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 2p8u_1_A DATA FIRST_RESID 9 DATA SEQUENCE NLYFQSMDVG IVALEIYFPS QYVDQAELEK YDGVDAGKYT IGLGQAKMGF DATA SEQUENCE CTDREDINSL CMTVVQNLME RNNLSYDCIG RLEVGTETII DKSKSVKTNL DATA SEQUENCE MQLFEESGNT DIEGIDTTNA XYGGTAAVFN AVNWIESSSW DGRYALVVAG DATA SEQUENCE DIAVYATGNA RPTGGVGAVA LLIGPNAPLI FERGLRGTHM QHAYDFYKPD DATA SEQUENCE MLSEYPIVDG KLSIQCYLSA LDRCYSVYCK KIHAQWQKEG NDKDFTLNDF DATA SEQUENCE GFMIFHSPYC KLVQKSLARM LLNDFLNDQN RDKNSIYSGL EAFGDVKLED DATA SEQUENCE TYFDRDVEKA FMKASSELFS QKTKASLLVS NQNGNMYTSS VYGSLASVLA DATA SEQUENCE QYSPQQLAGK RIGVFSYGSG LAATLYSLKV TQDATPGSAL DKITASLCDL DATA SEQUENCE KSRLDSRTGV APDVFAENMK LREDTHHLVN YIPQGSIDSL FEGTWYLVRV DATA SEQUENCE DEKHRRTYAR RP 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.488 175.510 -0.037 0.000 1.280 9 N CA 0.000 53.042 53.050 -0.014 0.000 0.885 9 N CB 0.000 38.519 38.487 0.054 0.000 1.341 10 L N -0.205 120.973 121.223 -0.074 0.000 2.376 10 L HA 0.429 4.769 4.340 0.001 0.000 0.219 10 L C 2.737 179.551 176.870 -0.093 0.000 1.133 10 L CA 2.476 57.283 54.840 -0.054 0.000 0.816 10 L CB -2.520 39.512 42.059 -0.044 0.000 0.933 10 L HN 1.132 nan 8.230 nan 0.000 0.449 11 Y N -1.583 118.584 120.300 -0.222 0.000 2.133 11 Y HA -0.164 4.387 4.550 0.001 0.000 0.287 11 Y C 2.341 178.127 175.900 -0.190 0.000 1.134 11 Y CA 1.733 59.666 58.100 -0.279 0.000 1.133 11 Y CB -1.071 37.098 38.460 -0.485 0.000 0.987 11 Y HN 0.432 nan 8.280 nan 0.000 0.502 12 F N 0.511 120.446 119.950 -0.024 0.000 2.234 12 F HA -0.022 4.506 4.527 0.001 0.000 0.299 12 F C 2.871 178.661 175.800 -0.018 0.000 1.087 12 F CA 1.227 59.206 58.000 -0.035 0.000 1.340 12 F CB -1.214 37.763 39.000 -0.037 0.000 1.031 12 F HN 0.419 nan 8.300 nan 0.000 0.500 13 Q N 0.651 120.538 119.800 0.144 0.000 2.084 13 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 13 Q C 2.332 178.374 176.000 0.071 0.000 0.978 13 Q CA 2.151 58.012 55.803 0.097 0.000 0.844 13 Q CB -1.634 27.143 28.738 0.064 0.000 0.898 13 Q HN 0.534 nan 8.270 nan 0.000 0.426 14 S N -0.018 115.711 115.700 0.048 0.000 2.419 14 S HA -0.114 4.357 4.470 0.001 0.000 0.233 14 S C 2.099 176.728 174.600 0.047 0.000 1.016 14 S CA 1.579 59.802 58.200 0.039 0.000 0.974 14 S CB -0.283 62.931 63.200 0.023 0.000 0.786 14 S HN 0.590 nan 8.310 nan 0.000 0.492 15 M N 1.078 120.708 119.600 0.051 0.000 2.200 15 M HA -0.001 4.479 4.480 0.001 0.000 0.265 15 M C 0.021 176.341 176.300 0.033 0.000 1.066 15 M CA 1.001 56.315 55.300 0.024 0.000 1.127 15 M CB -1.137 31.461 32.600 -0.004 0.000 1.379 15 M HN 0.167 nan 8.290 nan 0.000 0.420 16 D N 1.358 121.794 120.400 0.060 0.000 2.697 16 D HA -0.114 4.527 4.640 0.001 0.000 0.235 16 D C -0.669 175.680 176.300 0.083 0.000 1.167 16 D CA 0.238 54.284 54.000 0.076 0.000 0.656 16 D CB -1.316 39.526 40.800 0.071 0.000 1.025 16 D HN 0.071 nan 8.370 nan 0.000 0.419 17 V N -0.285 119.676 119.914 0.079 0.000 2.655 17 V HA 0.551 4.671 4.120 0.001 0.000 0.300 17 V C 1.515 177.774 176.094 0.275 0.000 1.044 17 V CA 1.104 63.462 62.300 0.097 0.000 1.095 17 V CB 1.423 33.248 31.823 0.002 0.000 0.952 17 V HN 0.492 nan 8.190 nan 0.000 0.485 18 G N 3.880 112.851 108.800 0.284 0.000 2.490 18 G HA2 0.504 4.465 3.960 0.001 0.000 0.308 18 G HA3 0.504 4.465 3.960 0.001 0.000 0.308 18 G C -1.335 173.706 174.900 0.235 0.000 1.286 18 G CA -1.021 44.249 45.100 0.283 0.000 0.825 18 G HN 0.537 nan 8.290 nan 0.000 0.479 19 I N 1.724 122.343 120.570 0.082 0.000 2.337 19 I HA 0.218 4.388 4.170 0.001 0.000 0.291 19 I C 1.514 177.662 176.117 0.052 0.000 1.046 19 I CA -0.404 60.942 61.300 0.076 0.000 1.324 19 I CB 1.576 39.583 38.000 0.011 0.000 1.409 19 I HN 0.409 nan 8.210 nan 0.000 0.494 20 V N 3.159 123.109 119.914 0.059 0.000 3.431 20 V HA 0.545 4.666 4.120 0.001 0.000 0.253 20 V C 0.702 176.790 176.094 -0.009 0.000 1.184 20 V CA 0.422 62.748 62.300 0.043 0.000 1.104 20 V CB -0.022 31.855 31.823 0.089 0.000 0.799 20 V HN 0.692 nan 8.190 nan 0.000 0.462 21 A N 0.065 122.864 122.820 -0.034 0.000 2.594 21 A HA 0.835 5.156 4.320 0.001 0.000 0.295 21 A C -1.533 176.033 177.584 -0.029 0.000 1.071 21 A CA -0.493 51.517 52.037 -0.045 0.000 0.685 21 A CB 2.150 21.096 19.000 -0.090 0.000 1.285 21 A HN 0.554 nan 8.150 nan 0.000 0.405 22 L N 0.993 122.207 121.223 -0.016 0.000 2.482 22 L HA 0.724 5.064 4.340 0.001 0.000 0.269 22 L C -1.061 175.813 176.870 0.006 0.000 0.967 22 L CA -0.316 54.525 54.840 0.002 0.000 0.851 22 L CB 1.760 43.834 42.059 0.025 0.000 1.242 22 L HN 0.840 nan 8.230 nan 0.000 0.404 23 E N 4.483 124.688 120.200 0.009 0.000 2.183 23 E HA 0.582 4.933 4.350 0.001 0.000 0.271 23 E C -1.583 175.046 176.600 0.048 0.000 0.919 23 E CA -0.370 56.039 56.400 0.015 0.000 0.781 23 E CB 2.139 31.841 29.700 0.003 0.000 1.140 23 E HN 0.601 nan 8.360 nan 0.000 0.402 24 I N 4.051 124.652 120.570 0.051 0.000 2.608 24 I HA 0.528 4.698 4.170 0.001 0.000 0.295 24 I C -1.806 174.326 176.117 0.026 0.000 1.049 24 I CA -1.059 60.295 61.300 0.090 0.000 1.063 24 I CB 1.116 39.203 38.000 0.145 0.000 1.248 24 I HN 0.665 nan 8.210 nan 0.000 0.424 25 Y N 7.851 128.120 120.300 -0.051 0.000 2.406 25 Y HA 0.679 5.230 4.550 0.001 0.000 0.340 25 Y C -1.762 174.118 175.900 -0.033 0.000 0.975 25 Y CA -1.049 56.943 58.100 -0.179 0.000 1.056 25 Y CB 1.458 39.887 38.460 -0.053 0.000 1.210 25 Y HN 0.452 nan 8.280 nan 0.000 0.448 26 F N 5.187 124.590 119.950 -0.912 0.000 2.613 26 F HA 0.863 5.391 4.527 0.001 0.000 0.310 26 F C -2.980 172.390 175.800 -0.717 0.000 1.085 26 F CA -3.060 54.563 58.000 -0.628 0.000 0.945 26 F CB 0.891 39.771 39.000 -0.199 0.000 1.298 26 F HN 0.227 nan 8.300 nan 0.000 0.455 27 P HA 0.114 nan 4.420 nan 0.000 0.273 27 P C 0.198 177.523 177.300 0.041 0.000 1.250 27 P CA -0.257 62.843 63.100 -0.000 0.000 0.793 27 P CB 1.095 32.807 31.700 0.020 0.000 1.011 28 S N -1.925 113.596 115.700 -0.297 0.000 2.605 28 S HA 0.033 4.503 4.470 0.001 0.000 0.217 28 S C 0.645 175.077 174.600 -0.279 0.000 0.958 28 S CA -0.326 57.529 58.200 -0.576 0.000 0.919 28 S CB -0.460 62.041 63.200 -1.164 0.000 0.780 28 S HN 0.570 nan 8.310 nan 0.000 0.507 29 Q N 0.376 120.010 119.800 -0.277 0.000 2.423 29 Q HA 0.560 4.900 4.340 0.001 0.000 0.278 29 Q C -1.274 174.523 176.000 -0.339 0.000 1.097 29 Q CA -1.043 54.528 55.803 -0.387 0.000 0.809 29 Q CB 1.372 29.759 28.738 -0.585 0.000 1.391 29 Q HN 0.473 nan 8.270 nan 0.000 0.428 30 Y N -2.003 118.197 120.300 -0.167 0.000 2.615 30 Y HA 0.782 5.332 4.550 0.001 0.000 0.341 30 Y C -1.475 174.566 175.900 0.235 0.000 1.089 30 Y CA -1.437 56.686 58.100 0.039 0.000 1.049 30 Y CB 1.366 39.819 38.460 -0.011 0.000 1.296 30 Y HN 0.455 nan 8.280 nan 0.000 0.470 31 V N 2.329 122.438 119.914 0.325 0.000 2.483 31 V HA 0.291 4.411 4.120 0.001 0.000 0.295 31 V C -0.600 175.592 176.094 0.163 0.000 1.035 31 V CA -0.576 61.743 62.300 0.033 0.000 0.896 31 V CB 1.339 32.844 31.823 -0.530 0.000 0.986 31 V HN 0.965 nan 8.190 nan 0.000 0.447 32 D N 4.955 125.458 120.400 0.172 0.000 2.348 32 D HA 0.117 4.758 4.640 0.001 0.000 0.253 32 D C 0.674 177.012 176.300 0.063 0.000 1.161 32 D CA -0.286 53.814 54.000 0.167 0.000 0.876 32 D CB 1.668 42.576 40.800 0.179 0.000 1.160 32 D HN 0.622 nan 8.370 nan 0.000 0.459 33 Q N 2.944 122.778 119.800 0.056 0.000 2.119 33 Q HA -0.134 4.207 4.340 0.001 0.000 0.201 33 Q C 1.916 178.005 176.000 0.148 0.000 0.972 33 Q CA 1.151 57.014 55.803 0.100 0.000 0.847 33 Q CB -0.262 28.532 28.738 0.093 0.000 0.903 33 Q HN 0.692 nan 8.270 nan 0.000 0.433 34 A N 1.435 124.305 122.820 0.084 0.000 1.940 34 A HA -0.223 4.098 4.320 0.001 0.000 0.219 34 A C 1.950 179.569 177.584 0.057 0.000 1.176 34 A CA 1.608 53.676 52.037 0.051 0.000 0.631 34 A CB -0.396 18.624 19.000 0.033 0.000 0.814 34 A HN 0.401 nan 8.150 nan 0.000 0.446 35 E N -0.877 119.365 120.200 0.069 0.000 2.107 35 E HA -0.132 4.218 4.350 0.001 0.000 0.191 35 E C 1.896 178.565 176.600 0.114 0.000 0.982 35 E CA 0.943 57.387 56.400 0.075 0.000 0.809 35 E CB -0.236 29.498 29.700 0.057 0.000 0.756 35 E HN 0.458 nan 8.360 nan 0.000 0.459 36 L N 1.889 123.184 121.223 0.121 0.000 2.083 36 L HA -0.195 4.146 4.340 0.001 0.000 0.209 36 L C 1.881 178.940 176.870 0.316 0.000 1.083 36 L CA 1.765 56.727 54.840 0.203 0.000 0.752 36 L CB -0.260 41.878 42.059 0.131 0.000 0.899 36 L HN 0.056 nan 8.230 nan 0.000 0.433 37 E N -0.630 119.683 120.200 0.187 0.000 2.058 37 E HA -0.280 4.071 4.350 0.001 0.000 0.194 37 E C 2.154 178.739 176.600 -0.026 0.000 0.997 37 E CA 1.749 58.078 56.400 -0.118 0.000 0.801 37 E CB -0.130 29.413 29.700 -0.263 0.000 0.746 37 E HN 0.493 nan 8.360 nan 0.000 0.450 38 K N -0.055 120.364 120.400 0.031 0.000 2.026 38 K HA -0.195 4.126 4.320 0.001 0.000 0.208 38 K C 2.170 178.817 176.600 0.078 0.000 1.048 38 K CA 1.357 57.666 56.287 0.036 0.000 0.929 38 K CB -0.325 32.201 32.500 0.044 0.000 0.713 38 K HN 0.159 nan 8.250 nan 0.000 0.439 39 Y N 2.468 122.786 120.300 0.030 0.000 2.128 39 Y HA -0.248 4.302 4.550 0.001 0.000 0.284 39 Y C 1.476 177.405 175.900 0.048 0.000 1.154 39 Y CA 1.751 59.878 58.100 0.045 0.000 1.149 39 Y CB -0.060 38.441 38.460 0.069 0.000 0.976 39 Y HN 0.075 nan 8.280 nan 0.000 0.505 40 D N -0.432 120.053 120.400 0.142 0.000 2.363 40 D HA 0.065 4.706 4.640 0.001 0.000 0.220 40 D C 1.588 177.868 176.300 -0.034 0.000 0.994 40 D CA 1.218 55.256 54.000 0.064 0.000 0.890 40 D CB -0.536 40.403 40.800 0.231 0.000 0.906 40 D HN 0.519 nan 8.370 nan 0.000 0.530 41 G N 0.954 109.720 108.800 -0.056 0.000 2.221 41 G HA2 -0.230 3.730 3.960 0.001 0.000 0.265 41 G HA3 -0.230 3.730 3.960 0.001 0.000 0.265 41 G C 0.513 175.368 174.900 -0.075 0.000 1.041 41 G CA 0.603 45.661 45.100 -0.071 0.000 0.807 41 G HN 0.449 nan 8.290 nan 0.000 0.502 42 V N -3.358 116.492 119.914 -0.106 0.000 3.109 42 V HA 0.753 4.873 4.120 0.001 0.000 0.317 42 V C 0.463 176.457 176.094 -0.166 0.000 1.074 42 V CA -1.339 60.869 62.300 -0.153 0.000 1.033 42 V CB 1.509 33.186 31.823 -0.244 0.000 1.111 42 V HN 0.106 nan 8.190 nan 0.000 0.458 43 D N 1.892 122.201 120.400 -0.151 0.000 2.443 43 D HA 0.363 5.003 4.640 0.001 0.000 0.239 43 D C 0.587 176.793 176.300 -0.155 0.000 1.136 43 D CA 0.869 54.795 54.000 -0.124 0.000 0.879 43 D CB 1.358 42.100 40.800 -0.097 0.000 1.195 43 D HN 1.122 nan 8.370 nan 0.000 0.443 44 A N 1.408 124.161 122.820 -0.113 0.000 2.565 44 A HA 0.398 4.719 4.320 0.001 0.000 0.237 44 A C 1.516 179.039 177.584 -0.102 0.000 1.053 44 A CA 0.731 52.706 52.037 -0.103 0.000 0.755 44 A CB -0.117 18.845 19.000 -0.063 0.000 0.980 44 A HN 0.851 nan 8.150 nan 0.000 0.506 45 G N 1.563 110.300 108.800 -0.105 0.000 2.241 45 G HA2 -0.336 3.625 3.960 0.001 0.000 0.244 45 G HA3 -0.336 3.625 3.960 0.001 0.000 0.244 45 G C 1.203 176.050 174.900 -0.088 0.000 0.998 45 G CA 1.009 46.064 45.100 -0.074 0.000 0.621 45 G HN 0.982 nan 8.290 nan 0.000 0.519 46 K N -0.577 119.717 120.400 -0.177 0.000 2.059 46 K HA -0.174 4.147 4.320 0.001 0.000 0.212 46 K C 2.095 178.693 176.600 -0.004 0.000 1.050 46 K CA 2.395 58.580 56.287 -0.170 0.000 0.927 46 K CB -0.249 32.043 32.500 -0.346 0.000 0.714 46 K HN 0.513 nan 8.250 nan 0.000 0.447 47 Y N -0.217 120.056 120.300 -0.044 0.000 2.262 47 Y HA -0.033 4.518 4.550 0.001 0.000 0.295 47 Y C 2.748 178.628 175.900 -0.034 0.000 1.121 47 Y CA 1.225 59.294 58.100 -0.051 0.000 1.144 47 Y CB -1.178 37.254 38.460 -0.048 0.000 1.043 47 Y HN 0.243 nan 8.280 nan 0.000 0.528 48 T N -1.755 112.869 114.554 0.116 0.000 2.904 48 T HA -0.042 4.309 4.350 0.001 0.000 0.267 48 T C 1.766 176.491 174.700 0.043 0.000 1.059 48 T CA 1.474 63.612 62.100 0.064 0.000 1.137 48 T CB -0.475 68.413 68.868 0.034 0.000 0.879 48 T HN 0.281 nan 8.240 nan 0.000 0.467 49 I N 0.526 121.114 120.570 0.030 0.000 3.136 49 I HA 0.299 4.470 4.170 0.001 0.000 0.262 49 I C 2.991 179.124 176.117 0.026 0.000 1.132 49 I CA 0.446 61.757 61.300 0.019 0.000 1.450 49 I CB -0.730 37.270 38.000 0.001 0.000 1.315 49 I HN 0.339 nan 8.210 nan 0.000 0.460 50 G N 2.058 110.871 108.800 0.022 0.000 2.514 50 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 50 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 50 G C 1.613 176.539 174.900 0.043 0.000 1.198 50 G CA 0.958 46.072 45.100 0.023 0.000 0.780 50 G HN 0.240 nan 8.290 nan 0.000 0.565 51 L N 0.166 121.418 121.223 0.049 0.000 2.341 51 L HA 0.275 4.616 4.340 0.001 0.000 0.214 51 L C 2.022 178.987 176.870 0.158 0.000 1.115 51 L CA 0.479 55.357 54.840 0.063 0.000 0.820 51 L CB -0.243 41.773 42.059 -0.072 0.000 0.944 51 L HN 0.450 nan 8.230 nan 0.000 0.452 52 G N 0.303 109.160 108.800 0.095 0.000 2.182 52 G HA2 -0.200 3.760 3.960 0.001 0.000 0.248 52 G HA3 -0.200 3.760 3.960 0.001 0.000 0.248 52 G C -0.072 174.865 174.900 0.063 0.000 1.042 52 G CA -0.247 44.898 45.100 0.075 0.000 0.775 52 G HN 0.255 nan 8.290 nan 0.000 0.501 53 Q N -1.095 118.739 119.800 0.058 0.000 2.333 53 Q HA 0.773 5.113 4.340 0.001 0.000 0.267 53 Q C 0.810 176.819 176.000 0.015 0.000 1.012 53 Q CA 0.073 55.893 55.803 0.029 0.000 0.824 53 Q CB 1.777 30.525 28.738 0.018 0.000 1.290 53 Q HN 0.587 nan 8.270 nan 0.000 0.449 54 A N 2.764 125.569 122.820 -0.024 0.000 1.963 54 A HA 0.222 4.542 4.320 0.001 0.000 0.207 54 A C 0.115 177.659 177.584 -0.067 0.000 1.243 54 A CA 0.757 52.769 52.037 -0.042 0.000 0.728 54 A CB 0.563 19.520 19.000 -0.071 0.000 0.895 54 A HN 0.503 nan 8.150 nan 0.000 0.467 55 K N -1.100 119.230 120.400 -0.116 0.000 2.502 55 K HA 0.587 4.907 4.320 0.001 0.000 0.257 55 K C -1.435 175.118 176.600 -0.078 0.000 0.938 55 K CA -0.270 55.936 56.287 -0.136 0.000 0.819 55 K CB 2.396 34.616 32.500 -0.466 0.000 1.333 55 K HN 0.282 nan 8.250 nan 0.000 0.434 56 M N 1.721 121.327 119.600 0.010 0.000 2.134 56 M HA 0.385 4.866 4.480 0.001 0.000 0.310 56 M C -0.374 176.030 176.300 0.174 0.000 0.966 56 M CA -0.386 54.932 55.300 0.031 0.000 0.922 56 M CB 1.448 34.020 32.600 -0.048 0.000 1.537 56 M HN 0.802 nan 8.290 nan 0.000 0.424 57 G N 4.114 113.002 108.800 0.147 0.000 2.544 57 G HA2 0.477 4.438 3.960 0.001 0.000 0.242 57 G HA3 0.477 4.438 3.960 0.001 0.000 0.242 57 G C -1.041 174.048 174.900 0.314 0.000 1.247 57 G CA -0.348 44.861 45.100 0.182 0.000 0.840 57 G HN 0.818 nan 8.290 nan 0.000 0.578 58 F N -0.996 119.045 119.950 0.152 0.000 2.686 58 F HA 0.631 5.159 4.527 0.001 0.000 0.311 58 F C -0.736 175.155 175.800 0.152 0.000 1.128 58 F CA -1.806 56.304 58.000 0.182 0.000 0.946 58 F CB 0.556 39.739 39.000 0.305 0.000 1.336 58 F HN 0.520 nan 8.300 nan 0.000 0.457 59 C N 1.620 121.100 119.300 0.300 0.000 2.366 59 C HA 0.761 5.222 4.460 0.001 0.000 0.345 59 C C 0.836 175.975 174.990 0.248 0.000 1.209 59 C CA 0.020 59.144 59.018 0.177 0.000 2.050 59 C CB 1.245 29.105 27.740 0.200 0.000 2.359 59 C HN 1.021 nan 8.230 nan 0.000 0.527 60 T N -0.938 113.699 114.554 0.139 0.000 2.732 60 T HA 0.147 4.497 4.350 0.001 0.000 0.287 60 T C 0.934 175.724 174.700 0.150 0.000 0.993 60 T CA 0.219 62.409 62.100 0.149 0.000 0.966 60 T CB 0.399 69.315 68.868 0.080 0.000 1.047 60 T HN 0.753 nan 8.240 nan 0.000 0.527 61 D N -0.803 119.679 120.400 0.137 0.000 2.378 61 D HA -0.102 4.539 4.640 0.001 0.000 0.222 61 D C 1.625 178.029 176.300 0.173 0.000 0.980 61 D CA 0.422 54.520 54.000 0.163 0.000 0.907 61 D CB -0.183 40.719 40.800 0.171 0.000 0.899 61 D HN 0.341 nan 8.370 nan 0.000 0.527 62 R N 0.115 120.703 120.500 0.147 0.000 2.275 62 R HA 0.192 4.532 4.340 0.001 0.000 0.199 62 R C 0.123 176.565 176.300 0.237 0.000 0.989 62 R CA 0.276 56.478 56.100 0.170 0.000 1.016 62 R CB 0.160 30.519 30.300 0.097 0.000 0.918 62 R HN 0.463 nan 8.270 nan 0.000 0.473 63 E N 1.078 121.410 120.200 0.219 0.000 2.222 63 E HA 0.169 4.520 4.350 0.001 0.000 0.267 63 E C -0.958 175.779 176.600 0.229 0.000 0.884 63 E CA -0.675 55.870 56.400 0.242 0.000 0.764 63 E CB 1.898 31.741 29.700 0.237 0.000 1.169 63 E HN 0.050 nan 8.360 nan 0.000 0.413 64 D N 1.061 121.603 120.400 0.236 0.000 2.732 64 D HA 0.118 4.759 4.640 0.001 0.000 0.292 64 D C 0.525 176.918 176.300 0.156 0.000 1.135 64 D CA -0.772 53.351 54.000 0.206 0.000 1.071 64 D CB 0.395 41.334 40.800 0.233 0.000 1.457 64 D HN 0.350 nan 8.370 nan 0.000 0.547 65 I N 0.510 121.157 120.570 0.128 0.000 2.264 65 I HA -0.204 3.966 4.170 0.001 0.000 0.248 65 I C 1.240 177.364 176.117 0.012 0.000 1.111 65 I CA 1.597 62.949 61.300 0.086 0.000 1.382 65 I CB -0.710 37.342 38.000 0.086 0.000 1.060 65 I HN 0.327 nan 8.210 nan 0.000 0.418 66 N N 0.266 118.944 118.700 -0.036 0.000 2.106 66 N HA -0.163 4.577 4.740 0.001 0.000 0.188 66 N C 2.118 177.427 175.510 -0.334 0.000 1.029 66 N CA 1.808 54.719 53.050 -0.232 0.000 0.848 66 N CB -0.698 37.559 38.487 -0.383 0.000 1.007 66 N HN 0.570 nan 8.380 nan 0.000 0.423 67 S N 1.338 116.908 115.700 -0.217 0.000 2.382 67 S HA -0.018 4.453 4.470 0.001 0.000 0.228 67 S C 2.192 176.762 174.600 -0.050 0.000 1.027 67 S CA 0.559 58.703 58.200 -0.092 0.000 0.991 67 S CB -0.705 62.619 63.200 0.206 0.000 0.823 67 S HN 0.217 nan 8.310 nan 0.000 0.469 68 L N 0.641 121.866 121.223 0.005 0.000 2.012 68 L HA -0.129 4.212 4.340 0.001 0.000 0.210 68 L C 2.948 179.797 176.870 -0.035 0.000 1.073 68 L CA 1.414 56.270 54.840 0.027 0.000 0.748 68 L CB -0.946 41.210 42.059 0.162 0.000 0.891 68 L HN 0.471 nan 8.230 nan 0.000 0.431 69 C N -0.682 118.586 119.300 -0.054 0.000 2.466 69 C HA -0.104 4.357 4.460 0.001 0.000 0.278 69 C C 2.881 177.795 174.990 -0.127 0.000 1.288 69 C CA 0.461 59.439 59.018 -0.067 0.000 1.722 69 C CB -0.539 27.158 27.740 -0.072 0.000 2.017 69 C HN 0.478 nan 8.230 nan 0.000 0.488 70 M N 0.508 119.962 119.600 -0.243 0.000 2.117 70 M HA -0.155 4.326 4.480 0.001 0.000 0.262 70 M C 2.183 178.384 176.300 -0.166 0.000 1.065 70 M CA 1.867 56.934 55.300 -0.389 0.000 1.114 70 M CB -0.931 31.140 32.600 -0.882 0.000 1.361 70 M HN 0.414 nan 8.290 nan 0.000 0.408 71 T N 0.158 114.677 114.554 -0.058 0.000 2.674 71 T HA -0.151 4.199 4.350 0.001 0.000 0.265 71 T C 1.815 176.487 174.700 -0.047 0.000 1.039 71 T CA 1.644 63.738 62.100 -0.009 0.000 1.150 71 T CB -0.452 68.164 68.868 -0.420 0.000 0.864 71 T HN 0.241 nan 8.240 nan 0.000 0.427 72 V N 1.122 121.000 119.914 -0.060 0.000 2.427 72 V HA -0.110 4.010 4.120 0.001 0.000 0.248 72 V C 2.451 178.552 176.094 0.012 0.000 1.051 72 V CA 1.330 63.641 62.300 0.017 0.000 1.048 72 V CB -0.408 31.462 31.823 0.078 0.000 0.666 72 V HN 0.332 nan 8.190 nan 0.000 0.456 73 V N -0.158 119.757 119.914 0.002 0.000 2.261 73 V HA -0.315 3.806 4.120 0.001 0.000 0.246 73 V C 2.397 178.503 176.094 0.021 0.000 1.047 73 V CA 2.635 64.942 62.300 0.011 0.000 1.015 73 V CB -0.673 31.170 31.823 0.033 0.000 0.642 73 V HN 0.659 nan 8.190 nan 0.000 0.446 74 Q N -0.175 119.666 119.800 0.069 0.000 2.167 74 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 74 Q C 2.090 178.135 176.000 0.076 0.000 0.970 74 Q CA 1.597 57.479 55.803 0.131 0.000 0.855 74 Q CB -0.055 28.845 28.738 0.269 0.000 0.911 74 Q HN 0.636 nan 8.270 nan 0.000 0.438 75 N N 0.547 119.278 118.700 0.051 0.000 2.120 75 N HA -0.181 4.559 4.740 0.001 0.000 0.188 75 N C 1.662 177.167 175.510 -0.007 0.000 1.024 75 N CA 1.013 54.075 53.050 0.020 0.000 0.852 75 N CB -0.330 38.167 38.487 0.016 0.000 1.003 75 N HN 0.298 nan 8.380 nan 0.000 0.424 76 L N 0.155 121.366 121.223 -0.019 0.000 2.017 76 L HA -0.098 4.243 4.340 0.001 0.000 0.208 76 L C 2.018 178.839 176.870 -0.082 0.000 1.073 76 L CA 1.156 55.966 54.840 -0.050 0.000 0.745 76 L CB -0.121 41.904 42.059 -0.056 0.000 0.894 76 L HN 0.061 nan 8.230 nan 0.000 0.432 77 M N -0.530 119.006 119.600 -0.106 0.000 2.175 77 M HA -0.188 4.292 4.480 0.001 0.000 0.264 77 M C 2.094 178.332 176.300 -0.103 0.000 1.063 77 M CA 1.673 56.861 55.300 -0.187 0.000 1.119 77 M CB -1.104 31.276 32.600 -0.367 0.000 1.377 77 M HN 0.357 nan 8.290 nan 0.000 0.415 78 E N -0.293 119.885 120.200 -0.036 0.000 2.046 78 E HA -0.159 4.192 4.350 0.001 0.000 0.190 78 E C 2.181 178.770 176.600 -0.019 0.000 0.982 78 E CA 0.728 57.123 56.400 -0.007 0.000 0.800 78 E CB -0.190 29.520 29.700 0.017 0.000 0.756 78 E HN 0.391 nan 8.360 nan 0.000 0.449 79 R N 0.995 121.480 120.500 -0.025 0.000 2.103 79 R HA -0.132 4.209 4.340 0.001 0.000 0.242 79 R C 1.416 177.699 176.300 -0.029 0.000 1.142 79 R CA 1.462 57.547 56.100 -0.026 0.000 0.960 79 R CB -0.026 30.256 30.300 -0.030 0.000 0.858 79 R HN 0.126 nan 8.270 nan 0.000 0.439 80 N N 0.761 119.433 118.700 -0.047 0.000 2.336 80 N HA -0.083 4.658 4.740 0.001 0.000 0.189 80 N C -0.265 175.223 175.510 -0.035 0.000 1.113 80 N CA 0.242 53.262 53.050 -0.050 0.000 0.858 80 N CB 0.166 38.598 38.487 -0.092 0.000 0.970 80 N HN 0.226 nan 8.380 nan 0.000 0.471 81 N N 0.891 119.573 118.700 -0.029 0.000 2.738 81 N HA -0.181 4.560 4.740 0.001 0.000 0.249 81 N C -1.291 174.212 175.510 -0.013 0.000 1.047 81 N CA 0.390 53.433 53.050 -0.011 0.000 0.707 81 N CB -1.542 36.949 38.487 0.006 0.000 0.937 81 N HN 0.280 nan 8.380 nan 0.000 0.545 82 L N 0.249 121.437 121.223 -0.058 0.000 2.295 82 L HA 0.391 4.732 4.340 0.001 0.000 0.285 82 L C 0.913 177.719 176.870 -0.107 0.000 1.035 82 L CA -0.796 54.002 54.840 -0.070 0.000 0.806 82 L CB 1.610 43.588 42.059 -0.135 0.000 1.214 82 L HN 0.229 nan 8.230 nan 0.000 0.426 83 S N 1.329 117.018 115.700 -0.019 0.000 2.564 83 S HA 0.102 4.573 4.470 0.001 0.000 0.278 83 S C 0.856 175.431 174.600 -0.042 0.000 1.333 83 S CA -0.088 58.128 58.200 0.025 0.000 1.048 83 S CB 0.356 63.602 63.200 0.078 0.000 0.900 83 S HN 0.428 nan 8.310 nan 0.000 0.505 84 Y N 1.993 122.284 120.300 -0.015 0.000 2.497 84 Y HA -0.051 4.499 4.550 0.001 0.000 0.292 84 Y C 1.978 177.987 175.900 0.182 0.000 1.137 84 Y CA 0.837 58.920 58.100 -0.027 0.000 1.285 84 Y CB 0.021 38.320 38.460 -0.269 0.000 0.991 84 Y HN 0.629 nan 8.280 nan 0.000 0.556 85 D N -1.505 119.035 120.400 0.232 0.000 2.348 85 D HA -0.086 4.554 4.640 0.001 0.000 0.216 85 D C 1.366 177.764 176.300 0.163 0.000 0.970 85 D CA 0.712 54.825 54.000 0.188 0.000 0.889 85 D CB -0.152 40.724 40.800 0.127 0.000 0.912 85 D HN 0.345 nan 8.370 nan 0.000 0.524 86 C N 0.789 120.192 119.300 0.171 0.000 2.697 86 C HA 0.175 4.635 4.460 0.001 0.000 0.267 86 C C 0.671 175.828 174.990 0.278 0.000 1.278 86 C CA -0.539 58.594 59.018 0.192 0.000 1.708 86 C CB -0.442 27.439 27.740 0.234 0.000 1.860 86 C HN 0.107 nan 8.230 nan 0.000 0.589 87 I N 1.205 121.938 120.570 0.272 0.000 2.321 87 I HA 0.313 4.484 4.170 0.001 0.000 0.291 87 I C 1.200 177.415 176.117 0.162 0.000 0.998 87 I CA 0.248 61.705 61.300 0.263 0.000 1.227 87 I CB 0.684 38.865 38.000 0.301 0.000 1.368 87 I HN 0.214 nan 8.210 nan 0.000 0.466 88 G N 6.198 115.098 108.800 0.167 0.000 2.944 88 G HA2 0.129 4.089 3.960 0.001 0.000 0.220 88 G HA3 0.129 4.089 3.960 0.001 0.000 0.220 88 G C 0.640 175.316 174.900 -0.374 0.000 1.100 88 G CA -0.123 45.041 45.100 0.106 0.000 0.780 88 G HN 0.488 nan 8.290 nan 0.000 0.539 89 R N -0.356 119.838 120.500 -0.509 0.000 2.548 89 R HA 0.597 4.937 4.340 0.001 0.000 0.280 89 R C -2.397 173.684 176.300 -0.365 0.000 1.061 89 R CA -0.692 54.982 56.100 -0.711 0.000 0.915 89 R CB 1.918 31.458 30.300 -1.266 0.000 1.210 89 R HN 0.086 nan 8.270 nan 0.000 0.442 90 L N 2.638 123.663 121.223 -0.329 0.000 2.470 90 L HA 0.566 4.907 4.340 0.001 0.000 0.268 90 L C -1.676 175.067 176.870 -0.212 0.000 0.964 90 L CA -0.070 54.631 54.840 -0.231 0.000 0.839 90 L CB 2.048 43.947 42.059 -0.267 0.000 1.276 90 L HN 0.831 nan 8.230 nan 0.000 0.403 91 E N 3.060 123.163 120.200 -0.163 0.000 2.366 91 E HA 0.707 5.058 4.350 0.001 0.000 0.278 91 E C -1.982 174.551 176.600 -0.113 0.000 0.923 91 E CA -0.746 55.569 56.400 -0.143 0.000 0.761 91 E CB 2.377 31.986 29.700 -0.152 0.000 1.231 91 E HN 0.438 nan 8.360 nan 0.000 0.443 92 V N 2.487 122.344 119.914 -0.095 0.000 2.417 92 V HA 0.666 4.786 4.120 0.001 0.000 0.291 92 V C 0.356 176.411 176.094 -0.065 0.000 1.024 92 V CA -0.341 61.916 62.300 -0.072 0.000 0.861 92 V CB 1.573 33.362 31.823 -0.056 0.000 0.985 92 V HN 0.731 nan 8.190 nan 0.000 0.436 93 G N 2.043 110.805 108.800 -0.063 0.000 2.322 93 G HA2 0.613 4.574 3.960 0.001 0.000 0.309 93 G HA3 0.613 4.574 3.960 0.001 0.000 0.309 93 G C -0.462 174.437 174.900 -0.001 0.000 1.121 93 G CA -0.213 44.857 45.100 -0.050 0.000 0.886 93 G HN 0.747 nan 8.290 nan 0.000 0.447 94 T N -0.020 114.545 114.554 0.019 0.000 2.749 94 T HA 0.439 4.789 4.350 0.001 0.000 0.310 94 T C -0.227 174.515 174.700 0.071 0.000 1.496 94 T CA -0.326 61.813 62.100 0.064 0.000 1.006 94 T CB 1.585 70.492 68.868 0.065 0.000 1.457 94 T HN 0.680 nan 8.240 nan 0.000 0.497 95 E N 0.115 120.385 120.200 0.116 0.000 2.714 95 E HA 0.275 4.625 4.350 0.001 0.000 0.219 95 E C -0.569 176.131 176.600 0.166 0.000 0.979 95 E CA -0.458 56.013 56.400 0.119 0.000 1.092 95 E CB 0.512 30.260 29.700 0.080 0.000 1.049 95 E HN 0.346 nan 8.360 nan 0.000 0.487 96 T N 2.644 117.298 114.554 0.166 0.000 2.891 96 T HA 0.301 4.651 4.350 0.001 0.000 0.315 96 T C -0.380 174.392 174.700 0.120 0.000 1.054 96 T CA -0.427 61.771 62.100 0.164 0.000 0.958 96 T CB 0.176 69.145 68.868 0.168 0.000 1.008 96 T HN 0.150 nan 8.240 nan 0.000 0.521 97 I N 5.399 126.038 120.570 0.114 0.000 2.328 97 I HA 0.318 4.489 4.170 0.001 0.000 0.287 97 I C 1.090 177.257 176.117 0.082 0.000 1.012 97 I CA -0.992 60.360 61.300 0.086 0.000 1.195 97 I CB 0.834 38.882 38.000 0.081 0.000 1.350 97 I HN 0.649 nan 8.210 nan 0.000 0.464 98 I N 0.543 121.154 120.570 0.068 0.000 4.082 98 I HA 0.445 4.616 4.170 0.001 0.000 0.337 98 I C -0.011 176.127 176.117 0.036 0.000 1.352 98 I CA 0.127 61.459 61.300 0.052 0.000 1.097 98 I CB 0.606 38.649 38.000 0.071 0.000 1.048 98 I HN 0.313 nan 8.210 nan 0.000 0.393 99 D N 1.627 122.046 120.400 0.030 0.000 2.966 99 D HA 0.207 4.848 4.640 0.001 0.000 0.222 99 D C -0.026 176.281 176.300 0.011 0.000 1.292 99 D CA -0.334 53.672 54.000 0.011 0.000 0.907 99 D CB 2.182 42.988 40.800 0.011 0.000 1.621 99 D HN 0.023 nan 8.370 nan 0.000 0.557 100 K N 0.506 120.908 120.400 0.003 0.000 2.366 100 K HA -0.013 4.307 4.320 0.001 0.000 0.198 100 K C 1.633 178.233 176.600 0.000 0.000 1.044 100 K CA 0.805 57.097 56.287 0.007 0.000 0.973 100 K CB 0.366 32.870 32.500 0.007 0.000 0.767 100 K HN 0.342 nan 8.250 nan 0.000 0.475 101 S N -0.080 115.615 115.700 -0.007 0.000 2.665 101 S HA 0.059 4.529 4.470 0.001 0.000 0.240 101 S C 0.618 175.210 174.600 -0.013 0.000 1.081 101 S CA -0.404 57.790 58.200 -0.011 0.000 0.887 101 S CB 0.129 63.320 63.200 -0.015 0.000 0.805 101 S HN 0.019 nan 8.310 nan 0.000 0.486 102 K N 3.598 123.991 120.400 -0.012 0.000 2.285 102 K HA 0.358 4.678 4.320 0.001 0.000 0.286 102 K C -0.099 176.492 176.600 -0.015 0.000 1.072 102 K CA -0.212 56.066 56.287 -0.014 0.000 0.913 102 K CB 0.740 33.235 32.500 -0.009 0.000 1.067 102 K HN 0.475 nan 8.250 nan 0.000 0.479 103 S N 2.238 117.922 115.700 -0.027 0.000 2.585 103 S HA 0.025 4.496 4.470 0.001 0.000 0.273 103 S C 1.398 175.973 174.600 -0.042 0.000 1.339 103 S CA -0.921 57.259 58.200 -0.034 0.000 1.028 103 S CB 1.490 64.662 63.200 -0.047 0.000 0.906 103 S HN 0.402 nan 8.310 nan 0.000 0.528 104 V N 2.332 122.220 119.914 -0.043 0.000 2.392 104 V HA -0.158 3.962 4.120 0.001 0.000 0.249 104 V C 2.854 178.896 176.094 -0.087 0.000 1.059 104 V CA 2.039 64.301 62.300 -0.063 0.000 1.051 104 V CB -0.954 30.838 31.823 -0.052 0.000 0.658 104 V HN 0.958 nan 8.190 nan 0.000 0.455 105 K N 0.885 121.235 120.400 -0.085 0.000 2.044 105 K HA -0.259 4.061 4.320 0.001 0.000 0.210 105 K C 2.345 178.879 176.600 -0.110 0.000 1.049 105 K CA 2.554 58.777 56.287 -0.106 0.000 0.927 105 K CB -0.741 31.690 32.500 -0.115 0.000 0.713 105 K HN 0.721 nan 8.250 nan 0.000 0.443 106 T N -0.680 113.820 114.554 -0.090 0.000 2.788 106 T HA -0.100 4.251 4.350 0.001 0.000 0.268 106 T C 1.733 176.384 174.700 -0.082 0.000 1.044 106 T CA 1.409 63.460 62.100 -0.081 0.000 1.139 106 T CB -0.379 68.454 68.868 -0.059 0.000 0.867 106 T HN 0.243 nan 8.240 nan 0.000 0.454 107 N N 1.563 120.208 118.700 -0.091 0.000 2.104 107 N HA -0.018 4.722 4.740 0.001 0.000 0.190 107 N C 1.934 177.340 175.510 -0.173 0.000 1.024 107 N CA 1.431 54.404 53.050 -0.127 0.000 0.853 107 N CB -0.359 38.030 38.487 -0.163 0.000 1.008 107 N HN 0.428 nan 8.380 nan 0.000 0.424 108 L N 0.698 121.832 121.223 -0.149 0.000 2.265 108 L HA -0.077 4.264 4.340 0.001 0.000 0.215 108 L C 2.173 179.057 176.870 0.024 0.000 1.117 108 L CA 0.472 55.249 54.840 -0.105 0.000 0.782 108 L CB -0.291 41.736 42.059 -0.053 0.000 0.914 108 L HN 0.157 nan 8.230 nan 0.000 0.441 109 M N -0.685 118.904 119.600 -0.018 0.000 2.358 109 M HA -0.192 4.288 4.480 0.001 0.000 0.264 109 M C 2.104 178.440 176.300 0.060 0.000 1.064 109 M CA 1.353 56.678 55.300 0.041 0.000 1.093 109 M CB -1.007 31.564 32.600 -0.048 0.000 1.401 109 M HN 0.341 nan 8.290 nan 0.000 0.440 110 Q N 0.223 119.997 119.800 -0.045 0.000 2.156 110 Q HA -0.204 4.136 4.340 0.001 0.000 0.211 110 Q C 1.994 177.921 176.000 -0.122 0.000 0.995 110 Q CA 1.362 57.105 55.803 -0.099 0.000 0.877 110 Q CB -0.402 28.208 28.738 -0.214 0.000 0.920 110 Q HN 0.516 nan 8.270 nan 0.000 0.416 111 L N -1.367 119.775 121.223 -0.136 0.000 2.313 111 L HA -0.055 4.285 4.340 0.001 0.000 0.214 111 L C 1.442 177.994 176.870 -0.531 0.000 1.119 111 L CA 0.552 55.206 54.840 -0.310 0.000 0.809 111 L CB -0.054 41.840 42.059 -0.274 0.000 0.933 111 L HN 0.171 nan 8.230 nan 0.000 0.449 112 F N -0.528 119.305 119.950 -0.195 0.000 2.731 112 F HA 0.064 4.592 4.527 0.001 0.000 0.298 112 F C 2.172 177.911 175.800 -0.102 0.000 1.106 112 F CA -0.066 57.865 58.000 -0.116 0.000 1.329 112 F CB 0.047 39.056 39.000 0.016 0.000 1.100 112 F HN -0.033 nan 8.300 nan 0.000 0.592 113 E N 0.663 120.889 120.200 0.042 0.000 2.086 113 E HA -0.283 4.068 4.350 0.001 0.000 0.200 113 E C 2.167 178.758 176.600 -0.016 0.000 1.012 113 E CA 1.538 57.944 56.400 0.010 0.000 0.812 113 E CB -0.201 29.490 29.700 -0.014 0.000 0.743 113 E HN 0.296 nan 8.360 nan 0.000 0.453 114 E N 0.626 120.782 120.200 -0.073 0.000 2.085 114 E HA -0.202 4.149 4.350 0.001 0.000 0.194 114 E C 2.139 178.720 176.600 -0.032 0.000 0.994 114 E CA 1.750 58.109 56.400 -0.068 0.000 0.801 114 E CB -0.066 29.562 29.700 -0.118 0.000 0.743 114 E HN 0.262 nan 8.360 nan 0.000 0.453 115 S N -1.149 114.536 115.700 -0.024 0.000 2.428 115 S HA 0.030 4.501 4.470 0.001 0.000 0.230 115 S C 1.733 176.372 174.600 0.066 0.000 1.014 115 S CA 1.250 59.477 58.200 0.046 0.000 0.957 115 S CB -0.195 63.078 63.200 0.123 0.000 0.784 115 S HN 0.466 nan 8.310 nan 0.000 0.499 116 G N 1.534 110.373 108.800 0.064 0.000 2.162 116 G HA2 -0.306 3.655 3.960 0.001 0.000 0.260 116 G HA3 -0.306 3.655 3.960 0.001 0.000 0.260 116 G C -0.022 174.927 174.900 0.081 0.000 0.976 116 G CA 0.189 45.326 45.100 0.060 0.000 0.655 116 G HN 0.734 nan 8.290 nan 0.000 0.533 117 N N 1.008 119.790 118.700 0.138 0.000 2.448 117 N HA 0.415 5.156 4.740 0.001 0.000 0.250 117 N C 1.422 176.988 175.510 0.094 0.000 1.136 117 N CA 0.777 53.912 53.050 0.140 0.000 0.953 117 N CB 0.557 39.183 38.487 0.232 0.000 1.251 117 N HN 0.414 nan 8.380 nan 0.000 0.502 118 T N -1.120 113.451 114.554 0.027 0.000 3.040 118 T HA 0.090 4.441 4.350 0.001 0.000 0.266 118 T C 0.381 175.046 174.700 -0.058 0.000 1.005 118 T CA -0.363 61.720 62.100 -0.029 0.000 0.906 118 T CB -0.078 68.781 68.868 -0.015 0.000 1.082 118 T HN 0.246 nan 8.240 nan 0.000 0.531 119 D N 1.914 122.294 120.400 -0.033 0.000 2.608 119 D HA 0.265 4.906 4.640 0.001 0.000 0.224 119 D C -0.583 175.681 176.300 -0.061 0.000 1.123 119 D CA -0.476 53.505 54.000 -0.032 0.000 1.030 119 D CB -0.772 40.029 40.800 0.003 0.000 1.093 119 D HN 0.538 nan 8.370 nan 0.000 0.497 120 I N 1.896 122.389 120.570 -0.129 0.000 2.476 120 I HA 0.194 4.365 4.170 0.001 0.000 0.281 120 I C 0.433 176.407 176.117 -0.238 0.000 1.040 120 I CA -0.957 60.217 61.300 -0.210 0.000 1.094 120 I CB 1.623 39.427 38.000 -0.326 0.000 1.219 120 I HN 0.110 nan 8.210 nan 0.000 0.450 121 E N 4.351 124.387 120.200 -0.273 0.000 2.422 121 E HA 0.430 4.781 4.350 0.001 0.000 0.260 121 E C 0.327 176.739 176.600 -0.314 0.000 1.108 121 E CA 0.734 56.965 56.400 -0.280 0.000 0.943 121 E CB 0.785 30.276 29.700 -0.350 0.000 0.961 121 E HN 0.862 nan 8.360 nan 0.000 0.443 122 G N 1.273 109.933 108.800 -0.233 0.000 2.617 122 G HA2 -0.032 3.929 3.960 0.001 0.000 0.686 122 G HA3 -0.032 3.929 3.960 0.001 0.000 0.686 122 G C -0.325 174.480 174.900 -0.159 0.000 1.214 122 G CA -0.331 44.646 45.100 -0.205 0.000 0.796 122 G HN 0.690 nan 8.290 nan 0.000 0.654 123 I N -2.714 117.781 120.570 -0.125 0.000 3.228 123 I HA 0.835 5.006 4.170 0.001 0.000 0.157 123 I C -0.751 175.313 176.117 -0.089 0.000 0.440 123 I CA -0.850 60.390 61.300 -0.101 0.000 2.985 123 I CB 0.744 38.697 38.000 -0.078 0.000 1.400 123 I HN 0.380 nan 8.210 nan 0.000 0.501 124 D N 0.453 120.814 120.400 -0.066 0.000 2.350 124 D HA 0.656 5.296 4.640 0.001 0.000 0.238 124 D C -1.081 175.192 176.300 -0.044 0.000 0.989 124 D CA -0.043 53.925 54.000 -0.053 0.000 0.921 124 D CB 2.283 43.062 40.800 -0.035 0.000 1.297 124 D HN 0.501 nan 8.370 nan 0.000 0.490 125 T N -0.065 114.465 114.554 -0.041 0.000 2.971 125 T HA 0.570 4.921 4.350 0.001 0.000 0.304 125 T C -1.486 173.204 174.700 -0.016 0.000 1.038 125 T CA -0.383 61.699 62.100 -0.030 0.000 1.007 125 T CB 0.857 69.698 68.868 -0.044 0.000 1.055 125 T HN 0.192 nan 8.240 nan 0.000 0.451 126 T N 4.823 119.379 114.554 0.003 0.000 2.881 126 T HA 0.567 4.918 4.350 0.001 0.000 0.291 126 T C -0.911 173.805 174.700 0.026 0.000 0.990 126 T CA -0.738 61.372 62.100 0.017 0.000 0.976 126 T CB 0.874 69.758 68.868 0.026 0.000 0.970 126 T HN 0.630 nan 8.240 nan 0.000 0.438 127 N N 1.988 120.706 118.700 0.031 0.000 2.664 127 N HA 0.522 5.262 4.740 0.001 0.000 0.268 127 N C -0.145 175.348 175.510 -0.029 0.000 1.222 127 N CA 0.268 53.324 53.050 0.009 0.000 0.805 127 N CB 0.670 39.153 38.487 -0.007 0.000 1.399 127 N HN 1.050 nan 8.380 nan 0.000 0.547 131 G N 0.729 109.477 108.800 -0.087 0.000 2.450 131 G HA2 -0.205 3.755 3.960 0.001 0.000 0.220 131 G HA3 -0.205 3.755 3.960 0.001 0.000 0.220 131 G C 1.757 176.542 174.900 -0.192 0.000 1.130 131 G CA 1.160 46.191 45.100 -0.115 0.000 0.760 131 G HN 0.614 nan 8.290 nan 0.000 0.557 132 G N 0.278 108.991 108.800 -0.145 0.000 2.446 132 G HA2 -0.186 3.775 3.960 0.001 0.000 0.217 132 G HA3 -0.186 3.775 3.960 0.001 0.000 0.217 132 G C 1.840 176.562 174.900 -0.298 0.000 1.168 132 G CA 1.735 46.748 45.100 -0.146 0.000 0.771 132 G HN 0.371 nan 8.290 nan 0.000 0.551 133 T N 1.682 116.016 114.554 -0.366 0.000 2.746 133 T HA 0.003 4.354 4.350 0.001 0.000 0.267 133 T C 2.815 176.898 174.700 -1.028 0.000 1.039 133 T CA 1.554 63.227 62.100 -0.711 0.000 1.142 133 T CB -0.425 67.962 68.868 -0.802 0.000 0.866 133 T HN 0.391 nan 8.240 nan 0.000 0.444 134 A N 1.585 123.882 122.820 -0.871 0.000 1.892 134 A HA 0.002 4.323 4.320 0.001 0.000 0.218 134 A C 2.645 180.058 177.584 -0.284 0.000 1.188 134 A CA 2.107 53.879 52.037 -0.441 0.000 0.631 134 A CB -1.182 17.705 19.000 -0.187 0.000 0.822 134 A HN 0.530 nan 8.150 nan 0.000 0.447 135 A N -0.894 121.759 122.820 -0.280 0.000 1.930 135 A HA 0.062 4.383 4.320 0.001 0.000 0.217 135 A C 2.236 179.687 177.584 -0.221 0.000 1.175 135 A CA 1.632 53.547 52.037 -0.204 0.000 0.627 135 A CB -0.855 18.034 19.000 -0.185 0.000 0.815 135 A HN 0.381 nan 8.150 nan 0.000 0.443 136 V N -0.723 118.992 119.914 -0.332 0.000 2.295 136 V HA -0.242 3.878 4.120 0.001 0.000 0.246 136 V C 2.363 178.309 176.094 -0.247 0.000 1.049 136 V CA 2.082 64.194 62.300 -0.314 0.000 1.024 136 V CB -0.944 30.650 31.823 -0.381 0.000 0.648 136 V HN 0.552 nan 8.190 nan 0.000 0.447 137 F N 0.965 120.704 119.950 -0.353 0.000 2.134 137 F HA -0.111 4.416 4.527 0.001 0.000 0.299 137 F C 2.388 178.040 175.800 -0.246 0.000 1.097 137 F CA 1.091 58.877 58.000 -0.358 0.000 1.264 137 F CB -1.489 37.341 39.000 -0.284 0.000 1.001 137 F HN 0.243 nan 8.300 nan 0.000 0.479 138 N N 0.457 119.165 118.700 0.013 0.000 2.137 138 N HA -0.176 4.564 4.740 0.001 0.000 0.190 138 N C 2.034 177.554 175.510 0.017 0.000 1.017 138 N CA 1.502 54.550 53.050 -0.003 0.000 0.859 138 N CB -0.716 37.749 38.487 -0.035 0.000 1.002 138 N HN 0.275 nan 8.380 nan 0.000 0.428 139 A N 0.668 123.473 122.820 -0.024 0.000 1.873 139 A HA -0.057 4.264 4.320 0.001 0.000 0.215 139 A C 2.545 180.164 177.584 0.058 0.000 1.186 139 A CA 1.311 53.373 52.037 0.043 0.000 0.616 139 A CB -0.806 18.185 19.000 -0.016 0.000 0.823 139 A HN 0.095 nan 8.150 nan 0.000 0.442 140 V N 1.197 121.037 119.914 -0.122 0.000 2.295 140 V HA -0.287 3.834 4.120 0.001 0.000 0.246 140 V C 2.320 178.312 176.094 -0.170 0.000 1.049 140 V CA 2.214 64.378 62.300 -0.228 0.000 1.024 140 V CB -1.094 30.422 31.823 -0.511 0.000 0.648 140 V HN 0.554 nan 8.190 nan 0.000 0.447 141 N N -0.869 117.756 118.700 -0.125 0.000 2.104 141 N HA -0.241 4.500 4.740 0.001 0.000 0.190 141 N C 1.413 176.918 175.510 -0.009 0.000 1.024 141 N CA 1.879 54.869 53.050 -0.100 0.000 0.853 141 N CB -0.580 37.871 38.487 -0.060 0.000 1.008 141 N HN 0.731 nan 8.380 nan 0.000 0.424 142 W N 2.192 123.436 121.300 -0.093 0.000 2.355 142 W HA -0.031 4.630 4.660 0.001 0.000 0.309 142 W C 1.809 178.306 176.519 -0.037 0.000 1.206 142 W CA 0.971 58.299 57.345 -0.028 0.000 1.284 142 W CB -0.280 29.179 29.460 -0.001 0.000 1.145 142 W HN -0.096 nan 8.180 nan 0.000 0.502 143 I N 0.835 121.232 120.570 -0.288 0.000 2.264 143 I HA -0.257 3.914 4.170 0.001 0.000 0.248 143 I C 1.755 177.466 176.117 -0.677 0.000 1.111 143 I CA 1.814 62.584 61.300 -0.884 0.000 1.382 143 I CB -1.507 36.053 38.000 -0.733 0.000 1.060 143 I HN 0.196 nan 8.210 nan 0.000 0.418 144 E N 0.618 120.626 120.200 -0.321 0.000 2.489 144 E HA -0.011 4.339 4.350 0.001 0.000 0.193 144 E C 0.997 177.647 176.600 0.082 0.000 1.057 144 E CA -0.027 56.321 56.400 -0.086 0.000 0.866 144 E CB 0.231 29.805 29.700 -0.209 0.000 0.916 144 E HN 0.471 nan 8.360 nan 0.000 0.500 145 S N -0.079 115.599 115.700 -0.037 0.000 2.707 145 S HA 0.113 4.584 4.470 0.001 0.000 0.276 145 S C 1.370 175.986 174.600 0.028 0.000 1.179 145 S CA -0.211 58.003 58.200 0.023 0.000 0.992 145 S CB 1.618 64.822 63.200 0.007 0.000 1.030 145 S HN 0.078 nan 8.310 nan 0.000 0.554 146 S N 0.396 116.121 115.700 0.040 0.000 2.469 146 S HA -0.076 4.394 4.470 0.001 0.000 0.238 146 S C 1.375 175.983 174.600 0.013 0.000 0.998 146 S CA 1.057 59.274 58.200 0.028 0.000 0.957 146 S CB -0.871 62.346 63.200 0.028 0.000 0.764 146 S HN 0.614 nan 8.310 nan 0.000 0.514 147 S N -0.069 115.635 115.700 0.006 0.000 2.548 147 S HA 0.200 4.670 4.470 0.001 0.000 0.215 147 S C 0.033 174.584 174.600 -0.081 0.000 0.976 147 S CA -0.608 57.616 58.200 0.040 0.000 0.908 147 S CB -0.246 63.069 63.200 0.192 0.000 0.781 147 S HN 0.753 nan 8.310 nan 0.000 0.519 148 W N 4.732 125.701 121.300 -0.552 0.000 2.223 148 W HA 0.150 4.811 4.660 0.001 0.000 0.334 148 W C -0.134 176.164 176.519 -0.369 0.000 1.334 148 W CA -0.599 56.245 57.345 -0.836 0.000 1.246 148 W CB 0.409 29.419 29.460 -0.751 0.000 1.184 148 W HN 0.181 nan 8.180 nan 0.000 0.563 149 D N 2.565 122.527 120.400 -0.730 0.000 2.535 149 D HA 0.245 4.886 4.640 0.001 0.000 0.229 149 D C 1.376 177.168 176.300 -0.848 0.000 1.238 149 D CA 0.147 53.807 54.000 -0.567 0.000 0.824 149 D CB 0.073 40.770 40.800 -0.171 0.000 1.045 149 D HN 0.694 nan 8.370 nan 0.000 0.500 150 G N 0.398 108.094 108.800 -1.839 0.000 2.217 150 G HA2 -0.303 3.657 3.960 0.001 0.000 0.246 150 G HA3 -0.303 3.657 3.960 0.001 0.000 0.246 150 G C 0.410 174.999 174.900 -0.518 0.000 0.990 150 G CA -0.176 44.072 45.100 -1.420 0.000 0.627 150 G HN 0.449 nan 8.290 nan 0.000 0.522 151 R N -0.575 119.807 120.500 -0.197 0.000 2.543 151 R HA 0.561 4.902 4.340 0.001 0.000 0.268 151 R C 0.044 176.620 176.300 0.461 0.000 1.067 151 R CA -0.721 55.458 56.100 0.131 0.000 1.142 151 R CB 0.417 30.847 30.300 0.216 0.000 1.110 151 R HN 0.191 nan 8.270 nan 0.000 0.549 152 Y N 0.269 120.810 120.300 0.402 0.000 2.457 152 Y HA 0.149 4.700 4.550 0.001 0.000 0.341 152 Y C 0.800 176.945 175.900 0.408 0.000 1.240 152 Y CA -0.050 58.276 58.100 0.377 0.000 1.437 152 Y CB 0.490 39.075 38.460 0.209 0.000 1.328 152 Y HN 0.570 nan 8.280 nan 0.000 0.588 153 A N 2.964 126.119 122.820 0.557 0.000 2.310 153 A HA 0.627 4.947 4.320 0.001 0.000 0.299 153 A C -1.412 176.256 177.584 0.140 0.000 1.147 153 A CA -0.556 51.635 52.037 0.257 0.000 0.818 153 A CB 0.584 19.744 19.000 0.267 0.000 1.096 153 A HN 0.612 nan 8.150 nan 0.000 0.495 154 L N 3.179 124.416 121.223 0.024 0.000 2.376 154 L HA 0.628 4.968 4.340 0.001 0.000 0.275 154 L C -0.981 175.856 176.870 -0.056 0.000 0.987 154 L CA -0.261 54.576 54.840 -0.006 0.000 0.828 154 L CB 1.821 43.891 42.059 0.017 0.000 1.249 154 L HN 0.415 nan 8.230 nan 0.000 0.409 155 V N 5.561 125.433 119.914 -0.069 0.000 2.513 155 V HA 0.643 4.764 4.120 0.001 0.000 0.299 155 V C -0.577 175.457 176.094 -0.099 0.000 1.035 155 V CA -0.671 61.565 62.300 -0.108 0.000 0.889 155 V CB 2.040 33.770 31.823 -0.154 0.000 0.988 155 V HN 0.492 nan 8.190 nan 0.000 0.440 156 V N 3.719 123.580 119.914 -0.088 0.000 2.444 156 V HA 0.787 4.908 4.120 0.001 0.000 0.294 156 V C 0.153 176.216 176.094 -0.052 0.000 1.022 156 V CA -0.579 61.687 62.300 -0.056 0.000 0.850 156 V CB 1.687 33.490 31.823 -0.034 0.000 0.992 156 V HN 0.973 nan 8.190 nan 0.000 0.426 157 A N 3.569 126.373 122.820 -0.026 0.000 2.287 157 A HA 0.955 5.276 4.320 0.001 0.000 0.317 157 A C 0.179 177.814 177.584 0.085 0.000 1.220 157 A CA -0.037 52.014 52.037 0.023 0.000 0.835 157 A CB 1.250 20.278 19.000 0.046 0.000 1.180 157 A HN 1.216 nan 8.150 nan 0.000 0.500 158 G N 1.098 109.956 108.800 0.097 0.000 2.733 158 G HA2 0.650 4.610 3.960 0.001 0.000 0.297 158 G HA3 0.650 4.610 3.960 0.001 0.000 0.297 158 G C -1.946 173.044 174.900 0.149 0.000 1.422 158 G CA -0.402 44.776 45.100 0.129 0.000 0.942 158 G HN 0.577 nan 8.290 nan 0.000 0.510 159 D N -0.161 120.340 120.400 0.168 0.000 2.648 159 D HA 0.278 4.919 4.640 0.001 0.000 0.244 159 D C -1.064 175.314 176.300 0.131 0.000 1.244 159 D CA -0.331 53.778 54.000 0.181 0.000 0.772 159 D CB 2.474 43.440 40.800 0.277 0.000 1.379 159 D HN 0.311 nan 8.370 nan 0.000 0.428 160 I N 1.387 122.027 120.570 0.118 0.000 2.359 160 I HA 0.437 4.608 4.170 0.001 0.000 0.284 160 I C -0.037 176.053 176.117 -0.045 0.000 1.018 160 I CA -0.518 60.822 61.300 0.067 0.000 1.173 160 I CB 1.534 39.606 38.000 0.120 0.000 1.326 160 I HN 0.297 nan 8.210 nan 0.000 0.462 161 A N 7.541 130.200 122.820 -0.269 0.000 2.260 161 A HA 0.699 5.020 4.320 0.001 0.000 0.312 161 A C -0.342 177.127 177.584 -0.192 0.000 1.321 161 A CA -0.410 51.256 52.037 -0.619 0.000 0.928 161 A CB 0.362 18.592 19.000 -1.283 0.000 1.158 161 A HN 0.544 nan 8.150 nan 0.000 0.542 162 V N 0.482 120.331 119.914 -0.108 0.000 2.709 162 V HA 0.787 4.907 4.120 0.001 0.000 0.308 162 V C -1.191 174.869 176.094 -0.057 0.000 1.062 162 V CA -0.973 61.354 62.300 0.044 0.000 0.901 162 V CB 0.883 32.813 31.823 0.180 0.000 1.003 162 V HN 0.665 nan 8.190 nan 0.000 0.425 163 Y N 1.819 122.172 120.300 0.088 0.000 2.549 163 Y HA 0.835 5.386 4.550 0.001 0.000 0.339 163 Y C 0.869 176.317 175.900 -0.753 0.000 1.053 163 Y CA -0.202 57.809 58.100 -0.149 0.000 1.105 163 Y CB 2.019 40.448 38.460 -0.052 0.000 1.258 163 Y HN 1.076 nan 8.280 nan 0.000 0.478 164 A N 0.506 122.759 122.820 -0.945 0.000 2.429 164 A HA 0.311 4.632 4.320 0.001 0.000 0.242 164 A C 0.332 177.690 177.584 -0.377 0.000 1.088 164 A CA -0.077 51.339 52.037 -1.035 0.000 0.784 164 A CB -0.511 18.158 19.000 -0.551 0.000 1.038 164 A HN 0.790 nan 8.150 nan 0.000 0.501 165 T N -0.681 113.725 114.554 -0.247 0.000 2.933 165 T HA 0.497 4.848 4.350 0.001 0.000 0.306 165 T C 0.645 175.302 174.700 -0.072 0.000 1.045 165 T CA 0.435 62.478 62.100 -0.095 0.000 1.143 165 T CB 0.262 69.107 68.868 -0.038 0.000 1.003 165 T HN 2.528 nan 8.240 nan 0.000 0.540 166 G N 2.621 111.397 108.800 -0.039 0.000 2.315 166 G HA2 -0.064 3.897 3.960 0.001 0.000 0.296 166 G HA3 -0.064 3.897 3.960 0.001 0.000 0.296 166 G C 0.149 175.012 174.900 -0.062 0.000 1.289 166 G CA -0.344 44.731 45.100 -0.041 0.000 0.996 166 G HN 0.553 nan 8.290 nan 0.000 0.487 167 N N 0.178 118.834 118.700 -0.074 0.000 2.520 167 N HA 0.094 4.835 4.740 0.001 0.000 0.185 167 N C 2.199 177.577 175.510 -0.220 0.000 1.068 167 N CA 1.569 54.558 53.050 -0.102 0.000 0.911 167 N CB -0.102 38.339 38.487 -0.076 0.000 0.961 167 N HN 0.865 nan 8.380 nan 0.000 0.446 168 A N 0.325 122.980 122.820 -0.275 0.000 2.081 168 A HA 0.025 4.346 4.320 0.001 0.000 0.214 168 A C 2.180 179.480 177.584 -0.475 0.000 1.158 168 A CA 0.395 52.109 52.037 -0.539 0.000 0.724 168 A CB -0.190 18.343 19.000 -0.778 0.000 0.826 168 A HN 0.179 nan 8.150 nan 0.000 0.463 169 R N 0.392 120.782 120.500 -0.184 0.000 2.091 169 R HA -0.105 4.235 4.340 0.001 0.000 0.238 169 R C -1.165 175.104 176.300 -0.052 0.000 1.136 169 R CA 1.925 58.028 56.100 0.005 0.000 0.959 169 R CB -1.101 29.216 30.300 0.030 0.000 0.856 169 R HN 0.347 nan 8.270 nan 0.000 0.437 170 P HA -0.054 nan 4.420 nan 0.000 0.236 170 P C 0.133 177.293 177.300 -0.232 0.000 1.172 170 P CA 1.330 64.190 63.100 -0.399 0.000 0.759 170 P CB 0.088 31.201 31.700 -0.978 0.000 0.843 171 T N -4.753 109.707 114.554 -0.157 0.000 3.214 171 T HA 0.411 4.762 4.350 0.001 0.000 0.264 171 T C 0.928 175.750 174.700 0.204 0.000 1.012 171 T CA -0.369 61.714 62.100 -0.029 0.000 0.901 171 T CB -0.332 68.467 68.868 -0.115 0.000 1.070 171 T HN -0.043 nan 8.240 nan 0.000 0.561 172 G N 0.007 108.953 108.800 0.244 0.000 2.509 172 G HA2 0.705 4.666 3.960 0.001 0.000 0.269 172 G HA3 0.705 4.666 3.960 0.001 0.000 0.269 172 G C 0.232 175.187 174.900 0.092 0.000 1.416 172 G CA -0.284 44.955 45.100 0.231 0.000 1.052 172 G HN 1.012 nan 8.290 nan 0.000 0.542 173 G N -3.132 105.699 108.800 0.052 0.000 2.356 173 G HA2 0.524 4.485 3.960 0.001 0.000 0.288 173 G HA3 0.524 4.485 3.960 0.001 0.000 0.288 173 G C -1.618 173.302 174.900 0.034 0.000 1.302 173 G CA 0.438 45.571 45.100 0.054 0.000 0.887 173 G HN 1.920 nan 8.290 nan 0.000 0.521 174 V N -0.580 119.376 119.914 0.069 0.000 2.971 174 V HA 0.906 5.026 4.120 0.001 0.000 0.281 174 V C -0.094 176.085 176.094 0.140 0.000 1.470 174 V CA 1.243 63.605 62.300 0.102 0.000 0.966 174 V CB 1.505 33.416 31.823 0.147 0.000 1.156 174 V HN 2.905 nan 8.190 nan 0.000 0.441 175 G N 3.429 112.331 108.800 0.169 0.000 2.322 175 G HA2 0.876 4.836 3.960 0.001 0.000 0.295 175 G HA3 0.876 4.836 3.960 0.001 0.000 0.295 175 G C -1.092 173.943 174.900 0.224 0.000 1.369 175 G CA 0.029 45.256 45.100 0.212 0.000 0.821 175 G HN 2.106 nan 8.290 nan 0.000 0.536 176 A N -1.098 121.870 122.820 0.248 0.000 2.549 176 A HA 0.880 5.201 4.320 0.001 0.000 0.297 176 A C -1.296 176.399 177.584 0.185 0.000 1.061 176 A CA -0.577 51.586 52.037 0.209 0.000 0.690 176 A CB 2.088 21.212 19.000 0.207 0.000 1.287 176 A HN 1.741 nan 8.150 nan 0.000 0.402 177 V N 0.854 120.851 119.914 0.139 0.000 2.638 177 V HA 0.757 4.877 4.120 0.001 0.000 0.306 177 V C 0.261 176.377 176.094 0.037 0.000 1.052 177 V CA -0.257 62.107 62.300 0.106 0.000 0.885 177 V CB 1.685 33.596 31.823 0.146 0.000 0.999 177 V HN 1.472 nan 8.190 nan 0.000 0.424 178 A N 5.692 128.523 122.820 0.019 0.000 2.317 178 A HA 0.918 5.239 4.320 0.001 0.000 0.327 178 A C -0.934 176.626 177.584 -0.039 0.000 1.178 178 A CA -0.494 51.531 52.037 -0.021 0.000 0.817 178 A CB 0.756 19.749 19.000 -0.013 0.000 1.189 178 A HN 0.800 nan 8.150 nan 0.000 0.489 179 L N 2.815 123.997 121.223 -0.069 0.000 2.325 179 L HA 0.417 4.758 4.340 0.001 0.000 0.281 179 L C -0.849 175.997 176.870 -0.040 0.000 1.004 179 L CA -0.747 54.057 54.840 -0.059 0.000 0.823 179 L CB 1.645 43.644 42.059 -0.099 0.000 1.236 179 L HN 0.647 nan 8.230 nan 0.000 0.415 180 L N 5.059 126.254 121.223 -0.046 0.000 2.276 180 L HA 0.542 4.882 4.340 0.001 0.000 0.286 180 L C -0.561 176.326 176.870 0.029 0.000 1.061 180 L CA 0.293 55.093 54.840 -0.067 0.000 0.807 180 L CB 0.889 42.814 42.059 -0.223 0.000 1.177 180 L HN 0.393 nan 8.230 nan 0.000 0.429 181 I N 4.745 125.392 120.570 0.130 0.000 2.465 181 I HA 0.819 4.989 4.170 0.001 0.000 0.291 181 I C 0.349 176.650 176.117 0.307 0.000 1.014 181 I CA -0.283 61.143 61.300 0.209 0.000 1.093 181 I CB 1.883 39.994 38.000 0.185 0.000 1.267 181 I HN 0.729 nan 8.210 nan 0.000 0.431 182 G N 5.764 114.723 108.800 0.266 0.000 2.488 182 G HA2 0.509 4.470 3.960 0.001 0.000 0.301 182 G HA3 0.509 4.470 3.960 0.001 0.000 0.301 182 G C -3.285 171.675 174.900 0.100 0.000 1.339 182 G CA -0.775 44.459 45.100 0.223 0.000 0.803 182 G HN 0.279 nan 8.290 nan 0.000 0.482 183 P HA 0.196 nan 4.420 nan 0.000 0.274 183 P C -0.213 177.138 177.300 0.084 0.000 1.246 183 P CA 0.054 63.157 63.100 0.005 0.000 0.795 183 P CB 0.405 32.090 31.700 -0.025 0.000 1.006 184 N N -2.460 116.282 118.700 0.071 0.000 2.725 184 N HA -0.153 4.587 4.740 0.001 0.000 0.251 184 N C -0.053 175.510 175.510 0.089 0.000 1.031 184 N CA 0.351 53.449 53.050 0.079 0.000 0.720 184 N CB -1.546 36.988 38.487 0.078 0.000 0.930 184 N HN 0.614 nan 8.380 nan 0.000 0.543 185 A N 0.539 123.413 122.820 0.090 0.000 2.286 185 A HA 0.538 4.858 4.320 0.001 0.000 0.286 185 A C -0.786 176.834 177.584 0.061 0.000 1.097 185 A CA -1.098 50.991 52.037 0.086 0.000 0.821 185 A CB 0.531 19.587 19.000 0.094 0.000 1.076 185 A HN 0.103 nan 8.150 nan 0.000 0.490 186 P HA 0.070 nan 4.420 nan 0.000 0.231 186 P C -0.258 177.053 177.300 0.017 0.000 1.168 186 P CA 0.911 64.031 63.100 0.035 0.000 0.779 186 P CB 0.057 31.775 31.700 0.031 0.000 0.844 187 L N 0.779 121.998 121.223 -0.006 0.000 2.345 187 L HA 0.472 4.813 4.340 0.001 0.000 0.274 187 L C -0.046 176.760 176.870 -0.106 0.000 0.999 187 L CA -0.748 54.059 54.840 -0.055 0.000 0.849 187 L CB 1.744 43.750 42.059 -0.088 0.000 1.220 187 L HN -0.249 nan 8.230 nan 0.000 0.422 188 I N 2.339 122.876 120.570 -0.055 0.000 2.336 188 I HA 0.310 4.481 4.170 0.001 0.000 0.292 188 I C -0.228 175.887 176.117 -0.003 0.000 0.991 188 I CA -0.505 60.798 61.300 0.005 0.000 1.227 188 I CB 1.202 39.246 38.000 0.074 0.000 1.366 188 I HN 0.304 nan 8.210 nan 0.000 0.466 189 F N 4.390 124.420 119.950 0.133 0.000 2.578 189 F HA 0.060 4.588 4.527 0.001 0.000 0.381 189 F C 1.157 177.037 175.800 0.133 0.000 1.069 189 F CA 0.123 58.224 58.000 0.168 0.000 1.231 189 F CB 0.108 39.178 39.000 0.117 0.000 1.086 189 F HN 0.445 nan 8.300 nan 0.000 0.564 190 E N 4.511 124.904 120.200 0.322 0.000 2.166 190 E HA 0.099 4.449 4.350 0.001 0.000 0.279 190 E C 0.007 176.706 176.600 0.165 0.000 1.095 190 E CA -0.393 56.142 56.400 0.224 0.000 0.888 190 E CB 0.518 30.362 29.700 0.239 0.000 1.041 190 E HN 0.471 nan 8.360 nan 0.000 0.414 191 R N 1.110 121.669 120.500 0.099 0.000 2.590 191 R HA 0.101 4.442 4.340 0.001 0.000 0.274 191 R C 1.082 177.365 176.300 -0.029 0.000 1.061 191 R CA 0.810 56.920 56.100 0.016 0.000 1.081 191 R CB 0.470 30.769 30.300 -0.001 0.000 0.984 191 R HN 0.873 nan 8.270 nan 0.000 0.448 192 G N 2.167 110.916 108.800 -0.085 0.000 2.162 192 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 192 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 192 G C 0.216 175.046 174.900 -0.116 0.000 0.976 192 G CA -0.097 44.938 45.100 -0.107 0.000 0.655 192 G HN 0.521 nan 8.290 nan 0.000 0.533 193 L N 0.625 121.804 121.223 -0.072 0.000 2.935 193 L HA 0.407 4.748 4.340 0.001 0.000 0.243 193 L C 0.748 177.690 176.870 0.120 0.000 1.313 193 L CA -0.493 54.298 54.840 -0.083 0.000 0.969 193 L CB 0.474 42.453 42.059 -0.132 0.000 1.320 193 L HN 0.078 nan 8.230 nan 0.000 0.511 194 R N 0.756 121.273 120.500 0.029 0.000 2.215 194 R HA 0.385 4.726 4.340 0.001 0.000 0.337 194 R C 0.522 176.904 176.300 0.136 0.000 1.010 194 R CA -0.379 55.769 56.100 0.079 0.000 0.871 194 R CB 1.503 31.656 30.300 -0.244 0.000 1.134 194 R HN 0.317 nan 8.270 nan 0.000 0.477 195 G N 2.422 111.396 108.800 0.290 0.000 2.663 195 G HA2 0.144 4.105 3.960 0.001 0.000 0.320 195 G HA3 0.144 4.105 3.960 0.001 0.000 0.320 195 G C -0.231 174.830 174.900 0.269 0.000 0.937 195 G CA -0.090 45.163 45.100 0.255 0.000 1.332 195 G HN 0.346 nan 8.290 nan 0.000 0.461 196 T N 1.225 115.898 114.554 0.198 0.000 2.867 196 T HA 0.473 4.824 4.350 0.001 0.000 0.282 196 T C -0.879 173.938 174.700 0.195 0.000 1.000 196 T CA -0.139 62.079 62.100 0.197 0.000 1.042 196 T CB 1.407 70.362 68.868 0.145 0.000 0.973 196 T HN 0.664 nan 8.240 nan 0.000 0.465 197 H N 2.299 121.404 119.070 0.058 0.000 2.877 197 H HA 0.590 5.146 4.556 0.001 0.000 0.347 197 H C -1.239 174.059 175.328 -0.049 0.000 1.042 197 H CA -0.719 55.346 56.048 0.028 0.000 1.276 197 H CB 0.731 30.539 29.762 0.077 0.000 1.681 197 H HN 0.437 nan 8.280 nan 0.000 0.521 198 M N 3.854 123.089 119.600 -0.609 0.000 2.530 198 M HA 0.380 4.861 4.480 0.001 0.000 0.307 198 M C -1.205 174.743 176.300 -0.588 0.000 1.161 198 M CA -0.804 54.175 55.300 -0.534 0.000 0.903 198 M CB 2.861 35.272 32.600 -0.314 0.000 1.711 198 M HN 0.710 nan 8.290 nan 0.000 0.451 199 Q N 1.098 120.679 119.800 -0.363 0.000 2.479 199 Q HA 0.238 4.579 4.340 0.001 0.000 0.276 199 Q C -1.791 174.161 176.000 -0.080 0.000 0.989 199 Q CA -0.685 55.006 55.803 -0.187 0.000 0.864 199 Q CB 2.326 30.998 28.738 -0.109 0.000 1.444 199 Q HN 0.804 nan 8.270 nan 0.000 0.388 200 H N 1.676 120.660 119.070 -0.142 0.000 2.934 200 H HA 0.651 5.208 4.556 0.001 0.000 0.273 200 H C -1.500 173.717 175.328 -0.184 0.000 1.121 200 H CA 0.751 56.686 56.048 -0.188 0.000 1.451 200 H CB 0.386 30.049 29.762 -0.165 0.000 1.469 200 H HN 0.601 nan 8.280 nan 0.000 0.476 201 A N 4.733 127.292 122.820 -0.435 0.000 2.435 201 A HA 0.444 4.765 4.320 0.001 0.000 0.304 201 A C -1.612 175.682 177.584 -0.483 0.000 1.064 201 A CA -0.746 51.079 52.037 -0.353 0.000 0.727 201 A CB 0.908 19.861 19.000 -0.078 0.000 1.284 201 A HN 0.677 nan 8.150 nan 0.000 0.415 202 Y N 1.790 121.945 120.300 -0.241 0.000 2.696 202 Y HA 0.143 4.694 4.550 0.001 0.000 0.378 202 Y C 1.041 177.013 175.900 0.120 0.000 1.012 202 Y CA -0.618 57.318 58.100 -0.274 0.000 1.396 202 Y CB 0.557 38.724 38.460 -0.489 0.000 1.415 202 Y HN 0.834 nan 8.280 nan 0.000 0.569 203 D N 0.041 120.635 120.400 0.323 0.000 2.183 203 D HA -0.081 4.559 4.640 0.001 0.000 0.205 203 D C 0.279 176.892 176.300 0.522 0.000 0.962 203 D CA 0.664 54.892 54.000 0.381 0.000 0.849 203 D CB 0.345 41.341 40.800 0.328 0.000 0.978 203 D HN 0.292 nan 8.370 nan 0.000 0.488 204 F N 0.582 120.777 119.950 0.407 0.000 2.604 204 F HA 0.476 5.004 4.527 0.001 0.000 0.316 204 F C -2.027 174.029 175.800 0.427 0.000 1.136 204 F CA -1.012 57.188 58.000 0.333 0.000 0.989 204 F CB 1.369 40.519 39.000 0.250 0.000 1.258 204 F HN -0.023 nan 8.300 nan 0.000 0.451 205 Y N 2.291 122.559 120.300 -0.053 0.000 2.641 205 Y HA 0.544 5.094 4.550 0.001 0.000 0.333 205 Y C -1.820 173.994 175.900 -0.143 0.000 1.174 205 Y CA -1.482 56.642 58.100 0.041 0.000 1.057 205 Y CB 1.487 40.057 38.460 0.184 0.000 1.322 205 Y HN 0.440 nan 8.280 nan 0.000 0.457 206 K N 2.308 122.730 120.400 0.038 0.000 2.877 206 K HA 0.262 4.583 4.320 0.001 0.000 0.176 206 K C -2.438 174.198 176.600 0.059 0.000 1.075 206 K CA -1.417 54.845 56.287 -0.041 0.000 0.939 206 K CB 1.285 33.786 32.500 0.003 0.000 1.237 206 K HN 0.527 nan 8.250 nan 0.000 0.607 207 P HA -0.029 nan 4.420 nan 0.000 0.239 207 P C -0.226 177.114 177.300 0.067 0.000 1.188 207 P CA 0.371 63.544 63.100 0.123 0.000 0.794 207 P CB 0.250 32.077 31.700 0.211 0.000 0.937 208 D N 0.739 121.152 120.400 0.022 0.000 2.352 208 D HA 0.087 4.728 4.640 0.001 0.000 0.245 208 D C 1.216 177.550 176.300 0.056 0.000 1.224 208 D CA -0.074 53.942 54.000 0.027 0.000 0.879 208 D CB 0.560 41.359 40.800 -0.002 0.000 1.057 208 D HN -0.194 nan 8.370 nan 0.000 0.491 209 M N 3.354 123.003 119.600 0.081 0.000 2.492 209 M HA -0.056 4.425 4.480 0.001 0.000 0.262 209 M C 1.228 177.663 176.300 0.225 0.000 1.090 209 M CA 0.353 55.730 55.300 0.128 0.000 1.110 209 M CB -0.262 32.397 32.600 0.097 0.000 1.407 209 M HN 0.375 nan 8.290 nan 0.000 0.470 210 L N -0.740 120.591 121.223 0.180 0.000 2.478 210 L HA 0.082 4.422 4.340 0.001 0.000 0.223 210 L C 1.120 178.171 176.870 0.302 0.000 1.140 210 L CA 0.548 55.554 54.840 0.278 0.000 0.842 210 L CB -0.569 41.556 42.059 0.110 0.000 0.953 210 L HN 0.114 nan 8.230 nan 0.000 0.452 211 S N -1.657 114.080 115.700 0.062 0.000 2.548 211 S HA 0.250 4.721 4.470 0.001 0.000 0.286 211 S C 0.799 175.148 174.600 -0.418 0.000 1.098 211 S CA -0.664 57.386 58.200 -0.249 0.000 0.930 211 S CB 1.451 64.553 63.200 -0.164 0.000 1.070 211 S HN 0.251 nan 8.310 nan 0.000 0.480 212 E N 1.917 121.571 120.200 -0.910 0.000 2.347 212 E HA -0.006 4.344 4.350 0.001 0.000 0.196 212 E C -0.628 175.792 176.600 -0.301 0.000 1.008 212 E CA 0.671 56.681 56.400 -0.650 0.000 0.852 212 E CB 0.100 29.334 29.700 -0.776 0.000 0.783 212 E HN 0.654 nan 8.360 nan 0.000 0.505 213 Y N 1.337 121.536 120.300 -0.167 0.000 2.304 213 Y HA 0.261 4.811 4.550 0.001 0.000 0.327 213 Y C -1.834 173.959 175.900 -0.178 0.000 1.209 213 Y CA -3.506 54.511 58.100 -0.138 0.000 1.299 213 Y CB -0.026 38.379 38.460 -0.093 0.000 1.249 213 Y HN 0.034 nan 8.280 nan 0.000 0.519 214 P HA 0.282 nan 4.420 nan 0.000 0.279 214 P C -0.551 176.538 177.300 -0.351 0.000 1.252 214 P CA -0.299 62.545 63.100 -0.427 0.000 0.811 214 P CB 1.401 32.465 31.700 -1.060 0.000 1.035 215 I N 1.265 121.519 120.570 -0.526 0.000 2.396 215 I HA 0.173 4.343 4.170 0.001 0.000 0.289 215 I C 0.046 175.893 176.117 -0.450 0.000 1.056 215 I CA -0.491 60.509 61.300 -0.501 0.000 1.365 215 I CB 0.878 38.417 38.000 -0.768 0.000 1.407 215 I HN -0.012 nan 8.210 nan 0.000 0.509 216 V N 5.469 125.290 119.914 -0.155 0.000 2.487 216 V HA 0.233 4.354 4.120 0.001 0.000 0.298 216 V C -0.328 175.821 176.094 0.091 0.000 1.028 216 V CA -0.610 61.721 62.300 0.053 0.000 0.860 216 V CB 2.075 34.012 31.823 0.191 0.000 0.991 216 V HN 0.608 nan 8.190 nan 0.000 0.427 217 D N 3.514 124.019 120.400 0.175 0.000 2.485 217 D HA 0.323 4.963 4.640 0.001 0.000 0.221 217 D C 1.218 177.616 176.300 0.163 0.000 1.112 217 D CA 0.237 54.330 54.000 0.154 0.000 0.911 217 D CB 1.514 42.429 40.800 0.192 0.000 1.019 217 D HN 0.596 nan 8.370 nan 0.000 0.516 218 G N 3.451 112.320 108.800 0.114 0.000 2.446 218 G HA2 -0.310 3.650 3.960 0.001 0.000 0.217 218 G HA3 -0.310 3.650 3.960 0.001 0.000 0.217 218 G C 1.418 176.398 174.900 0.134 0.000 1.168 218 G CA 0.782 45.950 45.100 0.112 0.000 0.771 218 G HN 0.475 nan 8.290 nan 0.000 0.551 219 K N -0.474 119.980 120.400 0.091 0.000 2.026 219 K HA -0.023 4.297 4.320 0.001 0.000 0.208 219 K C 2.444 179.184 176.600 0.234 0.000 1.048 219 K CA 1.118 57.466 56.287 0.101 0.000 0.929 219 K CB -0.300 32.149 32.500 -0.084 0.000 0.713 219 K HN 0.227 nan 8.250 nan 0.000 0.439 220 L N 1.253 122.583 121.223 0.179 0.000 2.079 220 L HA -0.182 4.158 4.340 0.001 0.000 0.210 220 L C 2.284 179.278 176.870 0.208 0.000 1.081 220 L CA 2.225 57.180 54.840 0.192 0.000 0.752 220 L CB -0.711 41.452 42.059 0.172 0.000 0.896 220 L HN 0.353 nan 8.230 nan 0.000 0.433 221 S N -1.040 114.800 115.700 0.234 0.000 2.382 221 S HA -0.185 4.286 4.470 0.001 0.000 0.228 221 S C 2.041 176.748 174.600 0.179 0.000 1.027 221 S CA 1.553 59.907 58.200 0.257 0.000 0.991 221 S CB -0.878 62.507 63.200 0.308 0.000 0.823 221 S HN 0.493 nan 8.310 nan 0.000 0.469 222 I N 1.638 122.314 120.570 0.177 0.000 2.233 222 I HA -0.144 4.027 4.170 0.001 0.000 0.243 222 I C 3.046 179.158 176.117 -0.009 0.000 1.093 222 I CA 1.529 62.887 61.300 0.098 0.000 1.380 222 I CB -0.472 37.651 38.000 0.205 0.000 1.067 222 I HN 0.408 nan 8.210 nan 0.000 0.413 223 Q N 0.352 120.164 119.800 0.020 0.000 2.096 223 Q HA -0.258 4.083 4.340 0.001 0.000 0.204 223 Q C 2.455 178.280 176.000 -0.292 0.000 0.982 223 Q CA 2.235 57.873 55.803 -0.276 0.000 0.850 223 Q CB -0.122 28.557 28.738 -0.098 0.000 0.901 223 Q HN 0.571 nan 8.270 nan 0.000 0.422 224 C N -0.356 118.915 119.300 -0.048 0.000 2.446 224 C HA -0.106 4.354 4.460 0.001 0.000 0.277 224 C C 2.394 177.392 174.990 0.013 0.000 1.275 224 C CA 0.598 59.648 59.018 0.053 0.000 1.727 224 C CB -1.202 26.682 27.740 0.240 0.000 2.010 224 C HN 0.662 nan 8.230 nan 0.000 0.486 225 Y N 1.394 121.488 120.300 -0.344 0.000 2.128 225 Y HA -0.202 4.349 4.550 0.001 0.000 0.284 225 Y C 2.256 178.018 175.900 -0.229 0.000 1.154 225 Y CA 1.706 59.428 58.100 -0.630 0.000 1.149 225 Y CB -0.285 37.847 38.460 -0.548 0.000 0.976 225 Y HN 0.218 nan 8.280 nan 0.000 0.505 226 L N -0.629 120.581 121.223 -0.021 0.000 2.072 226 L HA -0.173 4.168 4.340 0.001 0.000 0.205 226 L C 2.711 179.546 176.870 -0.059 0.000 1.079 226 L CA 1.364 56.173 54.840 -0.050 0.000 0.752 226 L CB -0.830 41.185 42.059 -0.073 0.000 0.906 226 L HN 0.332 nan 8.230 nan 0.000 0.436 227 S N 0.254 115.858 115.700 -0.160 0.000 2.383 227 S HA -0.132 4.339 4.470 0.001 0.000 0.227 227 S C 2.183 176.779 174.600 -0.006 0.000 1.026 227 S CA 0.787 58.961 58.200 -0.044 0.000 0.981 227 S CB -0.402 62.713 63.200 -0.143 0.000 0.818 227 S HN 0.324 nan 8.310 nan 0.000 0.472 228 A N 2.031 124.892 122.820 0.069 0.000 1.902 228 A HA 0.067 4.387 4.320 0.001 0.000 0.217 228 A C 2.232 179.896 177.584 0.132 0.000 1.181 228 A CA 1.572 53.742 52.037 0.222 0.000 0.623 228 A CB -0.971 18.335 19.000 0.511 0.000 0.818 228 A HN 0.516 nan 8.150 nan 0.000 0.443 229 L N 0.388 121.526 121.223 -0.141 0.000 2.012 229 L HA -0.205 4.135 4.340 0.001 0.000 0.210 229 L C 1.703 178.450 176.870 -0.204 0.000 1.073 229 L CA 2.622 57.094 54.840 -0.614 0.000 0.748 229 L CB -0.919 40.708 42.059 -0.720 0.000 0.891 229 L HN 0.366 nan 8.230 nan 0.000 0.431 230 D N -0.745 119.611 120.400 -0.074 0.000 2.116 230 D HA -0.235 4.405 4.640 0.001 0.000 0.193 230 D C 2.317 178.635 176.300 0.030 0.000 0.998 230 D CA 1.476 55.488 54.000 0.020 0.000 0.836 230 D CB -0.130 40.693 40.800 0.037 0.000 0.951 230 D HN 0.201 nan 8.370 nan 0.000 0.449 231 R N 0.629 121.116 120.500 -0.022 0.000 2.066 231 R HA -0.015 4.326 4.340 0.001 0.000 0.232 231 R C 2.263 178.596 176.300 0.054 0.000 1.131 231 R CA 1.277 57.344 56.100 -0.056 0.000 0.955 231 R CB -1.060 29.067 30.300 -0.290 0.000 0.851 231 R HN 0.185 nan 8.270 nan 0.000 0.432 232 C N -0.106 119.275 119.300 0.136 0.000 2.413 232 C HA -0.086 4.374 4.460 0.001 0.000 0.276 232 C C 2.394 177.540 174.990 0.258 0.000 1.248 232 C CA 0.852 60.017 59.018 0.245 0.000 1.742 232 C CB -1.257 26.723 27.740 0.401 0.000 2.017 232 C HN 0.544 nan 8.230 nan 0.000 0.481 233 Y N 1.544 121.866 120.300 0.038 0.000 2.242 233 Y HA -0.126 4.424 4.550 0.001 0.000 0.291 233 Y C 2.791 178.736 175.900 0.075 0.000 1.137 233 Y CA 1.578 59.706 58.100 0.047 0.000 1.181 233 Y CB -0.878 37.582 38.460 0.001 0.000 0.989 233 Y HN 0.321 nan 8.280 nan 0.000 0.527 234 S N -0.947 114.763 115.700 0.016 0.000 2.356 234 S HA -0.152 4.319 4.470 0.001 0.000 0.223 234 S C 2.137 176.704 174.600 -0.054 0.000 1.032 234 S CA 1.708 59.856 58.200 -0.087 0.000 1.005 234 S CB -0.838 62.332 63.200 -0.050 0.000 0.867 234 S HN 0.240 nan 8.310 nan 0.000 0.449 235 V N 0.841 120.769 119.914 0.023 0.000 2.295 235 V HA -0.121 3.999 4.120 0.001 0.000 0.246 235 V C 2.086 178.182 176.094 0.003 0.000 1.049 235 V CA 2.141 64.454 62.300 0.023 0.000 1.024 235 V CB -1.041 30.826 31.823 0.074 0.000 0.648 235 V HN 0.695 nan 8.190 nan 0.000 0.447 236 Y N 0.395 120.666 120.300 -0.049 0.000 2.081 236 Y HA -0.346 4.205 4.550 0.001 0.000 0.280 236 Y C 2.630 178.367 175.900 -0.271 0.000 1.163 236 Y CA 2.199 60.239 58.100 -0.101 0.000 1.135 236 Y CB -0.645 37.814 38.460 -0.002 0.000 0.970 236 Y HN 0.245 nan 8.280 nan 0.000 0.498 237 C N 0.794 119.984 119.300 -0.184 0.000 2.425 237 C HA -0.167 4.294 4.460 0.001 0.000 0.277 237 C C 2.733 177.556 174.990 -0.278 0.000 1.280 237 C CA 1.539 60.351 59.018 -0.343 0.000 1.744 237 C CB -1.136 26.399 27.740 -0.341 0.000 1.989 237 C HN 0.609 nan 8.230 nan 0.000 0.491 238 K N 1.103 121.387 120.400 -0.194 0.000 2.057 238 K HA -0.181 4.140 4.320 0.001 0.000 0.207 238 K C 2.028 178.543 176.600 -0.142 0.000 1.049 238 K CA 1.464 57.679 56.287 -0.121 0.000 0.931 238 K CB -0.149 32.301 32.500 -0.083 0.000 0.714 238 K HN 0.459 nan 8.250 nan 0.000 0.440 239 K N 0.500 120.764 120.400 -0.227 0.000 2.057 239 K HA -0.092 4.228 4.320 0.001 0.000 0.206 239 K C 2.186 178.570 176.600 -0.360 0.000 1.050 239 K CA 1.359 57.492 56.287 -0.257 0.000 0.935 239 K CB -0.133 32.208 32.500 -0.265 0.000 0.715 239 K HN 0.246 nan 8.250 nan 0.000 0.439 240 I N 0.583 120.808 120.570 -0.575 0.000 2.439 240 I HA -0.248 3.922 4.170 0.001 0.000 0.251 240 I C 2.373 178.083 176.117 -0.679 0.000 1.139 240 I CA 1.112 61.951 61.300 -0.769 0.000 1.438 240 I CB -0.010 37.313 38.000 -1.128 0.000 1.085 240 I HN 0.213 nan 8.210 nan 0.000 0.427 241 H N 1.120 119.903 119.070 -0.478 0.000 2.321 241 H HA -0.148 4.409 4.556 0.001 0.000 0.300 241 H C 2.122 177.402 175.328 -0.080 0.000 1.087 241 H CA 2.046 57.978 56.048 -0.194 0.000 1.319 241 H CB -0.137 29.560 29.762 -0.108 0.000 1.379 241 H HN 0.380 nan 8.280 nan 0.000 0.501 242 A N 0.455 123.190 122.820 -0.142 0.000 1.902 242 A HA -0.223 4.098 4.320 0.001 0.000 0.217 242 A C 2.322 179.838 177.584 -0.114 0.000 1.181 242 A CA 1.782 53.737 52.037 -0.136 0.000 0.623 242 A CB -0.590 18.360 19.000 -0.082 0.000 0.818 242 A HN 0.644 nan 8.150 nan 0.000 0.443 243 Q N -1.486 118.234 119.800 -0.133 0.000 2.020 243 Q HA -0.219 4.121 4.340 0.001 0.000 0.202 243 Q C 2.041 178.091 176.000 0.085 0.000 0.982 243 Q CA 1.603 57.370 55.803 -0.059 0.000 0.838 243 Q CB -0.272 28.396 28.738 -0.117 0.000 0.899 243 Q HN 0.886 nan 8.270 nan 0.000 0.423 244 W N 1.446 122.701 121.300 -0.075 0.000 2.342 244 W HA -0.145 4.515 4.660 0.001 0.000 0.297 244 W C 2.066 178.521 176.519 -0.106 0.000 1.213 244 W CA 0.814 58.120 57.345 -0.065 0.000 1.251 244 W CB -0.749 28.692 29.460 -0.032 0.000 1.136 244 W HN 0.321 nan 8.180 nan 0.000 0.526 245 Q N 0.057 119.880 119.800 0.037 0.000 2.119 245 Q HA -0.165 4.176 4.340 0.001 0.000 0.201 245 Q C 2.066 178.055 176.000 -0.018 0.000 0.972 245 Q CA 1.239 57.006 55.803 -0.060 0.000 0.847 245 Q CB -0.374 28.236 28.738 -0.213 0.000 0.903 245 Q HN 0.314 nan 8.270 nan 0.000 0.433 246 K N 0.678 121.075 120.400 -0.005 0.000 2.209 246 K HA -0.148 4.173 4.320 0.001 0.000 0.204 246 K C 1.479 178.092 176.600 0.022 0.000 1.048 246 K CA 0.987 57.277 56.287 0.005 0.000 0.940 246 K CB 0.091 32.595 32.500 0.006 0.000 0.729 246 K HN 0.280 nan 8.250 nan 0.000 0.451 247 E N -0.828 119.399 120.200 0.046 0.000 2.478 247 E HA 0.020 4.370 4.350 0.001 0.000 0.194 247 E C 0.785 177.393 176.600 0.013 0.000 1.045 247 E CA 0.334 56.758 56.400 0.040 0.000 0.868 247 E CB 0.574 30.317 29.700 0.072 0.000 0.885 247 E HN 0.455 nan 8.360 nan 0.000 0.505 248 G N 2.125 110.930 108.800 0.008 0.000 2.163 248 G HA2 -0.232 3.729 3.960 0.001 0.000 0.213 248 G HA3 -0.232 3.729 3.960 0.001 0.000 0.213 248 G C -0.133 174.755 174.900 -0.020 0.000 0.991 248 G CA -0.037 45.058 45.100 -0.009 0.000 0.653 248 G HN 0.225 nan 8.290 nan 0.000 0.518 249 N N 0.850 119.542 118.700 -0.014 0.000 2.476 249 N HA 0.516 5.257 4.740 0.001 0.000 0.257 249 N C 0.026 175.563 175.510 0.045 0.000 0.970 249 N CA -0.694 52.328 53.050 -0.047 0.000 0.938 249 N CB 1.217 39.584 38.487 -0.199 0.000 1.144 249 N HN -0.002 nan 8.380 nan 0.000 0.500 250 D N 1.316 121.746 120.400 0.049 0.000 2.342 250 D HA -0.009 4.631 4.640 0.001 0.000 0.221 250 D C 0.248 176.691 176.300 0.238 0.000 1.101 250 D CA 0.155 54.232 54.000 0.128 0.000 0.837 250 D CB 0.230 41.086 40.800 0.092 0.000 0.938 250 D HN 0.654 nan 8.370 nan 0.000 0.508 251 K N 0.764 121.284 120.400 0.201 0.000 2.258 251 K HA 0.127 4.447 4.320 0.001 0.000 0.264 251 K C -0.222 176.627 176.600 0.415 0.000 1.007 251 K CA -0.338 56.073 56.287 0.208 0.000 0.941 251 K CB 1.134 33.659 32.500 0.042 0.000 0.966 251 K HN -0.335 nan 8.250 nan 0.000 0.480 252 D N 1.576 122.140 120.400 0.274 0.000 2.302 252 D HA 0.105 4.745 4.640 0.001 0.000 0.248 252 D C -0.674 175.845 176.300 0.365 0.000 1.094 252 D CA -0.225 53.924 54.000 0.247 0.000 0.897 252 D CB 0.446 41.303 40.800 0.096 0.000 1.200 252 D HN 0.414 nan 8.370 nan 0.000 0.429 253 F N 1.782 121.844 119.950 0.186 0.000 2.484 253 F HA 0.217 4.744 4.527 0.001 0.000 0.360 253 F C 0.837 176.699 175.800 0.103 0.000 1.101 253 F CA 0.161 58.252 58.000 0.153 0.000 1.251 253 F CB 0.584 39.524 39.000 -0.099 0.000 1.132 253 F HN 0.220 nan 8.300 nan 0.000 0.570 254 T N 2.901 117.291 114.554 -0.274 0.000 2.864 254 T HA 0.347 4.698 4.350 0.001 0.000 0.289 254 T C 0.880 175.459 174.700 -0.201 0.000 1.082 254 T CA -0.902 61.189 62.100 -0.014 0.000 1.009 254 T CB 1.063 69.963 68.868 0.053 0.000 1.234 254 T HN 0.629 nan 8.240 nan 0.000 0.526 255 L N 0.730 122.037 121.223 0.141 0.000 2.189 255 L HA -0.097 4.244 4.340 0.001 0.000 0.214 255 L C 2.435 179.315 176.870 0.017 0.000 1.097 255 L CA 1.051 55.999 54.840 0.180 0.000 0.764 255 L CB -0.539 41.666 42.059 0.244 0.000 0.900 255 L HN 0.668 nan 8.230 nan 0.000 0.436 256 N N -0.167 118.487 118.700 -0.076 0.000 2.520 256 N HA -0.137 4.604 4.740 0.001 0.000 0.185 256 N C 0.951 176.350 175.510 -0.185 0.000 1.068 256 N CA 0.859 53.849 53.050 -0.101 0.000 0.911 256 N CB -0.056 38.383 38.487 -0.079 0.000 0.961 256 N HN 0.404 nan 8.380 nan 0.000 0.446 257 D N -0.452 119.696 120.400 -0.420 0.000 2.355 257 D HA -0.009 4.631 4.640 0.001 0.000 0.218 257 D C -0.221 175.942 176.300 -0.229 0.000 1.004 257 D CA 0.317 54.037 54.000 -0.468 0.000 0.880 257 D CB 0.102 40.308 40.800 -0.991 0.000 0.911 257 D HN 0.065 nan 8.370 nan 0.000 0.528 258 F N 0.390 120.330 119.950 -0.016 0.000 2.410 258 F HA 0.358 4.886 4.527 0.001 0.000 0.349 258 F C 1.654 177.399 175.800 -0.091 0.000 1.117 258 F CA -0.960 57.076 58.000 0.061 0.000 1.104 258 F CB 1.807 40.857 39.000 0.083 0.000 1.122 258 F HN -0.210 nan 8.300 nan 0.000 0.483 259 G N 2.916 111.750 108.800 0.057 0.000 2.408 259 G HA2 -0.019 3.941 3.960 0.001 0.000 0.215 259 G HA3 -0.019 3.941 3.960 0.001 0.000 0.215 259 G C -0.126 174.302 174.900 -0.786 0.000 1.156 259 G CA 0.514 45.410 45.100 -0.339 0.000 0.793 259 G HN 0.352 nan 8.290 nan 0.000 0.535 260 F N -1.591 118.345 119.950 -0.024 0.000 2.588 260 F HA 0.730 5.258 4.527 0.001 0.000 0.314 260 F C -0.326 175.352 175.800 -0.203 0.000 1.069 260 F CA -1.182 56.748 58.000 -0.117 0.000 0.931 260 F CB 2.522 41.416 39.000 -0.177 0.000 1.260 260 F HN -0.155 nan 8.300 nan 0.000 0.465 261 M N 4.908 124.469 119.600 -0.064 0.000 2.124 261 M HA 0.589 5.070 4.480 0.001 0.000 0.280 261 M C -1.500 174.602 176.300 -0.330 0.000 0.954 261 M CA -0.568 54.500 55.300 -0.387 0.000 0.958 261 M CB 1.270 33.646 32.600 -0.374 0.000 1.611 261 M HN 0.496 nan 8.290 nan 0.000 0.449 262 I N 0.398 120.667 120.570 -0.502 0.000 2.797 262 I HA 0.844 5.014 4.170 0.001 0.000 0.307 262 I C -1.686 174.128 176.117 -0.505 0.000 1.033 262 I CA -0.664 60.450 61.300 -0.309 0.000 1.071 262 I CB 2.082 39.968 38.000 -0.190 0.000 1.255 262 I HN 0.603 nan 8.210 nan 0.000 0.445 263 F N 1.219 121.154 119.950 -0.025 0.000 2.601 263 F HA 0.348 4.876 4.527 0.001 0.000 0.309 263 F C -0.054 175.797 175.800 0.086 0.000 1.089 263 F CA -0.808 57.255 58.000 0.105 0.000 0.940 263 F CB 1.333 40.444 39.000 0.185 0.000 1.273 263 F HN 0.635 nan 8.300 nan 0.000 0.450 264 H N 1.058 120.279 119.070 0.252 0.000 3.094 264 H HA 0.191 4.747 4.556 0.001 0.000 0.320 264 H C -0.394 175.096 175.328 0.270 0.000 1.000 264 H CA 0.479 56.654 56.048 0.212 0.000 1.413 264 H CB 0.786 30.687 29.762 0.232 0.000 1.405 264 H HN 0.425 nan 8.280 nan 0.000 0.586 265 S N 6.431 121.868 115.700 -0.439 0.000 2.532 265 S HA 0.278 4.749 4.470 0.001 0.000 0.256 265 S C -1.920 172.417 174.600 -0.440 0.000 1.298 265 S CA -1.468 56.515 58.200 -0.362 0.000 1.166 265 S CB 0.522 63.640 63.200 -0.138 0.000 1.022 265 S HN 0.655 nan 8.310 nan 0.000 0.480 266 P HA 0.044 nan 4.420 nan 0.000 0.218 266 P C -0.449 176.918 177.300 0.112 0.000 1.149 266 P CA 1.143 64.177 63.100 -0.111 0.000 0.817 266 P CB -0.156 31.517 31.700 -0.046 0.000 0.785 267 Y N -7.200 113.015 120.300 -0.142 0.000 2.620 267 Y HA 0.360 4.911 4.550 0.001 0.000 0.331 267 Y C 0.866 176.701 175.900 -0.108 0.000 1.173 267 Y CA -1.315 56.724 58.100 -0.101 0.000 1.076 267 Y CB -0.494 37.913 38.460 -0.089 0.000 1.336 267 Y HN -0.392 nan 8.280 nan 0.000 0.459 268 C N 0.631 119.929 119.300 -0.002 0.000 2.425 268 C HA -0.130 4.330 4.460 0.001 0.000 0.277 268 C C 2.637 177.570 174.990 -0.094 0.000 1.280 268 C CA 1.827 60.824 59.018 -0.036 0.000 1.744 268 C CB -0.822 26.948 27.740 0.049 0.000 1.989 268 C HN 1.000 nan 8.230 nan 0.000 0.491 269 K N 1.241 121.633 120.400 -0.014 0.000 2.044 269 K HA -0.172 4.149 4.320 0.001 0.000 0.210 269 K C 1.783 178.238 176.600 -0.242 0.000 1.049 269 K CA 1.500 57.760 56.287 -0.045 0.000 0.927 269 K CB -0.819 31.777 32.500 0.160 0.000 0.713 269 K HN 0.343 nan 8.250 nan 0.000 0.443 270 L N 0.161 121.046 121.223 -0.563 0.000 2.083 270 L HA -0.092 4.248 4.340 0.001 0.000 0.209 270 L C 1.930 178.460 176.870 -0.567 0.000 1.083 270 L CA 1.431 55.867 54.840 -0.672 0.000 0.752 270 L CB -0.406 40.954 42.059 -1.166 0.000 0.899 270 L HN 0.091 nan 8.230 nan 0.000 0.433 271 V N -0.499 119.106 119.914 -0.515 0.000 2.343 271 V HA -0.330 3.791 4.120 0.001 0.000 0.247 271 V C 2.568 178.414 176.094 -0.413 0.000 1.051 271 V CA 2.022 64.031 62.300 -0.486 0.000 1.036 271 V CB -0.742 30.935 31.823 -0.242 0.000 0.654 271 V HN 0.620 nan 8.190 nan 0.000 0.451 272 Q N 0.057 119.657 119.800 -0.332 0.000 2.084 272 Q HA -0.245 4.096 4.340 0.001 0.000 0.202 272 Q C 2.358 178.089 176.000 -0.447 0.000 0.978 272 Q CA 1.714 57.145 55.803 -0.620 0.000 0.844 272 Q CB -0.041 28.232 28.738 -0.775 0.000 0.898 272 Q HN 0.608 nan 8.270 nan 0.000 0.426 273 K N -0.350 119.843 120.400 -0.345 0.000 2.097 273 K HA -0.085 4.236 4.320 0.001 0.000 0.206 273 K C 2.215 178.665 176.600 -0.250 0.000 1.049 273 K CA 1.414 57.547 56.287 -0.256 0.000 0.933 273 K CB -0.003 32.370 32.500 -0.212 0.000 0.717 273 K HN 0.083 nan 8.250 nan 0.000 0.442 274 S N 1.449 116.942 115.700 -0.345 0.000 2.371 274 S HA -0.096 4.374 4.470 0.001 0.000 0.224 274 S C 1.846 176.285 174.600 -0.268 0.000 1.029 274 S CA 0.695 58.691 58.200 -0.340 0.000 0.978 274 S CB -0.168 62.723 63.200 -0.515 0.000 0.833 274 S HN 0.153 nan 8.310 nan 0.000 0.466 275 L N 2.003 123.056 121.223 -0.282 0.000 2.046 275 L HA -0.029 4.312 4.340 0.001 0.000 0.208 275 L C 2.370 179.256 176.870 0.026 0.000 1.077 275 L CA 1.758 56.616 54.840 0.030 0.000 0.747 275 L CB -0.895 41.286 42.059 0.202 0.000 0.896 275 L HN 0.265 nan 8.230 nan 0.000 0.432 276 A N -0.620 122.171 122.820 -0.048 0.000 1.933 276 A HA -0.265 4.056 4.320 0.001 0.000 0.218 276 A C 2.421 179.983 177.584 -0.035 0.000 1.175 276 A CA 1.799 53.837 52.037 0.001 0.000 0.628 276 A CB -0.591 18.382 19.000 -0.045 0.000 0.814 276 A HN 0.448 nan 8.150 nan 0.000 0.444 277 R N -0.399 120.040 120.500 -0.102 0.000 2.081 277 R HA -0.028 4.313 4.340 0.001 0.000 0.235 277 R C 2.100 178.352 176.300 -0.080 0.000 1.131 277 R CA 2.069 58.087 56.100 -0.137 0.000 0.960 277 R CB -0.524 29.701 30.300 -0.124 0.000 0.856 277 R HN 0.582 nan 8.270 nan 0.000 0.436 278 M N -0.458 119.120 119.600 -0.036 0.000 2.117 278 M HA -0.137 4.343 4.480 0.001 0.000 0.262 278 M C 1.974 178.366 176.300 0.153 0.000 1.065 278 M CA 1.286 56.579 55.300 -0.012 0.000 1.114 278 M CB -0.343 32.172 32.600 -0.142 0.000 1.361 278 M HN 0.208 nan 8.290 nan 0.000 0.408 279 L N 0.602 121.927 121.223 0.170 0.000 2.141 279 L HA -0.143 4.198 4.340 0.001 0.000 0.209 279 L C 2.153 179.194 176.870 0.285 0.000 1.094 279 L CA 1.372 56.400 54.840 0.313 0.000 0.763 279 L CB -0.582 41.700 42.059 0.371 0.000 0.908 279 L HN 0.215 nan 8.230 nan 0.000 0.437 280 L N -0.270 120.896 121.223 -0.096 0.000 2.046 280 L HA -0.202 4.138 4.340 0.001 0.000 0.208 280 L C 2.257 179.074 176.870 -0.088 0.000 1.077 280 L CA 1.785 56.289 54.840 -0.560 0.000 0.747 280 L CB -1.019 40.448 42.059 -0.987 0.000 0.896 280 L HN 0.368 nan 8.230 nan 0.000 0.432 281 N N 0.043 118.753 118.700 0.018 0.000 2.061 281 N HA -0.221 4.519 4.740 0.001 0.000 0.193 281 N C 1.423 177.025 175.510 0.154 0.000 1.030 281 N CA 1.905 55.024 53.050 0.116 0.000 0.856 281 N CB -0.320 38.328 38.487 0.269 0.000 1.023 281 N HN 0.471 nan 8.380 nan 0.000 0.424 282 D N 0.472 121.033 120.400 0.268 0.000 2.097 282 D HA -0.132 4.509 4.640 0.001 0.000 0.195 282 D C 1.708 178.068 176.300 0.099 0.000 0.989 282 D CA 0.537 54.697 54.000 0.266 0.000 0.827 282 D CB -0.571 40.485 40.800 0.425 0.000 0.966 282 D HN 0.199 nan 8.370 nan 0.000 0.456 283 F N 1.244 121.114 119.950 -0.133 0.000 2.065 283 F HA -0.185 4.343 4.527 0.001 0.000 0.298 283 F C 2.068 177.703 175.800 -0.275 0.000 1.112 283 F CA 1.420 59.115 58.000 -0.508 0.000 1.212 283 F CB -0.356 38.557 39.000 -0.145 0.000 0.975 283 F HN -0.088 nan 8.300 nan 0.000 0.476 284 L N 0.123 121.275 121.223 -0.119 0.000 2.141 284 L HA -0.207 4.134 4.340 0.001 0.000 0.209 284 L C 2.107 178.863 176.870 -0.189 0.000 1.094 284 L CA 1.030 55.758 54.840 -0.187 0.000 0.763 284 L CB -0.822 41.221 42.059 -0.028 0.000 0.908 284 L HN 0.198 nan 8.230 nan 0.000 0.437 285 N N -0.530 118.096 118.700 -0.122 0.000 2.396 285 N HA -0.109 4.631 4.740 0.001 0.000 0.180 285 N C 0.558 176.001 175.510 -0.112 0.000 1.028 285 N CA 0.670 53.660 53.050 -0.100 0.000 0.893 285 N CB -0.216 38.234 38.487 -0.061 0.000 0.967 285 N HN 0.227 nan 8.380 nan 0.000 0.440 286 D N 0.960 121.266 120.400 -0.156 0.000 2.325 286 D HA 0.047 4.688 4.640 0.001 0.000 0.251 286 D C 0.551 176.755 176.300 -0.159 0.000 1.196 286 D CA -0.045 53.883 54.000 -0.119 0.000 0.866 286 D CB 1.062 41.806 40.800 -0.094 0.000 1.101 286 D HN -0.109 nan 8.370 nan 0.000 0.476 287 Q N 2.088 121.833 119.800 -0.092 0.000 2.436 287 Q HA 0.048 4.389 4.340 0.001 0.000 0.209 287 Q C -0.039 175.921 176.000 -0.066 0.000 0.965 287 Q CA 0.754 56.505 55.803 -0.086 0.000 0.910 287 Q CB 0.210 28.915 28.738 -0.055 0.000 0.980 287 Q HN 0.358 nan 8.270 nan 0.000 0.491 288 N N -0.321 118.358 118.700 -0.034 0.000 2.635 288 N HA 0.145 4.886 4.740 0.001 0.000 0.307 288 N C 0.147 175.680 175.510 0.039 0.000 1.433 288 N CA -0.057 52.995 53.050 0.003 0.000 0.973 288 N CB 0.496 38.999 38.487 0.028 0.000 1.304 288 N HN 0.159 nan 8.380 nan 0.000 0.507 289 R N 0.505 120.979 120.500 -0.044 0.000 2.080 289 R HA -0.142 4.199 4.340 0.001 0.000 0.236 289 R C 1.630 178.036 176.300 0.177 0.000 1.137 289 R CA 2.065 58.155 56.100 -0.017 0.000 0.943 289 R CB -0.775 29.281 30.300 -0.406 0.000 0.846 289 R HN 0.399 nan 8.270 nan 0.000 0.431 290 D N 0.661 121.114 120.400 0.088 0.000 2.378 290 D HA -0.052 4.589 4.640 0.001 0.000 0.222 290 D C 1.858 178.217 176.300 0.099 0.000 0.980 290 D CA 1.551 55.616 54.000 0.109 0.000 0.907 290 D CB -0.365 40.472 40.800 0.061 0.000 0.899 290 D HN 0.517 nan 8.370 nan 0.000 0.527 291 K N -0.264 120.193 120.400 0.096 0.000 2.355 291 K HA 0.191 4.511 4.320 0.001 0.000 0.198 291 K C 0.758 177.404 176.600 0.077 0.000 1.039 291 K CA 0.033 56.363 56.287 0.071 0.000 1.075 291 K CB 0.110 32.639 32.500 0.049 0.000 0.870 291 K HN 0.370 nan 8.250 nan 0.000 0.540 292 N N 0.785 119.561 118.700 0.127 0.000 2.419 292 N HA 0.034 4.775 4.740 0.001 0.000 0.277 292 N C 0.899 176.412 175.510 0.005 0.000 1.006 292 N CA 0.580 53.673 53.050 0.071 0.000 0.923 292 N CB 1.942 40.502 38.487 0.122 0.000 1.140 292 N HN 0.216 nan 8.380 nan 0.000 0.488 293 S N 3.465 119.136 115.700 -0.049 0.000 2.481 293 S HA -0.119 4.352 4.470 0.001 0.000 0.231 293 S C 1.779 176.316 174.600 -0.104 0.000 0.996 293 S CA 0.195 58.366 58.200 -0.048 0.000 0.942 293 S CB -0.184 62.992 63.200 -0.039 0.000 0.768 293 S HN 0.623 nan 8.310 nan 0.000 0.520 294 I N 1.378 121.800 120.570 -0.246 0.000 2.394 294 I HA 0.037 4.208 4.170 0.001 0.000 0.251 294 I C 1.252 177.220 176.117 -0.249 0.000 1.136 294 I CA 0.795 61.903 61.300 -0.319 0.000 1.425 294 I CB -0.614 37.097 38.000 -0.480 0.000 1.079 294 I HN 0.398 nan 8.210 nan 0.000 0.425 295 Y N 0.646 121.007 120.300 0.101 0.000 2.461 295 Y HA 0.248 4.799 4.550 0.001 0.000 0.277 295 Y C 1.451 177.404 175.900 0.088 0.000 1.182 295 Y CA -0.181 58.007 58.100 0.146 0.000 1.276 295 Y CB -0.597 38.095 38.460 0.387 0.000 1.087 295 Y HN 0.110 nan 8.280 nan 0.000 0.519 296 S N 0.454 116.228 115.700 0.125 0.000 2.544 296 S HA 0.309 4.779 4.470 0.001 0.000 0.290 296 S C 1.351 175.980 174.600 0.047 0.000 1.276 296 S CA 0.262 58.512 58.200 0.083 0.000 1.075 296 S CB 0.770 63.990 63.200 0.034 0.000 0.849 296 S HN 0.798 nan 8.310 nan 0.000 0.494 297 G N 2.409 111.242 108.800 0.055 0.000 2.175 297 G HA2 -0.212 3.748 3.960 0.001 0.000 0.244 297 G HA3 -0.212 3.748 3.960 0.001 0.000 0.244 297 G C 0.282 175.201 174.900 0.032 0.000 0.982 297 G CA 0.189 45.304 45.100 0.024 0.000 0.641 297 G HN 0.814 nan 8.290 nan 0.000 0.527 298 L N 0.140 121.403 121.223 0.066 0.000 2.769 298 L HA 0.324 4.665 4.340 0.001 0.000 0.240 298 L C 1.988 178.993 176.870 0.225 0.000 1.163 298 L CA 0.194 55.087 54.840 0.088 0.000 0.962 298 L CB 0.236 42.121 42.059 -0.290 0.000 1.258 298 L HN 0.115 nan 8.230 nan 0.000 0.513 299 E N 1.500 121.801 120.200 0.168 0.000 2.160 299 E HA -0.194 4.157 4.350 0.001 0.000 0.195 299 E C 2.345 178.983 176.600 0.064 0.000 0.991 299 E CA 1.312 57.815 56.400 0.171 0.000 0.810 299 E CB -0.177 29.575 29.700 0.087 0.000 0.742 299 E HN 0.471 nan 8.360 nan 0.000 0.466 300 A N 0.122 122.848 122.820 -0.157 0.000 2.076 300 A HA -0.128 4.193 4.320 0.001 0.000 0.220 300 A C 1.340 178.693 177.584 -0.385 0.000 1.160 300 A CA 0.980 52.795 52.037 -0.369 0.000 0.653 300 A CB -0.572 18.037 19.000 -0.651 0.000 0.801 300 A HN 0.293 nan 8.150 nan 0.000 0.455 301 F N -0.858 119.178 119.950 0.143 0.000 2.664 301 F HA 0.265 4.793 4.527 0.001 0.000 0.303 301 F C 2.140 178.163 175.800 0.371 0.000 1.092 301 F CA 0.025 58.139 58.000 0.189 0.000 1.305 301 F CB -0.182 38.907 39.000 0.150 0.000 1.054 301 F HN 0.206 nan 8.300 nan 0.000 0.565 302 G N 0.033 109.123 108.800 0.483 0.000 2.450 302 G HA2 -0.213 3.748 3.960 0.001 0.000 0.220 302 G HA3 -0.213 3.748 3.960 0.001 0.000 0.220 302 G C 1.192 176.198 174.900 0.176 0.000 1.130 302 G CA 1.071 46.378 45.100 0.345 0.000 0.760 302 G HN 0.254 nan 8.290 nan 0.000 0.557 303 D N 0.044 120.534 120.400 0.150 0.000 2.363 303 D HA 0.108 4.748 4.640 0.001 0.000 0.214 303 D C 1.323 177.673 176.300 0.084 0.000 1.093 303 D CA -0.104 53.944 54.000 0.080 0.000 0.837 303 D CB 0.744 41.572 40.800 0.047 0.000 0.948 303 D HN 0.306 nan 8.370 nan 0.000 0.507 304 V N -1.012 118.985 119.914 0.137 0.000 3.051 304 V HA 0.286 4.407 4.120 0.001 0.000 0.306 304 V C 0.171 176.283 176.094 0.029 0.000 1.083 304 V CA -0.610 61.745 62.300 0.092 0.000 1.104 304 V CB 1.182 33.083 31.823 0.131 0.000 1.027 304 V HN -0.192 nan 8.190 nan 0.000 0.483 305 K N 2.839 123.226 120.400 -0.021 0.000 2.164 305 K HA 0.520 4.841 4.320 0.001 0.000 0.258 305 K C 0.741 177.256 176.600 -0.141 0.000 0.951 305 K CA -0.743 55.506 56.287 -0.063 0.000 0.844 305 K CB 2.177 34.644 32.500 -0.054 0.000 1.099 305 K HN 0.632 nan 8.250 nan 0.000 0.435 306 L N 1.979 123.107 121.223 -0.159 0.000 2.013 306 L HA -0.270 4.071 4.340 0.001 0.000 0.212 306 L C 2.407 178.969 176.870 -0.513 0.000 1.073 306 L CA 1.487 56.174 54.840 -0.254 0.000 0.753 306 L CB -0.353 41.618 42.059 -0.147 0.000 0.890 306 L HN 0.755 nan 8.230 nan 0.000 0.432 307 E N -0.581 119.389 120.200 -0.384 0.000 2.409 307 E HA -0.204 4.147 4.350 0.001 0.000 0.198 307 E C 0.579 176.901 176.600 -0.464 0.000 1.024 307 E CA 1.115 57.232 56.400 -0.472 0.000 0.861 307 E CB -0.276 29.378 29.700 -0.076 0.000 0.788 307 E HN 0.520 nan 8.360 nan 0.000 0.521 308 D N 1.009 121.211 120.400 -0.329 0.000 2.349 308 D HA 0.005 4.645 4.640 0.001 0.000 0.214 308 D C 0.801 176.987 176.300 -0.190 0.000 1.063 308 D CA 1.023 54.916 54.000 -0.178 0.000 0.847 308 D CB 0.660 41.412 40.800 -0.080 0.000 0.933 308 D HN 0.355 nan 8.370 nan 0.000 0.513 309 T N -3.420 110.916 114.554 -0.364 0.000 3.200 309 T HA 0.119 4.470 4.350 0.001 0.000 0.284 309 T C 1.454 176.000 174.700 -0.256 0.000 1.009 309 T CA -0.425 61.529 62.100 -0.244 0.000 0.907 309 T CB -0.676 68.055 68.868 -0.229 0.000 1.120 309 T HN 0.049 nan 8.240 nan 0.000 0.534 310 Y N 0.786 120.979 120.300 -0.178 0.000 2.256 310 Y HA 0.083 4.634 4.550 0.001 0.000 0.288 310 Y C 1.035 176.503 175.900 -0.720 0.000 1.155 310 Y CA 0.816 58.642 58.100 -0.457 0.000 1.203 310 Y CB -0.225 37.915 38.460 -0.534 0.000 0.980 310 Y HN 0.329 nan 8.280 nan 0.000 0.530 311 F N -1.242 118.782 119.950 0.123 0.000 2.791 311 F HA 0.157 4.684 4.527 0.001 0.000 0.316 311 F C 0.037 175.857 175.800 0.033 0.000 1.134 311 F CA -0.795 57.247 58.000 0.070 0.000 1.222 311 F CB 0.462 39.508 39.000 0.077 0.000 1.034 311 F HN -0.198 nan 8.300 nan 0.000 0.516 312 D N 0.998 121.459 120.400 0.102 0.000 2.336 312 D HA 0.066 4.707 4.640 0.001 0.000 0.249 312 D C 1.396 177.725 176.300 0.047 0.000 1.213 312 D CA 0.227 54.270 54.000 0.072 0.000 0.870 312 D CB 1.025 41.843 40.800 0.029 0.000 1.076 312 D HN -0.031 nan 8.370 nan 0.000 0.483 313 R N 2.724 123.266 120.500 0.070 0.000 2.153 313 R HA -0.042 4.299 4.340 0.001 0.000 0.218 313 R C 1.299 177.621 176.300 0.038 0.000 1.072 313 R CA 0.854 56.985 56.100 0.051 0.000 0.990 313 R CB -0.413 29.922 30.300 0.058 0.000 0.889 313 R HN 0.612 nan 8.270 nan 0.000 0.452 314 D N 0.192 120.637 120.400 0.075 0.000 2.097 314 D HA -0.056 4.584 4.640 0.001 0.000 0.197 314 D C 2.013 178.313 176.300 0.001 0.000 0.984 314 D CA 1.280 55.358 54.000 0.130 0.000 0.826 314 D CB -0.332 40.627 40.800 0.265 0.000 0.973 314 D HN 0.147 nan 8.370 nan 0.000 0.460 315 V N 1.375 121.220 119.914 -0.115 0.000 2.295 315 V HA -0.239 3.882 4.120 0.001 0.000 0.246 315 V C 2.533 178.511 176.094 -0.193 0.000 1.049 315 V CA 1.896 63.945 62.300 -0.419 0.000 1.024 315 V CB -0.490 31.162 31.823 -0.284 0.000 0.648 315 V HN 0.221 nan 8.190 nan 0.000 0.447 316 E N 0.756 120.891 120.200 -0.109 0.000 2.038 316 E HA -0.293 4.058 4.350 0.001 0.000 0.195 316 E C 2.407 178.973 176.600 -0.056 0.000 1.000 316 E CA 2.236 58.593 56.400 -0.071 0.000 0.803 316 E CB -0.228 29.443 29.700 -0.049 0.000 0.750 316 E HN 0.577 nan 8.360 nan 0.000 0.448 317 K N 0.630 121.000 120.400 -0.050 0.000 2.032 317 K HA -0.087 4.234 4.320 0.001 0.000 0.209 317 K C 2.203 178.758 176.600 -0.075 0.000 1.048 317 K CA 1.812 58.072 56.287 -0.045 0.000 0.927 317 K CB -1.378 31.115 32.500 -0.012 0.000 0.712 317 K HN 0.377 nan 8.250 nan 0.000 0.441 318 A N -0.194 122.554 122.820 -0.121 0.000 1.877 318 A HA 0.092 4.412 4.320 0.001 0.000 0.216 318 A C 2.278 179.655 177.584 -0.346 0.000 1.186 318 A CA 1.678 53.579 52.037 -0.227 0.000 0.620 318 A CB -0.496 18.286 19.000 -0.363 0.000 0.822 318 A HN 0.528 nan 8.150 nan 0.000 0.443 319 F N -0.920 118.865 119.950 -0.274 0.000 2.512 319 F HA 0.079 4.607 4.527 0.001 0.000 0.296 319 F C 2.419 178.132 175.800 -0.146 0.000 1.110 319 F CA 0.865 58.738 58.000 -0.211 0.000 1.446 319 F CB -0.239 38.609 39.000 -0.254 0.000 1.092 319 F HN 0.100 nan 8.300 nan 0.000 0.554 320 M N -0.506 119.081 119.600 -0.020 0.000 2.132 320 M HA -0.215 4.265 4.480 0.001 0.000 0.263 320 M C 2.360 178.610 176.300 -0.084 0.000 1.065 320 M CA 1.490 56.739 55.300 -0.084 0.000 1.122 320 M CB -0.303 32.228 32.600 -0.115 0.000 1.365 320 M HN -0.178 nan 8.290 nan 0.000 0.411 321 K N 0.182 120.530 120.400 -0.085 0.000 2.002 321 K HA -0.029 4.292 4.320 0.001 0.000 0.209 321 K C 2.153 178.711 176.600 -0.070 0.000 1.048 321 K CA 1.345 57.588 56.287 -0.074 0.000 0.930 321 K CB -1.252 31.203 32.500 -0.075 0.000 0.714 321 K HN 0.549 nan 8.250 nan 0.000 0.438 322 A N 1.450 124.201 122.820 -0.114 0.000 1.972 322 A HA -0.125 4.195 4.320 0.001 0.000 0.219 322 A C 2.105 179.675 177.584 -0.024 0.000 1.169 322 A CA 2.031 54.004 52.037 -0.106 0.000 0.635 322 A CB -0.578 18.282 19.000 -0.233 0.000 0.810 322 A HN 0.545 nan 8.150 nan 0.000 0.446 323 S N -0.244 115.464 115.700 0.012 0.000 2.577 323 S HA 0.049 4.520 4.470 0.001 0.000 0.219 323 S C 1.613 176.265 174.600 0.087 0.000 0.962 323 S CA 0.706 58.948 58.200 0.070 0.000 0.921 323 S CB -0.386 62.876 63.200 0.104 0.000 0.789 323 S HN 0.762 nan 8.310 nan 0.000 0.497 324 S N 1.722 117.452 115.700 0.051 0.000 2.368 324 S HA -0.132 4.339 4.470 0.001 0.000 0.225 324 S C 1.949 176.638 174.600 0.148 0.000 1.030 324 S CA 1.253 59.507 58.200 0.090 0.000 0.999 324 S CB -1.193 62.030 63.200 0.039 0.000 0.844 324 S HN 0.790 nan 8.310 nan 0.000 0.459 325 E N 1.808 122.062 120.200 0.090 0.000 2.072 325 E HA 0.147 4.497 4.350 0.001 0.000 0.190 325 E C 2.094 178.746 176.600 0.087 0.000 0.982 325 E CA 1.204 57.649 56.400 0.075 0.000 0.803 325 E CB -1.118 28.604 29.700 0.035 0.000 0.755 325 E HN 0.674 nan 8.360 nan 0.000 0.453 326 L N -1.197 120.086 121.223 0.100 0.000 2.046 326 L HA -0.046 4.294 4.340 0.001 0.000 0.208 326 L C 2.637 179.599 176.870 0.154 0.000 1.077 326 L CA 1.636 56.539 54.840 0.105 0.000 0.747 326 L CB -0.383 41.749 42.059 0.121 0.000 0.896 326 L HN 0.427 nan 8.230 nan 0.000 0.432 327 F N 0.390 120.367 119.950 0.044 0.000 2.069 327 F HA -0.295 4.233 4.527 0.001 0.000 0.298 327 F C 2.914 178.752 175.800 0.064 0.000 1.113 327 F CA 1.818 59.849 58.000 0.051 0.000 1.214 327 F CB -0.521 38.493 39.000 0.024 0.000 0.978 327 F HN 0.004 nan 8.300 nan 0.000 0.474 328 S N -0.354 115.389 115.700 0.071 0.000 2.365 328 S HA -0.289 4.182 4.470 0.001 0.000 0.225 328 S C 1.991 176.584 174.600 -0.012 0.000 1.039 328 S CA 1.957 60.146 58.200 -0.019 0.000 1.033 328 S CB -0.439 62.803 63.200 0.069 0.000 0.887 328 S HN 0.670 nan 8.310 nan 0.000 0.447 329 Q N -0.127 119.682 119.800 0.016 0.000 2.083 329 Q HA 0.018 4.358 4.340 0.001 0.000 0.198 329 Q C 2.160 178.150 176.000 -0.018 0.000 0.969 329 Q CA 1.241 57.049 55.803 0.008 0.000 0.838 329 Q CB -0.022 28.693 28.738 -0.038 0.000 0.900 329 Q HN 0.526 nan 8.270 nan 0.000 0.436 330 K N -1.288 119.098 120.400 -0.024 0.000 2.335 330 K HA 0.148 4.469 4.320 0.001 0.000 0.195 330 K C 1.170 177.829 176.600 0.098 0.000 1.058 330 K CA 0.915 57.198 56.287 -0.007 0.000 0.988 330 K CB 0.841 33.334 32.500 -0.013 0.000 0.880 330 K HN -0.014 nan 8.250 nan 0.000 0.513 331 T N 0.006 114.531 114.554 -0.048 0.000 3.048 331 T HA 0.021 4.372 4.350 0.001 0.000 0.254 331 T C 1.396 175.886 174.700 -0.349 0.000 0.942 331 T CA 0.027 62.059 62.100 -0.115 0.000 0.931 331 T CB 0.337 69.213 68.868 0.013 0.000 1.220 331 T HN -0.066 nan 8.240 nan 0.000 0.503 332 K N 2.892 122.902 120.400 -0.649 0.000 2.032 332 K HA 0.105 4.425 4.320 0.001 0.000 0.209 332 K C 2.237 178.716 176.600 -0.202 0.000 1.048 332 K CA 1.795 57.716 56.287 -0.611 0.000 0.927 332 K CB -0.689 31.500 32.500 -0.518 0.000 0.712 332 K HN 0.236 nan 8.250 nan 0.000 0.441 333 A N 0.341 123.121 122.820 -0.067 0.000 1.933 333 A HA -0.171 4.149 4.320 0.001 0.000 0.218 333 A C 2.175 179.753 177.584 -0.011 0.000 1.175 333 A CA 2.258 54.293 52.037 -0.004 0.000 0.628 333 A CB -1.174 17.895 19.000 0.116 0.000 0.814 333 A HN 0.579 nan 8.150 nan 0.000 0.444 334 S N -0.193 115.507 115.700 0.001 0.000 2.465 334 S HA -0.077 4.394 4.470 0.001 0.000 0.241 334 S C 1.448 176.038 174.600 -0.017 0.000 1.000 334 S CA 1.445 59.638 58.200 -0.011 0.000 0.964 334 S CB -0.613 62.588 63.200 0.001 0.000 0.763 334 S HN 0.465 nan 8.310 nan 0.000 0.512 335 L N 0.626 121.831 121.223 -0.029 0.000 2.612 335 L HA 0.266 4.606 4.340 0.001 0.000 0.230 335 L C 2.051 178.898 176.870 -0.039 0.000 1.140 335 L CA -0.080 54.748 54.840 -0.020 0.000 0.896 335 L CB -0.343 41.716 42.059 0.000 0.000 1.065 335 L HN 0.288 nan 8.230 nan 0.000 0.447 336 L N -0.026 121.166 121.223 -0.053 0.000 1.997 336 L HA -0.239 4.101 4.340 0.001 0.000 0.216 336 L C 2.326 179.137 176.870 -0.099 0.000 1.074 336 L CA 2.077 56.872 54.840 -0.075 0.000 0.763 336 L CB -0.467 41.545 42.059 -0.078 0.000 0.890 336 L HN -0.009 nan 8.230 nan 0.000 0.434 337 V N -0.929 118.932 119.914 -0.088 0.000 2.307 337 V HA -0.263 3.858 4.120 0.001 0.000 0.245 337 V C 2.770 178.801 176.094 -0.105 0.000 1.045 337 V CA 1.794 64.022 62.300 -0.121 0.000 1.024 337 V CB -0.699 31.085 31.823 -0.065 0.000 0.651 337 V HN 0.710 nan 8.190 nan 0.000 0.449 338 S N 0.318 115.982 115.700 -0.059 0.000 2.353 338 S HA -0.310 4.160 4.470 0.001 0.000 0.222 338 S C 2.076 176.645 174.600 -0.051 0.000 1.035 338 S CA 2.278 60.453 58.200 -0.042 0.000 1.025 338 S CB -0.705 62.477 63.200 -0.030 0.000 0.902 338 S HN 0.703 nan 8.310 nan 0.000 0.440 339 N N -0.397 118.270 118.700 -0.056 0.000 2.166 339 N HA -0.104 4.636 4.740 0.001 0.000 0.186 339 N C 1.476 176.925 175.510 -0.103 0.000 1.019 339 N CA 1.199 54.215 53.050 -0.057 0.000 0.856 339 N CB -0.135 38.324 38.487 -0.047 0.000 0.993 339 N HN 0.472 nan 8.380 nan 0.000 0.426 340 Q N -0.398 119.310 119.800 -0.153 0.000 2.408 340 Q HA 0.064 4.405 4.340 0.001 0.000 0.205 340 Q C 0.461 176.302 176.000 -0.266 0.000 0.919 340 Q CA 0.505 56.166 55.803 -0.237 0.000 0.932 340 Q CB 0.366 28.941 28.738 -0.273 0.000 1.058 340 Q HN 0.394 nan 8.270 nan 0.000 0.517 341 N N -0.663 117.920 118.700 -0.195 0.000 2.104 341 N HA 0.143 4.884 4.740 0.001 0.000 0.227 341 N C 0.259 175.736 175.510 -0.054 0.000 1.321 341 N CA 0.896 53.854 53.050 -0.154 0.000 0.877 341 N CB 1.194 39.542 38.487 -0.233 0.000 1.117 341 N HN 0.173 nan 8.380 nan 0.000 0.486 342 G N 0.862 109.638 108.800 -0.041 0.000 2.615 342 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 342 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 342 G C -0.855 174.059 174.900 0.024 0.000 1.339 342 G CA -0.276 44.826 45.100 0.003 0.000 0.884 342 G HN 0.454 nan 8.290 nan 0.000 0.559 343 N N 0.659 119.392 118.700 0.055 0.000 2.411 343 N HA 0.467 5.207 4.740 0.001 0.000 0.259 343 N C 1.201 176.738 175.510 0.046 0.000 1.103 343 N CA -0.193 52.910 53.050 0.089 0.000 0.954 343 N CB 0.381 38.980 38.487 0.187 0.000 1.085 343 N HN 0.479 nan 8.380 nan 0.000 0.485 344 M N 3.826 123.495 119.600 0.116 0.000 2.493 344 M HA 0.061 4.542 4.480 0.001 0.000 0.244 344 M C -0.095 176.353 176.300 0.248 0.000 1.182 344 M CA -0.474 54.900 55.300 0.123 0.000 0.981 344 M CB -0.093 32.595 32.600 0.147 0.000 1.551 344 M HN 0.398 nan 8.290 nan 0.000 0.476 345 Y N -0.458 119.978 120.300 0.227 0.000 2.835 345 Y HA -0.496 4.055 4.550 0.001 0.000 0.470 345 Y C 2.443 178.438 175.900 0.158 0.000 1.154 345 Y CA 1.912 60.135 58.100 0.206 0.000 2.680 345 Y CB -2.205 36.328 38.460 0.122 0.000 1.184 345 Y HN 0.429 nan 8.280 nan 0.000 0.622 346 T N -1.572 113.148 114.554 0.277 0.000 2.803 346 T HA -0.139 4.211 4.350 0.001 0.000 0.269 346 T C 1.632 176.473 174.700 0.235 0.000 1.052 346 T CA 2.440 64.636 62.100 0.159 0.000 1.136 346 T CB -0.759 68.173 68.868 0.107 0.000 0.864 346 T HN 0.690 nan 8.240 nan 0.000 0.467 347 S N 0.445 116.301 115.700 0.259 0.000 2.593 347 S HA 0.178 4.648 4.470 0.001 0.000 0.217 347 S C 2.076 176.831 174.600 0.258 0.000 0.966 347 S CA 0.521 58.900 58.200 0.299 0.000 0.914 347 S CB -0.234 63.107 63.200 0.235 0.000 0.776 347 S HN 0.470 nan 8.310 nan 0.000 0.523 348 S N 1.406 117.256 115.700 0.250 0.000 2.353 348 S HA -0.113 4.357 4.470 0.001 0.000 0.222 348 S C 1.816 176.468 174.600 0.087 0.000 1.035 348 S CA 1.610 59.926 58.200 0.195 0.000 1.025 348 S CB -0.801 62.564 63.200 0.276 0.000 0.902 348 S HN 0.478 nan 8.310 nan 0.000 0.440 349 V N 0.483 120.402 119.914 0.009 0.000 2.490 349 V HA -0.086 4.035 4.120 0.001 0.000 0.250 349 V C 1.768 177.610 176.094 -0.420 0.000 1.061 349 V CA 1.859 64.017 62.300 -0.238 0.000 1.064 349 V CB -0.714 30.875 31.823 -0.390 0.000 0.670 349 V HN 0.726 nan 8.190 nan 0.000 0.461 350 Y N 0.902 121.244 120.300 0.071 0.000 2.395 350 Y HA 0.165 4.716 4.550 0.001 0.000 0.293 350 Y C 2.499 178.429 175.900 0.050 0.000 1.123 350 Y CA 0.865 58.996 58.100 0.052 0.000 1.227 350 Y CB -1.104 37.388 38.460 0.053 0.000 1.012 350 Y HN 0.297 nan 8.280 nan 0.000 0.552 351 G N -0.889 107.995 108.800 0.139 0.000 2.408 351 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 351 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 351 G C 1.843 176.765 174.900 0.038 0.000 1.150 351 G CA 1.191 46.349 45.100 0.097 0.000 0.776 351 G HN 0.353 nan 8.290 nan 0.000 0.542 352 S N 0.237 115.939 115.700 0.003 0.000 2.383 352 S HA -0.073 4.398 4.470 0.001 0.000 0.227 352 S C 2.144 176.721 174.600 -0.038 0.000 1.026 352 S CA 0.945 59.133 58.200 -0.020 0.000 0.981 352 S CB -0.247 62.940 63.200 -0.022 0.000 0.818 352 S HN 0.255 nan 8.310 nan 0.000 0.472 353 L N 2.227 123.426 121.223 -0.041 0.000 2.012 353 L HA -0.060 4.280 4.340 0.001 0.000 0.210 353 L C 2.365 179.229 176.870 -0.010 0.000 1.073 353 L CA 1.963 56.785 54.840 -0.030 0.000 0.748 353 L CB -1.091 40.990 42.059 0.037 0.000 0.891 353 L HN 0.249 nan 8.230 nan 0.000 0.431 354 A N -1.485 121.354 122.820 0.032 0.000 1.908 354 A HA -0.218 4.103 4.320 0.001 0.000 0.218 354 A C 2.391 179.977 177.584 0.003 0.000 1.181 354 A CA 2.106 54.162 52.037 0.032 0.000 0.627 354 A CB -1.023 18.019 19.000 0.069 0.000 0.818 354 A HN 0.550 nan 8.150 nan 0.000 0.445 355 S N -0.532 115.164 115.700 -0.007 0.000 2.368 355 S HA -0.133 4.338 4.470 0.001 0.000 0.225 355 S C 1.889 176.470 174.600 -0.033 0.000 1.030 355 S CA 1.423 59.608 58.200 -0.025 0.000 0.999 355 S CB -0.469 62.713 63.200 -0.029 0.000 0.844 355 S HN 0.359 nan 8.310 nan 0.000 0.459 356 V N 2.208 122.092 119.914 -0.049 0.000 2.295 356 V HA -0.144 3.977 4.120 0.001 0.000 0.246 356 V C 2.152 178.225 176.094 -0.036 0.000 1.049 356 V CA 1.507 63.763 62.300 -0.074 0.000 1.024 356 V CB -0.724 30.921 31.823 -0.296 0.000 0.648 356 V HN 0.437 nan 8.190 nan 0.000 0.447 357 L N 0.139 121.326 121.223 -0.061 0.000 2.131 357 L HA -0.137 4.204 4.340 0.001 0.000 0.210 357 L C 2.622 179.481 176.870 -0.018 0.000 1.092 357 L CA 1.414 56.233 54.840 -0.035 0.000 0.759 357 L CB -0.762 41.281 42.059 -0.027 0.000 0.903 357 L HN 0.373 nan 8.230 nan 0.000 0.435 358 A N -0.703 122.100 122.820 -0.028 0.000 2.014 358 A HA -0.148 4.172 4.320 0.001 0.000 0.218 358 A C 2.040 179.578 177.584 -0.077 0.000 1.163 358 A CA 1.193 53.206 52.037 -0.039 0.000 0.652 358 A CB -0.116 18.863 19.000 -0.035 0.000 0.808 358 A HN 0.530 nan 8.150 nan 0.000 0.449 359 Q N -2.541 117.184 119.800 -0.126 0.000 2.164 359 Q HA 0.229 4.570 4.340 0.001 0.000 0.226 359 Q C -1.151 174.562 176.000 -0.478 0.000 0.813 359 Q CA -0.100 55.530 55.803 -0.288 0.000 0.978 359 Q CB 0.819 29.335 28.738 -0.370 0.000 1.149 359 Q HN 0.671 nan 8.270 nan 0.000 0.489 360 Y N 0.687 120.940 120.300 -0.078 0.000 2.409 360 Y HA 0.279 4.829 4.550 0.001 0.000 0.343 360 Y C 0.429 176.311 175.900 -0.030 0.000 0.973 360 Y CA -1.263 56.808 58.100 -0.049 0.000 1.064 360 Y CB 1.644 40.045 38.460 -0.099 0.000 1.207 360 Y HN -0.084 nan 8.280 nan 0.000 0.452 361 S N 2.448 118.231 115.700 0.139 0.000 2.593 361 S HA 0.187 4.657 4.470 0.001 0.000 0.269 361 S C -2.049 172.608 174.600 0.094 0.000 1.334 361 S CA -0.955 57.297 58.200 0.086 0.000 1.015 361 S CB 1.245 64.489 63.200 0.072 0.000 0.912 361 S HN 0.460 nan 8.310 nan 0.000 0.541 362 P HA -0.161 nan 4.420 nan 0.000 0.216 362 P C 1.972 179.313 177.300 0.067 0.000 1.154 362 P CA 1.381 64.515 63.100 0.057 0.000 0.865 362 P CB -0.149 31.577 31.700 0.042 0.000 0.789 363 Q N -0.348 119.492 119.800 0.068 0.000 2.124 363 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 363 Q C 2.252 178.305 176.000 0.088 0.000 0.977 363 Q CA 1.783 57.627 55.803 0.067 0.000 0.850 363 Q CB -1.261 27.512 28.738 0.058 0.000 0.901 363 Q HN 0.474 nan 8.270 nan 0.000 0.429 364 Q N -0.714 119.161 119.800 0.124 0.000 2.297 364 Q HA 0.101 4.442 4.340 0.001 0.000 0.204 364 Q C 2.101 178.205 176.000 0.174 0.000 0.962 364 Q CA 1.253 57.157 55.803 0.169 0.000 0.879 364 Q CB 0.066 28.979 28.738 0.292 0.000 0.947 364 Q HN 0.477 nan 8.270 nan 0.000 0.462 365 L N -0.212 121.097 121.223 0.143 0.000 2.354 365 L HA 0.202 4.542 4.340 0.001 0.000 0.212 365 L C 0.865 177.804 176.870 0.115 0.000 1.091 365 L CA -0.465 54.459 54.840 0.140 0.000 0.828 365 L CB -0.072 42.023 42.059 0.060 0.000 0.973 365 L HN -0.020 nan 8.230 nan 0.000 0.461 366 A N 0.689 123.560 122.820 0.086 0.000 2.561 366 A HA 0.309 4.629 4.320 0.001 0.000 0.251 366 A C 1.462 179.086 177.584 0.068 0.000 1.062 366 A CA 0.867 52.945 52.037 0.067 0.000 0.761 366 A CB -0.608 18.425 19.000 0.055 0.000 0.986 366 A HN 0.637 nan 8.150 nan 0.000 0.510 367 G N 2.063 110.904 108.800 0.069 0.000 2.179 367 G HA2 -0.245 3.716 3.960 0.001 0.000 0.260 367 G HA3 -0.245 3.716 3.960 0.001 0.000 0.260 367 G C 0.360 175.310 174.900 0.084 0.000 0.977 367 G CA 0.744 45.886 45.100 0.069 0.000 0.641 367 G HN 0.842 nan 8.290 nan 0.000 0.533 368 K N 0.229 120.690 120.400 0.101 0.000 2.154 368 K HA 0.429 4.749 4.320 0.001 0.000 0.264 368 K C 0.556 177.253 176.600 0.160 0.000 1.008 368 K CA -0.669 55.688 56.287 0.117 0.000 0.937 368 K CB 1.061 33.643 32.500 0.136 0.000 1.002 368 K HN 0.258 nan 8.250 nan 0.000 0.469 369 R N 2.700 123.315 120.500 0.192 0.000 2.254 369 R HA 0.258 4.598 4.340 0.001 0.000 0.318 369 R C -0.713 175.759 176.300 0.286 0.000 1.031 369 R CA -0.340 55.924 56.100 0.274 0.000 0.905 369 R CB 0.390 30.925 30.300 0.390 0.000 1.050 369 R HN 0.519 nan 8.270 nan 0.000 0.456 370 I N 4.117 124.808 120.570 0.202 0.000 2.328 370 I HA 0.273 4.444 4.170 0.001 0.000 0.287 370 I C 0.765 176.827 176.117 -0.091 0.000 1.012 370 I CA -0.656 60.692 61.300 0.080 0.000 1.195 370 I CB 1.838 39.843 38.000 0.009 0.000 1.350 370 I HN 0.719 nan 8.210 nan 0.000 0.464 371 G N 5.545 114.094 108.800 -0.419 0.000 2.432 371 G HA2 0.494 4.455 3.960 0.001 0.000 0.257 371 G HA3 0.494 4.455 3.960 0.001 0.000 0.257 371 G C -0.566 173.880 174.900 -0.757 0.000 1.238 371 G CA -0.186 44.360 45.100 -0.923 0.000 0.838 371 G HN 0.374 nan 8.290 nan 0.000 0.547 372 V N 2.928 122.416 119.914 -0.710 0.000 2.419 372 V HA 0.289 4.410 4.120 0.001 0.000 0.287 372 V C -1.097 174.727 176.094 -0.449 0.000 1.017 372 V CA -0.753 61.137 62.300 -0.684 0.000 0.844 372 V CB 1.235 32.440 31.823 -1.031 0.000 1.011 372 V HN 0.667 nan 8.190 nan 0.000 0.429 373 F N 4.304 123.944 119.950 -0.518 0.000 2.361 373 F HA 0.658 5.186 4.527 0.001 0.000 0.364 373 F C 0.399 176.177 175.800 -0.037 0.000 1.120 373 F CA -0.144 57.709 58.000 -0.246 0.000 1.102 373 F CB 1.440 40.285 39.000 -0.257 0.000 1.183 373 F HN 0.436 nan 8.300 nan 0.000 0.476 374 S N 6.656 122.088 115.700 -0.447 0.000 2.449 374 S HA 0.503 4.974 4.470 0.001 0.000 0.310 374 S C -1.557 172.763 174.600 -0.467 0.000 1.096 374 S CA -0.322 57.686 58.200 -0.320 0.000 1.095 374 S CB 0.392 63.548 63.200 -0.074 0.000 1.007 374 S HN 0.634 nan 8.310 nan 0.000 0.474 375 Y N 2.719 122.713 120.300 -0.510 0.000 2.462 375 Y HA 0.673 5.224 4.550 0.001 0.000 0.346 375 Y C -0.139 175.597 175.900 -0.273 0.000 0.976 375 Y CA -0.432 57.408 58.100 -0.432 0.000 1.044 375 Y CB 1.865 40.047 38.460 -0.462 0.000 1.230 375 Y HN 0.773 nan 8.280 nan 0.000 0.455 376 G N 2.927 111.214 108.800 -0.855 0.000 2.687 376 G HA2 0.455 4.415 3.960 0.001 0.000 0.301 376 G HA3 0.455 4.415 3.960 0.001 0.000 0.301 376 G C -1.351 172.981 174.900 -0.948 0.000 1.416 376 G CA -0.822 43.875 45.100 -0.672 0.000 1.005 376 G HN 0.673 nan 8.290 nan 0.000 0.509 377 S N -0.393 115.003 115.700 -0.507 0.000 2.566 377 S HA 0.472 4.942 4.470 0.001 0.000 0.280 377 S C 1.523 176.053 174.600 -0.117 0.000 1.343 377 S CA 1.369 59.476 58.200 -0.154 0.000 1.036 377 S CB 1.117 64.407 63.200 0.150 0.000 0.866 377 S HN 2.037 nan 8.310 nan 0.000 0.526 378 G N -0.009 108.772 108.800 -0.033 0.000 2.352 378 G HA2 -0.153 3.808 3.960 0.001 0.000 0.204 378 G HA3 -0.153 3.808 3.960 0.001 0.000 0.204 378 G C -0.408 174.404 174.900 -0.146 0.000 1.004 378 G CA -0.018 45.035 45.100 -0.079 0.000 0.648 378 G HN 0.983 nan 8.290 nan 0.000 0.491 379 L N -1.963 119.155 121.223 -0.174 0.000 2.376 379 L HA 1.067 5.408 4.340 0.001 0.000 0.258 379 L C -0.329 176.310 176.870 -0.386 0.000 1.013 379 L CA -0.849 53.818 54.840 -0.289 0.000 0.822 379 L CB 2.005 43.951 42.059 -0.189 0.000 1.388 379 L HN 1.285 nan 8.230 nan 0.000 0.413 380 A N 0.931 123.399 122.820 -0.587 0.000 2.398 380 A HA 1.021 5.341 4.320 0.001 0.000 0.301 380 A C -0.810 176.222 177.584 -0.920 0.000 1.041 380 A CA 0.113 51.687 52.037 -0.773 0.000 0.711 380 A CB 1.450 19.865 19.000 -0.974 0.000 1.240 380 A HN 1.662 nan 8.150 nan 0.000 0.420 381 A N 1.280 123.741 122.820 -0.599 0.000 2.572 381 A HA 0.939 5.260 4.320 0.001 0.000 0.295 381 A C -0.584 177.054 177.584 0.090 0.000 1.072 381 A CA -0.509 51.394 52.037 -0.223 0.000 0.691 381 A CB 1.621 20.675 19.000 0.091 0.000 1.291 381 A HN 1.056 nan 8.150 nan 0.000 0.404 382 T N 1.565 116.300 114.554 0.302 0.000 2.971 382 T HA 0.495 4.846 4.350 0.001 0.000 0.304 382 T C -1.154 173.827 174.700 0.469 0.000 1.038 382 T CA -0.251 62.128 62.100 0.465 0.000 1.007 382 T CB 1.230 70.522 68.868 0.706 0.000 1.055 382 T HN 0.662 nan 8.240 nan 0.000 0.451 383 L N 5.136 126.655 121.223 0.492 0.000 2.272 383 L HA 0.725 5.066 4.340 0.001 0.000 0.289 383 L C -1.018 176.103 176.870 0.419 0.000 1.032 383 L CA -0.637 54.427 54.840 0.374 0.000 0.810 383 L CB 0.310 42.523 42.059 0.256 0.000 1.205 383 L HN 0.833 nan 8.230 nan 0.000 0.422 384 Y N 2.330 122.764 120.300 0.223 0.000 2.790 384 Y HA 0.874 5.424 4.550 0.001 0.000 0.323 384 Y C -0.735 175.309 175.900 0.241 0.000 1.230 384 Y CA -0.937 57.368 58.100 0.341 0.000 1.121 384 Y CB 1.398 40.130 38.460 0.452 0.000 1.328 384 Y HN 0.480 nan 8.280 nan 0.000 0.514 385 S N 0.661 116.638 115.700 0.462 0.000 2.588 385 S HA 0.780 5.251 4.470 0.001 0.000 0.275 385 S C -1.643 173.132 174.600 0.290 0.000 1.130 385 S CA -0.938 57.414 58.200 0.253 0.000 0.855 385 S CB 1.763 65.240 63.200 0.462 0.000 1.116 385 S HN 0.789 nan 8.310 nan 0.000 0.472 386 L N 0.917 122.214 121.223 0.123 0.000 2.334 386 L HA 0.701 5.042 4.340 0.001 0.000 0.273 386 L C -0.495 176.439 176.870 0.106 0.000 1.013 386 L CA -0.875 53.995 54.840 0.051 0.000 0.816 386 L CB 1.928 43.938 42.059 -0.081 0.000 1.278 386 L HN 0.640 nan 8.230 nan 0.000 0.431 387 K N 1.172 121.627 120.400 0.091 0.000 2.323 387 K HA 0.500 4.821 4.320 0.001 0.000 0.259 387 K C -1.113 175.529 176.600 0.070 0.000 0.947 387 K CA -0.459 55.895 56.287 0.111 0.000 0.819 387 K CB 1.722 34.301 32.500 0.132 0.000 1.109 387 K HN 0.254 nan 8.250 nan 0.000 0.429 388 V N 3.050 123.010 119.914 0.076 0.000 2.583 388 V HA 0.162 4.283 4.120 0.001 0.000 0.287 388 V C 0.813 176.943 176.094 0.061 0.000 1.051 388 V CA -0.655 61.679 62.300 0.057 0.000 1.010 388 V CB 1.265 33.125 31.823 0.063 0.000 0.988 388 V HN 0.892 nan 8.190 nan 0.000 0.478 389 T N 3.143 117.727 114.554 0.051 0.000 2.906 389 T HA -0.067 4.283 4.350 0.001 0.000 0.329 389 T C 1.047 175.777 174.700 0.051 0.000 1.091 389 T CA 0.167 62.297 62.100 0.051 0.000 1.127 389 T CB 0.449 69.345 68.868 0.046 0.000 1.035 389 T HN 0.777 nan 8.240 nan 0.000 0.547 390 Q N 1.367 121.196 119.800 0.048 0.000 2.435 390 Q HA 0.024 4.364 4.340 0.001 0.000 0.207 390 Q C 0.237 176.261 176.000 0.040 0.000 0.956 390 Q CA 0.389 56.218 55.803 0.044 0.000 0.917 390 Q CB -0.014 28.748 28.738 0.039 0.000 0.997 390 Q HN 0.652 nan 8.270 nan 0.000 0.497 391 D N 0.293 120.717 120.400 0.039 0.000 2.393 391 D HA 0.226 4.867 4.640 0.001 0.000 0.232 391 D C -0.230 176.092 176.300 0.036 0.000 1.192 391 D CA -0.180 53.842 54.000 0.036 0.000 0.882 391 D CB 0.710 41.531 40.800 0.036 0.000 1.038 391 D HN 0.033 nan 8.370 nan 0.000 0.499 392 A N 3.280 126.122 122.820 0.035 0.000 2.500 392 A HA 0.211 4.532 4.320 0.001 0.000 0.267 392 A C 0.921 178.524 177.584 0.031 0.000 1.290 392 A CA -0.315 51.743 52.037 0.036 0.000 0.928 392 A CB -0.369 18.655 19.000 0.041 0.000 1.066 392 A HN 0.517 nan 8.150 nan 0.000 0.516 393 T N -1.555 113.016 114.554 0.029 0.000 2.860 393 T HA 0.434 4.785 4.350 0.001 0.000 0.299 393 T C -2.808 171.907 174.700 0.024 0.000 1.045 393 T CA -1.653 60.463 62.100 0.025 0.000 1.071 393 T CB 0.240 69.122 68.868 0.024 0.000 0.985 393 T HN 0.043 nan 8.240 nan 0.000 0.537 394 P HA 0.245 nan 4.420 nan 0.000 0.262 394 P C 1.137 178.449 177.300 0.020 0.000 1.182 394 P CA 1.153 64.264 63.100 0.019 0.000 0.761 394 P CB 0.042 31.752 31.700 0.017 0.000 0.795 395 G N 1.894 110.706 108.800 0.019 0.000 2.184 395 G HA2 -0.261 3.700 3.960 0.001 0.000 0.264 395 G HA3 -0.261 3.700 3.960 0.001 0.000 0.264 395 G C 0.428 175.342 174.900 0.024 0.000 0.975 395 G CA 0.365 45.478 45.100 0.020 0.000 0.642 395 G HN 0.790 nan 8.290 nan 0.000 0.536 396 S N -0.286 115.429 115.700 0.025 0.000 2.600 396 S HA 0.680 5.150 4.470 0.001 0.000 0.265 396 S C 1.836 176.454 174.600 0.030 0.000 1.325 396 S CA 0.498 58.715 58.200 0.029 0.000 1.002 396 S CB 1.626 64.844 63.200 0.030 0.000 0.921 396 S HN 1.696 nan 8.310 nan 0.000 0.554 397 A N 0.829 123.669 122.820 0.035 0.000 1.978 397 A HA -0.059 4.262 4.320 0.001 0.000 0.220 397 A C 1.996 179.598 177.584 0.029 0.000 1.170 397 A CA 1.554 53.613 52.037 0.036 0.000 0.636 397 A CB -0.925 18.102 19.000 0.046 0.000 0.810 397 A HN 0.882 nan 8.150 nan 0.000 0.448 398 L N 0.054 121.295 121.223 0.030 0.000 2.072 398 L HA -0.107 4.234 4.340 0.001 0.000 0.205 398 L C 1.966 178.850 176.870 0.023 0.000 1.079 398 L CA 2.520 57.376 54.840 0.026 0.000 0.752 398 L CB -0.665 41.413 42.059 0.031 0.000 0.906 398 L HN 0.441 nan 8.230 nan 0.000 0.436 399 D N -0.131 120.284 120.400 0.024 0.000 2.116 399 D HA -0.291 4.350 4.640 0.001 0.000 0.193 399 D C 2.212 178.522 176.300 0.015 0.000 0.998 399 D CA 1.665 55.678 54.000 0.020 0.000 0.836 399 D CB -0.027 40.786 40.800 0.021 0.000 0.951 399 D HN 0.363 nan 8.370 nan 0.000 0.449 400 K N -0.118 120.292 120.400 0.016 0.000 2.032 400 K HA -0.131 4.189 4.320 0.001 0.000 0.209 400 K C 2.503 179.107 176.600 0.007 0.000 1.048 400 K CA 1.145 57.439 56.287 0.012 0.000 0.927 400 K CB -0.333 32.176 32.500 0.016 0.000 0.712 400 K HN 0.242 nan 8.250 nan 0.000 0.441 401 I N 0.867 121.442 120.570 0.008 0.000 2.353 401 I HA -0.221 3.949 4.170 0.001 0.000 0.248 401 I C 2.084 178.202 176.117 0.001 0.000 1.119 401 I CA 1.558 62.859 61.300 0.003 0.000 1.417 401 I CB -0.120 37.882 38.000 0.004 0.000 1.078 401 I HN 0.396 nan 8.210 nan 0.000 0.421 402 T N -0.955 113.601 114.554 0.004 0.000 2.777 402 T HA -0.040 4.310 4.350 0.001 0.000 0.266 402 T C 1.982 176.681 174.700 -0.001 0.000 1.040 402 T CA 0.863 62.964 62.100 0.002 0.000 1.141 402 T CB -0.679 68.195 68.868 0.010 0.000 0.868 402 T HN 0.334 nan 8.240 nan 0.000 0.444 403 A N 2.224 125.044 122.820 0.001 0.000 2.019 403 A HA -0.026 4.294 4.320 0.001 0.000 0.219 403 A C 2.652 180.232 177.584 -0.006 0.000 1.164 403 A CA 2.028 54.063 52.037 -0.002 0.000 0.644 403 A CB -1.086 17.914 19.000 0.001 0.000 0.805 403 A HN 0.778 nan 8.150 nan 0.000 0.449 404 S N -1.252 114.445 115.700 -0.006 0.000 2.555 404 S HA 0.156 4.627 4.470 0.001 0.000 0.230 404 S C 1.142 175.736 174.600 -0.010 0.000 0.978 404 S CA 1.119 59.313 58.200 -0.010 0.000 0.934 404 S CB -0.230 62.964 63.200 -0.011 0.000 0.766 404 S HN 0.435 nan 8.310 nan 0.000 0.533 405 L N 0.654 121.874 121.223 -0.006 0.000 3.217 405 L HA 0.260 4.601 4.340 0.001 0.000 0.288 405 L C 1.955 178.820 176.870 -0.008 0.000 1.202 405 L CA 0.030 54.869 54.840 -0.002 0.000 1.027 405 L CB 0.378 42.439 42.059 0.004 0.000 1.427 405 L HN 0.564 nan 8.230 nan 0.000 0.600 406 C N -1.324 117.968 119.300 -0.014 0.000 2.456 406 C HA -0.023 4.438 4.460 0.001 0.000 0.279 406 C C 1.896 176.873 174.990 -0.021 0.000 1.427 406 C CA 0.450 59.455 59.018 -0.021 0.000 1.778 406 C CB -0.957 26.770 27.740 -0.021 0.000 1.842 406 C HN 0.614 nan 8.230 nan 0.000 0.531 407 D N 0.947 121.338 120.400 -0.015 0.000 2.319 407 D HA -0.045 4.596 4.640 0.001 0.000 0.230 407 D C 1.610 177.911 176.300 0.002 0.000 1.094 407 D CA -0.046 53.947 54.000 -0.012 0.000 0.856 407 D CB -0.532 40.258 40.800 -0.017 0.000 0.915 407 D HN 0.448 nan 8.370 nan 0.000 0.517 408 L N 0.961 122.190 121.223 0.009 0.000 2.042 408 L HA -0.158 4.182 4.340 0.001 0.000 0.210 408 L C 2.269 179.155 176.870 0.027 0.000 1.076 408 L CA 1.839 56.706 54.840 0.045 0.000 0.749 408 L CB -0.639 41.441 42.059 0.035 0.000 0.893 408 L HN -0.021 nan 8.230 nan 0.000 0.432 409 K N -0.988 119.402 120.400 -0.015 0.000 2.057 409 K HA -0.158 4.163 4.320 0.001 0.000 0.206 409 K C 2.263 178.854 176.600 -0.015 0.000 1.050 409 K CA 1.477 57.742 56.287 -0.037 0.000 0.935 409 K CB -0.227 32.242 32.500 -0.051 0.000 0.715 409 K HN 0.566 nan 8.250 nan 0.000 0.439 410 S N 0.235 115.935 115.700 0.000 0.000 2.383 410 S HA -0.125 4.346 4.470 0.001 0.000 0.227 410 S C 1.966 176.592 174.600 0.044 0.000 1.026 410 S CA 0.668 58.877 58.200 0.015 0.000 0.981 410 S CB -0.289 62.915 63.200 0.008 0.000 0.818 410 S HN 0.330 nan 8.310 nan 0.000 0.472 411 R N 0.797 121.330 120.500 0.054 0.000 2.073 411 R HA 0.082 4.422 4.340 0.001 0.000 0.234 411 R C 2.432 178.873 176.300 0.234 0.000 1.134 411 R CA 1.722 57.876 56.100 0.091 0.000 0.952 411 R CB -0.766 29.584 30.300 0.084 0.000 0.850 411 R HN 0.409 nan 8.270 nan 0.000 0.433 412 L N 0.692 122.000 121.223 0.141 0.000 2.042 412 L HA -0.223 4.117 4.340 0.001 0.000 0.210 412 L C 1.654 178.538 176.870 0.023 0.000 1.076 412 L CA 1.216 56.027 54.840 -0.049 0.000 0.749 412 L CB -0.411 41.491 42.059 -0.262 0.000 0.893 412 L HN 0.153 nan 8.230 nan 0.000 0.432 413 D N -0.812 119.605 120.400 0.027 0.000 2.264 413 D HA -0.118 4.522 4.640 0.001 0.000 0.208 413 D C 2.313 178.689 176.300 0.126 0.000 0.966 413 D CA 1.328 55.356 54.000 0.047 0.000 0.864 413 D CB -0.038 40.774 40.800 0.021 0.000 0.933 413 D HN 0.334 nan 8.370 nan 0.000 0.499 414 S N -0.214 115.590 115.700 0.174 0.000 2.515 414 S HA -0.014 4.457 4.470 0.001 0.000 0.231 414 S C 1.049 175.822 174.600 0.288 0.000 0.987 414 S CA -0.185 58.148 58.200 0.222 0.000 0.936 414 S CB 0.093 63.440 63.200 0.245 0.000 0.766 414 S HN 0.075 nan 8.310 nan 0.000 0.528 415 R N 1.097 121.802 120.500 0.342 0.000 2.707 415 R HA 0.365 4.706 4.340 0.001 0.000 0.270 415 R C -0.357 176.062 176.300 0.198 0.000 1.083 415 R CA 0.178 56.456 56.100 0.296 0.000 1.182 415 R CB 0.150 30.699 30.300 0.415 0.000 1.084 415 R HN 0.139 nan 8.270 nan 0.000 0.528 416 T N 0.475 115.019 114.554 -0.017 0.000 2.767 416 T HA 0.297 4.647 4.350 0.001 0.000 0.284 416 T C 0.234 174.602 174.700 -0.553 0.000 0.973 416 T CA -0.756 61.247 62.100 -0.162 0.000 0.996 416 T CB 1.667 70.445 68.868 -0.150 0.000 0.927 416 T HN 0.687 nan 8.240 nan 0.000 0.456 417 G N 1.789 110.187 108.800 -0.670 0.000 2.406 417 G HA2 0.483 4.443 3.960 0.001 0.000 0.251 417 G HA3 0.483 4.443 3.960 0.001 0.000 0.251 417 G C -0.545 174.125 174.900 -0.384 0.000 1.271 417 G CA -0.287 44.248 45.100 -0.941 0.000 0.859 417 G HN 0.646 nan 8.290 nan 0.000 0.540 418 V N 1.848 121.615 119.914 -0.245 0.000 2.555 418 V HA 0.645 4.765 4.120 0.001 0.000 0.302 418 V C 0.796 176.888 176.094 -0.002 0.000 1.038 418 V CA -0.848 61.440 62.300 -0.020 0.000 0.887 418 V CB 1.505 33.456 31.823 0.213 0.000 0.991 418 V HN 1.119 nan 8.190 nan 0.000 0.434 419 A N 5.917 128.735 122.820 -0.003 0.000 2.483 419 A HA 0.389 4.710 4.320 0.001 0.000 0.238 419 A C -1.346 176.202 177.584 -0.059 0.000 1.070 419 A CA -0.665 51.361 52.037 -0.018 0.000 0.770 419 A CB -0.170 18.829 19.000 -0.001 0.000 1.008 419 A HN 0.731 nan 8.150 nan 0.000 0.497 420 P HA -0.231 nan 4.420 nan 0.000 0.216 420 P C 0.969 177.930 177.300 -0.565 0.000 1.154 420 P CA 1.802 64.703 63.100 -0.331 0.000 0.865 420 P CB -0.013 31.464 31.700 -0.371 0.000 0.789 421 D N -0.676 119.477 120.400 -0.412 0.000 2.117 421 D HA -0.114 4.527 4.640 0.001 0.000 0.197 421 D C 1.797 178.020 176.300 -0.128 0.000 0.987 421 D CA 1.200 55.070 54.000 -0.216 0.000 0.829 421 D CB -1.199 39.656 40.800 0.091 0.000 0.961 421 D HN 0.055 nan 8.370 nan 0.000 0.460 422 V N 0.640 120.508 119.914 -0.076 0.000 2.295 422 V HA -0.205 3.916 4.120 0.001 0.000 0.246 422 V C 2.430 178.468 176.094 -0.094 0.000 1.049 422 V CA 1.674 63.950 62.300 -0.040 0.000 1.024 422 V CB -1.005 30.828 31.823 0.018 0.000 0.648 422 V HN 0.107 nan 8.190 nan 0.000 0.447 423 F N 1.961 121.723 119.950 -0.313 0.000 2.091 423 F HA -0.236 4.292 4.527 0.001 0.000 0.299 423 F C 2.300 177.843 175.800 -0.429 0.000 1.103 423 F CA 1.719 59.371 58.000 -0.579 0.000 1.228 423 F CB -0.708 37.898 39.000 -0.656 0.000 0.984 423 F HN 0.065 nan 8.300 nan 0.000 0.477 424 A N -0.264 122.265 122.820 -0.486 0.000 1.908 424 A HA -0.253 4.068 4.320 0.001 0.000 0.218 424 A C 2.091 179.478 177.584 -0.328 0.000 1.181 424 A CA 1.998 53.766 52.037 -0.448 0.000 0.627 424 A CB -0.971 17.915 19.000 -0.191 0.000 0.818 424 A HN 0.521 nan 8.150 nan 0.000 0.445 425 E N 0.482 120.550 120.200 -0.221 0.000 2.107 425 E HA -0.159 4.192 4.350 0.001 0.000 0.191 425 E C 1.960 178.471 176.600 -0.149 0.000 0.982 425 E CA 1.173 57.494 56.400 -0.132 0.000 0.809 425 E CB -0.386 29.273 29.700 -0.068 0.000 0.756 425 E HN 0.620 nan 8.360 nan 0.000 0.459 426 N N 0.205 118.788 118.700 -0.196 0.000 2.036 426 N HA -0.207 4.534 4.740 0.001 0.000 0.195 426 N C 1.651 177.038 175.510 -0.206 0.000 1.037 426 N CA 1.954 54.906 53.050 -0.162 0.000 0.855 426 N CB -0.155 38.240 38.487 -0.153 0.000 1.033 426 N HN 0.207 nan 8.380 nan 0.000 0.423 427 M N 0.720 120.086 119.600 -0.389 0.000 2.117 427 M HA -0.136 4.345 4.480 0.001 0.000 0.262 427 M C 2.185 178.403 176.300 -0.137 0.000 1.065 427 M CA 1.311 56.432 55.300 -0.299 0.000 1.114 427 M CB -1.002 31.316 32.600 -0.471 0.000 1.361 427 M HN 0.126 nan 8.290 nan 0.000 0.408 428 K N 1.016 121.337 120.400 -0.132 0.000 2.026 428 K HA -0.060 4.261 4.320 0.001 0.000 0.208 428 K C 1.869 178.434 176.600 -0.058 0.000 1.048 428 K CA 1.313 57.561 56.287 -0.064 0.000 0.929 428 K CB -0.473 31.994 32.500 -0.054 0.000 0.713 428 K HN 0.312 nan 8.250 nan 0.000 0.439 429 L N 0.093 121.276 121.223 -0.067 0.000 2.141 429 L HA -0.070 4.270 4.340 0.001 0.000 0.209 429 L C 2.751 179.583 176.870 -0.064 0.000 1.094 429 L CA 1.188 55.994 54.840 -0.057 0.000 0.763 429 L CB -0.435 41.598 42.059 -0.044 0.000 0.908 429 L HN 0.275 nan 8.230 nan 0.000 0.437 430 R N 0.771 121.235 120.500 -0.060 0.000 2.080 430 R HA -0.208 4.133 4.340 0.001 0.000 0.236 430 R C 2.119 178.366 176.300 -0.087 0.000 1.137 430 R CA 1.846 57.914 56.100 -0.052 0.000 0.943 430 R CB -0.122 30.155 30.300 -0.037 0.000 0.846 430 R HN 0.365 nan 8.270 nan 0.000 0.431 431 E N 0.086 120.215 120.200 -0.118 0.000 2.086 431 E HA -0.232 4.119 4.350 0.001 0.000 0.200 431 E C 1.654 178.202 176.600 -0.088 0.000 1.012 431 E CA 1.876 58.177 56.400 -0.165 0.000 0.812 431 E CB -0.108 29.532 29.700 -0.101 0.000 0.743 431 E HN 0.456 nan 8.360 nan 0.000 0.453 432 D N -0.462 119.901 120.400 -0.062 0.000 2.183 432 D HA -0.071 4.569 4.640 0.001 0.000 0.203 432 D C 1.615 177.870 176.300 -0.075 0.000 0.969 432 D CA 1.037 55.010 54.000 -0.045 0.000 0.842 432 D CB -0.281 40.492 40.800 -0.045 0.000 0.957 432 D HN 0.071 nan 8.370 nan 0.000 0.484 433 T N -0.437 114.042 114.554 -0.125 0.000 3.129 433 T HA -0.057 4.294 4.350 0.001 0.000 0.251 433 T C 1.421 175.999 174.700 -0.203 0.000 1.117 433 T CA 0.087 62.037 62.100 -0.250 0.000 1.034 433 T CB 0.025 68.688 68.868 -0.341 0.000 0.968 433 T HN 0.216 nan 8.240 nan 0.000 0.526 434 H N 1.643 120.564 119.070 -0.247 0.000 2.352 434 H HA -0.086 4.471 4.556 0.001 0.000 0.299 434 H C 1.730 176.854 175.328 -0.340 0.000 1.097 434 H CA 1.717 57.568 56.048 -0.329 0.000 1.311 434 H CB 0.023 29.494 29.762 -0.485 0.000 1.377 434 H HN 0.401 nan 8.280 nan 0.000 0.504 435 H N -1.094 117.911 119.070 -0.108 0.000 2.586 435 H HA 0.126 4.682 4.556 0.001 0.000 0.273 435 H C 0.178 175.467 175.328 -0.065 0.000 0.997 435 H CA -0.274 55.711 56.048 -0.105 0.000 1.177 435 H CB 0.138 29.881 29.762 -0.030 0.000 1.471 435 H HN 0.197 nan 8.280 nan 0.000 0.538 436 L N 2.478 123.676 121.223 -0.043 0.000 2.416 436 L HA 0.059 4.400 4.340 0.001 0.000 0.272 436 L C 0.451 177.328 176.870 0.011 0.000 1.161 436 L CA 0.042 54.831 54.840 -0.085 0.000 0.845 436 L CB 0.738 42.609 42.059 -0.314 0.000 1.119 436 L HN -0.031 nan 8.230 nan 0.000 0.464 437 V N 1.370 121.270 119.914 -0.024 0.000 3.103 437 V HA 0.614 4.734 4.120 0.001 0.000 0.318 437 V C 0.293 176.418 176.094 0.052 0.000 1.114 437 V CA -0.912 61.345 62.300 -0.072 0.000 1.020 437 V CB 1.530 33.108 31.823 -0.407 0.000 1.085 437 V HN 0.831 nan 8.190 nan 0.000 0.446 438 N N 0.768 119.470 118.700 0.005 0.000 2.727 438 N HA -0.204 4.536 4.740 0.001 0.000 0.251 438 N C -0.901 174.669 175.510 0.099 0.000 1.040 438 N CA 1.454 54.511 53.050 0.013 0.000 0.712 438 N CB -1.479 37.008 38.487 -0.000 0.000 0.912 438 N HN 1.381 nan 8.380 nan 0.000 0.545 439 Y N -1.372 118.894 120.300 -0.057 0.000 2.576 439 Y HA 0.817 5.368 4.550 0.001 0.000 0.346 439 Y C -0.570 175.311 175.900 -0.031 0.000 1.018 439 Y CA -1.496 56.581 58.100 -0.037 0.000 1.050 439 Y CB 1.235 39.676 38.460 -0.031 0.000 1.280 439 Y HN 0.032 nan 8.280 nan 0.000 0.474 440 I N 4.161 124.709 120.570 -0.036 0.000 2.411 440 I HA 0.411 4.582 4.170 0.001 0.000 0.284 440 I C -2.479 173.659 176.117 0.036 0.000 1.012 440 I CA -2.183 59.061 61.300 -0.094 0.000 1.119 440 I CB 1.756 39.737 38.000 -0.032 0.000 1.261 440 I HN 0.467 nan 8.210 nan 0.000 0.448 441 P HA 0.000 nan 4.420 nan 0.000 0.266 441 P C -0.182 177.163 177.300 0.075 0.000 1.186 441 P CA 0.225 63.394 63.100 0.116 0.000 0.767 441 P CB 0.529 32.280 31.700 0.084 0.000 0.820 442 Q N 0.725 120.573 119.800 0.080 0.000 2.281 442 Q HA 0.164 4.504 4.340 0.001 0.000 0.215 442 Q C 1.173 177.184 176.000 0.018 0.000 0.867 442 Q CA -0.207 55.620 55.803 0.040 0.000 0.940 442 Q CB 0.426 29.190 28.738 0.043 0.000 1.111 442 Q HN 0.613 nan 8.270 nan 0.000 0.513 443 G N 1.007 109.823 108.800 0.027 0.000 2.630 443 G HA2 0.032 3.993 3.960 0.001 0.000 0.236 443 G HA3 0.032 3.993 3.960 0.001 0.000 0.236 443 G C -0.285 174.588 174.900 -0.045 0.000 1.248 443 G CA -0.303 44.801 45.100 0.006 0.000 0.844 443 G HN 0.116 nan 8.290 nan 0.000 0.588 444 S N -0.060 115.605 115.700 -0.059 0.000 2.533 444 S HA 0.111 4.581 4.470 0.001 0.000 0.282 444 S C 1.580 176.083 174.600 -0.161 0.000 1.304 444 S CA -0.661 57.480 58.200 -0.097 0.000 1.063 444 S CB 0.207 63.357 63.200 -0.083 0.000 0.881 444 S HN 0.375 nan 8.310 nan 0.000 0.493 445 I N 3.296 123.728 120.570 -0.229 0.000 2.400 445 I HA -0.019 4.151 4.170 0.001 0.000 0.248 445 I C 1.607 177.594 176.117 -0.216 0.000 1.109 445 I CA 0.528 61.613 61.300 -0.359 0.000 1.425 445 I CB -0.243 37.445 38.000 -0.520 0.000 1.094 445 I HN 0.530 nan 8.210 nan 0.000 0.425 446 D N 0.687 120.997 120.400 -0.150 0.000 2.218 446 D HA -0.153 4.488 4.640 0.001 0.000 0.204 446 D C 2.314 178.558 176.300 -0.094 0.000 0.976 446 D CA 1.648 55.587 54.000 -0.100 0.000 0.853 446 D CB -0.184 40.571 40.800 -0.075 0.000 0.939 446 D HN 0.333 nan 8.370 nan 0.000 0.481 447 S N -0.318 115.314 115.700 -0.114 0.000 2.522 447 S HA -0.005 4.466 4.470 0.001 0.000 0.227 447 S C 1.032 175.518 174.600 -0.189 0.000 0.986 447 S CA -0.173 57.945 58.200 -0.138 0.000 0.929 447 S CB -0.419 62.700 63.200 -0.136 0.000 0.769 447 S HN 0.126 nan 8.310 nan 0.000 0.529 448 L N 1.804 122.943 121.223 -0.140 0.000 2.461 448 L HA 0.277 4.618 4.340 0.001 0.000 0.272 448 L C 0.291 177.130 176.870 -0.052 0.000 1.197 448 L CA -0.788 53.991 54.840 -0.102 0.000 0.836 448 L CB -0.024 42.031 42.059 -0.006 0.000 1.105 448 L HN 0.145 nan 8.230 nan 0.000 0.477 449 F N 0.788 120.786 119.950 0.078 0.000 2.545 449 F HA -0.002 4.526 4.527 0.001 0.000 0.348 449 F C 1.075 176.900 175.800 0.042 0.000 1.163 449 F CA -0.279 57.760 58.000 0.064 0.000 1.331 449 F CB -0.023 39.035 39.000 0.097 0.000 1.138 449 F HN 0.472 nan 8.300 nan 0.000 0.602 450 E N 1.149 121.497 120.200 0.246 0.000 2.529 450 E HA 0.219 4.570 4.350 0.001 0.000 0.259 450 E C 1.060 177.705 176.600 0.074 0.000 0.966 450 E CA 0.916 57.381 56.400 0.108 0.000 0.937 450 E CB 0.022 29.765 29.700 0.072 0.000 0.923 450 E HN 0.867 nan 8.360 nan 0.000 0.468 451 G N 3.327 112.132 108.800 0.007 0.000 2.143 451 G HA2 -0.251 3.710 3.960 0.001 0.000 0.249 451 G HA3 -0.251 3.710 3.960 0.001 0.000 0.249 451 G C 0.185 175.039 174.900 -0.077 0.000 0.981 451 G CA 0.321 45.391 45.100 -0.051 0.000 0.665 451 G HN 0.608 nan 8.290 nan 0.000 0.528 452 T N 0.680 115.223 114.554 -0.019 0.000 2.780 452 T HA 0.416 4.767 4.350 0.001 0.000 0.294 452 T C 0.254 174.952 174.700 -0.003 0.000 0.949 452 T CA -0.114 61.980 62.100 -0.009 0.000 1.074 452 T CB 0.652 69.583 68.868 0.106 0.000 0.910 452 T HN 0.294 nan 8.240 nan 0.000 0.501 453 W N 3.825 125.102 121.300 -0.038 0.000 2.190 453 W HA 0.451 5.111 4.660 0.001 0.000 0.330 453 W C 0.042 176.629 176.519 0.114 0.000 1.299 453 W CA -0.259 57.075 57.345 -0.019 0.000 1.215 453 W CB 0.330 29.726 29.460 -0.107 0.000 1.147 453 W HN 0.684 nan 8.180 nan 0.000 0.563 454 Y N 0.952 121.456 120.300 0.340 0.000 2.588 454 Y HA 0.644 5.194 4.550 0.001 0.000 0.343 454 Y C -1.245 174.848 175.900 0.320 0.000 1.065 454 Y CA -2.269 55.991 58.100 0.267 0.000 1.038 454 Y CB 0.318 38.848 38.460 0.117 0.000 1.297 454 Y HN 0.225 nan 8.280 nan 0.000 0.467 455 L N 2.706 124.142 121.223 0.356 0.000 2.361 455 L HA 0.306 4.647 4.340 0.001 0.000 0.278 455 L C 0.070 176.967 176.870 0.045 0.000 1.113 455 L CA 0.184 55.028 54.840 0.006 0.000 0.849 455 L CB 0.991 43.058 42.059 0.014 0.000 1.155 455 L HN 0.881 nan 8.230 nan 0.000 0.452 456 V N 4.878 124.699 119.914 -0.156 0.000 2.426 456 V HA 0.214 4.335 4.120 0.001 0.000 0.242 456 V C 0.911 176.924 176.094 -0.135 0.000 1.036 456 V CA 0.925 63.191 62.300 -0.056 0.000 1.044 456 V CB -0.331 31.425 31.823 -0.111 0.000 0.688 456 V HN 0.893 nan 8.190 nan 0.000 0.462 457 R N -1.210 119.135 120.500 -0.259 0.000 2.664 457 R HA 0.472 4.812 4.340 0.001 0.000 0.260 457 R C -2.334 173.746 176.300 -0.367 0.000 1.062 457 R CA -0.460 55.460 56.100 -0.300 0.000 0.902 457 R CB 2.097 32.284 30.300 -0.188 0.000 1.258 457 R HN -0.061 nan 8.270 nan 0.000 0.465 458 V N 4.131 123.773 119.914 -0.454 0.000 2.357 458 V HA 0.240 4.361 4.120 0.001 0.000 0.284 458 V C -0.168 175.811 176.094 -0.191 0.000 1.018 458 V CA -0.650 61.464 62.300 -0.310 0.000 0.841 458 V CB 1.137 32.768 31.823 -0.320 0.000 0.991 458 V HN 0.884 nan 8.190 nan 0.000 0.437 459 D N 4.171 124.500 120.400 -0.119 0.000 2.447 459 D HA 0.072 4.713 4.640 0.001 0.000 0.265 459 D C 1.275 177.533 176.300 -0.071 0.000 1.250 459 D CA -0.428 53.524 54.000 -0.080 0.000 1.046 459 D CB 0.585 41.353 40.800 -0.054 0.000 1.095 459 D HN 0.484 nan 8.370 nan 0.000 0.555 460 E N 0.069 120.241 120.200 -0.046 0.000 2.333 460 E HA -0.231 4.120 4.350 0.001 0.000 0.198 460 E C 0.494 177.084 176.600 -0.018 0.000 1.007 460 E CA 1.112 57.487 56.400 -0.041 0.000 0.845 460 E CB -0.402 29.288 29.700 -0.017 0.000 0.766 460 E HN 0.571 nan 8.360 nan 0.000 0.507 461 K N -0.146 120.267 120.400 0.022 0.000 2.498 461 K HA 0.132 4.453 4.320 0.001 0.000 0.207 461 K C -0.656 176.073 176.600 0.215 0.000 1.033 461 K CA -0.121 56.233 56.287 0.111 0.000 1.138 461 K CB -0.039 32.502 32.500 0.068 0.000 0.860 461 K HN 0.119 nan 8.250 nan 0.000 0.490 462 H N -0.605 118.470 119.070 0.008 0.000 3.047 462 H HA -0.184 4.372 4.556 0.001 0.000 0.263 462 H C -0.578 174.749 175.328 -0.003 0.000 1.168 462 H CA 0.737 56.792 56.048 0.011 0.000 1.152 462 H CB -1.278 28.495 29.762 0.018 0.000 1.278 462 H HN 0.198 nan 8.280 nan 0.000 0.339 463 R N 1.332 121.877 120.500 0.075 0.000 2.308 463 R HA 0.471 4.812 4.340 0.001 0.000 0.305 463 R C 0.172 176.453 176.300 -0.032 0.000 1.053 463 R CA -0.490 55.630 56.100 0.033 0.000 0.957 463 R CB 1.151 31.462 30.300 0.019 0.000 1.022 463 R HN 0.160 nan 8.270 nan 0.000 0.461 464 R N 1.185 121.663 120.500 -0.036 0.000 2.407 464 R HA 0.296 4.637 4.340 0.001 0.000 0.303 464 R C -0.321 175.825 176.300 -0.256 0.000 0.981 464 R CA -0.532 55.459 56.100 -0.181 0.000 0.905 464 R CB 1.843 32.071 30.300 -0.120 0.000 1.099 464 R HN 0.643 nan 8.270 nan 0.000 0.459 465 T N -0.552 113.730 114.554 -0.453 0.000 2.887 465 T HA 0.574 4.925 4.350 0.001 0.000 0.288 465 T C -0.828 173.490 174.700 -0.635 0.000 1.021 465 T CA -0.777 61.121 62.100 -0.337 0.000 1.000 465 T CB 1.081 69.852 68.868 -0.162 0.000 1.034 465 T HN 0.382 nan 8.240 nan 0.000 0.467 466 Y N -0.010 120.277 120.300 -0.021 0.000 2.545 466 Y HA 0.769 5.320 4.550 0.001 0.000 0.348 466 Y C 0.177 176.095 175.900 0.030 0.000 1.002 466 Y CA -1.031 57.069 58.100 0.001 0.000 1.039 466 Y CB 2.379 40.880 38.460 0.067 0.000 1.271 466 Y HN 1.166 nan 8.280 nan 0.000 0.467 467 A N 1.924 124.652 122.820 -0.153 0.000 2.566 467 A HA 0.844 5.164 4.320 0.001 0.000 0.292 467 A C -1.575 175.476 177.584 -0.889 0.000 1.112 467 A CA -1.030 50.744 52.037 -0.439 0.000 0.707 467 A CB 2.072 20.771 19.000 -0.502 0.000 1.302 467 A HN 0.751 nan 8.150 nan 0.000 0.409 468 R N 1.037 120.936 120.500 -1.001 0.000 2.445 468 R HA 0.395 4.735 4.340 0.001 0.000 0.308 468 R C -0.395 175.720 176.300 -0.308 0.000 0.961 468 R CA -0.705 54.771 56.100 -1.039 0.000 0.862 468 R CB 0.995 30.306 30.300 -1.648 0.000 1.144 468 R HN 0.765 nan 8.270 nan 0.000 0.447 469 R N 6.315 126.792 120.500 -0.039 0.000 2.316 469 R HA 0.189 4.529 4.340 0.001 0.000 0.314 469 R C -2.144 174.119 176.300 -0.062 0.000 1.069 469 R CA -1.319 54.806 56.100 0.041 0.000 0.959 469 R CB 0.773 31.105 30.300 0.054 0.000 0.987 469 R HN 0.533 nan 8.270 nan 0.000 0.446 470 P HA 0.000 nan 4.420 nan 0.000 0.216 470 P CA 0.000 63.065 63.100 -0.059 0.000 0.800 470 P CB 0.000 31.674 31.700 -0.043 0.000 0.726