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 2vzm_1_A DATA FIRST_RESID 12 DATA SEQUENCE PPVLDLGALG QDFAADPYPT YARLRAEGPA HRVRTPEGNE VWLVVGYDRA DATA SEQUENCE RAVLADPRFS KDWRNSTTPL TEAEAALNHN MLESDPPRHT RLRKLVAREF DATA SEQUENCE TMRRVELLRP RVQEIVDGLV DAMLAAPDGR ADLMESLAWP LPITVISELL DATA SEQUENCE GVPEPDRAAF RVWTDAFVFP DDPAQAQTAM AEMSGYLSRL IDSKRGQDGE DATA SEQUENCE DLLSALVRTS DEDGSRLTSE ELLGMAHILL VAGHETTVNL IANGMYALLS DATA SEQUENCE HPDQLAALRA DMTLLDGAVE EMLRYEGPVE SATYRFPVEP VDLDGTVIPA DATA SEQUENCE GDTVLVVLAD AHRTPERFPD PHRFDIRRDT AGHLAFGHGI HFCIGAPLAR DATA SEQUENCE LEARIAVRAL LERCPDLALD VSPGELVWYP NPMIRGLKAL PIRWR 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.297 177.300 -0.005 0.000 1.155 12 P CA 0.000 63.112 63.100 0.021 0.000 0.800 12 P CB 0.000 31.730 31.700 0.049 0.000 0.726 13 P HA 0.422 nan 4.420 nan 0.000 0.271 13 P C 0.154 177.420 177.300 -0.055 0.000 1.233 13 P CA -0.053 63.027 63.100 -0.034 0.000 0.789 13 P CB 0.243 31.926 31.700 -0.029 0.000 0.951 14 V N 2.042 121.908 119.914 -0.081 0.000 2.493 14 V HA -0.095 4.026 4.120 0.000 0.000 0.292 14 V C 0.879 176.919 176.094 -0.089 0.000 1.016 14 V CA -0.273 61.960 62.300 -0.110 0.000 1.097 14 V CB 0.011 31.760 31.823 -0.124 0.000 0.947 14 V HN 0.420 nan 8.190 nan 0.000 0.479 15 L N 5.391 126.559 121.223 -0.092 0.000 2.369 15 L HA 0.308 4.648 4.340 0.000 0.000 0.279 15 L C 0.194 176.990 176.870 -0.123 0.000 1.108 15 L CA 0.362 55.143 54.840 -0.100 0.000 0.852 15 L CB 0.601 42.598 42.059 -0.103 0.000 1.169 15 L HN 0.665 nan 8.230 nan 0.000 0.452 16 D N 4.525 124.853 120.400 -0.120 0.000 2.339 16 D HA 0.109 4.750 4.640 0.000 0.000 0.241 16 D C 0.925 177.113 176.300 -0.187 0.000 1.183 16 D CA 0.058 53.985 54.000 -0.123 0.000 0.859 16 D CB 0.822 41.569 40.800 -0.087 0.000 1.067 16 D HN 0.642 nan 8.370 nan 0.000 0.484 17 L N 2.972 124.054 121.223 -0.235 0.000 2.341 17 L HA 0.119 4.459 4.340 0.000 0.000 0.214 17 L C 2.343 179.043 176.870 -0.284 0.000 1.115 17 L CA 0.524 55.110 54.840 -0.424 0.000 0.820 17 L CB 0.009 41.764 42.059 -0.507 0.000 0.944 17 L HN 0.470 nan 8.230 nan 0.000 0.452 18 G N 0.094 108.815 108.800 -0.132 0.000 2.402 18 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 18 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 18 G C 1.723 176.594 174.900 -0.050 0.000 1.162 18 G CA 0.682 45.752 45.100 -0.049 0.000 0.777 18 G HN 0.422 nan 8.290 nan 0.000 0.539 19 A N -0.216 122.561 122.820 -0.072 0.000 2.178 19 A HA 0.264 4.584 4.320 0.000 0.000 0.218 19 A C 1.526 179.072 177.584 -0.063 0.000 1.157 19 A CA 0.520 52.523 52.037 -0.057 0.000 0.689 19 A CB -0.223 18.740 19.000 -0.062 0.000 0.787 19 A HN 0.280 nan 8.150 nan 0.000 0.465 20 L N -1.014 120.148 121.223 -0.101 0.000 2.491 20 L HA 0.427 4.767 4.340 0.000 0.000 0.164 20 L C 1.431 178.294 176.870 -0.012 0.000 0.979 20 L CA 1.378 56.173 54.840 -0.076 0.000 1.124 20 L CB -1.564 40.411 42.059 -0.139 0.000 1.685 20 L HN 0.776 nan 8.230 nan 0.000 0.467 21 G N -1.246 107.570 108.800 0.027 0.000 2.846 21 G HA2 0.434 4.394 3.960 0.000 0.000 0.254 21 G HA3 0.434 4.394 3.960 0.000 0.000 0.254 21 G C -0.110 174.870 174.900 0.133 0.000 1.017 21 G CA 0.988 46.140 45.100 0.087 0.000 1.188 21 G HN 1.257 nan 8.290 nan 0.000 0.518 22 Q N -0.760 119.107 119.800 0.111 0.000 7.925 22 Q HA 0.198 4.538 4.340 0.000 0.000 0.368 22 Q C 1.146 177.173 176.000 0.044 0.000 0.973 22 Q CA 1.687 57.529 55.803 0.065 0.000 0.538 22 Q CB -1.495 27.271 28.738 0.047 0.000 0.159 22 Q HN 2.223 nan 8.270 nan 0.000 0.896 23 D N -2.846 117.568 120.400 0.023 0.000 3.598 23 D HA -0.154 4.486 4.640 0.000 0.000 0.217 23 D C 0.780 177.072 176.300 -0.013 0.000 1.006 23 D CA 2.865 56.873 54.000 0.012 0.000 2.236 23 D CB -1.839 38.978 40.800 0.028 0.000 1.213 23 D HN 1.182 nan 8.370 nan 0.000 0.510 24 F N 1.154 121.031 119.950 -0.121 0.000 2.259 24 F HA 0.281 4.809 4.527 0.000 0.000 0.298 24 F C 2.036 177.708 175.800 -0.213 0.000 1.088 24 F CA 2.175 60.062 58.000 -0.188 0.000 1.358 24 F CB -0.266 38.630 39.000 -0.173 0.000 1.040 24 F HN 0.178 nan 8.300 nan 0.000 0.505 25 A N 0.441 123.167 122.820 -0.157 0.000 1.930 25 A HA 0.025 4.345 4.320 0.000 0.000 0.217 25 A C 2.395 179.785 177.584 -0.323 0.000 1.175 25 A CA 1.509 53.415 52.037 -0.219 0.000 0.627 25 A CB -1.427 17.559 19.000 -0.024 0.000 0.815 25 A HN 0.459 nan 8.150 nan 0.000 0.443 26 A N -1.227 121.451 122.820 -0.237 0.000 1.897 26 A HA 0.069 4.389 4.320 0.000 0.000 0.215 26 A C 0.941 178.206 177.584 -0.532 0.000 1.181 26 A CA 1.693 53.539 52.037 -0.319 0.000 0.620 26 A CB -0.069 18.904 19.000 -0.045 0.000 0.821 26 A HN 0.389 nan 8.150 nan 0.000 0.443 27 D N -2.202 117.948 120.400 -0.417 0.000 2.586 27 D HA 0.256 4.896 4.640 0.000 0.000 0.254 27 D C -2.300 173.704 176.300 -0.494 0.000 1.248 27 D CA -1.375 52.403 54.000 -0.370 0.000 0.843 27 D CB 1.167 41.872 40.800 -0.158 0.000 1.332 27 D HN 0.039 nan 8.370 nan 0.000 0.523 28 P HA -0.076 nan 4.420 nan 0.000 0.229 28 P C 1.098 177.916 177.300 -0.804 0.000 1.160 28 P CA 0.479 62.841 63.100 -1.229 0.000 0.777 28 P CB 0.140 30.815 31.700 -1.709 0.000 0.814 29 Y N 1.152 121.269 120.300 -0.305 0.000 2.151 29 Y HA -0.134 4.416 4.550 0.000 0.000 0.284 29 Y C -0.117 175.765 175.900 -0.030 0.000 1.166 29 Y CA 1.658 59.714 58.100 -0.073 0.000 1.163 29 Y CB -2.677 35.773 38.460 -0.017 0.000 0.974 29 Y HN 0.164 nan 8.280 nan 0.000 0.511 30 P HA -0.122 nan 4.420 nan 0.000 0.217 30 P C 1.478 178.791 177.300 0.022 0.000 1.150 30 P CA 2.065 65.189 63.100 0.040 0.000 0.832 30 P CB -0.116 31.585 31.700 0.001 0.000 0.787 31 T N -1.290 113.243 114.554 -0.035 0.000 2.652 31 T HA -0.198 4.152 4.350 0.000 0.000 0.267 31 T C 1.645 176.351 174.700 0.010 0.000 1.039 31 T CA 1.508 63.583 62.100 -0.041 0.000 1.153 31 T CB -1.240 67.622 68.868 -0.011 0.000 0.863 31 T HN 0.189 nan 8.240 nan 0.000 0.428 32 Y N 1.251 121.600 120.300 0.082 0.000 2.181 32 Y HA -0.101 4.450 4.550 0.001 0.000 0.288 32 Y C 2.915 178.840 175.900 0.041 0.000 1.146 32 Y CA 0.393 58.522 58.100 0.048 0.000 1.164 32 Y CB -0.403 38.090 38.460 0.056 0.000 0.982 32 Y HN 0.205 nan 8.280 nan 0.000 0.515 33 A N 0.574 123.534 122.820 0.233 0.000 1.902 33 A HA -0.249 4.071 4.320 0.000 0.000 0.217 33 A C 2.183 179.829 177.584 0.103 0.000 1.181 33 A CA 1.868 54.007 52.037 0.170 0.000 0.623 33 A CB -0.754 18.354 19.000 0.180 0.000 0.818 33 A HN 0.461 nan 8.150 nan 0.000 0.443 34 R N -0.328 120.212 120.500 0.067 0.000 2.096 34 R HA -0.040 4.300 4.340 0.000 0.000 0.235 34 R C 1.914 178.209 176.300 -0.008 0.000 1.127 34 R CA 1.432 57.550 56.100 0.029 0.000 0.968 34 R CB -0.378 29.925 30.300 0.006 0.000 0.861 34 R HN 0.518 nan 8.270 nan 0.000 0.440 35 L N 0.207 121.390 121.223 -0.067 0.000 2.056 35 L HA -0.122 4.218 4.340 0.000 0.000 0.207 35 L C 2.912 179.739 176.870 -0.072 0.000 1.078 35 L CA 1.379 56.040 54.840 -0.298 0.000 0.749 35 L CB -0.518 41.248 42.059 -0.487 0.000 0.901 35 L HN 0.270 nan 8.230 nan 0.000 0.433 36 R N 0.456 120.989 120.500 0.055 0.000 2.127 36 R HA -0.180 4.160 4.340 0.000 0.000 0.238 36 R C 2.233 178.612 176.300 0.131 0.000 1.134 36 R CA 1.360 57.540 56.100 0.133 0.000 0.975 36 R CB -0.180 30.193 30.300 0.122 0.000 0.865 36 R HN 0.354 nan 8.270 nan 0.000 0.447 37 A N 0.783 123.663 122.820 0.100 0.000 2.019 37 A HA -0.167 4.153 4.320 0.000 0.000 0.219 37 A C 1.709 179.354 177.584 0.103 0.000 1.164 37 A CA 1.504 53.594 52.037 0.089 0.000 0.644 37 A CB -0.203 18.839 19.000 0.070 0.000 0.805 37 A HN 0.506 nan 8.150 nan 0.000 0.449 38 E N -1.581 118.704 120.200 0.142 0.000 2.190 38 E HA 0.358 4.708 4.350 0.000 0.000 0.191 38 E C 0.937 177.649 176.600 0.185 0.000 0.978 38 E CA 0.344 56.847 56.400 0.172 0.000 0.839 38 E CB 0.207 30.045 29.700 0.230 0.000 0.787 38 E HN 0.599 nan 8.360 nan 0.000 0.473 39 G N 0.115 109.064 108.800 0.249 0.000 2.320 39 G HA2 -0.002 3.958 3.960 0.000 0.000 0.297 39 G HA3 -0.002 3.958 3.960 0.000 0.000 0.297 39 G C -2.613 172.404 174.900 0.195 0.000 1.344 39 G CA -0.739 44.447 45.100 0.143 0.000 0.851 39 G HN -0.248 nan 8.290 nan 0.000 0.567 40 P HA 0.300 nan 4.420 nan 0.000 0.227 40 P C 0.529 177.876 177.300 0.079 0.000 1.161 40 P CA 1.431 64.576 63.100 0.074 0.000 0.788 40 P CB 0.640 32.349 31.700 0.015 0.000 0.822 41 A N 0.239 123.014 122.820 -0.075 0.000 2.374 41 A HA 0.665 4.986 4.320 0.000 0.000 0.305 41 A C -0.994 176.501 177.584 -0.148 0.000 1.053 41 A CA -0.496 51.553 52.037 0.020 0.000 0.726 41 A CB 0.989 20.004 19.000 0.024 0.000 1.229 41 A HN 0.068 nan 8.150 nan 0.000 0.431 42 H N 1.715 120.999 119.070 0.356 0.000 2.856 42 H HA 0.291 4.847 4.556 0.000 0.000 0.355 42 H C -0.641 174.651 175.328 -0.060 0.000 1.079 42 H CA -0.674 55.472 56.048 0.163 0.000 1.240 42 H CB 1.695 31.507 29.762 0.083 0.000 1.701 42 H HN 0.706 nan 8.280 nan 0.000 0.527 43 R N 1.853 122.130 120.500 -0.372 0.000 2.401 43 R HA 0.310 4.650 4.340 0.000 0.000 0.299 43 R C 0.151 176.292 176.300 -0.265 0.000 1.064 43 R CA -0.298 55.419 56.100 -0.637 0.000 1.000 43 R CB 0.791 30.611 30.300 -0.801 0.000 0.973 43 R HN 0.389 nan 8.270 nan 0.000 0.438 44 V N 0.233 120.016 119.914 -0.219 0.000 3.141 44 V HA 0.648 4.768 4.120 0.000 0.000 0.312 44 V C -0.747 175.273 176.094 -0.123 0.000 1.157 44 V CA -1.279 60.944 62.300 -0.129 0.000 1.041 44 V CB 2.218 34.003 31.823 -0.063 0.000 1.071 44 V HN 0.812 nan 8.190 nan 0.000 0.441 45 R N 1.518 121.961 120.500 -0.096 0.000 2.437 45 R HA 0.637 4.977 4.340 0.000 0.000 0.310 45 R C 0.006 176.280 176.300 -0.044 0.000 0.955 45 R CA 0.225 56.288 56.100 -0.062 0.000 0.851 45 R CB 1.724 31.989 30.300 -0.058 0.000 1.161 45 R HN 1.157 nan 8.270 nan 0.000 0.446 46 T N 1.600 116.156 114.554 0.004 0.000 2.828 46 T HA 0.241 4.592 4.350 0.000 0.000 0.290 46 T C -1.774 172.951 174.700 0.042 0.000 1.019 46 T CA -1.495 60.629 62.100 0.040 0.000 1.031 46 T CB 1.144 70.074 68.868 0.103 0.000 1.001 46 T HN 0.408 nan 8.240 nan 0.000 0.531 47 P HA 0.016 nan 4.420 nan 0.000 0.219 47 P C 1.646 179.004 177.300 0.096 0.000 1.146 47 P CA 1.688 64.834 63.100 0.076 0.000 0.808 47 P CB -0.271 31.504 31.700 0.125 0.000 0.779 48 E N -0.740 119.528 120.200 0.115 0.000 2.208 48 E HA 0.142 4.493 4.350 0.000 0.000 0.193 48 E C 1.594 178.244 176.600 0.084 0.000 0.988 48 E CA 1.207 57.675 56.400 0.113 0.000 0.828 48 E CB -1.358 28.423 29.700 0.136 0.000 0.763 48 E HN 0.303 nan 8.360 nan 0.000 0.478 49 G N -0.249 108.593 108.800 0.069 0.000 2.164 49 G HA2 -0.150 3.810 3.960 0.000 0.000 0.154 49 G HA3 -0.150 3.810 3.960 0.000 0.000 0.154 49 G C -0.064 174.865 174.900 0.048 0.000 1.014 49 G CA -0.075 45.053 45.100 0.047 0.000 0.683 49 G HN 0.486 nan 8.290 nan 0.000 0.500 50 N N 0.749 119.490 118.700 0.067 0.000 2.438 50 N HA 0.481 5.221 4.740 0.000 0.000 0.282 50 N C -0.316 175.210 175.510 0.026 0.000 1.037 50 N CA -0.530 52.563 53.050 0.072 0.000 0.942 50 N CB 1.293 39.862 38.487 0.138 0.000 1.136 50 N HN 0.325 nan 8.380 nan 0.000 0.481 51 E N 2.579 122.780 120.200 0.000 0.000 2.180 51 E HA 0.276 4.626 4.350 0.000 0.000 0.283 51 E C -0.800 175.754 176.600 -0.078 0.000 1.061 51 E CA -0.641 55.722 56.400 -0.061 0.000 0.861 51 E CB 0.352 30.007 29.700 -0.074 0.000 1.056 51 E HN 0.343 nan 8.360 nan 0.000 0.407 52 V N 1.229 121.071 119.914 -0.121 0.000 3.160 52 V HA 0.688 4.808 4.120 0.000 0.000 0.310 52 V C -1.097 174.906 176.094 -0.151 0.000 1.181 52 V CA -1.296 60.943 62.300 -0.102 0.000 1.047 52 V CB 1.031 32.792 31.823 -0.104 0.000 1.068 52 V HN 0.652 nan 8.190 nan 0.000 0.441 53 W N 1.126 122.395 121.300 -0.052 0.000 2.417 53 W HA 0.790 5.450 4.660 0.000 0.000 0.317 53 W C -0.329 176.176 176.519 -0.023 0.000 1.121 53 W CA -0.492 56.843 57.345 -0.017 0.000 1.208 53 W CB 1.294 30.748 29.460 -0.010 0.000 1.253 53 W HN 0.506 nan 8.180 nan 0.000 0.533 54 L N 3.548 124.920 121.223 0.248 0.000 2.309 54 L HA 0.591 4.931 4.340 0.000 0.000 0.282 54 L C -0.363 176.609 176.870 0.171 0.000 1.036 54 L CA -1.271 53.661 54.840 0.154 0.000 0.806 54 L CB 1.118 43.261 42.059 0.140 0.000 1.220 54 L HN 0.029 nan 8.230 nan 0.000 0.429 55 V N 3.841 123.780 119.914 0.043 0.000 2.417 55 V HA 0.468 4.588 4.120 0.000 0.000 0.291 55 V C 0.028 176.102 176.094 -0.033 0.000 1.024 55 V CA -0.550 61.751 62.300 0.002 0.000 0.861 55 V CB 1.977 33.729 31.823 -0.117 0.000 0.985 55 V HN 0.554 nan 8.190 nan 0.000 0.436 56 V N 1.615 121.546 119.914 0.028 0.000 3.046 56 V HA 1.112 5.232 4.120 0.000 0.000 0.316 56 V C 0.105 176.214 176.094 0.024 0.000 1.104 56 V CA -0.397 61.906 62.300 0.005 0.000 1.006 56 V CB 1.292 33.152 31.823 0.062 0.000 1.058 56 V HN 1.706 nan 8.190 nan 0.000 0.440 57 G N 0.461 109.280 108.800 0.032 0.000 3.055 57 G HA2 -0.197 3.764 3.960 0.000 0.000 0.686 57 G HA3 -0.197 3.764 3.960 0.000 0.000 0.686 57 G C -0.620 174.312 174.900 0.053 0.000 1.087 57 G CA 0.239 45.381 45.100 0.069 0.000 0.779 57 G HN 1.878 nan 8.290 nan 0.000 0.599 58 Y N 1.477 121.784 120.300 0.013 0.000 2.097 58 Y HA -0.172 4.378 4.550 0.000 0.000 0.282 58 Y C 2.444 178.331 175.900 -0.021 0.000 1.152 58 Y CA 2.724 60.831 58.100 0.012 0.000 1.136 58 Y CB 0.072 38.554 38.460 0.036 0.000 0.975 58 Y HN 0.621 nan 8.280 nan 0.000 0.498 59 D N -0.311 120.163 120.400 0.123 0.000 2.117 59 D HA -0.170 4.470 4.640 0.000 0.000 0.197 59 D C 2.236 178.479 176.300 -0.094 0.000 0.987 59 D CA 1.420 55.439 54.000 0.031 0.000 0.829 59 D CB -0.315 40.530 40.800 0.075 0.000 0.961 59 D HN 0.202 nan 8.370 nan 0.000 0.460 60 R N 1.044 121.502 120.500 -0.070 0.000 2.075 60 R HA 0.030 4.370 4.340 0.000 0.000 0.232 60 R C 1.991 178.191 176.300 -0.165 0.000 1.126 60 R CA 1.567 57.611 56.100 -0.093 0.000 0.963 60 R CB -0.761 29.504 30.300 -0.058 0.000 0.858 60 R HN 0.072 nan 8.270 nan 0.000 0.435 61 A N 0.643 123.345 122.820 -0.197 0.000 1.883 61 A HA -0.214 4.107 4.320 0.000 0.000 0.217 61 A C 2.263 179.688 177.584 -0.265 0.000 1.186 61 A CA 1.796 53.688 52.037 -0.243 0.000 0.624 61 A CB -0.662 18.186 19.000 -0.254 0.000 0.822 61 A HN 0.418 nan 8.150 nan 0.000 0.444 62 R N -0.460 119.816 120.500 -0.373 0.000 2.083 62 R HA -0.120 4.220 4.340 0.000 0.000 0.237 62 R C 2.323 178.564 176.300 -0.097 0.000 1.137 62 R CA 1.593 57.500 56.100 -0.321 0.000 0.951 62 R CB -0.456 29.522 30.300 -0.537 0.000 0.851 62 R HN 0.444 nan 8.270 nan 0.000 0.434 63 A N 0.158 122.911 122.820 -0.111 0.000 1.877 63 A HA -0.121 4.199 4.320 0.000 0.000 0.216 63 A C 2.275 179.810 177.584 -0.081 0.000 1.186 63 A CA 1.740 53.749 52.037 -0.046 0.000 0.620 63 A CB -0.615 18.355 19.000 -0.049 0.000 0.822 63 A HN 0.246 nan 8.150 nan 0.000 0.443 64 V N 0.115 119.907 119.914 -0.203 0.000 2.427 64 V HA -0.226 3.894 4.120 0.000 0.000 0.248 64 V C 2.529 178.444 176.094 -0.298 0.000 1.051 64 V CA 1.721 63.773 62.300 -0.414 0.000 1.048 64 V CB -0.752 30.650 31.823 -0.701 0.000 0.666 64 V HN 0.564 nan 8.190 nan 0.000 0.456 65 L N 0.201 121.323 121.223 -0.167 0.000 2.081 65 L HA -0.202 4.138 4.340 0.000 0.000 0.212 65 L C 2.296 179.151 176.870 -0.024 0.000 1.080 65 L CA 1.816 56.614 54.840 -0.071 0.000 0.754 65 L CB -0.519 41.558 42.059 0.030 0.000 0.893 65 L HN 0.403 nan 8.230 nan 0.000 0.433 66 A N -2.035 120.785 122.820 -0.000 0.000 2.348 66 A HA 0.009 4.329 4.320 0.000 0.000 0.224 66 A C 0.440 178.020 177.584 -0.005 0.000 1.227 66 A CA -0.229 51.776 52.037 -0.054 0.000 0.885 66 A CB -0.130 18.789 19.000 -0.134 0.000 0.933 66 A HN 0.215 nan 8.150 nan 0.000 0.506 67 D N 1.001 121.423 120.400 0.037 0.000 2.325 67 D HA 0.208 4.848 4.640 0.000 0.000 0.251 67 D C -1.649 174.742 176.300 0.153 0.000 1.196 67 D CA -2.036 52.033 54.000 0.114 0.000 0.866 67 D CB 1.383 42.306 40.800 0.206 0.000 1.101 67 D HN 0.072 nan 8.370 nan 0.000 0.476 68 P HA -0.040 nan 4.420 nan 0.000 0.234 68 P C 0.998 178.318 177.300 0.033 0.000 1.167 68 P CA 0.390 63.522 63.100 0.052 0.000 0.763 68 P CB 0.310 32.020 31.700 0.017 0.000 0.835 69 R N -1.028 119.489 120.500 0.027 0.000 2.193 69 R HA -0.005 4.335 4.340 0.000 0.000 0.229 69 R C 0.308 176.433 176.300 -0.292 0.000 1.110 69 R CA 0.698 56.714 56.100 -0.140 0.000 0.988 69 R CB -0.386 29.782 30.300 -0.219 0.000 0.871 69 R HN 0.228 nan 8.270 nan 0.000 0.458 70 F N 0.570 120.485 119.950 -0.058 0.000 2.313 70 F HA 0.203 4.731 4.527 0.000 0.000 0.369 70 F C 0.587 176.345 175.800 -0.070 0.000 1.109 70 F CA -0.507 57.445 58.000 -0.081 0.000 1.132 70 F CB 1.278 40.210 39.000 -0.114 0.000 1.291 70 F HN -0.186 nan 8.300 nan 0.000 0.496 71 S N 2.433 118.175 115.700 0.071 0.000 2.632 71 S HA 0.328 4.799 4.470 0.000 0.000 0.267 71 S C 0.941 175.559 174.600 0.030 0.000 1.276 71 S CA -0.512 57.735 58.200 0.078 0.000 0.998 71 S CB 0.908 64.171 63.200 0.106 0.000 0.953 71 S HN 0.723 nan 8.310 nan 0.000 0.547 72 K N 0.712 121.130 120.400 0.030 0.000 2.374 72 K HA 0.157 4.478 4.320 0.000 0.000 0.202 72 K C -0.443 176.221 176.600 0.107 0.000 1.040 72 K CA -0.251 55.994 56.287 -0.069 0.000 1.085 72 K CB 0.267 32.637 32.500 -0.216 0.000 0.873 72 K HN 0.555 nan 8.250 nan 0.000 0.539 73 D N -0.060 120.443 120.400 0.171 0.000 2.317 73 D HA -0.014 4.626 4.640 0.000 0.000 0.252 73 D C 0.334 176.707 176.300 0.121 0.000 1.174 73 D CA -0.272 53.828 54.000 0.166 0.000 0.866 73 D CB 0.507 41.378 40.800 0.118 0.000 1.127 73 D HN 0.042 nan 8.370 nan 0.000 0.467 74 W N 3.301 124.634 121.300 0.056 0.000 2.424 74 W HA -0.066 4.594 4.660 0.000 0.000 0.264 74 W C 2.233 178.612 176.519 -0.233 0.000 1.229 74 W CA 0.106 57.344 57.345 -0.179 0.000 1.208 74 W CB -0.062 29.338 29.460 -0.100 0.000 1.127 74 W HN 0.404 nan 8.180 nan 0.000 0.588 75 R N 0.023 120.559 120.500 0.060 0.000 2.237 75 R HA -0.098 4.242 4.340 0.000 0.000 0.219 75 R C 1.207 177.474 176.300 -0.055 0.000 1.080 75 R CA 0.930 57.034 56.100 0.006 0.000 0.995 75 R CB -0.343 29.969 30.300 0.020 0.000 0.875 75 R HN 0.187 nan 8.270 nan 0.000 0.462 76 N N -0.034 118.603 118.700 -0.105 0.000 2.336 76 N HA -0.026 4.715 4.740 0.000 0.000 0.189 76 N C 0.002 175.347 175.510 -0.275 0.000 1.113 76 N CA 0.262 53.240 53.050 -0.120 0.000 0.858 76 N CB 0.720 39.199 38.487 -0.014 0.000 0.970 76 N HN -0.034 nan 8.380 nan 0.000 0.471 77 S N -0.003 115.362 115.700 -0.558 0.000 2.541 77 S HA 0.218 4.688 4.470 0.000 0.000 0.283 77 S C 1.321 175.766 174.600 -0.260 0.000 1.196 77 S CA -0.573 57.170 58.200 -0.761 0.000 1.062 77 S CB 0.998 63.239 63.200 -1.599 0.000 1.009 77 S HN 0.316 nan 8.310 nan 0.000 0.502 78 T N 1.016 115.491 114.554 -0.133 0.000 3.148 78 T HA 0.127 4.477 4.350 0.000 0.000 0.253 78 T C 0.590 175.309 174.700 0.032 0.000 1.134 78 T CA 0.055 62.139 62.100 -0.027 0.000 1.051 78 T CB -0.524 68.346 68.868 0.004 0.000 0.959 78 T HN 0.528 nan 8.240 nan 0.000 0.525 79 T N 5.207 119.806 114.554 0.074 0.000 2.794 79 T HA 0.400 4.751 4.350 0.000 0.000 0.296 79 T C -2.333 172.480 174.700 0.189 0.000 0.949 79 T CA -1.057 61.160 62.100 0.194 0.000 1.101 79 T CB 1.020 70.119 68.868 0.385 0.000 0.905 79 T HN 0.267 nan 8.240 nan 0.000 0.516 80 P HA 0.333 nan 4.420 nan 0.000 0.274 80 P C -0.728 176.558 177.300 -0.024 0.000 1.231 80 P CA -0.474 62.649 63.100 0.038 0.000 0.790 80 P CB 0.737 32.449 31.700 0.019 0.000 0.951 81 L N 1.199 122.353 121.223 -0.117 0.000 2.334 81 L HA 0.391 4.731 4.340 0.000 0.000 0.276 81 L C 1.192 177.966 176.870 -0.160 0.000 1.014 81 L CA -0.745 53.950 54.840 -0.242 0.000 0.815 81 L CB 1.802 43.621 42.059 -0.400 0.000 1.268 81 L HN 0.445 nan 8.230 nan 0.000 0.428 82 T N -2.683 111.776 114.554 -0.159 0.000 2.813 82 T HA 0.026 4.377 4.350 0.000 0.000 0.297 82 T C 0.953 175.577 174.700 -0.127 0.000 1.036 82 T CA -0.413 61.618 62.100 -0.115 0.000 1.044 82 T CB 1.198 70.006 68.868 -0.099 0.000 0.993 82 T HN 0.791 nan 8.240 nan 0.000 0.535 83 E N 0.752 120.897 120.200 -0.092 0.000 2.085 83 E HA -0.216 4.135 4.350 0.000 0.000 0.194 83 E C 2.241 178.777 176.600 -0.106 0.000 0.994 83 E CA 1.289 57.638 56.400 -0.086 0.000 0.801 83 E CB -0.565 29.098 29.700 -0.062 0.000 0.743 83 E HN 0.819 nan 8.360 nan 0.000 0.453 84 A N 0.878 123.630 122.820 -0.113 0.000 1.930 84 A HA -0.196 4.125 4.320 0.000 0.000 0.217 84 A C 1.923 179.396 177.584 -0.184 0.000 1.175 84 A CA 1.575 53.532 52.037 -0.133 0.000 0.627 84 A CB -0.432 18.497 19.000 -0.118 0.000 0.815 84 A HN 0.337 nan 8.150 nan 0.000 0.443 85 E N -0.246 119.827 120.200 -0.211 0.000 2.047 85 E HA -0.078 4.272 4.350 0.000 0.000 0.191 85 E C 2.284 178.711 176.600 -0.288 0.000 0.987 85 E CA 0.997 57.224 56.400 -0.289 0.000 0.799 85 E CB -0.281 29.208 29.700 -0.352 0.000 0.752 85 E HN 0.600 nan 8.360 nan 0.000 0.449 86 A N 1.231 123.908 122.820 -0.238 0.000 1.972 86 A HA -0.086 4.234 4.320 0.000 0.000 0.219 86 A C 2.327 179.869 177.584 -0.069 0.000 1.169 86 A CA 1.477 53.407 52.037 -0.179 0.000 0.635 86 A CB -0.546 18.379 19.000 -0.125 0.000 0.810 86 A HN 0.289 nan 8.150 nan 0.000 0.446 87 A N -0.721 122.046 122.820 -0.088 0.000 2.070 87 A HA 0.096 4.416 4.320 0.000 0.000 0.220 87 A C 1.830 179.384 177.584 -0.050 0.000 1.159 87 A CA 1.315 53.317 52.037 -0.058 0.000 0.656 87 A CB -0.366 18.576 19.000 -0.095 0.000 0.800 87 A HN 0.479 nan 8.150 nan 0.000 0.453 88 L N -0.222 120.927 121.223 -0.122 0.000 2.693 88 L HA 0.072 4.412 4.340 0.000 0.000 0.235 88 L C 1.531 178.395 176.870 -0.011 0.000 1.127 88 L CA 0.352 55.086 54.840 -0.177 0.000 0.914 88 L CB -0.066 41.653 42.059 -0.567 0.000 1.193 88 L HN 0.501 nan 8.230 nan 0.000 0.502 89 N N -1.344 117.366 118.700 0.017 0.000 2.398 89 N HA -0.119 4.622 4.740 0.000 0.000 0.188 89 N C 0.349 175.892 175.510 0.054 0.000 1.122 89 N CA 0.193 53.260 53.050 0.027 0.000 0.866 89 N CB -0.387 38.030 38.487 -0.116 0.000 0.970 89 N HN 0.261 nan 8.380 nan 0.000 0.462 90 H N 0.438 119.549 119.070 0.069 0.000 2.768 90 H HA 0.278 4.834 4.556 0.000 0.000 0.219 90 H C -0.404 174.986 175.328 0.104 0.000 1.898 90 H CA -0.554 55.545 56.048 0.086 0.000 1.313 90 H CB -0.811 28.983 29.762 0.054 0.000 1.701 90 H HN 0.533 nan 8.280 nan 0.000 0.534 91 N N -0.834 117.984 118.700 0.195 0.000 2.509 91 N HA 0.130 4.871 4.740 0.000 0.000 0.280 91 N C 1.091 176.706 175.510 0.175 0.000 1.306 91 N CA -1.044 52.111 53.050 0.175 0.000 0.782 91 N CB 1.089 39.684 38.487 0.181 0.000 1.493 91 N HN 0.166 nan 8.380 nan 0.000 0.498 92 M N -0.954 118.741 119.600 0.158 0.000 2.296 92 M HA 0.044 4.524 4.480 0.000 0.000 0.265 92 M C 0.789 177.329 176.300 0.400 0.000 1.064 92 M CA 1.351 56.788 55.300 0.229 0.000 1.109 92 M CB -0.300 32.355 32.600 0.091 0.000 1.396 92 M HN 0.482 nan 8.290 nan 0.000 0.430 93 L N 1.460 122.828 121.223 0.242 0.000 2.291 93 L HA 0.065 4.405 4.340 0.000 0.000 0.214 93 L C 0.955 177.840 176.870 0.024 0.000 1.120 93 L CA 1.650 56.567 54.840 0.129 0.000 0.799 93 L CB -0.390 41.697 42.059 0.048 0.000 0.925 93 L HN 0.393 nan 8.230 nan 0.000 0.446 94 E N -0.696 119.592 120.200 0.146 0.000 2.542 94 E HA 0.273 4.623 4.350 0.000 0.000 0.224 94 E C -0.443 176.278 176.600 0.200 0.000 1.110 94 E CA -0.159 56.351 56.400 0.183 0.000 1.350 94 E CB 0.275 30.164 29.700 0.316 0.000 1.302 94 E HN 0.203 nan 8.360 nan 0.000 0.435 95 S N 0.440 116.273 115.700 0.221 0.000 2.564 95 S HA 0.351 4.821 4.470 0.000 0.000 0.274 95 S C -0.992 173.780 174.600 0.287 0.000 1.124 95 S CA -1.024 57.321 58.200 0.242 0.000 0.869 95 S CB 2.042 65.403 63.200 0.268 0.000 1.105 95 S HN 0.100 nan 8.310 nan 0.000 0.472 96 D N 1.283 121.807 120.400 0.206 0.000 2.384 96 D HA 0.508 5.148 4.640 0.000 0.000 0.250 96 D C -2.711 173.684 176.300 0.158 0.000 1.029 96 D CA -1.769 52.328 54.000 0.162 0.000 0.990 96 D CB 0.466 41.331 40.800 0.107 0.000 1.175 96 D HN 0.111 nan 8.370 nan 0.000 0.532 97 P HA 0.090 nan 4.420 nan 0.000 0.266 97 P C -1.560 175.784 177.300 0.074 0.000 1.195 97 P CA -0.650 62.510 63.100 0.099 0.000 0.768 97 P CB 0.202 31.938 31.700 0.059 0.000 0.838 98 P HA 0.070 nan 4.420 nan 0.000 0.239 98 P C 1.389 178.733 177.300 0.073 0.000 1.188 98 P CA 0.582 63.719 63.100 0.063 0.000 0.794 98 P CB 0.409 32.135 31.700 0.044 0.000 0.937 99 R N 0.079 120.634 120.500 0.090 0.000 2.091 99 R HA -0.198 4.142 4.340 0.000 0.000 0.238 99 R C 2.634 178.990 176.300 0.094 0.000 1.136 99 R CA 1.383 57.539 56.100 0.092 0.000 0.959 99 R CB -0.904 29.460 30.300 0.107 0.000 0.856 99 R HN 0.221 nan 8.270 nan 0.000 0.437 100 H N -0.166 118.939 119.070 0.059 0.000 2.319 100 H HA -0.107 4.449 4.556 0.000 0.000 0.299 100 H C 1.288 176.625 175.328 0.015 0.000 1.092 100 H CA 2.232 58.309 56.048 0.048 0.000 1.302 100 H CB -0.021 29.748 29.762 0.012 0.000 1.373 100 H HN 0.264 nan 8.280 nan 0.000 0.497 101 T N 0.907 115.445 114.554 -0.027 0.000 2.746 101 T HA -0.138 4.212 4.350 0.000 0.000 0.267 101 T C 2.159 176.805 174.700 -0.090 0.000 1.039 101 T CA 1.463 63.528 62.100 -0.058 0.000 1.142 101 T CB -0.189 68.699 68.868 0.033 0.000 0.866 101 T HN 0.373 nan 8.240 nan 0.000 0.444 102 R N 0.755 121.230 120.500 -0.042 0.000 2.081 102 R HA 0.016 4.356 4.340 0.000 0.000 0.235 102 R C 2.348 178.624 176.300 -0.040 0.000 1.131 102 R CA 1.136 57.222 56.100 -0.023 0.000 0.960 102 R CB -0.417 29.887 30.300 0.007 0.000 0.856 102 R HN 0.354 nan 8.270 nan 0.000 0.436 103 L N -0.011 121.175 121.223 -0.060 0.000 2.027 103 L HA -0.078 4.263 4.340 0.000 0.000 0.206 103 L C 2.898 179.719 176.870 -0.082 0.000 1.074 103 L CA 1.396 56.208 54.840 -0.046 0.000 0.745 103 L CB -0.454 41.595 42.059 -0.016 0.000 0.898 103 L HN 0.232 nan 8.230 nan 0.000 0.433 104 R N 0.699 121.075 120.500 -0.206 0.000 2.096 104 R HA -0.173 4.167 4.340 0.000 0.000 0.235 104 R C 2.253 178.514 176.300 -0.065 0.000 1.127 104 R CA 1.361 57.357 56.100 -0.173 0.000 0.968 104 R CB 0.006 30.113 30.300 -0.322 0.000 0.861 104 R HN 0.229 nan 8.270 nan 0.000 0.440 105 K N -0.050 120.313 120.400 -0.061 0.000 2.211 105 K HA -0.134 4.187 4.320 0.000 0.000 0.204 105 K C 1.738 178.341 176.600 0.006 0.000 1.047 105 K CA 0.859 57.136 56.287 -0.017 0.000 0.935 105 K CB -0.043 32.447 32.500 -0.016 0.000 0.728 105 K HN 0.107 nan 8.250 nan 0.000 0.452 106 L N 0.002 121.229 121.223 0.007 0.000 2.191 106 L HA -0.120 4.220 4.340 0.000 0.000 0.212 106 L C 1.902 178.800 176.870 0.047 0.000 1.103 106 L CA 1.530 56.384 54.840 0.024 0.000 0.769 106 L CB -0.354 41.720 42.059 0.026 0.000 0.908 106 L HN 0.109 nan 8.230 nan 0.000 0.438 107 V N -6.140 113.820 119.914 0.077 0.000 3.398 107 V HA 0.455 4.575 4.120 0.000 0.000 0.298 107 V C 2.018 178.240 176.094 0.215 0.000 1.496 107 V CA 0.349 62.740 62.300 0.152 0.000 1.044 107 V CB -0.380 31.589 31.823 0.244 0.000 0.880 107 V HN 0.066 nan 8.190 nan 0.000 0.443 108 A N 3.101 126.001 122.820 0.134 0.000 1.917 108 A HA -0.224 4.096 4.320 0.000 0.000 0.219 108 A C 2.359 180.018 177.584 0.124 0.000 1.182 108 A CA 2.528 54.648 52.037 0.139 0.000 0.633 108 A CB -0.575 18.466 19.000 0.069 0.000 0.819 108 A HN 0.778 nan 8.150 nan 0.000 0.448 109 R N -0.742 119.794 120.500 0.060 0.000 2.193 109 R HA -0.079 4.261 4.340 0.000 0.000 0.229 109 R C 1.065 177.344 176.300 -0.035 0.000 1.110 109 R CA 1.357 57.467 56.100 0.017 0.000 0.988 109 R CB -0.457 29.842 30.300 -0.002 0.000 0.871 109 R HN 0.415 nan 8.270 nan 0.000 0.458 110 E N 0.512 120.658 120.200 -0.091 0.000 2.347 110 E HA -0.063 4.287 4.350 0.000 0.000 0.196 110 E C 0.719 176.995 176.600 -0.539 0.000 1.008 110 E CA 0.823 57.008 56.400 -0.359 0.000 0.852 110 E CB 0.031 29.380 29.700 -0.586 0.000 0.783 110 E HN 0.455 nan 8.360 nan 0.000 0.505 111 F N 0.611 120.558 119.950 -0.006 0.000 2.688 111 F HA 0.062 4.589 4.527 0.000 0.000 0.310 111 F C 0.998 176.793 175.800 -0.008 0.000 1.098 111 F CA -0.426 57.568 58.000 -0.009 0.000 1.228 111 F CB 0.396 39.389 39.000 -0.012 0.000 1.042 111 F HN -0.228 nan 8.300 nan 0.000 0.557 112 T N -2.172 112.442 114.554 0.099 0.000 2.856 112 T HA -0.011 4.339 4.350 0.000 0.000 0.306 112 T C 1.480 176.208 174.700 0.047 0.000 1.062 112 T CA -0.481 61.659 62.100 0.067 0.000 1.083 112 T CB 1.129 70.018 68.868 0.035 0.000 0.984 112 T HN 0.288 nan 8.240 nan 0.000 0.542 113 M N 0.649 120.273 119.600 0.040 0.000 2.106 113 M HA -0.145 4.336 4.480 0.000 0.000 0.259 113 M C 2.671 178.981 176.300 0.018 0.000 1.068 113 M CA 1.894 57.212 55.300 0.029 0.000 1.100 113 M CB -0.281 32.334 32.600 0.025 0.000 1.351 113 M HN 0.856 nan 8.290 nan 0.000 0.404 114 R N -0.198 120.309 120.500 0.011 0.000 2.073 114 R HA -0.229 4.111 4.340 0.000 0.000 0.234 114 R C 2.147 178.443 176.300 -0.007 0.000 1.134 114 R CA 2.007 58.108 56.100 0.003 0.000 0.952 114 R CB -0.322 29.978 30.300 0.001 0.000 0.850 114 R HN 0.202 nan 8.270 nan 0.000 0.433 115 R N 0.416 120.906 120.500 -0.016 0.000 2.075 115 R HA -0.021 4.320 4.340 0.000 0.000 0.232 115 R C 2.126 178.401 176.300 -0.041 0.000 1.126 115 R CA 1.563 57.639 56.100 -0.040 0.000 0.963 115 R CB -0.662 29.596 30.300 -0.070 0.000 0.858 115 R HN 0.166 nan 8.270 nan 0.000 0.435 116 V N 0.890 120.791 119.914 -0.022 0.000 2.490 116 V HA -0.181 3.939 4.120 0.000 0.000 0.250 116 V C 2.105 178.201 176.094 0.003 0.000 1.061 116 V CA 2.072 64.369 62.300 -0.005 0.000 1.064 116 V CB -0.501 31.342 31.823 0.035 0.000 0.670 116 V HN 0.389 nan 8.190 nan 0.000 0.461 117 E N 0.307 120.509 120.200 0.004 0.000 2.204 117 E HA -0.162 4.188 4.350 0.000 0.000 0.195 117 E C 1.962 178.562 176.600 0.001 0.000 0.990 117 E CA 1.055 57.459 56.400 0.007 0.000 0.821 117 E CB -0.346 29.359 29.700 0.008 0.000 0.750 117 E HN 0.592 nan 8.360 nan 0.000 0.477 118 L N -0.043 121.175 121.223 -0.008 0.000 2.265 118 L HA -0.133 4.207 4.340 0.000 0.000 0.215 118 L C 1.921 178.785 176.870 -0.009 0.000 1.117 118 L CA 0.694 55.527 54.840 -0.011 0.000 0.782 118 L CB -0.342 41.705 42.059 -0.020 0.000 0.914 118 L HN 0.241 nan 8.230 nan 0.000 0.441 119 L N -0.748 120.470 121.223 -0.008 0.000 2.554 119 L HA -0.051 4.289 4.340 0.000 0.000 0.226 119 L C 2.597 179.471 176.870 0.007 0.000 1.137 119 L CA 0.182 55.020 54.840 -0.003 0.000 0.863 119 L CB -0.528 41.531 42.059 -0.001 0.000 0.985 119 L HN 0.269 nan 8.230 nan 0.000 0.451 120 R N 1.483 121.987 120.500 0.008 0.000 2.096 120 R HA -0.177 4.163 4.340 0.000 0.000 0.240 120 R C -0.450 175.856 176.300 0.010 0.000 1.139 120 R CA 1.845 57.952 56.100 0.012 0.000 0.952 120 R CB -1.156 29.151 30.300 0.012 0.000 0.854 120 R HN 0.195 nan 8.270 nan 0.000 0.436 121 P HA -0.161 nan 4.420 nan 0.000 0.215 121 P C 0.806 178.110 177.300 0.007 0.000 1.153 121 P CA 1.379 64.483 63.100 0.006 0.000 0.853 121 P CB -0.107 31.595 31.700 0.004 0.000 0.788 122 R N -0.055 120.449 120.500 0.008 0.000 2.075 122 R HA -0.066 4.274 4.340 0.000 0.000 0.232 122 R C 1.917 178.225 176.300 0.014 0.000 1.126 122 R CA 1.511 57.617 56.100 0.010 0.000 0.963 122 R CB -1.528 28.777 30.300 0.009 0.000 0.858 122 R HN -0.019 nan 8.270 nan 0.000 0.435 123 V N 0.798 120.723 119.914 0.017 0.000 2.343 123 V HA -0.234 3.886 4.120 0.000 0.000 0.247 123 V C 2.346 178.451 176.094 0.018 0.000 1.051 123 V CA 2.122 64.435 62.300 0.022 0.000 1.036 123 V CB -0.638 31.202 31.823 0.028 0.000 0.654 123 V HN 0.380 nan 8.190 nan 0.000 0.451 124 Q N 0.518 120.326 119.800 0.014 0.000 2.135 124 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 124 Q C 2.193 178.196 176.000 0.006 0.000 0.981 124 Q CA 2.352 58.161 55.803 0.009 0.000 0.856 124 Q CB -0.339 28.403 28.738 0.007 0.000 0.902 124 Q HN 0.754 nan 8.270 nan 0.000 0.425 125 E N -0.574 119.630 120.200 0.007 0.000 2.072 125 E HA -0.171 4.179 4.350 0.000 0.000 0.191 125 E C 1.860 178.464 176.600 0.007 0.000 0.985 125 E CA 1.244 57.648 56.400 0.006 0.000 0.801 125 E CB -0.175 29.529 29.700 0.007 0.000 0.750 125 E HN 0.517 nan 8.360 nan 0.000 0.452 126 I N 0.424 121.001 120.570 0.012 0.000 2.179 126 I HA -0.250 3.920 4.170 0.000 0.000 0.242 126 I C 2.407 178.531 176.117 0.011 0.000 1.088 126 I CA 0.691 62.000 61.300 0.015 0.000 1.357 126 I CB -0.183 37.831 38.000 0.023 0.000 1.051 126 I HN 0.068 nan 8.210 nan 0.000 0.409 127 V N 0.894 120.814 119.914 0.010 0.000 2.287 127 V HA -0.324 3.796 4.120 0.000 0.000 0.248 127 V C 2.120 178.208 176.094 -0.010 0.000 1.053 127 V CA 2.123 64.424 62.300 0.003 0.000 1.027 127 V CB -0.704 31.121 31.823 0.004 0.000 0.646 127 V HN 0.404 nan 8.190 nan 0.000 0.447 128 D N 0.637 121.031 120.400 -0.010 0.000 2.116 128 D HA -0.154 4.487 4.640 0.000 0.000 0.193 128 D C 2.157 178.445 176.300 -0.019 0.000 0.998 128 D CA 1.820 55.809 54.000 -0.018 0.000 0.836 128 D CB -0.642 40.151 40.800 -0.012 0.000 0.951 128 D HN 0.496 nan 8.370 nan 0.000 0.449 129 G N 0.054 108.848 108.800 -0.009 0.000 2.421 129 G HA2 -0.110 3.850 3.960 0.000 0.000 0.217 129 G HA3 -0.110 3.850 3.960 0.000 0.000 0.217 129 G C 1.782 176.676 174.900 -0.009 0.000 1.143 129 G CA 0.069 45.165 45.100 -0.007 0.000 0.784 129 G HN 0.242 nan 8.290 nan 0.000 0.541 130 L N 0.274 121.493 121.223 -0.007 0.000 2.093 130 L HA -0.041 4.299 4.340 0.000 0.000 0.208 130 L C 2.917 179.769 176.870 -0.030 0.000 1.085 130 L CA 0.365 55.201 54.840 -0.006 0.000 0.755 130 L CB -0.361 41.702 42.059 0.006 0.000 0.904 130 L HN 0.071 nan 8.230 nan 0.000 0.435 131 V N -0.464 119.420 119.914 -0.051 0.000 2.379 131 V HA -0.254 3.867 4.120 0.000 0.000 0.245 131 V C 2.089 178.120 176.094 -0.105 0.000 1.044 131 V CA 1.660 63.899 62.300 -0.102 0.000 1.036 131 V CB -0.503 31.253 31.823 -0.111 0.000 0.664 131 V HN 0.383 nan 8.190 nan 0.000 0.453 132 D N 0.908 121.270 120.400 -0.064 0.000 2.154 132 D HA -0.240 4.400 4.640 0.000 0.000 0.190 132 D C 2.197 178.480 176.300 -0.028 0.000 1.003 132 D CA 2.097 56.071 54.000 -0.044 0.000 0.849 132 D CB -0.450 40.337 40.800 -0.022 0.000 0.942 132 D HN 0.448 nan 8.370 nan 0.000 0.446 133 A N 0.269 123.079 122.820 -0.016 0.000 1.930 133 A HA -0.136 4.185 4.320 0.000 0.000 0.217 133 A C 2.200 179.796 177.584 0.020 0.000 1.175 133 A CA 1.615 53.656 52.037 0.007 0.000 0.627 133 A CB -0.572 18.435 19.000 0.011 0.000 0.815 133 A HN 0.262 nan 8.150 nan 0.000 0.443 134 M N -0.527 119.066 119.600 -0.012 0.000 2.132 134 M HA -0.032 4.448 4.480 0.000 0.000 0.263 134 M C 1.572 177.902 176.300 0.050 0.000 1.065 134 M CA 1.523 56.826 55.300 0.005 0.000 1.122 134 M CB -0.198 32.341 32.600 -0.101 0.000 1.365 134 M HN 0.379 nan 8.290 nan 0.000 0.411 135 L N -0.021 121.151 121.223 -0.084 0.000 2.551 135 L HA -0.027 4.313 4.340 0.000 0.000 0.228 135 L C 2.371 179.338 176.870 0.162 0.000 1.153 135 L CA 0.344 55.169 54.840 -0.025 0.000 0.851 135 L CB -0.757 41.200 42.059 -0.171 0.000 0.959 135 L HN 0.361 nan 8.230 nan 0.000 0.451 136 A N 0.438 123.329 122.820 0.118 0.000 2.168 136 A HA 0.185 4.505 4.320 0.000 0.000 0.215 136 A C 1.444 179.112 177.584 0.139 0.000 1.152 136 A CA 0.556 52.659 52.037 0.110 0.000 0.716 136 A CB -0.363 18.676 19.000 0.065 0.000 0.794 136 A HN 0.292 nan 8.150 nan 0.000 0.465 137 A N 1.120 124.067 122.820 0.211 0.000 2.522 137 A HA 0.408 4.728 4.320 0.000 0.000 0.256 137 A C -0.524 177.122 177.584 0.104 0.000 1.086 137 A CA -0.559 51.574 52.037 0.160 0.000 0.763 137 A CB 0.071 19.195 19.000 0.207 0.000 1.024 137 A HN 0.314 nan 8.150 nan 0.000 0.502 138 P HA -0.130 nan 4.420 nan 0.000 0.221 138 P C 0.463 177.743 177.300 -0.032 0.000 1.150 138 P CA 1.409 64.519 63.100 0.017 0.000 0.800 138 P CB 0.049 31.754 31.700 0.007 0.000 0.787 139 D N -1.053 119.304 120.400 -0.073 0.000 2.340 139 D HA 0.076 4.716 4.640 0.000 0.000 0.220 139 D C 1.343 177.462 176.300 -0.301 0.000 1.039 139 D CA 0.406 54.320 54.000 -0.143 0.000 0.866 139 D CB -1.143 39.583 40.800 -0.124 0.000 0.913 139 D HN 0.216 nan 8.370 nan 0.000 0.523 140 G N 0.630 109.195 108.800 -0.392 0.000 2.225 140 G HA2 -0.337 3.623 3.960 0.000 0.000 0.267 140 G HA3 -0.337 3.623 3.960 0.000 0.000 0.267 140 G C -0.025 173.926 174.900 -1.583 0.000 1.024 140 G CA 0.173 44.633 45.100 -1.066 0.000 0.784 140 G HN 0.504 nan 8.290 nan 0.000 0.507 141 R N -0.625 119.346 120.500 -0.882 0.000 2.686 141 R HA 0.839 5.179 4.340 0.000 0.000 0.286 141 R C -0.091 176.119 176.300 -0.149 0.000 0.969 141 R CA -0.044 55.729 56.100 -0.546 0.000 0.898 141 R CB 2.178 32.314 30.300 -0.274 0.000 1.183 141 R HN 0.789 nan 8.270 nan 0.000 0.456 142 A N 1.003 123.875 122.820 0.086 0.000 2.609 142 A HA 0.375 4.696 4.320 0.000 0.000 0.291 142 A C -1.799 175.865 177.584 0.133 0.000 1.096 142 A CA -0.755 51.404 52.037 0.204 0.000 0.684 142 A CB 1.885 21.121 19.000 0.394 0.000 1.282 142 A HN 0.636 nan 8.150 nan 0.000 0.412 143 D N 0.801 121.260 120.400 0.098 0.000 2.313 143 D HA 0.314 4.954 4.640 0.000 0.000 0.239 143 D C 0.782 177.141 176.300 0.097 0.000 1.142 143 D CA -0.446 53.597 54.000 0.072 0.000 0.847 143 D CB 1.147 41.974 40.800 0.045 0.000 1.082 143 D HN 0.305 nan 8.370 nan 0.000 0.480 144 L N 4.784 126.062 121.223 0.093 0.000 2.191 144 L HA -0.132 4.208 4.340 0.000 0.000 0.212 144 L C 1.763 178.693 176.870 0.100 0.000 1.103 144 L CA 1.499 56.392 54.840 0.089 0.000 0.769 144 L CB -0.385 41.717 42.059 0.072 0.000 0.908 144 L HN 0.535 nan 8.230 nan 0.000 0.438 145 M N -0.912 118.762 119.600 0.124 0.000 2.059 145 M HA -0.150 4.330 4.480 0.000 0.000 0.259 145 M C 2.112 178.610 176.300 0.330 0.000 1.072 145 M CA 1.540 56.989 55.300 0.248 0.000 1.117 145 M CB -1.438 31.376 32.600 0.356 0.000 1.320 145 M HN 0.213 nan 8.290 nan 0.000 0.408 146 E N 0.118 120.442 120.200 0.205 0.000 2.106 146 E HA -0.066 4.284 4.350 0.000 0.000 0.192 146 E C 2.218 178.887 176.600 0.116 0.000 0.984 146 E CA 1.175 57.652 56.400 0.128 0.000 0.806 146 E CB -0.363 29.366 29.700 0.049 0.000 0.750 146 E HN 0.414 nan 8.360 nan 0.000 0.458 147 S N -0.026 115.737 115.700 0.105 0.000 2.446 147 S HA 0.005 4.476 4.470 0.000 0.000 0.225 147 S C 1.707 176.348 174.600 0.068 0.000 1.016 147 S CA 0.621 58.867 58.200 0.077 0.000 0.943 147 S CB 0.253 63.498 63.200 0.075 0.000 0.786 147 S HN 0.128 nan 8.310 nan 0.000 0.508 148 L N -0.756 120.517 121.223 0.084 0.000 2.567 148 L HA 0.534 4.874 4.340 0.000 0.000 0.228 148 L C 1.801 178.714 176.870 0.071 0.000 1.046 148 L CA 0.894 55.771 54.840 0.062 0.000 1.013 148 L CB -0.922 41.154 42.059 0.029 0.000 1.944 148 L HN 0.049 nan 8.230 nan 0.000 0.510 149 A N -0.331 122.530 122.820 0.068 0.000 1.902 149 A HA -0.170 4.150 4.320 0.000 0.000 0.217 149 A C 1.865 179.436 177.584 -0.022 0.000 1.181 149 A CA 2.025 54.062 52.037 -0.000 0.000 0.623 149 A CB -1.114 17.855 19.000 -0.051 0.000 0.818 149 A HN 0.634 nan 8.150 nan 0.000 0.443 150 W N 0.349 121.657 121.300 0.012 0.000 2.413 150 W HA -0.030 4.631 4.660 0.000 0.000 0.315 150 W C -0.306 176.203 176.519 -0.016 0.000 1.186 150 W CA 1.788 59.130 57.345 -0.005 0.000 1.326 150 W CB -1.034 28.419 29.460 -0.012 0.000 1.153 150 W HN 0.303 nan 8.180 nan 0.000 0.489 151 P HA -0.147 nan 4.420 nan 0.000 0.219 151 P C 1.726 179.080 177.300 0.089 0.000 1.150 151 P CA 1.215 64.391 63.100 0.127 0.000 0.814 151 P CB -0.164 31.590 31.700 0.089 0.000 0.787 152 L N 1.343 122.612 121.223 0.078 0.000 1.976 152 L HA -0.020 4.320 4.340 0.000 0.000 0.209 152 L C -0.801 176.114 176.870 0.074 0.000 1.071 152 L CA 2.798 57.675 54.840 0.061 0.000 0.746 152 L CB -2.374 39.713 42.059 0.048 0.000 0.890 152 L HN -0.024 nan 8.230 nan 0.000 0.432 153 P HA -0.102 nan 4.420 nan 0.000 0.217 153 P C 2.063 179.476 177.300 0.188 0.000 1.151 153 P CA 1.261 64.435 63.100 0.125 0.000 0.828 153 P CB -0.079 31.699 31.700 0.130 0.000 0.788 154 I N -0.779 119.867 120.570 0.128 0.000 2.286 154 I HA -0.221 3.949 4.170 0.000 0.000 0.248 154 I C 1.701 177.886 176.117 0.113 0.000 1.115 154 I CA 1.867 63.234 61.300 0.111 0.000 1.392 154 I CB -0.848 37.094 38.000 -0.097 0.000 1.065 154 I HN -0.084 nan 8.210 nan 0.000 0.418 155 T N 0.214 114.818 114.554 0.083 0.000 2.737 155 T HA -0.161 4.189 4.350 0.000 0.000 0.265 155 T C 1.977 176.717 174.700 0.067 0.000 1.038 155 T CA 2.029 64.168 62.100 0.064 0.000 1.144 155 T CB -0.674 68.225 68.868 0.052 0.000 0.866 155 T HN 0.388 nan 8.240 nan 0.000 0.434 156 V N 0.344 120.303 119.914 0.075 0.000 2.295 156 V HA -0.063 4.057 4.120 0.000 0.000 0.246 156 V C 2.336 178.472 176.094 0.070 0.000 1.049 156 V CA 1.278 63.617 62.300 0.066 0.000 1.024 156 V CB -1.026 30.838 31.823 0.068 0.000 0.648 156 V HN 0.310 nan 8.190 nan 0.000 0.447 157 I N 1.133 121.759 120.570 0.093 0.000 2.353 157 I HA -0.115 4.055 4.170 0.000 0.000 0.248 157 I C 2.581 178.727 176.117 0.049 0.000 1.119 157 I CA 1.704 63.045 61.300 0.068 0.000 1.417 157 I CB -0.368 37.639 38.000 0.013 0.000 1.078 157 I HN 0.289 nan 8.210 nan 0.000 0.421 158 S N 0.334 116.069 115.700 0.058 0.000 2.370 158 S HA -0.239 4.231 4.470 0.000 0.000 0.226 158 S C 1.876 176.504 174.600 0.047 0.000 1.033 158 S CA 1.710 59.935 58.200 0.041 0.000 1.011 158 S CB -0.422 62.803 63.200 0.042 0.000 0.852 158 S HN 0.551 nan 8.310 nan 0.000 0.457 159 E N 0.343 120.570 120.200 0.044 0.000 2.110 159 E HA -0.127 4.223 4.350 0.000 0.000 0.193 159 E C 2.059 178.673 176.600 0.024 0.000 0.988 159 E CA 0.798 57.218 56.400 0.034 0.000 0.804 159 E CB -0.193 29.525 29.700 0.029 0.000 0.745 159 E HN 0.249 nan 8.360 nan 0.000 0.458 160 L N 0.463 121.700 121.223 0.022 0.000 2.027 160 L HA -0.126 4.215 4.340 0.000 0.000 0.206 160 L C 1.951 178.827 176.870 0.011 0.000 1.074 160 L CA 1.467 56.308 54.840 0.002 0.000 0.745 160 L CB -0.181 41.880 42.059 0.003 0.000 0.898 160 L HN 0.081 nan 8.230 nan 0.000 0.433 161 L N -0.151 121.093 121.223 0.034 0.000 2.270 161 L HA 0.327 4.668 4.340 0.000 0.000 0.210 161 L C 1.404 178.305 176.870 0.051 0.000 1.104 161 L CA 1.072 55.940 54.840 0.046 0.000 0.804 161 L CB -0.749 41.344 42.059 0.058 0.000 0.937 161 L HN 0.479 nan 8.230 nan 0.000 0.450 162 G N -0.396 108.436 108.800 0.054 0.000 2.288 162 G HA2 -0.172 3.788 3.960 0.000 0.000 0.205 162 G HA3 -0.172 3.788 3.960 0.000 0.000 0.205 162 G C -0.166 174.793 174.900 0.099 0.000 1.071 162 G CA -0.049 45.089 45.100 0.064 0.000 0.788 162 G HN 0.042 nan 8.290 nan 0.000 0.491 163 V N 1.356 121.339 119.914 0.114 0.000 2.408 163 V HA 0.365 4.486 4.120 0.000 0.000 0.267 163 V C -1.310 174.879 176.094 0.158 0.000 1.047 163 V CA -1.426 60.986 62.300 0.186 0.000 0.937 163 V CB 1.362 33.287 31.823 0.169 0.000 0.999 163 V HN 0.214 nan 8.190 nan 0.000 0.472 164 P HA 0.023 nan 4.420 nan 0.000 0.266 164 P C 1.002 178.368 177.300 0.110 0.000 1.195 164 P CA 0.007 63.184 63.100 0.128 0.000 0.768 164 P CB 0.669 32.453 31.700 0.138 0.000 0.838 165 E N 4.690 124.934 120.200 0.073 0.000 2.086 165 E HA -0.209 4.141 4.350 0.000 0.000 0.200 165 E C -0.944 175.682 176.600 0.043 0.000 1.012 165 E CA 2.329 58.761 56.400 0.052 0.000 0.812 165 E CB -1.774 27.948 29.700 0.036 0.000 0.743 165 E HN 0.346 nan 8.360 nan 0.000 0.453 166 P HA -0.041 nan 4.420 nan 0.000 0.226 166 P C 0.309 177.611 177.300 0.003 0.000 1.153 166 P CA 1.067 64.178 63.100 0.018 0.000 0.777 166 P CB -0.063 31.654 31.700 0.027 0.000 0.794 167 D N -1.359 119.069 120.400 0.046 0.000 2.349 167 D HA 0.049 4.690 4.640 0.000 0.000 0.215 167 D C 1.823 178.129 176.300 0.010 0.000 1.016 167 D CA 0.352 54.352 54.000 -0.000 0.000 0.870 167 D CB -0.154 40.741 40.800 0.158 0.000 0.917 167 D HN 0.181 nan 8.370 nan 0.000 0.524 168 R N 0.575 121.116 120.500 0.067 0.000 2.119 168 R HA 0.140 4.481 4.340 0.000 0.000 0.222 168 R C 2.105 178.439 176.300 0.057 0.000 1.088 168 R CA 0.885 57.068 56.100 0.139 0.000 0.984 168 R CB -0.044 30.298 30.300 0.069 0.000 0.884 168 R HN 0.043 nan 8.270 nan 0.000 0.447 169 A N 1.701 124.472 122.820 -0.082 0.000 1.902 169 A HA -0.105 4.216 4.320 0.000 0.000 0.217 169 A C 2.421 179.809 177.584 -0.327 0.000 1.181 169 A CA 1.563 53.498 52.037 -0.171 0.000 0.623 169 A CB -0.653 18.243 19.000 -0.173 0.000 0.818 169 A HN 0.354 nan 8.150 nan 0.000 0.443 170 A N -0.966 121.549 122.820 -0.509 0.000 1.997 170 A HA -0.166 4.155 4.320 0.000 0.000 0.221 170 A C 1.902 178.745 177.584 -1.234 0.000 1.172 170 A CA 1.794 53.191 52.037 -1.068 0.000 0.645 170 A CB -0.887 17.238 19.000 -1.458 0.000 0.813 170 A HN 0.521 nan 8.150 nan 0.000 0.454 171 F N -0.826 118.798 119.950 -0.543 0.000 2.293 171 F HA -0.056 4.471 4.527 0.000 0.000 0.300 171 F C 2.403 178.126 175.800 -0.129 0.000 1.086 171 F CA 1.550 59.469 58.000 -0.135 0.000 1.375 171 F CB -0.194 38.849 39.000 0.072 0.000 1.045 171 F HN 0.184 nan 8.300 nan 0.000 0.516 172 R N 0.220 120.667 120.500 -0.089 0.000 2.115 172 R HA -0.086 4.254 4.340 0.000 0.000 0.226 172 R C 1.978 178.106 176.300 -0.286 0.000 1.100 172 R CA 1.042 57.019 56.100 -0.204 0.000 0.980 172 R CB -0.267 29.761 30.300 -0.454 0.000 0.875 172 R HN 0.154 nan 8.270 nan 0.000 0.445 173 V N -0.177 119.507 119.914 -0.383 0.000 2.307 173 V HA -0.225 3.895 4.120 0.000 0.000 0.245 173 V C 2.056 177.974 176.094 -0.293 0.000 1.045 173 V CA 1.440 63.513 62.300 -0.379 0.000 1.024 173 V CB -0.618 30.911 31.823 -0.489 0.000 0.651 173 V HN 0.437 nan 8.190 nan 0.000 0.449 174 W N 0.996 122.086 121.300 -0.350 0.000 2.358 174 W HA -0.173 4.487 4.660 0.000 0.000 0.303 174 W C 2.887 178.884 176.519 -0.870 0.000 1.208 174 W CA 2.230 59.208 57.345 -0.612 0.000 1.274 174 W CB -1.770 27.337 29.460 -0.589 0.000 1.138 174 W HN 0.525 nan 8.180 nan 0.000 0.515 175 T N -2.038 112.403 114.554 -0.188 0.000 2.904 175 T HA -0.140 4.211 4.350 0.000 0.000 0.267 175 T C 1.320 176.047 174.700 0.045 0.000 1.059 175 T CA 1.588 63.688 62.100 -0.000 0.000 1.137 175 T CB -0.364 68.710 68.868 0.343 0.000 0.879 175 T HN -0.154 nan 8.240 nan 0.000 0.467 176 D N 1.993 122.385 120.400 -0.015 0.000 2.149 176 D HA 0.017 4.657 4.640 0.000 0.000 0.198 176 D C 2.399 178.680 176.300 -0.032 0.000 0.990 176 D CA 1.510 55.493 54.000 -0.029 0.000 0.839 176 D CB -0.616 40.127 40.800 -0.093 0.000 0.948 176 D HN 0.618 nan 8.370 nan 0.000 0.460 177 A N 0.149 122.915 122.820 -0.090 0.000 1.929 177 A HA -0.103 4.217 4.320 0.000 0.000 0.216 177 A C 1.840 179.503 177.584 0.132 0.000 1.176 177 A CA 0.726 52.744 52.037 -0.032 0.000 0.628 177 A CB -0.671 18.292 19.000 -0.061 0.000 0.816 177 A HN 0.097 nan 8.150 nan 0.000 0.444 178 F N -0.178 119.840 119.950 0.114 0.000 2.186 178 F HA -0.057 4.470 4.527 0.000 0.000 0.299 178 F C 2.388 178.249 175.800 0.101 0.000 1.090 178 F CA 0.592 58.657 58.000 0.108 0.000 1.307 178 F CB -1.087 37.996 39.000 0.138 0.000 1.019 178 F HN 0.033 nan 8.300 nan 0.000 0.489 179 V N -1.807 118.256 119.914 0.248 0.000 2.346 179 V HA -0.131 3.989 4.120 0.000 0.000 0.244 179 V C 0.256 176.471 176.094 0.201 0.000 1.037 179 V CA 1.287 63.673 62.300 0.144 0.000 1.029 179 V CB -0.296 31.506 31.823 -0.036 0.000 0.663 179 V HN 0.232 nan 8.190 nan 0.000 0.454 180 F N 1.815 121.729 119.950 -0.060 0.000 2.946 180 F HA 0.550 5.077 4.527 0.000 0.000 0.375 180 F C -3.165 172.656 175.800 0.035 0.000 1.320 180 F CA -2.754 55.233 58.000 -0.021 0.000 1.181 180 F CB 0.688 39.635 39.000 -0.087 0.000 2.051 180 F HN 0.083 nan 8.300 nan 0.000 0.622 181 P HA 0.423 nan 4.420 nan 0.000 0.289 181 P C 0.058 177.203 177.300 -0.258 0.000 1.293 181 P CA -0.360 62.672 63.100 -0.114 0.000 0.897 181 P CB 1.599 33.308 31.700 0.015 0.000 1.166 182 D N -0.153 120.134 120.400 -0.187 0.000 2.144 182 D HA -0.046 4.594 4.640 0.000 0.000 0.200 182 D C 0.291 176.518 176.300 -0.121 0.000 0.978 182 D CA 1.796 55.683 54.000 -0.189 0.000 0.833 182 D CB 0.057 40.785 40.800 -0.121 0.000 0.961 182 D HN 0.558 nan 8.370 nan 0.000 0.470 183 D N -2.913 117.446 120.400 -0.068 0.000 2.615 183 D HA 0.165 4.805 4.640 0.000 0.000 0.267 183 D C -2.425 173.876 176.300 0.001 0.000 1.236 183 D CA -1.478 52.505 54.000 -0.029 0.000 0.839 183 D CB 0.923 41.713 40.800 -0.017 0.000 1.380 183 D HN -0.304 nan 8.370 nan 0.000 0.433 184 P HA -0.051 nan 4.420 nan 0.000 0.217 184 P C 1.227 178.547 177.300 0.033 0.000 1.148 184 P CA 2.534 65.656 63.100 0.037 0.000 0.828 184 P CB 0.028 31.750 31.700 0.037 0.000 0.783 185 A N 0.287 123.119 122.820 0.020 0.000 2.015 185 A HA -0.234 4.087 4.320 0.000 0.000 0.219 185 A C 2.270 179.868 177.584 0.024 0.000 1.163 185 A CA 1.651 53.698 52.037 0.016 0.000 0.646 185 A CB -1.196 17.808 19.000 0.008 0.000 0.806 185 A HN 0.388 nan 8.150 nan 0.000 0.448 186 Q N -0.772 119.042 119.800 0.023 0.000 2.245 186 Q HA 0.165 4.505 4.340 0.000 0.000 0.201 186 Q C 1.908 177.953 176.000 0.074 0.000 0.955 186 Q CA 1.257 57.079 55.803 0.032 0.000 0.870 186 Q CB -0.457 28.285 28.738 0.007 0.000 0.945 186 Q HN 0.418 nan 8.270 nan 0.000 0.461 187 A N 1.143 124.023 122.820 0.099 0.000 1.902 187 A HA -0.186 4.134 4.320 0.000 0.000 0.217 187 A C 2.164 179.858 177.584 0.182 0.000 1.181 187 A CA 1.428 53.586 52.037 0.202 0.000 0.623 187 A CB -0.395 18.723 19.000 0.197 0.000 0.818 187 A HN 0.379 nan 8.150 nan 0.000 0.443 188 Q N -0.535 119.313 119.800 0.080 0.000 2.123 188 Q HA -0.095 4.245 4.340 0.000 0.000 0.199 188 Q C 2.169 178.180 176.000 0.018 0.000 0.966 188 Q CA 1.899 57.719 55.803 0.027 0.000 0.845 188 Q CB -0.981 27.756 28.738 -0.002 0.000 0.907 188 Q HN 0.666 nan 8.270 nan 0.000 0.439 189 T N 1.554 116.126 114.554 0.030 0.000 2.746 189 T HA -0.094 4.256 4.350 0.000 0.000 0.267 189 T C 1.921 176.625 174.700 0.008 0.000 1.039 189 T CA 1.407 63.517 62.100 0.017 0.000 1.142 189 T CB -0.267 68.618 68.868 0.029 0.000 0.866 189 T HN 0.404 nan 8.240 nan 0.000 0.444 190 A N 1.996 124.853 122.820 0.062 0.000 1.892 190 A HA -0.129 4.191 4.320 0.000 0.000 0.218 190 A C 2.372 179.865 177.584 -0.152 0.000 1.188 190 A CA 1.565 53.601 52.037 -0.002 0.000 0.631 190 A CB -0.664 18.378 19.000 0.071 0.000 0.822 190 A HN 0.338 nan 8.150 nan 0.000 0.447 191 M N -0.712 118.963 119.600 0.125 0.000 2.086 191 M HA -0.170 4.310 4.480 0.000 0.000 0.261 191 M C 2.592 178.784 176.300 -0.180 0.000 1.067 191 M CA 1.722 57.013 55.300 -0.014 0.000 1.116 191 M CB -1.214 31.330 32.600 -0.093 0.000 1.348 191 M HN 0.514 nan 8.290 nan 0.000 0.407 192 A N 0.076 122.810 122.820 -0.143 0.000 1.933 192 A HA -0.181 4.140 4.320 0.000 0.000 0.218 192 A C 1.989 179.463 177.584 -0.184 0.000 1.175 192 A CA 1.769 53.722 52.037 -0.140 0.000 0.628 192 A CB -0.695 18.255 19.000 -0.083 0.000 0.814 192 A HN 0.579 nan 8.150 nan 0.000 0.444 193 E N -1.094 118.957 120.200 -0.249 0.000 2.072 193 E HA -0.173 4.177 4.350 0.000 0.000 0.191 193 E C 2.050 178.292 176.600 -0.597 0.000 0.985 193 E CA 1.325 57.560 56.400 -0.275 0.000 0.801 193 E CB -0.230 29.410 29.700 -0.100 0.000 0.750 193 E HN 0.734 nan 8.360 nan 0.000 0.452 194 M N 0.417 119.368 119.600 -1.081 0.000 2.132 194 M HA -0.170 4.310 4.480 0.000 0.000 0.263 194 M C 2.427 178.513 176.300 -0.357 0.000 1.065 194 M CA 1.353 55.943 55.300 -1.184 0.000 1.122 194 M CB 0.018 32.087 32.600 -0.885 0.000 1.365 194 M HN 0.032 nan 8.290 nan 0.000 0.411 195 S N 0.015 115.560 115.700 -0.258 0.000 2.356 195 S HA -0.096 4.374 4.470 0.000 0.000 0.223 195 S C 1.972 176.523 174.600 -0.083 0.000 1.032 195 S CA 1.695 59.813 58.200 -0.137 0.000 1.005 195 S CB -0.989 62.117 63.200 -0.156 0.000 0.867 195 S HN 0.697 nan 8.310 nan 0.000 0.449 196 G N -0.023 108.726 108.800 -0.084 0.000 2.476 196 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 196 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 196 G C 1.333 176.243 174.900 0.017 0.000 1.164 196 G CA 1.227 46.310 45.100 -0.029 0.000 0.768 196 G HN 0.662 nan 8.290 nan 0.000 0.560 197 Y N 1.189 121.465 120.300 -0.041 0.000 2.128 197 Y HA -0.064 4.486 4.550 0.000 0.000 0.284 197 Y C 2.597 178.555 175.900 0.097 0.000 1.154 197 Y CA 1.584 59.724 58.100 0.067 0.000 1.149 197 Y CB -0.392 38.172 38.460 0.173 0.000 0.976 197 Y HN 0.123 nan 8.280 nan 0.000 0.505 198 L N -0.821 120.367 121.223 -0.059 0.000 2.046 198 L HA -0.242 4.098 4.340 0.000 0.000 0.208 198 L C 2.558 179.355 176.870 -0.122 0.000 1.077 198 L CA 1.529 56.321 54.840 -0.081 0.000 0.747 198 L CB -0.757 41.379 42.059 0.128 0.000 0.896 198 L HN 0.167 nan 8.230 nan 0.000 0.432 199 S N -0.385 115.265 115.700 -0.084 0.000 2.370 199 S HA -0.166 4.305 4.470 0.000 0.000 0.226 199 S C 2.035 176.580 174.600 -0.092 0.000 1.033 199 S CA 1.204 59.362 58.200 -0.070 0.000 1.011 199 S CB -0.205 62.965 63.200 -0.051 0.000 0.852 199 S HN 0.377 nan 8.310 nan 0.000 0.457 200 R N 0.333 120.757 120.500 -0.125 0.000 2.075 200 R HA -0.013 4.327 4.340 0.000 0.000 0.232 200 R C 2.316 178.520 176.300 -0.159 0.000 1.126 200 R CA 0.988 57.019 56.100 -0.115 0.000 0.963 200 R CB -0.631 29.621 30.300 -0.080 0.000 0.858 200 R HN 0.272 nan 8.270 nan 0.000 0.435 201 L N 1.403 122.435 121.223 -0.318 0.000 2.012 201 L HA -0.157 4.184 4.340 0.000 0.000 0.210 201 L C 2.066 178.875 176.870 -0.101 0.000 1.073 201 L CA 1.641 56.329 54.840 -0.253 0.000 0.748 201 L CB -0.363 41.470 42.059 -0.375 0.000 0.891 201 L HN 0.105 nan 8.230 nan 0.000 0.431 202 I N -0.353 120.166 120.570 -0.085 0.000 2.163 202 I HA -0.326 3.845 4.170 0.000 0.000 0.243 202 I C 2.047 178.147 176.117 -0.029 0.000 1.085 202 I CA 1.560 62.839 61.300 -0.035 0.000 1.347 202 I CB -0.560 37.426 38.000 -0.024 0.000 1.044 202 I HN 0.305 nan 8.210 nan 0.000 0.408 203 D N 0.414 120.791 120.400 -0.038 0.000 2.149 203 D HA -0.170 4.470 4.640 0.000 0.000 0.198 203 D C 2.330 178.621 176.300 -0.016 0.000 0.990 203 D CA 1.805 55.790 54.000 -0.024 0.000 0.839 203 D CB -0.367 40.418 40.800 -0.025 0.000 0.948 203 D HN 0.382 nan 8.370 nan 0.000 0.460 204 S N -0.015 115.673 115.700 -0.020 0.000 2.474 204 S HA -0.084 4.386 4.470 0.000 0.000 0.235 204 S C 1.604 176.207 174.600 0.004 0.000 0.997 204 S CA 0.593 58.791 58.200 -0.004 0.000 0.949 204 S CB 0.022 63.223 63.200 0.000 0.000 0.766 204 S HN 0.021 nan 8.310 nan 0.000 0.517 205 K N 1.092 121.493 120.400 0.001 0.000 2.243 205 K HA 0.206 4.527 4.320 0.000 0.000 0.201 205 K C 0.748 177.352 176.600 0.006 0.000 1.051 205 K CA 0.141 56.433 56.287 0.008 0.000 0.970 205 K CB -0.245 32.260 32.500 0.009 0.000 0.755 205 K HN 0.428 nan 8.250 nan 0.000 0.465 206 R N 0.545 121.046 120.500 0.002 0.000 2.484 206 R HA 0.051 4.392 4.340 0.000 0.000 0.293 206 R C 0.801 177.103 176.300 0.003 0.000 1.023 206 R CA 0.968 57.069 56.100 0.002 0.000 1.037 206 R CB -0.030 30.270 30.300 -0.001 0.000 0.951 206 R HN 0.473 nan 8.270 nan 0.000 0.418 207 G N 2.322 111.125 108.800 0.004 0.000 2.162 207 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 207 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 207 G C 0.629 175.532 174.900 0.006 0.000 0.976 207 G CA 0.082 45.184 45.100 0.004 0.000 0.655 207 G HN 0.586 nan 8.290 nan 0.000 0.533 208 Q N 0.070 119.875 119.800 0.007 0.000 2.319 208 Q HA 0.160 4.501 4.340 0.000 0.000 0.209 208 Q C 0.758 176.763 176.000 0.009 0.000 0.884 208 Q CA 0.665 56.473 55.803 0.009 0.000 0.938 208 Q CB 0.359 29.104 28.738 0.012 0.000 1.098 208 Q HN 0.608 nan 8.270 nan 0.000 0.517 209 D N 0.386 120.790 120.400 0.007 0.000 2.870 209 D HA -0.140 4.501 4.640 0.000 0.000 0.228 209 D C 0.438 176.742 176.300 0.007 0.000 1.147 209 D CA 1.311 55.315 54.000 0.006 0.000 0.757 209 D CB -1.584 39.219 40.800 0.005 0.000 1.091 209 D HN 0.364 nan 8.370 nan 0.000 0.429 210 G N -0.038 108.767 108.800 0.009 0.000 2.594 210 G HA2 0.257 4.217 3.960 0.000 0.000 0.243 210 G HA3 0.257 4.217 3.960 0.000 0.000 0.243 210 G C 0.802 175.706 174.900 0.006 0.000 1.229 210 G CA -0.172 44.934 45.100 0.010 0.000 0.843 210 G HN 0.013 nan 8.290 nan 0.000 0.578 211 E N -0.153 120.050 120.200 0.005 0.000 2.583 211 E HA 0.032 4.382 4.350 0.000 0.000 0.213 211 E C 0.441 177.038 176.600 -0.005 0.000 0.989 211 E CA -0.141 56.258 56.400 -0.001 0.000 0.991 211 E CB 0.400 30.098 29.700 -0.004 0.000 1.040 211 E HN 0.788 nan 8.360 nan 0.000 0.481 212 D N 0.141 120.542 120.400 0.002 0.000 2.377 212 D HA -0.035 4.605 4.640 0.000 0.000 0.245 212 D C 1.316 177.615 176.300 -0.001 0.000 1.196 212 D CA -0.515 53.485 54.000 0.001 0.000 0.962 212 D CB 1.857 42.666 40.800 0.015 0.000 1.127 212 D HN -0.109 nan 8.370 nan 0.000 0.471 213 L N 0.411 121.631 121.223 -0.004 0.000 2.093 213 L HA -0.130 4.210 4.340 0.000 0.000 0.208 213 L C 2.148 179.031 176.870 0.021 0.000 1.085 213 L CA 1.222 56.061 54.840 -0.002 0.000 0.755 213 L CB -1.004 41.050 42.059 -0.009 0.000 0.904 213 L HN 0.517 nan 8.230 nan 0.000 0.435 214 L N -1.121 120.122 121.223 0.032 0.000 2.046 214 L HA -0.149 4.191 4.340 0.000 0.000 0.208 214 L C 2.480 179.366 176.870 0.027 0.000 1.077 214 L CA 1.908 56.771 54.840 0.039 0.000 0.747 214 L CB -0.898 41.190 42.059 0.048 0.000 0.896 214 L HN 0.274 nan 8.230 nan 0.000 0.432 215 S N -0.351 115.361 115.700 0.021 0.000 2.368 215 S HA -0.139 4.332 4.470 0.000 0.000 0.225 215 S C 2.082 176.689 174.600 0.011 0.000 1.030 215 S CA 1.078 59.287 58.200 0.015 0.000 0.999 215 S CB -0.518 62.690 63.200 0.012 0.000 0.844 215 S HN 0.663 nan 8.310 nan 0.000 0.459 216 A N 1.254 124.080 122.820 0.009 0.000 1.898 216 A HA 0.022 4.342 4.320 0.000 0.000 0.216 216 A C 2.098 179.689 177.584 0.012 0.000 1.181 216 A CA 1.069 53.110 52.037 0.006 0.000 0.620 216 A CB -0.657 18.343 19.000 -0.000 0.000 0.819 216 A HN 0.448 nan 8.150 nan 0.000 0.442 217 L N -0.590 120.644 121.223 0.019 0.000 2.093 217 L HA -0.149 4.191 4.340 0.000 0.000 0.208 217 L C 2.519 179.400 176.870 0.019 0.000 1.085 217 L CA 0.919 55.773 54.840 0.024 0.000 0.755 217 L CB -0.499 41.582 42.059 0.037 0.000 0.904 217 L HN 0.240 nan 8.230 nan 0.000 0.435 218 V N -0.153 119.770 119.914 0.016 0.000 2.287 218 V HA -0.304 3.817 4.120 0.000 0.000 0.248 218 V C 2.624 178.723 176.094 0.008 0.000 1.053 218 V CA 1.806 64.113 62.300 0.011 0.000 1.027 218 V CB -0.629 31.199 31.823 0.008 0.000 0.646 218 V HN 0.416 nan 8.190 nan 0.000 0.447 219 R N -0.436 120.068 120.500 0.007 0.000 2.081 219 R HA -0.142 4.198 4.340 0.000 0.000 0.235 219 R C 2.432 178.736 176.300 0.006 0.000 1.131 219 R CA 1.888 57.991 56.100 0.006 0.000 0.960 219 R CB -0.775 29.528 30.300 0.005 0.000 0.856 219 R HN 0.500 nan 8.270 nan 0.000 0.436 220 T N 0.262 114.821 114.554 0.008 0.000 2.665 220 T HA -0.209 4.141 4.350 0.000 0.000 0.268 220 T C 1.926 176.631 174.700 0.008 0.000 1.035 220 T CA 1.929 64.035 62.100 0.009 0.000 1.151 220 T CB -0.287 68.588 68.868 0.013 0.000 0.862 220 T HN 0.246 nan 8.240 nan 0.000 0.438 221 S N 0.509 116.215 115.700 0.009 0.000 2.355 221 S HA -0.145 4.325 4.470 0.000 0.000 0.222 221 S C 1.789 176.391 174.600 0.003 0.000 1.031 221 S CA 1.357 59.561 58.200 0.006 0.000 0.993 221 S CB -0.546 62.658 63.200 0.005 0.000 0.859 221 S HN 0.369 nan 8.310 nan 0.000 0.453 222 D N 1.152 121.553 120.400 0.002 0.000 2.117 222 D HA -0.069 4.571 4.640 0.000 0.000 0.197 222 D C 2.062 178.363 176.300 0.001 0.000 0.987 222 D CA 1.127 55.127 54.000 0.001 0.000 0.829 222 D CB -0.379 40.421 40.800 0.001 0.000 0.961 222 D HN 0.613 nan 8.370 nan 0.000 0.460 223 E N -0.268 119.934 120.200 0.003 0.000 2.106 223 E HA -0.091 4.259 4.350 0.000 0.000 0.192 223 E C 0.205 176.807 176.600 0.003 0.000 0.984 223 E CA 0.771 57.172 56.400 0.003 0.000 0.806 223 E CB 0.276 29.978 29.700 0.003 0.000 0.750 223 E HN 0.068 nan 8.360 nan 0.000 0.458 224 D N -1.471 118.931 120.400 0.004 0.000 2.365 224 D HA 0.108 4.748 4.640 0.000 0.000 0.235 224 D C 0.404 176.707 176.300 0.005 0.000 1.368 224 D CA -0.171 53.832 54.000 0.005 0.000 1.001 224 D CB 1.124 41.928 40.800 0.006 0.000 1.364 224 D HN 0.046 nan 8.370 nan 0.000 0.577 225 G N 1.411 110.213 108.800 0.003 0.000 2.498 225 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 225 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 225 G C 1.373 176.277 174.900 0.006 0.000 1.119 225 G CA 1.151 46.252 45.100 0.002 0.000 0.766 225 G HN 0.483 nan 8.290 nan 0.000 0.552 226 S N 0.090 115.795 115.700 0.008 0.000 2.461 226 S HA 0.056 4.527 4.470 0.000 0.000 0.228 226 S C 2.177 176.786 174.600 0.016 0.000 1.005 226 S CA 0.407 58.614 58.200 0.013 0.000 0.942 226 S CB -0.135 63.072 63.200 0.012 0.000 0.776 226 S HN 0.448 nan 8.310 nan 0.000 0.514 227 R N -0.256 120.253 120.500 0.014 0.000 2.127 227 R HA 0.355 4.696 4.340 0.000 0.000 0.217 227 R C -0.442 175.869 176.300 0.019 0.000 1.074 227 R CA 0.546 56.656 56.100 0.015 0.000 0.991 227 R CB -0.105 30.202 30.300 0.012 0.000 0.895 227 R HN 0.390 nan 8.270 nan 0.000 0.450 228 L N 1.262 122.495 121.223 0.017 0.000 2.676 228 L HA 0.148 4.488 4.340 0.000 0.000 0.262 228 L C -0.345 176.532 176.870 0.012 0.000 0.965 228 L CA -0.333 54.520 54.840 0.021 0.000 0.920 228 L CB 1.608 43.680 42.059 0.022 0.000 1.260 228 L HN 0.066 nan 8.230 nan 0.000 0.422 229 T N 0.198 114.758 114.554 0.010 0.000 2.766 229 T HA 0.268 4.618 4.350 0.000 0.000 0.295 229 T C 1.198 175.883 174.700 -0.025 0.000 1.024 229 T CA 0.250 62.343 62.100 -0.011 0.000 1.018 229 T CB 1.033 69.886 68.868 -0.024 0.000 1.002 229 T HN 0.543 nan 8.240 nan 0.000 0.532 230 S N 0.857 116.534 115.700 -0.039 0.000 2.370 230 S HA -0.124 4.347 4.470 0.000 0.000 0.226 230 S C 1.985 176.545 174.600 -0.066 0.000 1.033 230 S CA 1.627 59.800 58.200 -0.044 0.000 1.011 230 S CB -0.547 62.625 63.200 -0.048 0.000 0.852 230 S HN 0.843 nan 8.310 nan 0.000 0.457 231 E N 1.286 121.410 120.200 -0.126 0.000 2.077 231 E HA -0.124 4.226 4.350 0.000 0.000 0.193 231 E C 2.037 178.573 176.600 -0.107 0.000 0.989 231 E CA 1.122 57.392 56.400 -0.216 0.000 0.800 231 E CB -0.184 29.195 29.700 -0.535 0.000 0.746 231 E HN 0.578 nan 8.360 nan 0.000 0.452 232 E N -0.060 120.116 120.200 -0.040 0.000 2.152 232 E HA -0.128 4.222 4.350 0.000 0.000 0.192 232 E C 1.888 178.521 176.600 0.055 0.000 0.983 232 E CA 0.382 56.817 56.400 0.058 0.000 0.818 232 E CB -0.040 29.701 29.700 0.069 0.000 0.758 232 E HN 0.096 nan 8.360 nan 0.000 0.467 233 L N 1.066 122.305 121.223 0.027 0.000 2.017 233 L HA -0.150 4.190 4.340 0.000 0.000 0.208 233 L C 2.148 179.046 176.870 0.047 0.000 1.073 233 L CA 1.427 56.287 54.840 0.033 0.000 0.745 233 L CB -0.557 41.510 42.059 0.014 0.000 0.894 233 L HN 0.153 nan 8.230 nan 0.000 0.432 234 L N -0.137 121.105 121.223 0.032 0.000 2.046 234 L HA 0.004 4.344 4.340 0.000 0.000 0.208 234 L C 2.287 179.219 176.870 0.104 0.000 1.077 234 L CA 2.108 56.976 54.840 0.047 0.000 0.747 234 L CB -1.414 40.647 42.059 0.003 0.000 0.896 234 L HN 0.309 nan 8.230 nan 0.000 0.432 235 G N -0.884 107.983 108.800 0.111 0.000 2.422 235 G HA2 -0.302 3.658 3.960 0.000 0.000 0.218 235 G HA3 -0.302 3.658 3.960 0.000 0.000 0.218 235 G C 1.532 176.544 174.900 0.187 0.000 1.140 235 G CA 0.941 46.151 45.100 0.184 0.000 0.775 235 G HN 0.426 nan 8.290 nan 0.000 0.545 236 M N 1.459 121.137 119.600 0.130 0.000 2.099 236 M HA 0.266 4.747 4.480 0.000 0.000 0.262 236 M C 2.693 179.056 176.300 0.104 0.000 1.067 236 M CA 1.700 57.062 55.300 0.102 0.000 1.124 236 M CB -0.384 32.266 32.600 0.083 0.000 1.353 236 M HN 0.184 nan 8.290 nan 0.000 0.410 237 A N -0.750 122.142 122.820 0.121 0.000 1.908 237 A HA -0.255 4.065 4.320 0.000 0.000 0.218 237 A C 2.318 180.005 177.584 0.173 0.000 1.181 237 A CA 2.115 54.233 52.037 0.134 0.000 0.627 237 A CB -1.492 17.591 19.000 0.139 0.000 0.818 237 A HN 0.812 nan 8.150 nan 0.000 0.445 238 H N -1.038 118.099 119.070 0.112 0.000 2.293 238 H HA -0.130 4.426 4.556 0.000 0.000 0.300 238 H C 2.066 177.456 175.328 0.103 0.000 1.082 238 H CA 1.947 58.075 56.048 0.134 0.000 1.308 238 H CB -0.165 29.656 29.762 0.097 0.000 1.375 238 H HN 0.363 nan 8.280 nan 0.000 0.495 239 I N 1.171 121.642 120.570 -0.165 0.000 2.315 239 I HA -0.214 3.957 4.170 0.000 0.000 0.248 239 I C 2.450 178.467 176.117 -0.166 0.000 1.117 239 I CA 0.898 62.054 61.300 -0.240 0.000 1.404 239 I CB -0.380 37.581 38.000 -0.064 0.000 1.071 239 I HN 0.281 nan 8.210 nan 0.000 0.419 240 L N -0.853 120.319 121.223 -0.085 0.000 2.201 240 L HA -0.163 4.177 4.340 0.000 0.000 0.212 240 L C 2.320 179.102 176.870 -0.147 0.000 1.105 240 L CA 0.959 55.744 54.840 -0.091 0.000 0.775 240 L CB -0.463 41.607 42.059 0.019 0.000 0.913 240 L HN 0.264 nan 8.230 nan 0.000 0.440 241 L N -1.511 119.630 121.223 -0.138 0.000 2.127 241 L HA -0.088 4.252 4.340 0.000 0.000 0.203 241 L C 2.308 178.983 176.870 -0.324 0.000 1.080 241 L CA 0.488 55.171 54.840 -0.261 0.000 0.768 241 L CB -0.184 41.841 42.059 -0.058 0.000 0.924 241 L HN 0.004 nan 8.230 nan 0.000 0.444 242 V N -0.387 119.452 119.914 -0.125 0.000 2.535 242 V HA -0.048 4.072 4.120 0.000 0.000 0.246 242 V C 2.599 178.678 176.094 -0.026 0.000 1.045 242 V CA 1.360 63.670 62.300 0.017 0.000 1.058 242 V CB -0.376 31.423 31.823 -0.040 0.000 0.689 242 V HN 0.388 nan 8.190 nan 0.000 0.461 243 A N 0.531 123.282 122.820 -0.115 0.000 1.969 243 A HA -0.014 4.306 4.320 0.000 0.000 0.218 243 A C 2.149 179.703 177.584 -0.049 0.000 1.169 243 A CA 1.797 53.789 52.037 -0.075 0.000 0.635 243 A CB -0.679 18.261 19.000 -0.100 0.000 0.810 243 A HN 0.554 nan 8.150 nan 0.000 0.445 244 G N -3.007 105.735 108.800 -0.096 0.000 3.126 244 G HA2 0.218 4.178 3.960 0.000 0.000 0.224 244 G HA3 0.218 4.178 3.960 0.000 0.000 0.224 244 G C 1.134 176.051 174.900 0.029 0.000 1.142 244 G CA 0.170 45.241 45.100 -0.048 0.000 0.759 244 G HN 0.468 nan 8.290 nan 0.000 0.550 245 H N 0.908 119.990 119.070 0.019 0.000 2.275 245 H HA 0.112 4.669 4.556 0.000 0.000 0.315 245 H C 2.302 177.598 175.328 -0.053 0.000 1.058 245 H CA 0.812 56.870 56.048 0.017 0.000 1.387 245 H CB -0.011 29.806 29.762 0.093 0.000 1.435 245 H HN 0.108 nan 8.280 nan 0.000 0.530 246 E N 0.309 120.582 120.200 0.121 0.000 2.160 246 E HA -0.121 4.229 4.350 0.000 0.000 0.195 246 E C 2.146 178.717 176.600 -0.049 0.000 0.991 246 E CA 1.539 57.914 56.400 -0.041 0.000 0.810 246 E CB -0.311 29.421 29.700 0.054 0.000 0.742 246 E HN 0.666 nan 8.360 nan 0.000 0.466 247 T N -1.646 112.916 114.554 0.012 0.000 2.701 247 T HA -0.107 4.243 4.350 0.000 0.000 0.263 247 T C 2.093 176.789 174.700 -0.006 0.000 1.040 247 T CA 1.844 63.947 62.100 0.006 0.000 1.147 247 T CB -0.784 68.099 68.868 0.025 0.000 0.865 247 T HN -0.025 nan 8.240 nan 0.000 0.426 248 T N 1.817 116.380 114.554 0.016 0.000 2.821 248 T HA -0.006 4.344 4.350 0.000 0.000 0.267 248 T C 2.183 176.859 174.700 -0.040 0.000 1.046 248 T CA 1.032 63.145 62.100 0.022 0.000 1.139 248 T CB -0.653 68.251 68.868 0.060 0.000 0.871 248 T HN 0.210 nan 8.240 nan 0.000 0.454 249 V N 2.750 122.590 119.914 -0.123 0.000 2.287 249 V HA -0.205 3.916 4.120 0.000 0.000 0.248 249 V C 2.360 178.330 176.094 -0.206 0.000 1.053 249 V CA 1.616 63.755 62.300 -0.268 0.000 1.027 249 V CB -0.503 30.941 31.823 -0.631 0.000 0.646 249 V HN 0.508 nan 8.190 nan 0.000 0.447 250 N N -0.343 118.264 118.700 -0.154 0.000 2.354 250 N HA -0.050 4.690 4.740 0.000 0.000 0.179 250 N C 1.669 177.175 175.510 -0.007 0.000 1.021 250 N CA 0.823 53.832 53.050 -0.067 0.000 0.887 250 N CB -0.170 38.308 38.487 -0.015 0.000 0.974 250 N HN 0.389 nan 8.380 nan 0.000 0.437 251 L N 1.637 122.853 121.223 -0.012 0.000 2.012 251 L HA -0.045 4.296 4.340 0.000 0.000 0.210 251 L C 1.949 178.832 176.870 0.022 0.000 1.073 251 L CA 1.385 56.228 54.840 0.006 0.000 0.748 251 L CB -0.660 41.402 42.059 0.005 0.000 0.891 251 L HN 0.017 nan 8.230 nan 0.000 0.431 252 I N -0.288 120.287 120.570 0.008 0.000 2.163 252 I HA -0.320 3.850 4.170 0.000 0.000 0.243 252 I C 2.594 178.725 176.117 0.022 0.000 1.085 252 I CA 1.388 62.698 61.300 0.016 0.000 1.347 252 I CB -0.732 37.269 38.000 0.003 0.000 1.044 252 I HN 0.399 nan 8.210 nan 0.000 0.408 253 A N 0.936 123.754 122.820 -0.002 0.000 1.855 253 A HA -0.181 4.140 4.320 0.000 0.000 0.215 253 A C 2.058 179.681 177.584 0.065 0.000 1.191 253 A CA 1.837 53.876 52.037 0.004 0.000 0.613 253 A CB -0.710 18.257 19.000 -0.056 0.000 0.829 253 A HN 0.386 nan 8.150 nan 0.000 0.442 254 N N 0.432 119.192 118.700 0.101 0.000 2.149 254 N HA -0.115 4.625 4.740 0.000 0.000 0.188 254 N C 1.739 177.366 175.510 0.195 0.000 1.019 254 N CA 1.583 54.775 53.050 0.236 0.000 0.857 254 N CB -0.802 37.836 38.487 0.252 0.000 0.997 254 N HN 0.487 nan 8.380 nan 0.000 0.426 255 G N 0.511 109.374 108.800 0.105 0.000 2.394 255 G HA2 -0.151 3.809 3.960 0.000 0.000 0.215 255 G HA3 -0.151 3.809 3.960 0.000 0.000 0.215 255 G C 1.452 176.374 174.900 0.036 0.000 1.165 255 G CA 0.444 45.581 45.100 0.062 0.000 0.784 255 G HN 0.102 nan 8.290 nan 0.000 0.535 256 M N -0.322 119.318 119.600 0.067 0.000 2.175 256 M HA 0.040 4.520 4.480 0.000 0.000 0.264 256 M C 2.288 178.635 176.300 0.078 0.000 1.063 256 M CA 0.560 55.899 55.300 0.065 0.000 1.119 256 M CB -1.188 31.453 32.600 0.068 0.000 1.377 256 M HN 0.393 nan 8.290 nan 0.000 0.415 257 Y N 1.459 121.754 120.300 -0.008 0.000 2.128 257 Y HA -0.203 4.348 4.550 0.000 0.000 0.284 257 Y C 2.362 178.253 175.900 -0.016 0.000 1.154 257 Y CA 1.970 60.070 58.100 0.001 0.000 1.149 257 Y CB -0.750 37.724 38.460 0.023 0.000 0.976 257 Y HN 0.192 nan 8.280 nan 0.000 0.505 258 A N 0.243 122.864 122.820 -0.331 0.000 1.892 258 A HA -0.225 4.095 4.320 0.000 0.000 0.218 258 A C 2.227 179.472 177.584 -0.564 0.000 1.188 258 A CA 2.060 53.678 52.037 -0.699 0.000 0.631 258 A CB -1.295 17.034 19.000 -1.118 0.000 0.822 258 A HN 0.499 nan 8.150 nan 0.000 0.447 259 L N -0.511 120.547 121.223 -0.275 0.000 2.027 259 L HA -0.056 4.284 4.340 0.000 0.000 0.206 259 L C 2.379 179.255 176.870 0.010 0.000 1.074 259 L CA 1.573 56.415 54.840 0.004 0.000 0.745 259 L CB -0.641 41.460 42.059 0.069 0.000 0.898 259 L HN 0.417 nan 8.230 nan 0.000 0.433 260 L N -1.246 119.960 121.223 -0.029 0.000 2.291 260 L HA -0.077 4.263 4.340 0.000 0.000 0.214 260 L C 2.139 178.969 176.870 -0.066 0.000 1.120 260 L CA 1.044 55.881 54.840 -0.006 0.000 0.799 260 L CB -0.504 41.582 42.059 0.044 0.000 0.925 260 L HN 0.385 nan 8.230 nan 0.000 0.446 261 S N -2.639 112.940 115.700 -0.202 0.000 2.575 261 S HA 0.008 4.478 4.470 0.000 0.000 0.215 261 S C 0.385 174.686 174.600 -0.499 0.000 0.966 261 S CA -0.216 57.781 58.200 -0.338 0.000 0.911 261 S CB -0.258 62.602 63.200 -0.567 0.000 0.780 261 S HN 0.430 nan 8.310 nan 0.000 0.514 262 H N 1.609 120.599 119.070 -0.134 0.000 2.348 262 H HA 0.370 4.927 4.556 0.000 0.000 0.232 262 H C -2.180 173.152 175.328 0.007 0.000 1.419 262 H CA -1.662 54.361 56.048 -0.040 0.000 1.416 262 H CB 1.022 30.804 29.762 0.034 0.000 1.510 262 H HN 0.158 nan 8.280 nan 0.000 0.507 263 P HA -0.206 nan 4.420 nan 0.000 0.218 263 P C 1.149 178.481 177.300 0.052 0.000 1.148 263 P CA 1.244 64.369 63.100 0.042 0.000 0.822 263 P CB 0.492 32.201 31.700 0.014 0.000 0.784 264 D N 0.087 120.519 120.400 0.054 0.000 2.133 264 D HA -0.226 4.414 4.640 0.000 0.000 0.195 264 D C 1.656 177.979 176.300 0.037 0.000 0.997 264 D CA 1.296 55.319 54.000 0.040 0.000 0.840 264 D CB -0.748 40.074 40.800 0.036 0.000 0.947 264 D HN 0.166 nan 8.370 nan 0.000 0.452 265 Q N 0.034 119.876 119.800 0.071 0.000 2.137 265 Q HA 0.014 4.354 4.340 0.000 0.000 0.198 265 Q C 2.511 178.548 176.000 0.062 0.000 0.960 265 Q CA 0.208 56.038 55.803 0.044 0.000 0.847 265 Q CB -0.618 28.169 28.738 0.081 0.000 0.915 265 Q HN 0.326 nan 8.270 nan 0.000 0.448 266 L N 1.106 122.385 121.223 0.093 0.000 1.989 266 L HA -0.149 4.191 4.340 0.000 0.000 0.211 266 L C 2.160 179.055 176.870 0.042 0.000 1.071 266 L CA 2.326 57.209 54.840 0.071 0.000 0.749 266 L CB -0.991 41.109 42.059 0.067 0.000 0.890 266 L HN 0.142 nan 8.230 nan 0.000 0.431 267 A N -0.485 122.356 122.820 0.034 0.000 1.908 267 A HA -0.151 4.169 4.320 0.000 0.000 0.218 267 A C 2.466 180.056 177.584 0.011 0.000 1.181 267 A CA 2.138 54.188 52.037 0.021 0.000 0.627 267 A CB -1.310 17.701 19.000 0.018 0.000 0.818 267 A HN 0.633 nan 8.150 nan 0.000 0.445 268 A N -0.731 122.091 122.820 0.004 0.000 1.902 268 A HA -0.044 4.276 4.320 0.000 0.000 0.217 268 A C 2.146 179.725 177.584 -0.009 0.000 1.181 268 A CA 1.820 53.851 52.037 -0.010 0.000 0.623 268 A CB -0.557 18.425 19.000 -0.029 0.000 0.818 268 A HN 0.705 nan 8.150 nan 0.000 0.443 269 L N -0.334 120.887 121.223 -0.003 0.000 2.072 269 L HA -0.035 4.305 4.340 0.000 0.000 0.205 269 L C 2.394 179.269 176.870 0.008 0.000 1.079 269 L CA 1.687 56.528 54.840 0.001 0.000 0.752 269 L CB -0.636 41.431 42.059 0.013 0.000 0.906 269 L HN 0.325 nan 8.230 nan 0.000 0.436 270 R N -0.338 120.171 120.500 0.014 0.000 2.096 270 R HA -0.176 4.164 4.340 0.000 0.000 0.240 270 R C 2.174 178.479 176.300 0.008 0.000 1.139 270 R CA 1.551 57.659 56.100 0.014 0.000 0.952 270 R CB -0.766 29.545 30.300 0.018 0.000 0.854 270 R HN 0.527 nan 8.270 nan 0.000 0.436 271 A N 0.382 123.205 122.820 0.005 0.000 2.015 271 A HA -0.121 4.199 4.320 0.000 0.000 0.219 271 A C 0.538 178.121 177.584 -0.001 0.000 1.163 271 A CA 1.156 53.194 52.037 0.002 0.000 0.646 271 A CB 0.134 19.134 19.000 0.000 0.000 0.806 271 A HN 0.240 nan 8.150 nan 0.000 0.448 272 D N -1.270 119.128 120.400 -0.003 0.000 2.381 272 D HA 0.277 4.917 4.640 0.000 0.000 0.245 272 D C 0.639 176.937 176.300 -0.003 0.000 1.297 272 D CA -0.414 53.584 54.000 -0.004 0.000 0.931 272 D CB 0.185 40.980 40.800 -0.009 0.000 1.334 272 D HN -0.011 nan 8.370 nan 0.000 0.535 273 M N 0.962 120.563 119.600 0.001 0.000 2.549 273 M HA -0.059 4.421 4.480 0.000 0.000 0.260 273 M C 1.835 178.136 176.300 0.003 0.000 1.076 273 M CA 0.865 56.167 55.300 0.003 0.000 1.090 273 M CB -1.206 31.397 32.600 0.006 0.000 1.418 273 M HN 0.478 nan 8.290 nan 0.000 0.486 274 T N -2.173 112.381 114.554 0.000 0.000 3.051 274 T HA -0.028 4.322 4.350 0.000 0.000 0.269 274 T C 1.599 176.298 174.700 -0.002 0.000 1.127 274 T CA 0.607 62.707 62.100 0.001 0.000 1.107 274 T CB -0.498 68.369 68.868 -0.001 0.000 0.898 274 T HN 0.422 nan 8.240 nan 0.000 0.517 275 L N -0.086 121.133 121.223 -0.007 0.000 2.599 275 L HA 0.268 4.608 4.340 0.000 0.000 0.230 275 L C 2.223 179.086 176.870 -0.011 0.000 1.141 275 L CA -0.061 54.769 54.840 -0.017 0.000 0.877 275 L CB -0.527 41.514 42.059 -0.031 0.000 1.009 275 L HN 0.238 nan 8.230 nan 0.000 0.447 276 L N 0.242 121.467 121.223 0.003 0.000 2.012 276 L HA -0.239 4.101 4.340 0.000 0.000 0.210 276 L C 1.972 178.856 176.870 0.023 0.000 1.073 276 L CA 2.015 56.865 54.840 0.015 0.000 0.748 276 L CB -0.399 41.673 42.059 0.021 0.000 0.891 276 L HN 0.192 nan 8.230 nan 0.000 0.431 277 D N -0.382 120.034 120.400 0.026 0.000 2.097 277 D HA -0.120 4.520 4.640 0.000 0.000 0.195 277 D C 2.132 178.455 176.300 0.040 0.000 0.989 277 D CA 1.460 55.486 54.000 0.042 0.000 0.827 277 D CB -0.677 40.149 40.800 0.044 0.000 0.966 277 D HN 0.518 nan 8.370 nan 0.000 0.456 278 G N 0.631 109.440 108.800 0.015 0.000 2.422 278 G HA2 -0.159 3.801 3.960 0.000 0.000 0.218 278 G HA3 -0.159 3.801 3.960 0.000 0.000 0.218 278 G C 1.702 176.579 174.900 -0.038 0.000 1.146 278 G CA 1.150 46.247 45.100 -0.006 0.000 0.769 278 G HN 0.391 nan 8.290 nan 0.000 0.547 279 A N 0.287 123.083 122.820 -0.040 0.000 1.883 279 A HA 0.025 4.345 4.320 0.000 0.000 0.217 279 A C 2.602 180.201 177.584 0.025 0.000 1.186 279 A CA 1.917 53.925 52.037 -0.047 0.000 0.624 279 A CB -0.716 18.281 19.000 -0.005 0.000 0.822 279 A HN 0.264 nan 8.150 nan 0.000 0.444 280 V N 0.370 120.313 119.914 0.048 0.000 2.407 280 V HA -0.211 3.909 4.120 0.000 0.000 0.248 280 V C 2.533 178.656 176.094 0.048 0.000 1.055 280 V CA 2.071 64.412 62.300 0.069 0.000 1.049 280 V CB -0.755 31.118 31.823 0.083 0.000 0.662 280 V HN 0.513 nan 8.190 nan 0.000 0.455 281 E N 0.140 120.371 120.200 0.050 0.000 2.110 281 E HA -0.252 4.099 4.350 0.000 0.000 0.193 281 E C 2.203 178.745 176.600 -0.096 0.000 0.988 281 E CA 1.512 57.935 56.400 0.038 0.000 0.804 281 E CB -0.188 29.588 29.700 0.125 0.000 0.745 281 E HN 0.719 nan 8.360 nan 0.000 0.458 282 E N 0.385 120.539 120.200 -0.075 0.000 2.274 282 E HA -0.057 4.293 4.350 0.000 0.000 0.194 282 E C 1.970 178.620 176.600 0.085 0.000 0.996 282 E CA 0.644 56.979 56.400 -0.109 0.000 0.840 282 E CB -0.099 29.426 29.700 -0.291 0.000 0.772 282 E HN 0.185 nan 8.360 nan 0.000 0.491 283 M N -0.345 119.347 119.600 0.155 0.000 2.117 283 M HA -0.102 4.378 4.480 0.000 0.000 0.262 283 M C 2.044 178.339 176.300 -0.008 0.000 1.065 283 M CA 1.207 56.617 55.300 0.184 0.000 1.114 283 M CB -0.232 32.449 32.600 0.135 0.000 1.361 283 M HN 0.153 nan 8.290 nan 0.000 0.408 284 L N -0.642 120.473 121.223 -0.180 0.000 2.046 284 L HA -0.213 4.127 4.340 0.000 0.000 0.208 284 L C 2.858 179.382 176.870 -0.577 0.000 1.077 284 L CA 1.171 55.760 54.840 -0.419 0.000 0.747 284 L CB -0.632 41.031 42.059 -0.660 0.000 0.896 284 L HN 0.277 nan 8.230 nan 0.000 0.432 285 R N -0.606 119.498 120.500 -0.659 0.000 2.062 285 R HA -0.208 4.132 4.340 0.000 0.000 0.231 285 R C 2.348 178.384 176.300 -0.439 0.000 1.136 285 R CA 1.855 57.462 56.100 -0.822 0.000 0.948 285 R CB -0.657 29.245 30.300 -0.664 0.000 0.845 285 R HN 0.313 nan 8.270 nan 0.000 0.430 286 Y N 0.464 120.600 120.300 -0.272 0.000 2.184 286 Y HA -0.046 4.504 4.550 0.000 0.000 0.290 286 Y C 0.381 176.232 175.900 -0.081 0.000 1.129 286 Y CA 1.586 59.608 58.100 -0.130 0.000 1.144 286 Y CB 0.294 38.802 38.460 0.079 0.000 0.995 286 Y HN 0.100 nan 8.280 nan 0.000 0.513 287 E N 0.345 120.499 120.200 -0.076 0.000 3.832 287 E HA 0.275 4.625 4.350 0.000 0.000 0.250 287 E C -0.347 176.264 176.600 0.018 0.000 1.215 287 E CA -0.207 56.149 56.400 -0.074 0.000 1.179 287 E CB -0.026 29.645 29.700 -0.048 0.000 1.270 287 E HN 0.440 nan 8.360 nan 0.000 0.405 288 G N 1.471 110.259 108.800 -0.019 0.000 2.636 288 G HA2 0.109 4.069 3.960 0.000 0.000 0.246 288 G HA3 0.109 4.069 3.960 0.000 0.000 0.246 288 G C -1.436 173.467 174.900 0.005 0.000 1.216 288 G CA -0.867 44.204 45.100 -0.048 0.000 0.854 288 G HN 0.209 nan 8.290 nan 0.000 0.572 289 P HA -0.008 nan 4.420 nan 0.000 0.225 289 P C 0.450 177.761 177.300 0.018 0.000 1.156 289 P CA 0.341 63.454 63.100 0.022 0.000 0.787 289 P CB 0.249 31.950 31.700 0.001 0.000 0.802 290 V N 2.081 121.990 119.914 -0.008 0.000 2.353 290 V HA 0.122 4.242 4.120 0.000 0.000 0.264 290 V C 1.841 177.930 176.094 -0.009 0.000 1.049 290 V CA -0.000 62.298 62.300 -0.003 0.000 0.896 290 V CB 0.672 32.486 31.823 -0.016 0.000 1.025 290 V HN 0.056 nan 8.190 nan 0.000 0.475 291 E N 3.209 123.404 120.200 -0.009 0.000 2.076 291 E HA -0.019 4.331 4.350 0.000 0.000 0.190 291 E C 0.471 177.020 176.600 -0.086 0.000 0.979 291 E CA 0.683 57.057 56.400 -0.042 0.000 0.807 291 E CB 0.390 30.070 29.700 -0.033 0.000 0.761 291 E HN 0.661 nan 8.360 nan 0.000 0.454 292 S N -0.465 115.208 115.700 -0.045 0.000 2.541 292 S HA 0.612 5.083 4.470 0.000 0.000 0.280 292 S C -0.746 173.840 174.600 -0.023 0.000 1.112 292 S CA -0.592 57.573 58.200 -0.058 0.000 0.925 292 S CB 1.831 65.023 63.200 -0.013 0.000 1.067 292 S HN 0.416 nan 8.310 nan 0.000 0.479 293 A N 2.076 124.868 122.820 -0.047 0.000 2.366 293 A HA 0.587 4.907 4.320 0.000 0.000 0.250 293 A C 0.898 178.480 177.584 -0.003 0.000 1.099 293 A CA -0.177 51.837 52.037 -0.038 0.000 0.794 293 A CB -0.389 18.567 19.000 -0.072 0.000 1.056 293 A HN 0.879 nan 8.150 nan 0.000 0.499 294 T N -1.616 112.924 114.554 -0.023 0.000 2.813 294 T HA 0.377 4.727 4.350 0.000 0.000 0.297 294 T C -0.122 174.576 174.700 -0.003 0.000 1.036 294 T CA -0.211 61.887 62.100 -0.004 0.000 1.044 294 T CB -0.011 68.823 68.868 -0.057 0.000 0.993 294 T HN 0.305 nan 8.240 nan 0.000 0.535 295 Y N 1.221 121.369 120.300 -0.253 0.000 2.610 295 Y HA 0.301 4.851 4.550 0.000 0.000 0.332 295 Y C 1.311 176.666 175.900 -0.910 0.000 1.201 295 Y CA -0.507 57.275 58.100 -0.529 0.000 1.465 295 Y CB -0.020 38.078 38.460 -0.603 0.000 1.283 295 Y HN 0.570 nan 8.280 nan 0.000 0.563 296 R N 2.807 122.861 120.500 -0.744 0.000 2.740 296 R HA 0.623 4.963 4.340 0.000 0.000 0.282 296 R C -1.726 174.149 176.300 -0.707 0.000 0.969 296 R CA -0.798 54.896 56.100 -0.676 0.000 0.918 296 R CB 1.613 31.775 30.300 -0.231 0.000 1.175 296 R HN 0.471 nan 8.270 nan 0.000 0.464 297 F N 2.148 122.077 119.950 -0.035 0.000 2.539 297 F HA 0.360 4.887 4.527 0.000 0.000 0.328 297 F C -2.151 173.562 175.800 -0.145 0.000 1.148 297 F CA -2.583 55.358 58.000 -0.099 0.000 0.940 297 F CB 1.933 40.834 39.000 -0.164 0.000 1.194 297 F HN 0.212 nan 8.300 nan 0.000 0.438 298 P HA -0.021 nan 4.420 nan 0.000 0.267 298 P C 0.944 178.126 177.300 -0.196 0.000 1.205 298 P CA -0.049 62.820 63.100 -0.385 0.000 0.765 298 P CB 0.989 32.396 31.700 -0.489 0.000 0.828 299 V N 1.093 120.886 119.914 -0.201 0.000 2.871 299 V HA -0.024 4.097 4.120 0.000 0.000 0.256 299 V C 0.616 176.637 176.094 -0.121 0.000 1.082 299 V CA 1.174 63.405 62.300 -0.115 0.000 1.105 299 V CB -1.221 30.551 31.823 -0.085 0.000 0.713 299 V HN 0.621 nan 8.190 nan 0.000 0.473 300 E N -0.332 119.765 120.200 -0.172 0.000 2.446 300 E HA 0.579 4.929 4.350 0.000 0.000 0.276 300 E C -3.295 173.191 176.600 -0.191 0.000 0.969 300 E CA -2.774 53.539 56.400 -0.145 0.000 0.800 300 E CB 1.325 30.949 29.700 -0.125 0.000 1.341 300 E HN 0.047 nan 8.360 nan 0.000 0.460 301 P HA 0.114 nan 4.420 nan 0.000 0.271 301 P C -0.901 176.277 177.300 -0.203 0.000 1.218 301 P CA -0.287 62.710 63.100 -0.173 0.000 0.780 301 P CB 0.671 32.301 31.700 -0.116 0.000 0.901 302 V N 2.968 122.734 119.914 -0.246 0.000 2.483 302 V HA 0.232 4.353 4.120 0.000 0.000 0.297 302 V C -0.176 175.824 176.094 -0.158 0.000 1.027 302 V CA -0.547 61.623 62.300 -0.216 0.000 0.855 302 V CB 1.890 33.523 31.823 -0.317 0.000 0.995 302 V HN 0.546 nan 8.190 nan 0.000 0.424 303 D N 5.450 125.790 120.400 -0.101 0.000 2.280 303 D HA 0.337 4.977 4.640 0.000 0.000 0.243 303 D C -0.862 175.407 176.300 -0.051 0.000 1.129 303 D CA -0.223 53.728 54.000 -0.080 0.000 0.848 303 D CB 1.309 42.075 40.800 -0.057 0.000 1.107 303 D HN 0.418 nan 8.370 nan 0.000 0.471 304 L N 4.050 125.236 121.223 -0.062 0.000 2.301 304 L HA 0.171 4.512 4.340 0.000 0.000 0.278 304 L C -0.155 176.695 176.870 -0.033 0.000 1.022 304 L CA -0.738 54.080 54.840 -0.036 0.000 0.854 304 L CB 1.042 43.075 42.059 -0.044 0.000 1.226 304 L HN 0.390 nan 8.230 nan 0.000 0.429 305 D N 3.506 123.895 120.400 -0.019 0.000 2.689 305 D HA -0.197 4.443 4.640 0.000 0.000 0.237 305 D C 1.221 177.513 176.300 -0.013 0.000 1.148 305 D CA 1.585 55.578 54.000 -0.011 0.000 0.656 305 D CB -0.675 40.122 40.800 -0.004 0.000 1.050 305 D HN 1.064 nan 8.370 nan 0.000 0.426 306 G N -1.652 107.138 108.800 -0.018 0.000 2.225 306 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 306 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 306 G C 0.539 175.429 174.900 -0.016 0.000 0.988 306 G CA 0.469 45.561 45.100 -0.013 0.000 0.625 306 G HN 0.546 nan 8.290 nan 0.000 0.527 307 T N 1.453 115.989 114.554 -0.031 0.000 2.744 307 T HA 0.536 4.886 4.350 0.000 0.000 0.291 307 T C 0.184 174.821 174.700 -0.105 0.000 0.957 307 T CA -0.210 61.870 62.100 -0.033 0.000 1.002 307 T CB 2.108 70.963 68.868 -0.020 0.000 0.919 307 T HN 0.419 nan 8.240 nan 0.000 0.468 308 V N 6.060 125.915 119.914 -0.098 0.000 2.364 308 V HA 0.387 4.508 4.120 0.000 0.000 0.272 308 V C 0.268 176.173 176.094 -0.314 0.000 1.036 308 V CA -0.744 61.459 62.300 -0.160 0.000 0.880 308 V CB 0.805 32.580 31.823 -0.081 0.000 0.991 308 V HN 0.788 nan 8.190 nan 0.000 0.460 309 I N 7.699 127.964 120.570 -0.508 0.000 2.325 309 I HA 0.319 4.489 4.170 0.000 0.000 0.291 309 I C -2.211 173.679 176.117 -0.377 0.000 1.019 309 I CA -1.948 58.870 61.300 -0.804 0.000 1.302 309 I CB 1.621 39.035 38.000 -0.977 0.000 1.401 309 I HN 0.393 nan 8.210 nan 0.000 0.485 310 P HA 0.043 nan 4.420 nan 0.000 0.269 310 P C -0.366 176.881 177.300 -0.089 0.000 1.209 310 P CA -0.302 62.758 63.100 -0.067 0.000 0.776 310 P CB 0.555 32.289 31.700 0.057 0.000 0.876 311 A N 2.776 125.545 122.820 -0.085 0.000 2.567 311 A HA 0.372 4.692 4.320 0.000 0.000 0.240 311 A C 1.593 179.156 177.584 -0.034 0.000 1.053 311 A CA 0.948 52.936 52.037 -0.083 0.000 0.755 311 A CB -1.508 17.449 19.000 -0.073 0.000 0.978 311 A HN 0.895 nan 8.150 nan 0.000 0.507 312 G N 2.114 110.902 108.800 -0.019 0.000 2.217 312 G HA2 -0.203 3.757 3.960 0.000 0.000 0.246 312 G HA3 -0.203 3.757 3.960 0.000 0.000 0.246 312 G C 0.036 174.986 174.900 0.082 0.000 0.990 312 G CA 0.437 45.539 45.100 0.003 0.000 0.627 312 G HN 0.849 nan 8.290 nan 0.000 0.522 313 D N 0.905 121.377 120.400 0.121 0.000 2.358 313 D HA 0.532 5.172 4.640 0.000 0.000 0.244 313 D C 0.665 177.129 176.300 0.273 0.000 1.163 313 D CA 0.523 54.654 54.000 0.217 0.000 0.945 313 D CB 0.694 41.696 40.800 0.336 0.000 1.152 313 D HN 0.055 nan 8.370 nan 0.000 0.451 314 T N 0.719 115.414 114.554 0.234 0.000 2.780 314 T HA 0.406 4.757 4.350 0.000 0.000 0.294 314 T C -0.250 174.456 174.700 0.011 0.000 0.949 314 T CA -0.488 61.621 62.100 0.014 0.000 1.074 314 T CB 0.619 69.338 68.868 -0.249 0.000 0.910 314 T HN -0.034 nan 8.240 nan 0.000 0.501 315 V N 5.520 125.363 119.914 -0.118 0.000 2.487 315 V HA 0.454 4.574 4.120 0.000 0.000 0.298 315 V C -0.309 175.700 176.094 -0.142 0.000 1.028 315 V CA -0.857 61.425 62.300 -0.030 0.000 0.860 315 V CB 1.626 33.459 31.823 0.016 0.000 0.991 315 V HN 0.729 nan 8.190 nan 0.000 0.427 316 L N 5.188 126.366 121.223 -0.076 0.000 2.298 316 L HA 0.525 4.865 4.340 0.000 0.000 0.284 316 L C -0.410 176.405 176.870 -0.091 0.000 1.013 316 L CA -0.816 53.983 54.840 -0.069 0.000 0.824 316 L CB 1.887 43.938 42.059 -0.014 0.000 1.221 316 L HN 0.365 nan 8.230 nan 0.000 0.418 317 V N 4.507 124.341 119.914 -0.134 0.000 2.439 317 V HA 0.043 4.164 4.120 0.000 0.000 0.271 317 V C 0.526 176.516 176.094 -0.173 0.000 1.040 317 V CA -0.423 61.777 62.300 -0.166 0.000 1.002 317 V CB 1.329 33.036 31.823 -0.194 0.000 1.000 317 V HN 0.437 nan 8.190 nan 0.000 0.477 318 V N 7.436 127.219 119.914 -0.219 0.000 2.276 318 V HA 0.115 4.236 4.120 0.000 0.000 0.249 318 V C 1.398 177.312 176.094 -0.300 0.000 1.160 318 V CA -0.045 62.058 62.300 -0.328 0.000 1.042 318 V CB -0.101 31.364 31.823 -0.596 0.000 1.224 318 V HN 0.777 nan 8.190 nan 0.000 0.496 319 L N 2.913 123.980 121.223 -0.260 0.000 2.081 319 L HA -0.209 4.131 4.340 0.000 0.000 0.212 319 L C 2.692 179.323 176.870 -0.398 0.000 1.080 319 L CA 1.835 56.469 54.840 -0.344 0.000 0.754 319 L CB -0.666 41.251 42.059 -0.237 0.000 0.893 319 L HN 0.669 nan 8.230 nan 0.000 0.433 320 A N 0.204 122.907 122.820 -0.195 0.000 1.908 320 A HA -0.303 4.017 4.320 0.000 0.000 0.218 320 A C 1.993 179.650 177.584 0.122 0.000 1.181 320 A CA 2.322 54.380 52.037 0.036 0.000 0.627 320 A CB -0.647 18.385 19.000 0.053 0.000 0.818 320 A HN 0.483 nan 8.150 nan 0.000 0.445 321 D N -0.847 119.526 120.400 -0.045 0.000 2.137 321 D HA 0.083 4.724 4.640 0.000 0.000 0.202 321 D C 2.070 178.422 176.300 0.087 0.000 0.970 321 D CA 1.285 55.328 54.000 0.072 0.000 0.837 321 D CB -0.195 40.584 40.800 -0.035 0.000 0.981 321 D HN 0.324 nan 8.370 nan 0.000 0.475 322 A N -0.160 122.650 122.820 -0.016 0.000 1.927 322 A HA -0.284 4.036 4.320 0.000 0.000 0.220 322 A C 1.909 179.715 177.584 0.371 0.000 1.185 322 A CA 2.039 54.146 52.037 0.117 0.000 0.639 322 A CB -1.271 17.671 19.000 -0.096 0.000 0.820 322 A HN 0.553 nan 8.150 nan 0.000 0.451 323 H N -2.017 117.197 119.070 0.239 0.000 2.529 323 H HA 0.084 4.641 4.556 0.000 0.000 0.277 323 H C 1.148 176.497 175.328 0.035 0.000 0.999 323 H CA 0.313 56.404 56.048 0.072 0.000 1.256 323 H CB 0.292 29.984 29.762 -0.117 0.000 1.402 323 H HN 0.185 nan 8.280 nan 0.000 0.566 324 R N 0.564 121.180 120.500 0.194 0.000 2.466 324 R HA 0.134 4.474 4.340 0.000 0.000 0.279 324 R C -0.150 176.207 176.300 0.095 0.000 0.976 324 R CA -0.024 56.107 56.100 0.052 0.000 1.081 324 R CB -0.180 30.151 30.300 0.051 0.000 1.215 324 R HN 0.039 nan 8.270 nan 0.000 0.546 325 T N 4.000 118.682 114.554 0.213 0.000 2.727 325 T HA 0.110 4.461 4.350 0.000 0.000 0.295 325 T C -1.475 173.275 174.700 0.084 0.000 0.915 325 T CA -1.195 60.996 62.100 0.153 0.000 1.066 325 T CB 1.583 70.571 68.868 0.200 0.000 0.891 325 T HN 0.068 nan 8.240 nan 0.000 0.516 326 P HA -0.054 nan 4.420 nan 0.000 0.221 326 P C 0.917 178.193 177.300 -0.039 0.000 1.150 326 P CA 0.913 64.010 63.100 -0.004 0.000 0.800 326 P CB 0.434 32.131 31.700 -0.005 0.000 0.787 327 E N -0.443 119.729 120.200 -0.047 0.000 2.204 327 E HA -0.159 4.192 4.350 0.000 0.000 0.195 327 E C 2.212 178.697 176.600 -0.192 0.000 0.990 327 E CA 0.962 57.310 56.400 -0.086 0.000 0.821 327 E CB -0.388 29.280 29.700 -0.055 0.000 0.750 327 E HN 0.071 nan 8.360 nan 0.000 0.477 328 R N -0.702 119.621 120.500 -0.296 0.000 2.146 328 R HA 0.175 4.516 4.340 0.000 0.000 0.206 328 R C -0.379 175.400 176.300 -0.868 0.000 1.049 328 R CA 0.607 56.296 56.100 -0.686 0.000 1.029 328 R CB 0.375 30.032 30.300 -1.071 0.000 0.949 328 R HN 0.033 nan 8.270 nan 0.000 0.471 329 F N 1.657 121.517 119.950 -0.149 0.000 2.552 329 F HA 0.470 4.998 4.527 0.000 0.000 0.369 329 F C -2.124 173.619 175.800 -0.096 0.000 1.112 329 F CA -2.749 55.183 58.000 -0.112 0.000 1.129 329 F CB 1.651 40.601 39.000 -0.083 0.000 1.360 329 F HN -0.146 nan 8.300 nan 0.000 0.473 330 P HA -0.055 nan 4.420 nan 0.000 0.267 330 P C 0.065 177.369 177.300 0.007 0.000 1.200 330 P CA 0.490 63.589 63.100 -0.001 0.000 0.772 330 P CB 0.480 32.169 31.700 -0.019 0.000 0.855 331 D N 2.496 122.891 120.400 -0.009 0.000 2.735 331 D HA -0.141 4.499 4.640 0.000 0.000 0.235 331 D C -1.175 175.102 176.300 -0.038 0.000 1.175 331 D CA 0.215 54.209 54.000 -0.010 0.000 0.683 331 D CB -0.475 40.326 40.800 0.002 0.000 1.008 331 D HN 0.258 nan 8.370 nan 0.000 0.416 332 P HA -0.167 nan 4.420 nan 0.000 0.219 332 P C 1.056 178.241 177.300 -0.191 0.000 1.146 332 P CA 1.195 64.185 63.100 -0.185 0.000 0.808 332 P CB -0.022 31.488 31.700 -0.317 0.000 0.779 333 H N -1.403 117.708 119.070 0.068 0.000 2.539 333 H HA 0.133 4.690 4.556 0.000 0.000 0.267 333 H C 1.131 176.563 175.328 0.173 0.000 0.982 333 H CA 0.062 56.177 56.048 0.111 0.000 1.146 333 H CB -0.083 29.711 29.762 0.055 0.000 1.382 333 H HN 0.162 nan 8.280 nan 0.000 0.577 334 R N 1.083 121.661 120.500 0.130 0.000 2.267 334 R HA 0.031 4.371 4.340 0.000 0.000 0.319 334 R C -0.913 175.303 176.300 -0.140 0.000 1.067 334 R CA -0.469 55.639 56.100 0.014 0.000 0.936 334 R CB -0.016 30.273 30.300 -0.017 0.000 1.006 334 R HN -0.083 nan 8.270 nan 0.000 0.452 335 F N 5.342 124.900 119.950 -0.654 0.000 2.434 335 F HA 0.169 4.696 4.527 0.000 0.000 0.358 335 F C -0.709 174.778 175.800 -0.521 0.000 1.136 335 F CA -0.508 56.920 58.000 -0.955 0.000 1.157 335 F CB 0.524 38.425 39.000 -1.833 0.000 1.167 335 F HN 0.497 nan 8.300 nan 0.000 0.539 336 D N 6.858 126.801 120.400 -0.761 0.000 2.473 336 D HA 0.126 4.766 4.640 0.000 0.000 0.253 336 D C 0.930 176.866 176.300 -0.607 0.000 1.233 336 D CA -0.501 53.166 54.000 -0.554 0.000 0.908 336 D CB 0.654 41.282 40.800 -0.286 0.000 1.170 336 D HN 0.602 nan 8.370 nan 0.000 0.558 337 I N 0.767 120.951 120.570 -0.643 0.000 2.916 337 I HA 0.018 4.188 4.170 0.000 0.000 0.267 337 I C 1.192 177.153 176.117 -0.260 0.000 1.263 337 I CA 0.479 61.487 61.300 -0.486 0.000 1.471 337 I CB 0.096 37.873 38.000 -0.372 0.000 1.089 337 I HN 0.080 nan 8.210 nan 0.000 0.468 338 R N 1.344 121.715 120.500 -0.215 0.000 2.334 338 R HA 0.215 4.555 4.340 0.000 0.000 0.216 338 R C 0.873 177.111 176.300 -0.105 0.000 0.905 338 R CA -0.371 55.651 56.100 -0.129 0.000 1.064 338 R CB 0.025 30.263 30.300 -0.102 0.000 1.046 338 R HN 0.400 nan 8.270 nan 0.000 0.508 339 R N 1.837 122.257 120.500 -0.133 0.000 2.734 339 R HA -0.072 4.269 4.340 0.000 0.000 0.266 339 R C -0.453 175.831 176.300 -0.027 0.000 1.044 339 R CA 0.044 56.095 56.100 -0.082 0.000 1.128 339 R CB 0.422 30.657 30.300 -0.109 0.000 1.010 339 R HN -0.190 nan 8.270 nan 0.000 0.461 340 D N 2.089 122.497 120.400 0.013 0.000 2.344 340 D HA -0.004 4.637 4.640 0.000 0.000 0.253 340 D C 0.487 176.864 176.300 0.129 0.000 1.255 340 D CA 0.041 54.068 54.000 0.046 0.000 0.894 340 D CB 1.090 41.906 40.800 0.026 0.000 1.067 340 D HN 0.617 nan 8.370 nan 0.000 0.492 341 T N 0.715 115.348 114.554 0.133 0.000 3.086 341 T HA 0.360 4.711 4.350 0.000 0.000 0.250 341 T C 0.939 175.821 174.700 0.304 0.000 1.074 341 T CA -0.161 62.068 62.100 0.216 0.000 0.988 341 T CB 0.095 69.052 68.868 0.148 0.000 0.988 341 T HN 0.377 nan 8.240 nan 0.000 0.530 342 A N 0.785 123.717 122.820 0.186 0.000 2.540 342 A HA 0.515 4.835 4.320 0.000 0.000 0.239 342 A C 1.695 179.368 177.584 0.148 0.000 1.061 342 A CA 0.350 52.461 52.037 0.123 0.000 0.758 342 A CB -1.041 17.994 19.000 0.057 0.000 0.991 342 A HN 1.489 nan 8.150 nan 0.000 0.502 343 G N 1.260 110.126 108.800 0.110 0.000 2.175 343 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 343 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 343 G C 0.292 175.449 174.900 0.429 0.000 0.982 343 G CA 0.440 45.654 45.100 0.190 0.000 0.641 343 G HN 1.890 nan 8.290 nan 0.000 0.527 344 H N -0.155 119.185 119.070 0.451 0.000 2.757 344 H HA 0.424 4.981 4.556 0.000 0.000 0.370 344 H C 0.859 176.481 175.328 0.489 0.000 1.172 344 H CA 0.181 56.507 56.048 0.463 0.000 1.426 344 H CB 0.759 30.483 29.762 -0.064 0.000 1.438 344 H HN 0.168 nan 8.280 nan 0.000 0.612 345 L N 2.128 123.897 121.223 0.911 0.000 2.818 345 L HA 0.204 4.545 4.340 0.000 0.000 0.243 345 L C 2.225 179.362 176.870 0.445 0.000 1.185 345 L CA 0.216 55.362 54.840 0.510 0.000 0.988 345 L CB 0.062 42.240 42.059 0.198 0.000 1.292 345 L HN 0.764 nan 8.230 nan 0.000 0.519 346 A N 0.180 123.351 122.820 0.585 0.000 2.019 346 A HA -0.083 4.237 4.320 0.000 0.000 0.219 346 A C 1.640 179.128 177.584 -0.160 0.000 1.164 346 A CA 1.409 53.515 52.037 0.115 0.000 0.644 346 A CB -0.434 18.393 19.000 -0.287 0.000 0.805 346 A HN 0.447 nan 8.150 nan 0.000 0.449 347 F N -0.708 119.323 119.950 0.135 0.000 2.641 347 F HA 0.410 4.937 4.527 0.001 0.000 0.302 347 F C 1.569 177.216 175.800 -0.254 0.000 1.098 347 F CA 0.357 58.233 58.000 -0.207 0.000 1.318 347 F CB 0.220 38.889 39.000 -0.551 0.000 1.035 347 F HN 0.477 nan 8.300 nan 0.000 0.551 348 G N 0.744 109.648 108.800 0.173 0.000 2.584 348 G HA2 -0.184 3.776 3.960 0.000 0.000 0.229 348 G HA3 -0.184 3.776 3.960 0.000 0.000 0.229 348 G C -1.264 173.929 174.900 0.488 0.000 1.320 348 G CA -0.215 45.019 45.100 0.224 0.000 0.891 348 G HN 0.611 nan 8.290 nan 0.000 0.573 349 H N -0.947 118.310 119.070 0.312 0.000 3.139 349 H HA 0.666 5.222 4.556 0.000 0.000 0.325 349 H C 0.387 175.813 175.328 0.163 0.000 1.146 349 H CA 1.876 58.090 56.048 0.277 0.000 1.351 349 H CB 0.962 30.801 29.762 0.129 0.000 2.005 349 H HN 2.731 nan 8.280 nan 0.000 0.517 350 G N 2.482 110.979 108.800 -0.505 0.000 2.472 350 G HA2 -0.198 3.762 3.960 0.000 0.000 0.205 350 G HA3 -0.198 3.762 3.960 0.000 0.000 0.205 350 G C 1.220 176.029 174.900 -0.151 0.000 1.270 350 G CA 0.066 44.910 45.100 -0.427 0.000 0.974 350 G HN 1.331 nan 8.290 nan 0.000 0.542 351 I N -2.471 117.982 120.570 -0.196 0.000 2.567 351 I HA 0.019 4.190 4.170 0.000 0.000 0.257 351 I C 1.689 177.627 176.117 -0.298 0.000 1.184 351 I CA 1.911 63.058 61.300 -0.254 0.000 1.451 351 I CB -0.320 37.427 38.000 -0.423 0.000 1.089 351 I HN 0.465 nan 8.210 nan 0.000 0.441 352 H N 0.729 119.751 119.070 -0.080 0.000 2.526 352 H HA 0.185 4.741 4.556 0.000 0.000 0.274 352 H C 0.168 175.556 175.328 0.101 0.000 0.999 352 H CA -0.454 55.598 56.048 0.006 0.000 1.157 352 H CB -0.285 29.440 29.762 -0.062 0.000 1.407 352 H HN 0.346 nan 8.280 nan 0.000 0.568 353 F N 2.072 122.066 119.950 0.072 0.000 2.623 353 F HA -0.104 4.423 4.527 0.000 0.000 0.386 353 F C 0.888 176.736 175.800 0.079 0.000 1.068 353 F CA -0.461 57.593 58.000 0.089 0.000 1.265 353 F CB 0.371 39.402 39.000 0.053 0.000 1.026 353 F HN 0.123 nan 8.300 nan 0.000 0.568 354 C N 8.994 127.959 119.300 -0.558 0.000 2.419 354 C HA -0.062 4.398 4.460 0.000 0.000 0.398 354 C C 1.920 176.745 174.990 -0.275 0.000 1.498 354 C CA -0.061 58.739 59.018 -0.363 0.000 1.494 354 C CB -1.894 25.654 27.740 -0.320 0.000 2.485 354 C HN 0.973 nan 8.230 nan 0.000 0.608 355 I N 4.760 125.225 120.570 -0.176 0.000 2.928 355 I HA 0.094 4.264 4.170 0.000 0.000 0.266 355 I C 2.011 177.955 176.117 -0.287 0.000 1.234 355 I CA 1.517 62.709 61.300 -0.180 0.000 1.483 355 I CB -0.138 37.724 38.000 -0.231 0.000 1.097 355 I HN 0.919 nan 8.210 nan 0.000 0.455 356 G N -0.185 108.414 108.800 -0.337 0.000 2.920 356 G HA2 0.012 3.972 3.960 0.000 0.000 0.208 356 G HA3 0.012 3.972 3.960 0.000 0.000 0.208 356 G C 1.623 176.397 174.900 -0.209 0.000 1.159 356 G CA 0.510 45.454 45.100 -0.260 0.000 0.784 356 G HN 0.481 nan 8.290 nan 0.000 0.535 357 A N 1.968 124.530 122.820 -0.431 0.000 1.892 357 A HA -0.013 4.307 4.320 0.000 0.000 0.218 357 A C 0.669 178.041 177.584 -0.354 0.000 1.188 357 A CA 1.785 53.310 52.037 -0.852 0.000 0.631 357 A CB -1.066 17.154 19.000 -1.301 0.000 0.822 357 A HN 0.356 nan 8.150 nan 0.000 0.447 358 P HA -0.120 nan 4.420 nan 0.000 0.217 358 P C 1.614 178.929 177.300 0.026 0.000 1.150 358 P CA 0.791 63.877 63.100 -0.023 0.000 0.832 358 P CB -0.037 31.680 31.700 0.028 0.000 0.787 359 L N -0.397 120.860 121.223 0.056 0.000 2.072 359 L HA -0.001 4.339 4.340 0.000 0.000 0.205 359 L C 2.189 179.108 176.870 0.082 0.000 1.079 359 L CA 1.836 56.730 54.840 0.090 0.000 0.752 359 L CB -1.574 40.580 42.059 0.157 0.000 0.906 359 L HN -0.137 nan 8.230 nan 0.000 0.436 360 A N -0.350 122.517 122.820 0.079 0.000 1.877 360 A HA -0.217 4.103 4.320 0.000 0.000 0.216 360 A C 2.436 180.113 177.584 0.156 0.000 1.186 360 A CA 1.798 53.920 52.037 0.142 0.000 0.620 360 A CB -0.527 18.634 19.000 0.268 0.000 0.822 360 A HN 0.479 nan 8.150 nan 0.000 0.443 361 R N -1.196 119.394 120.500 0.149 0.000 2.081 361 R HA -0.102 4.238 4.340 0.000 0.000 0.235 361 R C 2.156 178.516 176.300 0.099 0.000 1.131 361 R CA 1.413 57.602 56.100 0.149 0.000 0.960 361 R CB -0.573 29.807 30.300 0.134 0.000 0.856 361 R HN 0.504 nan 8.270 nan 0.000 0.436 362 L N 1.647 122.916 121.223 0.076 0.000 1.989 362 L HA -0.198 4.142 4.340 0.000 0.000 0.211 362 L C 1.824 178.730 176.870 0.060 0.000 1.071 362 L CA 1.882 56.758 54.840 0.060 0.000 0.749 362 L CB -0.335 41.755 42.059 0.051 0.000 0.890 362 L HN 0.144 nan 8.230 nan 0.000 0.431 363 E N -0.409 119.831 120.200 0.067 0.000 2.051 363 E HA -0.235 4.115 4.350 0.000 0.000 0.192 363 E C 2.152 178.787 176.600 0.058 0.000 0.991 363 E CA 1.238 57.675 56.400 0.061 0.000 0.799 363 E CB -0.385 29.355 29.700 0.067 0.000 0.748 363 E HN 0.674 nan 8.360 nan 0.000 0.449 364 A N 1.427 124.290 122.820 0.072 0.000 1.898 364 A HA -0.182 4.139 4.320 0.000 0.000 0.216 364 A C 2.078 179.698 177.584 0.060 0.000 1.181 364 A CA 1.295 53.372 52.037 0.067 0.000 0.620 364 A CB -0.367 18.683 19.000 0.085 0.000 0.819 364 A HN 0.070 nan 8.150 nan 0.000 0.442 365 R N -0.438 120.100 120.500 0.063 0.000 2.073 365 R HA -0.021 4.320 4.340 0.000 0.000 0.234 365 R C 1.980 178.303 176.300 0.038 0.000 1.134 365 R CA 1.649 57.780 56.100 0.052 0.000 0.952 365 R CB -0.484 29.848 30.300 0.054 0.000 0.850 365 R HN 0.560 nan 8.270 nan 0.000 0.433 366 I N 0.528 121.119 120.570 0.036 0.000 2.286 366 I HA -0.244 3.926 4.170 0.000 0.000 0.248 366 I C 2.577 178.706 176.117 0.019 0.000 1.115 366 I CA 1.157 62.472 61.300 0.025 0.000 1.392 366 I CB -0.411 37.604 38.000 0.024 0.000 1.065 366 I HN 0.218 nan 8.210 nan 0.000 0.418 367 A N 0.513 123.348 122.820 0.024 0.000 1.873 367 A HA -0.134 4.186 4.320 0.000 0.000 0.215 367 A C 2.444 180.037 177.584 0.014 0.000 1.186 367 A CA 1.588 53.635 52.037 0.017 0.000 0.616 367 A CB -0.950 18.064 19.000 0.023 0.000 0.823 367 A HN 0.211 nan 8.150 nan 0.000 0.442 368 V N 0.141 120.071 119.914 0.026 0.000 2.295 368 V HA -0.274 3.847 4.120 0.000 0.000 0.246 368 V C 2.684 178.789 176.094 0.019 0.000 1.049 368 V CA 2.398 64.716 62.300 0.029 0.000 1.024 368 V CB -0.808 31.042 31.823 0.044 0.000 0.648 368 V HN 0.688 nan 8.190 nan 0.000 0.447 369 R N 0.190 120.700 120.500 0.017 0.000 2.073 369 R HA -0.175 4.165 4.340 0.000 0.000 0.234 369 R C 2.320 178.619 176.300 -0.003 0.000 1.134 369 R CA 1.772 57.878 56.100 0.010 0.000 0.952 369 R CB -0.527 29.780 30.300 0.011 0.000 0.850 369 R HN 0.470 nan 8.270 nan 0.000 0.433 370 A N 1.113 123.928 122.820 -0.009 0.000 1.883 370 A HA -0.165 4.155 4.320 0.000 0.000 0.217 370 A C 2.226 179.783 177.584 -0.046 0.000 1.186 370 A CA 1.503 53.524 52.037 -0.027 0.000 0.624 370 A CB -0.630 18.353 19.000 -0.028 0.000 0.822 370 A HN 0.376 nan 8.150 nan 0.000 0.444 371 L N -0.695 120.504 121.223 -0.039 0.000 2.056 371 L HA -0.154 4.186 4.340 0.000 0.000 0.207 371 L C 2.550 179.396 176.870 -0.040 0.000 1.078 371 L CA 0.920 55.726 54.840 -0.056 0.000 0.749 371 L CB -0.458 41.584 42.059 -0.029 0.000 0.901 371 L HN 0.377 nan 8.230 nan 0.000 0.433 372 L N -0.710 120.506 121.223 -0.012 0.000 2.072 372 L HA -0.161 4.180 4.340 0.000 0.000 0.205 372 L C 2.418 179.284 176.870 -0.008 0.000 1.079 372 L CA 1.300 56.141 54.840 0.002 0.000 0.752 372 L CB -0.460 41.607 42.059 0.014 0.000 0.906 372 L HN 0.316 nan 8.230 nan 0.000 0.436 373 E N -0.055 120.135 120.200 -0.016 0.000 2.152 373 E HA -0.116 4.235 4.350 0.000 0.000 0.192 373 E C 1.870 178.451 176.600 -0.032 0.000 0.983 373 E CA 0.693 57.083 56.400 -0.018 0.000 0.818 373 E CB 0.228 29.919 29.700 -0.015 0.000 0.758 373 E HN 0.402 nan 8.360 nan 0.000 0.467 374 R N -0.863 119.601 120.500 -0.060 0.000 2.437 374 R HA 0.219 4.560 4.340 0.000 0.000 0.257 374 R C -0.197 176.018 176.300 -0.142 0.000 0.927 374 R CA -0.130 55.915 56.100 -0.092 0.000 1.078 374 R CB 0.853 31.085 30.300 -0.114 0.000 1.161 374 R HN -0.006 nan 8.270 nan 0.000 0.529 375 C N 3.543 122.772 119.300 -0.118 0.000 2.317 375 C HA 0.348 4.808 4.460 0.000 0.000 0.306 375 C C -2.251 172.761 174.990 0.036 0.000 1.087 375 C CA -1.977 56.969 59.018 -0.120 0.000 1.529 375 C CB 0.698 28.355 27.740 -0.139 0.000 1.880 375 C HN 0.171 nan 8.230 nan 0.000 0.417 376 P HA 0.147 nan 4.420 nan 0.000 0.267 376 P C -0.048 177.337 177.300 0.142 0.000 1.205 376 P CA 0.921 64.080 63.100 0.098 0.000 0.765 376 P CB 0.483 32.240 31.700 0.096 0.000 0.828 377 D N -0.740 119.721 120.400 0.101 0.000 2.837 377 D HA -0.183 4.458 4.640 0.000 0.000 0.230 377 D C 0.374 176.752 176.300 0.130 0.000 1.152 377 D CA 0.565 54.623 54.000 0.096 0.000 0.736 377 D CB -1.526 39.321 40.800 0.078 0.000 1.084 377 D HN 0.309 nan 8.370 nan 0.000 0.429 378 L N 0.086 121.399 121.223 0.150 0.000 2.593 378 L HA 0.269 4.609 4.340 0.000 0.000 0.287 378 L C 0.343 177.288 176.870 0.124 0.000 1.243 378 L CA 0.713 55.659 54.840 0.177 0.000 0.890 378 L CB 0.345 42.480 42.059 0.126 0.000 1.134 378 L HN 0.271 nan 8.230 nan 0.000 0.502 379 A N 5.330 128.227 122.820 0.128 0.000 2.594 379 A HA 0.459 4.779 4.320 0.000 0.000 0.295 379 A C -1.048 176.585 177.584 0.080 0.000 1.071 379 A CA -0.776 51.310 52.037 0.081 0.000 0.685 379 A CB 0.803 19.834 19.000 0.051 0.000 1.285 379 A HN 0.755 nan 8.150 nan 0.000 0.405 380 L N 1.186 122.449 121.223 0.066 0.000 2.499 380 L HA 0.073 4.414 4.340 0.000 0.000 0.273 380 L C 0.271 177.164 176.870 0.038 0.000 1.195 380 L CA 0.381 55.262 54.840 0.068 0.000 0.882 380 L CB 0.745 42.852 42.059 0.081 0.000 1.133 380 L HN 0.968 nan 8.230 nan 0.000 0.483 381 D N 2.473 122.887 120.400 0.024 0.000 2.363 381 D HA 0.134 4.774 4.640 0.000 0.000 0.214 381 D C -0.169 176.122 176.300 -0.014 0.000 1.093 381 D CA 0.116 54.113 54.000 -0.006 0.000 0.837 381 D CB 0.388 41.174 40.800 -0.023 0.000 0.948 381 D HN 0.246 nan 8.370 nan 0.000 0.507 382 V N -2.779 117.132 119.914 -0.005 0.000 3.167 382 V HA 0.685 4.806 4.120 0.000 0.000 0.310 382 V C 0.039 176.138 176.094 0.007 0.000 1.207 382 V CA -0.849 61.444 62.300 -0.012 0.000 1.059 382 V CB 1.192 32.995 31.823 -0.033 0.000 1.079 382 V HN 0.032 nan 8.190 nan 0.000 0.446 383 S N 0.077 115.781 115.700 0.006 0.000 2.601 383 S HA 0.491 4.962 4.470 0.000 0.000 0.271 383 S C -1.692 172.936 174.600 0.046 0.000 1.305 383 S CA -0.638 57.578 58.200 0.026 0.000 1.022 383 S CB 0.931 64.142 63.200 0.018 0.000 0.940 383 S HN 0.698 nan 8.310 nan 0.000 0.525 384 P HA -0.047 nan 4.420 nan 0.000 0.216 384 P C 1.660 179.024 177.300 0.106 0.000 1.154 384 P CA 1.806 65.010 63.100 0.173 0.000 0.865 384 P CB -0.473 31.366 31.700 0.231 0.000 0.789 385 G N -0.496 108.349 108.800 0.076 0.000 2.498 385 G HA2 -0.221 3.739 3.960 0.000 0.000 0.219 385 G HA3 -0.221 3.739 3.960 0.000 0.000 0.219 385 G C 1.303 176.219 174.900 0.025 0.000 1.119 385 G CA 0.426 45.560 45.100 0.057 0.000 0.766 385 G HN 0.334 nan 8.290 nan 0.000 0.552 386 E N -0.603 119.597 120.200 0.000 0.000 2.442 386 E HA 0.177 4.528 4.350 0.000 0.000 0.195 386 E C 0.573 177.125 176.600 -0.081 0.000 1.030 386 E CA -0.459 55.922 56.400 -0.031 0.000 0.869 386 E CB 0.182 29.862 29.700 -0.033 0.000 0.857 386 E HN 0.336 nan 8.360 nan 0.000 0.505 387 L N 1.297 122.448 121.223 -0.119 0.000 2.467 387 L HA 0.113 4.453 4.340 0.000 0.000 0.270 387 L C 0.004 176.711 176.870 -0.271 0.000 1.205 387 L CA -0.189 54.486 54.840 -0.274 0.000 0.828 387 L CB 0.821 42.602 42.059 -0.463 0.000 1.101 387 L HN -0.077 nan 8.230 nan 0.000 0.479 388 V N 2.258 121.937 119.914 -0.393 0.000 2.487 388 V HA 0.432 4.553 4.120 0.000 0.000 0.298 388 V C -1.278 174.511 176.094 -0.508 0.000 1.028 388 V CA -0.417 61.696 62.300 -0.311 0.000 0.860 388 V CB 1.513 33.204 31.823 -0.220 0.000 0.991 388 V HN 0.608 nan 8.190 nan 0.000 0.427 389 W N 4.821 125.955 121.300 -0.277 0.000 2.438 389 W HA 0.578 5.238 4.660 0.000 0.000 0.324 389 W C -0.266 176.063 176.519 -0.317 0.000 1.119 389 W CA -0.429 56.748 57.345 -0.279 0.000 1.221 389 W CB 0.777 30.119 29.460 -0.196 0.000 1.253 389 W HN 0.555 nan 8.180 nan 0.000 0.555 390 Y N 3.351 123.650 120.300 -0.001 0.000 2.497 390 Y HA 0.012 4.563 4.550 0.001 0.000 0.334 390 Y C -0.953 174.855 175.900 -0.153 0.000 1.199 390 Y CA -1.235 56.737 58.100 -0.214 0.000 1.425 390 Y CB 0.236 38.627 38.460 -0.115 0.000 1.291 390 Y HN 0.295 nan 8.280 nan 0.000 0.562 391 P HA -0.146 nan 4.420 nan 0.000 0.226 391 P C -0.115 177.255 177.300 0.117 0.000 1.153 391 P CA 0.665 63.775 63.100 0.017 0.000 0.777 391 P CB 0.125 31.839 31.700 0.023 0.000 0.794 392 N N 1.221 120.006 118.700 0.141 0.000 2.217 392 N HA -0.095 4.645 4.740 0.000 0.000 0.268 392 N C -1.449 174.154 175.510 0.155 0.000 1.290 392 N CA -0.266 52.886 53.050 0.169 0.000 0.831 392 N CB 0.793 39.377 38.487 0.162 0.000 1.057 392 N HN 0.020 nan 8.380 nan 0.000 0.481 393 P HA -0.015 nan 4.420 nan 0.000 0.229 393 P C 1.263 178.650 177.300 0.145 0.000 1.160 393 P CA 0.825 64.043 63.100 0.197 0.000 0.777 393 P CB 0.282 32.121 31.700 0.231 0.000 0.814 394 M N -1.539 118.140 119.600 0.132 0.000 2.447 394 M HA 0.095 4.576 4.480 0.000 0.000 0.266 394 M C 0.107 176.450 176.300 0.072 0.000 1.120 394 M CA 0.916 56.275 55.300 0.099 0.000 1.166 394 M CB 0.436 33.100 32.600 0.106 0.000 1.349 394 M HN -0.279 nan 8.290 nan 0.000 0.463 395 I N 0.900 121.524 120.570 0.090 0.000 2.377 395 I HA 0.279 4.450 4.170 0.000 0.000 0.293 395 I C -0.242 175.937 176.117 0.103 0.000 0.987 395 I CA -0.459 60.895 61.300 0.091 0.000 1.185 395 I CB 1.542 39.606 38.000 0.108 0.000 1.341 395 I HN 0.089 nan 8.210 nan 0.000 0.455 396 R N 4.274 124.835 120.500 0.101 0.000 2.239 396 R HA 0.689 5.029 4.340 0.000 0.000 0.332 396 R C -0.632 175.855 176.300 0.312 0.000 0.988 396 R CA -0.269 55.914 56.100 0.139 0.000 0.859 396 R CB 0.860 31.175 30.300 0.025 0.000 1.148 396 R HN 0.844 nan 8.270 nan 0.000 0.482 397 G N 3.545 112.620 108.800 0.458 0.000 2.742 397 G HA2 0.391 4.351 3.960 0.000 0.000 0.296 397 G HA3 0.391 4.351 3.960 0.000 0.000 0.296 397 G C -1.549 173.436 174.900 0.142 0.000 1.436 397 G CA -0.809 44.485 45.100 0.323 0.000 0.928 397 G HN 0.443 nan 8.290 nan 0.000 0.520 398 L N 1.323 122.373 121.223 -0.288 0.000 2.399 398 L HA 0.365 4.706 4.340 0.000 0.000 0.266 398 L C 1.680 178.270 176.870 -0.467 0.000 1.114 398 L CA -0.809 53.618 54.840 -0.689 0.000 0.804 398 L CB 1.575 43.136 42.059 -0.829 0.000 1.146 398 L HN 0.600 nan 8.230 nan 0.000 0.451 399 K N 1.558 121.545 120.400 -0.688 0.000 2.155 399 K HA 0.143 4.464 4.320 0.000 0.000 0.203 399 K C 0.225 176.711 176.600 -0.191 0.000 1.052 399 K CA 0.880 56.826 56.287 -0.569 0.000 0.948 399 K CB 0.183 32.340 32.500 -0.572 0.000 0.728 399 K HN 0.704 nan 8.250 nan 0.000 0.448 400 A N 0.613 123.292 122.820 -0.235 0.000 2.608 400 A HA 0.519 4.839 4.320 0.000 0.000 0.292 400 A C -2.012 175.460 177.584 -0.187 0.000 1.066 400 A CA -0.729 51.232 52.037 -0.126 0.000 0.676 400 A CB 1.463 20.403 19.000 -0.100 0.000 1.277 400 A HN 0.049 nan 8.150 nan 0.000 0.413 401 L N 1.730 122.892 121.223 -0.101 0.000 2.481 401 L HA 0.510 4.850 4.340 0.000 0.000 0.255 401 L C -2.763 174.094 176.870 -0.021 0.000 1.192 401 L CA -1.916 52.867 54.840 -0.096 0.000 0.924 401 L CB 1.079 43.096 42.059 -0.070 0.000 1.179 401 L HN 0.319 nan 8.230 nan 0.000 0.491 402 P HA 0.249 nan 4.420 nan 0.000 0.267 402 P C -0.517 176.804 177.300 0.035 0.000 1.209 402 P CA 0.429 63.529 63.100 0.000 0.000 0.763 402 P CB 0.382 32.065 31.700 -0.027 0.000 0.816 403 I N 0.942 121.560 120.570 0.080 0.000 3.145 403 I HA 0.845 5.016 4.170 0.000 0.000 0.313 403 I C -0.367 175.807 176.117 0.095 0.000 1.122 403 I CA -1.635 59.741 61.300 0.127 0.000 0.987 403 I CB 2.772 40.900 38.000 0.214 0.000 1.236 403 I HN 0.276 nan 8.210 nan 0.000 0.453 404 R N 1.498 122.056 120.500 0.096 0.000 2.764 404 R HA 0.790 5.130 4.340 0.000 0.000 0.270 404 R C -2.184 174.177 176.300 0.101 0.000 1.014 404 R CA -0.726 55.291 56.100 -0.139 0.000 0.904 404 R CB 1.444 31.622 30.300 -0.202 0.000 1.236 404 R HN 0.955 nan 8.270 nan 0.000 0.466 405 W N -1.606 119.698 121.300 0.006 0.000 3.018 405 W HA 0.819 5.480 4.660 0.001 0.000 0.382 405 W C -0.496 176.026 176.519 0.006 0.000 1.161 405 W CA -0.946 56.403 57.345 0.007 0.000 1.144 405 W CB -0.081 29.384 29.460 0.009 0.000 1.499 405 W HN 0.905 nan 8.180 nan 0.000 0.596 406 R N 0.000 120.641 120.500 0.236 0.000 2.786 406 R HA 0.000 4.340 4.340 0.000 0.000 0.208 406 R CA 0.000 56.165 56.100 0.109 0.000 0.921 406 R CB 0.000 30.365 30.300 0.109 0.000 0.687 406 R HN 0.000 nan 8.270 nan 0.000 0.535