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 3pdi_1_C DATA FIRST_RESID 24 DATA SEQUENCE GCAKPKPGAT DGGCSFDGAQ IALLPVADVA HIVHGPIACA GSSWDNRGTR DATA SEQUENCE SSGPDLYRIG MTTDLTENDV IMGRAEKRLF HAIRQAVESY SPPAVFVYNT DATA SEQUENCE CVPALIGDDV DAVCKAAAER FGTPVIPVDS AGFYGTKNLG NRIAGEAMLK DATA SEQUENCE YVIGTREPDP LPVGSERPGI RVHDVNLIGE YNIAGEFWHV LPLLDELGLR DATA SEQUENCE VLCTLAGDAR YREVQTMHRA EVNMMVCSKA MLNVARKLQE TYGTPWFEGS DATA SEQUENCE FYGITDTSQA LRDFARLLDD PDLTARTEAL IAREEAKVRA ALEPWRARLE DATA SEQUENCE GKRVLLYTGG VKSWSVVSAL QDLGMKVVAT GTKKSTEEDK ARIRELMGDD DATA SEQUENCE VKMLDEGNAR VLLKTVDEYQ ADILIAGGRN MYTALKGRVP FLDINQEREF DATA SEQUENCE GYAGYDGMLE LVRQLCITLE CPVWEAV 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 24 G C 0.000 174.918 174.900 0.031 0.000 0.946 24 G CA 0.000 45.115 45.100 0.025 0.000 0.502 25 C N -2.163 117.157 119.300 0.034 0.000 2.979 25 C HA 0.869 5.329 4.460 -0.000 0.000 0.390 25 C C 0.392 175.407 174.990 0.042 0.000 1.062 25 C CA -0.163 58.880 59.018 0.041 0.000 1.057 25 C CB 0.948 28.717 27.740 0.047 0.000 1.443 25 C HN 2.515 nan 8.230 nan 0.000 0.578 26 A N 1.281 124.127 122.820 0.043 0.000 1.535 26 A HA 0.769 5.089 4.320 -0.000 0.000 0.215 26 A C 0.206 177.817 177.584 0.045 0.000 1.813 26 A CA 1.254 53.316 52.037 0.041 0.000 1.373 26 A CB -0.075 18.944 19.000 0.033 0.000 1.304 26 A HN 2.505 nan 8.150 nan 0.000 0.391 27 K N -0.108 120.318 120.400 0.043 0.000 2.848 27 K HA -0.047 4.273 4.320 -0.000 0.000 1.000 27 K C -3.630 172.992 176.600 0.037 0.000 1.338 27 K CA 0.580 56.894 56.287 0.045 0.000 1.112 27 K CB -1.404 31.127 32.500 0.052 0.000 3.367 27 K HN 0.318 nan 8.250 nan 0.000 0.114 28 P HA 0.465 nan 4.420 nan 0.000 0.306 28 P C -0.946 176.372 177.300 0.030 0.000 1.415 28 P CA -0.745 62.373 63.100 0.030 0.000 0.959 28 P CB 1.163 32.880 31.700 0.029 0.000 1.003 29 K N 3.621 124.037 120.400 0.026 0.000 2.561 29 K HA 0.036 4.355 4.320 -0.000 0.000 0.280 29 K C -1.462 175.152 176.600 0.024 0.000 0.975 29 K CA -0.252 56.050 56.287 0.025 0.000 1.024 29 K CB -0.860 31.653 32.500 0.021 0.000 0.883 29 K HN 0.389 nan 8.250 nan 0.000 0.496 30 P HA -0.237 nan 4.420 nan 0.000 0.015 30 P C -0.727 176.587 177.300 0.023 0.000 0.595 30 P CA 1.335 64.449 63.100 0.022 0.000 1.033 30 P CB -0.779 30.931 31.700 0.017 0.000 1.904 31 G N -0.633 108.184 108.800 0.028 0.000 2.760 31 G HA2 0.506 4.466 3.960 -0.000 0.000 0.285 31 G HA3 0.506 4.466 3.960 -0.000 0.000 0.285 31 G C 0.513 175.437 174.900 0.040 0.000 1.496 31 G CA 0.239 45.358 45.100 0.031 0.000 1.026 31 G HN 0.270 nan 8.290 nan 0.000 0.536 32 A N 1.959 124.805 122.820 0.044 0.000 2.767 32 A HA -0.212 4.107 4.320 -0.000 0.000 0.282 32 A C 1.312 178.928 177.584 0.054 0.000 1.416 32 A CA 1.644 53.715 52.037 0.057 0.000 0.932 32 A CB -2.233 16.811 19.000 0.073 0.000 0.979 32 A HN 1.778 nan 8.150 nan 0.000 0.616 33 T N 1.009 115.590 114.554 0.045 0.000 3.842 33 T HA 0.478 4.827 4.350 -0.000 0.000 0.267 33 T C -0.360 174.367 174.700 0.045 0.000 1.173 33 T CA 0.271 62.398 62.100 0.045 0.000 1.142 33 T CB -0.366 68.526 68.868 0.040 0.000 1.191 33 T HN 0.662 nan 8.240 nan 0.000 0.895 34 D N 0.188 120.619 120.400 0.050 0.000 2.769 34 D HA 0.498 5.138 4.640 -0.000 0.000 0.219 34 D C 0.386 176.720 176.300 0.056 0.000 1.245 34 D CA -0.965 53.064 54.000 0.048 0.000 0.801 34 D CB 1.431 42.255 40.800 0.040 0.000 1.598 34 D HN 0.454 nan 8.370 nan 0.000 0.485 35 G N -0.150 108.684 108.800 0.056 0.000 3.845 35 G HA2 0.467 4.427 3.960 -0.000 0.000 0.198 35 G HA3 0.467 4.427 3.960 -0.000 0.000 0.198 35 G C 0.553 175.484 174.900 0.052 0.000 0.890 35 G CA 0.832 45.966 45.100 0.057 0.000 0.885 35 G HN 1.450 nan 8.290 nan 0.000 0.407 36 G N -0.911 107.926 108.800 0.061 0.000 2.690 36 G HA2 0.244 4.203 3.960 -0.000 0.000 0.686 36 G HA3 0.244 4.203 3.960 -0.000 0.000 0.686 36 G C 0.346 175.294 174.900 0.079 0.000 1.277 36 G CA -0.147 44.994 45.100 0.068 0.000 0.799 36 G HN 1.517 nan 8.290 nan 0.000 0.613 37 C N 0.157 119.520 119.300 0.104 0.000 2.640 37 C HA 0.648 5.107 4.460 -0.000 0.000 0.330 37 C C 2.343 177.385 174.990 0.088 0.000 1.416 37 C CA 0.163 59.252 59.018 0.119 0.000 2.396 37 C CB 0.542 28.376 27.740 0.156 0.000 2.330 37 C HN 0.992 nan 8.230 nan 0.000 0.704 38 S N -0.141 115.610 115.700 0.086 0.000 2.399 38 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 38 S C 1.332 175.946 174.600 0.023 0.000 1.022 38 S CA 1.647 59.868 58.200 0.035 0.000 0.983 38 S CB -0.567 62.637 63.200 0.007 0.000 0.803 38 S HN 0.781 nan 8.310 nan 0.000 0.480 39 F N 2.998 122.904 119.950 -0.073 0.000 2.026 39 F HA -0.209 4.317 4.527 -0.001 0.000 0.296 39 F C 2.241 178.002 175.800 -0.065 0.000 1.133 39 F CA 2.017 59.979 58.000 -0.063 0.000 1.188 39 F CB -0.677 38.284 39.000 -0.065 0.000 0.968 39 F HN 0.100 nan 8.300 nan 0.000 0.476 40 D N 0.355 120.600 120.400 -0.258 0.000 2.191 40 D HA -0.240 4.400 4.640 -0.000 0.000 0.190 40 D C 2.372 178.495 176.300 -0.296 0.000 1.007 40 D CA 1.984 55.787 54.000 -0.329 0.000 0.865 40 D CB -1.050 39.723 40.800 -0.045 0.000 0.929 40 D HN 0.466 nan 8.370 nan 0.000 0.447 41 G N 0.277 108.983 108.800 -0.157 0.000 2.459 41 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 41 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 41 G C 1.817 176.642 174.900 -0.125 0.000 1.183 41 G CA 1.964 46.997 45.100 -0.113 0.000 0.776 41 G HN 0.501 nan 8.290 nan 0.000 0.552 42 A N 0.045 122.797 122.820 -0.114 0.000 1.908 42 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 42 A C 2.307 179.835 177.584 -0.094 0.000 1.181 42 A CA 1.995 54.012 52.037 -0.033 0.000 0.627 42 A CB -0.475 18.571 19.000 0.076 0.000 0.818 42 A HN 0.430 nan 8.150 nan 0.000 0.445 43 Q N -0.947 118.601 119.800 -0.420 0.000 2.291 43 Q HA -0.059 4.281 4.340 -0.000 0.000 0.205 43 Q C 1.825 177.636 176.000 -0.315 0.000 0.970 43 Q CA 0.698 56.168 55.803 -0.556 0.000 0.876 43 Q CB -0.119 28.047 28.738 -0.953 0.000 0.935 43 Q HN 0.648 nan 8.270 nan 0.000 0.455 44 I N -0.191 120.215 120.570 -0.274 0.000 2.546 44 I HA -0.154 4.016 4.170 -0.000 0.000 0.255 44 I C 1.983 177.930 176.117 -0.284 0.000 1.163 44 I CA 0.870 62.000 61.300 -0.284 0.000 1.457 44 I CB -0.836 36.992 38.000 -0.287 0.000 1.092 44 I HN 0.043 nan 8.210 nan 0.000 0.434 45 A N -0.148 122.618 122.820 -0.090 0.000 2.115 45 A HA 0.176 4.496 4.320 -0.000 0.000 0.211 45 A C 2.152 179.897 177.584 0.268 0.000 1.169 45 A CA 0.327 52.457 52.037 0.154 0.000 0.787 45 A CB -0.030 19.069 19.000 0.164 0.000 0.858 45 A HN 0.347 nan 8.150 nan 0.000 0.474 46 L N -1.136 120.228 121.223 0.235 0.000 2.575 46 L HA 0.220 4.560 4.340 -0.000 0.000 0.228 46 L C 2.051 179.142 176.870 0.368 0.000 1.075 46 L CA 0.099 55.185 54.840 0.410 0.000 0.867 46 L CB -0.155 42.288 42.059 0.640 0.000 1.097 46 L HN 0.259 nan 8.230 nan 0.000 0.485 47 L N 1.084 122.334 121.223 0.046 0.000 2.079 47 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 47 L C -0.723 175.945 176.870 -0.336 0.000 1.081 47 L CA 1.226 55.867 54.840 -0.331 0.000 0.752 47 L CB -1.071 40.799 42.059 -0.315 0.000 0.896 47 L HN 0.238 nan 8.230 nan 0.000 0.433 48 P HA 0.016 nan 4.420 nan 0.000 0.258 48 P C -0.429 176.764 177.300 -0.178 0.000 1.559 48 P CA 0.533 63.418 63.100 -0.358 0.000 0.855 48 P CB -0.140 31.503 31.700 -0.095 0.000 1.594 49 V N 0.626 120.521 119.914 -0.032 0.000 2.247 49 V HA 0.300 4.419 4.120 -0.000 0.000 0.262 49 V C 1.672 177.843 176.094 0.128 0.000 1.096 49 V CA -0.041 62.317 62.300 0.096 0.000 0.895 49 V CB 0.143 32.101 31.823 0.225 0.000 1.141 49 V HN 0.124 nan 8.190 nan 0.000 0.478 50 A N 3.751 126.621 122.820 0.083 0.000 1.933 50 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 50 A C 1.801 179.535 177.584 0.250 0.000 1.175 50 A CA 1.884 54.083 52.037 0.270 0.000 0.628 50 A CB -0.175 18.999 19.000 0.291 0.000 0.814 50 A HN 0.827 nan 8.150 nan 0.000 0.444 51 D N -0.952 119.527 120.400 0.132 0.000 2.340 51 D HA 0.125 4.765 4.640 -0.000 0.000 0.220 51 D C 0.482 176.771 176.300 -0.018 0.000 1.039 51 D CA 0.001 54.041 54.000 0.066 0.000 0.866 51 D CB -0.568 40.267 40.800 0.058 0.000 0.913 51 D HN 0.176 nan 8.370 nan 0.000 0.523 52 V N 0.678 120.554 119.914 -0.064 0.000 3.083 52 V HA 0.536 4.655 4.120 -0.000 0.000 0.306 52 V C 0.502 176.448 176.094 -0.247 0.000 1.077 52 V CA -0.797 61.311 62.300 -0.320 0.000 1.073 52 V CB 1.433 32.829 31.823 -0.712 0.000 1.081 52 V HN 0.343 nan 8.190 nan 0.000 0.474 53 A N 2.034 124.643 122.820 -0.351 0.000 2.274 53 A HA 0.634 4.954 4.320 -0.000 0.000 0.309 53 A C -0.698 176.747 177.584 -0.232 0.000 1.226 53 A CA -0.305 51.612 52.037 -0.200 0.000 0.853 53 A CB -0.121 18.794 19.000 -0.141 0.000 1.146 53 A HN 0.967 nan 8.150 nan 0.000 0.518 54 H N 2.284 121.361 119.070 0.012 0.000 2.645 54 H HA 0.385 4.941 4.556 -0.001 0.000 0.257 54 H C -0.518 174.944 175.328 0.223 0.000 1.269 54 H CA -0.177 56.001 56.048 0.216 0.000 1.409 54 H CB 0.531 30.437 29.762 0.239 0.000 1.434 54 H HN 0.558 nan 8.280 nan 0.000 0.505 55 I N 2.959 123.706 120.570 0.294 0.000 2.342 55 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 55 I C -0.108 176.226 176.117 0.361 0.000 1.010 55 I CA -0.854 60.580 61.300 0.223 0.000 1.308 55 I CB 1.413 39.480 38.000 0.112 0.000 1.400 55 I HN 0.197 nan 8.210 nan 0.000 0.488 56 V N 6.130 126.213 119.914 0.282 0.000 2.370 56 V HA 0.134 4.254 4.120 -0.000 0.000 0.279 56 V C 0.282 176.490 176.094 0.189 0.000 1.029 56 V CA -0.466 62.008 62.300 0.290 0.000 0.870 56 V CB 1.033 32.972 31.823 0.195 0.000 0.984 56 V HN 0.653 nan 8.190 nan 0.000 0.451 57 H N 4.553 123.670 119.070 0.079 0.000 2.741 57 H HA 0.621 5.176 4.556 -0.001 0.000 0.261 57 H C 0.114 175.424 175.328 -0.030 0.000 1.365 57 H CA 0.354 56.420 56.048 0.029 0.000 1.266 57 H CB 0.707 30.497 29.762 0.047 0.000 1.485 57 H HN 0.827 nan 8.280 nan 0.000 0.529 58 G N 4.234 112.878 108.800 -0.262 0.000 2.650 58 G HA2 0.299 4.258 3.960 -0.000 0.000 0.310 58 G HA3 0.299 4.258 3.960 -0.000 0.000 0.310 58 G C -3.343 171.434 174.900 -0.206 0.000 1.270 58 G CA -0.958 43.969 45.100 -0.288 0.000 0.810 58 G HN 0.278 nan 8.290 nan 0.000 0.493 59 P HA 0.401 nan 4.420 nan 0.000 0.286 59 P C 1.213 178.466 177.300 -0.079 0.000 1.292 59 P CA -0.775 62.267 63.100 -0.096 0.000 0.842 59 P CB 1.184 32.840 31.700 -0.073 0.000 1.207 60 I N -1.147 119.398 120.570 -0.042 0.000 2.700 60 I HA -0.210 3.960 4.170 -0.000 0.000 0.261 60 I C 1.847 177.959 176.117 -0.008 0.000 1.219 60 I CA 1.472 62.763 61.300 -0.015 0.000 1.463 60 I CB -1.460 36.547 38.000 0.012 0.000 1.092 60 I HN 0.223 nan 8.210 nan 0.000 0.452 61 A N 1.702 124.506 122.820 -0.027 0.000 1.917 61 A HA -0.218 4.101 4.320 -0.000 0.000 0.219 61 A C 2.555 180.124 177.584 -0.026 0.000 1.182 61 A CA 2.238 54.265 52.037 -0.017 0.000 0.633 61 A CB -1.096 17.889 19.000 -0.025 0.000 0.819 61 A HN 0.644 nan 8.150 nan 0.000 0.448 62 C N -0.960 118.276 119.300 -0.106 0.000 2.548 62 C HA 0.234 4.694 4.460 -0.000 0.000 0.284 62 C C 3.059 178.043 174.990 -0.010 0.000 1.252 62 C CA 0.476 59.367 59.018 -0.213 0.000 1.725 62 C CB -1.551 25.892 27.740 -0.495 0.000 2.098 62 C HN 0.707 nan 8.230 nan 0.000 0.471 63 A N 1.106 123.928 122.820 0.003 0.000 1.935 63 A HA 0.344 4.664 4.320 -0.000 0.000 0.211 63 A C 2.420 180.115 177.584 0.184 0.000 1.388 63 A CA 1.983 54.084 52.037 0.108 0.000 0.600 63 A CB -1.789 17.227 19.000 0.026 0.000 1.011 63 A HN 0.908 nan 8.150 nan 0.000 0.481 64 G N -0.382 108.526 108.800 0.181 0.000 3.423 64 G HA2 -0.512 3.448 3.960 -0.000 0.000 0.355 64 G HA3 -0.512 3.448 3.960 -0.000 0.000 0.355 64 G C 1.896 177.040 174.900 0.407 0.000 1.761 64 G CA 3.783 49.080 45.100 0.328 0.000 1.950 64 G HN 1.445 nan 8.290 nan 0.000 1.079 65 S N 0.134 115.960 115.700 0.211 0.000 2.377 65 S HA 0.009 4.479 4.470 -0.000 0.000 0.223 65 S C 2.237 176.908 174.600 0.118 0.000 1.030 65 S CA 1.703 59.974 58.200 0.119 0.000 0.970 65 S CB -0.517 62.726 63.200 0.072 0.000 0.830 65 S HN 1.198 nan 8.310 nan 0.000 0.473 66 S N 0.101 115.902 115.700 0.168 0.000 2.786 66 S HA 0.075 4.545 4.470 -0.000 0.000 0.223 66 S C 0.854 175.548 174.600 0.156 0.000 0.956 66 S CA 0.028 58.303 58.200 0.125 0.000 0.961 66 S CB -0.660 62.622 63.200 0.137 0.000 0.784 66 S HN 0.827 nan 8.310 nan 0.000 0.519 67 W N 3.632 124.924 121.300 -0.014 0.000 2.678 67 W HA 0.100 4.759 4.660 -0.001 0.000 0.282 67 W C 1.218 177.710 176.519 -0.045 0.000 1.137 67 W CA 1.027 58.355 57.345 -0.028 0.000 1.515 67 W CB -0.742 28.708 29.460 -0.017 0.000 1.101 67 W HN 0.256 nan 8.180 nan 0.000 0.564 68 D N 0.773 120.921 120.400 -0.420 0.000 2.154 68 D HA -0.309 4.331 4.640 -0.000 0.000 0.190 68 D C 0.981 177.205 176.300 -0.126 0.000 1.003 68 D CA 2.084 55.850 54.000 -0.391 0.000 0.849 68 D CB -1.137 39.435 40.800 -0.380 0.000 0.942 68 D HN 0.365 nan 8.370 nan 0.000 0.446 69 N N 0.219 118.879 118.700 -0.066 0.000 2.820 69 N HA -0.178 4.562 4.740 -0.000 0.000 0.199 69 N C -0.486 175.002 175.510 -0.036 0.000 0.887 69 N CA 1.430 54.469 53.050 -0.018 0.000 0.962 69 N CB -0.340 38.167 38.487 0.033 0.000 1.062 69 N HN 0.589 nan 8.380 nan 0.000 0.580 70 R N 0.035 120.519 120.500 -0.028 0.000 2.663 70 R HA 0.545 4.885 4.340 -0.000 0.000 0.267 70 R C 0.521 176.799 176.300 -0.037 0.000 1.038 70 R CA 0.369 56.445 56.100 -0.040 0.000 0.886 70 R CB 1.057 31.330 30.300 -0.046 0.000 1.249 70 R HN 1.140 nan 8.270 nan 0.000 0.463 71 G N 1.158 109.928 108.800 -0.049 0.000 3.692 71 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.265 71 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.265 71 G C -0.252 174.621 174.900 -0.045 0.000 1.733 71 G CA 0.074 45.141 45.100 -0.056 0.000 1.144 71 G HN 0.946 nan 8.290 nan 0.000 0.602 72 T N 1.344 115.878 114.554 -0.033 0.000 2.854 72 T HA 0.412 4.761 4.350 -0.000 0.000 0.336 72 T C 0.495 175.189 174.700 -0.009 0.000 1.095 72 T CA 0.980 63.053 62.100 -0.045 0.000 1.118 72 T CB 0.979 69.754 68.868 -0.156 0.000 1.025 72 T HN 0.728 nan 8.240 nan 0.000 0.549 73 R N 0.134 120.615 120.500 -0.033 0.000 2.621 73 R HA 0.552 4.892 4.340 -0.000 0.000 0.292 73 R C -0.662 175.669 176.300 0.052 0.000 0.969 73 R CA -0.362 55.718 56.100 -0.034 0.000 0.887 73 R CB 1.986 32.152 30.300 -0.224 0.000 1.180 73 R HN 0.717 nan 8.270 nan 0.000 0.450 74 S N 0.419 116.205 115.700 0.144 0.000 2.593 74 S HA 0.347 4.817 4.470 -0.000 0.000 0.297 74 S C 0.064 174.807 174.600 0.238 0.000 1.112 74 S CA -0.535 57.790 58.200 0.208 0.000 1.043 74 S CB 1.216 64.597 63.200 0.302 0.000 1.054 74 S HN 0.646 nan 8.310 nan 0.000 0.516 75 S N 2.010 117.880 115.700 0.282 0.000 2.561 75 S HA 0.593 5.063 4.470 -0.000 0.000 0.245 75 S C 0.745 175.454 174.600 0.182 0.000 1.001 75 S CA 0.043 58.431 58.200 0.314 0.000 1.002 75 S CB 0.025 63.405 63.200 0.300 0.000 0.805 75 S HN 1.086 nan 8.310 nan 0.000 0.458 76 G N 1.948 110.842 108.800 0.157 0.000 2.927 76 G HA2 0.349 4.309 3.960 -0.000 0.000 0.111 76 G HA3 0.349 4.309 3.960 -0.000 0.000 0.111 76 G C -2.888 172.077 174.900 0.107 0.000 1.198 76 G CA -0.415 44.753 45.100 0.113 0.000 1.382 76 G HN 0.349 nan 8.290 nan 0.000 0.663 77 P HA 0.185 nan 4.420 nan 0.000 0.265 77 P C -0.888 176.477 177.300 0.107 0.000 1.187 77 P CA 0.683 63.838 63.100 0.091 0.000 0.766 77 P CB 0.923 32.681 31.700 0.098 0.000 0.820 78 D N 2.019 122.431 120.400 0.020 0.000 2.501 78 D HA -0.022 4.618 4.640 -0.000 0.000 0.224 78 D C 1.288 177.470 176.300 -0.197 0.000 1.202 78 D CA -0.404 53.532 54.000 -0.108 0.000 0.829 78 D CB -0.003 40.717 40.800 -0.134 0.000 1.023 78 D HN 0.059 nan 8.370 nan 0.000 0.499 79 L N 1.483 122.662 121.223 -0.074 0.000 2.081 79 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 79 L C 2.198 179.012 176.870 -0.092 0.000 1.080 79 L CA 1.810 56.584 54.840 -0.110 0.000 0.754 79 L CB -1.192 40.830 42.059 -0.062 0.000 0.893 79 L HN 0.299 nan 8.230 nan 0.000 0.433 80 Y N -2.149 118.144 120.300 -0.011 0.000 2.569 80 Y HA -0.048 4.502 4.550 0.000 0.000 0.293 80 Y C 2.136 177.995 175.900 -0.069 0.000 1.144 80 Y CA 0.631 58.701 58.100 -0.050 0.000 1.321 80 Y CB -0.736 37.646 38.460 -0.131 0.000 0.982 80 Y HN 0.014 nan 8.280 nan 0.000 0.558 81 R N 0.333 120.413 120.500 -0.700 0.000 2.276 81 R HA 0.140 4.480 4.340 -0.000 0.000 0.196 81 R C -0.352 175.868 176.300 -0.133 0.000 0.961 81 R CA 0.032 55.846 56.100 -0.478 0.000 1.024 81 R CB -0.054 29.921 30.300 -0.542 0.000 0.940 81 R HN 0.303 nan 8.270 nan 0.000 0.480 82 I N 0.940 121.399 120.570 -0.184 0.000 2.337 82 I HA 0.091 4.261 4.170 -0.000 0.000 0.291 82 I C 0.866 176.806 176.117 -0.296 0.000 1.046 82 I CA -0.262 60.918 61.300 -0.200 0.000 1.324 82 I CB 1.029 38.844 38.000 -0.309 0.000 1.409 82 I HN -0.021 nan 8.210 nan 0.000 0.494 83 G N 7.729 116.158 108.800 -0.617 0.000 2.299 83 G HA2 0.304 4.264 3.960 -0.000 0.000 0.256 83 G HA3 0.304 4.264 3.960 -0.000 0.000 0.256 83 G C -0.183 174.394 174.900 -0.539 0.000 1.259 83 G CA -0.389 44.156 45.100 -0.924 0.000 0.943 83 G HN 0.501 nan 8.290 nan 0.000 0.479 84 M N 1.722 121.152 119.600 -0.284 0.000 2.393 84 M HA 0.533 5.013 4.480 -0.000 0.000 0.316 84 M C -0.315 175.936 176.300 -0.082 0.000 1.087 84 M CA -0.478 54.726 55.300 -0.159 0.000 0.937 84 M CB 2.850 35.407 32.600 -0.072 0.000 1.668 84 M HN 0.533 nan 8.290 nan 0.000 0.438 85 T N 0.792 115.306 114.554 -0.067 0.000 3.289 85 T HA 0.162 4.511 4.350 -0.000 0.000 0.370 85 T C -1.204 173.497 174.700 0.001 0.000 1.546 85 T CA -0.506 61.587 62.100 -0.012 0.000 1.144 85 T CB 1.537 70.382 68.868 -0.037 0.000 1.379 85 T HN 0.755 nan 8.240 nan 0.000 0.478 86 T N 2.569 117.154 114.554 0.052 0.000 2.779 86 T HA 0.281 4.631 4.350 -0.000 0.000 0.296 86 T C -0.119 174.584 174.700 0.005 0.000 0.938 86 T CA 0.005 62.144 62.100 0.065 0.000 1.119 86 T CB 0.241 69.218 68.868 0.182 0.000 0.891 86 T HN 0.533 nan 8.240 nan 0.000 0.526 87 D N 5.182 125.581 120.400 -0.002 0.000 2.781 87 D HA 0.230 4.869 4.640 -0.000 0.000 0.254 87 D C 0.276 176.561 176.300 -0.025 0.000 1.213 87 D CA -0.395 53.591 54.000 -0.023 0.000 0.994 87 D CB -0.363 40.425 40.800 -0.019 0.000 1.019 87 D HN 0.592 nan 8.370 nan 0.000 0.514 88 L N 2.080 123.274 121.223 -0.049 0.000 2.654 88 L HA 0.072 4.412 4.340 -0.000 0.000 0.271 88 L C 1.481 178.334 176.870 -0.027 0.000 1.169 88 L CA -0.059 54.755 54.840 -0.044 0.000 0.947 88 L CB -0.309 41.695 42.059 -0.092 0.000 1.232 88 L HN 0.300 nan 8.230 nan 0.000 0.486 89 T N -1.219 113.329 114.554 -0.010 0.000 2.766 89 T HA 0.031 4.380 4.350 -0.000 0.000 0.295 89 T C 1.071 175.768 174.700 -0.004 0.000 1.024 89 T CA -0.303 61.794 62.100 -0.005 0.000 1.018 89 T CB 1.335 70.204 68.868 0.001 0.000 1.002 89 T HN 0.749 nan 8.240 nan 0.000 0.532 90 E N 1.051 121.250 120.200 -0.001 0.000 2.077 90 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 90 E C 1.806 178.409 176.600 0.006 0.000 0.989 90 E CA 1.810 58.210 56.400 0.001 0.000 0.800 90 E CB -0.388 29.313 29.700 0.002 0.000 0.746 90 E HN 0.812 nan 8.360 nan 0.000 0.452 91 N N 1.062 119.767 118.700 0.008 0.000 2.060 91 N HA -0.192 4.547 4.740 -0.000 0.000 0.195 91 N C 1.488 177.008 175.510 0.017 0.000 1.028 91 N CA 1.719 54.776 53.050 0.012 0.000 0.861 91 N CB -0.165 38.329 38.487 0.012 0.000 1.029 91 N HN 0.224 nan 8.380 nan 0.000 0.428 92 D N -0.030 120.381 120.400 0.019 0.000 2.228 92 D HA -0.118 4.522 4.640 -0.000 0.000 0.203 92 D C 1.830 178.147 176.300 0.028 0.000 0.988 92 D CA 1.034 55.052 54.000 0.029 0.000 0.864 92 D CB -0.183 40.635 40.800 0.031 0.000 0.928 92 D HN 0.358 nan 8.370 nan 0.000 0.469 93 V N -0.383 119.541 119.914 0.017 0.000 3.650 93 V HA 0.113 4.233 4.120 -0.000 0.000 0.271 93 V C 1.212 177.318 176.094 0.020 0.000 1.281 93 V CA -0.277 62.034 62.300 0.018 0.000 1.120 93 V CB -1.039 30.789 31.823 0.008 0.000 0.856 93 V HN 0.070 nan 8.190 nan 0.000 0.443 94 I N -0.147 120.434 120.570 0.018 0.000 2.624 94 I HA 0.412 4.582 4.170 -0.000 0.000 0.307 94 I C 0.574 176.705 176.117 0.023 0.000 1.191 94 I CA -0.471 60.840 61.300 0.018 0.000 1.708 94 I CB -1.181 36.827 38.000 0.015 0.000 1.521 94 I HN 0.188 nan 8.210 nan 0.000 0.805 95 M N 4.527 124.142 119.600 0.026 0.000 1.916 95 M HA 0.019 4.498 4.480 -0.000 0.000 0.291 95 M C 1.749 178.071 176.300 0.038 0.000 0.800 95 M CA 1.891 57.211 55.300 0.034 0.000 0.794 95 M CB -1.315 31.304 32.600 0.033 0.000 1.131 95 M HN 0.909 nan 8.290 nan 0.000 0.355 96 G N -0.688 108.140 108.800 0.047 0.000 2.579 96 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.222 96 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.222 96 G C 1.065 176.001 174.900 0.060 0.000 1.201 96 G CA 0.626 45.754 45.100 0.046 0.000 0.710 96 G HN 0.745 nan 8.290 nan 0.000 0.516 97 R N 1.933 122.470 120.500 0.063 0.000 2.193 97 R HA 0.337 4.677 4.340 -0.000 0.000 0.229 97 R C 2.909 179.277 176.300 0.114 0.000 1.110 97 R CA 2.449 58.597 56.100 0.080 0.000 0.988 97 R CB -0.750 29.590 30.300 0.066 0.000 0.871 97 R HN 0.954 nan 8.270 nan 0.000 0.458 98 A N 0.482 123.373 122.820 0.118 0.000 1.927 98 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 98 A C 1.934 179.673 177.584 0.258 0.000 1.185 98 A CA 2.028 54.181 52.037 0.193 0.000 0.639 98 A CB -0.486 18.623 19.000 0.181 0.000 0.820 98 A HN 0.548 nan 8.150 nan 0.000 0.451 99 E N -0.429 119.860 120.200 0.149 0.000 2.028 99 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 99 E C 2.079 178.744 176.600 0.108 0.000 0.984 99 E CA 0.953 57.405 56.400 0.087 0.000 0.800 99 E CB -0.118 29.603 29.700 0.036 0.000 0.758 99 E HN 0.434 nan 8.360 nan 0.000 0.448 100 K N 0.956 121.425 120.400 0.115 0.000 2.015 100 K HA -0.242 4.078 4.320 -0.000 0.000 0.220 100 K C 2.108 178.890 176.600 0.303 0.000 1.055 100 K CA 1.288 57.682 56.287 0.180 0.000 0.951 100 K CB -0.561 32.066 32.500 0.211 0.000 0.725 100 K HN 0.100 nan 8.250 nan 0.000 0.449 101 R N 0.823 121.488 120.500 0.274 0.000 2.133 101 R HA -0.168 4.172 4.340 -0.000 0.000 0.245 101 R C 2.506 178.942 176.300 0.227 0.000 1.137 101 R CA 1.565 57.824 56.100 0.264 0.000 0.947 101 R CB -0.831 29.586 30.300 0.195 0.000 0.865 101 R HN 0.312 nan 8.270 nan 0.000 0.437 102 L N -0.028 121.303 121.223 0.179 0.000 2.012 102 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 102 L C 2.376 179.281 176.870 0.057 0.000 1.073 102 L CA 1.536 56.419 54.840 0.070 0.000 0.748 102 L CB -0.382 41.575 42.059 -0.170 0.000 0.891 102 L HN 0.115 nan 8.230 nan 0.000 0.431 103 F N 0.492 120.400 119.950 -0.071 0.000 2.126 103 F HA -0.292 4.234 4.527 -0.000 0.000 0.299 103 F C 2.259 177.969 175.800 -0.150 0.000 1.096 103 F CA 2.259 60.194 58.000 -0.109 0.000 1.255 103 F CB -0.308 38.577 39.000 -0.191 0.000 0.997 103 F HN 0.238 nan 8.300 nan 0.000 0.479 104 H N -1.074 118.073 119.070 0.128 0.000 2.470 104 H HA 0.132 4.688 4.556 -0.000 0.000 0.289 104 H C 2.238 177.498 175.328 -0.113 0.000 1.033 104 H CA 0.769 56.813 56.048 -0.007 0.000 1.331 104 H CB -0.261 29.550 29.762 0.082 0.000 1.414 104 H HN 0.321 nan 8.280 nan 0.000 0.545 105 A N 0.890 123.732 122.820 0.036 0.000 1.898 105 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 105 A C 2.199 179.714 177.584 -0.115 0.000 1.181 105 A CA 1.299 53.328 52.037 -0.013 0.000 0.620 105 A CB -0.583 18.440 19.000 0.039 0.000 0.819 105 A HN 0.321 nan 8.150 nan 0.000 0.442 106 I N -0.812 119.642 120.570 -0.193 0.000 2.179 106 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 106 I C 2.627 178.436 176.117 -0.513 0.000 1.088 106 I CA 1.720 62.844 61.300 -0.294 0.000 1.357 106 I CB -0.427 37.403 38.000 -0.282 0.000 1.051 106 I HN 0.350 nan 8.210 nan 0.000 0.409 107 R N 1.063 121.073 120.500 -0.817 0.000 2.117 107 R HA -0.282 4.058 4.340 -0.000 0.000 0.243 107 R C 2.349 178.370 176.300 -0.465 0.000 1.143 107 R CA 2.063 57.554 56.100 -1.016 0.000 0.968 107 R CB -0.317 29.418 30.300 -0.941 0.000 0.863 107 R HN 0.474 nan 8.270 nan 0.000 0.444 108 Q N -0.357 119.283 119.800 -0.267 0.000 2.079 108 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 108 Q C 1.964 177.893 176.000 -0.118 0.000 0.974 108 Q CA 1.645 57.357 55.803 -0.152 0.000 0.840 108 Q CB -0.129 28.564 28.738 -0.076 0.000 0.898 108 Q HN 0.485 nan 8.270 nan 0.000 0.430 109 A N 0.369 123.137 122.820 -0.086 0.000 1.883 109 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 109 A C 2.175 179.746 177.584 -0.023 0.000 1.186 109 A CA 1.974 54.025 52.037 0.023 0.000 0.624 109 A CB -1.006 17.976 19.000 -0.031 0.000 0.822 109 A HN 0.426 nan 8.150 nan 0.000 0.444 110 V N -1.056 118.766 119.914 -0.153 0.000 2.453 110 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 110 V C 2.298 178.314 176.094 -0.131 0.000 1.048 110 V CA 2.069 64.280 62.300 -0.148 0.000 1.049 110 V CB -0.956 30.741 31.823 -0.210 0.000 0.672 110 V HN 0.738 nan 8.190 nan 0.000 0.457 111 E N 1.808 121.906 120.200 -0.170 0.000 2.076 111 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 111 E C 2.107 178.594 176.600 -0.189 0.000 0.979 111 E CA 1.878 58.190 56.400 -0.146 0.000 0.807 111 E CB -0.516 29.102 29.700 -0.136 0.000 0.761 111 E HN 0.614 nan 8.360 nan 0.000 0.454 112 S N 0.056 115.590 115.700 -0.277 0.000 2.368 112 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 112 S C 1.434 175.630 174.600 -0.673 0.000 1.029 112 S CA 1.433 59.303 58.200 -0.549 0.000 0.988 112 S CB -0.327 62.369 63.200 -0.841 0.000 0.838 112 S HN 0.385 nan 8.310 nan 0.000 0.462 113 Y N 0.588 120.844 120.300 -0.074 0.000 2.430 113 Y HA 0.336 4.886 4.550 -0.001 0.000 0.248 113 Y C 1.207 177.066 175.900 -0.067 0.000 1.108 113 Y CA -0.522 57.539 58.100 -0.066 0.000 1.264 113 Y CB -0.169 38.250 38.460 -0.069 0.000 1.172 113 Y HN 0.010 nan 8.280 nan 0.000 0.520 114 S N 0.656 116.366 115.700 0.017 0.000 3.581 114 S HA -0.144 4.326 4.470 -0.000 0.000 0.354 114 S C -2.178 172.413 174.600 -0.016 0.000 1.059 114 S CA 0.216 58.408 58.200 -0.013 0.000 1.060 114 S CB -1.787 61.402 63.200 -0.018 0.000 0.908 114 S HN 0.370 nan 8.310 nan 0.000 0.475 115 P HA 0.078 nan 4.420 nan 0.000 0.271 115 P C -1.448 175.777 177.300 -0.125 0.000 1.233 115 P CA -0.882 62.172 63.100 -0.076 0.000 0.795 115 P CB 0.110 31.734 31.700 -0.128 0.000 0.936 116 P HA 0.030 nan 4.420 nan 0.000 0.220 116 P C 0.270 177.308 177.300 -0.436 0.000 1.152 116 P CA 1.303 64.272 63.100 -0.218 0.000 0.812 116 P CB 0.262 31.866 31.700 -0.161 0.000 0.792 117 A N -1.506 120.997 122.820 -0.528 0.000 2.581 117 A HA 0.619 4.939 4.320 -0.000 0.000 0.290 117 A C -1.730 175.574 177.584 -0.466 0.000 1.119 117 A CA -0.450 51.200 52.037 -0.645 0.000 0.670 117 A CB 1.532 19.699 19.000 -1.388 0.000 1.280 117 A HN -0.171 nan 8.150 nan 0.000 0.425 118 V N 0.550 120.298 119.914 -0.277 0.000 2.733 118 V HA 0.615 4.735 4.120 -0.000 0.000 0.306 118 V C -1.749 174.436 176.094 0.150 0.000 1.084 118 V CA -0.447 61.739 62.300 -0.189 0.000 0.905 118 V CB 1.721 33.466 31.823 -0.129 0.000 1.010 118 V HN 0.677 nan 8.190 nan 0.000 0.424 119 F N 3.362 123.121 119.950 -0.317 0.000 2.427 119 F HA 0.595 5.122 4.527 -0.000 0.000 0.348 119 F C 0.031 175.625 175.800 -0.344 0.000 1.125 119 F CA -1.496 56.278 58.000 -0.376 0.000 0.989 119 F CB 1.834 40.541 39.000 -0.489 0.000 1.165 119 F HN 0.141 nan 8.300 nan 0.000 0.442 120 V N 5.112 124.942 119.914 -0.141 0.000 2.370 120 V HA 0.275 4.395 4.120 -0.000 0.000 0.279 120 V C -0.641 175.362 176.094 -0.151 0.000 1.029 120 V CA -0.816 61.444 62.300 -0.067 0.000 0.870 120 V CB 0.626 32.423 31.823 -0.043 0.000 0.984 120 V HN 0.441 nan 8.190 nan 0.000 0.451 121 Y N 3.410 123.820 120.300 0.183 0.000 2.320 121 Y HA 0.319 4.868 4.550 -0.001 0.000 0.334 121 Y C 0.786 176.797 175.900 0.185 0.000 1.055 121 Y CA -0.186 58.049 58.100 0.224 0.000 1.143 121 Y CB 0.751 39.458 38.460 0.412 0.000 1.193 121 Y HN 0.594 nan 8.280 nan 0.000 0.477 122 N N 1.154 120.003 118.700 0.247 0.000 2.495 122 N HA 0.514 5.253 4.740 -0.000 0.000 0.280 122 N C -1.160 174.375 175.510 0.042 0.000 1.168 122 N CA -0.098 53.038 53.050 0.144 0.000 0.978 122 N CB 0.975 39.514 38.487 0.086 0.000 1.191 122 N HN 0.716 nan 8.380 nan 0.000 0.497 123 T N -0.017 114.515 114.554 -0.036 0.000 2.868 123 T HA 0.220 4.570 4.350 -0.000 0.000 0.306 123 T C 1.146 175.733 174.700 -0.187 0.000 1.224 123 T CA -0.710 61.272 62.100 -0.197 0.000 1.012 123 T CB 0.948 69.635 68.868 -0.301 0.000 1.221 123 T HN 0.618 nan 8.240 nan 0.000 0.499 124 C N 0.688 119.826 119.300 -0.272 0.000 2.393 124 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 124 C C 2.792 177.838 174.990 0.092 0.000 1.215 124 C CA 0.727 59.581 59.018 -0.273 0.000 1.743 124 C CB -1.246 26.472 27.740 -0.037 0.000 2.044 124 C HN 0.772 nan 8.230 nan 0.000 0.464 125 V N 1.867 121.805 119.914 0.039 0.000 2.231 125 V HA -0.176 3.943 4.120 -0.000 0.000 0.248 125 V C -0.176 175.959 176.094 0.069 0.000 1.054 125 V CA 2.651 64.986 62.300 0.059 0.000 1.015 125 V CB -1.769 30.046 31.823 -0.013 0.000 0.638 125 V HN 0.401 nan 8.190 nan 0.000 0.444 126 P HA -0.057 nan 4.420 nan 0.000 0.221 126 P C 1.496 178.888 177.300 0.154 0.000 1.150 126 P CA 1.644 64.796 63.100 0.087 0.000 0.800 126 P CB -0.125 31.635 31.700 0.100 0.000 0.787 127 A N -0.820 122.099 122.820 0.164 0.000 1.969 127 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 127 A C 2.110 179.852 177.584 0.264 0.000 1.169 127 A CA 1.168 53.347 52.037 0.237 0.000 0.635 127 A CB -1.542 17.628 19.000 0.283 0.000 0.810 127 A HN 0.141 nan 8.150 nan 0.000 0.445 128 L N 0.471 121.866 121.223 0.287 0.000 1.988 128 L HA -0.036 4.303 4.340 -0.000 0.000 0.207 128 L C 2.174 179.112 176.870 0.113 0.000 1.071 128 L CA 1.927 56.890 54.840 0.205 0.000 0.744 128 L CB -0.392 41.782 42.059 0.191 0.000 0.893 128 L HN 0.579 nan 8.230 nan 0.000 0.433 129 I N -2.404 118.227 120.570 0.102 0.000 3.454 129 I HA 0.155 4.325 4.170 -0.000 0.000 0.297 129 I C 1.241 177.404 176.117 0.076 0.000 1.298 129 I CA 0.716 62.060 61.300 0.074 0.000 1.297 129 I CB -1.315 36.724 38.000 0.065 0.000 1.017 129 I HN 0.451 nan 8.210 nan 0.000 0.528 130 G N 1.179 110.034 108.800 0.092 0.000 2.136 130 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 130 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 130 G C -0.209 174.744 174.900 0.088 0.000 0.989 130 G CA 0.247 45.397 45.100 0.083 0.000 0.682 130 G HN 0.561 nan 8.290 nan 0.000 0.522 131 D N 0.685 121.152 120.400 0.113 0.000 2.531 131 D HA 0.333 4.973 4.640 -0.000 0.000 0.239 131 D C 0.338 176.688 176.300 0.083 0.000 1.144 131 D CA 0.291 54.360 54.000 0.114 0.000 0.869 131 D CB 0.656 41.574 40.800 0.195 0.000 1.160 131 D HN 0.161 nan 8.370 nan 0.000 0.484 132 D N 2.845 123.275 120.400 0.050 0.000 2.483 132 D HA 0.022 4.661 4.640 -0.000 0.000 0.220 132 D C 1.301 177.605 176.300 0.008 0.000 1.173 132 D CA -0.444 53.575 54.000 0.031 0.000 0.964 132 D CB 0.301 41.113 40.800 0.019 0.000 1.046 132 D HN 0.142 nan 8.370 nan 0.000 0.517 133 V N 1.384 121.303 119.914 0.008 0.000 2.237 133 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 133 V C 1.553 177.633 176.094 -0.022 0.000 1.046 133 V CA 1.504 63.785 62.300 -0.031 0.000 1.007 133 V CB -0.727 31.086 31.823 -0.017 0.000 0.638 133 V HN 0.232 nan 8.190 nan 0.000 0.445 134 D N 1.935 122.331 120.400 -0.007 0.000 2.154 134 D HA -0.214 4.426 4.640 -0.000 0.000 0.190 134 D C 2.196 178.496 176.300 -0.001 0.000 1.003 134 D CA 2.493 56.488 54.000 -0.008 0.000 0.849 134 D CB -0.700 40.100 40.800 0.001 0.000 0.942 134 D HN 0.618 nan 8.370 nan 0.000 0.446 135 A N 0.266 123.089 122.820 0.004 0.000 1.897 135 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 135 A C 2.446 180.044 177.584 0.023 0.000 1.181 135 A CA 1.064 53.105 52.037 0.007 0.000 0.620 135 A CB -0.687 18.313 19.000 -0.000 0.000 0.821 135 A HN 0.153 nan 8.150 nan 0.000 0.443 136 V N -0.774 119.155 119.914 0.025 0.000 2.469 136 V HA -0.332 3.787 4.120 -0.000 0.000 0.251 136 V C 2.583 178.751 176.094 0.123 0.000 1.064 136 V CA 1.992 64.338 62.300 0.078 0.000 1.066 136 V CB -1.176 30.670 31.823 0.038 0.000 0.667 136 V HN 0.715 nan 8.190 nan 0.000 0.461 137 C N -0.663 118.665 119.300 0.047 0.000 2.476 137 C HA -0.097 4.363 4.460 -0.000 0.000 0.278 137 C C 2.821 177.840 174.990 0.049 0.000 1.274 137 C CA 0.988 60.023 59.018 0.029 0.000 1.713 137 C CB -0.750 26.979 27.740 -0.017 0.000 2.039 137 C HN 0.523 nan 8.230 nan 0.000 0.484 138 K N 1.301 121.725 120.400 0.039 0.000 2.057 138 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 138 K C 2.102 178.738 176.600 0.059 0.000 1.049 138 K CA 1.699 58.006 56.287 0.034 0.000 0.931 138 K CB -0.379 32.132 32.500 0.018 0.000 0.714 138 K HN 0.415 nan 8.250 nan 0.000 0.440 139 A N 1.131 124.010 122.820 0.100 0.000 1.908 139 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 139 A C 2.354 180.066 177.584 0.214 0.000 1.181 139 A CA 2.125 54.252 52.037 0.151 0.000 0.627 139 A CB -0.690 18.419 19.000 0.183 0.000 0.818 139 A HN 0.460 nan 8.150 nan 0.000 0.445 140 A N -0.195 122.783 122.820 0.264 0.000 1.873 140 A HA 0.201 4.521 4.320 -0.000 0.000 0.215 140 A C 2.521 180.214 177.584 0.182 0.000 1.186 140 A CA 2.121 54.284 52.037 0.209 0.000 0.616 140 A CB -1.231 17.829 19.000 0.100 0.000 0.823 140 A HN 1.144 nan 8.150 nan 0.000 0.442 141 A N 0.235 123.108 122.820 0.089 0.000 1.859 141 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 141 A C 1.876 179.469 177.584 0.015 0.000 1.242 141 A CA 2.119 54.184 52.037 0.046 0.000 0.661 141 A CB -1.092 17.921 19.000 0.022 0.000 0.842 141 A HN 0.637 nan 8.150 nan 0.000 0.455 142 E N -0.880 119.312 120.200 -0.013 0.000 2.086 142 E HA -0.250 4.100 4.350 -0.000 0.000 0.200 142 E C 2.295 178.812 176.600 -0.140 0.000 1.012 142 E CA 1.473 57.842 56.400 -0.053 0.000 0.812 142 E CB -0.287 29.388 29.700 -0.043 0.000 0.743 142 E HN 0.516 nan 8.360 nan 0.000 0.453 143 R N -0.530 119.791 120.500 -0.297 0.000 2.148 143 R HA -0.068 4.272 4.340 -0.000 0.000 0.227 143 R C 1.673 177.592 176.300 -0.636 0.000 1.103 143 R CA 1.061 56.812 56.100 -0.582 0.000 0.983 143 R CB 0.018 29.729 30.300 -0.982 0.000 0.874 143 R HN 0.262 nan 8.270 nan 0.000 0.451 144 F N -2.140 117.777 119.950 -0.054 0.000 2.778 144 F HA 0.305 4.832 4.527 -0.000 0.000 0.314 144 F C 1.400 177.162 175.800 -0.062 0.000 1.073 144 F CA 0.215 58.168 58.000 -0.077 0.000 1.218 144 F CB 0.871 39.788 39.000 -0.137 0.000 1.037 144 F HN 0.094 nan 8.300 nan 0.000 0.594 145 G N 1.136 109.988 108.800 0.087 0.000 2.141 145 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.231 145 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.231 145 G C -0.023 174.888 174.900 0.018 0.000 0.984 145 G CA 0.187 45.309 45.100 0.036 0.000 0.660 145 G HN 0.224 nan 8.290 nan 0.000 0.525 146 T N 2.232 116.796 114.554 0.017 0.000 2.792 146 T HA 0.563 4.913 4.350 -0.000 0.000 0.280 146 T C -2.594 172.067 174.700 -0.064 0.000 0.990 146 T CA -1.080 60.992 62.100 -0.047 0.000 0.960 146 T CB 2.508 71.336 68.868 -0.067 0.000 0.939 146 T HN 0.001 nan 8.240 nan 0.000 0.439 147 P HA 0.175 nan 4.420 nan 0.000 0.263 147 P C -0.972 176.267 177.300 -0.102 0.000 1.195 147 P CA -0.146 62.899 63.100 -0.091 0.000 0.762 147 P CB 0.305 31.930 31.700 -0.125 0.000 0.799 148 V N 5.835 125.721 119.914 -0.047 0.000 2.409 148 V HA 0.327 4.447 4.120 -0.000 0.000 0.291 148 V C 0.178 176.240 176.094 -0.054 0.000 1.020 148 V CA -0.563 61.716 62.300 -0.035 0.000 0.848 148 V CB 1.370 33.177 31.823 -0.026 0.000 0.990 148 V HN 0.287 nan 8.190 nan 0.000 0.430 149 I N 8.025 128.541 120.570 -0.090 0.000 2.354 149 I HA 0.543 4.713 4.170 -0.000 0.000 0.292 149 I C -2.335 173.609 176.117 -0.289 0.000 0.989 149 I CA -2.450 58.694 61.300 -0.261 0.000 1.188 149 I CB 2.066 39.687 38.000 -0.633 0.000 1.342 149 I HN 0.436 nan 8.210 nan 0.000 0.457 150 P HA 0.319 nan 4.420 nan 0.000 0.301 150 P C -1.040 176.129 177.300 -0.218 0.000 1.338 150 P CA -0.526 62.464 63.100 -0.184 0.000 0.834 150 P CB 1.499 33.139 31.700 -0.101 0.000 0.967 151 V N 3.299 123.058 119.914 -0.259 0.000 2.311 151 V HA 0.211 4.331 4.120 -0.000 0.000 0.275 151 V C 0.298 176.345 176.094 -0.079 0.000 1.022 151 V CA -0.233 61.948 62.300 -0.198 0.000 0.830 151 V CB 0.890 32.543 31.823 -0.283 0.000 1.012 151 V HN 0.446 nan 8.190 nan 0.000 0.452 152 D N 4.175 124.531 120.400 -0.073 0.000 2.479 152 D HA 0.382 5.022 4.640 -0.000 0.000 0.218 152 D C 0.381 176.527 176.300 -0.256 0.000 1.131 152 D CA 0.074 54.029 54.000 -0.076 0.000 0.916 152 D CB 0.827 41.628 40.800 0.001 0.000 1.022 152 D HN 0.675 nan 8.370 nan 0.000 0.515 153 S N 1.899 117.413 115.700 -0.311 0.000 2.593 153 S HA 0.497 4.967 4.470 -0.000 0.000 0.178 153 S C 0.245 174.570 174.600 -0.457 0.000 1.114 153 S CA -0.703 57.136 58.200 -0.603 0.000 1.199 153 S CB -0.002 63.043 63.200 -0.259 0.000 1.564 153 S HN 0.414 nan 8.310 nan 0.000 0.407 154 A N 1.006 123.518 122.820 -0.513 0.000 2.613 154 A HA 0.502 4.822 4.320 -0.000 0.000 0.230 154 A C 1.672 179.137 177.584 -0.199 0.000 1.051 154 A CA 0.445 52.319 52.037 -0.273 0.000 0.754 154 A CB -0.581 18.259 19.000 -0.267 0.000 0.979 154 A HN 1.268 nan 8.150 nan 0.000 0.510 155 G N 1.478 110.199 108.800 -0.131 0.000 2.513 155 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.219 155 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.219 155 G C 1.023 176.008 174.900 0.141 0.000 1.160 155 G CA 1.579 46.696 45.100 0.029 0.000 0.767 155 G HN 1.210 nan 8.290 nan 0.000 0.571 156 F N -0.125 119.975 119.950 0.250 0.000 2.722 156 F HA 0.198 4.725 4.527 -0.000 0.000 0.298 156 F C 1.852 177.777 175.800 0.209 0.000 1.175 156 F CA -0.812 57.295 58.000 0.179 0.000 1.462 156 F CB -1.029 38.027 39.000 0.093 0.000 1.111 156 F HN 0.132 nan 8.300 nan 0.000 0.592 157 Y N 1.626 122.103 120.300 0.295 0.000 2.224 157 Y HA 0.287 4.836 4.550 -0.000 0.000 0.289 157 Y C 1.917 177.916 175.900 0.165 0.000 1.146 157 Y CA 0.343 58.591 58.100 0.246 0.000 1.182 157 Y CB -0.924 37.618 38.460 0.136 0.000 0.983 157 Y HN 0.312 nan 8.280 nan 0.000 0.524 158 G N -1.612 107.372 108.800 0.306 0.000 2.498 158 G HA2 0.265 4.225 3.960 -0.000 0.000 0.181 158 G HA3 0.265 4.225 3.960 -0.000 0.000 0.181 158 G C -0.569 174.416 174.900 0.142 0.000 1.169 158 G CA -0.304 44.910 45.100 0.191 0.000 0.992 158 G HN 0.111 nan 8.290 nan 0.000 0.490 159 T N -0.221 114.396 114.554 0.104 0.000 2.852 159 T HA 0.452 4.802 4.350 -0.000 0.000 0.281 159 T C 1.284 176.019 174.700 0.058 0.000 0.993 159 T CA 0.076 62.223 62.100 0.078 0.000 0.933 159 T CB 1.398 70.304 68.868 0.065 0.000 1.187 159 T HN 0.467 nan 8.240 nan 0.000 0.559 160 K N 0.843 121.266 120.400 0.039 0.000 2.001 160 K HA -0.164 4.156 4.320 -0.000 0.000 0.214 160 K C 2.165 178.770 176.600 0.008 0.000 1.050 160 K CA 1.505 57.797 56.287 0.009 0.000 0.934 160 K CB -0.730 31.768 32.500 -0.004 0.000 0.718 160 K HN 0.513 nan 8.250 nan 0.000 0.443 161 N N 1.661 120.374 118.700 0.021 0.000 2.049 161 N HA -0.221 4.519 4.740 -0.000 0.000 0.198 161 N C 1.801 177.326 175.510 0.025 0.000 1.030 161 N CA 1.131 54.195 53.050 0.023 0.000 0.870 161 N CB -0.463 38.043 38.487 0.031 0.000 1.045 161 N HN 0.151 nan 8.380 nan 0.000 0.434 162 L N 1.428 122.674 121.223 0.038 0.000 2.043 162 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 162 L C 2.143 179.026 176.870 0.022 0.000 1.075 162 L CA 2.048 56.915 54.840 0.045 0.000 0.752 162 L CB -1.454 40.653 42.059 0.080 0.000 0.891 162 L HN 0.143 nan 8.230 nan 0.000 0.432 163 G N -0.790 108.015 108.800 0.008 0.000 2.443 163 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.219 163 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.219 163 G C 1.360 176.255 174.900 -0.008 0.000 1.131 163 G CA 0.775 45.865 45.100 -0.017 0.000 0.775 163 G HN 0.447 nan 8.290 nan 0.000 0.547 164 N N -0.122 118.577 118.700 -0.000 0.000 2.142 164 N HA -0.052 4.687 4.740 -0.000 0.000 0.186 164 N C 2.177 177.699 175.510 0.019 0.000 1.023 164 N CA 1.035 54.094 53.050 0.015 0.000 0.852 164 N CB -0.146 38.353 38.487 0.020 0.000 0.998 164 N HN 0.295 nan 8.380 nan 0.000 0.424 165 R N 0.549 121.056 120.500 0.011 0.000 2.066 165 R HA 0.067 4.407 4.340 -0.000 0.000 0.232 165 R C 1.854 178.154 176.300 0.000 0.000 1.131 165 R CA 1.021 57.123 56.100 0.004 0.000 0.955 165 R CB -0.212 30.094 30.300 0.010 0.000 0.851 165 R HN 0.231 nan 8.270 nan 0.000 0.432 166 I N 0.808 121.377 120.570 -0.001 0.000 2.423 166 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 166 I C 2.293 178.401 176.117 -0.015 0.000 1.151 166 I CA 1.139 62.431 61.300 -0.014 0.000 1.421 166 I CB -0.477 37.497 38.000 -0.044 0.000 1.079 166 I HN 0.349 nan 8.210 nan 0.000 0.431 167 A N 1.050 123.873 122.820 0.006 0.000 1.897 167 A HA -0.019 4.300 4.320 -0.000 0.000 0.215 167 A C 2.462 180.049 177.584 0.006 0.000 1.181 167 A CA 1.517 53.568 52.037 0.024 0.000 0.620 167 A CB -1.166 17.880 19.000 0.076 0.000 0.821 167 A HN 0.412 nan 8.150 nan 0.000 0.443 168 G N 0.059 108.859 108.800 0.001 0.000 2.480 168 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.216 168 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.216 168 G C 1.436 176.319 174.900 -0.030 0.000 1.200 168 G CA 1.302 46.390 45.100 -0.020 0.000 0.782 168 G HN 0.706 nan 8.290 nan 0.000 0.554 169 E N 0.748 120.932 120.200 -0.027 0.000 2.068 169 E HA -0.233 4.117 4.350 -0.000 0.000 0.207 169 E C 2.659 179.238 176.600 -0.035 0.000 1.032 169 E CA 1.814 58.198 56.400 -0.026 0.000 0.839 169 E CB -0.503 29.187 29.700 -0.017 0.000 0.758 169 E HN 0.332 nan 8.360 nan 0.000 0.457 170 A N 0.775 123.564 122.820 -0.052 0.000 1.978 170 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 170 A C 2.117 179.660 177.584 -0.069 0.000 1.170 170 A CA 1.788 53.775 52.037 -0.085 0.000 0.636 170 A CB -0.431 18.477 19.000 -0.152 0.000 0.810 170 A HN 0.380 nan 8.150 nan 0.000 0.448 171 M N 0.274 119.847 119.600 -0.046 0.000 2.700 171 M HA -0.039 4.441 4.480 -0.000 0.000 0.249 171 M C 1.761 178.039 176.300 -0.036 0.000 1.082 171 M CA 0.572 55.864 55.300 -0.013 0.000 1.077 171 M CB -1.240 31.355 32.600 -0.010 0.000 1.477 171 M HN 0.600 nan 8.290 nan 0.000 0.529 172 L N 0.688 121.894 121.223 -0.028 0.000 2.093 172 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 172 L C 1.679 178.544 176.870 -0.009 0.000 1.085 172 L CA 1.796 56.624 54.840 -0.019 0.000 0.755 172 L CB -1.392 40.659 42.059 -0.014 0.000 0.904 172 L HN 0.345 nan 8.230 nan 0.000 0.435 173 K N -2.434 117.970 120.400 0.006 0.000 2.520 173 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 173 K C 0.935 177.606 176.600 0.118 0.000 1.035 173 K CA 0.449 56.755 56.287 0.032 0.000 1.188 173 K CB -0.416 32.090 32.500 0.009 0.000 0.894 173 K HN 0.610 nan 8.250 nan 0.000 0.497 174 Y N -1.670 118.585 120.300 -0.075 0.000 2.689 174 Y HA 0.074 4.624 4.550 -0.000 0.000 0.265 174 Y C 1.301 177.120 175.900 -0.136 0.000 1.175 174 Y CA -0.302 57.748 58.100 -0.083 0.000 1.120 174 Y CB 0.620 39.035 38.460 -0.076 0.000 1.356 174 Y HN -0.097 nan 8.280 nan 0.000 0.505 175 V N 3.679 123.325 119.914 -0.446 0.000 2.255 175 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 175 V C 1.216 177.047 176.094 -0.438 0.000 1.051 175 V CA 1.770 63.778 62.300 -0.487 0.000 1.018 175 V CB -0.893 30.771 31.823 -0.265 0.000 0.641 175 V HN 0.409 nan 8.190 nan 0.000 0.445 176 I N 1.140 121.558 120.570 -0.253 0.000 3.352 176 I HA -0.056 4.114 4.170 -0.000 0.000 0.344 176 I C 1.092 176.918 176.117 -0.486 0.000 1.229 176 I CA 0.533 61.697 61.300 -0.227 0.000 1.458 176 I CB -0.995 36.969 38.000 -0.060 0.000 1.321 176 I HN 0.226 nan 8.210 nan 0.000 0.494 177 G N 4.921 113.039 108.800 -1.137 0.000 2.388 177 G HA2 0.021 3.980 3.960 -0.000 0.000 0.289 177 G HA3 0.021 3.980 3.960 -0.000 0.000 0.289 177 G C 1.088 175.814 174.900 -0.290 0.000 0.791 177 G CA 0.237 44.649 45.100 -1.148 0.000 1.619 177 G HN 0.990 nan 8.290 nan 0.000 0.375 178 T N -0.802 113.643 114.554 -0.182 0.000 3.129 178 T HA 0.228 4.578 4.350 -0.000 0.000 0.251 178 T C 0.879 175.600 174.700 0.035 0.000 1.117 178 T CA 0.040 62.133 62.100 -0.013 0.000 1.034 178 T CB 0.556 69.482 68.868 0.096 0.000 0.968 178 T HN 0.535 nan 8.240 nan 0.000 0.526 179 R N 0.360 120.871 120.500 0.019 0.000 2.644 179 R HA 0.264 4.604 4.340 -0.000 0.000 0.257 179 R C -1.766 174.603 176.300 0.114 0.000 1.082 179 R CA -0.518 55.623 56.100 0.068 0.000 0.927 179 R CB 1.327 31.668 30.300 0.069 0.000 1.258 179 R HN 0.005 nan 8.270 nan 0.000 0.459 180 E N 3.119 123.368 120.200 0.081 0.000 2.313 180 E HA 0.290 4.639 4.350 -0.000 0.000 0.272 180 E C -2.318 174.274 176.600 -0.012 0.000 1.038 180 E CA -2.086 54.334 56.400 0.032 0.000 0.863 180 E CB 0.955 30.667 29.700 0.019 0.000 1.060 180 E HN 0.373 nan 8.360 nan 0.000 0.402 181 P HA -0.065 nan 4.420 nan 0.000 0.261 181 P C -0.299 176.981 177.300 -0.034 0.000 1.183 181 P CA 0.269 63.331 63.100 -0.064 0.000 0.761 181 P CB 0.330 31.972 31.700 -0.096 0.000 0.785 182 D N 4.114 124.503 120.400 -0.019 0.000 2.461 182 D HA -0.031 4.609 4.640 -0.000 0.000 0.231 182 D C -1.987 174.302 176.300 -0.019 0.000 1.208 182 D CA -0.134 53.860 54.000 -0.011 0.000 0.879 182 D CB -0.400 40.397 40.800 -0.005 0.000 1.220 182 D HN 0.241 nan 8.370 nan 0.000 0.480 183 P HA 0.190 nan 4.420 nan 0.000 0.287 183 P C -0.766 176.522 177.300 -0.020 0.000 1.281 183 P CA -0.547 62.542 63.100 -0.019 0.000 0.781 183 P CB 0.480 32.172 31.700 -0.013 0.000 0.903 184 L N 4.447 125.655 121.223 -0.026 0.000 2.559 184 L HA 0.196 4.535 4.340 -0.000 0.000 0.282 184 L C -1.805 175.051 176.870 -0.022 0.000 1.232 184 L CA -1.239 53.585 54.840 -0.026 0.000 0.885 184 L CB -1.491 40.549 42.059 -0.033 0.000 1.131 184 L HN 0.302 nan 8.230 nan 0.000 0.498 185 P HA -0.009 nan 4.420 nan 0.000 0.267 185 P C 0.892 178.180 177.300 -0.019 0.000 1.201 185 P CA -0.356 62.733 63.100 -0.019 0.000 0.775 185 P CB 0.502 32.190 31.700 -0.021 0.000 0.854 186 V N -0.240 119.664 119.914 -0.016 0.000 3.330 186 V HA -0.079 4.041 4.120 -0.000 0.000 0.273 186 V C 1.993 178.076 176.094 -0.018 0.000 1.179 186 V CA 1.583 63.873 62.300 -0.016 0.000 1.174 186 V CB -1.868 29.948 31.823 -0.013 0.000 0.794 186 V HN 0.696 nan 8.190 nan 0.000 0.527 187 G N 0.506 109.293 108.800 -0.020 0.000 2.679 187 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.217 187 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.217 187 G C 0.800 175.687 174.900 -0.022 0.000 1.267 187 G CA 1.792 46.879 45.100 -0.022 0.000 0.799 187 G HN 1.528 nan 8.290 nan 0.000 0.606 188 S N -0.523 115.162 115.700 -0.025 0.000 3.956 188 S HA -0.179 4.290 4.470 -0.000 0.000 0.543 188 S C -0.100 174.485 174.600 -0.024 0.000 0.751 188 S CA 0.855 59.040 58.200 -0.025 0.000 1.360 188 S CB -1.801 61.386 63.200 -0.022 0.000 0.824 188 S HN 0.734 nan 8.310 nan 0.000 0.719 189 E N 2.077 122.261 120.200 -0.026 0.000 2.498 189 E HA 0.096 4.446 4.350 -0.000 0.000 0.252 189 E C 1.186 177.773 176.600 -0.022 0.000 1.025 189 E CA -0.170 56.216 56.400 -0.023 0.000 0.938 189 E CB 0.434 30.120 29.700 -0.024 0.000 0.947 189 E HN 0.514 nan 8.360 nan 0.000 0.478 190 R N 4.393 124.882 120.500 -0.018 0.000 2.150 190 R HA -0.069 4.271 4.340 -0.000 0.000 0.086 190 R C -1.310 174.981 176.300 -0.016 0.000 0.484 190 R CA 0.388 56.478 56.100 -0.017 0.000 1.925 190 R CB -0.746 29.546 30.300 -0.014 0.000 0.464 190 R HN 0.508 nan 8.270 nan 0.000 0.707 191 P HA -0.205 nan 4.420 nan 0.000 0.222 191 P C -0.080 177.217 177.300 -0.006 0.000 1.143 191 P CA 1.683 64.778 63.100 -0.009 0.000 0.803 191 P CB -0.600 31.097 31.700 -0.006 0.000 0.746 192 G N -0.580 108.215 108.800 -0.008 0.000 2.389 192 G HA2 0.439 4.399 3.960 -0.000 0.000 0.317 192 G HA3 0.439 4.399 3.960 -0.000 0.000 0.317 192 G C -0.181 174.709 174.900 -0.016 0.000 1.137 192 G CA -0.622 44.478 45.100 -0.001 0.000 0.870 192 G HN -0.121 nan 8.290 nan 0.000 0.496 193 I N 1.736 122.301 120.570 -0.009 0.000 2.270 193 I HA 0.100 4.270 4.170 -0.000 0.000 0.294 193 I C 2.020 178.071 176.117 -0.109 0.000 1.164 193 I CA -0.359 60.889 61.300 -0.086 0.000 1.680 193 I CB -0.080 37.838 38.000 -0.137 0.000 1.494 193 I HN 0.654 nan 8.210 nan 0.000 0.767 194 R N 1.812 122.269 120.500 -0.072 0.000 2.316 194 R HA -0.070 4.269 4.340 -0.000 0.000 0.232 194 R C 0.369 176.619 176.300 -0.084 0.000 1.137 194 R CA 0.694 56.761 56.100 -0.055 0.000 1.012 194 R CB -0.765 29.507 30.300 -0.046 0.000 0.859 194 R HN 0.385 nan 8.270 nan 0.000 0.474 195 V N 1.995 121.811 119.914 -0.163 0.000 3.067 195 V HA 0.092 4.212 4.120 -0.000 0.000 0.388 195 V C -0.260 175.644 176.094 -0.317 0.000 1.330 195 V CA -0.210 61.973 62.300 -0.194 0.000 1.501 195 V CB -0.964 30.744 31.823 -0.191 0.000 1.382 195 V HN 0.251 nan 8.190 nan 0.000 0.532 196 H N 1.710 120.759 119.070 -0.034 0.000 2.673 196 H HA 0.443 4.999 4.556 -0.000 0.000 0.293 196 H C -0.587 174.715 175.328 -0.044 0.000 1.065 196 H CA -0.727 55.301 56.048 -0.034 0.000 1.236 196 H CB 1.127 30.866 29.762 -0.040 0.000 1.389 196 H HN 0.415 nan 8.280 nan 0.000 0.481 197 D N 2.878 123.336 120.400 0.097 0.000 2.210 197 D HA 0.322 4.961 4.640 -0.000 0.000 0.249 197 D C 0.657 176.998 176.300 0.067 0.000 1.062 197 D CA -0.335 53.691 54.000 0.042 0.000 0.891 197 D CB 2.423 43.225 40.800 0.003 0.000 1.186 197 D HN 0.308 nan 8.370 nan 0.000 0.432 198 V N -0.834 119.113 119.914 0.056 0.000 3.206 198 V HA 0.626 4.746 4.120 -0.000 0.000 0.305 198 V C -1.032 175.128 176.094 0.111 0.000 1.257 198 V CA -1.056 61.321 62.300 0.129 0.000 1.057 198 V CB 2.091 33.983 31.823 0.115 0.000 1.075 198 V HN 0.495 nan 8.190 nan 0.000 0.443 199 N N 1.047 119.836 118.700 0.148 0.000 2.240 199 N HA 0.717 5.456 4.740 -0.000 0.000 0.302 199 N C -1.789 173.776 175.510 0.092 0.000 1.106 199 N CA -0.825 52.269 53.050 0.073 0.000 0.778 199 N CB 2.075 40.560 38.487 -0.004 0.000 1.431 199 N HN 0.550 nan 8.380 nan 0.000 0.479 200 L N 2.779 124.013 121.223 0.019 0.000 2.294 200 L HA 0.502 4.842 4.340 -0.000 0.000 0.283 200 L C -0.672 176.112 176.870 -0.144 0.000 1.015 200 L CA -0.358 54.470 54.840 -0.020 0.000 0.831 200 L CB 0.809 42.846 42.059 -0.036 0.000 1.217 200 L HN 0.554 nan 8.230 nan 0.000 0.420 201 I N 2.914 123.392 120.570 -0.154 0.000 2.307 201 I HA 0.467 4.637 4.170 -0.000 0.000 0.289 201 I C 1.024 177.019 176.117 -0.203 0.000 1.021 201 I CA 0.155 61.340 61.300 -0.192 0.000 1.224 201 I CB 1.465 39.355 38.000 -0.184 0.000 1.376 201 I HN 0.839 nan 8.210 nan 0.000 0.470 202 G N 3.821 112.430 108.800 -0.318 0.000 2.179 202 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 202 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 202 G C 0.122 174.789 174.900 -0.390 0.000 0.990 202 G CA -0.606 44.316 45.100 -0.296 0.000 0.646 202 G HN 0.493 nan 8.290 nan 0.000 0.517 203 E N 0.312 120.252 120.200 -0.432 0.000 2.223 203 E HA 0.549 4.898 4.350 -0.000 0.000 0.282 203 E C -0.053 176.229 176.600 -0.529 0.000 1.046 203 E CA -0.802 55.387 56.400 -0.352 0.000 0.857 203 E CB 0.243 29.688 29.700 -0.424 0.000 1.055 203 E HN 0.374 nan 8.360 nan 0.000 0.409 204 Y N 2.829 123.070 120.300 -0.099 0.000 2.607 204 Y HA 0.104 4.654 4.550 -0.001 0.000 0.266 204 Y C 0.857 176.706 175.900 -0.084 0.000 1.178 204 Y CA -0.290 57.754 58.100 -0.094 0.000 1.226 204 Y CB -0.224 38.203 38.460 -0.054 0.000 1.144 204 Y HN 0.544 nan 8.280 nan 0.000 0.528 205 N N 1.841 120.547 118.700 0.010 0.000 2.702 205 N HA -0.227 4.513 4.740 -0.000 0.000 0.255 205 N C -0.641 174.888 175.510 0.031 0.000 0.983 205 N CA 0.499 53.590 53.050 0.068 0.000 0.768 205 N CB -1.161 37.383 38.487 0.095 0.000 0.918 205 N HN 0.492 nan 8.380 nan 0.000 0.540 206 I N -2.962 117.641 120.570 0.055 0.000 2.441 206 I HA 0.449 4.618 4.170 -0.000 0.000 0.287 206 I C 1.460 177.536 176.117 -0.068 0.000 1.049 206 I CA -0.214 61.090 61.300 0.005 0.000 1.381 206 I CB 0.878 38.908 38.000 0.050 0.000 1.409 206 I HN 0.289 nan 8.210 nan 0.000 0.523 207 A N 4.482 127.215 122.820 -0.146 0.000 2.887 207 A HA -0.141 4.179 4.320 -0.000 0.000 0.257 207 A C 1.571 178.982 177.584 -0.287 0.000 1.372 207 A CA 1.069 52.966 52.037 -0.233 0.000 0.879 207 A CB -2.165 16.680 19.000 -0.259 0.000 1.082 207 A HN 2.338 nan 8.150 nan 0.000 0.703 208 G N -0.928 107.691 108.800 -0.301 0.000 2.186 208 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.266 208 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.266 208 G C 0.841 175.569 174.900 -0.288 0.000 0.982 208 G CA 1.670 46.480 45.100 -0.483 0.000 0.670 208 G HN 2.080 nan 8.290 nan 0.000 0.533 209 E N -0.524 119.600 120.200 -0.127 0.000 2.169 209 E HA -0.265 4.085 4.350 -0.000 0.000 0.202 209 E C 1.946 178.596 176.600 0.084 0.000 1.016 209 E CA 1.508 57.899 56.400 -0.016 0.000 0.817 209 E CB -0.353 29.400 29.700 0.090 0.000 0.736 209 E HN 0.755 nan 8.360 nan 0.000 0.462 210 F N 0.098 120.037 119.950 -0.018 0.000 2.161 210 F HA -0.191 4.335 4.527 -0.001 0.000 0.300 210 F C 1.397 177.259 175.800 0.103 0.000 1.089 210 F CA 1.144 59.145 58.000 0.002 0.000 1.282 210 F CB -0.147 38.860 39.000 0.012 0.000 1.010 210 F HN 0.099 nan 8.300 nan 0.000 0.485 211 W N 0.262 121.453 121.300 -0.182 0.000 2.337 211 W HA -0.233 4.427 4.660 -0.001 0.000 0.272 211 W C 2.318 178.690 176.519 -0.244 0.000 1.203 211 W CA 1.295 58.489 57.345 -0.251 0.000 1.165 211 W CB -1.297 28.041 29.460 -0.203 0.000 1.133 211 W HN 0.219 nan 8.180 nan 0.000 0.571 212 H N -1.941 117.140 119.070 0.018 0.000 2.448 212 H HA 0.048 4.603 4.556 -0.000 0.000 0.292 212 H C 2.199 177.433 175.328 -0.156 0.000 1.035 212 H CA 1.522 57.550 56.048 -0.034 0.000 1.349 212 H CB -0.518 29.247 29.762 0.005 0.000 1.425 212 H HN -0.014 nan 8.280 nan 0.000 0.539 213 V N 0.709 120.486 119.914 -0.228 0.000 2.725 213 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 213 V C 2.484 178.269 176.094 -0.514 0.000 1.058 213 V CA 0.647 62.686 62.300 -0.436 0.000 1.080 213 V CB -0.447 30.911 31.823 -0.775 0.000 0.713 213 V HN 0.165 nan 8.190 nan 0.000 0.465 214 L N 1.502 122.266 121.223 -0.765 0.000 2.012 214 L HA -0.043 4.296 4.340 -0.000 0.000 0.210 214 L C -0.177 176.511 176.870 -0.303 0.000 1.073 214 L CA 2.488 56.941 54.840 -0.645 0.000 0.748 214 L CB -1.773 39.865 42.059 -0.701 0.000 0.891 214 L HN 0.256 nan 8.230 nan 0.000 0.431 215 P HA -0.153 nan 4.420 nan 0.000 0.216 215 P C 1.885 179.140 177.300 -0.077 0.000 1.150 215 P CA 1.069 64.094 63.100 -0.125 0.000 0.837 215 P CB -0.035 31.619 31.700 -0.077 0.000 0.786 216 L N -1.178 120.012 121.223 -0.056 0.000 1.994 216 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 216 L C 2.513 179.379 176.870 -0.008 0.000 1.071 216 L CA 1.713 56.561 54.840 0.014 0.000 0.745 216 L CB -2.024 40.095 42.059 0.101 0.000 0.892 216 L HN -0.017 nan 8.230 nan 0.000 0.431 217 L N -0.600 120.593 121.223 -0.049 0.000 1.971 217 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 217 L C 2.336 179.164 176.870 -0.069 0.000 1.072 217 L CA 1.642 56.444 54.840 -0.065 0.000 0.758 217 L CB -0.928 41.081 42.059 -0.083 0.000 0.889 217 L HN 0.237 nan 8.230 nan 0.000 0.433 218 D N -0.211 120.141 120.400 -0.080 0.000 2.149 218 D HA -0.242 4.397 4.640 -0.000 0.000 0.194 218 D C 2.107 178.380 176.300 -0.046 0.000 1.001 218 D CA 1.388 55.348 54.000 -0.067 0.000 0.849 218 D CB -0.079 40.672 40.800 -0.082 0.000 0.939 218 D HN 0.394 nan 8.370 nan 0.000 0.449 219 E N -0.290 119.888 120.200 -0.037 0.000 2.077 219 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 219 E C 1.497 178.089 176.600 -0.012 0.000 0.989 219 E CA 0.538 56.926 56.400 -0.021 0.000 0.800 219 E CB 0.077 29.771 29.700 -0.010 0.000 0.746 219 E HN 0.100 nan 8.360 nan 0.000 0.452 220 L N 0.218 121.434 121.223 -0.011 0.000 2.622 220 L HA 0.088 4.427 4.340 -0.000 0.000 0.233 220 L C 1.503 178.369 176.870 -0.006 0.000 1.156 220 L CA 1.486 56.322 54.840 -0.006 0.000 0.866 220 L CB -0.945 41.108 42.059 -0.010 0.000 0.980 220 L HN 0.401 nan 8.230 nan 0.000 0.448 221 G N 0.221 109.011 108.800 -0.016 0.000 2.198 221 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.257 221 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.257 221 G C 0.183 175.082 174.900 -0.001 0.000 1.042 221 G CA -0.044 45.052 45.100 -0.006 0.000 0.791 221 G HN 0.298 nan 8.290 nan 0.000 0.502 222 L N 0.424 121.619 121.223 -0.048 0.000 2.262 222 L HA 0.443 4.783 4.340 -0.000 0.000 0.288 222 L C 1.049 177.879 176.870 -0.068 0.000 1.035 222 L CA -0.839 53.949 54.840 -0.086 0.000 0.820 222 L CB 1.303 43.209 42.059 -0.254 0.000 1.204 222 L HN 0.265 nan 8.230 nan 0.000 0.424 223 R N 2.960 123.441 120.500 -0.033 0.000 2.267 223 R HA 0.360 4.700 4.340 -0.000 0.000 0.319 223 R C -0.950 175.344 176.300 -0.010 0.000 1.067 223 R CA -0.490 55.596 56.100 -0.023 0.000 0.936 223 R CB 1.120 31.408 30.300 -0.019 0.000 1.006 223 R HN 0.376 nan 8.270 nan 0.000 0.452 224 V N 7.654 127.576 119.914 0.012 0.000 2.408 224 V HA 0.044 4.163 4.120 -0.000 0.000 0.267 224 V C 1.523 177.630 176.094 0.021 0.000 1.047 224 V CA -0.155 62.170 62.300 0.043 0.000 0.937 224 V CB 1.280 33.168 31.823 0.108 0.000 0.999 224 V HN 0.890 nan 8.190 nan 0.000 0.472 225 L N 3.515 124.740 121.223 0.004 0.000 2.056 225 L HA 0.015 4.354 4.340 -0.000 0.000 0.207 225 L C 0.968 177.825 176.870 -0.023 0.000 1.078 225 L CA 1.303 56.131 54.840 -0.021 0.000 0.749 225 L CB 0.044 42.076 42.059 -0.045 0.000 0.901 225 L HN 0.707 nan 8.230 nan 0.000 0.433 226 C N -0.764 118.520 119.300 -0.026 0.000 2.931 226 C HA 0.357 4.817 4.460 -0.000 0.000 0.370 226 C C 0.020 174.965 174.990 -0.076 0.000 1.071 226 C CA -0.664 58.326 59.018 -0.046 0.000 1.266 226 C CB 1.375 29.074 27.740 -0.069 0.000 1.691 226 C HN 0.141 nan 8.230 nan 0.000 0.511 227 T N 6.036 120.518 114.554 -0.120 0.000 2.794 227 T HA 0.238 4.588 4.350 -0.000 0.000 0.304 227 T C 0.088 174.625 174.700 -0.271 0.000 0.973 227 T CA -0.051 61.887 62.100 -0.269 0.000 0.972 227 T CB 0.322 68.898 68.868 -0.486 0.000 0.952 227 T HN 0.609 nan 8.240 nan 0.000 0.509 228 L N 4.621 125.684 121.223 -0.267 0.000 2.652 228 L HA 0.345 4.685 4.340 -0.000 0.000 0.284 228 L C 0.792 177.436 176.870 -0.375 0.000 1.204 228 L CA 0.499 55.194 54.840 -0.243 0.000 1.105 228 L CB -1.730 40.206 42.059 -0.204 0.000 1.393 228 L HN 0.883 nan 8.230 nan 0.000 0.452 229 A N 3.192 125.872 122.820 -0.233 0.000 3.134 229 A HA 0.210 4.529 4.320 -0.000 0.000 0.275 229 A C 0.488 177.935 177.584 -0.229 0.000 1.378 229 A CA 0.391 52.334 52.037 -0.157 0.000 0.741 229 A CB -2.121 16.871 19.000 -0.013 0.000 1.042 229 A HN 1.537 nan 8.150 nan 0.000 0.471 230 G N 0.023 108.701 108.800 -0.203 0.000 2.378 230 G HA2 0.626 4.586 3.960 -0.000 0.000 0.291 230 G HA3 0.626 4.586 3.960 -0.000 0.000 0.291 230 G C -0.169 174.682 174.900 -0.083 0.000 1.421 230 G CA 0.887 45.876 45.100 -0.186 0.000 1.154 230 G HN 1.581 nan 8.290 nan 0.000 0.590 231 D N -0.206 120.189 120.400 -0.008 0.000 2.911 231 D HA -0.148 4.492 4.640 -0.000 0.000 0.227 231 D C 0.915 177.247 176.300 0.053 0.000 1.164 231 D CA 1.575 55.618 54.000 0.073 0.000 0.782 231 D CB -0.960 39.962 40.800 0.202 0.000 1.094 231 D HN 1.053 nan 8.370 nan 0.000 0.425 232 A N 0.008 122.832 122.820 0.007 0.000 2.286 232 A HA 0.753 5.073 4.320 -0.000 0.000 0.286 232 A C 0.632 178.256 177.584 0.066 0.000 1.097 232 A CA -0.313 51.738 52.037 0.024 0.000 0.821 232 A CB 0.863 19.861 19.000 -0.002 0.000 1.076 232 A HN 0.208 nan 8.150 nan 0.000 0.490 233 R N -0.340 120.214 120.500 0.089 0.000 2.892 233 R HA 0.263 4.602 4.340 -0.000 0.000 0.265 233 R C 0.341 176.758 176.300 0.196 0.000 1.025 233 R CA -0.609 55.570 56.100 0.132 0.000 0.982 233 R CB 0.468 30.841 30.300 0.121 0.000 1.185 233 R HN 0.884 nan 8.270 nan 0.000 0.484 234 Y N 2.865 123.226 120.300 0.102 0.000 2.081 234 Y HA -0.281 4.269 4.550 -0.000 0.000 0.280 234 Y C 2.350 178.434 175.900 0.306 0.000 1.163 234 Y CA 2.347 60.569 58.100 0.203 0.000 1.135 234 Y CB 0.092 38.577 38.460 0.041 0.000 0.970 234 Y HN 0.570 nan 8.280 nan 0.000 0.498 235 R N 0.426 121.101 120.500 0.291 0.000 2.341 235 R HA -0.148 4.192 4.340 -0.000 0.000 0.213 235 R C 1.505 177.830 176.300 0.042 0.000 1.082 235 R CA 1.723 57.924 56.100 0.168 0.000 1.017 235 R CB -0.529 29.878 30.300 0.179 0.000 0.860 235 R HN 0.506 nan 8.270 nan 0.000 0.473 236 E N 0.533 120.752 120.200 0.031 0.000 2.190 236 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 236 E C 1.742 178.287 176.600 -0.091 0.000 0.978 236 E CA 0.605 56.997 56.400 -0.013 0.000 0.839 236 E CB 0.417 30.124 29.700 0.011 0.000 0.787 236 E HN 0.198 nan 8.360 nan 0.000 0.473 237 V N 1.360 121.187 119.914 -0.145 0.000 2.346 237 V HA -0.233 3.886 4.120 -0.000 0.000 0.244 237 V C 2.119 177.889 176.094 -0.541 0.000 1.037 237 V CA 1.365 63.488 62.300 -0.295 0.000 1.029 237 V CB -0.647 31.037 31.823 -0.231 0.000 0.663 237 V HN 0.233 nan 8.190 nan 0.000 0.454 238 Q N 0.953 120.288 119.800 -0.775 0.000 2.231 238 Q HA -0.314 4.026 4.340 -0.000 0.000 0.217 238 Q C 1.881 177.733 176.000 -0.247 0.000 1.013 238 Q CA 2.335 57.771 55.803 -0.613 0.000 0.917 238 Q CB -0.815 27.782 28.738 -0.234 0.000 0.968 238 Q HN 0.788 nan 8.270 nan 0.000 0.414 239 T N -2.921 111.565 114.554 -0.113 0.000 3.312 239 T HA 0.296 4.646 4.350 -0.000 0.000 0.251 239 T C 1.152 175.835 174.700 -0.028 0.000 1.012 239 T CA -0.163 61.947 62.100 0.017 0.000 0.925 239 T CB -0.008 68.831 68.868 -0.049 0.000 1.049 239 T HN 0.130 nan 8.240 nan 0.000 0.583 240 M N 1.434 121.049 119.600 0.026 0.000 2.506 240 M HA 0.037 4.516 4.480 -0.000 0.000 0.260 240 M C 1.950 178.183 176.300 -0.112 0.000 1.104 240 M CA 0.770 56.026 55.300 -0.074 0.000 1.112 240 M CB -0.064 32.458 32.600 -0.130 0.000 1.401 240 M HN 0.523 nan 8.290 nan 0.000 0.473 241 H N -1.093 117.713 119.070 -0.439 0.000 2.547 241 H HA 0.111 4.666 4.556 -0.000 0.000 0.272 241 H C 1.241 176.331 175.328 -0.396 0.000 0.989 241 H CA 0.456 56.065 56.048 -0.731 0.000 1.214 241 H CB -0.501 28.389 29.762 -1.454 0.000 1.389 241 H HN 0.309 nan 8.280 nan 0.000 0.577 242 R N 0.884 121.027 120.500 -0.594 0.000 2.312 242 R HA 0.350 4.690 4.340 -0.000 0.000 0.205 242 R C 0.831 177.031 176.300 -0.166 0.000 0.904 242 R CA 0.381 56.252 56.100 -0.382 0.000 1.052 242 R CB 0.248 30.282 30.300 -0.443 0.000 1.014 242 R HN 0.251 nan 8.270 nan 0.000 0.503 243 A N 1.650 124.395 122.820 -0.124 0.000 2.577 243 A HA -0.109 4.210 4.320 -0.000 0.000 0.233 243 A C 0.836 178.437 177.584 0.028 0.000 1.076 243 A CA 0.431 52.455 52.037 -0.022 0.000 0.767 243 A CB 0.362 19.364 19.000 0.005 0.000 1.017 243 A HN 0.302 nan 8.150 nan 0.000 0.511 244 E N -0.538 119.712 120.200 0.084 0.000 2.244 244 E HA 0.223 4.573 4.350 -0.000 0.000 0.196 244 E C -0.724 175.970 176.600 0.156 0.000 0.939 244 E CA 0.442 56.912 56.400 0.116 0.000 0.884 244 E CB 0.646 30.435 29.700 0.148 0.000 0.850 244 E HN 0.382 nan 8.360 nan 0.000 0.481 245 V N 1.862 121.900 119.914 0.207 0.000 2.569 245 V HA 0.218 4.338 4.120 -0.000 0.000 0.301 245 V C -0.897 175.365 176.094 0.280 0.000 1.044 245 V CA -0.826 61.642 62.300 0.280 0.000 0.874 245 V CB 1.626 33.695 31.823 0.409 0.000 1.002 245 V HN 0.135 nan 8.190 nan 0.000 0.424 246 N N 3.996 122.814 118.700 0.197 0.000 2.515 246 N HA 0.702 5.442 4.740 -0.000 0.000 0.279 246 N C -0.567 174.891 175.510 -0.087 0.000 1.164 246 N CA -0.549 52.551 53.050 0.084 0.000 0.982 246 N CB 1.425 39.937 38.487 0.043 0.000 1.170 246 N HN 0.664 nan 8.380 nan 0.000 0.474 247 M N 2.571 122.005 119.600 -0.277 0.000 2.213 247 M HA 0.341 4.821 4.480 -0.000 0.000 0.286 247 M C -1.658 174.373 176.300 -0.449 0.000 1.008 247 M CA -0.725 54.114 55.300 -0.769 0.000 0.937 247 M CB 1.341 33.300 32.600 -1.068 0.000 1.600 247 M HN 0.335 nan 8.290 nan 0.000 0.450 248 M N 5.164 124.529 119.600 -0.392 0.000 2.193 248 M HA 0.229 4.708 4.480 -0.000 0.000 0.342 248 M C -0.780 175.425 176.300 -0.158 0.000 1.413 248 M CA -0.236 54.930 55.300 -0.222 0.000 1.191 248 M CB 0.127 32.639 32.600 -0.147 0.000 1.633 248 M HN 0.459 nan 8.290 nan 0.000 0.458 249 V N 4.400 124.257 119.914 -0.095 0.000 2.338 249 V HA 0.095 4.214 4.120 -0.000 0.000 0.255 249 V C 1.190 177.321 176.094 0.061 0.000 1.082 249 V CA -0.203 62.097 62.300 -0.001 0.000 0.951 249 V CB -0.390 31.466 31.823 0.055 0.000 1.102 249 V HN 1.151 nan 8.190 nan 0.000 0.489 250 C N 2.838 122.183 119.300 0.075 0.000 5.885 250 C HA -0.270 4.190 4.460 -0.000 0.000 0.328 250 C C 1.722 176.761 174.990 0.081 0.000 2.433 250 C CA 1.054 60.142 59.018 0.117 0.000 2.197 250 C CB -1.828 26.035 27.740 0.205 0.000 3.236 250 C HN 0.786 nan 8.230 nan 0.000 0.260 251 S N 1.611 117.363 115.700 0.088 0.000 3.074 251 S HA 0.020 4.489 4.470 -0.000 0.000 0.359 251 S C 0.805 175.418 174.600 0.022 0.000 1.207 251 S CA 0.740 58.981 58.200 0.069 0.000 1.061 251 S CB 0.246 63.498 63.200 0.087 0.000 0.769 251 S HN 0.584 nan 8.310 nan 0.000 0.512 252 K N 2.043 122.457 120.400 0.024 0.000 2.360 252 K HA 0.180 4.500 4.320 -0.000 0.000 0.196 252 K C 2.026 178.625 176.600 -0.002 0.000 1.049 252 K CA 0.380 56.670 56.287 0.006 0.000 1.049 252 K CB 0.158 32.670 32.500 0.019 0.000 0.881 252 K HN 0.630 nan 8.250 nan 0.000 0.542 253 A N 1.018 123.846 122.820 0.013 0.000 2.076 253 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 253 A C 1.726 179.304 177.584 -0.009 0.000 1.160 253 A CA 1.288 53.331 52.037 0.011 0.000 0.653 253 A CB -0.253 18.763 19.000 0.026 0.000 0.801 253 A HN 0.188 nan 8.150 nan 0.000 0.455 254 M N -0.935 118.646 119.600 -0.031 0.000 2.496 254 M HA 0.261 4.741 4.480 -0.000 0.000 0.330 254 M C 0.833 177.045 176.300 -0.147 0.000 1.133 254 M CA -0.037 55.221 55.300 -0.070 0.000 0.964 254 M CB 0.165 32.729 32.600 -0.059 0.000 1.401 254 M HN 0.299 nan 8.290 nan 0.000 0.520 255 L N 1.224 122.363 121.223 -0.141 0.000 2.137 255 L HA -0.305 4.034 4.340 -0.000 0.000 0.213 255 L C 2.061 178.759 176.870 -0.287 0.000 1.085 255 L CA 2.212 56.916 54.840 -0.227 0.000 0.760 255 L CB -0.759 41.244 42.059 -0.093 0.000 0.893 255 L HN 0.606 nan 8.230 nan 0.000 0.434 256 N N -0.619 117.981 118.700 -0.167 0.000 2.364 256 N HA -0.180 4.559 4.740 -0.000 0.000 0.183 256 N C 1.668 177.075 175.510 -0.171 0.000 1.022 256 N CA 1.241 54.207 53.050 -0.139 0.000 0.883 256 N CB -0.098 38.346 38.487 -0.071 0.000 0.965 256 N HN 0.321 nan 8.380 nan 0.000 0.438 257 V N -1.939 117.851 119.914 -0.207 0.000 2.685 257 V HA 0.332 4.452 4.120 -0.000 0.000 0.244 257 V C 2.356 178.282 176.094 -0.281 0.000 1.054 257 V CA 0.909 63.097 62.300 -0.188 0.000 1.076 257 V CB -0.821 30.919 31.823 -0.138 0.000 0.725 257 V HN 0.338 nan 8.190 nan 0.000 0.467 258 A N 1.618 124.143 122.820 -0.492 0.000 1.908 258 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 258 A C 2.494 179.597 177.584 -0.802 0.000 1.181 258 A CA 2.405 53.977 52.037 -0.775 0.000 0.627 258 A CB -0.739 17.378 19.000 -1.471 0.000 0.818 258 A HN 0.758 nan 8.150 nan 0.000 0.445 259 R N -0.408 119.599 120.500 -0.821 0.000 2.073 259 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 259 R C 1.945 178.204 176.300 -0.068 0.000 1.120 259 R CA 1.695 57.583 56.100 -0.353 0.000 0.967 259 R CB -0.312 29.880 30.300 -0.180 0.000 0.862 259 R HN 0.416 nan 8.270 nan 0.000 0.436 260 K N 0.393 120.735 120.400 -0.096 0.000 2.155 260 K HA 0.026 4.346 4.320 -0.000 0.000 0.203 260 K C 2.085 178.704 176.600 0.031 0.000 1.052 260 K CA 0.708 56.979 56.287 -0.026 0.000 0.948 260 K CB 0.077 32.556 32.500 -0.035 0.000 0.728 260 K HN 0.168 nan 8.250 nan 0.000 0.448 261 L N 1.079 122.332 121.223 0.050 0.000 2.027 261 L HA -0.209 4.130 4.340 -0.000 0.000 0.206 261 L C 2.688 179.695 176.870 0.228 0.000 1.074 261 L CA 1.771 56.732 54.840 0.200 0.000 0.745 261 L CB -0.922 41.201 42.059 0.107 0.000 0.898 261 L HN 0.311 nan 8.230 nan 0.000 0.433 262 Q N 1.356 121.264 119.800 0.181 0.000 2.045 262 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 262 Q C 1.922 178.023 176.000 0.168 0.000 0.991 262 Q CA 2.623 58.576 55.803 0.249 0.000 0.851 262 Q CB -0.447 28.564 28.738 0.456 0.000 0.911 262 Q HN 0.637 nan 8.270 nan 0.000 0.418 263 E N -1.009 119.263 120.200 0.119 0.000 2.150 263 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 263 E C 1.448 178.034 176.600 -0.023 0.000 0.985 263 E CA 1.571 58.004 56.400 0.055 0.000 0.814 263 E CB -0.258 29.467 29.700 0.042 0.000 0.752 263 E HN 0.399 nan 8.360 nan 0.000 0.466 264 T N -0.718 113.783 114.554 -0.088 0.000 3.035 264 T HA 0.029 4.379 4.350 -0.000 0.000 0.259 264 T C 0.285 174.664 174.700 -0.535 0.000 1.078 264 T CA 0.740 62.627 62.100 -0.356 0.000 1.132 264 T CB -0.038 68.505 68.868 -0.540 0.000 0.900 264 T HN 0.317 nan 8.240 nan 0.000 0.480 265 Y N -0.534 119.798 120.300 0.053 0.000 2.563 265 Y HA 0.466 5.016 4.550 -0.000 0.000 0.250 265 Y C 1.700 177.637 175.900 0.062 0.000 1.126 265 Y CA -0.372 57.766 58.100 0.062 0.000 1.231 265 Y CB 0.613 39.123 38.460 0.083 0.000 1.288 265 Y HN 0.198 nan 8.280 nan 0.000 0.537 266 G N 0.522 109.425 108.800 0.172 0.000 2.159 266 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 266 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 266 G C 0.139 175.131 174.900 0.154 0.000 0.977 266 G CA 0.358 45.539 45.100 0.135 0.000 0.652 266 G HN 0.228 nan 8.290 nan 0.000 0.531 267 T N 4.138 118.809 114.554 0.195 0.000 2.738 267 T HA 0.477 4.827 4.350 -0.000 0.000 0.293 267 T C -1.504 173.334 174.700 0.229 0.000 0.913 267 T CA -0.295 61.918 62.100 0.187 0.000 1.103 267 T CB 1.813 70.783 68.868 0.171 0.000 0.880 267 T HN 0.301 nan 8.240 nan 0.000 0.526 268 P HA 0.361 nan 4.420 nan 0.000 0.274 268 P C -0.847 176.634 177.300 0.301 0.000 1.246 268 P CA -0.478 62.734 63.100 0.187 0.000 0.795 268 P CB 0.811 32.571 31.700 0.100 0.000 1.006 269 W N 1.904 123.243 121.300 0.065 0.000 2.988 269 W HA 0.709 5.369 4.660 -0.000 0.000 0.355 269 W C -2.335 174.241 176.519 0.095 0.000 1.233 269 W CA -1.028 56.329 57.345 0.021 0.000 1.176 269 W CB 0.527 29.949 29.460 -0.064 0.000 1.477 269 W HN 0.490 nan 8.180 nan 0.000 0.582 270 F N -0.562 119.504 119.950 0.194 0.000 2.745 270 F HA 0.762 5.288 4.527 -0.000 0.000 0.316 270 F C -1.269 174.625 175.800 0.157 0.000 1.155 270 F CA -1.615 56.385 58.000 0.001 0.000 0.937 270 F CB 1.363 40.282 39.000 -0.135 0.000 1.361 270 F HN 0.495 nan 8.300 nan 0.000 0.472 271 E N 0.551 120.897 120.200 0.243 0.000 2.199 271 E HA 0.728 5.078 4.350 -0.000 0.000 0.269 271 E C -0.636 176.066 176.600 0.170 0.000 0.899 271 E CA -1.249 55.208 56.400 0.095 0.000 0.772 271 E CB 2.348 32.105 29.700 0.094 0.000 1.155 271 E HN 1.083 nan 8.360 nan 0.000 0.408 272 G N 0.527 109.354 108.800 0.045 0.000 2.645 272 G HA2 0.502 4.461 3.960 -0.000 0.000 0.292 272 G HA3 0.502 4.461 3.960 -0.000 0.000 0.292 272 G C -1.335 173.519 174.900 -0.076 0.000 1.415 272 G CA -0.524 44.581 45.100 0.008 0.000 0.785 272 G HN 0.441 nan 8.290 nan 0.000 0.483 273 S N -1.523 114.108 115.700 -0.114 0.000 2.632 273 S HA 0.733 5.203 4.470 -0.000 0.000 0.289 273 S C -0.997 173.435 174.600 -0.279 0.000 1.115 273 S CA -0.618 57.549 58.200 -0.055 0.000 0.889 273 S CB 1.546 64.866 63.200 0.200 0.000 1.116 273 S HN 0.474 nan 8.310 nan 0.000 0.486 274 F N 1.427 121.294 119.950 -0.139 0.000 2.684 274 F HA 0.437 4.964 4.527 -0.000 0.000 0.298 274 F C -0.783 174.818 175.800 -0.332 0.000 1.120 274 F CA -0.570 57.301 58.000 -0.216 0.000 1.332 274 F CB 0.154 39.048 39.000 -0.177 0.000 0.986 274 F HN 0.450 nan 8.300 nan 0.000 0.524 275 Y N 0.590 120.985 120.300 0.159 0.000 2.342 275 Y HA 0.602 5.152 4.550 -0.001 0.000 0.338 275 Y C 0.716 176.647 175.900 0.052 0.000 0.965 275 Y CA -1.271 56.897 58.100 0.115 0.000 1.159 275 Y CB 1.006 39.534 38.460 0.114 0.000 1.157 275 Y HN 0.195 nan 8.280 nan 0.000 0.486 276 G N 1.669 110.564 108.800 0.158 0.000 2.663 276 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.686 276 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.686 276 G C 0.287 175.207 174.900 0.034 0.000 1.246 276 G CA -0.436 44.716 45.100 0.086 0.000 0.795 276 G HN 0.875 nan 8.290 nan 0.000 0.627 277 I N -1.346 119.265 120.570 0.069 0.000 2.252 277 I HA 0.044 4.214 4.170 -0.000 0.000 0.245 277 I C 2.407 178.588 176.117 0.107 0.000 1.102 277 I CA 2.659 64.036 61.300 0.128 0.000 1.385 277 I CB -1.084 37.032 38.000 0.194 0.000 1.064 277 I HN 0.576 nan 8.210 nan 0.000 0.414 278 T N 1.438 116.042 114.554 0.083 0.000 2.643 278 T HA -0.156 4.193 4.350 -0.000 0.000 0.264 278 T C 1.439 176.163 174.700 0.040 0.000 1.045 278 T CA 2.147 64.290 62.100 0.071 0.000 1.155 278 T CB -0.679 68.232 68.868 0.071 0.000 0.863 278 T HN 0.490 nan 8.240 nan 0.000 0.420 279 D N 1.105 121.521 120.400 0.028 0.000 2.117 279 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 279 D C 2.269 178.508 176.300 -0.102 0.000 0.987 279 D CA 1.222 55.210 54.000 -0.020 0.000 0.829 279 D CB -0.838 39.969 40.800 0.012 0.000 0.961 279 D HN 0.305 nan 8.370 nan 0.000 0.460 280 T N -0.133 114.354 114.554 -0.111 0.000 2.652 280 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 280 T C 2.156 176.835 174.700 -0.034 0.000 1.039 280 T CA 1.499 63.507 62.100 -0.154 0.000 1.153 280 T CB -0.484 68.126 68.868 -0.429 0.000 0.863 280 T HN 0.037 nan 8.240 nan 0.000 0.428 281 S N 0.712 116.447 115.700 0.057 0.000 2.370 281 S HA -0.160 4.309 4.470 -0.000 0.000 0.226 281 S C 2.174 176.807 174.600 0.056 0.000 1.033 281 S CA 1.170 59.466 58.200 0.160 0.000 1.011 281 S CB -0.315 63.000 63.200 0.191 0.000 0.852 281 S HN 0.481 nan 8.310 nan 0.000 0.457 282 Q N 0.269 120.065 119.800 -0.007 0.000 2.083 282 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 282 Q C 2.362 178.276 176.000 -0.143 0.000 0.969 282 Q CA 1.110 56.874 55.803 -0.065 0.000 0.838 282 Q CB -0.284 28.418 28.738 -0.060 0.000 0.900 282 Q HN 0.552 nan 8.270 nan 0.000 0.436 283 A N 1.097 123.822 122.820 -0.158 0.000 1.892 283 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 283 A C 2.042 179.569 177.584 -0.095 0.000 1.188 283 A CA 1.298 53.211 52.037 -0.208 0.000 0.631 283 A CB -0.796 17.936 19.000 -0.447 0.000 0.822 283 A HN 0.428 nan 8.150 nan 0.000 0.447 284 L N -1.840 119.441 121.223 0.096 0.000 2.141 284 L HA -0.134 4.205 4.340 -0.000 0.000 0.209 284 L C 2.830 179.765 176.870 0.109 0.000 1.094 284 L CA 1.389 56.381 54.840 0.253 0.000 0.763 284 L CB -0.458 41.756 42.059 0.259 0.000 0.908 284 L HN 0.357 nan 8.230 nan 0.000 0.437 285 R N 0.826 121.321 120.500 -0.009 0.000 2.073 285 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 285 R C 1.726 177.942 176.300 -0.140 0.000 1.134 285 R CA 1.988 58.057 56.100 -0.052 0.000 0.952 285 R CB -0.181 30.083 30.300 -0.060 0.000 0.850 285 R HN 0.537 nan 8.270 nan 0.000 0.433 286 D N -1.205 118.994 120.400 -0.335 0.000 2.349 286 D HA -0.090 4.550 4.640 -0.000 0.000 0.224 286 D C 1.193 177.140 176.300 -0.589 0.000 1.029 286 D CA 0.288 53.985 54.000 -0.505 0.000 0.879 286 D CB -0.176 40.235 40.800 -0.648 0.000 0.906 286 D HN 0.080 nan 8.370 nan 0.000 0.528 287 F N 1.771 121.459 119.950 -0.437 0.000 2.113 287 F HA 0.107 4.633 4.527 -0.001 0.000 0.297 287 F C 2.627 178.350 175.800 -0.128 0.000 1.103 287 F CA 0.783 58.692 58.000 -0.152 0.000 1.248 287 F CB -0.763 38.246 39.000 0.015 0.000 0.999 287 F HN 0.105 nan 8.300 nan 0.000 0.475 288 A N 0.642 123.512 122.820 0.084 0.000 1.902 288 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 288 A C 2.232 179.797 177.584 -0.031 0.000 1.181 288 A CA 1.876 53.919 52.037 0.009 0.000 0.623 288 A CB -0.706 18.295 19.000 0.002 0.000 0.818 288 A HN 0.489 nan 8.150 nan 0.000 0.443 289 R N -1.469 118.997 120.500 -0.058 0.000 2.300 289 R HA 0.249 4.589 4.340 -0.000 0.000 0.199 289 R C 1.412 177.681 176.300 -0.051 0.000 0.920 289 R CA 0.485 56.550 56.100 -0.059 0.000 1.046 289 R CB -0.283 29.973 30.300 -0.073 0.000 0.984 289 R HN 0.345 nan 8.270 nan 0.000 0.493 290 L N 1.564 122.763 121.223 -0.040 0.000 2.130 290 L HA 0.212 4.551 4.340 -0.000 0.000 0.200 290 L C 0.914 177.800 176.870 0.026 0.000 1.075 290 L CA 1.077 55.916 54.840 -0.001 0.000 0.768 290 L CB -0.004 42.082 42.059 0.044 0.000 0.933 290 L HN 0.324 nan 8.230 nan 0.000 0.451 291 L N -0.202 121.037 121.223 0.025 0.000 2.260 291 L HA 0.441 4.781 4.340 -0.000 0.000 0.289 291 L C -0.953 175.855 176.870 -0.102 0.000 1.057 291 L CA -0.622 54.197 54.840 -0.035 0.000 0.811 291 L CB 0.815 42.816 42.059 -0.097 0.000 1.184 291 L HN 0.176 nan 8.230 nan 0.000 0.429 292 D N 3.226 123.605 120.400 -0.036 0.000 2.329 292 D HA 0.455 5.095 4.640 -0.000 0.000 0.232 292 D C -1.172 175.133 176.300 0.008 0.000 1.088 292 D CA -0.140 53.849 54.000 -0.018 0.000 0.835 292 D CB 1.234 42.035 40.800 0.002 0.000 1.078 292 D HN 0.724 nan 8.370 nan 0.000 0.495 293 D N 3.240 123.639 120.400 -0.002 0.000 2.927 293 D HA 0.261 4.901 4.640 -0.000 0.000 0.219 293 D C -2.351 173.960 176.300 0.019 0.000 1.248 293 D CA -1.937 52.085 54.000 0.037 0.000 0.861 293 D CB 2.454 43.307 40.800 0.087 0.000 1.677 293 D HN 0.134 nan 8.370 nan 0.000 0.511 294 P HA 0.162 nan 4.420 nan 0.000 0.234 294 P C 0.521 177.831 177.300 0.017 0.000 1.175 294 P CA 0.307 63.415 63.100 0.014 0.000 0.801 294 P CB 0.737 32.445 31.700 0.013 0.000 0.891 295 D N -0.452 119.964 120.400 0.027 0.000 2.137 295 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 295 D C 1.851 178.168 176.300 0.028 0.000 0.970 295 D CA 0.733 54.749 54.000 0.026 0.000 0.837 295 D CB -0.594 40.225 40.800 0.031 0.000 0.981 295 D HN -0.006 nan 8.370 nan 0.000 0.475 296 L N 1.255 122.501 121.223 0.037 0.000 2.012 296 L HA -0.158 4.181 4.340 -0.000 0.000 0.210 296 L C 2.166 179.042 176.870 0.010 0.000 1.073 296 L CA 1.848 56.701 54.840 0.023 0.000 0.748 296 L CB -1.105 40.951 42.059 -0.005 0.000 0.891 296 L HN -0.059 nan 8.230 nan 0.000 0.431 297 T N -0.059 114.497 114.554 0.005 0.000 2.708 297 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 297 T C 1.894 176.598 174.700 0.006 0.000 1.037 297 T CA 1.548 63.650 62.100 0.002 0.000 1.146 297 T CB -0.579 68.287 68.868 -0.003 0.000 0.865 297 T HN 0.546 nan 8.240 nan 0.000 0.435 298 A N 1.731 124.555 122.820 0.007 0.000 1.902 298 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 298 A C 2.376 179.965 177.584 0.008 0.000 1.181 298 A CA 1.440 53.481 52.037 0.006 0.000 0.623 298 A CB -0.475 18.529 19.000 0.006 0.000 0.818 298 A HN 0.427 nan 8.150 nan 0.000 0.443 299 R N -0.585 119.922 120.500 0.011 0.000 2.075 299 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 299 R C 2.490 178.799 176.300 0.016 0.000 1.126 299 R CA 1.868 57.974 56.100 0.011 0.000 0.963 299 R CB -0.880 29.427 30.300 0.013 0.000 0.858 299 R HN 0.763 nan 8.270 nan 0.000 0.435 300 T N -0.294 114.273 114.554 0.022 0.000 2.833 300 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 300 T C 1.581 176.301 174.700 0.034 0.000 1.054 300 T CA 0.980 63.103 62.100 0.037 0.000 1.135 300 T CB -0.062 68.834 68.868 0.047 0.000 0.869 300 T HN 0.097 nan 8.240 nan 0.000 0.466 301 E N 1.915 122.127 120.200 0.020 0.000 2.072 301 E HA 0.087 4.437 4.350 -0.000 0.000 0.191 301 E C 2.649 179.252 176.600 0.005 0.000 0.985 301 E CA 1.282 57.690 56.400 0.014 0.000 0.801 301 E CB -0.997 28.707 29.700 0.007 0.000 0.750 301 E HN 0.706 nan 8.360 nan 0.000 0.452 302 A N 1.544 124.365 122.820 0.002 0.000 1.883 302 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 302 A C 2.343 179.918 177.584 -0.015 0.000 1.186 302 A CA 1.282 53.315 52.037 -0.007 0.000 0.624 302 A CB -0.810 18.187 19.000 -0.004 0.000 0.822 302 A HN 0.249 nan 8.150 nan 0.000 0.444 303 L N -0.066 121.155 121.223 -0.004 0.000 1.961 303 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 303 L C 2.574 179.415 176.870 -0.049 0.000 1.072 303 L CA 2.161 56.995 54.840 -0.011 0.000 0.749 303 L CB -0.485 41.592 42.059 0.030 0.000 0.889 303 L HN 0.613 nan 8.230 nan 0.000 0.432 304 I N -0.958 119.608 120.570 -0.007 0.000 2.248 304 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 304 I C 2.487 178.549 176.117 -0.090 0.000 1.107 304 I CA 1.699 62.982 61.300 -0.028 0.000 1.373 304 I CB -1.304 36.735 38.000 0.066 0.000 1.055 304 I HN 0.196 nan 8.210 nan 0.000 0.418 305 A N 1.110 123.899 122.820 -0.051 0.000 1.859 305 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 305 A C 2.620 180.153 177.584 -0.086 0.000 1.209 305 A CA 2.585 54.591 52.037 -0.052 0.000 0.639 305 A CB -1.082 17.900 19.000 -0.031 0.000 0.835 305 A HN 0.537 nan 8.150 nan 0.000 0.450 306 R N -0.953 119.493 120.500 -0.090 0.000 2.094 306 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 306 R C 2.299 178.498 176.300 -0.169 0.000 1.137 306 R CA 2.149 58.188 56.100 -0.101 0.000 0.943 306 R CB -0.328 29.924 30.300 -0.081 0.000 0.850 306 R HN 0.636 nan 8.270 nan 0.000 0.433 307 E N 0.243 120.265 120.200 -0.296 0.000 2.051 307 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 307 E C 1.839 178.158 176.600 -0.468 0.000 0.991 307 E CA 1.480 57.567 56.400 -0.521 0.000 0.799 307 E CB 0.076 29.108 29.700 -1.113 0.000 0.748 307 E HN 0.341 nan 8.360 nan 0.000 0.449 308 E N 0.061 120.031 120.200 -0.384 0.000 2.070 308 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 308 E C 2.117 178.668 176.600 -0.082 0.000 1.004 308 E CA 1.049 57.359 56.400 -0.149 0.000 0.805 308 E CB -0.305 29.361 29.700 -0.058 0.000 0.744 308 E HN 0.316 nan 8.360 nan 0.000 0.451 309 A N 1.942 124.712 122.820 -0.084 0.000 1.873 309 A HA -0.300 4.019 4.320 -0.000 0.000 0.218 309 A C 2.120 179.680 177.584 -0.041 0.000 1.193 309 A CA 2.095 54.103 52.037 -0.049 0.000 0.629 309 A CB -0.553 18.419 19.000 -0.047 0.000 0.826 309 A HN 0.112 nan 8.150 nan 0.000 0.447 310 K N -0.598 119.761 120.400 -0.068 0.000 1.991 310 K HA -0.136 4.184 4.320 -0.000 0.000 0.212 310 K C 1.898 178.489 176.600 -0.015 0.000 1.049 310 K CA 2.031 58.292 56.287 -0.042 0.000 0.932 310 K CB -0.345 32.117 32.500 -0.063 0.000 0.717 310 K HN 0.329 nan 8.250 nan 0.000 0.441 311 V N 0.639 120.540 119.914 -0.022 0.000 2.358 311 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 311 V C 2.255 178.375 176.094 0.045 0.000 1.047 311 V CA 1.716 64.035 62.300 0.031 0.000 1.035 311 V CB -0.746 31.131 31.823 0.089 0.000 0.658 311 V HN 0.281 nan 8.190 nan 0.000 0.452 312 R N 1.034 121.555 120.500 0.036 0.000 2.096 312 R HA -0.151 4.188 4.340 -0.000 0.000 0.240 312 R C 2.535 178.866 176.300 0.051 0.000 1.139 312 R CA 1.745 57.872 56.100 0.045 0.000 0.952 312 R CB -0.876 29.444 30.300 0.033 0.000 0.854 312 R HN 0.540 nan 8.270 nan 0.000 0.436 313 A N 1.158 124.001 122.820 0.039 0.000 1.908 313 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 313 A C 2.249 179.878 177.584 0.075 0.000 1.181 313 A CA 1.817 53.881 52.037 0.046 0.000 0.627 313 A CB -0.676 18.341 19.000 0.030 0.000 0.818 313 A HN 0.427 nan 8.150 nan 0.000 0.445 314 A N -2.094 120.775 122.820 0.081 0.000 2.235 314 A HA 0.361 4.681 4.320 -0.000 0.000 0.208 314 A C 1.626 179.327 177.584 0.194 0.000 1.172 314 A CA 0.917 53.028 52.037 0.124 0.000 0.786 314 A CB -0.189 18.866 19.000 0.091 0.000 0.804 314 A HN 0.380 nan 8.150 nan 0.000 0.479 315 L N -1.148 120.172 121.223 0.162 0.000 2.672 315 L HA 0.139 4.479 4.340 -0.000 0.000 0.236 315 L C 2.139 179.151 176.870 0.236 0.000 1.092 315 L CA 0.910 55.867 54.840 0.195 0.000 0.887 315 L CB -0.047 42.065 42.059 0.087 0.000 1.168 315 L HN 0.499 nan 8.230 nan 0.000 0.502 316 E N 1.227 121.523 120.200 0.159 0.000 2.070 316 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 316 E C -0.802 175.862 176.600 0.107 0.000 1.004 316 E CA 1.763 58.230 56.400 0.112 0.000 0.805 316 E CB -1.041 28.701 29.700 0.069 0.000 0.744 316 E HN 0.267 nan 8.360 nan 0.000 0.451 317 P HA -0.110 nan 4.420 nan 0.000 0.221 317 P C 0.587 177.827 177.300 -0.100 0.000 1.145 317 P CA 1.301 64.374 63.100 -0.044 0.000 0.795 317 P CB -0.402 31.223 31.700 -0.125 0.000 0.775 318 W N -0.868 120.437 121.300 0.007 0.000 2.942 318 W HA 0.199 4.858 4.660 -0.001 0.000 0.263 318 W C 2.248 178.767 176.519 0.000 0.000 1.296 318 W CA -0.047 57.301 57.345 0.005 0.000 1.504 318 W CB -0.402 29.062 29.460 0.006 0.000 1.096 318 W HN -0.159 nan 8.180 nan 0.000 0.639 319 R N 0.491 121.104 120.500 0.188 0.000 2.096 319 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 319 R C 2.285 178.628 176.300 0.072 0.000 1.127 319 R CA 1.520 57.688 56.100 0.114 0.000 0.968 319 R CB -0.926 29.423 30.300 0.081 0.000 0.861 319 R HN 0.164 nan 8.270 nan 0.000 0.440 320 A N 1.623 124.470 122.820 0.045 0.000 1.940 320 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 320 A C 2.120 179.720 177.584 0.027 0.000 1.176 320 A CA 1.388 53.437 52.037 0.021 0.000 0.631 320 A CB -0.338 18.659 19.000 -0.006 0.000 0.814 320 A HN 0.280 nan 8.150 nan 0.000 0.446 321 R N -0.914 119.613 120.500 0.045 0.000 2.093 321 R HA 0.102 4.442 4.340 -0.000 0.000 0.224 321 R C 1.479 177.820 176.300 0.068 0.000 1.101 321 R CA 1.067 57.199 56.100 0.053 0.000 0.979 321 R CB -0.195 30.144 30.300 0.065 0.000 0.877 321 R HN 0.363 nan 8.270 nan 0.000 0.441 322 L N 0.413 121.687 121.223 0.085 0.000 2.470 322 L HA 0.135 4.474 4.340 -0.000 0.000 0.219 322 L C 0.736 177.621 176.870 0.026 0.000 1.071 322 L CA 0.329 55.202 54.840 0.055 0.000 0.850 322 L CB -0.640 41.455 42.059 0.059 0.000 1.040 322 L HN 0.112 nan 8.230 nan 0.000 0.475 323 E N 1.557 121.776 120.200 0.032 0.000 2.585 323 E HA 0.147 4.497 4.350 -0.000 0.000 0.252 323 E C 1.115 177.719 176.600 0.006 0.000 0.981 323 E CA 0.941 57.351 56.400 0.017 0.000 0.943 323 E CB 0.237 29.951 29.700 0.023 0.000 0.923 323 E HN 0.449 nan 8.360 nan 0.000 0.486 324 G N 4.093 112.891 108.800 -0.003 0.000 2.157 324 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 324 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 324 G C 0.075 174.968 174.900 -0.012 0.000 0.979 324 G CA 0.185 45.281 45.100 -0.006 0.000 0.650 324 G HN 0.406 nan 8.290 nan 0.000 0.529 325 K N 0.716 121.105 120.400 -0.018 0.000 2.144 325 K HA 0.466 4.786 4.320 -0.000 0.000 0.270 325 K C 0.744 177.320 176.600 -0.039 0.000 1.005 325 K CA -0.419 55.852 56.287 -0.028 0.000 0.932 325 K CB 0.768 33.249 32.500 -0.031 0.000 1.021 325 K HN 0.409 nan 8.250 nan 0.000 0.462 326 R N 1.110 121.586 120.500 -0.040 0.000 2.265 326 R HA 0.314 4.654 4.340 -0.000 0.000 0.319 326 R C -0.076 176.183 176.300 -0.067 0.000 1.006 326 R CA -0.827 55.247 56.100 -0.044 0.000 0.880 326 R CB 0.898 31.188 30.300 -0.017 0.000 1.077 326 R HN 0.392 nan 8.270 nan 0.000 0.454 327 V N 1.522 121.383 119.914 -0.088 0.000 2.448 327 V HA 0.422 4.541 4.120 -0.000 0.000 0.295 327 V C -0.263 175.759 176.094 -0.121 0.000 1.025 327 V CA -1.202 61.035 62.300 -0.106 0.000 0.859 327 V CB 1.398 33.145 31.823 -0.127 0.000 0.988 327 V HN 0.579 nan 8.190 nan 0.000 0.431 328 L N 5.261 126.421 121.223 -0.104 0.000 2.371 328 L HA 0.646 4.986 4.340 -0.000 0.000 0.272 328 L C -0.499 176.322 176.870 -0.081 0.000 1.124 328 L CA 0.106 54.875 54.840 -0.119 0.000 0.816 328 L CB 1.171 43.181 42.059 -0.081 0.000 1.129 328 L HN 0.849 nan 8.230 nan 0.000 0.448 329 L N 4.929 126.099 121.223 -0.089 0.000 2.385 329 L HA 0.475 4.815 4.340 -0.000 0.000 0.273 329 L C -1.712 175.170 176.870 0.021 0.000 0.990 329 L CA -0.508 54.299 54.840 -0.054 0.000 0.821 329 L CB 1.652 43.626 42.059 -0.141 0.000 1.279 329 L HN 0.653 nan 8.230 nan 0.000 0.412 330 Y N 2.554 122.825 120.300 -0.049 0.000 2.391 330 Y HA 0.550 5.100 4.550 -0.000 0.000 0.341 330 Y C -0.184 175.716 175.900 0.000 0.000 0.965 330 Y CA -0.706 57.384 58.100 -0.017 0.000 1.067 330 Y CB 1.949 40.412 38.460 0.005 0.000 1.199 330 Y HN 0.608 nan 8.280 nan 0.000 0.450 331 T N 1.091 115.539 114.554 -0.177 0.000 2.829 331 T HA 0.611 4.960 4.350 -0.000 0.000 0.282 331 T C 0.346 175.096 174.700 0.084 0.000 0.990 331 T CA -0.271 61.816 62.100 -0.023 0.000 1.028 331 T CB 1.327 70.148 68.868 -0.077 0.000 0.951 331 T HN 0.961 nan 8.240 nan 0.000 0.460 332 G N -0.165 108.740 108.800 0.175 0.000 4.552 332 G HA2 0.526 4.486 3.960 -0.000 0.000 0.281 332 G HA3 0.526 4.486 3.960 -0.000 0.000 0.281 332 G C 0.936 175.906 174.900 0.117 0.000 1.037 332 G CA -0.147 45.076 45.100 0.205 0.000 0.806 332 G HN 1.718 nan 8.290 nan 0.000 0.495 333 G N -0.383 108.466 108.800 0.081 0.000 2.268 333 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.240 333 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.240 333 G C 0.758 175.693 174.900 0.057 0.000 1.010 333 G CA 0.477 45.613 45.100 0.060 0.000 0.618 333 G HN 1.674 nan 8.290 nan 0.000 0.516 334 V N -0.269 119.686 119.914 0.069 0.000 2.540 334 V HA 0.489 4.608 4.120 -0.000 0.000 0.297 334 V C 0.770 176.900 176.094 0.060 0.000 1.024 334 V CA 0.061 62.398 62.300 0.061 0.000 1.105 334 V CB 0.616 32.478 31.823 0.066 0.000 0.938 334 V HN 0.400 nan 8.190 nan 0.000 0.482 335 K N 4.053 124.494 120.400 0.068 0.000 2.034 335 K HA 0.135 4.455 4.320 -0.000 0.000 0.225 335 K C 1.143 177.774 176.600 0.052 0.000 1.190 335 K CA 0.819 57.160 56.287 0.090 0.000 1.152 335 K CB -0.418 32.165 32.500 0.138 0.000 1.300 335 K HN 0.965 nan 8.250 nan 0.000 0.268 336 S N -0.641 115.092 115.700 0.054 0.000 2.517 336 S HA -0.036 4.433 4.470 -0.000 0.000 0.214 336 S C 1.362 175.962 174.600 -0.001 0.000 0.991 336 S CA -0.661 57.533 58.200 -0.010 0.000 0.906 336 S CB -0.198 62.992 63.200 -0.015 0.000 0.789 336 S HN 0.741 nan 8.310 nan 0.000 0.513 337 W N 3.504 124.782 121.300 -0.036 0.000 2.595 337 W HA -0.074 4.586 4.660 -0.001 0.000 0.257 337 W C 2.314 178.822 176.519 -0.018 0.000 1.267 337 W CA 1.234 58.562 57.345 -0.028 0.000 1.300 337 W CB 0.001 29.453 29.460 -0.013 0.000 1.120 337 W HN 0.471 nan 8.180 nan 0.000 0.618 338 S N -0.213 115.637 115.700 0.251 0.000 2.343 338 S HA -0.264 4.206 4.470 -0.000 0.000 0.219 338 S C 1.838 176.458 174.600 0.034 0.000 1.033 338 S CA 1.865 60.199 58.200 0.223 0.000 1.014 338 S CB -1.490 61.871 63.200 0.268 0.000 0.915 338 S HN 0.157 nan 8.310 nan 0.000 0.435 339 V N 1.718 121.516 119.914 -0.192 0.000 2.380 339 V HA -0.165 3.954 4.120 -0.000 0.000 0.251 339 V C 2.430 178.387 176.094 -0.229 0.000 1.063 339 V CA 1.593 63.742 62.300 -0.251 0.000 1.055 339 V CB -1.652 29.976 31.823 -0.326 0.000 0.657 339 V HN 0.394 nan 8.190 nan 0.000 0.455 340 V N 1.398 121.112 119.914 -0.332 0.000 2.282 340 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 340 V C 2.801 178.670 176.094 -0.376 0.000 1.057 340 V CA 2.574 64.572 62.300 -0.504 0.000 1.032 340 V CB -1.155 30.032 31.823 -1.060 0.000 0.645 340 V HN 0.680 nan 8.190 nan 0.000 0.447 341 S N 0.538 116.109 115.700 -0.215 0.000 2.372 341 S HA -0.290 4.179 4.470 -0.000 0.000 0.227 341 S C 2.102 176.699 174.600 -0.004 0.000 1.044 341 S CA 1.631 59.847 58.200 0.026 0.000 1.050 341 S CB -0.743 62.584 63.200 0.211 0.000 0.901 341 S HN 0.707 nan 8.310 nan 0.000 0.447 342 A N 2.930 125.741 122.820 -0.017 0.000 1.830 342 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 342 A C 2.304 179.849 177.584 -0.065 0.000 1.218 342 A CA 1.742 53.767 52.037 -0.020 0.000 0.628 342 A CB -1.235 17.748 19.000 -0.028 0.000 0.860 342 A HN 0.586 nan 8.150 nan 0.000 0.454 343 L N -1.528 119.622 121.223 -0.120 0.000 2.263 343 L HA -0.239 4.101 4.340 -0.000 0.000 0.216 343 L C 2.471 179.279 176.870 -0.103 0.000 1.111 343 L CA 2.224 56.991 54.840 -0.122 0.000 0.773 343 L CB -0.954 41.009 42.059 -0.161 0.000 0.906 343 L HN 0.675 nan 8.230 nan 0.000 0.439 344 Q N 2.352 122.081 119.800 -0.118 0.000 2.014 344 Q HA -0.309 4.030 4.340 -0.000 0.000 0.207 344 Q C 1.775 177.751 176.000 -0.040 0.000 0.993 344 Q CA 2.856 58.603 55.803 -0.094 0.000 0.850 344 Q CB -0.397 28.277 28.738 -0.107 0.000 0.916 344 Q HN 0.853 nan 8.270 nan 0.000 0.417 345 D N 0.737 121.126 120.400 -0.018 0.000 2.144 345 D HA -0.212 4.428 4.640 -0.000 0.000 0.199 345 D C 2.253 178.556 176.300 0.004 0.000 0.984 345 D CA 1.221 55.225 54.000 0.007 0.000 0.834 345 D CB -0.781 40.035 40.800 0.027 0.000 0.955 345 D HN 0.393 nan 8.370 nan 0.000 0.465 346 L N -0.757 120.462 121.223 -0.008 0.000 2.083 346 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 346 L C 1.532 178.402 176.870 0.000 0.000 1.083 346 L CA 1.815 56.654 54.840 -0.001 0.000 0.752 346 L CB -0.183 41.866 42.059 -0.016 0.000 0.899 346 L HN 0.480 nan 8.230 nan 0.000 0.433 347 G N -1.420 107.371 108.800 -0.015 0.000 2.174 347 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.140 347 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.140 347 G C 0.016 174.903 174.900 -0.023 0.000 1.031 347 G CA -0.165 44.928 45.100 -0.012 0.000 0.728 347 G HN 0.174 nan 8.290 nan 0.000 0.496 348 M N 0.988 120.563 119.600 -0.041 0.000 2.233 348 M HA 0.398 4.878 4.480 -0.000 0.000 0.355 348 M C 0.473 176.737 176.300 -0.061 0.000 1.191 348 M CA -0.398 54.872 55.300 -0.051 0.000 1.101 348 M CB 1.404 33.963 32.600 -0.068 0.000 1.592 348 M HN 0.124 nan 8.290 nan 0.000 0.461 349 K N 2.832 123.202 120.400 -0.050 0.000 2.383 349 K HA 0.359 4.679 4.320 -0.000 0.000 0.286 349 K C -1.331 175.221 176.600 -0.080 0.000 1.051 349 K CA -0.291 55.965 56.287 -0.051 0.000 0.974 349 K CB 0.541 33.026 32.500 -0.025 0.000 0.968 349 K HN 0.580 nan 8.250 nan 0.000 0.475 350 V N 4.768 124.620 119.914 -0.104 0.000 2.483 350 V HA 0.375 4.495 4.120 -0.000 0.000 0.295 350 V C -0.582 175.422 176.094 -0.150 0.000 1.035 350 V CA -0.984 61.227 62.300 -0.149 0.000 0.896 350 V CB 1.609 33.307 31.823 -0.208 0.000 0.986 350 V HN 0.520 nan 8.190 nan 0.000 0.447 351 V N 3.260 123.062 119.914 -0.187 0.000 2.409 351 V HA 0.819 4.939 4.120 -0.000 0.000 0.290 351 V C 0.286 176.242 176.094 -0.231 0.000 1.017 351 V CA -0.445 61.712 62.300 -0.238 0.000 0.841 351 V CB 1.178 32.754 31.823 -0.412 0.000 1.003 351 V HN 1.042 nan 8.190 nan 0.000 0.426 352 A N 3.781 126.493 122.820 -0.180 0.000 2.299 352 A HA 1.039 5.358 4.320 -0.000 0.000 0.332 352 A C 0.014 177.522 177.584 -0.126 0.000 1.131 352 A CA -0.555 51.393 52.037 -0.148 0.000 0.844 352 A CB 1.522 20.440 19.000 -0.136 0.000 1.251 352 A HN 0.843 nan 8.150 nan 0.000 0.486 353 T N -0.481 113.991 114.554 -0.138 0.000 3.159 353 T HA 0.604 4.954 4.350 -0.000 0.000 0.343 353 T C -0.150 174.371 174.700 -0.298 0.000 1.364 353 T CA -0.056 61.950 62.100 -0.156 0.000 1.102 353 T CB 1.392 70.194 68.868 -0.110 0.000 1.263 353 T HN 1.334 nan 8.240 nan 0.000 0.477 354 G N -0.412 108.251 108.800 -0.228 0.000 2.597 354 G HA2 0.610 4.570 3.960 -0.000 0.000 0.317 354 G HA3 0.610 4.570 3.960 -0.000 0.000 0.317 354 G C -0.441 174.338 174.900 -0.201 0.000 1.230 354 G CA -0.672 44.267 45.100 -0.268 0.000 0.996 354 G HN 0.753 nan 8.290 nan 0.000 0.490 355 T N -0.449 114.013 114.554 -0.152 0.000 3.483 355 T HA 0.310 4.660 4.350 -0.000 0.000 0.258 355 T C 1.009 175.710 174.700 0.001 0.000 1.013 355 T CA -0.007 62.064 62.100 -0.049 0.000 1.078 355 T CB -1.175 67.706 68.868 0.023 0.000 1.111 355 T HN 0.785 nan 8.240 nan 0.000 0.538 356 K N 0.021 120.418 120.400 -0.004 0.000 4.104 356 K HA -0.185 4.135 4.320 -0.000 0.000 0.367 356 K C 0.456 177.066 176.600 0.016 0.000 0.615 356 K CA 1.591 57.884 56.287 0.011 0.000 1.598 356 K CB -1.020 31.493 32.500 0.022 0.000 1.261 356 K HN 0.299 nan 8.250 nan 0.000 0.503 357 K N 1.518 121.931 120.400 0.021 0.000 2.500 357 K HA 0.240 4.560 4.320 -0.000 0.000 0.206 357 K C 0.070 176.683 176.600 0.022 0.000 1.034 357 K CA 0.126 56.430 56.287 0.029 0.000 1.179 357 K CB 0.862 33.389 32.500 0.045 0.000 0.884 357 K HN 0.137 nan 8.250 nan 0.000 0.493 358 S N 1.377 117.079 115.700 0.004 0.000 2.632 358 S HA 0.224 4.694 4.470 -0.000 0.000 0.271 358 S C 0.488 175.093 174.600 0.007 0.000 1.260 358 S CA -0.629 57.568 58.200 -0.005 0.000 1.010 358 S CB 0.890 64.070 63.200 -0.033 0.000 0.965 358 S HN 0.409 nan 8.310 nan 0.000 0.534 359 T N 0.808 115.369 114.554 0.012 0.000 2.734 359 T HA 0.097 4.447 4.350 -0.000 0.000 0.314 359 T C 0.955 175.660 174.700 0.009 0.000 1.057 359 T CA -0.487 61.622 62.100 0.015 0.000 1.047 359 T CB 0.279 69.158 68.868 0.019 0.000 0.991 359 T HN 0.533 nan 8.240 nan 0.000 0.540 360 E N 0.683 120.888 120.200 0.009 0.000 2.204 360 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 360 E C 2.026 178.625 176.600 -0.002 0.000 0.989 360 E CA 0.880 57.282 56.400 0.004 0.000 0.824 360 E CB -0.184 29.519 29.700 0.005 0.000 0.756 360 E HN 0.778 nan 8.360 nan 0.000 0.477 361 E N 1.139 121.338 120.200 -0.000 0.000 2.026 361 E HA -0.221 4.128 4.350 -0.000 0.000 0.206 361 E C 1.750 178.348 176.600 -0.004 0.000 1.028 361 E CA 1.704 58.098 56.400 -0.009 0.000 0.845 361 E CB -0.093 29.609 29.700 0.004 0.000 0.772 361 E HN 0.164 nan 8.360 nan 0.000 0.462 362 D N 0.660 121.071 120.400 0.018 0.000 2.137 362 D HA -0.198 4.442 4.640 -0.000 0.000 0.189 362 D C 1.811 178.130 176.300 0.031 0.000 0.998 362 D CA 1.505 55.528 54.000 0.038 0.000 0.839 362 D CB -0.314 40.492 40.800 0.010 0.000 0.962 362 D HN 0.128 nan 8.370 nan 0.000 0.446 363 K N 0.490 120.894 120.400 0.008 0.000 2.113 363 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 363 K C 2.099 178.705 176.600 0.010 0.000 1.047 363 K CA 1.312 57.603 56.287 0.006 0.000 0.928 363 K CB -0.172 32.328 32.500 -0.001 0.000 0.716 363 K HN 0.104 nan 8.250 nan 0.000 0.446 364 A N 1.172 123.990 122.820 -0.003 0.000 1.968 364 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 364 A C 2.088 179.655 177.584 -0.028 0.000 1.169 364 A CA 1.104 53.130 52.037 -0.019 0.000 0.638 364 A CB -0.202 18.777 19.000 -0.036 0.000 0.812 364 A HN 0.136 nan 8.150 nan 0.000 0.446 365 R N -0.270 120.213 120.500 -0.028 0.000 2.080 365 R HA 0.160 4.500 4.340 -0.000 0.000 0.222 365 R C 1.905 178.322 176.300 0.195 0.000 1.107 365 R CA 1.071 57.151 56.100 -0.033 0.000 0.980 365 R CB -0.309 29.872 30.300 -0.198 0.000 0.879 365 R HN 0.564 nan 8.270 nan 0.000 0.439 366 I N 0.487 121.157 120.570 0.166 0.000 2.248 366 I HA -0.312 3.857 4.170 -0.000 0.000 0.248 366 I C 2.140 178.313 176.117 0.092 0.000 1.107 366 I CA 1.045 62.421 61.300 0.127 0.000 1.373 366 I CB -0.379 37.648 38.000 0.046 0.000 1.055 366 I HN 0.097 nan 8.210 nan 0.000 0.418 367 R N 1.352 121.890 120.500 0.064 0.000 2.088 367 R HA -0.213 4.127 4.340 -0.000 0.000 0.232 367 R C 2.175 178.509 176.300 0.057 0.000 1.136 367 R CA 1.967 58.094 56.100 0.044 0.000 0.926 367 R CB -0.924 29.389 30.300 0.022 0.000 0.837 367 R HN 0.424 nan 8.270 nan 0.000 0.429 368 E N 0.503 120.737 120.200 0.057 0.000 2.048 368 E HA -0.225 4.125 4.350 -0.000 0.000 0.202 368 E C 1.996 178.664 176.600 0.113 0.000 1.021 368 E CA 1.990 58.429 56.400 0.065 0.000 0.825 368 E CB -0.722 28.997 29.700 0.032 0.000 0.756 368 E HN 0.288 nan 8.360 nan 0.000 0.454 369 L N -0.376 120.962 121.223 0.192 0.000 1.978 369 L HA -0.104 4.235 4.340 -0.000 0.000 0.218 369 L C 1.185 178.107 176.870 0.087 0.000 1.075 369 L CA 2.308 57.256 54.840 0.180 0.000 0.767 369 L CB -0.091 42.083 42.059 0.191 0.000 0.890 369 L HN 0.506 nan 8.230 nan 0.000 0.434 370 M N -0.860 118.780 119.600 0.067 0.000 2.307 370 M HA 0.444 4.923 4.480 -0.000 0.000 0.279 370 M C -0.536 175.789 176.300 0.043 0.000 1.080 370 M CA 0.099 55.426 55.300 0.045 0.000 0.964 370 M CB 1.272 33.887 32.600 0.025 0.000 1.825 370 M HN 0.302 nan 8.290 nan 0.000 0.489 371 G N 3.482 112.307 108.800 0.043 0.000 3.276 371 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.679 371 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.679 371 G C -0.745 174.176 174.900 0.034 0.000 0.911 371 G CA 0.065 45.190 45.100 0.041 0.000 0.797 371 G HN 0.983 nan 8.290 nan 0.000 0.503 372 D N 2.260 122.677 120.400 0.029 0.000 2.845 372 D HA 0.232 4.872 4.640 -0.000 0.000 0.235 372 D C 1.142 177.455 176.300 0.022 0.000 1.158 372 D CA 0.555 54.569 54.000 0.023 0.000 0.990 372 D CB 0.042 40.853 40.800 0.018 0.000 1.094 372 D HN 0.653 nan 8.370 nan 0.000 0.486 373 D N -1.276 119.139 120.400 0.026 0.000 2.519 373 D HA -0.077 4.562 4.640 -0.000 0.000 0.114 373 D C 0.102 176.417 176.300 0.026 0.000 1.463 373 D CA -0.258 53.757 54.000 0.025 0.000 1.454 373 D CB 0.346 41.163 40.800 0.029 0.000 2.156 373 D HN 0.013 nan 8.370 nan 0.000 0.210 374 V N 2.144 122.078 119.914 0.033 0.000 2.488 374 V HA 0.430 4.550 4.120 -0.000 0.000 0.277 374 V C 0.252 176.355 176.094 0.016 0.000 1.046 374 V CA 0.477 62.796 62.300 0.032 0.000 0.986 374 V CB 0.751 32.606 31.823 0.053 0.000 0.989 374 V HN 0.602 nan 8.190 nan 0.000 0.475 375 K N 5.750 126.154 120.400 0.007 0.000 2.598 375 K HA 0.140 4.460 4.320 -0.000 0.000 0.185 375 K C -0.499 176.094 176.600 -0.011 0.000 1.458 375 K CA -0.257 56.020 56.287 -0.016 0.000 1.079 375 K CB -0.325 32.167 32.500 -0.015 0.000 1.253 375 K HN 0.569 nan 8.250 nan 0.000 0.592 376 M N 3.151 122.755 119.600 0.008 0.000 3.117 376 M HA 0.257 4.737 4.480 -0.000 0.000 0.292 376 M C 0.302 176.620 176.300 0.030 0.000 1.357 376 M CA -0.779 54.531 55.300 0.017 0.000 1.463 376 M CB 0.335 32.947 32.600 0.021 0.000 1.105 376 M HN 0.240 nan 8.290 nan 0.000 0.553 377 L N -0.840 120.402 121.223 0.032 0.000 2.612 377 L HA 0.468 4.808 4.340 -0.000 0.000 0.230 377 L C -0.300 176.614 176.870 0.074 0.000 1.140 377 L CA -0.320 54.557 54.840 0.063 0.000 0.896 377 L CB -1.087 41.023 42.059 0.084 0.000 1.065 377 L HN 0.429 nan 8.230 nan 0.000 0.447 378 D N 0.744 121.177 120.400 0.056 0.000 5.703 378 D HA -0.236 4.404 4.640 -0.000 0.000 0.317 378 D C 0.591 176.935 176.300 0.073 0.000 2.508 378 D CA 1.563 55.596 54.000 0.055 0.000 1.333 378 D CB -0.156 40.674 40.800 0.049 0.000 1.145 378 D HN 0.620 nan 8.370 nan 0.000 1.293 379 E N -0.218 120.020 120.200 0.063 0.000 2.502 379 E HA 0.231 4.581 4.350 -0.000 0.000 0.194 379 E C 1.097 177.738 176.600 0.069 0.000 1.062 379 E CA 0.399 56.842 56.400 0.071 0.000 0.867 379 E CB -0.080 29.652 29.700 0.053 0.000 0.888 379 E HN 0.448 nan 8.360 nan 0.000 0.510 380 G N 1.879 110.719 108.800 0.066 0.000 2.299 380 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.256 380 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.256 380 G C 0.193 175.119 174.900 0.044 0.000 1.259 380 G CA -0.339 44.791 45.100 0.050 0.000 0.943 380 G HN 0.121 nan 8.290 nan 0.000 0.479 381 N N 1.925 120.633 118.700 0.013 0.000 2.128 381 N HA -0.075 4.664 4.740 -0.000 0.000 0.242 381 N C 2.355 177.837 175.510 -0.046 0.000 1.256 381 N CA 0.340 53.374 53.050 -0.028 0.000 0.933 381 N CB 0.014 38.484 38.487 -0.029 0.000 0.992 381 N HN 0.498 nan 8.380 nan 0.000 0.405 382 A N 1.277 124.062 122.820 -0.058 0.000 2.076 382 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 382 A C 2.162 179.733 177.584 -0.021 0.000 1.160 382 A CA 1.269 53.273 52.037 -0.056 0.000 0.653 382 A CB -0.689 18.280 19.000 -0.051 0.000 0.801 382 A HN 0.547 nan 8.150 nan 0.000 0.455 383 R N -0.007 120.489 120.500 -0.007 0.000 2.113 383 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 383 R C 1.805 178.116 176.300 0.019 0.000 1.129 383 R CA 2.098 58.202 56.100 0.007 0.000 0.915 383 R CB -1.647 28.660 30.300 0.011 0.000 0.837 383 R HN 0.278 nan 8.270 nan 0.000 0.430 384 V N 1.921 121.855 119.914 0.033 0.000 2.255 384 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 384 V C 2.697 178.828 176.094 0.061 0.000 1.051 384 V CA 1.752 64.086 62.300 0.057 0.000 1.018 384 V CB -0.838 31.033 31.823 0.081 0.000 0.641 384 V HN 0.185 nan 8.190 nan 0.000 0.445 385 L N -0.411 120.837 121.223 0.042 0.000 1.955 385 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 385 L C 2.287 179.165 176.870 0.014 0.000 1.072 385 L CA 1.956 56.812 54.840 0.026 0.000 0.755 385 L CB -1.091 40.919 42.059 -0.082 0.000 0.888 385 L HN 0.287 nan 8.230 nan 0.000 0.432 386 L N 0.477 121.692 121.223 -0.013 0.000 1.963 386 L HA -0.282 4.058 4.340 -0.000 0.000 0.220 386 L C 2.739 179.618 176.870 0.015 0.000 1.076 386 L CA 2.768 57.600 54.840 -0.012 0.000 0.772 386 L CB -1.016 41.031 42.059 -0.020 0.000 0.892 386 L HN 0.590 nan 8.230 nan 0.000 0.435 387 K N -2.388 118.026 120.400 0.024 0.000 2.211 387 K HA -0.147 4.172 4.320 -0.000 0.000 0.204 387 K C 1.632 178.273 176.600 0.069 0.000 1.047 387 K CA 1.872 58.179 56.287 0.033 0.000 0.935 387 K CB -0.824 31.691 32.500 0.026 0.000 0.728 387 K HN 0.350 nan 8.250 nan 0.000 0.452 388 T N 1.053 115.667 114.554 0.101 0.000 2.951 388 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 388 T C 1.935 176.782 174.700 0.245 0.000 1.073 388 T CA 0.973 63.191 62.100 0.198 0.000 1.134 388 T CB -0.041 68.934 68.868 0.179 0.000 0.884 388 T HN 0.051 nan 8.240 nan 0.000 0.479 389 V N 1.849 121.835 119.914 0.121 0.000 2.358 389 V HA -0.135 3.984 4.120 -0.000 0.000 0.246 389 V C 2.181 178.339 176.094 0.106 0.000 1.047 389 V CA 1.709 64.061 62.300 0.087 0.000 1.035 389 V CB -0.518 31.312 31.823 0.011 0.000 0.658 389 V HN 0.390 nan 8.190 nan 0.000 0.452 390 D N -0.233 120.208 120.400 0.069 0.000 2.117 390 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 390 D C 2.190 178.510 176.300 0.034 0.000 0.982 390 D CA 1.095 55.115 54.000 0.034 0.000 0.828 390 D CB -0.189 40.618 40.800 0.011 0.000 0.967 390 D HN 0.467 nan 8.370 nan 0.000 0.464 391 E N -0.565 119.659 120.200 0.040 0.000 2.086 391 E HA -0.213 4.136 4.350 -0.000 0.000 0.200 391 E C 1.258 177.742 176.600 -0.194 0.000 1.012 391 E CA 1.138 57.472 56.400 -0.110 0.000 0.812 391 E CB -0.118 29.457 29.700 -0.209 0.000 0.743 391 E HN 0.494 nan 8.360 nan 0.000 0.453 392 Y N -0.225 120.066 120.300 -0.015 0.000 2.466 392 Y HA 0.118 4.667 4.550 -0.000 0.000 0.272 392 Y C 0.250 176.135 175.900 -0.025 0.000 1.169 392 Y CA -0.145 57.944 58.100 -0.018 0.000 1.285 392 Y CB 0.461 38.910 38.460 -0.017 0.000 1.078 392 Y HN -0.094 nan 8.280 nan 0.000 0.523 393 Q N -0.140 119.718 119.800 0.097 0.000 2.452 393 Q HA -0.200 4.140 4.340 -0.000 0.000 0.318 393 Q C 0.141 176.160 176.000 0.031 0.000 1.386 393 Q CA 0.432 56.259 55.803 0.039 0.000 0.872 393 Q CB -1.401 27.345 28.738 0.014 0.000 1.151 393 Q HN 0.508 nan 8.270 nan 0.000 0.417 394 A N 0.108 122.950 122.820 0.037 0.000 2.407 394 A HA 0.223 4.543 4.320 -0.000 0.000 0.248 394 A C 0.615 178.164 177.584 -0.059 0.000 1.082 394 A CA 0.401 52.431 52.037 -0.010 0.000 0.785 394 A CB 0.400 19.388 19.000 -0.020 0.000 1.020 394 A HN 0.358 nan 8.150 nan 0.000 0.489 395 D N -0.173 120.180 120.400 -0.078 0.000 2.323 395 D HA 0.213 4.853 4.640 -0.000 0.000 0.218 395 D C 0.149 176.350 176.300 -0.164 0.000 0.973 395 D CA 0.920 54.850 54.000 -0.116 0.000 0.890 395 D CB 0.123 40.871 40.800 -0.087 0.000 1.011 395 D HN 0.590 nan 8.370 nan 0.000 0.499 396 I N 0.545 121.039 120.570 -0.126 0.000 2.865 396 I HA 0.290 4.460 4.170 -0.000 0.000 0.302 396 I C -1.324 174.755 176.117 -0.064 0.000 1.140 396 I CA -1.251 59.980 61.300 -0.116 0.000 1.021 396 I CB 2.742 40.678 38.000 -0.108 0.000 1.233 396 I HN -0.151 nan 8.210 nan 0.000 0.427 397 L N 5.430 126.659 121.223 0.010 0.000 2.322 397 L HA 0.651 4.991 4.340 -0.000 0.000 0.281 397 L C -1.375 175.597 176.870 0.170 0.000 1.014 397 L CA -0.414 54.472 54.840 0.076 0.000 0.815 397 L CB 1.683 43.786 42.059 0.074 0.000 1.247 397 L HN 0.632 nan 8.230 nan 0.000 0.421 398 I N 5.124 125.737 120.570 0.071 0.000 2.418 398 I HA 0.522 4.691 4.170 -0.000 0.000 0.287 398 I C 0.278 176.454 176.117 0.098 0.000 1.008 398 I CA 0.034 61.323 61.300 -0.018 0.000 1.104 398 I CB 1.867 39.782 38.000 -0.142 0.000 1.264 398 I HN 0.854 nan 8.210 nan 0.000 0.438 399 A N 4.525 127.455 122.820 0.182 0.000 2.458 399 A HA 0.646 4.966 4.320 -0.000 0.000 0.152 399 A C 0.464 178.181 177.584 0.222 0.000 1.790 399 A CA 0.366 52.545 52.037 0.236 0.000 1.327 399 A CB 0.204 19.345 19.000 0.235 0.000 1.572 399 A HN 1.155 nan 8.150 nan 0.000 0.416 400 G N -1.546 107.416 108.800 0.270 0.000 2.576 400 G HA2 0.413 4.373 3.960 -0.000 0.000 0.686 400 G HA3 0.413 4.373 3.960 -0.000 0.000 0.686 400 G C 0.937 176.023 174.900 0.311 0.000 1.242 400 G CA 0.258 45.496 45.100 0.231 0.000 0.819 400 G HN 1.486 nan 8.290 nan 0.000 0.655 401 G N 0.031 108.978 108.800 0.245 0.000 2.517 401 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.222 401 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.222 401 G C 1.646 176.631 174.900 0.142 0.000 1.109 401 G CA 1.816 47.051 45.100 0.225 0.000 0.746 401 G HN 0.864 nan 8.290 nan 0.000 0.576 402 R N 0.410 120.968 120.500 0.097 0.000 2.080 402 R HA -0.089 4.251 4.340 -0.000 0.000 0.236 402 R C 1.524 177.808 176.300 -0.027 0.000 1.137 402 R CA 1.634 57.760 56.100 0.043 0.000 0.943 402 R CB -0.165 30.152 30.300 0.029 0.000 0.846 402 R HN 0.365 nan 8.270 nan 0.000 0.431 403 N N -0.062 118.580 118.700 -0.096 0.000 2.362 403 N HA -0.021 4.719 4.740 -0.000 0.000 0.204 403 N C 0.972 176.153 175.510 -0.549 0.000 1.166 403 N CA 0.234 53.131 53.050 -0.255 0.000 0.831 403 N CB 0.137 38.453 38.487 -0.285 0.000 1.008 403 N HN 0.317 nan 8.380 nan 0.000 0.472 404 M N -0.648 118.610 119.600 -0.570 0.000 2.098 404 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 404 M C 1.016 176.860 176.300 -0.761 0.000 1.072 404 M CA 1.547 56.141 55.300 -1.177 0.000 1.133 404 M CB -0.059 32.254 32.600 -0.479 0.000 1.344 404 M HN 0.028 nan 8.290 nan 0.000 0.414 405 Y N 0.632 120.760 120.300 -0.285 0.000 2.439 405 Y HA -0.137 4.413 4.550 -0.000 0.000 0.292 405 Y C 2.887 178.692 175.900 -0.158 0.000 1.130 405 Y CA 1.820 59.821 58.100 -0.165 0.000 1.254 405 Y CB -0.916 37.490 38.460 -0.090 0.000 1.000 405 Y HN 0.505 nan 8.280 nan 0.000 0.554 406 T N -2.391 112.108 114.554 -0.091 0.000 2.821 406 T HA -0.171 4.178 4.350 -0.000 0.000 0.267 406 T C 2.162 176.778 174.700 -0.140 0.000 1.046 406 T CA 1.106 63.145 62.100 -0.102 0.000 1.139 406 T CB -0.522 68.270 68.868 -0.128 0.000 0.871 406 T HN 0.256 nan 8.240 nan 0.000 0.454 407 A N 1.221 123.882 122.820 -0.266 0.000 1.873 407 A HA 0.201 4.520 4.320 -0.000 0.000 0.215 407 A C 2.341 179.861 177.584 -0.106 0.000 1.186 407 A CA 1.348 53.244 52.037 -0.235 0.000 0.616 407 A CB -0.947 17.808 19.000 -0.408 0.000 0.823 407 A HN 0.455 nan 8.150 nan 0.000 0.442 408 L N -0.130 121.032 121.223 -0.102 0.000 2.005 408 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 408 L C 2.374 179.322 176.870 0.130 0.000 1.072 408 L CA 1.847 56.739 54.840 0.087 0.000 0.744 408 L CB -0.327 41.719 42.059 -0.021 0.000 0.895 408 L HN 0.207 nan 8.230 nan 0.000 0.433 409 K N -0.629 119.818 120.400 0.077 0.000 2.148 409 K HA 0.021 4.340 4.320 -0.000 0.000 0.204 409 K C 1.608 178.244 176.600 0.059 0.000 1.050 409 K CA 1.089 57.426 56.287 0.083 0.000 0.942 409 K CB -0.668 31.879 32.500 0.078 0.000 0.724 409 K HN 0.410 nan 8.250 nan 0.000 0.446 410 G N 1.511 110.326 108.800 0.026 0.000 3.295 410 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.231 410 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.231 410 G C -0.066 174.845 174.900 0.019 0.000 1.277 410 G CA -0.369 44.736 45.100 0.009 0.000 1.013 410 G HN 0.177 nan 8.290 nan 0.000 0.509 411 R N -1.820 118.733 120.500 0.089 0.000 3.358 411 R HA -0.171 4.168 4.340 -0.000 0.000 0.248 411 R C -0.320 175.961 176.300 -0.032 0.000 0.981 411 R CA 0.619 56.819 56.100 0.166 0.000 0.662 411 R CB -2.382 28.006 30.300 0.147 0.000 1.037 411 R HN 0.259 nan 8.270 nan 0.000 0.460 412 V N 0.027 119.835 119.914 -0.177 0.000 2.555 412 V HA 0.436 4.555 4.120 -0.000 0.000 0.302 412 V C -1.909 173.732 176.094 -0.755 0.000 1.038 412 V CA -2.384 59.642 62.300 -0.457 0.000 0.887 412 V CB 2.299 33.986 31.823 -0.227 0.000 0.991 412 V HN -0.063 nan 8.190 nan 0.000 0.434 413 P HA 0.136 nan 4.420 nan 0.000 0.266 413 P C -1.056 176.232 177.300 -0.020 0.000 1.193 413 P CA 0.457 63.152 63.100 -0.675 0.000 0.770 413 P CB 0.297 31.642 31.700 -0.592 0.000 0.836 414 F N 2.685 122.639 119.950 0.007 0.000 2.626 414 F HA 0.683 5.210 4.527 -0.001 0.000 0.311 414 F C -1.584 174.202 175.800 -0.024 0.000 1.088 414 F CA -1.122 56.864 58.000 -0.023 0.000 0.949 414 F CB 1.554 40.550 39.000 -0.006 0.000 1.322 414 F HN 0.082 nan 8.300 nan 0.000 0.461 415 L N 4.700 125.326 121.223 -0.994 0.000 2.620 415 L HA 0.277 4.617 4.340 -0.000 0.000 0.261 415 L C -1.287 174.982 176.870 -1.002 0.000 0.978 415 L CA -0.616 53.739 54.840 -0.807 0.000 0.897 415 L CB 0.910 42.684 42.059 -0.475 0.000 1.207 415 L HN 0.581 nan 8.230 nan 0.000 0.425 416 D N 4.088 123.993 120.400 -0.825 0.000 2.583 416 D HA -0.020 4.620 4.640 -0.000 0.000 0.232 416 D C 0.238 176.462 176.300 -0.126 0.000 1.128 416 D CA 0.277 54.051 54.000 -0.376 0.000 0.859 416 D CB 1.021 41.843 40.800 0.036 0.000 1.169 416 D HN 0.287 nan 8.370 nan 0.000 0.481 417 I N 4.866 125.403 120.570 -0.055 0.000 2.204 417 I HA 0.110 4.280 4.170 -0.000 0.000 0.285 417 I C 0.032 176.198 176.117 0.082 0.000 1.112 417 I CA -0.072 61.232 61.300 0.006 0.000 1.502 417 I CB -1.240 36.741 38.000 -0.033 0.000 1.499 417 I HN 0.160 nan 8.210 nan 0.000 0.661 418 N N 2.476 121.273 118.700 0.162 0.000 2.480 418 N HA 0.125 4.865 4.740 -0.000 0.000 0.289 418 N C 0.708 176.325 175.510 0.177 0.000 1.073 418 N CA -0.340 52.798 53.050 0.146 0.000 0.885 418 N CB 2.192 40.740 38.487 0.102 0.000 1.421 418 N HN 0.176 nan 8.380 nan 0.000 0.503 419 Q N 1.402 121.302 119.800 0.166 0.000 2.364 419 Q HA -0.121 4.218 4.340 -0.000 0.000 0.207 419 Q C 1.663 177.678 176.000 0.025 0.000 0.970 419 Q CA 1.326 57.215 55.803 0.144 0.000 0.888 419 Q CB 0.102 29.014 28.738 0.290 0.000 0.951 419 Q HN 0.736 nan 8.270 nan 0.000 0.469 420 E N -0.538 119.668 120.200 0.011 0.000 2.160 420 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 420 E C 0.871 177.395 176.600 -0.127 0.000 0.991 420 E CA 0.454 56.826 56.400 -0.047 0.000 0.810 420 E CB 0.002 29.679 29.700 -0.038 0.000 0.742 420 E HN 0.114 nan 8.360 nan 0.000 0.466 421 R N 0.586 120.978 120.500 -0.181 0.000 2.951 421 R HA -0.010 4.330 4.340 -0.000 0.000 0.141 421 R C 1.454 177.418 176.300 -0.560 0.000 0.691 421 R CA 0.937 56.799 56.100 -0.397 0.000 1.548 421 R CB -0.214 29.798 30.300 -0.481 0.000 0.559 421 R HN 0.182 nan 8.270 nan 0.000 0.572 422 E N -0.679 118.938 120.200 -0.972 0.000 2.526 422 E HA 0.122 4.472 4.350 -0.000 0.000 0.208 422 E C -0.910 175.330 176.600 -0.600 0.000 0.997 422 E CA -0.133 55.868 56.400 -0.664 0.000 0.961 422 E CB 0.263 29.680 29.700 -0.471 0.000 1.030 422 E HN 0.308 nan 8.360 nan 0.000 0.483 423 F N -2.164 117.624 119.950 -0.270 0.000 2.520 423 F HA 0.778 5.305 4.527 -0.000 0.000 0.322 423 F C 1.014 176.389 175.800 -0.708 0.000 1.103 423 F CA -0.647 57.093 58.000 -0.434 0.000 0.926 423 F CB 1.889 40.612 39.000 -0.460 0.000 1.154 423 F HN -0.103 nan 8.300 nan 0.000 0.453 424 G N 1.208 109.794 108.800 -0.356 0.000 2.672 424 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.197 424 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.197 424 G C 0.040 175.013 174.900 0.122 0.000 0.995 424 G CA -0.472 44.570 45.100 -0.095 0.000 0.754 424 G HN 0.569 nan 8.290 nan 0.000 0.505 425 Y N 1.863 122.337 120.300 0.290 0.000 2.502 425 Y HA 0.669 5.219 4.550 -0.000 0.000 0.295 425 Y C 1.712 177.791 175.900 0.299 0.000 1.193 425 Y CA -0.170 58.095 58.100 0.275 0.000 1.295 425 Y CB -0.455 38.169 38.460 0.273 0.000 1.059 425 Y HN 0.508 nan 8.280 nan 0.000 0.514 426 A N -0.517 122.507 122.820 0.341 0.000 2.263 426 A HA 0.772 5.092 4.320 -0.000 0.000 0.318 426 A C 1.052 178.683 177.584 0.077 0.000 1.111 426 A CA -0.060 52.052 52.037 0.125 0.000 0.901 426 A CB -0.089 18.846 19.000 -0.107 0.000 1.280 426 A HN 0.501 nan 8.150 nan 0.000 0.503 427 G N -1.469 107.332 108.800 0.002 0.000 2.682 427 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.256 427 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.256 427 G C 0.335 175.134 174.900 -0.168 0.000 1.333 427 G CA 0.844 45.878 45.100 -0.109 0.000 0.904 427 G HN 1.035 nan 8.290 nan 0.000 0.569 428 Y N 0.059 120.374 120.300 0.025 0.000 2.145 428 Y HA -0.040 4.509 4.550 -0.000 0.000 0.286 428 Y C 2.852 178.705 175.900 -0.079 0.000 1.145 428 Y CA 2.098 60.194 58.100 -0.008 0.000 1.148 428 Y CB -0.143 38.315 38.460 -0.004 0.000 0.981 428 Y HN 0.509 nan 8.280 nan 0.000 0.507 429 D N -0.742 119.619 120.400 -0.065 0.000 2.347 429 D HA -0.035 4.605 4.640 -0.000 0.000 0.213 429 D C 2.267 178.392 176.300 -0.291 0.000 0.985 429 D CA 0.930 54.781 54.000 -0.248 0.000 0.879 429 D CB -0.246 40.291 40.800 -0.438 0.000 0.919 429 D HN 0.469 nan 8.370 nan 0.000 0.526 430 G N 1.658 110.343 108.800 -0.191 0.000 2.459 430 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 430 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 430 G C 1.649 176.612 174.900 0.105 0.000 1.183 430 G CA 0.425 45.568 45.100 0.072 0.000 0.776 430 G HN 0.175 nan 8.290 nan 0.000 0.552 431 M N 0.191 119.823 119.600 0.053 0.000 2.267 431 M HA -0.013 4.467 4.480 -0.000 0.000 0.263 431 M C 2.408 178.661 176.300 -0.080 0.000 1.063 431 M CA 0.697 56.000 55.300 0.005 0.000 1.090 431 M CB -0.473 32.129 32.600 0.004 0.000 1.392 431 M HN 0.099 nan 8.290 nan 0.000 0.422 432 L N 0.762 121.934 121.223 -0.085 0.000 2.081 432 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 432 L C 2.620 179.362 176.870 -0.213 0.000 1.080 432 L CA 1.952 56.690 54.840 -0.169 0.000 0.754 432 L CB -1.242 40.759 42.059 -0.097 0.000 0.893 432 L HN 0.485 nan 8.230 nan 0.000 0.433 433 E N -0.562 119.605 120.200 -0.056 0.000 2.460 433 E HA -0.104 4.245 4.350 -0.000 0.000 0.200 433 E C 2.136 178.757 176.600 0.035 0.000 1.011 433 E CA 0.007 56.398 56.400 -0.015 0.000 0.912 433 E CB -0.351 29.409 29.700 0.100 0.000 0.953 433 E HN 0.272 nan 8.360 nan 0.000 0.494 434 L N 1.355 122.607 121.223 0.048 0.000 1.989 434 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 434 L C 2.340 179.063 176.870 -0.246 0.000 1.071 434 L CA 1.546 56.279 54.840 -0.178 0.000 0.749 434 L CB -0.783 41.121 42.059 -0.259 0.000 0.890 434 L HN -0.011 nan 8.230 nan 0.000 0.431 435 V N -0.096 119.650 119.914 -0.279 0.000 2.255 435 V HA -0.349 3.771 4.120 -0.000 0.000 0.247 435 V C 2.717 178.586 176.094 -0.376 0.000 1.051 435 V CA 2.262 64.358 62.300 -0.340 0.000 1.018 435 V CB -0.660 30.863 31.823 -0.499 0.000 0.641 435 V HN 0.453 nan 8.190 nan 0.000 0.445 436 R N -0.166 119.999 120.500 -0.558 0.000 2.112 436 R HA -0.232 4.107 4.340 -0.000 0.000 0.242 436 R C 2.435 178.674 176.300 -0.101 0.000 1.137 436 R CA 1.951 57.848 56.100 -0.338 0.000 0.944 436 R CB -0.516 29.642 30.300 -0.237 0.000 0.857 436 R HN 0.502 nan 8.270 nan 0.000 0.435 437 Q N 0.356 120.087 119.800 -0.115 0.000 2.181 437 Q HA -0.135 4.205 4.340 -0.000 0.000 0.205 437 Q C 2.254 178.180 176.000 -0.123 0.000 0.980 437 Q CA 1.361 57.088 55.803 -0.126 0.000 0.862 437 Q CB -0.229 28.374 28.738 -0.224 0.000 0.905 437 Q HN 0.387 nan 8.270 nan 0.000 0.429 438 L N -0.487 120.656 121.223 -0.134 0.000 1.988 438 L HA -0.199 4.140 4.340 -0.000 0.000 0.207 438 L C 2.716 179.588 176.870 0.005 0.000 1.071 438 L CA 1.263 56.047 54.840 -0.094 0.000 0.744 438 L CB -0.753 41.237 42.059 -0.115 0.000 0.893 438 L HN 0.178 nan 8.230 nan 0.000 0.433 439 C N 0.217 119.555 119.300 0.062 0.000 2.398 439 C HA -0.200 4.260 4.460 -0.000 0.000 0.276 439 C C 2.735 177.803 174.990 0.130 0.000 1.222 439 C CA 0.566 59.668 59.018 0.140 0.000 1.746 439 C CB -1.142 26.765 27.740 0.279 0.000 2.039 439 C HN 0.669 nan 8.230 nan 0.000 0.470 440 I N 3.083 123.718 120.570 0.107 0.000 2.091 440 I HA -0.229 3.941 4.170 -0.000 0.000 0.239 440 I C 2.468 178.656 176.117 0.118 0.000 1.061 440 I CA 2.889 64.249 61.300 0.100 0.000 1.317 440 I CB -1.607 36.437 38.000 0.073 0.000 1.031 440 I HN 0.420 nan 8.210 nan 0.000 0.401 441 T N 1.759 116.393 114.554 0.133 0.000 2.668 441 T HA -0.099 4.250 4.350 -0.000 0.000 0.262 441 T C 1.641 176.608 174.700 0.445 0.000 1.045 441 T CA 1.613 63.885 62.100 0.286 0.000 1.152 441 T CB -1.233 67.804 68.868 0.282 0.000 0.864 441 T HN 0.497 nan 8.240 nan 0.000 0.419 442 L N 0.333 121.692 121.223 0.226 0.000 2.675 442 L HA 0.475 4.814 4.340 -0.000 0.000 0.239 442 L C 1.014 177.982 176.870 0.163 0.000 1.151 442 L CA 0.403 55.329 54.840 0.144 0.000 0.905 442 L CB -1.228 40.833 42.059 0.003 0.000 1.057 442 L HN 0.327 nan 8.230 nan 0.000 0.435 443 E N -1.181 119.139 120.200 0.201 0.000 2.714 443 E HA 0.176 4.526 4.350 -0.000 0.000 0.219 443 E C -0.432 176.267 176.600 0.166 0.000 0.979 443 E CA -0.280 56.213 56.400 0.155 0.000 1.092 443 E CB 0.512 30.278 29.700 0.111 0.000 1.049 443 E HN 0.435 nan 8.360 nan 0.000 0.487 444 C N 1.868 121.315 119.300 0.244 0.000 2.514 444 C HA 0.252 4.712 4.460 -0.000 0.000 0.392 444 C C -1.415 173.622 174.990 0.079 0.000 1.294 444 C CA -1.748 57.324 59.018 0.089 0.000 1.957 444 C CB 0.342 28.033 27.740 -0.081 0.000 2.541 444 C HN 0.183 nan 8.230 nan 0.000 0.569 445 P HA -0.034 nan 4.420 nan 0.000 0.239 445 P C 1.194 178.479 177.300 -0.024 0.000 1.184 445 P CA 0.728 63.842 63.100 0.023 0.000 0.760 445 P CB 0.068 31.772 31.700 0.006 0.000 0.884 446 V N -2.517 117.306 119.914 -0.151 0.000 2.719 446 V HA -0.124 3.995 4.120 -0.000 0.000 0.252 446 V C 1.827 177.827 176.094 -0.157 0.000 1.065 446 V CA 1.181 63.346 62.300 -0.224 0.000 1.086 446 V CB -1.205 30.379 31.823 -0.399 0.000 0.700 446 V HN 0.199 nan 8.190 nan 0.000 0.467 447 W N 0.731 122.038 121.300 0.012 0.000 2.355 447 W HA -0.195 4.464 4.660 -0.000 0.000 0.309 447 W C 2.532 179.057 176.519 0.009 0.000 1.206 447 W CA 1.329 58.680 57.345 0.011 0.000 1.284 447 W CB -0.134 29.333 29.460 0.011 0.000 1.145 447 W HN 0.233 nan 8.180 nan 0.000 0.502 448 E N 0.709 121.047 120.200 0.230 0.000 2.268 448 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 448 E C 1.986 178.641 176.600 0.091 0.000 0.995 448 E CA 1.308 57.789 56.400 0.134 0.000 0.836 448 E CB -0.202 29.555 29.700 0.095 0.000 0.763 448 E HN 0.126 nan 8.360 nan 0.000 0.491 449 A N 0.489 123.350 122.820 0.069 0.000 2.238 449 A HA 0.225 4.545 4.320 -0.000 0.000 0.208 449 A C 0.622 178.229 177.584 0.038 0.000 1.177 449 A CA 0.573 52.630 52.037 0.033 0.000 0.804 449 A CB -0.284 18.716 19.000 0.000 0.000 0.823 449 A HN 0.211 nan 8.150 nan 0.000 0.482 450 V N 0.000 119.959 119.914 0.074 0.000 2.409 450 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 450 V CA 0.000 62.347 62.300 0.079 0.000 1.235 450 V CB 0.000 31.869 31.823 0.077 0.000 1.184 450 V HN 0.000 nan 8.190 nan 0.000 0.556