 251 H N 5.637 124.547 119.070 -0.267 0.000 2.527 251 H HA 0.453 5.008 4.556 -0.000 0.000 0.321 251 H C -0.695 174.549 175.328 -0.139 0.000 1.087 251 H CA -0.440 55.536 56.048 -0.121 0.000 1.337 251 H CB 1.627 31.320 29.762 -0.114 0.000 1.440 251 H HN 0.325 nan 8.280 nan 0.000 0.490 252 V N 6.129 126.135 119.914 0.154 0.000 2.588 252 V HA 0.199 4.319 4.120 -0.000 0.000 0.304 252 V C -2.130 174.108 176.094 0.239 0.000 1.042 252 V CA -1.991 60.417 62.300 0.181 0.000 0.877 252 V CB 2.121 34.068 31.823 0.206 0.000 0.996 252 V HN 0.677 nan 8.190 nan 0.000 0.425 253 P HA 0.011 nan 4.420 nan 0.000 0.266 253 P C 0.447 177.932 177.300 0.308 0.000 1.195 253 P CA 0.301 63.536 63.100 0.224 0.000 0.768 253 P CB 0.637 32.439 31.700 0.170 0.000 0.838 254 H N 3.325 122.567 119.070 0.286 0.000 2.422 254 H HA -0.192 4.364 4.556 -0.000 0.000 0.298 254 H C 1.723 177.187 175.328 0.228 0.000 1.098 254 H CA 2.345 58.619 56.048 0.376 0.000 1.315 254 H CB -0.024 29.908 29.762 0.283 0.000 1.382 254 H HN 0.551 nan 8.280 nan 0.000 0.523 255 E N -0.679 119.619 120.200 0.163 0.000 2.338 255 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 255 E C 1.311 177.950 176.600 0.065 0.000 1.007 255 E CA 1.195 57.652 56.400 0.095 0.000 0.849 255 E CB -0.222 29.566 29.700 0.145 0.000 0.774 255 E HN 0.630 nan 8.360 nan 0.000 0.506 256 N N 0.307 119.037 118.700 0.051 0.000 2.336 256 N HA 0.055 4.795 4.740 -0.000 0.000 0.189 256 N C -0.256 175.145 175.510 -0.181 0.000 1.113 256 N CA -0.371 52.670 53.050 -0.016 0.000 0.858 256 N CB 0.271 38.784 38.487 0.044 0.000 0.970 256 N HN 0.112 nan 8.380 nan 0.000 0.471 257 L N 2.121 123.199 121.223 -0.241 0.000 2.418 257 L HA 0.021 4.361 4.340 -0.000 0.000 0.274 257 L C 1.081 177.787 176.870 -0.273 0.000 1.135 257 L CA 0.175 54.795 54.840 -0.368 0.000 0.870 257 L CB 0.739 42.488 42.059 -0.517 0.000 1.154 257 L HN 0.011 nan 8.230 nan 0.000 0.462 258 L N 6.286 127.354 121.223 -0.259 0.000 2.093 258 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 258 L C 0.709 177.490 176.870 -0.147 0.000 1.085 258 L CA 1.478 56.199 54.840 -0.198 0.000 0.755 258 L CB -0.195 41.745 42.059 -0.199 0.000 0.904 258 L HN 0.920 nan 8.230 nan 0.000 0.435 259 C N -5.354 113.853 119.300 -0.154 0.000 3.284 259 C HA 0.501 4.961 4.460 -0.000 0.000 0.348 259 C C 0.199 175.128 174.990 -0.102 0.000 1.448 259 C CA -0.774 58.181 59.018 -0.105 0.000 1.223 259 C CB 0.536 28.225 27.740 -0.085 0.000 1.588 259 C HN 0.159 nan 8.230 nan 0.000 0.451 260 T N 3.253 117.778 114.554 -0.047 0.000 2.867 260 T HA 0.350 4.700 4.350 -0.000 0.000 0.297 260 T C -2.395 172.285 174.700 -0.032 0.000 0.989 260 T CA 0.440 62.534 62.100 -0.009 0.000 1.159 260 T CB -0.222 68.660 68.868 0.024 0.000 0.928 260 T HN 0.692 nan 8.240 nan 0.000 0.538 261 P HA 0.307 nan 4.420 nan 0.000 0.264 261 P C 0.738 178.035 177.300 -0.005 0.000 1.179 261 P CA 0.910 63.989 63.100 -0.034 0.000 0.763 261 P CB 0.251 31.959 31.700 0.012 0.000 0.806 262 G N 0.777 109.568 108.800 -0.015 0.000 2.265 262 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.246 262 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.246 262 G C 0.454 175.335 174.900 -0.032 0.000 1.299 262 G CA -0.411 44.679 45.100 -0.016 0.000 1.117 262 G HN 0.397 nan 8.290 nan 0.000 0.485 263 L N 0.058 121.259 121.223 -0.038 0.000 2.187 263 L HA -0.056 4.284 4.340 -0.000 0.000 0.213 263 L C 2.908 179.744 176.870 -0.057 0.000 1.100 263 L CA 1.924 56.733 54.840 -0.052 0.000 0.765 263 L CB -0.406 41.624 42.059 -0.048 0.000 0.904 263 L HN 0.493 nan 8.230 nan 0.000 0.437 264 K N 0.051 120.419 120.400 -0.053 0.000 2.062 264 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 264 K C 2.231 178.792 176.600 -0.066 0.000 1.051 264 K CA 1.191 57.439 56.287 -0.066 0.000 0.941 264 K CB -0.304 32.161 32.500 -0.058 0.000 0.719 264 K HN 0.237 nan 8.250 nan 0.000 0.440 265 A N 0.908 123.697 122.820 -0.050 0.000 1.858 265 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 265 A C 2.187 179.776 177.584 0.008 0.000 1.190 265 A CA 1.566 53.580 52.037 -0.039 0.000 0.617 265 A CB -0.651 18.324 19.000 -0.041 0.000 0.827 265 A HN 0.259 nan 8.150 nan 0.000 0.443 266 Q N -0.045 119.773 119.800 0.029 0.000 2.077 266 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 266 Q C 2.132 178.160 176.000 0.046 0.000 0.989 266 Q CA 2.406 58.256 55.803 0.079 0.000 0.853 266 Q CB -1.065 27.648 28.738 -0.042 0.000 0.907 266 Q HN 0.574 nan 8.270 nan 0.000 0.418 267 G N 0.899 109.672 108.800 -0.046 0.000 2.442 267 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 267 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 267 G C 1.658 176.467 174.900 -0.152 0.000 1.141 267 G CA 0.817 45.839 45.100 -0.130 0.000 0.763 267 G HN 0.370 nan 8.290 nan 0.000 0.554 268 L N 0.183 121.340 121.223 -0.109 0.000 2.046 268 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 268 L C 3.005 179.828 176.870 -0.079 0.000 1.077 268 L CA 0.575 55.346 54.840 -0.115 0.000 0.747 268 L CB -0.459 41.539 42.059 -0.103 0.000 0.896 268 L HN 0.116 nan 8.230 nan 0.000 0.432 269 V N -0.156 119.755 119.914 -0.005 0.000 2.307 269 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 269 V C 2.449 178.634 176.094 0.152 0.000 1.045 269 V CA 1.996 64.326 62.300 0.051 0.000 1.024 269 V CB -0.510 31.390 31.823 0.129 0.000 0.651 269 V HN 0.510 nan 8.190 nan 0.000 0.449 270 E N 0.179 120.478 120.200 0.165 0.000 2.085 270 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 270 E C 2.180 178.912 176.600 0.219 0.000 0.994 270 E CA 1.984 58.518 56.400 0.223 0.000 0.801 270 E CB -0.117 29.695 29.700 0.188 0.000 0.743 270 E HN 0.640 nan 8.360 nan 0.000 0.453 271 T N 0.623 115.180 114.554 0.004 0.000 2.737 271 T HA -0.068 4.282 4.350 -0.000 0.000 0.265 271 T C 1.900 176.638 174.700 0.064 0.000 1.038 271 T CA 1.179 63.249 62.100 -0.050 0.000 1.144 271 T CB -0.345 68.299 68.868 -0.372 0.000 0.866 271 T HN 0.346 nan 8.240 nan 0.000 0.434 272 A N 1.040 123.836 122.820 -0.041 0.000 1.873 272 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 272 A C 2.030 179.541 177.584 -0.123 0.000 1.193 272 A CA 1.537 53.494 52.037 -0.133 0.000 0.629 272 A CB -1.176 17.660 19.000 -0.273 0.000 0.826 272 A HN 0.515 nan 8.150 nan 0.000 0.447 273 F N -0.279 119.645 119.950 -0.043 0.000 2.293 273 F HA -0.028 4.499 4.527 -0.000 0.000 0.300 273 F C 2.660 178.458 175.800 -0.003 0.000 1.086 273 F CA 0.643 58.608 58.000 -0.060 0.000 1.375 273 F CB 0.033 38.974 39.000 -0.099 0.000 1.045 273 F HN 0.294 nan 8.300 nan 0.000 0.516 274 A N -0.181 122.797 122.820 0.264 0.000 1.929 274 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 274 A C 2.165 179.830 177.584 0.136 0.000 1.176 274 A CA 1.102 53.266 52.037 0.212 0.000 0.628 274 A CB -0.548 18.656 19.000 0.341 0.000 0.816 274 A HN 0.302 nan 8.150 nan 0.000 0.444 275 M N 0.514 120.196 119.600 0.136 0.000 2.117 275 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 275 M C 2.525 178.837 176.300 0.019 0.000 1.065 275 M CA 1.923 57.266 55.300 0.070 0.000 1.114 275 M CB -0.457 32.170 32.600 0.045 0.000 1.361 275 M HN 0.639 nan 8.290 nan 0.000 0.408 276 S N 0.648 116.342 115.700 -0.009 0.000 2.402 276 S HA -0.059 4.411 4.470 -0.000 0.000 0.229 276 S C 2.093 176.674 174.600 -0.031 0.000 1.021 276 S CA 0.952 59.123 58.200 -0.048 0.000 0.974 276 S CB -0.624 62.510 63.200 -0.110 0.000 0.800 276 S HN 0.440 nan 8.310 nan 0.000 0.484 277 A N 2.214 125.044 122.820 0.016 0.000 1.908 277 A HA 0.193 4.513 4.320 -0.000 0.000 0.218 277 A C 2.556 180.144 177.584 0.006 0.000 1.181 277 A CA 1.980 54.023 52.037 0.010 0.000 0.627 277 A CB -1.509 17.511 19.000 0.033 0.000 0.818 277 A HN 0.919 nan 8.150 nan 0.000 0.445 278 A N -0.619 122.210 122.820 0.015 0.000 1.897 278 A HA 0.071 4.391 4.320 -0.000 0.000 0.215 278 A C 2.136 179.731 177.584 0.018 0.000 1.181 278 A CA 1.364 53.415 52.037 0.024 0.000 0.620 278 A CB -0.486 18.534 19.000 0.033 0.000 0.821 278 A HN 0.459 nan 8.150 nan 0.000 0.443 279 L N -0.711 120.512 121.223 -0.001 0.000 2.240 279 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 279 L C 2.386 179.216 176.870 -0.066 0.000 1.106 279 L CA 0.378 55.211 54.840 -0.013 0.000 0.793 279 L CB -0.358 41.691 42.059 -0.017 0.000 0.927 279 L HN 0.210 nan 8.230 nan 0.000 0.446 280 V N 0.615 120.480 119.914 -0.082 0.000 2.453 280 V HA -0.276 3.844 4.120 -0.000 0.000 0.252 280 V C 2.620 178.608 176.094 -0.176 0.000 1.068 280 V CA 2.058 64.285 62.300 -0.122 0.000 1.070 280 V CB -1.132 30.663 31.823 -0.047 0.000 0.664 280 V HN 0.607 nan 8.190 nan 0.000 0.461 281 G N -0.464 108.283 108.800 -0.089 0.000 2.469 281 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 281 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 281 G C 1.730 176.564 174.900 -0.109 0.000 1.136 281 G CA 1.145 46.199 45.100 -0.076 0.000 0.759 281 G HN 0.648 nan 8.290 nan 0.000 0.562 282 A N 0.318 123.087 122.820 -0.085 0.000 1.930 282 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 282 A C 2.460 179.942 177.584 -0.171 0.000 1.175 282 A CA 1.680 53.687 52.037 -0.050 0.000 0.627 282 A CB -0.291 18.730 19.000 0.035 0.000 0.815 282 A HN 0.399 nan 8.150 nan 0.000 0.443 283 M N -0.399 118.954 119.600 -0.412 0.000 2.086 283 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 283 M C 2.550 178.468 176.300 -0.636 0.000 1.067 283 M CA 1.538 56.353 55.300 -0.808 0.000 1.116 283 M CB -0.435 31.432 32.600 -1.221 0.000 1.348 283 M HN 0.438 nan 8.290 nan 0.000 0.407 284 A N 0.675 123.055 122.820 -0.733 0.000 1.877 284 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 284 A C 2.108 179.622 177.584 -0.117 0.000 1.186 284 A CA 1.616 53.347 52.037 -0.511 0.000 0.620 284 A CB -1.013 17.782 19.000 -0.343 0.000 0.822 284 A HN 0.458 nan 8.150 nan 0.000 0.443 285 I N -0.169 120.341 120.570 -0.100 0.000 2.208 285 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 285 I C 2.691 178.835 176.117 0.045 0.000 1.097 285 I CA 1.179 62.466 61.300 -0.022 0.000 1.363 285 I CB -0.620 37.362 38.000 -0.030 0.000 1.051 285 I HN 0.399 nan 8.210 nan 0.000 0.413 286 G N 0.007 108.846 108.800 0.065 0.000 2.446 286 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 286 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 286 G C 1.670 176.687 174.900 0.195 0.000 1.168 286 G CA 1.501 46.700 45.100 0.166 0.000 0.771 286 G HN 0.285 nan 8.290 nan 0.000 0.551 287 T N 1.523 116.216 114.554 0.233 0.000 2.708 287 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 287 T C 2.815 177.627 174.700 0.188 0.000 1.037 287 T CA 1.618 63.875 62.100 0.261 0.000 1.146 287 T CB -0.383 68.745 68.868 0.434 0.000 0.865 287 T HN 0.367 nan 8.240 nan 0.000 0.435 288 A N 1.368 124.289 122.820 0.167 0.000 1.930 288 A HA -0.044 4.275 4.320 -0.000 0.000 0.217 288 A C 2.276 179.965 177.584 0.175 0.000 1.175 288 A CA 1.543 53.670 52.037 0.149 0.000 0.627 288 A CB -0.529 18.527 19.000 0.094 0.000 0.815 288 A HN 0.401 nan 8.150 nan 0.000 0.443 289 R N -0.305 120.289 120.500 0.158 0.000 2.081 289 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 289 R C 2.283 178.712 176.300 0.214 0.000 1.131 289 R CA 1.358 57.585 56.100 0.212 0.000 0.960 289 R CB -0.394 30.000 30.300 0.157 0.000 0.856 289 R HN 0.435 nan 8.270 nan 0.000 0.436 290 A N 0.786 123.689 122.820 0.138 0.000 1.908 290 A HA -0.163 4.156 4.320 -0.000 0.000 0.218 290 A C 2.342 179.941 177.584 0.025 0.000 1.181 290 A CA 1.849 53.922 52.037 0.060 0.000 0.627 290 A CB -0.795 18.223 19.000 0.029 0.000 0.818 290 A HN 0.550 nan 8.150 nan 0.000 0.445 291 A N -0.927 121.955 122.820 0.102 0.000 1.858 291 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 291 A C 2.080 179.855 177.584 0.318 0.000 1.190 291 A CA 1.667 53.829 52.037 0.207 0.000 0.617 291 A CB -0.849 18.339 19.000 0.314 0.000 0.827 291 A HN 0.837 nan 8.150 nan 0.000 0.443 292 F N 1.144 121.185 119.950 0.151 0.000 2.095 292 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 292 F C 2.091 177.961 175.800 0.116 0.000 1.104 292 F CA 2.329 60.405 58.000 0.126 0.000 1.232 292 F CB -0.466 38.581 39.000 0.078 0.000 0.987 292 F HN 0.380 nan 8.300 nan 0.000 0.475 293 E N -0.157 119.951 120.200 -0.154 0.000 2.110 293 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 293 E C 2.143 178.642 176.600 -0.169 0.000 0.988 293 E CA 1.357 57.594 56.400 -0.271 0.000 0.804 293 E CB -0.291 29.383 29.700 -0.045 0.000 0.745 293 E HN 0.644 nan 8.360 nan 0.000 0.458 294 E N 0.518 120.676 120.200 -0.070 0.000 2.106 294 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 294 E C 1.952 178.634 176.600 0.137 0.000 0.984 294 E CA 0.970 57.353 56.400 -0.028 0.000 0.806 294 E CB -0.008 29.547 29.700 -0.242 0.000 0.750 294 E HN 0.216 nan 8.360 nan 0.000 0.458 295 A N 0.771 123.721 122.820 0.216 0.000 1.929 295 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 295 A C 2.101 179.725 177.584 0.067 0.000 1.176 295 A CA 1.030 53.186 52.037 0.199 0.000 0.628 295 A CB -0.572 18.523 19.000 0.158 0.000 0.816 295 A HN 0.383 nan 8.150 nan 0.000 0.444 296 L N 0.022 121.143 121.223 -0.171 0.000 2.017 296 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 296 L C 2.354 179.162 176.870 -0.103 0.000 1.073 296 L CA 1.970 56.670 54.840 -0.233 0.000 0.745 296 L CB -0.518 41.191 42.059 -0.584 0.000 0.894 296 L HN 0.143 nan 8.230 nan 0.000 0.432 297 V N -0.524 119.344 119.914 -0.076 0.000 2.343 297 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 297 V C 2.312 178.409 176.094 0.004 0.000 1.051 297 V CA 2.181 64.457 62.300 -0.040 0.000 1.036 297 V CB -0.900 30.912 31.823 -0.020 0.000 0.654 297 V HN 0.552 nan 8.190 nan 0.000 0.451 298 F N 1.518 121.434 119.950 -0.056 0.000 2.102 298 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 298 F C 2.294 178.065 175.800 -0.047 0.000 1.105 298 F CA 1.555 59.538 58.000 -0.028 0.000 1.239 298 F CB -0.481 38.539 39.000 0.033 0.000 0.991 298 F HN 0.071 nan 8.300 nan 0.000 0.474 299 A N -0.098 122.777 122.820 0.091 0.000 2.070 299 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 299 A C 1.971 179.474 177.584 -0.135 0.000 1.159 299 A CA 1.432 53.466 52.037 -0.004 0.000 0.656 299 A CB -0.568 18.485 19.000 0.087 0.000 0.800 299 A HN 0.482 nan 8.150 nan 0.000 0.453 300 K N -0.287 119.993 120.400 -0.201 0.000 2.358 300 K HA 0.080 4.400 4.320 -0.000 0.000 0.197 300 K C 0.975 177.144 176.600 -0.717 0.000 1.025 300 K CA 0.827 56.923 56.287 -0.319 0.000 1.104 300 K CB 0.334 32.721 32.500 -0.187 0.000 0.855 300 K HN 0.578 nan 8.250 nan 0.000 0.531 301 S N -1.015 114.309 115.700 -0.627 0.000 2.728 301 S HA 0.110 4.580 4.470 -0.000 0.000 0.257 301 S C -0.038 174.319 174.600 -0.404 0.000 1.060 301 S CA -0.508 57.324 58.200 -0.613 0.000 1.126 301 S CB 0.579 63.596 63.200 -0.306 0.000 1.099 301 S HN 0.040 nan 8.310 nan 0.000 0.617 302 D N 1.905 122.045 120.400 -0.433 0.000 2.505 302 D HA 0.369 5.009 4.640 -0.000 0.000 0.249 302 D C 0.369 176.584 176.300 -0.142 0.000 1.082 302 D CA -0.008 53.760 54.000 -0.388 0.000 0.839 302 D CB 2.484 42.670 40.800 -1.024 0.000 1.317 302 D HN 0.216 nan 8.370 nan 0.000 0.497 303 T N 0.055 114.594 114.554 -0.025 0.000 3.040 303 T HA 0.069 4.419 4.350 -0.000 0.000 0.250 303 T C 0.865 175.590 174.700 0.041 0.000 1.058 303 T CA -0.237 61.879 62.100 0.027 0.000 0.988 303 T CB 0.178 69.048 68.868 0.004 0.000 0.993 303 T HN 0.478 nan 8.240 nan 0.000 0.519 304 R N 1.062 121.570 120.500 0.014 0.000 3.333 304 R HA -0.163 4.177 4.340 -0.000 0.000 0.256 304 R C 1.194 177.525 176.300 0.052 0.000 1.010 304 R CA 0.726 56.861 56.100 0.059 0.000 0.680 304 R CB -2.642 27.720 30.300 0.104 0.000 1.102 304 R HN 1.139 nan 8.270 nan 0.000 0.440 305 G N -1.930 106.891 108.800 0.035 0.000 2.160 305 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 305 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 305 G C 0.531 175.447 174.900 0.026 0.000 1.008 305 G CA 0.806 45.922 45.100 0.027 0.000 0.724 305 G HN 0.889 nan 8.290 nan 0.000 0.514 306 G N -1.180 107.641 108.800 0.034 0.000 2.990 306 G HA2 0.717 4.677 3.960 -0.000 0.000 0.208 306 G HA3 0.717 4.677 3.960 -0.000 0.000 0.208 306 G C 1.077 175.982 174.900 0.007 0.000 1.334 306 G CA 0.752 45.876 45.100 0.040 0.000 1.024 306 G HN 1.199 nan 8.290 nan 0.000 0.574 307 S N -1.662 114.038 115.700 0.000 0.000 2.524 307 S HA 0.260 4.730 4.470 -0.000 0.000 0.215 307 S C 0.494 175.035 174.600 -0.098 0.000 0.986 307 S CA 0.149 58.325 58.200 -0.040 0.000 0.911 307 S CB -0.229 62.955 63.200 -0.027 0.000 0.805 307 S HN 0.778 nan 8.310 nan 0.000 0.501 308 K N 0.086 120.420 120.400 -0.110 0.000 2.551 308 K HA 0.396 4.716 4.320 -0.000 0.000 0.269 308 K C -1.484 175.005 176.600 -0.185 0.000 0.949 308 K CA -0.899 55.259 56.287 -0.216 0.000 0.849 308 K CB 0.549 32.928 32.500 -0.202 0.000 1.411 308 K HN -0.016 nan 8.250 nan 0.000 0.432 309 H N 2.167 121.160 119.070 -0.128 0.000 2.972 309 H HA -0.002 4.553 4.556 -0.000 0.000 0.343 309 H C 1.385 176.607 175.328 -0.177 0.000 1.054 309 H CA 0.539 56.504 56.048 -0.137 0.000 1.412 309 H CB 0.515 30.205 29.762 -0.120 0.000 1.385 309 H HN 0.750 nan 8.280 nan 0.000 0.600 310 I N 0.276 120.865 120.570 0.032 0.000 2.567 310 I HA -0.138 4.032 4.170 -0.000 0.000 0.257 310 I C 2.222 178.363 176.117 0.039 0.000 1.184 310 I CA 1.062 62.415 61.300 0.088 0.000 1.451 310 I CB -0.260 37.871 38.000 0.219 0.000 1.089 310 I HN 0.444 nan 8.210 nan 0.000 0.441 311 I N 1.501 122.081 120.570 0.017 0.000 2.530 311 I HA -0.259 3.911 4.170 -0.000 0.000 0.257 311 I C 2.134 178.239 176.117 -0.020 0.000 1.179 311 I CA 1.412 62.725 61.300 0.021 0.000 1.440 311 I CB -0.035 37.975 38.000 0.017 0.000 1.087 311 I HN 0.252 nan 8.210 nan 0.000 0.440 312 E N -0.138 119.988 120.200 -0.124 0.000 2.481 312 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 312 E C 0.027 176.514 176.600 -0.188 0.000 1.047 312 E CA 0.259 56.558 56.400 -0.168 0.000 0.867 312 E CB 0.018 29.584 29.700 -0.223 0.000 0.858 312 E HN 0.457 nan 8.360 nan 0.000 0.513 313 H N 0.622 119.709 119.070 0.028 0.000 2.620 313 H HA 0.134 4.690 4.556 -0.000 0.000 0.313 313 H C 0.823 176.166 175.328 0.025 0.000 1.075 313 H CA -0.018 56.043 56.048 0.023 0.000 1.397 313 H CB 1.262 31.038 29.762 0.024 0.000 1.446 313 H HN 0.191 nan 8.280 nan 0.000 0.493 314 Q N 1.881 121.763 119.800 0.137 0.000 2.112 314 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 314 Q C 1.777 177.824 176.000 0.077 0.000 0.987 314 Q CA 1.773 57.625 55.803 0.082 0.000 0.858 314 Q CB 0.149 28.922 28.738 0.059 0.000 0.905 314 Q HN 0.533 nan 8.270 nan 0.000 0.420 315 S N 0.105 115.852 115.700 0.079 0.000 2.383 315 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 315 S C 2.113 176.753 174.600 0.067 0.000 1.026 315 S CA 1.015 59.248 58.200 0.055 0.000 0.981 315 S CB -0.119 63.100 63.200 0.032 0.000 0.818 315 S HN 0.146 nan 8.310 nan 0.000 0.472 316 V N 2.047 122.021 119.914 0.099 0.000 2.270 316 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 316 V C 2.707 178.858 176.094 0.096 0.000 1.043 316 V CA 1.639 64.002 62.300 0.104 0.000 1.014 316 V CB -1.275 30.638 31.823 0.151 0.000 0.645 316 V HN 0.527 nan 8.190 nan 0.000 0.447 317 A N -0.032 122.844 122.820 0.093 0.000 1.917 317 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 317 A C 1.974 179.605 177.584 0.078 0.000 1.182 317 A CA 2.250 54.337 52.037 0.083 0.000 0.633 317 A CB -0.736 18.304 19.000 0.066 0.000 0.819 317 A HN 0.553 nan 8.150 nan 0.000 0.448 318 D N -0.239 120.200 120.400 0.065 0.000 2.123 318 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 318 D C 1.928 178.262 176.300 0.057 0.000 0.992 318 D CA 1.144 55.175 54.000 0.052 0.000 0.833 318 D CB -0.138 40.687 40.800 0.041 0.000 0.954 318 D HN 0.259 nan 8.370 nan 0.000 0.455 319 K N 0.430 120.868 120.400 0.064 0.000 2.026 319 K HA -0.030 4.290 4.320 -0.000 0.000 0.208 319 K C 2.412 179.077 176.600 0.108 0.000 1.048 319 K CA 0.388 56.716 56.287 0.069 0.000 0.929 319 K CB -0.670 31.866 32.500 0.059 0.000 0.713 319 K HN 0.261 nan 8.250 nan 0.000 0.439 320 L N 0.529 121.840 121.223 0.147 0.000 2.093 320 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 320 L C 2.428 179.426 176.870 0.213 0.000 1.085 320 L CA 0.780 55.777 54.840 0.261 0.000 0.755 320 L CB -0.410 41.805 42.059 0.259 0.000 0.904 320 L HN 0.067 nan 8.230 nan 0.000 0.435 321 I N -0.045 120.596 120.570 0.119 0.000 2.163 321 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 321 I C 2.111 178.232 176.117 0.007 0.000 1.085 321 I CA 1.308 62.639 61.300 0.053 0.000 1.347 321 I CB -0.373 37.652 38.000 0.042 0.000 1.044 321 I HN 0.273 nan 8.210 nan 0.000 0.408 322 D N 0.425 120.838 120.400 0.023 0.000 2.117 322 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 322 D C 2.293 178.577 176.300 -0.026 0.000 0.987 322 D CA 1.242 55.244 54.000 0.003 0.000 0.829 322 D CB -0.502 40.309 40.800 0.018 0.000 0.961 322 D HN 0.379 nan 8.370 nan 0.000 0.460 323 C N 0.712 120.006 119.300 -0.009 0.000 2.413 323 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 323 C C 2.557 177.370 174.990 -0.296 0.000 1.228 323 C CA 0.547 59.526 59.018 -0.064 0.000 1.731 323 C CB -0.635 27.181 27.740 0.126 0.000 2.042 323 C HN 0.241 nan 8.230 nan 0.000 0.468 324 K N 1.337 121.469 120.400 -0.447 0.000 2.032 324 K HA -0.083 4.236 4.320 -0.000 0.000 0.209 324 K C 1.612 178.035 176.600 -0.295 0.000 1.048 324 K CA 1.672 57.608 56.287 -0.585 0.000 0.927 324 K CB -0.766 31.501 32.500 -0.388 0.000 0.712 324 K HN 0.524 nan 8.250 nan 0.000 0.441 325 I N 0.340 120.811 120.570 -0.165 0.000 2.163 325 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 325 I C 2.420 178.501 176.117 -0.062 0.000 1.085 325 I CA 1.372 62.617 61.300 -0.092 0.000 1.347 325 I CB -0.213 37.761 38.000 -0.043 0.000 1.044 325 I HN 0.188 nan 8.210 nan 0.000 0.408 326 R N 0.394 120.857 120.500 -0.063 0.000 2.091 326 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 326 R C 2.295 178.563 176.300 -0.053 0.000 1.136 326 R CA 1.312 57.393 56.100 -0.032 0.000 0.959 326 R CB -0.366 29.886 30.300 -0.079 0.000 0.856 326 R HN 0.367 nan 8.270 nan 0.000 0.437 327 L N -0.003 121.141 121.223 -0.133 0.000 2.072 327 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 327 L C 2.475 179.257 176.870 -0.146 0.000 1.079 327 L CA 0.958 55.712 54.840 -0.144 0.000 0.752 327 L CB -0.288 41.640 42.059 -0.219 0.000 0.906 327 L HN 0.096 nan 8.230 nan 0.000 0.436 328 E N 0.377 120.479 120.200 -0.163 0.000 2.031 328 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 328 E C 2.169 178.683 176.600 -0.143 0.000 0.994 328 E CA 2.211 58.506 56.400 -0.174 0.000 0.800 328 E CB -0.270 29.329 29.700 -0.168 0.000 0.752 328 E HN 0.490 nan 8.360 nan 0.000 0.447 329 T N -2.007 112.509 114.554 -0.063 0.000 2.759 329 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 329 T C 2.195 176.921 174.700 0.043 0.000 1.042 329 T CA 1.563 63.652 62.100 -0.019 0.000 1.140 329 T CB -0.562 68.332 68.868 0.043 0.000 0.864 329 T HN 0.000 nan 8.240 nan 0.000 0.455 330 S N 1.003 116.774 115.700 0.119 0.000 2.355 330 S HA -0.004 4.466 4.470 -0.000 0.000 0.222 330 S C 2.163 176.743 174.600 -0.032 0.000 1.031 330 S CA 1.018 59.293 58.200 0.125 0.000 0.993 330 S CB -0.370 62.855 63.200 0.042 0.000 0.859 330 S HN 0.520 nan 8.310 nan 0.000 0.453 331 R N 0.461 120.861 120.500 -0.167 0.000 2.073 331 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 331 R C 1.996 178.009 176.300 -0.478 0.000 1.134 331 R CA 1.054 56.922 56.100 -0.387 0.000 0.952 331 R CB -0.398 29.569 30.300 -0.554 0.000 0.850 331 R HN 0.235 nan 8.270 nan 0.000 0.433 332 L N 0.838 121.864 121.223 -0.328 0.000 2.013 332 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 332 L C 2.290 179.157 176.870 -0.004 0.000 1.073 332 L CA 1.440 56.191 54.840 -0.148 0.000 0.753 332 L CB -1.040 40.952 42.059 -0.113 0.000 0.890 332 L HN 0.268 nan 8.230 nan 0.000 0.432 333 L N -1.331 119.881 121.223 -0.019 0.000 2.056 333 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 333 L C 2.435 179.354 176.870 0.081 0.000 1.078 333 L CA 1.325 56.181 54.840 0.027 0.000 0.749 333 L CB -0.476 41.591 42.059 0.014 0.000 0.901 333 L HN 0.020 nan 8.230 nan 0.000 0.433 334 V N -1.466 118.501 119.914 0.089 0.000 2.295 334 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 334 V C 2.240 178.525 176.094 0.317 0.000 1.049 334 V CA 1.912 64.316 62.300 0.173 0.000 1.024 334 V CB -0.860 31.071 31.823 0.181 0.000 0.648 334 V HN 0.531 nan 8.190 nan 0.000 0.447 335 W N 0.519 121.842 121.300 0.039 0.000 2.388 335 W HA -0.081 4.579 4.660 -0.000 0.000 0.294 335 W C 2.491 179.026 176.519 0.025 0.000 1.212 335 W CA 1.239 58.608 57.345 0.040 0.000 1.271 335 W CB -0.984 28.519 29.460 0.072 0.000 1.126 335 W HN 0.195 nan 8.180 nan 0.000 0.535 336 K N 0.904 121.454 120.400 0.250 0.000 2.032 336 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 336 K C 2.140 178.789 176.600 0.081 0.000 1.048 336 K CA 2.273 58.636 56.287 0.126 0.000 0.927 336 K CB -0.876 31.677 32.500 0.088 0.000 0.712 336 K HN -0.071 nan 8.250 nan 0.000 0.441 337 A N 0.326 123.197 122.820 0.085 0.000 1.877 337 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 337 A C 2.326 179.937 177.584 0.044 0.000 1.186 337 A CA 2.113 54.178 52.037 0.047 0.000 0.620 337 A CB -1.073 17.953 19.000 0.044 0.000 0.822 337 A HN 0.294 nan 8.150 nan 0.000 0.443 338 V N -2.819 117.137 119.914 0.070 0.000 2.427 338 V HA -0.140 3.979 4.120 -0.000 0.000 0.248 338 V C 2.147 178.257 176.094 0.026 0.000 1.051 338 V CA 2.607 64.935 62.300 0.046 0.000 1.048 338 V CB -1.749 30.100 31.823 0.044 0.000 0.666 338 V HN 0.402 nan 8.190 nan 0.000 0.456 339 T N 0.802 115.371 114.554 0.025 0.000 2.746 339 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 339 T C 1.962 176.666 174.700 0.006 0.000 1.039 339 T CA 2.323 64.426 62.100 0.005 0.000 1.142 339 T CB -0.652 68.215 68.868 -0.002 0.000 0.866 339 T HN 0.659 nan 8.240 nan 0.000 0.444 340 T N 2.490 117.049 114.554 0.008 0.000 2.699 340 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 340 T C 1.948 176.651 174.700 0.005 0.000 1.036 340 T CA 0.986 63.085 62.100 -0.003 0.000 1.147 340 T CB -0.511 68.347 68.868 -0.016 0.000 0.862 340 T HN 0.240 nan 8.240 nan 0.000 0.446 341 L N 0.488 121.720 121.223 0.015 0.000 2.131 341 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 341 L C 2.454 179.365 176.870 0.069 0.000 1.092 341 L CA 1.298 56.168 54.840 0.051 0.000 0.759 341 L CB -0.408 41.689 42.059 0.064 0.000 0.903 341 L HN 0.322 nan 8.230 nan 0.000 0.435 342 E N -0.996 119.228 120.200 0.040 0.000 2.502 342 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 342 E C 0.186 176.802 176.600 0.028 0.000 1.062 342 E CA -0.104 56.315 56.400 0.032 0.000 0.867 342 E CB 0.112 29.820 29.700 0.014 0.000 0.888 342 E HN 0.219 nan 8.360 nan 0.000 0.510 343 D N 1.288 121.706 120.400 0.029 0.000 2.393 343 D HA 0.007 4.646 4.640 -0.000 0.000 0.232 343 D C 0.413 176.734 176.300 0.036 0.000 1.192 343 D CA 0.099 54.112 54.000 0.023 0.000 0.882 343 D CB 0.721 41.529 40.800 0.012 0.000 1.038 343 D HN 0.016 nan 8.370 nan 0.000 0.499 344 E N 2.156 122.375 120.200 0.032 0.000 2.265 344 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 344 E C 1.475 178.098 176.600 0.038 0.000 0.996 344 E CA 0.793 57.215 56.400 0.038 0.000 0.832 344 E CB 0.188 29.903 29.700 0.025 0.000 0.756 344 E HN 0.545 nan 8.360 nan 0.000 0.491 345 A N 0.536 123.374 122.820 0.030 0.000 2.208 345 A HA 0.080 4.399 4.320 -0.000 0.000 0.209 345 A C 0.800 178.403 177.584 0.032 0.000 1.161 345 A CA 0.168 52.221 52.037 0.027 0.000 0.782 345 A CB -0.005 19.007 19.000 0.019 0.000 0.816 345 A HN 0.048 nan 8.150 nan 0.000 0.477 346 L N 0.468 121.713 121.223 0.038 0.000 2.325 346 L HA 0.322 4.662 4.340 -0.000 0.000 0.279 346 L C 0.118 177.026 176.870 0.063 0.000 1.054 346 L CA -0.665 54.197 54.840 0.036 0.000 0.804 346 L CB 1.330 43.400 42.059 0.017 0.000 1.200 346 L HN 0.241 nan 8.230 nan 0.000 0.436 347 E N 1.329 121.563 120.200 0.057 0.000 2.404 347 E HA -0.111 4.239 4.350 -0.000 0.000 0.261 347 E C 0.336 177.015 176.600 0.131 0.000 1.074 347 E CA 0.099 56.557 56.400 0.097 0.000 0.917 347 E CB 0.990 30.733 29.700 0.071 0.000 0.965 347 E HN 0.610 nan 8.360 nan 0.000 0.433 348 W N 3.108 124.413 121.300 0.009 0.000 2.317 348 W HA -0.308 4.352 4.660 0.000 0.000 0.318 348 W C 1.371 177.900 176.519 0.016 0.000 1.227 348 W CA 1.507 58.858 57.345 0.010 0.000 1.269 348 W CB -0.031 29.433 29.460 0.007 0.000 1.155 348 W HN 0.579 nan 8.180 nan 0.000 0.484 349 K N -0.090 120.262 120.400 -0.081 0.000 2.107 349 K HA -0.255 4.065 4.320 -0.000 0.000 0.211 349 K C 1.738 178.210 176.600 -0.213 0.000 1.049 349 K CA 2.484 58.678 56.287 -0.155 0.000 0.927 349 K CB -0.677 31.824 32.500 0.002 0.000 0.714 349 K HN 0.073 nan 8.250 nan 0.000 0.452 350 V N 1.069 120.891 119.914 -0.153 0.000 2.358 350 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 350 V C 1.943 177.913 176.094 -0.205 0.000 1.047 350 V CA 1.684 63.907 62.300 -0.128 0.000 1.035 350 V CB -0.303 31.478 31.823 -0.070 0.000 0.658 350 V HN 0.290 nan 8.190 nan 0.000 0.452 351 K N -0.268 119.941 120.400 -0.318 0.000 2.031 351 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 351 K C 2.108 178.381 176.600 -0.545 0.000 1.049 351 K CA 1.258 57.318 56.287 -0.379 0.000 0.939 351 K CB -0.400 31.871 32.500 -0.381 0.000 0.717 351 K HN 0.256 nan 8.250 nan 0.000 0.438 352 L N 2.081 122.752 121.223 -0.920 0.000 1.990 352 L HA -0.226 4.113 4.340 -0.000 0.000 0.213 352 L C 2.363 179.036 176.870 -0.329 0.000 1.072 352 L CA 1.883 56.287 54.840 -0.726 0.000 0.755 352 L CB -0.409 41.165 42.059 -0.807 0.000 0.889 352 L HN 0.220 nan 8.230 nan 0.000 0.432 353 E N -0.764 119.283 120.200 -0.254 0.000 2.058 353 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 353 E C 2.189 178.731 176.600 -0.098 0.000 0.997 353 E CA 1.957 58.278 56.400 -0.132 0.000 0.801 353 E CB -0.188 29.479 29.700 -0.056 0.000 0.746 353 E HN 0.499 nan 8.360 nan 0.000 0.450 354 M N 0.924 120.461 119.600 -0.106 0.000 2.080 354 M HA -0.129 4.351 4.480 -0.000 0.000 0.260 354 M C 2.086 178.354 176.300 -0.052 0.000 1.068 354 M CA 2.024 57.285 55.300 -0.064 0.000 1.109 354 M CB -0.595 31.968 32.600 -0.062 0.000 1.342 354 M HN 0.129 nan 8.290 nan 0.000 0.405 355 A N -0.141 122.628 122.820 -0.086 0.000 1.933 355 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 355 A C 2.079 179.647 177.584 -0.026 0.000 1.175 355 A CA 1.997 54.004 52.037 -0.051 0.000 0.628 355 A CB -0.622 18.335 19.000 -0.071 0.000 0.814 355 A HN 0.567 nan 8.150 nan 0.000 0.444 356 M N -0.597 118.976 119.600 -0.044 0.000 2.099 356 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 356 M C 2.250 178.552 176.300 0.002 0.000 1.067 356 M CA 1.459 56.746 55.300 -0.023 0.000 1.124 356 M CB -1.721 30.854 32.600 -0.043 0.000 1.353 356 M HN 0.525 nan 8.290 nan 0.000 0.410 357 Q N -0.334 119.466 119.800 -0.002 0.000 2.062 357 Q HA -0.192 4.147 4.340 -0.000 0.000 0.209 357 Q C 2.031 178.072 176.000 0.069 0.000 0.996 357 Q CA 2.468 58.287 55.803 0.026 0.000 0.859 357 Q CB -0.528 28.213 28.738 0.006 0.000 0.920 357 Q HN 0.532 nan 8.270 nan 0.000 0.415 358 T N 1.030 115.616 114.554 0.053 0.000 2.674 358 T HA -0.160 4.190 4.350 -0.000 0.000 0.265 358 T C 1.729 176.482 174.700 0.088 0.000 1.039 358 T CA 1.143 63.292 62.100 0.080 0.000 1.150 358 T CB -0.133 68.767 68.868 0.053 0.000 0.864 358 T HN 0.129 nan 8.240 nan 0.000 0.427 359 K N 1.057 121.490 120.400 0.054 0.000 2.009 359 K HA -0.036 4.284 4.320 -0.000 0.000 0.210 359 K C 2.293 178.930 176.600 0.062 0.000 1.049 359 K CA 1.328 57.644 56.287 0.047 0.000 0.929 359 K CB -0.659 31.858 32.500 0.028 0.000 0.714 359 K HN 0.378 nan 8.250 nan 0.000 0.440 360 I N -0.089 120.521 120.570 0.067 0.000 2.099 360 I HA -0.331 3.839 4.170 -0.000 0.000 0.239 360 I C 2.503 178.674 176.117 0.089 0.000 1.066 360 I CA 1.630 62.972 61.300 0.070 0.000 1.324 360 I CB -0.540 37.500 38.000 0.066 0.000 1.037 360 I HN 0.158 nan 8.210 nan 0.000 0.401 361 Y N 1.976 122.282 120.300 0.009 0.000 2.114 361 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 361 Y C 2.983 178.888 175.900 0.008 0.000 1.143 361 Y CA 2.371 60.475 58.100 0.007 0.000 1.135 361 Y CB -0.725 37.737 38.460 0.002 0.000 0.980 361 Y HN 0.319 nan 8.280 nan 0.000 0.499 362 T N -3.195 111.351 114.554 -0.012 0.000 2.821 362 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 362 T C 1.862 176.491 174.700 -0.119 0.000 1.046 362 T CA 1.812 63.848 62.100 -0.106 0.000 1.139 362 T CB -1.272 67.599 68.868 0.006 0.000 0.871 362 T HN 0.551 nan 8.240 nan 0.000 0.454 363 T N -0.155 114.378 114.554 -0.036 0.000 2.851 363 T HA -0.065 4.285 4.350 -0.000 0.000 0.262 363 T C 1.688 176.393 174.700 0.008 0.000 1.043 363 T CA 1.110 63.234 62.100 0.040 0.000 1.140 363 T CB -0.613 68.333 68.868 0.130 0.000 0.872 363 T HN 0.179 nan 8.240 nan 0.000 0.446 364 D N 1.029 121.400 120.400 -0.048 0.000 2.104 364 D HA -0.041 4.599 4.640 -0.000 0.000 0.194 364 D C 2.272 178.502 176.300 -0.116 0.000 0.994 364 D CA 0.795 54.755 54.000 -0.066 0.000 0.830 364 D CB -0.623 40.139 40.800 -0.064 0.000 0.959 364 D HN 0.260 nan 8.370 nan 0.000 0.452 365 V N 0.879 120.641 119.914 -0.252 0.000 2.427 365 V HA -0.179 3.940 4.120 -0.000 0.000 0.248 365 V C 2.366 178.370 176.094 -0.150 0.000 1.051 365 V CA 1.545 63.672 62.300 -0.289 0.000 1.048 365 V CB -0.517 30.900 31.823 -0.676 0.000 0.666 365 V HN 0.183 nan 8.190 nan 0.000 0.456 366 A N -0.182 122.578 122.820 -0.101 0.000 1.917 366 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 366 A C 2.347 179.955 177.584 0.040 0.000 1.182 366 A CA 2.341 54.379 52.037 0.001 0.000 0.633 366 A CB -0.678 18.365 19.000 0.072 0.000 0.819 366 A HN 0.381 nan 8.150 nan 0.000 0.448 367 V N -0.109 119.821 119.914 0.027 0.000 2.295 367 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 367 V C 2.358 178.461 176.094 0.015 0.000 1.049 367 V CA 2.284 64.599 62.300 0.025 0.000 1.024 367 V CB -1.038 30.789 31.823 0.007 0.000 0.648 367 V HN 0.650 nan 8.190 nan 0.000 0.447 368 E N -0.735 119.460 120.200 -0.007 0.000 2.097 368 E HA -0.298 4.052 4.350 -0.000 0.000 0.196 368 E C 2.277 178.884 176.600 0.011 0.000 1.000 368 E CA 1.786 58.181 56.400 -0.007 0.000 0.804 368 E CB -0.436 29.247 29.700 -0.027 0.000 0.740 368 E HN 0.669 nan 8.360 nan 0.000 0.454 369 C N 0.319 119.627 119.300 0.014 0.000 2.432 369 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 369 C C 2.691 177.740 174.990 0.098 0.000 1.249 369 C CA 0.709 59.755 59.018 0.047 0.000 1.725 369 C CB -0.768 26.991 27.740 0.032 0.000 2.028 369 C HN 0.221 nan 8.230 nan 0.000 0.477 370 V N 1.166 121.142 119.914 0.104 0.000 2.295 370 V HA -0.218 3.901 4.120 -0.000 0.000 0.246 370 V C 2.302 178.452 176.094 0.092 0.000 1.049 370 V CA 2.504 64.890 62.300 0.145 0.000 1.024 370 V CB -0.611 31.294 31.823 0.136 0.000 0.648 370 V HN 0.572 nan 8.190 nan 0.000 0.447 371 I N -0.027 120.571 120.570 0.046 0.000 2.226 371 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 371 I C 2.294 178.399 176.117 -0.021 0.000 1.100 371 I CA 1.622 62.925 61.300 0.006 0.000 1.374 371 I CB -0.478 37.524 38.000 0.004 0.000 1.057 371 I HN 0.315 nan 8.210 nan 0.000 0.413 372 D N 0.958 121.360 120.400 0.003 0.000 2.144 372 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 372 D C 2.226 178.522 176.300 -0.007 0.000 0.984 372 D CA 1.449 55.450 54.000 0.003 0.000 0.834 372 D CB -0.097 40.720 40.800 0.029 0.000 0.955 372 D HN 0.337 nan 8.370 nan 0.000 0.465 373 A N 0.373 123.203 122.820 0.016 0.000 1.902 373 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 373 A C 2.264 179.664 177.584 -0.306 0.000 1.181 373 A CA 1.286 53.316 52.037 -0.011 0.000 0.623 373 A CB -0.486 18.625 19.000 0.185 0.000 0.818 373 A HN 0.160 nan 8.150 nan 0.000 0.443 374 M N -0.583 118.774 119.600 -0.405 0.000 2.067 374 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 374 M C 2.140 178.243 176.300 -0.329 0.000 1.069 374 M CA 1.849 56.803 55.300 -0.578 0.000 1.117 374 M CB -0.415 31.980 32.600 -0.343 0.000 1.334 374 M HN 0.323 nan 8.290 nan 0.000 0.407 375 K N 0.411 120.703 120.400 -0.181 0.000 2.074 375 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 375 K C 2.081 178.626 176.600 -0.091 0.000 1.048 375 K CA 1.665 57.884 56.287 -0.113 0.000 0.926 375 K CB -0.424 32.036 32.500 -0.067 0.000 0.713 375 K HN 0.338 nan 8.250 nan 0.000 0.444 376 A N 1.029 123.802 122.820 -0.078 0.000 1.877 376 A HA -0.112 4.207 4.320 -0.000 0.000 0.216 376 A C 2.408 179.992 177.584 -0.000 0.000 1.186 376 A CA 1.418 53.448 52.037 -0.012 0.000 0.620 376 A CB -0.601 18.415 19.000 0.026 0.000 0.822 376 A HN 0.083 nan 8.150 nan 0.000 0.443 377 V N -0.933 118.898 119.914 -0.137 0.000 2.427 377 V HA 0.178 4.297 4.120 -0.000 0.000 0.248 377 V C 1.836 177.824 176.094 -0.176 0.000 1.051 377 V CA 1.314 63.465 62.300 -0.249 0.000 1.048 377 V CB -1.706 29.748 31.823 -0.615 0.000 0.666 377 V HN 1.226 nan 8.190 nan 0.000 0.456 378 G N -0.798 107.900 108.800 -0.169 0.000 2.499 378 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.232 378 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.232 378 G C 0.409 175.237 174.900 -0.121 0.000 1.251 378 G CA 0.339 45.376 45.100 -0.106 0.000 0.917 378 G HN 0.174 nan 8.290 nan 0.000 0.580 379 M N 0.532 120.092 119.600 -0.066 0.000 2.106 379 M HA 0.024 4.504 4.480 -0.000 0.000 0.259 379 M C 2.371 178.666 176.300 -0.010 0.000 1.068 379 M CA 2.973 58.250 55.300 -0.039 0.000 1.100 379 M CB -0.603 31.988 32.600 -0.015 0.000 1.351 379 M HN 0.566 nan 8.290 nan 0.000 0.404 380 K N -0.528 119.844 120.400 -0.047 0.000 2.360 380 K HA -0.124 4.196 4.320 -0.000 0.000 0.201 380 K C 1.777 178.348 176.600 -0.049 0.000 1.046 380 K CA 1.448 57.705 56.287 -0.051 0.000 0.940 380 K CB -0.395 32.041 32.500 -0.107 0.000 0.748 380 K HN 0.602 nan 8.250 nan 0.000 0.465 381 S N -0.541 115.092 115.700 -0.111 0.000 2.515 381 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 381 S C 1.584 176.253 174.600 0.115 0.000 0.987 381 S CA 0.372 58.528 58.200 -0.073 0.000 0.936 381 S CB -0.195 62.674 63.200 -0.551 0.000 0.766 381 S HN 0.353 nan 8.310 nan 0.000 0.528 382 Y N 2.281 122.557 120.300 -0.041 0.000 2.482 382 Y HA 0.588 5.137 4.550 -0.000 0.000 0.270 382 Y C 0.973 176.876 175.900 0.005 0.000 1.152 382 Y CA -0.650 57.441 58.100 -0.016 0.000 1.292 382 Y CB -0.253 38.187 38.460 -0.034 0.000 1.070 382 Y HN 0.437 nan 8.280 nan 0.000 0.528 383 A N 0.153 122.987 122.820 0.022 0.000 2.294 383 A HA 0.391 4.710 4.320 -0.000 0.000 0.330 383 A C 0.682 178.245 177.584 -0.035 0.000 1.133 383 A CA -0.677 51.340 52.037 -0.033 0.000 0.836 383 A CB 0.859 19.867 19.000 0.013 0.000 1.190 383 A HN 0.334 nan 8.150 nan 0.000 0.492 384 K N 0.428 120.795 120.400 -0.055 0.000 2.476 384 K HA -0.005 4.314 4.320 -0.000 0.000 0.196 384 K C 0.015 176.591 176.600 -0.041 0.000 1.025 384 K CA 0.602 56.857 56.287 -0.054 0.000 1.138 384 K CB 0.208 32.669 32.500 -0.065 0.000 0.860 384 K HN 0.781 nan 8.250 nan 0.000 0.515 385 D N 0.094 120.479 120.400 -0.024 0.000 2.349 385 D HA -0.065 4.575 4.640 -0.000 0.000 0.224 385 D C 0.591 176.878 176.300 -0.023 0.000 1.029 385 D CA 0.426 54.413 54.000 -0.021 0.000 0.879 385 D CB 0.178 40.974 40.800 -0.006 0.000 0.906 385 D HN 0.103 nan 8.370 nan 0.000 0.528 386 M N -0.488 119.101 119.600 -0.018 0.000 2.777 386 M HA 0.270 4.750 4.480 -0.000 0.000 0.307 386 M C 0.900 177.125 176.300 -0.125 0.000 1.228 386 M CA -0.817 54.455 55.300 -0.047 0.000 0.871 386 M CB 2.208 34.855 32.600 0.078 0.000 1.721 386 M HN -0.334 nan 8.290 nan 0.000 0.487 387 S N 0.181 115.686 115.700 -0.324 0.000 2.453 387 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 387 S C 1.392 175.815 174.600 -0.295 0.000 1.005 387 S CA 1.173 59.164 58.200 -0.347 0.000 0.949 387 S CB -0.277 62.654 63.200 -0.448 0.000 0.774 387 S HN 0.496 nan 8.310 nan 0.000 0.510 388 F N 1.786 121.706 119.950 -0.050 0.000 2.126 388 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 388 F C -0.464 175.305 175.800 -0.053 0.000 1.096 388 F CA 0.713 58.688 58.000 -0.041 0.000 1.255 388 F CB -2.251 36.727 39.000 -0.037 0.000 0.997 388 F HN 0.191 nan 8.300 nan 0.000 0.479 389 P HA -0.206 nan 4.420 nan 0.000 0.216 389 P C 1.600 178.877 177.300 -0.038 0.000 1.153 389 P CA 1.800 64.888 63.100 -0.019 0.000 0.858 389 P CB -0.137 31.505 31.700 -0.096 0.000 0.789 390 R N 0.042 120.510 120.500 -0.053 0.000 2.073 390 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 390 R C 2.210 178.460 176.300 -0.083 0.000 1.134 390 R CA 1.440 57.495 56.100 -0.075 0.000 0.952 390 R CB -0.980 29.276 30.300 -0.073 0.000 0.850 390 R HN 0.135 nan 8.270 nan 0.000 0.433 391 L N 0.877 122.069 121.223 -0.052 0.000 2.042 391 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 391 L C 2.580 179.448 176.870 -0.004 0.000 1.076 391 L CA 0.756 55.584 54.840 -0.019 0.000 0.749 391 L CB -0.609 41.458 42.059 0.013 0.000 0.893 391 L HN 0.287 nan 8.230 nan 0.000 0.432 392 L N 0.149 121.387 121.223 0.025 0.000 2.012 392 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 392 L C 2.304 179.144 176.870 -0.050 0.000 1.073 392 L CA 1.870 56.719 54.840 0.015 0.000 0.748 392 L CB -0.734 41.350 42.059 0.041 0.000 0.891 392 L HN 0.260 nan 8.230 nan 0.000 0.431 393 N N -0.371 118.281 118.700 -0.081 0.000 2.142 393 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 393 N C 1.717 177.099 175.510 -0.212 0.000 1.023 393 N CA 1.651 54.629 53.050 -0.120 0.000 0.852 393 N CB -0.104 38.318 38.487 -0.108 0.000 0.998 393 N HN 0.555 nan 8.380 nan 0.000 0.424 394 E N 0.643 120.668 120.200 -0.292 0.000 2.110 394 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 394 E C 1.953 178.254 176.600 -0.498 0.000 0.988 394 E CA 0.580 56.664 56.400 -0.526 0.000 0.804 394 E CB -0.006 29.357 29.700 -0.563 0.000 0.745 394 E HN 0.020 nan 8.360 nan 0.000 0.458 395 V N 0.855 120.592 119.914 -0.295 0.000 2.515 395 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 395 V C 1.904 177.813 176.094 -0.307 0.000 1.058 395 V CA 1.154 63.301 62.300 -0.255 0.000 1.064 395 V CB -0.117 31.729 31.823 0.039 0.000 0.675 395 V HN 0.327 nan 8.190 nan 0.000 0.461 396 M N -1.314 118.146 119.600 -0.234 0.000 2.460 396 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 396 M C 2.234 178.388 176.300 -0.244 0.000 1.071 396 M CA 1.331 56.527 55.300 -0.173 0.000 1.096 396 M CB -2.061 30.472 32.600 -0.110 0.000 1.408 396 M HN 0.627 nan 8.290 nan 0.000 0.463 397 C N 0.080 119.121 119.300 -0.432 0.000 2.425 397 C HA -0.201 4.259 4.460 -0.000 0.000 0.277 397 C C 2.559 177.228 174.990 -0.535 0.000 1.280 397 C CA 0.739 59.437 59.018 -0.535 0.000 1.744 397 C CB -0.974 26.341 27.740 -0.709 0.000 1.989 397 C HN 0.505 nan 8.230 nan 0.000 0.491 398 Y N 2.253 122.362 120.300 -0.318 0.000 2.145 398 Y HA 0.006 4.556 4.550 -0.000 0.000 0.286 398 Y C 0.183 176.146 175.900 0.105 0.000 1.145 398 Y CA 1.311 59.326 58.100 -0.141 0.000 1.148 398 Y CB -2.475 35.957 38.460 -0.047 0.000 0.981 398 Y HN 0.375 nan 8.280 nan 0.000 0.507 399 P HA -0.103 nan 4.420 nan 0.000 0.222 399 P C 1.291 178.644 177.300 0.088 0.000 1.147 399 P CA 1.530 64.695 63.100 0.109 0.000 0.790 399 P CB -0.019 31.708 31.700 0.044 0.000 0.780 400 L N -1.828 119.436 121.223 0.068 0.000 2.221 400 L HA 0.150 4.490 4.340 -0.000 0.000 0.202 400 L C 1.941 178.847 176.870 0.060 0.000 1.074 400 L CA 0.168 55.011 54.840 0.005 0.000 0.795 400 L CB -0.571 41.438 42.059 -0.084 0.000 0.960 400 L HN -0.027 nan 8.230 nan 0.000 0.458 401 F N -0.307 119.571 119.950 -0.121 0.000 2.251 401 F HA 0.261 4.788 4.527 -0.000 0.000 0.302 401 F C 0.744 176.507 175.800 -0.062 0.000 1.143 401 F CA -0.806 57.113 58.000 -0.135 0.000 1.104 401 F CB 0.200 39.129 39.000 -0.119 0.000 1.516 401 F HN -0.052 nan 8.300 nan 0.000 0.511 402 D N 0.757 120.847 120.400 -0.517 0.000 2.701 402 D HA -0.097 4.542 4.640 -0.000 0.000 0.235 402 D C 0.008 176.174 176.300 -0.223 0.000 1.155 402 D CA 1.616 55.331 54.000 -0.476 0.000 0.649 402 D CB -1.439 38.893 40.800 -0.779 0.000 1.050 402 D HN 1.442 nan 8.370 nan 0.000 0.425 403 G N -1.022 107.636 108.800 -0.235 0.000 3.273 403 G HA2 0.270 4.230 3.960 -0.000 0.000 0.325 403 G HA3 0.270 4.230 3.960 -0.000 0.000 0.325 403 G C 0.586 175.425 174.900 -0.100 0.000 0.960 403 G CA 0.099 45.069 45.100 -0.217 0.000 0.808 403 G HN 0.939 nan 8.290 nan 0.000 0.387 404 G N 1.483 110.234 108.800 -0.081 0.000 2.594 404 G HA2 0.399 4.358 3.960 -0.000 0.000 0.243 404 G HA3 0.399 4.358 3.960 -0.000 0.000 0.243 404 G C 1.016 175.903 174.900 -0.021 0.000 1.229 404 G CA 0.215 45.295 45.100 -0.033 0.000 0.843 404 G HN 0.644 nan 8.290 nan 0.000 0.578 405 N N 0.457 119.158 118.700 0.001 0.000 2.142 405 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 405 N C 2.184 177.691 175.510 -0.005 0.000 1.023 405 N CA 0.661 53.713 53.050 0.004 0.000 0.852 405 N CB -0.094 38.403 38.487 0.017 0.000 0.998 405 N HN 0.381 nan 8.380 nan 0.000 0.424 406 I N 0.235 120.800 120.570 -0.008 0.000 2.202 406 I HA -0.057 4.113 4.170 -0.000 0.000 0.242 406 I C 2.258 178.369 176.117 -0.011 0.000 1.091 406 I CA 1.220 62.514 61.300 -0.009 0.000 1.368 406 I CB -1.560 36.434 38.000 -0.010 0.000 1.058 406 I HN 0.112 nan 8.210 nan 0.000 0.410 407 G N -0.497 108.294 108.800 -0.015 0.000 2.545 407 G HA2 0.110 4.069 3.960 -0.000 0.000 0.212 407 G HA3 0.110 4.069 3.960 -0.000 0.000 0.212 407 G C 1.727 176.623 174.900 -0.005 0.000 1.144 407 G CA 0.080 45.174 45.100 -0.010 0.000 0.813 407 G HN 0.240 nan 8.290 nan 0.000 0.531 408 L N -0.775 120.438 121.223 -0.016 0.000 2.488 408 L HA 0.279 4.619 4.340 -0.000 0.000 0.186 408 L C 2.899 179.760 176.870 -0.014 0.000 1.124 408 L CA -0.102 54.730 54.840 -0.014 0.000 0.838 408 L CB -0.027 42.002 42.059 -0.051 0.000 1.107 408 L HN -0.121 nan 8.230 nan 0.000 0.494 409 R N 0.570 121.057 120.500 -0.021 0.000 2.075 409 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 409 R C 2.157 178.446 176.300 -0.017 0.000 1.126 409 R CA 1.096 57.187 56.100 -0.016 0.000 0.963 409 R CB -0.732 29.562 30.300 -0.010 0.000 0.858 409 R HN 0.322 nan 8.270 nan 0.000 0.435 410 R N 0.287 120.777 120.500 -0.015 0.000 2.120 410 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 410 R C 2.235 178.515 176.300 -0.033 0.000 1.123 410 R CA 1.074 57.160 56.100 -0.022 0.000 0.975 410 R CB -0.166 30.125 30.300 -0.015 0.000 0.866 410 R HN -0.003 nan 8.270 nan 0.000 0.446 411 R N 0.826 121.311 120.500 -0.025 0.000 2.073 411 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 411 R C 2.199 178.477 176.300 -0.035 0.000 1.120 411 R CA 1.337 57.419 56.100 -0.028 0.000 0.967 411 R CB -0.408 29.883 30.300 -0.014 0.000 0.862 411 R HN 0.306 nan 8.270 nan 0.000 0.436 412 Q N -0.423 119.364 119.800 -0.023 0.000 2.096 412 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 412 Q C 2.083 178.049 176.000 -0.057 0.000 0.982 412 Q CA 1.842 57.632 55.803 -0.022 0.000 0.850 412 Q CB -0.190 28.550 28.738 0.003 0.000 0.901 412 Q HN 0.333 nan 8.270 nan 0.000 0.422 413 M N 0.413 119.971 119.600 -0.069 0.000 2.077 413 M HA -0.247 4.233 4.480 -0.000 0.000 0.261 413 M C 2.357 178.563 176.300 -0.157 0.000 1.070 413 M CA 1.636 56.871 55.300 -0.108 0.000 1.125 413 M CB -0.076 32.472 32.600 -0.086 0.000 1.339 413 M HN 0.140 nan 8.290 nan 0.000 0.409 414 Q N 0.175 119.899 119.800 -0.127 0.000 2.133 414 Q HA -0.308 4.032 4.340 -0.000 0.000 0.208 414 Q C 2.066 177.970 176.000 -0.160 0.000 0.991 414 Q CA 2.301 58.019 55.803 -0.142 0.000 0.867 414 Q CB -0.250 28.433 28.738 -0.092 0.000 0.911 414 Q HN 0.517 nan 8.270 nan 0.000 0.417 415 R N -0.608 119.820 120.500 -0.120 0.000 2.091 415 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 415 R C 2.216 178.437 176.300 -0.132 0.000 1.136 415 R CA 1.596 57.634 56.100 -0.103 0.000 0.959 415 R CB -0.141 30.120 30.300 -0.065 0.000 0.856 415 R HN 0.213 nan 8.270 nan 0.000 0.437 416 V N 0.749 120.565 119.914 -0.164 0.000 2.358 416 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 416 V C 2.298 178.150 176.094 -0.403 0.000 1.047 416 V CA 1.934 64.121 62.300 -0.189 0.000 1.035 416 V CB -0.354 31.374 31.823 -0.159 0.000 0.658 416 V HN 0.401 nan 8.190 nan 0.000 0.452 417 M N -0.055 119.155 119.600 -0.651 0.000 2.213 417 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 417 M C 2.114 178.087 176.300 -0.545 0.000 1.062 417 M CA 1.912 56.532 55.300 -1.134 0.000 1.105 417 M CB -0.451 31.679 32.600 -0.782 0.000 1.385 417 M HN 0.389 nan 8.290 nan 0.000 0.417 418 A N 0.185 122.833 122.820 -0.287 0.000 2.208 418 A HA 0.220 4.539 4.320 -0.000 0.000 0.209 418 A C 0.935 178.475 177.584 -0.075 0.000 1.161 418 A CA -0.020 51.932 52.037 -0.141 0.000 0.782 418 A CB -0.430 18.506 19.000 -0.106 0.000 0.816 418 A HN 0.330 nan 8.150 nan 0.000 0.477 419 L N 0.445 121.628 121.223 -0.066 0.000 2.456 419 L HA 0.055 4.395 4.340 -0.000 0.000 0.272 419 L C 1.291 178.184 176.870 0.039 0.000 1.189 419 L CA -0.333 54.505 54.840 -0.004 0.000 0.846 419 L CB 0.406 42.473 42.059 0.015 0.000 1.111 419 L HN 0.408 nan 8.230 nan 0.000 0.475 420 E N 1.382 121.599 120.200 0.029 0.000 2.160 420 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 420 E C 0.852 177.481 176.600 0.048 0.000 0.991 420 E CA 1.518 57.939 56.400 0.035 0.000 0.810 420 E CB 0.011 29.723 29.700 0.020 0.000 0.742 420 E HN 0.758 nan 8.360 nan 0.000 0.466 421 D N -0.122 120.309 120.400 0.052 0.000 2.340 421 D HA -0.140 4.500 4.640 -0.000 0.000 0.220 421 D C 0.325 176.662 176.300 0.063 0.000 1.039 421 D CA -0.351 53.676 54.000 0.045 0.000 0.866 421 D CB -0.887 39.932 40.800 0.032 0.000 0.913 421 D HN 0.210 nan 8.370 nan 0.000 0.523 422 Y N 2.228 122.499 120.300 -0.048 0.000 2.916 422 Y HA -0.134 4.416 4.550 -0.000 0.000 0.344 422 Y C -0.150 175.697 175.900 -0.088 0.000 1.282 422 Y CA 0.406 58.460 58.100 -0.076 0.000 1.604 422 Y CB 0.239 38.644 38.460 -0.092 0.000 1.207 422 Y HN -0.086 nan 8.280 nan 0.000 0.561 423 E N 9.225 129.138 120.200 -0.479 0.000 2.101 423 E HA 0.122 4.472 4.350 -0.000 0.000 0.260 423 E C -1.808 174.270 176.600 -0.869 0.000 0.897 423 E CA -1.955 54.115 56.400 -0.551 0.000 0.744 423 E CB 1.128 30.694 29.700 -0.223 0.000 1.140 423 E HN 0.581 nan 8.360 nan 0.000 0.419 424 P HA -0.154 nan 4.420 nan 0.000 0.216 424 P C 0.184 176.945 177.300 -0.899 0.000 1.150 424 P CA 1.250 63.531 63.100 -1.365 0.000 0.837 424 P CB 0.104 30.851 31.700 -1.588 0.000 0.786 425 W N -1.216 119.990 121.300 -0.156 0.000 3.102 425 W HA 0.563 5.223 4.660 0.000 0.000 0.401 425 W C 1.947 178.443 176.519 -0.038 0.000 1.070 425 W CA -0.231 57.088 57.345 -0.043 0.000 1.921 425 W CB -0.427 29.104 29.460 0.118 0.000 1.118 425 W HN -0.113 nan 8.180 nan 0.000 0.647 426 A N 1.102 123.953 122.820 0.051 0.000 1.933 426 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 426 A C 2.176 179.778 177.584 0.030 0.000 1.175 426 A CA 2.032 54.091 52.037 0.038 0.000 0.628 426 A CB -0.748 18.237 19.000 -0.026 0.000 0.814 426 A HN 0.251 nan 8.150 nan 0.000 0.444 427 A N -1.565 121.260 122.820 0.009 0.000 2.172 427 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 427 A C 2.045 179.607 177.584 -0.037 0.000 1.154 427 A CA 2.018 54.048 52.037 -0.011 0.000 0.701 427 A CB -0.501 18.488 19.000 -0.018 0.000 0.789 427 A HN 0.439 nan 8.150 nan 0.000 0.465 428 T N -2.832 111.683 114.554 -0.064 0.000 3.114 428 T HA 0.140 4.489 4.350 -0.000 0.000 0.240 428 T C 1.064 175.594 174.700 -0.283 0.000 0.983 428 T CA 0.673 62.614 62.100 -0.266 0.000 1.151 428 T CB -0.119 68.446 68.868 -0.504 0.000 0.974 428 T HN 0.502 nan 8.240 nan 0.000 0.442 429 Y N 1.364 121.700 120.300 0.060 0.000 2.507 429 Y HA 0.456 5.006 4.550 -0.000 0.000 0.254 429 Y C 1.454 177.371 175.900 0.029 0.000 1.171 429 Y CA -0.292 57.828 58.100 0.034 0.000 1.238 429 Y CB 0.491 38.971 38.460 0.034 0.000 1.148 429 Y HN 0.425 nan 8.280 nan 0.000 0.525 430 G N 0.611 109.493 108.800 0.136 0.000 2.860 430 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.553 430 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.553 430 G C -0.185 174.763 174.900 0.080 0.000 1.439 430 G CA -0.397 44.753 45.100 0.085 0.000 0.879 430 G HN 0.194 nan 8.290 nan 0.000 0.545 431 S N 0.000 115.728 115.700 0.047 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.219 58.200 0.032 0.000 1.107 431 S CB 0.000 63.212 63.200 0.019 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517