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 3kzw_1_F DATA FIRST_RESID -2 DATA SEQUENCE SNAMNFKLNN TLSNEINTLI IGIPEHLNQL ERISFNHIDI TESLERLKHQ DATA SEQUENCE HIIGSKVGKI YTTAFDVQDQ TYRLITVGLG NLKTRSYQDM LKIWGHLFQY DATA SEQUENCE IKSEHIEDTY LLMDSFISKY DQLSDVLMAC GIQSERATYE FDHYKSSKKA DATA SEQUENCE PFKTNLNLIS ESLIELDFIH EGISIGQSIN LARDFSNMPP NVLTPQTFAE DATA SEQUENCE DIVNHFKNTK VKVDVKDYDT LVSEGFGLLQ AVGKGSKHKP RLVTITYNGK DATA SEQUENCE DKDEAPIALV GKGITYDSGG YSIKTKNGMA TMKFDMCGAA NVVGIIEAAS DATA SEQUENCE RLQLPVNIVG VLACAENMIN EASMKPDDVF TALSGETVEV MNTDAEGRLV DATA SEQUENCE LADAVFYANQ YQPSVIMDFA TLTGAAIVAL GDDKAAAFES NSKVILNDIL DATA SEQUENCE QISSEVDEMV FELPITATER ASIKHSDIAD LVNHTNGQGK ALFAASFVTH DATA SEQUENCE FSGQTPHIHF DIAGPATTNK ASYNGPKGPT GFMIPTIVQW LKQQ 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.576 174.600 -0.040 0.000 1.055 -2 S CA 0.000 58.179 58.200 -0.034 0.000 1.107 -2 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 -1 N N 2.219 120.895 118.700 -0.040 0.000 2.479 -1 N HA 0.717 5.457 4.740 -0.000 0.000 0.257 -1 N C 1.017 176.475 175.510 -0.087 0.000 1.232 -1 N CA 0.608 53.633 53.050 -0.041 0.000 0.920 -1 N CB 0.856 39.339 38.487 -0.006 0.000 1.105 -1 N HN 0.672 nan 8.380 nan 0.000 0.444 0 A N 1.789 124.544 122.820 -0.109 0.000 1.930 0 A HA 0.066 4.386 4.320 -0.000 0.000 0.215 0 A C 0.467 177.909 177.584 -0.237 0.000 1.176 0 A CA 1.052 52.975 52.037 -0.189 0.000 0.632 0 A CB -0.014 18.880 19.000 -0.176 0.000 0.819 0 A HN 0.532 nan 8.150 nan 0.000 0.445 1 M N -0.550 118.927 119.600 -0.206 0.000 2.528 1 M HA 0.341 4.821 4.480 -0.000 0.000 0.321 1 M C -1.283 174.893 176.300 -0.207 0.000 1.153 1 M CA -0.660 54.456 55.300 -0.307 0.000 0.951 1 M CB 1.269 33.542 32.600 -0.545 0.000 1.705 1 M HN 0.185 nan 8.290 nan 0.000 0.451 2 N N 2.013 120.558 118.700 -0.258 0.000 2.558 2 N HA 0.417 5.157 4.740 -0.000 0.000 0.242 2 N C -1.895 173.517 175.510 -0.163 0.000 0.979 2 N CA -0.147 52.837 53.050 -0.111 0.000 0.931 2 N CB 0.308 38.755 38.487 -0.067 0.000 1.122 2 N HN 0.353 nan 8.380 nan 0.000 0.508 3 F N 2.420 122.376 119.950 0.011 0.000 2.424 3 F HA 0.365 4.892 4.527 -0.000 0.000 0.356 3 F C 0.809 176.631 175.800 0.036 0.000 1.110 3 F CA -0.256 57.748 58.000 0.006 0.000 1.161 3 F CB 0.933 39.901 39.000 -0.054 0.000 1.115 3 F HN 0.085 nan 8.300 nan 0.000 0.507 4 K N 3.910 124.414 120.400 0.173 0.000 2.345 4 K HA 0.543 4.863 4.320 -0.000 0.000 0.255 4 K C -1.513 175.175 176.600 0.146 0.000 0.934 4 K CA -1.059 55.312 56.287 0.139 0.000 0.801 4 K CB 2.505 35.063 32.500 0.096 0.000 1.137 4 K HN 0.369 nan 8.250 nan 0.000 0.424 5 L N 4.021 125.319 121.223 0.126 0.000 2.272 5 L HA 0.327 4.667 4.340 -0.000 0.000 0.289 5 L C -0.360 176.572 176.870 0.104 0.000 1.032 5 L CA 0.156 55.065 54.840 0.114 0.000 0.810 5 L CB 0.565 42.677 42.059 0.088 0.000 1.205 5 L HN 0.617 nan 8.230 nan 0.000 0.422 6 N N 2.637 121.406 118.700 0.114 0.000 2.708 6 N HA -0.282 4.458 4.740 -0.000 0.000 0.251 6 N C -0.127 175.444 175.510 0.102 0.000 1.017 6 N CA 0.642 53.752 53.050 0.101 0.000 0.742 6 N CB -1.106 37.424 38.487 0.070 0.000 0.943 6 N HN 0.744 nan 8.380 nan 0.000 0.539 7 N N 0.432 119.207 118.700 0.125 0.000 2.371 7 N HA 0.003 4.742 4.740 -0.000 0.000 0.243 7 N C 0.101 175.684 175.510 0.121 0.000 1.287 7 N CA 0.348 53.466 53.050 0.113 0.000 0.911 7 N CB 0.604 39.158 38.487 0.111 0.000 1.142 7 N HN 0.189 nan 8.380 nan 0.000 0.451 8 T N 1.693 116.305 114.554 0.098 0.000 2.866 8 T HA -0.026 4.323 4.350 -0.000 0.000 0.293 8 T C 0.374 175.152 174.700 0.130 0.000 1.005 8 T CA -0.231 61.925 62.100 0.094 0.000 1.162 8 T CB -0.327 68.584 68.868 0.071 0.000 0.968 8 T HN 0.279 nan 8.240 nan 0.000 0.530 9 L N 5.671 126.973 121.223 0.132 0.000 2.410 9 L HA 0.424 4.764 4.340 -0.000 0.000 0.273 9 L C 0.290 177.271 176.870 0.185 0.000 1.144 9 L CA 0.703 55.656 54.840 0.188 0.000 0.863 9 L CB 1.036 43.161 42.059 0.111 0.000 1.140 9 L HN 0.647 nan 8.230 nan 0.000 0.463 10 S N 3.703 119.560 115.700 0.260 0.000 2.500 10 S HA 0.416 4.886 4.470 -0.000 0.000 0.301 10 S C 0.688 175.423 174.600 0.224 0.000 1.092 10 S CA -0.752 57.558 58.200 0.184 0.000 1.030 10 S CB 0.897 64.166 63.200 0.116 0.000 1.031 10 S HN 0.800 nan 8.310 nan 0.000 0.483 11 N N 2.458 121.249 118.700 0.151 0.000 2.409 11 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 11 N C 1.394 176.953 175.510 0.082 0.000 1.032 11 N CA 0.336 53.466 53.050 0.133 0.000 0.898 11 N CB 0.054 38.592 38.487 0.086 0.000 0.971 11 N HN 0.775 nan 8.380 nan 0.000 0.441 12 E N 1.104 121.341 120.200 0.061 0.000 2.267 12 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 12 E C 0.100 176.704 176.600 0.006 0.000 0.998 12 E CA 0.512 56.926 56.400 0.023 0.000 0.830 12 E CB 0.179 29.889 29.700 0.016 0.000 0.751 12 E HN 0.301 nan 8.360 nan 0.000 0.491 13 I N 2.676 123.261 120.570 0.025 0.000 2.325 13 I HA 0.055 4.225 4.170 -0.000 0.000 0.291 13 I C 0.099 176.272 176.117 0.095 0.000 1.019 13 I CA -0.433 60.848 61.300 -0.032 0.000 1.302 13 I CB 1.001 38.820 38.000 -0.301 0.000 1.401 13 I HN 0.038 nan 8.210 nan 0.000 0.485 14 N N 3.218 121.938 118.700 0.033 0.000 2.365 14 N HA 0.115 4.854 4.740 -0.000 0.000 0.257 14 N C -0.639 174.976 175.510 0.176 0.000 1.287 14 N CA -0.407 52.609 53.050 -0.057 0.000 0.882 14 N CB 0.692 39.041 38.487 -0.230 0.000 1.250 14 N HN 0.356 nan 8.380 nan 0.000 0.507 15 T N 0.847 115.554 114.554 0.255 0.000 2.841 15 T HA 0.580 4.930 4.350 -0.000 0.000 0.283 15 T C -1.110 173.737 174.700 0.245 0.000 1.000 15 T CA -0.563 61.671 62.100 0.223 0.000 0.977 15 T CB 2.139 71.074 68.868 0.111 0.000 0.979 15 T HN 0.160 nan 8.240 nan 0.000 0.446 16 L N 3.319 124.642 121.223 0.167 0.000 2.436 16 L HA 0.703 5.043 4.340 -0.000 0.000 0.268 16 L C -1.667 175.207 176.870 0.008 0.000 0.974 16 L CA -0.636 54.222 54.840 0.030 0.000 0.826 16 L CB 1.417 43.349 42.059 -0.213 0.000 1.291 16 L HN 0.676 nan 8.230 nan 0.000 0.406 17 I N 6.083 126.678 120.570 0.042 0.000 2.389 17 I HA 0.511 4.680 4.170 -0.000 0.000 0.288 17 I C -0.753 175.418 176.117 0.089 0.000 0.999 17 I CA -0.352 60.997 61.300 0.081 0.000 1.129 17 I CB 1.545 39.643 38.000 0.162 0.000 1.288 17 I HN 0.446 nan 8.210 nan 0.000 0.444 18 I N 4.585 125.150 120.570 -0.007 0.000 2.582 18 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 18 I C 0.386 176.327 176.117 -0.294 0.000 1.066 18 I CA -0.699 60.537 61.300 -0.107 0.000 1.053 18 I CB 2.222 40.093 38.000 -0.215 0.000 1.241 18 I HN 0.598 nan 8.210 nan 0.000 0.421 19 G N 6.330 114.686 108.800 -0.739 0.000 2.372 19 G HA2 0.588 4.548 3.960 -0.000 0.000 0.283 19 G HA3 0.588 4.548 3.960 -0.000 0.000 0.283 19 G C -0.548 174.010 174.900 -0.570 0.000 1.177 19 G CA -0.269 44.213 45.100 -1.030 0.000 0.842 19 G HN 0.340 nan 8.290 nan 0.000 0.503 20 I N 4.379 124.704 120.570 -0.409 0.000 2.382 20 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 20 I C -2.189 173.781 176.117 -0.244 0.000 1.002 20 I CA -2.809 58.317 61.300 -0.290 0.000 1.135 20 I CB 1.771 39.616 38.000 -0.259 0.000 1.288 20 I HN 0.303 nan 8.210 nan 0.000 0.448 21 P HA 0.283 nan 4.420 nan 0.000 0.281 21 P C 0.585 177.784 177.300 -0.169 0.000 1.281 21 P CA -0.383 62.620 63.100 -0.162 0.000 0.811 21 P CB 1.692 33.324 31.700 -0.112 0.000 1.154 22 E N -0.679 119.408 120.200 -0.187 0.000 2.110 22 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 22 E C 0.038 176.337 176.600 -0.502 0.000 0.988 22 E CA 1.045 57.247 56.400 -0.331 0.000 0.804 22 E CB 0.016 29.505 29.700 -0.352 0.000 0.745 22 E HN 0.455 nan 8.360 nan 0.000 0.458 23 H N -0.131 118.905 119.070 -0.056 0.000 2.708 23 H HA 0.154 4.709 4.556 -0.000 0.000 0.320 23 H C 0.600 175.901 175.328 -0.045 0.000 0.991 23 H CA -0.311 55.711 56.048 -0.043 0.000 1.243 23 H CB 1.639 31.384 29.762 -0.028 0.000 1.446 23 H HN 0.098 nan 8.280 nan 0.000 0.502 24 L N 2.294 123.540 121.223 0.038 0.000 2.201 24 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 24 L C 1.839 178.720 176.870 0.018 0.000 1.105 24 L CA 1.042 55.880 54.840 -0.003 0.000 0.775 24 L CB -0.111 41.930 42.059 -0.030 0.000 0.913 24 L HN 0.554 nan 8.230 nan 0.000 0.440 25 N N -1.368 117.358 118.700 0.042 0.000 2.512 25 N HA -0.185 4.555 4.740 -0.000 0.000 0.183 25 N C 1.561 177.092 175.510 0.035 0.000 1.073 25 N CA 0.656 53.724 53.050 0.029 0.000 0.911 25 N CB -0.317 38.181 38.487 0.019 0.000 0.964 25 N HN 0.277 nan 8.380 nan 0.000 0.447 26 Q N -0.064 119.772 119.800 0.061 0.000 2.369 26 Q HA 0.154 4.494 4.340 -0.000 0.000 0.206 26 Q C 0.312 176.349 176.000 0.061 0.000 0.963 26 Q CA 0.388 56.240 55.803 0.083 0.000 0.894 26 Q CB 0.229 29.045 28.738 0.130 0.000 0.965 26 Q HN 0.503 nan 8.270 nan 0.000 0.475 27 L N 1.245 122.487 121.223 0.030 0.000 2.360 27 L HA 0.192 4.532 4.340 -0.000 0.000 0.271 27 L C 0.128 177.003 176.870 0.007 0.000 1.057 27 L CA -0.746 54.101 54.840 0.012 0.000 0.803 27 L CB 0.907 42.958 42.059 -0.013 0.000 1.207 27 L HN -0.140 nan 8.230 nan 0.000 0.445 28 E N 1.765 121.969 120.200 0.006 0.000 2.366 28 E HA 0.061 4.411 4.350 -0.000 0.000 0.266 28 E C -0.540 176.065 176.600 0.008 0.000 1.015 28 E CA 0.054 56.458 56.400 0.007 0.000 0.906 28 E CB 0.249 29.954 29.700 0.008 0.000 0.979 28 E HN 0.200 nan 8.360 nan 0.000 0.443 29 R N 3.163 123.669 120.500 0.009 0.000 2.584 29 R HA -0.107 4.232 4.340 -0.000 0.000 0.315 29 R C -0.015 176.295 176.300 0.017 0.000 0.863 29 R CA 0.257 56.363 56.100 0.011 0.000 1.139 29 R CB -0.479 29.829 30.300 0.014 0.000 0.880 29 R HN 0.496 nan 8.270 nan 0.000 0.413 30 I N 2.593 123.171 120.570 0.012 0.000 2.618 30 I HA -0.051 4.118 4.170 -0.000 0.000 0.284 30 I C 0.627 176.771 176.117 0.044 0.000 1.146 30 I CA 0.624 61.935 61.300 0.018 0.000 1.425 30 I CB 0.603 38.598 38.000 -0.008 0.000 1.383 30 I HN 0.622 nan 8.210 nan 0.000 0.562 31 S N 6.512 122.245 115.700 0.055 0.000 2.547 31 S HA 0.643 5.113 4.470 -0.000 0.000 0.281 31 S C -0.927 173.739 174.600 0.109 0.000 1.118 31 S CA -0.806 57.436 58.200 0.070 0.000 0.947 31 S CB 1.901 65.121 63.200 0.033 0.000 1.053 31 S HN 0.410 nan 8.310 nan 0.000 0.482 32 F N 3.824 123.739 119.950 -0.057 0.000 2.495 32 F HA 0.566 5.093 4.527 -0.000 0.000 0.327 32 F C 0.934 176.656 175.800 -0.130 0.000 1.103 32 F CA -0.412 57.518 58.000 -0.117 0.000 0.949 32 F CB 0.908 39.837 39.000 -0.118 0.000 1.142 32 F HN 0.917 nan 8.300 nan 0.000 0.457 33 N N 2.795 120.952 118.700 -0.905 0.000 2.869 33 N HA -0.363 4.377 4.740 -0.000 0.000 0.185 33 N C 0.457 175.686 175.510 -0.469 0.000 0.446 33 N CA 2.388 55.043 53.050 -0.658 0.000 1.773 33 N CB -0.921 37.241 38.487 -0.542 0.000 1.411 33 N HN 0.925 nan 8.380 nan 0.000 0.389 34 H N -0.590 118.378 119.070 -0.170 0.000 3.540 34 H HA 0.466 5.022 4.556 -0.000 0.000 0.259 34 H C -0.378 174.921 175.328 -0.048 0.000 1.197 34 H CA -0.343 55.654 56.048 -0.084 0.000 1.136 34 H CB 0.729 30.450 29.762 -0.068 0.000 1.605 34 H HN 0.151 nan 8.280 nan 0.000 0.657 35 I N 2.325 122.917 120.570 0.035 0.000 2.587 35 I HA -0.074 4.096 4.170 -0.000 0.000 0.284 35 I C 0.502 176.657 176.117 0.065 0.000 1.134 35 I CA 0.241 61.568 61.300 0.045 0.000 1.410 35 I CB 0.273 38.293 38.000 0.035 0.000 1.392 35 I HN 0.232 nan 8.210 nan 0.000 0.545 36 D N 7.680 128.115 120.400 0.058 0.000 2.338 36 D HA 0.090 4.730 4.640 -0.000 0.000 0.255 36 D C 0.733 177.078 176.300 0.075 0.000 1.237 36 D CA -0.051 53.985 54.000 0.060 0.000 0.883 36 D CB 0.753 41.578 40.800 0.042 0.000 1.087 36 D HN 0.556 nan 8.370 nan 0.000 0.485 37 I N 0.703 121.336 120.570 0.106 0.000 3.941 37 I HA 0.085 4.255 4.170 -0.000 0.000 0.335 37 I C 1.316 177.506 176.117 0.122 0.000 1.402 37 I CA -0.515 60.881 61.300 0.160 0.000 1.112 37 I CB 0.294 38.472 38.000 0.297 0.000 1.043 37 I HN 0.039 nan 8.210 nan 0.000 0.395 38 T N 2.062 116.654 114.554 0.064 0.000 2.684 38 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 38 T C 1.851 176.567 174.700 0.027 0.000 1.036 38 T CA 2.268 64.385 62.100 0.029 0.000 1.148 38 T CB -0.263 68.615 68.868 0.016 0.000 0.863 38 T HN 0.663 nan 8.240 nan 0.000 0.436 39 E N 2.168 122.387 120.200 0.031 0.000 2.150 39 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 39 E C 2.270 178.890 176.600 0.032 0.000 0.985 39 E CA 1.607 58.018 56.400 0.018 0.000 0.814 39 E CB -0.542 29.163 29.700 0.009 0.000 0.752 39 E HN 0.628 nan 8.360 nan 0.000 0.466 40 S N 1.205 116.950 115.700 0.075 0.000 2.406 40 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 40 S C 2.283 176.972 174.600 0.149 0.000 1.020 40 S CA 0.623 58.894 58.200 0.120 0.000 0.965 40 S CB -0.641 62.656 63.200 0.161 0.000 0.798 40 S HN 0.231 nan 8.310 nan 0.000 0.488 41 L N 0.967 122.255 121.223 0.110 0.000 2.156 41 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 41 L C 2.945 179.795 176.870 -0.033 0.000 1.095 41 L CA 1.462 56.304 54.840 0.002 0.000 0.770 41 L CB -0.498 41.517 42.059 -0.074 0.000 0.914 41 L HN 0.322 nan 8.230 nan 0.000 0.439 42 E N 0.574 120.764 120.200 -0.018 0.000 2.110 42 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 42 E C 2.287 178.875 176.600 -0.019 0.000 0.988 42 E CA 1.278 57.659 56.400 -0.031 0.000 0.804 42 E CB 0.092 29.775 29.700 -0.028 0.000 0.745 42 E HN 0.229 nan 8.360 nan 0.000 0.458 43 R N -0.436 120.062 120.500 -0.003 0.000 2.090 43 R HA 0.008 4.348 4.340 -0.000 0.000 0.228 43 R C 2.443 178.758 176.300 0.024 0.000 1.110 43 R CA 1.160 57.268 56.100 0.014 0.000 0.973 43 R CB -0.257 30.052 30.300 0.015 0.000 0.869 43 R HN 0.255 nan 8.270 nan 0.000 0.440 44 L N 0.639 121.867 121.223 0.009 0.000 2.093 44 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 44 L C 2.575 179.387 176.870 -0.097 0.000 1.085 44 L CA 1.250 56.078 54.840 -0.019 0.000 0.755 44 L CB -0.328 41.728 42.059 -0.005 0.000 0.904 44 L HN 0.133 nan 8.230 nan 0.000 0.435 45 K N -0.450 119.877 120.400 -0.122 0.000 2.097 45 K HA -0.243 4.077 4.320 -0.000 0.000 0.205 45 K C 2.191 178.649 176.600 -0.237 0.000 1.050 45 K CA 1.374 57.546 56.287 -0.193 0.000 0.938 45 K CB -0.047 32.353 32.500 -0.167 0.000 0.718 45 K HN 0.253 nan 8.250 nan 0.000 0.442 46 H N 0.337 119.258 119.070 -0.248 0.000 2.423 46 H HA 0.017 4.573 4.556 -0.000 0.000 0.297 46 H C 1.376 176.479 175.328 -0.376 0.000 1.075 46 H CA 1.614 57.487 56.048 -0.292 0.000 1.342 46 H CB 0.326 29.993 29.762 -0.159 0.000 1.395 46 H HN 0.268 nan 8.280 nan 0.000 0.530 47 Q N -0.695 118.985 119.800 -0.200 0.000 2.444 47 Q HA 0.022 4.362 4.340 -0.000 0.000 0.206 47 Q C -0.318 175.624 176.000 -0.096 0.000 0.948 47 Q CA 0.522 56.244 55.803 -0.136 0.000 0.946 47 Q CB 0.292 29.025 28.738 -0.009 0.000 1.027 47 Q HN 0.710 nan 8.270 nan 0.000 0.513 48 H N -2.663 116.350 119.070 -0.095 0.000 2.958 48 H HA -0.208 4.348 4.556 -0.000 0.000 0.274 48 H C 0.766 176.056 175.328 -0.063 0.000 1.184 48 H CA 0.781 56.772 56.048 -0.095 0.000 1.143 48 H CB -1.842 27.882 29.762 -0.063 0.000 1.297 48 H HN 0.300 nan 8.280 nan 0.000 0.356 49 I N 0.064 120.631 120.570 -0.006 0.000 2.406 49 I HA -0.039 4.131 4.170 -0.000 0.000 0.249 49 I C 1.439 177.516 176.117 -0.067 0.000 1.122 49 I CA 1.249 62.558 61.300 0.015 0.000 1.431 49 I CB 0.131 38.143 38.000 0.020 0.000 1.087 49 I HN 0.289 nan 8.210 nan 0.000 0.424 50 I N -2.244 118.155 120.570 -0.286 0.000 2.957 50 I HA 0.880 5.049 4.170 -0.000 0.000 0.310 50 I C -0.101 175.419 176.117 -0.995 0.000 1.063 50 I CA -0.745 60.128 61.300 -0.712 0.000 1.033 50 I CB 1.941 39.689 38.000 -0.419 0.000 1.230 50 I HN -0.114 nan 8.210 nan 0.000 0.447 51 G N 0.695 108.563 108.800 -1.552 0.000 2.721 51 G HA2 0.467 4.427 3.960 -0.000 0.000 0.296 51 G HA3 0.467 4.427 3.960 -0.000 0.000 0.296 51 G C -0.340 174.337 174.900 -0.371 0.000 1.383 51 G CA -0.015 44.603 45.100 -0.803 0.000 0.788 51 G HN 0.870 nan 8.290 nan 0.000 0.500 52 S N -1.350 114.259 115.700 -0.151 0.000 2.578 52 S HA 0.243 4.713 4.470 -0.000 0.000 0.228 52 S C 0.719 175.297 174.600 -0.037 0.000 1.022 52 S CA 0.004 58.139 58.200 -0.109 0.000 0.967 52 S CB 0.059 63.167 63.200 -0.154 0.000 0.914 52 S HN 0.533 nan 8.310 nan 0.000 0.515 53 K N 2.658 123.083 120.400 0.041 0.000 2.491 53 K HA 0.089 4.409 4.320 -0.000 0.000 0.279 53 K C -0.478 176.129 176.600 0.012 0.000 1.026 53 K CA -0.079 56.227 56.287 0.033 0.000 1.070 53 K CB 0.276 32.816 32.500 0.067 0.000 0.887 53 K HN 0.152 nan 8.250 nan 0.000 0.481 54 V N 4.653 124.554 119.914 -0.022 0.000 2.506 54 V HA -0.033 4.087 4.120 -0.000 0.000 0.296 54 V C 1.484 177.569 176.094 -0.015 0.000 1.004 54 V CA 1.447 63.718 62.300 -0.048 0.000 1.150 54 V CB -0.031 31.752 31.823 -0.067 0.000 0.911 54 V HN 1.170 nan 8.190 nan 0.000 0.476 55 G N 3.629 112.414 108.800 -0.025 0.000 2.162 55 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 55 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 55 G C 0.298 175.276 174.900 0.129 0.000 0.976 55 G CA 0.474 45.621 45.100 0.078 0.000 0.655 55 G HN 0.742 nan 8.290 nan 0.000 0.533 56 K N 0.673 121.075 120.400 0.004 0.000 2.234 56 K HA 0.534 4.854 4.320 -0.000 0.000 0.282 56 K C 0.425 176.895 176.600 -0.217 0.000 1.039 56 K CA -0.872 55.330 56.287 -0.142 0.000 0.928 56 K CB 0.256 32.651 32.500 -0.176 0.000 1.039 56 K HN 0.046 nan 8.250 nan 0.000 0.470 57 I N 5.427 125.778 120.570 -0.365 0.000 2.342 57 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 57 I C -0.589 175.208 176.117 -0.533 0.000 1.010 57 I CA -0.413 60.649 61.300 -0.395 0.000 1.308 57 I CB 0.295 37.972 38.000 -0.540 0.000 1.400 57 I HN 0.554 nan 8.210 nan 0.000 0.488 58 Y N 3.511 123.673 120.300 -0.231 0.000 2.409 58 Y HA 0.525 5.075 4.550 -0.000 0.000 0.343 58 Y C 0.685 176.483 175.900 -0.170 0.000 0.973 58 Y CA -0.796 57.201 58.100 -0.171 0.000 1.064 58 Y CB 2.132 40.518 38.460 -0.123 0.000 1.207 58 Y HN 0.569 nan 8.280 nan 0.000 0.452 59 T N -1.150 113.423 114.554 0.032 0.000 2.893 59 T HA 0.798 5.148 4.350 -0.000 0.000 0.291 59 T C -0.608 174.137 174.700 0.075 0.000 1.028 59 T CA -0.779 61.346 62.100 0.041 0.000 0.995 59 T CB 2.104 71.012 68.868 0.067 0.000 1.051 59 T HN 0.666 nan 8.240 nan 0.000 0.470 60 T N 0.080 114.681 114.554 0.080 0.000 2.840 60 T HA 0.641 4.991 4.350 -0.000 0.000 0.317 60 T C -1.019 173.767 174.700 0.144 0.000 1.401 60 T CA -0.265 61.896 62.100 0.103 0.000 1.028 60 T CB 1.205 70.131 68.868 0.096 0.000 1.317 60 T HN 1.233 nan 8.240 nan 0.000 0.495 61 A N 2.630 125.540 122.820 0.149 0.000 2.450 61 A HA 0.630 4.950 4.320 -0.000 0.000 0.255 61 A C -0.864 176.881 177.584 0.269 0.000 1.096 61 A CA -0.045 52.098 52.037 0.177 0.000 0.778 61 A CB -0.412 18.660 19.000 0.120 0.000 1.031 61 A HN 0.726 nan 8.150 nan 0.000 0.494 62 F N 2.129 122.139 119.950 0.100 0.000 2.579 62 F HA 0.374 4.901 4.527 -0.000 0.000 0.325 62 F C -1.130 174.761 175.800 0.152 0.000 1.162 62 F CA -1.150 56.908 58.000 0.097 0.000 0.946 62 F CB 1.790 40.830 39.000 0.066 0.000 1.211 62 F HN 0.524 nan 8.300 nan 0.000 0.447 63 D N 4.721 124.926 120.400 -0.324 0.000 2.313 63 D HA 0.344 4.984 4.640 -0.000 0.000 0.239 63 D C -0.932 175.125 176.300 -0.404 0.000 1.142 63 D CA 0.377 54.247 54.000 -0.217 0.000 0.847 63 D CB 1.992 42.712 40.800 -0.132 0.000 1.082 63 D HN 0.309 nan 8.370 nan 0.000 0.480 64 V N 4.562 124.418 119.914 -0.096 0.000 2.443 64 V HA 0.252 4.372 4.120 -0.000 0.000 0.293 64 V C 0.083 176.234 176.094 0.095 0.000 1.021 64 V CA -0.065 62.214 62.300 -0.034 0.000 0.848 64 V CB 0.483 32.349 31.823 0.072 0.000 0.998 64 V HN 0.766 nan 8.190 nan 0.000 0.424 65 Q N 3.352 123.172 119.800 0.034 0.000 1.555 65 Q HA -0.296 4.044 4.340 -0.000 0.000 0.344 65 Q C 0.359 176.389 176.000 0.051 0.000 0.887 65 Q CA 2.302 58.132 55.803 0.045 0.000 0.829 65 Q CB -0.943 27.834 28.738 0.064 0.000 3.625 65 Q HN 0.921 nan 8.270 nan 0.000 0.622 66 D N 0.188 120.631 120.400 0.071 0.000 2.277 66 D HA 0.051 4.691 4.640 -0.000 0.000 0.209 66 D C 0.418 176.756 176.300 0.063 0.000 0.970 66 D CA 0.704 54.736 54.000 0.053 0.000 0.874 66 D CB 0.175 41.001 40.800 0.043 0.000 0.982 66 D HN 0.185 nan 8.370 nan 0.000 0.504 67 Q N 0.713 120.578 119.800 0.109 0.000 2.261 67 Q HA 0.268 4.608 4.340 -0.000 0.000 0.252 67 Q C -0.799 175.259 176.000 0.097 0.000 0.915 67 Q CA -0.224 55.614 55.803 0.058 0.000 0.915 67 Q CB 0.935 29.672 28.738 -0.002 0.000 1.204 67 Q HN -0.020 nan 8.270 nan 0.000 0.421 68 T N 3.950 118.508 114.554 0.006 0.000 2.780 68 T HA 0.284 4.634 4.350 -0.000 0.000 0.294 68 T C -1.065 173.639 174.700 0.006 0.000 0.949 68 T CA 0.000 62.138 62.100 0.062 0.000 1.074 68 T CB 0.096 68.987 68.868 0.038 0.000 0.910 68 T HN 0.339 nan 8.240 nan 0.000 0.501 69 Y N 1.324 121.706 120.300 0.137 0.000 2.457 69 Y HA 0.455 5.005 4.550 -0.000 0.000 0.333 69 Y C 0.805 176.798 175.900 0.155 0.000 1.119 69 Y CA -1.239 56.958 58.100 0.162 0.000 1.143 69 Y CB 1.257 39.839 38.460 0.204 0.000 1.230 69 Y HN 0.424 nan 8.280 nan 0.000 0.469 70 R N 3.191 123.851 120.500 0.267 0.000 2.220 70 R HA 0.323 4.663 4.340 -0.000 0.000 0.340 70 R C -1.458 174.953 176.300 0.186 0.000 1.076 70 R CA -0.634 55.584 56.100 0.196 0.000 0.920 70 R CB 0.007 30.393 30.300 0.144 0.000 1.062 70 R HN 0.607 nan 8.270 nan 0.000 0.469 71 L N 6.737 128.044 121.223 0.140 0.000 2.276 71 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 71 L C -0.859 176.015 176.870 0.007 0.000 1.061 71 L CA -0.082 54.763 54.840 0.009 0.000 0.807 71 L CB 1.153 43.122 42.059 -0.150 0.000 1.177 71 L HN 0.586 nan 8.230 nan 0.000 0.429 72 I N 4.657 125.225 120.570 -0.003 0.000 2.362 72 I HA 0.324 4.493 4.170 -0.000 0.000 0.289 72 I C -0.157 175.932 176.117 -0.047 0.000 0.994 72 I CA -0.243 61.059 61.300 0.002 0.000 1.158 72 I CB 1.662 39.714 38.000 0.088 0.000 1.315 72 I HN 0.523 nan 8.210 nan 0.000 0.451 73 T N 5.859 120.376 114.554 -0.062 0.000 2.797 73 T HA 0.448 4.798 4.350 -0.000 0.000 0.279 73 T C -0.846 173.833 174.700 -0.034 0.000 0.991 73 T CA -0.400 61.659 62.100 -0.067 0.000 0.979 73 T CB 1.957 70.783 68.868 -0.070 0.000 0.943 73 T HN 0.281 nan 8.240 nan 0.000 0.444 74 V N 3.664 123.529 119.914 -0.081 0.000 2.487 74 V HA 0.806 4.926 4.120 -0.000 0.000 0.298 74 V C 0.445 176.461 176.094 -0.130 0.000 1.028 74 V CA -0.416 61.837 62.300 -0.078 0.000 0.860 74 V CB 1.382 33.158 31.823 -0.078 0.000 0.991 74 V HN 0.974 nan 8.190 nan 0.000 0.427 75 G N 5.137 113.909 108.800 -0.045 0.000 2.441 75 G HA2 0.409 4.369 3.960 -0.000 0.000 0.243 75 G HA3 0.409 4.369 3.960 -0.000 0.000 0.243 75 G C 0.289 175.101 174.900 -0.147 0.000 1.281 75 G CA -0.317 44.739 45.100 -0.074 0.000 0.854 75 G HN 0.864 nan 8.290 nan 0.000 0.560 76 L N 1.796 122.911 121.223 -0.179 0.000 2.701 76 L HA 0.330 4.670 4.340 -0.000 0.000 0.238 76 L C 1.692 178.484 176.870 -0.131 0.000 1.106 76 L CA 0.382 55.110 54.840 -0.186 0.000 0.898 76 L CB -0.516 41.401 42.059 -0.235 0.000 1.188 76 L HN 0.964 nan 8.230 nan 0.000 0.508 77 G N 1.347 110.078 108.800 -0.115 0.000 2.562 77 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.250 77 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.250 77 G C -0.174 174.668 174.900 -0.097 0.000 1.269 77 G CA -0.271 44.772 45.100 -0.096 0.000 0.919 77 G HN 0.248 nan 8.290 nan 0.000 0.574 78 N N 0.857 119.511 118.700 -0.078 0.000 2.442 78 N HA 0.259 4.999 4.740 -0.000 0.000 0.265 78 N C 1.808 177.274 175.510 -0.072 0.000 1.138 78 N CA 0.004 53.016 53.050 -0.063 0.000 0.956 78 N CB 0.805 39.262 38.487 -0.049 0.000 1.067 78 N HN 0.473 nan 8.380 nan 0.000 0.474 79 L N 3.657 124.844 121.223 -0.059 0.000 2.275 79 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 79 L C 2.064 178.850 176.870 -0.140 0.000 1.119 79 L CA 0.962 55.779 54.840 -0.038 0.000 0.790 79 L CB -0.054 42.041 42.059 0.061 0.000 0.919 79 L HN 0.517 nan 8.230 nan 0.000 0.443 80 K N -0.297 119.901 120.400 -0.336 0.000 2.057 80 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 80 K C 1.257 177.713 176.600 -0.240 0.000 1.050 80 K CA 1.714 57.667 56.287 -0.557 0.000 0.935 80 K CB -0.203 31.982 32.500 -0.526 0.000 0.715 80 K HN 0.339 nan 8.250 nan 0.000 0.439 81 T N -0.777 113.692 114.554 -0.141 0.000 3.256 81 T HA 0.241 4.591 4.350 -0.000 0.000 0.249 81 T C -0.181 174.493 174.700 -0.044 0.000 0.975 81 T CA -0.646 61.410 62.100 -0.073 0.000 1.011 81 T CB -0.046 68.787 68.868 -0.058 0.000 1.127 81 T HN -0.026 nan 8.240 nan 0.000 0.543 82 R N 2.275 122.755 120.500 -0.032 0.000 2.215 82 R HA 0.442 4.781 4.340 -0.000 0.000 0.337 82 R C 0.280 176.590 176.300 0.015 0.000 1.010 82 R CA -0.249 55.841 56.100 -0.018 0.000 0.871 82 R CB 0.578 30.868 30.300 -0.017 0.000 1.134 82 R HN 0.573 nan 8.270 nan 0.000 0.477 83 S N 2.964 118.673 115.700 0.014 0.000 2.655 83 S HA -0.006 4.464 4.470 -0.000 0.000 0.265 83 S C 0.921 175.570 174.600 0.082 0.000 1.240 83 S CA -0.624 57.610 58.200 0.057 0.000 0.986 83 S CB 0.549 63.779 63.200 0.051 0.000 0.985 83 S HN 0.696 nan 8.310 nan 0.000 0.562 84 Y N 0.518 120.824 120.300 0.010 0.000 2.293 84 Y HA -0.109 4.441 4.550 -0.000 0.000 0.291 84 Y C 2.791 178.692 175.900 0.002 0.000 1.137 84 Y CA 2.098 60.210 58.100 0.020 0.000 1.202 84 Y CB -0.432 38.044 38.460 0.027 0.000 0.990 84 Y HN 0.879 nan 8.280 nan 0.000 0.537 85 Q N 0.047 119.843 119.800 -0.007 0.000 2.096 85 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 85 Q C 1.592 177.420 176.000 -0.288 0.000 0.982 85 Q CA 2.017 57.746 55.803 -0.124 0.000 0.850 85 Q CB -0.153 28.584 28.738 -0.002 0.000 0.901 85 Q HN 0.479 nan 8.270 nan 0.000 0.422 86 D N 0.158 120.442 120.400 -0.193 0.000 2.123 86 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 86 D C 1.940 178.084 176.300 -0.260 0.000 0.992 86 D CA 1.449 55.318 54.000 -0.217 0.000 0.833 86 D CB -0.231 40.495 40.800 -0.124 0.000 0.954 86 D HN 0.387 nan 8.370 nan 0.000 0.455 87 M N -0.014 119.457 119.600 -0.215 0.000 2.117 87 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 87 M C 2.330 178.536 176.300 -0.156 0.000 1.065 87 M CA 1.037 56.238 55.300 -0.165 0.000 1.114 87 M CB -0.197 32.367 32.600 -0.059 0.000 1.361 87 M HN -0.005 nan 8.290 nan 0.000 0.408 88 L N -0.281 120.753 121.223 -0.315 0.000 2.093 88 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 88 L C 2.569 179.236 176.870 -0.339 0.000 1.085 88 L CA 1.222 55.918 54.840 -0.239 0.000 0.755 88 L CB -0.635 41.270 42.059 -0.257 0.000 0.904 88 L HN 0.312 nan 8.230 nan 0.000 0.435 89 K N 0.713 120.695 120.400 -0.696 0.000 2.097 89 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 89 K C 2.087 178.408 176.600 -0.465 0.000 1.050 89 K CA 1.137 56.914 56.287 -0.850 0.000 0.938 89 K CB 0.013 32.005 32.500 -0.845 0.000 0.718 89 K HN 0.181 nan 8.250 nan 0.000 0.442 90 I N -0.483 119.887 120.570 -0.333 0.000 2.133 90 I HA -0.273 3.896 4.170 -0.000 0.000 0.238 90 I C 1.957 177.918 176.117 -0.261 0.000 1.074 90 I CA 1.532 62.654 61.300 -0.297 0.000 1.342 90 I CB -0.309 37.452 38.000 -0.400 0.000 1.053 90 I HN 0.309 nan 8.210 nan 0.000 0.404 91 W N 0.666 121.890 121.300 -0.128 0.000 2.388 91 W HA -0.072 4.588 4.660 -0.000 0.000 0.294 91 W C 2.589 179.056 176.519 -0.086 0.000 1.212 91 W CA 0.850 58.072 57.345 -0.205 0.000 1.271 91 W CB -0.858 28.584 29.460 -0.031 0.000 1.126 91 W HN 0.128 nan 8.180 nan 0.000 0.535 92 G N -0.184 108.748 108.800 0.219 0.000 2.480 92 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.216 92 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.216 92 G C 0.949 176.007 174.900 0.263 0.000 1.200 92 G CA 1.439 46.689 45.100 0.250 0.000 0.782 92 G HN 0.393 nan 8.290 nan 0.000 0.554 93 H N -0.711 118.449 119.070 0.150 0.000 2.421 93 H HA -0.006 4.550 4.556 -0.000 0.000 0.298 93 H C 2.432 177.824 175.328 0.106 0.000 1.087 93 H CA 0.610 56.729 56.048 0.118 0.000 1.330 93 H CB 0.092 29.884 29.762 0.050 0.000 1.388 93 H HN 0.284 nan 8.280 nan 0.000 0.526 94 L N 0.195 121.501 121.223 0.137 0.000 1.976 94 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 94 L C 1.625 178.578 176.870 0.137 0.000 1.071 94 L CA 1.606 56.468 54.840 0.036 0.000 0.746 94 L CB -0.621 41.324 42.059 -0.190 0.000 0.890 94 L HN 0.075 nan 8.230 nan 0.000 0.432 95 F N -0.057 120.051 119.950 0.264 0.000 2.216 95 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 95 F C 2.621 178.528 175.800 0.179 0.000 1.085 95 F CA 1.217 59.338 58.000 0.201 0.000 1.326 95 F CB -0.981 38.125 39.000 0.177 0.000 1.027 95 F HN 0.260 nan 8.300 nan 0.000 0.497 96 Q N -1.418 118.606 119.800 0.374 0.000 2.079 96 Q HA -0.237 4.103 4.340 -0.000 0.000 0.200 96 Q C 2.080 178.231 176.000 0.252 0.000 0.974 96 Q CA 1.672 57.646 55.803 0.284 0.000 0.840 96 Q CB -0.489 28.420 28.738 0.284 0.000 0.898 96 Q HN 0.512 nan 8.270 nan 0.000 0.430 97 Y N 0.992 121.384 120.300 0.152 0.000 2.200 97 Y HA -0.231 4.318 4.550 -0.000 0.000 0.290 97 Y C 1.897 177.876 175.900 0.132 0.000 1.137 97 Y CA 1.083 59.249 58.100 0.110 0.000 1.163 97 Y CB -0.014 38.490 38.460 0.073 0.000 0.988 97 Y HN 0.043 nan 8.280 nan 0.000 0.518 98 I N 0.510 121.217 120.570 0.228 0.000 2.208 98 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 98 I C 2.203 178.400 176.117 0.133 0.000 1.097 98 I CA 1.544 62.946 61.300 0.169 0.000 1.363 98 I CB -1.201 36.960 38.000 0.269 0.000 1.051 98 I HN 0.239 nan 8.210 nan 0.000 0.413 99 K N 0.842 121.343 120.400 0.168 0.000 2.062 99 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 99 K C 2.229 178.967 176.600 0.230 0.000 1.051 99 K CA 1.571 57.989 56.287 0.219 0.000 0.941 99 K CB -0.484 32.083 32.500 0.112 0.000 0.719 99 K HN 0.459 nan 8.250 nan 0.000 0.440 100 S N 1.012 116.767 115.700 0.091 0.000 2.447 100 S HA -0.048 4.422 4.470 -0.000 0.000 0.233 100 S C 1.416 175.988 174.600 -0.047 0.000 1.006 100 S CA 0.779 58.999 58.200 0.034 0.000 0.957 100 S CB 0.017 63.219 63.200 0.002 0.000 0.773 100 S HN 0.157 nan 8.310 nan 0.000 0.507 101 E N 0.398 120.510 120.200 -0.146 0.000 2.479 101 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 101 E C -0.146 176.433 176.600 -0.035 0.000 1.049 101 E CA 0.076 56.365 56.400 -0.185 0.000 0.870 101 E CB -0.438 29.009 29.700 -0.423 0.000 0.944 101 E HN 0.803 nan 8.360 nan 0.000 0.492 102 H N -0.147 118.856 119.070 -0.111 0.000 2.713 102 H HA -0.179 4.376 4.556 -0.000 0.000 0.311 102 H C -0.548 174.639 175.328 -0.235 0.000 1.175 102 H CA 0.186 56.034 56.048 -0.334 0.000 1.143 102 H CB -1.896 27.589 29.762 -0.462 0.000 1.434 102 H HN 0.120 nan 8.280 nan 0.000 0.418 103 I N 0.855 121.403 120.570 -0.037 0.000 2.416 103 I HA 0.025 4.195 4.170 -0.000 0.000 0.288 103 I C 1.395 177.529 176.117 0.028 0.000 1.051 103 I CA 0.445 61.743 61.300 -0.003 0.000 1.375 103 I CB 1.120 39.149 38.000 0.049 0.000 1.407 103 I HN 0.450 nan 8.210 nan 0.000 0.516 104 E N 3.356 123.542 120.200 -0.024 0.000 2.372 104 E HA 0.108 4.458 4.350 -0.000 0.000 0.201 104 E C -0.510 176.083 176.600 -0.012 0.000 0.938 104 E CA 0.334 56.735 56.400 0.001 0.000 0.944 104 E CB 0.658 30.333 29.700 -0.042 0.000 0.937 104 E HN 0.573 nan 8.360 nan 0.000 0.495 105 D N 0.440 120.823 120.400 -0.029 0.000 2.788 105 D HA 0.225 4.864 4.640 -0.000 0.000 0.247 105 D C -0.994 175.257 176.300 -0.082 0.000 1.236 105 D CA 0.029 53.989 54.000 -0.066 0.000 0.898 105 D CB 2.371 43.125 40.800 -0.076 0.000 1.401 105 D HN -0.105 nan 8.370 nan 0.000 0.549 106 T N 1.046 115.535 114.554 -0.109 0.000 2.889 106 T HA 0.412 4.761 4.350 -0.000 0.000 0.315 106 T C -1.522 173.112 174.700 -0.110 0.000 1.291 106 T CA -0.475 61.572 62.100 -0.087 0.000 1.028 106 T CB 0.784 69.673 68.868 0.034 0.000 1.235 106 T HN 0.096 nan 8.240 nan 0.000 0.491 107 Y N 2.142 122.504 120.300 0.103 0.000 2.301 107 Y HA 0.697 5.247 4.550 -0.000 0.000 0.325 107 Y C 0.092 176.039 175.900 0.079 0.000 1.203 107 Y CA -1.075 57.084 58.100 0.099 0.000 1.255 107 Y CB 1.135 39.651 38.460 0.093 0.000 1.232 107 Y HN 0.426 nan 8.280 nan 0.000 0.501 108 L N 4.002 125.399 121.223 0.290 0.000 2.406 108 L HA 0.460 4.800 4.340 -0.000 0.000 0.270 108 L C -1.667 175.350 176.870 0.245 0.000 0.982 108 L CA -0.908 54.075 54.840 0.238 0.000 0.843 108 L CB 1.047 43.235 42.059 0.214 0.000 1.225 108 L HN 0.457 nan 8.230 nan 0.000 0.412 109 L N 5.926 127.292 121.223 0.239 0.000 2.404 109 L HA 0.206 4.546 4.340 -0.000 0.000 0.277 109 L C 1.336 178.404 176.870 0.330 0.000 1.184 109 L CA 0.277 55.249 54.840 0.220 0.000 1.013 109 L CB 0.632 42.765 42.059 0.124 0.000 1.318 109 L HN 0.805 nan 8.230 nan 0.000 0.435 110 M N 0.642 120.418 119.600 0.293 0.000 2.279 110 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 110 M C 1.356 177.854 176.300 0.330 0.000 1.062 110 M CA 1.446 56.948 55.300 0.337 0.000 1.099 110 M CB -0.256 32.477 32.600 0.221 0.000 1.394 110 M HN 0.472 nan 8.290 nan 0.000 0.426 111 D N -0.692 119.837 120.400 0.214 0.000 2.263 111 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 111 D C 2.015 178.384 176.300 0.115 0.000 0.971 111 D CA 1.538 55.624 54.000 0.143 0.000 0.867 111 D CB -0.327 40.528 40.800 0.091 0.000 0.929 111 D HN 0.573 nan 8.370 nan 0.000 0.492 112 S N -0.947 114.820 115.700 0.112 0.000 2.522 112 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 112 S C 1.576 176.057 174.600 -0.198 0.000 0.986 112 S CA 0.107 58.266 58.200 -0.068 0.000 0.929 112 S CB -0.392 62.704 63.200 -0.173 0.000 0.769 112 S HN 0.116 nan 8.310 nan 0.000 0.529 113 F N 1.255 121.203 119.950 -0.002 0.000 2.656 113 F HA 0.503 5.030 4.527 -0.000 0.000 0.291 113 F C 0.669 176.486 175.800 0.029 0.000 1.122 113 F CA -0.474 57.510 58.000 -0.026 0.000 1.427 113 F CB 0.122 39.134 39.000 0.019 0.000 1.125 113 F HN 0.103 nan 8.300 nan 0.000 0.583 114 I N 0.614 121.312 120.570 0.212 0.000 2.331 114 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 114 I C 0.342 176.507 176.117 0.080 0.000 0.998 114 I CA -0.417 60.968 61.300 0.143 0.000 1.267 114 I CB 0.988 39.064 38.000 0.127 0.000 1.386 114 I HN -0.057 nan 8.210 nan 0.000 0.476 115 S N 4.560 120.304 115.700 0.073 0.000 2.726 115 S HA 0.448 4.918 4.470 -0.000 0.000 0.308 115 S C 0.454 175.057 174.600 0.006 0.000 1.115 115 S CA -0.922 57.314 58.200 0.060 0.000 0.965 115 S CB 1.713 64.992 63.200 0.133 0.000 1.145 115 S HN 0.742 nan 8.310 nan 0.000 0.532 116 K N -0.629 119.712 120.400 -0.098 0.000 2.487 116 K HA 0.129 4.449 4.320 -0.000 0.000 0.192 116 K C 0.159 176.558 176.600 -0.335 0.000 1.027 116 K CA 0.528 56.670 56.287 -0.241 0.000 1.054 116 K CB -0.425 31.869 32.500 -0.344 0.000 0.824 116 K HN 0.641 nan 8.250 nan 0.000 0.510 117 Y N 1.267 121.572 120.300 0.008 0.000 2.481 117 Y HA 0.209 4.758 4.550 -0.000 0.000 0.258 117 Y C 0.101 176.009 175.900 0.014 0.000 1.103 117 Y CA -0.439 57.666 58.100 0.009 0.000 1.287 117 Y CB 0.543 39.008 38.460 0.009 0.000 1.108 117 Y HN 0.062 nan 8.280 nan 0.000 0.529 118 D N 0.049 120.533 120.400 0.140 0.000 2.269 118 D HA 0.159 4.799 4.640 -0.000 0.000 0.244 118 D C -0.772 175.556 176.300 0.047 0.000 0.992 118 D CA -0.601 53.458 54.000 0.098 0.000 0.894 118 D CB 1.759 42.624 40.800 0.108 0.000 1.248 118 D HN 0.040 nan 8.370 nan 0.000 0.468 119 Q N 0.989 120.805 119.800 0.028 0.000 2.288 119 Q HA 0.126 4.465 4.340 -0.000 0.000 0.254 119 Q C 1.030 177.004 176.000 -0.043 0.000 0.932 119 Q CA -0.511 55.279 55.803 -0.022 0.000 0.902 119 Q CB 1.363 30.075 28.738 -0.044 0.000 1.203 119 Q HN 0.403 nan 8.270 nan 0.000 0.415 120 L N 3.452 124.626 121.223 -0.081 0.000 2.051 120 L HA -0.285 4.055 4.340 -0.000 0.000 0.214 120 L C 1.960 178.697 176.870 -0.222 0.000 1.076 120 L CA 2.753 57.530 54.840 -0.105 0.000 0.758 120 L CB -0.601 41.389 42.059 -0.115 0.000 0.890 120 L HN 0.875 nan 8.230 nan 0.000 0.433 121 S N -1.270 114.177 115.700 -0.423 0.000 2.370 121 S HA -0.215 4.255 4.470 -0.000 0.000 0.226 121 S C 1.714 176.169 174.600 -0.241 0.000 1.033 121 S CA 1.231 59.023 58.200 -0.679 0.000 1.011 121 S CB -0.980 61.725 63.200 -0.825 0.000 0.852 121 S HN 0.542 nan 8.310 nan 0.000 0.457 122 D N 1.482 121.830 120.400 -0.086 0.000 2.144 122 D HA -0.024 4.616 4.640 -0.000 0.000 0.199 122 D C 2.097 178.497 176.300 0.167 0.000 0.984 122 D CA 0.931 54.983 54.000 0.087 0.000 0.834 122 D CB -0.561 40.315 40.800 0.126 0.000 0.955 122 D HN 0.363 nan 8.370 nan 0.000 0.465 123 V N 0.768 120.760 119.914 0.130 0.000 2.307 123 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 123 V C 2.538 178.719 176.094 0.146 0.000 1.045 123 V CA 1.096 63.547 62.300 0.250 0.000 1.024 123 V CB -0.424 31.559 31.823 0.267 0.000 0.651 123 V HN 0.194 nan 8.190 nan 0.000 0.449 124 L N -1.261 119.959 121.223 -0.004 0.000 2.156 124 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 124 L C 2.428 179.213 176.870 -0.142 0.000 1.095 124 L CA 1.203 55.967 54.840 -0.127 0.000 0.770 124 L CB -0.493 41.521 42.059 -0.074 0.000 0.914 124 L HN 0.348 nan 8.230 nan 0.000 0.439 125 M N 0.387 119.974 119.600 -0.021 0.000 2.067 125 M HA -0.141 4.339 4.480 -0.000 0.000 0.260 125 M C 2.381 178.683 176.300 0.004 0.000 1.069 125 M CA 2.157 57.476 55.300 0.032 0.000 1.117 125 M CB -0.392 32.279 32.600 0.118 0.000 1.334 125 M HN 0.179 nan 8.290 nan 0.000 0.407 126 A N -0.989 121.864 122.820 0.055 0.000 1.908 126 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 126 A C 2.474 179.934 177.584 -0.206 0.000 1.181 126 A CA 1.890 53.940 52.037 0.022 0.000 0.627 126 A CB -1.777 17.293 19.000 0.116 0.000 0.818 126 A HN 0.752 nan 8.150 nan 0.000 0.445 127 C N -0.647 118.232 119.300 -0.702 0.000 2.413 127 C HA -0.027 4.433 4.460 -0.000 0.000 0.276 127 C C 2.955 177.676 174.990 -0.449 0.000 1.236 127 C CA 1.347 59.654 59.018 -1.185 0.000 1.735 127 C CB -1.574 25.233 27.740 -1.554 0.000 2.031 127 C HN 0.619 nan 8.230 nan 0.000 0.474 128 G N 0.197 108.762 108.800 -0.391 0.000 2.421 128 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.216 128 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.216 128 G C 1.522 176.331 174.900 -0.152 0.000 1.171 128 G CA 1.166 46.081 45.100 -0.307 0.000 0.775 128 G HN 0.594 nan 8.290 nan 0.000 0.543 129 I N 0.305 120.829 120.570 -0.077 0.000 2.142 129 I HA -0.180 3.990 4.170 -0.000 0.000 0.240 129 I C 2.925 179.056 176.117 0.022 0.000 1.078 129 I CA 1.040 62.334 61.300 -0.009 0.000 1.343 129 I CB -0.190 37.836 38.000 0.042 0.000 1.046 129 I HN 0.103 nan 8.210 nan 0.000 0.405 130 Q N 0.496 120.344 119.800 0.080 0.000 2.291 130 Q HA -0.132 4.208 4.340 -0.000 0.000 0.205 130 Q C 2.405 178.499 176.000 0.156 0.000 0.970 130 Q CA 1.701 57.629 55.803 0.208 0.000 0.876 130 Q CB -0.505 28.468 28.738 0.390 0.000 0.935 130 Q HN 0.644 nan 8.270 nan 0.000 0.455 131 S N 0.037 115.649 115.700 -0.146 0.000 2.442 131 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 131 S C 1.498 175.959 174.600 -0.232 0.000 1.007 131 S CA 0.891 58.739 58.200 -0.588 0.000 0.965 131 S CB 0.137 62.959 63.200 -0.629 0.000 0.773 131 S HN 0.232 nan 8.310 nan 0.000 0.504 132 E N 0.827 120.979 120.200 -0.079 0.000 2.288 132 E HA 0.185 4.535 4.350 -0.000 0.000 0.200 132 E C 2.181 178.820 176.600 0.064 0.000 0.880 132 E CA 0.157 56.551 56.400 -0.010 0.000 0.971 132 E CB -0.308 29.388 29.700 -0.007 0.000 0.954 132 E HN 0.547 nan 8.360 nan 0.000 0.489 133 R N 1.099 121.637 120.500 0.063 0.000 2.075 133 R HA 0.016 4.356 4.340 -0.000 0.000 0.232 133 R C 2.123 178.508 176.300 0.141 0.000 1.126 133 R CA 1.378 57.525 56.100 0.078 0.000 0.963 133 R CB -0.085 30.247 30.300 0.053 0.000 0.858 133 R HN 0.085 nan 8.270 nan 0.000 0.435 134 A N -0.144 122.779 122.820 0.172 0.000 2.014 134 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 134 A C 1.843 179.552 177.584 0.208 0.000 1.163 134 A CA 1.595 53.759 52.037 0.212 0.000 0.652 134 A CB -0.382 18.789 19.000 0.284 0.000 0.808 134 A HN 0.575 nan 8.150 nan 0.000 0.449 135 T N -4.268 110.393 114.554 0.177 0.000 3.122 135 T HA 0.197 4.547 4.350 -0.000 0.000 0.250 135 T C 0.324 175.099 174.700 0.125 0.000 1.067 135 T CA -0.403 61.776 62.100 0.131 0.000 0.966 135 T CB -0.643 68.259 68.868 0.057 0.000 1.002 135 T HN 0.297 nan 8.240 nan 0.000 0.542 136 Y N 3.764 124.096 120.300 0.053 0.000 2.610 136 Y HA 0.307 4.856 4.550 -0.000 0.000 0.332 136 Y C 0.222 176.174 175.900 0.086 0.000 1.201 136 Y CA -0.598 57.539 58.100 0.062 0.000 1.465 136 Y CB 0.437 38.937 38.460 0.066 0.000 1.283 136 Y HN 0.503 nan 8.280 nan 0.000 0.563 137 E N 5.504 125.334 120.200 -0.617 0.000 2.343 137 E HA 0.285 4.635 4.350 -0.000 0.000 0.278 137 E C -2.117 174.174 176.600 -0.516 0.000 0.910 137 E CA -0.887 55.236 56.400 -0.461 0.000 0.757 137 E CB 1.435 31.035 29.700 -0.166 0.000 1.218 137 E HN 0.564 nan 8.360 nan 0.000 0.435 138 F N 3.742 123.479 119.950 -0.355 0.000 2.319 138 F HA 0.257 4.784 4.527 -0.000 0.000 0.356 138 F C -0.410 175.438 175.800 0.080 0.000 1.100 138 F CA -0.710 57.262 58.000 -0.046 0.000 1.220 138 F CB 0.736 39.779 39.000 0.071 0.000 1.506 138 F HN 0.519 nan 8.300 nan 0.000 0.512 139 D N 0.375 120.669 120.400 -0.177 0.000 2.501 139 D HA 0.030 4.670 4.640 -0.000 0.000 0.226 139 D C 0.915 177.028 176.300 -0.311 0.000 1.198 139 D CA 0.010 53.906 54.000 -0.173 0.000 0.830 139 D CB -0.734 39.970 40.800 -0.160 0.000 1.014 139 D HN 0.464 nan 8.370 nan 0.000 0.496 140 H N -0.532 118.215 119.070 -0.537 0.000 2.491 140 H HA 0.021 4.577 4.556 -0.000 0.000 0.290 140 H C 0.367 175.356 175.328 -0.564 0.000 1.050 140 H CA 1.191 56.877 56.048 -0.604 0.000 1.309 140 H CB -0.111 29.123 29.762 -0.881 0.000 1.392 140 H HN 0.239 nan 8.280 nan 0.000 0.554 141 Y N 0.144 120.399 120.300 -0.076 0.000 2.507 141 Y HA 0.192 4.742 4.550 -0.000 0.000 0.254 141 Y C 0.351 176.243 175.900 -0.014 0.000 1.171 141 Y CA -0.377 57.716 58.100 -0.011 0.000 1.238 141 Y CB 0.553 39.044 38.460 0.051 0.000 1.148 141 Y HN -0.128 nan 8.280 nan 0.000 0.525 142 K N 0.118 120.547 120.400 0.049 0.000 2.205 142 K HA 0.235 4.555 4.320 -0.000 0.000 0.279 142 K C 0.799 177.388 176.600 -0.019 0.000 1.027 142 K CA -0.022 56.277 56.287 0.021 0.000 0.932 142 K CB 1.874 34.372 32.500 -0.002 0.000 1.032 142 K HN 0.028 nan 8.250 nan 0.000 0.466 143 S N 0.805 116.502 115.700 -0.005 0.000 2.406 143 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 143 S C 1.200 175.781 174.600 -0.030 0.000 1.020 143 S CA 0.980 59.169 58.200 -0.019 0.000 0.965 143 S CB 0.067 63.264 63.200 -0.006 0.000 0.798 143 S HN 0.714 nan 8.310 nan 0.000 0.488 144 S N 2.296 117.981 115.700 -0.025 0.000 2.704 144 S HA 0.232 4.702 4.470 -0.000 0.000 0.241 144 S C -0.141 174.435 174.600 -0.040 0.000 1.264 144 S CA -0.877 57.305 58.200 -0.029 0.000 1.236 144 S CB -0.681 62.507 63.200 -0.019 0.000 0.928 144 S HN 0.462 nan 8.310 nan 0.000 0.492 145 K N 1.685 122.048 120.400 -0.061 0.000 2.297 145 K HA 0.297 4.617 4.320 -0.000 0.000 0.286 145 K C 0.006 176.566 176.600 -0.067 0.000 1.053 145 K CA -0.804 55.433 56.287 -0.083 0.000 0.940 145 K CB 0.707 33.120 32.500 -0.144 0.000 1.019 145 K HN 0.413 nan 8.250 nan 0.000 0.475 146 K N 1.717 122.091 120.400 -0.043 0.000 2.237 146 K HA 0.299 4.618 4.320 -0.000 0.000 0.270 146 K C -0.282 176.320 176.600 0.004 0.000 1.015 146 K CA -0.675 55.606 56.287 -0.010 0.000 0.949 146 K CB 0.897 33.413 32.500 0.028 0.000 0.976 146 K HN 0.631 nan 8.250 nan 0.000 0.472 147 A N 3.681 126.519 122.820 0.031 0.000 2.488 147 A HA 0.218 4.537 4.320 -0.000 0.000 0.249 147 A C -1.793 175.867 177.584 0.128 0.000 1.083 147 A CA -1.237 50.827 52.037 0.045 0.000 0.768 147 A CB -0.642 18.384 19.000 0.044 0.000 1.017 147 A HN 0.703 nan 8.150 nan 0.000 0.496 148 P HA 0.396 nan 4.420 nan 0.000 0.271 148 P C -0.928 176.436 177.300 0.106 0.000 1.216 148 P CA 0.248 63.364 63.100 0.026 0.000 0.771 148 P CB 0.323 31.981 31.700 -0.069 0.000 0.864 149 F N 0.100 120.009 119.950 -0.068 0.000 2.577 149 F HA 0.654 5.181 4.527 -0.000 0.000 0.318 149 F C -0.526 175.203 175.800 -0.118 0.000 1.065 149 F CA -1.420 56.519 58.000 -0.101 0.000 0.929 149 F CB 1.579 40.473 39.000 -0.177 0.000 1.237 149 F HN -0.070 nan 8.300 nan 0.000 0.468 150 K N 1.935 122.326 120.400 -0.016 0.000 2.183 150 K HA 0.379 4.699 4.320 -0.000 0.000 0.274 150 K C -0.889 175.693 176.600 -0.030 0.000 1.009 150 K CA -0.499 55.727 56.287 -0.103 0.000 0.888 150 K CB 1.794 34.261 32.500 -0.055 0.000 1.078 150 K HN 0.806 nan 8.250 nan 0.000 0.459 151 T N 3.181 117.662 114.554 -0.122 0.000 2.743 151 T HA 0.213 4.563 4.350 -0.000 0.000 0.292 151 T C -0.011 174.617 174.700 -0.119 0.000 0.972 151 T CA -0.734 61.328 62.100 -0.063 0.000 0.967 151 T CB 0.237 69.066 68.868 -0.065 0.000 0.926 151 T HN 0.244 nan 8.240 nan 0.000 0.459 152 N N 4.125 122.777 118.700 -0.079 0.000 2.401 152 N HA 0.210 4.950 4.740 -0.000 0.000 0.255 152 N C -0.671 174.773 175.510 -0.111 0.000 1.110 152 N CA -0.178 52.815 53.050 -0.094 0.000 0.949 152 N CB 0.888 39.342 38.487 -0.055 0.000 1.110 152 N HN 0.527 nan 8.380 nan 0.000 0.490 153 L N 2.799 123.916 121.223 -0.178 0.000 2.259 153 L HA 0.264 4.604 4.340 -0.000 0.000 0.288 153 L C 0.432 177.287 176.870 -0.025 0.000 1.051 153 L CA -0.441 54.311 54.840 -0.145 0.000 0.824 153 L CB 0.507 42.350 42.059 -0.360 0.000 1.206 153 L HN 0.244 nan 8.230 nan 0.000 0.429 154 N N 5.968 124.696 118.700 0.047 0.000 2.521 154 N HA 0.261 5.001 4.740 -0.000 0.000 0.236 154 N C -0.588 175.071 175.510 0.249 0.000 1.067 154 N CA -0.278 52.865 53.050 0.156 0.000 0.939 154 N CB 1.077 39.675 38.487 0.186 0.000 1.201 154 N HN 0.436 nan 8.380 nan 0.000 0.511 155 L N 3.288 124.636 121.223 0.209 0.000 2.367 155 L HA 0.362 4.701 4.340 -0.000 0.000 0.275 155 L C 0.414 177.403 176.870 0.197 0.000 1.129 155 L CA -0.012 54.955 54.840 0.212 0.000 0.839 155 L CB 0.479 42.657 42.059 0.198 0.000 1.133 155 L HN 0.282 nan 8.230 nan 0.000 0.453 156 I N 2.848 123.534 120.570 0.194 0.000 2.382 156 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 156 I C -0.093 176.098 176.117 0.122 0.000 1.002 156 I CA 0.073 61.460 61.300 0.145 0.000 1.135 156 I CB 1.819 39.904 38.000 0.142 0.000 1.288 156 I HN 0.537 nan 8.210 nan 0.000 0.448 157 S N 3.890 119.644 115.700 0.091 0.000 2.547 157 S HA 0.295 4.765 4.470 -0.000 0.000 0.281 157 S C 0.439 175.067 174.600 0.048 0.000 1.118 157 S CA -0.534 57.714 58.200 0.079 0.000 0.947 157 S CB 1.956 65.209 63.200 0.089 0.000 1.053 157 S HN 0.746 nan 8.310 nan 0.000 0.482 158 E N 1.708 121.931 120.200 0.038 0.000 2.216 158 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 158 E C 0.028 176.646 176.600 0.029 0.000 0.988 158 E CA 0.646 57.059 56.400 0.022 0.000 0.834 158 E CB 0.275 29.985 29.700 0.017 0.000 0.772 158 E HN 0.593 nan 8.360 nan 0.000 0.479 159 S N 0.539 116.261 115.700 0.037 0.000 2.440 159 S HA 0.371 4.841 4.470 -0.000 0.000 0.142 159 S C -0.872 173.754 174.600 0.043 0.000 1.578 159 S CA -0.915 57.306 58.200 0.036 0.000 1.260 159 S CB 0.747 63.965 63.200 0.030 0.000 1.407 159 S HN 0.077 nan 8.310 nan 0.000 0.392 160 L N 2.402 123.654 121.223 0.048 0.000 2.513 160 L HA 0.605 4.945 4.340 -0.000 0.000 0.261 160 L C -1.222 175.679 176.870 0.053 0.000 0.945 160 L CA -0.588 54.285 54.840 0.054 0.000 0.848 160 L CB 2.010 44.108 42.059 0.064 0.000 1.334 160 L HN 0.536 nan 8.230 nan 0.000 0.407 161 I N 1.731 122.333 120.570 0.053 0.000 4.193 161 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 161 I C 0.386 176.530 176.117 0.045 0.000 1.175 161 I CA 0.062 61.390 61.300 0.047 0.000 1.320 161 I CB 0.400 38.425 38.000 0.041 0.000 1.523 161 I HN 0.526 nan 8.210 nan 0.000 0.450 162 E N 1.542 121.776 120.200 0.057 0.000 2.257 162 E HA 0.183 4.533 4.350 -0.000 0.000 0.278 162 E C 0.051 176.676 176.600 0.042 0.000 1.049 162 E CA 0.002 56.432 56.400 0.050 0.000 0.876 162 E CB 1.200 30.948 29.700 0.081 0.000 1.035 162 E HN 0.086 nan 8.360 nan 0.000 0.419 163 L N 3.700 124.907 121.223 -0.026 0.000 2.808 163 L HA 0.113 4.453 4.340 -0.000 0.000 0.246 163 L C 0.650 177.380 176.870 -0.233 0.000 1.153 163 L CA 0.402 55.164 54.840 -0.129 0.000 0.956 163 L CB 0.455 42.426 42.059 -0.147 0.000 1.270 163 L HN 0.482 nan 8.230 nan 0.000 0.528 164 D N -0.673 119.631 120.400 -0.160 0.000 2.219 164 D HA -0.134 4.506 4.640 -0.000 0.000 0.205 164 D C 1.798 177.934 176.300 -0.273 0.000 0.970 164 D CA 1.276 55.151 54.000 -0.209 0.000 0.851 164 D CB 0.054 40.682 40.800 -0.288 0.000 0.943 164 D HN 0.291 nan 8.370 nan 0.000 0.488 165 F N 0.653 120.525 119.950 -0.130 0.000 2.293 165 F HA 0.024 4.550 4.527 -0.000 0.000 0.300 165 F C 2.292 177.968 175.800 -0.207 0.000 1.086 165 F CA 0.403 58.326 58.000 -0.129 0.000 1.375 165 F CB -0.288 38.653 39.000 -0.100 0.000 1.045 165 F HN -0.053 nan 8.300 nan 0.000 0.516 166 I N -1.116 119.339 120.570 -0.192 0.000 2.277 166 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 166 I C 2.357 178.254 176.117 -0.366 0.000 1.094 166 I CA 0.892 61.926 61.300 -0.443 0.000 1.393 166 I CB -0.563 36.935 38.000 -0.836 0.000 1.078 166 I HN 0.095 nan 8.210 nan 0.000 0.417 167 H N 0.533 119.456 119.070 -0.244 0.000 2.456 167 H HA -0.170 4.385 4.556 -0.000 0.000 0.296 167 H C 2.009 177.258 175.328 -0.130 0.000 1.079 167 H CA 1.312 57.255 56.048 -0.176 0.000 1.322 167 H CB -0.234 29.447 29.762 -0.136 0.000 1.388 167 H HN 0.462 nan 8.280 nan 0.000 0.538 168 E N 0.190 120.382 120.200 -0.013 0.000 2.072 168 E HA -0.090 4.259 4.350 -0.000 0.000 0.191 168 E C 2.464 179.052 176.600 -0.020 0.000 0.985 168 E CA 0.822 57.209 56.400 -0.023 0.000 0.801 168 E CB -0.119 29.561 29.700 -0.033 0.000 0.750 168 E HN 0.460 nan 8.360 nan 0.000 0.452 169 G N 1.026 109.801 108.800 -0.042 0.000 2.408 169 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.217 169 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.217 169 G C 1.564 176.432 174.900 -0.053 0.000 1.150 169 G CA 0.681 45.753 45.100 -0.047 0.000 0.776 169 G HN 0.224 nan 8.290 nan 0.000 0.542 170 I N 1.861 122.389 120.570 -0.069 0.000 2.179 170 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 170 I C 3.178 179.284 176.117 -0.018 0.000 1.088 170 I CA 1.620 62.895 61.300 -0.040 0.000 1.357 170 I CB -0.207 37.789 38.000 -0.007 0.000 1.051 170 I HN 0.326 nan 8.210 nan 0.000 0.409 171 S N 0.854 116.546 115.700 -0.013 0.000 2.402 171 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 171 S C 1.962 176.556 174.600 -0.010 0.000 1.021 171 S CA 0.822 59.015 58.200 -0.011 0.000 0.974 171 S CB -0.745 62.447 63.200 -0.015 0.000 0.800 171 S HN 0.403 nan 8.310 nan 0.000 0.484 172 I N 2.235 122.797 120.570 -0.013 0.000 2.202 172 I HA -0.026 4.144 4.170 -0.000 0.000 0.242 172 I C 2.950 179.057 176.117 -0.017 0.000 1.091 172 I CA 1.135 62.427 61.300 -0.014 0.000 1.368 172 I CB -1.040 36.956 38.000 -0.006 0.000 1.058 172 I HN 0.470 nan 8.210 nan 0.000 0.410 173 G N -0.055 108.737 108.800 -0.014 0.000 2.440 173 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 173 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 173 G C 1.579 176.468 174.900 -0.018 0.000 1.154 173 G CA 0.457 45.548 45.100 -0.014 0.000 0.767 173 G HN 0.401 nan 8.290 nan 0.000 0.552 174 Q N 0.232 120.026 119.800 -0.010 0.000 2.224 174 Q HA -0.023 4.317 4.340 -0.000 0.000 0.203 174 Q C 2.925 178.918 176.000 -0.012 0.000 0.970 174 Q CA 1.159 56.961 55.803 -0.001 0.000 0.865 174 Q CB -0.002 28.739 28.738 0.006 0.000 0.922 174 Q HN 0.459 nan 8.270 nan 0.000 0.445 175 S N 0.670 116.362 115.700 -0.014 0.000 2.387 175 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 175 S C 1.890 176.466 174.600 -0.040 0.000 1.026 175 S CA 0.728 58.919 58.200 -0.014 0.000 0.972 175 S CB -0.060 63.137 63.200 -0.006 0.000 0.814 175 S HN 0.295 nan 8.310 nan 0.000 0.477 176 I N 2.210 122.743 120.570 -0.060 0.000 2.252 176 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 176 I C 1.905 177.923 176.117 -0.165 0.000 1.102 176 I CA 0.882 62.123 61.300 -0.098 0.000 1.385 176 I CB -0.409 37.535 38.000 -0.093 0.000 1.064 176 I HN 0.205 nan 8.210 nan 0.000 0.414 177 N N 0.710 119.310 118.700 -0.167 0.000 2.244 177 N HA -0.146 4.594 4.740 -0.000 0.000 0.183 177 N C 1.737 177.171 175.510 -0.126 0.000 1.016 177 N CA 0.933 53.836 53.050 -0.244 0.000 0.866 177 N CB -0.372 38.102 38.487 -0.022 0.000 0.980 177 N HN 0.225 nan 8.380 nan 0.000 0.430 178 L N 0.869 122.038 121.223 -0.089 0.000 2.046 178 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 178 L C 2.017 178.848 176.870 -0.065 0.000 1.077 178 L CA 1.479 56.242 54.840 -0.129 0.000 0.747 178 L CB -0.816 41.160 42.059 -0.138 0.000 0.896 178 L HN 0.118 nan 8.230 nan 0.000 0.432 179 A N -0.402 122.427 122.820 0.015 0.000 1.902 179 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 179 A C 2.423 180.029 177.584 0.037 0.000 1.181 179 A CA 1.791 53.890 52.037 0.104 0.000 0.623 179 A CB -0.562 18.454 19.000 0.026 0.000 0.818 179 A HN 0.496 nan 8.150 nan 0.000 0.443 180 R N -0.433 119.998 120.500 -0.115 0.000 2.081 180 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 180 R C 1.653 177.923 176.300 -0.049 0.000 1.131 180 R CA 1.508 57.499 56.100 -0.181 0.000 0.960 180 R CB -0.368 29.573 30.300 -0.598 0.000 0.856 180 R HN 0.469 nan 8.270 nan 0.000 0.436 181 D N -0.072 120.326 120.400 -0.003 0.000 2.117 181 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 181 D C 1.650 177.899 176.300 -0.085 0.000 0.987 181 D CA 1.213 55.233 54.000 0.033 0.000 0.829 181 D CB -0.174 40.595 40.800 -0.052 0.000 0.961 181 D HN 0.073 nan 8.370 nan 0.000 0.460 182 F N 1.197 121.153 119.950 0.010 0.000 2.171 182 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 182 F C 2.712 178.440 175.800 -0.120 0.000 1.090 182 F CA 0.737 58.716 58.000 -0.033 0.000 1.293 182 F CB -0.632 38.384 39.000 0.026 0.000 1.013 182 F HN -0.129 nan 8.300 nan 0.000 0.486 183 S N -0.256 115.509 115.700 0.109 0.000 2.371 183 S HA -0.137 4.332 4.470 -0.000 0.000 0.224 183 S C 1.794 176.464 174.600 0.117 0.000 1.029 183 S CA 1.007 59.286 58.200 0.131 0.000 0.978 183 S CB -0.333 62.965 63.200 0.163 0.000 0.833 183 S HN 0.348 nan 8.310 nan 0.000 0.466 184 N N 0.710 119.353 118.700 -0.094 0.000 2.459 184 N HA 0.114 4.854 4.740 -0.000 0.000 0.181 184 N C 0.395 175.594 175.510 -0.518 0.000 1.046 184 N CA 0.232 53.042 53.050 -0.399 0.000 0.904 184 N CB -0.336 37.505 38.487 -1.076 0.000 0.964 184 N HN 0.334 nan 8.380 nan 0.000 0.444 185 M N 1.898 121.324 119.600 -0.291 0.000 2.260 185 M HA 0.069 4.549 4.480 -0.000 0.000 0.348 185 M C -2.265 173.965 176.300 -0.116 0.000 1.342 185 M CA -1.268 54.011 55.300 -0.035 0.000 1.040 185 M CB 0.553 33.201 32.600 0.079 0.000 1.810 185 M HN -0.140 nan 8.290 nan 0.000 0.453 186 P HA 0.087 nan 4.420 nan 0.000 0.268 186 P C -2.219 174.987 177.300 -0.156 0.000 1.205 186 P CA -0.944 62.032 63.100 -0.207 0.000 0.771 186 P CB 0.010 31.521 31.700 -0.314 0.000 0.858 187 P HA -0.162 nan 4.420 nan 0.000 0.223 187 P C 0.752 177.946 177.300 -0.176 0.000 1.151 187 P CA 1.400 64.414 63.100 -0.143 0.000 0.787 187 P CB -0.157 31.454 31.700 -0.148 0.000 0.788 188 N N -0.054 118.535 118.700 -0.185 0.000 2.494 188 N HA -0.034 4.706 4.740 -0.000 0.000 0.182 188 N C 1.303 176.736 175.510 -0.129 0.000 1.076 188 N CA 0.614 53.571 53.050 -0.155 0.000 0.908 188 N CB -0.914 37.495 38.487 -0.130 0.000 0.967 188 N HN 0.087 nan 8.380 nan 0.000 0.449 189 V N 0.224 120.077 119.914 -0.101 0.000 2.627 189 V HA 0.162 4.282 4.120 -0.000 0.000 0.239 189 V C 0.825 176.900 176.094 -0.032 0.000 1.077 189 V CA 0.096 62.377 62.300 -0.032 0.000 1.103 189 V CB -0.153 31.703 31.823 0.054 0.000 0.802 189 V HN 0.144 nan 8.190 nan 0.000 0.482 190 L N 2.838 124.041 121.223 -0.033 0.000 2.328 190 L HA 0.382 4.722 4.340 -0.000 0.000 0.280 190 L C 0.492 177.315 176.870 -0.079 0.000 1.111 190 L CA 0.353 55.185 54.840 -0.013 0.000 0.909 190 L CB 0.160 42.218 42.059 -0.001 0.000 1.277 190 L HN 0.471 nan 8.230 nan 0.000 0.433 191 T N 1.291 115.786 114.554 -0.098 0.000 2.912 191 T HA 0.492 4.842 4.350 -0.000 0.000 0.280 191 T C -1.829 172.881 174.700 0.017 0.000 0.989 191 T CA -1.865 60.157 62.100 -0.131 0.000 0.995 191 T CB 1.222 69.867 68.868 -0.371 0.000 1.077 191 T HN 0.229 nan 8.240 nan 0.000 0.531 192 P HA -0.170 nan 4.420 nan 0.000 0.216 192 P C 1.726 179.091 177.300 0.108 0.000 1.153 192 P CA 1.208 64.378 63.100 0.117 0.000 0.858 192 P CB 0.052 31.796 31.700 0.074 0.000 0.789 193 Q N -0.465 119.374 119.800 0.065 0.000 2.020 193 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 193 Q C 2.018 178.056 176.000 0.063 0.000 0.982 193 Q CA 2.790 58.624 55.803 0.053 0.000 0.838 193 Q CB -0.684 28.085 28.738 0.052 0.000 0.899 193 Q HN 0.284 nan 8.270 nan 0.000 0.423 194 T N -1.284 113.313 114.554 0.071 0.000 2.867 194 T HA -0.137 4.212 4.350 -0.000 0.000 0.268 194 T C 1.616 176.426 174.700 0.183 0.000 1.057 194 T CA 0.900 63.059 62.100 0.099 0.000 1.136 194 T CB -0.510 68.403 68.868 0.075 0.000 0.874 194 T HN 0.305 nan 8.240 nan 0.000 0.466 195 F N 3.028 122.976 119.950 -0.003 0.000 2.102 195 F HA 0.210 4.737 4.527 -0.000 0.000 0.298 195 F C 2.636 178.391 175.800 -0.075 0.000 1.105 195 F CA 0.414 58.383 58.000 -0.051 0.000 1.239 195 F CB -1.188 37.752 39.000 -0.100 0.000 0.991 195 F HN 0.286 nan 8.300 nan 0.000 0.474 196 A N 0.081 122.829 122.820 -0.120 0.000 1.877 196 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 196 A C 2.165 179.698 177.584 -0.086 0.000 1.186 196 A CA 1.867 53.789 52.037 -0.191 0.000 0.620 196 A CB -0.972 17.972 19.000 -0.093 0.000 0.822 196 A HN 0.531 nan 8.150 nan 0.000 0.443 197 E N -0.321 119.878 120.200 -0.001 0.000 2.110 197 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 197 E C 1.491 178.131 176.600 0.066 0.000 0.988 197 E CA 1.238 57.660 56.400 0.037 0.000 0.804 197 E CB -0.197 29.535 29.700 0.054 0.000 0.745 197 E HN 0.537 nan 8.360 nan 0.000 0.458 198 D N 0.388 120.852 120.400 0.107 0.000 2.144 198 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 198 D C 1.868 178.274 176.300 0.176 0.000 0.978 198 D CA 0.773 54.892 54.000 0.199 0.000 0.833 198 D CB -0.077 40.978 40.800 0.425 0.000 0.961 198 D HN 0.177 nan 8.370 nan 0.000 0.470 199 I N 0.053 120.638 120.570 0.025 0.000 2.252 199 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 199 I C 2.322 178.540 176.117 0.168 0.000 1.102 199 I CA 0.479 61.797 61.300 0.030 0.000 1.385 199 I CB -0.128 37.764 38.000 -0.180 0.000 1.064 199 I HN -0.108 nan 8.210 nan 0.000 0.414 200 V N 1.312 121.287 119.914 0.102 0.000 2.255 200 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 200 V C 2.175 178.341 176.094 0.121 0.000 1.051 200 V CA 2.081 64.451 62.300 0.117 0.000 1.018 200 V CB -0.827 31.035 31.823 0.064 0.000 0.641 200 V HN 0.463 nan 8.190 nan 0.000 0.445 201 N N -0.585 118.172 118.700 0.096 0.000 2.223 201 N HA -0.180 4.559 4.740 -0.000 0.000 0.185 201 N C 1.810 177.352 175.510 0.053 0.000 1.016 201 N CA 1.710 54.804 53.050 0.073 0.000 0.863 201 N CB -0.488 38.041 38.487 0.069 0.000 0.983 201 N HN 0.731 nan 8.380 nan 0.000 0.429 202 H N -0.477 118.561 119.070 -0.054 0.000 2.357 202 H HA 0.024 4.580 4.556 -0.000 0.000 0.301 202 H C 0.818 175.989 175.328 -0.260 0.000 1.082 202 H CA 1.495 57.418 56.048 -0.208 0.000 1.342 202 H CB -0.162 29.391 29.762 -0.350 0.000 1.389 202 H HN 0.063 nan 8.280 nan 0.000 0.511 203 F N 0.447 120.410 119.950 0.021 0.000 2.732 203 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 203 F C 2.078 177.859 175.800 -0.032 0.000 1.110 203 F CA 0.032 58.010 58.000 -0.037 0.000 1.355 203 F CB -0.051 38.977 39.000 0.046 0.000 1.081 203 F HN 0.109 nan 8.300 nan 0.000 0.565 204 K N 0.564 121.022 120.400 0.096 0.000 2.032 204 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 204 K C 0.975 177.604 176.600 0.048 0.000 1.048 204 K CA 1.486 57.814 56.287 0.069 0.000 0.927 204 K CB 0.006 32.529 32.500 0.037 0.000 0.712 204 K HN 0.110 nan 8.250 nan 0.000 0.441 205 N N 0.928 119.640 118.700 0.019 0.000 2.279 205 N HA 0.005 4.745 4.740 -0.000 0.000 0.226 205 N C -0.404 175.120 175.510 0.024 0.000 1.126 205 N CA 0.256 53.314 53.050 0.013 0.000 0.846 205 N CB 0.976 39.458 38.487 -0.009 0.000 1.050 205 N HN 0.352 nan 8.380 nan 0.000 0.502 206 T N -3.524 111.068 114.554 0.062 0.000 2.870 206 T HA 0.322 4.672 4.350 -0.000 0.000 0.277 206 T C 1.076 175.828 174.700 0.088 0.000 1.000 206 T CA -0.640 61.512 62.100 0.086 0.000 0.982 206 T CB 2.143 71.110 68.868 0.164 0.000 1.249 206 T HN -0.197 nan 8.240 nan 0.000 0.589 207 K N -0.381 120.080 120.400 0.101 0.000 2.439 207 K HA 0.165 4.485 4.320 -0.000 0.000 0.197 207 K C 0.102 176.760 176.600 0.096 0.000 1.041 207 K CA 0.141 56.488 56.287 0.100 0.000 0.970 207 K CB -0.143 32.446 32.500 0.149 0.000 0.773 207 K HN 0.450 nan 8.250 nan 0.000 0.479 208 V N 3.522 123.478 119.914 0.070 0.000 2.455 208 V HA 0.080 4.200 4.120 -0.000 0.000 0.273 208 V C 0.002 176.055 176.094 -0.069 0.000 1.045 208 V CA -0.347 61.907 62.300 -0.077 0.000 0.976 208 V CB 1.136 32.667 31.823 -0.487 0.000 0.993 208 V HN 0.088 nan 8.190 nan 0.000 0.475 209 K N 4.002 124.363 120.400 -0.065 0.000 2.143 209 K HA 0.632 4.952 4.320 -0.000 0.000 0.272 209 K C -0.798 175.773 176.600 -0.048 0.000 1.001 209 K CA -0.474 55.798 56.287 -0.026 0.000 0.915 209 K CB 2.151 34.647 32.500 -0.006 0.000 1.047 209 K HN 0.410 nan 8.250 nan 0.000 0.458 210 V N 1.938 121.854 119.914 0.003 0.000 2.531 210 V HA 0.174 4.294 4.120 -0.000 0.000 0.301 210 V C -0.756 175.352 176.094 0.023 0.000 1.034 210 V CA -0.926 61.380 62.300 0.010 0.000 0.865 210 V CB 1.886 33.747 31.823 0.064 0.000 0.995 210 V HN 0.726 nan 8.190 nan 0.000 0.424 211 D N 3.227 123.639 120.400 0.021 0.000 2.375 211 D HA 0.629 5.269 4.640 -0.000 0.000 0.247 211 D C -1.080 175.221 176.300 0.002 0.000 1.061 211 D CA -0.240 53.778 54.000 0.030 0.000 0.834 211 D CB 2.101 42.941 40.800 0.067 0.000 1.247 211 D HN 0.301 nan 8.370 nan 0.000 0.489 212 V N 4.258 124.167 119.914 -0.008 0.000 2.417 212 V HA 0.358 4.478 4.120 -0.000 0.000 0.291 212 V C -0.065 176.002 176.094 -0.045 0.000 1.024 212 V CA -0.843 61.434 62.300 -0.037 0.000 0.861 212 V CB 1.556 33.361 31.823 -0.029 0.000 0.985 212 V HN 0.492 nan 8.190 nan 0.000 0.436 213 K N 4.036 124.379 120.400 -0.095 0.000 2.292 213 K HA 0.330 4.650 4.320 -0.000 0.000 0.270 213 K C -0.194 176.347 176.600 -0.099 0.000 1.062 213 K CA -0.622 55.591 56.287 -0.124 0.000 0.916 213 K CB 0.572 32.915 32.500 -0.261 0.000 1.166 213 K HN 0.904 nan 8.250 nan 0.000 0.458 214 D N 2.076 122.453 120.400 -0.039 0.000 2.398 214 D HA -0.135 4.505 4.640 -0.000 0.000 0.247 214 D C 1.024 177.353 176.300 0.048 0.000 1.227 214 D CA -0.134 53.876 54.000 0.015 0.000 0.980 214 D CB 0.277 41.099 40.800 0.038 0.000 1.106 214 D HN 0.428 nan 8.370 nan 0.000 0.493 215 Y N 0.332 120.610 120.300 -0.038 0.000 2.128 215 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 215 Y C 1.503 177.394 175.900 -0.015 0.000 1.154 215 Y CA 2.350 60.432 58.100 -0.029 0.000 1.149 215 Y CB -0.561 37.893 38.460 -0.010 0.000 0.976 215 Y HN 0.429 nan 8.280 nan 0.000 0.505 216 D N -1.333 119.018 120.400 -0.081 0.000 2.117 216 D HA -0.158 4.481 4.640 -0.000 0.000 0.197 216 D C 2.079 178.312 176.300 -0.111 0.000 0.987 216 D CA 2.120 56.030 54.000 -0.150 0.000 0.829 216 D CB -0.359 40.415 40.800 -0.044 0.000 0.961 216 D HN 0.319 nan 8.370 nan 0.000 0.460 217 T N 0.578 115.097 114.554 -0.058 0.000 2.821 217 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 217 T C 1.968 176.652 174.700 -0.028 0.000 1.046 217 T CA 0.372 62.453 62.100 -0.030 0.000 1.139 217 T CB -0.321 68.532 68.868 -0.024 0.000 0.871 217 T HN 0.096 nan 8.240 nan 0.000 0.454 218 L N 1.729 122.898 121.223 -0.091 0.000 2.042 218 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 218 L C 2.638 179.539 176.870 0.051 0.000 1.076 218 L CA 1.361 56.140 54.840 -0.101 0.000 0.749 218 L CB -0.330 41.643 42.059 -0.143 0.000 0.893 218 L HN 0.285 nan 8.230 nan 0.000 0.432 219 V N -3.534 116.318 119.914 -0.103 0.000 2.407 219 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 219 V C 2.421 178.509 176.094 -0.010 0.000 1.041 219 V CA 1.593 63.839 62.300 -0.090 0.000 1.040 219 V CB -0.872 30.795 31.823 -0.261 0.000 0.671 219 V HN 0.591 nan 8.190 nan 0.000 0.455 220 S N 0.015 115.706 115.700 -0.014 0.000 2.453 220 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 220 S C 1.717 176.349 174.600 0.053 0.000 1.005 220 S CA 1.228 59.434 58.200 0.011 0.000 0.949 220 S CB -0.559 62.641 63.200 -0.000 0.000 0.774 220 S HN 0.760 nan 8.310 nan 0.000 0.510 221 E N 0.868 121.135 120.200 0.111 0.000 2.489 221 E HA 0.247 4.596 4.350 -0.000 0.000 0.193 221 E C 0.949 177.601 176.600 0.086 0.000 1.057 221 E CA 0.183 56.674 56.400 0.151 0.000 0.866 221 E CB -0.059 29.813 29.700 0.287 0.000 0.916 221 E HN 0.730 nan 8.360 nan 0.000 0.500 222 G N 1.360 110.211 108.800 0.085 0.000 2.142 222 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.225 222 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.225 222 G C -0.057 174.807 174.900 -0.059 0.000 1.015 222 G CA -0.484 44.616 45.100 0.001 0.000 0.716 222 G HN 0.220 nan 8.290 nan 0.000 0.508 223 F N 2.119 122.064 119.950 -0.008 0.000 2.651 223 F HA 0.398 4.925 4.527 -0.000 0.000 0.369 223 F C 2.015 177.802 175.800 -0.022 0.000 1.187 223 F CA 0.593 58.586 58.000 -0.012 0.000 1.335 223 F CB 0.203 39.185 39.000 -0.031 0.000 1.707 223 F HN 0.159 nan 8.300 nan 0.000 0.637 224 G N 0.706 109.549 108.800 0.072 0.000 2.440 224 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 224 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 224 G C 1.647 176.530 174.900 -0.027 0.000 1.154 224 G CA 0.555 45.684 45.100 0.049 0.000 0.767 224 G HN 0.486 nan 8.290 nan 0.000 0.552 225 L N -0.490 120.731 121.223 -0.003 0.000 2.072 225 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 225 L C 2.652 179.489 176.870 -0.054 0.000 1.079 225 L CA 0.329 55.138 54.840 -0.051 0.000 0.752 225 L CB -0.448 41.615 42.059 0.007 0.000 0.906 225 L HN 0.210 nan 8.230 nan 0.000 0.436 226 L N 0.093 121.341 121.223 0.041 0.000 2.083 226 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 226 L C 2.580 179.473 176.870 0.038 0.000 1.083 226 L CA 1.704 56.577 54.840 0.055 0.000 0.752 226 L CB -0.732 41.394 42.059 0.111 0.000 0.899 226 L HN 0.294 nan 8.230 nan 0.000 0.433 227 Q N -0.648 119.182 119.800 0.050 0.000 2.050 227 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 227 Q C 2.121 178.098 176.000 -0.039 0.000 0.980 227 Q CA 1.943 57.797 55.803 0.085 0.000 0.840 227 Q CB -0.216 28.558 28.738 0.059 0.000 0.898 227 Q HN 0.621 nan 8.270 nan 0.000 0.424 228 A N 0.146 122.799 122.820 -0.277 0.000 1.908 228 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 228 A C 2.211 179.636 177.584 -0.266 0.000 1.181 228 A CA 1.715 53.408 52.037 -0.572 0.000 0.627 228 A CB -0.756 17.384 19.000 -1.432 0.000 0.818 228 A HN 0.323 nan 8.150 nan 0.000 0.445 229 V N -0.655 119.162 119.914 -0.161 0.000 2.358 229 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 229 V C 2.536 178.611 176.094 -0.032 0.000 1.047 229 V CA 1.918 64.177 62.300 -0.068 0.000 1.035 229 V CB -0.939 30.861 31.823 -0.037 0.000 0.658 229 V HN 0.625 nan 8.190 nan 0.000 0.452 230 G N 0.240 109.026 108.800 -0.024 0.000 2.986 230 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.213 230 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.213 230 G C 1.381 176.239 174.900 -0.070 0.000 1.156 230 G CA 0.399 45.481 45.100 -0.030 0.000 0.763 230 G HN 0.638 nan 8.290 nan 0.000 0.547 231 K N 0.147 120.528 120.400 -0.032 0.000 2.283 231 K HA 0.099 4.419 4.320 -0.000 0.000 0.202 231 K C 2.101 178.679 176.600 -0.037 0.000 1.048 231 K CA 1.062 57.332 56.287 -0.029 0.000 0.948 231 K CB -0.187 32.364 32.500 0.085 0.000 0.742 231 K HN 0.066 nan 8.250 nan 0.000 0.458 232 G N 0.888 109.678 108.800 -0.016 0.000 2.744 232 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.211 232 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.211 232 G C 0.222 175.095 174.900 -0.045 0.000 1.143 232 G CA -0.045 45.051 45.100 -0.007 0.000 0.788 232 G HN 0.340 nan 8.290 nan 0.000 0.534 233 S N -0.923 114.734 115.700 -0.072 0.000 2.651 233 S HA 0.361 4.831 4.470 -0.000 0.000 0.291 233 S C 1.302 175.799 174.600 -0.172 0.000 1.141 233 S CA -0.569 57.575 58.200 -0.094 0.000 1.027 233 S CB 1.853 65.028 63.200 -0.041 0.000 1.043 233 S HN 0.198 nan 8.310 nan 0.000 0.530 234 K N 1.175 121.416 120.400 -0.266 0.000 2.097 234 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 234 K C 0.041 176.390 176.600 -0.419 0.000 1.050 234 K CA 1.020 57.077 56.287 -0.383 0.000 0.938 234 K CB -0.164 32.022 32.500 -0.523 0.000 0.718 234 K HN 0.685 nan 8.250 nan 0.000 0.442 235 H N 2.084 121.099 119.070 -0.092 0.000 2.872 235 H HA 0.132 4.688 4.556 -0.000 0.000 0.273 235 H C -0.290 174.957 175.328 -0.136 0.000 1.205 235 H CA -0.339 55.656 56.048 -0.089 0.000 1.342 235 H CB 0.481 30.211 29.762 -0.052 0.000 1.469 235 H HN -0.027 nan 8.280 nan 0.000 0.487 236 K N 3.858 124.172 120.400 -0.144 0.000 2.276 236 K HA 0.150 4.470 4.320 -0.000 0.000 0.259 236 K C -2.096 174.415 176.600 -0.148 0.000 1.001 236 K CA -1.717 54.363 56.287 -0.346 0.000 0.927 236 K CB 0.319 32.356 32.500 -0.772 0.000 0.969 236 K HN 0.406 nan 8.250 nan 0.000 0.490 237 P HA 0.115 nan 4.420 nan 0.000 0.271 237 P C -0.352 176.969 177.300 0.034 0.000 1.233 237 P CA -0.030 63.075 63.100 0.008 0.000 0.789 237 P CB 0.678 32.406 31.700 0.047 0.000 0.951 238 R N 0.342 120.845 120.500 0.005 0.000 2.771 238 R HA 0.583 4.923 4.340 -0.000 0.000 0.274 238 R C -0.964 175.274 176.300 -0.103 0.000 0.987 238 R CA -1.098 54.979 56.100 -0.038 0.000 0.908 238 R CB 1.525 31.813 30.300 -0.020 0.000 1.213 238 R HN 0.424 nan 8.270 nan 0.000 0.468 239 L N 1.582 122.689 121.223 -0.194 0.000 2.325 239 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 239 L C -1.118 175.645 176.870 -0.177 0.000 1.004 239 L CA -0.612 54.079 54.840 -0.248 0.000 0.823 239 L CB 1.894 43.632 42.059 -0.535 0.000 1.236 239 L HN 0.305 nan 8.230 nan 0.000 0.415 240 V N 3.652 123.495 119.914 -0.119 0.000 2.370 240 V HA 0.505 4.625 4.120 -0.000 0.000 0.283 240 V C -0.010 176.062 176.094 -0.037 0.000 1.023 240 V CA -0.464 61.778 62.300 -0.096 0.000 0.857 240 V CB 1.528 33.256 31.823 -0.159 0.000 0.985 240 V HN 0.802 nan 8.190 nan 0.000 0.443 241 T N 6.609 121.164 114.554 0.002 0.000 2.771 241 T HA 0.681 5.031 4.350 -0.000 0.000 0.281 241 T C -0.274 174.417 174.700 -0.015 0.000 0.982 241 T CA -0.109 62.023 62.100 0.053 0.000 0.978 241 T CB 0.870 69.848 68.868 0.183 0.000 0.930 241 T HN 0.409 nan 8.240 nan 0.000 0.447 242 I N 3.735 124.268 120.570 -0.062 0.000 2.410 242 I HA 0.358 4.527 4.170 -0.000 0.000 0.286 242 I C 0.367 176.406 176.117 -0.131 0.000 1.009 242 I CA -0.758 60.470 61.300 -0.121 0.000 1.111 242 I CB 1.742 39.644 38.000 -0.165 0.000 1.262 242 I HN 0.634 nan 8.210 nan 0.000 0.443 243 T N 2.416 116.902 114.554 -0.114 0.000 2.797 243 T HA 0.539 4.889 4.350 -0.000 0.000 0.279 243 T C -1.000 173.686 174.700 -0.023 0.000 0.991 243 T CA -0.767 61.283 62.100 -0.083 0.000 0.979 243 T CB 1.624 70.452 68.868 -0.067 0.000 0.943 243 T HN 0.414 nan 8.240 nan 0.000 0.444 244 Y N 2.767 122.986 120.300 -0.135 0.000 2.329 244 Y HA 0.458 5.008 4.550 -0.000 0.000 0.328 244 Y C -1.117 174.740 175.900 -0.071 0.000 0.992 244 Y CA -1.286 56.747 58.100 -0.113 0.000 1.151 244 Y CB 1.452 39.838 38.460 -0.124 0.000 1.150 244 Y HN 0.702 nan 8.280 nan 0.000 0.450 245 N N 4.638 123.006 118.700 -0.553 0.000 2.801 245 N HA 0.190 4.929 4.740 -0.000 0.000 0.235 245 N C 0.675 175.758 175.510 -0.712 0.000 1.069 245 N CA 0.317 53.067 53.050 -0.500 0.000 0.946 245 N CB 1.656 39.997 38.487 -0.242 0.000 1.212 245 N HN 1.076 nan 8.380 nan 0.000 0.509 246 G N 0.884 109.132 108.800 -0.919 0.000 2.712 246 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.212 246 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.212 246 G C 1.258 176.012 174.900 -0.243 0.000 1.142 246 G CA 0.495 45.208 45.100 -0.646 0.000 0.789 246 G HN 0.468 nan 8.290 nan 0.000 0.535 247 K N -1.410 118.869 120.400 -0.202 0.000 2.485 247 K HA 0.314 4.634 4.320 -0.000 0.000 0.200 247 K C -0.467 176.072 176.600 -0.101 0.000 1.344 247 K CA -0.064 56.154 56.287 -0.115 0.000 0.948 247 K CB 0.760 33.211 32.500 -0.083 0.000 1.454 247 K HN 0.046 nan 8.250 nan 0.000 0.502 248 D N -0.403 119.933 120.400 -0.107 0.000 2.596 248 D HA 0.282 4.922 4.640 -0.000 0.000 0.234 248 D C -0.300 175.950 176.300 -0.082 0.000 1.181 248 D CA -0.666 53.287 54.000 -0.079 0.000 0.856 248 D CB 1.868 42.633 40.800 -0.058 0.000 1.498 248 D HN -0.082 nan 8.370 nan 0.000 0.446 249 K N 0.696 121.059 120.400 -0.061 0.000 2.393 249 K HA 0.141 4.461 4.320 -0.000 0.000 0.193 249 K C -0.259 176.320 176.600 -0.035 0.000 1.026 249 K CA 0.250 56.506 56.287 -0.051 0.000 1.064 249 K CB 0.392 32.867 32.500 -0.041 0.000 0.833 249 K HN 0.287 nan 8.250 nan 0.000 0.521 250 D N 1.106 121.486 120.400 -0.033 0.000 2.846 250 D HA 0.169 4.808 4.640 -0.000 0.000 0.279 250 D C -1.426 174.860 176.300 -0.023 0.000 1.222 250 D CA -0.054 53.932 54.000 -0.023 0.000 0.769 250 D CB 0.331 41.118 40.800 -0.022 0.000 1.299 250 D HN 0.046 nan 8.370 nan 0.000 0.537 251 E N -0.050 120.137 120.200 -0.021 0.000 2.388 251 E HA 0.626 4.976 4.350 -0.000 0.000 0.280 251 E C -1.179 175.416 176.600 -0.009 0.000 1.019 251 E CA -1.032 55.358 56.400 -0.018 0.000 0.806 251 E CB 1.517 31.202 29.700 -0.025 0.000 1.246 251 E HN 0.160 nan 8.360 nan 0.000 0.443 252 A N 4.181 127.000 122.820 -0.001 0.000 2.537 252 A HA 0.273 4.593 4.320 -0.000 0.000 0.260 252 A C -2.136 175.457 177.584 0.016 0.000 1.082 252 A CA -0.579 51.464 52.037 0.011 0.000 0.765 252 A CB -0.473 18.535 19.000 0.013 0.000 1.019 252 A HN 0.299 nan 8.150 nan 0.000 0.507 253 P HA 0.392 nan 4.420 nan 0.000 0.276 253 P C -0.546 176.780 177.300 0.044 0.000 1.261 253 P CA -0.409 62.700 63.100 0.016 0.000 0.800 253 P CB 0.758 32.450 31.700 -0.014 0.000 1.066 254 I N 0.469 121.082 120.570 0.072 0.000 2.315 254 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 254 I C 0.641 176.806 176.117 0.081 0.000 1.006 254 I CA -0.706 60.669 61.300 0.125 0.000 1.265 254 I CB 1.066 39.208 38.000 0.236 0.000 1.387 254 I HN 0.306 nan 8.210 nan 0.000 0.475 255 A N 8.308 131.161 122.820 0.054 0.000 2.309 255 A HA 0.680 4.999 4.320 -0.000 0.000 0.290 255 A C -0.487 177.145 177.584 0.079 0.000 1.206 255 A CA -0.317 51.733 52.037 0.021 0.000 0.850 255 A CB 0.137 19.125 19.000 -0.019 0.000 1.118 255 A HN 0.712 nan 8.150 nan 0.000 0.523 256 L N 4.058 125.348 121.223 0.111 0.000 2.316 256 L HA 0.426 4.766 4.340 -0.000 0.000 0.280 256 L C -0.816 176.181 176.870 0.212 0.000 1.006 256 L CA -0.713 54.264 54.840 0.228 0.000 0.836 256 L CB 1.599 43.803 42.059 0.242 0.000 1.221 256 L HN 0.404 nan 8.230 nan 0.000 0.418 257 V N 1.952 122.017 119.914 0.251 0.000 2.435 257 V HA 0.742 4.862 4.120 -0.000 0.000 0.290 257 V C 0.517 176.802 176.094 0.317 0.000 1.030 257 V CA -0.435 62.001 62.300 0.228 0.000 0.881 257 V CB 1.660 33.588 31.823 0.175 0.000 0.983 257 V HN 0.835 nan 8.190 nan 0.000 0.445 258 G N 2.840 111.793 108.800 0.255 0.000 2.566 258 G HA2 0.508 4.468 3.960 -0.000 0.000 0.311 258 G HA3 0.508 4.468 3.960 -0.000 0.000 0.311 258 G C -0.896 174.130 174.900 0.210 0.000 1.322 258 G CA -0.747 44.511 45.100 0.263 0.000 0.969 258 G HN 0.643 nan 8.290 nan 0.000 0.490 259 K N 1.455 121.981 120.400 0.210 0.000 2.349 259 K HA 0.360 4.679 4.320 -0.000 0.000 0.289 259 K C 0.679 177.363 176.600 0.139 0.000 1.064 259 K CA -0.251 56.133 56.287 0.163 0.000 0.947 259 K CB 0.474 33.069 32.500 0.158 0.000 1.007 259 K HN 0.461 nan 8.250 nan 0.000 0.478 260 G N 6.223 115.102 108.800 0.131 0.000 4.486 260 G HA2 0.196 4.156 3.960 -0.000 0.000 0.306 260 G HA3 0.196 4.156 3.960 -0.000 0.000 0.306 260 G C -0.035 174.903 174.900 0.063 0.000 1.331 260 G CA -0.471 44.708 45.100 0.131 0.000 1.113 260 G HN 0.548 nan 8.290 nan 0.000 0.594 261 I N 3.135 123.724 120.570 0.033 0.000 2.389 261 I HA 0.030 4.200 4.170 -0.000 0.000 0.295 261 I C 1.997 178.097 176.117 -0.029 0.000 1.117 261 I CA 0.211 61.515 61.300 0.007 0.000 1.317 261 I CB -0.061 37.938 38.000 -0.001 0.000 1.431 261 I HN 0.275 nan 8.210 nan 0.000 0.521 262 T N 3.472 118.010 114.554 -0.026 0.000 2.833 262 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 262 T C 0.368 175.093 174.700 0.042 0.000 1.054 262 T CA 1.092 63.158 62.100 -0.056 0.000 1.135 262 T CB -0.068 68.765 68.868 -0.058 0.000 0.869 262 T HN 0.440 nan 8.240 nan 0.000 0.466 263 Y N 0.301 120.553 120.300 -0.080 0.000 2.482 263 Y HA 0.475 5.025 4.550 -0.000 0.000 0.334 263 Y C -2.152 173.715 175.900 -0.054 0.000 1.091 263 Y CA -1.822 56.231 58.100 -0.079 0.000 1.027 263 Y CB 2.050 40.461 38.460 -0.082 0.000 1.306 263 Y HN -0.008 nan 8.280 nan 0.000 0.446 264 D N 2.312 122.369 120.400 -0.572 0.000 2.462 264 D HA 0.244 4.883 4.640 -0.000 0.000 0.245 264 D C 0.238 176.295 176.300 -0.405 0.000 1.122 264 D CA 0.030 53.829 54.000 -0.335 0.000 0.864 264 D CB 1.387 42.045 40.800 -0.236 0.000 1.098 264 D HN 0.492 nan 8.370 nan 0.000 0.541 265 S N 2.108 117.739 115.700 -0.114 0.000 2.501 265 S HA 0.272 4.742 4.470 -0.000 0.000 0.220 265 S C 1.682 176.249 174.600 -0.055 0.000 0.997 265 S CA 0.568 58.757 58.200 -0.018 0.000 0.919 265 S CB 0.252 63.509 63.200 0.096 0.000 0.778 265 S HN 0.798 nan 8.310 nan 0.000 0.523 266 G N 0.509 109.270 108.800 -0.065 0.000 2.213 266 G HA2 0.179 4.139 3.960 -0.000 0.000 0.226 266 G HA3 0.179 4.139 3.960 -0.000 0.000 0.226 266 G C 1.164 176.044 174.900 -0.033 0.000 0.992 266 G CA 0.247 45.314 45.100 -0.054 0.000 0.632 266 G HN 1.769 nan 8.290 nan 0.000 0.511 267 G N -0.669 108.108 108.800 -0.038 0.000 2.539 267 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.256 267 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.256 267 G C 0.533 175.391 174.900 -0.070 0.000 1.233 267 G CA 0.626 45.703 45.100 -0.038 0.000 0.936 267 G HN 1.037 nan 8.290 nan 0.000 0.571 268 Y N 1.295 121.595 120.300 0.000 0.000 2.403 268 Y HA 0.107 4.657 4.550 -0.000 0.000 0.291 268 Y C 2.717 178.607 175.900 -0.016 0.000 1.143 268 Y CA 1.756 59.855 58.100 -0.002 0.000 1.257 268 Y CB 0.057 38.520 38.460 0.005 0.000 0.984 268 Y HN 0.277 nan 8.280 nan 0.000 0.550 269 S N 1.151 116.910 115.700 0.097 0.000 4.183 269 S HA 0.132 4.602 4.470 -0.000 0.000 0.195 269 S C 0.205 174.799 174.600 -0.010 0.000 1.421 269 S CA -0.353 57.859 58.200 0.020 0.000 0.920 269 S CB -1.128 62.053 63.200 -0.031 0.000 1.525 269 S HN 0.231 nan 8.310 nan 0.000 0.447 270 I N 2.186 122.752 120.570 -0.007 0.000 2.752 270 I HA 0.032 4.202 4.170 -0.000 0.000 0.287 270 I C 0.427 176.529 176.117 -0.026 0.000 1.188 270 I CA -0.086 61.197 61.300 -0.028 0.000 1.427 270 I CB 0.499 38.478 38.000 -0.035 0.000 1.365 270 I HN 0.278 nan 8.210 nan 0.000 0.585 271 K N 4.510 124.892 120.400 -0.031 0.000 2.138 271 K HA 0.218 4.538 4.320 -0.000 0.000 0.251 271 K C 0.222 176.811 176.600 -0.017 0.000 1.015 271 K CA -0.362 55.908 56.287 -0.029 0.000 0.917 271 K CB 0.675 33.150 32.500 -0.042 0.000 1.021 271 K HN 0.714 nan 8.250 nan 0.000 0.485 272 T N -1.354 113.192 114.554 -0.014 0.000 2.726 272 T HA 0.100 4.450 4.350 -0.000 0.000 0.294 272 T C 1.100 175.797 174.700 -0.004 0.000 1.013 272 T CA -0.423 61.673 62.100 -0.007 0.000 0.996 272 T CB 0.673 69.538 68.868 -0.005 0.000 1.016 272 T HN 0.452 nan 8.240 nan 0.000 0.529 273 K N 0.588 120.988 120.400 -0.001 0.000 2.001 273 K HA -0.153 4.167 4.320 -0.000 0.000 0.214 273 K C 2.229 178.832 176.600 0.004 0.000 1.050 273 K CA 1.876 58.164 56.287 0.003 0.000 0.934 273 K CB -0.320 32.182 32.500 0.002 0.000 0.718 273 K HN 0.511 nan 8.250 nan 0.000 0.443 274 N N 0.113 118.815 118.700 0.003 0.000 2.381 274 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 274 N C 1.745 177.255 175.510 -0.000 0.000 1.025 274 N CA 1.114 54.166 53.050 0.004 0.000 0.888 274 N CB -0.415 38.075 38.487 0.005 0.000 0.965 274 N HN 0.333 nan 8.380 nan 0.000 0.438 275 G N 0.481 109.277 108.800 -0.007 0.000 2.422 275 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 275 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 275 G C 1.479 176.358 174.900 -0.035 0.000 1.140 275 G CA 0.215 45.305 45.100 -0.018 0.000 0.775 275 G HN 0.221 nan 8.290 nan 0.000 0.545 276 M N 0.756 120.341 119.600 -0.026 0.000 2.447 276 M HA 0.236 4.716 4.480 -0.000 0.000 0.264 276 M C 1.627 177.916 176.300 -0.019 0.000 1.095 276 M CA -0.063 55.216 55.300 -0.035 0.000 1.125 276 M CB 0.029 32.651 32.600 0.036 0.000 1.389 276 M HN 0.213 nan 8.290 nan 0.000 0.459 277 A N 1.436 124.256 122.820 -0.000 0.000 2.540 277 A HA 0.149 4.469 4.320 -0.000 0.000 0.239 277 A C 1.231 178.809 177.584 -0.009 0.000 1.061 277 A CA 0.909 52.950 52.037 0.007 0.000 0.758 277 A CB -0.448 18.561 19.000 0.016 0.000 0.991 277 A HN 0.771 nan 8.150 nan 0.000 0.502 278 T N -0.005 114.529 114.554 -0.033 0.000 4.210 278 T HA -0.188 4.162 4.350 -0.000 0.000 0.329 278 T C 0.532 175.152 174.700 -0.133 0.000 0.793 278 T CA 1.555 63.608 62.100 -0.078 0.000 1.935 278 T CB -2.095 66.896 68.868 0.204 0.000 1.918 278 T HN 0.714 nan 8.240 nan 0.000 0.875 279 M N 0.536 120.015 119.600 -0.202 0.000 2.561 279 M HA 0.162 4.642 4.480 -0.000 0.000 0.238 279 M C 2.101 178.184 176.300 -0.362 0.000 1.131 279 M CA 1.228 56.324 55.300 -0.341 0.000 1.046 279 M CB -0.416 31.813 32.600 -0.618 0.000 1.532 279 M HN 0.837 nan 8.290 nan 0.000 0.497 280 K N -0.897 119.329 120.400 -0.290 0.000 2.365 280 K HA -0.063 4.257 4.320 -0.000 0.000 0.199 280 K C 0.806 177.247 176.600 -0.265 0.000 1.045 280 K CA 1.049 57.188 56.287 -0.247 0.000 0.962 280 K CB -0.340 31.953 32.500 -0.345 0.000 0.759 280 K HN 0.075 nan 8.250 nan 0.000 0.469 281 F N 1.805 121.710 119.950 -0.076 0.000 2.769 281 F HA 0.107 4.634 4.527 -0.000 0.000 0.304 281 F C 0.897 176.655 175.800 -0.071 0.000 1.158 281 F CA -0.310 57.645 58.000 -0.075 0.000 1.398 281 F CB -0.219 38.744 39.000 -0.062 0.000 1.094 281 F HN 0.069 nan 8.300 nan 0.000 0.553 282 D N 0.278 120.699 120.400 0.035 0.000 2.349 282 D HA -0.043 4.597 4.640 -0.000 0.000 0.224 282 D C 1.539 177.847 176.300 0.014 0.000 1.029 282 D CA 0.649 54.653 54.000 0.006 0.000 0.879 282 D CB 0.039 40.796 40.800 -0.072 0.000 0.906 282 D HN 0.217 nan 8.370 nan 0.000 0.528 283 M N -2.751 116.850 119.600 0.001 0.000 2.412 283 M HA 0.320 4.800 4.480 -0.000 0.000 0.315 283 M C 1.305 177.610 176.300 0.009 0.000 1.092 283 M CA -0.357 54.927 55.300 -0.027 0.000 0.974 283 M CB -0.601 31.893 32.600 -0.177 0.000 1.437 283 M HN -0.191 nan 8.290 nan 0.000 0.524 284 C N 1.582 120.919 119.300 0.060 0.000 2.403 284 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 284 C C 2.859 177.900 174.990 0.084 0.000 1.248 284 C CA 1.846 60.905 59.018 0.069 0.000 1.762 284 C CB -1.555 26.221 27.740 0.060 0.000 2.014 284 C HN 0.848 nan 8.230 nan 0.000 0.486 285 G N 0.226 109.100 108.800 0.124 0.000 2.446 285 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 285 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 285 G C 1.879 176.875 174.900 0.160 0.000 1.168 285 G CA 1.176 46.387 45.100 0.185 0.000 0.771 285 G HN 0.638 nan 8.290 nan 0.000 0.551 286 A N 1.062 123.979 122.820 0.161 0.000 1.898 286 A HA 0.312 4.632 4.320 -0.000 0.000 0.216 286 A C 2.829 180.523 177.584 0.183 0.000 1.181 286 A CA 2.215 54.368 52.037 0.193 0.000 0.620 286 A CB -0.795 18.384 19.000 0.298 0.000 0.819 286 A HN 0.822 nan 8.150 nan 0.000 0.442 287 A N 0.387 123.306 122.820 0.165 0.000 1.902 287 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 287 A C 1.861 179.506 177.584 0.102 0.000 1.181 287 A CA 1.934 54.075 52.037 0.174 0.000 0.623 287 A CB -0.630 18.463 19.000 0.155 0.000 0.818 287 A HN 0.536 nan 8.150 nan 0.000 0.443 288 N N -0.060 118.653 118.700 0.020 0.000 2.270 288 N HA -0.071 4.669 4.740 -0.000 0.000 0.181 288 N C 1.547 176.950 175.510 -0.177 0.000 1.016 288 N CA 1.278 54.275 53.050 -0.090 0.000 0.870 288 N CB -0.490 37.910 38.487 -0.145 0.000 0.979 288 N HN 0.258 nan 8.380 nan 0.000 0.431 289 V N 0.435 120.265 119.914 -0.141 0.000 2.295 289 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 289 V C 2.311 178.388 176.094 -0.028 0.000 1.049 289 V CA 1.116 63.343 62.300 -0.123 0.000 1.024 289 V CB -0.480 31.345 31.823 0.004 0.000 0.648 289 V HN 0.068 nan 8.190 nan 0.000 0.447 290 V N 0.971 120.908 119.914 0.038 0.000 2.332 290 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 290 V C 2.634 178.813 176.094 0.141 0.000 1.055 290 V CA 2.267 64.642 62.300 0.125 0.000 1.038 290 V CB -1.487 30.409 31.823 0.121 0.000 0.651 290 V HN 0.619 nan 8.190 nan 0.000 0.450 291 G N -0.185 108.656 108.800 0.068 0.000 2.418 291 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 291 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 291 G C 1.583 176.480 174.900 -0.004 0.000 1.158 291 G CA 1.092 46.209 45.100 0.029 0.000 0.771 291 G HN 0.493 nan 8.290 nan 0.000 0.545 292 I N 0.518 121.053 120.570 -0.058 0.000 2.179 292 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 292 I C 2.649 178.738 176.117 -0.047 0.000 1.088 292 I CA 0.918 62.172 61.300 -0.075 0.000 1.357 292 I CB -0.182 37.736 38.000 -0.137 0.000 1.051 292 I HN 0.146 nan 8.210 nan 0.000 0.409 293 I N 0.394 120.945 120.570 -0.030 0.000 2.315 293 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 293 I C 2.579 178.663 176.117 -0.056 0.000 1.117 293 I CA 1.215 62.465 61.300 -0.084 0.000 1.404 293 I CB -0.325 37.613 38.000 -0.104 0.000 1.071 293 I HN 0.229 nan 8.210 nan 0.000 0.419 294 E N 1.667 121.956 120.200 0.148 0.000 2.085 294 E HA -0.234 4.115 4.350 -0.000 0.000 0.194 294 E C 2.108 178.741 176.600 0.054 0.000 0.994 294 E CA 1.871 58.410 56.400 0.231 0.000 0.801 294 E CB -0.156 29.689 29.700 0.242 0.000 0.743 294 E HN 0.425 nan 8.360 nan 0.000 0.453 295 A N 0.754 123.574 122.820 -0.000 0.000 1.873 295 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 295 A C 2.474 180.009 177.584 -0.081 0.000 1.186 295 A CA 1.944 53.962 52.037 -0.032 0.000 0.616 295 A CB -1.074 17.908 19.000 -0.030 0.000 0.823 295 A HN 0.410 nan 8.150 nan 0.000 0.442 296 A N 0.391 123.128 122.820 -0.138 0.000 1.933 296 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 296 A C 2.527 179.880 177.584 -0.385 0.000 1.175 296 A CA 2.484 54.395 52.037 -0.210 0.000 0.628 296 A CB -0.928 17.940 19.000 -0.219 0.000 0.814 296 A HN 0.965 nan 8.150 nan 0.000 0.444 297 S N -0.431 114.937 115.700 -0.554 0.000 2.371 297 S HA -0.107 4.363 4.470 -0.000 0.000 0.224 297 S C 1.992 176.513 174.600 -0.131 0.000 1.029 297 S CA 1.033 58.909 58.200 -0.540 0.000 0.978 297 S CB -0.407 62.533 63.200 -0.434 0.000 0.833 297 S HN 0.586 nan 8.310 nan 0.000 0.466 298 R N 0.638 121.092 120.500 -0.077 0.000 2.148 298 R HA 0.251 4.591 4.340 -0.000 0.000 0.223 298 R C 1.908 178.191 176.300 -0.028 0.000 1.088 298 R CA 1.013 57.097 56.100 -0.027 0.000 0.985 298 R CB -0.404 29.889 30.300 -0.012 0.000 0.880 298 R HN 0.426 nan 8.270 nan 0.000 0.451 299 L N 0.439 121.639 121.223 -0.038 0.000 2.554 299 L HA 0.025 4.365 4.340 -0.000 0.000 0.226 299 L C 0.210 177.080 176.870 -0.000 0.000 1.137 299 L CA 0.247 55.072 54.840 -0.025 0.000 0.863 299 L CB -0.126 41.917 42.059 -0.027 0.000 0.985 299 L HN 0.229 nan 8.230 nan 0.000 0.451 300 Q N 0.810 120.626 119.800 0.028 0.000 2.451 300 Q HA -0.186 4.154 4.340 -0.000 0.000 0.305 300 Q C -0.461 175.611 176.000 0.120 0.000 1.345 300 Q CA 0.248 56.116 55.803 0.108 0.000 0.854 300 Q CB -1.614 27.163 28.738 0.064 0.000 1.162 300 Q HN 0.461 nan 8.270 nan 0.000 0.440 301 L N 1.584 122.892 121.223 0.142 0.000 2.416 301 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 301 L C -1.263 175.688 176.870 0.135 0.000 1.161 301 L CA -1.633 53.271 54.840 0.108 0.000 0.845 301 L CB 0.073 42.179 42.059 0.078 0.000 1.119 301 L HN 0.020 nan 8.230 nan 0.000 0.464 302 P HA 0.075 nan 4.420 nan 0.000 0.226 302 P C -0.794 176.494 177.300 -0.019 0.000 1.783 302 P CA 0.101 63.198 63.100 -0.006 0.000 0.980 302 P CB -0.235 31.449 31.700 -0.026 0.000 1.967 303 V N -1.364 118.562 119.914 0.019 0.000 2.925 303 V HA 0.601 4.721 4.120 -0.000 0.000 0.311 303 V C -0.600 175.480 176.094 -0.023 0.000 1.104 303 V CA -1.179 61.129 62.300 0.014 0.000 0.954 303 V CB 2.437 34.294 31.823 0.056 0.000 1.022 303 V HN -0.079 nan 8.190 nan 0.000 0.427 304 N N 2.798 121.478 118.700 -0.033 0.000 2.426 304 N HA 0.724 5.464 4.740 -0.000 0.000 0.275 304 N C -0.923 174.607 175.510 0.033 0.000 1.019 304 N CA -0.157 52.860 53.050 -0.055 0.000 0.941 304 N CB 1.525 39.972 38.487 -0.066 0.000 1.123 304 N HN 0.790 nan 8.380 nan 0.000 0.486 305 I N 1.040 121.652 120.570 0.069 0.000 2.498 305 I HA 0.326 4.496 4.170 -0.000 0.000 0.290 305 I C -0.565 175.546 176.117 -0.010 0.000 1.032 305 I CA -1.095 60.254 61.300 0.080 0.000 1.073 305 I CB 2.404 40.496 38.000 0.154 0.000 1.251 305 I HN 0.025 nan 8.210 nan 0.000 0.426 306 V N 5.584 125.453 119.914 -0.075 0.000 2.409 306 V HA 0.787 4.907 4.120 -0.000 0.000 0.291 306 V C 0.024 176.046 176.094 -0.120 0.000 1.020 306 V CA -0.077 62.104 62.300 -0.198 0.000 0.848 306 V CB 1.507 33.041 31.823 -0.481 0.000 0.990 306 V HN 0.836 nan 8.190 nan 0.000 0.430 307 G N 5.540 114.283 108.800 -0.095 0.000 2.368 307 G HA2 0.598 4.558 3.960 -0.000 0.000 0.320 307 G HA3 0.598 4.558 3.960 -0.000 0.000 0.320 307 G C -1.215 173.685 174.900 -0.000 0.000 1.158 307 G CA -0.419 44.667 45.100 -0.023 0.000 0.912 307 G HN 0.809 nan 8.290 nan 0.000 0.456 308 V N 3.559 123.512 119.914 0.066 0.000 2.444 308 V HA 0.464 4.584 4.120 -0.000 0.000 0.294 308 V C -0.175 175.987 176.094 0.113 0.000 1.022 308 V CA -0.611 61.763 62.300 0.125 0.000 0.850 308 V CB 1.364 33.331 31.823 0.240 0.000 0.992 308 V HN 0.610 nan 8.190 nan 0.000 0.426 309 L N 4.251 125.514 121.223 0.066 0.000 2.325 309 L HA 0.793 5.133 4.340 -0.000 0.000 0.281 309 L C 0.282 177.181 176.870 0.048 0.000 1.004 309 L CA -0.697 54.182 54.840 0.065 0.000 0.823 309 L CB 1.844 43.910 42.059 0.011 0.000 1.236 309 L HN 0.691 nan 8.230 nan 0.000 0.415 310 A N 3.038 125.910 122.820 0.085 0.000 2.366 310 A HA 0.556 4.876 4.320 -0.000 0.000 0.322 310 A C -0.328 177.303 177.584 0.078 0.000 1.397 310 A CA -0.339 51.736 52.037 0.062 0.000 0.984 310 A CB 0.005 19.058 19.000 0.089 0.000 1.149 310 A HN 0.775 nan 8.150 nan 0.000 0.540 311 C N 2.505 121.842 119.300 0.062 0.000 2.303 311 C HA 0.917 5.377 4.460 -0.000 0.000 0.326 311 C C 0.711 175.737 174.990 0.060 0.000 1.285 311 C CA 0.014 59.092 59.018 0.100 0.000 1.675 311 C CB 0.011 27.848 27.740 0.162 0.000 2.289 311 C HN 1.099 nan 8.230 nan 0.000 0.512 312 A N 2.485 125.338 122.820 0.054 0.000 2.599 312 A HA 0.806 5.126 4.320 -0.000 0.000 0.290 312 A C -1.525 176.080 177.584 0.035 0.000 1.101 312 A CA -0.465 51.592 52.037 0.033 0.000 0.674 312 A CB 1.145 20.158 19.000 0.022 0.000 1.277 312 A HN 0.784 nan 8.150 nan 0.000 0.419 313 E N 0.837 121.057 120.200 0.033 0.000 2.185 313 E HA 0.291 4.641 4.350 -0.000 0.000 0.261 313 E C -1.204 175.422 176.600 0.043 0.000 0.879 313 E CA -0.634 55.800 56.400 0.058 0.000 0.756 313 E CB 0.901 30.651 29.700 0.084 0.000 1.152 313 E HN 0.540 nan 8.360 nan 0.000 0.416 314 N N 5.711 124.437 118.700 0.043 0.000 2.448 314 N HA 0.127 4.867 4.740 -0.000 0.000 0.250 314 N C -0.987 174.544 175.510 0.034 0.000 1.136 314 N CA 0.297 53.360 53.050 0.021 0.000 0.953 314 N CB 0.225 38.708 38.487 -0.006 0.000 1.251 314 N HN 0.499 nan 8.380 nan 0.000 0.502 315 M N 2.202 121.809 119.600 0.012 0.000 2.727 315 M HA 0.486 4.965 4.480 -0.000 0.000 0.300 315 M C -0.244 176.014 176.300 -0.069 0.000 1.246 315 M CA -0.778 54.515 55.300 -0.012 0.000 0.835 315 M CB 1.621 34.214 32.600 -0.013 0.000 1.755 315 M HN 0.143 nan 8.290 nan 0.000 0.473 316 I N 2.454 122.943 120.570 -0.135 0.000 2.354 316 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 316 I C -0.107 175.920 176.117 -0.151 0.000 0.989 316 I CA -0.358 60.780 61.300 -0.270 0.000 1.188 316 I CB 1.121 38.840 38.000 -0.469 0.000 1.342 316 I HN 0.710 nan 8.210 nan 0.000 0.457 317 N N 4.576 123.242 118.700 -0.057 0.000 3.364 317 N HA 0.074 4.814 4.740 -0.000 0.000 0.294 317 N C 0.241 175.829 175.510 0.129 0.000 1.562 317 N CA -0.757 52.303 53.050 0.018 0.000 0.862 317 N CB 0.453 38.940 38.487 0.000 0.000 1.691 317 N HN 0.587 nan 8.380 nan 0.000 0.572 318 E N -1.025 119.232 120.200 0.095 0.000 2.267 318 E HA -0.024 4.326 4.350 -0.000 0.000 0.197 318 E C 0.660 177.329 176.600 0.114 0.000 0.998 318 E CA 1.538 58.001 56.400 0.105 0.000 0.830 318 E CB -0.114 29.623 29.700 0.061 0.000 0.751 318 E HN 0.562 nan 8.360 nan 0.000 0.491 319 A N 1.181 124.073 122.820 0.119 0.000 2.630 319 A HA 0.229 4.549 4.320 -0.000 0.000 0.287 319 A C 0.451 178.122 177.584 0.145 0.000 1.040 319 A CA -0.120 51.985 52.037 0.115 0.000 0.971 319 A CB 0.354 19.407 19.000 0.088 0.000 1.241 319 A HN 0.243 nan 8.150 nan 0.000 0.558 320 S N 0.447 116.266 115.700 0.198 0.000 2.624 320 S HA 0.530 5.000 4.470 -0.000 0.000 0.263 320 S C 0.638 175.388 174.600 0.250 0.000 1.287 320 S CA -0.279 58.043 58.200 0.204 0.000 0.990 320 S CB 0.088 63.399 63.200 0.185 0.000 0.950 320 S HN 0.716 nan 8.310 nan 0.000 0.561 321 M N 0.337 120.071 119.600 0.224 0.000 2.252 321 M HA 0.396 4.876 4.480 -0.000 0.000 0.333 321 M C -0.742 175.702 176.300 0.241 0.000 1.111 321 M CA 0.249 55.712 55.300 0.271 0.000 1.140 321 M CB -0.171 32.569 32.600 0.233 0.000 1.538 321 M HN 0.582 nan 8.290 nan 0.000 0.448 322 K N 1.838 122.334 120.400 0.159 0.000 2.435 322 K HA 0.641 4.961 4.320 -0.000 0.000 0.251 322 K C -2.886 173.737 176.600 0.037 0.000 0.954 322 K CA -1.979 54.325 56.287 0.028 0.000 0.820 322 K CB 1.489 33.904 32.500 -0.142 0.000 1.292 322 K HN 0.335 nan 8.250 nan 0.000 0.436 323 P HA -0.027 nan 4.420 nan 0.000 0.265 323 P C -0.633 176.654 177.300 -0.023 0.000 1.193 323 P CA 0.781 63.882 63.100 0.001 0.000 0.765 323 P CB 0.329 32.023 31.700 -0.011 0.000 0.823 324 D N -0.803 119.586 120.400 -0.019 0.000 2.277 324 D HA -0.117 4.523 4.640 -0.000 0.000 0.167 324 D C -0.246 176.001 176.300 -0.089 0.000 0.974 324 D CA 0.888 54.862 54.000 -0.043 0.000 1.013 324 D CB -1.486 39.284 40.800 -0.050 0.000 1.086 324 D HN 0.401 nan 8.370 nan 0.000 0.498 325 D N 0.617 120.949 120.400 -0.112 0.000 2.455 325 D HA 0.274 4.914 4.640 -0.000 0.000 0.241 325 D C 0.201 176.251 176.300 -0.417 0.000 1.138 325 D CA 0.373 54.191 54.000 -0.304 0.000 0.877 325 D CB 1.004 41.633 40.800 -0.284 0.000 1.187 325 D HN -0.096 nan 8.370 nan 0.000 0.451 326 V N 3.776 123.345 119.914 -0.575 0.000 2.448 326 V HA 0.447 4.566 4.120 -0.000 0.000 0.295 326 V C -0.389 175.346 176.094 -0.600 0.000 1.025 326 V CA -0.681 61.377 62.300 -0.403 0.000 0.859 326 V CB 0.778 32.495 31.823 -0.178 0.000 0.988 326 V HN 0.306 nan 8.190 nan 0.000 0.431 327 F N 1.019 121.003 119.950 0.056 0.000 2.579 327 F HA 0.622 5.148 4.527 -0.000 0.000 0.324 327 F C 0.607 176.438 175.800 0.051 0.000 1.058 327 F CA -0.822 57.209 58.000 0.053 0.000 0.944 327 F CB 2.015 41.053 39.000 0.063 0.000 1.245 327 F HN 0.268 nan 8.300 nan 0.000 0.477 328 T N 1.919 116.619 114.554 0.243 0.000 2.743 328 T HA 0.634 4.984 4.350 -0.000 0.000 0.292 328 T C 0.190 174.950 174.700 0.100 0.000 0.972 328 T CA -0.596 61.581 62.100 0.128 0.000 0.967 328 T CB 0.928 69.840 68.868 0.074 0.000 0.926 328 T HN 0.752 nan 8.240 nan 0.000 0.459 329 A N 2.591 125.459 122.820 0.079 0.000 2.366 329 A HA 0.425 4.745 4.320 -0.000 0.000 0.250 329 A C 1.607 179.131 177.584 -0.101 0.000 1.099 329 A CA -0.474 51.574 52.037 0.018 0.000 0.794 329 A CB -0.052 19.009 19.000 0.100 0.000 1.056 329 A HN 0.837 nan 8.150 nan 0.000 0.499 330 L N 1.135 122.240 121.223 -0.197 0.000 2.131 330 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 330 L C 2.647 179.202 176.870 -0.526 0.000 1.092 330 L CA 2.774 57.423 54.840 -0.318 0.000 0.759 330 L CB -0.559 41.281 42.059 -0.366 0.000 0.903 330 L HN 0.853 nan 8.230 nan 0.000 0.435 331 S N -1.260 113.955 115.700 -0.809 0.000 2.447 331 S HA 0.090 4.560 4.470 -0.000 0.000 0.233 331 S C 1.724 176.052 174.600 -0.455 0.000 1.006 331 S CA 0.716 58.192 58.200 -1.206 0.000 0.957 331 S CB -0.427 62.279 63.200 -0.823 0.000 0.773 331 S HN 0.778 nan 8.310 nan 0.000 0.507 332 G N 0.374 109.030 108.800 -0.239 0.000 2.195 332 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.224 332 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.224 332 G C -0.215 174.649 174.900 -0.059 0.000 0.990 332 G CA 0.036 45.070 45.100 -0.109 0.000 0.639 332 G HN 0.603 nan 8.290 nan 0.000 0.514 333 E N 1.632 121.797 120.200 -0.058 0.000 2.366 333 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 333 E C 0.704 177.330 176.600 0.044 0.000 1.051 333 E CA 0.390 56.781 56.400 -0.014 0.000 0.884 333 E CB 0.681 30.359 29.700 -0.036 0.000 1.006 333 E HN 0.388 nan 8.360 nan 0.000 0.417 334 T N -1.234 113.345 114.554 0.042 0.000 2.845 334 T HA 0.436 4.786 4.350 -0.000 0.000 0.288 334 T C -0.172 174.596 174.700 0.112 0.000 0.980 334 T CA -0.887 61.256 62.100 0.072 0.000 1.071 334 T CB 0.848 69.739 68.868 0.038 0.000 0.941 334 T HN 0.105 nan 8.240 nan 0.000 0.487 335 V N 2.961 122.976 119.914 0.169 0.000 2.483 335 V HA 0.408 4.528 4.120 -0.000 0.000 0.297 335 V C 0.110 176.316 176.094 0.186 0.000 1.027 335 V CA -0.925 61.518 62.300 0.237 0.000 0.855 335 V CB 1.466 33.511 31.823 0.370 0.000 0.995 335 V HN 1.040 nan 8.190 nan 0.000 0.424 336 E N 3.691 123.981 120.200 0.150 0.000 2.194 336 E HA 0.428 4.778 4.350 -0.000 0.000 0.284 336 E C -1.135 175.542 176.600 0.128 0.000 1.035 336 E CA -0.434 56.022 56.400 0.093 0.000 0.836 336 E CB 1.595 31.335 29.700 0.066 0.000 1.070 336 E HN 0.506 nan 8.360 nan 0.000 0.401 337 V N 6.959 126.943 119.914 0.117 0.000 2.368 337 V HA 0.074 4.194 4.120 -0.000 0.000 0.266 337 V C 0.807 176.941 176.094 0.067 0.000 1.045 337 V CA -0.275 62.100 62.300 0.125 0.000 0.899 337 V CB 1.189 33.141 31.823 0.215 0.000 1.006 337 V HN 0.881 nan 8.190 nan 0.000 0.470 338 M N 2.878 122.509 119.600 0.052 0.000 2.367 338 M HA 0.294 4.774 4.480 -0.000 0.000 0.256 338 M C 0.396 176.669 176.300 -0.045 0.000 1.091 338 M CA 0.421 55.737 55.300 0.027 0.000 1.049 338 M CB -0.267 32.375 32.600 0.070 0.000 1.406 338 M HN 0.669 nan 8.290 nan 0.000 0.498 339 N N 0.279 118.922 118.700 -0.096 0.000 2.549 339 N HA 0.135 4.875 4.740 -0.000 0.000 0.290 339 N C 0.439 175.880 175.510 -0.114 0.000 1.122 339 N CA 0.170 53.090 53.050 -0.217 0.000 0.885 339 N CB 1.312 39.412 38.487 -0.646 0.000 1.455 339 N HN 0.063 nan 8.380 nan 0.000 0.521 340 T N -0.889 113.635 114.554 -0.049 0.000 3.072 340 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 340 T C 0.992 175.672 174.700 -0.033 0.000 1.127 340 T CA 0.785 62.884 62.100 -0.001 0.000 1.107 340 T CB 0.072 68.978 68.868 0.063 0.000 0.910 340 T HN 0.316 nan 8.240 nan 0.000 0.513 341 D N 1.766 122.122 120.400 -0.073 0.000 2.347 341 D HA 0.204 4.844 4.640 -0.000 0.000 0.213 341 D C 1.264 177.523 176.300 -0.069 0.000 0.985 341 D CA 0.211 54.167 54.000 -0.073 0.000 0.879 341 D CB -0.302 40.448 40.800 -0.083 0.000 0.919 341 D HN 0.547 nan 8.370 nan 0.000 0.526 342 A N 1.119 123.888 122.820 -0.086 0.000 3.197 342 A HA 0.108 4.428 4.320 -0.000 0.000 0.263 342 A C 1.469 179.017 177.584 -0.060 0.000 1.524 342 A CA -0.276 51.723 52.037 -0.062 0.000 1.176 342 A CB -0.347 18.615 19.000 -0.063 0.000 1.096 342 A HN 0.183 nan 8.150 nan 0.000 0.655 343 E N 0.131 120.309 120.200 -0.037 0.000 2.230 343 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 343 E C 1.532 178.128 176.600 -0.006 0.000 0.987 343 E CA 1.252 57.639 56.400 -0.023 0.000 0.841 343 E CB -0.808 28.882 29.700 -0.017 0.000 0.783 343 E HN 0.372 nan 8.360 nan 0.000 0.481 344 G N 2.880 111.684 108.800 0.007 0.000 2.421 344 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.216 344 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.216 344 G C 1.883 176.814 174.900 0.053 0.000 1.171 344 G CA 1.414 46.539 45.100 0.042 0.000 0.775 344 G HN 0.450 nan 8.290 nan 0.000 0.543 345 R N 0.304 120.817 120.500 0.022 0.000 2.152 345 R HA 0.100 4.440 4.340 -0.000 0.000 0.232 345 R C 2.294 178.669 176.300 0.125 0.000 1.117 345 R CA 1.086 57.218 56.100 0.053 0.000 0.981 345 R CB -0.625 29.636 30.300 -0.065 0.000 0.870 345 R HN 0.397 nan 8.270 nan 0.000 0.451 346 L N 1.577 122.825 121.223 0.041 0.000 2.044 346 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 346 L C 2.747 179.643 176.870 0.042 0.000 1.075 346 L CA 1.159 56.047 54.840 0.080 0.000 0.747 346 L CB -0.515 41.561 42.059 0.028 0.000 0.903 346 L HN 0.149 nan 8.230 nan 0.000 0.435 347 V N -2.559 117.381 119.914 0.043 0.000 2.515 347 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 347 V C 2.221 178.361 176.094 0.076 0.000 1.058 347 V CA 1.227 63.561 62.300 0.058 0.000 1.064 347 V CB -0.647 31.212 31.823 0.060 0.000 0.675 347 V HN 0.327 nan 8.190 nan 0.000 0.461 348 L N 0.700 121.972 121.223 0.082 0.000 2.093 348 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 348 L C 3.052 179.949 176.870 0.045 0.000 1.085 348 L CA 1.542 56.446 54.840 0.106 0.000 0.755 348 L CB -0.859 41.280 42.059 0.135 0.000 0.904 348 L HN 0.422 nan 8.230 nan 0.000 0.435 349 A N -0.021 122.737 122.820 -0.104 0.000 1.883 349 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 349 A C 1.949 179.288 177.584 -0.408 0.000 1.186 349 A CA 2.217 53.907 52.037 -0.578 0.000 0.624 349 A CB -0.586 17.728 19.000 -1.143 0.000 0.822 349 A HN 0.338 nan 8.150 nan 0.000 0.444 350 D N -0.333 119.969 120.400 -0.162 0.000 2.144 350 D HA 0.010 4.650 4.640 -0.000 0.000 0.200 350 D C 2.218 178.679 176.300 0.269 0.000 0.978 350 D CA 1.446 55.478 54.000 0.052 0.000 0.833 350 D CB -0.336 40.564 40.800 0.166 0.000 0.961 350 D HN 0.416 nan 8.370 nan 0.000 0.470 351 A N 0.251 123.221 122.820 0.249 0.000 1.897 351 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 351 A C 2.477 180.250 177.584 0.315 0.000 1.181 351 A CA 0.930 53.157 52.037 0.318 0.000 0.620 351 A CB -0.629 18.506 19.000 0.226 0.000 0.821 351 A HN 0.131 nan 8.150 nan 0.000 0.443 352 V N -1.314 118.743 119.914 0.239 0.000 2.295 352 V HA -0.222 3.897 4.120 -0.000 0.000 0.246 352 V C 2.261 178.504 176.094 0.248 0.000 1.049 352 V CA 2.098 64.528 62.300 0.216 0.000 1.024 352 V CB -0.866 31.114 31.823 0.261 0.000 0.648 352 V HN 0.621 nan 8.190 nan 0.000 0.447 353 F N -0.177 119.877 119.950 0.174 0.000 2.134 353 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 353 F C 2.288 178.183 175.800 0.158 0.000 1.097 353 F CA 1.978 60.078 58.000 0.166 0.000 1.264 353 F CB -0.424 38.683 39.000 0.179 0.000 1.001 353 F HN 0.268 nan 8.300 nan 0.000 0.479 354 Y N 0.535 120.957 120.300 0.203 0.000 2.242 354 Y HA -0.094 4.456 4.550 -0.000 0.000 0.291 354 Y C 2.293 178.303 175.900 0.183 0.000 1.137 354 Y CA 1.351 59.559 58.100 0.180 0.000 1.181 354 Y CB -0.878 37.808 38.460 0.376 0.000 0.989 354 Y HN 0.055 nan 8.280 nan 0.000 0.527 355 A N 0.173 123.085 122.820 0.152 0.000 1.972 355 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 355 A C 2.038 179.632 177.584 0.017 0.000 1.169 355 A CA 1.797 53.880 52.037 0.076 0.000 0.635 355 A CB -0.869 18.179 19.000 0.079 0.000 0.810 355 A HN 0.554 nan 8.150 nan 0.000 0.446 356 N N -0.125 118.528 118.700 -0.079 0.000 2.459 356 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 356 N C 1.748 177.134 175.510 -0.207 0.000 1.046 356 N CA 0.884 53.848 53.050 -0.143 0.000 0.904 356 N CB -0.202 38.167 38.487 -0.196 0.000 0.964 356 N HN 0.499 nan 8.380 nan 0.000 0.444 357 Q N -0.892 118.735 119.800 -0.288 0.000 2.170 357 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 357 Q C 0.929 176.733 176.000 -0.327 0.000 0.976 357 Q CA 0.995 56.584 55.803 -0.356 0.000 0.858 357 Q CB -0.326 28.134 28.738 -0.464 0.000 0.907 357 Q HN 0.619 nan 8.270 nan 0.000 0.433 358 Y N 1.174 121.331 120.300 -0.240 0.000 2.632 358 Y HA -0.038 4.512 4.550 -0.000 0.000 0.301 358 Y C 0.312 176.141 175.900 -0.119 0.000 1.172 358 Y CA 0.257 58.256 58.100 -0.168 0.000 1.328 358 Y CB -0.060 38.304 38.460 -0.159 0.000 1.016 358 Y HN 0.173 nan 8.280 nan 0.000 0.529 359 Q N -0.172 119.621 119.800 -0.012 0.000 2.453 359 Q HA -0.193 4.147 4.340 -0.000 0.000 0.350 359 Q C -2.621 173.383 176.000 0.007 0.000 1.447 359 Q CA -0.345 55.444 55.803 -0.025 0.000 0.968 359 Q CB -1.324 27.390 28.738 -0.040 0.000 1.175 359 Q HN 0.263 nan 8.270 nan 0.000 0.354 360 P HA 0.065 nan 4.420 nan 0.000 0.279 360 P C 0.538 177.850 177.300 0.020 0.000 1.252 360 P CA -0.219 62.894 63.100 0.020 0.000 0.811 360 P CB 1.065 32.772 31.700 0.011 0.000 1.035 361 S N 0.095 115.820 115.700 0.042 0.000 2.406 361 S HA 0.073 4.543 4.470 -0.000 0.000 0.228 361 S C 0.730 175.369 174.600 0.066 0.000 1.020 361 S CA 0.548 58.781 58.200 0.054 0.000 0.965 361 S CB -0.321 62.923 63.200 0.073 0.000 0.798 361 S HN 0.395 nan 8.310 nan 0.000 0.488 362 V N 0.410 120.366 119.914 0.071 0.000 3.048 362 V HA 0.550 4.670 4.120 -0.000 0.000 0.303 362 V C -1.998 174.096 176.094 -0.001 0.000 1.214 362 V CA -1.209 61.121 62.300 0.050 0.000 0.984 362 V CB 2.172 34.054 31.823 0.099 0.000 1.054 362 V HN 0.432 nan 8.190 nan 0.000 0.430 363 I N 6.257 126.774 120.570 -0.088 0.000 2.378 363 I HA 0.538 4.708 4.170 -0.000 0.000 0.291 363 I C -0.361 175.630 176.117 -0.209 0.000 0.992 363 I CA -0.395 60.786 61.300 -0.198 0.000 1.154 363 I CB 1.851 39.595 38.000 -0.426 0.000 1.315 363 I HN 0.465 nan 8.210 nan 0.000 0.448 364 M N 5.806 125.348 119.600 -0.096 0.000 2.190 364 M HA 0.305 4.785 4.480 -0.000 0.000 0.312 364 M C -1.294 174.943 176.300 -0.104 0.000 0.990 364 M CA -0.685 54.559 55.300 -0.094 0.000 0.927 364 M CB 1.844 34.448 32.600 0.008 0.000 1.571 364 M HN 0.531 nan 8.290 nan 0.000 0.427 365 D N 1.696 122.023 120.400 -0.122 0.000 2.198 365 D HA 0.667 5.307 4.640 -0.000 0.000 0.247 365 D C -1.395 174.791 176.300 -0.190 0.000 1.010 365 D CA -0.390 53.624 54.000 0.024 0.000 0.880 365 D CB 1.181 42.142 40.800 0.269 0.000 1.209 365 D HN 0.279 nan 8.370 nan 0.000 0.451 366 F N 0.981 121.098 119.950 0.279 0.000 2.507 366 F HA 0.719 5.246 4.527 -0.000 0.000 0.328 366 F C 0.022 175.939 175.800 0.196 0.000 1.136 366 F CA -0.745 57.397 58.000 0.236 0.000 0.930 366 F CB 2.307 41.401 39.000 0.156 0.000 1.166 366 F HN 0.686 nan 8.300 nan 0.000 0.436 367 A N 0.773 123.782 122.820 0.315 0.000 2.574 367 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 367 A C -0.518 177.181 177.584 0.191 0.000 1.062 367 A CA -0.880 51.305 52.037 0.248 0.000 0.686 367 A CB 1.083 20.247 19.000 0.273 0.000 1.285 367 A HN 0.700 nan 8.150 nan 0.000 0.403 368 T N 1.543 116.186 114.554 0.148 0.000 3.364 368 T HA 0.447 4.797 4.350 -0.000 0.000 0.323 368 T C 0.862 175.625 174.700 0.105 0.000 1.323 368 T CA -0.326 61.839 62.100 0.109 0.000 1.073 368 T CB -0.600 68.315 68.868 0.079 0.000 1.150 368 T HN 0.461 nan 8.240 nan 0.000 0.727 369 L N 1.731 123.036 121.223 0.135 0.000 2.115 369 L HA 0.188 4.528 4.340 -0.000 0.000 0.200 369 L C 1.012 177.942 176.870 0.099 0.000 1.094 369 L CA 0.593 55.513 54.840 0.133 0.000 0.769 369 L CB -0.213 41.966 42.059 0.200 0.000 0.931 369 L HN 0.510 nan 8.230 nan 0.000 0.455 370 T N -1.099 113.524 114.554 0.116 0.000 2.823 370 T HA 0.352 4.702 4.350 -0.000 0.000 0.279 370 T C 0.819 175.567 174.700 0.080 0.000 0.998 370 T CA -0.199 61.960 62.100 0.099 0.000 0.994 370 T CB 1.875 70.819 68.868 0.126 0.000 0.960 370 T HN 0.287 nan 8.240 nan 0.000 0.448 371 G N 1.082 109.918 108.800 0.060 0.000 2.422 371 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.218 371 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.218 371 G C 1.632 176.564 174.900 0.054 0.000 1.140 371 G CA 0.616 45.744 45.100 0.046 0.000 0.775 371 G HN 0.827 nan 8.290 nan 0.000 0.545 372 A N 1.141 124.002 122.820 0.068 0.000 1.972 372 A HA 0.291 4.611 4.320 -0.000 0.000 0.219 372 A C 2.754 180.392 177.584 0.090 0.000 1.169 372 A CA 2.016 54.096 52.037 0.072 0.000 0.635 372 A CB -0.582 18.465 19.000 0.078 0.000 0.810 372 A HN 0.683 nan 8.150 nan 0.000 0.446 373 A N 0.046 122.936 122.820 0.116 0.000 1.933 373 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 373 A C 2.072 179.702 177.584 0.077 0.000 1.175 373 A CA 1.476 53.591 52.037 0.130 0.000 0.628 373 A CB -0.552 18.553 19.000 0.174 0.000 0.814 373 A HN 0.511 nan 8.150 nan 0.000 0.444 374 I N -0.429 120.174 120.570 0.055 0.000 2.252 374 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 374 I C 2.250 178.381 176.117 0.023 0.000 1.102 374 I CA 0.971 62.287 61.300 0.027 0.000 1.385 374 I CB -0.322 37.687 38.000 0.016 0.000 1.064 374 I HN 0.134 nan 8.210 nan 0.000 0.414 375 V N 1.127 121.059 119.914 0.030 0.000 2.407 375 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 375 V C 2.686 178.793 176.094 0.021 0.000 1.055 375 V CA 1.930 64.244 62.300 0.023 0.000 1.049 375 V CB -1.074 30.765 31.823 0.026 0.000 0.662 375 V HN 0.482 nan 8.190 nan 0.000 0.455 376 A N -0.259 122.581 122.820 0.033 0.000 1.841 376 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 376 A C 2.037 179.624 177.584 0.005 0.000 1.195 376 A CA 1.708 53.761 52.037 0.027 0.000 0.611 376 A CB -0.321 18.710 19.000 0.052 0.000 0.835 376 A HN 0.501 nan 8.150 nan 0.000 0.443 377 L N -1.791 119.439 121.223 0.012 0.000 2.766 377 L HA 0.413 4.753 4.340 -0.000 0.000 0.242 377 L C 1.016 177.884 176.870 -0.003 0.000 1.136 377 L CA 0.215 55.053 54.840 -0.003 0.000 0.933 377 L CB -0.044 42.036 42.059 0.035 0.000 1.241 377 L HN 0.676 nan 8.230 nan 0.000 0.522 378 G N 0.811 109.611 108.800 -0.000 0.000 2.712 378 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.683 378 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.683 378 G C -0.203 174.689 174.900 -0.013 0.000 1.320 378 G CA -0.031 45.066 45.100 -0.005 0.000 0.847 378 G HN 0.213 nan 8.290 nan 0.000 0.553 379 D N -0.585 119.801 120.400 -0.024 0.000 2.317 379 D HA 0.052 4.692 4.640 -0.000 0.000 0.211 379 D C 1.814 178.061 176.300 -0.088 0.000 0.966 379 D CA 1.618 55.589 54.000 -0.048 0.000 0.876 379 D CB 0.157 40.932 40.800 -0.040 0.000 0.927 379 D HN 0.494 nan 8.370 nan 0.000 0.519 380 D N -1.035 119.327 120.400 -0.064 0.000 2.398 380 D HA 0.061 4.701 4.640 -0.000 0.000 0.210 380 D C -0.148 176.106 176.300 -0.076 0.000 1.094 380 D CA -0.027 53.924 54.000 -0.081 0.000 0.839 380 D CB 0.033 40.827 40.800 -0.011 0.000 0.963 380 D HN 0.051 nan 8.370 nan 0.000 0.506 381 K N 0.145 120.520 120.400 -0.042 0.000 2.318 381 K HA 0.743 5.063 4.320 -0.000 0.000 0.249 381 K C -0.900 175.706 176.600 0.010 0.000 0.942 381 K CA -1.017 55.312 56.287 0.070 0.000 0.808 381 K CB 2.680 35.315 32.500 0.225 0.000 1.189 381 K HN 0.016 nan 8.250 nan 0.000 0.428 382 A N 1.166 124.046 122.820 0.101 0.000 2.303 382 A HA 0.715 5.035 4.320 -0.000 0.000 0.317 382 A C -0.684 176.995 177.584 0.159 0.000 1.149 382 A CA -0.635 51.480 52.037 0.130 0.000 0.822 382 A CB 0.962 20.147 19.000 0.307 0.000 1.131 382 A HN 0.734 nan 8.150 nan 0.000 0.493 383 A N 1.099 123.990 122.820 0.117 0.000 2.274 383 A HA 0.686 5.006 4.320 -0.000 0.000 0.309 383 A C 0.236 177.766 177.584 -0.091 0.000 1.226 383 A CA 0.175 52.205 52.037 -0.011 0.000 0.853 383 A CB 0.276 19.291 19.000 0.026 0.000 1.146 383 A HN 2.020 nan 8.150 nan 0.000 0.518 384 A N 2.222 124.875 122.820 -0.278 0.000 2.330 384 A HA 0.843 5.163 4.320 -0.000 0.000 0.327 384 A C -1.073 176.164 177.584 -0.579 0.000 1.155 384 A CA -0.377 51.464 52.037 -0.327 0.000 0.803 384 A CB 0.462 19.375 19.000 -0.145 0.000 1.208 384 A HN 0.699 nan 8.150 nan 0.000 0.477 385 F N 0.744 120.566 119.950 -0.214 0.000 2.529 385 F HA 0.512 5.039 4.527 -0.000 0.000 0.320 385 F C 0.206 175.905 175.800 -0.168 0.000 1.118 385 F CA -0.545 57.387 58.000 -0.114 0.000 0.915 385 F CB 2.331 41.323 39.000 -0.013 0.000 1.161 385 F HN 0.706 nan 8.300 nan 0.000 0.445 386 E N 0.413 120.637 120.200 0.040 0.000 2.202 386 E HA 0.647 4.997 4.350 -0.000 0.000 0.272 386 E C -0.981 175.624 176.600 0.009 0.000 0.951 386 E CA -0.902 55.492 56.400 -0.010 0.000 0.813 386 E CB 2.041 31.723 29.700 -0.029 0.000 1.151 386 E HN 0.335 nan 8.360 nan 0.000 0.398 387 S N 2.808 118.507 115.700 -0.000 0.000 2.775 387 S HA 0.350 4.820 4.470 -0.000 0.000 0.277 387 S C -0.862 173.751 174.600 0.022 0.000 1.156 387 S CA -0.426 57.772 58.200 -0.003 0.000 1.081 387 S CB -0.932 62.240 63.200 -0.047 0.000 1.054 387 S HN 0.761 nan 8.310 nan 0.000 0.482 388 N N 1.987 120.695 118.700 0.013 0.000 2.741 388 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 388 N C -0.458 175.066 175.510 0.024 0.000 1.115 388 N CA 1.049 54.109 53.050 0.017 0.000 0.724 388 N CB -1.378 37.119 38.487 0.017 0.000 1.090 388 N HN 0.631 nan 8.380 nan 0.000 0.558 389 S N -2.101 113.611 115.700 0.020 0.000 2.598 389 S HA 0.286 4.756 4.470 -0.000 0.000 0.209 389 S C 0.558 175.163 174.600 0.009 0.000 1.029 389 S CA -0.872 57.340 58.200 0.019 0.000 1.172 389 S CB 1.002 64.212 63.200 0.015 0.000 1.427 389 S HN 0.267 nan 8.310 nan 0.000 0.418 390 K N 0.979 121.387 120.400 0.014 0.000 2.097 390 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 390 K C 1.543 178.156 176.600 0.021 0.000 1.049 390 K CA 1.740 58.035 56.287 0.012 0.000 0.933 390 K CB -0.183 32.326 32.500 0.015 0.000 0.717 390 K HN 0.431 nan 8.250 nan 0.000 0.442 391 V N 1.283 121.218 119.914 0.035 0.000 2.283 391 V HA -0.229 3.891 4.120 -0.000 0.000 0.243 391 V C 2.171 178.309 176.094 0.072 0.000 1.039 391 V CA 1.631 63.963 62.300 0.052 0.000 1.016 391 V CB -0.296 31.562 31.823 0.059 0.000 0.650 391 V HN 0.294 nan 8.190 nan 0.000 0.449 392 I N -0.344 120.274 120.570 0.080 0.000 2.286 392 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 392 I C 2.380 178.501 176.117 0.006 0.000 1.115 392 I CA 1.258 62.618 61.300 0.099 0.000 1.392 392 I CB -0.352 37.703 38.000 0.093 0.000 1.065 392 I HN 0.306 nan 8.210 nan 0.000 0.418 393 L N 1.147 122.358 121.223 -0.019 0.000 2.017 393 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 393 L C 2.070 178.938 176.870 -0.003 0.000 1.073 393 L CA 1.969 56.786 54.840 -0.038 0.000 0.745 393 L CB -0.844 41.182 42.059 -0.056 0.000 0.894 393 L HN 0.157 nan 8.230 nan 0.000 0.432 394 N N 0.128 118.838 118.700 0.017 0.000 2.149 394 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 394 N C 1.518 177.054 175.510 0.044 0.000 1.019 394 N CA 1.522 54.589 53.050 0.027 0.000 0.857 394 N CB -0.385 38.122 38.487 0.034 0.000 0.997 394 N HN 0.441 nan 8.380 nan 0.000 0.426 395 D N 0.103 120.550 120.400 0.078 0.000 2.117 395 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 395 D C 1.988 178.356 176.300 0.113 0.000 0.987 395 D CA 0.635 54.711 54.000 0.128 0.000 0.829 395 D CB -0.099 40.846 40.800 0.242 0.000 0.961 395 D HN 0.317 nan 8.370 nan 0.000 0.460 396 I N 0.536 121.134 120.570 0.047 0.000 2.353 396 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 396 I C 2.348 178.462 176.117 -0.004 0.000 1.119 396 I CA 0.459 61.759 61.300 0.000 0.000 1.417 396 I CB -0.025 37.936 38.000 -0.065 0.000 1.078 396 I HN -0.056 nan 8.210 nan 0.000 0.421 397 L N -0.107 121.110 121.223 -0.010 0.000 2.131 397 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 397 L C 2.660 179.493 176.870 -0.063 0.000 1.092 397 L CA 1.045 55.850 54.840 -0.060 0.000 0.759 397 L CB -0.560 41.465 42.059 -0.055 0.000 0.903 397 L HN 0.328 nan 8.230 nan 0.000 0.435 398 Q N 0.097 119.888 119.800 -0.015 0.000 2.049 398 Q HA -0.113 4.227 4.340 -0.000 0.000 0.198 398 Q C 2.375 178.366 176.000 -0.015 0.000 0.971 398 Q CA 1.543 57.343 55.803 -0.006 0.000 0.833 398 Q CB -0.128 28.623 28.738 0.021 0.000 0.896 398 Q HN 0.516 nan 8.270 nan 0.000 0.434 399 I N 1.023 121.596 120.570 0.004 0.000 2.163 399 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 399 I C 2.526 178.610 176.117 -0.056 0.000 1.085 399 I CA 1.542 62.839 61.300 -0.006 0.000 1.347 399 I CB -0.391 37.642 38.000 0.056 0.000 1.044 399 I HN 0.197 nan 8.210 nan 0.000 0.408 400 S N 0.363 116.020 115.700 -0.073 0.000 2.368 400 S HA -0.208 4.261 4.470 -0.000 0.000 0.225 400 S C 2.120 176.664 174.600 -0.093 0.000 1.030 400 S CA 1.396 59.527 58.200 -0.114 0.000 0.999 400 S CB -0.908 62.207 63.200 -0.142 0.000 0.844 400 S HN 0.561 nan 8.310 nan 0.000 0.459 401 S N 1.433 117.082 115.700 -0.085 0.000 2.474 401 S HA 0.010 4.480 4.470 -0.000 0.000 0.235 401 S C 1.546 176.139 174.600 -0.013 0.000 0.997 401 S CA 0.836 59.008 58.200 -0.046 0.000 0.949 401 S CB -0.500 62.673 63.200 -0.044 0.000 0.766 401 S HN 0.721 nan 8.310 nan 0.000 0.517 402 E N 0.724 120.896 120.200 -0.046 0.000 2.400 402 E HA 0.067 4.417 4.350 -0.000 0.000 0.195 402 E C 1.115 177.613 176.600 -0.169 0.000 1.012 402 E CA 0.697 57.050 56.400 -0.077 0.000 0.875 402 E CB 0.497 30.139 29.700 -0.098 0.000 0.859 402 E HN 0.634 nan 8.360 nan 0.000 0.498 403 V N -1.802 118.033 119.914 -0.131 0.000 3.043 403 V HA 0.229 4.348 4.120 -0.000 0.000 0.357 403 V C -0.182 176.001 176.094 0.149 0.000 1.372 403 V CA -0.114 62.107 62.300 -0.130 0.000 1.214 403 V CB -0.164 31.560 31.823 -0.164 0.000 1.224 403 V HN 0.073 nan 8.190 nan 0.000 0.507 404 D N 1.063 121.567 120.400 0.173 0.000 2.723 404 D HA -0.211 4.429 4.640 -0.000 0.000 0.236 404 D C 0.010 176.380 176.300 0.117 0.000 1.138 404 D CA 1.368 55.481 54.000 0.188 0.000 0.676 404 D CB -1.033 39.927 40.800 0.267 0.000 1.069 404 D HN 0.859 nan 8.370 nan 0.000 0.430 405 E N 0.365 120.578 120.200 0.021 0.000 2.220 405 E HA 0.275 4.625 4.350 -0.000 0.000 0.256 405 E C 0.032 176.670 176.600 0.062 0.000 0.881 405 E CA -0.710 55.661 56.400 -0.049 0.000 0.766 405 E CB 1.131 30.551 29.700 -0.466 0.000 1.187 405 E HN 0.276 nan 8.360 nan 0.000 0.419 406 M N 3.265 123.033 119.600 0.280 0.000 2.220 406 M HA 0.196 4.676 4.480 -0.000 0.000 0.343 406 M C -0.705 175.689 176.300 0.157 0.000 1.470 406 M CA -0.107 55.301 55.300 0.179 0.000 1.161 406 M CB 0.362 33.159 32.600 0.329 0.000 1.737 406 M HN 0.136 nan 8.290 nan 0.000 0.464 407 V N 4.995 124.776 119.914 -0.221 0.000 2.638 407 V HA 0.600 4.720 4.120 -0.000 0.000 0.306 407 V C -0.894 174.883 176.094 -0.528 0.000 1.052 407 V CA -0.667 61.554 62.300 -0.132 0.000 0.885 407 V CB 1.851 33.669 31.823 -0.008 0.000 0.999 407 V HN 0.590 nan 8.190 nan 0.000 0.424 408 F N 1.086 121.063 119.950 0.045 0.000 2.599 408 F HA 0.503 5.030 4.527 -0.000 0.000 0.311 408 F C 0.203 175.941 175.800 -0.103 0.000 1.076 408 F CA -0.729 57.262 58.000 -0.015 0.000 0.937 408 F CB 1.940 40.932 39.000 -0.013 0.000 1.282 408 F HN 0.477 nan 8.300 nan 0.000 0.460 409 E N 2.674 122.919 120.200 0.074 0.000 2.313 409 E HA 0.531 4.881 4.350 -0.000 0.000 0.276 409 E C -1.452 175.044 176.600 -0.173 0.000 1.031 409 E CA -0.253 56.081 56.400 -0.110 0.000 0.857 409 E CB 0.863 30.528 29.700 -0.059 0.000 1.040 409 E HN 0.544 nan 8.360 nan 0.000 0.408 410 L N 5.673 126.637 121.223 -0.432 0.000 2.341 410 L HA 0.558 4.898 4.340 -0.000 0.000 0.267 410 L C -2.201 174.590 176.870 -0.131 0.000 1.009 410 L CA -2.259 52.392 54.840 -0.315 0.000 0.819 410 L CB 2.029 43.843 42.059 -0.408 0.000 1.323 410 L HN 0.528 nan 8.230 nan 0.000 0.425 411 P HA 0.386 nan 4.420 nan 0.000 0.282 411 P C -1.082 176.358 177.300 0.234 0.000 1.259 411 P CA -0.375 62.803 63.100 0.129 0.000 0.826 411 P CB 1.456 33.203 31.700 0.078 0.000 1.064 412 I N 1.389 122.057 120.570 0.164 0.000 2.390 412 I HA 0.273 4.442 4.170 -0.000 0.000 0.283 412 I C 1.058 177.201 176.117 0.044 0.000 1.016 412 I CA -0.347 61.009 61.300 0.094 0.000 1.151 412 I CB 1.559 39.587 38.000 0.046 0.000 1.293 412 I HN 0.353 nan 8.210 nan 0.000 0.458 413 T N 1.866 116.441 114.554 0.035 0.000 2.889 413 T HA 0.579 4.929 4.350 -0.000 0.000 0.278 413 T C 1.289 175.990 174.700 0.001 0.000 0.995 413 T CA -0.100 62.013 62.100 0.021 0.000 0.966 413 T CB 1.764 70.651 68.868 0.031 0.000 1.237 413 T HN 0.473 nan 8.240 nan 0.000 0.591 414 A N 0.418 123.239 122.820 0.002 0.000 1.978 414 A HA -0.013 4.307 4.320 -0.000 0.000 0.220 414 A C 2.378 179.956 177.584 -0.011 0.000 1.170 414 A CA 2.348 54.380 52.037 -0.008 0.000 0.636 414 A CB -1.914 17.087 19.000 0.001 0.000 0.810 414 A HN 0.924 nan 8.150 nan 0.000 0.448 415 T N -0.017 114.543 114.554 0.009 0.000 2.652 415 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 415 T C 1.820 176.521 174.700 0.001 0.000 1.039 415 T CA 1.985 64.099 62.100 0.023 0.000 1.153 415 T CB -0.270 68.626 68.868 0.046 0.000 0.863 415 T HN 0.616 nan 8.240 nan 0.000 0.428 416 E N 0.517 120.712 120.200 -0.009 0.000 2.107 416 E HA 0.058 4.408 4.350 -0.000 0.000 0.191 416 E C 2.396 178.900 176.600 -0.159 0.000 0.982 416 E CA 0.635 57.004 56.400 -0.052 0.000 0.809 416 E CB -0.131 29.541 29.700 -0.046 0.000 0.756 416 E HN 0.297 nan 8.360 nan 0.000 0.459 417 R N -0.127 120.298 120.500 -0.125 0.000 2.120 417 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 417 R C 2.022 178.217 176.300 -0.176 0.000 1.123 417 R CA 1.189 57.203 56.100 -0.145 0.000 0.975 417 R CB -0.127 30.121 30.300 -0.086 0.000 0.866 417 R HN 0.167 nan 8.270 nan 0.000 0.446 418 A N 0.142 122.864 122.820 -0.163 0.000 1.935 418 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 418 A C 2.046 179.333 177.584 -0.496 0.000 1.178 418 A CA 1.241 53.145 52.037 -0.222 0.000 0.640 418 A CB -0.225 18.710 19.000 -0.109 0.000 0.825 418 A HN 0.386 nan 8.150 nan 0.000 0.447 419 S N 0.830 116.276 115.700 -0.424 0.000 2.453 419 S HA -0.096 4.374 4.470 -0.000 0.000 0.231 419 S C 1.743 176.287 174.600 -0.093 0.000 1.005 419 S CA 0.962 58.882 58.200 -0.466 0.000 0.949 419 S CB -0.949 62.303 63.200 0.087 0.000 0.774 419 S HN 0.781 nan 8.310 nan 0.000 0.510 420 I N -1.287 119.143 120.570 -0.233 0.000 2.916 420 I HA 0.125 4.295 4.170 -0.000 0.000 0.267 420 I C 1.618 177.685 176.117 -0.084 0.000 1.263 420 I CA 0.908 62.075 61.300 -0.221 0.000 1.471 420 I CB -0.312 37.404 38.000 -0.474 0.000 1.089 420 I HN 0.082 nan 8.210 nan 0.000 0.468 421 K N 0.053 120.350 120.400 -0.172 0.000 2.358 421 K HA 0.194 4.514 4.320 -0.000 0.000 0.197 421 K C -0.083 176.545 176.600 0.046 0.000 1.025 421 K CA -0.032 56.198 56.287 -0.095 0.000 1.104 421 K CB 0.009 32.429 32.500 -0.132 0.000 0.855 421 K HN 0.481 nan 8.250 nan 0.000 0.531 422 H N 0.751 119.866 119.070 0.074 0.000 3.220 422 H HA 0.103 4.659 4.556 -0.000 0.000 0.225 422 H C -0.366 175.001 175.328 0.064 0.000 1.869 422 H CA -0.446 55.641 56.048 0.064 0.000 1.428 422 H CB 0.218 30.024 29.762 0.072 0.000 1.792 422 H HN -0.077 nan 8.280 nan 0.000 0.595 423 S N 0.593 116.390 115.700 0.161 0.000 2.500 423 S HA 0.080 4.550 4.470 -0.000 0.000 0.301 423 S C 0.626 175.266 174.600 0.066 0.000 1.092 423 S CA -0.972 57.290 58.200 0.104 0.000 1.030 423 S CB 1.201 64.457 63.200 0.095 0.000 1.031 423 S HN 0.447 nan 8.310 nan 0.000 0.483 424 D N 3.253 123.678 120.400 0.042 0.000 2.347 424 D HA 0.103 4.742 4.640 -0.000 0.000 0.213 424 D C 1.151 177.461 176.300 0.016 0.000 0.985 424 D CA 0.598 54.611 54.000 0.022 0.000 0.879 424 D CB 0.365 41.171 40.800 0.010 0.000 0.919 424 D HN 0.607 nan 8.370 nan 0.000 0.526 425 I N -1.169 119.412 120.570 0.019 0.000 4.228 425 I HA 0.223 4.393 4.170 -0.000 0.000 0.298 425 I C 0.245 176.368 176.117 0.011 0.000 1.206 425 I CA -0.003 61.301 61.300 0.007 0.000 1.322 425 I CB 0.583 38.580 38.000 -0.005 0.000 1.411 425 I HN -0.193 nan 8.210 nan 0.000 0.454 426 A N 0.278 123.112 122.820 0.024 0.000 2.282 426 A HA 0.342 4.662 4.320 -0.000 0.000 0.324 426 A C 0.328 177.930 177.584 0.030 0.000 1.119 426 A CA -0.277 51.777 52.037 0.029 0.000 0.880 426 A CB 0.396 19.424 19.000 0.047 0.000 1.294 426 A HN 0.297 nan 8.150 nan 0.000 0.493 427 D N -0.628 119.784 120.400 0.020 0.000 2.117 427 D HA 0.021 4.661 4.640 -0.000 0.000 0.198 427 D C 0.270 176.559 176.300 -0.019 0.000 0.982 427 D CA 1.519 55.515 54.000 -0.008 0.000 0.828 427 D CB -0.052 40.732 40.800 -0.027 0.000 0.967 427 D HN 0.379 nan 8.370 nan 0.000 0.464 428 L N -0.352 120.891 121.223 0.032 0.000 2.350 428 L HA 0.505 4.845 4.340 -0.000 0.000 0.260 428 L C -0.692 176.305 176.870 0.212 0.000 1.015 428 L CA -0.910 53.977 54.840 0.078 0.000 0.821 428 L CB 3.237 45.314 42.059 0.031 0.000 1.370 428 L HN -0.310 nan 8.230 nan 0.000 0.416 429 V N 1.364 121.454 119.914 0.294 0.000 2.769 429 V HA 0.367 4.487 4.120 -0.000 0.000 0.312 429 V C 0.008 176.346 176.094 0.407 0.000 1.061 429 V CA -0.476 62.009 62.300 0.307 0.000 0.931 429 V CB 2.038 34.005 31.823 0.240 0.000 1.010 429 V HN 0.967 nan 8.190 nan 0.000 0.433 430 N N 4.199 123.015 118.700 0.194 0.000 2.336 430 N HA 0.086 4.826 4.740 -0.000 0.000 0.189 430 N C 0.043 175.613 175.510 0.101 0.000 1.113 430 N CA 0.175 53.161 53.050 -0.106 0.000 0.858 430 N CB 0.076 38.407 38.487 -0.261 0.000 0.970 430 N HN 0.809 nan 8.380 nan 0.000 0.471 431 H N -1.047 117.986 119.070 -0.061 0.000 3.038 431 H HA 0.247 4.803 4.556 -0.000 0.000 0.362 431 H C -1.613 173.373 175.328 -0.569 0.000 1.167 431 H CA -0.329 55.502 56.048 -0.362 0.000 1.197 431 H CB 2.453 32.099 29.762 -0.194 0.000 1.840 431 H HN 0.017 nan 8.280 nan 0.000 0.540 432 T N 2.222 115.929 114.554 -1.412 0.000 2.885 432 T HA 0.206 4.556 4.350 -0.000 0.000 0.285 432 T C 0.573 174.777 174.700 -0.827 0.000 1.019 432 T CA -0.642 60.889 62.100 -0.948 0.000 1.010 432 T CB 0.884 69.212 68.868 -0.901 0.000 1.022 432 T HN 0.672 nan 8.240 nan 0.000 0.466 433 N N 2.239 120.707 118.700 -0.386 0.000 2.422 433 N HA 0.121 4.861 4.740 -0.000 0.000 0.181 433 N C 1.052 176.464 175.510 -0.165 0.000 1.080 433 N CA 0.104 53.026 53.050 -0.214 0.000 0.893 433 N CB 0.114 38.552 38.487 -0.082 0.000 0.973 433 N HN 0.755 nan 8.380 nan 0.000 0.456 434 G N 0.270 108.964 108.800 -0.178 0.000 2.621 434 G HA2 0.175 4.135 3.960 -0.000 0.000 0.271 434 G HA3 0.175 4.135 3.960 -0.000 0.000 0.271 434 G C 0.388 175.225 174.900 -0.106 0.000 1.236 434 G CA -0.262 44.776 45.100 -0.104 0.000 0.958 434 G HN -0.025 nan 8.290 nan 0.000 0.512 435 Q N -1.238 118.534 119.800 -0.047 0.000 2.189 435 Q HA 0.472 4.812 4.340 -0.000 0.000 0.193 435 Q C 0.932 176.933 176.000 0.002 0.000 1.034 435 Q CA 0.241 56.030 55.803 -0.024 0.000 1.062 435 Q CB 0.555 29.292 28.738 -0.002 0.000 1.118 435 Q HN 1.407 nan 8.270 nan 0.000 0.569 436 G N 0.704 109.523 108.800 0.031 0.000 2.256 436 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.272 436 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.272 436 G C 0.668 175.622 174.900 0.090 0.000 1.076 436 G CA 0.756 45.900 45.100 0.073 0.000 0.882 436 G HN 0.522 nan 8.290 nan 0.000 0.497 437 K N -0.260 120.171 120.400 0.053 0.000 2.148 437 K HA 0.117 4.436 4.320 -0.000 0.000 0.204 437 K C 2.952 179.622 176.600 0.118 0.000 1.050 437 K CA 1.341 57.654 56.287 0.042 0.000 0.942 437 K CB -0.132 32.364 32.500 -0.007 0.000 0.724 437 K HN 0.587 nan 8.250 nan 0.000 0.446 438 A N 1.447 124.346 122.820 0.133 0.000 1.930 438 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 438 A C 2.073 179.684 177.584 0.046 0.000 1.175 438 A CA 1.143 53.275 52.037 0.159 0.000 0.627 438 A CB -0.543 18.628 19.000 0.284 0.000 0.815 438 A HN 0.146 nan 8.150 nan 0.000 0.443 439 L N -2.292 119.010 121.223 0.131 0.000 2.093 439 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 439 L C 2.480 179.330 176.870 -0.034 0.000 1.085 439 L CA 1.430 56.310 54.840 0.067 0.000 0.755 439 L CB -0.740 41.427 42.059 0.179 0.000 0.904 439 L HN 0.435 nan 8.230 nan 0.000 0.435 440 F N 1.460 121.364 119.950 -0.077 0.000 2.095 440 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 440 F C 2.541 178.290 175.800 -0.085 0.000 1.104 440 F CA 1.420 59.377 58.000 -0.072 0.000 1.232 440 F CB -0.239 38.722 39.000 -0.066 0.000 0.987 440 F HN -0.009 nan 8.300 nan 0.000 0.475 441 A N 0.342 123.240 122.820 0.130 0.000 1.908 441 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 441 A C 2.393 179.820 177.584 -0.261 0.000 1.181 441 A CA 1.950 53.987 52.037 0.001 0.000 0.627 441 A CB -1.601 17.413 19.000 0.023 0.000 0.818 441 A HN 0.531 nan 8.150 nan 0.000 0.445 442 A N -0.941 121.578 122.820 -0.502 0.000 1.902 442 A HA -0.094 4.225 4.320 -0.000 0.000 0.217 442 A C 2.483 179.784 177.584 -0.472 0.000 1.181 442 A CA 2.135 53.710 52.037 -0.770 0.000 0.623 442 A CB -0.980 17.222 19.000 -1.330 0.000 0.818 442 A HN 0.576 nan 8.150 nan 0.000 0.443 443 S N -1.633 113.856 115.700 -0.353 0.000 2.382 443 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 443 S C 1.745 176.205 174.600 -0.232 0.000 1.027 443 S CA 1.607 59.641 58.200 -0.278 0.000 0.991 443 S CB -0.523 62.495 63.200 -0.303 0.000 0.823 443 S HN 0.548 nan 8.310 nan 0.000 0.469 444 F N 1.708 121.427 119.950 -0.386 0.000 2.102 444 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 444 F C 2.134 177.957 175.800 0.039 0.000 1.105 444 F CA 1.627 59.498 58.000 -0.214 0.000 1.239 444 F CB -0.453 38.422 39.000 -0.208 0.000 0.991 444 F HN 0.055 nan 8.300 nan 0.000 0.474 445 V N 0.036 120.004 119.914 0.091 0.000 2.307 445 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 445 V C 2.468 178.571 176.094 0.016 0.000 1.045 445 V CA 2.301 64.629 62.300 0.047 0.000 1.024 445 V CB -1.353 30.354 31.823 -0.193 0.000 0.651 445 V HN 0.593 nan 8.190 nan 0.000 0.449 446 T N -2.377 112.029 114.554 -0.246 0.000 3.072 446 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 446 T C 1.674 176.330 174.700 -0.074 0.000 1.127 446 T CA 1.401 63.283 62.100 -0.363 0.000 1.107 446 T CB -0.589 68.002 68.868 -0.461 0.000 0.910 446 T HN 0.658 nan 8.240 nan 0.000 0.513 447 H N 0.559 119.540 119.070 -0.148 0.000 2.421 447 H HA 0.068 4.624 4.556 -0.000 0.000 0.298 447 H C 1.116 176.298 175.328 -0.242 0.000 1.087 447 H CA 1.268 57.156 56.048 -0.266 0.000 1.330 447 H CB -0.530 28.932 29.762 -0.499 0.000 1.388 447 H HN 0.466 nan 8.280 nan 0.000 0.526 448 F N 0.026 119.938 119.950 -0.064 0.000 2.811 448 F HA 0.041 4.567 4.527 -0.000 0.000 0.301 448 F C 2.326 178.194 175.800 0.113 0.000 1.151 448 F CA 0.704 58.723 58.000 0.031 0.000 1.412 448 F CB 0.077 39.148 39.000 0.118 0.000 1.113 448 F HN 0.276 nan 8.300 nan 0.000 0.579 449 S N -1.492 114.335 115.700 0.212 0.000 2.524 449 S HA 0.434 4.904 4.470 -0.000 0.000 0.216 449 S C 1.665 176.281 174.600 0.028 0.000 0.987 449 S CA 0.243 58.535 58.200 0.155 0.000 0.909 449 S CB -0.358 63.023 63.200 0.302 0.000 0.781 449 S HN 0.504 nan 8.310 nan 0.000 0.521 450 G N 2.215 110.982 108.800 -0.055 0.000 2.536 450 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 450 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 450 G C 0.370 175.232 174.900 -0.062 0.000 1.152 450 G CA 0.435 45.475 45.100 -0.100 0.000 0.970 450 G HN 0.386 nan 8.290 nan 0.000 0.549 451 Q N 1.181 120.955 119.800 -0.043 0.000 2.319 451 Q HA 0.202 4.542 4.340 -0.000 0.000 0.202 451 Q C 1.049 177.046 176.000 -0.005 0.000 0.896 451 Q CA 0.789 56.577 55.803 -0.025 0.000 0.942 451 Q CB 0.199 28.921 28.738 -0.028 0.000 1.083 451 Q HN 0.601 nan 8.270 nan 0.000 0.510 452 T N 3.890 118.443 114.554 -0.002 0.000 2.902 452 T HA 0.112 4.462 4.350 -0.000 0.000 0.301 452 T C -2.435 172.286 174.700 0.035 0.000 1.012 452 T CA -0.843 61.261 62.100 0.006 0.000 1.151 452 T CB 0.491 69.351 68.868 -0.013 0.000 0.946 452 T HN -0.008 nan 8.240 nan 0.000 0.542 453 P HA 0.023 nan 4.420 nan 0.000 0.258 453 P C -0.628 176.714 177.300 0.070 0.000 1.172 453 P CA 0.537 63.666 63.100 0.049 0.000 0.762 453 P CB 0.065 31.791 31.700 0.042 0.000 0.764 454 H N 3.162 122.215 119.070 -0.028 0.000 2.782 454 H HA 0.555 5.111 4.556 -0.000 0.000 0.347 454 H C -0.841 174.437 175.328 -0.085 0.000 1.038 454 H CA -0.890 55.134 56.048 -0.040 0.000 1.255 454 H CB 0.804 30.554 29.762 -0.019 0.000 1.623 454 H HN 0.231 nan 8.280 nan 0.000 0.525 455 I N 4.263 124.934 120.570 0.170 0.000 2.406 455 I HA 0.142 4.312 4.170 -0.000 0.000 0.290 455 I C -0.663 175.354 176.117 -0.166 0.000 0.999 455 I CA -0.712 60.508 61.300 -0.133 0.000 1.124 455 I CB 1.505 39.257 38.000 -0.413 0.000 1.289 455 I HN 0.628 nan 8.210 nan 0.000 0.441 456 H N 6.494 125.373 119.070 -0.318 0.000 2.476 456 H HA 0.500 5.055 4.556 -0.000 0.000 0.328 456 H C -1.690 173.456 175.328 -0.305 0.000 1.073 456 H CA -0.547 55.367 56.048 -0.222 0.000 1.229 456 H CB 0.794 30.476 29.762 -0.134 0.000 1.432 456 H HN 0.289 nan 8.280 nan 0.000 0.477 457 F N 3.805 123.467 119.950 -0.480 0.000 2.347 457 F HA 0.176 4.703 4.527 -0.000 0.000 0.366 457 F C 0.123 175.704 175.800 -0.365 0.000 1.107 457 F CA -0.894 56.901 58.000 -0.342 0.000 1.058 457 F CB 1.010 39.873 39.000 -0.229 0.000 1.236 457 F HN 0.552 nan 8.300 nan 0.000 0.456 458 D N 5.124 125.467 120.400 -0.095 0.000 2.393 458 D HA 0.191 4.831 4.640 -0.000 0.000 0.232 458 D C 0.534 176.913 176.300 0.132 0.000 1.192 458 D CA -0.020 54.012 54.000 0.053 0.000 0.882 458 D CB 0.594 41.529 40.800 0.226 0.000 1.038 458 D HN 0.595 nan 8.370 nan 0.000 0.499 459 I N 0.706 121.357 120.570 0.135 0.000 3.805 459 I HA 0.377 4.547 4.170 -0.000 0.000 0.337 459 I C 1.439 177.570 176.117 0.023 0.000 1.539 459 I CA -0.675 60.677 61.300 0.086 0.000 1.176 459 I CB 0.668 38.769 38.000 0.168 0.000 1.248 459 I HN 0.156 nan 8.210 nan 0.000 0.437 460 A N 1.720 124.566 122.820 0.043 0.000 1.940 460 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 460 A C 2.198 179.768 177.584 -0.024 0.000 1.176 460 A CA 2.045 54.099 52.037 0.027 0.000 0.631 460 A CB -1.028 18.003 19.000 0.052 0.000 0.814 460 A HN 0.589 nan 8.150 nan 0.000 0.446 461 G N -0.374 108.392 108.800 -0.057 0.000 2.518 461 G HA2 0.006 3.966 3.960 -0.000 0.000 0.213 461 G HA3 0.006 3.966 3.960 -0.000 0.000 0.213 461 G C -0.293 174.487 174.900 -0.199 0.000 1.226 461 G CA 0.974 46.012 45.100 -0.103 0.000 0.822 461 G HN 0.523 nan 8.290 nan 0.000 0.546 462 P HA 0.150 nan 4.420 nan 0.000 0.241 462 P C 1.542 178.543 177.300 -0.498 0.000 1.191 462 P CA 1.156 63.869 63.100 -0.644 0.000 0.771 462 P CB 0.247 31.052 31.700 -1.491 0.000 0.929 463 A N 0.280 122.938 122.820 -0.269 0.000 2.067 463 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 463 A C 1.210 178.682 177.584 -0.186 0.000 1.158 463 A CA 1.483 53.449 52.037 -0.118 0.000 0.661 463 A CB -1.095 17.877 19.000 -0.046 0.000 0.801 463 A HN 0.393 nan 8.150 nan 0.000 0.452 464 T N -4.437 109.979 114.554 -0.229 0.000 2.906 464 T HA 0.577 4.927 4.350 -0.000 0.000 0.295 464 T C -0.625 173.953 174.700 -0.203 0.000 1.061 464 T CA -0.171 61.747 62.100 -0.304 0.000 1.000 464 T CB 1.839 70.461 68.868 -0.411 0.000 1.103 464 T HN 0.084 nan 8.240 nan 0.000 0.486 465 T N 0.886 115.332 114.554 -0.180 0.000 2.900 465 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 465 T C 0.217 174.871 174.700 -0.076 0.000 1.044 465 T CA -0.736 61.298 62.100 -0.110 0.000 0.995 465 T CB 0.994 69.808 68.868 -0.090 0.000 1.072 465 T HN 0.776 nan 8.240 nan 0.000 0.473 466 N N 2.568 121.242 118.700 -0.043 0.000 2.235 466 N HA 0.182 4.922 4.740 -0.000 0.000 0.209 466 N C -0.344 175.164 175.510 -0.003 0.000 1.122 466 N CA -0.346 52.697 53.050 -0.012 0.000 0.845 466 N CB 0.134 38.621 38.487 -0.000 0.000 1.004 466 N HN 0.382 nan 8.380 nan 0.000 0.499 467 K N 0.365 120.757 120.400 -0.013 0.000 2.482 467 K HA 0.685 5.005 4.320 -0.000 0.000 0.251 467 K C -1.218 175.376 176.600 -0.009 0.000 0.936 467 K CA -0.598 55.686 56.287 -0.005 0.000 0.791 467 K CB 2.017 34.511 32.500 -0.009 0.000 1.213 467 K HN 0.105 nan 8.250 nan 0.000 0.428 468 A N 2.373 125.199 122.820 0.011 0.000 2.407 468 A HA 0.582 4.902 4.320 -0.000 0.000 0.248 468 A C -0.238 177.350 177.584 0.007 0.000 1.082 468 A CA 0.420 52.469 52.037 0.021 0.000 0.785 468 A CB 0.048 19.078 19.000 0.050 0.000 1.020 468 A HN 0.956 nan 8.150 nan 0.000 0.489 469 S N 0.197 115.889 115.700 -0.014 0.000 2.790 469 S HA 0.457 4.927 4.470 -0.000 0.000 0.292 469 S C 0.476 175.072 174.600 -0.006 0.000 1.197 469 S CA 0.114 58.271 58.200 -0.071 0.000 0.851 469 S CB -0.171 62.824 63.200 -0.343 0.000 1.217 469 S HN 1.298 nan 8.310 nan 0.000 0.526 470 Y N 0.550 120.908 120.300 0.097 0.000 2.569 470 Y HA 0.304 4.853 4.550 -0.000 0.000 0.293 470 Y C 1.265 177.193 175.900 0.047 0.000 1.144 470 Y CA 0.947 59.044 58.100 -0.005 0.000 1.321 470 Y CB -1.005 37.270 38.460 -0.309 0.000 0.982 470 Y HN 0.453 nan 8.280 nan 0.000 0.558 471 N N 0.613 119.246 118.700 -0.112 0.000 2.336 471 N HA 0.314 5.054 4.740 -0.000 0.000 0.189 471 N C 0.632 176.169 175.510 0.046 0.000 1.113 471 N CA 0.932 53.987 53.050 0.010 0.000 0.858 471 N CB 0.819 39.255 38.487 -0.084 0.000 0.970 471 N HN 0.637 nan 8.380 nan 0.000 0.471 472 G N 0.300 109.139 108.800 0.065 0.000 2.343 472 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.465 472 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.465 472 G C -3.072 171.885 174.900 0.096 0.000 1.282 472 G CA -0.945 44.226 45.100 0.118 0.000 0.996 472 G HN -0.056 nan 8.290 nan 0.000 0.521 473 P HA 0.334 nan 4.420 nan 0.000 0.279 473 P C -0.166 177.180 177.300 0.077 0.000 1.282 473 P CA -0.348 62.820 63.100 0.113 0.000 0.788 473 P CB 0.552 32.340 31.700 0.146 0.000 1.139 474 K N -0.309 120.129 120.400 0.063 0.000 2.518 474 K HA 0.355 4.675 4.320 -0.000 0.000 0.276 474 K C 0.943 177.557 176.600 0.023 0.000 0.974 474 K CA 1.309 57.615 56.287 0.032 0.000 0.986 474 K CB -0.586 31.944 32.500 0.050 0.000 0.901 474 K HN 0.903 nan 8.250 nan 0.000 0.497 475 G N 1.964 110.716 108.800 -0.081 0.000 2.337 475 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.197 475 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.197 475 G C -2.941 171.713 174.900 -0.411 0.000 1.238 475 G CA -1.064 43.887 45.100 -0.248 0.000 1.119 475 G HN 0.459 nan 8.290 nan 0.000 0.514 476 P HA 0.181 nan 4.420 nan 0.000 0.268 476 P C 0.881 178.051 177.300 -0.217 0.000 1.204 476 P CA 1.272 64.134 63.100 -0.396 0.000 0.768 476 P CB 0.980 32.508 31.700 -0.286 0.000 0.842 477 T N -1.655 112.811 114.554 -0.146 0.000 3.037 477 T HA 0.237 4.587 4.350 -0.000 0.000 0.252 477 T C 1.319 176.000 174.700 -0.032 0.000 1.073 477 T CA 0.641 62.708 62.100 -0.054 0.000 1.091 477 T CB -0.771 68.123 68.868 0.043 0.000 0.935 477 T HN 0.633 nan 8.240 nan 0.000 0.488 478 G N 1.340 110.116 108.800 -0.039 0.000 2.176 478 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 478 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 478 G C -0.143 174.755 174.900 -0.004 0.000 1.024 478 G CA -0.156 44.918 45.100 -0.044 0.000 0.755 478 G HN 0.607 nan 8.290 nan 0.000 0.507 479 F N 0.178 120.071 119.950 -0.095 0.000 2.602 479 F HA 0.377 4.904 4.527 -0.000 0.000 0.367 479 F C 1.713 177.450 175.800 -0.105 0.000 1.126 479 F CA 1.432 59.386 58.000 -0.077 0.000 1.321 479 F CB 0.372 39.340 39.000 -0.052 0.000 1.094 479 F HN 0.278 nan 8.300 nan 0.000 0.594 480 M N 2.492 121.771 119.600 -0.536 0.000 2.957 480 M HA -0.311 4.169 4.480 -0.000 0.000 0.196 480 M C 1.327 177.429 176.300 -0.331 0.000 0.616 480 M CA 1.303 56.359 55.300 -0.408 0.000 0.750 480 M CB -2.110 30.365 32.600 -0.209 0.000 2.689 480 M HN 0.686 nan 8.290 nan 0.000 0.285 481 I N 0.567 120.974 120.570 -0.273 0.000 2.151 481 I HA -0.228 3.941 4.170 -0.000 0.000 0.243 481 I C -0.545 175.481 176.117 -0.151 0.000 1.080 481 I CA 2.306 63.483 61.300 -0.205 0.000 1.339 481 I CB -1.425 36.485 38.000 -0.151 0.000 1.039 481 I HN 0.249 nan 8.210 nan 0.000 0.409 482 P HA -0.130 nan 4.420 nan 0.000 0.215 482 P C 1.676 178.915 177.300 -0.101 0.000 1.153 482 P CA 1.607 64.647 63.100 -0.100 0.000 0.853 482 P CB -0.130 31.517 31.700 -0.088 0.000 0.788 483 T N -0.203 114.254 114.554 -0.162 0.000 2.674 483 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 483 T C 1.713 176.400 174.700 -0.022 0.000 1.039 483 T CA 1.081 63.107 62.100 -0.124 0.000 1.150 483 T CB -0.690 68.049 68.868 -0.215 0.000 0.864 483 T HN -0.052 nan 8.240 nan 0.000 0.427 484 I N 1.118 121.662 120.570 -0.044 0.000 2.252 484 I HA -0.070 4.100 4.170 -0.000 0.000 0.245 484 I C 2.578 178.795 176.117 0.167 0.000 1.102 484 I CA 0.869 62.220 61.300 0.086 0.000 1.385 484 I CB -1.523 36.489 38.000 0.020 0.000 1.064 484 I HN 0.109 nan 8.210 nan 0.000 0.414 485 V N 0.842 120.788 119.914 0.053 0.000 2.287 485 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 485 V C 2.664 178.793 176.094 0.058 0.000 1.053 485 V CA 1.989 64.316 62.300 0.044 0.000 1.027 485 V CB -0.742 31.078 31.823 -0.005 0.000 0.646 485 V HN 0.378 nan 8.190 nan 0.000 0.447 486 Q N -0.891 118.939 119.800 0.051 0.000 2.124 486 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 486 Q C 1.848 177.902 176.000 0.091 0.000 0.977 486 Q CA 2.360 58.188 55.803 0.042 0.000 0.850 486 Q CB -0.557 28.185 28.738 0.006 0.000 0.901 486 Q HN 0.744 nan 8.270 nan 0.000 0.429 487 W N -0.096 121.190 121.300 -0.023 0.000 2.381 487 W HA -0.078 4.581 4.660 -0.000 0.000 0.301 487 W C 1.365 177.893 176.519 0.014 0.000 1.205 487 W CA 1.320 58.666 57.345 0.002 0.000 1.285 487 W CB -0.186 29.287 29.460 0.022 0.000 1.133 487 W HN 0.190 nan 8.180 nan 0.000 0.521 488 L N 0.708 121.974 121.223 0.072 0.000 2.131 488 L HA -0.194 4.145 4.340 -0.000 0.000 0.210 488 L C 2.357 179.131 176.870 -0.161 0.000 1.092 488 L CA 1.426 56.201 54.840 -0.108 0.000 0.759 488 L CB -0.750 41.357 42.059 0.079 0.000 0.903 488 L HN -0.088 nan 8.230 nan 0.000 0.435 489 K N -0.171 120.174 120.400 -0.091 0.000 2.360 489 K HA -0.159 4.161 4.320 -0.000 0.000 0.201 489 K C 1.482 178.009 176.600 -0.121 0.000 1.046 489 K CA 0.916 57.156 56.287 -0.078 0.000 0.945 489 K CB 0.030 32.510 32.500 -0.034 0.000 0.750 489 K HN 0.434 nan 8.250 nan 0.000 0.464 490 Q N -0.022 119.655 119.800 -0.205 0.000 2.220 490 Q HA 0.064 4.403 4.340 -0.000 0.000 0.205 490 Q C -0.049 175.780 176.000 -0.285 0.000 0.865 490 Q CA -0.097 55.579 55.803 -0.212 0.000 0.960 490 Q CB 0.717 29.342 28.738 -0.189 0.000 1.097 490 Q HN 0.146 nan 8.270 nan 0.000 0.493 491 Q N 0.000 119.603 119.800 -0.329 0.000 2.315 491 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 491 Q CA 0.000 55.613 55.803 -0.316 0.000 1.022 491 Q CB 0.000 28.490 28.738 -0.413 0.000 1.108 491 Q HN 0.000 nan 8.270 nan 0.000 0.481