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 2vd6_1_A DATA FIRST_RESID 5 DATA SEQUENCE GDHGSPDSYR SPLASRYASP EMCFVFSDRY KFRTWRQLWL WLAEAEQTLG DATA SEQUENCE LPITDEQIQE MKSNLENIDF KMAAEEEKRL RHDVMAHVHT FGHCCPKAAG DATA SEQUENCE IIHLGATSCY VGDNTDLIIL RNALDLLLPK LARVISRLAD FAKERASLPT DATA SEQUENCE LGFTHFQPAQ LTTVGKRCCL WIQDLCMDLQ NLKRVRDDLR FRGVKGTTGT DATA SEQUENCE QASFLQLFEG DDHKVEQLDK MVTEKAGFKR AFIITGQTYT RKVDIEVLSV DATA SEQUENCE LASLGASVHK ICTDIRLLAN LKEMEEPFEX XXXXXXXXPY KRNPMRSERC DATA SEQUENCE CSLARHLMTL VMDPLQTASV QWFERTLDDS ANRRICLAEA FLTADTILNT DATA SEQUENCE LQNISEGLVV YPKVIERRIR QELPFMATEN IIMAMVKAGG SRQDCHEKIR DATA SEQUENCE VLSQQAASVV KQEGGDNDLI ERIQVDAYFS PIHSQLDHLL DPSSFTGRAS DATA SEQUENCE QQVQRFLEEE VYPLLKPYES 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 5 G C 0.000 174.861 174.900 -0.066 0.000 0.946 5 G CA 0.000 45.078 45.100 -0.037 0.000 0.502 6 D N -1.749 118.585 120.400 -0.110 0.000 2.379 6 D HA 0.063 4.704 4.640 0.002 0.000 0.218 6 D C 0.821 176.943 176.300 -0.297 0.000 1.006 6 D CA 0.837 54.714 54.000 -0.205 0.000 0.893 6 D CB -0.129 40.517 40.800 -0.258 0.000 1.019 6 D HN 0.332 nan 8.370 nan 0.000 0.503 7 H N 0.424 119.467 119.070 -0.045 0.000 2.549 7 H HA 0.454 5.011 4.556 0.002 0.000 0.279 7 H C 1.112 176.401 175.328 -0.065 0.000 1.018 7 H CA 0.739 56.752 56.048 -0.059 0.000 1.175 7 H CB 0.745 30.463 29.762 -0.074 0.000 1.485 7 H HN 0.404 nan 8.280 nan 0.000 0.543 8 G N 0.830 109.643 108.800 0.022 0.000 2.661 8 G HA2 -0.209 3.752 3.960 0.002 0.000 0.685 8 G HA3 -0.209 3.752 3.960 0.002 0.000 0.685 8 G C -0.085 174.814 174.900 -0.001 0.000 1.298 8 G CA -0.325 44.775 45.100 0.001 0.000 0.855 8 G HN 0.423 nan 8.290 nan 0.000 0.560 9 S N 0.401 116.098 115.700 -0.005 0.000 2.592 9 S HA 0.657 5.128 4.470 0.002 0.000 0.271 9 S C -0.666 173.930 174.600 -0.007 0.000 1.326 9 S CA -0.175 58.022 58.200 -0.005 0.000 1.024 9 S CB 1.920 65.119 63.200 -0.002 0.000 0.921 9 S HN 0.745 nan 8.310 nan 0.000 0.527 10 P HA 0.074 nan 4.420 nan 0.000 0.239 10 P C -0.108 177.192 177.300 0.001 0.000 1.184 10 P CA 0.621 63.715 63.100 -0.010 0.000 0.760 10 P CB -0.196 31.498 31.700 -0.010 0.000 0.884 11 D N -1.092 119.311 120.400 0.005 0.000 2.355 11 D HA 0.019 4.660 4.640 0.002 0.000 0.218 11 D C 0.725 177.041 176.300 0.025 0.000 1.004 11 D CA 0.634 54.642 54.000 0.014 0.000 0.880 11 D CB 0.210 41.016 40.800 0.011 0.000 0.911 11 D HN 0.088 nan 8.370 nan 0.000 0.528 12 S N -1.238 114.478 115.700 0.028 0.000 2.634 12 S HA 0.322 4.793 4.470 0.002 0.000 0.296 12 S C -1.155 173.488 174.600 0.073 0.000 1.104 12 S CA -0.895 57.339 58.200 0.056 0.000 0.920 12 S CB 0.500 63.731 63.200 0.051 0.000 1.111 12 S HN 0.119 nan 8.310 nan 0.000 0.493 13 Y N 2.924 123.220 120.300 -0.007 0.000 2.620 13 Y HA 0.371 4.922 4.550 0.002 0.000 0.330 13 Y C 0.085 175.978 175.900 -0.012 0.000 1.186 13 Y CA 0.570 58.663 58.100 -0.012 0.000 1.467 13 Y CB 0.354 38.807 38.460 -0.011 0.000 1.262 13 Y HN 0.556 nan 8.280 nan 0.000 0.550 14 R N 4.241 124.292 120.500 -0.748 0.000 2.561 14 R HA 0.303 4.644 4.340 0.002 0.000 0.297 14 R C -0.736 174.999 176.300 -0.942 0.000 0.969 14 R CA -1.046 54.658 56.100 -0.659 0.000 0.879 14 R CB 1.863 31.979 30.300 -0.307 0.000 1.178 14 R HN 0.693 nan 8.270 nan 0.000 0.445 15 S N 3.351 118.629 115.700 -0.704 0.000 2.525 15 S HA 0.081 4.552 4.470 0.002 0.000 0.285 15 S C -1.192 173.236 174.600 -0.287 0.000 1.283 15 S CA -1.302 56.649 58.200 -0.415 0.000 1.072 15 S CB 0.605 63.716 63.200 -0.148 0.000 0.867 15 S HN 0.453 nan 8.310 nan 0.000 0.492 16 P HA -0.072 nan 4.420 nan 0.000 0.223 16 P C 1.461 178.692 177.300 -0.113 0.000 1.151 16 P CA 0.821 63.809 63.100 -0.188 0.000 0.787 16 P CB 0.013 31.677 31.700 -0.060 0.000 0.788 17 L N -0.675 120.571 121.223 0.039 0.000 2.079 17 L HA -0.173 4.168 4.340 0.002 0.000 0.210 17 L C 2.643 179.491 176.870 -0.036 0.000 1.081 17 L CA 1.809 56.701 54.840 0.086 0.000 0.752 17 L CB -0.992 41.097 42.059 0.051 0.000 0.896 17 L HN -0.004 nan 8.230 nan 0.000 0.433 18 A N -0.405 122.326 122.820 -0.150 0.000 1.871 18 A HA -0.118 4.203 4.320 0.002 0.000 0.211 18 A C 2.468 179.685 177.584 -0.611 0.000 1.207 18 A CA 1.190 53.071 52.037 -0.259 0.000 0.620 18 A CB -0.572 18.305 19.000 -0.204 0.000 0.860 18 A HN 0.430 nan 8.150 nan 0.000 0.450 19 S N -1.231 114.091 115.700 -0.630 0.000 2.428 19 S HA -0.019 4.452 4.470 0.002 0.000 0.230 19 S C 1.852 176.184 174.600 -0.446 0.000 1.014 19 S CA 1.319 59.096 58.200 -0.706 0.000 0.957 19 S CB -0.075 62.875 63.200 -0.416 0.000 0.784 19 S HN 0.563 nan 8.310 nan 0.000 0.499 20 R N -1.989 118.245 120.500 -0.442 0.000 2.428 20 R HA 0.318 4.659 4.340 0.002 0.000 0.193 20 R C 1.183 177.178 176.300 -0.508 0.000 0.852 20 R CA 0.207 55.976 56.100 -0.552 0.000 1.055 20 R CB 0.234 29.998 30.300 -0.894 0.000 1.343 20 R HN 0.405 nan 8.270 nan 0.000 0.655 21 Y N 0.020 120.266 120.300 -0.089 0.000 2.439 21 Y HA 0.465 5.017 4.550 0.003 0.000 0.281 21 Y C 0.930 176.810 175.900 -0.033 0.000 1.145 21 Y CA 0.023 58.089 58.100 -0.057 0.000 1.252 21 Y CB -0.436 37.989 38.460 -0.058 0.000 1.271 21 Y HN 0.003 nan 8.280 nan 0.000 0.516 22 A N 0.896 123.796 122.820 0.133 0.000 2.366 22 A HA 0.422 4.743 4.320 0.002 0.000 0.249 22 A C 0.586 178.218 177.584 0.081 0.000 1.084 22 A CA -0.030 52.069 52.037 0.102 0.000 0.794 22 A CB -0.286 18.772 19.000 0.098 0.000 1.034 22 A HN 0.367 nan 8.150 nan 0.000 0.491 23 S N 1.510 117.260 115.700 0.083 0.000 2.584 23 S HA 0.274 4.745 4.470 0.002 0.000 0.270 23 S C -1.601 173.050 174.600 0.085 0.000 1.346 23 S CA -0.400 57.843 58.200 0.072 0.000 1.018 23 S CB 0.401 63.639 63.200 0.063 0.000 0.899 23 S HN 0.558 nan 8.310 nan 0.000 0.542 24 P HA -0.051 nan 4.420 nan 0.000 0.220 24 P C 0.748 178.107 177.300 0.099 0.000 1.148 24 P CA 1.069 64.222 63.100 0.088 0.000 0.803 24 P CB 0.031 31.760 31.700 0.049 0.000 0.782 25 E N -0.614 119.629 120.200 0.072 0.000 2.072 25 E HA -0.119 4.232 4.350 0.002 0.000 0.191 25 E C 2.049 178.706 176.600 0.095 0.000 0.985 25 E CA 1.083 57.527 56.400 0.072 0.000 0.801 25 E CB -0.826 28.895 29.700 0.034 0.000 0.750 25 E HN 0.104 nan 8.360 nan 0.000 0.452 26 M N -0.151 119.512 119.600 0.104 0.000 2.200 26 M HA -0.069 4.412 4.480 0.002 0.000 0.265 26 M C 1.745 178.160 176.300 0.193 0.000 1.066 26 M CA 1.225 56.611 55.300 0.144 0.000 1.127 26 M CB -0.248 32.465 32.600 0.187 0.000 1.379 26 M HN 0.179 nan 8.290 nan 0.000 0.420 27 C N -0.320 119.083 119.300 0.172 0.000 2.413 27 C HA -0.152 4.310 4.460 0.002 0.000 0.277 27 C C 2.540 177.627 174.990 0.160 0.000 1.265 27 C CA 0.890 60.013 59.018 0.175 0.000 1.752 27 C CB -1.516 26.324 27.740 0.167 0.000 1.998 27 C HN 0.678 nan 8.230 nan 0.000 0.489 28 F N 1.336 121.280 119.950 -0.010 0.000 2.146 28 F HA -0.107 4.421 4.527 0.002 0.000 0.298 28 F C 2.239 177.920 175.800 -0.198 0.000 1.096 28 F CA 1.517 59.474 58.000 -0.072 0.000 1.275 28 F CB -0.653 38.288 39.000 -0.097 0.000 1.008 28 F HN 0.015 nan 8.300 nan 0.000 0.480 29 V N -0.340 119.329 119.914 -0.409 0.000 2.392 29 V HA -0.306 3.815 4.120 0.002 0.000 0.249 29 V C 1.597 177.257 176.094 -0.724 0.000 1.059 29 V CA 1.805 63.603 62.300 -0.837 0.000 1.051 29 V CB -0.832 30.581 31.823 -0.682 0.000 0.658 29 V HN 0.269 nan 8.190 nan 0.000 0.455 30 F N 0.261 120.081 119.950 -0.217 0.000 2.668 30 F HA 0.257 4.785 4.527 0.002 0.000 0.297 30 F C 1.262 176.972 175.800 -0.150 0.000 1.124 30 F CA -0.225 57.692 58.000 -0.138 0.000 1.353 30 F CB -0.176 38.784 39.000 -0.067 0.000 0.992 30 F HN 0.104 nan 8.300 nan 0.000 0.524 31 S N -1.492 114.137 115.700 -0.119 0.000 2.632 31 S HA 0.181 4.652 4.470 0.002 0.000 0.271 31 S C 0.950 175.424 174.600 -0.209 0.000 1.260 31 S CA -0.745 57.378 58.200 -0.128 0.000 1.010 31 S CB 1.378 64.493 63.200 -0.142 0.000 0.965 31 S HN 0.094 nan 8.310 nan 0.000 0.534 32 D N 0.941 121.234 120.400 -0.178 0.000 2.144 32 D HA -0.088 4.553 4.640 0.002 0.000 0.200 32 D C 1.975 178.223 176.300 -0.086 0.000 0.978 32 D CA 1.095 54.947 54.000 -0.246 0.000 0.833 32 D CB -0.294 40.511 40.800 0.008 0.000 0.961 32 D HN 0.750 nan 8.370 nan 0.000 0.470 33 R N -0.510 120.014 120.500 0.040 0.000 2.091 33 R HA -0.224 4.117 4.340 0.002 0.000 0.238 33 R C 2.291 178.576 176.300 -0.025 0.000 1.136 33 R CA 1.221 57.446 56.100 0.208 0.000 0.959 33 R CB -0.527 29.923 30.300 0.251 0.000 0.856 33 R HN 0.206 nan 8.270 nan 0.000 0.437 34 Y N 1.284 121.336 120.300 -0.414 0.000 2.220 34 Y HA -0.143 4.408 4.550 0.002 0.000 0.291 34 Y C 2.281 177.909 175.900 -0.453 0.000 1.129 34 Y CA 2.002 59.777 58.100 -0.541 0.000 1.161 34 Y CB -0.138 37.756 38.460 -0.942 0.000 0.997 34 Y HN 0.054 nan 8.280 nan 0.000 0.522 35 K N -0.548 119.523 120.400 -0.548 0.000 2.009 35 K HA -0.206 4.115 4.320 0.002 0.000 0.210 35 K C 1.682 177.674 176.600 -1.013 0.000 1.049 35 K CA 2.220 58.011 56.287 -0.827 0.000 0.929 35 K CB -0.520 31.321 32.500 -1.099 0.000 0.714 35 K HN 0.292 nan 8.250 nan 0.000 0.440 36 F N 0.785 120.326 119.950 -0.682 0.000 2.456 36 F HA 0.123 4.651 4.527 0.002 0.000 0.298 36 F C 2.475 178.018 175.800 -0.428 0.000 1.104 36 F CA 0.631 58.184 58.000 -0.746 0.000 1.435 36 F CB -0.404 38.203 39.000 -0.655 0.000 1.078 36 F HN 0.074 nan 8.300 nan 0.000 0.546 37 R N 0.126 120.498 120.500 -0.213 0.000 2.096 37 R HA -0.125 4.216 4.340 0.002 0.000 0.235 37 R C 1.748 177.857 176.300 -0.318 0.000 1.127 37 R CA 1.898 57.868 56.100 -0.218 0.000 0.968 37 R CB -0.408 29.797 30.300 -0.157 0.000 0.861 37 R HN 0.166 nan 8.270 nan 0.000 0.440 38 T N -0.254 114.037 114.554 -0.438 0.000 2.896 38 T HA -0.100 4.251 4.350 0.002 0.000 0.263 38 T C 1.028 175.558 174.700 -0.283 0.000 1.050 38 T CA 0.966 62.809 62.100 -0.428 0.000 1.140 38 T CB -0.216 68.337 68.868 -0.526 0.000 0.877 38 T HN 0.342 nan 8.240 nan 0.000 0.457 39 W N 2.386 123.363 121.300 -0.538 0.000 2.318 39 W HA -0.042 4.619 4.660 0.001 0.000 0.313 39 W C 2.455 178.477 176.519 -0.829 0.000 1.221 39 W CA 0.560 57.451 57.345 -0.757 0.000 1.266 39 W CB -0.772 28.282 29.460 -0.676 0.000 1.150 39 W HN 0.234 nan 8.180 nan 0.000 0.496 40 R N -0.611 119.736 120.500 -0.256 0.000 2.090 40 R HA -0.138 4.204 4.340 0.002 0.000 0.228 40 R C 2.032 178.244 176.300 -0.147 0.000 1.110 40 R CA 1.391 57.374 56.100 -0.195 0.000 0.973 40 R CB -0.645 29.325 30.300 -0.550 0.000 0.869 40 R HN 0.097 nan 8.270 nan 0.000 0.440 41 Q N 1.276 120.870 119.800 -0.343 0.000 2.084 41 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 41 Q C 1.884 177.401 176.000 -0.804 0.000 0.978 41 Q CA 1.498 56.926 55.803 -0.626 0.000 0.844 41 Q CB -0.185 28.087 28.738 -0.776 0.000 0.898 41 Q HN 0.308 nan 8.270 nan 0.000 0.426 42 L N -1.222 119.692 121.223 -0.514 0.000 2.056 42 L HA -0.170 4.171 4.340 0.002 0.000 0.207 42 L C 2.129 179.151 176.870 0.254 0.000 1.078 42 L CA 0.886 55.624 54.840 -0.171 0.000 0.749 42 L CB -0.526 41.288 42.059 -0.409 0.000 0.901 42 L HN 0.404 nan 8.230 nan 0.000 0.433 43 W N -0.288 121.158 121.300 0.244 0.000 2.363 43 W HA -0.189 4.473 4.660 0.002 0.000 0.296 43 W C 2.377 179.073 176.519 0.295 0.000 1.212 43 W CA 0.832 58.396 57.345 0.366 0.000 1.260 43 W CB -0.806 28.922 29.460 0.446 0.000 1.131 43 W HN 0.197 nan 8.180 nan 0.000 0.530 44 L N -0.381 121.075 121.223 0.388 0.000 2.046 44 L HA -0.168 4.173 4.340 0.002 0.000 0.208 44 L C 2.158 179.228 176.870 0.335 0.000 1.077 44 L CA 1.932 56.934 54.840 0.270 0.000 0.747 44 L CB -1.141 40.980 42.059 0.103 0.000 0.896 44 L HN -0.127 nan 8.230 nan 0.000 0.432 45 W N -0.857 120.597 121.300 0.257 0.000 2.388 45 W HA -0.111 4.550 4.660 0.002 0.000 0.294 45 W C 2.434 179.087 176.519 0.223 0.000 1.212 45 W CA 0.819 58.290 57.345 0.210 0.000 1.271 45 W CB -1.143 28.433 29.460 0.194 0.000 1.126 45 W HN 0.239 nan 8.180 nan 0.000 0.535 46 L N 1.192 122.726 121.223 0.519 0.000 2.012 46 L HA -0.143 4.198 4.340 0.002 0.000 0.210 46 L C 2.463 179.484 176.870 0.252 0.000 1.073 46 L CA 2.756 57.789 54.840 0.321 0.000 0.748 46 L CB -1.259 40.940 42.059 0.234 0.000 0.891 46 L HN -0.094 nan 8.230 nan 0.000 0.431 47 A N -1.105 121.878 122.820 0.271 0.000 1.898 47 A HA -0.217 4.104 4.320 0.002 0.000 0.216 47 A C 2.172 179.862 177.584 0.177 0.000 1.181 47 A CA 1.691 53.845 52.037 0.194 0.000 0.620 47 A CB -0.636 18.471 19.000 0.178 0.000 0.819 47 A HN 0.577 nan 8.150 nan 0.000 0.442 48 E N -0.329 120.001 120.200 0.215 0.000 2.049 48 E HA -0.189 4.162 4.350 0.002 0.000 0.198 48 E C 2.349 179.037 176.600 0.147 0.000 1.007 48 E CA 1.227 57.737 56.400 0.185 0.000 0.809 48 E CB -0.298 29.545 29.700 0.238 0.000 0.749 48 E HN 0.610 nan 8.360 nan 0.000 0.450 49 A N 1.101 124.016 122.820 0.159 0.000 1.898 49 A HA -0.225 4.096 4.320 0.002 0.000 0.216 49 A C 1.919 179.582 177.584 0.133 0.000 1.181 49 A CA 1.436 53.541 52.037 0.113 0.000 0.620 49 A CB -0.400 18.660 19.000 0.101 0.000 0.819 49 A HN 0.179 nan 8.150 nan 0.000 0.442 50 E N -0.782 119.519 120.200 0.169 0.000 2.110 50 E HA -0.248 4.103 4.350 0.002 0.000 0.193 50 E C 2.255 178.952 176.600 0.162 0.000 0.988 50 E CA 1.288 57.809 56.400 0.203 0.000 0.804 50 E CB -0.135 29.660 29.700 0.159 0.000 0.745 50 E HN 0.812 nan 8.360 nan 0.000 0.458 51 Q N 0.412 120.285 119.800 0.121 0.000 1.993 51 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 51 Q C 2.069 178.121 176.000 0.086 0.000 0.984 51 Q CA 2.309 58.167 55.803 0.093 0.000 0.837 51 Q CB -0.063 28.724 28.738 0.081 0.000 0.902 51 Q HN 0.160 nan 8.270 nan 0.000 0.423 52 T N 1.603 116.203 114.554 0.077 0.000 2.685 52 T HA -0.175 4.176 4.350 0.002 0.000 0.268 52 T C 1.588 176.317 174.700 0.048 0.000 1.034 52 T CA 1.454 63.585 62.100 0.052 0.000 1.149 52 T CB -0.217 68.673 68.868 0.036 0.000 0.860 52 T HN 0.282 nan 8.240 nan 0.000 0.449 53 L N 0.344 121.609 121.223 0.071 0.000 2.610 53 L HA 0.257 4.598 4.340 0.002 0.000 0.232 53 L C 1.899 178.857 176.870 0.147 0.000 1.149 53 L CA 0.419 55.293 54.840 0.056 0.000 0.872 53 L CB -0.309 41.756 42.059 0.010 0.000 0.992 53 L HN 0.557 nan 8.230 nan 0.000 0.447 54 G N -0.567 108.317 108.800 0.141 0.000 2.184 54 G HA2 -0.209 3.752 3.960 0.002 0.000 0.206 54 G HA3 -0.209 3.752 3.960 0.002 0.000 0.206 54 G C 0.207 175.182 174.900 0.124 0.000 0.995 54 G CA -0.522 44.652 45.100 0.123 0.000 0.651 54 G HN 0.149 nan 8.290 nan 0.000 0.511 55 L N 1.230 122.537 121.223 0.140 0.000 2.464 55 L HA 0.388 4.729 4.340 0.002 0.000 0.264 55 L C -1.516 175.377 176.870 0.038 0.000 1.199 55 L CA -1.778 53.100 54.840 0.064 0.000 0.818 55 L CB 0.429 42.501 42.059 0.021 0.000 1.102 55 L HN -0.077 nan 8.230 nan 0.000 0.473 56 P HA 0.281 nan 4.420 nan 0.000 0.244 56 P C -0.802 176.498 177.300 0.001 0.000 1.769 56 P CA 0.345 63.447 63.100 0.004 0.000 1.102 56 P CB -0.254 31.440 31.700 -0.010 0.000 1.937 57 I N 1.578 122.158 120.570 0.015 0.000 2.498 57 I HA 0.302 4.473 4.170 0.002 0.000 0.290 57 I C 0.936 177.064 176.117 0.018 0.000 1.032 57 I CA -0.716 60.593 61.300 0.015 0.000 1.073 57 I CB 2.471 40.490 38.000 0.033 0.000 1.251 57 I HN 0.095 nan 8.210 nan 0.000 0.426 58 T N -0.445 114.113 114.554 0.007 0.000 2.881 58 T HA 0.247 4.599 4.350 0.002 0.000 0.278 58 T C 0.556 175.266 174.700 0.016 0.000 0.982 58 T CA -0.535 61.570 62.100 0.009 0.000 0.989 58 T CB 1.593 70.459 68.868 -0.003 0.000 1.058 58 T HN 0.449 nan 8.240 nan 0.000 0.529 59 D N 0.184 120.595 120.400 0.018 0.000 2.144 59 D HA -0.077 4.564 4.640 0.002 0.000 0.200 59 D C 2.073 178.384 176.300 0.019 0.000 0.978 59 D CA 1.580 55.595 54.000 0.025 0.000 0.833 59 D CB -0.162 40.652 40.800 0.024 0.000 0.961 59 D HN 0.944 nan 8.370 nan 0.000 0.470 60 E N 0.519 120.723 120.200 0.007 0.000 2.347 60 E HA -0.137 4.214 4.350 0.002 0.000 0.196 60 E C 1.731 178.324 176.600 -0.011 0.000 1.008 60 E CA 0.574 56.974 56.400 -0.001 0.000 0.852 60 E CB -0.203 29.492 29.700 -0.008 0.000 0.783 60 E HN 0.275 nan 8.360 nan 0.000 0.505 61 Q N 0.233 120.024 119.800 -0.015 0.000 2.079 61 Q HA -0.103 4.238 4.340 0.002 0.000 0.200 61 Q C 2.121 178.114 176.000 -0.012 0.000 0.974 61 Q CA 1.104 56.888 55.803 -0.032 0.000 0.840 61 Q CB 0.069 28.787 28.738 -0.033 0.000 0.898 61 Q HN 0.378 nan 8.270 nan 0.000 0.430 62 I N 0.879 121.462 120.570 0.022 0.000 2.233 62 I HA -0.227 3.944 4.170 0.002 0.000 0.243 62 I C 2.188 178.340 176.117 0.059 0.000 1.093 62 I CA 1.441 62.776 61.300 0.057 0.000 1.380 62 I CB -1.249 36.796 38.000 0.075 0.000 1.067 62 I HN 0.283 nan 8.210 nan 0.000 0.413 63 Q N 0.345 120.170 119.800 0.042 0.000 2.112 63 Q HA -0.264 4.078 4.340 0.002 0.000 0.206 63 Q C 2.190 178.213 176.000 0.038 0.000 0.987 63 Q CA 1.883 57.711 55.803 0.042 0.000 0.858 63 Q CB -0.160 28.595 28.738 0.028 0.000 0.905 63 Q HN 0.546 nan 8.270 nan 0.000 0.420 64 E N 0.391 120.599 120.200 0.013 0.000 2.028 64 E HA -0.173 4.178 4.350 0.002 0.000 0.191 64 E C 2.010 178.619 176.600 0.015 0.000 0.988 64 E CA 0.889 57.285 56.400 -0.006 0.000 0.799 64 E CB 0.031 29.698 29.700 -0.055 0.000 0.755 64 E HN 0.325 nan 8.360 nan 0.000 0.447 65 M N 0.405 120.011 119.600 0.010 0.000 2.117 65 M HA -0.170 4.311 4.480 0.002 0.000 0.262 65 M C 2.445 178.898 176.300 0.255 0.000 1.065 65 M CA 1.429 56.795 55.300 0.109 0.000 1.114 65 M CB -0.132 32.540 32.600 0.119 0.000 1.361 65 M HN -0.043 nan 8.290 nan 0.000 0.408 66 K N -0.177 120.320 120.400 0.162 0.000 2.097 66 K HA -0.077 4.244 4.320 0.002 0.000 0.205 66 K C 1.726 178.399 176.600 0.122 0.000 1.050 66 K CA 1.345 57.717 56.287 0.140 0.000 0.938 66 K CB 0.087 32.655 32.500 0.113 0.000 0.718 66 K HN 0.133 nan 8.250 nan 0.000 0.442 67 S N 0.584 116.349 115.700 0.108 0.000 2.522 67 S HA 0.016 4.487 4.470 0.002 0.000 0.227 67 S C 0.335 174.999 174.600 0.107 0.000 0.986 67 S CA 0.663 58.917 58.200 0.090 0.000 0.929 67 S CB -0.075 63.164 63.200 0.065 0.000 0.769 67 S HN 0.402 nan 8.310 nan 0.000 0.529 68 N N 0.392 119.191 118.700 0.165 0.000 2.401 68 N HA 0.356 5.097 4.740 0.002 0.000 0.264 68 N C 0.642 176.278 175.510 0.210 0.000 1.238 68 N CA -0.036 53.134 53.050 0.201 0.000 0.889 68 N CB 0.387 39.029 38.487 0.258 0.000 1.196 68 N HN 0.180 nan 8.380 nan 0.000 0.511 69 L N 0.210 121.510 121.223 0.127 0.000 2.201 69 L HA -0.025 4.317 4.340 0.002 0.000 0.212 69 L C 1.543 178.403 176.870 -0.016 0.000 1.105 69 L CA 1.073 55.922 54.840 0.015 0.000 0.775 69 L CB 0.039 42.097 42.059 -0.001 0.000 0.913 69 L HN 0.312 nan 8.230 nan 0.000 0.440 70 E N -0.994 119.226 120.200 0.034 0.000 2.473 70 E HA -0.003 4.348 4.350 0.002 0.000 0.204 70 E C 0.377 177.004 176.600 0.046 0.000 0.994 70 E CA 0.003 56.431 56.400 0.046 0.000 0.945 70 E CB 0.020 29.762 29.700 0.070 0.000 0.990 70 E HN 0.199 nan 8.360 nan 0.000 0.493 71 N N 1.784 120.513 118.700 0.049 0.000 3.243 71 N HA 0.074 4.815 4.740 0.002 0.000 0.310 71 N C -0.733 174.778 175.510 0.001 0.000 1.313 71 N CA 0.024 53.103 53.050 0.048 0.000 1.204 71 N CB -0.585 37.946 38.487 0.074 0.000 1.483 71 N HN 0.069 nan 8.380 nan 0.000 0.553 72 I N 0.253 120.769 120.570 -0.091 0.000 2.312 72 I HA 0.071 4.242 4.170 0.002 0.000 0.291 72 I C 0.404 176.302 176.117 -0.365 0.000 1.031 72 I CA -0.604 60.509 61.300 -0.311 0.000 1.293 72 I CB 0.677 38.298 38.000 -0.632 0.000 1.403 72 I HN 0.053 nan 8.210 nan 0.000 0.484 73 D N 6.716 126.976 120.400 -0.233 0.000 2.453 73 D HA 0.103 4.744 4.640 0.002 0.000 0.223 73 D C 0.734 176.912 176.300 -0.204 0.000 1.183 73 D CA -0.050 53.871 54.000 -0.130 0.000 0.933 73 D CB 0.406 41.175 40.800 -0.051 0.000 1.038 73 D HN 0.295 nan 8.370 nan 0.000 0.513 74 F N 2.287 122.228 119.950 -0.016 0.000 2.186 74 F HA -0.053 4.475 4.527 0.002 0.000 0.299 74 F C 2.486 178.245 175.800 -0.069 0.000 1.090 74 F CA 0.732 58.705 58.000 -0.045 0.000 1.307 74 F CB -0.102 38.903 39.000 0.010 0.000 1.019 74 F HN 0.318 nan 8.300 nan 0.000 0.489 75 K N 0.531 121.005 120.400 0.122 0.000 2.026 75 K HA -0.248 4.073 4.320 0.002 0.000 0.208 75 K C 2.249 178.835 176.600 -0.023 0.000 1.048 75 K CA 1.708 58.023 56.287 0.046 0.000 0.929 75 K CB -0.324 32.199 32.500 0.039 0.000 0.713 75 K HN 0.259 nan 8.250 nan 0.000 0.439 76 M N 0.294 119.856 119.600 -0.062 0.000 2.108 76 M HA -0.186 4.295 4.480 0.002 0.000 0.261 76 M C 2.009 178.218 176.300 -0.151 0.000 1.066 76 M CA 1.973 57.204 55.300 -0.116 0.000 1.107 76 M CB -0.148 32.363 32.600 -0.149 0.000 1.356 76 M HN 0.247 nan 8.290 nan 0.000 0.406 77 A N 0.117 122.806 122.820 -0.220 0.000 1.933 77 A HA -0.030 4.291 4.320 0.002 0.000 0.218 77 A C 2.286 179.732 177.584 -0.230 0.000 1.175 77 A CA 1.824 53.635 52.037 -0.376 0.000 0.628 77 A CB -1.122 17.415 19.000 -0.772 0.000 0.814 77 A HN 0.677 nan 8.150 nan 0.000 0.444 78 A N -0.146 122.607 122.820 -0.112 0.000 1.873 78 A HA -0.154 4.167 4.320 0.002 0.000 0.215 78 A C 1.907 179.466 177.584 -0.041 0.000 1.186 78 A CA 1.594 53.607 52.037 -0.040 0.000 0.616 78 A CB -0.545 18.461 19.000 0.010 0.000 0.823 78 A HN 0.621 nan 8.150 nan 0.000 0.442 79 E N -0.353 119.816 120.200 -0.051 0.000 2.058 79 E HA -0.205 4.146 4.350 0.002 0.000 0.194 79 E C 2.048 178.615 176.600 -0.055 0.000 0.997 79 E CA 1.265 57.637 56.400 -0.046 0.000 0.801 79 E CB -0.155 29.513 29.700 -0.052 0.000 0.746 79 E HN 0.519 nan 8.360 nan 0.000 0.450 80 E N 0.620 120.770 120.200 -0.083 0.000 2.077 80 E HA -0.226 4.125 4.350 0.002 0.000 0.193 80 E C 1.985 178.539 176.600 -0.077 0.000 0.989 80 E CA 0.926 57.270 56.400 -0.092 0.000 0.800 80 E CB -0.125 29.502 29.700 -0.121 0.000 0.746 80 E HN 0.349 nan 8.360 nan 0.000 0.452 81 E N 0.937 121.102 120.200 -0.058 0.000 2.106 81 E HA -0.165 4.186 4.350 0.002 0.000 0.192 81 E C 1.868 178.470 176.600 0.004 0.000 0.984 81 E CA 0.921 57.318 56.400 -0.006 0.000 0.806 81 E CB 0.150 29.864 29.700 0.024 0.000 0.750 81 E HN 0.095 nan 8.360 nan 0.000 0.458 82 K N 0.150 120.546 120.400 -0.006 0.000 2.097 82 K HA -0.180 4.141 4.320 0.002 0.000 0.206 82 K C 2.378 178.976 176.600 -0.004 0.000 1.049 82 K CA 1.260 57.547 56.287 -0.000 0.000 0.933 82 K CB -0.130 32.368 32.500 -0.003 0.000 0.717 82 K HN 0.043 nan 8.250 nan 0.000 0.442 83 R N 0.949 121.439 120.500 -0.017 0.000 2.057 83 R HA -0.024 4.317 4.340 0.002 0.000 0.229 83 R C 2.113 178.401 176.300 -0.020 0.000 1.136 83 R CA 1.029 57.117 56.100 -0.021 0.000 0.952 83 R CB -0.027 30.254 30.300 -0.033 0.000 0.848 83 R HN 0.104 nan 8.270 nan 0.000 0.430 84 L N 0.098 121.302 121.223 -0.032 0.000 2.341 84 L HA 0.143 4.484 4.340 0.002 0.000 0.214 84 L C 0.564 177.460 176.870 0.043 0.000 1.115 84 L CA 0.266 55.092 54.840 -0.023 0.000 0.820 84 L CB -0.024 41.982 42.059 -0.087 0.000 0.944 84 L HN 0.218 nan 8.230 nan 0.000 0.452 85 R N -0.274 120.252 120.500 0.044 0.000 3.516 85 R HA -0.216 4.125 4.340 0.002 0.000 0.271 85 R C -0.207 176.150 176.300 0.095 0.000 1.098 85 R CA 0.463 56.597 56.100 0.056 0.000 0.732 85 R CB -2.295 28.029 30.300 0.041 0.000 1.152 85 R HN 0.368 nan 8.270 nan 0.000 0.455 86 H N 0.168 119.250 119.070 0.020 0.000 3.181 86 H HA 0.040 4.597 4.556 0.002 0.000 0.331 86 H C 0.464 175.849 175.328 0.095 0.000 0.988 86 H CA -0.407 55.669 56.048 0.047 0.000 1.449 86 H CB 1.016 30.787 29.762 0.014 0.000 1.749 86 H HN 0.156 nan 8.280 nan 0.000 0.501 87 D N 3.466 123.993 120.400 0.212 0.000 2.117 87 D HA -0.132 4.509 4.640 0.002 0.000 0.198 87 D C 1.676 178.352 176.300 0.626 0.000 0.982 87 D CA 0.776 55.012 54.000 0.393 0.000 0.828 87 D CB -0.188 40.870 40.800 0.430 0.000 0.967 87 D HN 0.269 nan 8.370 nan 0.000 0.464 88 V N 0.709 120.973 119.914 0.584 0.000 2.307 88 V HA -0.207 3.914 4.120 0.002 0.000 0.245 88 V C 2.606 178.920 176.094 0.365 0.000 1.045 88 V CA 1.610 64.161 62.300 0.418 0.000 1.024 88 V CB -0.468 31.411 31.823 0.094 0.000 0.651 88 V HN 0.164 nan 8.190 nan 0.000 0.449 89 M N -0.183 119.551 119.600 0.222 0.000 2.296 89 M HA -0.058 4.423 4.480 0.002 0.000 0.265 89 M C 2.369 178.651 176.300 -0.031 0.000 1.064 89 M CA 1.831 57.117 55.300 -0.024 0.000 1.109 89 M CB -1.518 30.910 32.600 -0.286 0.000 1.396 89 M HN 0.412 nan 8.290 nan 0.000 0.430 90 A N -0.446 122.399 122.820 0.041 0.000 1.902 90 A HA -0.190 4.131 4.320 0.002 0.000 0.217 90 A C 2.025 179.594 177.584 -0.025 0.000 1.181 90 A CA 1.486 53.491 52.037 -0.053 0.000 0.623 90 A CB -0.941 18.029 19.000 -0.051 0.000 0.818 90 A HN 0.497 nan 8.150 nan 0.000 0.443 91 H N -1.095 118.093 119.070 0.197 0.000 2.470 91 H HA 0.008 4.565 4.556 0.002 0.000 0.289 91 H C 2.268 177.730 175.328 0.222 0.000 1.033 91 H CA 1.408 57.617 56.048 0.268 0.000 1.331 91 H CB -0.012 30.078 29.762 0.546 0.000 1.414 91 H HN 0.312 nan 8.280 nan 0.000 0.545 92 V N 0.775 120.796 119.914 0.178 0.000 2.295 92 V HA -0.262 3.859 4.120 0.002 0.000 0.246 92 V C 2.247 178.345 176.094 0.007 0.000 1.049 92 V CA 1.713 63.910 62.300 -0.171 0.000 1.024 92 V CB -0.617 31.099 31.823 -0.179 0.000 0.648 92 V HN 0.571 nan 8.190 nan 0.000 0.447 93 H N -0.161 118.868 119.070 -0.068 0.000 2.353 93 H HA -0.132 4.425 4.556 0.002 0.000 0.300 93 H C 2.476 177.796 175.328 -0.014 0.000 1.090 93 H CA 1.797 57.814 56.048 -0.052 0.000 1.327 93 H CB -0.056 29.674 29.762 -0.054 0.000 1.383 93 H HN 0.431 nan 8.280 nan 0.000 0.508 94 T N 1.153 115.774 114.554 0.112 0.000 2.777 94 T HA -0.148 4.203 4.350 0.002 0.000 0.266 94 T C 1.712 176.519 174.700 0.179 0.000 1.040 94 T CA 0.839 62.979 62.100 0.066 0.000 1.141 94 T CB -0.410 68.412 68.868 -0.077 0.000 0.868 94 T HN 0.167 nan 8.240 nan 0.000 0.444 95 F N 2.304 122.257 119.950 0.006 0.000 2.186 95 F HA 0.149 4.677 4.527 0.002 0.000 0.299 95 F C 2.370 178.145 175.800 -0.041 0.000 1.090 95 F CA 0.636 58.638 58.000 0.004 0.000 1.307 95 F CB -1.026 37.973 39.000 -0.003 0.000 1.019 95 F HN 0.177 nan 8.300 nan 0.000 0.489 96 G N -1.283 107.464 108.800 -0.089 0.000 2.443 96 G HA2 -0.276 3.685 3.960 0.002 0.000 0.219 96 G HA3 -0.276 3.685 3.960 0.002 0.000 0.219 96 G C 1.809 176.645 174.900 -0.107 0.000 1.131 96 G CA 0.862 45.842 45.100 -0.200 0.000 0.775 96 G HN 0.522 nan 8.290 nan 0.000 0.547 97 H N 0.425 119.441 119.070 -0.090 0.000 2.436 97 H HA -0.093 4.464 4.556 0.002 0.000 0.294 97 H C 2.417 177.716 175.328 -0.049 0.000 1.048 97 H CA 1.622 57.631 56.048 -0.065 0.000 1.353 97 H CB -0.065 29.676 29.762 -0.035 0.000 1.414 97 H HN 0.425 nan 8.280 nan 0.000 0.536 98 C N -0.284 119.019 119.300 0.006 0.000 2.563 98 C HA 0.331 4.792 4.460 0.002 0.000 0.268 98 C C 1.241 176.177 174.990 -0.089 0.000 1.365 98 C CA -0.567 58.434 59.018 -0.028 0.000 1.754 98 C CB -1.261 26.540 27.740 0.101 0.000 1.932 98 C HN 0.502 nan 8.230 nan 0.000 0.536 99 C N 2.531 121.735 119.300 -0.160 0.000 2.717 99 C HA 0.365 4.826 4.460 0.002 0.000 0.306 99 C C -0.751 174.106 174.990 -0.222 0.000 1.225 99 C CA -0.821 58.063 59.018 -0.222 0.000 1.658 99 C CB -0.318 27.181 27.740 -0.402 0.000 1.714 99 C HN 0.505 nan 8.230 nan 0.000 0.463 100 P HA -0.132 nan 4.420 nan 0.000 0.218 100 P C 1.287 178.500 177.300 -0.145 0.000 1.149 100 P CA 1.495 64.492 63.100 -0.171 0.000 0.817 100 P CB 0.352 31.953 31.700 -0.166 0.000 0.785 101 K N 0.080 120.402 120.400 -0.129 0.000 2.057 101 K HA 0.017 4.339 4.320 0.002 0.000 0.206 101 K C 2.235 178.762 176.600 -0.121 0.000 1.050 101 K CA 1.449 57.672 56.287 -0.107 0.000 0.935 101 K CB -0.435 32.015 32.500 -0.083 0.000 0.715 101 K HN 0.037 nan 8.250 nan 0.000 0.439 102 A N 1.003 123.728 122.820 -0.159 0.000 2.178 102 A HA 0.199 4.520 4.320 0.002 0.000 0.211 102 A C 2.171 179.623 177.584 -0.220 0.000 1.157 102 A CA 0.871 52.801 52.037 -0.180 0.000 0.780 102 A CB -0.319 18.549 19.000 -0.219 0.000 0.828 102 A HN 0.262 nan 8.150 nan 0.000 0.476 103 A N 0.055 122.738 122.820 -0.228 0.000 1.927 103 A HA -0.047 4.274 4.320 0.002 0.000 0.220 103 A C 2.235 179.698 177.584 -0.203 0.000 1.185 103 A CA 1.954 53.847 52.037 -0.240 0.000 0.639 103 A CB -1.221 17.657 19.000 -0.205 0.000 0.820 103 A HN 0.805 nan 8.150 nan 0.000 0.451 104 G N -0.638 108.067 108.800 -0.158 0.000 2.744 104 G HA2 0.179 4.140 3.960 0.002 0.000 0.211 104 G HA3 0.179 4.140 3.960 0.002 0.000 0.211 104 G C 1.024 175.856 174.900 -0.113 0.000 1.143 104 G CA 1.064 46.086 45.100 -0.129 0.000 0.788 104 G HN 0.910 nan 8.290 nan 0.000 0.534 105 I N -2.534 117.966 120.570 -0.117 0.000 4.240 105 I HA 0.438 4.609 4.170 0.002 0.000 0.331 105 I C 0.446 176.517 176.117 -0.078 0.000 1.381 105 I CA -1.495 59.754 61.300 -0.085 0.000 1.136 105 I CB 0.049 38.014 38.000 -0.057 0.000 1.137 105 I HN -0.173 nan 8.210 nan 0.000 0.411 106 I N 3.546 124.028 120.570 -0.147 0.000 2.775 106 I HA -0.059 4.112 4.170 0.002 0.000 0.290 106 I C 1.287 177.335 176.117 -0.114 0.000 1.203 106 I CA 0.777 61.954 61.300 -0.204 0.000 1.433 106 I CB -0.219 37.529 38.000 -0.420 0.000 1.354 106 I HN 0.511 nan 8.210 nan 0.000 0.579 107 H N 3.237 122.219 119.070 -0.147 0.000 3.080 107 H HA -0.177 4.380 4.556 0.002 0.000 0.254 107 H C -0.061 175.283 175.328 0.026 0.000 1.179 107 H CA -0.166 55.929 56.048 0.079 0.000 1.144 107 H CB -0.399 29.367 29.762 0.007 0.000 1.261 107 H HN 0.434 nan 8.280 nan 0.000 0.333 108 L N 1.392 122.594 121.223 -0.034 0.000 2.615 108 L HA 0.205 4.547 4.340 0.002 0.000 0.271 108 L C 1.501 178.225 176.870 -0.244 0.000 1.183 108 L CA 2.047 56.812 54.840 -0.125 0.000 0.933 108 L CB 0.004 42.015 42.059 -0.080 0.000 1.199 108 L HN 0.491 nan 8.230 nan 0.000 0.487 109 G N 2.884 111.432 108.800 -0.419 0.000 2.253 109 G HA2 -0.233 3.729 3.960 0.002 0.000 0.251 109 G HA3 -0.233 3.729 3.960 0.002 0.000 0.251 109 G C 0.463 174.787 174.900 -0.961 0.000 0.998 109 G CA 0.308 44.911 45.100 -0.828 0.000 0.621 109 G HN 1.241 nan 8.290 nan 0.000 0.524 110 A N -0.117 122.325 122.820 -0.631 0.000 2.286 110 A HA 0.811 5.132 4.320 0.002 0.000 0.286 110 A C 0.599 177.914 177.584 -0.448 0.000 1.097 110 A CA 1.015 52.783 52.037 -0.449 0.000 0.821 110 A CB 0.715 19.445 19.000 -0.451 0.000 1.076 110 A HN 0.712 nan 8.150 nan 0.000 0.490 111 T N 0.301 114.834 114.554 -0.036 0.000 2.936 111 T HA 0.337 4.688 4.350 0.002 0.000 0.282 111 T C 1.558 176.501 174.700 0.405 0.000 1.003 111 T CA 0.029 62.227 62.100 0.165 0.000 1.005 111 T CB 1.478 70.415 68.868 0.115 0.000 1.097 111 T HN 0.596 nan 8.240 nan 0.000 0.532 112 S N 0.377 116.284 115.700 0.345 0.000 2.374 112 S HA -0.158 4.313 4.470 0.002 0.000 0.227 112 S C 2.247 176.882 174.600 0.058 0.000 1.037 112 S CA 1.142 59.474 58.200 0.219 0.000 1.024 112 S CB -0.567 62.761 63.200 0.212 0.000 0.861 112 S HN 0.804 nan 8.310 nan 0.000 0.456 113 C N 0.618 119.957 119.300 0.065 0.000 2.410 113 C HA -0.084 4.377 4.460 0.002 0.000 0.281 113 C C 2.277 177.248 174.990 -0.032 0.000 1.318 113 C CA 0.368 59.378 59.018 -0.013 0.000 1.776 113 C CB -1.618 26.119 27.740 -0.004 0.000 1.942 113 C HN 0.706 nan 8.230 nan 0.000 0.508 114 Y N 2.418 122.703 120.300 -0.025 0.000 2.102 114 Y HA -0.263 4.288 4.550 0.002 0.000 0.280 114 Y C 2.349 178.141 175.900 -0.180 0.000 1.178 114 Y CA 2.545 60.619 58.100 -0.044 0.000 1.146 114 Y CB -0.414 38.097 38.460 0.085 0.000 0.968 114 Y HN 0.297 nan 8.280 nan 0.000 0.504 115 V N -2.137 117.475 119.914 -0.503 0.000 2.426 115 V HA 0.180 4.301 4.120 0.002 0.000 0.242 115 V C 2.398 178.066 176.094 -0.711 0.000 1.036 115 V CA 1.365 63.119 62.300 -0.911 0.000 1.044 115 V CB -1.545 29.389 31.823 -1.482 0.000 0.688 115 V HN 0.378 nan 8.190 nan 0.000 0.462 116 G N 0.404 108.869 108.800 -0.559 0.000 2.480 116 G HA2 -0.263 3.698 3.960 0.002 0.000 0.216 116 G HA3 -0.263 3.698 3.960 0.002 0.000 0.216 116 G C 1.200 176.076 174.900 -0.040 0.000 1.200 116 G CA 1.394 46.391 45.100 -0.171 0.000 0.782 116 G HN 0.525 nan 8.290 nan 0.000 0.554 117 D N 0.308 120.661 120.400 -0.077 0.000 2.103 117 D HA -0.042 4.599 4.640 0.002 0.000 0.199 117 D C 2.486 178.773 176.300 -0.022 0.000 0.978 117 D CA 0.515 54.543 54.000 0.046 0.000 0.829 117 D CB -0.213 40.623 40.800 0.061 0.000 0.981 117 D HN 0.095 nan 8.370 nan 0.000 0.464 118 N N -0.071 118.474 118.700 -0.259 0.000 2.166 118 N HA -0.092 4.649 4.740 0.002 0.000 0.186 118 N C 1.709 177.142 175.510 -0.128 0.000 1.019 118 N CA 1.037 53.836 53.050 -0.419 0.000 0.856 118 N CB -0.445 37.643 38.487 -0.665 0.000 0.993 118 N HN 0.168 nan 8.380 nan 0.000 0.426 119 T N 1.511 116.009 114.554 -0.093 0.000 2.746 119 T HA -0.101 4.250 4.350 0.002 0.000 0.267 119 T C 1.161 175.878 174.700 0.028 0.000 1.039 119 T CA 1.127 63.222 62.100 -0.008 0.000 1.142 119 T CB -0.225 68.686 68.868 0.071 0.000 0.866 119 T HN 0.184 nan 8.240 nan 0.000 0.444 120 D N 1.055 121.495 120.400 0.065 0.000 2.144 120 D HA -0.004 4.637 4.640 0.002 0.000 0.199 120 D C 2.108 178.455 176.300 0.079 0.000 0.984 120 D CA 0.720 54.787 54.000 0.111 0.000 0.834 120 D CB -0.312 40.622 40.800 0.223 0.000 0.955 120 D HN 0.330 nan 8.370 nan 0.000 0.465 121 L N 0.245 121.484 121.223 0.028 0.000 2.093 121 L HA -0.077 4.265 4.340 0.002 0.000 0.208 121 L C 2.496 179.514 176.870 0.246 0.000 1.085 121 L CA 0.550 55.404 54.840 0.023 0.000 0.755 121 L CB -0.236 41.726 42.059 -0.162 0.000 0.904 121 L HN -0.003 nan 8.230 nan 0.000 0.435 122 I N -0.095 120.631 120.570 0.259 0.000 2.179 122 I HA -0.319 3.852 4.170 0.002 0.000 0.242 122 I C 2.413 178.624 176.117 0.156 0.000 1.088 122 I CA 1.573 63.074 61.300 0.335 0.000 1.357 122 I CB -0.166 38.006 38.000 0.288 0.000 1.051 122 I HN 0.164 nan 8.210 nan 0.000 0.409 123 I N 0.285 120.883 120.570 0.048 0.000 2.202 123 I HA -0.294 3.878 4.170 0.002 0.000 0.242 123 I C 2.451 178.389 176.117 -0.299 0.000 1.091 123 I CA 1.363 62.569 61.300 -0.158 0.000 1.368 123 I CB -0.245 37.590 38.000 -0.275 0.000 1.058 123 I HN 0.185 nan 8.210 nan 0.000 0.410 124 L N 0.136 121.264 121.223 -0.158 0.000 2.042 124 L HA -0.248 4.093 4.340 0.002 0.000 0.210 124 L C 2.774 179.547 176.870 -0.162 0.000 1.076 124 L CA 1.491 56.215 54.840 -0.193 0.000 0.749 124 L CB -0.521 41.553 42.059 0.025 0.000 0.893 124 L HN 0.219 nan 8.230 nan 0.000 0.432 125 R N -0.112 120.374 120.500 -0.023 0.000 2.090 125 R HA -0.106 4.235 4.340 0.002 0.000 0.228 125 R C 2.034 178.293 176.300 -0.068 0.000 1.110 125 R CA 1.245 57.335 56.100 -0.016 0.000 0.973 125 R CB 0.036 30.335 30.300 -0.002 0.000 0.869 125 R HN 0.367 nan 8.270 nan 0.000 0.440 126 N N 0.537 119.182 118.700 -0.091 0.000 2.270 126 N HA -0.087 4.654 4.740 0.002 0.000 0.181 126 N C 1.433 176.845 175.510 -0.163 0.000 1.016 126 N CA 1.293 54.277 53.050 -0.110 0.000 0.870 126 N CB -0.262 38.164 38.487 -0.102 0.000 0.979 126 N HN 0.239 nan 8.380 nan 0.000 0.431 127 A N 0.912 123.554 122.820 -0.297 0.000 1.902 127 A HA -0.030 4.291 4.320 0.002 0.000 0.217 127 A C 2.244 179.803 177.584 -0.041 0.000 1.181 127 A CA 0.909 52.754 52.037 -0.320 0.000 0.623 127 A CB -0.740 17.723 19.000 -0.895 0.000 0.818 127 A HN 0.213 nan 8.150 nan 0.000 0.443 128 L N -0.520 120.706 121.223 0.005 0.000 2.141 128 L HA -0.164 4.177 4.340 0.002 0.000 0.209 128 L C 1.710 178.650 176.870 0.118 0.000 1.094 128 L CA 1.201 56.160 54.840 0.198 0.000 0.763 128 L CB -0.482 41.690 42.059 0.189 0.000 0.908 128 L HN 0.272 nan 8.230 nan 0.000 0.437 129 D N -0.267 120.162 120.400 0.049 0.000 2.269 129 D HA -0.082 4.559 4.640 0.002 0.000 0.208 129 D C 2.314 178.649 176.300 0.057 0.000 0.963 129 D CA 0.856 54.883 54.000 0.046 0.000 0.864 129 D CB 0.129 40.931 40.800 0.003 0.000 0.936 129 D HN 0.288 nan 8.370 nan 0.000 0.505 130 L N -0.144 121.111 121.223 0.053 0.000 2.131 130 L HA -0.006 4.335 4.340 0.002 0.000 0.206 130 L C 2.336 179.257 176.870 0.086 0.000 1.087 130 L CA 0.464 55.341 54.840 0.061 0.000 0.767 130 L CB -0.160 41.931 42.059 0.054 0.000 0.917 130 L HN 0.037 nan 8.230 nan 0.000 0.441 131 L N -0.528 120.768 121.223 0.122 0.000 2.109 131 L HA -0.194 4.147 4.340 0.002 0.000 0.207 131 L C 2.506 179.414 176.870 0.063 0.000 1.086 131 L CA 0.925 55.831 54.840 0.110 0.000 0.760 131 L CB -0.356 41.799 42.059 0.159 0.000 0.910 131 L HN 0.263 nan 8.230 nan 0.000 0.437 132 L N -0.010 121.262 121.223 0.082 0.000 1.989 132 L HA -0.175 4.166 4.340 0.002 0.000 0.211 132 L C -0.152 176.691 176.870 -0.045 0.000 1.071 132 L CA 1.699 56.572 54.840 0.054 0.000 0.749 132 L CB -1.677 40.495 42.059 0.189 0.000 0.890 132 L HN 0.230 nan 8.230 nan 0.000 0.431 133 P HA -0.139 nan 4.420 nan 0.000 0.220 133 P C 1.209 178.493 177.300 -0.027 0.000 1.148 133 P CA 1.263 64.386 63.100 0.038 0.000 0.803 133 P CB 0.019 31.788 31.700 0.114 0.000 0.782 134 K N -0.784 119.610 120.400 -0.009 0.000 2.057 134 K HA -0.103 4.218 4.320 0.002 0.000 0.206 134 K C 1.939 178.513 176.600 -0.043 0.000 1.050 134 K CA 0.991 57.271 56.287 -0.012 0.000 0.935 134 K CB -0.858 31.649 32.500 0.010 0.000 0.715 134 K HN 0.071 nan 8.250 nan 0.000 0.439 135 L N 1.249 122.432 121.223 -0.066 0.000 2.056 135 L HA -0.066 4.275 4.340 0.002 0.000 0.207 135 L C 2.192 178.983 176.870 -0.132 0.000 1.078 135 L CA 1.712 56.502 54.840 -0.084 0.000 0.749 135 L CB -0.762 41.249 42.059 -0.080 0.000 0.901 135 L HN 0.112 nan 8.230 nan 0.000 0.433 136 A N -0.390 122.280 122.820 -0.251 0.000 1.940 136 A HA -0.277 4.044 4.320 0.002 0.000 0.219 136 A C 2.547 180.058 177.584 -0.123 0.000 1.176 136 A CA 1.952 53.806 52.037 -0.306 0.000 0.631 136 A CB -0.655 17.956 19.000 -0.649 0.000 0.814 136 A HN 0.515 nan 8.150 nan 0.000 0.446 137 R N -0.594 119.860 120.500 -0.077 0.000 2.075 137 R HA -0.073 4.268 4.340 0.002 0.000 0.232 137 R C 1.943 178.237 176.300 -0.010 0.000 1.126 137 R CA 1.578 57.665 56.100 -0.022 0.000 0.963 137 R CB -0.350 29.945 30.300 -0.009 0.000 0.858 137 R HN 0.322 nan 8.270 nan 0.000 0.435 138 V N 1.049 120.950 119.914 -0.021 0.000 2.343 138 V HA -0.259 3.862 4.120 0.002 0.000 0.247 138 V C 2.258 178.364 176.094 0.020 0.000 1.051 138 V CA 1.848 64.144 62.300 -0.007 0.000 1.036 138 V CB -0.366 31.445 31.823 -0.020 0.000 0.654 138 V HN 0.338 nan 8.190 nan 0.000 0.451 139 I N -0.106 120.471 120.570 0.011 0.000 2.286 139 I HA -0.240 3.931 4.170 0.002 0.000 0.248 139 I C 2.704 178.862 176.117 0.068 0.000 1.115 139 I CA 1.784 63.109 61.300 0.042 0.000 1.392 139 I CB -0.410 37.594 38.000 0.008 0.000 1.065 139 I HN 0.302 nan 8.210 nan 0.000 0.418 140 S N 0.478 116.208 115.700 0.051 0.000 2.368 140 S HA -0.130 4.342 4.470 0.002 0.000 0.224 140 S C 2.256 176.912 174.600 0.092 0.000 1.029 140 S CA 1.074 59.321 58.200 0.078 0.000 0.988 140 S CB -0.073 63.159 63.200 0.054 0.000 0.838 140 S HN 0.260 nan 8.310 nan 0.000 0.462 141 R N 0.903 121.447 120.500 0.072 0.000 2.073 141 R HA 0.048 4.389 4.340 0.002 0.000 0.234 141 R C 2.348 178.726 176.300 0.129 0.000 1.134 141 R CA 1.069 57.217 56.100 0.080 0.000 0.952 141 R CB -1.298 29.028 30.300 0.043 0.000 0.850 141 R HN 0.448 nan 8.270 nan 0.000 0.433 142 L N 0.440 121.743 121.223 0.132 0.000 2.083 142 L HA -0.136 4.205 4.340 0.002 0.000 0.209 142 L C 2.627 179.649 176.870 0.253 0.000 1.083 142 L CA 1.285 56.249 54.840 0.207 0.000 0.752 142 L CB -0.630 41.552 42.059 0.205 0.000 0.899 142 L HN 0.168 nan 8.230 nan 0.000 0.433 143 A N -0.260 122.677 122.820 0.195 0.000 1.930 143 A HA -0.212 4.109 4.320 0.002 0.000 0.217 143 A C 1.907 179.609 177.584 0.195 0.000 1.175 143 A CA 1.786 53.936 52.037 0.189 0.000 0.627 143 A CB -0.415 18.700 19.000 0.193 0.000 0.815 143 A HN 0.340 nan 8.150 nan 0.000 0.443 144 D N -1.038 119.474 120.400 0.186 0.000 2.117 144 D HA -0.134 4.507 4.640 0.002 0.000 0.197 144 D C 1.593 177.992 176.300 0.166 0.000 0.987 144 D CA 1.205 55.297 54.000 0.154 0.000 0.829 144 D CB -0.419 40.459 40.800 0.129 0.000 0.961 144 D HN 0.478 nan 8.370 nan 0.000 0.460 145 F N 1.685 121.672 119.950 0.063 0.000 2.113 145 F HA -0.102 4.426 4.527 0.001 0.000 0.297 145 F C 2.230 178.053 175.800 0.039 0.000 1.103 145 F CA 1.470 59.500 58.000 0.051 0.000 1.248 145 F CB -0.287 38.754 39.000 0.068 0.000 0.999 145 F HN -0.069 nan 8.300 nan 0.000 0.475 146 A N 0.099 122.979 122.820 0.100 0.000 1.902 146 A HA -0.231 4.090 4.320 0.002 0.000 0.217 146 A C 2.326 179.871 177.584 -0.065 0.000 1.181 146 A CA 1.901 53.927 52.037 -0.019 0.000 0.623 146 A CB -0.836 18.218 19.000 0.090 0.000 0.818 146 A HN 0.462 nan 8.150 nan 0.000 0.443 147 K N -0.431 119.971 120.400 0.004 0.000 2.025 147 K HA -0.191 4.130 4.320 0.002 0.000 0.207 147 K C 2.134 178.707 176.600 -0.046 0.000 1.049 147 K CA 1.608 57.902 56.287 0.012 0.000 0.933 147 K CB -0.187 32.362 32.500 0.081 0.000 0.714 147 K HN 0.633 nan 8.250 nan 0.000 0.438 148 E N 0.002 120.156 120.200 -0.077 0.000 2.153 148 E HA -0.175 4.176 4.350 0.002 0.000 0.194 148 E C 0.958 177.450 176.600 -0.179 0.000 0.988 148 E CA 0.936 57.271 56.400 -0.109 0.000 0.811 148 E CB 0.298 29.939 29.700 -0.099 0.000 0.746 148 E HN 0.108 nan 8.360 nan 0.000 0.466 149 R N -0.630 119.694 120.500 -0.293 0.000 2.546 149 R HA 0.271 4.613 4.340 0.002 0.000 0.320 149 R C 1.377 177.552 176.300 -0.209 0.000 1.021 149 R CA 0.570 56.478 56.100 -0.319 0.000 1.088 149 R CB 0.456 30.389 30.300 -0.611 0.000 1.278 149 R HN 0.130 nan 8.270 nan 0.000 0.557 150 A N 0.647 123.382 122.820 -0.143 0.000 1.948 150 A HA -0.132 4.189 4.320 0.002 0.000 0.220 150 A C 1.748 179.285 177.584 -0.077 0.000 1.177 150 A CA 1.868 53.849 52.037 -0.093 0.000 0.636 150 A CB -0.023 18.946 19.000 -0.052 0.000 0.815 150 A HN 0.194 nan 8.150 nan 0.000 0.449 151 S N -1.621 114.037 115.700 -0.070 0.000 2.559 151 S HA 0.262 4.734 4.470 0.002 0.000 0.226 151 S C 0.119 174.691 174.600 -0.048 0.000 1.000 151 S CA -0.532 57.639 58.200 -0.049 0.000 0.948 151 S CB -0.006 63.174 63.200 -0.034 0.000 0.870 151 S HN 0.366 nan 8.310 nan 0.000 0.497 152 L N 4.615 125.799 121.223 -0.066 0.000 2.456 152 L HA 0.330 4.671 4.340 0.002 0.000 0.277 152 L C -2.736 174.109 176.870 -0.043 0.000 1.124 152 L CA -2.002 52.806 54.840 -0.053 0.000 0.880 152 L CB -0.033 41.984 42.059 -0.069 0.000 1.192 152 L HN -0.117 nan 8.230 nan 0.000 0.463 153 P HA 0.179 nan 4.420 nan 0.000 0.268 153 P C -0.834 176.449 177.300 -0.028 0.000 1.205 153 P CA -0.126 62.960 63.100 -0.025 0.000 0.771 153 P CB 0.854 32.548 31.700 -0.010 0.000 0.858 154 T N 2.017 116.546 114.554 -0.043 0.000 2.894 154 T HA 0.380 4.731 4.350 0.002 0.000 0.309 154 T C -1.220 173.413 174.700 -0.112 0.000 1.208 154 T CA -0.712 61.360 62.100 -0.047 0.000 1.016 154 T CB 0.481 69.343 68.868 -0.010 0.000 1.192 154 T HN 0.158 nan 8.240 nan 0.000 0.491 155 L N 3.892 125.009 121.223 -0.177 0.000 2.513 155 L HA 0.572 4.913 4.340 0.002 0.000 0.272 155 L C 0.932 177.490 176.870 -0.519 0.000 1.187 155 L CA 0.550 55.176 54.840 -0.358 0.000 0.895 155 L CB 0.010 41.789 42.059 -0.466 0.000 1.147 155 L HN 0.758 nan 8.230 nan 0.000 0.483 156 G N 4.121 112.692 108.800 -0.381 0.000 2.527 156 G HA2 0.381 4.342 3.960 0.002 0.000 0.248 156 G HA3 0.381 4.342 3.960 0.002 0.000 0.248 156 G C -1.139 173.517 174.900 -0.407 0.000 1.231 156 G CA -0.343 44.593 45.100 -0.273 0.000 0.838 156 G HN 0.463 nan 8.290 nan 0.000 0.570 157 F N 0.326 120.341 119.950 0.109 0.000 2.539 157 F HA 0.499 5.026 4.527 0.001 0.000 0.328 157 F C 0.475 176.364 175.800 0.148 0.000 1.148 157 F CA -0.795 57.307 58.000 0.170 0.000 0.940 157 F CB 2.510 41.694 39.000 0.308 0.000 1.194 157 F HN 0.591 nan 8.300 nan 0.000 0.438 158 T N -0.843 113.920 114.554 0.347 0.000 2.886 158 T HA 0.367 4.718 4.350 0.002 0.000 0.292 158 T C -0.172 174.738 174.700 0.350 0.000 1.012 158 T CA -0.556 61.693 62.100 0.248 0.000 0.982 158 T CB 1.343 70.318 68.868 0.178 0.000 1.018 158 T HN 0.807 nan 8.240 nan 0.000 0.451 159 H N 0.885 120.047 119.070 0.154 0.000 3.010 159 H HA -0.189 4.367 4.556 -0.001 0.000 0.272 159 H C 0.267 175.727 175.328 0.220 0.000 1.151 159 H CA 0.965 57.097 56.048 0.140 0.000 1.159 159 H CB -1.218 28.601 29.762 0.094 0.000 1.295 159 H HN 0.876 nan 8.280 nan 0.000 0.344 160 F N 0.276 120.313 119.950 0.144 0.000 3.048 160 F HA -0.281 4.246 4.527 0.000 0.000 0.269 160 F C -0.100 175.778 175.800 0.130 0.000 0.960 160 F CA 1.169 59.192 58.000 0.038 0.000 0.909 160 F CB -0.732 38.204 39.000 -0.107 0.000 0.837 160 F HN 0.343 nan 8.300 nan 0.000 0.768 161 Q N 1.002 121.001 119.800 0.331 0.000 2.413 161 Q HA 0.474 4.815 4.340 0.002 0.000 0.276 161 Q C -2.407 173.773 176.000 0.299 0.000 1.099 161 Q CA -1.912 54.014 55.803 0.205 0.000 0.814 161 Q CB 1.866 30.663 28.738 0.098 0.000 1.379 161 Q HN -0.038 nan 8.270 nan 0.000 0.436 162 P HA 0.092 nan 4.420 nan 0.000 0.261 162 P C -1.218 176.080 177.300 -0.004 0.000 1.183 162 P CA 0.487 63.592 63.100 0.009 0.000 0.761 162 P CB 0.412 32.109 31.700 -0.006 0.000 0.785 163 A N 3.083 125.859 122.820 -0.073 0.000 2.583 163 A HA 0.403 4.724 4.320 0.002 0.000 0.289 163 A C -0.539 177.010 177.584 -0.058 0.000 1.151 163 A CA -0.680 51.344 52.037 -0.021 0.000 0.695 163 A CB 0.812 19.838 19.000 0.042 0.000 1.290 163 A HN 0.387 nan 8.150 nan 0.000 0.419 164 Q N 0.980 120.775 119.800 -0.010 0.000 2.398 164 Q HA -0.006 4.335 4.340 0.002 0.000 0.329 164 Q C -0.200 175.785 176.000 -0.024 0.000 1.079 164 Q CA 0.677 56.484 55.803 0.007 0.000 1.041 164 Q CB -0.107 28.652 28.738 0.036 0.000 1.084 164 Q HN 0.539 nan 8.270 nan 0.000 0.386 165 L N 2.063 123.275 121.223 -0.018 0.000 2.514 165 L HA -0.023 4.319 4.340 0.002 0.000 0.280 165 L C 1.143 177.996 176.870 -0.029 0.000 1.223 165 L CA 0.581 55.395 54.840 -0.043 0.000 0.864 165 L CB 0.000 42.052 42.059 -0.012 0.000 1.118 165 L HN 0.624 nan 8.230 nan 0.000 0.494 166 T N 0.837 115.358 114.554 -0.056 0.000 2.735 166 T HA 0.604 4.955 4.350 0.002 0.000 0.262 166 T C -0.242 174.424 174.700 -0.057 0.000 0.955 166 T CA -0.016 62.051 62.100 -0.054 0.000 1.022 166 T CB 1.782 70.610 68.868 -0.067 0.000 1.455 166 T HN 0.811 nan 8.240 nan 0.000 0.583 167 T N -1.067 113.444 114.554 -0.072 0.000 2.916 167 T HA 0.537 4.888 4.350 0.002 0.000 0.292 167 T C 1.236 175.875 174.700 -0.101 0.000 1.055 167 T CA -0.556 61.498 62.100 -0.077 0.000 1.009 167 T CB 1.117 69.940 68.868 -0.076 0.000 1.118 167 T HN 0.228 nan 8.240 nan 0.000 0.497 168 V N 1.825 121.680 119.914 -0.098 0.000 2.332 168 V HA -0.026 4.095 4.120 0.002 0.000 0.248 168 V C 2.826 178.817 176.094 -0.173 0.000 1.055 168 V CA 2.623 64.861 62.300 -0.103 0.000 1.038 168 V CB -1.323 30.446 31.823 -0.090 0.000 0.651 168 V HN 1.109 nan 8.190 nan 0.000 0.450 169 G N -0.289 108.391 108.800 -0.201 0.000 2.408 169 G HA2 -0.294 3.667 3.960 0.002 0.000 0.217 169 G HA3 -0.294 3.667 3.960 0.002 0.000 0.217 169 G C 1.577 176.381 174.900 -0.161 0.000 1.150 169 G CA 1.074 46.061 45.100 -0.189 0.000 0.776 169 G HN 0.484 nan 8.290 nan 0.000 0.542 170 K N 0.947 121.252 120.400 -0.158 0.000 2.057 170 K HA -0.006 4.315 4.320 0.002 0.000 0.206 170 K C 2.391 178.838 176.600 -0.256 0.000 1.050 170 K CA 1.342 57.527 56.287 -0.171 0.000 0.935 170 K CB -0.423 31.997 32.500 -0.132 0.000 0.715 170 K HN 0.258 nan 8.250 nan 0.000 0.439 171 R N -0.282 120.041 120.500 -0.294 0.000 2.081 171 R HA -0.151 4.190 4.340 0.002 0.000 0.235 171 R C 2.375 178.151 176.300 -0.874 0.000 1.131 171 R CA 1.800 57.624 56.100 -0.459 0.000 0.960 171 R CB -0.955 29.119 30.300 -0.377 0.000 0.856 171 R HN 0.439 nan 8.270 nan 0.000 0.436 172 C N 0.219 119.047 119.300 -0.787 0.000 2.413 172 C HA -0.149 4.313 4.460 0.002 0.000 0.277 172 C C 2.807 177.609 174.990 -0.314 0.000 1.265 172 C CA 0.991 59.581 59.018 -0.713 0.000 1.752 172 C CB -1.261 26.432 27.740 -0.078 0.000 1.998 172 C HN 0.778 nan 8.230 nan 0.000 0.489 173 C N 0.466 119.620 119.300 -0.245 0.000 2.422 173 C HA -0.061 4.400 4.460 0.002 0.000 0.279 173 C C 2.541 177.354 174.990 -0.295 0.000 1.305 173 C CA 0.881 59.779 59.018 -0.200 0.000 1.757 173 C CB -1.478 26.065 27.740 -0.329 0.000 1.962 173 C HN 0.636 nan 8.230 nan 0.000 0.499 174 L N -0.420 120.618 121.223 -0.309 0.000 2.042 174 L HA -0.169 4.172 4.340 0.002 0.000 0.210 174 L C 2.707 179.610 176.870 0.055 0.000 1.076 174 L CA 1.778 56.515 54.840 -0.172 0.000 0.749 174 L CB -0.849 41.121 42.059 -0.148 0.000 0.893 174 L HN 0.480 nan 8.230 nan 0.000 0.432 175 W N 0.645 121.937 121.300 -0.013 0.000 2.354 175 W HA -0.115 4.545 4.660 0.000 0.000 0.315 175 W C 2.479 179.020 176.519 0.036 0.000 1.206 175 W CA 0.337 57.686 57.345 0.007 0.000 1.290 175 W CB -1.225 28.243 29.460 0.012 0.000 1.152 175 W HN 0.080 nan 8.180 nan 0.000 0.489 176 I N 0.324 121.072 120.570 0.297 0.000 2.163 176 I HA -0.366 3.805 4.170 0.002 0.000 0.243 176 I C 2.686 178.971 176.117 0.280 0.000 1.085 176 I CA 1.933 63.401 61.300 0.279 0.000 1.347 176 I CB -0.768 37.444 38.000 0.353 0.000 1.044 176 I HN 0.059 nan 8.210 nan 0.000 0.408 177 Q N 0.909 120.864 119.800 0.257 0.000 2.061 177 Q HA -0.278 4.064 4.340 0.002 0.000 0.204 177 Q C 1.747 177.837 176.000 0.149 0.000 0.984 177 Q CA 2.187 58.136 55.803 0.243 0.000 0.846 177 Q CB 0.021 28.758 28.738 -0.002 0.000 0.902 177 Q HN 0.419 nan 8.270 nan 0.000 0.421 178 D N 0.266 120.733 120.400 0.112 0.000 2.123 178 D HA -0.154 4.488 4.640 0.002 0.000 0.196 178 D C 1.925 178.269 176.300 0.073 0.000 0.992 178 D CA 1.071 55.120 54.000 0.082 0.000 0.833 178 D CB -0.185 40.662 40.800 0.079 0.000 0.954 178 D HN 0.306 nan 8.370 nan 0.000 0.455 179 L N -0.067 121.209 121.223 0.088 0.000 2.083 179 L HA -0.163 4.178 4.340 0.002 0.000 0.209 179 L C 2.521 179.419 176.870 0.046 0.000 1.083 179 L CA 0.610 55.484 54.840 0.056 0.000 0.752 179 L CB -0.362 41.733 42.059 0.059 0.000 0.899 179 L HN 0.156 nan 8.230 nan 0.000 0.433 180 C N -0.349 118.997 119.300 0.076 0.000 2.425 180 C HA -0.161 4.300 4.460 0.002 0.000 0.277 180 C C 2.894 177.916 174.990 0.052 0.000 1.280 180 C CA 0.753 59.806 59.018 0.059 0.000 1.744 180 C CB -0.594 27.198 27.740 0.088 0.000 1.989 180 C HN 0.491 nan 8.230 nan 0.000 0.491 181 M N 0.527 120.164 119.600 0.063 0.000 2.117 181 M HA -0.153 4.328 4.480 0.002 0.000 0.262 181 M C 1.784 178.104 176.300 0.034 0.000 1.065 181 M CA 1.667 56.996 55.300 0.048 0.000 1.114 181 M CB -0.574 32.054 32.600 0.047 0.000 1.361 181 M HN 0.378 nan 8.290 nan 0.000 0.408 182 D N 0.545 120.960 120.400 0.026 0.000 2.097 182 D HA -0.146 4.495 4.640 0.002 0.000 0.195 182 D C 1.940 178.248 176.300 0.013 0.000 0.989 182 D CA 1.213 55.221 54.000 0.013 0.000 0.827 182 D CB -0.384 40.417 40.800 0.001 0.000 0.966 182 D HN 0.229 nan 8.370 nan 0.000 0.456 183 L N 1.120 122.347 121.223 0.005 0.000 2.079 183 L HA -0.201 4.140 4.340 0.002 0.000 0.210 183 L C 2.222 179.114 176.870 0.038 0.000 1.081 183 L CA 1.682 56.519 54.840 -0.006 0.000 0.752 183 L CB -0.402 41.626 42.059 -0.052 0.000 0.896 183 L HN -0.021 nan 8.230 nan 0.000 0.433 184 Q N -0.988 118.838 119.800 0.044 0.000 2.119 184 Q HA -0.160 4.181 4.340 0.002 0.000 0.201 184 Q C 1.944 177.973 176.000 0.050 0.000 0.972 184 Q CA 1.424 57.260 55.803 0.055 0.000 0.847 184 Q CB -0.161 28.606 28.738 0.048 0.000 0.903 184 Q HN 0.570 nan 8.270 nan 0.000 0.433 185 N N 0.503 119.227 118.700 0.040 0.000 2.084 185 N HA -0.127 4.614 4.740 0.002 0.000 0.190 185 N C 1.716 177.255 175.510 0.048 0.000 1.030 185 N CA 1.007 54.080 53.050 0.038 0.000 0.849 185 N CB -0.223 38.279 38.487 0.026 0.000 1.012 185 N HN 0.103 nan 8.380 nan 0.000 0.423 186 L N 1.368 122.622 121.223 0.050 0.000 2.046 186 L HA -0.120 4.221 4.340 0.002 0.000 0.208 186 L C 2.277 179.198 176.870 0.085 0.000 1.077 186 L CA 1.423 56.305 54.840 0.071 0.000 0.747 186 L CB -0.733 41.367 42.059 0.069 0.000 0.896 186 L HN 0.062 nan 8.230 nan 0.000 0.432 187 K N 0.024 120.476 120.400 0.087 0.000 2.057 187 K HA -0.190 4.131 4.320 0.002 0.000 0.207 187 K C 2.320 178.957 176.600 0.061 0.000 1.049 187 K CA 1.461 57.803 56.287 0.092 0.000 0.931 187 K CB -0.235 32.338 32.500 0.121 0.000 0.714 187 K HN 0.131 nan 8.250 nan 0.000 0.440 188 R N -0.214 120.319 120.500 0.055 0.000 2.080 188 R HA -0.102 4.239 4.340 0.002 0.000 0.236 188 R C 1.967 178.293 176.300 0.044 0.000 1.137 188 R CA 1.834 57.959 56.100 0.042 0.000 0.943 188 R CB -0.396 29.928 30.300 0.040 0.000 0.846 188 R HN 0.093 nan 8.270 nan 0.000 0.431 189 V N 1.710 121.659 119.914 0.058 0.000 2.343 189 V HA -0.239 3.882 4.120 0.002 0.000 0.247 189 V C 2.703 178.839 176.094 0.069 0.000 1.051 189 V CA 1.948 64.290 62.300 0.070 0.000 1.036 189 V CB -0.774 31.103 31.823 0.090 0.000 0.654 189 V HN 0.398 nan 8.190 nan 0.000 0.451 190 R N 0.363 120.903 120.500 0.066 0.000 2.073 190 R HA -0.182 4.159 4.340 0.002 0.000 0.234 190 R C 1.936 178.233 176.300 -0.004 0.000 1.134 190 R CA 2.154 58.279 56.100 0.041 0.000 0.952 190 R CB -0.686 29.641 30.300 0.045 0.000 0.850 190 R HN 0.488 nan 8.270 nan 0.000 0.433 191 D N 0.484 120.882 120.400 -0.003 0.000 2.183 191 D HA -0.099 4.542 4.640 0.002 0.000 0.203 191 D C 0.894 177.182 176.300 -0.020 0.000 0.969 191 D CA 1.017 55.001 54.000 -0.028 0.000 0.842 191 D CB -0.173 40.616 40.800 -0.018 0.000 0.957 191 D HN 0.228 nan 8.370 nan 0.000 0.484 192 D N -0.161 120.241 120.400 0.004 0.000 2.339 192 D HA 0.035 4.676 4.640 0.002 0.000 0.217 192 D C 0.366 176.670 176.300 0.006 0.000 1.050 192 D CA -0.211 53.790 54.000 0.002 0.000 0.856 192 D CB 0.103 40.910 40.800 0.013 0.000 0.922 192 D HN 0.106 nan 8.370 nan 0.000 0.518 193 L N 1.615 122.862 121.223 0.040 0.000 2.477 193 L HA 0.092 4.433 4.340 0.002 0.000 0.272 193 L C 0.432 177.394 176.870 0.153 0.000 1.157 193 L CA 0.458 55.357 54.840 0.099 0.000 0.889 193 L CB 0.197 42.356 42.059 0.167 0.000 1.158 193 L HN -0.239 nan 8.230 nan 0.000 0.473 194 R N 3.447 123.936 120.500 -0.019 0.000 2.598 194 R HA 0.363 4.704 4.340 0.002 0.000 0.279 194 R C -0.876 175.391 176.300 -0.055 0.000 0.984 194 R CA -0.872 55.136 56.100 -0.154 0.000 0.999 194 R CB 1.253 31.060 30.300 -0.821 0.000 1.114 194 R HN 0.391 nan 8.270 nan 0.000 0.493 195 F N 1.932 121.731 119.950 -0.252 0.000 2.389 195 F HA 0.190 4.718 4.527 0.002 0.000 0.337 195 F C 1.700 177.498 175.800 -0.003 0.000 1.112 195 F CA -0.392 57.356 58.000 -0.419 0.000 1.192 195 F CB 0.969 39.651 39.000 -0.531 0.000 1.185 195 F HN 0.423 nan 8.300 nan 0.000 0.552 196 R N 2.871 123.122 120.500 -0.415 0.000 2.075 196 R HA 0.213 4.554 4.340 0.002 0.000 0.226 196 R C 1.104 177.337 176.300 -0.112 0.000 1.114 196 R CA 1.163 57.208 56.100 -0.093 0.000 0.972 196 R CB -0.660 29.554 30.300 -0.144 0.000 0.869 196 R HN 1.015 nan 8.270 nan 0.000 0.437 197 G N 0.032 108.591 108.800 -0.403 0.000 2.512 197 G HA2 -0.305 3.656 3.960 0.002 0.000 0.254 197 G HA3 -0.305 3.656 3.960 0.002 0.000 0.254 197 G C -0.340 174.641 174.900 0.136 0.000 1.199 197 G CA 0.049 45.186 45.100 0.061 0.000 0.941 197 G HN 0.685 nan 8.290 nan 0.000 0.569 198 V N -2.000 117.963 119.914 0.080 0.000 2.347 198 V HA 0.882 5.003 4.120 0.002 0.000 0.280 198 V C 0.529 176.618 176.094 -0.009 0.000 1.021 198 V CA -0.051 62.213 62.300 -0.060 0.000 0.847 198 V CB 1.430 32.891 31.823 -0.604 0.000 0.990 198 V HN 0.759 nan 8.190 nan 0.000 0.444 199 K N 3.282 123.774 120.400 0.152 0.000 2.511 199 K HA 0.454 4.775 4.320 0.002 0.000 0.209 199 K C 0.870 177.599 176.600 0.215 0.000 1.301 199 K CA 0.602 56.984 56.287 0.158 0.000 0.967 199 K CB 1.183 33.743 32.500 0.100 0.000 1.109 199 K HN 1.409 nan 8.250 nan 0.000 0.561 200 G N 0.887 109.856 108.800 0.283 0.000 2.728 200 G HA2 -0.287 3.674 3.960 0.002 0.000 0.294 200 G HA3 -0.287 3.674 3.960 0.002 0.000 0.294 200 G C 0.706 175.659 174.900 0.087 0.000 1.342 200 G CA 0.017 45.216 45.100 0.164 0.000 0.866 200 G HN -0.042 nan 8.290 nan 0.000 0.534 201 T N 0.159 114.736 114.554 0.038 0.000 2.708 201 T HA -0.034 4.317 4.350 0.002 0.000 0.266 201 T C 2.383 177.107 174.700 0.041 0.000 1.037 201 T CA 3.131 65.252 62.100 0.036 0.000 1.146 201 T CB -0.438 68.439 68.868 0.016 0.000 0.865 201 T HN 1.741 nan 8.240 nan 0.000 0.435 202 T N -1.991 112.586 114.554 0.039 0.000 3.182 202 T HA 0.542 4.893 4.350 0.002 0.000 0.277 202 T C 1.379 176.105 174.700 0.044 0.000 1.013 202 T CA 0.411 62.534 62.100 0.039 0.000 0.900 202 T CB 0.408 69.294 68.868 0.030 0.000 1.098 202 T HN 0.521 nan 8.240 nan 0.000 0.543 203 G N 1.628 110.462 108.800 0.055 0.000 2.157 203 G HA2 -0.313 3.648 3.960 0.002 0.000 0.239 203 G HA3 -0.313 3.648 3.960 0.002 0.000 0.239 203 G C 0.846 175.791 174.900 0.075 0.000 0.982 203 G CA 0.675 45.811 45.100 0.061 0.000 0.650 203 G HN 1.076 nan 8.290 nan 0.000 0.527 204 T N -2.667 111.933 114.554 0.078 0.000 3.069 204 T HA 0.383 4.734 4.350 0.002 0.000 0.252 204 T C 1.123 175.888 174.700 0.110 0.000 1.053 204 T CA 1.143 63.291 62.100 0.079 0.000 0.964 204 T CB -0.008 68.894 68.868 0.057 0.000 1.005 204 T HN 0.887 nan 8.240 nan 0.000 0.532 205 Q N -0.191 119.704 119.800 0.157 0.000 2.480 205 Q HA -0.273 4.068 4.340 0.002 0.000 0.265 205 Q C 1.420 177.539 176.000 0.199 0.000 1.072 205 Q CA 0.374 56.338 55.803 0.269 0.000 1.018 205 Q CB -1.961 26.928 28.738 0.251 0.000 1.433 205 Q HN 0.767 nan 8.270 nan 0.000 0.513 206 A N 0.115 122.990 122.820 0.090 0.000 1.933 206 A HA -0.222 4.099 4.320 0.002 0.000 0.218 206 A C 2.132 179.701 177.584 -0.026 0.000 1.175 206 A CA 1.802 53.861 52.037 0.035 0.000 0.628 206 A CB -0.501 18.504 19.000 0.008 0.000 0.814 206 A HN 0.683 nan 8.150 nan 0.000 0.444 207 S N -0.271 115.351 115.700 -0.130 0.000 2.359 207 S HA -0.170 4.301 4.470 0.002 0.000 0.224 207 S C 1.666 176.053 174.600 -0.356 0.000 1.035 207 S CA 1.596 59.605 58.200 -0.320 0.000 1.018 207 S CB -0.875 61.990 63.200 -0.558 0.000 0.876 207 S HN 0.425 nan 8.310 nan 0.000 0.448 208 F N 1.373 121.283 119.950 -0.066 0.000 2.206 208 F HA 0.223 4.751 4.527 0.002 0.000 0.298 208 F C 2.185 177.993 175.800 0.014 0.000 1.090 208 F CA 0.182 58.132 58.000 -0.083 0.000 1.323 208 F CB -0.777 38.256 39.000 0.056 0.000 1.028 208 F HN 0.175 nan 8.300 nan 0.000 0.492 209 L N 0.399 121.769 121.223 0.246 0.000 2.079 209 L HA -0.225 4.116 4.340 0.002 0.000 0.210 209 L C 2.411 179.352 176.870 0.118 0.000 1.081 209 L CA 1.802 56.768 54.840 0.210 0.000 0.752 209 L CB -0.928 41.219 42.059 0.147 0.000 0.896 209 L HN 0.245 nan 8.230 nan 0.000 0.433 210 Q N -0.925 118.889 119.800 0.023 0.000 2.079 210 Q HA -0.186 4.155 4.340 0.002 0.000 0.200 210 Q C 2.277 178.238 176.000 -0.065 0.000 0.974 210 Q CA 1.734 57.524 55.803 -0.022 0.000 0.840 210 Q CB -0.175 28.527 28.738 -0.061 0.000 0.898 210 Q HN 0.583 nan 8.270 nan 0.000 0.430 211 L N -0.402 120.718 121.223 -0.172 0.000 2.191 211 L HA -0.144 4.197 4.340 0.002 0.000 0.212 211 L C 1.138 177.813 176.870 -0.324 0.000 1.103 211 L CA 0.764 55.416 54.840 -0.314 0.000 0.769 211 L CB -0.074 41.681 42.059 -0.506 0.000 0.908 211 L HN 0.231 nan 8.230 nan 0.000 0.438 212 F N -0.461 119.517 119.950 0.048 0.000 2.641 212 F HA 0.126 4.654 4.527 0.002 0.000 0.302 212 F C 0.772 176.593 175.800 0.035 0.000 1.098 212 F CA -0.821 57.206 58.000 0.044 0.000 1.318 212 F CB -0.619 38.414 39.000 0.055 0.000 1.035 212 F HN 0.010 nan 8.300 nan 0.000 0.551 213 E N 0.076 120.359 120.200 0.139 0.000 2.297 213 E HA -0.251 4.100 4.350 0.002 0.000 0.228 213 E C 1.464 178.125 176.600 0.102 0.000 1.213 213 E CA 0.427 56.882 56.400 0.092 0.000 0.712 213 E CB -1.509 28.236 29.700 0.074 0.000 1.202 213 E HN 0.683 nan 8.360 nan 0.000 0.376 214 G N 0.490 109.362 108.800 0.120 0.000 2.176 214 G HA2 -0.334 3.627 3.960 0.002 0.000 0.253 214 G HA3 -0.334 3.627 3.960 0.002 0.000 0.253 214 G C -0.003 174.963 174.900 0.110 0.000 0.979 214 G CA 0.091 45.252 45.100 0.101 0.000 0.641 214 G HN 0.443 nan 8.290 nan 0.000 0.530 215 D N 1.138 121.622 120.400 0.139 0.000 2.367 215 D HA 0.348 4.989 4.640 0.002 0.000 0.255 215 D C 1.285 177.641 176.300 0.094 0.000 1.300 215 D CA -0.004 54.059 54.000 0.106 0.000 0.959 215 D CB -0.028 40.825 40.800 0.087 0.000 1.064 215 D HN 0.370 nan 8.370 nan 0.000 0.509 216 D N 1.157 121.610 120.400 0.090 0.000 2.178 216 D HA -0.184 4.457 4.640 0.002 0.000 0.201 216 D C 1.716 178.055 176.300 0.066 0.000 0.980 216 D CA 0.920 54.970 54.000 0.083 0.000 0.842 216 D CB 0.027 40.872 40.800 0.075 0.000 0.948 216 D HN 0.625 nan 8.370 nan 0.000 0.472 217 H N 0.920 119.959 119.070 -0.053 0.000 2.319 217 H HA -0.100 4.457 4.556 0.002 0.000 0.299 217 H C 1.639 176.866 175.328 -0.168 0.000 1.092 217 H CA 1.293 57.290 56.048 -0.086 0.000 1.302 217 H CB 0.279 29.996 29.762 -0.075 0.000 1.373 217 H HN 0.030 nan 8.280 nan 0.000 0.497 218 K N 0.031 120.215 120.400 -0.360 0.000 2.148 218 K HA -0.072 4.249 4.320 0.002 0.000 0.204 218 K C 2.253 178.420 176.600 -0.721 0.000 1.050 218 K CA 1.031 56.870 56.287 -0.746 0.000 0.942 218 K CB 0.204 32.035 32.500 -1.115 0.000 0.724 218 K HN 0.121 nan 8.250 nan 0.000 0.446 219 V N 1.769 121.489 119.914 -0.323 0.000 2.358 219 V HA -0.219 3.902 4.120 0.002 0.000 0.246 219 V C 2.021 178.057 176.094 -0.097 0.000 1.047 219 V CA 1.710 63.989 62.300 -0.035 0.000 1.035 219 V CB -0.351 31.561 31.823 0.149 0.000 0.658 219 V HN 0.320 nan 8.190 nan 0.000 0.452 220 E N -0.234 119.908 120.200 -0.096 0.000 2.072 220 E HA -0.247 4.104 4.350 0.002 0.000 0.191 220 E C 2.327 178.853 176.600 -0.124 0.000 0.985 220 E CA 1.187 57.546 56.400 -0.068 0.000 0.801 220 E CB -0.143 29.554 29.700 -0.005 0.000 0.750 220 E HN 0.672 nan 8.360 nan 0.000 0.452 221 Q N 0.425 120.080 119.800 -0.242 0.000 2.096 221 Q HA -0.183 4.158 4.340 0.002 0.000 0.204 221 Q C 2.321 178.217 176.000 -0.175 0.000 0.982 221 Q CA 0.979 56.630 55.803 -0.253 0.000 0.850 221 Q CB -0.138 28.357 28.738 -0.405 0.000 0.901 221 Q HN 0.156 nan 8.270 nan 0.000 0.422 222 L N 1.146 122.259 121.223 -0.184 0.000 2.046 222 L HA -0.192 4.149 4.340 0.002 0.000 0.208 222 L C 1.773 178.593 176.870 -0.083 0.000 1.077 222 L CA 1.949 56.726 54.840 -0.106 0.000 0.747 222 L CB -0.509 41.511 42.059 -0.065 0.000 0.896 222 L HN 0.124 nan 8.230 nan 0.000 0.432 223 D N -0.573 119.772 120.400 -0.092 0.000 2.144 223 D HA -0.186 4.455 4.640 0.002 0.000 0.199 223 D C 2.104 178.414 176.300 0.015 0.000 0.984 223 D CA 1.230 55.214 54.000 -0.026 0.000 0.834 223 D CB 0.129 40.919 40.800 -0.015 0.000 0.955 223 D HN 0.370 nan 8.370 nan 0.000 0.465 224 K N -0.587 119.798 120.400 -0.025 0.000 2.062 224 K HA -0.023 4.298 4.320 0.002 0.000 0.205 224 K C 2.355 178.920 176.600 -0.058 0.000 1.051 224 K CA 0.660 56.928 56.287 -0.032 0.000 0.941 224 K CB -0.086 32.387 32.500 -0.045 0.000 0.719 224 K HN 0.204 nan 8.250 nan 0.000 0.440 225 M N 0.865 120.427 119.600 -0.064 0.000 2.086 225 M HA -0.177 4.304 4.480 0.002 0.000 0.261 225 M C 2.380 178.620 176.300 -0.099 0.000 1.067 225 M CA 1.633 56.886 55.300 -0.078 0.000 1.116 225 M CB -0.368 32.198 32.600 -0.057 0.000 1.348 225 M HN 0.075 nan 8.290 nan 0.000 0.407 226 V N -3.615 116.288 119.914 -0.020 0.000 2.453 226 V HA -0.131 3.990 4.120 0.002 0.000 0.247 226 V C 2.010 178.022 176.094 -0.137 0.000 1.048 226 V CA 2.010 64.327 62.300 0.028 0.000 1.049 226 V CB -1.507 30.500 31.823 0.306 0.000 0.672 226 V HN 0.361 nan 8.190 nan 0.000 0.457 227 T N 0.461 114.963 114.554 -0.086 0.000 2.665 227 T HA -0.257 4.094 4.350 0.002 0.000 0.268 227 T C 1.823 176.285 174.700 -0.397 0.000 1.035 227 T CA 2.482 64.391 62.100 -0.319 0.000 1.151 227 T CB -0.304 68.552 68.868 -0.019 0.000 0.862 227 T HN 0.779 nan 8.240 nan 0.000 0.438 228 E N 0.603 120.647 120.200 -0.260 0.000 2.072 228 E HA -0.094 4.257 4.350 0.002 0.000 0.191 228 E C 2.204 178.578 176.600 -0.376 0.000 0.985 228 E CA 0.935 57.185 56.400 -0.249 0.000 0.801 228 E CB 0.030 29.626 29.700 -0.175 0.000 0.750 228 E HN 0.358 nan 8.360 nan 0.000 0.452 229 K N -0.108 119.979 120.400 -0.521 0.000 2.113 229 K HA -0.148 4.173 4.320 0.002 0.000 0.208 229 K C 1.847 177.711 176.600 -1.226 0.000 1.047 229 K CA 1.160 56.893 56.287 -0.923 0.000 0.928 229 K CB -0.103 31.618 32.500 -1.297 0.000 0.716 229 K HN 0.127 nan 8.250 nan 0.000 0.446 230 A N 0.101 122.351 122.820 -0.949 0.000 2.238 230 A HA 0.168 4.489 4.320 0.002 0.000 0.208 230 A C 1.317 178.808 177.584 -0.156 0.000 1.177 230 A CA 0.810 52.515 52.037 -0.554 0.000 0.804 230 A CB -0.317 18.276 19.000 -0.679 0.000 0.823 230 A HN 0.422 nan 8.150 nan 0.000 0.482 231 G N -2.047 106.611 108.800 -0.238 0.000 2.143 231 G HA2 -0.250 3.711 3.960 0.002 0.000 0.248 231 G HA3 -0.250 3.711 3.960 0.002 0.000 0.248 231 G C -0.145 174.615 174.900 -0.233 0.000 0.991 231 G CA 0.237 45.227 45.100 -0.184 0.000 0.689 231 G HN 0.307 nan 8.290 nan 0.000 0.522 232 F N 0.034 119.785 119.950 -0.330 0.000 2.422 232 F HA 0.561 5.089 4.527 0.001 0.000 0.333 232 F C 1.546 177.233 175.800 -0.187 0.000 1.095 232 F CA -0.824 57.031 58.000 -0.242 0.000 1.038 232 F CB 1.502 40.330 39.000 -0.286 0.000 1.156 232 F HN -0.106 nan 8.300 nan 0.000 0.483 233 K N 1.017 121.419 120.400 0.004 0.000 2.243 233 K HA 0.073 4.394 4.320 0.002 0.000 0.201 233 K C 0.520 177.127 176.600 0.012 0.000 1.051 233 K CA 0.645 56.920 56.287 -0.021 0.000 0.970 233 K CB 0.437 32.908 32.500 -0.048 0.000 0.755 233 K HN 0.455 nan 8.250 nan 0.000 0.465 234 R N -0.011 120.526 120.500 0.061 0.000 2.604 234 R HA 0.451 4.792 4.340 0.002 0.000 0.281 234 R C -1.884 174.447 176.300 0.053 0.000 1.020 234 R CA -0.390 55.727 56.100 0.029 0.000 0.899 234 R CB 1.925 32.212 30.300 -0.021 0.000 1.205 234 R HN 0.029 nan 8.270 nan 0.000 0.450 235 A N 3.294 126.138 122.820 0.040 0.000 2.311 235 A HA 0.623 4.944 4.320 0.002 0.000 0.334 235 A C -0.948 176.635 177.584 -0.001 0.000 1.139 235 A CA -0.639 51.443 52.037 0.076 0.000 0.830 235 A CB 0.477 19.573 19.000 0.160 0.000 1.234 235 A HN 0.588 nan 8.150 nan 0.000 0.483 236 F N 0.415 120.404 119.950 0.065 0.000 2.545 236 F HA 0.158 4.686 4.527 0.001 0.000 0.348 236 F C 1.525 177.356 175.800 0.052 0.000 1.163 236 F CA 0.521 58.554 58.000 0.055 0.000 1.331 236 F CB 0.456 39.487 39.000 0.051 0.000 1.138 236 F HN 0.440 nan 8.300 nan 0.000 0.602 237 I N 1.691 122.414 120.570 0.255 0.000 2.556 237 I HA -0.032 4.139 4.170 0.002 0.000 0.251 237 I C 0.377 176.593 176.117 0.165 0.000 1.105 237 I CA 0.633 62.033 61.300 0.167 0.000 1.436 237 I CB 0.065 38.137 38.000 0.119 0.000 1.139 237 I HN 0.246 nan 8.210 nan 0.000 0.438 238 I N 2.631 123.315 120.570 0.190 0.000 2.312 238 I HA 0.221 4.392 4.170 0.002 0.000 0.290 238 I C 0.209 176.349 176.117 0.038 0.000 1.008 238 I CA 0.204 61.572 61.300 0.114 0.000 1.226 238 I CB 0.551 38.613 38.000 0.103 0.000 1.371 238 I HN 0.187 nan 8.210 nan 0.000 0.468 239 T N 1.787 116.340 114.554 -0.002 0.000 2.901 239 T HA 0.777 5.128 4.350 0.002 0.000 0.293 239 T C 0.314 174.998 174.700 -0.027 0.000 1.084 239 T CA -0.605 61.443 62.100 -0.087 0.000 1.008 239 T CB 2.135 70.936 68.868 -0.112 0.000 1.170 239 T HN 0.556 nan 8.240 nan 0.000 0.509 240 G N -0.339 108.437 108.800 -0.040 0.000 2.873 240 G HA2 0.218 4.179 3.960 0.002 0.000 0.170 240 G HA3 0.218 4.179 3.960 0.002 0.000 0.170 240 G C 0.734 175.632 174.900 -0.004 0.000 1.608 240 G CA 0.229 45.328 45.100 -0.001 0.000 1.084 240 G HN 0.878 nan 8.290 nan 0.000 0.563 241 Q N -0.703 119.096 119.800 -0.001 0.000 2.119 241 Q HA 0.006 4.347 4.340 0.002 0.000 0.201 241 Q C 1.269 177.245 176.000 -0.041 0.000 0.972 241 Q CA 1.474 57.276 55.803 -0.001 0.000 0.847 241 Q CB -0.200 28.543 28.738 0.007 0.000 0.903 241 Q HN 0.593 nan 8.270 nan 0.000 0.433 242 T N -2.158 112.339 114.554 -0.095 0.000 2.950 242 T HA 0.351 4.702 4.350 0.002 0.000 0.288 242 T C -0.240 174.334 174.700 -0.210 0.000 1.035 242 T CA -0.977 61.014 62.100 -0.181 0.000 1.028 242 T CB 0.680 69.382 68.868 -0.277 0.000 1.109 242 T HN 0.233 nan 8.240 nan 0.000 0.514 243 Y N 0.057 120.225 120.300 -0.220 0.000 2.497 243 Y HA 0.434 4.985 4.550 0.001 0.000 0.334 243 Y C 0.874 176.601 175.900 -0.288 0.000 1.199 243 Y CA -1.065 56.801 58.100 -0.390 0.000 1.425 243 Y CB -0.426 37.892 38.460 -0.238 0.000 1.291 243 Y HN 0.834 nan 8.280 nan 0.000 0.562 244 T N 4.293 118.736 114.554 -0.186 0.000 2.908 244 T HA 0.035 4.387 4.350 0.002 0.000 0.301 244 T C 1.103 175.844 174.700 0.067 0.000 1.019 244 T CA -0.534 61.521 62.100 -0.074 0.000 1.152 244 T CB 0.210 69.053 68.868 -0.041 0.000 0.966 244 T HN 0.759 nan 8.240 nan 0.000 0.540 245 R N 3.586 124.069 120.500 -0.028 0.000 2.316 245 R HA 0.042 4.383 4.340 0.002 0.000 0.202 245 R C 2.147 178.501 176.300 0.090 0.000 1.029 245 R CA 0.541 56.646 56.100 0.007 0.000 1.018 245 R CB -0.423 29.839 30.300 -0.063 0.000 0.888 245 R HN 0.710 nan 8.270 nan 0.000 0.471 246 K N 0.667 121.123 120.400 0.094 0.000 2.211 246 K HA -0.093 4.228 4.320 0.002 0.000 0.204 246 K C 1.677 178.368 176.600 0.152 0.000 1.047 246 K CA 0.918 57.268 56.287 0.106 0.000 0.935 246 K CB 0.119 32.678 32.500 0.097 0.000 0.728 246 K HN -0.073 nan 8.250 nan 0.000 0.452 247 V N 1.900 121.952 119.914 0.230 0.000 2.332 247 V HA -0.279 3.842 4.120 0.002 0.000 0.248 247 V C 1.590 177.815 176.094 0.217 0.000 1.055 247 V CA 2.137 64.584 62.300 0.244 0.000 1.038 247 V CB -0.430 31.566 31.823 0.289 0.000 0.651 247 V HN 0.393 nan 8.190 nan 0.000 0.450 248 D N -0.213 120.337 120.400 0.249 0.000 2.144 248 D HA -0.095 4.546 4.640 0.002 0.000 0.200 248 D C 2.035 178.409 176.300 0.123 0.000 0.978 248 D CA 1.189 55.309 54.000 0.200 0.000 0.833 248 D CB -0.180 40.728 40.800 0.180 0.000 0.961 248 D HN 0.419 nan 8.370 nan 0.000 0.470 249 I N 1.175 121.802 120.570 0.096 0.000 2.226 249 I HA -0.211 3.960 4.170 0.002 0.000 0.245 249 I C 2.253 178.405 176.117 0.058 0.000 1.100 249 I CA 0.939 62.273 61.300 0.058 0.000 1.374 249 I CB -0.107 37.921 38.000 0.047 0.000 1.057 249 I HN -0.129 nan 8.210 nan 0.000 0.413 250 E N 0.544 120.792 120.200 0.080 0.000 2.085 250 E HA -0.157 4.194 4.350 0.002 0.000 0.194 250 E C 2.410 179.054 176.600 0.072 0.000 0.994 250 E CA 1.170 57.615 56.400 0.074 0.000 0.801 250 E CB -0.489 29.266 29.700 0.092 0.000 0.743 250 E HN 0.345 nan 8.360 nan 0.000 0.453 251 V N 0.737 120.711 119.914 0.101 0.000 2.346 251 V HA -0.179 3.942 4.120 0.002 0.000 0.244 251 V C 2.291 178.400 176.094 0.025 0.000 1.037 251 V CA 1.037 63.406 62.300 0.114 0.000 1.029 251 V CB -0.356 31.603 31.823 0.228 0.000 0.663 251 V HN 0.130 nan 8.190 nan 0.000 0.454 252 L N 0.012 121.243 121.223 0.014 0.000 2.291 252 L HA -0.033 4.308 4.340 0.002 0.000 0.214 252 L C 2.504 179.335 176.870 -0.065 0.000 1.120 252 L CA 1.436 56.239 54.840 -0.063 0.000 0.799 252 L CB -0.813 41.219 42.059 -0.045 0.000 0.925 252 L HN 0.222 nan 8.230 nan 0.000 0.446 253 S N -0.770 114.913 115.700 -0.027 0.000 2.368 253 S HA -0.142 4.329 4.470 0.002 0.000 0.224 253 S C 2.059 176.639 174.600 -0.034 0.000 1.029 253 S CA 1.432 59.615 58.200 -0.028 0.000 0.988 253 S CB -0.354 62.843 63.200 -0.005 0.000 0.838 253 S HN 0.438 nan 8.310 nan 0.000 0.462 254 V N 0.567 120.465 119.914 -0.026 0.000 2.453 254 V HA -0.025 4.096 4.120 0.002 0.000 0.247 254 V C 1.905 177.962 176.094 -0.061 0.000 1.048 254 V CA 1.324 63.608 62.300 -0.027 0.000 1.049 254 V CB -1.038 30.784 31.823 -0.001 0.000 0.672 254 V HN 0.410 nan 8.190 nan 0.000 0.457 255 L N 0.803 121.960 121.223 -0.110 0.000 2.046 255 L HA -0.047 4.294 4.340 0.002 0.000 0.208 255 L C 3.099 179.895 176.870 -0.123 0.000 1.077 255 L CA 1.692 56.435 54.840 -0.161 0.000 0.747 255 L CB -0.994 40.892 42.059 -0.289 0.000 0.896 255 L HN 0.434 nan 8.230 nan 0.000 0.432 256 A N -0.777 121.979 122.820 -0.107 0.000 1.902 256 A HA -0.246 4.075 4.320 0.002 0.000 0.217 256 A C 2.561 180.104 177.584 -0.069 0.000 1.181 256 A CA 2.180 54.163 52.037 -0.091 0.000 0.623 256 A CB -0.710 18.240 19.000 -0.084 0.000 0.818 256 A HN 0.360 nan 8.150 nan 0.000 0.443 257 S N -0.855 114.812 115.700 -0.054 0.000 2.368 257 S HA -0.130 4.341 4.470 0.002 0.000 0.224 257 S C 1.926 176.506 174.600 -0.035 0.000 1.029 257 S CA 1.389 59.566 58.200 -0.038 0.000 0.988 257 S CB -0.484 62.701 63.200 -0.025 0.000 0.838 257 S HN 0.500 nan 8.310 nan 0.000 0.462 258 L N 1.975 123.173 121.223 -0.042 0.000 2.013 258 L HA 0.004 4.345 4.340 0.002 0.000 0.212 258 L C 2.304 179.148 176.870 -0.043 0.000 1.073 258 L CA 2.415 57.231 54.840 -0.041 0.000 0.753 258 L CB -1.412 40.614 42.059 -0.054 0.000 0.890 258 L HN 0.364 nan 8.230 nan 0.000 0.432 259 G N -1.157 107.611 108.800 -0.054 0.000 2.446 259 G HA2 -0.308 3.653 3.960 0.002 0.000 0.217 259 G HA3 -0.308 3.653 3.960 0.002 0.000 0.217 259 G C 1.615 176.508 174.900 -0.012 0.000 1.168 259 G CA 1.052 46.127 45.100 -0.040 0.000 0.771 259 G HN 0.691 nan 8.290 nan 0.000 0.551 260 A N 0.714 123.516 122.820 -0.030 0.000 1.908 260 A HA -0.023 4.299 4.320 0.002 0.000 0.218 260 A C 2.731 180.316 177.584 0.002 0.000 1.181 260 A CA 2.365 54.386 52.037 -0.026 0.000 0.627 260 A CB -0.713 18.260 19.000 -0.045 0.000 0.818 260 A HN 0.334 nan 8.150 nan 0.000 0.445 261 S N -0.432 115.264 115.700 -0.007 0.000 2.353 261 S HA -0.151 4.320 4.470 0.002 0.000 0.222 261 S C 1.901 176.483 174.600 -0.030 0.000 1.035 261 S CA 1.562 59.760 58.200 -0.003 0.000 1.025 261 S CB -0.589 62.611 63.200 0.001 0.000 0.902 261 S HN 0.348 nan 8.310 nan 0.000 0.440 262 V N 1.756 121.644 119.914 -0.043 0.000 2.407 262 V HA -0.188 3.933 4.120 0.002 0.000 0.248 262 V C 2.359 178.389 176.094 -0.105 0.000 1.055 262 V CA 1.762 64.007 62.300 -0.093 0.000 1.049 262 V CB -0.795 30.976 31.823 -0.087 0.000 0.662 262 V HN 0.587 nan 8.190 nan 0.000 0.455 263 H N 0.504 119.499 119.070 -0.125 0.000 2.387 263 H HA -0.147 4.411 4.556 0.003 0.000 0.299 263 H C 2.424 177.668 175.328 -0.141 0.000 1.090 263 H CA 1.899 57.872 56.048 -0.125 0.000 1.332 263 H CB 0.113 29.817 29.762 -0.097 0.000 1.386 263 H HN 0.280 nan 8.280 nan 0.000 0.516 264 K N 0.965 121.386 120.400 0.035 0.000 2.025 264 K HA -0.079 4.242 4.320 0.002 0.000 0.207 264 K C 2.482 178.982 176.600 -0.167 0.000 1.049 264 K CA 1.058 57.333 56.287 -0.020 0.000 0.933 264 K CB -0.326 32.183 32.500 0.015 0.000 0.714 264 K HN 0.314 nan 8.250 nan 0.000 0.438 265 I N 0.781 121.177 120.570 -0.290 0.000 2.163 265 I HA -0.366 3.805 4.170 0.002 0.000 0.243 265 I C 2.593 178.292 176.117 -0.697 0.000 1.085 265 I CA 1.188 62.063 61.300 -0.708 0.000 1.347 265 I CB -0.323 37.273 38.000 -0.672 0.000 1.044 265 I HN 0.192 nan 8.210 nan 0.000 0.408 266 C N 0.052 119.072 119.300 -0.468 0.000 2.446 266 C HA -0.104 4.357 4.460 0.002 0.000 0.279 266 C C 2.988 177.770 174.990 -0.347 0.000 1.366 266 C CA 1.165 59.940 59.018 -0.405 0.000 1.763 266 C CB -1.086 26.449 27.740 -0.342 0.000 1.929 266 C HN 0.516 nan 8.230 nan 0.000 0.509 267 T N 0.896 115.258 114.554 -0.320 0.000 2.708 267 T HA -0.149 4.202 4.350 0.002 0.000 0.266 267 T C 1.334 175.904 174.700 -0.218 0.000 1.037 267 T CA 1.727 63.678 62.100 -0.249 0.000 1.146 267 T CB -0.385 68.380 68.868 -0.171 0.000 0.865 267 T HN 0.486 nan 8.240 nan 0.000 0.435 268 D N 1.008 121.288 120.400 -0.199 0.000 2.104 268 D HA -0.050 4.591 4.640 0.002 0.000 0.194 268 D C 2.048 178.295 176.300 -0.088 0.000 0.994 268 D CA 0.849 54.796 54.000 -0.089 0.000 0.830 268 D CB -0.418 40.465 40.800 0.137 0.000 0.959 268 D HN 0.365 nan 8.370 nan 0.000 0.452 269 I N 0.459 120.885 120.570 -0.240 0.000 2.226 269 I HA -0.254 3.917 4.170 0.002 0.000 0.245 269 I C 2.406 178.450 176.117 -0.122 0.000 1.100 269 I CA 1.049 62.235 61.300 -0.190 0.000 1.374 269 I CB -0.133 37.670 38.000 -0.328 0.000 1.057 269 I HN -0.069 nan 8.210 nan 0.000 0.413 270 R N 0.470 120.875 120.500 -0.158 0.000 2.120 270 R HA -0.101 4.240 4.340 0.002 0.000 0.234 270 R C 2.265 178.512 176.300 -0.087 0.000 1.123 270 R CA 1.148 57.174 56.100 -0.123 0.000 0.975 270 R CB -0.247 29.966 30.300 -0.146 0.000 0.866 270 R HN 0.348 nan 8.270 nan 0.000 0.446 271 L N 0.207 121.363 121.223 -0.111 0.000 2.072 271 L HA -0.125 4.216 4.340 0.002 0.000 0.205 271 L C 2.243 179.124 176.870 0.018 0.000 1.079 271 L CA 0.993 55.772 54.840 -0.101 0.000 0.752 271 L CB -0.381 41.481 42.059 -0.328 0.000 0.906 271 L HN 0.176 nan 8.230 nan 0.000 0.436 272 L N -0.165 121.089 121.223 0.053 0.000 2.042 272 L HA -0.230 4.111 4.340 0.002 0.000 0.210 272 L C 2.902 179.834 176.870 0.104 0.000 1.076 272 L CA 1.214 56.135 54.840 0.135 0.000 0.749 272 L CB -0.770 41.400 42.059 0.184 0.000 0.893 272 L HN 0.262 nan 8.230 nan 0.000 0.432 273 A N 0.256 123.103 122.820 0.046 0.000 1.908 273 A HA -0.276 4.045 4.320 0.002 0.000 0.218 273 A C 2.188 179.780 177.584 0.014 0.000 1.181 273 A CA 2.088 54.138 52.037 0.022 0.000 0.627 273 A CB -0.865 18.121 19.000 -0.023 0.000 0.818 273 A HN 0.565 nan 8.150 nan 0.000 0.445 274 N N 0.418 119.128 118.700 0.017 0.000 2.104 274 N HA -0.136 4.605 4.740 0.002 0.000 0.190 274 N C 1.548 177.085 175.510 0.045 0.000 1.024 274 N CA 1.637 54.701 53.050 0.024 0.000 0.853 274 N CB -0.251 38.260 38.487 0.041 0.000 1.008 274 N HN 0.512 nan 8.380 nan 0.000 0.424 275 L N 0.657 121.931 121.223 0.086 0.000 2.622 275 L HA 0.065 4.406 4.340 0.002 0.000 0.233 275 L C 0.724 177.650 176.870 0.092 0.000 1.156 275 L CA 0.376 55.281 54.840 0.110 0.000 0.866 275 L CB -0.176 41.993 42.059 0.183 0.000 0.980 275 L HN 0.154 nan 8.230 nan 0.000 0.448 276 K N -0.713 119.726 120.400 0.064 0.000 3.274 276 K HA -0.254 4.067 4.320 0.002 0.000 0.300 276 K C 0.786 177.482 176.600 0.160 0.000 1.230 276 K CA 1.083 57.391 56.287 0.034 0.000 0.884 276 K CB -1.430 31.033 32.500 -0.062 0.000 1.242 276 K HN 0.495 nan 8.250 nan 0.000 0.467 277 E N -0.146 120.181 120.200 0.211 0.000 2.250 277 E HA 0.131 4.482 4.350 0.002 0.000 0.192 277 E C 0.704 177.477 176.600 0.289 0.000 0.986 277 E CA 0.501 57.059 56.400 0.262 0.000 0.849 277 E CB 0.311 30.145 29.700 0.225 0.000 0.797 277 E HN 0.304 nan 8.360 nan 0.000 0.482 278 M N 0.660 120.407 119.600 0.245 0.000 2.484 278 M HA 0.275 4.756 4.480 0.002 0.000 0.289 278 M C -1.884 174.486 176.300 0.116 0.000 1.206 278 M CA -0.328 55.070 55.300 0.163 0.000 0.892 278 M CB 2.619 35.313 32.600 0.157 0.000 1.712 278 M HN -0.243 nan 8.290 nan 0.000 0.462 279 E N 1.432 121.641 120.200 0.016 0.000 2.383 279 E HA 0.327 4.678 4.350 0.002 0.000 0.275 279 E C -1.492 175.000 176.600 -0.180 0.000 0.918 279 E CA -0.901 55.468 56.400 -0.052 0.000 0.764 279 E CB 2.402 32.106 29.700 0.007 0.000 1.252 279 E HN 0.615 nan 8.360 nan 0.000 0.449 280 E N 1.731 121.825 120.200 -0.177 0.000 2.408 280 E HA 0.103 4.455 4.350 0.002 0.000 0.259 280 E C -2.245 174.183 176.600 -0.287 0.000 1.110 280 E CA -1.533 54.747 56.400 -0.201 0.000 0.929 280 E CB 0.031 29.643 29.700 -0.148 0.000 0.971 280 E HN 0.121 nan 8.360 nan 0.000 0.438 281 P HA -0.098 nan 4.420 nan 0.000 0.266 281 P C -0.723 176.445 177.300 -0.221 0.000 1.193 281 P CA 0.416 63.360 63.100 -0.260 0.000 0.770 281 P CB 0.251 31.881 31.700 -0.118 0.000 0.836 282 F N 1.035 120.987 119.950 0.003 0.000 2.518 282 F HA 0.129 4.657 4.527 0.002 0.000 0.359 282 F C 1.538 177.342 175.800 0.007 0.000 1.118 282 F CA 0.689 58.696 58.000 0.012 0.000 1.287 282 F CB -0.033 38.979 39.000 0.021 0.000 1.132 282 F HN 0.322 nan 8.300 nan 0.000 0.587 294 Y N 2.191 122.516 120.300 0.041 0.000 2.114 294 Y HA 0.098 4.649 4.550 0.002 0.000 0.284 294 Y C 0.967 176.884 175.900 0.028 0.000 1.119 294 Y CA 1.262 59.377 58.100 0.025 0.000 1.108 294 Y CB 0.391 38.855 38.460 0.006 0.000 0.995 294 Y HN 0.133 nan 8.280 nan 0.000 0.491 295 K N 2.843 123.264 120.400 0.034 0.000 2.278 295 K HA 0.139 4.460 4.320 0.002 0.000 0.289 295 K C -1.075 175.499 176.600 -0.045 0.000 1.080 295 K CA -0.016 56.232 56.287 -0.064 0.000 0.934 295 K CB 0.059 32.600 32.500 0.069 0.000 1.093 295 K HN 0.333 nan 8.250 nan 0.000 0.459 296 R N 3.126 123.570 120.500 -0.093 0.000 2.562 296 R HA 0.328 4.669 4.340 0.002 0.000 0.298 296 R C -0.665 175.606 176.300 -0.049 0.000 0.961 296 R CA -0.982 55.095 56.100 -0.038 0.000 0.881 296 R CB 1.348 31.640 30.300 -0.014 0.000 1.159 296 R HN 0.527 nan 8.270 nan 0.000 0.450 297 N N 3.189 121.870 118.700 -0.032 0.000 2.399 297 N HA 0.257 4.998 4.740 0.002 0.000 0.295 297 N C -2.279 173.202 175.510 -0.049 0.000 1.048 297 N CA -1.699 51.328 53.050 -0.039 0.000 0.886 297 N CB 1.688 40.158 38.487 -0.028 0.000 1.185 297 N HN 0.334 nan 8.380 nan 0.000 0.487 298 P HA 0.093 nan 4.420 nan 0.000 0.226 298 P C 0.660 177.909 177.300 -0.085 0.000 1.783 298 P CA -0.139 62.911 63.100 -0.083 0.000 0.980 298 P CB 0.165 31.808 31.700 -0.095 0.000 1.967 299 M N 1.815 121.375 119.600 -0.066 0.000 2.132 299 M HA -0.075 4.406 4.480 0.002 0.000 0.263 299 M C 2.080 178.339 176.300 -0.067 0.000 1.065 299 M CA 1.798 57.065 55.300 -0.056 0.000 1.122 299 M CB -0.375 32.206 32.600 -0.033 0.000 1.365 299 M HN -0.106 nan 8.290 nan 0.000 0.411 300 R N -0.885 119.571 120.500 -0.072 0.000 2.091 300 R HA -0.092 4.249 4.340 0.002 0.000 0.238 300 R C 2.234 178.463 176.300 -0.118 0.000 1.136 300 R CA 1.840 57.891 56.100 -0.082 0.000 0.959 300 R CB -0.629 29.622 30.300 -0.081 0.000 0.856 300 R HN 0.390 nan 8.270 nan 0.000 0.437 301 S N 0.556 116.170 115.700 -0.142 0.000 2.383 301 S HA -0.126 4.345 4.470 0.002 0.000 0.227 301 S C 1.661 176.145 174.600 -0.193 0.000 1.026 301 S CA 1.097 59.185 58.200 -0.186 0.000 0.981 301 S CB -0.065 63.011 63.200 -0.207 0.000 0.818 301 S HN 0.358 nan 8.310 nan 0.000 0.472 302 E N 0.874 120.980 120.200 -0.157 0.000 2.077 302 E HA -0.176 4.175 4.350 0.002 0.000 0.193 302 E C 2.304 178.819 176.600 -0.142 0.000 0.989 302 E CA 0.867 57.178 56.400 -0.148 0.000 0.800 302 E CB -0.108 29.530 29.700 -0.104 0.000 0.746 302 E HN 0.323 nan 8.360 nan 0.000 0.452 303 R N 0.412 120.839 120.500 -0.121 0.000 2.073 303 R HA -0.157 4.184 4.340 0.002 0.000 0.234 303 R C 2.317 178.516 176.300 -0.169 0.000 1.134 303 R CA 1.696 57.719 56.100 -0.129 0.000 0.952 303 R CB -0.400 29.846 30.300 -0.091 0.000 0.850 303 R HN 0.237 nan 8.270 nan 0.000 0.433 304 C N -0.153 119.047 119.300 -0.166 0.000 2.413 304 C HA -0.148 4.313 4.460 0.002 0.000 0.276 304 C C 2.949 177.833 174.990 -0.177 0.000 1.248 304 C CA 0.572 59.488 59.018 -0.170 0.000 1.742 304 C CB -1.008 26.628 27.740 -0.173 0.000 2.017 304 C HN 0.698 nan 8.230 nan 0.000 0.481 305 C N -0.518 118.637 119.300 -0.241 0.000 2.429 305 C HA -0.109 4.352 4.460 0.002 0.000 0.277 305 C C 3.157 178.089 174.990 -0.097 0.000 1.262 305 C CA 1.657 60.475 59.018 -0.332 0.000 1.733 305 C CB -1.487 25.902 27.740 -0.585 0.000 2.010 305 C HN 0.724 nan 8.230 nan 0.000 0.483 306 S N 0.302 115.936 115.700 -0.110 0.000 2.359 306 S HA -0.111 4.360 4.470 0.002 0.000 0.224 306 S C 1.707 176.269 174.600 -0.064 0.000 1.035 306 S CA 1.483 59.642 58.200 -0.068 0.000 1.018 306 S CB -0.259 62.880 63.200 -0.102 0.000 0.876 306 S HN 0.581 nan 8.310 nan 0.000 0.448 307 L N 0.829 121.978 121.223 -0.123 0.000 2.109 307 L HA -0.003 4.338 4.340 0.002 0.000 0.207 307 L C 2.843 179.694 176.870 -0.031 0.000 1.086 307 L CA 1.013 55.783 54.840 -0.118 0.000 0.760 307 L CB -0.665 41.266 42.059 -0.214 0.000 0.910 307 L HN 0.356 nan 8.230 nan 0.000 0.437 308 A N 0.325 123.130 122.820 -0.026 0.000 1.908 308 A HA -0.280 4.041 4.320 0.002 0.000 0.218 308 A C 2.437 180.038 177.584 0.029 0.000 1.181 308 A CA 1.993 54.034 52.037 0.007 0.000 0.627 308 A CB -0.651 18.374 19.000 0.043 0.000 0.818 308 A HN 0.373 nan 8.150 nan 0.000 0.445 309 R N -1.531 119.016 120.500 0.077 0.000 2.105 309 R HA -0.239 4.102 4.340 0.002 0.000 0.239 309 R C 2.156 178.471 176.300 0.024 0.000 1.135 309 R CA 2.042 58.163 56.100 0.035 0.000 0.967 309 R CB -0.445 29.894 30.300 0.064 0.000 0.861 309 R HN 0.720 nan 8.270 nan 0.000 0.442 310 H N -0.096 118.941 119.070 -0.056 0.000 2.389 310 H HA -0.081 4.476 4.556 0.002 0.000 0.299 310 H C 1.717 177.003 175.328 -0.071 0.000 1.081 310 H CA 1.482 57.492 56.048 -0.063 0.000 1.345 310 H CB -0.097 29.624 29.762 -0.070 0.000 1.393 310 H HN 0.129 nan 8.280 nan 0.000 0.520 311 L N 0.016 121.184 121.223 -0.092 0.000 2.042 311 L HA -0.191 4.150 4.340 0.002 0.000 0.210 311 L C 2.267 179.043 176.870 -0.157 0.000 1.076 311 L CA 1.807 56.557 54.840 -0.149 0.000 0.749 311 L CB -0.672 41.326 42.059 -0.102 0.000 0.893 311 L HN 0.434 nan 8.230 nan 0.000 0.432 312 M N -2.224 117.304 119.600 -0.119 0.000 2.175 312 M HA -0.166 4.315 4.480 0.002 0.000 0.264 312 M C 2.024 178.250 176.300 -0.124 0.000 1.063 312 M CA 1.790 57.024 55.300 -0.111 0.000 1.119 312 M CB -0.616 31.923 32.600 -0.102 0.000 1.377 312 M HN 0.187 nan 8.290 nan 0.000 0.415 313 T N 1.375 115.844 114.554 -0.142 0.000 2.746 313 T HA -0.099 4.252 4.350 0.002 0.000 0.267 313 T C 1.748 176.339 174.700 -0.181 0.000 1.039 313 T CA 1.105 63.119 62.100 -0.144 0.000 1.142 313 T CB -0.315 68.477 68.868 -0.126 0.000 0.866 313 T HN 0.330 nan 8.240 nan 0.000 0.444 314 L N 0.916 121.975 121.223 -0.273 0.000 2.456 314 L HA -0.007 4.334 4.340 0.002 0.000 0.224 314 L C 2.479 179.262 176.870 -0.145 0.000 1.148 314 L CA 0.285 54.975 54.840 -0.250 0.000 0.825 314 L CB -0.417 41.450 42.059 -0.321 0.000 0.937 314 L HN 0.148 nan 8.230 nan 0.000 0.450 315 V N 0.035 119.877 119.914 -0.120 0.000 2.626 315 V HA -0.250 3.871 4.120 0.002 0.000 0.252 315 V C 2.329 178.387 176.094 -0.059 0.000 1.067 315 V CA 1.299 63.551 62.300 -0.079 0.000 1.081 315 V CB -0.065 31.717 31.823 -0.069 0.000 0.686 315 V HN 0.381 nan 8.190 nan 0.000 0.468 316 M N -0.922 118.640 119.600 -0.064 0.000 2.476 316 M HA -0.049 4.432 4.480 0.002 0.000 0.262 316 M C 1.684 177.958 176.300 -0.043 0.000 1.079 316 M CA 1.051 56.322 55.300 -0.048 0.000 1.104 316 M CB -1.309 31.263 32.600 -0.047 0.000 1.409 316 M HN 0.360 nan 8.290 nan 0.000 0.467 317 D N 1.001 121.370 120.400 -0.051 0.000 2.077 317 D HA -0.073 4.568 4.640 0.002 0.000 0.197 317 D C -0.677 175.605 176.300 -0.030 0.000 0.983 317 D CA 1.488 55.462 54.000 -0.042 0.000 0.841 317 D CB -1.339 39.433 40.800 -0.046 0.000 0.992 317 D HN 0.197 nan 8.370 nan 0.000 0.450 318 P HA -0.067 nan 4.420 nan 0.000 0.220 318 P C 2.004 179.301 177.300 -0.006 0.000 1.148 318 P CA 0.725 63.823 63.100 -0.004 0.000 0.803 318 P CB 0.058 31.769 31.700 0.018 0.000 0.782 319 L N -0.425 120.791 121.223 -0.011 0.000 1.989 319 L HA -0.212 4.129 4.340 0.002 0.000 0.211 319 L C 2.990 179.851 176.870 -0.014 0.000 1.071 319 L CA 1.832 56.666 54.840 -0.009 0.000 0.749 319 L CB -1.031 41.020 42.059 -0.014 0.000 0.890 319 L HN -0.012 nan 8.230 nan 0.000 0.431 320 Q N -1.013 118.774 119.800 -0.021 0.000 2.084 320 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 320 Q C 2.153 178.132 176.000 -0.036 0.000 0.978 320 Q CA 2.025 57.813 55.803 -0.025 0.000 0.844 320 Q CB -0.201 28.519 28.738 -0.029 0.000 0.898 320 Q HN 0.499 nan 8.270 nan 0.000 0.426 321 T N 0.960 115.490 114.554 -0.041 0.000 2.622 321 T HA -0.212 4.139 4.350 0.002 0.000 0.266 321 T C 1.917 176.581 174.700 -0.060 0.000 1.047 321 T CA 1.447 63.511 62.100 -0.059 0.000 1.159 321 T CB -0.411 68.425 68.868 -0.052 0.000 0.863 321 T HN 0.423 nan 8.240 nan 0.000 0.422 322 A N 1.266 124.065 122.820 -0.036 0.000 1.940 322 A HA -0.108 4.213 4.320 0.002 0.000 0.219 322 A C 2.567 180.139 177.584 -0.020 0.000 1.176 322 A CA 1.972 53.993 52.037 -0.027 0.000 0.631 322 A CB -0.835 18.164 19.000 -0.003 0.000 0.814 322 A HN 0.452 nan 8.150 nan 0.000 0.446 323 S N -0.920 114.771 115.700 -0.014 0.000 2.447 323 S HA -0.055 4.416 4.470 0.002 0.000 0.233 323 S C 1.398 176.008 174.600 0.017 0.000 1.006 323 S CA 1.425 59.626 58.200 0.002 0.000 0.957 323 S CB -0.200 63.001 63.200 0.003 0.000 0.773 323 S HN 0.986 nan 8.310 nan 0.000 0.507 324 V N -1.681 118.226 119.914 -0.011 0.000 3.159 324 V HA 0.357 4.478 4.120 0.002 0.000 0.333 324 V C -0.109 175.889 176.094 -0.160 0.000 1.424 324 V CA -0.505 61.792 62.300 -0.003 0.000 1.125 324 V CB -0.083 31.715 31.823 -0.041 0.000 1.075 324 V HN 0.087 nan 8.190 nan 0.000 0.482 325 Q N 2.044 121.782 119.800 -0.103 0.000 2.281 325 Q HA 0.175 4.516 4.340 0.002 0.000 0.267 325 Q C -1.090 174.926 176.000 0.026 0.000 1.053 325 Q CA 0.269 55.995 55.803 -0.130 0.000 0.905 325 Q CB 0.799 29.487 28.738 -0.083 0.000 1.195 325 Q HN 0.685 nan 8.270 nan 0.000 0.398 326 W N 4.281 125.517 121.300 -0.106 0.000 2.331 326 W HA 0.176 4.836 4.660 0.001 0.000 0.306 326 W C 0.576 177.054 176.519 -0.069 0.000 1.162 326 W CA -1.149 56.072 57.345 -0.207 0.000 1.232 326 W CB -0.652 28.741 29.460 -0.112 0.000 1.235 326 W HN 0.612 nan 8.180 nan 0.000 0.479 327 F N 0.069 120.138 119.950 0.199 0.000 2.192 327 F HA -0.430 4.099 4.527 0.003 0.000 0.317 327 F C 1.665 177.504 175.800 0.064 0.000 1.454 327 F CA 1.561 59.623 58.000 0.104 0.000 0.932 327 F CB -1.103 37.955 39.000 0.096 0.000 4.108 327 F HN 0.242 nan 8.300 nan 0.000 0.138 328 E N 1.490 121.862 120.200 0.285 0.000 2.502 328 E HA 0.220 4.571 4.350 0.002 0.000 0.194 328 E C -0.111 176.535 176.600 0.077 0.000 1.062 328 E CA 0.980 57.460 56.400 0.133 0.000 0.867 328 E CB 0.142 29.901 29.700 0.099 0.000 0.888 328 E HN 0.488 nan 8.360 nan 0.000 0.510 329 R N -2.910 117.649 120.500 0.099 0.000 4.377 329 R HA 0.081 4.422 4.340 0.002 0.000 0.251 329 R C -1.359 174.959 176.300 0.031 0.000 0.938 329 R CA -0.055 56.061 56.100 0.026 0.000 0.973 329 R CB -0.934 29.347 30.300 -0.033 0.000 1.349 329 R HN -0.012 nan 8.270 nan 0.000 0.574 330 T N -0.715 113.806 114.554 -0.055 0.000 2.924 330 T HA 0.619 4.970 4.350 0.002 0.000 0.291 330 T C 0.182 174.808 174.700 -0.124 0.000 1.045 330 T CA -1.029 61.007 62.100 -0.105 0.000 1.015 330 T CB 1.692 70.393 68.868 -0.279 0.000 1.103 330 T HN 0.442 nan 8.240 nan 0.000 0.496 331 L N 1.631 122.788 121.223 -0.111 0.000 2.629 331 L HA 0.185 4.526 4.340 0.002 0.000 0.230 331 L C 1.813 178.616 176.870 -0.111 0.000 1.151 331 L CA 0.329 55.112 54.840 -0.094 0.000 0.924 331 L CB -0.241 41.780 42.059 -0.064 0.000 1.137 331 L HN 0.821 nan 8.230 nan 0.000 0.457 332 D N -1.100 119.204 120.400 -0.161 0.000 2.378 332 D HA -0.187 4.454 4.640 0.002 0.000 0.227 332 D C 1.059 177.281 176.300 -0.130 0.000 1.012 332 D CA 0.740 54.645 54.000 -0.159 0.000 0.905 332 D CB -0.071 40.590 40.800 -0.232 0.000 0.895 332 D HN 0.470 nan 8.370 nan 0.000 0.532 333 D N 0.186 120.513 120.400 -0.122 0.000 2.305 333 D HA -0.091 4.551 4.640 0.002 0.000 0.206 333 D C 1.715 177.976 176.300 -0.065 0.000 0.974 333 D CA 0.234 54.177 54.000 -0.096 0.000 0.871 333 D CB -0.074 40.659 40.800 -0.112 0.000 0.947 333 D HN 0.117 nan 8.370 nan 0.000 0.516 334 S N 0.542 116.207 115.700 -0.059 0.000 2.343 334 S HA -0.075 4.396 4.470 0.002 0.000 0.219 334 S C 2.191 176.786 174.600 -0.009 0.000 1.033 334 S CA 1.725 59.907 58.200 -0.031 0.000 1.014 334 S CB -0.471 62.712 63.200 -0.029 0.000 0.915 334 S HN 0.393 nan 8.310 nan 0.000 0.435 335 A N 2.213 125.024 122.820 -0.015 0.000 1.877 335 A HA -0.136 4.185 4.320 0.002 0.000 0.216 335 A C 2.132 179.714 177.584 -0.002 0.000 1.186 335 A CA 1.777 53.812 52.037 -0.003 0.000 0.620 335 A CB -1.199 17.795 19.000 -0.010 0.000 0.822 335 A HN 0.709 nan 8.150 nan 0.000 0.443 336 N N -0.114 118.577 118.700 -0.016 0.000 2.061 336 N HA -0.200 4.541 4.740 0.002 0.000 0.193 336 N C 1.942 177.452 175.510 -0.000 0.000 1.030 336 N CA 1.704 54.745 53.050 -0.014 0.000 0.856 336 N CB -0.230 38.239 38.487 -0.030 0.000 1.023 336 N HN 0.526 nan 8.380 nan 0.000 0.424 337 R N 0.364 120.867 120.500 0.005 0.000 2.115 337 R HA 0.040 4.381 4.340 0.002 0.000 0.230 337 R C 2.388 178.717 176.300 0.047 0.000 1.111 337 R CA 0.822 56.941 56.100 0.031 0.000 0.976 337 R CB -0.067 30.253 30.300 0.034 0.000 0.870 337 R HN 0.279 nan 8.270 nan 0.000 0.445 338 R N 0.148 120.672 120.500 0.040 0.000 2.127 338 R HA -0.104 4.237 4.340 0.002 0.000 0.238 338 R C 1.967 178.283 176.300 0.027 0.000 1.134 338 R CA 1.276 57.403 56.100 0.045 0.000 0.975 338 R CB -0.198 30.127 30.300 0.042 0.000 0.865 338 R HN 0.266 nan 8.270 nan 0.000 0.447 339 I N -0.237 120.344 120.570 0.018 0.000 2.368 339 I HA -0.221 3.950 4.170 0.002 0.000 0.238 339 I C 2.783 178.897 176.117 -0.005 0.000 1.076 339 I CA 0.688 61.995 61.300 0.012 0.000 1.397 339 I CB -0.462 37.551 38.000 0.020 0.000 1.141 339 I HN 0.295 nan 8.210 nan 0.000 0.430 340 C N 1.156 120.454 119.300 -0.003 0.000 2.435 340 C HA -0.001 4.460 4.460 0.002 0.000 0.279 340 C C 2.602 177.582 174.990 -0.017 0.000 1.321 340 C CA 0.022 59.028 59.018 -0.019 0.000 1.752 340 C CB -1.407 26.317 27.740 -0.026 0.000 1.959 340 C HN 0.414 nan 8.230 nan 0.000 0.500 341 L N 1.793 123.029 121.223 0.023 0.000 2.005 341 L HA -0.009 4.332 4.340 0.002 0.000 0.207 341 L C 3.320 180.144 176.870 -0.077 0.000 1.072 341 L CA 1.705 56.607 54.840 0.103 0.000 0.744 341 L CB -1.086 41.101 42.059 0.213 0.000 0.895 341 L HN 0.389 nan 8.230 nan 0.000 0.433 342 A N -0.023 122.571 122.820 -0.376 0.000 1.883 342 A HA -0.249 4.072 4.320 0.002 0.000 0.217 342 A C 2.172 179.427 177.584 -0.548 0.000 1.186 342 A CA 1.907 53.307 52.037 -1.061 0.000 0.624 342 A CB -0.554 18.075 19.000 -0.618 0.000 0.822 342 A HN 0.458 nan 8.150 nan 0.000 0.444 343 E N -0.533 119.534 120.200 -0.221 0.000 2.077 343 E HA -0.101 4.250 4.350 0.002 0.000 0.193 343 E C 2.356 178.923 176.600 -0.055 0.000 0.989 343 E CA 0.864 57.219 56.400 -0.075 0.000 0.800 343 E CB -0.274 29.454 29.700 0.046 0.000 0.746 343 E HN 0.625 nan 8.360 nan 0.000 0.452 344 A N 0.614 123.379 122.820 -0.092 0.000 1.883 344 A HA -0.182 4.139 4.320 0.002 0.000 0.217 344 A C 1.880 179.344 177.584 -0.199 0.000 1.186 344 A CA 1.271 53.215 52.037 -0.156 0.000 0.624 344 A CB -0.729 18.147 19.000 -0.207 0.000 0.822 344 A HN 0.189 nan 8.150 nan 0.000 0.444 345 F N -0.248 119.633 119.950 -0.114 0.000 2.206 345 F HA 0.004 4.533 4.527 0.003 0.000 0.298 345 F C 2.065 177.859 175.800 -0.011 0.000 1.090 345 F CA 1.099 59.089 58.000 -0.018 0.000 1.323 345 F CB -0.294 38.789 39.000 0.138 0.000 1.028 345 F HN 0.077 nan 8.300 nan 0.000 0.492 346 L N -0.998 120.268 121.223 0.072 0.000 2.141 346 L HA -0.184 4.157 4.340 0.002 0.000 0.209 346 L C 2.295 179.189 176.870 0.040 0.000 1.094 346 L CA 1.347 56.226 54.840 0.064 0.000 0.763 346 L CB -1.047 41.018 42.059 0.010 0.000 0.908 346 L HN 0.089 nan 8.230 nan 0.000 0.437 347 T N -0.155 114.401 114.554 0.003 0.000 2.737 347 T HA -0.118 4.233 4.350 0.002 0.000 0.265 347 T C 2.076 176.749 174.700 -0.044 0.000 1.038 347 T CA 1.259 63.343 62.100 -0.027 0.000 1.144 347 T CB -0.216 68.655 68.868 0.006 0.000 0.866 347 T HN 0.420 nan 8.240 nan 0.000 0.434 348 A N 1.623 124.410 122.820 -0.055 0.000 1.883 348 A HA -0.198 4.123 4.320 0.002 0.000 0.217 348 A C 2.067 179.649 177.584 -0.003 0.000 1.186 348 A CA 2.292 54.294 52.037 -0.058 0.000 0.624 348 A CB -1.008 17.920 19.000 -0.119 0.000 0.822 348 A HN 0.548 nan 8.150 nan 0.000 0.444 349 D N -1.136 119.296 120.400 0.053 0.000 2.104 349 D HA -0.135 4.506 4.640 0.002 0.000 0.194 349 D C 1.984 178.307 176.300 0.037 0.000 0.994 349 D CA 2.149 56.193 54.000 0.073 0.000 0.830 349 D CB -0.156 40.716 40.800 0.120 0.000 0.959 349 D HN 0.384 nan 8.370 nan 0.000 0.452 350 T N 0.060 114.629 114.554 0.026 0.000 2.684 350 T HA -0.151 4.200 4.350 0.002 0.000 0.267 350 T C 2.098 176.780 174.700 -0.030 0.000 1.036 350 T CA 1.295 63.401 62.100 0.011 0.000 1.148 350 T CB -0.395 68.467 68.868 -0.010 0.000 0.863 350 T HN 0.202 nan 8.240 nan 0.000 0.436 351 I N 0.780 121.315 120.570 -0.059 0.000 2.151 351 I HA -0.191 3.980 4.170 0.002 0.000 0.243 351 I C 2.325 178.408 176.117 -0.057 0.000 1.080 351 I CA 1.403 62.658 61.300 -0.075 0.000 1.339 351 I CB -0.441 37.511 38.000 -0.080 0.000 1.039 351 I HN 0.204 nan 8.210 nan 0.000 0.409 352 L N 0.182 121.384 121.223 -0.035 0.000 2.093 352 L HA -0.177 4.164 4.340 0.002 0.000 0.208 352 L C 2.307 179.164 176.870 -0.020 0.000 1.085 352 L CA 1.018 55.841 54.840 -0.027 0.000 0.755 352 L CB -0.768 41.285 42.059 -0.011 0.000 0.904 352 L HN 0.326 nan 8.230 nan 0.000 0.435 353 N N -0.332 118.364 118.700 -0.006 0.000 2.120 353 N HA -0.146 4.595 4.740 0.002 0.000 0.188 353 N C 1.832 177.334 175.510 -0.014 0.000 1.024 353 N CA 1.931 54.981 53.050 -0.000 0.000 0.852 353 N CB -0.572 37.926 38.487 0.018 0.000 1.003 353 N HN 0.275 nan 8.380 nan 0.000 0.424 354 T N 1.466 116.004 114.554 -0.026 0.000 2.812 354 T HA -0.023 4.328 4.350 0.002 0.000 0.264 354 T C 1.947 176.608 174.700 -0.065 0.000 1.042 354 T CA 0.287 62.362 62.100 -0.041 0.000 1.140 354 T CB -0.250 68.587 68.868 -0.052 0.000 0.870 354 T HN 0.025 nan 8.240 nan 0.000 0.445 355 L N 1.310 122.489 121.223 -0.073 0.000 2.083 355 L HA -0.010 4.331 4.340 0.002 0.000 0.209 355 L C 2.561 179.387 176.870 -0.074 0.000 1.083 355 L CA 1.694 56.480 54.840 -0.091 0.000 0.752 355 L CB -0.766 41.237 42.059 -0.093 0.000 0.899 355 L HN 0.240 nan 8.230 nan 0.000 0.433 356 Q N -0.786 118.985 119.800 -0.049 0.000 2.084 356 Q HA -0.254 4.087 4.340 0.002 0.000 0.202 356 Q C 2.166 178.142 176.000 -0.039 0.000 0.978 356 Q CA 1.830 57.611 55.803 -0.035 0.000 0.844 356 Q CB -0.239 28.488 28.738 -0.019 0.000 0.898 356 Q HN 0.655 nan 8.270 nan 0.000 0.426 357 N N 0.225 118.901 118.700 -0.040 0.000 2.069 357 N HA -0.179 4.562 4.740 0.002 0.000 0.191 357 N C 1.899 177.370 175.510 -0.064 0.000 1.031 357 N CA 1.403 54.429 53.050 -0.040 0.000 0.852 357 N CB -0.135 38.333 38.487 -0.032 0.000 1.018 357 N HN 0.288 nan 8.380 nan 0.000 0.423 358 I N 0.887 121.403 120.570 -0.089 0.000 2.226 358 I HA -0.254 3.917 4.170 0.002 0.000 0.245 358 I C 2.453 178.482 176.117 -0.146 0.000 1.100 358 I CA 1.334 62.558 61.300 -0.128 0.000 1.374 358 I CB -0.314 37.592 38.000 -0.157 0.000 1.057 358 I HN 0.241 nan 8.210 nan 0.000 0.413 359 S N -0.257 115.370 115.700 -0.121 0.000 2.481 359 S HA -0.095 4.376 4.470 0.002 0.000 0.231 359 S C 1.680 176.228 174.600 -0.087 0.000 0.996 359 S CA 0.653 58.780 58.200 -0.122 0.000 0.942 359 S CB -0.266 62.894 63.200 -0.066 0.000 0.768 359 S HN 0.471 nan 8.310 nan 0.000 0.520 360 E N 1.430 121.594 120.200 -0.060 0.000 2.028 360 E HA 0.064 4.415 4.350 0.002 0.000 0.190 360 E C 1.314 177.903 176.600 -0.018 0.000 0.984 360 E CA 0.898 57.285 56.400 -0.023 0.000 0.800 360 E CB -0.240 29.453 29.700 -0.011 0.000 0.758 360 E HN 0.644 nan 8.360 nan 0.000 0.448 361 G N 0.638 109.410 108.800 -0.047 0.000 4.757 361 G HA2 0.293 4.254 3.960 0.002 0.000 0.303 361 G HA3 0.293 4.254 3.960 0.002 0.000 0.303 361 G C -0.268 174.564 174.900 -0.114 0.000 1.318 361 G CA -0.444 44.632 45.100 -0.040 0.000 1.020 361 G HN -0.026 nan 8.290 nan 0.000 0.589 362 L N 1.103 122.223 121.223 -0.172 0.000 2.578 362 L HA 0.027 4.368 4.340 0.002 0.000 0.279 362 L C 0.236 177.018 176.870 -0.146 0.000 1.227 362 L CA 0.215 54.903 54.840 -0.253 0.000 0.900 362 L CB 0.885 42.618 42.059 -0.543 0.000 1.144 362 L HN -0.029 nan 8.230 nan 0.000 0.496 363 V N 5.213 124.993 119.914 -0.223 0.000 2.427 363 V HA 0.370 4.491 4.120 0.002 0.000 0.286 363 V C 0.155 176.105 176.094 -0.240 0.000 1.034 363 V CA -0.581 61.552 62.300 -0.279 0.000 0.893 363 V CB 1.797 33.307 31.823 -0.521 0.000 0.982 363 V HN 0.401 nan 8.190 nan 0.000 0.452 364 V N 4.770 124.547 119.914 -0.228 0.000 2.555 364 V HA 0.451 4.572 4.120 0.002 0.000 0.302 364 V C -1.186 174.698 176.094 -0.351 0.000 1.038 364 V CA -0.665 61.557 62.300 -0.130 0.000 0.887 364 V CB 1.920 33.777 31.823 0.056 0.000 0.991 364 V HN 0.774 nan 8.190 nan 0.000 0.434 365 Y N 5.848 126.206 120.300 0.097 0.000 2.854 365 Y HA 0.350 4.901 4.550 0.001 0.000 0.330 365 Y C -1.500 174.442 175.900 0.071 0.000 1.037 365 Y CA -2.458 55.693 58.100 0.085 0.000 1.263 365 Y CB 1.024 39.533 38.460 0.081 0.000 1.120 365 Y HN 0.500 nan 8.280 nan 0.000 0.532 366 P HA -0.208 nan 4.420 nan 0.000 0.218 366 P C 1.132 178.493 177.300 0.102 0.000 1.148 366 P CA 1.480 64.640 63.100 0.099 0.000 0.822 366 P CB 0.599 32.336 31.700 0.061 0.000 0.784 367 K N -0.378 120.095 120.400 0.123 0.000 2.155 367 K HA 0.006 4.327 4.320 0.002 0.000 0.203 367 K C 2.156 178.808 176.600 0.087 0.000 1.052 367 K CA 0.633 56.976 56.287 0.092 0.000 0.948 367 K CB -1.111 31.443 32.500 0.089 0.000 0.728 367 K HN 0.115 nan 8.250 nan 0.000 0.448 368 V N 1.879 121.863 119.914 0.117 0.000 2.307 368 V HA -0.214 3.907 4.120 0.002 0.000 0.245 368 V C 2.366 178.516 176.094 0.093 0.000 1.045 368 V CA 1.419 63.778 62.300 0.098 0.000 1.024 368 V CB -0.439 31.450 31.823 0.111 0.000 0.651 368 V HN 0.147 nan 8.190 nan 0.000 0.449 369 I N 0.196 120.832 120.570 0.111 0.000 2.151 369 I HA -0.327 3.845 4.170 0.002 0.000 0.243 369 I C 2.641 178.785 176.117 0.044 0.000 1.080 369 I CA 2.287 63.638 61.300 0.085 0.000 1.339 369 I CB -0.421 37.629 38.000 0.083 0.000 1.039 369 I HN 0.436 nan 8.210 nan 0.000 0.409 370 E N 1.222 121.446 120.200 0.041 0.000 2.077 370 E HA -0.302 4.049 4.350 0.002 0.000 0.193 370 E C 2.377 178.982 176.600 0.008 0.000 0.989 370 E CA 1.376 57.787 56.400 0.017 0.000 0.800 370 E CB -0.054 29.660 29.700 0.024 0.000 0.746 370 E HN 0.330 nan 8.360 nan 0.000 0.452 371 R N 0.564 121.077 120.500 0.022 0.000 2.073 371 R HA -0.160 4.181 4.340 0.002 0.000 0.234 371 R C 2.594 178.899 176.300 0.010 0.000 1.134 371 R CA 1.709 57.818 56.100 0.015 0.000 0.952 371 R CB -0.232 30.084 30.300 0.026 0.000 0.850 371 R HN 0.051 nan 8.270 nan 0.000 0.433 372 R N 0.437 120.951 120.500 0.024 0.000 2.081 372 R HA -0.103 4.238 4.340 0.002 0.000 0.235 372 R C 2.216 178.508 176.300 -0.013 0.000 1.131 372 R CA 1.907 58.021 56.100 0.024 0.000 0.960 372 R CB -0.319 30.016 30.300 0.058 0.000 0.856 372 R HN 0.316 nan 8.270 nan 0.000 0.436 373 I N 0.467 121.017 120.570 -0.033 0.000 2.208 373 I HA -0.293 3.878 4.170 0.002 0.000 0.245 373 I C 2.494 178.557 176.117 -0.091 0.000 1.097 373 I CA 1.352 62.605 61.300 -0.077 0.000 1.363 373 I CB -0.266 37.685 38.000 -0.080 0.000 1.051 373 I HN 0.229 nan 8.210 nan 0.000 0.413 374 R N 0.246 120.706 120.500 -0.067 0.000 2.096 374 R HA -0.165 4.176 4.340 0.002 0.000 0.235 374 R C 2.246 178.495 176.300 -0.086 0.000 1.127 374 R CA 1.016 57.068 56.100 -0.079 0.000 0.968 374 R CB -0.248 30.020 30.300 -0.053 0.000 0.861 374 R HN 0.431 nan 8.270 nan 0.000 0.440 375 Q N 0.100 119.871 119.800 -0.047 0.000 2.172 375 Q HA -0.097 4.244 4.340 0.002 0.000 0.200 375 Q C 1.508 177.513 176.000 0.009 0.000 0.964 375 Q CA 1.210 57.001 55.803 -0.020 0.000 0.855 375 Q CB 0.245 28.994 28.738 0.018 0.000 0.918 375 Q HN 0.351 nan 8.270 nan 0.000 0.444 376 E N -0.458 119.738 120.200 -0.006 0.000 2.330 376 E HA 0.012 4.363 4.350 0.002 0.000 0.200 376 E C 1.911 178.497 176.600 -0.023 0.000 0.922 376 E CA -0.134 56.302 56.400 0.061 0.000 0.935 376 E CB -0.062 29.646 29.700 0.013 0.000 0.917 376 E HN 0.111 nan 8.360 nan 0.000 0.491 377 L N 2.189 123.317 121.223 -0.158 0.000 2.042 377 L HA -0.084 4.257 4.340 0.002 0.000 0.210 377 L C -0.983 175.707 176.870 -0.301 0.000 1.076 377 L CA 2.027 56.688 54.840 -0.298 0.000 0.749 377 L CB -1.351 40.468 42.059 -0.401 0.000 0.893 377 L HN -0.006 nan 8.230 nan 0.000 0.432 378 P HA -0.207 nan 4.420 nan 0.000 0.216 378 P C 1.532 178.641 177.300 -0.318 0.000 1.154 378 P CA 1.714 64.596 63.100 -0.363 0.000 0.865 378 P CB -0.183 31.207 31.700 -0.517 0.000 0.789 379 F N -1.914 117.972 119.950 -0.106 0.000 2.293 379 F HA -0.024 4.505 4.527 0.003 0.000 0.300 379 F C 2.256 178.016 175.800 -0.067 0.000 1.086 379 F CA 1.171 59.124 58.000 -0.078 0.000 1.375 379 F CB -1.074 37.885 39.000 -0.068 0.000 1.045 379 F HN -0.122 nan 8.300 nan 0.000 0.516 380 M N -0.969 118.665 119.600 0.057 0.000 2.556 380 M HA 0.155 4.637 4.480 0.002 0.000 0.245 380 M C 1.804 178.125 176.300 0.035 0.000 1.128 380 M CA 0.456 55.768 55.300 0.021 0.000 1.069 380 M CB -0.086 32.483 32.600 -0.052 0.000 1.469 380 M HN 0.094 nan 8.290 nan 0.000 0.494 381 A N 0.227 123.037 122.820 -0.017 0.000 2.275 381 A HA 0.036 4.357 4.320 0.002 0.000 0.212 381 A C 2.059 179.705 177.584 0.104 0.000 1.201 381 A CA 0.893 52.990 52.037 0.101 0.000 0.843 381 A CB -0.721 18.283 19.000 0.006 0.000 0.873 381 A HN 0.498 nan 8.150 nan 0.000 0.492 382 T N -1.621 112.974 114.554 0.068 0.000 2.777 382 T HA -0.180 4.171 4.350 0.002 0.000 0.266 382 T C 1.688 176.451 174.700 0.104 0.000 1.040 382 T CA 1.537 63.672 62.100 0.059 0.000 1.141 382 T CB -0.304 68.594 68.868 0.051 0.000 0.868 382 T HN 0.388 nan 8.240 nan 0.000 0.444 383 E N 2.241 122.514 120.200 0.122 0.000 2.070 383 E HA -0.189 4.163 4.350 0.002 0.000 0.197 383 E C 2.060 178.726 176.600 0.110 0.000 1.004 383 E CA 1.642 58.116 56.400 0.125 0.000 0.805 383 E CB -0.710 29.058 29.700 0.114 0.000 0.744 383 E HN 0.476 nan 8.360 nan 0.000 0.451 384 N N -0.166 118.603 118.700 0.115 0.000 2.223 384 N HA -0.110 4.632 4.740 0.002 0.000 0.185 384 N C 1.451 177.015 175.510 0.090 0.000 1.016 384 N CA 1.139 54.241 53.050 0.087 0.000 0.863 384 N CB -0.169 38.370 38.487 0.088 0.000 0.983 384 N HN 0.245 nan 8.380 nan 0.000 0.429 385 I N 0.861 121.491 120.570 0.100 0.000 2.252 385 I HA -0.121 4.050 4.170 0.002 0.000 0.245 385 I C 2.072 178.281 176.117 0.154 0.000 1.102 385 I CA 0.621 61.983 61.300 0.103 0.000 1.385 385 I CB -0.998 37.028 38.000 0.043 0.000 1.064 385 I HN 0.097 nan 8.210 nan 0.000 0.414 386 I N 0.062 120.729 120.570 0.162 0.000 2.226 386 I HA -0.324 3.847 4.170 0.002 0.000 0.245 386 I C 2.624 178.820 176.117 0.131 0.000 1.100 386 I CA 1.434 62.843 61.300 0.183 0.000 1.374 386 I CB -0.276 37.834 38.000 0.184 0.000 1.057 386 I HN 0.146 nan 8.210 nan 0.000 0.413 387 M N 0.155 119.815 119.600 0.100 0.000 2.159 387 M HA -0.193 4.288 4.480 0.002 0.000 0.263 387 M C 2.474 178.812 176.300 0.062 0.000 1.063 387 M CA 1.963 57.304 55.300 0.069 0.000 1.110 387 M CB -0.437 32.193 32.600 0.050 0.000 1.374 387 M HN 0.324 nan 8.290 nan 0.000 0.411 388 A N -0.107 122.757 122.820 0.074 0.000 1.930 388 A HA -0.104 4.217 4.320 0.002 0.000 0.217 388 A C 2.143 179.763 177.584 0.060 0.000 1.175 388 A CA 1.156 53.232 52.037 0.065 0.000 0.627 388 A CB -0.388 18.659 19.000 0.078 0.000 0.815 388 A HN 0.361 nan 8.150 nan 0.000 0.443 389 M N -0.496 119.155 119.600 0.086 0.000 2.175 389 M HA -0.074 4.407 4.480 0.002 0.000 0.264 389 M C 2.193 178.505 176.300 0.021 0.000 1.063 389 M CA 1.143 56.474 55.300 0.052 0.000 1.119 389 M CB -1.015 31.646 32.600 0.102 0.000 1.377 389 M HN 0.254 nan 8.290 nan 0.000 0.415 390 V N 0.475 120.415 119.914 0.044 0.000 2.343 390 V HA -0.278 3.843 4.120 0.002 0.000 0.247 390 V C 2.425 178.527 176.094 0.013 0.000 1.051 390 V CA 1.810 64.127 62.300 0.028 0.000 1.036 390 V CB -0.795 31.052 31.823 0.040 0.000 0.654 390 V HN 0.473 nan 8.190 nan 0.000 0.451 391 K N 0.425 120.835 120.400 0.017 0.000 2.152 391 K HA -0.160 4.162 4.320 0.002 0.000 0.206 391 K C 1.937 178.535 176.600 -0.004 0.000 1.048 391 K CA 1.563 57.855 56.287 0.008 0.000 0.933 391 K CB -0.277 32.231 32.500 0.014 0.000 0.721 391 K HN 0.462 nan 8.250 nan 0.000 0.447 392 A N -0.423 122.391 122.820 -0.010 0.000 2.206 392 A HA 0.173 4.494 4.320 0.002 0.000 0.211 392 A C 1.371 178.929 177.584 -0.042 0.000 1.158 392 A CA 1.004 53.024 52.037 -0.028 0.000 0.761 392 A CB -0.178 18.798 19.000 -0.040 0.000 0.801 392 A HN 0.576 nan 8.150 nan 0.000 0.473 393 G N -2.535 106.244 108.800 -0.035 0.000 2.205 393 G HA2 0.049 4.010 3.960 0.002 0.000 0.180 393 G HA3 0.049 4.010 3.960 0.002 0.000 0.180 393 G C 0.653 175.526 174.900 -0.046 0.000 1.004 393 G CA 0.047 45.123 45.100 -0.038 0.000 0.670 393 G HN 1.233 nan 8.290 nan 0.000 0.496 394 G N 0.122 108.889 108.800 -0.055 0.000 2.599 394 G HA2 0.546 4.507 3.960 0.002 0.000 0.264 394 G HA3 0.546 4.507 3.960 0.002 0.000 0.264 394 G C 0.366 175.266 174.900 -0.001 0.000 1.200 394 G CA 0.830 45.897 45.100 -0.055 0.000 0.896 394 G HN 1.312 nan 8.290 nan 0.000 0.536 395 S N -0.740 114.976 115.700 0.026 0.000 2.475 395 S HA 0.169 4.640 4.470 0.002 0.000 0.281 395 S C 1.543 176.190 174.600 0.079 0.000 1.198 395 S CA -0.438 57.789 58.200 0.047 0.000 1.063 395 S CB 1.246 64.474 63.200 0.048 0.000 0.972 395 S HN 0.717 nan 8.310 nan 0.000 0.486 396 R N 3.040 123.581 120.500 0.068 0.000 2.094 396 R HA -0.196 4.145 4.340 0.002 0.000 0.239 396 R C 2.168 178.534 176.300 0.110 0.000 1.137 396 R CA 2.384 58.536 56.100 0.087 0.000 0.943 396 R CB -0.586 29.747 30.300 0.055 0.000 0.850 396 R HN 0.786 nan 8.270 nan 0.000 0.433 397 Q N 0.750 120.595 119.800 0.074 0.000 2.030 397 Q HA -0.211 4.130 4.340 0.002 0.000 0.204 397 Q C 1.607 177.676 176.000 0.114 0.000 0.986 397 Q CA 2.448 58.295 55.803 0.073 0.000 0.843 397 Q CB -0.500 28.260 28.738 0.037 0.000 0.904 397 Q HN 0.461 nan 8.270 nan 0.000 0.420 398 D N -1.066 119.393 120.400 0.099 0.000 2.104 398 D HA -0.179 4.462 4.640 0.002 0.000 0.194 398 D C 1.960 178.319 176.300 0.099 0.000 0.994 398 D CA 1.499 55.554 54.000 0.091 0.000 0.830 398 D CB -0.640 40.229 40.800 0.115 0.000 0.959 398 D HN 0.435 nan 8.370 nan 0.000 0.452 399 C N -0.315 119.100 119.300 0.191 0.000 2.429 399 C HA -0.139 4.322 4.460 0.002 0.000 0.277 399 C C 2.650 177.771 174.990 0.218 0.000 1.262 399 C CA 1.593 60.761 59.018 0.249 0.000 1.733 399 C CB -1.542 26.375 27.740 0.295 0.000 2.010 399 C HN 0.527 nan 8.230 nan 0.000 0.483 400 H N 0.639 119.780 119.070 0.118 0.000 2.353 400 H HA -0.160 4.397 4.556 0.001 0.000 0.298 400 H C 2.090 177.458 175.328 0.067 0.000 1.103 400 H CA 2.588 58.694 56.048 0.095 0.000 1.293 400 H CB -0.244 29.559 29.762 0.068 0.000 1.372 400 H HN 0.643 nan 8.280 nan 0.000 0.501 401 E N -0.240 120.011 120.200 0.084 0.000 2.072 401 E HA -0.145 4.207 4.350 0.002 0.000 0.191 401 E C 2.154 178.710 176.600 -0.073 0.000 0.985 401 E CA 0.970 57.369 56.400 -0.001 0.000 0.801 401 E CB 0.170 29.888 29.700 0.030 0.000 0.750 401 E HN 0.364 nan 8.360 nan 0.000 0.452 402 K N 0.895 121.225 120.400 -0.117 0.000 2.026 402 K HA -0.118 4.203 4.320 0.002 0.000 0.208 402 K C 2.142 178.776 176.600 0.057 0.000 1.048 402 K CA 0.919 57.111 56.287 -0.159 0.000 0.929 402 K CB -0.632 31.519 32.500 -0.582 0.000 0.713 402 K HN 0.196 nan 8.250 nan 0.000 0.439 403 I N 0.895 121.567 120.570 0.170 0.000 2.394 403 I HA -0.229 3.942 4.170 0.002 0.000 0.251 403 I C 2.686 178.791 176.117 -0.020 0.000 1.136 403 I CA 0.804 62.181 61.300 0.128 0.000 1.425 403 I CB 0.033 38.115 38.000 0.136 0.000 1.079 403 I HN 0.112 nan 8.210 nan 0.000 0.425 404 R N 0.271 120.704 120.500 -0.111 0.000 2.096 404 R HA -0.171 4.171 4.340 0.002 0.000 0.235 404 R C 2.283 178.555 176.300 -0.048 0.000 1.127 404 R CA 2.052 58.071 56.100 -0.135 0.000 0.968 404 R CB -0.270 29.879 30.300 -0.252 0.000 0.861 404 R HN 0.459 nan 8.270 nan 0.000 0.440 405 V N -1.081 118.814 119.914 -0.031 0.000 2.379 405 V HA -0.138 3.983 4.120 0.002 0.000 0.245 405 V C 2.115 178.215 176.094 0.010 0.000 1.044 405 V CA 1.480 63.774 62.300 -0.009 0.000 1.036 405 V CB -0.662 31.153 31.823 -0.013 0.000 0.664 405 V HN 0.260 nan 8.190 nan 0.000 0.453 406 L N 0.913 122.146 121.223 0.017 0.000 2.042 406 L HA -0.150 4.191 4.340 0.002 0.000 0.210 406 L C 3.013 179.898 176.870 0.025 0.000 1.076 406 L CA 2.125 56.973 54.840 0.014 0.000 0.749 406 L CB -0.862 41.194 42.059 -0.004 0.000 0.893 406 L HN 0.536 nan 8.230 nan 0.000 0.432 407 S N -0.547 115.179 115.700 0.043 0.000 2.368 407 S HA -0.216 4.256 4.470 0.002 0.000 0.224 407 S C 1.953 176.670 174.600 0.195 0.000 1.029 407 S CA 1.329 59.623 58.200 0.156 0.000 0.988 407 S CB -0.036 63.260 63.200 0.160 0.000 0.838 407 S HN 0.450 nan 8.310 nan 0.000 0.462 408 Q N 0.165 120.012 119.800 0.079 0.000 2.119 408 Q HA -0.109 4.233 4.340 0.002 0.000 0.201 408 Q C 2.462 178.490 176.000 0.047 0.000 0.972 408 Q CA 1.410 57.237 55.803 0.041 0.000 0.847 408 Q CB -0.183 28.559 28.738 0.007 0.000 0.903 408 Q HN 0.654 nan 8.270 nan 0.000 0.433 409 Q N 0.134 119.962 119.800 0.047 0.000 2.084 409 Q HA -0.169 4.172 4.340 0.002 0.000 0.202 409 Q C 2.103 178.140 176.000 0.062 0.000 0.978 409 Q CA 1.436 57.263 55.803 0.040 0.000 0.844 409 Q CB -0.186 28.568 28.738 0.027 0.000 0.898 409 Q HN 0.384 nan 8.270 nan 0.000 0.426 410 A N 0.918 123.800 122.820 0.102 0.000 1.898 410 A HA -0.072 4.250 4.320 0.002 0.000 0.216 410 A C 2.295 180.023 177.584 0.240 0.000 1.181 410 A CA 1.438 53.560 52.037 0.141 0.000 0.620 410 A CB -0.807 18.246 19.000 0.088 0.000 0.819 410 A HN 0.394 nan 8.150 nan 0.000 0.442 411 A N -0.741 122.240 122.820 0.268 0.000 1.940 411 A HA -0.124 4.197 4.320 0.002 0.000 0.219 411 A C 2.463 180.060 177.584 0.023 0.000 1.176 411 A CA 2.196 54.275 52.037 0.069 0.000 0.631 411 A CB -0.900 18.004 19.000 -0.160 0.000 0.814 411 A HN 0.549 nan 8.150 nan 0.000 0.446 412 S N -0.722 114.995 115.700 0.028 0.000 2.368 412 S HA -0.124 4.347 4.470 0.002 0.000 0.225 412 S C 1.921 176.533 174.600 0.020 0.000 1.030 412 S CA 1.540 59.747 58.200 0.012 0.000 0.999 412 S CB -0.500 62.707 63.200 0.011 0.000 0.844 412 S HN 0.305 nan 8.310 nan 0.000 0.459 413 V N 1.553 121.489 119.914 0.036 0.000 2.287 413 V HA -0.164 3.957 4.120 0.002 0.000 0.248 413 V C 2.474 178.586 176.094 0.030 0.000 1.053 413 V CA 1.984 64.302 62.300 0.030 0.000 1.027 413 V CB -0.739 31.103 31.823 0.032 0.000 0.646 413 V HN 0.425 nan 8.190 nan 0.000 0.447 414 V N -0.428 119.516 119.914 0.050 0.000 2.261 414 V HA -0.281 3.840 4.120 0.002 0.000 0.246 414 V C 2.388 178.491 176.094 0.014 0.000 1.047 414 V CA 2.266 64.593 62.300 0.044 0.000 1.015 414 V CB -0.632 31.239 31.823 0.080 0.000 0.642 414 V HN 0.527 nan 8.190 nan 0.000 0.446 415 K N -0.843 119.557 120.400 -0.000 0.000 2.098 415 K HA -0.035 4.286 4.320 0.002 0.000 0.203 415 K C 2.214 178.808 176.600 -0.010 0.000 1.051 415 K CA 0.741 57.019 56.287 -0.015 0.000 0.957 415 K CB -0.090 32.390 32.500 -0.033 0.000 0.738 415 K HN 0.377 nan 8.250 nan 0.000 0.447 416 Q N 0.463 120.259 119.800 -0.006 0.000 2.302 416 Q HA -0.018 4.323 4.340 0.002 0.000 0.202 416 Q C 0.977 176.976 176.000 -0.001 0.000 0.936 416 Q CA 1.048 56.848 55.803 -0.005 0.000 0.886 416 Q CB 0.519 29.254 28.738 -0.004 0.000 0.986 416 Q HN 0.411 nan 8.270 nan 0.000 0.487 417 E N -0.496 119.706 120.200 0.003 0.000 2.511 417 E HA 0.205 4.556 4.350 0.002 0.000 0.209 417 E C 0.357 176.960 176.600 0.004 0.000 0.986 417 E CA 0.226 56.628 56.400 0.003 0.000 0.974 417 E CB 0.726 30.429 29.700 0.005 0.000 1.030 417 E HN 0.342 nan 8.360 nan 0.000 0.490 418 G N 1.884 110.687 108.800 0.004 0.000 2.323 418 G HA2 -0.256 3.705 3.960 0.002 0.000 0.292 418 G HA3 -0.256 3.705 3.960 0.002 0.000 0.292 418 G C 0.334 175.238 174.900 0.008 0.000 1.040 418 G CA 0.172 45.275 45.100 0.005 0.000 0.942 418 G HN 0.406 nan 8.290 nan 0.000 0.506 419 G N -1.155 107.652 108.800 0.012 0.000 2.552 419 G HA2 0.592 4.553 3.960 0.002 0.000 0.318 419 G HA3 0.592 4.553 3.960 0.002 0.000 0.318 419 G C -0.455 174.455 174.900 0.016 0.000 1.240 419 G CA -0.511 44.596 45.100 0.011 0.000 1.002 419 G HN 0.172 nan 8.290 nan 0.000 0.493 420 D N 0.103 120.509 120.400 0.009 0.000 2.341 420 D HA 0.072 4.713 4.640 0.002 0.000 0.245 420 D C 0.515 176.818 176.300 0.006 0.000 1.106 420 D CA -0.179 53.825 54.000 0.006 0.000 0.905 420 D CB 0.851 41.647 40.800 -0.007 0.000 1.202 420 D HN 0.268 nan 8.370 nan 0.000 0.426 421 N N 1.570 120.273 118.700 0.006 0.000 2.414 421 N HA -0.090 4.651 4.740 0.002 0.000 0.268 421 N C -0.167 175.293 175.510 -0.083 0.000 1.286 421 N CA 0.005 53.041 53.050 -0.024 0.000 0.896 421 N CB 0.373 38.817 38.487 -0.072 0.000 1.093 421 N HN 0.271 nan 8.380 nan 0.000 0.480 422 D N 2.917 123.271 120.400 -0.077 0.000 2.501 422 D HA -0.027 4.614 4.640 0.002 0.000 0.226 422 D C 1.478 177.706 176.300 -0.120 0.000 1.198 422 D CA -0.422 53.527 54.000 -0.085 0.000 0.830 422 D CB -0.259 40.513 40.800 -0.046 0.000 1.014 422 D HN 0.361 nan 8.370 nan 0.000 0.496 423 L N 0.522 121.625 121.223 -0.200 0.000 2.012 423 L HA -0.133 4.208 4.340 0.002 0.000 0.210 423 L C 1.740 178.487 176.870 -0.205 0.000 1.073 423 L CA 1.624 56.324 54.840 -0.233 0.000 0.748 423 L CB -0.405 41.401 42.059 -0.423 0.000 0.891 423 L HN 0.022 nan 8.230 nan 0.000 0.431 424 I N -0.275 120.172 120.570 -0.205 0.000 2.226 424 I HA -0.259 3.912 4.170 0.002 0.000 0.245 424 I C 2.548 178.586 176.117 -0.130 0.000 1.100 424 I CA 1.355 62.555 61.300 -0.166 0.000 1.374 424 I CB -1.423 36.491 38.000 -0.144 0.000 1.057 424 I HN 0.507 nan 8.210 nan 0.000 0.413 425 E N 1.152 121.285 120.200 -0.110 0.000 2.077 425 E HA -0.225 4.126 4.350 0.002 0.000 0.193 425 E C 2.377 178.934 176.600 -0.071 0.000 0.989 425 E CA 1.089 57.438 56.400 -0.086 0.000 0.800 425 E CB 0.090 29.750 29.700 -0.067 0.000 0.746 425 E HN 0.407 nan 8.360 nan 0.000 0.452 426 R N 0.077 120.535 120.500 -0.069 0.000 2.091 426 R HA -0.125 4.216 4.340 0.002 0.000 0.238 426 R C 2.518 178.807 176.300 -0.020 0.000 1.136 426 R CA 1.540 57.618 56.100 -0.037 0.000 0.959 426 R CB -0.276 29.999 30.300 -0.041 0.000 0.856 426 R HN 0.284 nan 8.270 nan 0.000 0.437 427 I N 0.676 121.188 120.570 -0.097 0.000 2.252 427 I HA -0.279 3.892 4.170 0.002 0.000 0.245 427 I C 2.378 178.516 176.117 0.034 0.000 1.102 427 I CA 1.339 62.559 61.300 -0.132 0.000 1.385 427 I CB -0.269 37.517 38.000 -0.357 0.000 1.064 427 I HN 0.229 nan 8.210 nan 0.000 0.414 428 Q N 0.093 119.833 119.800 -0.100 0.000 2.135 428 Q HA -0.186 4.155 4.340 0.002 0.000 0.204 428 Q C 2.153 177.948 176.000 -0.342 0.000 0.981 428 Q CA 2.001 57.622 55.803 -0.303 0.000 0.856 428 Q CB -0.095 28.512 28.738 -0.219 0.000 0.902 428 Q HN 0.618 nan 8.270 nan 0.000 0.425 429 V N -2.447 117.418 119.914 -0.081 0.000 3.649 429 V HA 0.108 4.229 4.120 0.002 0.000 0.275 429 V C 0.315 176.489 176.094 0.133 0.000 1.281 429 V CA -0.029 62.271 62.300 0.000 0.000 1.143 429 V CB 0.211 32.036 31.823 0.003 0.000 0.892 429 V HN 0.024 nan 8.190 nan 0.000 0.441 430 D N 1.130 121.681 120.400 0.253 0.000 2.295 430 D HA 0.510 5.151 4.640 0.002 0.000 0.248 430 D C 1.223 177.772 176.300 0.415 0.000 1.154 430 D CA 0.645 54.849 54.000 0.340 0.000 0.857 430 D CB 1.996 43.071 40.800 0.458 0.000 1.117 430 D HN 0.250 nan 8.370 nan 0.000 0.468 431 A N 4.298 127.272 122.820 0.258 0.000 2.019 431 A HA -0.233 4.088 4.320 0.002 0.000 0.219 431 A C 1.887 179.499 177.584 0.047 0.000 1.164 431 A CA 0.979 53.111 52.037 0.159 0.000 0.644 431 A CB -0.793 18.266 19.000 0.099 0.000 0.805 431 A HN 0.788 nan 8.150 nan 0.000 0.449 432 Y N -0.345 119.916 120.300 -0.064 0.000 2.151 432 Y HA -0.253 4.298 4.550 0.002 0.000 0.284 432 Y C 1.286 176.937 175.900 -0.415 0.000 1.166 432 Y CA 2.066 60.002 58.100 -0.273 0.000 1.163 432 Y CB -0.342 37.868 38.460 -0.416 0.000 0.974 432 Y HN 0.297 nan 8.280 nan 0.000 0.511 433 F N -0.046 119.901 119.950 -0.005 0.000 2.731 433 F HA 0.071 4.599 4.527 0.002 0.000 0.304 433 F C 2.311 177.711 175.800 -0.666 0.000 1.133 433 F CA 0.453 58.352 58.000 -0.169 0.000 1.380 433 F CB -0.633 38.433 39.000 0.110 0.000 1.079 433 F HN 0.101 nan 8.300 nan 0.000 0.550 434 S N 0.122 115.416 115.700 -0.677 0.000 2.400 434 S HA -0.147 4.324 4.470 0.002 0.000 0.232 434 S C -0.440 173.952 174.600 -0.347 0.000 1.025 434 S CA 0.802 58.551 58.200 -0.752 0.000 0.993 434 S CB -1.599 61.420 63.200 -0.302 0.000 0.808 434 S HN 0.215 nan 8.310 nan 0.000 0.478 435 P HA 0.030 nan 4.420 nan 0.000 0.221 435 P C 1.263 178.527 177.300 -0.060 0.000 1.145 435 P CA 0.955 63.973 63.100 -0.137 0.000 0.795 435 P CB -0.234 31.372 31.700 -0.156 0.000 0.775 436 I N -7.320 113.233 120.570 -0.028 0.000 4.147 436 I HA 0.230 4.401 4.170 0.002 0.000 0.329 436 I C 1.496 177.699 176.117 0.143 0.000 1.424 436 I CA -0.219 61.122 61.300 0.068 0.000 1.127 436 I CB -0.578 37.492 38.000 0.117 0.000 1.128 436 I HN -0.120 nan 8.210 nan 0.000 0.417 437 H N 2.064 121.178 119.070 0.074 0.000 2.319 437 H HA -0.159 4.398 4.556 0.002 0.000 0.299 437 H C 2.498 177.851 175.328 0.040 0.000 1.092 437 H CA 1.872 57.955 56.048 0.059 0.000 1.302 437 H CB 0.226 30.022 29.762 0.056 0.000 1.373 437 H HN 0.593 nan 8.280 nan 0.000 0.497 438 S N 0.438 116.236 115.700 0.163 0.000 2.507 438 S HA -0.134 4.337 4.470 0.002 0.000 0.235 438 S C 1.664 176.311 174.600 0.079 0.000 0.988 438 S CA 0.935 59.191 58.200 0.094 0.000 0.944 438 S CB 0.039 63.276 63.200 0.061 0.000 0.762 438 S HN 0.484 nan 8.310 nan 0.000 0.526 439 Q N -0.069 119.788 119.800 0.096 0.000 2.384 439 Q HA 0.372 4.713 4.340 0.002 0.000 0.207 439 Q C 1.776 177.849 176.000 0.122 0.000 0.904 439 Q CA -0.050 55.816 55.803 0.105 0.000 0.933 439 Q CB -0.100 28.699 28.738 0.102 0.000 1.077 439 Q HN 0.491 nan 8.270 nan 0.000 0.522 440 L N 0.899 122.181 121.223 0.099 0.000 2.043 440 L HA -0.264 4.077 4.340 0.002 0.000 0.212 440 L C 1.528 178.435 176.870 0.061 0.000 1.075 440 L CA 1.176 56.058 54.840 0.069 0.000 0.752 440 L CB -0.267 41.817 42.059 0.041 0.000 0.891 440 L HN 0.233 nan 8.230 nan 0.000 0.432 441 D N -1.305 119.135 120.400 0.067 0.000 2.104 441 D HA -0.240 4.401 4.640 0.002 0.000 0.194 441 D C 2.012 178.370 176.300 0.097 0.000 0.994 441 D CA 1.471 55.510 54.000 0.064 0.000 0.830 441 D CB -0.170 40.666 40.800 0.061 0.000 0.959 441 D HN 0.388 nan 8.370 nan 0.000 0.452 442 H N 0.206 119.293 119.070 0.029 0.000 2.357 442 H HA 0.074 4.631 4.556 0.002 0.000 0.301 442 H C 2.115 177.470 175.328 0.046 0.000 1.082 442 H CA 1.039 57.105 56.048 0.029 0.000 1.342 442 H CB -0.355 29.416 29.762 0.015 0.000 1.389 442 H HN 0.029 nan 8.280 nan 0.000 0.511 443 L N -0.255 120.993 121.223 0.042 0.000 2.191 443 L HA -0.132 4.209 4.340 0.002 0.000 0.212 443 L C 1.565 178.512 176.870 0.128 0.000 1.103 443 L CA 0.811 55.666 54.840 0.025 0.000 0.769 443 L CB -0.123 41.984 42.059 0.081 0.000 0.908 443 L HN 0.288 nan 8.230 nan 0.000 0.438 444 L N -0.882 120.402 121.223 0.102 0.000 2.700 444 L HA 0.100 4.441 4.340 0.002 0.000 0.234 444 L C 0.224 177.164 176.870 0.117 0.000 1.156 444 L CA -0.307 54.603 54.840 0.117 0.000 0.946 444 L CB -0.012 42.048 42.059 0.002 0.000 1.216 444 L HN 0.052 nan 8.230 nan 0.000 0.493 445 D N 0.442 120.903 120.400 0.102 0.000 2.382 445 D HA 0.021 4.663 4.640 0.002 0.000 0.259 445 D C -1.438 174.976 176.300 0.190 0.000 1.224 445 D CA -1.317 52.723 54.000 0.066 0.000 0.894 445 D CB 1.245 42.015 40.800 -0.051 0.000 1.127 445 D HN -0.074 nan 8.370 nan 0.000 0.487 446 P HA -0.146 nan 4.420 nan 0.000 0.215 446 P C 1.237 178.632 177.300 0.158 0.000 1.153 446 P CA 0.858 64.033 63.100 0.124 0.000 0.853 446 P CB 0.206 31.915 31.700 0.015 0.000 0.788 447 S N -0.262 115.483 115.700 0.076 0.000 2.400 447 S HA -0.154 4.317 4.470 0.002 0.000 0.232 447 S C 1.968 176.581 174.600 0.022 0.000 1.025 447 S CA 1.713 59.936 58.200 0.039 0.000 0.993 447 S CB -1.055 62.152 63.200 0.012 0.000 0.808 447 S HN 0.348 nan 8.310 nan 0.000 0.478 448 S N 0.135 115.830 115.700 -0.009 0.000 2.515 448 S HA 0.078 4.550 4.470 0.002 0.000 0.231 448 S C 1.149 175.596 174.600 -0.254 0.000 0.987 448 S CA 0.463 58.566 58.200 -0.162 0.000 0.936 448 S CB -0.521 62.492 63.200 -0.312 0.000 0.766 448 S HN 0.481 nan 8.310 nan 0.000 0.528 449 F N 2.314 122.226 119.950 -0.063 0.000 2.727 449 F HA 0.208 4.736 4.527 0.001 0.000 0.302 449 F C 2.253 178.024 175.800 -0.048 0.000 1.097 449 F CA 0.480 58.448 58.000 -0.053 0.000 1.330 449 F CB 0.125 39.092 39.000 -0.055 0.000 1.084 449 F HN 0.345 nan 8.300 nan 0.000 0.578 450 T N -2.702 111.906 114.554 0.089 0.000 3.144 450 T HA 0.445 4.796 4.350 0.002 0.000 0.249 450 T C 1.617 176.319 174.700 0.003 0.000 1.089 450 T CA 0.362 62.485 62.100 0.037 0.000 0.989 450 T CB -0.503 68.372 68.868 0.013 0.000 0.992 450 T HN 0.373 nan 8.240 nan 0.000 0.540 451 G N 2.959 111.754 108.800 -0.009 0.000 2.651 451 G HA2 -0.381 3.580 3.960 0.002 0.000 0.315 451 G HA3 -0.381 3.580 3.960 0.002 0.000 0.315 451 G C 0.665 175.550 174.900 -0.024 0.000 1.258 451 G CA 0.346 45.432 45.100 -0.022 0.000 1.002 451 G HN 0.566 nan 8.290 nan 0.000 0.551 452 R N 1.242 121.729 120.500 -0.023 0.000 2.427 452 R HA 0.491 4.832 4.340 0.002 0.000 0.262 452 R C 2.636 178.920 176.300 -0.027 0.000 0.943 452 R CA 0.811 56.898 56.100 -0.023 0.000 1.081 452 R CB -0.012 30.276 30.300 -0.020 0.000 1.166 452 R HN 0.621 nan 8.270 nan 0.000 0.534 453 A N 1.081 123.881 122.820 -0.033 0.000 1.896 453 A HA -0.302 4.019 4.320 0.002 0.000 0.220 453 A C 2.219 179.777 177.584 -0.042 0.000 1.206 453 A CA 2.364 54.374 52.037 -0.046 0.000 0.647 453 A CB -0.642 18.329 19.000 -0.048 0.000 0.828 453 A HN 0.311 nan 8.150 nan 0.000 0.455 454 S N -1.200 114.481 115.700 -0.033 0.000 2.356 454 S HA -0.193 4.278 4.470 0.002 0.000 0.223 454 S C 2.190 176.781 174.600 -0.015 0.000 1.032 454 S CA 1.586 59.770 58.200 -0.027 0.000 1.005 454 S CB -0.354 62.833 63.200 -0.023 0.000 0.867 454 S HN 0.681 nan 8.310 nan 0.000 0.449 455 Q N 0.108 119.901 119.800 -0.011 0.000 2.167 455 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 455 Q C 2.380 178.383 176.000 0.005 0.000 0.970 455 Q CA 1.150 56.952 55.803 -0.002 0.000 0.855 455 Q CB -0.157 28.579 28.738 -0.003 0.000 0.911 455 Q HN 0.653 nan 8.270 nan 0.000 0.438 456 Q N -0.113 119.684 119.800 -0.005 0.000 2.050 456 Q HA -0.141 4.200 4.340 0.002 0.000 0.202 456 Q C 2.258 178.279 176.000 0.034 0.000 0.980 456 Q CA 1.516 57.318 55.803 -0.001 0.000 0.840 456 Q CB -0.070 28.643 28.738 -0.042 0.000 0.898 456 Q HN 0.192 nan 8.270 nan 0.000 0.424 457 V N 1.122 121.046 119.914 0.016 0.000 2.282 457 V HA -0.323 3.798 4.120 0.002 0.000 0.249 457 V C 2.345 178.481 176.094 0.070 0.000 1.057 457 V CA 2.150 64.486 62.300 0.059 0.000 1.032 457 V CB -0.711 31.118 31.823 0.011 0.000 0.645 457 V HN 0.387 nan 8.190 nan 0.000 0.447 458 Q N 0.853 120.672 119.800 0.033 0.000 2.050 458 Q HA -0.209 4.132 4.340 0.002 0.000 0.202 458 Q C 2.306 178.308 176.000 0.004 0.000 0.980 458 Q CA 2.101 57.916 55.803 0.019 0.000 0.840 458 Q CB -0.517 28.234 28.738 0.022 0.000 0.898 458 Q HN 0.551 nan 8.270 nan 0.000 0.424 459 R N -1.099 119.417 120.500 0.028 0.000 2.066 459 R HA -0.122 4.219 4.340 0.002 0.000 0.232 459 R C 2.214 178.531 176.300 0.028 0.000 1.131 459 R CA 1.359 57.474 56.100 0.025 0.000 0.955 459 R CB -0.561 29.762 30.300 0.038 0.000 0.851 459 R HN 0.409 nan 8.270 nan 0.000 0.432 460 F N 1.476 121.370 119.950 -0.093 0.000 2.095 460 F HA -0.209 4.320 4.527 0.003 0.000 0.298 460 F C 1.775 177.459 175.800 -0.193 0.000 1.104 460 F CA 1.608 59.541 58.000 -0.112 0.000 1.232 460 F CB -0.412 38.530 39.000 -0.097 0.000 0.987 460 F HN -0.008 nan 8.300 nan 0.000 0.475 461 L N -0.068 120.900 121.223 -0.425 0.000 2.056 461 L HA -0.180 4.161 4.340 0.002 0.000 0.207 461 L C 2.579 178.831 176.870 -1.029 0.000 1.078 461 L CA 1.860 56.178 54.840 -0.870 0.000 0.749 461 L CB -0.851 40.782 42.059 -0.711 0.000 0.901 461 L HN 0.273 nan 8.230 nan 0.000 0.433 462 E N 0.439 120.348 120.200 -0.485 0.000 2.072 462 E HA -0.214 4.137 4.350 0.002 0.000 0.191 462 E C 1.854 178.380 176.600 -0.124 0.000 0.985 462 E CA 1.240 57.541 56.400 -0.165 0.000 0.801 462 E CB 0.188 29.880 29.700 -0.013 0.000 0.750 462 E HN 0.527 nan 8.360 nan 0.000 0.452 463 E N -0.554 119.556 120.200 -0.151 0.000 2.276 463 E HA -0.037 4.314 4.350 0.002 0.000 0.193 463 E C 1.465 177.989 176.600 -0.127 0.000 0.983 463 E CA 0.578 56.924 56.400 -0.090 0.000 0.861 463 E CB 0.385 30.062 29.700 -0.039 0.000 0.817 463 E HN 0.272 nan 8.360 nan 0.000 0.485 464 E N -0.504 119.535 120.200 -0.268 0.000 2.441 464 E HA 0.045 4.396 4.350 0.002 0.000 0.212 464 E C 1.695 178.072 176.600 -0.371 0.000 0.840 464 E CA 0.087 56.323 56.400 -0.273 0.000 1.143 464 E CB 1.055 30.629 29.700 -0.210 0.000 1.153 464 E HN -0.049 nan 8.360 nan 0.000 0.539 465 V N 0.609 120.176 119.914 -0.578 0.000 2.391 465 V HA -0.131 3.990 4.120 0.002 0.000 0.237 465 V C 1.829 177.836 176.094 -0.145 0.000 1.046 465 V CA 1.162 63.193 62.300 -0.450 0.000 1.053 465 V CB -0.527 30.905 31.823 -0.653 0.000 0.704 465 V HN 0.155 nan 8.190 nan 0.000 0.475 466 Y N 0.726 120.946 120.300 -0.134 0.000 2.151 466 Y HA -0.098 4.454 4.550 0.002 0.000 0.284 466 Y C 0.136 176.017 175.900 -0.031 0.000 1.166 466 Y CA 0.803 58.866 58.100 -0.062 0.000 1.163 466 Y CB -2.589 35.840 38.460 -0.053 0.000 0.974 466 Y HN 0.377 nan 8.280 nan 0.000 0.511 467 P HA -0.146 nan 4.420 nan 0.000 0.218 467 P C 2.019 179.361 177.300 0.070 0.000 1.149 467 P CA 1.289 64.428 63.100 0.066 0.000 0.817 467 P CB -0.072 31.644 31.700 0.027 0.000 0.785 468 L N -1.316 119.943 121.223 0.061 0.000 2.109 468 L HA -0.079 4.262 4.340 0.002 0.000 0.207 468 L C 2.099 179.087 176.870 0.197 0.000 1.086 468 L CA 1.219 56.119 54.840 0.100 0.000 0.760 468 L CB -0.382 41.703 42.059 0.044 0.000 0.910 468 L HN -0.054 nan 8.230 nan 0.000 0.437 469 L N -1.113 120.211 121.223 0.168 0.000 2.341 469 L HA -0.130 4.211 4.340 0.002 0.000 0.214 469 L C 2.362 179.372 176.870 0.234 0.000 1.115 469 L CA 0.413 55.386 54.840 0.221 0.000 0.820 469 L CB -0.304 41.843 42.059 0.146 0.000 0.944 469 L HN 0.154 nan 8.230 nan 0.000 0.452 470 K N 0.626 121.113 120.400 0.145 0.000 2.059 470 K HA -0.202 4.119 4.320 0.002 0.000 0.212 470 K C -0.418 176.205 176.600 0.038 0.000 1.050 470 K CA 1.935 58.266 56.287 0.075 0.000 0.927 470 K CB -0.895 31.632 32.500 0.044 0.000 0.714 470 K HN 0.214 nan 8.250 nan 0.000 0.447 471 P HA -0.158 nan 4.420 nan 0.000 0.218 471 P C 0.334 177.484 177.300 -0.249 0.000 1.148 471 P CA 1.315 64.304 63.100 -0.185 0.000 0.822 471 P CB 0.010 31.499 31.700 -0.351 0.000 0.784 472 Y N -0.741 119.561 120.300 0.004 0.000 2.490 472 Y HA 0.075 4.627 4.550 0.002 0.000 0.281 472 Y C 2.095 177.996 175.900 0.002 0.000 1.174 472 Y CA 0.026 58.129 58.100 0.005 0.000 1.295 472 Y CB -0.778 37.689 38.460 0.012 0.000 1.062 472 Y HN -0.002 nan 8.280 nan 0.000 0.522 473 E N 0.567 120.828 120.200 0.102 0.000 2.196 473 E HA -0.261 4.090 4.350 0.002 0.000 0.222 473 E C 1.031 177.660 176.600 0.048 0.000 1.072 473 E CA 1.649 58.083 56.400 0.056 0.000 0.902 473 E CB -0.211 29.500 29.700 0.017 0.000 0.780 473 E HN 0.351 nan 8.360 nan 0.000 0.467 474 S N 0.000 115.722 115.700 0.037 0.000 2.498 474 S HA 0.000 4.471 4.470 0.002 0.000 0.327 474 S CA 0.000 58.218 58.200 0.030 0.000 1.107 474 S CB 0.000 63.212 63.200 0.019 0.000 0.593 474 S HN 0.000 nan 8.310 nan 0.000 0.517