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 2v0m_1_D DATA FIRST_RESID 30 DATA SEQUENCE HGLFKKLGIP GPTPLPFLGN ILSYHKGFCM FDMECHKKYG KVWGFYDGQQ DATA SEQUENCE PVLAITDPDM IKTVLVKECY SVFTNRRPFG PVGFMKSAIS IAEDEEWKRL DATA SEQUENCE RSLLSPTFTS GKLKEMVPII AQYGDVLVRN LRREAETGKP VTLKDVFGAY DATA SEQUENCE SMDVITSTSF GVNIDSLNNP QDPFVENTKK LLRFDFLDPF FLSITVFPFL DATA SEQUENCE IPILEVLNIC VFPREVTNFL RKSVKRMKES RLEDXXXXXV DFLQLMIDSQ DATA SEQUENCE XXXXXXXXXA LSDLELVAQS IIFIFAGYET TSSVLSFIMY ELATHPDVQQ DATA SEQUENCE KLQEEIDAVL PNKAPPTYDT VLQMEYLDMV VNETLRLFPI AMRLERVCKK DATA SEQUENCE DVEINGMFIP KGVVVMIPSY ALHRDPKYWT EPEKFLPERF SKKNKDNIDP DATA SEQUENCE YIYTPFGSGP RNCIGMRFAL MNMKLALIRV LQNFSFKPCK ETQIPLKLSL DATA SEQUENCE GGLLQPEKPV VLKVESR 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 30 H HA 0.000 nan 4.556 nan 0.000 0.296 30 H C 0.000 175.199 175.328 -0.214 0.000 0.993 30 H CA 0.000 55.672 56.048 -0.627 0.000 1.023 30 H CB 0.000 29.428 29.762 -0.556 0.000 1.292 31 G N 0.824 109.639 108.800 0.024 0.000 2.777 31 G HA2 -0.074 3.887 3.960 0.001 0.000 0.211 31 G HA3 -0.074 3.887 3.960 0.001 0.000 0.211 31 G C 1.446 176.403 174.900 0.094 0.000 1.149 31 G CA 0.318 45.454 45.100 0.060 0.000 0.785 31 G HN 0.128 nan 8.290 nan 0.000 0.536 32 L N 0.111 121.382 121.223 0.080 0.000 1.971 32 L HA -0.040 4.300 4.340 0.001 0.000 0.215 32 L C 2.463 179.311 176.870 -0.037 0.000 1.072 32 L CA 1.999 56.810 54.840 -0.048 0.000 0.758 32 L CB -0.551 41.369 42.059 -0.232 0.000 0.889 32 L HN 0.182 nan 8.230 nan 0.000 0.433 33 F N 0.043 120.115 119.950 0.203 0.000 2.146 33 F HA -0.144 4.383 4.527 0.001 0.000 0.298 33 F C 2.591 178.454 175.800 0.105 0.000 1.096 33 F CA 1.653 59.718 58.000 0.109 0.000 1.275 33 F CB -0.895 38.131 39.000 0.044 0.000 1.008 33 F HN 0.089 nan 8.300 nan 0.000 0.480 34 K N 0.615 121.187 120.400 0.287 0.000 2.103 34 K HA -0.236 4.085 4.320 0.001 0.000 0.207 34 K C 2.287 178.967 176.600 0.135 0.000 1.048 34 K CA 1.445 57.842 56.287 0.182 0.000 0.930 34 K CB -0.107 32.480 32.500 0.144 0.000 0.716 34 K HN 0.135 nan 8.250 nan 0.000 0.444 35 K N 0.747 121.218 120.400 0.118 0.000 2.001 35 K HA -0.106 4.214 4.320 0.001 0.000 0.208 35 K C 1.831 178.487 176.600 0.093 0.000 1.048 35 K CA 1.210 57.547 56.287 0.082 0.000 0.932 35 K CB -0.081 32.453 32.500 0.057 0.000 0.715 35 K HN 0.153 nan 8.250 nan 0.000 0.437 36 L N 0.479 121.781 121.223 0.131 0.000 2.633 36 L HA -0.005 4.335 4.340 0.001 0.000 0.235 36 L C 0.983 177.945 176.870 0.153 0.000 1.163 36 L CA 0.708 55.643 54.840 0.159 0.000 0.859 36 L CB -0.499 41.702 42.059 0.235 0.000 0.973 36 L HN 0.646 nan 8.230 nan 0.000 0.451 37 G N 1.161 110.045 108.800 0.140 0.000 2.198 37 G HA2 -0.290 3.670 3.960 0.001 0.000 0.257 37 G HA3 -0.290 3.670 3.960 0.001 0.000 0.257 37 G C 0.022 175.003 174.900 0.134 0.000 1.042 37 G CA -0.080 45.093 45.100 0.121 0.000 0.791 37 G HN 0.347 nan 8.290 nan 0.000 0.502 38 I N 1.928 122.602 120.570 0.174 0.000 2.339 38 I HA 0.331 4.501 4.170 0.001 0.000 0.290 38 I C -1.537 174.623 176.117 0.073 0.000 0.994 38 I CA -2.478 58.900 61.300 0.130 0.000 1.191 38 I CB 1.909 40.002 38.000 0.156 0.000 1.343 38 I HN -0.047 nan 8.210 nan 0.000 0.458 39 P HA 0.452 nan 4.420 nan 0.000 0.274 39 P C -0.272 176.838 177.300 -0.316 0.000 1.246 39 P CA -0.029 63.036 63.100 -0.059 0.000 0.795 39 P CB 1.404 33.135 31.700 0.052 0.000 1.006 40 G N -0.123 108.317 108.800 -0.601 0.000 2.338 40 G HA2 0.396 4.356 3.960 0.001 0.000 0.295 40 G HA3 0.396 4.356 3.960 0.001 0.000 0.295 40 G C -3.336 171.263 174.900 -0.503 0.000 1.461 40 G CA -0.852 43.750 45.100 -0.830 0.000 0.817 40 G HN 0.410 nan 8.290 nan 0.000 0.556 41 P HA 0.314 nan 4.420 nan 0.000 0.272 41 P C 0.028 177.415 177.300 0.145 0.000 1.223 41 P CA 0.099 63.288 63.100 0.147 0.000 0.784 41 P CB 0.624 32.485 31.700 0.270 0.000 0.923 42 T N 4.484 119.117 114.554 0.132 0.000 2.769 42 T HA 0.226 4.577 4.350 0.001 0.000 0.293 42 T C -1.827 172.908 174.700 0.058 0.000 0.931 42 T CA -0.710 61.446 62.100 0.093 0.000 1.139 42 T CB -0.476 68.435 68.868 0.072 0.000 0.881 42 T HN 0.401 nan 8.240 nan 0.000 0.532 43 P HA 0.251 nan 4.420 nan 0.000 0.272 43 P C -0.503 176.705 177.300 -0.152 0.000 1.223 43 P CA -0.427 62.567 63.100 -0.178 0.000 0.784 43 P CB 0.786 32.048 31.700 -0.730 0.000 0.923 44 L N 3.033 124.209 121.223 -0.077 0.000 2.360 44 L HA 0.418 4.759 4.340 0.001 0.000 0.271 44 L C -2.112 174.805 176.870 0.078 0.000 1.057 44 L CA -2.652 52.194 54.840 0.010 0.000 0.803 44 L CB 0.845 42.931 42.059 0.045 0.000 1.207 44 L HN 0.158 nan 8.230 nan 0.000 0.445 45 P HA 0.029 nan 4.420 nan 0.000 0.261 45 P C -0.135 177.263 177.300 0.164 0.000 1.183 45 P CA 0.437 63.564 63.100 0.044 0.000 0.761 45 P CB 0.134 31.888 31.700 0.090 0.000 0.785 46 F N -0.187 119.789 119.950 0.043 0.000 2.568 46 F HA -0.340 4.188 4.527 0.001 0.000 0.650 46 F C 1.579 177.358 175.800 -0.034 0.000 0.492 46 F CA 1.196 59.159 58.000 -0.062 0.000 0.801 46 F CB -1.842 37.085 39.000 -0.122 0.000 1.661 46 F HN 0.238 nan 8.300 nan 0.000 0.261 47 L N -0.255 121.079 121.223 0.185 0.000 2.341 47 L HA 0.273 4.614 4.340 0.001 0.000 0.214 47 L C 2.050 178.985 176.870 0.107 0.000 1.115 47 L CA 0.778 55.676 54.840 0.096 0.000 0.820 47 L CB -0.966 41.131 42.059 0.063 0.000 0.944 47 L HN 0.643 nan 8.230 nan 0.000 0.452 48 G N 1.283 110.174 108.800 0.152 0.000 2.596 48 G HA2 -0.420 3.540 3.960 0.001 0.000 0.304 48 G HA3 -0.420 3.540 3.960 0.001 0.000 0.304 48 G C 0.353 175.291 174.900 0.062 0.000 1.189 48 G CA 0.768 45.937 45.100 0.115 0.000 0.986 48 G HN 0.448 nan 8.290 nan 0.000 0.548 49 N N 1.119 119.869 118.700 0.085 0.000 2.177 49 N HA 0.331 5.071 4.740 0.001 0.000 0.218 49 N C 2.017 177.299 175.510 -0.380 0.000 1.182 49 N CA 0.538 53.570 53.050 -0.031 0.000 0.882 49 N CB 0.231 38.813 38.487 0.159 0.000 1.052 49 N HN 0.721 nan 8.380 nan 0.000 0.519 50 I N -1.563 118.791 120.570 -0.360 0.000 2.315 50 I HA -0.244 3.927 4.170 0.001 0.000 0.251 50 I C 1.236 177.175 176.117 -0.296 0.000 1.125 50 I CA 1.423 62.368 61.300 -0.592 0.000 1.392 50 I CB -0.353 37.569 38.000 -0.129 0.000 1.065 50 I HN 0.088 nan 8.210 nan 0.000 0.424 51 L N 1.321 122.507 121.223 -0.062 0.000 2.362 51 L HA -0.066 4.274 4.340 0.001 0.000 0.219 51 L C 2.116 179.080 176.870 0.156 0.000 1.134 51 L CA 0.775 55.717 54.840 0.170 0.000 0.807 51 L CB -0.510 41.623 42.059 0.123 0.000 0.927 51 L HN 0.293 nan 8.230 nan 0.000 0.447 52 S N -1.511 114.126 115.700 -0.106 0.000 2.720 52 S HA 0.008 4.478 4.470 0.001 0.000 0.222 52 S C 1.229 175.642 174.600 -0.312 0.000 0.958 52 S CA 0.121 58.239 58.200 -0.136 0.000 0.943 52 S CB -0.313 62.780 63.200 -0.179 0.000 0.779 52 S HN 0.460 nan 8.310 nan 0.000 0.526 53 Y N 1.186 121.341 120.300 -0.242 0.000 2.478 53 Y HA -0.010 4.540 4.550 0.001 0.000 0.261 53 Y C 2.642 178.287 175.900 -0.424 0.000 1.127 53 Y CA -0.048 57.831 58.100 -0.369 0.000 1.288 53 Y CB -0.087 38.261 38.460 -0.187 0.000 1.084 53 Y HN 0.502 nan 8.280 nan 0.000 0.530 54 H N -0.205 118.619 119.070 -0.411 0.000 2.394 54 H HA -0.154 4.403 4.556 0.001 0.000 0.297 54 H C 1.251 176.382 175.328 -0.328 0.000 1.113 54 H CA 1.168 56.811 56.048 -0.675 0.000 1.277 54 H CB -0.207 29.186 29.762 -0.614 0.000 1.370 54 H HN 0.155 nan 8.280 nan 0.000 0.506 55 K N 1.144 121.096 120.400 -0.747 0.000 2.365 55 K HA 0.142 4.463 4.320 0.001 0.000 0.197 55 K C 0.890 177.334 176.600 -0.260 0.000 1.042 55 K CA 0.819 56.844 56.287 -0.436 0.000 0.987 55 K CB 0.150 32.383 32.500 -0.446 0.000 0.779 55 K HN 0.662 nan 8.250 nan 0.000 0.484 56 G N 0.069 108.694 108.800 -0.292 0.000 2.587 56 G HA2 -0.188 3.772 3.960 0.001 0.000 0.686 56 G HA3 -0.188 3.772 3.960 0.001 0.000 0.686 56 G C 0.314 175.052 174.900 -0.270 0.000 1.236 56 G CA -0.626 44.293 45.100 -0.301 0.000 0.820 56 G HN -0.009 nan 8.290 nan 0.000 0.645 57 F N 0.224 120.073 119.950 -0.168 0.000 2.126 57 F HA -0.112 4.416 4.527 0.001 0.000 0.299 57 F C 3.194 178.955 175.800 -0.066 0.000 1.096 57 F CA 2.170 60.104 58.000 -0.110 0.000 1.255 57 F CB -0.674 38.205 39.000 -0.202 0.000 0.997 57 F HN 0.568 nan 8.300 nan 0.000 0.479 58 C N -0.292 118.960 119.300 -0.079 0.000 2.436 58 C HA -0.215 4.245 4.460 0.001 0.000 0.277 58 C C 2.831 177.743 174.990 -0.130 0.000 1.241 58 C CA 1.000 59.788 59.018 -0.384 0.000 1.721 58 C CB -1.007 26.090 27.740 -1.071 0.000 2.043 58 C HN 0.552 nan 8.230 nan 0.000 0.472 59 M N 0.140 119.688 119.600 -0.085 0.000 2.108 59 M HA -0.142 4.338 4.480 0.001 0.000 0.261 59 M C 1.881 178.205 176.300 0.040 0.000 1.066 59 M CA 1.870 57.161 55.300 -0.016 0.000 1.107 59 M CB -0.627 31.943 32.600 -0.051 0.000 1.356 59 M HN 0.440 nan 8.290 nan 0.000 0.406 60 F N 0.457 120.357 119.950 -0.083 0.000 2.102 60 F HA -0.256 4.271 4.527 0.001 0.000 0.298 60 F C 1.652 177.437 175.800 -0.025 0.000 1.105 60 F CA 1.864 59.830 58.000 -0.057 0.000 1.239 60 F CB -0.249 38.748 39.000 -0.005 0.000 0.991 60 F HN 0.176 nan 8.300 nan 0.000 0.474 61 D N 0.142 120.528 120.400 -0.024 0.000 2.144 61 D HA -0.172 4.469 4.640 0.001 0.000 0.200 61 D C 2.371 178.660 176.300 -0.018 0.000 0.978 61 D CA 1.203 55.205 54.000 0.004 0.000 0.833 61 D CB -0.238 40.678 40.800 0.194 0.000 0.961 61 D HN 0.268 nan 8.370 nan 0.000 0.470 62 M N 0.545 120.162 119.600 0.027 0.000 2.067 62 M HA -0.113 4.367 4.480 0.001 0.000 0.260 62 M C 2.048 178.283 176.300 -0.109 0.000 1.069 62 M CA 1.333 56.653 55.300 0.032 0.000 1.117 62 M CB -0.894 31.753 32.600 0.079 0.000 1.334 62 M HN 0.101 nan 8.290 nan 0.000 0.407 63 E N -0.452 119.649 120.200 -0.165 0.000 2.077 63 E HA -0.179 4.172 4.350 0.001 0.000 0.193 63 E C 2.212 178.562 176.600 -0.417 0.000 0.989 63 E CA 1.353 57.610 56.400 -0.237 0.000 0.800 63 E CB -0.068 29.532 29.700 -0.167 0.000 0.746 63 E HN 0.493 nan 8.360 nan 0.000 0.452 64 C N 0.138 119.096 119.300 -0.571 0.000 2.436 64 C HA -0.136 4.325 4.460 0.001 0.000 0.277 64 C C 2.656 176.987 174.990 -1.098 0.000 1.241 64 C CA 1.046 59.554 59.018 -0.851 0.000 1.721 64 C CB -1.062 25.956 27.740 -1.204 0.000 2.043 64 C HN 0.531 nan 8.230 nan 0.000 0.472 65 H N 1.380 119.707 119.070 -1.237 0.000 2.352 65 H HA -0.148 4.408 4.556 0.001 0.000 0.299 65 H C 2.113 177.186 175.328 -0.426 0.000 1.097 65 H CA 2.351 57.868 56.048 -0.886 0.000 1.311 65 H CB -0.263 29.330 29.762 -0.281 0.000 1.377 65 H HN 0.346 nan 8.280 nan 0.000 0.504 66 K N 0.407 120.542 120.400 -0.441 0.000 2.148 66 K HA -0.078 4.243 4.320 0.001 0.000 0.204 66 K C 2.260 178.621 176.600 -0.399 0.000 1.050 66 K CA 1.482 57.529 56.287 -0.399 0.000 0.942 66 K CB -0.023 32.317 32.500 -0.268 0.000 0.724 66 K HN 0.291 nan 8.250 nan 0.000 0.446 67 K N -1.566 118.519 120.400 -0.525 0.000 2.211 67 K HA -0.024 4.297 4.320 0.001 0.000 0.201 67 K C 0.903 177.115 176.600 -0.646 0.000 1.052 67 K CA 0.797 56.694 56.287 -0.650 0.000 0.973 67 K CB 0.158 32.096 32.500 -0.938 0.000 0.766 67 K HN 0.128 nan 8.250 nan 0.000 0.466 68 Y N -0.703 119.424 120.300 -0.290 0.000 2.462 68 Y HA 0.302 4.852 4.550 0.001 0.000 0.253 68 Y C 1.198 177.083 175.900 -0.026 0.000 1.095 68 Y CA 0.173 58.181 58.100 -0.154 0.000 1.283 68 Y CB 0.992 39.350 38.460 -0.170 0.000 1.138 68 Y HN 0.279 nan 8.280 nan 0.000 0.522 69 G N 0.738 109.570 108.800 0.053 0.000 2.545 69 G HA2 -0.328 3.633 3.960 0.001 0.000 0.240 69 G HA3 -0.328 3.633 3.960 0.001 0.000 0.240 69 G C 0.987 176.134 174.900 0.412 0.000 1.172 69 G CA 0.178 45.355 45.100 0.128 0.000 0.949 69 G HN 0.185 nan 8.290 nan 0.000 0.574 70 K N -0.656 119.936 120.400 0.321 0.000 2.147 70 K HA 0.305 4.626 4.320 0.001 0.000 0.205 70 K C 0.723 177.520 176.600 0.328 0.000 1.049 70 K CA 1.556 58.035 56.287 0.320 0.000 0.936 70 K CB 0.009 32.621 32.500 0.187 0.000 0.722 70 K HN 0.410 nan 8.250 nan 0.000 0.446 71 V N 0.050 120.181 119.914 0.361 0.000 2.891 71 V HA 0.392 4.512 4.120 0.001 0.000 0.304 71 V C -1.970 174.331 176.094 0.344 0.000 1.171 71 V CA -0.902 61.514 62.300 0.194 0.000 0.943 71 V CB 1.621 33.489 31.823 0.075 0.000 1.037 71 V HN 0.446 nan 8.190 nan 0.000 0.427 72 W N 3.154 124.403 121.300 -0.085 0.000 3.137 72 W HA 0.887 5.548 4.660 0.001 0.000 0.324 72 W C -0.449 175.820 176.519 -0.416 0.000 1.253 72 W CA -0.761 56.450 57.345 -0.222 0.000 1.183 72 W CB 1.367 30.730 29.460 -0.161 0.000 1.424 72 W HN 0.853 nan 8.180 nan 0.000 0.566 73 G N 1.302 109.736 108.800 -0.610 0.000 2.482 73 G HA2 0.841 4.801 3.960 0.001 0.000 0.317 73 G HA3 0.841 4.801 3.960 0.001 0.000 0.317 73 G C -1.794 172.796 174.900 -0.517 0.000 1.241 73 G CA -0.982 43.233 45.100 -1.474 0.000 0.967 73 G HN 1.092 nan 8.290 nan 0.000 0.482 74 F N -0.937 118.746 119.950 -0.445 0.000 2.789 74 F HA 0.764 5.292 4.527 0.001 0.000 0.319 74 F C -2.068 173.689 175.800 -0.072 0.000 1.168 74 F CA -2.005 55.966 58.000 -0.049 0.000 0.934 74 F CB 1.572 40.746 39.000 0.290 0.000 1.375 74 F HN 0.372 nan 8.300 nan 0.000 0.480 75 Y N 0.279 120.794 120.300 0.358 0.000 2.326 75 Y HA 0.374 4.925 4.550 0.001 0.000 0.329 75 Y C -1.077 174.972 175.900 0.248 0.000 0.973 75 Y CA -0.947 57.287 58.100 0.224 0.000 1.162 75 Y CB 1.393 39.970 38.460 0.196 0.000 1.147 75 Y HN 0.454 nan 8.280 nan 0.000 0.456 76 D N 3.374 123.968 120.400 0.324 0.000 2.468 76 D HA 0.377 5.017 4.640 0.001 0.000 0.218 76 D C 0.944 177.397 176.300 0.256 0.000 1.155 76 D CA 1.038 55.234 54.000 0.326 0.000 0.924 76 D CB 0.738 41.752 40.800 0.357 0.000 1.029 76 D HN 0.885 nan 8.370 nan 0.000 0.515 77 G N 3.328 112.261 108.800 0.222 0.000 2.687 77 G HA2 -0.410 3.550 3.960 0.001 0.000 0.303 77 G HA3 -0.410 3.550 3.960 0.001 0.000 0.303 77 G C 0.865 175.902 174.900 0.227 0.000 1.209 77 G CA 0.487 45.681 45.100 0.158 0.000 0.968 77 G HN 0.485 nan 8.290 nan 0.000 0.549 78 Q N -0.079 119.817 119.800 0.160 0.000 2.247 78 Q HA 0.398 4.738 4.340 0.001 0.000 0.211 78 Q C 0.978 177.112 176.000 0.223 0.000 0.861 78 Q CA 0.742 56.618 55.803 0.121 0.000 0.949 78 Q CB 0.430 29.157 28.738 -0.018 0.000 1.115 78 Q HN 0.573 nan 8.270 nan 0.000 0.507 79 Q N 2.292 122.224 119.800 0.220 0.000 2.296 79 Q HA 0.184 4.525 4.340 0.001 0.000 0.263 79 Q C -2.377 173.722 176.000 0.165 0.000 1.026 79 Q CA -2.509 53.392 55.803 0.165 0.000 0.912 79 Q CB 0.877 29.684 28.738 0.116 0.000 1.198 79 Q HN 0.036 nan 8.270 nan 0.000 0.407 80 P HA 0.069 nan 4.420 nan 0.000 0.276 80 P C -1.069 176.172 177.300 -0.098 0.000 1.235 80 P CA -0.130 62.904 63.100 -0.110 0.000 0.772 80 P CB 1.010 32.526 31.700 -0.307 0.000 0.871 81 V N 5.057 124.808 119.914 -0.271 0.000 2.448 81 V HA 0.303 4.423 4.120 0.001 0.000 0.295 81 V C 0.045 175.856 176.094 -0.472 0.000 1.025 81 V CA -0.751 61.279 62.300 -0.451 0.000 0.859 81 V CB 1.709 32.981 31.823 -0.919 0.000 0.988 81 V HN 0.377 nan 8.190 nan 0.000 0.431 82 L N 5.097 126.162 121.223 -0.265 0.000 2.294 82 L HA 0.836 5.177 4.340 0.001 0.000 0.283 82 L C 0.420 177.049 176.870 -0.401 0.000 1.015 82 L CA -0.253 54.387 54.840 -0.333 0.000 0.831 82 L CB 0.942 42.944 42.059 -0.095 0.000 1.217 82 L HN 0.764 nan 8.230 nan 0.000 0.420 83 A N 6.704 129.134 122.820 -0.649 0.000 2.409 83 A HA 0.610 4.931 4.320 0.001 0.000 0.267 83 A C -0.131 177.013 177.584 -0.734 0.000 1.127 83 A CA -0.361 51.160 52.037 -0.859 0.000 0.795 83 A CB -0.235 17.673 19.000 -1.821 0.000 1.061 83 A HN 0.830 nan 8.150 nan 0.000 0.502 84 I N -0.755 119.528 120.570 -0.479 0.000 2.693 84 I HA 0.768 4.939 4.170 0.001 0.000 0.303 84 I C 0.190 176.173 176.117 -0.223 0.000 1.025 84 I CA -0.622 60.499 61.300 -0.298 0.000 1.086 84 I CB 2.389 40.254 38.000 -0.225 0.000 1.268 84 I HN 0.357 nan 8.210 nan 0.000 0.440 85 T N 0.647 115.142 114.554 -0.099 0.000 3.029 85 T HA 0.106 4.457 4.350 0.001 0.000 0.256 85 T C -0.181 174.544 174.700 0.041 0.000 0.914 85 T CA 0.122 62.215 62.100 -0.012 0.000 0.880 85 T CB -0.012 68.926 68.868 0.116 0.000 1.246 85 T HN 0.822 nan 8.240 nan 0.000 0.523 86 D N 2.155 122.567 120.400 0.019 0.000 2.343 86 D HA 0.218 4.858 4.640 0.001 0.000 0.255 86 D C -1.689 174.598 176.300 -0.022 0.000 1.187 86 D CA -2.031 51.987 54.000 0.030 0.000 0.875 86 D CB 1.697 42.506 40.800 0.015 0.000 1.136 86 D HN -0.012 nan 8.370 nan 0.000 0.469 87 P HA -0.140 nan 4.420 nan 0.000 0.216 87 P C 0.579 177.783 177.300 -0.159 0.000 1.153 87 P CA 0.989 64.060 63.100 -0.048 0.000 0.858 87 P CB 0.213 31.914 31.700 0.002 0.000 0.789 88 D N -1.362 118.967 120.400 -0.118 0.000 2.178 88 D HA -0.156 4.484 4.640 0.001 0.000 0.201 88 D C 1.885 178.080 176.300 -0.176 0.000 0.980 88 D CA 1.113 55.019 54.000 -0.156 0.000 0.842 88 D CB -0.594 40.159 40.800 -0.078 0.000 0.948 88 D HN 0.222 nan 8.370 nan 0.000 0.472 89 M N 0.094 119.612 119.600 -0.137 0.000 2.160 89 M HA -0.054 4.427 4.480 0.001 0.000 0.264 89 M C 2.099 178.275 176.300 -0.205 0.000 1.073 89 M CA 0.990 56.203 55.300 -0.145 0.000 1.142 89 M CB 0.096 32.632 32.600 -0.107 0.000 1.358 89 M HN -0.130 nan 8.290 nan 0.000 0.422 90 I N 0.480 120.935 120.570 -0.192 0.000 2.113 90 I HA -0.399 3.772 4.170 0.001 0.000 0.242 90 I C 2.478 178.454 176.117 -0.236 0.000 1.064 90 I CA 1.793 62.984 61.300 -0.183 0.000 1.320 90 I CB -0.663 37.291 38.000 -0.076 0.000 1.028 90 I HN 0.398 nan 8.210 nan 0.000 0.406 91 K N 0.508 120.636 120.400 -0.453 0.000 2.063 91 K HA -0.206 4.115 4.320 0.001 0.000 0.208 91 K C 2.029 178.463 176.600 -0.276 0.000 1.048 91 K CA 2.144 58.066 56.287 -0.610 0.000 0.928 91 K CB -0.102 31.793 32.500 -1.007 0.000 0.713 91 K HN 0.296 nan 8.250 nan 0.000 0.442 92 T N 0.752 115.166 114.554 -0.234 0.000 2.708 92 T HA -0.152 4.198 4.350 0.001 0.000 0.266 92 T C 1.839 176.459 174.700 -0.134 0.000 1.037 92 T CA 1.686 63.705 62.100 -0.136 0.000 1.146 92 T CB -0.363 68.443 68.868 -0.104 0.000 0.865 92 T HN 0.331 nan 8.240 nan 0.000 0.435 93 V N 0.254 119.981 119.914 -0.312 0.000 2.548 93 V HA 0.080 4.201 4.120 0.001 0.000 0.249 93 V C 2.045 177.990 176.094 -0.249 0.000 1.055 93 V CA 1.324 63.282 62.300 -0.570 0.000 1.065 93 V CB -0.808 30.281 31.823 -1.222 0.000 0.681 93 V HN 0.470 nan 8.190 nan 0.000 0.462 94 L N -0.684 120.443 121.223 -0.160 0.000 2.202 94 L HA 0.104 4.444 4.340 0.001 0.000 0.205 94 L C 2.361 179.222 176.870 -0.015 0.000 1.083 94 L CA 0.937 55.739 54.840 -0.065 0.000 0.790 94 L CB -0.082 41.977 42.059 0.000 0.000 0.942 94 L HN 0.270 nan 8.230 nan 0.000 0.452 95 V N -0.874 119.042 119.914 0.002 0.000 2.721 95 V HA -0.013 4.107 4.120 0.001 0.000 0.236 95 V C 2.167 178.281 176.094 0.032 0.000 1.116 95 V CA 0.641 62.962 62.300 0.036 0.000 1.148 95 V CB -0.057 31.821 31.823 0.091 0.000 0.886 95 V HN 0.202 nan 8.190 nan 0.000 0.490 96 K N 0.435 120.850 120.400 0.026 0.000 2.025 96 K HA -0.061 4.259 4.320 0.001 0.000 0.207 96 K C 1.327 177.983 176.600 0.095 0.000 1.049 96 K CA 1.189 57.508 56.287 0.055 0.000 0.933 96 K CB 0.010 32.527 32.500 0.028 0.000 0.714 96 K HN 0.334 nan 8.250 nan 0.000 0.438 97 E N 0.206 120.478 120.200 0.120 0.000 2.569 97 E HA 0.013 4.364 4.350 0.001 0.000 0.205 97 E C 1.139 177.857 176.600 0.197 0.000 1.006 97 E CA -0.070 56.443 56.400 0.188 0.000 0.985 97 E CB -0.095 29.784 29.700 0.299 0.000 1.060 97 E HN 0.223 nan 8.360 nan 0.000 0.460 98 C N -0.043 119.302 119.300 0.075 0.000 2.418 98 C HA -0.212 4.249 4.460 0.001 0.000 0.280 98 C C 2.261 177.229 174.990 -0.036 0.000 1.223 98 C CA 1.069 60.062 59.018 -0.042 0.000 1.736 98 C CB -0.936 26.654 27.740 -0.251 0.000 2.056 98 C HN 0.518 nan 8.230 nan 0.000 0.459 99 Y N 1.881 122.263 120.300 0.135 0.000 2.200 99 Y HA -0.150 4.401 4.550 0.001 0.000 0.290 99 Y C 3.032 178.974 175.900 0.069 0.000 1.137 99 Y CA 1.765 59.944 58.100 0.131 0.000 1.163 99 Y CB -0.439 38.102 38.460 0.136 0.000 0.988 99 Y HN 0.547 nan 8.280 nan 0.000 0.518 100 S N -1.119 114.697 115.700 0.193 0.000 2.387 100 S HA -0.116 4.354 4.470 0.001 0.000 0.226 100 S C 1.804 176.384 174.600 -0.034 0.000 1.026 100 S CA 1.194 59.443 58.200 0.081 0.000 0.972 100 S CB -0.317 62.924 63.200 0.069 0.000 0.814 100 S HN 0.338 nan 8.310 nan 0.000 0.477 101 V N -1.430 118.410 119.914 -0.123 0.000 3.161 101 V HA 0.486 4.606 4.120 0.001 0.000 0.228 101 V C -0.728 175.046 176.094 -0.533 0.000 1.415 101 V CA -0.316 61.737 62.300 -0.410 0.000 1.285 101 V CB 0.231 31.657 31.823 -0.661 0.000 1.100 101 V HN 0.385 nan 8.190 nan 0.000 0.478 102 F N 1.821 121.739 119.950 -0.052 0.000 2.461 102 F HA 0.499 5.026 4.527 0.001 0.000 0.321 102 F C 1.337 177.062 175.800 -0.126 0.000 1.203 102 F CA 0.127 58.075 58.000 -0.087 0.000 1.238 102 F CB 0.798 39.742 39.000 -0.094 0.000 1.528 102 F HN -0.031 nan 8.300 nan 0.000 0.554 103 T N -1.153 113.387 114.554 -0.024 0.000 3.031 103 T HA 0.090 4.440 4.350 0.001 0.000 0.254 103 T C 0.788 175.331 174.700 -0.262 0.000 1.060 103 T CA 0.540 62.569 62.100 -0.118 0.000 1.135 103 T CB 0.031 68.892 68.868 -0.011 0.000 0.896 103 T HN 0.166 nan 8.240 nan 0.000 0.472 104 N N 1.110 119.715 118.700 -0.158 0.000 2.402 104 N HA 0.460 5.201 4.740 0.001 0.000 0.294 104 N C -0.386 175.052 175.510 -0.121 0.000 1.203 104 N CA -0.621 52.324 53.050 -0.175 0.000 0.838 104 N CB 1.847 40.284 38.487 -0.084 0.000 1.306 104 N HN 0.112 nan 8.380 nan 0.000 0.510 105 R N 0.113 120.543 120.500 -0.116 0.000 2.531 105 R HA 0.307 4.647 4.340 0.001 0.000 0.260 105 R C 0.545 176.837 176.300 -0.013 0.000 1.144 105 R CA -0.733 55.327 56.100 -0.067 0.000 1.171 105 R CB 0.995 31.250 30.300 -0.076 0.000 1.199 105 R HN 0.321 nan 8.270 nan 0.000 0.594 106 R N 2.635 123.141 120.500 0.009 0.000 2.502 106 R HA 0.028 4.369 4.340 0.001 0.000 0.292 106 R C -1.932 174.425 176.300 0.094 0.000 0.998 106 R CA -1.002 55.128 56.100 0.050 0.000 1.056 106 R CB 0.193 30.531 30.300 0.064 0.000 0.939 106 R HN 0.372 nan 8.270 nan 0.000 0.411 107 P HA -0.073 nan 4.420 nan 0.000 0.263 107 P C -0.990 176.421 177.300 0.185 0.000 1.195 107 P CA 0.421 63.592 63.100 0.118 0.000 0.762 107 P CB 0.196 31.940 31.700 0.073 0.000 0.799 108 F N 2.818 122.792 119.950 0.039 0.000 2.520 108 F HA 0.723 5.250 4.527 0.001 0.000 0.322 108 F C -0.072 175.749 175.800 0.034 0.000 1.103 108 F CA 0.114 58.143 58.000 0.049 0.000 0.926 108 F CB 2.217 41.254 39.000 0.062 0.000 1.154 108 F HN 0.606 nan 8.300 nan 0.000 0.453 109 G N 4.297 112.606 108.800 -0.818 0.000 2.342 109 G HA2 0.410 4.371 3.960 0.001 0.000 0.297 109 G HA3 0.410 4.371 3.960 0.001 0.000 0.297 109 G C -3.444 171.123 174.900 -0.556 0.000 1.313 109 G CA -1.031 43.681 45.100 -0.647 0.000 0.830 109 G HN 0.455 nan 8.290 nan 0.000 0.506 110 P HA 0.392 nan 4.420 nan 0.000 0.274 110 P C 0.060 177.207 177.300 -0.256 0.000 1.231 110 P CA -0.171 62.795 63.100 -0.223 0.000 0.790 110 P CB 2.380 34.011 31.700 -0.115 0.000 0.951 111 V N 0.778 120.617 119.914 -0.126 0.000 3.380 111 V HA 0.304 4.424 4.120 0.001 0.000 0.277 111 V C 0.982 177.104 176.094 0.047 0.000 1.590 111 V CA 1.125 63.404 62.300 -0.036 0.000 1.019 111 V CB -0.221 31.650 31.823 0.080 0.000 0.828 111 V HN 0.992 nan 8.190 nan 0.000 0.427 112 G N 1.686 110.513 108.800 0.045 0.000 2.566 112 G HA2 -0.413 3.548 3.960 0.001 0.000 0.280 112 G HA3 -0.413 3.548 3.960 0.001 0.000 0.280 112 G C 0.476 175.438 174.900 0.104 0.000 1.225 112 G CA 0.913 46.078 45.100 0.109 0.000 0.966 112 G HN 1.172 nan 8.290 nan 0.000 0.560 113 F N -0.673 119.350 119.950 0.120 0.000 2.408 113 F HA 0.249 4.776 4.527 0.001 0.000 0.300 113 F C 2.528 178.404 175.800 0.127 0.000 1.090 113 F CA 1.858 59.921 58.000 0.104 0.000 1.427 113 F CB -0.337 38.711 39.000 0.080 0.000 1.070 113 F HN 0.164 nan 8.300 nan 0.000 0.549 114 M N 2.099 121.360 119.600 -0.565 0.000 2.630 114 M HA -0.066 4.415 4.480 0.001 0.000 0.254 114 M C 1.943 178.245 176.300 0.003 0.000 1.092 114 M CA 0.893 55.989 55.300 -0.340 0.000 1.087 114 M CB -0.955 31.468 32.600 -0.294 0.000 1.453 114 M HN 0.473 nan 8.290 nan 0.000 0.509 115 K N -0.617 119.818 120.400 0.058 0.000 2.281 115 K HA -0.067 4.253 4.320 0.001 0.000 0.203 115 K C 1.628 178.303 176.600 0.124 0.000 1.046 115 K CA 1.531 57.884 56.287 0.110 0.000 0.938 115 K CB -0.528 32.031 32.500 0.099 0.000 0.737 115 K HN 0.107 nan 8.250 nan 0.000 0.458 116 S N 1.357 117.131 115.700 0.124 0.000 2.423 116 S HA 0.021 4.492 4.470 0.001 0.000 0.231 116 S C 1.099 175.791 174.600 0.155 0.000 1.014 116 S CA 0.511 58.795 58.200 0.139 0.000 0.965 116 S CB -0.228 63.063 63.200 0.151 0.000 0.785 116 S HN 0.550 nan 8.310 nan 0.000 0.495 117 A N 1.591 124.501 122.820 0.150 0.000 2.531 117 A HA 0.229 4.549 4.320 0.001 0.000 0.236 117 A C 1.305 179.019 177.584 0.218 0.000 1.062 117 A CA -0.128 52.016 52.037 0.178 0.000 0.760 117 A CB -0.296 18.791 19.000 0.146 0.000 0.995 117 A HN 0.429 nan 8.150 nan 0.000 0.501 118 I N 2.317 123.048 120.570 0.268 0.000 2.194 118 I HA -0.280 3.890 4.170 0.001 0.000 0.246 118 I C 2.247 178.579 176.117 0.358 0.000 1.093 118 I CA 2.371 63.879 61.300 0.348 0.000 1.355 118 I CB 0.025 38.250 38.000 0.374 0.000 1.046 118 I HN 0.800 nan 8.210 nan 0.000 0.413 119 S N -0.158 115.689 115.700 0.245 0.000 2.561 119 S HA -0.039 4.432 4.470 0.001 0.000 0.225 119 S C 1.650 176.298 174.600 0.081 0.000 0.977 119 S CA 0.730 59.018 58.200 0.146 0.000 0.926 119 S CB -0.109 63.151 63.200 0.101 0.000 0.769 119 S HN 0.714 nan 8.310 nan 0.000 0.533 120 I N -0.425 120.219 120.570 0.125 0.000 4.439 120 I HA 0.471 4.641 4.170 0.001 0.000 0.331 120 I C 0.656 176.851 176.117 0.130 0.000 1.345 120 I CA -0.361 61.011 61.300 0.119 0.000 1.193 120 I CB 0.324 38.424 38.000 0.167 0.000 1.221 120 I HN 0.282 nan 8.210 nan 0.000 0.429 121 A N 1.373 124.297 122.820 0.173 0.000 2.327 121 A HA 0.455 4.776 4.320 0.001 0.000 0.255 121 A C -0.258 177.436 177.584 0.183 0.000 1.099 121 A CA 0.069 52.229 52.037 0.205 0.000 0.801 121 A CB 0.352 19.523 19.000 0.285 0.000 1.062 121 A HN 0.521 nan 8.150 nan 0.000 0.496 122 E N -0.278 120.044 120.200 0.202 0.000 2.312 122 E HA 0.368 4.719 4.350 0.001 0.000 0.267 122 E C -0.630 176.122 176.600 0.253 0.000 0.894 122 E CA -0.819 55.677 56.400 0.161 0.000 0.773 122 E CB 1.395 31.154 29.700 0.098 0.000 1.241 122 E HN 0.739 nan 8.360 nan 0.000 0.432 123 D N 1.064 121.613 120.400 0.248 0.000 3.740 123 D HA -0.302 4.338 4.640 0.001 0.000 0.147 123 D C 1.098 177.605 176.300 0.346 0.000 0.885 123 D CA 1.646 55.815 54.000 0.282 0.000 1.051 123 D CB -0.331 40.566 40.800 0.163 0.000 0.480 123 D HN 0.542 nan 8.370 nan 0.000 0.469 124 E N 0.807 121.131 120.200 0.206 0.000 2.106 124 E HA -0.101 4.250 4.350 0.001 0.000 0.192 124 E C 1.894 178.565 176.600 0.118 0.000 0.984 124 E CA 1.726 58.209 56.400 0.139 0.000 0.806 124 E CB -0.163 29.586 29.700 0.081 0.000 0.750 124 E HN 0.485 nan 8.360 nan 0.000 0.458 125 E N -0.346 119.939 120.200 0.142 0.000 2.070 125 E HA -0.249 4.102 4.350 0.001 0.000 0.197 125 E C 1.835 178.537 176.600 0.169 0.000 1.004 125 E CA 1.772 58.253 56.400 0.134 0.000 0.805 125 E CB -0.510 29.276 29.700 0.142 0.000 0.744 125 E HN 0.456 nan 8.360 nan 0.000 0.451 126 W N 1.221 122.569 121.300 0.080 0.000 2.388 126 W HA -0.048 4.612 4.660 0.001 0.000 0.294 126 W C 2.097 178.676 176.519 0.101 0.000 1.212 126 W CA 1.748 59.150 57.345 0.093 0.000 1.271 126 W CB -0.224 29.295 29.460 0.098 0.000 1.126 126 W HN 0.013 nan 8.180 nan 0.000 0.535 127 K N 0.528 120.797 120.400 -0.218 0.000 2.032 127 K HA -0.270 4.051 4.320 0.001 0.000 0.209 127 K C 2.396 178.779 176.600 -0.361 0.000 1.048 127 K CA 2.506 58.501 56.287 -0.487 0.000 0.927 127 K CB -0.291 32.146 32.500 -0.105 0.000 0.712 127 K HN 0.341 nan 8.250 nan 0.000 0.441 128 R N 0.412 120.806 120.500 -0.177 0.000 2.073 128 R HA -0.076 4.265 4.340 0.001 0.000 0.229 128 R C 2.212 178.430 176.300 -0.137 0.000 1.120 128 R CA 1.229 57.252 56.100 -0.128 0.000 0.967 128 R CB -0.708 29.554 30.300 -0.063 0.000 0.862 128 R HN 0.114 nan 8.270 nan 0.000 0.436 129 L N 0.628 121.777 121.223 -0.124 0.000 2.042 129 L HA -0.134 4.207 4.340 0.001 0.000 0.210 129 L C 2.986 179.783 176.870 -0.122 0.000 1.076 129 L CA 1.625 56.417 54.840 -0.080 0.000 0.749 129 L CB -0.399 41.671 42.059 0.019 0.000 0.893 129 L HN 0.223 nan 8.230 nan 0.000 0.432 130 R N 0.651 120.969 120.500 -0.303 0.000 2.080 130 R HA -0.176 4.165 4.340 0.001 0.000 0.236 130 R C 2.514 178.727 176.300 -0.146 0.000 1.137 130 R CA 2.122 58.064 56.100 -0.263 0.000 0.943 130 R CB -0.609 29.330 30.300 -0.601 0.000 0.846 130 R HN 0.453 nan 8.270 nan 0.000 0.431 131 S N -0.006 115.586 115.700 -0.181 0.000 2.474 131 S HA -0.104 4.367 4.470 0.001 0.000 0.235 131 S C 1.860 176.406 174.600 -0.090 0.000 0.997 131 S CA 0.944 59.077 58.200 -0.111 0.000 0.949 131 S CB -0.376 62.757 63.200 -0.112 0.000 0.766 131 S HN 0.339 nan 8.310 nan 0.000 0.517 132 L N 1.129 122.293 121.223 -0.099 0.000 2.044 132 L HA 0.239 4.579 4.340 0.001 0.000 0.205 132 L C 2.090 178.896 176.870 -0.106 0.000 1.075 132 L CA 1.623 56.401 54.840 -0.103 0.000 0.747 132 L CB -0.426 41.567 42.059 -0.110 0.000 0.903 132 L HN 0.352 nan 8.230 nan 0.000 0.435 133 L N -1.603 119.579 121.223 -0.070 0.000 2.416 133 L HA 0.042 4.383 4.340 0.001 0.000 0.216 133 L C 2.340 179.200 176.870 -0.018 0.000 1.098 133 L CA 0.603 55.417 54.840 -0.044 0.000 0.840 133 L CB -0.635 41.470 42.059 0.076 0.000 0.981 133 L HN 0.159 nan 8.230 nan 0.000 0.462 134 S N 1.106 116.814 115.700 0.013 0.000 2.389 134 S HA -0.151 4.319 4.470 0.001 0.000 0.231 134 S C -0.552 174.048 174.600 -0.000 0.000 1.052 134 S CA 1.542 59.767 58.200 0.043 0.000 1.053 134 S CB -1.670 61.552 63.200 0.036 0.000 0.886 134 S HN 0.352 nan 8.310 nan 0.000 0.456 135 P HA 0.032 nan 4.420 nan 0.000 0.228 135 P C 1.048 178.278 177.300 -0.117 0.000 1.151 135 P CA 0.948 64.012 63.100 -0.060 0.000 0.770 135 P CB -0.488 31.170 31.700 -0.071 0.000 0.786 136 T N -1.480 112.930 114.554 -0.241 0.000 2.881 136 T HA -0.076 4.274 4.350 0.001 0.000 0.270 136 T C 0.725 175.129 174.700 -0.494 0.000 1.068 136 T CA 1.198 63.013 62.100 -0.476 0.000 1.131 136 T CB -0.648 67.751 68.868 -0.782 0.000 0.871 136 T HN 0.221 nan 8.240 nan 0.000 0.479 137 F N 1.441 121.421 119.950 0.051 0.000 2.805 137 F HA 0.226 4.753 4.527 0.001 0.000 0.317 137 F C 1.013 176.849 175.800 0.060 0.000 1.146 137 F CA -1.054 56.985 58.000 0.064 0.000 1.265 137 F CB 0.117 39.170 39.000 0.088 0.000 0.992 137 F HN -0.024 nan 8.300 nan 0.000 0.511 138 T N -1.638 113.003 114.554 0.146 0.000 2.926 138 T HA 0.173 4.523 4.350 0.001 0.000 0.307 138 T C 0.639 175.376 174.700 0.063 0.000 1.059 138 T CA -0.570 61.583 62.100 0.090 0.000 1.122 138 T CB 1.134 70.021 68.868 0.032 0.000 0.972 138 T HN 0.059 nan 8.240 nan 0.000 0.545 139 S N 2.225 117.948 115.700 0.037 0.000 2.558 139 S HA 0.425 4.896 4.470 0.001 0.000 0.293 139 S C 1.631 176.139 174.600 -0.154 0.000 1.292 139 S CA 0.502 58.646 58.200 -0.094 0.000 1.063 139 S CB -0.052 63.124 63.200 -0.039 0.000 0.831 139 S HN 1.508 nan 8.310 nan 0.000 0.499 140 G N 3.094 111.726 108.800 -0.279 0.000 2.659 140 G HA2 -0.233 3.728 3.960 0.001 0.000 0.212 140 G HA3 -0.233 3.728 3.960 0.001 0.000 0.212 140 G C 1.065 175.902 174.900 -0.104 0.000 1.226 140 G CA 0.224 45.219 45.100 -0.174 0.000 0.739 140 G HN 0.530 nan 8.290 nan 0.000 0.528 141 K N 0.710 121.078 120.400 -0.053 0.000 2.155 141 K HA 0.267 4.587 4.320 0.001 0.000 0.203 141 K C 2.598 179.224 176.600 0.044 0.000 1.052 141 K CA 1.163 57.447 56.287 -0.005 0.000 0.948 141 K CB -0.291 32.210 32.500 0.002 0.000 0.728 141 K HN 0.535 nan 8.250 nan 0.000 0.448 142 L N 0.528 121.784 121.223 0.055 0.000 2.291 142 L HA -0.093 4.247 4.340 0.001 0.000 0.214 142 L C 2.253 179.156 176.870 0.056 0.000 1.120 142 L CA 0.882 55.808 54.840 0.145 0.000 0.799 142 L CB -0.181 42.024 42.059 0.244 0.000 0.925 142 L HN 0.086 nan 8.230 nan 0.000 0.446 143 K N 0.224 120.537 120.400 -0.146 0.000 2.148 143 K HA -0.158 4.162 4.320 0.001 0.000 0.204 143 K C 1.864 178.465 176.600 0.001 0.000 1.050 143 K CA 1.137 57.346 56.287 -0.129 0.000 0.942 143 K CB 0.050 32.404 32.500 -0.243 0.000 0.724 143 K HN 0.329 nan 8.250 nan 0.000 0.446 144 E N 0.111 120.317 120.200 0.009 0.000 2.268 144 E HA -0.128 4.223 4.350 0.001 0.000 0.195 144 E C 1.721 178.367 176.600 0.078 0.000 0.995 144 E CA 0.853 57.275 56.400 0.036 0.000 0.836 144 E CB 0.053 29.768 29.700 0.024 0.000 0.763 144 E HN 0.314 nan 8.360 nan 0.000 0.491 145 M N -0.131 119.539 119.600 0.115 0.000 2.388 145 M HA -0.079 4.402 4.480 0.001 0.000 0.265 145 M C 2.161 178.558 176.300 0.162 0.000 1.088 145 M CA 0.493 55.891 55.300 0.163 0.000 1.134 145 M CB 0.270 33.015 32.600 0.243 0.000 1.384 145 M HN -0.004 nan 8.290 nan 0.000 0.447 146 V N 1.691 121.695 119.914 0.149 0.000 2.255 146 V HA -0.189 3.931 4.120 0.001 0.000 0.247 146 V C -0.497 175.672 176.094 0.124 0.000 1.051 146 V CA 2.113 64.500 62.300 0.144 0.000 1.018 146 V CB -1.994 29.917 31.823 0.148 0.000 0.641 146 V HN 0.326 nan 8.190 nan 0.000 0.445 147 P HA -0.054 nan 4.420 nan 0.000 0.229 147 P C 1.686 179.042 177.300 0.094 0.000 1.160 147 P CA 1.319 64.469 63.100 0.084 0.000 0.777 147 P CB 0.037 31.776 31.700 0.064 0.000 0.814 148 I N -0.725 119.919 120.570 0.123 0.000 2.406 148 I HA -0.128 4.042 4.170 0.001 0.000 0.249 148 I C 2.492 178.756 176.117 0.245 0.000 1.122 148 I CA 0.907 62.304 61.300 0.163 0.000 1.431 148 I CB -0.414 37.690 38.000 0.173 0.000 1.087 148 I HN -0.204 nan 8.210 nan 0.000 0.424 149 I N 0.833 121.545 120.570 0.236 0.000 2.315 149 I HA -0.266 3.904 4.170 0.001 0.000 0.248 149 I C 2.804 179.090 176.117 0.281 0.000 1.117 149 I CA 1.092 62.568 61.300 0.293 0.000 1.404 149 I CB -0.448 37.681 38.000 0.215 0.000 1.071 149 I HN 0.172 nan 8.210 nan 0.000 0.419 150 A N 0.307 123.231 122.820 0.173 0.000 1.896 150 A HA -0.390 3.930 4.320 0.001 0.000 0.220 150 A C 2.292 179.917 177.584 0.068 0.000 1.206 150 A CA 2.470 54.577 52.037 0.118 0.000 0.647 150 A CB -0.972 18.073 19.000 0.074 0.000 0.828 150 A HN 0.527 nan 8.150 nan 0.000 0.455 151 Q N -1.763 118.010 119.800 -0.046 0.000 2.062 151 Q HA -0.262 4.079 4.340 0.001 0.000 0.209 151 Q C 1.934 177.799 176.000 -0.225 0.000 0.996 151 Q CA 2.500 58.158 55.803 -0.242 0.000 0.859 151 Q CB -0.292 28.128 28.738 -0.530 0.000 0.920 151 Q HN 0.835 nan 8.270 nan 0.000 0.415 152 Y N -1.209 119.176 120.300 0.140 0.000 2.373 152 Y HA 0.042 4.592 4.550 0.001 0.000 0.293 152 Y C 2.287 178.393 175.900 0.343 0.000 1.129 152 Y CA 0.806 59.031 58.100 0.208 0.000 1.226 152 Y CB -0.673 37.857 38.460 0.116 0.000 1.000 152 Y HN 0.226 nan 8.280 nan 0.000 0.549 153 G N 0.085 109.143 108.800 0.431 0.000 2.422 153 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 153 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 153 G C 1.243 176.257 174.900 0.189 0.000 1.146 153 G CA 1.329 46.608 45.100 0.299 0.000 0.769 153 G HN 0.268 nan 8.290 nan 0.000 0.547 154 D N 0.169 120.651 120.400 0.136 0.000 2.117 154 D HA -0.075 4.566 4.640 0.001 0.000 0.198 154 D C 2.767 179.130 176.300 0.104 0.000 0.982 154 D CA 0.679 54.733 54.000 0.090 0.000 0.828 154 D CB -0.341 40.481 40.800 0.038 0.000 0.967 154 D HN 0.223 nan 8.370 nan 0.000 0.464 155 V N 1.075 121.062 119.914 0.122 0.000 2.453 155 V HA -0.169 3.951 4.120 0.001 0.000 0.247 155 V C 2.416 178.602 176.094 0.153 0.000 1.048 155 V CA 0.779 63.157 62.300 0.130 0.000 1.049 155 V CB -0.402 31.512 31.823 0.151 0.000 0.672 155 V HN 0.123 nan 8.190 nan 0.000 0.457 156 L N 1.289 122.633 121.223 0.201 0.000 2.012 156 L HA -0.150 4.191 4.340 0.001 0.000 0.210 156 L C 2.586 179.533 176.870 0.129 0.000 1.073 156 L CA 2.664 57.595 54.840 0.152 0.000 0.748 156 L CB -0.694 41.434 42.059 0.114 0.000 0.891 156 L HN 0.312 nan 8.230 nan 0.000 0.431 157 V N -2.063 117.967 119.914 0.193 0.000 2.515 157 V HA -0.203 3.918 4.120 0.001 0.000 0.250 157 V C 2.598 178.849 176.094 0.262 0.000 1.058 157 V CA 1.685 64.184 62.300 0.331 0.000 1.064 157 V CB -0.772 31.240 31.823 0.315 0.000 0.675 157 V HN 0.508 nan 8.190 nan 0.000 0.461 158 R N 0.467 121.059 120.500 0.153 0.000 2.070 158 R HA -0.141 4.200 4.340 0.001 0.000 0.233 158 R C 2.358 178.689 176.300 0.052 0.000 1.137 158 R CA 2.120 58.282 56.100 0.104 0.000 0.945 158 R CB -0.623 29.722 30.300 0.076 0.000 0.845 158 R HN 0.580 nan 8.270 nan 0.000 0.430 159 N N 0.352 119.069 118.700 0.028 0.000 2.037 159 N HA -0.194 4.546 4.740 0.001 0.000 0.196 159 N C 1.507 176.950 175.510 -0.111 0.000 1.034 159 N CA 1.219 54.253 53.050 -0.028 0.000 0.861 159 N CB -0.244 38.228 38.487 -0.025 0.000 1.039 159 N HN 0.019 nan 8.380 nan 0.000 0.427 160 L N 0.783 121.897 121.223 -0.182 0.000 2.141 160 L HA 0.004 4.345 4.340 0.001 0.000 0.209 160 L C 2.236 178.779 176.870 -0.545 0.000 1.094 160 L CA 1.277 55.834 54.840 -0.471 0.000 0.763 160 L CB -0.817 40.816 42.059 -0.710 0.000 0.908 160 L HN 0.174 nan 8.230 nan 0.000 0.437 161 R N -0.669 119.733 120.500 -0.163 0.000 2.073 161 R HA -0.136 4.205 4.340 0.001 0.000 0.234 161 R C 2.421 178.708 176.300 -0.022 0.000 1.134 161 R CA 1.181 57.328 56.100 0.078 0.000 0.952 161 R CB -0.050 30.401 30.300 0.252 0.000 0.850 161 R HN 0.222 nan 8.270 nan 0.000 0.433 162 R N 0.225 120.703 120.500 -0.038 0.000 2.096 162 R HA -0.157 4.183 4.340 0.001 0.000 0.240 162 R C 2.135 178.386 176.300 -0.080 0.000 1.139 162 R CA 1.888 57.962 56.100 -0.044 0.000 0.952 162 R CB -0.196 30.082 30.300 -0.037 0.000 0.854 162 R HN 0.340 nan 8.270 nan 0.000 0.436 163 E N 0.104 120.222 120.200 -0.137 0.000 2.153 163 E HA -0.154 4.197 4.350 0.001 0.000 0.194 163 E C 1.924 178.423 176.600 -0.169 0.000 0.988 163 E CA 1.172 57.475 56.400 -0.161 0.000 0.811 163 E CB -0.136 29.434 29.700 -0.217 0.000 0.746 163 E HN 0.376 nan 8.360 nan 0.000 0.466 164 A N 2.163 124.868 122.820 -0.193 0.000 1.873 164 A HA -0.174 4.146 4.320 0.001 0.000 0.215 164 A C 2.066 179.614 177.584 -0.061 0.000 1.186 164 A CA 1.165 53.121 52.037 -0.136 0.000 0.616 164 A CB -0.260 18.690 19.000 -0.083 0.000 0.823 164 A HN 0.112 nan 8.150 nan 0.000 0.442 165 E N 0.205 120.384 120.200 -0.034 0.000 2.085 165 E HA -0.183 4.168 4.350 0.001 0.000 0.194 165 E C 2.102 178.685 176.600 -0.028 0.000 0.994 165 E CA 1.888 58.278 56.400 -0.017 0.000 0.801 165 E CB -1.035 28.663 29.700 -0.005 0.000 0.743 165 E HN 0.799 nan 8.360 nan 0.000 0.453 166 T N -2.467 112.063 114.554 -0.041 0.000 3.055 166 T HA 0.190 4.541 4.350 0.001 0.000 0.265 166 T C 1.633 176.306 174.700 -0.044 0.000 1.111 166 T CA 0.896 62.973 62.100 -0.039 0.000 1.118 166 T CB 0.016 68.859 68.868 -0.041 0.000 0.909 166 T HN 0.334 nan 8.240 nan 0.000 0.501 167 G N 0.837 109.602 108.800 -0.058 0.000 2.155 167 G HA2 -0.091 3.870 3.960 0.001 0.000 0.257 167 G HA3 -0.091 3.870 3.960 0.001 0.000 0.257 167 G C 0.228 175.089 174.900 -0.065 0.000 0.983 167 G CA 0.551 45.615 45.100 -0.060 0.000 0.676 167 G HN 1.090 nan 8.290 nan 0.000 0.528 168 K N 0.749 121.106 120.400 -0.071 0.000 2.185 168 K HA 0.763 5.084 4.320 0.001 0.000 0.271 168 K C -1.698 174.850 176.600 -0.088 0.000 1.013 168 K CA -0.850 55.395 56.287 -0.068 0.000 0.943 168 K CB 0.269 32.732 32.500 -0.062 0.000 0.998 168 K HN 0.317 nan 8.250 nan 0.000 0.468 169 P HA 0.414 nan 4.420 nan 0.000 0.286 169 P C -0.945 176.306 177.300 -0.081 0.000 1.261 169 P CA -0.555 62.498 63.100 -0.077 0.000 0.821 169 P CB 1.214 32.885 31.700 -0.049 0.000 1.013 170 V N 2.425 122.284 119.914 -0.092 0.000 2.394 170 V HA 0.236 4.356 4.120 0.001 0.000 0.282 170 V C 0.571 176.624 176.094 -0.068 0.000 1.031 170 V CA -0.298 61.943 62.300 -0.099 0.000 0.881 170 V CB 1.018 32.754 31.823 -0.144 0.000 0.982 170 V HN 0.522 nan 8.190 nan 0.000 0.451 171 T N 6.491 121.002 114.554 -0.072 0.000 2.738 171 T HA 0.299 4.649 4.350 0.001 0.000 0.294 171 T C 1.367 176.011 174.700 -0.093 0.000 0.914 171 T CA -0.196 61.865 62.100 -0.064 0.000 1.052 171 T CB 0.385 69.224 68.868 -0.049 0.000 0.897 171 T HN 0.439 nan 8.240 nan 0.000 0.522 172 L N 2.214 123.385 121.223 -0.088 0.000 2.093 172 L HA -0.087 4.254 4.340 0.001 0.000 0.208 172 L C 2.632 179.455 176.870 -0.078 0.000 1.085 172 L CA 1.077 55.838 54.840 -0.132 0.000 0.755 172 L CB -0.461 41.600 42.059 0.003 0.000 0.904 172 L HN 0.468 nan 8.230 nan 0.000 0.435 173 K N 0.577 120.951 120.400 -0.043 0.000 2.032 173 K HA -0.209 4.111 4.320 0.001 0.000 0.209 173 K C 1.665 178.270 176.600 0.008 0.000 1.048 173 K CA 1.736 58.006 56.287 -0.029 0.000 0.927 173 K CB -0.198 32.260 32.500 -0.071 0.000 0.712 173 K HN 0.170 nan 8.250 nan 0.000 0.441 174 D N -0.151 120.245 120.400 -0.007 0.000 2.087 174 D HA -0.172 4.469 4.640 0.001 0.000 0.192 174 D C 1.952 178.265 176.300 0.022 0.000 0.993 174 D CA 2.161 56.174 54.000 0.022 0.000 0.828 174 D CB -0.523 40.273 40.800 -0.005 0.000 0.968 174 D HN 0.247 nan 8.370 nan 0.000 0.448 175 V N -1.466 118.403 119.914 -0.075 0.000 2.323 175 V HA -0.149 3.972 4.120 0.001 0.000 0.244 175 V C 2.345 178.441 176.094 0.003 0.000 1.041 175 V CA 1.284 63.523 62.300 -0.102 0.000 1.025 175 V CB -1.337 30.325 31.823 -0.269 0.000 0.656 175 V HN 0.078 nan 8.190 nan 0.000 0.451 176 F N 2.106 122.069 119.950 0.022 0.000 2.234 176 F HA 0.078 4.606 4.527 0.001 0.000 0.299 176 F C 2.697 178.544 175.800 0.078 0.000 1.087 176 F CA 1.030 59.047 58.000 0.028 0.000 1.340 176 F CB -0.684 38.273 39.000 -0.072 0.000 1.031 176 F HN 0.325 nan 8.300 nan 0.000 0.500 177 G N -0.037 108.884 108.800 0.200 0.000 2.421 177 G HA2 -0.253 3.708 3.960 0.001 0.000 0.216 177 G HA3 -0.253 3.708 3.960 0.001 0.000 0.216 177 G C 1.848 176.958 174.900 0.350 0.000 1.171 177 G CA 0.805 45.998 45.100 0.156 0.000 0.775 177 G HN 0.412 nan 8.290 nan 0.000 0.543 178 A N -0.020 122.969 122.820 0.282 0.000 1.940 178 A HA -0.068 4.252 4.320 0.001 0.000 0.219 178 A C 2.212 179.923 177.584 0.211 0.000 1.176 178 A CA 1.815 53.986 52.037 0.223 0.000 0.631 178 A CB -0.669 18.431 19.000 0.167 0.000 0.814 178 A HN 0.580 nan 8.150 nan 0.000 0.446 179 Y N 0.926 121.310 120.300 0.139 0.000 2.200 179 Y HA -0.145 4.405 4.550 0.001 0.000 0.290 179 Y C 2.608 178.548 175.900 0.066 0.000 1.137 179 Y CA 1.823 59.999 58.100 0.127 0.000 1.163 179 Y CB -0.356 38.225 38.460 0.203 0.000 0.988 179 Y HN 0.270 nan 8.280 nan 0.000 0.518 180 S N 0.465 116.219 115.700 0.089 0.000 2.368 180 S HA -0.221 4.250 4.470 0.001 0.000 0.225 180 S C 1.933 176.509 174.600 -0.039 0.000 1.030 180 S CA 1.558 59.728 58.200 -0.050 0.000 0.999 180 S CB -0.489 62.731 63.200 0.033 0.000 0.844 180 S HN 0.572 nan 8.310 nan 0.000 0.459 181 M N 2.315 121.971 119.600 0.093 0.000 2.080 181 M HA -0.122 4.359 4.480 0.001 0.000 0.260 181 M C 1.274 177.495 176.300 -0.132 0.000 1.068 181 M CA 1.624 56.962 55.300 0.064 0.000 1.109 181 M CB -0.748 31.919 32.600 0.110 0.000 1.342 181 M HN 0.000 nan 8.290 nan 0.000 0.405 182 D N -0.607 119.643 120.400 -0.249 0.000 2.116 182 D HA -0.163 4.477 4.640 0.001 0.000 0.193 182 D C 2.111 177.987 176.300 -0.707 0.000 0.998 182 D CA 1.765 55.434 54.000 -0.552 0.000 0.836 182 D CB -0.471 39.903 40.800 -0.710 0.000 0.951 182 D HN 0.281 nan 8.370 nan 0.000 0.449 183 V N 1.090 120.637 119.914 -0.610 0.000 2.261 183 V HA -0.203 3.917 4.120 0.001 0.000 0.246 183 V C 2.436 178.479 176.094 -0.086 0.000 1.047 183 V CA 0.970 63.040 62.300 -0.384 0.000 1.015 183 V CB -0.196 31.395 31.823 -0.387 0.000 0.642 183 V HN 0.245 nan 8.190 nan 0.000 0.446 184 I N 0.966 121.532 120.570 -0.006 0.000 2.394 184 I HA -0.169 4.001 4.170 0.001 0.000 0.251 184 I C 2.627 178.773 176.117 0.047 0.000 1.136 184 I CA 2.374 63.711 61.300 0.060 0.000 1.425 184 I CB -0.895 37.172 38.000 0.111 0.000 1.079 184 I HN 0.589 nan 8.210 nan 0.000 0.425 185 T N -1.518 113.050 114.554 0.023 0.000 2.770 185 T HA -0.116 4.234 4.350 0.001 0.000 0.263 185 T C 2.138 176.898 174.700 0.100 0.000 1.039 185 T CA 1.450 63.617 62.100 0.113 0.000 1.142 185 T CB -0.794 67.980 68.868 -0.158 0.000 0.868 185 T HN 0.407 nan 8.240 nan 0.000 0.435 186 S N 2.515 118.193 115.700 -0.037 0.000 2.356 186 S HA -0.185 4.285 4.470 0.001 0.000 0.223 186 S C 2.418 177.057 174.600 0.065 0.000 1.032 186 S CA 1.856 60.079 58.200 0.038 0.000 1.005 186 S CB -1.699 61.541 63.200 0.065 0.000 0.867 186 S HN 0.808 nan 8.310 nan 0.000 0.449 187 T N -1.084 113.494 114.554 0.040 0.000 2.951 187 T HA 0.084 4.434 4.350 0.001 0.000 0.268 187 T C 1.947 176.623 174.700 -0.041 0.000 1.073 187 T CA 1.416 63.543 62.100 0.045 0.000 1.134 187 T CB -0.630 68.305 68.868 0.112 0.000 0.884 187 T HN 0.368 nan 8.240 nan 0.000 0.479 188 S N 0.337 115.963 115.700 -0.123 0.000 2.404 188 S HA 0.328 4.798 4.470 0.001 0.000 0.223 188 S C 1.022 175.391 174.600 -0.386 0.000 1.040 188 S CA 0.301 58.295 58.200 -0.343 0.000 0.957 188 S CB -0.194 62.591 63.200 -0.690 0.000 0.826 188 S HN 0.599 nan 8.310 nan 0.000 0.491 189 F N 0.627 120.613 119.950 0.061 0.000 2.682 189 F HA 0.359 4.886 4.527 0.001 0.000 0.308 189 F C 1.602 177.418 175.800 0.026 0.000 1.093 189 F CA 0.065 58.096 58.000 0.051 0.000 1.244 189 F CB 0.222 39.249 39.000 0.045 0.000 1.052 189 F HN 0.269 nan 8.300 nan 0.000 0.573 190 G N 1.627 110.517 108.800 0.150 0.000 2.249 190 G HA2 -0.244 3.717 3.960 0.001 0.000 0.273 190 G HA3 -0.244 3.717 3.960 0.001 0.000 0.273 190 G C -0.301 174.666 174.900 0.112 0.000 1.036 190 G CA 0.313 45.478 45.100 0.108 0.000 0.824 190 G HN 0.207 nan 8.290 nan 0.000 0.504 191 V N -0.044 119.943 119.914 0.123 0.000 2.680 191 V HA 0.571 4.692 4.120 0.001 0.000 0.309 191 V C 0.009 176.148 176.094 0.075 0.000 1.052 191 V CA -1.058 61.293 62.300 0.085 0.000 0.908 191 V CB 2.070 33.927 31.823 0.056 0.000 1.001 191 V HN 0.375 nan 8.190 nan 0.000 0.431 192 N N 3.463 122.219 118.700 0.093 0.000 2.500 192 N HA 0.301 5.042 4.740 0.001 0.000 0.236 192 N C 0.382 175.939 175.510 0.077 0.000 1.022 192 N CA -0.526 52.606 53.050 0.136 0.000 0.935 192 N CB 0.750 39.341 38.487 0.172 0.000 1.147 192 N HN 0.688 nan 8.380 nan 0.000 0.512 193 I N -1.263 119.311 120.570 0.006 0.000 3.793 193 I HA 0.303 4.473 4.170 0.001 0.000 0.315 193 I C 0.246 176.399 176.117 0.059 0.000 1.275 193 I CA -0.145 61.144 61.300 -0.019 0.000 1.214 193 I CB -0.204 37.639 38.000 -0.262 0.000 1.018 193 I HN 0.296 nan 8.210 nan 0.000 0.439 194 D N 2.051 122.521 120.400 0.117 0.000 2.740 194 D HA -0.240 4.400 4.640 0.001 0.000 0.231 194 D C 1.307 177.683 176.300 0.125 0.000 1.194 194 D CA 0.905 55.000 54.000 0.158 0.000 0.673 194 D CB -0.343 40.534 40.800 0.128 0.000 0.995 194 D HN 0.545 nan 8.370 nan 0.000 0.411 195 S N 0.023 115.783 115.700 0.100 0.000 2.406 195 S HA -0.098 4.372 4.470 0.001 0.000 0.228 195 S C 1.713 176.384 174.600 0.118 0.000 1.020 195 S CA 0.483 58.741 58.200 0.097 0.000 0.965 195 S CB 0.050 63.286 63.200 0.061 0.000 0.798 195 S HN 0.373 nan 8.310 nan 0.000 0.488 196 L N 2.069 123.383 121.223 0.152 0.000 2.622 196 L HA 0.300 4.640 4.340 0.001 0.000 0.233 196 L C 0.976 177.922 176.870 0.127 0.000 1.156 196 L CA 1.087 56.027 54.840 0.167 0.000 0.866 196 L CB -0.755 41.454 42.059 0.250 0.000 0.980 196 L HN 0.311 nan 8.230 nan 0.000 0.448 197 N N -0.366 118.401 118.700 0.111 0.000 2.299 197 N HA 0.115 4.855 4.740 0.001 0.000 0.246 197 N C -0.542 175.009 175.510 0.068 0.000 1.254 197 N CA -0.104 52.995 53.050 0.081 0.000 0.879 197 N CB 0.096 38.629 38.487 0.076 0.000 1.214 197 N HN 0.287 nan 8.380 nan 0.000 0.510 198 N N -0.000 118.743 118.700 0.073 0.000 2.609 198 N HA 0.284 5.025 4.740 0.001 0.000 0.268 198 N C -2.346 173.197 175.510 0.055 0.000 1.106 198 N CA -1.753 51.334 53.050 0.062 0.000 0.823 198 N CB 1.403 39.934 38.487 0.072 0.000 1.263 198 N HN -0.106 nan 8.380 nan 0.000 0.533 199 P HA -0.136 nan 4.420 nan 0.000 0.228 199 P C 0.430 177.746 177.300 0.026 0.000 1.151 199 P CA 1.054 64.174 63.100 0.032 0.000 0.770 199 P CB 0.205 31.917 31.700 0.020 0.000 0.786 200 Q N -0.072 119.742 119.800 0.025 0.000 2.172 200 Q HA 0.091 4.431 4.340 0.001 0.000 0.217 200 Q C -0.266 175.741 176.000 0.011 0.000 0.832 200 Q CA -0.323 55.486 55.803 0.009 0.000 1.010 200 Q CB -0.621 28.120 28.738 0.005 0.000 1.133 200 Q HN -0.066 nan 8.270 nan 0.000 0.489 201 D N 1.662 122.087 120.400 0.040 0.000 2.662 201 D HA -0.082 4.559 4.640 0.001 0.000 0.237 201 D C -1.273 175.042 176.300 0.024 0.000 1.154 201 D CA -0.706 53.340 54.000 0.077 0.000 0.861 201 D CB 1.195 42.064 40.800 0.115 0.000 1.146 201 D HN 0.198 nan 8.370 nan 0.000 0.518 202 P HA -0.153 nan 4.420 nan 0.000 0.222 202 P C 1.273 178.325 177.300 -0.413 0.000 1.147 202 P CA 0.897 63.823 63.100 -0.290 0.000 0.790 202 P CB 0.025 31.526 31.700 -0.331 0.000 0.780 203 F N 0.436 120.375 119.950 -0.019 0.000 2.031 203 F HA -0.178 4.349 4.527 0.001 0.000 0.295 203 F C 2.634 178.380 175.800 -0.091 0.000 1.133 203 F CA 1.367 59.434 58.000 0.112 0.000 1.188 203 F CB -1.368 37.713 39.000 0.135 0.000 0.974 203 F HN -0.313 nan 8.300 nan 0.000 0.473 204 V N -0.165 119.773 119.914 0.040 0.000 2.392 204 V HA -0.277 3.843 4.120 0.001 0.000 0.249 204 V C 2.376 178.331 176.094 -0.232 0.000 1.059 204 V CA 1.866 64.016 62.300 -0.251 0.000 1.051 204 V CB -0.503 31.237 31.823 -0.137 0.000 0.658 204 V HN 0.297 nan 8.190 nan 0.000 0.455 205 E N 0.308 120.414 120.200 -0.156 0.000 2.051 205 E HA -0.176 4.175 4.350 0.001 0.000 0.192 205 E C 2.137 178.641 176.600 -0.161 0.000 0.991 205 E CA 1.350 57.659 56.400 -0.152 0.000 0.799 205 E CB -0.403 29.191 29.700 -0.176 0.000 0.748 205 E HN 0.666 nan 8.360 nan 0.000 0.449 206 N N -0.248 118.304 118.700 -0.245 0.000 2.250 206 N HA -0.058 4.683 4.740 0.001 0.000 0.181 206 N C 1.750 177.247 175.510 -0.021 0.000 1.017 206 N CA 1.148 54.095 53.050 -0.172 0.000 0.866 206 N CB -0.074 38.222 38.487 -0.318 0.000 0.985 206 N HN 0.111 nan 8.380 nan 0.000 0.429 207 T N 1.889 116.429 114.554 -0.022 0.000 2.821 207 T HA -0.125 4.225 4.350 0.001 0.000 0.267 207 T C 1.860 176.650 174.700 0.151 0.000 1.046 207 T CA 1.177 63.322 62.100 0.075 0.000 1.139 207 T CB -0.051 68.811 68.868 -0.011 0.000 0.871 207 T HN 0.467 nan 8.240 nan 0.000 0.454 208 K N 1.316 121.718 120.400 0.003 0.000 2.504 208 K HA 0.074 4.394 4.320 0.001 0.000 0.195 208 K C 1.762 178.492 176.600 0.218 0.000 1.036 208 K CA 1.021 57.415 56.287 0.179 0.000 0.984 208 K CB 0.023 32.605 32.500 0.137 0.000 0.788 208 K HN 0.133 nan 8.250 nan 0.000 0.488 209 K N 0.189 120.683 120.400 0.156 0.000 2.379 209 K HA 0.076 4.396 4.320 0.001 0.000 0.194 209 K C 1.313 178.017 176.600 0.174 0.000 1.031 209 K CA -0.044 56.327 56.287 0.140 0.000 1.037 209 K CB 0.137 32.684 32.500 0.079 0.000 0.824 209 K HN 0.039 nan 8.250 nan 0.000 0.516 210 L N 1.011 122.354 121.223 0.200 0.000 2.450 210 L HA -0.032 4.309 4.340 0.001 0.000 0.224 210 L C 0.018 176.980 176.870 0.154 0.000 1.149 210 L CA 1.365 56.285 54.840 0.133 0.000 0.816 210 L CB 0.041 42.094 42.059 -0.010 0.000 0.932 210 L HN 0.013 nan 8.230 nan 0.000 0.449 211 L N 0.821 122.148 121.223 0.173 0.000 2.454 211 L HA 0.411 4.752 4.340 0.001 0.000 0.258 211 L C -0.743 176.239 176.870 0.186 0.000 1.025 211 L CA -0.256 54.685 54.840 0.168 0.000 0.901 211 L CB 0.470 42.580 42.059 0.085 0.000 1.210 211 L HN -0.087 nan 8.230 nan 0.000 0.457 212 R N 3.218 123.834 120.500 0.194 0.000 2.349 212 R HA 0.570 4.910 4.340 0.001 0.000 0.299 212 R C -1.233 175.161 176.300 0.156 0.000 1.027 212 R CA -0.414 55.789 56.100 0.172 0.000 0.958 212 R CB 1.430 31.823 30.300 0.155 0.000 1.047 212 R HN 0.441 nan 8.270 nan 0.000 0.468 213 F N 0.862 120.776 119.950 -0.061 0.000 2.615 213 F HA 0.281 4.808 4.527 0.001 0.000 0.312 213 F C -1.446 174.329 175.800 -0.042 0.000 1.119 213 F CA -0.793 57.100 58.000 -0.178 0.000 0.979 213 F CB 2.028 40.916 39.000 -0.186 0.000 1.266 213 F HN 0.478 nan 8.300 nan 0.000 0.444 214 D N 4.754 124.714 120.400 -0.732 0.000 2.527 214 D HA 0.258 4.899 4.640 0.001 0.000 0.233 214 D C 0.287 176.060 176.300 -0.879 0.000 1.063 214 D CA -0.527 53.186 54.000 -0.478 0.000 0.880 214 D CB 1.478 42.166 40.800 -0.186 0.000 1.457 214 D HN 0.380 nan 8.370 nan 0.000 0.475 215 F N 1.526 121.247 119.950 -0.381 0.000 2.046 215 F HA -0.053 4.474 4.527 0.001 0.000 0.297 215 F C 0.746 176.458 175.800 -0.147 0.000 1.123 215 F CA 1.032 58.930 58.000 -0.169 0.000 1.199 215 F CB 0.026 39.040 39.000 0.023 0.000 0.972 215 F HN 0.277 nan 8.300 nan 0.000 0.474 216 L N 2.439 123.434 121.223 -0.381 0.000 2.556 216 L HA 0.304 4.644 4.340 0.001 0.000 0.245 216 L C -0.944 175.824 176.870 -0.169 0.000 1.174 216 L CA -0.248 54.363 54.840 -0.381 0.000 1.117 216 L CB -1.239 40.696 42.059 -0.207 0.000 1.409 216 L HN 0.120 nan 8.230 nan 0.000 0.411 217 D N 4.228 124.519 120.400 -0.182 0.000 2.411 217 D HA 0.260 4.901 4.640 0.001 0.000 0.225 217 D C -1.674 174.659 176.300 0.055 0.000 1.156 217 D CA -1.969 52.024 54.000 -0.012 0.000 0.874 217 D CB 1.841 42.690 40.800 0.082 0.000 1.034 217 D HN 0.276 nan 8.370 nan 0.000 0.502 218 P HA -0.204 nan 4.420 nan 0.000 0.218 218 P C 1.508 178.832 177.300 0.040 0.000 1.146 218 P CA 0.746 63.857 63.100 0.018 0.000 0.820 218 P CB 0.031 31.743 31.700 0.019 0.000 0.778 219 F N 0.013 119.930 119.950 -0.056 0.000 2.075 219 F HA -0.156 4.372 4.527 0.001 0.000 0.297 219 F C 2.117 177.790 175.800 -0.213 0.000 1.113 219 F CA 1.639 59.541 58.000 -0.165 0.000 1.218 219 F CB -0.901 37.948 39.000 -0.252 0.000 0.984 219 F HN -0.276 nan 8.300 nan 0.000 0.472 220 F N -0.574 119.475 119.950 0.165 0.000 2.325 220 F HA -0.085 4.442 4.527 0.001 0.000 0.299 220 F C 2.047 177.830 175.800 -0.029 0.000 1.090 220 F CA 0.652 58.706 58.000 0.090 0.000 1.392 220 F CB -0.670 38.428 39.000 0.163 0.000 1.053 220 F HN 0.037 nan 8.300 nan 0.000 0.521 221 L N -0.641 120.630 121.223 0.080 0.000 2.072 221 L HA -0.131 4.210 4.340 0.001 0.000 0.205 221 L C 2.329 179.155 176.870 -0.074 0.000 1.079 221 L CA 1.640 56.466 54.840 -0.024 0.000 0.752 221 L CB -0.799 41.201 42.059 -0.099 0.000 0.906 221 L HN -0.077 nan 8.230 nan 0.000 0.436 222 S N -0.716 114.922 115.700 -0.103 0.000 2.406 222 S HA -0.061 4.409 4.470 0.001 0.000 0.228 222 S C 1.962 176.472 174.600 -0.149 0.000 1.020 222 S CA 1.271 59.422 58.200 -0.082 0.000 0.965 222 S CB -0.313 62.834 63.200 -0.088 0.000 0.798 222 S HN 0.438 nan 8.310 nan 0.000 0.488 223 I N 1.389 121.786 120.570 -0.289 0.000 2.676 223 I HA -0.133 4.038 4.170 0.001 0.000 0.259 223 I C 1.780 177.814 176.117 -0.138 0.000 1.194 223 I CA 0.972 62.080 61.300 -0.320 0.000 1.473 223 I CB 0.020 37.695 38.000 -0.541 0.000 1.096 223 I HN 0.272 nan 8.210 nan 0.000 0.443 224 T N -0.961 113.558 114.554 -0.059 0.000 2.983 224 T HA -0.002 4.349 4.350 0.001 0.000 0.250 224 T C 1.823 176.504 174.700 -0.032 0.000 1.037 224 T CA 0.751 62.865 62.100 0.023 0.000 1.142 224 T CB 0.005 68.945 68.868 0.120 0.000 0.876 224 T HN 0.066 nan 8.240 nan 0.000 0.455 225 V N 0.510 120.333 119.914 -0.152 0.000 2.453 225 V HA 0.089 4.209 4.120 0.001 0.000 0.247 225 V C 0.405 176.213 176.094 -0.476 0.000 1.048 225 V CA 1.188 63.283 62.300 -0.342 0.000 1.049 225 V CB -0.488 31.009 31.823 -0.543 0.000 0.672 225 V HN 0.442 nan 8.190 nan 0.000 0.457 226 F N 1.080 121.002 119.950 -0.047 0.000 2.363 226 F HA 0.390 4.917 4.527 0.001 0.000 0.366 226 F C -1.604 174.008 175.800 -0.314 0.000 1.083 226 F CA -1.845 56.070 58.000 -0.142 0.000 1.176 226 F CB 1.187 39.956 39.000 -0.386 0.000 1.432 226 F HN 0.044 nan 8.300 nan 0.000 0.482 227 P HA -0.138 nan 4.420 nan 0.000 0.233 227 P C 1.559 178.841 177.300 -0.029 0.000 1.167 227 P CA 0.775 63.861 63.100 -0.023 0.000 0.770 227 P CB -0.236 31.497 31.700 0.056 0.000 0.837 228 F N -1.244 118.739 119.950 0.056 0.000 2.333 228 F HA -0.066 4.461 4.527 0.001 0.000 0.300 228 F C 1.638 177.429 175.800 -0.015 0.000 1.083 228 F CA 0.532 58.544 58.000 0.021 0.000 1.395 228 F CB -1.700 37.318 39.000 0.030 0.000 1.056 228 F HN -0.278 nan 8.300 nan 0.000 0.529 229 L N 1.187 122.002 121.223 -0.680 0.000 2.083 229 L HA -0.145 4.196 4.340 0.001 0.000 0.209 229 L C 2.377 179.092 176.870 -0.258 0.000 1.083 229 L CA 1.095 55.631 54.840 -0.506 0.000 0.752 229 L CB -1.148 40.553 42.059 -0.597 0.000 0.899 229 L HN 0.290 nan 8.230 nan 0.000 0.433 230 I N 0.024 120.464 120.570 -0.217 0.000 2.087 230 I HA -0.306 3.864 4.170 0.001 0.000 0.240 230 I C -0.202 175.857 176.117 -0.098 0.000 1.054 230 I CA 1.620 62.820 61.300 -0.167 0.000 1.311 230 I CB -1.884 36.033 38.000 -0.138 0.000 1.024 230 I HN 0.203 nan 8.210 nan 0.000 0.402 231 P HA -0.165 nan 4.420 nan 0.000 0.216 231 P C 1.824 179.116 177.300 -0.014 0.000 1.150 231 P CA 1.648 64.741 63.100 -0.013 0.000 0.843 231 P CB -0.067 31.645 31.700 0.021 0.000 0.787 232 I N -1.468 119.090 120.570 -0.020 0.000 2.142 232 I HA -0.226 3.944 4.170 0.001 0.000 0.240 232 I C 2.371 178.468 176.117 -0.034 0.000 1.078 232 I CA 1.378 62.667 61.300 -0.018 0.000 1.343 232 I CB -0.909 37.081 38.000 -0.016 0.000 1.046 232 I HN -0.139 nan 8.210 nan 0.000 0.405 233 L N 0.351 121.534 121.223 -0.067 0.000 2.079 233 L HA -0.246 4.095 4.340 0.001 0.000 0.210 233 L C 2.574 179.426 176.870 -0.030 0.000 1.081 233 L CA 1.338 56.145 54.840 -0.055 0.000 0.752 233 L CB -0.548 41.459 42.059 -0.088 0.000 0.896 233 L HN 0.271 nan 8.230 nan 0.000 0.433 234 E N -0.050 120.129 120.200 -0.035 0.000 2.085 234 E HA -0.189 4.161 4.350 0.001 0.000 0.194 234 E C 2.139 178.743 176.600 0.005 0.000 0.994 234 E CA 1.252 57.643 56.400 -0.015 0.000 0.801 234 E CB -0.037 29.654 29.700 -0.016 0.000 0.743 234 E HN 0.195 nan 8.360 nan 0.000 0.453 235 V N 0.627 120.543 119.914 0.003 0.000 2.515 235 V HA -0.182 3.938 4.120 0.001 0.000 0.250 235 V C 1.714 177.815 176.094 0.012 0.000 1.058 235 V CA 1.291 63.598 62.300 0.011 0.000 1.064 235 V CB -0.387 31.442 31.823 0.009 0.000 0.675 235 V HN 0.324 nan 8.190 nan 0.000 0.461 236 L N 0.311 121.538 121.223 0.006 0.000 2.688 236 L HA 0.283 4.624 4.340 0.001 0.000 0.234 236 L C 0.750 177.629 176.870 0.015 0.000 1.192 236 L CA 0.068 54.913 54.840 0.008 0.000 0.984 236 L CB -1.004 41.056 42.059 0.001 0.000 1.232 236 L HN 0.434 nan 8.230 nan 0.000 0.465 237 N N 0.711 119.425 118.700 0.023 0.000 2.693 237 N HA -0.179 4.561 4.740 0.001 0.000 0.249 237 N C 0.141 175.671 175.510 0.033 0.000 1.119 237 N CA 0.516 53.588 53.050 0.036 0.000 0.717 237 N CB -0.588 37.923 38.487 0.040 0.000 1.071 237 N HN 0.287 nan 8.380 nan 0.000 0.555 238 I N 0.659 121.241 120.570 0.020 0.000 2.474 238 I HA 0.137 4.308 4.170 0.001 0.000 0.287 238 I C 1.014 177.131 176.117 0.000 0.000 1.048 238 I CA -0.048 61.261 61.300 0.015 0.000 1.383 238 I CB 1.225 39.244 38.000 0.031 0.000 1.412 238 I HN 0.108 nan 8.210 nan 0.000 0.531 239 C N 5.642 124.925 119.300 -0.028 0.000 2.712 239 C HA 0.428 4.888 4.460 0.001 0.000 0.308 239 C C 1.615 176.479 174.990 -0.210 0.000 1.201 239 C CA -0.464 58.514 59.018 -0.067 0.000 1.554 239 C CB 1.754 29.519 27.740 0.041 0.000 2.117 239 C HN 0.719 nan 8.230 nan 0.000 0.480 240 V N 2.667 122.357 119.914 -0.374 0.000 2.427 240 V HA 0.006 4.127 4.120 0.001 0.000 0.248 240 V C 0.581 176.413 176.094 -0.438 0.000 1.051 240 V CA 1.477 63.449 62.300 -0.548 0.000 1.048 240 V CB -0.516 30.917 31.823 -0.651 0.000 0.666 240 V HN 0.722 nan 8.190 nan 0.000 0.456 241 F N 1.364 121.325 119.950 0.019 0.000 2.384 241 F HA 0.410 4.938 4.527 0.001 0.000 0.338 241 F C -1.705 174.107 175.800 0.019 0.000 1.103 241 F CA -2.878 55.145 58.000 0.038 0.000 1.157 241 F CB -0.265 38.762 39.000 0.045 0.000 1.167 241 F HN -0.015 nan 8.300 nan 0.000 0.529 242 P HA 0.010 nan 4.420 nan 0.000 0.263 242 P C 0.458 177.846 177.300 0.146 0.000 1.195 242 P CA 0.048 63.221 63.100 0.121 0.000 0.762 242 P CB 0.813 32.573 31.700 0.100 0.000 0.799 243 R N 2.861 123.429 120.500 0.113 0.000 2.105 243 R HA -0.196 4.145 4.340 0.001 0.000 0.239 243 R C 2.064 178.428 176.300 0.105 0.000 1.135 243 R CA 1.697 57.869 56.100 0.121 0.000 0.967 243 R CB -0.172 30.180 30.300 0.086 0.000 0.861 243 R HN 0.535 nan 8.270 nan 0.000 0.442 244 E N -0.439 119.808 120.200 0.079 0.000 2.160 244 E HA -0.175 4.175 4.350 0.001 0.000 0.195 244 E C 1.640 178.291 176.600 0.085 0.000 0.991 244 E CA 1.440 57.878 56.400 0.064 0.000 0.810 244 E CB 0.190 29.910 29.700 0.035 0.000 0.742 244 E HN 0.209 nan 8.360 nan 0.000 0.466 245 V N 0.567 120.539 119.914 0.098 0.000 2.407 245 V HA -0.205 3.916 4.120 0.001 0.000 0.245 245 V C 2.649 178.839 176.094 0.160 0.000 1.041 245 V CA 1.947 64.315 62.300 0.114 0.000 1.040 245 V CB -0.594 31.291 31.823 0.103 0.000 0.671 245 V HN 0.549 nan 8.190 nan 0.000 0.455 246 T N -1.171 113.483 114.554 0.168 0.000 2.746 246 T HA -0.210 4.140 4.350 0.001 0.000 0.267 246 T C 1.767 176.551 174.700 0.140 0.000 1.039 246 T CA 1.720 63.943 62.100 0.205 0.000 1.142 246 T CB -0.543 68.526 68.868 0.336 0.000 0.866 246 T HN 0.370 nan 8.240 nan 0.000 0.444 247 N N 1.164 119.930 118.700 0.110 0.000 2.036 247 N HA -0.054 4.686 4.740 0.001 0.000 0.195 247 N C 1.393 176.922 175.510 0.032 0.000 1.037 247 N CA 1.514 54.593 53.050 0.049 0.000 0.855 247 N CB -0.902 37.617 38.487 0.054 0.000 1.033 247 N HN 0.542 nan 8.380 nan 0.000 0.423 248 F N 1.206 121.119 119.950 -0.062 0.000 2.046 248 F HA -0.190 4.337 4.527 0.001 0.000 0.297 248 F C 1.978 177.690 175.800 -0.146 0.000 1.123 248 F CA 1.115 59.041 58.000 -0.123 0.000 1.199 248 F CB -0.411 38.500 39.000 -0.149 0.000 0.972 248 F HN -0.069 nan 8.300 nan 0.000 0.474 249 L N 0.929 122.139 121.223 -0.022 0.000 2.013 249 L HA -0.237 4.104 4.340 0.001 0.000 0.212 249 L C 2.535 179.318 176.870 -0.144 0.000 1.073 249 L CA 1.803 56.589 54.840 -0.090 0.000 0.753 249 L CB -1.301 40.823 42.059 0.109 0.000 0.890 249 L HN 0.153 nan 8.230 nan 0.000 0.432 250 R N -0.837 119.609 120.500 -0.089 0.000 2.073 250 R HA -0.186 4.154 4.340 0.001 0.000 0.234 250 R C 2.304 178.496 176.300 -0.179 0.000 1.134 250 R CA 1.531 57.554 56.100 -0.127 0.000 0.952 250 R CB -0.310 29.890 30.300 -0.167 0.000 0.850 250 R HN 0.257 nan 8.270 nan 0.000 0.433 251 K N -0.034 120.233 120.400 -0.222 0.000 2.148 251 K HA -0.025 4.296 4.320 0.001 0.000 0.204 251 K C 1.970 178.399 176.600 -0.285 0.000 1.050 251 K CA 1.259 57.411 56.287 -0.225 0.000 0.942 251 K CB 0.207 32.584 32.500 -0.204 0.000 0.724 251 K HN 0.058 nan 8.250 nan 0.000 0.446 252 S N 0.146 115.579 115.700 -0.444 0.000 2.371 252 S HA -0.088 4.383 4.470 0.001 0.000 0.224 252 S C 1.896 176.350 174.600 -0.243 0.000 1.029 252 S CA 0.996 58.946 58.200 -0.417 0.000 0.978 252 S CB -0.030 62.742 63.200 -0.713 0.000 0.833 252 S HN 0.055 nan 8.310 nan 0.000 0.466 253 V N 2.630 122.406 119.914 -0.231 0.000 2.343 253 V HA -0.166 3.955 4.120 0.001 0.000 0.247 253 V C 2.399 178.425 176.094 -0.113 0.000 1.051 253 V CA 1.379 63.566 62.300 -0.188 0.000 1.036 253 V CB -0.560 31.209 31.823 -0.090 0.000 0.654 253 V HN 0.360 nan 8.190 nan 0.000 0.451 254 K N 0.423 120.758 120.400 -0.109 0.000 2.026 254 K HA -0.154 4.166 4.320 0.001 0.000 0.208 254 K C 2.272 178.832 176.600 -0.067 0.000 1.048 254 K CA 1.448 57.688 56.287 -0.079 0.000 0.929 254 K CB -0.460 31.988 32.500 -0.087 0.000 0.713 254 K HN 0.394 nan 8.250 nan 0.000 0.439 255 R N 0.431 120.880 120.500 -0.084 0.000 2.073 255 R HA 0.025 4.366 4.340 0.001 0.000 0.234 255 R C 2.557 178.836 176.300 -0.035 0.000 1.134 255 R CA 1.588 57.653 56.100 -0.058 0.000 0.952 255 R CB -0.228 30.032 30.300 -0.068 0.000 0.850 255 R HN 0.164 nan 8.270 nan 0.000 0.433 256 M N 0.079 119.649 119.600 -0.050 0.000 2.175 256 M HA -0.160 4.321 4.480 0.001 0.000 0.264 256 M C 2.311 178.629 176.300 0.030 0.000 1.063 256 M CA 1.459 56.749 55.300 -0.016 0.000 1.119 256 M CB -0.165 32.380 32.600 -0.093 0.000 1.377 256 M HN 0.056 nan 8.290 nan 0.000 0.415 257 K N 0.637 121.045 120.400 0.014 0.000 2.025 257 K HA -0.212 4.108 4.320 0.001 0.000 0.207 257 K C 1.818 178.421 176.600 0.006 0.000 1.049 257 K CA 1.619 57.919 56.287 0.022 0.000 0.933 257 K CB 0.042 32.544 32.500 0.004 0.000 0.714 257 K HN 0.075 nan 8.250 nan 0.000 0.438 258 E N 0.342 120.538 120.200 -0.007 0.000 2.153 258 E HA -0.120 4.230 4.350 0.001 0.000 0.194 258 E C 1.713 178.312 176.600 -0.001 0.000 0.988 258 E CA 1.599 57.993 56.400 -0.009 0.000 0.811 258 E CB 0.064 29.754 29.700 -0.016 0.000 0.746 258 E HN 0.260 nan 8.360 nan 0.000 0.466 259 S N 0.206 115.910 115.700 0.007 0.000 2.382 259 S HA -0.111 4.359 4.470 0.001 0.000 0.228 259 S C 1.825 176.435 174.600 0.017 0.000 1.027 259 S CA 0.698 58.906 58.200 0.015 0.000 0.991 259 S CB -0.155 63.059 63.200 0.025 0.000 0.823 259 S HN 0.187 nan 8.310 nan 0.000 0.469 260 R N 1.107 121.619 120.500 0.020 0.000 2.092 260 R HA 0.102 4.442 4.340 0.001 0.000 0.231 260 R C 2.151 178.453 176.300 0.002 0.000 1.119 260 R CA 0.909 57.017 56.100 0.014 0.000 0.970 260 R CB -0.904 29.405 30.300 0.015 0.000 0.864 260 R HN 0.442 nan 8.270 nan 0.000 0.440 261 L N 0.114 121.336 121.223 -0.001 0.000 2.179 261 L HA -0.040 4.301 4.340 0.001 0.000 0.208 261 L C 1.959 178.827 176.870 -0.004 0.000 1.096 261 L CA 0.960 55.796 54.840 -0.007 0.000 0.779 261 L CB -0.343 41.710 42.059 -0.010 0.000 0.922 261 L HN 0.113 nan 8.230 nan 0.000 0.443 262 E N 0.085 120.284 120.200 -0.001 0.000 2.478 262 E HA -0.114 4.237 4.350 0.001 0.000 0.198 262 E C 0.038 176.640 176.600 0.002 0.000 1.046 262 E CA 0.433 56.833 56.400 0.000 0.000 0.870 262 E CB 0.108 29.809 29.700 0.002 0.000 0.818 262 E HN 0.571 nan 8.360 nan 0.000 0.527 270 D N 2.646 122.998 120.400 -0.081 0.000 2.781 270 D HA 0.474 5.115 4.640 0.001 0.000 0.295 270 D C 0.945 177.157 176.300 -0.147 0.000 1.143 270 D CA -0.884 53.058 54.000 -0.096 0.000 1.076 270 D CB 0.723 41.483 40.800 -0.067 0.000 1.444 270 D HN 0.204 nan 8.370 nan 0.000 0.567 271 F N 0.086 119.822 119.950 -0.356 0.000 2.063 271 F HA -0.226 4.302 4.527 0.001 0.000 0.298 271 F C 1.851 177.409 175.800 -0.402 0.000 1.105 271 F CA 1.820 59.535 58.000 -0.475 0.000 1.215 271 F CB -0.241 38.377 39.000 -0.638 0.000 0.972 271 F HN 0.342 nan 8.300 nan 0.000 0.483 272 L N -0.385 120.596 121.223 -0.403 0.000 2.056 272 L HA -0.231 4.109 4.340 0.001 0.000 0.207 272 L C 2.502 179.214 176.870 -0.263 0.000 1.078 272 L CA 1.822 56.461 54.840 -0.336 0.000 0.749 272 L CB -0.561 41.477 42.059 -0.034 0.000 0.901 272 L HN 0.276 nan 8.230 nan 0.000 0.433 273 Q N -0.132 119.556 119.800 -0.187 0.000 2.050 273 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 273 Q C 2.019 177.912 176.000 -0.179 0.000 0.980 273 Q CA 1.702 57.420 55.803 -0.141 0.000 0.840 273 Q CB -0.478 28.201 28.738 -0.098 0.000 0.898 273 Q HN 0.343 nan 8.270 nan 0.000 0.424 274 L N -0.319 120.768 121.223 -0.227 0.000 2.043 274 L HA -0.188 4.152 4.340 0.001 0.000 0.212 274 L C 2.200 178.914 176.870 -0.258 0.000 1.075 274 L CA 1.894 56.594 54.840 -0.232 0.000 0.752 274 L CB -0.495 41.407 42.059 -0.263 0.000 0.891 274 L HN 0.389 nan 8.230 nan 0.000 0.432 275 M N -2.026 117.359 119.600 -0.359 0.000 2.200 275 M HA -0.189 4.291 4.480 0.001 0.000 0.265 275 M C 2.254 178.433 176.300 -0.201 0.000 1.066 275 M CA 1.557 56.663 55.300 -0.324 0.000 1.127 275 M CB -0.279 32.046 32.600 -0.458 0.000 1.379 275 M HN 0.202 nan 8.290 nan 0.000 0.420 276 I N 0.470 120.936 120.570 -0.173 0.000 2.179 276 I HA -0.312 3.858 4.170 0.001 0.000 0.242 276 I C 1.721 177.781 176.117 -0.094 0.000 1.088 276 I CA 1.247 62.480 61.300 -0.111 0.000 1.357 276 I CB -0.568 37.381 38.000 -0.086 0.000 1.051 276 I HN 0.242 nan 8.210 nan 0.000 0.409 277 D N 0.527 120.867 120.400 -0.100 0.000 2.191 277 D HA -0.225 4.415 4.640 0.001 0.000 0.195 277 D C 2.262 178.515 176.300 -0.078 0.000 1.003 277 D CA 1.882 55.832 54.000 -0.083 0.000 0.867 277 D CB -0.310 40.437 40.800 -0.088 0.000 0.926 277 D HN 0.374 nan 8.370 nan 0.000 0.450 278 S N -0.789 114.856 115.700 -0.092 0.000 2.522 278 S HA -0.046 4.425 4.470 0.001 0.000 0.227 278 S C 0.994 175.556 174.600 -0.063 0.000 0.986 278 S CA 0.014 58.166 58.200 -0.079 0.000 0.929 278 S CB 0.102 63.246 63.200 -0.093 0.000 0.769 278 S HN 0.184 nan 8.310 nan 0.000 0.529 290 L N 2.176 123.377 121.223 -0.036 0.000 2.499 290 L HA 0.224 4.564 4.340 0.001 0.000 0.273 290 L C 1.400 178.260 176.870 -0.017 0.000 1.195 290 L CA 0.099 54.922 54.840 -0.028 0.000 0.882 290 L CB 1.177 43.204 42.059 -0.053 0.000 1.133 290 L HN 0.891 nan 8.230 nan 0.000 0.483 291 S N 1.944 117.646 115.700 0.003 0.000 2.573 291 S HA -0.052 4.419 4.470 0.001 0.000 0.277 291 S C 0.999 175.600 174.600 0.001 0.000 1.346 291 S CA -0.574 57.631 58.200 0.008 0.000 1.034 291 S CB 0.683 63.900 63.200 0.028 0.000 0.879 291 S HN 0.651 nan 8.310 nan 0.000 0.528 292 D N 1.931 122.326 120.400 -0.008 0.000 2.106 292 D HA -0.115 4.526 4.640 0.001 0.000 0.191 292 D C 1.700 177.997 176.300 -0.005 0.000 0.997 292 D CA 1.273 55.263 54.000 -0.016 0.000 0.834 292 D CB -0.282 40.501 40.800 -0.029 0.000 0.956 292 D HN 0.444 nan 8.370 nan 0.000 0.448 293 L N 0.929 122.153 121.223 0.002 0.000 2.275 293 L HA -0.071 4.269 4.340 0.001 0.000 0.215 293 L C 2.002 178.950 176.870 0.130 0.000 1.119 293 L CA 1.339 56.190 54.840 0.019 0.000 0.790 293 L CB -0.234 41.823 42.059 -0.002 0.000 0.919 293 L HN 0.026 nan 8.230 nan 0.000 0.443 294 E N -0.803 119.460 120.200 0.105 0.000 2.072 294 E HA -0.247 4.104 4.350 0.001 0.000 0.191 294 E C 2.197 178.857 176.600 0.098 0.000 0.985 294 E CA 1.181 57.653 56.400 0.119 0.000 0.801 294 E CB -0.243 29.503 29.700 0.076 0.000 0.750 294 E HN 0.437 nan 8.360 nan 0.000 0.452 295 L N 0.833 122.082 121.223 0.043 0.000 2.127 295 L HA -0.199 4.141 4.340 0.001 0.000 0.211 295 L C 2.144 179.063 176.870 0.082 0.000 1.089 295 L CA 0.913 55.758 54.840 0.008 0.000 0.757 295 L CB 0.038 42.077 42.059 -0.033 0.000 0.899 295 L HN 0.005 nan 8.230 nan 0.000 0.434 296 V N -0.365 119.619 119.914 0.117 0.000 2.379 296 V HA -0.185 3.935 4.120 0.001 0.000 0.245 296 V C 2.735 178.997 176.094 0.279 0.000 1.044 296 V CA 1.437 63.837 62.300 0.166 0.000 1.036 296 V CB -0.873 30.998 31.823 0.079 0.000 0.664 296 V HN 0.570 nan 8.190 nan 0.000 0.453 297 A N -0.189 122.825 122.820 0.324 0.000 1.877 297 A HA -0.242 4.078 4.320 0.001 0.000 0.216 297 A C 2.186 179.926 177.584 0.260 0.000 1.186 297 A CA 1.675 53.885 52.037 0.288 0.000 0.620 297 A CB -0.500 18.638 19.000 0.231 0.000 0.822 297 A HN 0.527 nan 8.150 nan 0.000 0.443 298 Q N 0.274 120.229 119.800 0.258 0.000 2.096 298 Q HA -0.129 4.212 4.340 0.001 0.000 0.204 298 Q C 2.371 178.663 176.000 0.485 0.000 0.982 298 Q CA 1.818 57.821 55.803 0.333 0.000 0.850 298 Q CB -1.019 27.831 28.738 0.187 0.000 0.901 298 Q HN 0.618 nan 8.270 nan 0.000 0.422 299 S N 0.803 116.784 115.700 0.467 0.000 2.382 299 S HA -0.061 4.409 4.470 0.001 0.000 0.228 299 S C 2.059 176.965 174.600 0.510 0.000 1.027 299 S CA 0.821 59.410 58.200 0.650 0.000 0.991 299 S CB -0.211 63.360 63.200 0.617 0.000 0.823 299 S HN 0.308 nan 8.310 nan 0.000 0.469 300 I N 1.243 122.029 120.570 0.359 0.000 2.315 300 I HA -0.147 4.024 4.170 0.001 0.000 0.248 300 I C 1.841 178.125 176.117 0.278 0.000 1.117 300 I CA 0.754 62.214 61.300 0.267 0.000 1.404 300 I CB -0.316 37.775 38.000 0.152 0.000 1.071 300 I HN 0.254 nan 8.210 nan 0.000 0.419 301 I N 0.206 120.963 120.570 0.310 0.000 2.226 301 I HA -0.258 3.912 4.170 0.001 0.000 0.245 301 I C 2.444 178.758 176.117 0.329 0.000 1.100 301 I CA 1.931 63.414 61.300 0.305 0.000 1.374 301 I CB -1.163 37.041 38.000 0.340 0.000 1.057 301 I HN 0.129 nan 8.210 nan 0.000 0.413 302 F N 0.817 120.834 119.950 0.111 0.000 2.259 302 F HA -0.042 4.486 4.527 0.001 0.000 0.298 302 F C 2.495 178.329 175.800 0.057 0.000 1.088 302 F CA 0.857 58.831 58.000 -0.042 0.000 1.358 302 F CB -0.666 38.028 39.000 -0.510 0.000 1.040 302 F HN -0.056 nan 8.300 nan 0.000 0.505 303 I N -1.363 119.425 120.570 0.363 0.000 2.202 303 I HA -0.316 3.855 4.170 0.001 0.000 0.242 303 I C 2.371 178.671 176.117 0.304 0.000 1.091 303 I CA 1.282 62.782 61.300 0.333 0.000 1.368 303 I CB -0.455 37.766 38.000 0.368 0.000 1.058 303 I HN 0.050 nan 8.210 nan 0.000 0.410 304 F N 1.628 121.687 119.950 0.182 0.000 2.075 304 F HA -0.228 4.299 4.527 0.001 0.000 0.297 304 F C 2.507 178.402 175.800 0.159 0.000 1.113 304 F CA 1.606 59.712 58.000 0.178 0.000 1.218 304 F CB -0.449 38.620 39.000 0.114 0.000 0.984 304 F HN 0.002 nan 8.300 nan 0.000 0.472 305 A N 0.422 123.365 122.820 0.205 0.000 1.908 305 A HA -0.119 4.202 4.320 0.001 0.000 0.218 305 A C 2.481 180.040 177.584 -0.042 0.000 1.181 305 A CA 1.876 53.930 52.037 0.028 0.000 0.627 305 A CB -1.897 17.092 19.000 -0.017 0.000 0.818 305 A HN 0.554 nan 8.150 nan 0.000 0.445 306 G N -1.670 107.146 108.800 0.027 0.000 2.440 306 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 306 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 306 G C 1.545 176.478 174.900 0.056 0.000 1.154 306 G CA 1.389 46.544 45.100 0.092 0.000 0.767 306 G HN 0.668 nan 8.290 nan 0.000 0.552 307 Y N 1.372 121.623 120.300 -0.082 0.000 2.109 307 Y HA -0.026 4.524 4.550 0.001 0.000 0.281 307 Y C 2.861 178.644 175.900 -0.194 0.000 1.113 307 Y CA 2.149 60.181 58.100 -0.112 0.000 1.098 307 Y CB -0.302 38.104 38.460 -0.091 0.000 0.996 307 Y HN 0.263 nan 8.280 nan 0.000 0.485 308 E N -0.055 119.787 120.200 -0.596 0.000 2.051 308 E HA -0.160 4.190 4.350 0.001 0.000 0.192 308 E C 2.228 178.556 176.600 -0.453 0.000 0.991 308 E CA 2.334 58.294 56.400 -0.732 0.000 0.799 308 E CB -0.870 28.300 29.700 -0.882 0.000 0.748 308 E HN 0.466 nan 8.360 nan 0.000 0.449 309 T N -0.686 113.677 114.554 -0.317 0.000 2.668 309 T HA -0.111 4.240 4.350 0.001 0.000 0.262 309 T C 1.751 176.353 174.700 -0.164 0.000 1.045 309 T CA 2.188 64.179 62.100 -0.182 0.000 1.152 309 T CB -0.633 68.166 68.868 -0.115 0.000 0.864 309 T HN 0.318 nan 8.240 nan 0.000 0.419 310 T N 1.862 116.316 114.554 -0.167 0.000 2.746 310 T HA -0.127 4.224 4.350 0.001 0.000 0.267 310 T C 2.406 176.989 174.700 -0.194 0.000 1.039 310 T CA 1.670 63.675 62.100 -0.158 0.000 1.142 310 T CB -0.508 68.281 68.868 -0.132 0.000 0.866 310 T HN 0.601 nan 8.240 nan 0.000 0.444 311 S N 1.577 117.134 115.700 -0.238 0.000 2.348 311 S HA -0.111 4.359 4.470 0.001 0.000 0.221 311 S C 2.353 176.816 174.600 -0.228 0.000 1.033 311 S CA 1.424 59.488 58.200 -0.225 0.000 1.010 311 S CB -0.860 62.128 63.200 -0.352 0.000 0.891 311 S HN 0.333 nan 8.310 nan 0.000 0.442 312 S N 1.427 116.979 115.700 -0.246 0.000 2.365 312 S HA -0.087 4.384 4.470 0.001 0.000 0.225 312 S C 1.981 176.500 174.600 -0.136 0.000 1.039 312 S CA 1.527 59.589 58.200 -0.231 0.000 1.033 312 S CB -0.735 62.406 63.200 -0.098 0.000 0.887 312 S HN 0.458 nan 8.310 nan 0.000 0.447 313 V N 1.849 121.756 119.914 -0.012 0.000 2.427 313 V HA -0.137 3.984 4.120 0.001 0.000 0.248 313 V C 2.153 178.200 176.094 -0.078 0.000 1.051 313 V CA 1.385 63.725 62.300 0.068 0.000 1.048 313 V CB -0.741 31.071 31.823 -0.018 0.000 0.666 313 V HN 0.400 nan 8.190 nan 0.000 0.456 314 L N 0.021 121.102 121.223 -0.238 0.000 2.042 314 L HA -0.180 4.160 4.340 0.001 0.000 0.210 314 L C 2.667 179.349 176.870 -0.313 0.000 1.076 314 L CA 1.837 56.420 54.840 -0.427 0.000 0.749 314 L CB -0.622 40.927 42.059 -0.849 0.000 0.893 314 L HN 0.326 nan 8.230 nan 0.000 0.432 315 S N -0.405 115.154 115.700 -0.235 0.000 2.368 315 S HA -0.154 4.317 4.470 0.001 0.000 0.225 315 S C 1.796 176.215 174.600 -0.303 0.000 1.030 315 S CA 1.390 59.454 58.200 -0.226 0.000 0.999 315 S CB -0.480 62.505 63.200 -0.358 0.000 0.844 315 S HN 0.271 nan 8.310 nan 0.000 0.459 316 F N 1.400 121.177 119.950 -0.288 0.000 2.134 316 F HA -0.049 4.479 4.527 0.001 0.000 0.299 316 F C 2.128 177.775 175.800 -0.255 0.000 1.097 316 F CA 0.799 58.536 58.000 -0.438 0.000 1.264 316 F CB -0.464 38.142 39.000 -0.657 0.000 1.001 316 F HN 0.143 nan 8.300 nan 0.000 0.479 317 I N -0.785 119.767 120.570 -0.031 0.000 2.226 317 I HA -0.303 3.867 4.170 0.001 0.000 0.245 317 I C 2.295 178.339 176.117 -0.122 0.000 1.100 317 I CA 0.873 62.127 61.300 -0.077 0.000 1.374 317 I CB -0.326 37.601 38.000 -0.122 0.000 1.057 317 I HN 0.127 nan 8.210 nan 0.000 0.413 318 M N -0.384 119.128 119.600 -0.145 0.000 2.132 318 M HA -0.214 4.266 4.480 0.001 0.000 0.263 318 M C 2.435 178.690 176.300 -0.075 0.000 1.065 318 M CA 1.747 56.938 55.300 -0.182 0.000 1.122 318 M CB -1.466 31.004 32.600 -0.217 0.000 1.365 318 M HN 0.236 nan 8.290 nan 0.000 0.411 319 Y N 1.860 122.076 120.300 -0.140 0.000 2.165 319 Y HA -0.239 4.312 4.550 0.001 0.000 0.286 319 Y C 2.229 178.070 175.900 -0.098 0.000 1.155 319 Y CA 1.837 59.879 58.100 -0.098 0.000 1.164 319 Y CB -0.071 38.319 38.460 -0.117 0.000 0.978 319 Y HN 0.225 nan 8.280 nan 0.000 0.513 320 E N 0.341 120.446 120.200 -0.159 0.000 2.072 320 E HA -0.164 4.187 4.350 0.001 0.000 0.191 320 E C 2.298 178.705 176.600 -0.321 0.000 0.985 320 E CA 1.517 57.639 56.400 -0.463 0.000 0.801 320 E CB -0.489 28.598 29.700 -1.022 0.000 0.750 320 E HN 0.564 nan 8.360 nan 0.000 0.452 321 L N 0.306 121.421 121.223 -0.180 0.000 2.109 321 L HA -0.064 4.276 4.340 0.001 0.000 0.207 321 L C 2.503 179.383 176.870 0.016 0.000 1.086 321 L CA 0.976 55.809 54.840 -0.012 0.000 0.760 321 L CB -0.480 41.582 42.059 0.005 0.000 0.910 321 L HN 0.026 nan 8.230 nan 0.000 0.437 322 A N -1.124 121.671 122.820 -0.041 0.000 1.969 322 A HA -0.174 4.147 4.320 0.001 0.000 0.218 322 A C 2.349 179.872 177.584 -0.101 0.000 1.169 322 A CA 2.151 54.179 52.037 -0.016 0.000 0.635 322 A CB -0.593 18.413 19.000 0.009 0.000 0.810 322 A HN 0.302 nan 8.150 nan 0.000 0.445 323 T N -1.441 112.979 114.554 -0.225 0.000 3.081 323 T HA 0.107 4.457 4.350 0.001 0.000 0.250 323 T C -0.332 174.133 174.700 -0.392 0.000 1.100 323 T CA 0.279 62.173 62.100 -0.342 0.000 1.038 323 T CB -0.254 68.240 68.868 -0.624 0.000 0.962 323 T HN 0.581 nan 8.240 nan 0.000 0.516 324 H N 0.697 119.718 119.070 -0.081 0.000 2.448 324 H HA 0.290 4.847 4.556 0.001 0.000 0.237 324 H C -1.864 173.503 175.328 0.065 0.000 1.391 324 H CA -1.813 54.258 56.048 0.038 0.000 1.477 324 H CB 1.245 31.102 29.762 0.159 0.000 1.520 324 H HN 0.055 nan 8.280 nan 0.000 0.502 325 P HA -0.207 nan 4.420 nan 0.000 0.216 325 P C 0.735 178.102 177.300 0.112 0.000 1.153 325 P CA 1.272 64.425 63.100 0.087 0.000 0.858 325 P CB 0.636 32.363 31.700 0.045 0.000 0.789 326 D N -0.570 119.901 120.400 0.119 0.000 2.178 326 D HA -0.084 4.556 4.640 0.001 0.000 0.201 326 D C 2.087 178.470 176.300 0.137 0.000 0.980 326 D CA 0.736 54.799 54.000 0.105 0.000 0.842 326 D CB -0.664 40.192 40.800 0.092 0.000 0.948 326 D HN 0.053 nan 8.370 nan 0.000 0.472 327 V N 0.741 120.789 119.914 0.223 0.000 2.358 327 V HA -0.230 3.890 4.120 0.001 0.000 0.246 327 V C 2.612 178.878 176.094 0.287 0.000 1.047 327 V CA 1.542 64.031 62.300 0.315 0.000 1.035 327 V CB -0.500 31.562 31.823 0.398 0.000 0.658 327 V HN 0.174 nan 8.190 nan 0.000 0.452 328 Q N -0.189 119.738 119.800 0.213 0.000 2.061 328 Q HA -0.309 4.032 4.340 0.001 0.000 0.204 328 Q C 2.388 178.468 176.000 0.132 0.000 0.984 328 Q CA 2.320 58.223 55.803 0.167 0.000 0.846 328 Q CB -0.192 28.631 28.738 0.141 0.000 0.902 328 Q HN 0.723 nan 8.270 nan 0.000 0.421 329 Q N 0.310 120.169 119.800 0.099 0.000 2.084 329 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 329 Q C 2.020 178.031 176.000 0.018 0.000 0.978 329 Q CA 1.785 57.621 55.803 0.055 0.000 0.844 329 Q CB -0.043 28.718 28.738 0.038 0.000 0.898 329 Q HN 0.228 nan 8.270 nan 0.000 0.426 330 K N 0.215 120.609 120.400 -0.011 0.000 2.063 330 K HA -0.135 4.185 4.320 0.001 0.000 0.208 330 K C 2.111 178.637 176.600 -0.124 0.000 1.048 330 K CA 1.092 57.281 56.287 -0.164 0.000 0.928 330 K CB -0.188 32.084 32.500 -0.379 0.000 0.713 330 K HN 0.284 nan 8.250 nan 0.000 0.442 331 L N 0.629 121.916 121.223 0.106 0.000 2.093 331 L HA -0.220 4.121 4.340 0.001 0.000 0.208 331 L C 2.322 179.251 176.870 0.099 0.000 1.085 331 L CA 1.410 56.380 54.840 0.218 0.000 0.755 331 L CB -0.140 42.080 42.059 0.270 0.000 0.904 331 L HN 0.379 nan 8.230 nan 0.000 0.435 332 Q N -0.535 119.308 119.800 0.071 0.000 2.119 332 Q HA -0.239 4.101 4.340 0.001 0.000 0.201 332 Q C 1.940 177.951 176.000 0.017 0.000 0.972 332 Q CA 1.559 57.390 55.803 0.047 0.000 0.847 332 Q CB 0.057 28.825 28.738 0.051 0.000 0.903 332 Q HN 0.537 nan 8.270 nan 0.000 0.433 333 E N 0.356 120.554 120.200 -0.004 0.000 2.152 333 E HA -0.203 4.148 4.350 0.001 0.000 0.192 333 E C 1.799 178.384 176.600 -0.025 0.000 0.983 333 E CA 0.844 57.230 56.400 -0.023 0.000 0.818 333 E CB 0.118 29.791 29.700 -0.046 0.000 0.758 333 E HN 0.349 nan 8.360 nan 0.000 0.467 334 E N 1.092 121.279 120.200 -0.021 0.000 2.047 334 E HA -0.176 4.175 4.350 0.001 0.000 0.191 334 E C 2.018 178.624 176.600 0.010 0.000 0.987 334 E CA 0.882 57.280 56.400 -0.005 0.000 0.799 334 E CB -0.045 29.671 29.700 0.026 0.000 0.752 334 E HN 0.189 nan 8.360 nan 0.000 0.449 335 I N 1.653 122.235 120.570 0.020 0.000 2.226 335 I HA -0.255 3.915 4.170 0.001 0.000 0.245 335 I C 1.776 177.896 176.117 0.005 0.000 1.100 335 I CA 1.280 62.589 61.300 0.015 0.000 1.374 335 I CB -0.299 37.714 38.000 0.021 0.000 1.057 335 I HN 0.136 nan 8.210 nan 0.000 0.413 336 D N 0.940 121.340 120.400 0.001 0.000 2.263 336 D HA -0.100 4.540 4.640 0.001 0.000 0.208 336 D C 2.095 178.392 176.300 -0.006 0.000 0.971 336 D CA 1.289 55.286 54.000 -0.005 0.000 0.867 336 D CB 0.024 40.819 40.800 -0.008 0.000 0.929 336 D HN 0.387 nan 8.370 nan 0.000 0.492 337 A N -0.061 122.755 122.820 -0.006 0.000 2.081 337 A HA 0.052 4.373 4.320 0.001 0.000 0.214 337 A C 2.246 179.828 177.584 -0.003 0.000 1.158 337 A CA 0.443 52.476 52.037 -0.007 0.000 0.724 337 A CB 0.237 19.230 19.000 -0.011 0.000 0.826 337 A HN 0.139 nan 8.150 nan 0.000 0.463 338 V N -1.063 118.851 119.914 -0.000 0.000 3.048 338 V HA 0.226 4.347 4.120 0.001 0.000 0.241 338 V C 0.592 176.688 176.094 0.002 0.000 1.129 338 V CA 0.681 62.982 62.300 0.001 0.000 1.128 338 V CB 0.039 31.863 31.823 0.002 0.000 0.849 338 V HN 0.399 nan 8.190 nan 0.000 0.475 339 L N 3.421 124.645 121.223 0.002 0.000 2.502 339 L HA 0.393 4.733 4.340 0.001 0.000 0.247 339 L C -2.531 174.339 176.870 -0.001 0.000 1.180 339 L CA -1.370 53.471 54.840 0.002 0.000 0.956 339 L CB 1.328 43.389 42.059 0.004 0.000 1.282 339 L HN 0.169 nan 8.230 nan 0.000 0.470 340 P HA -0.018 nan 4.420 nan 0.000 0.274 340 P C 0.143 177.439 177.300 -0.007 0.000 1.246 340 P CA -0.127 62.970 63.100 -0.005 0.000 0.795 340 P CB 0.671 32.368 31.700 -0.004 0.000 1.006 341 N N 1.101 119.795 118.700 -0.010 0.000 2.716 341 N HA -0.225 4.516 4.740 0.001 0.000 0.250 341 N C -0.507 174.995 175.510 -0.014 0.000 1.033 341 N CA 0.417 53.459 53.050 -0.012 0.000 0.727 341 N CB -0.885 37.597 38.487 -0.008 0.000 0.950 341 N HN 0.485 nan 8.380 nan 0.000 0.541 342 K N -2.871 117.518 120.400 -0.018 0.000 3.077 342 K HA -0.219 4.102 4.320 0.001 0.000 0.264 342 K C 0.202 176.797 176.600 -0.008 0.000 1.008 342 K CA 0.831 57.105 56.287 -0.020 0.000 0.740 342 K CB -1.685 30.795 32.500 -0.034 0.000 1.273 342 K HN 0.540 nan 8.250 nan 0.000 0.477 343 A N 1.199 124.017 122.820 -0.002 0.000 2.445 343 A HA 0.347 4.667 4.320 0.001 0.000 0.242 343 A C -2.021 175.570 177.584 0.012 0.000 1.075 343 A CA -0.981 51.059 52.037 0.005 0.000 0.777 343 A CB 0.059 19.064 19.000 0.007 0.000 1.013 343 A HN -0.008 nan 8.150 nan 0.000 0.493 344 P HA 0.189 nan 4.420 nan 0.000 0.267 344 P C -2.316 175.003 177.300 0.032 0.000 1.209 344 P CA -0.659 62.458 63.100 0.029 0.000 0.763 344 P CB 0.015 31.734 31.700 0.032 0.000 0.816 345 P HA 0.044 nan 4.420 nan 0.000 0.269 345 P C -0.306 177.023 177.300 0.050 0.000 1.215 345 P CA 0.228 63.347 63.100 0.033 0.000 0.780 345 P CB 0.454 32.171 31.700 0.028 0.000 0.898 346 T N -1.780 112.804 114.554 0.051 0.000 2.926 346 T HA 0.225 4.575 4.350 0.001 0.000 0.289 346 T C 0.845 175.606 174.700 0.100 0.000 1.054 346 T CA -0.596 61.556 62.100 0.087 0.000 1.015 346 T CB 0.821 69.739 68.868 0.084 0.000 1.167 346 T HN 0.338 nan 8.240 nan 0.000 0.526 347 Y N 1.448 121.762 120.300 0.024 0.000 2.102 347 Y HA -0.244 4.306 4.550 0.001 0.000 0.280 347 Y C 1.747 177.655 175.900 0.013 0.000 1.178 347 Y CA 2.614 60.726 58.100 0.021 0.000 1.146 347 Y CB -0.483 37.994 38.460 0.028 0.000 0.968 347 Y HN 0.811 nan 8.280 nan 0.000 0.504 348 D N -1.318 119.164 120.400 0.138 0.000 2.117 348 D HA -0.159 4.481 4.640 0.001 0.000 0.198 348 D C 2.206 178.495 176.300 -0.018 0.000 0.982 348 D CA 2.080 56.117 54.000 0.062 0.000 0.828 348 D CB -0.717 40.145 40.800 0.104 0.000 0.967 348 D HN 0.484 nan 8.370 nan 0.000 0.464 349 T N -0.990 113.562 114.554 -0.004 0.000 2.915 349 T HA -0.078 4.273 4.350 0.001 0.000 0.269 349 T C 2.078 176.749 174.700 -0.048 0.000 1.071 349 T CA 0.505 62.595 62.100 -0.016 0.000 1.132 349 T CB -0.593 68.276 68.868 0.002 0.000 0.878 349 T HN 0.006 nan 8.240 nan 0.000 0.479 350 V N 1.722 121.583 119.914 -0.088 0.000 2.358 350 V HA -0.033 4.088 4.120 0.001 0.000 0.246 350 V C 2.680 178.682 176.094 -0.152 0.000 1.047 350 V CA 1.252 63.477 62.300 -0.124 0.000 1.035 350 V CB -0.758 30.966 31.823 -0.165 0.000 0.658 350 V HN 0.448 nan 8.190 nan 0.000 0.452 351 L N -0.188 120.910 121.223 -0.208 0.000 2.127 351 L HA -0.244 4.097 4.340 0.001 0.000 0.211 351 L C 2.572 179.389 176.870 -0.088 0.000 1.089 351 L CA 1.696 56.433 54.840 -0.171 0.000 0.757 351 L CB -0.575 41.377 42.059 -0.179 0.000 0.899 351 L HN 0.420 nan 8.230 nan 0.000 0.434 352 Q N 0.158 119.920 119.800 -0.063 0.000 2.369 352 Q HA -0.064 4.277 4.340 0.001 0.000 0.206 352 Q C 0.731 176.720 176.000 -0.018 0.000 0.963 352 Q CA 0.463 56.249 55.803 -0.029 0.000 0.894 352 Q CB 0.201 28.930 28.738 -0.016 0.000 0.965 352 Q HN 0.435 nan 8.270 nan 0.000 0.475 353 M N 1.186 120.771 119.600 -0.025 0.000 2.319 353 M HA 0.078 4.558 4.480 0.001 0.000 0.343 353 M C 0.550 176.854 176.300 0.007 0.000 1.364 353 M CA 0.077 55.376 55.300 -0.001 0.000 1.292 353 M CB 0.903 33.501 32.600 -0.004 0.000 1.432 353 M HN 0.149 nan 8.290 nan 0.000 0.448 354 E N 2.139 122.359 120.200 0.033 0.000 2.051 354 E HA -0.210 4.140 4.350 0.001 0.000 0.192 354 E C 1.338 177.978 176.600 0.067 0.000 0.991 354 E CA 1.761 58.186 56.400 0.042 0.000 0.799 354 E CB 0.146 29.881 29.700 0.058 0.000 0.748 354 E HN 0.734 nan 8.360 nan 0.000 0.449 355 Y N 0.457 120.742 120.300 -0.025 0.000 2.200 355 Y HA -0.230 4.320 4.550 0.001 0.000 0.290 355 Y C 2.261 178.141 175.900 -0.034 0.000 1.137 355 Y CA 1.128 59.214 58.100 -0.025 0.000 1.163 355 Y CB -0.043 38.409 38.460 -0.015 0.000 0.988 355 Y HN 0.126 nan 8.280 nan 0.000 0.518 356 L N 0.641 121.881 121.223 0.029 0.000 2.013 356 L HA -0.269 4.071 4.340 0.001 0.000 0.212 356 L C 1.837 178.629 176.870 -0.129 0.000 1.073 356 L CA 2.546 57.355 54.840 -0.052 0.000 0.753 356 L CB -0.975 41.071 42.059 -0.022 0.000 0.890 356 L HN 0.283 nan 8.230 nan 0.000 0.432 357 D N -1.429 118.902 120.400 -0.116 0.000 2.144 357 D HA -0.224 4.417 4.640 0.001 0.000 0.199 357 D C 2.143 178.307 176.300 -0.227 0.000 0.984 357 D CA 1.547 55.461 54.000 -0.143 0.000 0.834 357 D CB -0.000 40.739 40.800 -0.101 0.000 0.955 357 D HN 0.406 nan 8.370 nan 0.000 0.465 358 M N -0.747 118.703 119.600 -0.250 0.000 2.132 358 M HA -0.119 4.361 4.480 0.001 0.000 0.263 358 M C 2.193 178.241 176.300 -0.419 0.000 1.065 358 M CA 0.778 55.882 55.300 -0.327 0.000 1.122 358 M CB -0.052 32.364 32.600 -0.307 0.000 1.365 358 M HN -0.029 nan 8.290 nan 0.000 0.411 359 V N -0.269 119.403 119.914 -0.404 0.000 2.295 359 V HA -0.211 3.910 4.120 0.001 0.000 0.246 359 V C 2.326 178.340 176.094 -0.133 0.000 1.049 359 V CA 1.546 63.693 62.300 -0.255 0.000 1.024 359 V CB -0.594 31.122 31.823 -0.178 0.000 0.648 359 V HN 0.271 nan 8.190 nan 0.000 0.447 360 V N 0.475 120.291 119.914 -0.164 0.000 2.261 360 V HA -0.252 3.868 4.120 0.001 0.000 0.246 360 V C 2.364 178.356 176.094 -0.170 0.000 1.047 360 V CA 2.250 64.476 62.300 -0.123 0.000 1.015 360 V CB -0.929 30.828 31.823 -0.111 0.000 0.642 360 V HN 0.534 nan 8.190 nan 0.000 0.446 361 N N 0.223 118.716 118.700 -0.346 0.000 2.061 361 N HA -0.222 4.519 4.740 0.001 0.000 0.193 361 N C 1.903 176.999 175.510 -0.689 0.000 1.030 361 N CA 1.867 54.545 53.050 -0.620 0.000 0.856 361 N CB -0.437 37.281 38.487 -1.283 0.000 1.023 361 N HN 0.614 nan 8.380 nan 0.000 0.424 362 E N 0.137 119.957 120.200 -0.632 0.000 2.110 362 E HA -0.066 4.284 4.350 0.001 0.000 0.193 362 E C 1.556 178.165 176.600 0.014 0.000 0.988 362 E CA 1.430 57.685 56.400 -0.241 0.000 0.804 362 E CB -0.445 29.073 29.700 -0.304 0.000 0.745 362 E HN 0.302 nan 8.360 nan 0.000 0.458 363 T N 0.714 115.349 114.554 0.135 0.000 2.777 363 T HA -0.064 4.287 4.350 0.001 0.000 0.266 363 T C 1.791 176.587 174.700 0.161 0.000 1.040 363 T CA 1.169 63.431 62.100 0.271 0.000 1.141 363 T CB -0.254 68.742 68.868 0.215 0.000 0.868 363 T HN 0.135 nan 8.240 nan 0.000 0.444 364 L N 0.529 121.775 121.223 0.039 0.000 2.275 364 L HA -0.023 4.318 4.340 0.001 0.000 0.215 364 L C 2.824 179.707 176.870 0.021 0.000 1.119 364 L CA 0.877 55.710 54.840 -0.012 0.000 0.790 364 L CB -0.360 41.651 42.059 -0.080 0.000 0.919 364 L HN 0.184 nan 8.230 nan 0.000 0.443 365 R N 0.577 121.100 120.500 0.038 0.000 2.062 365 R HA -0.148 4.192 4.340 0.001 0.000 0.231 365 R C 2.221 178.428 176.300 -0.155 0.000 1.136 365 R CA 1.441 57.501 56.100 -0.068 0.000 0.948 365 R CB -0.188 29.957 30.300 -0.259 0.000 0.845 365 R HN 0.292 nan 8.270 nan 0.000 0.430 366 L N -0.353 120.683 121.223 -0.311 0.000 2.291 366 L HA -0.002 4.338 4.340 0.001 0.000 0.214 366 L C 0.289 176.560 176.870 -0.998 0.000 1.120 366 L CA 0.728 55.147 54.840 -0.702 0.000 0.799 366 L CB 0.170 41.751 42.059 -0.797 0.000 0.925 366 L HN 0.119 nan 8.230 nan 0.000 0.446 367 F N -0.101 119.709 119.950 -0.234 0.000 2.593 367 F HA 0.302 4.829 4.527 0.001 0.000 0.336 367 F C -2.341 173.285 175.800 -0.291 0.000 1.491 367 F CA -1.985 55.783 58.000 -0.386 0.000 1.114 367 F CB 0.436 38.881 39.000 -0.926 0.000 1.468 367 F HN -0.192 nan 8.300 nan 0.000 0.579 368 P HA 0.157 nan 4.420 nan 0.000 0.279 368 P C 1.212 178.437 177.300 -0.125 0.000 1.318 368 P CA -0.064 62.957 63.100 -0.132 0.000 0.819 368 P CB 0.591 32.173 31.700 -0.197 0.000 0.927 369 I N 1.394 121.879 120.570 -0.142 0.000 2.423 369 I HA -0.191 3.980 4.170 0.001 0.000 0.254 369 I C 1.685 177.734 176.117 -0.114 0.000 1.151 369 I CA 1.471 62.715 61.300 -0.093 0.000 1.421 369 I CB -0.811 37.151 38.000 -0.064 0.000 1.079 369 I HN 0.129 nan 8.210 nan 0.000 0.431 370 A N 0.661 123.388 122.820 -0.155 0.000 2.067 370 A HA 0.054 4.374 4.320 0.001 0.000 0.217 370 A C 2.061 179.536 177.584 -0.182 0.000 1.156 370 A CA 1.564 53.503 52.037 -0.163 0.000 0.683 370 A CB -0.301 18.601 19.000 -0.163 0.000 0.808 370 A HN 0.662 nan 8.150 nan 0.000 0.455 371 M N -4.134 115.370 119.600 -0.159 0.000 2.836 371 M HA -0.268 4.212 4.480 0.001 0.000 0.158 371 M C 0.324 176.548 176.300 -0.127 0.000 0.682 371 M CA 2.001 57.223 55.300 -0.131 0.000 0.605 371 M CB -0.854 31.637 32.600 -0.181 0.000 2.208 371 M HN 0.444 nan 8.290 nan 0.000 0.264 372 R N -0.303 120.103 120.500 -0.156 0.000 2.698 372 R HA 0.736 5.077 4.340 0.001 0.000 0.275 372 R C -1.634 174.587 176.300 -0.132 0.000 1.001 372 R CA -0.767 55.258 56.100 -0.125 0.000 0.896 372 R CB 1.845 32.081 30.300 -0.108 0.000 1.218 372 R HN -0.046 nan 8.270 nan 0.000 0.462 373 L N 2.011 123.166 121.223 -0.114 0.000 2.331 373 L HA 0.539 4.880 4.340 0.001 0.000 0.275 373 L C -0.167 176.643 176.870 -0.100 0.000 1.022 373 L CA -0.327 54.449 54.840 -0.107 0.000 0.812 373 L CB 1.415 43.415 42.059 -0.099 0.000 1.257 373 L HN 0.734 nan 8.230 nan 0.000 0.435 374 E N 1.931 122.074 120.200 -0.095 0.000 2.366 374 E HA 0.784 5.134 4.350 0.001 0.000 0.278 374 E C -1.242 175.313 176.600 -0.075 0.000 0.923 374 E CA -1.123 55.227 56.400 -0.083 0.000 0.761 374 E CB 2.524 32.188 29.700 -0.060 0.000 1.231 374 E HN 0.417 nan 8.360 nan 0.000 0.443 375 R N 1.475 121.943 120.500 -0.054 0.000 2.535 375 R HA 0.349 4.690 4.340 0.001 0.000 0.274 375 R C -1.669 174.677 176.300 0.077 0.000 1.090 375 R CA -0.585 55.511 56.100 -0.006 0.000 0.930 375 R CB 2.438 32.728 30.300 -0.017 0.000 1.223 375 R HN 0.450 nan 8.270 nan 0.000 0.441 376 V N 3.388 123.339 119.914 0.062 0.000 2.498 376 V HA 0.158 4.279 4.120 0.001 0.000 0.279 376 V C 0.236 176.364 176.094 0.056 0.000 1.048 376 V CA -0.655 61.676 62.300 0.052 0.000 0.967 376 V CB 1.355 33.182 31.823 0.007 0.000 0.988 376 V HN 0.826 nan 8.190 nan 0.000 0.473 377 C N 6.599 125.917 119.300 0.030 0.000 2.555 377 C HA 0.181 4.642 4.460 0.001 0.000 0.385 377 C C 1.842 176.710 174.990 -0.203 0.000 1.296 377 C CA -0.421 58.494 59.018 -0.171 0.000 1.757 377 C CB -0.916 26.772 27.740 -0.086 0.000 2.445 377 C HN 0.999 nan 8.230 nan 0.000 0.571 378 K N 3.059 123.290 120.400 -0.283 0.000 2.217 378 K HA -0.015 4.306 4.320 0.001 0.000 0.202 378 K C 0.601 177.110 176.600 -0.151 0.000 1.051 378 K CA 1.019 57.202 56.287 -0.175 0.000 0.952 378 K CB 0.117 32.527 32.500 -0.151 0.000 0.736 378 K HN 0.791 nan 8.250 nan 0.000 0.453 379 K N 0.460 120.738 120.400 -0.203 0.000 2.556 379 K HA 0.162 4.482 4.320 0.001 0.000 0.274 379 K C -1.780 174.720 176.600 -0.168 0.000 0.966 379 K CA -0.845 55.357 56.287 -0.142 0.000 0.865 379 K CB 1.286 33.724 32.500 -0.102 0.000 1.444 379 K HN -0.308 nan 8.250 nan 0.000 0.433 380 D N 1.105 121.440 120.400 -0.108 0.000 2.658 380 D HA 0.146 4.786 4.640 0.001 0.000 0.230 380 D C -0.566 175.670 176.300 -0.107 0.000 1.118 380 D CA 0.465 54.391 54.000 -0.122 0.000 0.848 380 D CB 0.803 41.660 40.800 0.093 0.000 1.160 380 D HN 0.382 nan 8.370 nan 0.000 0.497 381 V N 1.868 121.657 119.914 -0.208 0.000 3.204 381 V HA 0.298 4.418 4.120 0.001 0.000 0.298 381 V C -1.393 174.679 176.094 -0.037 0.000 1.328 381 V CA -0.773 61.481 62.300 -0.076 0.000 1.035 381 V CB 2.524 34.290 31.823 -0.095 0.000 1.095 381 V HN 0.546 nan 8.190 nan 0.000 0.442 382 E N 4.249 124.496 120.200 0.078 0.000 2.182 382 E HA 0.488 4.839 4.350 0.001 0.000 0.258 382 E C -1.226 175.427 176.600 0.088 0.000 0.879 382 E CA -0.603 55.868 56.400 0.119 0.000 0.754 382 E CB 1.453 31.259 29.700 0.177 0.000 1.162 382 E HN 0.641 nan 8.360 nan 0.000 0.419 383 I N 2.875 123.491 120.570 0.077 0.000 2.406 383 I HA 0.387 4.558 4.170 0.001 0.000 0.290 383 I C -0.196 175.940 176.117 0.030 0.000 0.999 383 I CA -0.513 60.822 61.300 0.057 0.000 1.124 383 I CB 1.202 39.240 38.000 0.064 0.000 1.289 383 I HN 0.747 nan 8.210 nan 0.000 0.441 384 N N 4.938 123.651 118.700 0.021 0.000 2.710 384 N HA -0.230 4.511 4.740 0.001 0.000 0.249 384 N C 1.030 176.557 175.510 0.029 0.000 1.059 384 N CA 1.179 54.237 53.050 0.013 0.000 0.720 384 N CB -1.045 37.436 38.487 -0.010 0.000 0.983 384 N HN 1.354 nan 8.380 nan 0.000 0.544 385 G N -0.638 108.190 108.800 0.047 0.000 2.194 385 G HA2 -0.320 3.641 3.960 0.001 0.000 0.236 385 G HA3 -0.320 3.641 3.960 0.001 0.000 0.236 385 G C -0.063 174.886 174.900 0.081 0.000 0.987 385 G CA 0.444 45.579 45.100 0.058 0.000 0.635 385 G HN 0.447 nan 8.290 nan 0.000 0.520 386 M N 0.720 120.371 119.600 0.085 0.000 2.364 386 M HA 0.730 5.211 4.480 0.001 0.000 0.334 386 M C -0.605 175.791 176.300 0.159 0.000 1.107 386 M CA -1.195 54.174 55.300 0.115 0.000 0.988 386 M CB 1.342 33.987 32.600 0.075 0.000 1.673 386 M HN 0.150 nan 8.290 nan 0.000 0.441 387 F N 5.843 125.823 119.950 0.049 0.000 2.427 387 F HA 0.538 5.065 4.527 0.001 0.000 0.352 387 F C -1.123 174.716 175.800 0.065 0.000 1.100 387 F CA -0.209 57.822 58.000 0.051 0.000 1.191 387 F CB 0.517 39.542 39.000 0.042 0.000 1.128 387 F HN 0.426 nan 8.300 nan 0.000 0.533 388 I N 8.331 128.467 120.570 -0.722 0.000 2.468 388 I HA 0.299 4.470 4.170 0.001 0.000 0.285 388 I C -2.460 173.174 176.117 -0.804 0.000 1.039 388 I CA -2.065 58.912 61.300 -0.538 0.000 1.074 388 I CB 2.046 39.968 38.000 -0.130 0.000 1.228 388 I HN 0.402 nan 8.210 nan 0.000 0.436 389 P HA 0.178 nan 4.420 nan 0.000 0.282 389 P C -0.782 176.397 177.300 -0.200 0.000 1.259 389 P CA -0.768 62.085 63.100 -0.410 0.000 0.826 389 P CB 1.111 32.740 31.700 -0.118 0.000 1.064 390 K N 0.556 120.878 120.400 -0.131 0.000 2.550 390 K HA 0.137 4.457 4.320 0.001 0.000 0.280 390 K C 1.135 177.695 176.600 -0.067 0.000 0.987 390 K CA 1.489 57.719 56.287 -0.094 0.000 1.048 390 K CB -0.788 31.678 32.500 -0.057 0.000 0.879 390 K HN 0.821 nan 8.250 nan 0.000 0.491 391 G N 1.909 110.675 108.800 -0.058 0.000 2.232 391 G HA2 -0.240 3.721 3.960 0.001 0.000 0.226 391 G HA3 -0.240 3.721 3.960 0.001 0.000 0.226 391 G C -0.081 174.803 174.900 -0.027 0.000 0.996 391 G CA -0.027 45.053 45.100 -0.033 0.000 0.626 391 G HN 0.557 nan 8.290 nan 0.000 0.509 392 V N 1.894 121.786 119.914 -0.037 0.000 2.614 392 V HA 0.392 4.512 4.120 0.001 0.000 0.291 392 V C 1.144 177.237 176.094 -0.001 0.000 1.049 392 V CA -0.232 62.054 62.300 -0.025 0.000 1.038 392 V CB 1.707 33.517 31.823 -0.023 0.000 0.980 392 V HN 0.302 nan 8.190 nan 0.000 0.481 393 V N 6.822 126.725 119.914 -0.018 0.000 2.397 393 V HA 0.104 4.225 4.120 0.001 0.000 0.262 393 V C 0.248 176.310 176.094 -0.053 0.000 1.047 393 V CA -0.194 62.091 62.300 -0.024 0.000 1.003 393 V CB 1.049 32.849 31.823 -0.039 0.000 1.037 393 V HN 0.605 nan 8.190 nan 0.000 0.480 394 V N 7.064 126.960 119.914 -0.030 0.000 2.455 394 V HA 0.304 4.425 4.120 0.001 0.000 0.273 394 V C 0.282 176.292 176.094 -0.141 0.000 1.045 394 V CA -0.015 62.221 62.300 -0.107 0.000 0.976 394 V CB 1.172 32.901 31.823 -0.156 0.000 0.993 394 V HN 0.803 nan 8.190 nan 0.000 0.475 395 M N 6.612 126.107 119.600 -0.175 0.000 2.456 395 M HA 0.605 5.085 4.480 0.001 0.000 0.324 395 M C -1.380 174.809 176.300 -0.186 0.000 1.124 395 M CA -0.595 54.620 55.300 -0.142 0.000 0.959 395 M CB 1.778 34.339 32.600 -0.066 0.000 1.692 395 M HN 0.504 nan 8.290 nan 0.000 0.444 396 I N 7.423 127.906 120.570 -0.145 0.000 2.405 396 I HA 0.308 4.478 4.170 0.001 0.000 0.280 396 I C -1.951 174.103 176.117 -0.104 0.000 1.027 396 I CA -1.479 59.735 61.300 -0.143 0.000 1.161 396 I CB 1.777 39.701 38.000 -0.126 0.000 1.300 396 I HN 0.399 nan 8.210 nan 0.000 0.463 397 P HA 0.134 nan 4.420 nan 0.000 0.237 397 P C 0.565 177.836 177.300 -0.047 0.000 1.788 397 P CA 0.054 63.147 63.100 -0.012 0.000 1.061 397 P CB 0.668 32.420 31.700 0.088 0.000 1.967 398 S N 1.166 116.787 115.700 -0.131 0.000 2.372 398 S HA -0.239 4.232 4.470 0.001 0.000 0.227 398 S C 1.524 175.827 174.600 -0.495 0.000 1.044 398 S CA 1.292 59.299 58.200 -0.322 0.000 1.050 398 S CB -1.162 61.799 63.200 -0.398 0.000 0.901 398 S HN 0.413 nan 8.310 nan 0.000 0.447 399 Y N 2.065 122.133 120.300 -0.386 0.000 2.128 399 Y HA -0.200 4.350 4.550 0.001 0.000 0.284 399 Y C 2.434 178.258 175.900 -0.128 0.000 1.154 399 Y CA 1.270 59.198 58.100 -0.288 0.000 1.149 399 Y CB -0.754 37.603 38.460 -0.172 0.000 0.976 399 Y HN 0.224 nan 8.280 nan 0.000 0.505 400 A N 0.058 122.969 122.820 0.153 0.000 1.873 400 A HA -0.148 4.173 4.320 0.001 0.000 0.215 400 A C 2.243 179.904 177.584 0.129 0.000 1.186 400 A CA 1.768 53.900 52.037 0.159 0.000 0.616 400 A CB -1.178 17.947 19.000 0.209 0.000 0.823 400 A HN 0.532 nan 8.150 nan 0.000 0.442 401 L N -1.121 120.163 121.223 0.102 0.000 2.191 401 L HA -0.209 4.131 4.340 0.001 0.000 0.212 401 L C 2.329 179.475 176.870 0.461 0.000 1.103 401 L CA 1.259 56.234 54.840 0.224 0.000 0.769 401 L CB -0.703 41.436 42.059 0.133 0.000 0.908 401 L HN 0.545 nan 8.230 nan 0.000 0.438 402 H N -0.590 118.534 119.070 0.091 0.000 2.521 402 H HA -0.038 4.519 4.556 0.001 0.000 0.286 402 H C 1.584 176.646 175.328 -0.444 0.000 1.034 402 H CA 0.412 56.380 56.048 -0.133 0.000 1.278 402 H CB 0.307 29.880 29.762 -0.316 0.000 1.386 402 H HN 0.270 nan 8.280 nan 0.000 0.567 403 R N 0.302 120.783 120.500 -0.030 0.000 2.508 403 R HA 0.020 4.360 4.340 0.001 0.000 0.300 403 R C -0.242 176.173 176.300 0.192 0.000 0.970 403 R CA -0.218 55.845 56.100 -0.061 0.000 1.102 403 R CB 0.753 30.951 30.300 -0.171 0.000 1.246 403 R HN 0.085 nan 8.270 nan 0.000 0.539 404 D N 1.771 122.417 120.400 0.410 0.000 2.412 404 D HA 0.007 4.648 4.640 0.001 0.000 0.257 404 D C -1.675 174.856 176.300 0.386 0.000 1.217 404 D CA -1.890 52.375 54.000 0.440 0.000 0.897 404 D CB 1.437 42.589 40.800 0.586 0.000 1.132 404 D HN -0.060 nan 8.370 nan 0.000 0.493 405 P HA -0.095 nan 4.420 nan 0.000 0.228 405 P C 1.043 178.358 177.300 0.024 0.000 1.151 405 P CA 0.862 64.029 63.100 0.113 0.000 0.770 405 P CB 0.199 31.923 31.700 0.040 0.000 0.786 406 K N -1.032 119.342 120.400 -0.044 0.000 2.155 406 K HA -0.114 4.207 4.320 0.001 0.000 0.203 406 K C 1.083 177.400 176.600 -0.472 0.000 1.052 406 K CA 1.321 57.420 56.287 -0.313 0.000 0.948 406 K CB -0.250 31.942 32.500 -0.514 0.000 0.728 406 K HN 0.138 nan 8.250 nan 0.000 0.448 407 Y N -1.933 118.284 120.300 -0.139 0.000 2.442 407 Y HA 0.208 4.759 4.550 0.001 0.000 0.250 407 Y C -0.470 175.046 175.900 -0.639 0.000 1.113 407 Y CA -0.650 57.167 58.100 -0.470 0.000 1.273 407 Y CB 0.599 38.645 38.460 -0.689 0.000 1.138 407 Y HN -0.005 nan 8.280 nan 0.000 0.522 408 W N 0.169 121.498 121.300 0.048 0.000 2.998 408 W HA 0.473 5.134 4.660 0.001 0.000 0.335 408 W C -0.580 175.910 176.519 -0.048 0.000 1.110 408 W CA -1.431 55.895 57.345 -0.032 0.000 1.230 408 W CB 0.762 30.197 29.460 -0.042 0.000 1.405 408 W HN -0.320 nan 8.180 nan 0.000 0.493 409 T N -1.408 113.234 114.554 0.146 0.000 2.856 409 T HA 0.314 4.665 4.350 0.001 0.000 0.292 409 T C 0.193 174.931 174.700 0.063 0.000 0.980 409 T CA -0.482 61.659 62.100 0.069 0.000 1.091 409 T CB 0.972 69.851 68.868 0.019 0.000 0.936 409 T HN 0.637 nan 8.240 nan 0.000 0.503 410 E N 1.500 121.725 120.200 0.041 0.000 2.197 410 E HA -0.150 4.200 4.350 0.001 0.000 0.184 410 E C -1.690 174.916 176.600 0.011 0.000 1.439 410 E CA 0.122 56.537 56.400 0.024 0.000 0.688 410 E CB -1.145 28.565 29.700 0.017 0.000 1.090 410 E HN 0.636 nan 8.360 nan 0.000 0.341 411 P HA -0.211 nan 4.420 nan 0.000 0.221 411 P C 0.762 177.996 177.300 -0.110 0.000 1.145 411 P CA 1.502 64.569 63.100 -0.055 0.000 0.795 411 P CB 0.250 31.945 31.700 -0.008 0.000 0.775 412 E N -0.437 119.732 120.200 -0.052 0.000 2.158 412 E HA -0.026 4.324 4.350 0.001 0.000 0.191 412 E C 0.848 177.448 176.600 0.000 0.000 0.982 412 E CA 0.718 57.094 56.400 -0.040 0.000 0.823 412 E CB -0.589 29.110 29.700 -0.001 0.000 0.766 412 E HN 0.199 nan 8.360 nan 0.000 0.468 413 K N 0.902 121.315 120.400 0.021 0.000 2.295 413 K HA 0.112 4.432 4.320 0.001 0.000 0.270 413 K C -0.488 176.152 176.600 0.066 0.000 1.011 413 K CA -0.495 55.839 56.287 0.079 0.000 0.953 413 K CB 0.428 32.967 32.500 0.065 0.000 0.956 413 K HN 0.073 nan 8.250 nan 0.000 0.477 414 F N 4.339 124.259 119.950 -0.050 0.000 2.423 414 F HA 0.209 4.737 4.527 0.001 0.000 0.356 414 F C -0.636 175.049 175.800 -0.192 0.000 1.170 414 F CA -0.496 57.397 58.000 -0.178 0.000 1.163 414 F CB -0.114 38.685 39.000 -0.335 0.000 1.318 414 F HN 0.250 nan 8.300 nan 0.000 0.569 415 L N 9.152 130.087 121.223 -0.479 0.000 2.417 415 L HA 0.333 4.674 4.340 0.001 0.000 0.259 415 L C -1.835 174.785 176.870 -0.416 0.000 1.023 415 L CA -1.654 52.962 54.840 -0.373 0.000 0.901 415 L CB 1.374 43.340 42.059 -0.154 0.000 1.227 415 L HN 0.342 nan 8.230 nan 0.000 0.454 416 P HA -0.188 nan 4.420 nan 0.000 0.218 416 P C 1.133 178.352 177.300 -0.134 0.000 1.146 416 P CA 1.060 63.913 63.100 -0.412 0.000 0.813 416 P CB 0.301 31.665 31.700 -0.561 0.000 0.778 417 E N -0.372 119.777 120.200 -0.085 0.000 2.331 417 E HA -0.182 4.168 4.350 0.001 0.000 0.199 417 E C 1.874 178.442 176.600 -0.053 0.000 1.008 417 E CA 0.809 57.199 56.400 -0.016 0.000 0.843 417 E CB -0.421 29.279 29.700 -0.000 0.000 0.761 417 E HN 0.401 nan 8.360 nan 0.000 0.507 418 R N -0.441 119.992 120.500 -0.112 0.000 2.139 418 R HA -0.120 4.221 4.340 0.001 0.000 0.243 418 R C 1.534 177.617 176.300 -0.362 0.000 1.145 418 R CA 1.154 57.104 56.100 -0.250 0.000 0.976 418 R CB -0.297 29.763 30.300 -0.399 0.000 0.866 418 R HN 0.137 nan 8.270 nan 0.000 0.449 419 F N 0.796 120.671 119.950 -0.126 0.000 2.660 419 F HA 0.112 4.640 4.527 0.001 0.000 0.302 419 F C 1.066 176.811 175.800 -0.092 0.000 1.103 419 F CA -0.456 57.464 58.000 -0.132 0.000 1.340 419 F CB 0.110 38.997 39.000 -0.189 0.000 1.048 419 F HN -0.091 nan 8.300 nan 0.000 0.551 420 S N -0.771 114.957 115.700 0.045 0.000 2.600 420 S HA 0.136 4.607 4.470 0.001 0.000 0.265 420 S C 1.398 176.006 174.600 0.014 0.000 1.325 420 S CA -0.694 57.529 58.200 0.039 0.000 1.002 420 S CB 1.295 64.517 63.200 0.036 0.000 0.921 420 S HN 0.115 nan 8.310 nan 0.000 0.554 421 K N 1.583 121.994 120.400 0.018 0.000 2.089 421 K HA -0.188 4.133 4.320 0.001 0.000 0.210 421 K C 2.191 178.785 176.600 -0.011 0.000 1.048 421 K CA 2.298 58.588 56.287 0.005 0.000 0.926 421 K CB -0.297 32.208 32.500 0.008 0.000 0.714 421 K HN 0.849 nan 8.250 nan 0.000 0.448 422 K N -0.591 119.801 120.400 -0.013 0.000 2.103 422 K HA -0.016 4.304 4.320 0.001 0.000 0.204 422 K C 1.030 177.605 176.600 -0.043 0.000 1.052 422 K CA 1.407 57.679 56.287 -0.024 0.000 0.945 422 K CB -0.081 32.407 32.500 -0.019 0.000 0.722 422 K HN 0.002 nan 8.250 nan 0.000 0.443 423 N N 1.097 119.764 118.700 -0.055 0.000 2.336 423 N HA 0.008 4.748 4.740 0.001 0.000 0.189 423 N C 1.125 176.556 175.510 -0.132 0.000 1.113 423 N CA 0.407 53.402 53.050 -0.093 0.000 0.858 423 N CB 0.482 38.907 38.487 -0.103 0.000 0.970 423 N HN 0.319 nan 8.380 nan 0.000 0.471 424 K N 0.964 121.306 120.400 -0.098 0.000 2.103 424 K HA -0.099 4.221 4.320 0.001 0.000 0.204 424 K C 0.340 176.876 176.600 -0.107 0.000 1.052 424 K CA 1.348 57.575 56.287 -0.100 0.000 0.945 424 K CB 0.230 32.712 32.500 -0.030 0.000 0.722 424 K HN 0.194 nan 8.250 nan 0.000 0.443 425 D N -1.198 119.151 120.400 -0.085 0.000 2.350 425 D HA -0.100 4.541 4.640 0.001 0.000 0.213 425 D C 0.929 177.176 176.300 -0.088 0.000 1.031 425 D CA 0.332 54.291 54.000 -0.070 0.000 0.861 425 D CB -0.333 40.441 40.800 -0.043 0.000 0.926 425 D HN 0.378 nan 8.370 nan 0.000 0.520 426 N N 0.568 119.194 118.700 -0.123 0.000 2.467 426 N HA -0.024 4.717 4.740 0.001 0.000 0.184 426 N C 0.127 175.512 175.510 -0.208 0.000 1.106 426 N CA -0.170 52.797 53.050 -0.139 0.000 0.892 426 N CB -0.082 38.321 38.487 -0.139 0.000 0.969 426 N HN 0.124 nan 8.380 nan 0.000 0.454 427 I N 1.264 121.678 120.570 -0.259 0.000 2.517 427 I HA -0.028 4.142 4.170 0.001 0.000 0.285 427 I C 0.093 176.077 176.117 -0.221 0.000 1.106 427 I CA -0.159 60.923 61.300 -0.363 0.000 1.402 427 I CB 0.337 38.126 38.000 -0.352 0.000 1.399 427 I HN 0.233 nan 8.210 nan 0.000 0.535 428 D N 9.795 130.041 120.400 -0.257 0.000 2.295 428 D HA 0.133 4.773 4.640 0.001 0.000 0.248 428 D C -1.487 174.761 176.300 -0.087 0.000 1.154 428 D CA -1.803 52.113 54.000 -0.139 0.000 0.857 428 D CB 1.780 42.468 40.800 -0.185 0.000 1.117 428 D HN 0.289 nan 8.370 nan 0.000 0.468 429 P HA -0.124 nan 4.420 nan 0.000 0.228 429 P C 0.361 177.403 177.300 -0.430 0.000 1.151 429 P CA 0.939 63.899 63.100 -0.234 0.000 0.770 429 P CB -0.014 31.454 31.700 -0.388 0.000 0.786 430 Y N -2.004 118.287 120.300 -0.015 0.000 2.467 430 Y HA 0.162 4.712 4.550 0.001 0.000 0.250 430 Y C 2.189 178.049 175.900 -0.067 0.000 1.155 430 Y CA -0.337 57.740 58.100 -0.038 0.000 1.249 430 Y CB 0.038 38.462 38.460 -0.060 0.000 1.146 430 Y HN -0.182 nan 8.280 nan 0.000 0.524 431 I N -1.181 119.387 120.570 -0.004 0.000 2.556 431 I HA -0.121 4.049 4.170 0.001 0.000 0.251 431 I C 0.338 176.624 176.117 0.282 0.000 1.105 431 I CA 0.457 61.735 61.300 -0.036 0.000 1.436 431 I CB -0.705 37.024 38.000 -0.452 0.000 1.139 431 I HN 0.067 nan 8.210 nan 0.000 0.438 432 Y N 3.178 123.568 120.300 0.149 0.000 2.452 432 Y HA 0.273 4.823 4.550 0.001 0.000 0.348 432 Y C 0.107 176.104 175.900 0.162 0.000 0.985 432 Y CA -0.197 58.007 58.100 0.173 0.000 1.214 432 Y CB 0.450 39.053 38.460 0.239 0.000 1.136 432 Y HN 0.124 nan 8.280 nan 0.000 0.523 433 T N 4.381 118.947 114.554 0.020 0.000 3.816 433 T HA 0.225 4.576 4.350 0.001 0.000 0.232 433 T C -2.441 172.163 174.700 -0.159 0.000 1.125 433 T CA -1.229 60.820 62.100 -0.085 0.000 1.609 433 T CB 0.689 69.551 68.868 -0.010 0.000 0.805 433 T HN 0.473 nan 8.240 nan 0.000 0.647 434 P HA 0.185 nan 4.420 nan 0.000 0.233 434 P C 0.143 177.069 177.300 -0.623 0.000 1.167 434 P CA 0.269 63.098 63.100 -0.452 0.000 0.770 434 P CB -0.187 31.154 31.700 -0.598 0.000 0.837 435 F N -0.428 119.432 119.950 -0.151 0.000 2.764 435 F HA 0.446 4.974 4.527 0.001 0.000 0.310 435 F C 1.660 177.415 175.800 -0.075 0.000 1.124 435 F CA 0.201 58.142 58.000 -0.099 0.000 1.252 435 F CB 0.094 39.043 39.000 -0.084 0.000 1.010 435 F HN 0.002 nan 8.300 nan 0.000 0.518 436 G N 0.894 109.704 108.800 0.017 0.000 2.601 436 G HA2 -0.062 3.899 3.960 0.001 0.000 0.252 436 G HA3 -0.062 3.899 3.960 0.001 0.000 0.252 436 G C -0.221 174.697 174.900 0.030 0.000 1.294 436 G CA -0.047 45.057 45.100 0.006 0.000 0.912 436 G HN 0.620 nan 8.290 nan 0.000 0.574 437 S N -1.841 113.879 115.700 0.034 0.000 2.587 437 S HA 0.767 5.238 4.470 0.001 0.000 0.269 437 S C 0.494 175.131 174.600 0.062 0.000 1.154 437 S CA 1.153 59.380 58.200 0.047 0.000 0.824 437 S CB 0.935 64.168 63.200 0.055 0.000 1.118 437 S HN 3.088 nan 8.310 nan 0.000 0.462 438 G N 2.975 111.823 108.800 0.080 0.000 2.698 438 G HA2 -0.145 3.815 3.960 0.001 0.000 0.233 438 G HA3 -0.145 3.815 3.960 0.001 0.000 0.233 438 G C -2.151 172.793 174.900 0.074 0.000 1.352 438 G CA -0.027 45.116 45.100 0.072 0.000 0.879 438 G HN 0.643 nan 8.290 nan 0.000 0.567 439 P HA -0.097 nan 4.420 nan 0.000 0.217 439 P C 1.591 179.051 177.300 0.266 0.000 1.151 439 P CA 1.954 65.133 63.100 0.132 0.000 0.849 439 P CB 0.014 31.684 31.700 -0.050 0.000 0.787 440 R N -0.515 120.088 120.500 0.171 0.000 2.586 440 R HA 0.071 4.412 4.340 0.001 0.000 0.306 440 R C 0.610 176.981 176.300 0.118 0.000 1.079 440 R CA -0.331 55.879 56.100 0.183 0.000 1.083 440 R CB -0.607 29.595 30.300 -0.164 0.000 1.306 440 R HN 0.235 nan 8.270 nan 0.000 0.567 441 N N -0.571 118.206 118.700 0.129 0.000 2.290 441 N HA -0.099 4.641 4.740 0.001 0.000 0.269 441 N C -0.391 175.200 175.510 0.136 0.000 1.295 441 N CA -0.498 52.616 53.050 0.107 0.000 0.932 441 N CB -0.102 38.443 38.487 0.097 0.000 1.128 441 N HN 0.041 nan 8.380 nan 0.000 0.532 442 C N 0.659 120.047 119.300 0.147 0.000 2.648 442 C HA 0.142 4.603 4.460 0.001 0.000 0.406 442 C C 2.183 177.247 174.990 0.123 0.000 1.406 442 C CA -0.617 58.495 59.018 0.158 0.000 1.610 442 C CB -2.206 25.715 27.740 0.302 0.000 2.451 442 C HN 0.685 nan 8.230 nan 0.000 0.608 443 I N 4.517 125.172 120.570 0.141 0.000 2.614 443 I HA 0.022 4.192 4.170 0.001 0.000 0.258 443 I C 2.007 178.231 176.117 0.179 0.000 1.189 443 I CA 1.843 63.262 61.300 0.198 0.000 1.462 443 I CB 0.053 38.218 38.000 0.276 0.000 1.092 443 I HN 0.922 nan 8.210 nan 0.000 0.442 444 G N -0.330 108.467 108.800 -0.004 0.000 3.126 444 G HA2 -0.038 3.922 3.960 0.001 0.000 0.224 444 G HA3 -0.038 3.922 3.960 0.001 0.000 0.224 444 G C 1.375 176.132 174.900 -0.238 0.000 1.142 444 G CA -0.161 44.782 45.100 -0.262 0.000 0.759 444 G HN 0.271 nan 8.290 nan 0.000 0.550 445 M N 0.435 119.895 119.600 -0.233 0.000 2.151 445 M HA -0.211 4.269 4.480 0.001 0.000 0.256 445 M C 2.640 178.636 176.300 -0.508 0.000 1.072 445 M CA 1.758 56.661 55.300 -0.661 0.000 1.090 445 M CB -0.095 32.032 32.600 -0.788 0.000 1.294 445 M HN 0.194 nan 8.290 nan 0.000 0.415 446 R N -1.140 119.195 120.500 -0.275 0.000 2.115 446 R HA -0.123 4.217 4.340 0.001 0.000 0.230 446 R C 2.130 178.365 176.300 -0.108 0.000 1.111 446 R CA 1.700 57.709 56.100 -0.150 0.000 0.976 446 R CB -0.523 29.776 30.300 -0.000 0.000 0.870 446 R HN 0.491 nan 8.270 nan 0.000 0.445 447 F N 1.376 121.105 119.950 -0.367 0.000 2.051 447 F HA -0.197 4.330 4.527 0.001 0.000 0.296 447 F C 2.357 177.986 175.800 -0.285 0.000 1.122 447 F CA 1.600 59.350 58.000 -0.417 0.000 1.201 447 F CB -0.301 38.078 39.000 -1.034 0.000 0.978 447 F HN -0.021 nan 8.300 nan 0.000 0.472 448 A N 1.034 123.626 122.820 -0.380 0.000 1.883 448 A HA -0.199 4.122 4.320 0.001 0.000 0.217 448 A C 2.268 179.682 177.584 -0.284 0.000 1.186 448 A CA 2.040 53.874 52.037 -0.339 0.000 0.624 448 A CB -1.372 17.601 19.000 -0.045 0.000 0.822 448 A HN 0.548 nan 8.150 nan 0.000 0.444 449 L N -1.407 119.681 121.223 -0.224 0.000 2.012 449 L HA -0.250 4.091 4.340 0.001 0.000 0.210 449 L C 2.891 179.639 176.870 -0.205 0.000 1.073 449 L CA 1.980 56.712 54.840 -0.180 0.000 0.748 449 L CB -0.397 41.540 42.059 -0.202 0.000 0.891 449 L HN 0.568 nan 8.230 nan 0.000 0.431 450 M N -0.352 119.109 119.600 -0.232 0.000 2.077 450 M HA -0.247 4.234 4.480 0.001 0.000 0.261 450 M C 2.177 178.349 176.300 -0.214 0.000 1.070 450 M CA 1.909 57.095 55.300 -0.190 0.000 1.125 450 M CB -0.407 32.141 32.600 -0.087 0.000 1.339 450 M HN 0.332 nan 8.290 nan 0.000 0.409 451 N N 0.011 118.479 118.700 -0.387 0.000 2.104 451 N HA -0.201 4.539 4.740 0.001 0.000 0.190 451 N C 1.731 177.142 175.510 -0.164 0.000 1.024 451 N CA 1.680 54.527 53.050 -0.339 0.000 0.853 451 N CB -0.050 38.013 38.487 -0.707 0.000 1.008 451 N HN 0.421 nan 8.380 nan 0.000 0.424 452 M N 0.667 120.138 119.600 -0.215 0.000 2.086 452 M HA -0.142 4.338 4.480 0.001 0.000 0.261 452 M C 2.110 178.305 176.300 -0.176 0.000 1.067 452 M CA 1.517 56.700 55.300 -0.195 0.000 1.116 452 M CB -0.177 32.309 32.600 -0.190 0.000 1.348 452 M HN 0.071 nan 8.290 nan 0.000 0.407 453 K N 0.149 120.461 120.400 -0.147 0.000 2.026 453 K HA -0.140 4.181 4.320 0.001 0.000 0.208 453 K C 1.881 178.430 176.600 -0.085 0.000 1.048 453 K CA 1.044 57.260 56.287 -0.118 0.000 0.929 453 K CB -0.267 32.163 32.500 -0.117 0.000 0.713 453 K HN 0.083 nan 8.250 nan 0.000 0.439 454 L N 1.160 122.347 121.223 -0.060 0.000 2.021 454 L HA -0.259 4.081 4.340 0.001 0.000 0.215 454 L C 2.336 179.202 176.870 -0.006 0.000 1.074 454 L CA 2.003 56.843 54.840 -0.000 0.000 0.760 454 L CB -1.076 41.015 42.059 0.055 0.000 0.889 454 L HN 0.197 nan 8.230 nan 0.000 0.433 455 A N -1.195 121.588 122.820 -0.062 0.000 1.845 455 A HA -0.197 4.124 4.320 0.001 0.000 0.215 455 A C 2.154 179.646 177.584 -0.152 0.000 1.195 455 A CA 1.667 53.571 52.037 -0.221 0.000 0.616 455 A CB -0.889 17.840 19.000 -0.451 0.000 0.832 455 A HN 0.310 nan 8.150 nan 0.000 0.443 456 L N -0.181 120.939 121.223 -0.172 0.000 2.021 456 L HA -0.221 4.119 4.340 0.001 0.000 0.215 456 L C 2.470 179.320 176.870 -0.033 0.000 1.074 456 L CA 1.701 56.467 54.840 -0.122 0.000 0.760 456 L CB -1.129 40.851 42.059 -0.132 0.000 0.889 456 L HN 0.440 nan 8.230 nan 0.000 0.433 457 I N -1.199 119.356 120.570 -0.026 0.000 2.099 457 I HA -0.322 3.849 4.170 0.001 0.000 0.239 457 I C 2.595 178.728 176.117 0.026 0.000 1.066 457 I CA 1.024 62.326 61.300 0.003 0.000 1.324 457 I CB -0.321 37.678 38.000 -0.002 0.000 1.037 457 I HN 0.227 nan 8.210 nan 0.000 0.401 458 R N 0.359 120.879 120.500 0.033 0.000 2.105 458 R HA -0.108 4.232 4.340 0.001 0.000 0.239 458 R C 2.249 178.613 176.300 0.105 0.000 1.135 458 R CA 1.081 57.216 56.100 0.057 0.000 0.967 458 R CB -1.150 29.192 30.300 0.071 0.000 0.861 458 R HN 0.289 nan 8.270 nan 0.000 0.442 459 V N 1.021 121.032 119.914 0.162 0.000 2.270 459 V HA -0.182 3.938 4.120 0.001 0.000 0.245 459 V C 2.234 178.522 176.094 0.324 0.000 1.043 459 V CA 1.303 63.815 62.300 0.355 0.000 1.014 459 V CB -0.360 31.660 31.823 0.328 0.000 0.645 459 V HN 0.108 nan 8.190 nan 0.000 0.447 460 L N 0.608 121.939 121.223 0.179 0.000 2.291 460 L HA -0.110 4.230 4.340 0.001 0.000 0.214 460 L C 2.484 179.393 176.870 0.065 0.000 1.120 460 L CA 1.678 56.607 54.840 0.149 0.000 0.799 460 L CB -1.177 40.938 42.059 0.095 0.000 0.925 460 L HN 0.642 nan 8.230 nan 0.000 0.446 461 Q N -2.364 117.442 119.800 0.009 0.000 2.451 461 Q HA -0.019 4.322 4.340 0.001 0.000 0.206 461 Q C 0.936 176.845 176.000 -0.152 0.000 0.947 461 Q CA 0.745 56.519 55.803 -0.047 0.000 0.937 461 Q CB 0.012 28.730 28.738 -0.034 0.000 1.025 461 Q HN 0.463 nan 8.270 nan 0.000 0.511 462 N N -0.599 117.922 118.700 -0.298 0.000 2.445 462 N HA 0.181 4.921 4.740 0.001 0.000 0.204 462 N C -0.680 174.341 175.510 -0.814 0.000 1.098 462 N CA 0.345 52.962 53.050 -0.723 0.000 0.859 462 N CB 0.689 38.414 38.487 -1.270 0.000 1.249 462 N HN 0.074 nan 8.380 nan 0.000 0.462 463 F N 0.487 120.487 119.950 0.082 0.000 2.577 463 F HA 0.496 5.024 4.527 0.001 0.000 0.318 463 F C 0.084 175.966 175.800 0.138 0.000 1.065 463 F CA -0.908 57.124 58.000 0.054 0.000 0.929 463 F CB 1.749 40.745 39.000 -0.007 0.000 1.237 463 F HN -0.396 nan 8.300 nan 0.000 0.468 464 S N 1.234 117.083 115.700 0.249 0.000 2.482 464 S HA 0.663 5.133 4.470 0.001 0.000 0.303 464 S C -1.212 173.475 174.600 0.145 0.000 1.091 464 S CA -0.581 57.764 58.200 0.242 0.000 1.057 464 S CB 0.755 64.032 63.200 0.127 0.000 1.031 464 S HN 0.382 nan 8.310 nan 0.000 0.485 465 F N 2.518 122.508 119.950 0.066 0.000 2.436 465 F HA 0.519 5.046 4.527 0.001 0.000 0.340 465 F C 0.738 176.541 175.800 0.005 0.000 1.113 465 F CA -0.742 57.275 58.000 0.029 0.000 1.022 465 F CB 1.138 40.156 39.000 0.029 0.000 1.128 465 F HN 0.113 nan 8.300 nan 0.000 0.466 466 K N 3.896 124.354 120.400 0.096 0.000 2.318 466 K HA 0.472 4.793 4.320 0.001 0.000 0.249 466 K C -2.815 173.804 176.600 0.032 0.000 0.942 466 K CA -2.237 54.078 56.287 0.045 0.000 0.808 466 K CB 2.132 34.636 32.500 0.007 0.000 1.189 466 K HN 0.180 nan 8.250 nan 0.000 0.428 467 P HA 0.162 nan 4.420 nan 0.000 0.275 467 P C -0.011 177.291 177.300 0.002 0.000 1.227 467 P CA -0.393 62.710 63.100 0.005 0.000 0.781 467 P CB 0.464 32.149 31.700 -0.025 0.000 0.906 468 C N 1.860 121.165 119.300 0.008 0.000 2.656 468 C HA 0.502 4.963 4.460 0.001 0.000 0.404 468 C C 1.597 176.590 174.990 0.006 0.000 1.423 468 C CA -0.834 58.184 59.018 -0.001 0.000 1.784 468 C CB 0.321 28.055 27.740 -0.011 0.000 2.093 468 C HN 0.442 nan 8.230 nan 0.000 0.492 469 K N -0.084 120.317 120.400 0.001 0.000 2.551 469 K HA 0.050 4.370 4.320 0.001 0.000 0.192 469 K C 1.348 177.953 176.600 0.007 0.000 1.027 469 K CA 0.696 56.986 56.287 0.005 0.000 1.059 469 K CB -0.111 32.389 32.500 0.000 0.000 0.831 469 K HN 0.652 nan 8.250 nan 0.000 0.508 470 E N -0.337 119.868 120.200 0.008 0.000 2.476 470 E HA 0.025 4.376 4.350 0.001 0.000 0.199 470 E C -0.479 176.133 176.600 0.021 0.000 1.021 470 E CA 0.131 56.536 56.400 0.009 0.000 0.907 470 E CB 0.821 30.521 29.700 -0.000 0.000 0.974 470 E HN 0.046 nan 8.360 nan 0.000 0.489 471 T N 1.493 116.069 114.554 0.036 0.000 2.749 471 T HA 0.076 4.426 4.350 0.001 0.000 0.295 471 T C -0.105 174.648 174.700 0.087 0.000 0.936 471 T CA -0.196 61.947 62.100 0.071 0.000 1.060 471 T CB 1.224 70.145 68.868 0.089 0.000 0.904 471 T HN 0.046 nan 8.240 nan 0.000 0.500 472 Q N 3.895 123.748 119.800 0.088 0.000 2.300 472 Q HA 0.261 4.602 4.340 0.001 0.000 0.262 472 Q C -0.915 175.184 176.000 0.164 0.000 1.109 472 Q CA 0.169 56.019 55.803 0.079 0.000 0.905 472 Q CB -0.064 28.685 28.738 0.018 0.000 1.280 472 Q HN 0.614 nan 8.270 nan 0.000 0.426 473 I N 6.992 127.647 120.570 0.141 0.000 2.418 473 I HA 0.403 4.573 4.170 0.001 0.000 0.287 473 I C -1.653 174.532 176.117 0.113 0.000 1.008 473 I CA -2.067 59.336 61.300 0.171 0.000 1.104 473 I CB 1.430 39.500 38.000 0.117 0.000 1.264 473 I HN 0.652 nan 8.210 nan 0.000 0.438 474 P HA 0.280 nan 4.420 nan 0.000 0.277 474 P C -0.650 176.740 177.300 0.151 0.000 1.271 474 P CA -0.644 62.574 63.100 0.197 0.000 0.795 474 P CB 1.242 33.037 31.700 0.160 0.000 1.101 475 L N 0.539 121.835 121.223 0.121 0.000 2.410 475 L HA 0.152 4.492 4.340 0.001 0.000 0.273 475 L C 0.600 177.490 176.870 0.035 0.000 1.152 475 L CA -0.031 54.757 54.840 -0.087 0.000 0.855 475 L CB 0.285 42.101 42.059 -0.405 0.000 1.129 475 L HN 0.424 nan 8.230 nan 0.000 0.463 476 K N 4.071 124.480 120.400 0.015 0.000 2.182 476 K HA 0.468 4.788 4.320 0.001 0.000 0.262 476 K C -1.118 175.515 176.600 0.056 0.000 0.957 476 K CA -0.918 55.395 56.287 0.044 0.000 0.842 476 K CB 1.979 34.495 32.500 0.027 0.000 1.099 476 K HN 0.267 nan 8.250 nan 0.000 0.438 477 L N 1.856 123.125 121.223 0.077 0.000 2.334 477 L HA 0.259 4.600 4.340 0.001 0.000 0.277 477 L C 0.664 177.561 176.870 0.045 0.000 1.075 477 L CA 0.081 54.974 54.840 0.089 0.000 0.804 477 L CB 1.375 43.487 42.059 0.089 0.000 1.174 477 L HN 0.756 nan 8.230 nan 0.000 0.438 478 S N 2.663 118.394 115.700 0.052 0.000 2.661 478 S HA 0.538 5.009 4.470 0.001 0.000 0.265 478 S C 0.150 174.773 174.600 0.037 0.000 1.225 478 S CA -0.679 57.548 58.200 0.044 0.000 0.986 478 S CB 0.406 63.640 63.200 0.056 0.000 1.008 478 S HN 0.414 nan 8.310 nan 0.000 0.565 479 L N 1.390 122.649 121.223 0.061 0.000 2.783 479 L HA 0.495 4.835 4.340 0.001 0.000 0.235 479 L C 0.817 177.766 176.870 0.132 0.000 1.260 479 L CA -0.605 54.277 54.840 0.070 0.000 1.184 479 L CB -0.733 41.375 42.059 0.081 0.000 1.472 479 L HN 0.832 nan 8.230 nan 0.000 0.426 480 G N -0.617 108.212 108.800 0.047 0.000 2.705 480 G HA2 0.477 4.437 3.960 0.001 0.000 0.299 480 G HA3 0.477 4.437 3.960 0.001 0.000 0.299 480 G C 0.752 175.497 174.900 -0.257 0.000 1.315 480 G CA 0.020 45.067 45.100 -0.089 0.000 1.045 480 G HN 0.261 nan 8.290 nan 0.000 0.517 481 G N -1.291 107.256 108.800 -0.421 0.000 2.408 481 G HA2 0.180 4.141 3.960 0.001 0.000 0.215 481 G HA3 0.180 4.141 3.960 0.001 0.000 0.215 481 G C 0.665 175.386 174.900 -0.298 0.000 1.156 481 G CA 0.275 45.102 45.100 -0.455 0.000 0.793 481 G HN 0.347 nan 8.290 nan 0.000 0.535 482 L N -0.216 120.915 121.223 -0.153 0.000 2.313 482 L HA 0.504 4.844 4.340 0.001 0.000 0.268 482 L C -0.545 176.300 176.870 -0.042 0.000 1.010 482 L CA -1.225 53.560 54.840 -0.092 0.000 0.814 482 L CB 2.050 44.100 42.059 -0.014 0.000 1.304 482 L HN -0.026 nan 8.230 nan 0.000 0.441 483 L N 1.798 123.012 121.223 -0.016 0.000 2.410 483 L HA 0.234 4.575 4.340 0.001 0.000 0.273 483 L C -0.417 176.560 176.870 0.179 0.000 1.144 483 L CA 0.929 55.798 54.840 0.049 0.000 0.863 483 L CB 0.455 42.524 42.059 0.016 0.000 1.140 483 L HN 0.558 nan 8.230 nan 0.000 0.463 484 Q N 5.922 125.841 119.800 0.197 0.000 2.386 484 Q HA 0.515 4.856 4.340 0.001 0.000 0.274 484 Q C -2.719 173.374 176.000 0.155 0.000 1.011 484 Q CA -1.586 54.326 55.803 0.182 0.000 0.867 484 Q CB 2.857 31.635 28.738 0.067 0.000 1.409 484 Q HN 0.359 nan 8.270 nan 0.000 0.395 485 P HA 0.092 nan 4.420 nan 0.000 0.282 485 P C -1.247 176.042 177.300 -0.019 0.000 1.249 485 P CA -0.272 62.834 63.100 0.009 0.000 0.806 485 P CB 0.960 32.586 31.700 -0.123 0.000 0.984 486 E N 3.031 123.230 120.200 -0.002 0.000 2.301 486 E HA 0.158 4.509 4.350 0.001 0.000 0.275 486 E C -0.782 175.803 176.600 -0.023 0.000 1.030 486 E CA -0.439 55.960 56.400 -0.003 0.000 0.852 486 E CB 0.422 30.130 29.700 0.014 0.000 1.060 486 E HN 0.379 nan 8.360 nan 0.000 0.401 487 K N 2.219 122.605 120.400 -0.023 0.000 6.399 487 K HA -0.061 4.259 4.320 0.001 0.000 0.786 487 K C -2.408 174.151 176.600 -0.067 0.000 1.948 487 K CA 0.188 56.455 56.287 -0.034 0.000 1.668 487 K CB -0.926 31.559 32.500 -0.025 0.000 2.091 487 K HN 0.604 nan 8.250 nan 0.000 0.304 488 P HA -0.045 nan 4.420 nan 0.000 0.266 488 P C -0.008 177.230 177.300 -0.104 0.000 1.193 488 P CA -0.187 62.854 63.100 -0.098 0.000 0.770 488 P CB 0.488 32.149 31.700 -0.066 0.000 0.836 489 V N 3.745 123.570 119.914 -0.149 0.000 2.479 489 V HA 0.038 4.158 4.120 0.001 0.000 0.281 489 V C 0.723 176.792 176.094 -0.041 0.000 1.031 489 V CA 0.166 62.403 62.300 -0.105 0.000 1.038 489 V CB 0.633 32.364 31.823 -0.152 0.000 0.981 489 V HN 0.240 nan 8.190 nan 0.000 0.478 490 V N 7.210 127.124 119.914 -0.001 0.000 2.495 490 V HA 0.601 4.722 4.120 0.001 0.000 0.298 490 V C -0.137 175.980 176.094 0.038 0.000 1.031 490 V CA -0.451 61.852 62.300 0.005 0.000 0.871 490 V CB 1.726 33.544 31.823 -0.007 0.000 0.988 490 V HN 0.665 nan 8.190 nan 0.000 0.432 491 L N 3.129 124.375 121.223 0.039 0.000 2.415 491 L HA 0.615 4.955 4.340 0.001 0.000 0.256 491 L C -0.554 176.307 176.870 -0.016 0.000 1.010 491 L CA -0.920 53.957 54.840 0.062 0.000 0.826 491 L CB 2.772 44.947 42.059 0.194 0.000 1.405 491 L HN 0.498 nan 8.230 nan 0.000 0.410 492 K N 0.633 121.007 120.400 -0.042 0.000 2.172 492 K HA 0.589 4.909 4.320 0.001 0.000 0.276 492 K C -1.287 175.159 176.600 -0.257 0.000 1.013 492 K CA -0.410 55.805 56.287 -0.120 0.000 0.913 492 K CB 1.495 33.948 32.500 -0.078 0.000 1.055 492 K HN 0.306 nan 8.250 nan 0.000 0.461 493 V N 4.197 123.891 119.914 -0.367 0.000 2.384 493 V HA 0.281 4.402 4.120 0.001 0.000 0.287 493 V C -0.672 175.225 176.094 -0.328 0.000 1.020 493 V CA -0.687 61.249 62.300 -0.608 0.000 0.850 493 V CB 1.452 32.789 31.823 -0.810 0.000 0.987 493 V HN 0.825 nan 8.190 nan 0.000 0.436 494 E N 2.145 122.213 120.200 -0.220 0.000 2.199 494 E HA 0.472 4.822 4.350 0.001 0.000 0.269 494 E C -0.358 176.307 176.600 0.108 0.000 0.899 494 E CA -0.347 56.025 56.400 -0.047 0.000 0.772 494 E CB 2.104 31.788 29.700 -0.027 0.000 1.155 494 E HN 0.690 nan 8.360 nan 0.000 0.408 495 S N 2.745 118.533 115.700 0.147 0.000 2.600 495 S HA 0.226 4.697 4.470 0.001 0.000 0.265 495 S C 0.242 174.866 174.600 0.039 0.000 1.325 495 S CA -0.358 57.935 58.200 0.156 0.000 1.002 495 S CB 0.622 63.889 63.200 0.111 0.000 0.921 495 S HN 0.391 nan 8.310 nan 0.000 0.554 496 R N 0.000 120.481 120.500 -0.032 0.000 2.786 496 R HA 0.000 4.340 4.340 0.001 0.000 0.208 496 R CA 0.000 56.083 56.100 -0.029 0.000 0.921 496 R CB 0.000 30.270 30.300 -0.050 0.000 0.687 496 R HN 0.000 nan 8.270 nan 0.000 0.535