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 3cbf_1_A DATA FIRST_RESID 5 DATA SEQUENCE SWSEAFGKGA GRIQASTIRE LLKLTQRPGI LSFAGGLPAP ELFPKEEAAE DATA SEQUENCE AAARILREKG EVALQYSPTE GYAPLRAFVA EWIGVRPEEV LITTGSQQAL DATA SEQUENCE DLVGKVFLDE GSPVLLEAPS YMGAIQAFRL QGPRFLTVPA GEEGPDLDAL DATA SEQUENCE EEVLKRERPR FLYLIPSFQN PTGGLTPLPA RKRLLQMVME RGLVVVEDDA DATA SEQUENCE YRELYFGEAR LPSLFELARE AGYPGVIYLG SFSKVLSPGL RVAFAVAHPE DATA SEQUENCE ALQKLVQAKQ GADLHTPMLN QMLVHELLKE GFSERLERVR RVYREKAQAM DATA SEQUENCE LHALDREVPK EVRYTRPKGG MFVWMELPKG LSAEGLFRRA LEENVAFVPG DATA SEQUENCE GPFFANGGGE NTLRLSYATL DREGIAEGVR RLGRALKGLL AL 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 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.345 174.600 -0.426 0.000 1.055 5 S CA 0.000 58.035 58.200 -0.276 0.000 1.107 5 S CB 0.000 63.036 63.200 -0.274 0.000 0.593 6 W N 3.371 124.478 121.300 -0.322 0.000 2.358 6 W HA -0.079 4.838 4.660 0.428 0.000 0.303 6 W C 2.781 178.672 176.519 -1.047 0.000 1.208 6 W CA 1.904 58.817 57.345 -0.720 0.000 1.274 6 W CB -0.539 28.522 29.460 -0.664 0.000 1.138 6 W HN 0.548 nan 8.180 nan 0.000 0.515 7 S N 0.035 115.571 115.700 -0.274 0.000 2.383 7 S HA -0.285 4.441 4.470 0.426 0.000 0.229 7 S C 1.635 176.208 174.600 -0.045 0.000 1.030 7 S CA 1.638 59.809 58.200 -0.048 0.000 1.002 7 S CB -0.588 62.663 63.200 0.085 0.000 0.829 7 S HN 0.333 nan 8.310 nan 0.000 0.467 8 E N 1.864 121.997 120.200 -0.111 0.000 2.107 8 E HA 0.135 4.740 4.350 0.426 0.000 0.191 8 E C 2.044 178.591 176.600 -0.088 0.000 0.982 8 E CA 1.036 57.389 56.400 -0.080 0.000 0.809 8 E CB -0.614 29.026 29.700 -0.100 0.000 0.756 8 E HN 0.635 nan 8.360 nan 0.000 0.459 9 A N -0.000 122.703 122.820 -0.195 0.000 1.968 9 A HA 0.027 4.602 4.320 0.426 0.000 0.217 9 A C 0.374 177.992 177.584 0.057 0.000 1.169 9 A CA 0.268 52.220 52.037 -0.142 0.000 0.638 9 A CB -0.485 18.336 19.000 -0.299 0.000 0.812 9 A HN 0.196 nan 8.150 nan 0.000 0.446 10 F N 0.268 120.296 119.950 0.130 0.000 2.589 10 F HA 0.409 5.192 4.527 0.428 0.000 0.352 10 F C 1.434 177.276 175.800 0.071 0.000 1.168 10 F CA -0.293 57.778 58.000 0.118 0.000 1.353 10 F CB -0.177 38.891 39.000 0.114 0.000 1.116 10 F HN 0.153 nan 8.300 nan 0.000 0.608 11 G N 1.681 110.649 108.800 0.280 0.000 2.557 11 G HA2 0.213 4.428 3.960 0.426 0.000 0.292 11 G HA3 0.213 4.428 3.960 0.426 0.000 0.292 11 G C 0.669 175.638 174.900 0.115 0.000 1.237 11 G CA -0.635 44.555 45.100 0.149 0.000 0.978 11 G HN 0.633 nan 8.290 nan 0.000 0.498 12 K N -0.305 120.140 120.400 0.074 0.000 2.209 12 K HA -0.082 4.493 4.320 0.426 0.000 0.204 12 K C 2.556 179.176 176.600 0.033 0.000 1.048 12 K CA 1.069 57.389 56.287 0.054 0.000 0.940 12 K CB -0.164 32.360 32.500 0.040 0.000 0.729 12 K HN 0.486 nan 8.250 nan 0.000 0.451 13 G N 1.463 110.276 108.800 0.021 0.000 2.418 13 G HA2 -0.282 3.934 3.960 0.426 0.000 0.217 13 G HA3 -0.282 3.934 3.960 0.426 0.000 0.217 13 G C 1.633 176.502 174.900 -0.050 0.000 1.158 13 G CA 0.924 46.019 45.100 -0.007 0.000 0.771 13 G HN 0.349 nan 8.290 nan 0.000 0.545 14 A N 0.813 123.579 122.820 -0.090 0.000 1.978 14 A HA 0.105 4.680 4.320 0.426 0.000 0.220 14 A C 2.646 180.158 177.584 -0.120 0.000 1.170 14 A CA 2.103 54.004 52.037 -0.227 0.000 0.636 14 A CB -0.916 17.792 19.000 -0.487 0.000 0.810 14 A HN 0.560 nan 8.150 nan 0.000 0.448 15 G N -0.932 107.857 108.800 -0.019 0.000 2.484 15 G HA2 -0.101 4.115 3.960 0.426 0.000 0.218 15 G HA3 -0.101 4.115 3.960 0.426 0.000 0.218 15 G C 1.598 176.498 174.900 0.000 0.000 1.130 15 G CA 0.633 45.740 45.100 0.012 0.000 0.784 15 G HN 0.612 nan 8.290 nan 0.000 0.543 16 R N -0.678 119.819 120.500 -0.006 0.000 2.312 16 R HA 0.316 4.912 4.340 0.426 0.000 0.205 16 R C 0.205 176.494 176.300 -0.017 0.000 0.904 16 R CA -0.231 55.873 56.100 0.007 0.000 1.052 16 R CB 0.387 30.704 30.300 0.028 0.000 1.014 16 R HN 0.277 nan 8.270 nan 0.000 0.503 17 I N 2.046 122.584 120.570 -0.054 0.000 2.352 17 I HA 0.058 4.484 4.170 0.426 0.000 0.290 17 I C -0.036 176.032 176.117 -0.082 0.000 1.036 17 I CA 0.282 61.533 61.300 -0.080 0.000 1.336 17 I CB 0.915 38.841 38.000 -0.124 0.000 1.407 17 I HN 0.050 nan 8.210 nan 0.000 0.497 18 Q N 4.367 124.117 119.800 -0.083 0.000 2.456 18 Q HA 0.663 5.258 4.340 0.426 0.000 0.283 18 Q C -0.794 175.147 176.000 -0.100 0.000 1.084 18 Q CA -1.048 54.705 55.803 -0.084 0.000 0.801 18 Q CB 2.436 31.128 28.738 -0.078 0.000 1.434 18 Q HN 0.741 nan 8.270 nan 0.000 0.419 19 A N 1.163 123.926 122.820 -0.095 0.000 2.445 19 A HA 0.298 4.873 4.320 0.426 0.000 0.242 19 A C 0.099 177.609 177.584 -0.125 0.000 1.075 19 A CA -0.005 51.972 52.037 -0.100 0.000 0.777 19 A CB 0.557 19.507 19.000 -0.083 0.000 1.013 19 A HN 0.515 nan 8.150 nan 0.000 0.493 20 S N 0.899 116.519 115.700 -0.133 0.000 2.499 20 S HA 0.265 4.990 4.470 0.426 0.000 0.275 20 S C 1.529 176.044 174.600 -0.141 0.000 1.257 20 S CA 0.082 58.181 58.200 -0.167 0.000 1.050 20 S CB 0.343 63.443 63.200 -0.167 0.000 0.937 20 S HN 1.181 nan 8.310 nan 0.000 0.490 21 T N 3.805 118.255 114.554 -0.174 0.000 2.867 21 T HA -0.059 4.546 4.350 0.426 0.000 0.268 21 T C 1.785 176.431 174.700 -0.089 0.000 1.057 21 T CA 1.100 63.114 62.100 -0.143 0.000 1.136 21 T CB -0.551 68.209 68.868 -0.180 0.000 0.874 21 T HN 0.675 nan 8.240 nan 0.000 0.466 22 I N 0.786 121.303 120.570 -0.088 0.000 2.163 22 I HA -0.154 4.271 4.170 0.426 0.000 0.243 22 I C 3.210 179.340 176.117 0.021 0.000 1.085 22 I CA 1.238 62.543 61.300 0.008 0.000 1.347 22 I CB -0.307 37.724 38.000 0.052 0.000 1.044 22 I HN 0.139 nan 8.210 nan 0.000 0.408 23 R N 0.594 121.085 120.500 -0.014 0.000 2.075 23 R HA -0.110 4.486 4.340 0.426 0.000 0.232 23 R C 2.096 178.395 176.300 -0.001 0.000 1.126 23 R CA 1.046 57.145 56.100 -0.001 0.000 0.963 23 R CB -0.459 29.825 30.300 -0.027 0.000 0.858 23 R HN 0.401 nan 8.270 nan 0.000 0.435 24 E N 0.940 121.128 120.200 -0.021 0.000 2.150 24 E HA -0.095 4.511 4.350 0.426 0.000 0.193 24 E C 2.184 178.790 176.600 0.010 0.000 0.985 24 E CA 0.627 57.018 56.400 -0.016 0.000 0.814 24 E CB -0.190 29.487 29.700 -0.039 0.000 0.752 24 E HN 0.305 nan 8.360 nan 0.000 0.466 25 L N 0.438 121.675 121.223 0.024 0.000 2.201 25 L HA -0.156 4.440 4.340 0.426 0.000 0.212 25 L C 2.394 179.305 176.870 0.070 0.000 1.105 25 L CA 0.241 55.120 54.840 0.064 0.000 0.775 25 L CB -0.253 41.863 42.059 0.094 0.000 0.913 25 L HN 0.136 nan 8.230 nan 0.000 0.440 26 L N 0.058 121.318 121.223 0.061 0.000 2.131 26 L HA -0.222 4.374 4.340 0.426 0.000 0.210 26 L C 2.374 179.272 176.870 0.046 0.000 1.092 26 L CA 1.747 56.623 54.840 0.061 0.000 0.759 26 L CB -0.494 41.602 42.059 0.061 0.000 0.903 26 L HN 0.120 nan 8.230 nan 0.000 0.435 27 K N -1.055 119.367 120.400 0.035 0.000 2.063 27 K HA -0.205 4.370 4.320 0.426 0.000 0.208 27 K C 1.962 178.580 176.600 0.029 0.000 1.048 27 K CA 1.694 57.996 56.287 0.026 0.000 0.928 27 K CB -0.400 32.111 32.500 0.018 0.000 0.713 27 K HN 0.274 nan 8.250 nan 0.000 0.442 28 L N 1.011 122.257 121.223 0.038 0.000 2.068 28 L HA -0.114 4.481 4.340 0.426 0.000 0.204 28 L C 2.359 179.248 176.870 0.031 0.000 1.076 28 L CA 2.113 56.975 54.840 0.037 0.000 0.753 28 L CB -0.859 41.233 42.059 0.055 0.000 0.910 28 L HN 0.277 nan 8.230 nan 0.000 0.439 29 T N -2.440 112.140 114.554 0.043 0.000 2.995 29 T HA -0.192 4.413 4.350 0.426 0.000 0.269 29 T C 1.659 176.376 174.700 0.028 0.000 1.091 29 T CA 0.971 63.092 62.100 0.035 0.000 1.128 29 T CB -0.584 68.317 68.868 0.055 0.000 0.891 29 T HN 0.703 nan 8.240 nan 0.000 0.492 30 Q N 0.698 120.519 119.800 0.035 0.000 2.472 30 Q HA 0.074 4.669 4.340 0.426 0.000 0.208 30 Q C 0.801 176.815 176.000 0.023 0.000 0.958 30 Q CA -0.027 55.797 55.803 0.034 0.000 0.932 30 Q CB -0.206 28.556 28.738 0.041 0.000 1.007 30 Q HN 0.428 nan 8.270 nan 0.000 0.508 31 R N 2.216 122.726 120.500 0.016 0.000 2.438 31 R HA 0.280 4.876 4.340 0.426 0.000 0.287 31 R C -2.356 173.946 176.300 0.003 0.000 1.077 31 R CA -1.959 54.147 56.100 0.009 0.000 1.034 31 R CB 0.264 30.568 30.300 0.007 0.000 0.993 31 R HN 0.148 nan 8.270 nan 0.000 0.459 32 P HA 0.037 nan 4.420 nan 0.000 0.268 32 P C 0.576 177.871 177.300 -0.007 0.000 1.204 32 P CA 0.516 63.615 63.100 -0.002 0.000 0.768 32 P CB 0.866 32.566 31.700 0.001 0.000 0.842 33 G N 2.372 111.164 108.800 -0.013 0.000 2.259 33 G HA2 -0.209 4.006 3.960 0.426 0.000 0.217 33 G HA3 -0.209 4.006 3.960 0.426 0.000 0.217 33 G C 0.067 174.953 174.900 -0.024 0.000 1.001 33 G CA 0.052 45.142 45.100 -0.016 0.000 0.627 33 G HN 0.686 nan 8.290 nan 0.000 0.501 34 I N 1.494 122.047 120.570 -0.027 0.000 2.365 34 I HA 0.703 5.128 4.170 0.426 0.000 0.291 34 I C 0.162 176.240 176.117 -0.064 0.000 1.004 34 I CA -1.138 60.138 61.300 -0.040 0.000 1.311 34 I CB 0.872 38.852 38.000 -0.033 0.000 1.401 34 I HN 0.045 nan 8.210 nan 0.000 0.491 35 L N 6.995 128.163 121.223 -0.091 0.000 2.295 35 L HA 0.311 4.906 4.340 0.426 0.000 0.288 35 L C 0.376 177.076 176.870 -0.282 0.000 1.079 35 L CA -0.136 54.591 54.840 -0.189 0.000 0.830 35 L CB 0.809 42.765 42.059 -0.172 0.000 1.200 35 L HN 0.717 nan 8.230 nan 0.000 0.438 36 S N 3.150 118.677 115.700 -0.288 0.000 2.422 36 S HA 0.458 5.184 4.470 0.426 0.000 0.298 36 S C 0.100 174.524 174.600 -0.295 0.000 1.118 36 S CA -0.493 57.600 58.200 -0.178 0.000 1.083 36 S CB 0.213 63.393 63.200 -0.034 0.000 0.971 36 S HN 0.438 nan 8.310 nan 0.000 0.478 37 F N 3.455 123.513 119.950 0.181 0.000 2.750 37 F HA 0.413 5.160 4.527 0.367 0.000 0.297 37 F C 1.233 177.198 175.800 0.275 0.000 1.138 37 F CA -0.368 57.764 58.000 0.220 0.000 1.346 37 F CB 0.068 39.210 39.000 0.236 0.000 0.965 37 F HN 0.678 nan 8.300 nan 0.000 0.514 38 A N 0.472 123.501 122.820 0.348 0.000 3.585 38 A HA 0.588 5.164 4.320 0.426 0.000 0.191 38 A C 1.425 179.203 177.584 0.324 0.000 1.981 38 A CA 0.295 52.534 52.037 0.337 0.000 1.145 38 A CB -1.176 17.974 19.000 0.250 0.000 1.217 38 A HN 0.235 nan 8.150 nan 0.000 0.404 39 G N -0.480 108.475 108.800 0.257 0.000 2.414 39 G HA2 0.395 4.611 3.960 0.426 0.000 0.236 39 G HA3 0.395 4.611 3.960 0.426 0.000 0.236 39 G C 0.640 175.718 174.900 0.296 0.000 1.293 39 G CA 0.167 45.429 45.100 0.270 0.000 0.869 39 G HN 1.137 nan 8.290 nan 0.000 0.556 40 G N 1.153 110.187 108.800 0.389 0.000 2.909 40 G HA2 0.310 4.526 3.960 0.426 0.000 0.269 40 G HA3 0.310 4.526 3.960 0.426 0.000 0.269 40 G C 0.114 175.110 174.900 0.160 0.000 0.726 40 G CA -0.402 44.862 45.100 0.274 0.000 2.082 40 G HN 0.388 nan 8.290 nan 0.000 0.588 41 L N 2.371 123.683 121.223 0.149 0.000 2.281 41 L HA 0.333 4.928 4.340 0.426 0.000 0.285 41 L C -1.870 175.078 176.870 0.130 0.000 1.074 41 L CA -1.668 53.263 54.840 0.152 0.000 0.817 41 L CB 1.578 43.727 42.059 0.150 0.000 1.168 41 L HN 0.098 nan 8.230 nan 0.000 0.434 42 P HA -0.004 nan 4.420 nan 0.000 0.266 42 P C -0.705 176.566 177.300 -0.049 0.000 1.193 42 P CA -0.228 62.961 63.100 0.149 0.000 0.770 42 P CB 0.490 32.305 31.700 0.191 0.000 0.836 43 A N 5.630 128.439 122.820 -0.019 0.000 2.537 43 A HA 0.104 4.680 4.320 0.426 0.000 0.260 43 A C -1.182 176.105 177.584 -0.495 0.000 1.082 43 A CA -0.441 51.487 52.037 -0.181 0.000 0.765 43 A CB -0.984 17.902 19.000 -0.191 0.000 1.019 43 A HN 0.437 nan 8.150 nan 0.000 0.507 44 P HA -0.200 nan 4.420 nan 0.000 0.219 44 P C 1.320 178.401 177.300 -0.366 0.000 1.146 44 P CA 1.496 64.273 63.100 -0.538 0.000 0.808 44 P CB 0.232 31.866 31.700 -0.110 0.000 0.779 45 E N -0.387 119.670 120.200 -0.238 0.000 2.482 45 E HA -0.084 4.521 4.350 0.426 0.000 0.196 45 E C 1.496 178.013 176.600 -0.137 0.000 1.047 45 E CA 0.564 56.886 56.400 -0.130 0.000 0.869 45 E CB -0.907 28.734 29.700 -0.097 0.000 0.836 45 E HN 0.166 nan 8.360 nan 0.000 0.520 46 L N 0.676 121.751 121.223 -0.247 0.000 2.478 46 L HA 0.164 4.759 4.340 0.426 0.000 0.223 46 L C 0.094 176.960 176.870 -0.007 0.000 1.140 46 L CA 0.371 55.116 54.840 -0.158 0.000 0.842 46 L CB -0.634 41.304 42.059 -0.200 0.000 0.953 46 L HN -0.073 nan 8.230 nan 0.000 0.452 47 F N 1.964 121.928 119.950 0.024 0.000 2.506 47 F HA 0.252 5.032 4.527 0.422 0.000 0.371 47 F C -1.360 174.447 175.800 0.011 0.000 1.078 47 F CA -3.158 54.857 58.000 0.026 0.000 1.195 47 F CB -0.484 38.532 39.000 0.026 0.000 1.099 47 F HN 0.061 nan 8.300 nan 0.000 0.548 48 P HA 0.133 nan 4.420 nan 0.000 0.225 48 P C 0.326 177.665 177.300 0.065 0.000 1.813 48 P CA -0.175 62.984 63.100 0.098 0.000 1.013 48 P CB 0.231 31.972 31.700 0.067 0.000 1.961 49 K N 0.788 121.235 120.400 0.078 0.000 2.020 49 K HA -0.224 4.351 4.320 0.426 0.000 0.212 49 K C 1.837 178.445 176.600 0.013 0.000 1.050 49 K CA 1.629 57.941 56.287 0.042 0.000 0.929 49 K CB -0.084 32.450 32.500 0.056 0.000 0.714 49 K HN 0.207 nan 8.250 nan 0.000 0.443 50 E N 1.335 121.544 120.200 0.015 0.000 2.072 50 E HA -0.201 4.404 4.350 0.426 0.000 0.191 50 E C 1.868 178.463 176.600 -0.007 0.000 0.985 50 E CA 1.484 57.885 56.400 0.002 0.000 0.801 50 E CB -0.008 29.694 29.700 0.004 0.000 0.750 50 E HN 0.290 nan 8.360 nan 0.000 0.452 51 E N -0.688 119.509 120.200 -0.005 0.000 2.106 51 E HA -0.173 4.432 4.350 0.426 0.000 0.192 51 E C 1.882 178.464 176.600 -0.031 0.000 0.984 51 E CA 0.928 57.318 56.400 -0.017 0.000 0.806 51 E CB -0.190 29.501 29.700 -0.015 0.000 0.750 51 E HN 0.324 nan 8.360 nan 0.000 0.458 52 A N 1.230 124.033 122.820 -0.029 0.000 1.902 52 A HA -0.113 4.462 4.320 0.426 0.000 0.217 52 A C 2.390 179.946 177.584 -0.047 0.000 1.181 52 A CA 1.761 53.770 52.037 -0.047 0.000 0.623 52 A CB -0.762 18.208 19.000 -0.050 0.000 0.818 52 A HN 0.404 nan 8.150 nan 0.000 0.443 53 A N -0.433 122.366 122.820 -0.035 0.000 1.877 53 A HA -0.206 4.369 4.320 0.426 0.000 0.216 53 A C 2.105 179.669 177.584 -0.034 0.000 1.186 53 A CA 1.905 53.922 52.037 -0.033 0.000 0.620 53 A CB -0.529 18.457 19.000 -0.023 0.000 0.822 53 A HN 0.534 nan 8.150 nan 0.000 0.443 54 E N 0.454 120.636 120.200 -0.031 0.000 2.051 54 E HA -0.174 4.432 4.350 0.426 0.000 0.192 54 E C 2.194 178.771 176.600 -0.038 0.000 0.991 54 E CA 1.510 57.892 56.400 -0.030 0.000 0.799 54 E CB -0.380 29.305 29.700 -0.026 0.000 0.748 54 E HN 0.453 nan 8.360 nan 0.000 0.449 55 A N 1.256 124.047 122.820 -0.047 0.000 1.898 55 A HA -0.009 4.566 4.320 0.426 0.000 0.216 55 A C 2.468 180.015 177.584 -0.062 0.000 1.181 55 A CA 2.102 54.104 52.037 -0.058 0.000 0.620 55 A CB -0.747 18.208 19.000 -0.075 0.000 0.819 55 A HN 0.372 nan 8.150 nan 0.000 0.442 56 A N 0.027 122.809 122.820 -0.063 0.000 1.883 56 A HA 0.119 4.694 4.320 0.426 0.000 0.217 56 A C 2.528 180.078 177.584 -0.056 0.000 1.186 56 A CA 2.266 54.263 52.037 -0.066 0.000 0.624 56 A CB -1.109 17.852 19.000 -0.064 0.000 0.822 56 A HN 1.079 nan 8.150 nan 0.000 0.444 57 A N -0.540 122.253 122.820 -0.046 0.000 1.908 57 A HA -0.192 4.383 4.320 0.426 0.000 0.218 57 A C 2.294 179.856 177.584 -0.036 0.000 1.181 57 A CA 1.822 53.836 52.037 -0.038 0.000 0.627 57 A CB -0.506 18.475 19.000 -0.031 0.000 0.818 57 A HN 0.550 nan 8.150 nan 0.000 0.445 58 R N -0.445 120.033 120.500 -0.037 0.000 2.075 58 R HA -0.042 4.554 4.340 0.426 0.000 0.232 58 R C 1.996 178.274 176.300 -0.036 0.000 1.126 58 R CA 1.492 57.573 56.100 -0.032 0.000 0.963 58 R CB -0.385 29.897 30.300 -0.029 0.000 0.858 58 R HN 0.546 nan 8.270 nan 0.000 0.435 59 I N 0.990 121.531 120.570 -0.049 0.000 2.163 59 I HA -0.345 4.080 4.170 0.426 0.000 0.243 59 I C 2.177 178.259 176.117 -0.058 0.000 1.085 59 I CA 1.400 62.663 61.300 -0.061 0.000 1.347 59 I CB -0.176 37.770 38.000 -0.091 0.000 1.044 59 I HN 0.227 nan 8.210 nan 0.000 0.408 60 L N -0.256 120.935 121.223 -0.054 0.000 2.072 60 L HA -0.144 4.452 4.340 0.426 0.000 0.205 60 L C 2.739 179.587 176.870 -0.037 0.000 1.079 60 L CA 1.184 55.995 54.840 -0.049 0.000 0.752 60 L CB -0.492 41.538 42.059 -0.048 0.000 0.906 60 L HN 0.114 nan 8.230 nan 0.000 0.436 61 R N -0.246 120.235 120.500 -0.032 0.000 2.070 61 R HA -0.132 4.463 4.340 0.426 0.000 0.233 61 R C 2.192 178.479 176.300 -0.020 0.000 1.137 61 R CA 1.261 57.346 56.100 -0.024 0.000 0.945 61 R CB -0.129 30.158 30.300 -0.021 0.000 0.845 61 R HN 0.259 nan 8.270 nan 0.000 0.430 62 E N 0.133 120.321 120.200 -0.020 0.000 2.250 62 E HA -0.029 4.576 4.350 0.426 0.000 0.192 62 E C 0.717 177.309 176.600 -0.012 0.000 0.986 62 E CA 0.978 57.370 56.400 -0.013 0.000 0.849 62 E CB 0.400 30.095 29.700 -0.009 0.000 0.797 62 E HN 0.268 nan 8.360 nan 0.000 0.482 63 K N -0.382 120.005 120.400 -0.022 0.000 2.619 63 K HA 0.235 4.811 4.320 0.426 0.000 0.201 63 K C 1.371 177.948 176.600 -0.039 0.000 1.090 63 K CA 0.215 56.487 56.287 -0.025 0.000 1.063 63 K CB 1.299 33.782 32.500 -0.029 0.000 0.810 63 K HN -0.010 nan 8.250 nan 0.000 0.506 64 G N 1.654 110.432 108.800 -0.036 0.000 2.469 64 G HA2 -0.279 3.937 3.960 0.426 0.000 0.220 64 G HA3 -0.279 3.937 3.960 0.426 0.000 0.220 64 G C 1.177 176.055 174.900 -0.037 0.000 1.136 64 G CA 0.951 46.027 45.100 -0.041 0.000 0.759 64 G HN 0.237 nan 8.290 nan 0.000 0.562 65 E N -0.426 119.758 120.200 -0.026 0.000 2.268 65 E HA 0.015 4.620 4.350 0.426 0.000 0.195 65 E C 2.573 179.161 176.600 -0.020 0.000 0.995 65 E CA 0.422 56.811 56.400 -0.020 0.000 0.836 65 E CB 0.080 29.774 29.700 -0.010 0.000 0.763 65 E HN 0.370 nan 8.360 nan 0.000 0.491 66 V N -0.030 119.869 119.914 -0.025 0.000 2.436 66 V HA 0.004 4.380 4.120 0.426 0.000 0.240 66 V C 2.098 178.160 176.094 -0.053 0.000 1.040 66 V CA 1.275 63.558 62.300 -0.028 0.000 1.052 66 V CB -0.520 31.294 31.823 -0.015 0.000 0.707 66 V HN 0.302 nan 8.190 nan 0.000 0.469 67 A N -0.210 122.564 122.820 -0.076 0.000 1.978 67 A HA -0.102 4.474 4.320 0.426 0.000 0.220 67 A C 2.029 179.576 177.584 -0.062 0.000 1.170 67 A CA 1.651 53.631 52.037 -0.094 0.000 0.636 67 A CB -0.442 18.493 19.000 -0.107 0.000 0.810 67 A HN 0.518 nan 8.150 nan 0.000 0.448 68 L N -1.320 119.869 121.223 -0.057 0.000 2.640 68 L HA 0.164 4.760 4.340 0.426 0.000 0.230 68 L C 0.800 177.621 176.870 -0.082 0.000 1.123 68 L CA -0.222 54.579 54.840 -0.064 0.000 0.900 68 L CB 0.126 42.149 42.059 -0.061 0.000 1.146 68 L HN 0.366 nan 8.230 nan 0.000 0.484 69 Q N -0.587 119.177 119.800 -0.059 0.000 2.248 69 Q HA 0.277 4.873 4.340 0.426 0.000 0.263 69 Q C -0.925 175.060 176.000 -0.025 0.000 1.007 69 Q CA -0.629 55.136 55.803 -0.062 0.000 0.877 69 Q CB 0.865 29.596 28.738 -0.011 0.000 1.315 69 Q HN -0.012 nan 8.270 nan 0.000 0.454 70 Y N 0.486 120.822 120.300 0.060 0.000 2.788 70 Y HA 0.256 5.061 4.550 0.425 0.000 0.341 70 Y C 0.611 176.387 175.900 -0.206 0.000 1.258 70 Y CA 0.902 59.038 58.100 0.059 0.000 1.503 70 Y CB 0.619 39.123 38.460 0.074 0.000 1.325 70 Y HN 0.524 nan 8.280 nan 0.000 0.614 71 S N 2.608 118.015 115.700 -0.489 0.000 2.627 71 S HA 0.649 5.374 4.470 0.426 0.000 0.283 71 S C -2.867 171.527 174.600 -0.344 0.000 1.127 71 S CA -1.800 56.144 58.200 -0.427 0.000 0.863 71 S CB 1.348 64.273 63.200 -0.458 0.000 1.121 71 S HN 0.295 nan 8.310 nan 0.000 0.479 72 P HA 0.204 nan 4.420 nan 0.000 0.269 72 P C 0.483 177.784 177.300 0.001 0.000 1.215 72 P CA -0.043 63.029 63.100 -0.048 0.000 0.780 72 P CB 0.284 31.974 31.700 -0.017 0.000 0.898 73 T N 0.633 115.219 114.554 0.054 0.000 2.788 73 T HA -0.153 4.452 4.350 0.426 0.000 0.268 73 T C 1.301 176.063 174.700 0.103 0.000 1.044 73 T CA 1.523 63.689 62.100 0.110 0.000 1.139 73 T CB -0.426 68.494 68.868 0.086 0.000 0.867 73 T HN 0.511 nan 8.240 nan 0.000 0.454 74 E N 0.374 120.617 120.200 0.071 0.000 2.153 74 E HA 0.247 4.853 4.350 0.426 0.000 0.194 74 E C 1.140 177.797 176.600 0.095 0.000 0.988 74 E CA 0.796 57.240 56.400 0.074 0.000 0.811 74 E CB -0.125 29.604 29.700 0.048 0.000 0.746 74 E HN 0.590 nan 8.360 nan 0.000 0.466 75 G N -0.992 107.866 108.800 0.096 0.000 2.357 75 G HA2 -0.152 4.063 3.960 0.426 0.000 0.643 75 G HA3 -0.152 4.063 3.960 0.426 0.000 0.643 75 G C -1.557 173.421 174.900 0.129 0.000 1.358 75 G CA -0.691 44.489 45.100 0.132 0.000 0.986 75 G HN 0.078 nan 8.290 nan 0.000 0.620 76 Y N 1.854 122.158 120.300 0.008 0.000 2.650 76 Y HA 0.411 5.216 4.550 0.425 0.000 0.331 76 Y C 1.617 177.483 175.900 -0.056 0.000 1.165 76 Y CA 1.025 59.103 58.100 -0.036 0.000 1.473 76 Y CB 0.850 39.281 38.460 -0.049 0.000 1.224 76 Y HN 1.155 nan 8.280 nan 0.000 0.533 77 A N 7.560 130.150 122.820 -0.383 0.000 1.865 77 A HA -0.126 4.449 4.320 0.426 0.000 0.217 77 A C -0.371 176.933 177.584 -0.466 0.000 1.191 77 A CA 1.680 53.512 52.037 -0.342 0.000 0.623 77 A CB -1.799 17.057 19.000 -0.239 0.000 0.826 77 A HN 0.723 nan 8.150 nan 0.000 0.444 78 P HA -0.132 nan 4.420 nan 0.000 0.218 78 P C 1.628 178.557 177.300 -0.618 0.000 1.148 78 P CA 0.656 63.303 63.100 -0.755 0.000 0.822 78 P CB -0.094 30.971 31.700 -1.060 0.000 0.784 79 L N -0.797 120.116 121.223 -0.517 0.000 2.056 79 L HA -0.135 4.461 4.340 0.426 0.000 0.207 79 L C 2.485 179.409 176.870 0.089 0.000 1.078 79 L CA 1.577 56.383 54.840 -0.057 0.000 0.749 79 L CB -0.270 41.860 42.059 0.119 0.000 0.901 79 L HN -0.068 nan 8.230 nan 0.000 0.433 80 R N -0.401 120.103 120.500 0.007 0.000 2.096 80 R HA -0.155 4.440 4.340 0.426 0.000 0.235 80 R C 2.182 178.499 176.300 0.029 0.000 1.127 80 R CA 1.318 57.439 56.100 0.036 0.000 0.968 80 R CB -0.402 29.904 30.300 0.009 0.000 0.861 80 R HN 0.404 nan 8.270 nan 0.000 0.440 81 A N 0.755 123.574 122.820 -0.003 0.000 1.898 81 A HA -0.163 4.412 4.320 0.426 0.000 0.216 81 A C 1.936 179.578 177.584 0.098 0.000 1.181 81 A CA 0.855 52.904 52.037 0.019 0.000 0.620 81 A CB -0.558 18.428 19.000 -0.023 0.000 0.819 81 A HN 0.322 nan 8.150 nan 0.000 0.442 82 F N 0.806 120.773 119.950 0.028 0.000 2.075 82 F HA -0.180 4.601 4.527 0.424 0.000 0.297 82 F C 2.268 178.165 175.800 0.162 0.000 1.113 82 F CA 2.130 60.200 58.000 0.115 0.000 1.218 82 F CB -0.394 38.711 39.000 0.176 0.000 0.984 82 F HN 0.032 nan 8.300 nan 0.000 0.472 83 V N 0.769 120.848 119.914 0.275 0.000 2.287 83 V HA -0.367 4.008 4.120 0.426 0.000 0.248 83 V C 2.770 178.816 176.094 -0.080 0.000 1.053 83 V CA 1.995 64.334 62.300 0.064 0.000 1.027 83 V CB -1.679 30.023 31.823 -0.203 0.000 0.646 83 V HN 0.524 nan 8.190 nan 0.000 0.447 84 A N -0.534 122.257 122.820 -0.049 0.000 1.917 84 A HA -0.299 4.276 4.320 0.426 0.000 0.219 84 A C 2.159 179.725 177.584 -0.030 0.000 1.182 84 A CA 2.283 54.294 52.037 -0.044 0.000 0.633 84 A CB -0.556 18.435 19.000 -0.016 0.000 0.819 84 A HN 0.558 nan 8.150 nan 0.000 0.448 85 E N -1.411 118.772 120.200 -0.029 0.000 2.072 85 E HA -0.179 4.427 4.350 0.426 0.000 0.191 85 E C 1.613 178.226 176.600 0.022 0.000 0.985 85 E CA 1.385 57.771 56.400 -0.024 0.000 0.801 85 E CB -0.317 29.348 29.700 -0.057 0.000 0.750 85 E HN 0.795 nan 8.360 nan 0.000 0.452 86 W N 0.521 121.668 121.300 -0.254 0.000 2.379 86 W HA -0.105 4.808 4.660 0.421 0.000 0.307 86 W C 1.444 177.922 176.519 -0.068 0.000 1.200 86 W CA 1.004 58.248 57.345 -0.168 0.000 1.297 86 W CB -0.363 28.968 29.460 -0.215 0.000 1.140 86 W HN 0.037 nan 8.180 nan 0.000 0.507 87 I N 0.658 121.137 120.570 -0.152 0.000 2.617 87 I HA 0.146 4.571 4.170 0.426 0.000 0.256 87 I C 1.877 177.925 176.117 -0.115 0.000 1.167 87 I CA 1.679 62.807 61.300 -0.287 0.000 1.469 87 I CB -1.782 35.997 38.000 -0.368 0.000 1.098 87 I HN 0.275 nan 8.210 nan 0.000 0.436 88 G N 1.663 110.436 108.800 -0.044 0.000 2.215 88 G HA2 -0.100 4.116 3.960 0.426 0.000 0.198 88 G HA3 -0.100 4.116 3.960 0.426 0.000 0.198 88 G C 0.174 175.085 174.900 0.019 0.000 1.047 88 G CA 0.252 45.349 45.100 -0.005 0.000 0.747 88 G HN 0.403 nan 8.290 nan 0.000 0.495 89 V N -3.924 116.000 119.914 0.016 0.000 3.139 89 V HA 0.942 5.317 4.120 0.426 0.000 0.310 89 V C 0.377 176.481 176.094 0.016 0.000 1.260 89 V CA -1.815 60.510 62.300 0.043 0.000 1.064 89 V CB 1.225 33.099 31.823 0.085 0.000 1.160 89 V HN 0.367 nan 8.190 nan 0.000 0.470 90 R N 0.366 120.877 120.500 0.019 0.000 2.536 90 R HA 0.491 5.086 4.340 0.426 0.000 0.279 90 R C -2.019 174.283 176.300 0.003 0.000 1.001 90 R CA -1.568 54.536 56.100 0.006 0.000 1.027 90 R CB 1.104 31.405 30.300 0.001 0.000 1.096 90 R HN 0.482 nan 8.270 nan 0.000 0.502 91 P HA -0.291 nan 4.420 nan 0.000 0.216 91 P C 0.722 178.024 177.300 0.002 0.000 1.154 91 P CA 1.520 64.617 63.100 -0.005 0.000 0.865 91 P CB 0.118 31.809 31.700 -0.016 0.000 0.789 92 E N 0.422 120.622 120.200 -0.001 0.000 2.333 92 E HA -0.200 4.405 4.350 0.426 0.000 0.198 92 E C 1.110 177.716 176.600 0.010 0.000 1.007 92 E CA 1.000 57.401 56.400 0.001 0.000 0.845 92 E CB -0.717 28.978 29.700 -0.009 0.000 0.766 92 E HN 0.385 nan 8.360 nan 0.000 0.507 93 E N 0.714 120.924 120.200 0.018 0.000 2.479 93 E HA 0.095 4.700 4.350 0.426 0.000 0.193 93 E C -0.313 176.316 176.600 0.049 0.000 1.049 93 E CA -0.103 56.318 56.400 0.036 0.000 0.870 93 E CB 0.946 30.679 29.700 0.055 0.000 0.944 93 E HN 0.058 nan 8.360 nan 0.000 0.492 94 V N 2.205 122.146 119.914 0.045 0.000 2.435 94 V HA 0.250 4.625 4.120 0.426 0.000 0.290 94 V C -0.573 175.578 176.094 0.094 0.000 1.030 94 V CA -0.913 61.429 62.300 0.070 0.000 0.881 94 V CB 1.650 33.498 31.823 0.041 0.000 0.983 94 V HN 0.082 nan 8.190 nan 0.000 0.445 95 L N 6.441 127.742 121.223 0.131 0.000 2.325 95 L HA 0.593 5.189 4.340 0.426 0.000 0.281 95 L C -0.443 176.542 176.870 0.192 0.000 1.004 95 L CA -0.153 54.767 54.840 0.134 0.000 0.823 95 L CB 1.175 43.298 42.059 0.108 0.000 1.236 95 L HN 0.405 nan 8.230 nan 0.000 0.415 96 I N 4.364 125.051 120.570 0.196 0.000 2.471 96 I HA 0.277 4.703 4.170 0.426 0.000 0.286 96 I C 0.831 177.059 176.117 0.186 0.000 1.079 96 I CA 0.157 61.601 61.300 0.240 0.000 1.398 96 I CB 0.495 38.639 38.000 0.239 0.000 1.403 96 I HN 0.784 nan 8.210 nan 0.000 0.530 97 T N 1.224 115.884 114.554 0.177 0.000 2.926 97 T HA 0.429 5.034 4.350 0.426 0.000 0.289 97 T C 0.199 174.965 174.700 0.110 0.000 1.054 97 T CA -0.668 61.502 62.100 0.116 0.000 1.015 97 T CB 1.528 70.438 68.868 0.070 0.000 1.167 97 T HN 0.459 nan 8.240 nan 0.000 0.526 98 T N 1.935 116.534 114.554 0.074 0.000 3.855 98 T HA 0.588 5.194 4.350 0.426 0.000 0.306 98 T C 0.706 175.436 174.700 0.049 0.000 1.575 98 T CA 0.358 62.494 62.100 0.061 0.000 1.214 98 T CB -1.025 67.865 68.868 0.037 0.000 1.262 98 T HN 1.371 nan 8.240 nan 0.000 0.883 99 G N 1.692 110.528 108.800 0.061 0.000 2.733 99 G HA2 -0.212 4.004 3.960 0.426 0.000 0.686 99 G HA3 -0.212 4.004 3.960 0.426 0.000 0.686 99 G C 0.831 175.726 174.900 -0.009 0.000 1.373 99 G CA -0.334 44.785 45.100 0.032 0.000 0.838 99 G HN 0.682 nan 8.290 nan 0.000 0.588 100 S N -0.429 115.233 115.700 -0.063 0.000 2.453 100 S HA -0.085 4.640 4.470 0.426 0.000 0.231 100 S C 2.003 176.586 174.600 -0.029 0.000 1.005 100 S CA 1.648 59.786 58.200 -0.104 0.000 0.949 100 S CB 0.053 63.126 63.200 -0.212 0.000 0.774 100 S HN 1.091 nan 8.310 nan 0.000 0.510 101 Q N 2.120 121.925 119.800 0.010 0.000 2.112 101 Q HA -0.216 4.380 4.340 0.426 0.000 0.206 101 Q C 2.220 178.232 176.000 0.020 0.000 0.987 101 Q CA 2.308 58.136 55.803 0.042 0.000 0.858 101 Q CB -0.738 28.033 28.738 0.055 0.000 0.905 101 Q HN 0.815 nan 8.270 nan 0.000 0.420 102 Q N -1.139 118.672 119.800 0.019 0.000 2.084 102 Q HA -0.173 4.422 4.340 0.426 0.000 0.202 102 Q C 1.872 177.892 176.000 0.033 0.000 0.978 102 Q CA 1.646 57.465 55.803 0.025 0.000 0.844 102 Q CB -0.366 28.390 28.738 0.030 0.000 0.898 102 Q HN 0.489 nan 8.270 nan 0.000 0.426 103 A N 0.742 123.573 122.820 0.019 0.000 1.940 103 A HA -0.180 4.395 4.320 0.426 0.000 0.219 103 A C 2.030 179.648 177.584 0.057 0.000 1.176 103 A CA 1.407 53.457 52.037 0.021 0.000 0.631 103 A CB -0.726 18.256 19.000 -0.029 0.000 0.814 103 A HN 0.471 nan 8.150 nan 0.000 0.446 104 L N -0.722 120.537 121.223 0.061 0.000 2.046 104 L HA -0.196 4.400 4.340 0.426 0.000 0.208 104 L C 2.444 179.429 176.870 0.192 0.000 1.077 104 L CA 1.749 56.660 54.840 0.118 0.000 0.747 104 L CB -0.742 41.279 42.059 -0.064 0.000 0.896 104 L HN 0.440 nan 8.230 nan 0.000 0.432 105 D N 0.495 120.951 120.400 0.094 0.000 2.123 105 D HA -0.196 4.699 4.640 0.426 0.000 0.196 105 D C 2.234 178.610 176.300 0.128 0.000 0.992 105 D CA 1.447 55.509 54.000 0.103 0.000 0.833 105 D CB -0.016 40.813 40.800 0.048 0.000 0.954 105 D HN 0.210 nan 8.370 nan 0.000 0.455 106 L N 0.014 121.298 121.223 0.102 0.000 2.072 106 L HA -0.086 4.509 4.340 0.426 0.000 0.205 106 L C 2.701 179.639 176.870 0.113 0.000 1.079 106 L CA 1.059 55.950 54.840 0.085 0.000 0.752 106 L CB -0.615 41.482 42.059 0.063 0.000 0.906 106 L HN 0.130 nan 8.230 nan 0.000 0.436 107 V N -2.468 117.532 119.914 0.144 0.000 2.427 107 V HA -0.046 4.329 4.120 0.426 0.000 0.248 107 V C 2.368 178.626 176.094 0.273 0.000 1.051 107 V CA 1.688 64.095 62.300 0.178 0.000 1.048 107 V CB -1.671 30.094 31.823 -0.096 0.000 0.666 107 V HN 0.360 nan 8.190 nan 0.000 0.456 108 G N 0.451 109.426 108.800 0.291 0.000 2.446 108 G HA2 -0.273 3.942 3.960 0.426 0.000 0.217 108 G HA3 -0.273 3.942 3.960 0.426 0.000 0.217 108 G C 1.641 176.652 174.900 0.186 0.000 1.168 108 G CA 1.205 46.483 45.100 0.296 0.000 0.771 108 G HN 0.561 nan 8.290 nan 0.000 0.551 109 K N -0.288 120.190 120.400 0.130 0.000 2.057 109 K HA 0.007 4.582 4.320 0.426 0.000 0.207 109 K C 2.555 179.151 176.600 -0.007 0.000 1.049 109 K CA 1.045 57.364 56.287 0.054 0.000 0.931 109 K CB -0.223 32.299 32.500 0.037 0.000 0.714 109 K HN 0.221 nan 8.250 nan 0.000 0.440 110 V N 0.110 119.995 119.914 -0.049 0.000 2.548 110 V HA -0.150 4.226 4.120 0.426 0.000 0.249 110 V C 1.433 177.250 176.094 -0.461 0.000 1.055 110 V CA 1.609 63.730 62.300 -0.299 0.000 1.065 110 V CB -0.295 31.271 31.823 -0.427 0.000 0.681 110 V HN 0.187 nan 8.190 nan 0.000 0.462 111 F N -1.358 118.637 119.950 0.075 0.000 2.712 111 F HA 0.400 5.182 4.527 0.426 0.000 0.297 111 F C 0.719 176.529 175.800 0.017 0.000 1.114 111 F CA -0.039 58.019 58.000 0.098 0.000 1.305 111 F CB 0.355 39.523 39.000 0.280 0.000 1.086 111 F HN -0.070 nan 8.300 nan 0.000 0.599 112 L N 0.740 122.039 121.223 0.127 0.000 2.334 112 L HA 0.500 5.095 4.340 0.426 0.000 0.276 112 L C -0.886 175.972 176.870 -0.020 0.000 1.014 112 L CA -0.770 54.065 54.840 -0.008 0.000 0.815 112 L CB 1.554 43.565 42.059 -0.079 0.000 1.268 112 L HN -0.117 nan 8.230 nan 0.000 0.428 113 D N 0.401 120.773 120.400 -0.047 0.000 2.531 113 D HA 0.206 5.102 4.640 0.426 0.000 0.244 113 D C -0.657 175.613 176.300 -0.051 0.000 1.090 113 D CA -0.666 53.312 54.000 -0.036 0.000 0.989 113 D CB 1.659 42.442 40.800 -0.029 0.000 1.433 113 D HN 0.416 nan 8.370 nan 0.000 0.492 114 E N -0.037 120.143 120.200 -0.034 0.000 2.694 114 E HA 0.162 4.767 4.350 0.426 0.000 0.250 114 E C 0.863 177.437 176.600 -0.044 0.000 0.963 114 E CA 0.879 57.260 56.400 -0.033 0.000 0.949 114 E CB 0.196 29.887 29.700 -0.016 0.000 0.911 114 E HN 0.744 nan 8.360 nan 0.000 0.500 115 G N 3.179 111.944 108.800 -0.057 0.000 2.184 115 G HA2 -0.352 3.863 3.960 0.426 0.000 0.264 115 G HA3 -0.352 3.863 3.960 0.426 0.000 0.264 115 G C 0.325 175.175 174.900 -0.084 0.000 0.975 115 G CA 0.528 45.593 45.100 -0.059 0.000 0.642 115 G HN 0.712 nan 8.290 nan 0.000 0.536 116 S N 1.454 117.090 115.700 -0.106 0.000 2.549 116 S HA 0.576 5.301 4.470 0.426 0.000 0.279 116 S C -1.784 172.701 174.600 -0.192 0.000 1.321 116 S CA -0.661 57.463 58.200 -0.127 0.000 1.054 116 S CB 1.934 65.063 63.200 -0.119 0.000 0.899 116 S HN 0.381 nan 8.310 nan 0.000 0.497 117 P HA 0.295 nan 4.420 nan 0.000 0.280 117 P C -0.752 176.356 177.300 -0.320 0.000 1.244 117 P CA -0.388 62.590 63.100 -0.203 0.000 0.784 117 P CB 1.238 32.861 31.700 -0.127 0.000 0.913 118 V N 5.111 124.790 119.914 -0.393 0.000 2.735 118 V HA 0.519 4.895 4.120 0.426 0.000 0.310 118 V C -0.984 174.964 176.094 -0.243 0.000 1.061 118 V CA -1.250 60.734 62.300 -0.526 0.000 0.913 118 V CB 2.072 33.395 31.823 -0.832 0.000 1.005 118 V HN 0.429 nan 8.190 nan 0.000 0.428 119 L N 7.136 128.257 121.223 -0.170 0.000 2.313 119 L HA 0.809 5.405 4.340 0.426 0.000 0.283 119 L C -1.149 175.806 176.870 0.141 0.000 1.013 119 L CA -0.276 54.570 54.840 0.010 0.000 0.816 119 L CB 1.370 43.431 42.059 0.003 0.000 1.236 119 L HN 0.761 nan 8.230 nan 0.000 0.419 120 L N 1.350 122.700 121.223 0.211 0.000 2.389 120 L HA 0.679 5.274 4.340 0.426 0.000 0.249 120 L C -0.577 176.384 176.870 0.151 0.000 1.083 120 L CA -0.872 54.129 54.840 0.268 0.000 0.876 120 L CB 1.028 43.370 42.059 0.471 0.000 1.489 120 L HN 0.434 nan 8.230 nan 0.000 0.412 121 E N 0.071 120.332 120.200 0.102 0.000 2.374 121 E HA 0.640 5.246 4.350 0.426 0.000 0.260 121 E C -0.789 175.781 176.600 -0.049 0.000 1.101 121 E CA -0.477 55.928 56.400 0.007 0.000 0.907 121 E CB 1.201 30.869 29.700 -0.054 0.000 1.014 121 E HN 0.790 nan 8.360 nan 0.000 0.427 122 A N 3.561 126.333 122.820 -0.080 0.000 2.293 122 A HA 0.418 4.994 4.320 0.426 0.000 0.312 122 A C -2.358 175.027 177.584 -0.332 0.000 1.309 122 A CA -1.511 50.409 52.037 -0.194 0.000 0.839 122 A CB 0.434 19.491 19.000 0.096 0.000 1.155 122 A HN 0.330 nan 8.150 nan 0.000 0.501 123 P HA 0.483 nan 4.420 nan 0.000 0.278 123 P C -0.086 176.922 177.300 -0.487 0.000 1.258 123 P CA -0.173 62.321 63.100 -1.010 0.000 0.811 123 P CB 1.926 32.834 31.700 -1.321 0.000 1.063 124 S N -0.505 115.036 115.700 -0.265 0.000 2.794 124 S HA 0.371 5.096 4.470 0.426 0.000 0.299 124 S C -1.420 173.285 174.600 0.175 0.000 1.179 124 S CA -0.573 57.613 58.200 -0.023 0.000 0.838 124 S CB 0.196 63.475 63.200 0.131 0.000 1.206 124 S HN 0.357 nan 8.310 nan 0.000 0.523 125 Y N 3.435 123.826 120.300 0.152 0.000 2.569 125 Y HA 0.198 4.987 4.550 0.398 0.000 0.332 125 Y C 1.566 177.461 175.900 -0.007 0.000 1.120 125 Y CA 0.425 58.621 58.100 0.161 0.000 1.416 125 Y CB 0.329 38.908 38.460 0.199 0.000 1.210 125 Y HN 0.734 nan 8.280 nan 0.000 0.528 126 M N 3.872 123.207 119.600 -0.441 0.000 2.279 126 M HA 0.042 4.777 4.480 0.426 0.000 0.264 126 M C 1.660 177.432 176.300 -0.881 0.000 1.062 126 M CA 2.140 57.035 55.300 -0.675 0.000 1.099 126 M CB -0.684 31.457 32.600 -0.765 0.000 1.394 126 M HN 0.688 nan 8.290 nan 0.000 0.426 127 G N 0.242 108.081 108.800 -1.602 0.000 2.408 127 G HA2 0.005 4.220 3.960 0.426 0.000 0.217 127 G HA3 0.005 4.220 3.960 0.426 0.000 0.217 127 G C 1.607 175.987 174.900 -0.866 0.000 1.150 127 G CA 0.905 45.295 45.100 -1.182 0.000 0.776 127 G HN 0.653 nan 8.290 nan 0.000 0.542 128 A N 0.952 123.193 122.820 -0.965 0.000 1.873 128 A HA 0.077 4.652 4.320 0.426 0.000 0.215 128 A C 2.377 179.286 177.584 -1.125 0.000 1.186 128 A CA 1.225 52.600 52.037 -1.103 0.000 0.616 128 A CB -0.369 17.938 19.000 -1.154 0.000 0.823 128 A HN 0.351 nan 8.150 nan 0.000 0.442 129 I N -0.451 119.741 120.570 -0.630 0.000 2.163 129 I HA -0.347 4.079 4.170 0.426 0.000 0.243 129 I C 2.829 178.809 176.117 -0.229 0.000 1.085 129 I CA 1.991 63.082 61.300 -0.349 0.000 1.347 129 I CB -0.401 37.337 38.000 -0.438 0.000 1.044 129 I HN 0.534 nan 8.210 nan 0.000 0.408 130 Q N 1.042 120.641 119.800 -0.334 0.000 2.046 130 Q HA -0.220 4.376 4.340 0.426 0.000 0.200 130 Q C 2.393 178.307 176.000 -0.142 0.000 0.975 130 Q CA 1.863 57.536 55.803 -0.217 0.000 0.836 130 Q CB -0.111 28.469 28.738 -0.263 0.000 0.896 130 Q HN 0.539 nan 8.270 nan 0.000 0.428 131 A N 0.463 123.136 122.820 -0.246 0.000 1.883 131 A HA -0.187 4.388 4.320 0.426 0.000 0.217 131 A C 1.727 179.376 177.584 0.109 0.000 1.186 131 A CA 1.531 53.495 52.037 -0.122 0.000 0.624 131 A CB -0.872 18.000 19.000 -0.213 0.000 0.822 131 A HN 0.478 nan 8.150 nan 0.000 0.444 132 F N -0.476 119.516 119.950 0.071 0.000 2.186 132 F HA 0.009 4.797 4.527 0.434 0.000 0.299 132 F C 2.297 178.156 175.800 0.098 0.000 1.090 132 F CA 0.855 58.917 58.000 0.104 0.000 1.307 132 F CB -1.096 37.991 39.000 0.146 0.000 1.019 132 F HN 0.211 nan 8.300 nan 0.000 0.489 133 R N 0.722 121.461 120.500 0.398 0.000 2.117 133 R HA -0.170 4.425 4.340 0.426 0.000 0.243 133 R C 2.319 178.705 176.300 0.144 0.000 1.143 133 R CA 0.872 57.164 56.100 0.320 0.000 0.968 133 R CB -0.576 29.867 30.300 0.239 0.000 0.863 133 R HN 0.295 nan 8.270 nan 0.000 0.444 134 L N 0.613 121.897 121.223 0.102 0.000 2.137 134 L HA -0.253 4.343 4.340 0.426 0.000 0.213 134 L C 1.402 178.300 176.870 0.047 0.000 1.085 134 L CA 1.586 56.459 54.840 0.055 0.000 0.760 134 L CB -0.200 41.888 42.059 0.047 0.000 0.893 134 L HN 0.413 nan 8.230 nan 0.000 0.434 135 Q N -0.691 119.142 119.800 0.055 0.000 2.403 135 Q HA 0.106 4.702 4.340 0.426 0.000 0.203 135 Q C 1.263 177.258 176.000 -0.009 0.000 0.932 135 Q CA 0.801 56.617 55.803 0.021 0.000 0.945 135 Q CB 0.302 29.052 28.738 0.020 0.000 1.045 135 Q HN 0.582 nan 8.270 nan 0.000 0.511 136 G N 2.676 111.475 108.800 -0.001 0.000 2.198 136 G HA2 -0.194 4.022 3.960 0.426 0.000 0.257 136 G HA3 -0.194 4.022 3.960 0.426 0.000 0.257 136 G C -2.307 172.546 174.900 -0.078 0.000 1.042 136 G CA 0.021 45.112 45.100 -0.014 0.000 0.791 136 G HN 0.264 nan 8.290 nan 0.000 0.502 137 P HA 0.382 nan 4.420 nan 0.000 0.276 137 P C -0.163 176.949 177.300 -0.313 0.000 1.261 137 P CA -0.484 62.430 63.100 -0.311 0.000 0.800 137 P CB 0.865 32.243 31.700 -0.537 0.000 1.066 138 R N 0.625 120.964 120.500 -0.268 0.000 2.207 138 R HA 0.384 4.979 4.340 0.426 0.000 0.334 138 R C -0.387 175.778 176.300 -0.224 0.000 1.013 138 R CA -0.455 55.552 56.100 -0.155 0.000 0.858 138 R CB -0.025 30.230 30.300 -0.075 0.000 1.094 138 R HN 0.396 nan 8.270 nan 0.000 0.457 139 F N 4.142 124.086 119.950 -0.010 0.000 2.472 139 F HA 0.184 4.970 4.527 0.431 0.000 0.364 139 F C 0.453 176.256 175.800 0.004 0.000 1.090 139 F CA -0.298 57.702 58.000 0.000 0.000 1.188 139 F CB 0.507 39.527 39.000 0.033 0.000 1.105 139 F HN 0.182 nan 8.300 nan 0.000 0.536 140 L N 3.733 125.035 121.223 0.132 0.000 2.295 140 L HA 0.598 5.193 4.340 0.426 0.000 0.285 140 L C 0.172 177.117 176.870 0.125 0.000 1.035 140 L CA -0.671 54.226 54.840 0.095 0.000 0.806 140 L CB 1.643 43.720 42.059 0.029 0.000 1.214 140 L HN 0.634 nan 8.230 nan 0.000 0.426 141 T N -0.136 114.485 114.554 0.112 0.000 2.924 141 T HA 0.784 5.390 4.350 0.426 0.000 0.291 141 T C -0.424 174.321 174.700 0.075 0.000 1.045 141 T CA -0.794 61.368 62.100 0.104 0.000 1.015 141 T CB 2.118 71.054 68.868 0.114 0.000 1.103 141 T HN 0.439 nan 8.240 nan 0.000 0.496 142 V N -1.710 118.241 119.914 0.061 0.000 2.823 142 V HA 0.797 5.172 4.120 0.426 0.000 0.312 142 V C -3.202 172.916 176.094 0.039 0.000 1.072 142 V CA -3.190 59.138 62.300 0.046 0.000 0.937 142 V CB 1.396 33.237 31.823 0.030 0.000 1.013 142 V HN 0.742 nan 8.190 nan 0.000 0.430 143 P HA 0.433 nan 4.420 nan 0.000 0.268 143 P C -0.539 176.764 177.300 0.004 0.000 1.205 143 P CA 0.439 63.568 63.100 0.047 0.000 0.771 143 P CB 0.712 32.451 31.700 0.066 0.000 0.858 144 A N 2.400 125.201 122.820 -0.031 0.000 2.355 144 A HA 0.832 5.408 4.320 0.426 0.000 0.324 144 A C 0.092 177.643 177.584 -0.056 0.000 1.117 144 A CA -0.211 51.783 52.037 -0.071 0.000 0.785 144 A CB 1.480 20.393 19.000 -0.144 0.000 1.254 144 A HN 0.586 nan 8.150 nan 0.000 0.453 145 G N -0.510 108.266 108.800 -0.041 0.000 3.086 145 G HA2 0.462 4.677 3.960 0.426 0.000 0.282 145 G HA3 0.462 4.677 3.960 0.426 0.000 0.282 145 G C 0.286 175.179 174.900 -0.012 0.000 1.343 145 G CA 0.089 45.185 45.100 -0.006 0.000 0.895 145 G HN 0.633 nan 8.290 nan 0.000 0.557 146 E N -0.438 119.777 120.200 0.024 0.000 2.219 146 E HA -0.110 4.496 4.350 0.426 0.000 0.198 146 E C 1.654 178.264 176.600 0.016 0.000 0.998 146 E CA 1.624 58.045 56.400 0.035 0.000 0.818 146 E CB 0.120 29.850 29.700 0.050 0.000 0.741 146 E HN 0.550 nan 8.360 nan 0.000 0.477 147 E N -1.019 119.183 120.200 0.002 0.000 2.499 147 E HA 0.265 4.871 4.350 0.426 0.000 0.199 147 E C 0.285 176.867 176.600 -0.030 0.000 1.016 147 E CA 0.057 56.450 56.400 -0.011 0.000 0.933 147 E CB 0.661 30.358 29.700 -0.004 0.000 1.050 147 E HN 0.338 nan 8.360 nan 0.000 0.462 148 G N 2.337 111.112 108.800 -0.042 0.000 2.545 148 G HA2 -0.203 4.012 3.960 0.426 0.000 0.216 148 G HA3 -0.203 4.012 3.960 0.426 0.000 0.216 148 G C -2.702 172.170 174.900 -0.048 0.000 1.314 148 G CA -0.878 44.186 45.100 -0.060 0.000 0.906 148 G HN 0.037 nan 8.290 nan 0.000 0.563 149 P HA 0.298 nan 4.420 nan 0.000 0.272 149 P C -0.837 176.452 177.300 -0.017 0.000 1.223 149 P CA -0.044 63.038 63.100 -0.031 0.000 0.784 149 P CB 0.774 32.457 31.700 -0.029 0.000 0.923 150 D N 2.066 122.462 120.400 -0.005 0.000 2.344 150 D HA 0.052 4.948 4.640 0.426 0.000 0.253 150 D C 1.119 177.419 176.300 -0.000 0.000 1.255 150 D CA 0.039 54.040 54.000 0.002 0.000 0.894 150 D CB 0.087 40.894 40.800 0.013 0.000 1.067 150 D HN 0.223 nan 8.370 nan 0.000 0.492 151 L N 2.844 124.063 121.223 -0.006 0.000 2.240 151 L HA -0.062 4.533 4.340 0.426 0.000 0.211 151 L C 1.610 178.477 176.870 -0.005 0.000 1.106 151 L CA 0.418 55.253 54.840 -0.009 0.000 0.793 151 L CB -0.044 42.006 42.059 -0.015 0.000 0.927 151 L HN 0.336 nan 8.230 nan 0.000 0.446 152 D N 0.799 121.198 120.400 -0.002 0.000 2.097 152 D HA -0.156 4.739 4.640 0.426 0.000 0.195 152 D C 2.257 178.559 176.300 0.004 0.000 0.989 152 D CA 1.552 55.552 54.000 -0.000 0.000 0.827 152 D CB 0.043 40.845 40.800 0.002 0.000 0.966 152 D HN 0.280 nan 8.370 nan 0.000 0.456 153 A N 1.014 123.839 122.820 0.008 0.000 1.902 153 A HA -0.160 4.416 4.320 0.426 0.000 0.217 153 A C 2.169 179.760 177.584 0.011 0.000 1.181 153 A CA 1.022 53.067 52.037 0.014 0.000 0.623 153 A CB -0.738 18.274 19.000 0.021 0.000 0.818 153 A HN 0.211 nan 8.150 nan 0.000 0.443 154 L N -0.047 121.180 121.223 0.007 0.000 2.012 154 L HA -0.166 4.430 4.340 0.426 0.000 0.210 154 L C 2.251 179.122 176.870 0.000 0.000 1.073 154 L CA 2.754 57.596 54.840 0.005 0.000 0.748 154 L CB -0.874 41.185 42.059 -0.000 0.000 0.891 154 L HN 0.481 nan 8.230 nan 0.000 0.431 155 E N -0.308 119.890 120.200 -0.004 0.000 2.114 155 E HA -0.245 4.360 4.350 0.426 0.000 0.199 155 E C 2.078 178.676 176.600 -0.003 0.000 1.008 155 E CA 1.654 58.050 56.400 -0.006 0.000 0.810 155 E CB -0.113 29.582 29.700 -0.008 0.000 0.739 155 E HN 0.492 nan 8.360 nan 0.000 0.456 156 E N -0.397 119.803 120.200 0.001 0.000 2.106 156 E HA -0.097 4.508 4.350 0.426 0.000 0.192 156 E C 2.263 178.865 176.600 0.004 0.000 0.984 156 E CA 0.925 57.327 56.400 0.003 0.000 0.806 156 E CB -0.300 29.404 29.700 0.007 0.000 0.750 156 E HN 0.217 nan 8.360 nan 0.000 0.458 157 V N 1.277 121.194 119.914 0.006 0.000 2.295 157 V HA -0.232 4.143 4.120 0.426 0.000 0.246 157 V C 2.325 178.418 176.094 -0.002 0.000 1.049 157 V CA 1.233 63.536 62.300 0.005 0.000 1.024 157 V CB -0.424 31.404 31.823 0.009 0.000 0.648 157 V HN 0.177 nan 8.190 nan 0.000 0.447 158 L N -0.253 120.968 121.223 -0.004 0.000 2.275 158 L HA -0.078 4.517 4.340 0.426 0.000 0.215 158 L C 2.251 179.116 176.870 -0.008 0.000 1.119 158 L CA 1.588 56.423 54.840 -0.008 0.000 0.790 158 L CB -1.070 40.983 42.059 -0.010 0.000 0.919 158 L HN 0.329 nan 8.230 nan 0.000 0.443 159 K N -1.013 119.384 120.400 -0.006 0.000 2.211 159 K HA -0.078 4.497 4.320 0.426 0.000 0.203 159 K C 1.914 178.511 176.600 -0.005 0.000 1.050 159 K CA 1.027 57.310 56.287 -0.006 0.000 0.945 159 K CB 0.044 32.541 32.500 -0.004 0.000 0.732 159 K HN 0.248 nan 8.250 nan 0.000 0.451 160 R N -0.515 119.982 120.500 -0.004 0.000 2.369 160 R HA 0.142 4.737 4.340 0.426 0.000 0.210 160 R C -0.096 176.199 176.300 -0.007 0.000 0.881 160 R CA 0.063 56.160 56.100 -0.004 0.000 1.031 160 R CB 0.803 31.102 30.300 -0.001 0.000 1.184 160 R HN -0.057 nan 8.270 nan 0.000 0.581 161 E N 0.449 120.643 120.200 -0.010 0.000 2.317 161 E HA 0.278 4.884 4.350 0.426 0.000 0.270 161 E C -1.442 175.146 176.600 -0.021 0.000 0.885 161 E CA -0.843 55.547 56.400 -0.017 0.000 0.760 161 E CB 1.435 31.123 29.700 -0.019 0.000 1.227 161 E HN -0.215 nan 8.360 nan 0.000 0.434 162 R N 4.020 124.504 120.500 -0.026 0.000 2.335 162 R HA 0.462 5.057 4.340 0.426 0.000 0.302 162 R C -2.610 173.661 176.300 -0.048 0.000 1.147 162 R CA -2.437 53.647 56.100 -0.026 0.000 1.111 162 R CB 0.413 30.703 30.300 -0.015 0.000 1.122 162 R HN 0.309 nan 8.270 nan 0.000 0.557 163 P HA 0.198 nan 4.420 nan 0.000 0.275 163 P C 0.076 177.299 177.300 -0.127 0.000 1.228 163 P CA -0.436 62.591 63.100 -0.120 0.000 0.786 163 P CB 0.881 32.510 31.700 -0.119 0.000 0.927 164 R N 1.435 121.808 120.500 -0.211 0.000 2.120 164 R HA 0.023 4.619 4.340 0.426 0.000 0.234 164 R C 0.795 177.035 176.300 -0.099 0.000 1.123 164 R CA 1.378 57.398 56.100 -0.134 0.000 0.975 164 R CB -0.779 29.433 30.300 -0.146 0.000 0.866 164 R HN 0.672 nan 8.270 nan 0.000 0.446 165 F N -3.157 116.677 119.950 -0.193 0.000 2.741 165 F HA 0.501 5.281 4.527 0.423 0.000 0.313 165 F C -1.568 174.163 175.800 -0.116 0.000 1.153 165 F CA -1.878 55.990 58.000 -0.221 0.000 0.931 165 F CB 0.561 39.321 39.000 -0.400 0.000 1.335 165 F HN -0.355 nan 8.300 nan 0.000 0.460 166 L N 2.563 123.944 121.223 0.264 0.000 2.296 166 L HA 0.419 5.015 4.340 0.426 0.000 0.286 166 L C -1.058 176.041 176.870 0.382 0.000 1.023 166 L CA -0.644 54.327 54.840 0.218 0.000 0.812 166 L CB 1.157 43.282 42.059 0.108 0.000 1.223 166 L HN 0.675 nan 8.230 nan 0.000 0.421 167 Y N 4.798 125.293 120.300 0.323 0.000 2.341 167 Y HA 0.738 5.538 4.550 0.418 0.000 0.340 167 Y C -1.120 174.895 175.900 0.191 0.000 0.997 167 Y CA -0.558 57.740 58.100 0.329 0.000 1.149 167 Y CB 0.667 39.479 38.460 0.586 0.000 1.171 167 Y HN 0.469 nan 8.280 nan 0.000 0.494 168 L N 7.273 128.213 121.223 -0.471 0.000 2.393 168 L HA 0.551 5.147 4.340 0.426 0.000 0.260 168 L C -1.016 175.563 176.870 -0.485 0.000 1.002 168 L CA -0.972 53.641 54.840 -0.378 0.000 0.818 168 L CB 2.688 44.655 42.059 -0.153 0.000 1.369 168 L HN 0.537 nan 8.230 nan 0.000 0.412 169 I N 2.358 122.732 120.570 -0.326 0.000 2.782 169 I HA 0.229 4.654 4.170 0.426 0.000 0.279 169 I C -1.866 174.155 176.117 -0.161 0.000 1.247 169 I CA -1.163 59.999 61.300 -0.229 0.000 1.062 169 I CB 1.216 39.127 38.000 -0.148 0.000 1.421 169 I HN 0.371 nan 8.210 nan 0.000 0.558 170 P HA -0.020 nan 4.420 nan 0.000 0.223 170 P C 0.275 177.427 177.300 -0.248 0.000 1.151 170 P CA 0.979 63.983 63.100 -0.160 0.000 0.787 170 P CB 0.271 31.899 31.700 -0.120 0.000 0.788 171 S N 0.644 116.167 115.700 -0.294 0.000 2.474 171 S HA 0.407 5.133 4.470 0.426 0.000 0.320 171 S C -0.704 173.557 174.600 -0.565 0.000 1.067 171 S CA -0.475 57.336 58.200 -0.648 0.000 1.127 171 S CB -0.788 62.085 63.200 -0.545 0.000 0.971 171 S HN 0.030 nan 8.310 nan 0.000 0.472 172 F N 0.478 120.405 119.950 -0.039 0.000 2.781 172 F HA -0.170 4.609 4.527 0.419 0.000 0.350 172 F C 0.662 176.382 175.800 -0.134 0.000 1.048 172 F CA -0.128 57.803 58.000 -0.115 0.000 1.134 172 F CB -1.988 36.897 39.000 -0.191 0.000 1.440 172 F HN 0.584 nan 8.300 nan 0.000 0.799 173 Q N 1.531 121.317 119.800 -0.024 0.000 2.333 173 Q HA -0.020 4.576 4.340 0.426 0.000 0.299 173 Q C 0.413 176.375 176.000 -0.064 0.000 1.067 173 Q CA 0.154 55.923 55.803 -0.056 0.000 0.943 173 Q CB 0.608 29.272 28.738 -0.123 0.000 1.233 173 Q HN 0.454 nan 8.270 nan 0.000 0.401 174 N N 4.763 123.444 118.700 -0.032 0.000 2.414 174 N HA 0.207 5.202 4.740 0.426 0.000 0.256 174 N C -2.172 173.176 175.510 -0.269 0.000 1.029 174 N CA -1.984 50.981 53.050 -0.141 0.000 0.948 174 N CB 1.193 39.717 38.487 0.060 0.000 1.102 174 N HN 0.363 nan 8.380 nan 0.000 0.496 175 P HA 0.115 nan 4.420 nan 0.000 0.275 175 P C 0.671 177.598 177.300 -0.622 0.000 1.310 175 P CA 0.278 62.841 63.100 -0.895 0.000 0.904 175 P CB 0.246 31.000 31.700 -1.577 0.000 1.381 176 T N -4.418 109.759 114.554 -0.629 0.000 3.055 176 T HA 0.173 4.778 4.350 0.426 0.000 0.265 176 T C 1.717 176.393 174.700 -0.039 0.000 1.111 176 T CA 1.170 63.015 62.100 -0.426 0.000 1.118 176 T CB -1.207 67.402 68.868 -0.431 0.000 0.909 176 T HN 0.180 nan 8.240 nan 0.000 0.501 177 G N 0.946 109.746 108.800 -0.001 0.000 2.184 177 G HA2 -0.124 4.091 3.960 0.426 0.000 0.264 177 G HA3 -0.124 4.091 3.960 0.426 0.000 0.264 177 G C 0.495 175.460 174.900 0.109 0.000 0.975 177 G CA 0.048 45.211 45.100 0.106 0.000 0.642 177 G HN 1.081 nan 8.290 nan 0.000 0.536 178 G N -0.570 108.240 108.800 0.017 0.000 2.491 178 G HA2 0.522 4.738 3.960 0.426 0.000 0.238 178 G HA3 0.522 4.738 3.960 0.426 0.000 0.238 178 G C -0.250 174.635 174.900 -0.025 0.000 1.277 178 G CA 0.266 45.370 45.100 0.007 0.000 0.851 178 G HN 1.139 nan 8.290 nan 0.000 0.573 179 L N 1.443 122.651 121.223 -0.025 0.000 2.319 179 L HA 0.438 5.034 4.340 0.426 0.000 0.281 179 L C 0.459 177.270 176.870 -0.098 0.000 1.005 179 L CA -0.338 54.426 54.840 -0.125 0.000 0.828 179 L CB 1.740 43.757 42.059 -0.070 0.000 1.227 179 L HN 0.435 nan 8.230 nan 0.000 0.415 180 T N 7.372 121.849 114.554 -0.129 0.000 2.769 180 T HA 0.267 4.872 4.350 0.426 0.000 0.293 180 T C -2.367 172.284 174.700 -0.083 0.000 0.931 180 T CA -0.558 61.487 62.100 -0.091 0.000 1.139 180 T CB 0.297 69.109 68.868 -0.093 0.000 0.881 180 T HN 0.432 nan 8.240 nan 0.000 0.532 181 P HA 0.143 nan 4.420 nan 0.000 0.272 181 P C 1.019 178.291 177.300 -0.046 0.000 1.240 181 P CA -0.702 62.371 63.100 -0.044 0.000 0.791 181 P CB 0.549 32.234 31.700 -0.025 0.000 0.978 182 L N 3.879 125.077 121.223 -0.042 0.000 2.042 182 L HA -0.095 4.501 4.340 0.426 0.000 0.210 182 L C -0.971 175.877 176.870 -0.036 0.000 1.076 182 L CA 2.690 57.505 54.840 -0.042 0.000 0.749 182 L CB -2.294 39.742 42.059 -0.039 0.000 0.893 182 L HN 0.380 nan 8.230 nan 0.000 0.432 183 P HA -0.148 nan 4.420 nan 0.000 0.216 183 P C 1.531 178.812 177.300 -0.031 0.000 1.150 183 P CA 1.978 65.062 63.100 -0.028 0.000 0.837 183 P CB -0.193 31.494 31.700 -0.022 0.000 0.786 184 A N -0.157 122.644 122.820 -0.032 0.000 1.930 184 A HA -0.188 4.387 4.320 0.426 0.000 0.217 184 A C 2.228 179.789 177.584 -0.038 0.000 1.175 184 A CA 1.299 53.316 52.037 -0.033 0.000 0.627 184 A CB -0.981 17.999 19.000 -0.033 0.000 0.815 184 A HN 0.064 nan 8.150 nan 0.000 0.443 185 R N -0.142 120.333 120.500 -0.042 0.000 2.096 185 R HA -0.114 4.482 4.340 0.426 0.000 0.235 185 R C 2.109 178.384 176.300 -0.042 0.000 1.127 185 R CA 1.672 57.747 56.100 -0.042 0.000 0.968 185 R CB -0.253 30.020 30.300 -0.045 0.000 0.861 185 R HN 0.499 nan 8.270 nan 0.000 0.440 186 K N 0.087 120.461 120.400 -0.042 0.000 2.103 186 K HA -0.107 4.469 4.320 0.426 0.000 0.204 186 K C 2.191 178.762 176.600 -0.049 0.000 1.052 186 K CA 0.826 57.086 56.287 -0.045 0.000 0.945 186 K CB -0.085 32.390 32.500 -0.041 0.000 0.722 186 K HN 0.076 nan 8.250 nan 0.000 0.443 187 R N 1.121 121.595 120.500 -0.043 0.000 2.081 187 R HA -0.146 4.450 4.340 0.426 0.000 0.235 187 R C 2.318 178.589 176.300 -0.049 0.000 1.131 187 R CA 1.104 57.179 56.100 -0.043 0.000 0.960 187 R CB -0.235 30.045 30.300 -0.034 0.000 0.856 187 R HN 0.085 nan 8.270 nan 0.000 0.436 188 L N 0.937 122.133 121.223 -0.045 0.000 2.017 188 L HA -0.130 4.465 4.340 0.426 0.000 0.208 188 L C 2.083 178.917 176.870 -0.060 0.000 1.073 188 L CA 1.515 56.328 54.840 -0.044 0.000 0.745 188 L CB -0.720 41.318 42.059 -0.034 0.000 0.894 188 L HN 0.283 nan 8.230 nan 0.000 0.432 189 L N -0.507 120.677 121.223 -0.066 0.000 2.042 189 L HA -0.230 4.365 4.340 0.426 0.000 0.210 189 L C 2.504 179.283 176.870 -0.151 0.000 1.076 189 L CA 1.769 56.550 54.840 -0.099 0.000 0.749 189 L CB -0.844 41.166 42.059 -0.081 0.000 0.893 189 L HN 0.400 nan 8.230 nan 0.000 0.432 190 Q N -0.864 118.867 119.800 -0.115 0.000 2.084 190 Q HA -0.215 4.381 4.340 0.426 0.000 0.202 190 Q C 2.229 178.155 176.000 -0.123 0.000 0.978 190 Q CA 2.294 58.025 55.803 -0.120 0.000 0.844 190 Q CB -0.395 28.294 28.738 -0.082 0.000 0.898 190 Q HN 0.608 nan 8.270 nan 0.000 0.426 191 M N -0.337 119.206 119.600 -0.095 0.000 2.086 191 M HA -0.156 4.580 4.480 0.426 0.000 0.261 191 M C 2.353 178.594 176.300 -0.098 0.000 1.067 191 M CA 1.148 56.402 55.300 -0.078 0.000 1.116 191 M CB -0.466 32.103 32.600 -0.052 0.000 1.348 191 M HN -0.045 nan 8.290 nan 0.000 0.407 192 V N 0.566 120.408 119.914 -0.121 0.000 2.295 192 V HA -0.273 4.102 4.120 0.426 0.000 0.246 192 V C 2.415 178.338 176.094 -0.284 0.000 1.049 192 V CA 1.872 64.091 62.300 -0.135 0.000 1.024 192 V CB -0.504 31.266 31.823 -0.088 0.000 0.648 192 V HN 0.501 nan 8.190 nan 0.000 0.447 193 M N -0.817 118.494 119.600 -0.481 0.000 2.117 193 M HA -0.204 4.532 4.480 0.426 0.000 0.262 193 M C 2.179 178.313 176.300 -0.277 0.000 1.065 193 M CA 1.821 56.731 55.300 -0.649 0.000 1.114 193 M CB -0.568 31.678 32.600 -0.590 0.000 1.361 193 M HN 0.368 nan 8.290 nan 0.000 0.408 194 E N 0.194 120.290 120.200 -0.174 0.000 2.153 194 E HA -0.170 4.435 4.350 0.426 0.000 0.194 194 E C 1.660 178.225 176.600 -0.057 0.000 0.988 194 E CA 0.978 57.322 56.400 -0.093 0.000 0.811 194 E CB 0.032 29.689 29.700 -0.072 0.000 0.746 194 E HN 0.503 nan 8.360 nan 0.000 0.466 195 R N -0.677 119.790 120.500 -0.055 0.000 2.397 195 R HA 0.156 4.751 4.340 0.426 0.000 0.241 195 R C 0.656 176.966 176.300 0.017 0.000 0.914 195 R CA 0.393 56.483 56.100 -0.017 0.000 1.071 195 R CB 0.940 31.230 30.300 -0.017 0.000 1.116 195 R HN 0.100 nan 8.270 nan 0.000 0.524 196 G N 2.394 111.215 108.800 0.034 0.000 2.371 196 G HA2 -0.273 3.942 3.960 0.426 0.000 0.299 196 G HA3 -0.273 3.942 3.960 0.426 0.000 0.299 196 G C -0.077 174.924 174.900 0.168 0.000 1.014 196 G CA 0.167 45.361 45.100 0.157 0.000 1.097 196 G HN 0.159 nan 8.290 nan 0.000 0.512 197 L N -0.979 120.339 121.223 0.158 0.000 2.375 197 L HA 0.639 5.235 4.340 0.426 0.000 0.268 197 L C 0.825 177.795 176.870 0.166 0.000 1.058 197 L CA -1.283 53.627 54.840 0.115 0.000 0.803 197 L CB 1.604 43.698 42.059 0.058 0.000 1.212 197 L HN -0.012 nan 8.230 nan 0.000 0.451 198 V N 2.168 122.123 119.914 0.069 0.000 2.481 198 V HA 0.363 4.739 4.120 0.426 0.000 0.286 198 V C -0.031 176.082 176.094 0.032 0.000 1.042 198 V CA -0.547 61.752 62.300 -0.002 0.000 0.928 198 V CB 1.891 33.600 31.823 -0.190 0.000 0.986 198 V HN 0.384 nan 8.190 nan 0.000 0.462 199 V N 5.169 125.104 119.914 0.035 0.000 2.555 199 V HA 0.444 4.819 4.120 0.426 0.000 0.302 199 V C -0.256 175.822 176.094 -0.027 0.000 1.038 199 V CA -0.653 61.678 62.300 0.050 0.000 0.887 199 V CB 2.110 33.985 31.823 0.086 0.000 0.991 199 V HN 0.585 nan 8.190 nan 0.000 0.434 200 V N 4.123 124.011 119.914 -0.043 0.000 2.333 200 V HA 0.349 4.725 4.120 0.426 0.000 0.274 200 V C 0.137 176.216 176.094 -0.024 0.000 1.028 200 V CA -0.413 61.837 62.300 -0.084 0.000 0.851 200 V CB 1.237 32.932 31.823 -0.212 0.000 1.000 200 V HN 0.960 nan 8.190 nan 0.000 0.456 201 E N 3.942 124.117 120.200 -0.043 0.000 2.081 201 E HA 0.223 4.828 4.350 0.426 0.000 0.276 201 E C -0.960 175.506 176.600 -0.223 0.000 0.950 201 E CA -0.586 55.757 56.400 -0.095 0.000 0.776 201 E CB 0.910 30.644 29.700 0.056 0.000 1.094 201 E HN 0.661 nan 8.360 nan 0.000 0.402 202 D N 4.214 124.460 120.400 -0.257 0.000 2.396 202 D HA 0.098 4.993 4.640 0.426 0.000 0.225 202 D C -0.849 175.280 176.300 -0.285 0.000 1.121 202 D CA -0.376 53.475 54.000 -0.248 0.000 0.853 202 D CB 1.169 41.920 40.800 -0.082 0.000 1.043 202 D HN 0.355 nan 8.370 nan 0.000 0.500 203 D N 2.690 122.830 120.400 -0.433 0.000 2.895 203 D HA 0.273 5.168 4.640 0.426 0.000 0.258 203 D C 1.325 177.450 176.300 -0.292 0.000 1.311 203 D CA -0.257 53.560 54.000 -0.305 0.000 0.843 203 D CB 0.358 40.972 40.800 -0.310 0.000 1.055 203 D HN 0.441 nan 8.370 nan 0.000 0.486 204 A N -0.324 122.272 122.820 -0.375 0.000 1.978 204 A HA -0.211 4.365 4.320 0.426 0.000 0.220 204 A C 1.060 178.299 177.584 -0.575 0.000 1.170 204 A CA 1.232 52.927 52.037 -0.570 0.000 0.636 204 A CB -0.521 17.982 19.000 -0.828 0.000 0.810 204 A HN 0.411 nan 8.150 nan 0.000 0.448 205 Y N -0.998 119.311 120.300 0.015 0.000 2.524 205 Y HA 0.219 5.023 4.550 0.424 0.000 0.266 205 Y C 1.844 177.897 175.900 0.255 0.000 1.180 205 Y CA -0.102 58.069 58.100 0.119 0.000 1.244 205 Y CB -0.313 38.250 38.460 0.172 0.000 1.125 205 Y HN 0.368 nan 8.280 nan 0.000 0.524 206 R N 1.175 121.825 120.500 0.251 0.000 2.133 206 R HA -0.215 4.380 4.340 0.426 0.000 0.245 206 R C 1.005 177.583 176.300 0.464 0.000 1.137 206 R CA 2.226 58.503 56.100 0.295 0.000 0.947 206 R CB 0.024 30.456 30.300 0.221 0.000 0.865 206 R HN 0.224 nan 8.270 nan 0.000 0.437 207 E N 0.190 120.640 120.200 0.416 0.000 2.479 207 E HA -0.010 4.596 4.350 0.426 0.000 0.193 207 E C 0.380 177.077 176.600 0.162 0.000 1.049 207 E CA 0.143 56.773 56.400 0.383 0.000 0.870 207 E CB 0.416 30.319 29.700 0.338 0.000 0.944 207 E HN 0.256 nan 8.360 nan 0.000 0.492 208 L N 1.791 123.141 121.223 0.213 0.000 2.928 208 L HA 0.092 4.688 4.340 0.426 0.000 0.236 208 L C -0.087 176.604 176.870 -0.299 0.000 1.290 208 L CA -0.318 54.529 54.840 0.012 0.000 1.099 208 L CB -1.184 40.886 42.059 0.020 0.000 1.437 208 L HN 0.032 nan 8.230 nan 0.000 0.493 209 Y N -3.887 116.384 120.300 -0.048 0.000 2.336 209 Y HA 0.331 5.136 4.550 0.424 0.000 0.331 209 Y C 0.732 176.606 175.900 -0.044 0.000 1.211 209 Y CA -0.702 57.284 58.100 -0.189 0.000 1.346 209 Y CB 0.205 38.827 38.460 0.271 0.000 1.271 209 Y HN -0.013 nan 8.280 nan 0.000 0.538 210 F N 1.452 121.418 119.950 0.027 0.000 2.656 210 F HA 0.304 5.080 4.527 0.416 0.000 0.291 210 F C 1.647 177.513 175.800 0.111 0.000 1.122 210 F CA -0.339 57.664 58.000 0.005 0.000 1.427 210 F CB -0.751 38.222 39.000 -0.045 0.000 1.125 210 F HN 0.795 nan 8.300 nan 0.000 0.583 211 G N 0.536 109.567 108.800 0.386 0.000 2.489 211 G HA2 0.123 4.339 3.960 0.426 0.000 0.271 211 G HA3 0.123 4.339 3.960 0.426 0.000 0.271 211 G C 1.018 176.116 174.900 0.330 0.000 1.427 211 G CA 0.149 45.427 45.100 0.296 0.000 1.057 211 G HN 0.350 nan 8.290 nan 0.000 0.532 212 E N -1.034 119.296 120.200 0.218 0.000 2.216 212 E HA 0.329 4.934 4.350 0.426 0.000 0.192 212 E C 0.890 177.615 176.600 0.209 0.000 0.988 212 E CA 0.829 57.346 56.400 0.195 0.000 0.834 212 E CB 0.104 29.871 29.700 0.112 0.000 0.772 212 E HN 0.510 nan 8.360 nan 0.000 0.479 213 A N 1.237 124.092 122.820 0.059 0.000 2.609 213 A HA 0.528 5.103 4.320 0.426 0.000 0.291 213 A C -1.089 176.102 177.584 -0.655 0.000 1.096 213 A CA -1.110 50.766 52.037 -0.268 0.000 0.684 213 A CB 1.119 20.047 19.000 -0.120 0.000 1.282 213 A HN 0.243 nan 8.150 nan 0.000 0.412 214 R N 0.658 120.587 120.500 -0.951 0.000 2.500 214 R HA 0.716 5.311 4.340 0.426 0.000 0.275 214 R C -0.935 175.214 176.300 -0.251 0.000 1.051 214 R CA -0.586 55.153 56.100 -0.602 0.000 1.088 214 R CB 0.408 30.417 30.300 -0.485 0.000 1.063 214 R HN 0.526 nan 8.270 nan 0.000 0.511 215 L N 2.161 123.284 121.223 -0.168 0.000 2.436 215 L HA 0.329 4.924 4.340 0.426 0.000 0.265 215 L C -1.831 174.985 176.870 -0.090 0.000 1.168 215 L CA -2.325 52.446 54.840 -0.114 0.000 0.815 215 L CB 0.696 42.689 42.059 -0.110 0.000 1.109 215 L HN 0.483 nan 8.230 nan 0.000 0.462 216 P HA 0.021 nan 4.420 nan 0.000 0.266 216 P C -0.592 176.684 177.300 -0.039 0.000 1.195 216 P CA -0.264 62.805 63.100 -0.053 0.000 0.768 216 P CB 0.571 32.241 31.700 -0.050 0.000 0.838 217 S N 2.308 117.998 115.700 -0.016 0.000 2.603 217 S HA 0.184 4.909 4.470 0.426 0.000 0.268 217 S C 1.387 176.010 174.600 0.039 0.000 1.317 217 S CA -0.637 57.585 58.200 0.037 0.000 1.012 217 S CB 0.162 63.420 63.200 0.097 0.000 0.926 217 S HN 0.304 nan 8.310 nan 0.000 0.539 218 L N 0.202 121.468 121.223 0.072 0.000 2.079 218 L HA -0.081 4.514 4.340 0.426 0.000 0.210 218 L C 2.334 179.261 176.870 0.096 0.000 1.081 218 L CA 1.693 56.574 54.840 0.067 0.000 0.752 218 L CB -0.684 41.421 42.059 0.076 0.000 0.896 218 L HN 0.767 nan 8.230 nan 0.000 0.433 219 F N 1.109 121.064 119.950 0.008 0.000 2.095 219 F HA -0.257 4.526 4.527 0.427 0.000 0.298 219 F C 2.442 178.183 175.800 -0.097 0.000 1.104 219 F CA 1.915 59.888 58.000 -0.045 0.000 1.232 219 F CB -0.152 38.759 39.000 -0.149 0.000 0.987 219 F HN 0.051 nan 8.300 nan 0.000 0.475 220 E N 0.291 120.434 120.200 -0.095 0.000 2.051 220 E HA -0.222 4.384 4.350 0.426 0.000 0.192 220 E C 2.323 178.823 176.600 -0.167 0.000 0.991 220 E CA 1.672 57.972 56.400 -0.166 0.000 0.799 220 E CB -0.370 29.281 29.700 -0.080 0.000 0.748 220 E HN 0.448 nan 8.360 nan 0.000 0.449 221 L N 0.521 121.683 121.223 -0.102 0.000 2.017 221 L HA -0.217 4.379 4.340 0.426 0.000 0.208 221 L C 2.603 179.418 176.870 -0.092 0.000 1.073 221 L CA 1.069 55.861 54.840 -0.081 0.000 0.745 221 L CB -0.534 41.493 42.059 -0.052 0.000 0.894 221 L HN 0.164 nan 8.230 nan 0.000 0.432 222 A N 0.027 122.789 122.820 -0.097 0.000 1.883 222 A HA -0.267 4.308 4.320 0.426 0.000 0.217 222 A C 2.483 179.988 177.584 -0.132 0.000 1.186 222 A CA 1.935 53.939 52.037 -0.054 0.000 0.624 222 A CB -0.667 18.332 19.000 -0.002 0.000 0.822 222 A HN 0.355 nan 8.150 nan 0.000 0.444 223 R N -0.054 120.254 120.500 -0.320 0.000 2.096 223 R HA -0.182 4.413 4.340 0.426 0.000 0.235 223 R C 2.143 178.341 176.300 -0.171 0.000 1.127 223 R CA 1.915 57.817 56.100 -0.331 0.000 0.968 223 R CB -0.375 29.612 30.300 -0.522 0.000 0.861 223 R HN 0.753 nan 8.270 nan 0.000 0.440 224 E N -0.228 119.888 120.200 -0.141 0.000 2.106 224 E HA -0.145 4.461 4.350 0.426 0.000 0.192 224 E C 1.470 178.034 176.600 -0.059 0.000 0.984 224 E CA 1.175 57.522 56.400 -0.087 0.000 0.806 224 E CB -0.058 29.596 29.700 -0.077 0.000 0.750 224 E HN 0.462 nan 8.360 nan 0.000 0.458 225 A N -0.017 122.773 122.820 -0.050 0.000 2.169 225 A HA 0.218 4.793 4.320 0.426 0.000 0.212 225 A C 1.695 179.282 177.584 0.006 0.000 1.153 225 A CA 0.955 52.979 52.037 -0.022 0.000 0.756 225 A CB -0.298 18.689 19.000 -0.022 0.000 0.813 225 A HN 0.478 nan 8.150 nan 0.000 0.471 226 G N -2.287 106.510 108.800 -0.005 0.000 2.147 226 G HA2 -0.304 3.912 3.960 0.426 0.000 0.244 226 G HA3 -0.304 3.912 3.960 0.426 0.000 0.244 226 G C -0.073 174.865 174.900 0.063 0.000 1.005 226 G CA 0.339 45.444 45.100 0.008 0.000 0.713 226 G HN 0.765 nan 8.290 nan 0.000 0.515 227 Y N 1.736 121.993 120.300 -0.073 0.000 2.327 227 Y HA 0.556 5.361 4.550 0.425 0.000 0.336 227 Y C -1.120 174.749 175.900 -0.051 0.000 1.035 227 Y CA -1.960 56.107 58.100 -0.055 0.000 1.165 227 Y CB 1.754 40.180 38.460 -0.058 0.000 1.181 227 Y HN 0.030 nan 8.280 nan 0.000 0.494 228 P HA 0.168 nan 4.420 nan 0.000 0.261 228 P C 0.742 177.789 177.300 -0.422 0.000 1.268 228 P CA 0.546 63.442 63.100 -0.340 0.000 0.833 228 P CB 0.437 32.011 31.700 -0.210 0.000 1.231 229 G N -0.006 108.284 108.800 -0.850 0.000 3.233 229 G HA2 0.185 4.401 3.960 0.426 0.000 0.227 229 G HA3 0.185 4.401 3.960 0.426 0.000 0.227 229 G C 0.126 174.995 174.900 -0.052 0.000 1.175 229 G CA 0.047 44.873 45.100 -0.457 0.000 0.781 229 G HN 0.139 nan 8.290 nan 0.000 0.542 230 V N 1.727 121.678 119.914 0.062 0.000 2.370 230 V HA 0.382 4.758 4.120 0.426 0.000 0.279 230 V C -0.130 176.130 176.094 0.277 0.000 1.029 230 V CA -0.756 61.666 62.300 0.203 0.000 0.870 230 V CB 1.573 33.578 31.823 0.304 0.000 0.984 230 V HN 0.122 nan 8.190 nan 0.000 0.451 231 I N 5.554 126.203 120.570 0.131 0.000 2.304 231 I HA 0.302 4.727 4.170 0.426 0.000 0.291 231 I C -0.716 175.436 176.117 0.059 0.000 1.018 231 I CA -0.387 60.963 61.300 0.085 0.000 1.260 231 I CB 0.693 38.680 38.000 -0.021 0.000 1.390 231 I HN 0.605 nan 8.210 nan 0.000 0.475 232 Y N 7.807 128.004 120.300 -0.172 0.000 2.331 232 Y HA 0.615 5.422 4.550 0.429 0.000 0.338 232 Y C -1.066 174.684 175.900 -0.250 0.000 0.992 232 Y CA -0.672 57.257 58.100 -0.285 0.000 1.121 232 Y CB 0.872 38.885 38.460 -0.746 0.000 1.184 232 Y HN 0.343 nan 8.280 nan 0.000 0.469 233 L N 6.544 127.289 121.223 -0.796 0.000 2.329 233 L HA 0.833 5.428 4.340 0.426 0.000 0.279 233 L C 0.267 176.479 176.870 -1.097 0.000 1.014 233 L CA -0.836 53.571 54.840 -0.721 0.000 0.814 233 L CB 1.727 43.541 42.059 -0.409 0.000 1.257 233 L HN 0.843 nan 8.230 nan 0.000 0.424 234 G N 0.555 108.547 108.800 -1.347 0.000 2.733 234 G HA2 0.650 4.865 3.960 0.426 0.000 0.288 234 G HA3 0.650 4.865 3.960 0.426 0.000 0.288 234 G C -1.732 172.350 174.900 -1.364 0.000 1.373 234 G CA -0.415 43.812 45.100 -1.455 0.000 0.895 234 G HN 0.459 nan 8.290 nan 0.000 0.479 235 S N -1.528 113.707 115.700 -0.775 0.000 2.537 235 S HA 0.539 5.264 4.470 0.426 0.000 0.270 235 S C -0.667 173.806 174.600 -0.211 0.000 1.142 235 S CA -0.573 57.377 58.200 -0.418 0.000 0.870 235 S CB 1.022 64.061 63.200 -0.268 0.000 1.112 235 S HN 0.391 nan 8.310 nan 0.000 0.466 236 F N 1.938 122.024 119.950 0.228 0.000 2.797 236 F HA 0.210 4.992 4.527 0.425 0.000 0.302 236 F C 2.346 178.251 175.800 0.175 0.000 1.130 236 F CA 0.123 58.280 58.000 0.260 0.000 1.387 236 F CB -0.087 39.048 39.000 0.226 0.000 1.107 236 F HN 0.487 nan 8.300 nan 0.000 0.577 237 S N 0.113 115.940 115.700 0.211 0.000 2.356 237 S HA -0.147 4.578 4.470 0.426 0.000 0.223 237 S C 2.048 176.755 174.600 0.179 0.000 1.032 237 S CA 1.223 59.520 58.200 0.162 0.000 1.005 237 S CB -0.080 63.162 63.200 0.069 0.000 0.867 237 S HN 0.218 nan 8.310 nan 0.000 0.449 238 K N 1.227 121.697 120.400 0.117 0.000 2.400 238 K HA 0.141 4.716 4.320 0.426 0.000 0.194 238 K C 1.717 178.461 176.600 0.240 0.000 1.033 238 K CA 0.558 56.914 56.287 0.116 0.000 1.021 238 K CB -0.176 32.305 32.500 -0.030 0.000 0.808 238 K HN 0.528 nan 8.250 nan 0.000 0.505 239 V N -2.839 117.254 119.914 0.299 0.000 3.661 239 V HA 0.190 4.565 4.120 0.426 0.000 0.271 239 V C 1.311 177.623 176.094 0.364 0.000 1.315 239 V CA 0.003 62.517 62.300 0.356 0.000 1.072 239 V CB 0.041 32.122 31.823 0.431 0.000 0.830 239 V HN 0.074 nan 8.190 nan 0.000 0.443 240 L N -0.190 121.247 121.223 0.357 0.000 2.923 240 L HA 0.681 5.276 4.340 0.426 0.000 0.161 240 L C 0.257 177.319 176.870 0.319 0.000 1.202 240 L CA 1.243 56.264 54.840 0.302 0.000 0.920 240 L CB 0.885 43.082 42.059 0.229 0.000 1.773 240 L HN 0.306 nan 8.230 nan 0.000 0.532 241 S N 0.317 116.162 115.700 0.240 0.000 2.652 241 S HA 0.528 5.254 4.470 0.426 0.000 0.273 241 S C -2.507 172.162 174.600 0.116 0.000 1.172 241 S CA -0.706 57.560 58.200 0.111 0.000 1.009 241 S CB 1.428 64.564 63.200 -0.107 0.000 1.094 241 S HN 0.161 nan 8.310 nan 0.000 0.471 242 P HA 0.108 nan 4.420 nan 0.000 0.217 242 P C 1.578 178.906 177.300 0.046 0.000 1.151 242 P CA 1.243 64.412 63.100 0.115 0.000 0.828 242 P CB -0.277 31.517 31.700 0.157 0.000 0.788 243 G N 0.260 109.045 108.800 -0.025 0.000 2.470 243 G HA2 -0.167 4.048 3.960 0.426 0.000 0.220 243 G HA3 -0.167 4.048 3.960 0.426 0.000 0.220 243 G C 1.572 176.444 174.900 -0.046 0.000 1.121 243 G CA 0.223 45.291 45.100 -0.053 0.000 0.766 243 G HN 0.232 nan 8.290 nan 0.000 0.553 244 L N -0.862 120.337 121.223 -0.040 0.000 2.217 244 L HA 0.093 4.689 4.340 0.426 0.000 0.211 244 L C 0.828 177.707 176.870 0.014 0.000 1.107 244 L CA 0.001 54.825 54.840 -0.025 0.000 0.783 244 L CB -0.078 41.962 42.059 -0.032 0.000 0.919 244 L HN 0.126 nan 8.230 nan 0.000 0.442 245 R N -0.166 120.360 120.500 0.044 0.000 3.144 245 R HA -0.107 4.489 4.340 0.426 0.000 0.255 245 R C -1.257 175.101 176.300 0.096 0.000 0.949 245 R CA 0.174 56.310 56.100 0.060 0.000 0.649 245 R CB -2.715 27.605 30.300 0.033 0.000 1.229 245 R HN 0.092 nan 8.270 nan 0.000 0.440 246 V N -0.219 119.793 119.914 0.164 0.000 2.525 246 V HA 0.891 5.267 4.120 0.426 0.000 0.299 246 V C 0.332 176.675 176.094 0.415 0.000 1.034 246 V CA -0.068 62.390 62.300 0.264 0.000 0.863 246 V CB 1.971 33.931 31.823 0.228 0.000 0.999 246 V HN 0.665 nan 8.190 nan 0.000 0.423 247 A N 4.591 127.605 122.820 0.324 0.000 2.583 247 A HA 1.099 5.674 4.320 0.426 0.000 0.299 247 A C -1.501 176.240 177.584 0.262 0.000 1.258 247 A CA -0.557 51.581 52.037 0.169 0.000 0.682 247 A CB 2.030 20.987 19.000 -0.072 0.000 1.332 247 A HN 1.438 nan 8.150 nan 0.000 0.485 248 F N -3.166 116.793 119.950 0.015 0.000 2.678 248 F HA 0.843 5.628 4.527 0.430 0.000 0.308 248 F C -0.436 175.334 175.800 -0.050 0.000 1.118 248 F CA -0.758 57.257 58.000 0.025 0.000 0.959 248 F CB 1.324 40.366 39.000 0.070 0.000 1.305 248 F HN 1.029 nan 8.300 nan 0.000 0.443 249 A N 1.766 124.683 122.820 0.163 0.000 2.342 249 A HA 0.843 5.419 4.320 0.426 0.000 0.323 249 A C -1.642 176.031 177.584 0.149 0.000 1.125 249 A CA -0.932 51.148 52.037 0.072 0.000 0.785 249 A CB 1.611 20.632 19.000 0.036 0.000 1.221 249 A HN 0.851 nan 8.150 nan 0.000 0.463 250 V N 1.215 121.181 119.914 0.087 0.000 2.448 250 V HA 0.841 5.216 4.120 0.426 0.000 0.295 250 V C 0.271 176.376 176.094 0.018 0.000 1.025 250 V CA 0.233 62.543 62.300 0.017 0.000 0.859 250 V CB 1.108 32.842 31.823 -0.149 0.000 0.988 250 V HN 1.540 nan 8.190 nan 0.000 0.431 251 A N 2.599 125.482 122.820 0.106 0.000 2.610 251 A HA 0.603 5.178 4.320 0.426 0.000 0.291 251 A C -0.750 176.953 177.584 0.197 0.000 1.086 251 A CA -0.659 51.487 52.037 0.183 0.000 0.677 251 A CB 1.170 20.263 19.000 0.156 0.000 1.278 251 A HN 0.913 nan 8.150 nan 0.000 0.414 252 H N 1.029 120.168 119.070 0.114 0.000 3.038 252 H HA 0.035 4.846 4.556 0.425 0.000 0.338 252 H C -1.650 173.712 175.328 0.057 0.000 1.041 252 H CA -0.004 56.084 56.048 0.067 0.000 1.394 252 H CB 0.979 30.759 29.762 0.030 0.000 1.357 252 H HN 0.228 nan 8.280 nan 0.000 0.600 253 P HA -0.181 nan 4.420 nan 0.000 0.216 253 P C 1.135 178.478 177.300 0.072 0.000 1.154 253 P CA 1.801 64.841 63.100 -0.099 0.000 0.865 253 P CB 0.214 31.783 31.700 -0.218 0.000 0.789 254 E N -0.924 119.436 120.200 0.268 0.000 2.072 254 E HA -0.138 4.467 4.350 0.426 0.000 0.191 254 E C 2.100 178.794 176.600 0.156 0.000 0.985 254 E CA 1.153 57.681 56.400 0.214 0.000 0.801 254 E CB -0.483 29.355 29.700 0.229 0.000 0.750 254 E HN 0.151 nan 8.360 nan 0.000 0.452 255 A N 1.586 124.538 122.820 0.221 0.000 1.873 255 A HA -0.150 4.426 4.320 0.426 0.000 0.215 255 A C 2.152 179.810 177.584 0.122 0.000 1.186 255 A CA 0.794 52.935 52.037 0.173 0.000 0.616 255 A CB -0.587 18.561 19.000 0.245 0.000 0.823 255 A HN 0.217 nan 8.150 nan 0.000 0.442 256 L N -0.032 121.265 121.223 0.124 0.000 2.042 256 L HA -0.232 4.363 4.340 0.426 0.000 0.210 256 L C 2.546 179.451 176.870 0.059 0.000 1.076 256 L CA 2.619 57.511 54.840 0.087 0.000 0.749 256 L CB -1.076 41.028 42.059 0.074 0.000 0.893 256 L HN 0.689 nan 8.230 nan 0.000 0.432 257 Q N -0.667 119.163 119.800 0.050 0.000 2.084 257 Q HA -0.224 4.372 4.340 0.426 0.000 0.202 257 Q C 2.055 178.064 176.000 0.015 0.000 0.978 257 Q CA 1.454 57.274 55.803 0.029 0.000 0.844 257 Q CB 0.173 28.926 28.738 0.024 0.000 0.898 257 Q HN 0.280 nan 8.270 nan 0.000 0.426 258 K N 0.393 120.794 120.400 0.002 0.000 2.097 258 K HA -0.087 4.488 4.320 0.426 0.000 0.205 258 K C 2.113 178.701 176.600 -0.020 0.000 1.050 258 K CA 0.817 57.084 56.287 -0.033 0.000 0.938 258 K CB -0.335 32.107 32.500 -0.097 0.000 0.718 258 K HN 0.317 nan 8.250 nan 0.000 0.442 259 L N 0.525 121.753 121.223 0.008 0.000 2.046 259 L HA -0.183 4.412 4.340 0.426 0.000 0.208 259 L C 2.406 179.297 176.870 0.034 0.000 1.077 259 L CA 0.863 55.721 54.840 0.030 0.000 0.747 259 L CB -0.658 41.436 42.059 0.059 0.000 0.896 259 L HN -0.121 nan 8.230 nan 0.000 0.432 260 V N -0.298 119.638 119.914 0.037 0.000 2.287 260 V HA -0.344 4.032 4.120 0.426 0.000 0.248 260 V C 2.468 178.580 176.094 0.029 0.000 1.053 260 V CA 1.933 64.256 62.300 0.039 0.000 1.027 260 V CB -0.642 31.204 31.823 0.038 0.000 0.646 260 V HN 0.523 nan 8.190 nan 0.000 0.447 261 Q N -0.318 119.491 119.800 0.015 0.000 2.119 261 Q HA -0.106 4.490 4.340 0.426 0.000 0.201 261 Q C 2.426 178.430 176.000 0.008 0.000 0.972 261 Q CA 1.569 57.377 55.803 0.008 0.000 0.847 261 Q CB -0.411 28.325 28.738 -0.003 0.000 0.903 261 Q HN 0.674 nan 8.270 nan 0.000 0.433 262 A N 1.703 124.525 122.820 0.005 0.000 1.902 262 A HA -0.234 4.342 4.320 0.426 0.000 0.217 262 A C 2.024 179.620 177.584 0.021 0.000 1.181 262 A CA 1.685 53.726 52.037 0.008 0.000 0.623 262 A CB -0.421 18.581 19.000 0.003 0.000 0.818 262 A HN 0.231 nan 8.150 nan 0.000 0.443 263 K N -0.307 120.111 120.400 0.031 0.000 2.147 263 K HA -0.194 4.381 4.320 0.426 0.000 0.205 263 K C 2.142 178.767 176.600 0.042 0.000 1.049 263 K CA 1.531 57.843 56.287 0.042 0.000 0.936 263 K CB -0.207 32.327 32.500 0.057 0.000 0.722 263 K HN 0.650 nan 8.250 nan 0.000 0.446 264 Q N -0.578 119.245 119.800 0.037 0.000 2.061 264 Q HA -0.138 4.458 4.340 0.426 0.000 0.204 264 Q C 2.148 178.162 176.000 0.024 0.000 0.984 264 Q CA 1.588 57.411 55.803 0.035 0.000 0.846 264 Q CB -0.250 28.501 28.738 0.022 0.000 0.902 264 Q HN 0.535 nan 8.270 nan 0.000 0.421 265 G N 0.181 108.991 108.800 0.017 0.000 2.484 265 G HA2 -0.068 4.147 3.960 0.426 0.000 0.218 265 G HA3 -0.068 4.147 3.960 0.426 0.000 0.218 265 G C 1.386 176.294 174.900 0.015 0.000 1.130 265 G CA 0.698 45.805 45.100 0.012 0.000 0.784 265 G HN 0.388 nan 8.290 nan 0.000 0.543 266 A N 1.127 123.958 122.820 0.019 0.000 1.874 266 A HA 0.185 4.761 4.320 0.426 0.000 0.214 266 A C 1.711 179.303 177.584 0.013 0.000 1.189 266 A CA 2.065 54.112 52.037 0.017 0.000 0.615 266 A CB 0.077 19.091 19.000 0.023 0.000 0.830 266 A HN 0.445 nan 8.150 nan 0.000 0.443 267 D N -3.181 117.228 120.400 0.016 0.000 2.619 267 D HA 0.187 5.082 4.640 0.426 0.000 0.300 267 D C 0.689 176.988 176.300 -0.002 0.000 1.502 267 D CA 0.353 54.353 54.000 0.000 0.000 0.865 267 D CB -0.896 39.896 40.800 -0.013 0.000 1.343 267 D HN 0.303 nan 8.370 nan 0.000 0.447 268 L N -0.406 120.840 121.223 0.038 0.000 3.461 268 L HA -0.313 4.282 4.340 0.426 0.000 0.094 268 L C 0.347 177.321 176.870 0.174 0.000 4.424 268 L CA 2.249 57.146 54.840 0.095 0.000 0.523 268 L CB -1.967 40.172 42.059 0.135 0.000 3.542 268 L HN 0.685 nan 8.230 nan 0.000 0.792 269 H N -1.573 117.548 119.070 0.084 0.000 3.064 269 H HA 0.400 5.212 4.556 0.426 0.000 0.352 269 H C -0.927 174.446 175.328 0.075 0.000 1.260 269 H CA -0.183 55.914 56.048 0.082 0.000 1.160 269 H CB 1.236 31.055 29.762 0.095 0.000 1.879 269 H HN 0.038 nan 8.280 nan 0.000 0.544 270 T N 4.811 119.450 114.554 0.142 0.000 2.928 270 T HA 0.116 4.721 4.350 0.426 0.000 0.305 270 T C -2.190 172.580 174.700 0.115 0.000 1.035 270 T CA -0.542 61.610 62.100 0.086 0.000 1.145 270 T CB 0.332 69.279 68.868 0.131 0.000 0.963 270 T HN 0.408 nan 8.240 nan 0.000 0.545 271 P HA 0.021 nan 4.420 nan 0.000 0.265 271 P C 0.614 177.961 177.300 0.077 0.000 1.193 271 P CA -0.225 62.888 63.100 0.023 0.000 0.765 271 P CB 0.572 32.254 31.700 -0.029 0.000 0.823 272 M N 4.044 123.704 119.600 0.101 0.000 2.156 272 M HA -0.086 4.649 4.480 0.426 0.000 0.264 272 M C 1.796 178.025 176.300 -0.119 0.000 1.067 272 M CA 1.454 56.757 55.300 0.005 0.000 1.131 272 M CB -1.515 31.083 32.600 -0.004 0.000 1.368 272 M HN 0.271 nan 8.290 nan 0.000 0.416 273 L N 0.726 121.891 121.223 -0.096 0.000 2.013 273 L HA -0.272 4.323 4.340 0.426 0.000 0.212 273 L C 1.825 178.619 176.870 -0.127 0.000 1.073 273 L CA 2.091 56.857 54.840 -0.123 0.000 0.753 273 L CB -1.240 40.766 42.059 -0.088 0.000 0.890 273 L HN 0.479 nan 8.230 nan 0.000 0.432 274 N N -0.971 117.678 118.700 -0.085 0.000 2.120 274 N HA -0.219 4.776 4.740 0.426 0.000 0.188 274 N C 1.712 177.169 175.510 -0.087 0.000 1.024 274 N CA 1.706 54.713 53.050 -0.072 0.000 0.852 274 N CB -0.182 38.285 38.487 -0.033 0.000 1.003 274 N HN 0.627 nan 8.380 nan 0.000 0.424 275 Q N 0.682 120.439 119.800 -0.073 0.000 2.046 275 Q HA -0.021 4.575 4.340 0.426 0.000 0.200 275 Q C 2.133 178.063 176.000 -0.116 0.000 0.975 275 Q CA 1.175 56.950 55.803 -0.046 0.000 0.836 275 Q CB -0.111 28.658 28.738 0.051 0.000 0.896 275 Q HN 0.400 nan 8.270 nan 0.000 0.428 276 M N 0.125 119.528 119.600 -0.327 0.000 2.159 276 M HA -0.168 4.567 4.480 0.426 0.000 0.263 276 M C 2.149 178.354 176.300 -0.159 0.000 1.063 276 M CA 1.011 56.069 55.300 -0.404 0.000 1.110 276 M CB -0.238 32.014 32.600 -0.581 0.000 1.374 276 M HN 0.190 nan 8.290 nan 0.000 0.411 277 L N -0.017 121.106 121.223 -0.166 0.000 2.056 277 L HA -0.099 4.496 4.340 0.426 0.000 0.207 277 L C 2.195 178.952 176.870 -0.188 0.000 1.078 277 L CA 1.527 56.278 54.840 -0.148 0.000 0.749 277 L CB -0.512 41.469 42.059 -0.129 0.000 0.901 277 L HN 0.010 nan 8.230 nan 0.000 0.433 278 V N -0.226 119.550 119.914 -0.229 0.000 2.287 278 V HA -0.360 4.016 4.120 0.426 0.000 0.248 278 V C 2.613 178.421 176.094 -0.476 0.000 1.053 278 V CA 2.155 64.220 62.300 -0.391 0.000 1.027 278 V CB -0.997 30.495 31.823 -0.552 0.000 0.646 278 V HN 0.673 nan 8.190 nan 0.000 0.447 279 H N -0.040 118.772 119.070 -0.430 0.000 2.319 279 H HA -0.164 4.647 4.556 0.425 0.000 0.299 279 H C 2.400 177.508 175.328 -0.366 0.000 1.092 279 H CA 1.802 57.584 56.048 -0.443 0.000 1.302 279 H CB 0.233 29.927 29.762 -0.114 0.000 1.373 279 H HN 0.386 nan 8.280 nan 0.000 0.497 280 E N 0.767 120.801 120.200 -0.276 0.000 2.153 280 E HA -0.122 4.483 4.350 0.426 0.000 0.194 280 E C 2.623 179.055 176.600 -0.280 0.000 0.988 280 E CA 0.465 56.708 56.400 -0.261 0.000 0.811 280 E CB -0.156 29.467 29.700 -0.129 0.000 0.746 280 E HN 0.542 nan 8.360 nan 0.000 0.466 281 L N -0.248 120.806 121.223 -0.283 0.000 2.217 281 L HA -0.120 4.476 4.340 0.426 0.000 0.211 281 L C 1.745 178.457 176.870 -0.263 0.000 1.107 281 L CA 0.405 55.111 54.840 -0.224 0.000 0.783 281 L CB 0.015 41.965 42.059 -0.182 0.000 0.919 281 L HN 0.100 nan 8.230 nan 0.000 0.442 282 L N -0.693 120.248 121.223 -0.469 0.000 2.638 282 L HA 0.030 4.625 4.340 0.426 0.000 0.232 282 L C 2.196 178.784 176.870 -0.469 0.000 1.099 282 L CA 0.814 55.325 54.840 -0.548 0.000 0.883 282 L CB -0.233 41.191 42.059 -1.059 0.000 1.136 282 L HN 0.209 nan 8.230 nan 0.000 0.492 283 K N -0.136 119.950 120.400 -0.524 0.000 2.209 283 K HA -0.068 4.508 4.320 0.426 0.000 0.204 283 K C -0.022 176.545 176.600 -0.055 0.000 1.048 283 K CA 0.957 57.045 56.287 -0.330 0.000 0.940 283 K CB 0.088 32.281 32.500 -0.512 0.000 0.729 283 K HN 0.243 nan 8.250 nan 0.000 0.451 284 E N -0.496 119.668 120.200 -0.060 0.000 2.248 284 E HA 0.355 4.961 4.350 0.426 0.000 0.267 284 E C -0.416 176.214 176.600 0.049 0.000 0.877 284 E CA -0.408 56.002 56.400 0.016 0.000 0.759 284 E CB 1.951 31.647 29.700 -0.007 0.000 1.182 284 E HN 0.321 nan 8.360 nan 0.000 0.418 285 G N 2.082 110.936 108.800 0.091 0.000 2.136 285 G HA2 -0.316 3.900 3.960 0.426 0.000 0.242 285 G HA3 -0.316 3.900 3.960 0.426 0.000 0.242 285 G C 0.393 175.394 174.900 0.168 0.000 0.989 285 G CA 0.245 45.402 45.100 0.095 0.000 0.682 285 G HN 0.560 nan 8.290 nan 0.000 0.522 286 F N 2.058 122.017 119.950 0.016 0.000 2.102 286 F HA -0.031 4.750 4.527 0.423 0.000 0.298 286 F C 2.501 178.300 175.800 -0.003 0.000 1.105 286 F CA 2.170 60.175 58.000 0.008 0.000 1.239 286 F CB -0.660 38.370 39.000 0.050 0.000 0.991 286 F HN 0.209 nan 8.300 nan 0.000 0.474 287 S N 0.176 115.858 115.700 -0.030 0.000 2.359 287 S HA -0.243 4.483 4.470 0.426 0.000 0.224 287 S C 1.777 176.330 174.600 -0.078 0.000 1.035 287 S CA 1.747 59.879 58.200 -0.114 0.000 1.018 287 S CB -0.382 62.807 63.200 -0.018 0.000 0.876 287 S HN 0.423 nan 8.310 nan 0.000 0.448 288 E N 0.855 121.047 120.200 -0.014 0.000 2.077 288 E HA -0.103 4.503 4.350 0.426 0.000 0.193 288 E C 2.150 178.743 176.600 -0.011 0.000 0.989 288 E CA 0.847 57.244 56.400 -0.005 0.000 0.800 288 E CB -0.157 29.552 29.700 0.015 0.000 0.746 288 E HN 0.391 nan 8.360 nan 0.000 0.452 289 R N 0.314 120.822 120.500 0.013 0.000 2.073 289 R HA -0.162 4.433 4.340 0.426 0.000 0.234 289 R C 1.828 178.115 176.300 -0.021 0.000 1.134 289 R CA 1.061 57.180 56.100 0.031 0.000 0.952 289 R CB -0.229 30.150 30.300 0.131 0.000 0.850 289 R HN 0.116 nan 8.270 nan 0.000 0.433 290 L N 1.768 122.914 121.223 -0.128 0.000 2.012 290 L HA -0.179 4.416 4.340 0.426 0.000 0.210 290 L C 2.175 178.986 176.870 -0.099 0.000 1.073 290 L CA 1.848 56.592 54.840 -0.160 0.000 0.748 290 L CB -1.061 40.803 42.059 -0.324 0.000 0.891 290 L HN 0.293 nan 8.230 nan 0.000 0.431 291 E N -0.945 119.204 120.200 -0.086 0.000 2.097 291 E HA -0.290 4.315 4.350 0.426 0.000 0.196 291 E C 2.290 178.857 176.600 -0.056 0.000 1.000 291 E CA 1.374 57.736 56.400 -0.064 0.000 0.804 291 E CB -0.231 29.448 29.700 -0.036 0.000 0.740 291 E HN 0.415 nan 8.360 nan 0.000 0.454 292 R N 1.070 121.541 120.500 -0.047 0.000 2.075 292 R HA -0.110 4.485 4.340 0.426 0.000 0.232 292 R C 2.295 178.550 176.300 -0.074 0.000 1.126 292 R CA 1.028 57.095 56.100 -0.055 0.000 0.963 292 R CB -0.157 30.118 30.300 -0.041 0.000 0.858 292 R HN 0.006 nan 8.270 nan 0.000 0.435 293 V N 1.521 121.410 119.914 -0.042 0.000 2.287 293 V HA -0.258 4.118 4.120 0.426 0.000 0.248 293 V C 2.537 178.648 176.094 0.028 0.000 1.053 293 V CA 2.113 64.404 62.300 -0.014 0.000 1.027 293 V CB -0.565 31.325 31.823 0.112 0.000 0.646 293 V HN 0.408 nan 8.190 nan 0.000 0.447 294 R N -0.567 119.950 120.500 0.028 0.000 2.096 294 R HA -0.182 4.413 4.340 0.426 0.000 0.240 294 R C 2.568 178.880 176.300 0.020 0.000 1.139 294 R CA 1.749 57.880 56.100 0.050 0.000 0.952 294 R CB -0.386 29.850 30.300 -0.106 0.000 0.854 294 R HN 0.445 nan 8.270 nan 0.000 0.436 295 R N 0.080 120.545 120.500 -0.059 0.000 2.081 295 R HA -0.115 4.481 4.340 0.426 0.000 0.235 295 R C 2.307 178.513 176.300 -0.157 0.000 1.131 295 R CA 1.444 57.483 56.100 -0.102 0.000 0.960 295 R CB -0.319 29.926 30.300 -0.092 0.000 0.856 295 R HN 0.089 nan 8.270 nan 0.000 0.436 296 V N -0.106 119.685 119.914 -0.205 0.000 2.295 296 V HA -0.265 4.110 4.120 0.426 0.000 0.246 296 V C 1.796 177.701 176.094 -0.314 0.000 1.049 296 V CA 1.744 63.857 62.300 -0.313 0.000 1.024 296 V CB -0.506 31.039 31.823 -0.463 0.000 0.648 296 V HN 0.345 nan 8.190 nan 0.000 0.447 297 Y N -0.283 120.012 120.300 -0.008 0.000 2.263 297 Y HA -0.136 4.677 4.550 0.438 0.000 0.292 297 Y C 2.733 178.459 175.900 -0.289 0.000 1.130 297 Y CA 1.475 59.617 58.100 0.070 0.000 1.179 297 Y CB -0.219 38.423 38.460 0.304 0.000 0.998 297 Y HN 0.060 nan 8.280 nan 0.000 0.532 298 R N 0.727 120.930 120.500 -0.494 0.000 2.083 298 R HA -0.221 4.375 4.340 0.426 0.000 0.237 298 R C 2.295 178.228 176.300 -0.613 0.000 1.137 298 R CA 1.809 57.243 56.100 -1.109 0.000 0.951 298 R CB -0.239 29.663 30.300 -0.663 0.000 0.851 298 R HN 0.217 nan 8.270 nan 0.000 0.434 299 E N 1.133 121.125 120.200 -0.347 0.000 2.058 299 E HA -0.214 4.391 4.350 0.426 0.000 0.194 299 E C 1.701 178.171 176.600 -0.218 0.000 0.997 299 E CA 1.695 57.950 56.400 -0.243 0.000 0.801 299 E CB 0.034 29.628 29.700 -0.177 0.000 0.746 299 E HN 0.339 nan 8.360 nan 0.000 0.450 300 K N 0.011 120.312 120.400 -0.166 0.000 2.057 300 K HA -0.052 4.523 4.320 0.426 0.000 0.206 300 K C 2.196 178.615 176.600 -0.301 0.000 1.050 300 K CA 1.165 57.408 56.287 -0.074 0.000 0.935 300 K CB -0.180 32.430 32.500 0.183 0.000 0.715 300 K HN 0.113 nan 8.250 nan 0.000 0.439 301 A N 1.421 123.860 122.820 -0.635 0.000 1.902 301 A HA -0.246 4.329 4.320 0.426 0.000 0.217 301 A C 2.065 179.353 177.584 -0.493 0.000 1.181 301 A CA 1.436 52.865 52.037 -1.012 0.000 0.623 301 A CB -0.468 17.994 19.000 -0.897 0.000 0.818 301 A HN 0.298 nan 8.150 nan 0.000 0.443 302 Q N -0.708 118.873 119.800 -0.366 0.000 2.050 302 Q HA -0.100 4.496 4.340 0.426 0.000 0.202 302 Q C 2.463 178.395 176.000 -0.114 0.000 0.980 302 Q CA 1.398 57.080 55.803 -0.203 0.000 0.840 302 Q CB -0.400 28.223 28.738 -0.193 0.000 0.898 302 Q HN 0.685 nan 8.270 nan 0.000 0.424 303 A N 0.718 123.463 122.820 -0.125 0.000 1.908 303 A HA -0.247 4.328 4.320 0.426 0.000 0.218 303 A C 2.054 179.636 177.584 -0.003 0.000 1.181 303 A CA 1.732 53.740 52.037 -0.048 0.000 0.627 303 A CB -0.524 18.451 19.000 -0.043 0.000 0.818 303 A HN 0.373 nan 8.150 nan 0.000 0.445 304 M N -0.301 119.259 119.600 -0.067 0.000 2.086 304 M HA -0.051 4.685 4.480 0.426 0.000 0.261 304 M C 1.896 178.150 176.300 -0.077 0.000 1.067 304 M CA 1.644 56.910 55.300 -0.056 0.000 1.116 304 M CB -0.539 32.010 32.600 -0.084 0.000 1.348 304 M HN 0.360 nan 8.290 nan 0.000 0.407 305 L N -1.360 119.821 121.223 -0.070 0.000 2.056 305 L HA -0.224 4.371 4.340 0.426 0.000 0.207 305 L C 2.565 179.448 176.870 0.022 0.000 1.078 305 L CA 1.680 56.517 54.840 -0.005 0.000 0.749 305 L CB -0.957 41.117 42.059 0.025 0.000 0.901 305 L HN 0.460 nan 8.230 nan 0.000 0.433 306 H N -0.008 119.034 119.070 -0.047 0.000 2.319 306 H HA -0.212 4.598 4.556 0.423 0.000 0.297 306 H C 2.115 177.424 175.328 -0.032 0.000 1.097 306 H CA 1.993 58.022 56.048 -0.031 0.000 1.285 306 H CB 0.097 29.835 29.762 -0.039 0.000 1.368 306 H HN 0.312 nan 8.280 nan 0.000 0.495 307 A N 0.252 123.082 122.820 0.016 0.000 1.897 307 A HA -0.035 4.541 4.320 0.426 0.000 0.215 307 A C 2.542 180.050 177.584 -0.127 0.000 1.181 307 A CA 1.255 53.268 52.037 -0.041 0.000 0.620 307 A CB -0.721 18.290 19.000 0.017 0.000 0.821 307 A HN 0.463 nan 8.150 nan 0.000 0.443 308 L N -0.391 120.722 121.223 -0.184 0.000 2.046 308 L HA -0.198 4.397 4.340 0.426 0.000 0.208 308 L C 2.022 178.820 176.870 -0.121 0.000 1.077 308 L CA 1.449 56.100 54.840 -0.314 0.000 0.747 308 L CB -0.635 40.999 42.059 -0.708 0.000 0.896 308 L HN 0.271 nan 8.230 nan 0.000 0.432 309 D N -0.389 120.001 120.400 -0.017 0.000 2.178 309 D HA -0.200 4.695 4.640 0.426 0.000 0.201 309 D C 2.246 178.520 176.300 -0.044 0.000 0.980 309 D CA 1.099 55.125 54.000 0.044 0.000 0.842 309 D CB -0.071 40.729 40.800 -0.000 0.000 0.948 309 D HN 0.281 nan 8.370 nan 0.000 0.472 310 R N 0.368 120.793 120.500 -0.125 0.000 2.140 310 R HA 0.005 4.601 4.340 0.426 0.000 0.213 310 R C 1.186 177.442 176.300 -0.073 0.000 1.059 310 R CA 0.750 56.776 56.100 -0.123 0.000 1.000 310 R CB 0.359 30.536 30.300 -0.206 0.000 0.910 310 R HN -0.053 nan 8.270 nan 0.000 0.455 311 E N 0.235 120.390 120.200 -0.075 0.000 2.431 311 E HA 0.111 4.717 4.350 0.426 0.000 0.200 311 E C -0.170 176.397 176.600 -0.054 0.000 0.995 311 E CA 0.135 56.499 56.400 -0.059 0.000 0.915 311 E CB 1.107 30.768 29.700 -0.065 0.000 0.930 311 E HN 0.049 nan 8.360 nan 0.000 0.496 312 V N 4.981 124.863 119.914 -0.052 0.000 2.394 312 V HA 0.204 4.580 4.120 0.426 0.000 0.282 312 V C -2.115 173.992 176.094 0.022 0.000 1.031 312 V CA -1.815 60.468 62.300 -0.030 0.000 0.881 312 V CB 1.501 33.287 31.823 -0.062 0.000 0.982 312 V HN 0.003 nan 8.190 nan 0.000 0.451 313 P HA 0.122 nan 4.420 nan 0.000 0.269 313 P C 0.176 177.493 177.300 0.028 0.000 1.217 313 P CA -0.292 62.815 63.100 0.012 0.000 0.783 313 P CB 0.818 32.518 31.700 0.000 0.000 0.898 314 K N 1.433 121.840 120.400 0.012 0.000 2.418 314 K HA -0.043 4.533 4.320 0.426 0.000 0.195 314 K C 1.381 177.974 176.600 -0.011 0.000 1.035 314 K CA 0.925 57.212 56.287 0.001 0.000 1.003 314 K CB -0.129 32.365 32.500 -0.010 0.000 0.793 314 K HN 0.467 nan 8.250 nan 0.000 0.494 315 E N 0.659 120.855 120.200 -0.006 0.000 2.274 315 E HA -0.076 4.529 4.350 0.426 0.000 0.194 315 E C 0.873 177.465 176.600 -0.013 0.000 0.996 315 E CA 0.173 56.566 56.400 -0.012 0.000 0.840 315 E CB -0.019 29.674 29.700 -0.011 0.000 0.772 315 E HN 0.036 nan 8.360 nan 0.000 0.491 316 V N 0.600 120.517 119.914 0.005 0.000 2.567 316 V HA 0.377 4.752 4.120 0.426 0.000 0.289 316 V C -0.499 175.611 176.094 0.025 0.000 1.049 316 V CA -0.779 61.531 62.300 0.017 0.000 0.969 316 V CB 1.342 33.175 31.823 0.017 0.000 0.995 316 V HN -0.005 nan 8.190 nan 0.000 0.471 317 R N 4.933 125.431 120.500 -0.003 0.000 2.664 317 R HA 0.732 5.327 4.340 0.426 0.000 0.286 317 R C -1.614 174.694 176.300 0.013 0.000 0.967 317 R CA -0.437 55.613 56.100 -0.084 0.000 0.933 317 R CB 2.017 32.274 30.300 -0.072 0.000 1.146 317 R HN 0.911 nan 8.270 nan 0.000 0.468 318 Y N -2.322 117.961 120.300 -0.028 0.000 2.519 318 Y HA 0.391 5.197 4.550 0.428 0.000 0.336 318 Y C -0.329 175.601 175.900 0.050 0.000 1.089 318 Y CA -1.440 56.655 58.100 -0.010 0.000 1.025 318 Y CB 0.748 39.182 38.460 -0.043 0.000 1.318 318 Y HN 0.621 nan 8.280 nan 0.000 0.452 319 T N 0.212 114.921 114.554 0.259 0.000 2.813 319 T HA 0.567 5.173 4.350 0.426 0.000 0.297 319 T C -0.325 174.519 174.700 0.239 0.000 1.036 319 T CA -0.886 61.339 62.100 0.208 0.000 1.044 319 T CB 0.718 69.734 68.868 0.246 0.000 0.993 319 T HN 0.794 nan 8.240 nan 0.000 0.535 320 R N 2.009 122.614 120.500 0.175 0.000 2.422 320 R HA 0.395 4.990 4.340 0.426 0.000 0.307 320 R C -2.673 173.736 176.300 0.180 0.000 1.004 320 R CA -1.872 54.335 56.100 0.177 0.000 0.882 320 R CB 1.507 31.880 30.300 0.121 0.000 1.164 320 R HN 0.575 nan 8.270 nan 0.000 0.489 321 P HA 0.188 nan 4.420 nan 0.000 0.278 321 P C -0.590 176.827 177.300 0.195 0.000 1.238 321 P CA -0.539 62.690 63.100 0.214 0.000 0.794 321 P CB 1.262 33.133 31.700 0.285 0.000 0.955 322 K N 0.579 121.047 120.400 0.114 0.000 2.397 322 K HA 0.473 5.048 4.320 0.426 0.000 0.202 322 K C 0.787 176.976 176.600 -0.686 0.000 1.022 322 K CA -0.072 56.249 56.287 0.057 0.000 1.141 322 K CB 0.455 33.089 32.500 0.222 0.000 0.857 322 K HN 0.756 nan 8.250 nan 0.000 0.514 323 G N -1.527 106.383 108.800 -1.485 0.000 2.342 323 G HA2 0.441 4.656 3.960 0.426 0.000 0.297 323 G HA3 0.441 4.656 3.960 0.426 0.000 0.297 323 G C -0.250 173.663 174.900 -1.646 0.000 1.313 323 G CA -0.301 43.062 45.100 -2.894 0.000 0.830 323 G HN 0.278 nan 8.290 nan 0.000 0.506 324 G N -0.877 107.201 108.800 -1.204 0.000 2.562 324 G HA2 0.034 4.249 3.960 0.426 0.000 0.250 324 G HA3 0.034 4.249 3.960 0.426 0.000 0.250 324 G C 0.683 175.255 174.900 -0.547 0.000 1.269 324 G CA 1.109 45.839 45.100 -0.617 0.000 0.919 324 G HN 1.506 nan 8.290 nan 0.000 0.574 325 M N -0.701 118.287 119.600 -1.021 0.000 2.327 325 M HA 0.444 5.179 4.480 0.426 0.000 0.365 325 M C -0.645 174.603 176.300 -1.753 0.000 0.992 325 M CA 0.214 54.637 55.300 -1.461 0.000 0.985 325 M CB 0.931 32.723 32.600 -1.348 0.000 1.673 325 M HN 0.183 nan 8.290 nan 0.000 0.586 326 F N 0.236 119.874 119.950 -0.520 0.000 2.546 326 F HA 0.692 5.384 4.527 0.274 0.000 0.320 326 F C -0.164 175.718 175.800 0.136 0.000 1.076 326 F CA -1.520 56.357 58.000 -0.205 0.000 0.928 326 F CB 1.342 40.249 39.000 -0.154 0.000 1.189 326 F HN -0.383 nan 8.300 nan 0.000 0.465 327 V N 1.974 122.132 119.914 0.407 0.000 2.555 327 V HA 0.310 4.686 4.120 0.426 0.000 0.302 327 V C -1.134 175.153 176.094 0.323 0.000 1.038 327 V CA -0.999 61.510 62.300 0.349 0.000 0.887 327 V CB 2.258 34.237 31.823 0.259 0.000 0.991 327 V HN 0.833 nan 8.190 nan 0.000 0.434 328 W N 7.109 128.457 121.300 0.080 0.000 2.475 328 W HA 0.677 5.554 4.660 0.361 0.000 0.317 328 W C -1.059 175.492 176.519 0.054 0.000 1.046 328 W CA -0.834 56.517 57.345 0.009 0.000 1.215 328 W CB 1.795 31.238 29.460 -0.028 0.000 1.335 328 W HN 0.578 nan 8.180 nan 0.000 0.471 329 M N 5.247 124.586 119.600 -0.435 0.000 2.383 329 M HA 0.330 5.065 4.480 0.426 0.000 0.325 329 M C -1.334 174.650 176.300 -0.525 0.000 1.092 329 M CA -0.194 54.905 55.300 -0.334 0.000 0.961 329 M CB 2.125 34.562 32.600 -0.272 0.000 1.672 329 M HN 0.523 nan 8.290 nan 0.000 0.438 330 E N 4.532 124.566 120.200 -0.277 0.000 2.155 330 E HA 0.454 5.059 4.350 0.426 0.000 0.264 330 E C -1.553 174.970 176.600 -0.128 0.000 0.886 330 E CA -0.541 55.731 56.400 -0.214 0.000 0.752 330 E CB 1.413 31.052 29.700 -0.101 0.000 1.133 330 E HN 0.702 nan 8.360 nan 0.000 0.414 331 L N 5.697 126.843 121.223 -0.128 0.000 2.350 331 L HA 0.375 4.970 4.340 0.426 0.000 0.275 331 L C -1.911 174.927 176.870 -0.054 0.000 1.099 331 L CA -2.181 52.610 54.840 -0.082 0.000 0.808 331 L CB 0.472 42.485 42.059 -0.076 0.000 1.149 331 L HN 0.414 nan 8.230 nan 0.000 0.442 332 P HA -0.063 nan 4.420 nan 0.000 0.259 332 P C -0.448 176.837 177.300 -0.024 0.000 1.211 332 P CA -0.290 62.794 63.100 -0.027 0.000 0.810 332 P CB 0.226 31.914 31.700 -0.020 0.000 0.815 333 K N 3.090 123.475 120.400 -0.025 0.000 2.356 333 K HA -0.115 4.461 4.320 0.426 0.000 0.252 333 K C 1.427 178.017 176.600 -0.018 0.000 1.187 333 K CA 1.751 58.024 56.287 -0.024 0.000 1.227 333 K CB -1.109 31.379 32.500 -0.020 0.000 0.758 333 K HN 0.851 nan 8.250 nan 0.000 0.510 334 G N 2.489 111.278 108.800 -0.018 0.000 2.813 334 G HA2 -0.144 4.072 3.960 0.426 0.000 0.194 334 G HA3 -0.144 4.072 3.960 0.426 0.000 0.194 334 G C -0.112 174.784 174.900 -0.007 0.000 1.010 334 G CA -0.517 44.577 45.100 -0.011 0.000 0.771 334 G HN 0.430 nan 8.290 nan 0.000 0.485 335 L N 2.135 123.351 121.223 -0.011 0.000 2.325 335 L HA 0.700 5.295 4.340 0.426 0.000 0.279 335 L C 0.261 177.130 176.870 -0.001 0.000 1.054 335 L CA -0.504 54.334 54.840 -0.004 0.000 0.804 335 L CB 1.754 43.807 42.059 -0.009 0.000 1.200 335 L HN 0.235 nan 8.230 nan 0.000 0.436 336 S N 1.679 117.391 115.700 0.019 0.000 2.480 336 S HA 0.430 5.155 4.470 0.426 0.000 0.286 336 S C 0.848 175.491 174.600 0.072 0.000 1.180 336 S CA -0.100 58.120 58.200 0.033 0.000 1.075 336 S CB 1.778 65.001 63.200 0.038 0.000 0.996 336 S HN 0.718 nan 8.310 nan 0.000 0.487 337 A N 4.228 127.097 122.820 0.082 0.000 1.930 337 A HA -0.009 4.567 4.320 0.426 0.000 0.217 337 A C 1.868 179.621 177.584 0.282 0.000 1.175 337 A CA 1.463 53.610 52.037 0.183 0.000 0.627 337 A CB -0.693 18.403 19.000 0.160 0.000 0.815 337 A HN 0.942 nan 8.150 nan 0.000 0.443 338 E N -0.633 119.662 120.200 0.158 0.000 2.110 338 E HA -0.120 4.486 4.350 0.426 0.000 0.193 338 E C 2.114 178.830 176.600 0.194 0.000 0.988 338 E CA 0.786 57.264 56.400 0.130 0.000 0.804 338 E CB -0.315 29.410 29.700 0.040 0.000 0.745 338 E HN 0.621 nan 8.360 nan 0.000 0.458 339 G N 1.344 110.234 108.800 0.151 0.000 2.402 339 G HA2 -0.228 3.987 3.960 0.426 0.000 0.216 339 G HA3 -0.228 3.987 3.960 0.426 0.000 0.216 339 G C 1.512 176.512 174.900 0.166 0.000 1.162 339 G CA 0.125 45.304 45.100 0.131 0.000 0.777 339 G HN 0.150 nan 8.290 nan 0.000 0.539 340 L N -0.474 120.882 121.223 0.222 0.000 2.083 340 L HA -0.005 4.590 4.340 0.426 0.000 0.209 340 L C 2.555 179.658 176.870 0.390 0.000 1.083 340 L CA 1.413 56.422 54.840 0.281 0.000 0.752 340 L CB -0.336 41.899 42.059 0.292 0.000 0.899 340 L HN 0.305 nan 8.230 nan 0.000 0.433 341 F N 0.833 120.924 119.950 0.236 0.000 2.102 341 F HA -0.238 4.530 4.527 0.401 0.000 0.298 341 F C 2.684 178.432 175.800 -0.086 0.000 1.105 341 F CA 1.401 59.307 58.000 -0.157 0.000 1.239 341 F CB -0.182 38.632 39.000 -0.311 0.000 0.991 341 F HN -0.014 nan 8.300 nan 0.000 0.474 342 R N 0.549 121.116 120.500 0.112 0.000 2.083 342 R HA -0.143 4.452 4.340 0.426 0.000 0.237 342 R C 2.309 178.574 176.300 -0.059 0.000 1.137 342 R CA 1.733 57.844 56.100 0.018 0.000 0.951 342 R CB -0.980 29.373 30.300 0.088 0.000 0.851 342 R HN 0.364 nan 8.270 nan 0.000 0.434 343 R N 0.354 120.855 120.500 0.001 0.000 2.073 343 R HA -0.044 4.551 4.340 0.426 0.000 0.234 343 R C 2.381 178.667 176.300 -0.023 0.000 1.134 343 R CA 1.470 57.572 56.100 0.004 0.000 0.952 343 R CB -0.433 29.893 30.300 0.044 0.000 0.850 343 R HN 0.229 nan 8.270 nan 0.000 0.433 344 A N 1.133 123.943 122.820 -0.017 0.000 1.933 344 A HA -0.121 4.454 4.320 0.426 0.000 0.218 344 A C 2.135 179.645 177.584 -0.123 0.000 1.175 344 A CA 0.954 52.990 52.037 -0.002 0.000 0.628 344 A CB -0.515 18.587 19.000 0.169 0.000 0.814 344 A HN 0.260 nan 8.150 nan 0.000 0.444 345 L N -0.452 120.584 121.223 -0.312 0.000 2.131 345 L HA -0.178 4.417 4.340 0.426 0.000 0.210 345 L C 2.395 179.170 176.870 -0.158 0.000 1.092 345 L CA 1.546 56.190 54.840 -0.326 0.000 0.759 345 L CB -0.394 41.352 42.059 -0.520 0.000 0.903 345 L HN 0.533 nan 8.230 nan 0.000 0.435 346 E N -0.424 119.708 120.200 -0.112 0.000 2.204 346 E HA -0.196 4.409 4.350 0.426 0.000 0.195 346 E C 1.130 177.706 176.600 -0.039 0.000 0.990 346 E CA 0.655 57.020 56.400 -0.059 0.000 0.821 346 E CB 0.126 29.804 29.700 -0.037 0.000 0.750 346 E HN 0.401 nan 8.360 nan 0.000 0.477 347 E N 0.599 120.777 120.200 -0.035 0.000 2.403 347 E HA 0.025 4.631 4.350 0.426 0.000 0.188 347 E C -0.266 176.327 176.600 -0.011 0.000 1.056 347 E CA -0.139 56.254 56.400 -0.011 0.000 0.892 347 E CB 0.158 29.865 29.700 0.011 0.000 1.049 347 E HN 0.155 nan 8.360 nan 0.000 0.465 348 N N -0.275 118.403 118.700 -0.036 0.000 2.741 348 N HA -0.149 4.846 4.740 0.426 0.000 0.250 348 N C -0.809 174.682 175.510 -0.031 0.000 1.115 348 N CA 0.588 53.615 53.050 -0.039 0.000 0.724 348 N CB -1.562 36.910 38.487 -0.025 0.000 1.090 348 N HN -0.012 nan 8.380 nan 0.000 0.558 349 V N -0.097 119.805 119.914 -0.021 0.000 2.417 349 V HA 0.826 5.202 4.120 0.426 0.000 0.291 349 V C 0.397 176.485 176.094 -0.009 0.000 1.024 349 V CA -0.732 61.599 62.300 0.052 0.000 0.861 349 V CB 1.882 33.823 31.823 0.197 0.000 0.985 349 V HN 0.313 nan 8.190 nan 0.000 0.436 350 A N 5.459 128.310 122.820 0.051 0.000 2.342 350 A HA 1.013 5.589 4.320 0.426 0.000 0.323 350 A C -0.868 176.905 177.584 0.315 0.000 1.125 350 A CA -0.452 51.599 52.037 0.023 0.000 0.785 350 A CB 1.076 20.098 19.000 0.037 0.000 1.221 350 A HN 0.980 nan 8.150 nan 0.000 0.463 351 F N 0.092 120.252 119.950 0.351 0.000 2.726 351 F HA 0.778 5.526 4.527 0.367 0.000 0.324 351 F C -0.967 175.076 175.800 0.406 0.000 1.140 351 F CA -1.413 56.813 58.000 0.378 0.000 0.964 351 F CB 1.220 40.402 39.000 0.303 0.000 1.399 351 F HN 0.239 nan 8.300 nan 0.000 0.491 352 V N 1.882 122.177 119.914 0.634 0.000 2.333 352 V HA 0.383 4.759 4.120 0.426 0.000 0.274 352 V C -2.350 174.087 176.094 0.572 0.000 1.028 352 V CA -1.977 60.597 62.300 0.457 0.000 0.851 352 V CB 0.598 32.702 31.823 0.469 0.000 1.000 352 V HN 0.521 nan 8.190 nan 0.000 0.456 353 P HA 0.045 nan 4.420 nan 0.000 0.265 353 P C 1.087 178.629 177.300 0.403 0.000 1.187 353 P CA 0.468 63.769 63.100 0.335 0.000 0.766 353 P CB 0.743 32.477 31.700 0.056 0.000 0.820 354 G N 2.416 111.451 108.800 0.391 0.000 2.551 354 G HA2 -0.094 4.122 3.960 0.426 0.000 0.216 354 G HA3 -0.094 4.122 3.960 0.426 0.000 0.216 354 G C 1.710 177.085 174.900 0.791 0.000 1.137 354 G CA 0.660 46.178 45.100 0.697 0.000 0.798 354 G HN 0.613 nan 8.290 nan 0.000 0.536 355 G N 1.952 110.997 108.800 0.409 0.000 2.574 355 G HA2 -0.221 3.994 3.960 0.426 0.000 0.220 355 G HA3 -0.221 3.994 3.960 0.426 0.000 0.220 355 G C -0.018 175.070 174.900 0.313 0.000 1.173 355 G CA 1.268 46.546 45.100 0.297 0.000 0.772 355 G HN 0.431 nan 8.290 nan 0.000 0.585 356 P HA 0.038 nan 4.420 nan 0.000 0.231 356 P C 0.846 178.026 177.300 -0.199 0.000 1.158 356 P CA 0.487 63.526 63.100 -0.102 0.000 0.763 356 P CB -0.131 31.411 31.700 -0.263 0.000 0.805 357 F N -2.538 117.461 119.950 0.081 0.000 2.789 357 F HA 0.166 4.896 4.527 0.339 0.000 0.300 357 F C 0.769 176.407 175.800 -0.271 0.000 1.132 357 F CA 0.158 58.090 58.000 -0.112 0.000 1.404 357 F CB -0.473 38.425 39.000 -0.170 0.000 1.114 357 F HN -0.205 nan 8.300 nan 0.000 0.584 358 F N -0.321 119.685 119.950 0.092 0.000 2.361 358 F HA 0.446 5.226 4.527 0.422 0.000 0.364 358 F C 1.149 176.893 175.800 -0.093 0.000 1.120 358 F CA -0.805 57.211 58.000 0.027 0.000 1.102 358 F CB 1.055 40.099 39.000 0.072 0.000 1.183 358 F HN -0.098 nan 8.300 nan 0.000 0.476 359 A N 2.950 125.715 122.820 -0.091 0.000 2.019 359 A HA -0.182 4.393 4.320 0.426 0.000 0.219 359 A C 1.403 178.848 177.584 -0.231 0.000 1.164 359 A CA 1.520 53.327 52.037 -0.384 0.000 0.644 359 A CB -0.490 18.041 19.000 -0.781 0.000 0.805 359 A HN 0.854 nan 8.150 nan 0.000 0.449 360 N N -1.099 117.592 118.700 -0.016 0.000 2.238 360 N HA 0.414 5.409 4.740 0.426 0.000 0.222 360 N C 0.358 175.904 175.510 0.061 0.000 1.133 360 N CA 0.280 53.356 53.050 0.045 0.000 0.854 360 N CB 0.691 39.233 38.487 0.093 0.000 1.041 360 N HN 0.623 nan 8.380 nan 0.000 0.510 361 G N -0.264 108.584 108.800 0.081 0.000 2.712 361 G HA2 0.280 4.496 3.960 0.426 0.000 0.683 361 G HA3 0.280 4.496 3.960 0.426 0.000 0.683 361 G C 0.005 174.907 174.900 0.003 0.000 1.320 361 G CA -0.761 44.369 45.100 0.050 0.000 0.847 361 G HN 0.636 nan 8.290 nan 0.000 0.553 362 G N -1.629 107.099 108.800 -0.120 0.000 2.549 362 G HA2 0.547 4.762 3.960 0.426 0.000 0.404 362 G HA3 0.547 4.762 3.960 0.426 0.000 0.404 362 G C 1.554 176.072 174.900 -0.636 0.000 1.292 362 G CA 1.187 46.094 45.100 -0.322 0.000 0.935 362 G HN 3.154 nan 8.290 nan 0.000 0.512 363 G N -0.684 107.609 108.800 -0.845 0.000 2.198 363 G HA2 -0.065 4.150 3.960 0.426 0.000 0.260 363 G HA3 -0.065 4.150 3.960 0.426 0.000 0.260 363 G C 1.057 175.817 174.900 -0.234 0.000 1.025 363 G CA 1.421 46.037 45.100 -0.807 0.000 0.769 363 G HN 1.941 nan 8.290 nan 0.000 0.507 364 E N 0.907 121.004 120.200 -0.172 0.000 2.338 364 E HA -0.140 4.466 4.350 0.426 0.000 0.197 364 E C 1.580 178.151 176.600 -0.047 0.000 1.007 364 E CA 1.181 57.540 56.400 -0.067 0.000 0.849 364 E CB -0.432 29.234 29.700 -0.057 0.000 0.774 364 E HN 0.791 nan 8.360 nan 0.000 0.506 365 N N 1.484 120.136 118.700 -0.080 0.000 2.276 365 N HA -0.031 4.965 4.740 0.426 0.000 0.212 365 N C -0.142 175.286 175.510 -0.136 0.000 1.127 365 N CA 0.196 53.199 53.050 -0.078 0.000 0.834 365 N CB 0.250 38.694 38.487 -0.072 0.000 1.014 365 N HN 0.123 nan 8.380 nan 0.000 0.491 366 T N -0.645 113.813 114.554 -0.161 0.000 2.924 366 T HA 0.704 5.309 4.350 0.426 0.000 0.291 366 T C -0.339 174.127 174.700 -0.390 0.000 1.045 366 T CA -0.817 61.042 62.100 -0.402 0.000 1.015 366 T CB 2.154 70.767 68.868 -0.424 0.000 1.103 366 T HN 0.142 nan 8.240 nan 0.000 0.496 367 L N -1.246 119.550 121.223 -0.712 0.000 2.622 367 L HA 0.682 5.278 4.340 0.426 0.000 0.258 367 L C -1.204 175.452 176.870 -0.357 0.000 0.996 367 L CA -1.079 53.565 54.840 -0.326 0.000 0.858 367 L CB 1.699 43.653 42.059 -0.175 0.000 1.449 367 L HN 1.024 nan 8.230 nan 0.000 0.411 368 R N 1.371 121.933 120.500 0.104 0.000 2.514 368 R HA 0.848 5.443 4.340 0.426 0.000 0.301 368 R C -1.590 174.846 176.300 0.226 0.000 0.962 368 R CA -0.686 55.534 56.100 0.200 0.000 0.882 368 R CB 1.704 32.062 30.300 0.096 0.000 1.143 368 R HN 0.810 nan 8.270 nan 0.000 0.452 369 L N 2.318 123.661 121.223 0.199 0.000 2.341 369 L HA 0.381 4.976 4.340 0.426 0.000 0.278 369 L C -0.210 176.876 176.870 0.361 0.000 1.005 369 L CA -0.588 54.390 54.840 0.230 0.000 0.818 369 L CB 2.060 44.110 42.059 -0.015 0.000 1.259 369 L HN 0.553 nan 8.230 nan 0.000 0.418 370 S N 1.380 117.345 115.700 0.442 0.000 2.451 370 S HA 0.396 5.122 4.470 0.426 0.000 0.301 370 S C 0.012 174.788 174.600 0.293 0.000 1.116 370 S CA -0.560 57.808 58.200 0.279 0.000 1.093 370 S CB 0.635 64.040 63.200 0.342 0.000 1.017 370 S HN 0.496 nan 8.310 nan 0.000 0.482 371 Y N 2.984 123.431 120.300 0.246 0.000 2.524 371 Y HA 0.598 5.438 4.550 0.483 0.000 0.266 371 Y C 1.447 177.461 175.900 0.190 0.000 1.180 371 Y CA -0.139 58.112 58.100 0.251 0.000 1.244 371 Y CB -0.782 37.790 38.460 0.186 0.000 1.125 371 Y HN 0.613 nan 8.280 nan 0.000 0.524 372 A N 0.575 123.424 122.820 0.048 0.000 1.929 372 A HA -0.077 4.499 4.320 0.426 0.000 0.216 372 A C 2.037 179.752 177.584 0.218 0.000 1.176 372 A CA 2.087 54.227 52.037 0.171 0.000 0.628 372 A CB -0.890 18.068 19.000 -0.070 0.000 0.816 372 A HN 0.463 nan 8.150 nan 0.000 0.444 373 T N -0.377 114.251 114.554 0.124 0.000 2.953 373 T HA 0.259 4.865 4.350 0.426 0.000 0.247 373 T C 0.773 175.488 174.700 0.025 0.000 1.029 373 T CA 0.159 62.296 62.100 0.063 0.000 1.144 373 T CB -0.247 68.645 68.868 0.041 0.000 0.870 373 T HN 0.222 nan 8.240 nan 0.000 0.446 374 L N 2.918 124.149 121.223 0.015 0.000 2.436 374 L HA 0.285 4.881 4.340 0.426 0.000 0.265 374 L C 0.543 177.425 176.870 0.020 0.000 1.168 374 L CA -0.913 53.916 54.840 -0.019 0.000 0.815 374 L CB 0.452 42.461 42.059 -0.083 0.000 1.109 374 L HN 0.365 nan 8.230 nan 0.000 0.462 375 D N 0.886 121.284 120.400 -0.004 0.000 2.414 375 D HA 0.087 4.983 4.640 0.426 0.000 0.251 375 D C 0.961 177.270 176.300 0.016 0.000 1.252 375 D CA -0.352 53.646 54.000 -0.004 0.000 0.999 375 D CB 0.500 41.286 40.800 -0.024 0.000 1.093 375 D HN 0.319 nan 8.370 nan 0.000 0.515 376 R N -0.224 120.275 120.500 -0.001 0.000 2.113 376 R HA -0.191 4.404 4.340 0.426 0.000 0.244 376 R C 2.061 178.373 176.300 0.020 0.000 1.142 376 R CA 2.042 58.143 56.100 0.002 0.000 0.953 376 R CB -0.400 29.881 30.300 -0.032 0.000 0.860 376 R HN 0.621 nan 8.270 nan 0.000 0.438 377 E N -0.365 119.841 120.200 0.010 0.000 2.047 377 E HA -0.117 4.488 4.350 0.426 0.000 0.191 377 E C 2.222 178.843 176.600 0.035 0.000 0.987 377 E CA 1.079 57.489 56.400 0.017 0.000 0.799 377 E CB -0.242 29.460 29.700 0.004 0.000 0.752 377 E HN 0.523 nan 8.360 nan 0.000 0.449 378 G N 1.457 110.272 108.800 0.025 0.000 2.418 378 G HA2 -0.245 3.970 3.960 0.426 0.000 0.217 378 G HA3 -0.245 3.970 3.960 0.426 0.000 0.217 378 G C 1.619 176.569 174.900 0.083 0.000 1.158 378 G CA 0.696 45.806 45.100 0.017 0.000 0.771 378 G HN 0.098 nan 8.290 nan 0.000 0.545 379 I N 1.424 122.078 120.570 0.139 0.000 2.127 379 I HA -0.217 4.209 4.170 0.426 0.000 0.241 379 I C 3.349 179.619 176.117 0.255 0.000 1.075 379 I CA 1.127 62.611 61.300 0.307 0.000 1.334 379 I CB -0.365 37.785 38.000 0.250 0.000 1.040 379 I HN 0.248 nan 8.210 nan 0.000 0.405 380 A N 0.395 123.300 122.820 0.142 0.000 1.892 380 A HA -0.308 4.267 4.320 0.426 0.000 0.218 380 A C 2.220 179.868 177.584 0.108 0.000 1.188 380 A CA 2.410 54.511 52.037 0.108 0.000 0.631 380 A CB -0.646 18.400 19.000 0.078 0.000 0.822 380 A HN 0.463 nan 8.150 nan 0.000 0.447 381 E N -0.208 120.056 120.200 0.107 0.000 2.072 381 E HA 0.006 4.611 4.350 0.426 0.000 0.190 381 E C 2.027 178.709 176.600 0.137 0.000 0.982 381 E CA 1.514 57.969 56.400 0.092 0.000 0.803 381 E CB -0.865 28.871 29.700 0.060 0.000 0.755 381 E HN 0.382 nan 8.360 nan 0.000 0.453 382 G N 0.135 109.075 108.800 0.233 0.000 2.418 382 G HA2 -0.221 3.995 3.960 0.426 0.000 0.217 382 G HA3 -0.221 3.995 3.960 0.426 0.000 0.217 382 G C 1.710 176.819 174.900 0.348 0.000 1.158 382 G CA 1.095 46.438 45.100 0.405 0.000 0.771 382 G HN 0.260 nan 8.290 nan 0.000 0.545 383 V N 1.932 121.973 119.914 0.213 0.000 2.427 383 V HA -0.189 4.186 4.120 0.426 0.000 0.248 383 V C 2.947 179.031 176.094 -0.017 0.000 1.051 383 V CA 2.277 64.552 62.300 -0.040 0.000 1.048 383 V CB -0.489 31.263 31.823 -0.119 0.000 0.666 383 V HN 0.641 nan 8.190 nan 0.000 0.456 384 R N 0.870 121.389 120.500 0.031 0.000 2.092 384 R HA -0.104 4.491 4.340 0.426 0.000 0.231 384 R C 2.296 178.609 176.300 0.022 0.000 1.119 384 R CA 1.383 57.492 56.100 0.015 0.000 0.970 384 R CB -0.585 29.729 30.300 0.024 0.000 0.864 384 R HN 0.353 nan 8.270 nan 0.000 0.440 385 R N 0.831 121.361 120.500 0.051 0.000 2.073 385 R HA -0.032 4.564 4.340 0.426 0.000 0.234 385 R C 2.442 178.770 176.300 0.045 0.000 1.134 385 R CA 1.465 57.596 56.100 0.052 0.000 0.952 385 R CB -0.641 29.703 30.300 0.074 0.000 0.850 385 R HN 0.234 nan 8.270 nan 0.000 0.433 386 L N 0.587 121.839 121.223 0.050 0.000 2.012 386 L HA -0.144 4.452 4.340 0.426 0.000 0.210 386 L C 2.242 179.094 176.870 -0.030 0.000 1.073 386 L CA 2.121 56.969 54.840 0.014 0.000 0.748 386 L CB -1.040 40.985 42.059 -0.057 0.000 0.891 386 L HN 0.355 nan 8.230 nan 0.000 0.431 387 G N -0.548 108.223 108.800 -0.048 0.000 2.446 387 G HA2 -0.267 3.948 3.960 0.426 0.000 0.217 387 G HA3 -0.267 3.948 3.960 0.426 0.000 0.217 387 G C 1.600 176.486 174.900 -0.023 0.000 1.168 387 G CA 0.181 45.251 45.100 -0.050 0.000 0.771 387 G HN 0.241 nan 8.290 nan 0.000 0.551 388 R N 0.838 121.334 120.500 -0.008 0.000 2.073 388 R HA 0.012 4.607 4.340 0.426 0.000 0.234 388 R C 2.980 179.283 176.300 0.006 0.000 1.134 388 R CA 1.355 57.455 56.100 0.001 0.000 0.952 388 R CB -1.284 29.021 30.300 0.007 0.000 0.850 388 R HN 0.348 nan 8.270 nan 0.000 0.433 389 A N 1.202 124.030 122.820 0.013 0.000 1.908 389 A HA -0.135 4.440 4.320 0.426 0.000 0.218 389 A C 2.451 180.045 177.584 0.017 0.000 1.181 389 A CA 1.225 53.275 52.037 0.023 0.000 0.627 389 A CB -0.658 18.368 19.000 0.044 0.000 0.818 389 A HN 0.208 nan 8.150 nan 0.000 0.445 390 L N -0.674 120.550 121.223 0.001 0.000 2.012 390 L HA -0.234 4.362 4.340 0.426 0.000 0.210 390 L C 2.693 179.559 176.870 -0.006 0.000 1.073 390 L CA 1.854 56.688 54.840 -0.011 0.000 0.748 390 L CB -0.377 41.659 42.059 -0.039 0.000 0.891 390 L HN 0.384 nan 8.230 nan 0.000 0.431 391 K N -0.408 119.988 120.400 -0.007 0.000 2.032 391 K HA -0.152 4.423 4.320 0.426 0.000 0.209 391 K C 2.072 178.672 176.600 0.000 0.000 1.048 391 K CA 1.387 57.671 56.287 -0.005 0.000 0.927 391 K CB -0.576 31.921 32.500 -0.006 0.000 0.712 391 K HN 0.434 nan 8.250 nan 0.000 0.441 392 G N 1.709 110.512 108.800 0.004 0.000 2.446 392 G HA2 -0.261 3.954 3.960 0.426 0.000 0.217 392 G HA3 -0.261 3.954 3.960 0.426 0.000 0.217 392 G C 1.434 176.339 174.900 0.009 0.000 1.168 392 G CA 0.588 45.692 45.100 0.007 0.000 0.771 392 G HN 0.110 nan 8.290 nan 0.000 0.551 393 L N -0.075 121.155 121.223 0.012 0.000 2.093 393 L HA 0.130 4.725 4.340 0.426 0.000 0.208 393 L C 2.566 179.441 176.870 0.008 0.000 1.085 393 L CA 0.887 55.736 54.840 0.014 0.000 0.755 393 L CB -0.437 41.636 42.059 0.023 0.000 0.904 393 L HN 0.058 nan 8.230 nan 0.000 0.435 394 L N -0.621 120.604 121.223 0.003 0.000 2.131 394 L HA -0.095 4.500 4.340 0.426 0.000 0.210 394 L C 2.649 179.519 176.870 0.000 0.000 1.092 394 L CA 1.815 56.654 54.840 -0.001 0.000 0.759 394 L CB -1.831 40.226 42.059 -0.004 0.000 0.903 394 L HN 0.315 nan 8.230 nan 0.000 0.435 395 A N -0.963 121.858 122.820 0.002 0.000 1.972 395 A HA -0.054 4.521 4.320 0.426 0.000 0.219 395 A C 1.375 178.960 177.584 0.003 0.000 1.169 395 A CA 0.867 52.905 52.037 0.002 0.000 0.635 395 A CB -0.392 18.610 19.000 0.002 0.000 0.810 395 A HN 0.324 nan 8.150 nan 0.000 0.446 396 L N 0.000 121.226 121.223 0.004 0.000 2.949 396 L HA 0.000 4.595 4.340 0.426 0.000 0.249 396 L CA 0.000 54.843 54.840 0.005 0.000 0.813 396 L CB 0.000 42.063 42.059 0.007 0.000 0.961 396 L HN 0.000 nan 8.230 nan 0.000 0.502