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 2wrf_1_B DATA FIRST_RESID 7 DATA SEQUENCE IcVGYHSNNS TEKVDTILER NVTVTHAQDI LEKTHNGKLc KLNGIPPLEL DATA SEQUENCE GDcSIAGWLL GNPEcDRLLT VPEWSYIMEK ENPRNGLcYP GSFNDYEELK DATA SEQUENCE HLISSVTHFE KVKILPKDRW TQHTTTGGSQ GcAVFDNPSF FRNMVWLTKK DATA SEQUENCE GSNYPVAKGS YNNTSGEQML IIWGVHHPND ETEQRTLYQN VGAYVSVGTS DATA SEQUENCE TLNKRSLPEI ATRPEVNGQG GRMEFSWTIL DIWDTINFES TGNLIAPEYG DATA SEQUENCE FKISKRGSSG IMKTEGTLEN cETKcQTPLG AINTTLPFHN IHPLTIGEcP DATA SEQUENCE KYVKSERLVL ATGLRNVPQX XXXGLFGAIA GFIEGGWQGM VDGWYGYHHS DATA SEQUENCE NDQGSGYAAD KESTQKAFDG ITNKVNSVIE KMNTQFEAVG KEFSNLEKRL DATA SEQUENCE ENLNKKMEDG FLDVWTYNAE LLVLMENEMT LDFHDSNVKN LYDKVRMQLR DATA SEQUENCE DNVKELGNGc FEFYHKcDDE cMNSVKNGTY DYSKYEEESK 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.399 176.117 0.470 0.000 1.063 7 I CA 0.000 61.509 61.300 0.349 0.000 1.566 7 I CB 0.000 38.133 38.000 0.221 0.000 1.214 8 c N 6.476 125.371 118.600 0.492 0.000 2.379 8 c HA 0.657 5.227 4.570 -0.000 0.000 0.323 8 c C -0.067 174.436 174.090 0.687 0.000 1.262 8 c CA -0.587 56.096 56.329 0.591 0.000 1.581 8 c CB 1.477 44.325 42.510 0.564 0.000 2.221 8 c HN 0.399 nan 8.230 nan 0.000 0.497 9 V N 3.752 124.050 119.914 0.641 0.000 2.432 9 V HA 0.844 4.964 4.120 -0.000 0.000 0.275 9 V C 0.706 176.901 176.094 0.167 0.000 1.043 9 V CA 0.526 63.117 62.300 0.484 0.000 0.925 9 V CB 1.038 33.302 31.823 0.734 0.000 0.985 9 V HN 1.162 nan 8.190 nan 0.000 0.466 10 G N 3.729 112.413 108.800 -0.194 0.000 2.600 10 G HA2 0.686 4.646 3.960 -0.000 0.000 0.293 10 G HA3 0.686 4.646 3.960 -0.000 0.000 0.293 10 G C -1.865 172.604 174.900 -0.719 0.000 1.408 10 G CA -0.628 43.961 45.100 -0.851 0.000 0.782 10 G HN 0.688 nan 8.290 nan 0.000 0.482 11 Y N -1.620 118.301 120.300 -0.632 0.000 2.545 11 Y HA 0.767 5.317 4.550 0.000 0.000 0.348 11 Y C -0.022 175.751 175.900 -0.212 0.000 1.002 11 Y CA -1.750 56.208 58.100 -0.237 0.000 1.039 11 Y CB 0.837 39.224 38.460 -0.121 0.000 1.271 11 Y HN 0.776 nan 8.280 nan 0.000 0.467 12 H N 1.471 120.609 119.070 0.115 0.000 2.948 12 H HA 0.519 5.075 4.556 -0.000 0.000 0.351 12 H C -0.462 174.930 175.328 0.107 0.000 1.079 12 H CA 0.861 56.970 56.048 0.102 0.000 1.407 12 H CB 0.347 30.247 29.762 0.231 0.000 1.373 12 H HN 1.118 nan 8.280 nan 0.000 0.605 13 S N 2.693 118.154 115.700 -0.399 0.000 2.627 13 S HA 0.689 5.159 4.470 -0.000 0.000 0.283 13 S C -0.556 173.679 174.600 -0.610 0.000 1.127 13 S CA -0.355 57.594 58.200 -0.418 0.000 0.863 13 S CB 1.530 64.637 63.200 -0.155 0.000 1.121 13 S HN 1.077 nan 8.310 nan 0.000 0.479 14 N N -0.407 118.066 118.700 -0.379 0.000 3.339 14 N HA 0.229 4.969 4.740 -0.000 0.000 0.275 14 N C -1.819 173.619 175.510 -0.119 0.000 1.514 14 N CA -0.744 52.182 53.050 -0.207 0.000 0.879 14 N CB 0.039 38.441 38.487 -0.141 0.000 1.557 14 N HN 0.280 nan 8.380 nan 0.000 0.524 15 N N -0.397 118.272 118.700 -0.052 0.000 2.843 15 N HA 0.070 4.810 4.740 -0.000 0.000 0.284 15 N C -0.742 174.741 175.510 -0.046 0.000 1.274 15 N CA 0.135 53.162 53.050 -0.038 0.000 1.045 15 N CB -0.289 38.193 38.487 -0.008 0.000 1.370 15 N HN 0.494 nan 8.380 nan 0.000 0.525 16 S N -0.249 115.397 115.700 -0.089 0.000 2.541 16 S HA 0.328 4.798 4.470 -0.000 0.000 0.283 16 S C 1.154 175.708 174.600 -0.077 0.000 1.196 16 S CA -0.514 57.630 58.200 -0.093 0.000 1.062 16 S CB 0.735 63.828 63.200 -0.178 0.000 1.009 16 S HN 0.421 nan 8.310 nan 0.000 0.502 17 T N 0.827 115.350 114.554 -0.052 0.000 3.040 17 T HA 0.330 4.680 4.350 -0.000 0.000 0.266 17 T C 0.131 174.807 174.700 -0.039 0.000 1.005 17 T CA -0.356 61.718 62.100 -0.043 0.000 0.906 17 T CB -0.090 68.762 68.868 -0.028 0.000 1.082 17 T HN 0.614 nan 8.240 nan 0.000 0.531 18 E N 1.802 121.978 120.200 -0.040 0.000 2.360 18 E HA 0.366 4.716 4.350 -0.000 0.000 0.269 18 E C -0.707 175.872 176.600 -0.036 0.000 1.022 18 E CA -0.169 56.214 56.400 -0.028 0.000 0.887 18 E CB 0.732 30.425 29.700 -0.012 0.000 0.990 18 E HN 0.125 nan 8.360 nan 0.000 0.426 19 K N 1.190 121.574 120.400 -0.027 0.000 2.164 19 K HA 0.372 4.692 4.320 -0.000 0.000 0.258 19 K C -0.718 175.867 176.600 -0.025 0.000 0.951 19 K CA -0.619 55.649 56.287 -0.031 0.000 0.844 19 K CB 1.786 34.268 32.500 -0.030 0.000 1.099 19 K HN 0.352 nan 8.250 nan 0.000 0.435 20 V N -1.738 118.159 119.914 -0.030 0.000 3.001 20 V HA 0.667 4.787 4.120 -0.000 0.000 0.314 20 V C -1.010 175.065 176.094 -0.033 0.000 1.099 20 V CA -0.891 61.394 62.300 -0.026 0.000 0.989 20 V CB 2.236 34.047 31.823 -0.019 0.000 1.040 20 V HN 0.568 nan 8.190 nan 0.000 0.434 21 D N 1.470 121.849 120.400 -0.035 0.000 2.198 21 D HA 0.774 5.414 4.640 -0.000 0.000 0.247 21 D C 0.212 176.488 176.300 -0.040 0.000 1.010 21 D CA 0.113 54.089 54.000 -0.040 0.000 0.880 21 D CB 2.071 42.844 40.800 -0.045 0.000 1.209 21 D HN 1.131 nan 8.370 nan 0.000 0.451 22 T N -2.117 112.413 114.554 -0.041 0.000 2.773 22 T HA 0.416 4.766 4.350 -0.000 0.000 0.278 22 T C 0.974 175.648 174.700 -0.044 0.000 1.011 22 T CA -0.729 61.347 62.100 -0.040 0.000 1.014 22 T CB 0.709 69.557 68.868 -0.034 0.000 1.293 22 T HN 0.252 nan 8.240 nan 0.000 0.554 23 I N -0.225 120.319 120.570 -0.043 0.000 2.439 23 I HA 0.135 4.305 4.170 -0.000 0.000 0.251 23 I C 1.708 177.802 176.117 -0.039 0.000 1.139 23 I CA 0.983 62.256 61.300 -0.045 0.000 1.438 23 I CB -0.075 37.898 38.000 -0.045 0.000 1.085 23 I HN 0.554 nan 8.210 nan 0.000 0.427 24 L N -0.543 120.658 121.223 -0.036 0.000 2.529 24 L HA 0.214 4.554 4.340 -0.000 0.000 0.223 24 L C 0.546 177.396 176.870 -0.034 0.000 1.113 24 L CA 0.132 54.952 54.840 -0.034 0.000 0.861 24 L CB 0.032 42.070 42.059 -0.034 0.000 1.012 24 L HN 0.169 nan 8.230 nan 0.000 0.461 25 E N 0.228 120.407 120.200 -0.036 0.000 2.363 25 E HA 0.327 4.677 4.350 -0.000 0.000 0.281 25 E C -1.018 175.560 176.600 -0.036 0.000 0.953 25 E CA -0.738 55.641 56.400 -0.035 0.000 0.778 25 E CB 1.759 31.436 29.700 -0.038 0.000 1.220 25 E HN -0.052 nan 8.360 nan 0.000 0.431 26 R N 2.287 122.767 120.500 -0.034 0.000 2.691 26 R HA 0.405 4.745 4.340 -0.000 0.000 0.259 26 R C 0.004 176.283 176.300 -0.035 0.000 1.048 26 R CA -0.897 55.182 56.100 -0.035 0.000 1.086 26 R CB 0.231 30.512 30.300 -0.032 0.000 1.166 26 R HN 0.682 nan 8.270 nan 0.000 0.526 27 N N -0.474 118.205 118.700 -0.034 0.000 2.708 27 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 27 N C -0.673 174.814 175.510 -0.039 0.000 1.017 27 N CA 0.521 53.551 53.050 -0.034 0.000 0.742 27 N CB -1.167 37.302 38.487 -0.030 0.000 0.943 27 N HN 0.272 nan 8.380 nan 0.000 0.539 28 V N 1.014 120.903 119.914 -0.043 0.000 2.479 28 V HA 0.029 4.149 4.120 -0.000 0.000 0.281 28 V C 1.073 177.132 176.094 -0.058 0.000 1.031 28 V CA 0.060 62.329 62.300 -0.051 0.000 1.038 28 V CB 1.081 32.872 31.823 -0.053 0.000 0.981 28 V HN 0.222 nan 8.190 nan 0.000 0.478 29 T N 5.889 120.404 114.554 -0.066 0.000 2.901 29 T HA 0.437 4.787 4.350 -0.000 0.000 0.301 29 T C -0.077 174.561 174.700 -0.104 0.000 1.012 29 T CA -0.154 61.900 62.100 -0.077 0.000 1.135 29 T CB 1.014 69.836 68.868 -0.076 0.000 0.936 29 T HN 0.746 nan 8.240 nan 0.000 0.539 30 V N 0.584 120.431 119.914 -0.112 0.000 2.962 30 V HA 0.605 4.725 4.120 -0.000 0.000 0.313 30 V C 1.253 177.223 176.094 -0.208 0.000 1.099 30 V CA -0.525 61.685 62.300 -0.149 0.000 0.971 30 V CB 1.308 33.067 31.823 -0.106 0.000 1.028 30 V HN 0.871 nan 8.190 nan 0.000 0.430 31 T N -0.078 114.297 114.554 -0.299 0.000 2.720 31 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 31 T C 0.517 174.678 174.700 -0.899 0.000 1.037 31 T CA 1.933 63.703 62.100 -0.549 0.000 1.144 31 T CB -0.644 67.987 68.868 -0.394 0.000 0.864 31 T HN 1.026 nan 8.240 nan 0.000 0.444 32 H N -0.401 118.722 119.070 0.089 0.000 3.086 32 H HA 0.757 5.313 4.556 -0.000 0.000 0.353 32 H C -0.299 175.094 175.328 0.107 0.000 1.134 32 H CA -0.459 55.673 56.048 0.141 0.000 1.248 32 H CB 1.557 31.485 29.762 0.277 0.000 1.878 32 H HN 0.463 nan 8.280 nan 0.000 0.527 33 A N 1.799 124.730 122.820 0.185 0.000 2.548 33 A HA 0.833 5.153 4.320 -0.000 0.000 0.262 33 A C -1.265 176.391 177.584 0.120 0.000 1.271 33 A CA -0.751 51.359 52.037 0.123 0.000 0.839 33 A CB 2.120 21.157 19.000 0.062 0.000 1.381 33 A HN 0.616 nan 8.150 nan 0.000 0.468 34 Q N -0.049 119.803 119.800 0.086 0.000 2.364 34 Q HA 0.359 4.699 4.340 -0.000 0.000 0.257 34 Q C -2.331 173.705 176.000 0.059 0.000 0.956 34 Q CA -0.520 55.328 55.803 0.076 0.000 0.924 34 Q CB 1.867 30.656 28.738 0.085 0.000 1.413 34 Q HN 0.677 nan 8.270 nan 0.000 0.418 35 D N 3.840 124.271 120.400 0.053 0.000 2.316 35 D HA 0.216 4.856 4.640 -0.000 0.000 0.245 35 D C 0.752 177.089 176.300 0.063 0.000 1.171 35 D CA -0.254 53.774 54.000 0.048 0.000 0.856 35 D CB 0.921 41.745 40.800 0.039 0.000 1.090 35 D HN 0.637 nan 8.370 nan 0.000 0.476 36 I N 1.082 121.700 120.570 0.079 0.000 3.956 36 I HA 0.278 4.447 4.170 -0.000 0.000 0.333 36 I C -0.084 176.136 176.117 0.173 0.000 1.302 36 I CA -0.310 61.066 61.300 0.128 0.000 1.122 36 I CB 0.254 38.363 38.000 0.181 0.000 1.013 36 I HN 0.121 nan 8.210 nan 0.000 0.405 37 L N 2.574 123.866 121.223 0.116 0.000 2.264 37 L HA 0.469 4.809 4.340 -0.000 0.000 0.287 37 L C 0.036 176.966 176.870 0.099 0.000 1.039 37 L CA -0.307 54.604 54.840 0.119 0.000 0.829 37 L CB 0.853 42.933 42.059 0.036 0.000 1.211 37 L HN 0.112 nan 8.230 nan 0.000 0.427 38 E N 3.779 124.055 120.200 0.128 0.000 2.376 38 E HA 0.104 4.454 4.350 -0.000 0.000 0.266 38 E C -0.035 176.642 176.600 0.128 0.000 1.009 38 E CA 0.736 57.204 56.400 0.113 0.000 0.902 38 E CB 0.856 30.627 29.700 0.118 0.000 0.972 38 E HN 0.604 nan 8.360 nan 0.000 0.439 39 K N 1.846 122.300 120.400 0.089 0.000 2.477 39 K HA 0.140 4.460 4.320 -0.000 0.000 0.208 39 K C -0.497 176.147 176.600 0.072 0.000 1.117 39 K CA 0.040 56.379 56.287 0.087 0.000 1.039 39 K CB 1.103 33.632 32.500 0.049 0.000 0.937 39 K HN 0.471 nan 8.250 nan 0.000 0.570 40 T N 0.598 115.180 114.554 0.046 0.000 2.893 40 T HA 0.338 4.688 4.350 -0.000 0.000 0.293 40 T C -1.604 173.094 174.700 -0.003 0.000 1.027 40 T CA -0.756 61.325 62.100 -0.032 0.000 0.988 40 T CB 0.808 69.638 68.868 -0.063 0.000 1.043 40 T HN 0.313 nan 8.240 nan 0.000 0.461 41 H N 2.364 121.435 119.070 0.002 0.000 2.622 41 H HA 0.575 5.131 4.556 -0.000 0.000 0.363 41 H C 1.187 176.503 175.328 -0.020 0.000 1.151 41 H CA -0.985 55.051 56.048 -0.020 0.000 1.184 41 H CB 0.736 30.480 29.762 -0.029 0.000 1.643 41 H HN 0.384 nan 8.280 nan 0.000 0.531 42 N N 1.676 120.447 118.700 0.119 0.000 2.073 42 N HA -0.258 4.482 4.740 -0.000 0.000 0.199 42 N C 1.497 177.072 175.510 0.108 0.000 1.023 42 N CA 3.102 56.197 53.050 0.074 0.000 0.880 42 N CB -0.551 37.965 38.487 0.048 0.000 1.052 42 N HN 1.114 nan 8.380 nan 0.000 0.449 43 G N -0.523 108.423 108.800 0.244 0.000 2.194 43 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.236 43 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.236 43 G C -0.150 174.799 174.900 0.082 0.000 0.987 43 G CA 0.697 45.926 45.100 0.217 0.000 0.635 43 G HN 0.701 nan 8.290 nan 0.000 0.520 44 K N -0.064 120.364 120.400 0.046 0.000 2.395 44 K HA 0.830 5.150 4.320 -0.000 0.000 0.247 44 K C -0.817 175.783 176.600 0.000 0.000 0.973 44 K CA -1.261 55.034 56.287 0.014 0.000 0.828 44 K CB 2.115 34.623 32.500 0.014 0.000 1.272 44 K HN 0.068 nan 8.250 nan 0.000 0.439 45 L N 1.449 122.673 121.223 0.002 0.000 2.292 45 L HA 0.409 4.749 4.340 -0.000 0.000 0.284 45 L C -0.504 176.401 176.870 0.058 0.000 1.065 45 L CA -0.116 54.742 54.840 0.029 0.000 0.806 45 L CB 1.071 43.156 42.059 0.043 0.000 1.175 45 L HN 0.760 nan 8.230 nan 0.000 0.431 46 c N 0.398 119.057 118.600 0.097 0.000 3.259 46 c HA 0.519 5.089 4.570 -0.000 0.000 0.328 46 c C 0.030 174.212 174.090 0.153 0.000 1.425 46 c CA -1.609 54.770 56.329 0.085 0.000 1.465 46 c CB 1.935 44.471 42.510 0.044 0.000 1.890 46 c HN 0.730 nan 8.230 nan 0.000 0.450 47 K N 0.277 120.737 120.400 0.101 0.000 2.336 47 K HA 0.376 4.696 4.320 -0.000 0.000 0.262 47 K C -0.903 175.788 176.600 0.152 0.000 0.992 47 K CA -0.079 56.282 56.287 0.122 0.000 0.927 47 K CB 0.232 32.771 32.500 0.065 0.000 0.956 47 K HN 0.464 nan 8.250 nan 0.000 0.495 48 L N 3.082 124.417 121.223 0.187 0.000 2.417 48 L HA 0.250 4.589 4.340 -0.000 0.000 0.259 48 L C -1.223 175.716 176.870 0.115 0.000 1.023 48 L CA -0.048 54.882 54.840 0.150 0.000 0.901 48 L CB 0.150 42.335 42.059 0.210 0.000 1.227 48 L HN 0.645 nan 8.230 nan 0.000 0.454 49 N N 3.285 122.029 118.700 0.074 0.000 2.815 49 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 49 N C 0.906 176.442 175.510 0.043 0.000 1.110 49 N CA 1.322 54.404 53.050 0.052 0.000 0.699 49 N CB -1.503 37.016 38.487 0.053 0.000 1.040 49 N HN 1.053 nan 8.380 nan 0.000 0.555 50 G N -1.083 107.744 108.800 0.044 0.000 2.550 50 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.233 50 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.233 50 G C 0.193 175.117 174.900 0.040 0.000 1.170 50 G CA 0.339 45.459 45.100 0.035 0.000 0.693 50 G HN 0.424 nan 8.290 nan 0.000 0.512 51 I N 3.599 124.198 120.570 0.048 0.000 2.668 51 I HA 0.225 4.395 4.170 -0.000 0.000 0.285 51 I C -1.646 174.510 176.117 0.065 0.000 1.168 51 I CA -1.721 59.610 61.300 0.051 0.000 1.424 51 I CB 0.024 38.054 38.000 0.052 0.000 1.377 51 I HN 0.051 nan 8.210 nan 0.000 0.560 52 P HA 0.363 nan 4.420 nan 0.000 0.277 52 P C -2.546 174.693 177.300 -0.101 0.000 1.271 52 P CA -1.226 61.862 63.100 -0.020 0.000 0.795 52 P CB 0.069 31.750 31.700 -0.031 0.000 1.101 53 P HA 0.286 nan 4.420 nan 0.000 0.297 53 P C -1.139 175.893 177.300 -0.447 0.000 1.307 53 P CA -0.382 62.314 63.100 -0.673 0.000 0.773 53 P CB 0.341 31.217 31.700 -1.374 0.000 1.265 54 L N 0.174 121.013 121.223 -0.640 0.000 2.277 54 L HA 0.332 4.672 4.340 -0.000 0.000 0.284 54 L C -0.125 176.360 176.870 -0.642 0.000 1.028 54 L CA -0.150 54.242 54.840 -0.747 0.000 0.835 54 L CB -0.358 40.873 42.059 -1.380 0.000 1.215 54 L HN 0.212 nan 8.230 nan 0.000 0.425 55 E N 5.030 124.944 120.200 -0.476 0.000 2.257 55 E HA 0.132 4.482 4.350 -0.000 0.000 0.278 55 E C 0.272 176.628 176.600 -0.407 0.000 1.049 55 E CA -0.022 56.154 56.400 -0.373 0.000 0.876 55 E CB 1.157 30.703 29.700 -0.257 0.000 1.035 55 E HN 0.749 nan 8.360 nan 0.000 0.419 56 L N 2.677 123.679 121.223 -0.369 0.000 2.664 56 L HA 0.162 4.502 4.340 -0.000 0.000 0.233 56 L C 1.315 178.056 176.870 -0.216 0.000 1.113 56 L CA 0.238 54.871 54.840 -0.346 0.000 0.896 56 L CB -0.140 41.707 42.059 -0.354 0.000 1.163 56 L HN 0.837 nan 8.230 nan 0.000 0.497 57 G N 2.371 111.063 108.800 -0.180 0.000 2.614 57 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.303 57 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.303 57 G C 0.168 175.007 174.900 -0.102 0.000 1.270 57 G CA 0.617 45.643 45.100 -0.123 0.000 0.988 57 G HN 0.534 nan 8.290 nan 0.000 0.551 58 D N 0.201 120.556 120.400 -0.076 0.000 2.434 58 D HA 0.357 4.997 4.640 -0.000 0.000 0.232 58 D C 0.684 176.954 176.300 -0.051 0.000 1.166 58 D CA -0.012 53.954 54.000 -0.057 0.000 0.830 58 D CB -0.548 40.228 40.800 -0.041 0.000 0.960 58 D HN 0.521 nan 8.370 nan 0.000 0.497 59 c N 0.359 118.918 118.600 -0.068 0.000 2.349 59 c HA 0.778 5.348 4.570 -0.000 0.000 0.361 59 c C 0.583 174.640 174.090 -0.055 0.000 1.189 59 c CA -0.573 55.726 56.329 -0.049 0.000 2.155 59 c CB 1.284 43.765 42.510 -0.049 0.000 2.336 59 c HN 0.503 nan 8.230 nan 0.000 0.540 60 S N 1.064 116.754 115.700 -0.016 0.000 2.607 60 S HA 0.526 4.996 4.470 -0.000 0.000 0.303 60 S C 0.831 175.452 174.600 0.036 0.000 1.086 60 S CA -0.635 57.564 58.200 -0.002 0.000 0.995 60 S CB 0.634 63.848 63.200 0.024 0.000 1.084 60 S HN 0.613 nan 8.310 nan 0.000 0.507 61 I N 1.235 121.832 120.570 0.045 0.000 2.264 61 I HA -0.201 3.968 4.170 -0.000 0.000 0.248 61 I C 2.803 178.942 176.117 0.037 0.000 1.111 61 I CA 1.766 63.121 61.300 0.092 0.000 1.382 61 I CB -1.158 36.824 38.000 -0.030 0.000 1.060 61 I HN 0.884 nan 8.210 nan 0.000 0.418 62 A N 1.089 123.888 122.820 -0.034 0.000 1.877 62 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 62 A C 2.484 179.973 177.584 -0.158 0.000 1.186 62 A CA 1.870 53.761 52.037 -0.243 0.000 0.620 62 A CB -1.388 17.339 19.000 -0.455 0.000 0.822 62 A HN 0.432 nan 8.150 nan 0.000 0.443 63 G N -1.313 107.455 108.800 -0.055 0.000 2.440 63 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 63 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 63 G C 1.375 176.317 174.900 0.070 0.000 1.154 63 G CA 1.294 46.404 45.100 0.018 0.000 0.767 63 G HN 0.715 nan 8.290 nan 0.000 0.552 64 W N 1.373 122.604 121.300 -0.114 0.000 2.353 64 W HA 0.001 4.661 4.660 -0.000 0.000 0.319 64 W C 2.295 178.767 176.519 -0.078 0.000 1.207 64 W CA 1.434 58.714 57.345 -0.108 0.000 1.291 64 W CB -0.746 28.610 29.460 -0.174 0.000 1.159 64 W HN 0.130 nan 8.180 nan 0.000 0.478 65 L N 0.290 121.221 121.223 -0.486 0.000 2.141 65 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 65 L C 2.580 179.290 176.870 -0.268 0.000 1.094 65 L CA 1.028 55.451 54.840 -0.695 0.000 0.763 65 L CB -0.878 40.734 42.059 -0.744 0.000 0.908 65 L HN 0.085 nan 8.230 nan 0.000 0.437 66 L N -0.482 120.572 121.223 -0.281 0.000 2.156 66 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 66 L C 1.428 178.244 176.870 -0.090 0.000 1.095 66 L CA 0.947 55.565 54.840 -0.369 0.000 0.770 66 L CB -0.501 40.973 42.059 -0.975 0.000 0.914 66 L HN 0.536 nan 8.230 nan 0.000 0.439 67 G N 0.482 109.288 108.800 0.009 0.000 2.141 67 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.195 67 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.195 67 G C 0.093 175.092 174.900 0.164 0.000 1.012 67 G CA 0.024 45.180 45.100 0.093 0.000 0.696 67 G HN 0.364 nan 8.290 nan 0.000 0.508 68 N N 0.753 119.606 118.700 0.256 0.000 2.131 68 N HA 0.038 4.778 4.740 -0.000 0.000 0.276 68 N C -0.453 175.077 175.510 0.033 0.000 1.295 68 N CA -0.345 52.795 53.050 0.149 0.000 0.818 68 N CB 0.863 39.443 38.487 0.155 0.000 1.049 68 N HN 0.147 nan 8.380 nan 0.000 0.484 69 P HA -0.096 nan 4.420 nan 0.000 0.222 69 P C 0.524 177.788 177.300 -0.060 0.000 1.142 69 P CA 1.070 64.140 63.100 -0.050 0.000 0.788 69 P CB 0.309 31.958 31.700 -0.086 0.000 0.767 70 E N -2.000 118.172 120.200 -0.046 0.000 2.435 70 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 70 E C 0.897 177.485 176.600 -0.020 0.000 1.029 70 E CA 0.461 56.833 56.400 -0.046 0.000 0.865 70 E CB -0.658 29.019 29.700 -0.038 0.000 0.833 70 E HN 0.172 nan 8.360 nan 0.000 0.510 71 c N 0.824 119.430 118.600 0.010 0.000 2.906 71 c HA 0.156 4.726 4.570 -0.000 0.000 0.274 71 c C 1.425 175.544 174.090 0.048 0.000 1.257 71 c CA -0.730 55.621 56.329 0.036 0.000 1.695 71 c CB -0.469 42.094 42.510 0.089 0.000 1.958 71 c HN 0.361 nan 8.230 nan 0.000 0.619 72 D N 2.305 122.720 120.400 0.025 0.000 2.133 72 D HA -0.126 4.514 4.640 -0.000 0.000 0.192 72 D C 1.567 177.886 176.300 0.030 0.000 1.001 72 D CA 1.135 55.152 54.000 0.029 0.000 0.844 72 D CB -0.259 40.544 40.800 0.005 0.000 0.944 72 D HN 0.530 nan 8.370 nan 0.000 0.447 73 R N 1.190 121.696 120.500 0.010 0.000 4.559 73 R HA 0.181 4.521 4.340 -0.000 0.000 0.177 73 R C -0.106 176.188 176.300 -0.010 0.000 1.875 73 R CA 0.101 56.203 56.100 0.003 0.000 1.509 73 R CB -0.833 29.463 30.300 -0.005 0.000 1.395 73 R HN 0.231 nan 8.270 nan 0.000 0.830 74 L N 1.018 122.244 121.223 0.006 0.000 2.362 74 L HA 0.605 4.945 4.340 -0.000 0.000 0.271 74 L C -0.236 176.630 176.870 -0.007 0.000 1.002 74 L CA -0.904 53.918 54.840 -0.030 0.000 0.818 74 L CB 2.101 44.138 42.059 -0.036 0.000 1.298 74 L HN 0.251 nan 8.230 nan 0.000 0.420 75 L N 1.146 122.339 121.223 -0.049 0.000 2.280 75 L HA 0.693 5.033 4.340 -0.000 0.000 0.287 75 L C 0.448 177.301 176.870 -0.028 0.000 1.023 75 L CA -0.548 54.283 54.840 -0.015 0.000 0.819 75 L CB 0.958 43.003 42.059 -0.024 0.000 1.212 75 L HN 0.681 nan 8.230 nan 0.000 0.420 76 T N 1.021 115.619 114.554 0.072 0.000 3.254 76 T HA 0.464 4.814 4.350 -0.000 0.000 0.385 76 T C 0.067 174.908 174.700 0.235 0.000 1.528 76 T CA -0.324 61.864 62.100 0.146 0.000 1.212 76 T CB 0.300 69.380 68.868 0.353 0.000 1.145 76 T HN 1.532 nan 8.240 nan 0.000 0.631 77 V N 4.980 125.002 119.914 0.179 0.000 2.506 77 V HA 0.113 4.233 4.120 -0.000 0.000 0.296 77 V C -1.262 175.026 176.094 0.323 0.000 1.004 77 V CA -1.130 61.291 62.300 0.202 0.000 1.150 77 V CB 0.706 32.614 31.823 0.142 0.000 0.911 77 V HN 0.494 nan 8.190 nan 0.000 0.476 78 P HA -0.120 nan 4.420 nan 0.000 0.221 78 P C 0.118 177.486 177.300 0.113 0.000 1.141 78 P CA 1.227 64.498 63.100 0.285 0.000 0.794 78 P CB 0.201 32.090 31.700 0.315 0.000 0.764 79 E N -0.406 119.836 120.200 0.069 0.000 2.246 79 E HA 0.358 4.708 4.350 -0.000 0.000 0.266 79 E C -1.421 175.176 176.600 -0.005 0.000 0.880 79 E CA -1.052 55.273 56.400 -0.127 0.000 0.762 79 E CB 1.109 30.778 29.700 -0.051 0.000 1.180 79 E HN -0.047 nan 8.360 nan 0.000 0.416 80 W N 2.685 123.961 121.300 -0.041 0.000 2.975 80 W HA 0.512 5.172 4.660 -0.000 0.000 0.342 80 W C 0.372 176.851 176.519 -0.067 0.000 1.168 80 W CA -0.430 56.856 57.345 -0.098 0.000 1.141 80 W CB 0.475 29.820 29.460 -0.191 0.000 1.445 80 W HN 0.324 nan 8.180 nan 0.000 0.560 81 S N -0.003 115.834 115.700 0.228 0.000 2.460 81 S HA 0.257 4.726 4.470 -0.000 0.000 0.226 81 S C 0.035 174.862 174.600 0.378 0.000 1.057 81 S CA 0.743 59.081 58.200 0.231 0.000 0.948 81 S CB -0.618 62.737 63.200 0.258 0.000 0.822 81 S HN 0.784 nan 8.310 nan 0.000 0.512 82 Y N -0.641 119.765 120.300 0.178 0.000 2.638 82 Y HA 0.824 5.374 4.550 -0.000 0.000 0.339 82 Y C -1.201 174.657 175.900 -0.070 0.000 1.084 82 Y CA -1.859 56.292 58.100 0.085 0.000 1.068 82 Y CB 0.997 39.468 38.460 0.020 0.000 1.294 82 Y HN -0.005 nan 8.280 nan 0.000 0.480 83 I N 2.967 123.467 120.570 -0.118 0.000 2.433 83 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 83 I C -0.815 175.156 176.117 -0.243 0.000 1.001 83 I CA -1.001 60.063 61.300 -0.393 0.000 1.119 83 I CB 1.942 39.673 38.000 -0.449 0.000 1.289 83 I HN 0.578 nan 8.210 nan 0.000 0.438 84 M N 6.098 125.502 119.600 -0.327 0.000 2.061 84 M HA 0.369 4.849 4.480 -0.000 0.000 0.346 84 M C -0.456 175.713 176.300 -0.218 0.000 1.112 84 M CA -0.096 55.086 55.300 -0.196 0.000 1.021 84 M CB 1.082 33.572 32.600 -0.184 0.000 1.530 84 M HN 0.479 nan 8.290 nan 0.000 0.437 85 E N 2.618 122.719 120.200 -0.165 0.000 2.222 85 E HA 0.366 4.716 4.350 -0.000 0.000 0.267 85 E C -1.026 175.510 176.600 -0.107 0.000 0.884 85 E CA -0.776 55.531 56.400 -0.155 0.000 0.764 85 E CB 1.887 31.493 29.700 -0.156 0.000 1.169 85 E HN 0.415 nan 8.360 nan 0.000 0.413 86 K N 1.670 122.014 120.400 -0.093 0.000 2.344 86 K HA -0.093 4.227 4.320 -0.000 0.000 0.260 86 K C 0.876 177.446 176.600 -0.051 0.000 0.988 86 K CA 0.321 56.569 56.287 -0.065 0.000 0.909 86 K CB 0.454 32.921 32.500 -0.055 0.000 0.968 86 K HN 0.448 nan 8.250 nan 0.000 0.505 87 E N 1.033 121.211 120.200 -0.036 0.000 2.031 87 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 87 E C -0.474 176.117 176.600 -0.014 0.000 0.994 87 E CA 1.651 58.038 56.400 -0.023 0.000 0.800 87 E CB 0.089 29.781 29.700 -0.013 0.000 0.752 87 E HN 0.509 nan 8.360 nan 0.000 0.447 88 N N 0.835 119.529 118.700 -0.011 0.000 2.746 88 N HA 0.288 5.028 4.740 -0.000 0.000 0.250 88 N C -2.710 172.795 175.510 -0.008 0.000 1.146 88 N CA -1.202 51.846 53.050 -0.003 0.000 0.828 88 N CB 1.589 40.078 38.487 0.003 0.000 1.158 88 N HN 0.016 nan 8.380 nan 0.000 0.519 89 P HA 0.089 nan 4.420 nan 0.000 0.266 89 P C 0.616 177.911 177.300 -0.008 0.000 1.193 89 P CA -0.079 63.010 63.100 -0.018 0.000 0.770 89 P CB 1.258 32.947 31.700 -0.019 0.000 0.836 90 R N 1.179 121.672 120.500 -0.011 0.000 2.075 90 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 90 R C 0.183 176.483 176.300 0.000 0.000 1.114 90 R CA 0.975 57.072 56.100 -0.005 0.000 0.972 90 R CB -0.320 29.974 30.300 -0.010 0.000 0.869 90 R HN 0.552 nan 8.270 nan 0.000 0.437 91 N N 0.845 119.544 118.700 -0.002 0.000 2.918 91 N HA 0.138 4.878 4.740 -0.000 0.000 0.247 91 N C -0.208 175.315 175.510 0.022 0.000 1.117 91 N CA -0.578 52.477 53.050 0.009 0.000 1.005 91 N CB 1.537 40.025 38.487 0.002 0.000 1.297 91 N HN 0.192 nan 8.380 nan 0.000 0.513 92 G N 0.737 109.556 108.800 0.031 0.000 3.441 92 G HA2 0.306 4.266 3.960 -0.000 0.000 0.195 92 G HA3 0.306 4.266 3.960 -0.000 0.000 0.195 92 G C -0.092 174.855 174.900 0.078 0.000 1.633 92 G CA -0.566 44.551 45.100 0.027 0.000 0.895 92 G HN 0.277 nan 8.290 nan 0.000 0.654 93 L N 2.176 123.447 121.223 0.079 0.000 2.407 93 L HA 0.116 4.456 4.340 -0.000 0.000 0.282 93 L C 1.882 178.899 176.870 0.245 0.000 1.110 93 L CA -0.833 54.136 54.840 0.215 0.000 0.863 93 L CB 0.722 42.886 42.059 0.176 0.000 1.207 93 L HN 0.695 nan 8.230 nan 0.000 0.454 94 c N 1.802 120.561 118.600 0.264 0.000 2.453 94 c HA -0.125 4.445 4.570 -0.000 0.000 0.277 94 c C 1.233 175.371 174.090 0.081 0.000 1.262 94 c CA -0.247 56.121 56.329 0.064 0.000 1.718 94 c CB -0.858 41.597 42.510 -0.091 0.000 2.031 94 c HN 0.635 nan 8.230 nan 0.000 0.480 95 Y N 4.174 124.496 120.300 0.037 0.000 2.436 95 Y HA 0.421 4.971 4.550 -0.000 0.000 0.336 95 Y C -2.165 173.875 175.900 0.234 0.000 1.049 95 Y CA -2.302 55.885 58.100 0.145 0.000 1.294 95 Y CB 0.295 38.862 38.460 0.178 0.000 1.179 95 Y HN 0.183 nan 8.280 nan 0.000 0.520 96 P HA 0.273 nan 4.420 nan 0.000 0.269 96 P C -0.045 177.420 177.300 0.276 0.000 1.217 96 P CA 0.636 63.800 63.100 0.106 0.000 0.783 96 P CB 0.849 32.525 31.700 -0.041 0.000 0.898 97 G N -0.312 108.610 108.800 0.203 0.000 2.441 97 G HA2 0.440 4.400 3.960 -0.000 0.000 0.222 97 G HA3 0.440 4.400 3.960 -0.000 0.000 0.222 97 G C -1.345 173.643 174.900 0.146 0.000 1.254 97 G CA 0.098 45.314 45.100 0.193 0.000 0.959 97 G HN 0.749 nan 8.290 nan 0.000 0.474 98 S N -1.362 114.424 115.700 0.143 0.000 2.651 98 S HA 0.819 5.289 4.470 -0.000 0.000 0.279 98 S C -1.828 172.865 174.600 0.156 0.000 1.148 98 S CA -0.697 57.577 58.200 0.123 0.000 0.837 98 S CB 2.536 65.788 63.200 0.088 0.000 1.138 98 S HN 1.479 nan 8.310 nan 0.000 0.478 99 F N 1.813 121.753 119.950 -0.017 0.000 2.518 99 F HA 0.540 5.067 4.527 -0.000 0.000 0.323 99 F C -0.661 175.183 175.800 0.073 0.000 1.129 99 F CA -0.940 57.045 58.000 -0.026 0.000 0.920 99 F CB 1.697 40.498 39.000 -0.330 0.000 1.160 99 F HN 0.627 nan 8.300 nan 0.000 0.440 100 N N 4.799 123.707 118.700 0.346 0.000 2.488 100 N HA 0.140 4.880 4.740 -0.000 0.000 0.274 100 N C -0.577 175.237 175.510 0.507 0.000 1.111 100 N CA 0.279 53.507 53.050 0.295 0.000 0.974 100 N CB 0.678 39.203 38.487 0.064 0.000 1.089 100 N HN 0.593 nan 8.380 nan 0.000 0.465 101 D N 1.070 121.701 120.400 0.385 0.000 2.723 101 D HA -0.253 4.387 4.640 -0.000 0.000 0.236 101 D C 0.706 177.361 176.300 0.591 0.000 1.138 101 D CA 0.480 54.744 54.000 0.439 0.000 0.676 101 D CB -0.925 40.105 40.800 0.384 0.000 1.069 101 D HN 0.587 nan 8.370 nan 0.000 0.430 102 Y N 0.822 121.276 120.300 0.258 0.000 2.145 102 Y HA -0.174 4.376 4.550 -0.000 0.000 0.286 102 Y C 2.044 177.879 175.900 -0.108 0.000 1.145 102 Y CA 2.233 60.315 58.100 -0.030 0.000 1.148 102 Y CB 0.029 38.433 38.460 -0.094 0.000 0.981 102 Y HN 0.020 nan 8.280 nan 0.000 0.507 103 E N 0.208 120.345 120.200 -0.105 0.000 2.051 103 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 103 E C 2.112 178.639 176.600 -0.122 0.000 0.991 103 E CA 1.517 57.780 56.400 -0.228 0.000 0.799 103 E CB -0.295 29.317 29.700 -0.146 0.000 0.748 103 E HN 0.402 nan 8.360 nan 0.000 0.449 104 E N 0.019 120.248 120.200 0.047 0.000 2.209 104 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 104 E C 1.996 178.673 176.600 0.130 0.000 0.993 104 E CA 0.565 57.057 56.400 0.153 0.000 0.819 104 E CB -0.084 29.790 29.700 0.290 0.000 0.745 104 E HN 0.177 nan 8.360 nan 0.000 0.477 105 L N 1.086 122.266 121.223 -0.071 0.000 2.095 105 L HA -0.054 4.286 4.340 -0.000 0.000 0.204 105 L C 2.055 178.665 176.870 -0.432 0.000 1.080 105 L CA 1.601 56.094 54.840 -0.577 0.000 0.759 105 L CB -0.193 41.206 42.059 -1.100 0.000 0.914 105 L HN -0.155 nan 8.230 nan 0.000 0.439 106 K N -1.066 119.069 120.400 -0.443 0.000 2.020 106 K HA -0.275 4.045 4.320 -0.000 0.000 0.212 106 K C 2.319 178.794 176.600 -0.210 0.000 1.050 106 K CA 1.908 57.959 56.287 -0.393 0.000 0.929 106 K CB -0.483 31.718 32.500 -0.498 0.000 0.714 106 K HN 0.495 nan 8.250 nan 0.000 0.443 107 H N 0.607 119.547 119.070 -0.217 0.000 2.321 107 H HA -0.153 4.403 4.556 0.000 0.000 0.300 107 H C 2.188 177.468 175.328 -0.080 0.000 1.087 107 H CA 1.821 57.793 56.048 -0.127 0.000 1.319 107 H CB -0.104 29.599 29.762 -0.098 0.000 1.379 107 H HN 0.114 nan 8.280 nan 0.000 0.501 108 L N 2.320 123.529 121.223 -0.023 0.000 2.013 108 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 108 L C 2.161 178.963 176.870 -0.113 0.000 1.073 108 L CA 1.992 56.805 54.840 -0.045 0.000 0.753 108 L CB -0.804 41.256 42.059 0.002 0.000 0.890 108 L HN 0.472 nan 8.230 nan 0.000 0.432 109 I N -3.282 117.205 120.570 -0.140 0.000 3.780 109 I HA 0.132 4.302 4.170 -0.000 0.000 0.312 109 I C 1.698 177.814 176.117 -0.002 0.000 1.377 109 I CA 0.068 61.323 61.300 -0.074 0.000 1.224 109 I CB -0.539 37.397 38.000 -0.106 0.000 1.110 109 I HN 0.066 nan 8.210 nan 0.000 0.418 110 S N 1.577 117.226 115.700 -0.085 0.000 2.353 110 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 110 S C 1.079 175.748 174.600 0.116 0.000 1.035 110 S CA 1.761 59.937 58.200 -0.040 0.000 1.025 110 S CB -0.083 63.017 63.200 -0.167 0.000 0.902 110 S HN 0.848 nan 8.310 nan 0.000 0.440 111 S N 0.060 115.764 115.700 0.008 0.000 2.548 111 S HA 0.745 5.215 4.470 -0.000 0.000 0.286 111 S C -0.658 173.785 174.600 -0.262 0.000 1.098 111 S CA -0.762 57.390 58.200 -0.080 0.000 0.930 111 S CB 2.077 65.225 63.200 -0.087 0.000 1.070 111 S HN 0.444 nan 8.310 nan 0.000 0.480 112 V N -2.001 117.562 119.914 -0.586 0.000 3.130 112 V HA 0.987 5.107 4.120 -0.000 0.000 0.310 112 V C -0.438 175.392 176.094 -0.440 0.000 1.158 112 V CA -0.180 61.791 62.300 -0.548 0.000 1.029 112 V CB 1.457 32.774 31.823 -0.845 0.000 1.057 112 V HN 1.426 nan 8.190 nan 0.000 0.436 113 T N 1.555 115.978 114.554 -0.219 0.000 3.883 113 T HA 0.273 4.623 4.350 -0.000 0.000 0.175 113 T C -0.696 174.038 174.700 0.057 0.000 0.534 113 T CA 0.028 62.074 62.100 -0.090 0.000 1.036 113 T CB -0.870 67.936 68.868 -0.104 0.000 1.273 113 T HN 1.729 nan 8.240 nan 0.000 0.534 114 H N 1.095 120.122 119.070 -0.072 0.000 3.247 114 H HA 0.856 5.412 4.556 -0.000 0.000 0.262 114 H C -1.594 173.743 175.328 0.015 0.000 1.646 114 H CA -1.803 54.200 56.048 -0.075 0.000 1.600 114 H CB 0.750 30.495 29.762 -0.028 0.000 1.635 114 H HN 0.333 nan 8.280 nan 0.000 0.915 115 F N 0.508 120.103 119.950 -0.592 0.000 2.831 115 F HA 0.299 4.826 4.527 -0.000 0.000 0.346 115 F C -1.190 174.459 175.800 -0.251 0.000 1.224 115 F CA -0.379 57.378 58.000 -0.406 0.000 1.048 115 F CB 1.201 40.074 39.000 -0.211 0.000 1.339 115 F HN 0.773 nan 8.300 nan 0.000 0.514 116 E N 5.892 125.712 120.200 -0.633 0.000 2.256 116 E HA 0.287 4.637 4.350 -0.000 0.000 0.268 116 E C -1.553 174.868 176.600 -0.299 0.000 0.877 116 E CA -0.939 55.288 56.400 -0.287 0.000 0.757 116 E CB 1.800 31.425 29.700 -0.125 0.000 1.183 116 E HN 0.621 nan 8.360 nan 0.000 0.418 117 K N 3.273 123.554 120.400 -0.198 0.000 2.249 117 K HA 0.324 4.644 4.320 -0.000 0.000 0.280 117 K C -0.685 175.810 176.600 -0.175 0.000 1.033 117 K CA -0.540 55.539 56.287 -0.346 0.000 0.946 117 K CB 1.080 33.349 32.500 -0.384 0.000 1.005 117 K HN 0.350 nan 8.250 nan 0.000 0.469 118 V N 0.956 120.765 119.914 -0.176 0.000 2.789 118 V HA 0.449 4.569 4.120 -0.000 0.000 0.311 118 V C -0.890 175.175 176.094 -0.049 0.000 1.073 118 V CA -1.090 61.181 62.300 -0.049 0.000 0.921 118 V CB 1.664 33.450 31.823 -0.063 0.000 1.009 118 V HN 0.811 nan 8.190 nan 0.000 0.426 119 K N 3.352 123.712 120.400 -0.067 0.000 2.383 119 K HA 0.410 4.730 4.320 -0.000 0.000 0.286 119 K C 0.708 177.164 176.600 -0.240 0.000 1.051 119 K CA 0.239 56.307 56.287 -0.366 0.000 0.974 119 K CB 0.855 33.149 32.500 -0.342 0.000 0.968 119 K HN 0.902 nan 8.250 nan 0.000 0.475 120 I N 1.760 122.149 120.570 -0.301 0.000 3.883 120 I HA 0.141 4.311 4.170 -0.000 0.000 0.305 120 I C -0.060 176.026 176.117 -0.051 0.000 1.247 120 I CA -0.122 61.040 61.300 -0.229 0.000 1.350 120 I CB 0.460 38.055 38.000 -0.675 0.000 1.194 120 I HN 0.327 nan 8.210 nan 0.000 0.441 121 L N 3.455 124.608 121.223 -0.116 0.000 2.502 121 L HA 0.550 4.890 4.340 -0.000 0.000 0.249 121 L C -2.549 174.236 176.870 -0.142 0.000 1.446 121 L CA -1.623 53.163 54.840 -0.090 0.000 0.887 121 L CB 0.722 42.802 42.059 0.035 0.000 1.126 121 L HN -0.119 nan 8.230 nan 0.000 0.509 122 P HA -0.134 nan 4.420 nan 0.000 0.261 122 P C 0.748 177.992 177.300 -0.094 0.000 1.158 122 P CA 0.536 63.541 63.100 -0.158 0.000 0.758 122 P CB 0.760 32.378 31.700 -0.136 0.000 0.763 123 K N 3.029 123.429 120.400 0.001 0.000 2.113 123 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 123 K C 0.855 177.553 176.600 0.164 0.000 1.047 123 K CA 2.127 58.502 56.287 0.148 0.000 0.928 123 K CB -0.163 32.417 32.500 0.134 0.000 0.716 123 K HN 0.548 nan 8.250 nan 0.000 0.446 124 D N -1.072 119.361 120.400 0.054 0.000 2.328 124 D HA -0.067 4.573 4.640 -0.000 0.000 0.226 124 D C 1.260 177.555 176.300 -0.008 0.000 1.066 124 D CA 0.164 54.192 54.000 0.048 0.000 0.861 124 D CB 0.035 40.851 40.800 0.026 0.000 0.912 124 D HN 0.069 nan 8.370 nan 0.000 0.521 125 R N -0.386 120.041 120.500 -0.121 0.000 2.334 125 R HA 0.165 4.505 4.340 -0.000 0.000 0.220 125 R C -0.323 175.806 176.300 -0.285 0.000 0.917 125 R CA -0.284 55.675 56.100 -0.234 0.000 1.073 125 R CB -0.020 30.074 30.300 -0.344 0.000 1.056 125 R HN 0.177 nan 8.270 nan 0.000 0.506 126 W N 0.693 122.000 121.300 0.011 0.000 1.919 126 W HA 0.136 4.796 4.660 -0.000 0.000 0.347 126 W C 1.331 177.874 176.519 0.040 0.000 0.698 126 W CA -0.478 56.890 57.345 0.038 0.000 2.240 126 W CB 0.637 30.108 29.460 0.019 0.000 2.021 126 W HN 0.063 nan 8.180 nan 0.000 0.527 127 T N -3.103 111.549 114.554 0.162 0.000 2.833 127 T HA -0.271 4.079 4.350 -0.000 0.000 0.269 127 T C 1.370 176.087 174.700 0.028 0.000 1.054 127 T CA 1.215 63.359 62.100 0.073 0.000 1.135 127 T CB 0.037 68.918 68.868 0.021 0.000 0.869 127 T HN 0.350 nan 8.240 nan 0.000 0.466 128 Q N 0.363 120.171 119.800 0.014 0.000 2.444 128 Q HA 0.147 4.487 4.340 -0.000 0.000 0.206 128 Q C -0.300 175.387 176.000 -0.522 0.000 0.948 128 Q CA 0.362 56.030 55.803 -0.224 0.000 0.946 128 Q CB 0.098 28.670 28.738 -0.276 0.000 1.027 128 Q HN 0.763 nan 8.270 nan 0.000 0.513 129 H N -1.845 117.183 119.070 -0.070 0.000 2.928 129 H HA 0.276 4.832 4.556 -0.000 0.000 0.371 129 H C -0.772 174.487 175.328 -0.115 0.000 1.186 129 H CA -0.749 55.188 56.048 -0.185 0.000 1.134 129 H CB 1.522 31.075 29.762 -0.348 0.000 1.824 129 H HN -0.182 nan 8.280 nan 0.000 0.554 130 T N 1.603 116.143 114.554 -0.024 0.000 2.794 130 T HA 0.255 4.605 4.350 -0.000 0.000 0.296 130 T C 0.422 175.078 174.700 -0.074 0.000 0.949 130 T CA -0.390 61.674 62.100 -0.061 0.000 1.101 130 T CB 0.145 68.942 68.868 -0.118 0.000 0.905 130 T HN 0.734 nan 8.240 nan 0.000 0.516 131 T N -1.036 113.497 114.554 -0.035 0.000 3.438 131 T HA 0.361 4.711 4.350 -0.000 0.000 0.244 131 T C 0.971 175.660 174.700 -0.019 0.000 1.269 131 T CA -0.540 61.550 62.100 -0.018 0.000 1.371 131 T CB -0.280 68.637 68.868 0.082 0.000 1.002 131 T HN 0.655 nan 8.240 nan 0.000 0.637 132 T N -3.373 111.127 114.554 -0.091 0.000 3.131 132 T HA 0.382 4.731 4.350 -0.000 0.000 0.283 132 T C 1.170 175.782 174.700 -0.146 0.000 0.906 132 T CA 0.166 62.221 62.100 -0.074 0.000 0.882 132 T CB -0.204 68.627 68.868 -0.061 0.000 1.208 132 T HN 0.573 nan 8.240 nan 0.000 0.561 133 G N 0.525 109.137 108.800 -0.314 0.000 2.313 133 G HA2 0.499 4.459 3.960 -0.000 0.000 0.250 133 G HA3 0.499 4.459 3.960 -0.000 0.000 0.250 133 G C 0.366 175.086 174.900 -0.300 0.000 1.281 133 G CA 0.127 44.910 45.100 -0.528 0.000 0.917 133 G HN 0.624 nan 8.290 nan 0.000 0.501 134 G N -0.251 108.474 108.800 -0.124 0.000 3.212 134 G HA2 0.738 4.698 3.960 -0.000 0.000 0.188 134 G HA3 0.738 4.698 3.960 -0.000 0.000 0.188 134 G C -0.648 174.424 174.900 0.287 0.000 1.254 134 G CA 0.119 45.324 45.100 0.175 0.000 0.957 134 G HN 1.227 nan 8.290 nan 0.000 0.596 135 S N -2.773 113.109 115.700 0.302 0.000 2.611 135 S HA 0.273 4.743 4.470 -0.000 0.000 0.270 135 S C 0.199 174.911 174.600 0.186 0.000 1.131 135 S CA -0.341 58.039 58.200 0.299 0.000 0.826 135 S CB 1.464 64.999 63.200 0.559 0.000 1.095 135 S HN 0.376 nan 8.310 nan 0.000 0.461 136 Q N 1.435 121.315 119.800 0.134 0.000 2.170 136 Q HA 0.096 4.436 4.340 -0.000 0.000 0.203 136 Q C 2.047 178.082 176.000 0.058 0.000 0.976 136 Q CA 2.180 58.029 55.803 0.077 0.000 0.858 136 Q CB -0.727 28.043 28.738 0.053 0.000 0.907 136 Q HN 0.854 nan 8.270 nan 0.000 0.433 137 G N -0.648 108.194 108.800 0.071 0.000 2.476 137 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 137 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 137 G C 0.732 175.637 174.900 0.007 0.000 1.164 137 G CA 1.169 46.279 45.100 0.017 0.000 0.768 137 G HN 0.452 nan 8.290 nan 0.000 0.560 138 c N 1.845 120.463 118.600 0.030 0.000 2.361 138 c HA 0.760 5.330 4.570 -0.000 0.000 0.336 138 c C 1.268 175.347 174.090 -0.018 0.000 1.406 138 c CA -1.170 55.124 56.329 -0.058 0.000 1.763 138 c CB -1.548 40.861 42.510 -0.168 0.000 2.761 138 c HN 0.604 nan 8.230 nan 0.000 0.566 139 A N 0.683 123.501 122.820 -0.004 0.000 2.477 139 A HA 0.470 4.790 4.320 -0.000 0.000 0.246 139 A C 0.924 178.481 177.584 -0.045 0.000 1.078 139 A CA 0.295 52.333 52.037 0.002 0.000 0.770 139 A CB 0.473 19.481 19.000 0.014 0.000 1.011 139 A HN 0.366 nan 8.150 nan 0.000 0.494 140 V N 1.322 121.211 119.914 -0.043 0.000 2.693 140 V HA 0.138 4.258 4.120 -0.000 0.000 0.223 140 V C 0.606 176.592 176.094 -0.179 0.000 1.131 140 V CA 0.855 63.062 62.300 -0.155 0.000 1.177 140 V CB -0.456 31.302 31.823 -0.109 0.000 0.852 140 V HN 0.802 nan 8.190 nan 0.000 0.507 141 F N 0.822 120.785 119.950 0.023 0.000 2.850 141 F HA 0.406 4.933 4.527 0.000 0.000 0.329 141 F C -0.617 175.193 175.800 0.016 0.000 1.182 141 F CA -1.303 56.708 58.000 0.019 0.000 1.270 141 F CB -0.018 38.993 39.000 0.019 0.000 0.979 141 F HN 0.239 nan 8.300 nan 0.000 0.506 142 D N 0.145 120.659 120.400 0.190 0.000 2.432 142 D HA 0.225 4.864 4.640 -0.000 0.000 0.265 142 D C -0.429 175.922 176.300 0.084 0.000 1.160 142 D CA -0.213 53.856 54.000 0.114 0.000 0.911 142 D CB 0.292 41.138 40.800 0.077 0.000 1.052 142 D HN 0.173 nan 8.370 nan 0.000 0.508 143 N N 1.507 120.260 118.700 0.087 0.000 2.472 143 N HA 0.409 5.149 4.740 -0.000 0.000 0.289 143 N C -2.570 172.977 175.510 0.062 0.000 1.156 143 N CA -1.970 51.121 53.050 0.070 0.000 0.940 143 N CB 1.293 39.825 38.487 0.074 0.000 1.200 143 N HN -0.055 nan 8.380 nan 0.000 0.511 144 P HA -0.038 nan 4.420 nan 0.000 0.258 144 P C -0.682 176.674 177.300 0.093 0.000 1.172 144 P CA 0.758 63.904 63.100 0.076 0.000 0.762 144 P CB 0.591 32.323 31.700 0.054 0.000 0.764 145 S N 2.813 118.586 115.700 0.122 0.000 2.911 145 S HA 0.832 5.302 4.470 -0.000 0.000 0.319 145 S C -1.613 173.145 174.600 0.263 0.000 1.154 145 S CA -0.424 57.864 58.200 0.148 0.000 0.857 145 S CB 0.621 63.868 63.200 0.077 0.000 1.279 145 S HN 0.213 nan 8.310 nan 0.000 0.593 146 F N 0.108 120.053 119.950 -0.010 0.000 2.779 146 F HA 0.585 5.112 4.527 -0.000 0.000 0.316 146 F C -1.661 174.080 175.800 -0.098 0.000 1.164 146 F CA -1.507 56.451 58.000 -0.070 0.000 0.924 146 F CB 0.721 39.793 39.000 0.121 0.000 1.348 146 F HN 0.555 nan 8.300 nan 0.000 0.467 147 F N 4.437 124.051 119.950 -0.559 0.000 2.571 147 F HA 0.152 4.679 4.527 0.000 0.000 0.390 147 F C 1.651 177.420 175.800 -0.051 0.000 1.043 147 F CA 0.004 57.797 58.000 -0.344 0.000 1.164 147 F CB 0.092 38.771 39.000 -0.535 0.000 1.049 147 F HN 0.262 nan 8.300 nan 0.000 0.552 148 R N 1.951 122.541 120.500 0.151 0.000 2.139 148 R HA -0.198 4.142 4.340 -0.000 0.000 0.243 148 R C 1.098 177.513 176.300 0.191 0.000 1.145 148 R CA 1.147 57.337 56.100 0.150 0.000 0.976 148 R CB -0.416 29.929 30.300 0.076 0.000 0.866 148 R HN 0.556 nan 8.270 nan 0.000 0.449 149 N N -0.460 118.343 118.700 0.172 0.000 2.353 149 N HA 0.060 4.800 4.740 -0.000 0.000 0.185 149 N C 0.161 175.845 175.510 0.290 0.000 1.098 149 N CA 0.465 53.651 53.050 0.227 0.000 0.872 149 N CB 0.333 38.888 38.487 0.113 0.000 0.970 149 N HN 0.079 nan 8.380 nan 0.000 0.467 150 M N 0.153 119.929 119.600 0.294 0.000 2.664 150 M HA 0.424 4.904 4.480 -0.000 0.000 0.314 150 M C -0.480 176.095 176.300 0.457 0.000 1.200 150 M CA -0.946 54.558 55.300 0.341 0.000 0.916 150 M CB 2.069 34.874 32.600 0.343 0.000 1.717 150 M HN -0.434 nan 8.290 nan 0.000 0.470 151 V N 1.491 121.616 119.914 0.352 0.000 2.409 151 V HA 0.258 4.378 4.120 -0.000 0.000 0.290 151 V C -1.239 174.936 176.094 0.134 0.000 1.017 151 V CA -0.679 61.767 62.300 0.243 0.000 0.841 151 V CB 1.912 33.835 31.823 0.166 0.000 1.003 151 V HN 0.848 nan 8.190 nan 0.000 0.426 152 W N 7.180 128.353 121.300 -0.212 0.000 2.497 152 W HA 0.427 5.087 4.660 -0.000 0.000 0.354 152 W C -0.361 175.983 176.519 -0.293 0.000 1.111 152 W CA -1.377 55.722 57.345 -0.409 0.000 1.510 152 W CB 0.339 29.263 29.460 -0.894 0.000 1.466 152 W HN 0.430 nan 8.180 nan 0.000 0.409 153 L N 7.175 128.463 121.223 0.108 0.000 2.418 153 L HA 0.179 4.519 4.340 -0.000 0.000 0.274 153 L C 0.986 177.975 176.870 0.200 0.000 1.135 153 L CA 0.304 55.107 54.840 -0.062 0.000 0.870 153 L CB 0.061 41.891 42.059 -0.381 0.000 1.154 153 L HN 0.257 nan 8.230 nan 0.000 0.462 154 T N -0.053 114.510 114.554 0.015 0.000 2.930 154 T HA 0.388 4.738 4.350 -0.000 0.000 0.290 154 T C -0.365 174.386 174.700 0.086 0.000 1.052 154 T CA -1.240 60.886 62.100 0.043 0.000 1.017 154 T CB 1.894 70.573 68.868 -0.316 0.000 1.137 154 T HN 0.562 nan 8.240 nan 0.000 0.511 155 K N 0.747 121.263 120.400 0.193 0.000 2.448 155 K HA 0.168 4.488 4.320 -0.000 0.000 0.278 155 K C -0.275 176.302 176.600 -0.039 0.000 1.009 155 K CA -0.554 55.814 56.287 0.135 0.000 0.995 155 K CB 0.548 33.149 32.500 0.168 0.000 0.917 155 K HN 0.709 nan 8.250 nan 0.000 0.481 156 K N 2.731 123.073 120.400 -0.096 0.000 2.234 156 K HA 0.215 4.535 4.320 -0.000 0.000 0.277 156 K C 0.679 177.231 176.600 -0.079 0.000 1.038 156 K CA 0.359 56.582 56.287 -0.106 0.000 0.888 156 K CB 0.731 33.141 32.500 -0.150 0.000 1.091 156 K HN 0.875 nan 8.250 nan 0.000 0.467 157 G N 2.897 111.657 108.800 -0.066 0.000 3.581 157 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.336 157 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.336 157 G C 0.330 175.205 174.900 -0.043 0.000 1.259 157 G CA 0.540 45.609 45.100 -0.052 0.000 1.001 157 G HN 0.620 nan 8.290 nan 0.000 0.662 158 S N 1.065 116.747 115.700 -0.031 0.000 2.828 158 S HA 0.396 4.866 4.470 -0.000 0.000 0.240 158 S C -0.513 174.090 174.600 0.005 0.000 0.912 158 S CA -0.044 58.148 58.200 -0.013 0.000 1.100 158 S CB -0.090 63.103 63.200 -0.012 0.000 1.271 158 S HN 0.715 nan 8.310 nan 0.000 0.476 159 N N 0.703 119.402 118.700 -0.001 0.000 2.500 159 N HA 0.256 4.996 4.740 -0.000 0.000 0.291 159 N C -1.907 173.617 175.510 0.024 0.000 1.092 159 N CA -0.196 52.862 53.050 0.013 0.000 0.890 159 N CB 1.256 39.725 38.487 -0.029 0.000 1.466 159 N HN 0.303 nan 8.380 nan 0.000 0.507 160 Y N 5.073 125.382 120.300 0.015 0.000 2.804 160 Y HA 0.372 4.922 4.550 -0.000 0.000 0.330 160 Y C -2.138 173.822 175.900 0.100 0.000 1.092 160 Y CA -1.598 56.559 58.100 0.094 0.000 1.315 160 Y CB 0.582 39.129 38.460 0.145 0.000 1.188 160 Y HN 0.462 nan 8.280 nan 0.000 0.512 161 P HA -0.020 nan 4.420 nan 0.000 0.272 161 P C -0.539 176.960 177.300 0.332 0.000 1.240 161 P CA -0.279 62.881 63.100 0.100 0.000 0.791 161 P CB 0.771 32.407 31.700 -0.107 0.000 0.978 162 V N 1.067 121.125 119.914 0.239 0.000 2.583 162 V HA 0.051 4.171 4.120 -0.000 0.000 0.302 162 V C 0.846 177.111 176.094 0.285 0.000 1.033 162 V CA 0.584 63.023 62.300 0.232 0.000 1.194 162 V CB -0.802 31.127 31.823 0.177 0.000 0.879 162 V HN 0.663 nan 8.190 nan 0.000 0.482 163 A N 7.456 130.400 122.820 0.207 0.000 2.320 163 A HA 0.582 4.902 4.320 -0.000 0.000 0.287 163 A C 0.148 177.886 177.584 0.256 0.000 1.181 163 A CA -0.433 51.675 52.037 0.118 0.000 0.831 163 A CB 0.263 19.068 19.000 -0.326 0.000 1.102 163 A HN 0.814 nan 8.150 nan 0.000 0.513 164 K N 1.734 122.387 120.400 0.422 0.000 2.471 164 K HA 0.604 4.924 4.320 -0.000 0.000 0.252 164 K C -0.354 176.440 176.600 0.323 0.000 0.938 164 K CA -0.420 56.064 56.287 0.329 0.000 0.796 164 K CB 2.603 35.221 32.500 0.198 0.000 1.161 164 K HN 0.878 nan 8.250 nan 0.000 0.425 165 G N 0.436 109.441 108.800 0.342 0.000 2.659 165 G HA2 0.642 4.602 3.960 -0.000 0.000 0.296 165 G HA3 0.642 4.602 3.960 -0.000 0.000 0.296 165 G C -1.255 173.784 174.900 0.232 0.000 1.369 165 G CA -0.612 44.612 45.100 0.207 0.000 0.937 165 G HN 0.523 nan 8.290 nan 0.000 0.485 166 S N -0.721 115.069 115.700 0.150 0.000 2.552 166 S HA 0.724 5.194 4.470 -0.000 0.000 0.272 166 S C -1.777 172.930 174.600 0.177 0.000 1.150 166 S CA -0.880 57.407 58.200 0.145 0.000 0.849 166 S CB 1.834 65.073 63.200 0.064 0.000 1.113 166 S HN 1.616 nan 8.310 nan 0.000 0.458 167 Y N 1.847 122.168 120.300 0.035 0.000 2.433 167 Y HA 0.621 5.171 4.550 -0.000 0.000 0.337 167 Y C -1.356 174.558 175.900 0.024 0.000 1.026 167 Y CA -0.607 57.511 58.100 0.030 0.000 1.037 167 Y CB 1.703 40.195 38.460 0.054 0.000 1.245 167 Y HN 0.895 nan 8.280 nan 0.000 0.443 168 N N 4.291 122.624 118.700 -0.612 0.000 2.425 168 N HA 0.115 4.855 4.740 -0.000 0.000 0.268 168 N C -1.144 173.938 175.510 -0.714 0.000 0.991 168 N CA -0.285 52.511 53.050 -0.423 0.000 0.931 168 N CB 0.907 39.267 38.487 -0.211 0.000 1.130 168 N HN 0.811 nan 8.380 nan 0.000 0.493 169 N N 2.016 120.594 118.700 -0.204 0.000 2.605 169 N HA -0.018 4.722 4.740 -0.000 0.000 0.282 169 N C 0.354 175.781 175.510 -0.138 0.000 1.206 169 N CA 0.080 53.124 53.050 -0.009 0.000 1.074 169 N CB -0.058 38.483 38.487 0.091 0.000 1.434 169 N HN 0.481 nan 8.380 nan 0.000 0.506 170 T N -1.957 112.526 114.554 -0.117 0.000 3.244 170 T HA 0.031 4.381 4.350 -0.000 0.000 0.254 170 T C 1.368 176.017 174.700 -0.085 0.000 1.024 170 T CA 0.037 62.148 62.100 0.018 0.000 0.920 170 T CB -0.346 68.626 68.868 0.172 0.000 1.042 170 T HN 0.277 nan 8.240 nan 0.000 0.572 171 S N 0.220 115.844 115.700 -0.127 0.000 2.527 171 S HA 0.405 4.875 4.470 -0.000 0.000 0.222 171 S C 2.106 176.628 174.600 -0.131 0.000 0.985 171 S CA 0.403 58.572 58.200 -0.053 0.000 0.921 171 S CB -0.560 62.657 63.200 0.029 0.000 0.772 171 S HN 1.108 nan 8.310 nan 0.000 0.529 172 G N 0.045 108.636 108.800 -0.347 0.000 2.241 172 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 172 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 172 G C -0.093 174.674 174.900 -0.221 0.000 0.998 172 G CA 0.299 45.219 45.100 -0.300 0.000 0.621 172 G HN 0.704 nan 8.290 nan 0.000 0.519 173 E N 0.275 120.377 120.200 -0.163 0.000 2.367 173 E HA 0.619 4.969 4.350 -0.000 0.000 0.273 173 E C 0.216 176.764 176.600 -0.086 0.000 0.903 173 E CA -0.638 55.705 56.400 -0.095 0.000 0.764 173 E CB 0.934 30.624 29.700 -0.016 0.000 1.252 173 E HN 0.366 nan 8.360 nan 0.000 0.446 174 Q N 1.551 121.321 119.800 -0.050 0.000 2.354 174 Q HA 0.041 4.381 4.340 -0.000 0.000 0.310 174 Q C -0.390 175.621 176.000 0.018 0.000 1.104 174 Q CA 0.935 56.734 55.803 -0.006 0.000 0.968 174 Q CB 0.483 29.241 28.738 0.033 0.000 1.251 174 Q HN 0.493 nan 8.270 nan 0.000 0.411 175 M N 2.802 122.436 119.600 0.056 0.000 2.327 175 M HA 0.350 4.830 4.480 -0.000 0.000 0.298 175 M C -1.767 174.622 176.300 0.150 0.000 1.065 175 M CA -1.074 54.267 55.300 0.067 0.000 0.916 175 M CB 1.235 33.858 32.600 0.039 0.000 1.630 175 M HN 0.583 nan 8.290 nan 0.000 0.442 176 L N 6.689 128.024 121.223 0.187 0.000 2.319 176 L HA 0.601 4.941 4.340 -0.000 0.000 0.280 176 L C -1.574 175.497 176.870 0.336 0.000 1.099 176 L CA 0.312 55.321 54.840 0.282 0.000 0.828 176 L CB 0.487 42.689 42.059 0.238 0.000 1.150 176 L HN 0.674 nan 8.230 nan 0.000 0.442 177 I N 6.352 127.156 120.570 0.391 0.000 2.533 177 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 177 I C -0.696 175.738 176.117 0.529 0.000 1.056 177 I CA -0.512 61.041 61.300 0.422 0.000 1.057 177 I CB 1.913 40.146 38.000 0.389 0.000 1.240 177 I HN 0.509 nan 8.210 nan 0.000 0.423 178 I N 4.958 125.806 120.570 0.463 0.000 2.474 178 I HA 0.491 4.661 4.170 -0.000 0.000 0.294 178 I C -1.118 175.252 176.117 0.421 0.000 1.005 178 I CA -0.540 60.966 61.300 0.343 0.000 1.113 178 I CB 1.762 39.871 38.000 0.182 0.000 1.289 178 I HN 0.661 nan 8.210 nan 0.000 0.436 179 W N 4.076 125.494 121.300 0.197 0.000 3.031 179 W HA 0.884 5.544 4.660 -0.000 0.000 0.337 179 W C -0.831 175.698 176.519 0.017 0.000 1.187 179 W CA -1.010 56.401 57.345 0.109 0.000 1.166 179 W CB 0.859 30.423 29.460 0.172 0.000 1.437 179 W HN 0.546 nan 8.180 nan 0.000 0.551 180 G N 0.362 109.198 108.800 0.058 0.000 2.511 180 G HA2 0.699 4.659 3.960 -0.000 0.000 0.318 180 G HA3 0.699 4.659 3.960 -0.000 0.000 0.318 180 G C -2.204 172.525 174.900 -0.285 0.000 1.210 180 G CA -1.163 43.666 45.100 -0.451 0.000 0.969 180 G HN 0.693 nan 8.290 nan 0.000 0.484 181 V N 0.827 120.457 119.914 -0.475 0.000 2.569 181 V HA 0.277 4.397 4.120 -0.000 0.000 0.301 181 V C -0.858 174.850 176.094 -0.643 0.000 1.044 181 V CA -0.788 61.252 62.300 -0.433 0.000 0.874 181 V CB 1.462 33.092 31.823 -0.321 0.000 1.002 181 V HN 0.979 nan 8.190 nan 0.000 0.424 182 H N 4.635 123.333 119.070 -0.620 0.000 2.548 182 H HA 0.475 5.031 4.556 -0.000 0.000 0.331 182 H C -0.516 174.536 175.328 -0.461 0.000 1.093 182 H CA -0.125 55.625 56.048 -0.496 0.000 1.367 182 H CB 0.687 30.279 29.762 -0.284 0.000 1.455 182 H HN 0.669 nan 8.280 nan 0.000 0.519 183 H N 6.626 125.335 119.070 -0.602 0.000 2.718 183 H HA 0.234 4.790 4.556 -0.000 0.000 0.295 183 H C -2.466 172.608 175.328 -0.424 0.000 1.051 183 H CA -2.147 53.679 56.048 -0.370 0.000 1.260 183 H CB 0.967 30.614 29.762 -0.191 0.000 1.403 183 H HN 0.646 nan 8.280 nan 0.000 0.488 184 P HA 0.139 nan 4.420 nan 0.000 0.276 184 P C 0.564 177.922 177.300 0.097 0.000 1.261 184 P CA -0.433 62.719 63.100 0.087 0.000 0.800 184 P CB 1.386 33.267 31.700 0.302 0.000 1.066 185 N N -0.379 118.397 118.700 0.127 0.000 2.216 185 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 185 N C -0.030 175.523 175.510 0.070 0.000 1.017 185 N CA 1.277 54.380 53.050 0.088 0.000 0.861 185 N CB -0.216 38.326 38.487 0.092 0.000 0.986 185 N HN 0.614 nan 8.380 nan 0.000 0.428 186 D N -2.091 118.357 120.400 0.080 0.000 2.652 186 D HA 0.225 4.865 4.640 -0.000 0.000 0.285 186 D C 0.137 176.478 176.300 0.068 0.000 1.173 186 D CA -0.667 53.370 54.000 0.062 0.000 0.981 186 D CB 0.621 41.452 40.800 0.050 0.000 1.440 186 D HN -0.302 nan 8.370 nan 0.000 0.485 187 E N -0.384 119.848 120.200 0.053 0.000 2.153 187 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 187 E C 1.866 178.497 176.600 0.053 0.000 0.988 187 E CA 1.993 58.425 56.400 0.053 0.000 0.811 187 E CB -0.404 29.320 29.700 0.039 0.000 0.746 187 E HN 0.711 nan 8.360 nan 0.000 0.466 188 T N -0.751 113.829 114.554 0.044 0.000 2.812 188 T HA -0.124 4.226 4.350 -0.000 0.000 0.264 188 T C 1.872 176.591 174.700 0.031 0.000 1.042 188 T CA 1.386 63.505 62.100 0.032 0.000 1.140 188 T CB 0.005 68.886 68.868 0.022 0.000 0.870 188 T HN 0.153 nan 8.240 nan 0.000 0.445 189 E N 0.234 120.465 120.200 0.051 0.000 2.118 189 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 189 E C 2.341 178.976 176.600 0.060 0.000 0.992 189 E CA 1.523 57.958 56.400 0.058 0.000 0.804 189 E CB -0.213 29.558 29.700 0.119 0.000 0.741 189 E HN 0.627 nan 8.360 nan 0.000 0.458 190 Q N 0.881 120.748 119.800 0.112 0.000 2.061 190 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 190 Q C 2.042 178.099 176.000 0.095 0.000 0.984 190 Q CA 1.985 57.891 55.803 0.172 0.000 0.846 190 Q CB -0.055 28.776 28.738 0.154 0.000 0.902 190 Q HN 0.207 nan 8.270 nan 0.000 0.421 191 R N -0.969 119.558 120.500 0.044 0.000 2.062 191 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 191 R C 2.383 178.662 176.300 -0.035 0.000 1.128 191 R CA 1.628 57.739 56.100 0.017 0.000 0.960 191 R CB -0.556 29.755 30.300 0.019 0.000 0.855 191 R HN 0.303 nan 8.270 nan 0.000 0.432 192 T N 1.645 116.166 114.554 -0.054 0.000 2.721 192 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 192 T C 1.799 176.387 174.700 -0.185 0.000 1.038 192 T CA 1.256 63.299 62.100 -0.095 0.000 1.145 192 T CB -0.063 68.754 68.868 -0.085 0.000 0.858 192 T HN 0.155 nan 8.240 nan 0.000 0.459 193 L N -1.733 119.304 121.223 -0.310 0.000 2.269 193 L HA 0.180 4.520 4.340 -0.000 0.000 0.200 193 L C 1.216 177.705 176.870 -0.635 0.000 1.069 193 L CA 0.758 55.203 54.840 -0.657 0.000 0.804 193 L CB 0.154 41.524 42.059 -1.148 0.000 0.987 193 L HN 0.245 nan 8.230 nan 0.000 0.468 194 Y N -1.322 118.963 120.300 -0.026 0.000 2.641 194 Y HA 0.257 4.807 4.550 0.000 0.000 0.248 194 Y C 1.247 177.110 175.900 -0.060 0.000 1.170 194 Y CA -0.371 57.664 58.100 -0.109 0.000 1.201 194 Y CB 0.298 38.534 38.460 -0.373 0.000 1.232 194 Y HN 0.085 nan 8.280 nan 0.000 0.537 195 Q N 1.342 121.183 119.800 0.068 0.000 1.914 195 Q HA -0.317 4.023 4.340 -0.000 0.000 0.217 195 Q C -0.476 175.557 176.000 0.055 0.000 2.819 195 Q CA 2.258 58.098 55.803 0.062 0.000 0.438 195 Q CB -1.462 27.334 28.738 0.097 0.000 0.787 195 Q HN 0.640 nan 8.270 nan 0.000 0.466 196 N N 1.266 119.998 118.700 0.053 0.000 2.488 196 N HA 0.428 5.168 4.740 -0.000 0.000 0.274 196 N C -0.276 175.251 175.510 0.027 0.000 1.111 196 N CA 0.243 53.316 53.050 0.038 0.000 0.974 196 N CB 1.089 39.600 38.487 0.039 0.000 1.089 196 N HN 0.300 nan 8.380 nan 0.000 0.465 197 V N 0.714 120.650 119.914 0.036 0.000 3.133 197 V HA 0.460 4.580 4.120 -0.000 0.000 0.305 197 V C 1.557 177.670 176.094 0.032 0.000 1.084 197 V CA 0.312 62.634 62.300 0.037 0.000 1.089 197 V CB 0.493 32.341 31.823 0.041 0.000 1.073 197 V HN 1.032 nan 8.190 nan 0.000 0.477 198 G N 1.511 110.331 108.800 0.034 0.000 2.221 198 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.265 198 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.265 198 G C 0.304 175.241 174.900 0.062 0.000 1.041 198 G CA 0.248 45.378 45.100 0.049 0.000 0.807 198 G HN 1.453 nan 8.290 nan 0.000 0.502 199 A N -0.505 122.312 122.820 -0.005 0.000 2.327 199 A HA 0.827 5.147 4.320 -0.000 0.000 0.255 199 A C 0.029 177.606 177.584 -0.011 0.000 1.099 199 A CA 0.563 52.544 52.037 -0.094 0.000 0.801 199 A CB 0.486 19.325 19.000 -0.267 0.000 1.062 199 A HN 1.901 nan 8.150 nan 0.000 0.496 200 Y N -3.033 117.209 120.300 -0.098 0.000 2.597 200 Y HA 0.678 5.228 4.550 0.000 0.000 0.340 200 Y C -1.197 174.654 175.900 -0.080 0.000 1.097 200 Y CA -1.450 56.609 58.100 -0.069 0.000 1.037 200 Y CB 1.079 39.520 38.460 -0.032 0.000 1.305 200 Y HN 0.399 nan 8.280 nan 0.000 0.463 201 V N 2.714 122.704 119.914 0.126 0.000 2.483 201 V HA 0.628 4.748 4.120 -0.000 0.000 0.297 201 V C -0.867 175.347 176.094 0.200 0.000 1.027 201 V CA -0.411 61.938 62.300 0.081 0.000 0.855 201 V CB 1.597 33.429 31.823 0.015 0.000 0.995 201 V HN 0.925 nan 8.190 nan 0.000 0.424 202 S N 4.282 120.102 115.700 0.200 0.000 2.659 202 S HA 0.799 5.269 4.470 -0.000 0.000 0.312 202 S C -0.924 173.630 174.600 -0.076 0.000 1.114 202 S CA -0.639 57.615 58.200 0.090 0.000 1.063 202 S CB 1.543 64.814 63.200 0.118 0.000 0.996 202 S HN 0.380 nan 8.310 nan 0.000 0.478 203 V N 2.388 122.153 119.914 -0.249 0.000 2.713 203 V HA 0.944 5.064 4.120 -0.000 0.000 0.307 203 V C 0.755 176.629 176.094 -0.367 0.000 1.052 203 V CA -0.268 61.697 62.300 -0.558 0.000 0.967 203 V CB 1.723 32.853 31.823 -1.155 0.000 1.019 203 V HN 1.187 nan 8.190 nan 0.000 0.459 204 G N 1.122 109.690 108.800 -0.387 0.000 2.753 204 G HA2 0.687 4.647 3.960 -0.000 0.000 0.295 204 G HA3 0.687 4.647 3.960 -0.000 0.000 0.295 204 G C -0.680 174.106 174.900 -0.191 0.000 1.437 204 G CA 0.193 45.161 45.100 -0.219 0.000 1.094 204 G HN 0.957 nan 8.290 nan 0.000 0.540 205 T N -2.059 112.426 114.554 -0.115 0.000 2.591 205 T HA 0.559 4.909 4.350 -0.000 0.000 0.274 205 T C 1.358 176.040 174.700 -0.031 0.000 0.945 205 T CA 0.293 62.354 62.100 -0.064 0.000 1.087 205 T CB 1.104 69.948 68.868 -0.039 0.000 1.416 205 T HN 0.309 nan 8.240 nan 0.000 0.514 206 S N 0.508 116.205 115.700 -0.005 0.000 2.453 206 S HA 0.032 4.502 4.470 -0.000 0.000 0.231 206 S C 1.854 176.457 174.600 0.005 0.000 1.005 206 S CA 1.372 59.575 58.200 0.005 0.000 0.949 206 S CB -0.571 62.642 63.200 0.022 0.000 0.774 206 S HN 0.985 nan 8.310 nan 0.000 0.510 207 T N -1.664 112.893 114.554 0.005 0.000 2.954 207 T HA 0.363 4.713 4.350 -0.000 0.000 0.252 207 T C 0.148 174.848 174.700 0.001 0.000 0.983 207 T CA -0.360 61.745 62.100 0.008 0.000 0.941 207 T CB -0.193 68.687 68.868 0.019 0.000 1.141 207 T HN 0.152 nan 8.240 nan 0.000 0.500 208 L N 2.665 123.884 121.223 -0.007 0.000 2.307 208 L HA 0.771 5.111 4.340 -0.000 0.000 0.282 208 L C -1.057 175.795 176.870 -0.030 0.000 1.051 208 L CA -0.497 54.339 54.840 -0.008 0.000 0.804 208 L CB 1.382 43.442 42.059 0.002 0.000 1.197 208 L HN 0.337 nan 8.230 nan 0.000 0.431 209 N N 3.654 122.345 118.700 -0.015 0.000 2.519 209 N HA 0.508 5.248 4.740 -0.000 0.000 0.291 209 N C -1.779 173.730 175.510 -0.002 0.000 1.107 209 N CA -0.620 52.414 53.050 -0.026 0.000 0.904 209 N CB 0.986 39.459 38.487 -0.024 0.000 1.500 209 N HN 0.646 nan 8.380 nan 0.000 0.510 210 K N 2.479 122.877 120.400 -0.004 0.000 2.561 210 K HA 0.427 4.747 4.320 -0.000 0.000 0.254 210 K C -1.773 174.848 176.600 0.035 0.000 0.942 210 K CA -0.692 55.619 56.287 0.041 0.000 0.818 210 K CB 1.448 34.022 32.500 0.123 0.000 1.306 210 K HN 0.556 nan 8.250 nan 0.000 0.435 211 R N 2.121 122.646 120.500 0.042 0.000 2.513 211 R HA 0.445 4.785 4.340 -0.000 0.000 0.301 211 R C -1.392 174.958 176.300 0.085 0.000 0.968 211 R CA -0.379 55.753 56.100 0.053 0.000 0.872 211 R CB 1.982 32.274 30.300 -0.014 0.000 1.177 211 R HN 0.553 nan 8.270 nan 0.000 0.444 212 S N 4.268 120.042 115.700 0.123 0.000 2.482 212 S HA 0.550 5.020 4.470 -0.000 0.000 0.303 212 S C -0.909 173.754 174.600 0.106 0.000 1.091 212 S CA -0.668 57.600 58.200 0.114 0.000 1.057 212 S CB 1.136 64.412 63.200 0.128 0.000 1.031 212 S HN 0.430 nan 8.310 nan 0.000 0.485 213 L N 3.384 124.663 121.223 0.092 0.000 2.329 213 L HA 0.491 4.831 4.340 -0.000 0.000 0.279 213 L C -2.472 174.457 176.870 0.099 0.000 1.014 213 L CA -2.437 52.451 54.840 0.079 0.000 0.814 213 L CB 1.196 43.295 42.059 0.068 0.000 1.257 213 L HN 0.349 nan 8.230 nan 0.000 0.424 214 P HA 0.046 nan 4.420 nan 0.000 0.263 214 P C -1.001 176.415 177.300 0.194 0.000 1.195 214 P CA 0.093 63.295 63.100 0.169 0.000 0.762 214 P CB 0.351 32.075 31.700 0.041 0.000 0.799 215 E N 3.214 123.545 120.200 0.218 0.000 2.115 215 E HA 0.338 4.688 4.350 -0.000 0.000 0.282 215 E C -0.090 176.473 176.600 -0.061 0.000 0.987 215 E CA -0.390 55.978 56.400 -0.053 0.000 0.797 215 E CB 0.777 30.331 29.700 -0.243 0.000 1.086 215 E HN 0.398 nan 8.360 nan 0.000 0.397 216 I N 2.330 122.897 120.570 -0.004 0.000 2.460 216 I HA 0.690 4.860 4.170 -0.000 0.000 0.298 216 I C -0.105 176.008 176.117 -0.007 0.000 0.989 216 I CA -0.620 60.688 61.300 0.015 0.000 1.173 216 I CB 1.687 39.714 38.000 0.045 0.000 1.338 216 I HN 0.533 nan 8.210 nan 0.000 0.456 217 A N 2.858 125.678 122.820 -0.000 0.000 2.599 217 A HA 0.562 4.882 4.320 -0.000 0.000 0.294 217 A C -0.754 176.837 177.584 0.011 0.000 1.055 217 A CA -0.608 51.428 52.037 -0.002 0.000 0.683 217 A CB 1.224 20.212 19.000 -0.021 0.000 1.278 217 A HN 0.563 nan 8.150 nan 0.000 0.412 218 T N 2.660 117.221 114.554 0.012 0.000 2.738 218 T HA 0.461 4.811 4.350 -0.000 0.000 0.293 218 T C 0.203 174.910 174.700 0.013 0.000 0.913 218 T CA 0.137 62.247 62.100 0.017 0.000 1.103 218 T CB -0.348 68.529 68.868 0.016 0.000 0.880 218 T HN 0.590 nan 8.240 nan 0.000 0.526 219 R N 2.937 123.448 120.500 0.017 0.000 2.832 219 R HA 0.621 4.961 4.340 -0.000 0.000 0.271 219 R C -2.585 173.724 176.300 0.014 0.000 0.996 219 R CA -2.135 53.974 56.100 0.014 0.000 0.977 219 R CB 0.203 30.512 30.300 0.015 0.000 1.168 219 R HN 0.334 nan 8.270 nan 0.000 0.482 220 P HA 0.057 nan 4.420 nan 0.000 0.275 220 P C -0.930 176.373 177.300 0.006 0.000 1.270 220 P CA -0.460 62.645 63.100 0.008 0.000 0.791 220 P CB 0.474 32.178 31.700 0.006 0.000 1.089 221 E N -0.419 119.782 120.200 0.002 0.000 2.174 221 E HA 0.365 4.715 4.350 -0.000 0.000 0.282 221 E C -1.069 175.522 176.600 -0.014 0.000 0.992 221 E CA -0.586 55.810 56.400 -0.006 0.000 0.803 221 E CB 1.037 30.736 29.700 -0.002 0.000 1.090 221 E HN 0.032 nan 8.360 nan 0.000 0.396 222 V N 4.503 124.398 119.914 -0.031 0.000 2.376 222 V HA 0.110 4.230 4.120 -0.000 0.000 0.287 222 V C -0.323 175.734 176.094 -0.061 0.000 1.015 222 V CA -0.851 61.428 62.300 -0.034 0.000 0.834 222 V CB 1.006 32.813 31.823 -0.027 0.000 1.001 222 V HN 0.785 nan 8.190 nan 0.000 0.428 223 N N 3.784 122.459 118.700 -0.041 0.000 2.735 223 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 223 N C 1.153 176.632 175.510 -0.051 0.000 1.083 223 N CA 1.548 54.570 53.050 -0.046 0.000 0.703 223 N CB -1.215 37.233 38.487 -0.064 0.000 1.005 223 N HN 1.477 nan 8.380 nan 0.000 0.550 224 G N -1.897 106.883 108.800 -0.034 0.000 2.187 224 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.261 224 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.261 224 G C -0.271 174.612 174.900 -0.029 0.000 1.000 224 G CA 0.732 45.820 45.100 -0.019 0.000 0.718 224 G HN 0.456 nan 8.290 nan 0.000 0.519 225 Q N -1.029 118.726 119.800 -0.075 0.000 2.342 225 Q HA 0.633 4.973 4.340 -0.000 0.000 0.267 225 Q C 1.074 177.044 176.000 -0.050 0.000 1.038 225 Q CA 0.007 55.750 55.803 -0.100 0.000 0.832 225 Q CB 1.559 30.087 28.738 -0.351 0.000 1.323 225 Q HN 0.337 nan 8.270 nan 0.000 0.448 226 G N 0.980 109.793 108.800 0.022 0.000 2.762 226 G HA2 0.152 4.112 3.960 -0.000 0.000 0.209 226 G HA3 0.152 4.112 3.960 -0.000 0.000 0.209 226 G C 0.622 175.571 174.900 0.082 0.000 1.134 226 G CA 0.387 45.514 45.100 0.045 0.000 0.781 226 G HN 0.596 nan 8.290 nan 0.000 0.528 227 G N -0.112 108.786 108.800 0.163 0.000 2.684 227 G HA2 0.504 4.464 3.960 -0.000 0.000 0.255 227 G HA3 0.504 4.464 3.960 -0.000 0.000 0.255 227 G C -0.474 174.580 174.900 0.257 0.000 1.219 227 G CA -0.419 44.838 45.100 0.261 0.000 0.901 227 G HN 0.164 nan 8.290 nan 0.000 0.548 228 R N -0.484 120.158 120.500 0.237 0.000 2.626 228 R HA 0.299 4.639 4.340 -0.000 0.000 0.274 228 R C -0.885 175.509 176.300 0.158 0.000 1.031 228 R CA -0.636 55.622 56.100 0.263 0.000 0.898 228 R CB 1.966 32.361 30.300 0.159 0.000 1.222 228 R HN 0.519 nan 8.270 nan 0.000 0.455 229 M N 1.898 121.597 119.600 0.165 0.000 2.114 229 M HA 0.306 4.786 4.480 -0.000 0.000 0.332 229 M C 0.025 176.109 176.300 -0.361 0.000 1.014 229 M CA -0.450 54.701 55.300 -0.249 0.000 0.956 229 M CB 2.012 34.386 32.600 -0.377 0.000 1.551 229 M HN 0.427 nan 8.290 nan 0.000 0.427 230 E N 4.297 124.252 120.200 -0.408 0.000 2.046 230 E HA 0.370 4.720 4.350 -0.000 0.000 0.279 230 E C -1.572 174.708 176.600 -0.533 0.000 0.989 230 E CA -0.367 55.875 56.400 -0.262 0.000 0.798 230 E CB 0.704 30.415 29.700 0.018 0.000 1.086 230 E HN 0.429 nan 8.360 nan 0.000 0.399 231 F N 2.247 121.952 119.950 -0.409 0.000 2.379 231 F HA 0.368 4.895 4.527 -0.000 0.000 0.332 231 F C 0.570 175.879 175.800 -0.819 0.000 1.096 231 F CA -0.318 57.257 58.000 -0.708 0.000 1.105 231 F CB 1.848 40.235 39.000 -1.021 0.000 1.189 231 F HN 0.292 nan 8.300 nan 0.000 0.515 232 S N 1.796 117.038 115.700 -0.764 0.000 2.661 232 S HA 0.605 5.075 4.470 -0.000 0.000 0.285 232 S C -1.600 172.496 174.600 -0.840 0.000 1.138 232 S CA -0.819 56.903 58.200 -0.797 0.000 0.855 232 S CB 2.291 64.904 63.200 -0.978 0.000 1.136 232 S HN 0.708 nan 8.310 nan 0.000 0.484 233 W N -0.144 120.771 121.300 -0.642 0.000 3.075 233 W HA 0.793 5.453 4.660 0.000 0.000 0.334 233 W C -1.341 175.179 176.519 0.002 0.000 1.243 233 W CA -0.690 56.504 57.345 -0.251 0.000 1.170 233 W CB 0.874 30.374 29.460 0.066 0.000 1.452 233 W HN 0.678 nan 8.180 nan 0.000 0.572 234 T N 1.186 116.001 114.554 0.435 0.000 2.821 234 T HA 0.514 4.864 4.350 -0.000 0.000 0.306 234 T C -1.619 173.340 174.700 0.430 0.000 1.313 234 T CA -0.581 61.692 62.100 0.289 0.000 1.012 234 T CB 1.609 70.669 68.868 0.321 0.000 1.298 234 T HN 0.337 nan 8.240 nan 0.000 0.502 235 I N 3.659 124.418 120.570 0.314 0.000 2.331 235 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 235 I C -0.337 175.890 176.117 0.184 0.000 0.998 235 I CA -0.752 60.712 61.300 0.275 0.000 1.267 235 I CB 1.214 39.365 38.000 0.252 0.000 1.386 235 I HN 0.484 nan 8.210 nan 0.000 0.476 236 L N 7.126 128.449 121.223 0.167 0.000 2.268 236 L HA 0.321 4.661 4.340 -0.000 0.000 0.289 236 L C 0.221 177.142 176.870 0.086 0.000 1.064 236 L CA 0.048 54.963 54.840 0.125 0.000 0.824 236 L CB -0.012 42.136 42.059 0.148 0.000 1.202 236 L HN 0.430 nan 8.230 nan 0.000 0.433 237 D N 3.520 123.960 120.400 0.067 0.000 2.362 237 D HA 0.073 4.713 4.640 -0.000 0.000 0.238 237 D C 0.291 176.579 176.300 -0.019 0.000 1.212 237 D CA 0.058 54.078 54.000 0.033 0.000 0.902 237 D CB 0.791 41.620 40.800 0.048 0.000 1.180 237 D HN 0.465 nan 8.370 nan 0.000 0.445 238 I N 1.948 122.454 120.570 -0.107 0.000 2.618 238 I HA -0.091 4.079 4.170 -0.000 0.000 0.284 238 I C 0.492 176.472 176.117 -0.228 0.000 1.146 238 I CA 0.091 61.169 61.300 -0.369 0.000 1.425 238 I CB 0.013 37.657 38.000 -0.593 0.000 1.383 238 I HN 0.745 nan 8.210 nan 0.000 0.562 239 W N 2.466 123.781 121.300 0.024 0.000 2.303 239 W HA -0.248 4.412 4.660 -0.000 0.000 0.267 239 W C 0.295 176.811 176.519 -0.005 0.000 1.054 239 W CA 0.091 57.434 57.345 -0.003 0.000 0.501 239 W CB -1.374 28.085 29.460 -0.003 0.000 2.076 239 W HN 0.515 nan 8.180 nan 0.000 1.317 240 D N 0.569 121.058 120.400 0.149 0.000 2.277 240 D HA 0.522 5.162 4.640 -0.000 0.000 0.250 240 D C 0.328 176.674 176.300 0.075 0.000 1.032 240 D CA 0.482 54.543 54.000 0.102 0.000 0.947 240 D CB 1.315 42.161 40.800 0.077 0.000 1.159 240 D HN -0.075 nan 8.370 nan 0.000 0.460 241 T N 0.356 114.938 114.554 0.048 0.000 2.885 241 T HA 0.570 4.920 4.350 -0.000 0.000 0.285 241 T C -0.370 174.335 174.700 0.009 0.000 1.019 241 T CA -0.902 61.218 62.100 0.033 0.000 1.010 241 T CB 0.722 69.591 68.868 0.003 0.000 1.022 241 T HN 0.363 nan 8.240 nan 0.000 0.466 242 I N 2.660 123.240 120.570 0.015 0.000 2.433 242 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 242 I C -1.110 174.898 176.117 -0.180 0.000 1.001 242 I CA -1.012 60.210 61.300 -0.129 0.000 1.119 242 I CB 1.239 39.136 38.000 -0.171 0.000 1.289 242 I HN 0.825 nan 8.210 nan 0.000 0.438 243 N N 7.105 125.640 118.700 -0.275 0.000 2.479 243 N HA 0.407 5.147 4.740 -0.000 0.000 0.261 243 N C -1.498 173.828 175.510 -0.306 0.000 0.979 243 N CA -0.494 52.445 53.050 -0.185 0.000 0.930 243 N CB 1.163 39.598 38.487 -0.086 0.000 1.172 243 N HN 0.307 nan 8.380 nan 0.000 0.499 244 F N 1.227 121.164 119.950 -0.021 0.000 2.385 244 F HA 0.359 4.886 4.527 0.000 0.000 0.336 244 F C 0.719 176.540 175.800 0.036 0.000 1.100 244 F CA -0.451 57.524 58.000 -0.042 0.000 1.116 244 F CB 1.194 40.193 39.000 -0.002 0.000 1.166 244 F HN 0.375 nan 8.300 nan 0.000 0.511 245 E N 1.463 121.793 120.200 0.217 0.000 2.307 245 E HA 0.469 4.819 4.350 -0.000 0.000 0.280 245 E C -1.724 174.936 176.600 0.100 0.000 0.900 245 E CA -0.433 56.083 56.400 0.193 0.000 0.790 245 E CB 1.624 31.460 29.700 0.227 0.000 1.261 245 E HN 0.520 nan 8.360 nan 0.000 0.405 246 S N 2.234 117.893 115.700 -0.069 0.000 2.548 246 S HA 0.330 4.800 4.470 -0.000 0.000 0.276 246 S C -0.313 174.069 174.600 -0.364 0.000 1.129 246 S CA -0.300 57.684 58.200 -0.361 0.000 0.931 246 S CB 1.471 64.524 63.200 -0.245 0.000 1.068 246 S HN 0.542 nan 8.310 nan 0.000 0.480 247 T N 0.891 114.994 114.554 -0.751 0.000 3.260 247 T HA 0.621 4.971 4.350 -0.000 0.000 0.254 247 T C 0.776 175.120 174.700 -0.594 0.000 0.951 247 T CA 0.105 61.965 62.100 -0.400 0.000 0.918 247 T CB -0.651 68.010 68.868 -0.344 0.000 1.098 247 T HN 1.664 nan 8.240 nan 0.000 0.563 248 G N 1.384 109.654 108.800 -0.883 0.000 2.576 248 G HA2 0.116 4.076 3.960 -0.000 0.000 0.686 248 G HA3 0.116 4.076 3.960 -0.000 0.000 0.686 248 G C -0.072 174.252 174.900 -0.960 0.000 1.242 248 G CA -0.424 43.851 45.100 -1.374 0.000 0.819 248 G HN 0.285 nan 8.290 nan 0.000 0.655 249 N N -2.623 115.244 118.700 -1.389 0.000 2.994 249 N HA -0.180 4.560 4.740 -0.000 0.000 0.221 249 N C 0.525 175.699 175.510 -0.561 0.000 0.900 249 N CA 1.311 53.656 53.050 -1.175 0.000 1.008 249 N CB -0.829 37.214 38.487 -0.740 0.000 1.053 249 N HN 1.458 nan 8.380 nan 0.000 0.580 250 L N 2.244 123.225 121.223 -0.403 0.000 2.371 250 L HA 0.443 4.783 4.340 -0.000 0.000 0.272 250 L C 0.173 176.911 176.870 -0.219 0.000 1.124 250 L CA -0.071 54.613 54.840 -0.259 0.000 0.816 250 L CB 0.520 42.434 42.059 -0.241 0.000 1.129 250 L HN 0.009 nan 8.230 nan 0.000 0.448 251 I N 6.008 126.460 120.570 -0.197 0.000 2.479 251 I HA 0.367 4.537 4.170 -0.000 0.000 0.279 251 I C 0.631 176.705 176.117 -0.071 0.000 1.102 251 I CA -0.374 60.847 61.300 -0.133 0.000 1.196 251 I CB -0.189 37.727 38.000 -0.140 0.000 1.427 251 I HN 0.789 nan 8.210 nan 0.000 0.503 252 A N 8.227 130.933 122.820 -0.190 0.000 2.406 252 A HA 0.603 4.923 4.320 -0.000 0.000 0.243 252 A C -2.288 175.256 177.584 -0.067 0.000 1.082 252 A CA -0.672 51.190 52.037 -0.293 0.000 0.786 252 A CB -0.331 18.442 19.000 -0.379 0.000 1.029 252 A HN 0.358 nan 8.150 nan 0.000 0.495 253 P HA 0.261 nan 4.420 nan 0.000 0.279 253 P C 0.112 177.459 177.300 0.079 0.000 1.252 253 P CA -0.206 62.942 63.100 0.080 0.000 0.811 253 P CB 1.043 32.822 31.700 0.130 0.000 1.035 254 E N 0.266 120.518 120.200 0.087 0.000 2.330 254 E HA 0.045 4.395 4.350 -0.000 0.000 0.200 254 E C -0.431 175.952 176.600 -0.363 0.000 0.922 254 E CA 0.221 56.567 56.400 -0.090 0.000 0.935 254 E CB 0.234 29.887 29.700 -0.078 0.000 0.917 254 E HN 0.431 nan 8.360 nan 0.000 0.491 255 Y N -0.663 119.581 120.300 -0.093 0.000 2.468 255 Y HA 0.592 5.142 4.550 -0.000 0.000 0.342 255 Y C 0.597 176.301 175.900 -0.326 0.000 1.021 255 Y CA -0.711 57.234 58.100 -0.257 0.000 1.079 255 Y CB 2.083 40.318 38.460 -0.375 0.000 1.226 255 Y HN -0.065 nan 8.280 nan 0.000 0.460 256 G N 0.813 109.444 108.800 -0.281 0.000 2.597 256 G HA2 0.651 4.611 3.960 -0.000 0.000 0.317 256 G HA3 0.651 4.611 3.960 -0.000 0.000 0.317 256 G C -1.940 172.645 174.900 -0.525 0.000 1.230 256 G CA -0.649 44.286 45.100 -0.274 0.000 0.996 256 G HN 0.393 nan 8.290 nan 0.000 0.490 257 F N 0.503 120.340 119.950 -0.189 0.000 2.500 257 F HA 0.383 4.910 4.527 -0.000 0.000 0.349 257 F C 0.636 176.173 175.800 -0.438 0.000 1.127 257 F CA -0.761 56.982 58.000 -0.429 0.000 0.998 257 F CB 2.080 40.777 39.000 -0.505 0.000 1.237 257 F HN 0.103 nan 8.300 nan 0.000 0.439 258 K N 3.662 123.873 120.400 -0.314 0.000 2.448 258 K HA 0.253 4.573 4.320 -0.000 0.000 0.278 258 K C 0.126 176.520 176.600 -0.343 0.000 1.009 258 K CA 0.195 56.331 56.287 -0.252 0.000 0.995 258 K CB 1.273 33.649 32.500 -0.206 0.000 0.917 258 K HN 0.663 nan 8.250 nan 0.000 0.481 259 I N 0.066 120.559 120.570 -0.127 0.000 5.119 259 I HA 0.163 4.333 4.170 -0.000 0.000 0.164 259 I C -0.500 175.618 176.117 0.002 0.000 1.062 259 I CA -0.372 60.932 61.300 0.008 0.000 1.870 259 I CB 1.301 39.361 38.000 0.101 0.000 1.333 259 I HN 0.628 nan 8.210 nan 0.000 0.466 260 S N 1.356 117.076 115.700 0.034 0.000 3.586 260 S HA -0.009 4.461 4.470 -0.000 0.000 0.677 260 S C -0.734 173.862 174.600 -0.006 0.000 0.442 260 S CA -0.482 57.736 58.200 0.030 0.000 1.246 260 S CB -0.645 62.607 63.200 0.087 0.000 0.664 260 S HN 0.446 nan 8.310 nan 0.000 0.996 261 K N 1.749 122.142 120.400 -0.012 0.000 2.155 261 K HA 0.581 4.901 4.320 -0.000 0.000 0.237 261 K C 1.304 177.874 176.600 -0.050 0.000 1.040 261 K CA -0.426 55.834 56.287 -0.045 0.000 0.912 261 K CB 0.490 32.972 32.500 -0.030 0.000 1.137 261 K HN 0.709 nan 8.250 nan 0.000 0.498 262 R N -1.585 118.871 120.500 -0.073 0.000 2.320 262 R HA 0.158 4.498 4.340 -0.000 0.000 0.218 262 R C 0.104 176.346 176.300 -0.098 0.000 0.694 262 R CA 0.060 56.117 56.100 -0.072 0.000 0.936 262 R CB 0.153 30.408 30.300 -0.075 0.000 1.574 262 R HN 0.691 nan 8.270 nan 0.000 0.463 263 G N 0.002 108.734 108.800 -0.114 0.000 2.578 263 G HA2 0.405 4.365 3.960 -0.000 0.000 0.302 263 G HA3 0.405 4.365 3.960 -0.000 0.000 0.302 263 G C -1.577 173.254 174.900 -0.116 0.000 1.243 263 G CA -0.029 44.985 45.100 -0.144 0.000 0.843 263 G HN 0.086 nan 8.290 nan 0.000 0.486 264 S N -0.396 115.235 115.700 -0.115 0.000 2.381 264 S HA 0.586 5.056 4.470 -0.000 0.000 0.193 264 S C 0.086 174.718 174.600 0.053 0.000 1.287 264 S CA 0.358 58.518 58.200 -0.067 0.000 1.199 264 S CB 0.627 63.819 63.200 -0.014 0.000 1.214 264 S HN 0.963 nan 8.310 nan 0.000 0.444 265 S N 3.250 118.983 115.700 0.055 0.000 2.206 265 S HA 0.935 5.405 4.470 -0.000 0.000 0.233 265 S C 0.764 175.433 174.600 0.115 0.000 1.255 265 S CA 0.361 58.706 58.200 0.241 0.000 1.010 265 S CB 0.452 63.794 63.200 0.237 0.000 0.970 265 S HN 1.196 nan 8.310 nan 0.000 0.437 266 G N -0.667 108.194 108.800 0.103 0.000 2.600 266 G HA2 0.581 4.541 3.960 -0.000 0.000 0.293 266 G HA3 0.581 4.541 3.960 -0.000 0.000 0.293 266 G C -1.893 173.022 174.900 0.026 0.000 1.408 266 G CA -0.796 44.321 45.100 0.027 0.000 0.782 266 G HN 0.645 nan 8.290 nan 0.000 0.482 267 I N 1.125 121.678 120.570 -0.028 0.000 2.330 267 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 267 I C 0.216 176.309 176.117 -0.039 0.000 1.001 267 I CA -0.395 60.874 61.300 -0.052 0.000 1.193 267 I CB 1.779 39.707 38.000 -0.119 0.000 1.345 267 I HN 0.440 nan 8.210 nan 0.000 0.461 268 M N 7.341 126.944 119.600 0.005 0.000 2.146 268 M HA 0.308 4.788 4.480 -0.000 0.000 0.357 268 M C -0.766 175.504 176.300 -0.050 0.000 1.261 268 M CA -0.106 55.180 55.300 -0.022 0.000 1.106 268 M CB 0.332 32.947 32.600 0.024 0.000 1.612 268 M HN 0.359 nan 8.290 nan 0.000 0.470 269 K N 4.233 124.594 120.400 -0.066 0.000 2.299 269 K HA 0.325 4.645 4.320 -0.000 0.000 0.268 269 K C -0.598 175.958 176.600 -0.073 0.000 1.075 269 K CA -0.250 55.997 56.287 -0.066 0.000 0.936 269 K CB 1.231 33.700 32.500 -0.050 0.000 1.228 269 K HN 0.750 nan 8.250 nan 0.000 0.454 270 T N 0.539 115.049 114.554 -0.073 0.000 2.804 270 T HA 0.249 4.599 4.350 -0.000 0.000 0.290 270 T C -0.418 174.243 174.700 -0.065 0.000 1.099 270 T CA -0.526 61.529 62.100 -0.075 0.000 1.011 270 T CB 1.316 70.134 68.868 -0.083 0.000 1.291 270 T HN 0.455 nan 8.240 nan 0.000 0.523 271 E N 0.339 120.504 120.200 -0.058 0.000 2.624 271 E HA 0.260 4.610 4.350 -0.000 0.000 0.210 271 E C 0.796 177.366 176.600 -0.050 0.000 0.997 271 E CA -0.258 56.112 56.400 -0.051 0.000 0.999 271 E CB 0.798 30.475 29.700 -0.038 0.000 1.040 271 E HN 0.676 nan 8.360 nan 0.000 0.469 272 G N 1.332 110.100 108.800 -0.054 0.000 2.510 272 G HA2 0.454 4.414 3.960 -0.000 0.000 0.280 272 G HA3 0.454 4.414 3.960 -0.000 0.000 0.280 272 G C -0.263 174.604 174.900 -0.055 0.000 1.386 272 G CA -0.189 44.883 45.100 -0.048 0.000 1.047 272 G HN 0.069 nan 8.290 nan 0.000 0.527 273 T N -1.455 113.070 114.554 -0.048 0.000 3.548 273 T HA 0.412 4.762 4.350 -0.000 0.000 0.329 273 T C -0.108 174.565 174.700 -0.044 0.000 0.960 273 T CA -0.652 61.413 62.100 -0.057 0.000 1.041 273 T CB 0.470 69.306 68.868 -0.053 0.000 1.065 273 T HN 1.026 nan 8.240 nan 0.000 0.459 274 L N 1.489 122.682 121.223 -0.051 0.000 2.554 274 L HA 0.311 4.651 4.340 -0.000 0.000 0.293 274 L C 0.550 177.404 176.870 -0.027 0.000 1.252 274 L CA 0.124 54.946 54.840 -0.031 0.000 0.862 274 L CB 0.391 42.424 42.059 -0.044 0.000 1.113 274 L HN 0.877 nan 8.230 nan 0.000 0.510 275 E N 1.626 121.818 120.200 -0.012 0.000 2.968 275 E HA 0.092 4.442 4.350 -0.000 0.000 0.202 275 E C -0.505 176.092 176.600 -0.004 0.000 0.979 275 E CA -0.454 55.940 56.400 -0.011 0.000 1.192 275 E CB -0.097 29.599 29.700 -0.008 0.000 1.059 275 E HN 0.845 nan 8.360 nan 0.000 0.470 276 N N 0.956 119.655 118.700 -0.002 0.000 2.469 276 N HA -0.157 4.583 4.740 -0.000 0.000 0.283 276 N C -0.572 174.943 175.510 0.008 0.000 1.326 276 N CA 0.825 53.877 53.050 0.003 0.000 0.646 276 N CB -1.526 36.960 38.487 -0.001 0.000 0.894 276 N HN 0.525 nan 8.380 nan 0.000 0.533 277 c N 0.734 119.342 118.600 0.015 0.000 3.805 277 c HA 0.928 5.498 4.570 -0.000 0.000 0.111 277 c C 0.433 174.535 174.090 0.019 0.000 2.736 277 c CA 0.240 56.578 56.329 0.014 0.000 1.638 277 c CB 0.375 42.893 42.510 0.013 0.000 3.111 277 c HN 0.864 nan 8.230 nan 0.000 0.434 278 E N -0.846 119.366 120.200 0.019 0.000 2.421 278 E HA 0.517 4.867 4.350 -0.000 0.000 0.278 278 E C -1.233 175.375 176.600 0.013 0.000 1.141 278 E CA 0.726 57.139 56.400 0.022 0.000 0.880 278 E CB 1.092 30.802 29.700 0.017 0.000 1.381 278 E HN 1.298 nan 8.360 nan 0.000 0.436 279 T N 0.508 115.068 114.554 0.011 0.000 3.163 279 T HA 0.180 4.530 4.350 -0.000 0.000 0.378 279 T C -0.954 173.743 174.700 -0.005 0.000 1.794 279 T CA -0.063 62.033 62.100 -0.007 0.000 1.055 279 T CB 0.589 69.440 68.868 -0.029 0.000 1.792 279 T HN 0.472 nan 8.240 nan 0.000 0.504 280 K N 1.031 121.423 120.400 -0.014 0.000 2.487 280 K HA 0.450 4.770 4.320 -0.000 0.000 0.192 280 K C 0.036 176.613 176.600 -0.039 0.000 1.027 280 K CA 0.362 56.645 56.287 -0.006 0.000 1.054 280 K CB -0.177 32.320 32.500 -0.006 0.000 0.824 280 K HN 0.583 nan 8.250 nan 0.000 0.510 281 c N 0.254 118.808 118.600 -0.075 0.000 2.832 281 c HA 0.456 5.026 4.570 -0.000 0.000 0.383 281 c C -1.852 172.136 174.090 -0.171 0.000 1.046 281 c CA -0.832 55.415 56.329 -0.137 0.000 1.242 281 c CB 0.569 42.996 42.510 -0.138 0.000 1.693 281 c HN 0.402 nan 8.230 nan 0.000 0.497 282 Q N 2.947 122.599 119.800 -0.247 0.000 2.345 282 Q HA 0.851 5.191 4.340 -0.000 0.000 0.268 282 Q C -0.640 175.170 176.000 -0.316 0.000 1.054 282 Q CA 0.060 55.690 55.803 -0.289 0.000 0.835 282 Q CB 2.142 30.627 28.738 -0.421 0.000 1.339 282 Q HN 0.780 nan 8.270 nan 0.000 0.447 283 T N 4.168 118.547 114.554 -0.292 0.000 2.900 283 T HA 0.385 4.735 4.350 -0.000 0.000 0.295 283 T C -2.231 172.250 174.700 -0.365 0.000 1.044 283 T CA -1.559 60.351 62.100 -0.317 0.000 0.995 283 T CB 1.587 70.280 68.868 -0.291 0.000 1.072 283 T HN 0.474 nan 8.240 nan 0.000 0.473 284 P HA 0.025 nan 4.420 nan 0.000 0.222 284 P C 0.964 178.033 177.300 -0.386 0.000 1.142 284 P CA 0.962 63.786 63.100 -0.460 0.000 0.788 284 P CB 0.186 31.456 31.700 -0.717 0.000 0.767 285 L N -3.665 117.290 121.223 -0.447 0.000 2.556 285 L HA 0.405 4.745 4.340 -0.000 0.000 0.226 285 L C 1.113 177.701 176.870 -0.471 0.000 1.089 285 L CA 0.196 54.771 54.840 -0.442 0.000 0.864 285 L CB -0.046 41.680 42.059 -0.555 0.000 1.067 285 L HN 0.028 nan 8.230 nan 0.000 0.477 286 G N -0.329 108.245 108.800 -0.376 0.000 2.339 286 G HA2 0.418 4.378 3.960 -0.000 0.000 0.302 286 G HA3 0.418 4.378 3.960 -0.000 0.000 0.302 286 G C -1.655 173.174 174.900 -0.120 0.000 1.425 286 G CA -0.251 44.760 45.100 -0.148 0.000 0.899 286 G HN 0.032 nan 8.290 nan 0.000 0.619 287 A N -0.422 122.375 122.820 -0.038 0.000 2.322 287 A HA 0.794 5.114 4.320 -0.000 0.000 0.269 287 A C 0.155 177.721 177.584 -0.029 0.000 1.094 287 A CA -0.334 51.669 52.037 -0.058 0.000 0.807 287 A CB 0.336 19.314 19.000 -0.037 0.000 1.047 287 A HN 0.847 nan 8.150 nan 0.000 0.487 288 I N 1.803 122.330 120.570 -0.073 0.000 2.378 288 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 288 I C -0.351 175.740 176.117 -0.044 0.000 0.992 288 I CA -0.518 60.744 61.300 -0.062 0.000 1.154 288 I CB 1.625 39.539 38.000 -0.143 0.000 1.315 288 I HN 0.602 nan 8.210 nan 0.000 0.448 289 N N 4.651 123.339 118.700 -0.020 0.000 2.706 289 N HA 0.410 5.150 4.740 -0.000 0.000 0.240 289 N C -0.917 174.588 175.510 -0.008 0.000 1.039 289 N CA 0.069 53.110 53.050 -0.014 0.000 0.888 289 N CB 1.096 39.579 38.487 -0.007 0.000 1.128 289 N HN 0.695 nan 8.380 nan 0.000 0.512 290 T N -0.300 114.247 114.554 -0.011 0.000 2.665 290 T HA 0.493 4.843 4.350 -0.000 0.000 0.303 290 T C 0.095 174.790 174.700 -0.009 0.000 1.334 290 T CA -0.162 61.937 62.100 -0.002 0.000 1.011 290 T CB 0.653 69.529 68.868 0.012 0.000 1.573 290 T HN 0.375 nan 8.240 nan 0.000 0.492 291 T N -0.297 114.254 114.554 -0.005 0.000 3.186 291 T HA 0.391 4.741 4.350 -0.000 0.000 0.292 291 T C 0.367 175.052 174.700 -0.025 0.000 0.915 291 T CA -0.276 61.814 62.100 -0.017 0.000 0.902 291 T CB -0.361 68.500 68.868 -0.011 0.000 1.192 291 T HN 0.435 nan 8.240 nan 0.000 0.563 292 L N 1.602 122.821 121.223 -0.006 0.000 2.417 292 L HA 0.394 4.734 4.340 -0.000 0.000 0.268 292 L C -1.673 175.153 176.870 -0.072 0.000 1.158 292 L CA -2.377 52.463 54.840 0.001 0.000 0.819 292 L CB 0.364 42.458 42.059 0.059 0.000 1.112 292 L HN -0.173 nan 8.230 nan 0.000 0.458 293 P HA -0.072 nan 4.420 nan 0.000 0.226 293 P C -0.661 176.060 177.300 -0.964 0.000 1.146 293 P CA 1.318 64.061 63.100 -0.595 0.000 0.773 293 P CB 0.075 31.343 31.700 -0.721 0.000 0.772 294 F N -1.703 118.220 119.950 -0.044 0.000 2.619 294 F HA 0.387 4.914 4.527 -0.000 0.000 0.308 294 F C 0.572 176.372 175.800 -0.000 0.000 1.097 294 F CA -1.049 56.904 58.000 -0.078 0.000 0.953 294 F CB 1.316 40.252 39.000 -0.106 0.000 1.287 294 F HN -0.139 nan 8.300 nan 0.000 0.446 295 H N 0.144 119.298 119.070 0.140 0.000 2.907 295 H HA 0.538 5.094 4.556 -0.000 0.000 0.361 295 H C -1.294 174.042 175.328 0.013 0.000 1.194 295 H CA -0.998 55.108 56.048 0.096 0.000 1.152 295 H CB 2.193 32.023 29.762 0.114 0.000 1.867 295 H HN 0.603 nan 8.280 nan 0.000 0.561 296 N N 0.703 119.479 118.700 0.126 0.000 2.305 296 N HA 0.118 4.858 4.740 -0.000 0.000 0.248 296 N C 0.321 176.053 175.510 0.370 0.000 1.290 296 N CA -0.327 52.684 53.050 -0.066 0.000 0.873 296 N CB -0.223 38.188 38.487 -0.126 0.000 1.261 296 N HN 0.615 nan 8.380 nan 0.000 0.504 297 I N -0.376 120.612 120.570 0.698 0.000 2.162 297 I HA -0.054 4.116 4.170 -0.000 0.000 0.238 297 I C 0.446 176.853 176.117 0.485 0.000 1.076 297 I CA 1.100 62.697 61.300 0.496 0.000 1.353 297 I CB -0.123 38.067 38.000 0.317 0.000 1.063 297 I HN 0.306 nan 8.210 nan 0.000 0.408 298 H N -0.868 118.419 119.070 0.361 0.000 3.123 298 H HA 0.150 4.706 4.556 -0.000 0.000 0.346 298 H C -2.342 172.723 175.328 -0.438 0.000 1.138 298 H CA -1.112 54.911 56.048 -0.043 0.000 1.273 298 H CB 2.479 32.186 29.762 -0.091 0.000 1.926 298 H HN -0.237 nan 8.280 nan 0.000 0.524 299 P HA -0.025 nan 4.420 nan 0.000 0.215 299 P C 0.678 177.807 177.300 -0.285 0.000 1.157 299 P CA 0.901 63.433 63.100 -0.946 0.000 0.859 299 P CB 0.338 31.602 31.700 -0.727 0.000 0.786 300 L N 0.774 121.980 121.223 -0.028 0.000 2.416 300 L HA 0.136 4.476 4.340 -0.000 0.000 0.243 300 L C 0.894 177.768 176.870 0.007 0.000 1.373 300 L CA -0.453 54.417 54.840 0.049 0.000 1.227 300 L CB -1.585 40.555 42.059 0.134 0.000 1.428 300 L HN 0.063 nan 8.230 nan 0.000 0.425 301 T N -1.675 112.842 114.554 -0.061 0.000 2.847 301 T HA 0.665 5.015 4.350 -0.000 0.000 0.279 301 T C -0.086 174.479 174.700 -0.226 0.000 0.984 301 T CA -0.573 61.443 62.100 -0.140 0.000 0.988 301 T CB 2.129 70.933 68.868 -0.105 0.000 1.040 301 T HN 0.203 nan 8.240 nan 0.000 0.528 302 I N 1.526 121.910 120.570 -0.309 0.000 2.497 302 I HA 0.605 4.775 4.170 -0.000 0.000 0.284 302 I C 0.629 176.495 176.117 -0.419 0.000 1.060 302 I CA -0.275 60.787 61.300 -0.395 0.000 1.071 302 I CB 1.151 38.918 38.000 -0.388 0.000 1.216 302 I HN 1.202 nan 8.210 nan 0.000 0.442 303 G N 5.619 114.047 108.800 -0.620 0.000 2.288 303 G HA2 0.009 3.969 3.960 -0.000 0.000 0.227 303 G HA3 0.009 3.969 3.960 -0.000 0.000 0.227 303 G C -1.459 173.207 174.900 -0.389 0.000 1.339 303 G CA -0.797 44.049 45.100 -0.423 0.000 1.057 303 G HN 0.471 nan 8.290 nan 0.000 0.470 304 E N 0.031 120.146 120.200 -0.140 0.000 2.063 304 E HA 0.508 4.858 4.350 -0.000 0.000 0.265 304 E C -0.972 175.569 176.600 -0.099 0.000 0.919 304 E CA -0.363 55.980 56.400 -0.095 0.000 0.756 304 E CB 1.392 31.085 29.700 -0.012 0.000 1.120 304 E HN 0.497 nan 8.360 nan 0.000 0.414 305 c N 3.788 122.323 118.600 -0.108 0.000 2.417 305 c HA 0.370 4.940 4.570 -0.000 0.000 0.324 305 c C -2.194 171.879 174.090 -0.029 0.000 1.240 305 c CA -1.899 54.399 56.329 -0.051 0.000 1.632 305 c CB 0.845 43.348 42.510 -0.012 0.000 2.241 305 c HN 0.573 nan 8.230 nan 0.000 0.499 306 P HA -0.008 nan 4.420 nan 0.000 0.255 306 P C -0.252 177.003 177.300 -0.076 0.000 1.173 306 P CA 0.246 63.325 63.100 -0.035 0.000 0.780 306 P CB 0.231 32.000 31.700 0.115 0.000 0.758 307 K N 4.522 124.735 120.400 -0.312 0.000 2.216 307 K HA -0.195 4.125 4.320 -0.000 0.000 0.252 307 K C -0.567 175.940 176.600 -0.155 0.000 1.335 307 K CA 0.381 56.459 56.287 -0.348 0.000 1.323 307 K CB -1.652 30.417 32.500 -0.719 0.000 0.776 307 K HN 0.363 nan 8.250 nan 0.000 0.491 308 Y N 4.534 124.642 120.300 -0.321 0.000 2.804 308 Y HA 0.115 4.665 4.550 -0.000 0.000 0.338 308 Y C -0.048 175.748 175.900 -0.174 0.000 1.252 308 Y CA -0.032 57.742 58.100 -0.543 0.000 1.576 308 Y CB 0.251 38.406 38.460 -0.508 0.000 1.223 308 Y HN 0.283 nan 8.280 nan 0.000 0.536 309 V N 3.889 123.398 119.914 -0.676 0.000 3.019 309 V HA 0.451 4.571 4.120 -0.000 0.000 0.317 309 V C 0.131 175.796 176.094 -0.714 0.000 1.094 309 V CA -1.396 60.634 62.300 -0.450 0.000 1.000 309 V CB 1.968 33.661 31.823 -0.216 0.000 1.060 309 V HN 0.737 nan 8.190 nan 0.000 0.443 310 K N 0.972 121.161 120.400 -0.351 0.000 2.684 310 K HA 0.311 4.631 4.320 -0.000 0.000 0.215 310 K C 0.237 176.742 176.600 -0.158 0.000 1.073 310 K CA 0.076 56.219 56.287 -0.240 0.000 1.197 310 K CB -0.053 32.411 32.500 -0.060 0.000 0.955 310 K HN 0.983 nan 8.250 nan 0.000 0.473 311 S N -1.158 114.426 115.700 -0.193 0.000 2.578 311 S HA 0.249 4.719 4.470 -0.000 0.000 0.301 311 S C 0.574 175.111 174.600 -0.105 0.000 1.091 311 S CA -0.903 57.217 58.200 -0.134 0.000 1.032 311 S CB 1.925 65.030 63.200 -0.158 0.000 1.064 311 S HN 0.150 nan 8.310 nan 0.000 0.508 312 E N 0.794 120.952 120.200 -0.070 0.000 2.216 312 E HA 0.045 4.395 4.350 -0.000 0.000 0.192 312 E C 0.633 177.209 176.600 -0.040 0.000 0.988 312 E CA 0.621 56.995 56.400 -0.043 0.000 0.834 312 E CB 0.215 29.897 29.700 -0.029 0.000 0.772 312 E HN 0.717 nan 8.360 nan 0.000 0.479 313 R N -1.225 119.240 120.500 -0.058 0.000 2.664 313 R HA 0.396 4.736 4.340 -0.000 0.000 0.266 313 R C -1.749 174.507 176.300 -0.075 0.000 1.046 313 R CA -0.714 55.356 56.100 -0.050 0.000 0.885 313 R CB 0.444 30.725 30.300 -0.032 0.000 1.254 313 R HN -0.052 nan 8.270 nan 0.000 0.465 314 L N 2.789 123.975 121.223 -0.062 0.000 2.518 314 L HA 0.457 4.797 4.340 -0.000 0.000 0.262 314 L C -0.876 175.979 176.870 -0.026 0.000 0.982 314 L CA -1.053 53.740 54.840 -0.078 0.000 0.873 314 L CB 2.137 44.114 42.059 -0.136 0.000 1.198 314 L HN 0.583 nan 8.230 nan 0.000 0.427 315 V N 1.298 121.199 119.914 -0.022 0.000 2.444 315 V HA 0.561 4.681 4.120 -0.000 0.000 0.294 315 V C -0.246 175.852 176.094 0.008 0.000 1.022 315 V CA -0.679 61.623 62.300 0.003 0.000 0.850 315 V CB 1.911 33.735 31.823 0.003 0.000 0.992 315 V HN 0.535 nan 8.190 nan 0.000 0.426 316 L N 4.450 125.690 121.223 0.029 0.000 2.305 316 L HA 0.718 5.058 4.340 -0.000 0.000 0.281 316 L C 1.023 177.923 176.870 0.049 0.000 1.085 316 L CA -0.359 54.501 54.840 0.034 0.000 0.813 316 L CB 1.570 43.658 42.059 0.048 0.000 1.157 316 L HN 0.938 nan 8.230 nan 0.000 0.436 317 A N 2.034 124.878 122.820 0.041 0.000 2.454 317 A HA 0.370 4.690 4.320 -0.000 0.000 0.260 317 A C 0.935 178.581 177.584 0.104 0.000 1.106 317 A CA 0.131 52.203 52.037 0.058 0.000 0.780 317 A CB 0.219 19.240 19.000 0.035 0.000 1.044 317 A HN 0.894 nan 8.150 nan 0.000 0.498 318 T N 0.701 115.351 114.554 0.160 0.000 3.026 318 T HA 0.363 4.713 4.350 -0.000 0.000 0.245 318 T C 1.115 176.011 174.700 0.326 0.000 1.004 318 T CA 0.619 62.868 62.100 0.248 0.000 1.069 318 T CB -0.312 68.734 68.868 0.297 0.000 1.005 318 T HN 0.900 nan 8.240 nan 0.000 0.472 319 G N 1.970 110.882 108.800 0.188 0.000 2.543 319 G HA2 0.672 4.632 3.960 -0.000 0.000 0.267 319 G HA3 0.672 4.632 3.960 -0.000 0.000 0.267 319 G C -0.421 173.955 174.900 -0.874 0.000 1.406 319 G CA -0.958 43.929 45.100 -0.354 0.000 1.048 319 G HN 0.704 nan 8.290 nan 0.000 0.548 320 L N -2.522 117.942 121.223 -1.265 0.000 2.331 320 L HA 0.792 5.132 4.340 -0.000 0.000 0.268 320 L C 0.539 177.148 176.870 -0.435 0.000 1.015 320 L CA -1.317 53.011 54.840 -0.854 0.000 0.807 320 L CB 1.360 42.884 42.059 -0.891 0.000 1.293 320 L HN 0.492 nan 8.230 nan 0.000 0.451 321 R N 1.530 121.840 120.500 -0.316 0.000 2.538 321 R HA -0.023 4.317 4.340 -0.000 0.000 0.282 321 R C -0.341 175.808 176.300 -0.253 0.000 1.009 321 R CA 0.161 56.118 56.100 -0.238 0.000 1.063 321 R CB 0.118 30.299 30.300 -0.197 0.000 0.945 321 R HN 0.815 nan 8.270 nan 0.000 0.414 322 N N 4.523 123.104 118.700 -0.198 0.000 2.521 322 N HA 0.133 4.873 4.740 -0.000 0.000 0.236 322 N C -1.298 174.141 175.510 -0.118 0.000 1.067 322 N CA -0.584 52.360 53.050 -0.178 0.000 0.939 322 N CB 0.864 39.238 38.487 -0.187 0.000 1.201 322 N HN 0.365 nan 8.380 nan 0.000 0.511 323 V N 2.307 122.176 119.914 -0.076 0.000 2.472 323 V HA 0.711 4.831 4.120 -0.000 0.000 0.290 323 V C -2.105 173.981 176.094 -0.015 0.000 1.037 323 V CA -2.017 60.264 62.300 -0.031 0.000 0.908 323 V CB 1.065 32.893 31.823 0.007 0.000 0.985 323 V HN 0.455 nan 8.190 nan 0.000 0.454 324 P HA 0.250 nan 4.420 nan 0.000 0.277 324 P C -0.223 177.079 177.300 0.004 0.000 1.271 324 P CA -0.051 63.041 63.100 -0.014 0.000 0.795 324 P CB 0.442 32.133 31.700 -0.016 0.000 1.101 331 L N -0.150 121.042 121.223 -0.051 0.000 2.341 331 L HA 0.390 4.730 4.340 -0.000 0.000 0.214 331 L C 1.928 178.553 176.870 -0.409 0.000 1.115 331 L CA 1.354 56.053 54.840 -0.236 0.000 0.820 331 L CB -0.515 41.358 42.059 -0.311 0.000 0.944 331 L HN 0.413 nan 8.230 nan 0.000 0.452 332 F N -1.220 118.702 119.950 -0.046 0.000 2.682 332 F HA 0.313 4.840 4.527 -0.000 0.000 0.308 332 F C 1.769 177.566 175.800 -0.005 0.000 1.093 332 F CA 0.614 58.597 58.000 -0.028 0.000 1.244 332 F CB 0.524 39.495 39.000 -0.047 0.000 1.052 332 F HN 0.152 nan 8.300 nan 0.000 0.573 333 G N 0.507 109.359 108.800 0.087 0.000 2.336 333 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.233 333 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.233 333 G C 1.406 176.264 174.900 -0.071 0.000 1.053 333 G CA 0.423 45.571 45.100 0.079 0.000 0.625 333 G HN 0.512 nan 8.290 nan 0.000 0.511 334 A N 1.093 123.811 122.820 -0.170 0.000 1.821 334 A HA 0.415 4.735 4.320 -0.000 0.000 0.215 334 A C 1.432 178.771 177.584 -0.407 0.000 1.216 334 A CA 1.361 53.058 52.037 -0.566 0.000 0.615 334 A CB -0.560 18.248 19.000 -0.319 0.000 0.862 334 A HN 0.991 nan 8.150 nan 0.000 0.450 335 I N -0.450 119.904 120.570 -0.360 0.000 2.710 335 I HA 0.187 4.357 4.170 -0.000 0.000 0.286 335 I C 1.379 177.327 176.117 -0.283 0.000 1.181 335 I CA 0.532 61.475 61.300 -0.593 0.000 1.430 335 I CB 0.221 37.665 38.000 -0.926 0.000 1.367 335 I HN 0.674 nan 8.210 nan 0.000 0.577 336 A N 4.328 127.076 122.820 -0.121 0.000 2.715 336 A HA -0.173 4.147 4.320 -0.000 0.000 0.301 336 A C 0.850 178.391 177.584 -0.072 0.000 1.515 336 A CA 1.225 53.225 52.037 -0.061 0.000 0.816 336 A CB -2.013 16.930 19.000 -0.094 0.000 1.004 336 A HN 1.127 nan 8.150 nan 0.000 0.483 337 G N -1.466 107.274 108.800 -0.101 0.000 3.377 337 G HA2 0.514 4.474 3.960 -0.000 0.000 0.182 337 G HA3 0.514 4.474 3.960 -0.000 0.000 0.182 337 G C 0.632 175.486 174.900 -0.077 0.000 1.166 337 G CA 0.159 45.207 45.100 -0.087 0.000 0.771 337 G HN 1.102 nan 8.290 nan 0.000 0.701 338 F N 0.889 120.805 119.950 -0.057 0.000 2.216 338 F HA 0.269 4.796 4.527 -0.000 0.000 0.300 338 F C 1.247 176.995 175.800 -0.088 0.000 1.085 338 F CA 0.382 58.328 58.000 -0.089 0.000 1.326 338 F CB -0.520 38.391 39.000 -0.149 0.000 1.027 338 F HN -0.042 nan 8.300 nan 0.000 0.497 339 I N 2.140 122.294 120.570 -0.692 0.000 2.268 339 I HA 0.017 4.187 4.170 -0.000 0.000 0.298 339 I C 1.449 177.462 176.117 -0.172 0.000 1.185 339 I CA 0.154 61.230 61.300 -0.374 0.000 1.548 339 I CB -0.205 37.477 38.000 -0.530 0.000 1.492 339 I HN 0.302 nan 8.210 nan 0.000 0.711 340 E N 3.375 123.538 120.200 -0.063 0.000 2.236 340 E HA -0.198 4.152 4.350 -0.000 0.000 0.205 340 E C 1.021 177.615 176.600 -0.009 0.000 1.028 340 E CA 1.368 57.758 56.400 -0.017 0.000 0.827 340 E CB 0.262 29.971 29.700 0.014 0.000 0.735 340 E HN 0.841 nan 8.360 nan 0.000 0.470 341 G N -2.384 106.376 108.800 -0.067 0.000 2.606 341 G HA2 0.531 4.491 3.960 -0.000 0.000 0.300 341 G HA3 0.531 4.491 3.960 -0.000 0.000 0.300 341 G C -0.802 173.906 174.900 -0.320 0.000 1.360 341 G CA -0.460 44.601 45.100 -0.065 0.000 0.783 341 G HN 0.224 nan 8.290 nan 0.000 0.484 342 G N -1.759 106.926 108.800 -0.192 0.000 2.537 342 G HA2 0.539 4.499 3.960 -0.000 0.000 0.323 342 G HA3 0.539 4.499 3.960 -0.000 0.000 0.323 342 G C -1.375 173.451 174.900 -0.125 0.000 1.207 342 G CA -0.609 44.279 45.100 -0.352 0.000 0.976 342 G HN 0.395 nan 8.290 nan 0.000 0.487 343 W N 0.991 122.170 121.300 -0.202 0.000 2.322 343 W HA 0.383 5.043 4.660 0.000 0.000 0.321 343 W C 0.902 177.278 176.519 -0.240 0.000 0.991 343 W CA -1.340 55.839 57.345 -0.276 0.000 1.448 343 W CB 1.056 30.214 29.460 -0.504 0.000 1.239 343 W HN 0.739 nan 8.180 nan 0.000 0.399 344 Q N 2.101 121.922 119.800 0.034 0.000 2.242 344 Q HA -0.185 4.155 4.340 -0.000 0.000 0.211 344 Q C 2.220 178.208 176.000 -0.020 0.000 0.992 344 Q CA 2.704 58.512 55.803 0.007 0.000 0.889 344 Q CB -0.182 28.561 28.738 0.009 0.000 0.913 344 Q HN 0.662 nan 8.270 nan 0.000 0.422 345 G N -0.076 108.627 108.800 -0.163 0.000 2.418 345 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 345 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 345 G C 0.598 175.329 174.900 -0.282 0.000 1.158 345 G CA 0.483 45.417 45.100 -0.275 0.000 0.771 345 G HN 0.415 nan 8.290 nan 0.000 0.545 346 M N 1.631 121.021 119.600 -0.351 0.000 2.146 346 M HA 0.394 4.874 4.480 -0.000 0.000 0.352 346 M C -0.110 176.223 176.300 0.055 0.000 1.343 346 M CA -0.227 55.036 55.300 -0.061 0.000 1.115 346 M CB 1.222 33.893 32.600 0.118 0.000 1.657 346 M HN 0.040 nan 8.290 nan 0.000 0.471 347 V N 1.811 121.722 119.914 -0.005 0.000 3.098 347 V HA 0.343 4.463 4.120 -0.000 0.000 0.416 347 V C -0.596 175.422 176.094 -0.127 0.000 1.449 347 V CA -0.420 61.835 62.300 -0.076 0.000 1.486 347 V CB -0.224 31.615 31.823 0.026 0.000 1.277 347 V HN 0.903 nan 8.190 nan 0.000 0.623 348 D N -0.419 119.895 120.400 -0.143 0.000 2.556 348 D HA 0.523 5.163 4.640 -0.000 0.000 0.237 348 D C 0.619 176.802 176.300 -0.194 0.000 1.296 348 D CA 0.685 54.606 54.000 -0.131 0.000 0.807 348 D CB 1.772 42.549 40.800 -0.037 0.000 1.084 348 D HN 0.812 nan 8.370 nan 0.000 0.510 349 G N -0.602 108.014 108.800 -0.307 0.000 2.342 349 G HA2 0.185 4.145 3.960 -0.000 0.000 0.297 349 G HA3 0.185 4.145 3.960 -0.000 0.000 0.297 349 G C -1.081 173.598 174.900 -0.369 0.000 1.313 349 G CA -0.706 44.188 45.100 -0.343 0.000 0.830 349 G HN -0.065 nan 8.290 nan 0.000 0.506 350 W N -0.480 120.575 121.300 -0.409 0.000 2.630 350 W HA 0.346 5.006 4.660 -0.000 0.000 0.271 350 W C -0.099 176.204 176.519 -0.360 0.000 1.244 350 W CA 0.438 57.505 57.345 -0.462 0.000 1.353 350 W CB -0.144 28.783 29.460 -0.889 0.000 1.080 350 W HN 0.360 nan 8.180 nan 0.000 0.594 351 Y N -0.540 119.899 120.300 0.232 0.000 2.477 351 Y HA 0.724 5.274 4.550 -0.000 0.000 0.347 351 Y C 0.629 176.522 175.900 -0.013 0.000 0.981 351 Y CA -1.476 56.668 58.100 0.074 0.000 1.033 351 Y CB 1.241 39.719 38.460 0.030 0.000 1.245 351 Y HN -0.121 nan 8.280 nan 0.000 0.455 352 G N 0.291 109.126 108.800 0.058 0.000 2.554 352 G HA2 0.522 4.482 3.960 -0.000 0.000 0.306 352 G HA3 0.522 4.482 3.960 -0.000 0.000 0.306 352 G C -2.253 172.664 174.900 0.029 0.000 1.320 352 G CA -0.903 44.183 45.100 -0.024 0.000 0.800 352 G HN 0.400 nan 8.290 nan 0.000 0.481 353 Y N -0.725 119.896 120.300 0.534 0.000 2.631 353 Y HA 0.790 5.340 4.550 -0.000 0.000 0.328 353 Y C 0.260 176.530 175.900 0.617 0.000 1.118 353 Y CA -0.792 57.646 58.100 0.563 0.000 1.206 353 Y CB 2.094 40.743 38.460 0.314 0.000 1.337 353 Y HN 0.649 nan 8.280 nan 0.000 0.515 354 H N 1.044 120.407 119.070 0.489 0.000 3.287 354 H HA 0.256 4.812 4.556 -0.000 0.000 0.330 354 H C -1.855 173.554 175.328 0.133 0.000 1.064 354 H CA -0.682 55.425 56.048 0.099 0.000 1.544 354 H CB 0.595 30.062 29.762 -0.492 0.000 1.918 354 H HN 1.038 nan 8.280 nan 0.000 0.477 355 H N 1.877 120.753 119.070 -0.323 0.000 2.457 355 H HA 0.541 5.097 4.556 -0.000 0.000 0.335 355 H C -0.790 174.302 175.328 -0.394 0.000 1.115 355 H CA -1.065 54.814 56.048 -0.282 0.000 1.219 355 H CB 1.668 31.358 29.762 -0.120 0.000 1.471 355 H HN 0.187 nan 8.280 nan 0.000 0.491 356 S N 2.975 118.498 115.700 -0.294 0.000 2.466 356 S HA 0.139 4.609 4.470 -0.000 0.000 0.313 356 S C -0.240 174.276 174.600 -0.140 0.000 1.078 356 S CA -0.640 57.405 58.200 -0.259 0.000 1.115 356 S CB -0.213 62.875 63.200 -0.187 0.000 1.006 356 S HN 0.659 nan 8.310 nan 0.000 0.487 357 N N 1.188 119.801 118.700 -0.146 0.000 2.741 357 N HA 0.326 5.066 4.740 -0.000 0.000 0.310 357 N C 0.427 175.896 175.510 -0.069 0.000 1.295 357 N CA -0.878 52.126 53.050 -0.077 0.000 0.893 357 N CB 0.777 39.261 38.487 -0.005 0.000 1.247 357 N HN 0.160 nan 8.380 nan 0.000 0.596 358 D N -0.015 120.357 120.400 -0.048 0.000 2.351 358 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 358 D C -0.329 175.949 176.300 -0.037 0.000 0.968 358 D CA 1.303 55.282 54.000 -0.034 0.000 0.899 358 D CB 0.112 40.899 40.800 -0.021 0.000 0.907 358 D HN 0.439 nan 8.370 nan 0.000 0.514 359 Q N -0.634 119.139 119.800 -0.045 0.000 2.616 359 Q HA 0.478 4.818 4.340 -0.000 0.000 0.250 359 Q C 0.918 176.865 176.000 -0.087 0.000 0.991 359 Q CA -0.333 55.442 55.803 -0.046 0.000 0.707 359 Q CB 1.768 30.494 28.738 -0.021 0.000 1.247 359 Q HN 0.018 nan 8.270 nan 0.000 0.491 360 G N 2.110 110.851 108.800 -0.098 0.000 2.685 360 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.357 360 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.357 360 G C -0.131 174.624 174.900 -0.242 0.000 1.272 360 G CA 0.089 45.108 45.100 -0.134 0.000 0.972 360 G HN 0.980 nan 8.290 nan 0.000 0.550 361 S N -1.902 113.644 115.700 -0.256 0.000 3.294 361 S HA 0.465 4.935 4.470 -0.000 0.000 0.853 361 S C 0.505 174.889 174.600 -0.360 0.000 1.111 361 S CA 1.294 59.248 58.200 -0.411 0.000 1.104 361 S CB -1.124 61.482 63.200 -0.991 0.000 0.765 361 S HN 3.046 nan 8.310 nan 0.000 0.265 362 G N 1.301 109.909 108.800 -0.320 0.000 2.542 362 G HA2 0.339 4.299 3.960 -0.000 0.000 0.391 362 G HA3 0.339 4.299 3.960 -0.000 0.000 0.391 362 G C -1.573 173.241 174.900 -0.144 0.000 1.551 362 G CA -0.989 43.957 45.100 -0.257 0.000 0.946 362 G HN 0.784 nan 8.290 nan 0.000 0.662 363 Y N 0.245 120.605 120.300 0.100 0.000 2.420 363 Y HA 0.787 5.337 4.550 -0.000 0.000 0.334 363 Y C 0.680 176.704 175.900 0.206 0.000 1.094 363 Y CA -0.064 58.117 58.100 0.135 0.000 1.126 363 Y CB 2.531 41.012 38.460 0.035 0.000 1.217 363 Y HN 1.253 nan 8.280 nan 0.000 0.462 364 A N 1.624 124.724 122.820 0.466 0.000 2.466 364 A HA 0.752 5.072 4.320 -0.000 0.000 0.284 364 A C -1.018 176.786 177.584 0.366 0.000 1.049 364 A CA -0.550 51.701 52.037 0.356 0.000 0.760 364 A CB 0.199 19.392 19.000 0.323 0.000 1.274 364 A HN 0.886 nan 8.150 nan 0.000 0.412 365 A N 1.840 124.805 122.820 0.242 0.000 2.425 365 A HA 0.507 4.827 4.320 -0.000 0.000 0.249 365 A C 0.102 177.795 177.584 0.182 0.000 1.084 365 A CA -0.054 52.086 52.037 0.173 0.000 0.781 365 A CB 0.138 19.173 19.000 0.059 0.000 1.019 365 A HN 0.783 nan 8.150 nan 0.000 0.490 366 D N 1.988 122.479 120.400 0.151 0.000 2.470 366 D HA 0.107 4.747 4.640 -0.000 0.000 0.226 366 D C 1.050 177.435 176.300 0.142 0.000 1.196 366 D CA 0.170 54.290 54.000 0.200 0.000 0.979 366 D CB 0.161 41.047 40.800 0.143 0.000 1.059 366 D HN 0.513 nan 8.370 nan 0.000 0.515 367 K N 1.967 122.431 120.400 0.108 0.000 2.152 367 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 367 K C 1.590 178.232 176.600 0.070 0.000 1.048 367 K CA 1.036 57.356 56.287 0.054 0.000 0.933 367 K CB 0.200 32.718 32.500 0.030 0.000 0.721 367 K HN 0.549 nan 8.250 nan 0.000 0.447 368 E N 1.040 121.298 120.200 0.097 0.000 2.038 368 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 368 E C 1.890 178.560 176.600 0.117 0.000 1.000 368 E CA 2.110 58.567 56.400 0.095 0.000 0.803 368 E CB -0.042 29.716 29.700 0.097 0.000 0.750 368 E HN 0.265 nan 8.360 nan 0.000 0.448 369 S N -1.038 114.755 115.700 0.156 0.000 2.453 369 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 369 S C 1.939 176.737 174.600 0.329 0.000 1.005 369 S CA 1.180 59.504 58.200 0.207 0.000 0.949 369 S CB -0.193 63.121 63.200 0.190 0.000 0.774 369 S HN 0.236 nan 8.310 nan 0.000 0.510 370 T N 1.705 116.400 114.554 0.235 0.000 2.985 370 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 370 T C 1.932 176.693 174.700 0.101 0.000 1.076 370 T CA 0.831 63.000 62.100 0.115 0.000 1.135 370 T CB -0.156 68.664 68.868 -0.079 0.000 0.890 370 T HN 0.330 nan 8.240 nan 0.000 0.480 371 Q N 1.244 121.095 119.800 0.085 0.000 2.020 371 Q HA 0.020 4.360 4.340 -0.000 0.000 0.198 371 Q C 2.315 178.391 176.000 0.127 0.000 0.974 371 Q CA 1.136 56.977 55.803 0.064 0.000 0.829 371 Q CB -0.332 28.431 28.738 0.042 0.000 0.894 371 Q HN 0.457 nan 8.270 nan 0.000 0.433 372 K N 0.259 120.748 120.400 0.149 0.000 2.218 372 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 372 K C 1.781 178.537 176.600 0.259 0.000 1.046 372 K CA 1.197 57.585 56.287 0.169 0.000 0.933 372 K CB 0.041 32.626 32.500 0.143 0.000 0.728 372 K HN 0.137 nan 8.250 nan 0.000 0.454 373 A N 0.359 123.377 122.820 0.329 0.000 1.855 373 A HA 0.008 4.328 4.320 -0.000 0.000 0.213 373 A C 2.548 180.450 177.584 0.530 0.000 1.195 373 A CA 1.334 53.657 52.037 0.477 0.000 0.610 373 A CB -1.248 18.095 19.000 0.572 0.000 0.837 373 A HN 0.374 nan 8.150 nan 0.000 0.444 374 F N 0.403 120.617 119.950 0.440 0.000 2.161 374 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 374 F C 2.050 177.953 175.800 0.172 0.000 1.089 374 F CA 2.232 60.378 58.000 0.244 0.000 1.282 374 F CB -1.140 37.821 39.000 -0.066 0.000 1.010 374 F HN 0.348 nan 8.300 nan 0.000 0.485 375 D N 0.011 120.501 120.400 0.150 0.000 2.084 375 D HA -0.017 4.623 4.640 -0.000 0.000 0.196 375 D C 2.590 178.954 176.300 0.106 0.000 0.985 375 D CA 1.714 55.777 54.000 0.104 0.000 0.826 375 D CB -1.169 39.686 40.800 0.092 0.000 0.978 375 D HN 0.378 nan 8.370 nan 0.000 0.456 376 G N 1.368 110.254 108.800 0.144 0.000 2.453 376 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 376 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 376 G C 1.594 176.507 174.900 0.022 0.000 1.201 376 G CA 0.289 45.428 45.100 0.065 0.000 0.784 376 G HN 0.170 nan 8.290 nan 0.000 0.545 377 I N 1.625 122.254 120.570 0.099 0.000 2.399 377 I HA -0.164 4.006 4.170 -0.000 0.000 0.254 377 I C 2.803 178.976 176.117 0.093 0.000 1.146 377 I CA 1.503 62.858 61.300 0.092 0.000 1.412 377 I CB -1.395 36.749 38.000 0.240 0.000 1.076 377 I HN 0.123 nan 8.210 nan 0.000 0.432 378 T N 1.044 115.659 114.554 0.101 0.000 2.701 378 T HA -0.150 4.199 4.350 -0.000 0.000 0.263 378 T C 1.653 176.375 174.700 0.038 0.000 1.040 378 T CA 1.783 63.925 62.100 0.069 0.000 1.147 378 T CB -0.283 68.620 68.868 0.058 0.000 0.865 378 T HN 0.330 nan 8.240 nan 0.000 0.426 379 N N 0.761 119.475 118.700 0.023 0.000 2.205 379 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 379 N C 1.697 177.204 175.510 -0.005 0.000 1.015 379 N CA 0.875 53.929 53.050 0.006 0.000 0.862 379 N CB -0.120 38.365 38.487 -0.002 0.000 0.986 379 N HN 0.418 nan 8.380 nan 0.000 0.429 380 K N 0.719 121.108 120.400 -0.019 0.000 2.026 380 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 380 K C 1.601 178.206 176.600 0.008 0.000 1.048 380 K CA 1.075 57.347 56.287 -0.026 0.000 0.929 380 K CB -0.157 32.307 32.500 -0.061 0.000 0.713 380 K HN -0.049 nan 8.250 nan 0.000 0.439 381 V N 2.267 122.197 119.914 0.027 0.000 2.343 381 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 381 V C 1.965 178.080 176.094 0.035 0.000 1.051 381 V CA 1.993 64.318 62.300 0.042 0.000 1.036 381 V CB -0.705 31.151 31.823 0.056 0.000 0.654 381 V HN 0.422 nan 8.190 nan 0.000 0.451 382 N N 0.088 118.803 118.700 0.025 0.000 2.106 382 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 382 N C 2.140 177.657 175.510 0.012 0.000 1.029 382 N CA 1.707 54.766 53.050 0.016 0.000 0.848 382 N CB -0.619 37.875 38.487 0.012 0.000 1.007 382 N HN 0.346 nan 8.380 nan 0.000 0.423 383 S N 0.528 116.235 115.700 0.012 0.000 2.359 383 S HA -0.111 4.359 4.470 -0.000 0.000 0.223 383 S C 2.214 176.829 174.600 0.025 0.000 1.039 383 S CA 1.049 59.257 58.200 0.013 0.000 1.042 383 S CB -0.532 62.673 63.200 0.009 0.000 0.915 383 S HN 0.093 nan 8.310 nan 0.000 0.439 384 V N 1.673 121.611 119.914 0.038 0.000 2.370 384 V HA -0.229 3.891 4.120 -0.000 0.000 0.252 384 V C 1.863 177.990 176.094 0.055 0.000 1.068 384 V CA 1.770 64.113 62.300 0.071 0.000 1.061 384 V CB -0.619 31.258 31.823 0.089 0.000 0.656 384 V HN 0.434 nan 8.190 nan 0.000 0.455 385 I N -0.905 119.676 120.570 0.019 0.000 2.405 385 I HA -0.081 4.089 4.170 -0.000 0.000 0.236 385 I C 2.352 178.434 176.117 -0.058 0.000 1.071 385 I CA 0.851 62.131 61.300 -0.034 0.000 1.398 385 I CB -0.599 37.389 38.000 -0.020 0.000 1.162 385 I HN 0.180 nan 8.210 nan 0.000 0.432 386 E N 1.307 121.487 120.200 -0.032 0.000 2.333 386 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 386 E C 1.717 178.297 176.600 -0.033 0.000 1.010 386 E CA 1.006 57.386 56.400 -0.033 0.000 0.841 386 E CB -0.049 29.641 29.700 -0.016 0.000 0.757 386 E HN 0.394 nan 8.360 nan 0.000 0.508 387 K N 0.016 120.402 120.400 -0.023 0.000 2.379 387 K HA 0.065 4.385 4.320 -0.000 0.000 0.194 387 K C 0.629 177.217 176.600 -0.020 0.000 1.031 387 K CA -0.212 56.071 56.287 -0.007 0.000 1.037 387 K CB 0.097 32.609 32.500 0.020 0.000 0.824 387 K HN 0.068 nan 8.250 nan 0.000 0.516 388 M N 2.214 121.768 119.600 -0.076 0.000 2.260 388 M HA -0.056 4.424 4.480 -0.000 0.000 0.348 388 M C -0.162 176.055 176.300 -0.139 0.000 1.342 388 M CA 0.606 55.810 55.300 -0.159 0.000 1.040 388 M CB -0.053 32.352 32.600 -0.326 0.000 1.810 388 M HN -0.002 nan 8.290 nan 0.000 0.453 389 N N 2.064 120.689 118.700 -0.125 0.000 2.499 389 N HA 0.357 5.097 4.740 -0.000 0.000 0.281 389 N C -1.383 174.041 175.510 -0.143 0.000 1.098 389 N CA -0.258 52.738 53.050 -0.091 0.000 0.979 389 N CB 0.717 39.188 38.487 -0.027 0.000 1.121 389 N HN 0.726 nan 8.380 nan 0.000 0.466 390 T N 1.824 116.317 114.554 -0.102 0.000 3.031 390 T HA 0.266 4.616 4.350 -0.000 0.000 0.305 390 T C -1.206 173.463 174.700 -0.051 0.000 0.985 390 T CA -0.530 61.507 62.100 -0.105 0.000 1.008 390 T CB 0.919 69.718 68.868 -0.116 0.000 1.005 390 T HN 0.553 nan 8.240 nan 0.000 0.444 391 Q N 2.433 122.209 119.800 -0.040 0.000 2.572 391 Q HA 0.577 4.917 4.340 -0.000 0.000 0.284 391 Q C -1.060 174.967 176.000 0.045 0.000 1.091 391 Q CA -1.064 54.751 55.803 0.020 0.000 0.840 391 Q CB 2.007 30.763 28.738 0.030 0.000 1.433 391 Q HN 0.712 nan 8.270 nan 0.000 0.471 392 F N 0.696 120.625 119.950 -0.034 0.000 2.412 392 F HA 0.472 4.999 4.527 -0.000 0.000 0.348 392 F C -0.199 175.584 175.800 -0.027 0.000 1.102 392 F CA 0.437 58.418 58.000 -0.032 0.000 1.196 392 F CB 0.471 39.456 39.000 -0.026 0.000 1.144 392 F HN 0.631 nan 8.300 nan 0.000 0.541 393 E N 3.764 123.636 120.200 -0.546 0.000 2.381 393 E HA 0.651 5.001 4.350 -0.000 0.000 0.286 393 E C -1.989 174.366 176.600 -0.408 0.000 0.960 393 E CA -0.544 55.702 56.400 -0.257 0.000 0.793 393 E CB 0.850 30.475 29.700 -0.125 0.000 1.225 393 E HN 1.101 nan 8.360 nan 0.000 0.420 394 A N 1.297 124.017 122.820 -0.165 0.000 2.292 394 A HA 0.671 4.991 4.320 -0.000 0.000 0.319 394 A C 0.945 178.496 177.584 -0.055 0.000 1.206 394 A CA -0.049 51.913 52.037 -0.124 0.000 0.835 394 A CB 0.988 19.976 19.000 -0.020 0.000 1.164 394 A HN 1.115 nan 8.150 nan 0.000 0.505 395 V N 2.687 122.561 119.914 -0.065 0.000 2.575 395 V HA 0.099 4.219 4.120 -0.000 0.000 0.242 395 V C 1.590 177.687 176.094 0.005 0.000 1.045 395 V CA 1.407 63.691 62.300 -0.026 0.000 1.065 395 V CB -0.660 31.137 31.823 -0.044 0.000 0.717 395 V HN 0.927 nan 8.190 nan 0.000 0.467 396 G N 2.448 111.243 108.800 -0.008 0.000 2.339 396 G HA2 0.497 4.457 3.960 -0.000 0.000 0.287 396 G HA3 0.497 4.457 3.960 -0.000 0.000 0.287 396 G C -0.271 174.615 174.900 -0.022 0.000 1.163 396 G CA -0.326 44.775 45.100 0.003 0.000 0.872 396 G HN 0.353 nan 8.290 nan 0.000 0.464 397 K N 1.610 121.983 120.400 -0.046 0.000 2.316 397 K HA 0.632 4.952 4.320 -0.000 0.000 0.234 397 K C -0.929 175.465 176.600 -0.343 0.000 1.054 397 K CA -0.929 55.240 56.287 -0.197 0.000 0.879 397 K CB 1.955 34.283 32.500 -0.287 0.000 1.252 397 K HN 0.349 nan 8.250 nan 0.000 0.471 398 E N 0.652 120.533 120.200 -0.532 0.000 2.195 398 E HA 0.497 4.847 4.350 -0.000 0.000 0.271 398 E C -1.044 175.116 176.600 -0.732 0.000 0.923 398 E CA -0.615 55.516 56.400 -0.449 0.000 0.790 398 E CB 1.204 30.728 29.700 -0.293 0.000 1.155 398 E HN 0.382 nan 8.360 nan 0.000 0.402 399 F N 0.167 120.109 119.950 -0.014 0.000 2.578 399 F HA 0.211 4.738 4.527 -0.000 0.000 0.311 399 F C 0.842 176.652 175.800 0.017 0.000 1.094 399 F CA -0.937 57.064 58.000 0.001 0.000 0.923 399 F CB 1.719 40.721 39.000 0.003 0.000 1.230 399 F HN 0.302 nan 8.300 nan 0.000 0.450 400 S N 0.598 116.425 115.700 0.211 0.000 2.608 400 S HA 0.103 4.573 4.470 -0.000 0.000 0.261 400 S C 0.895 175.573 174.600 0.131 0.000 1.314 400 S CA -0.306 57.984 58.200 0.151 0.000 0.992 400 S CB 0.702 63.984 63.200 0.137 0.000 0.935 400 S HN 0.704 nan 8.310 nan 0.000 0.564 401 N N -0.280 118.480 118.700 0.099 0.000 2.364 401 N HA 0.026 4.766 4.740 -0.000 0.000 0.183 401 N C 0.764 176.309 175.510 0.057 0.000 1.022 401 N CA 0.778 53.872 53.050 0.072 0.000 0.883 401 N CB -0.391 38.132 38.487 0.060 0.000 0.965 401 N HN 0.560 nan 8.380 nan 0.000 0.438 402 L N 0.504 121.766 121.223 0.065 0.000 2.791 402 L HA 0.249 4.589 4.340 -0.000 0.000 0.239 402 L C 0.009 176.908 176.870 0.049 0.000 1.203 402 L CA 0.545 55.414 54.840 0.048 0.000 1.002 402 L CB -0.282 41.805 42.059 0.048 0.000 1.295 402 L HN 0.189 nan 8.230 nan 0.000 0.504 403 E N -1.006 119.231 120.200 0.062 0.000 2.869 403 E HA 0.036 4.386 4.350 -0.000 0.000 0.207 403 E C 0.903 177.479 176.600 -0.040 0.000 0.986 403 E CA -0.259 56.172 56.400 0.052 0.000 1.131 403 E CB 0.805 30.607 29.700 0.170 0.000 1.098 403 E HN -0.053 nan 8.360 nan 0.000 0.459 404 K N 1.250 121.627 120.400 -0.038 0.000 2.020 404 K HA -0.115 4.205 4.320 -0.000 0.000 0.212 404 K C 1.846 178.362 176.600 -0.140 0.000 1.050 404 K CA 1.370 57.609 56.287 -0.079 0.000 0.929 404 K CB -0.100 32.375 32.500 -0.041 0.000 0.714 404 K HN 0.099 nan 8.250 nan 0.000 0.443 405 R N -0.082 120.355 120.500 -0.105 0.000 2.080 405 R HA -0.143 4.197 4.340 -0.000 0.000 0.236 405 R C 2.252 178.447 176.300 -0.175 0.000 1.137 405 R CA 1.506 57.539 56.100 -0.111 0.000 0.943 405 R CB -0.678 29.582 30.300 -0.067 0.000 0.846 405 R HN 0.112 nan 8.270 nan 0.000 0.431 406 L N 1.588 122.697 121.223 -0.191 0.000 2.013 406 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 406 L C 2.233 178.714 176.870 -0.648 0.000 1.073 406 L CA 1.979 56.661 54.840 -0.263 0.000 0.753 406 L CB -0.602 41.389 42.059 -0.115 0.000 0.890 406 L HN 0.233 nan 8.230 nan 0.000 0.432 407 E N -0.896 118.698 120.200 -1.011 0.000 2.110 407 E HA -0.296 4.054 4.350 -0.000 0.000 0.193 407 E C 1.966 178.222 176.600 -0.573 0.000 0.988 407 E CA 1.435 56.974 56.400 -1.435 0.000 0.804 407 E CB -0.178 29.006 29.700 -0.860 0.000 0.745 407 E HN 0.652 nan 8.360 nan 0.000 0.458 408 N N 0.214 118.711 118.700 -0.337 0.000 2.142 408 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 408 N C 1.939 177.359 175.510 -0.151 0.000 1.023 408 N CA 0.857 53.797 53.050 -0.183 0.000 0.852 408 N CB -0.223 38.187 38.487 -0.128 0.000 0.998 408 N HN 0.181 nan 8.380 nan 0.000 0.424 409 L N 0.935 122.060 121.223 -0.163 0.000 2.043 409 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 409 L C 1.798 178.626 176.870 -0.071 0.000 1.075 409 L CA 1.874 56.653 54.840 -0.102 0.000 0.752 409 L CB -0.882 41.124 42.059 -0.088 0.000 0.891 409 L HN 0.383 nan 8.230 nan 0.000 0.432 410 N N -0.738 117.902 118.700 -0.100 0.000 2.270 410 N HA -0.244 4.496 4.740 -0.000 0.000 0.181 410 N C 1.939 177.466 175.510 0.029 0.000 1.016 410 N CA 1.368 54.424 53.050 0.011 0.000 0.870 410 N CB -0.225 38.330 38.487 0.113 0.000 0.979 410 N HN 0.447 nan 8.380 nan 0.000 0.431 411 K N 0.928 121.314 120.400 -0.024 0.000 2.007 411 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 411 K C 2.051 178.651 176.600 -0.001 0.000 1.047 411 K CA 1.186 57.474 56.287 0.001 0.000 0.937 411 K CB -0.220 32.265 32.500 -0.024 0.000 0.718 411 K HN 0.100 nan 8.250 nan 0.000 0.438 412 K N 0.574 120.957 120.400 -0.030 0.000 2.211 412 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 412 K C 2.177 178.750 176.600 -0.046 0.000 1.047 412 K CA 1.433 57.696 56.287 -0.040 0.000 0.935 412 K CB -0.080 32.386 32.500 -0.057 0.000 0.728 412 K HN 0.246 nan 8.250 nan 0.000 0.452 413 M N 0.457 120.046 119.600 -0.019 0.000 2.156 413 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 413 M C 1.428 177.776 176.300 0.079 0.000 1.067 413 M CA 1.606 56.899 55.300 -0.011 0.000 1.131 413 M CB -0.074 32.569 32.600 0.071 0.000 1.368 413 M HN 0.168 nan 8.290 nan 0.000 0.416 414 E N 0.760 121.041 120.200 0.134 0.000 2.031 414 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 414 E C 1.636 178.335 176.600 0.165 0.000 0.994 414 E CA 1.450 57.966 56.400 0.194 0.000 0.800 414 E CB -0.619 29.158 29.700 0.128 0.000 0.752 414 E HN 0.551 nan 8.360 nan 0.000 0.447 415 D N 0.298 120.746 120.400 0.081 0.000 2.123 415 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 415 D C 1.978 178.295 176.300 0.029 0.000 0.992 415 D CA 1.469 55.504 54.000 0.058 0.000 0.833 415 D CB -0.715 40.095 40.800 0.016 0.000 0.954 415 D HN 0.305 nan 8.370 nan 0.000 0.455 416 G N 0.020 108.787 108.800 -0.055 0.000 2.476 416 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 416 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 416 G C 1.377 176.184 174.900 -0.153 0.000 1.164 416 G CA 0.460 45.452 45.100 -0.180 0.000 0.768 416 G HN 0.206 nan 8.290 nan 0.000 0.560 417 F N -0.049 119.937 119.950 0.060 0.000 2.407 417 F HA 0.177 4.704 4.527 -0.000 0.000 0.299 417 F C 2.311 178.233 175.800 0.204 0.000 1.097 417 F CA 0.254 58.321 58.000 0.112 0.000 1.422 417 F CB -0.358 38.767 39.000 0.208 0.000 1.067 417 F HN 0.112 nan 8.300 nan 0.000 0.539 418 L N 0.053 121.478 121.223 0.336 0.000 2.072 418 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 418 L C 1.848 178.838 176.870 0.200 0.000 1.079 418 L CA 1.811 56.829 54.840 0.296 0.000 0.752 418 L CB -0.690 41.509 42.059 0.233 0.000 0.906 418 L HN -0.108 nan 8.230 nan 0.000 0.436 419 D N -0.971 119.494 120.400 0.109 0.000 2.178 419 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 419 D C 2.314 178.643 176.300 0.049 0.000 0.980 419 D CA 1.366 55.397 54.000 0.052 0.000 0.842 419 D CB -0.200 40.589 40.800 -0.019 0.000 0.948 419 D HN 0.251 nan 8.370 nan 0.000 0.472 420 V N -0.352 119.571 119.914 0.015 0.000 2.255 420 V HA -0.179 3.941 4.120 -0.000 0.000 0.243 420 V C 2.023 178.098 176.094 -0.031 0.000 1.038 420 V CA 1.280 63.533 62.300 -0.078 0.000 1.008 420 V CB -0.633 31.060 31.823 -0.215 0.000 0.645 420 V HN 0.277 nan 8.190 nan 0.000 0.449 421 W N 0.165 121.564 121.300 0.165 0.000 2.392 421 W HA -0.159 4.501 4.660 0.000 0.000 0.279 421 W C 2.560 179.121 176.519 0.069 0.000 1.225 421 W CA 1.356 58.793 57.345 0.153 0.000 1.233 421 W CB -0.526 29.044 29.460 0.183 0.000 1.122 421 W HN 0.158 nan 8.180 nan 0.000 0.561 422 T N -0.624 114.075 114.554 0.241 0.000 2.668 422 T HA -0.261 4.089 4.350 -0.000 0.000 0.258 422 T C 1.325 176.073 174.700 0.080 0.000 1.051 422 T CA 1.462 63.617 62.100 0.093 0.000 1.155 422 T CB -0.890 68.014 68.868 0.060 0.000 0.864 422 T HN 0.057 nan 8.240 nan 0.000 0.413 423 Y N 2.854 123.141 120.300 -0.022 0.000 2.002 423 Y HA -0.327 4.223 4.550 0.000 0.000 0.268 423 Y C 2.393 178.271 175.900 -0.036 0.000 1.177 423 Y CA 2.016 60.093 58.100 -0.040 0.000 1.111 423 Y CB -0.763 37.668 38.460 -0.048 0.000 0.952 423 Y HN 0.164 nan 8.280 nan 0.000 0.491 424 N N -0.033 118.748 118.700 0.133 0.000 2.049 424 N HA -0.282 4.458 4.740 -0.000 0.000 0.198 424 N C 1.902 177.418 175.510 0.009 0.000 1.030 424 N CA 2.040 55.124 53.050 0.058 0.000 0.870 424 N CB -1.029 37.504 38.487 0.076 0.000 1.045 424 N HN 0.556 nan 8.380 nan 0.000 0.434 425 A N 0.364 123.187 122.820 0.006 0.000 1.898 425 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 425 A C 2.203 179.649 177.584 -0.231 0.000 1.181 425 A CA 1.572 53.493 52.037 -0.195 0.000 0.620 425 A CB -0.596 17.979 19.000 -0.709 0.000 0.819 425 A HN 0.331 nan 8.150 nan 0.000 0.442 426 E N -0.134 119.938 120.200 -0.214 0.000 2.110 426 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 426 E C 1.891 178.363 176.600 -0.213 0.000 0.988 426 E CA 1.116 57.391 56.400 -0.208 0.000 0.804 426 E CB -0.158 29.433 29.700 -0.182 0.000 0.745 426 E HN 0.600 nan 8.360 nan 0.000 0.458 427 L N -0.270 120.792 121.223 -0.269 0.000 2.095 427 L HA -0.056 4.284 4.340 -0.000 0.000 0.204 427 L C 2.426 179.212 176.870 -0.141 0.000 1.080 427 L CA 0.511 55.204 54.840 -0.246 0.000 0.759 427 L CB -0.467 41.381 42.059 -0.352 0.000 0.914 427 L HN 0.261 nan 8.230 nan 0.000 0.439 428 L N -0.287 120.875 121.223 -0.102 0.000 2.189 428 L HA -0.215 4.125 4.340 -0.000 0.000 0.214 428 L C 2.266 179.110 176.870 -0.043 0.000 1.097 428 L CA 1.324 56.140 54.840 -0.041 0.000 0.764 428 L CB -0.190 41.879 42.059 0.017 0.000 0.900 428 L HN -0.070 nan 8.230 nan 0.000 0.436 429 V N -0.899 118.971 119.914 -0.074 0.000 2.302 429 V HA -0.241 3.879 4.120 -0.000 0.000 0.243 429 V C 2.326 178.385 176.094 -0.059 0.000 1.036 429 V CA 1.636 63.898 62.300 -0.062 0.000 1.020 429 V CB -0.233 31.539 31.823 -0.085 0.000 0.657 429 V HN 0.356 nan 8.190 nan 0.000 0.453 430 L N -0.811 120.364 121.223 -0.080 0.000 1.933 430 L HA -0.167 4.173 4.340 -0.000 0.000 0.220 430 L C 1.467 178.304 176.870 -0.055 0.000 1.078 430 L CA 1.471 56.268 54.840 -0.071 0.000 0.773 430 L CB -0.632 41.372 42.059 -0.090 0.000 0.890 430 L HN 0.307 nan 8.230 nan 0.000 0.434 431 M N -0.043 119.522 119.600 -0.059 0.000 2.243 431 M HA -0.098 4.382 4.480 -0.000 0.000 0.309 431 M C 0.972 177.252 176.300 -0.033 0.000 1.050 431 M CA 0.571 55.846 55.300 -0.042 0.000 1.139 431 M CB 0.206 32.780 32.600 -0.044 0.000 1.457 431 M HN 0.224 nan 8.290 nan 0.000 0.440 432 E N -0.937 119.248 120.200 -0.025 0.000 4.289 432 E HA -0.212 4.138 4.350 -0.000 0.000 0.351 432 E C 0.595 177.187 176.600 -0.013 0.000 0.606 432 E CA 1.672 58.058 56.400 -0.023 0.000 1.464 432 E CB -1.241 28.448 29.700 -0.019 0.000 1.831 432 E HN 0.848 nan 8.360 nan 0.000 0.400 433 N N 0.433 119.126 118.700 -0.012 0.000 2.349 433 N HA -0.027 4.713 4.740 -0.000 0.000 0.180 433 N C 1.605 177.116 175.510 0.002 0.000 1.024 433 N CA 1.324 54.372 53.050 -0.003 0.000 0.869 433 N CB -0.226 38.253 38.487 -0.014 0.000 1.022 433 N HN 0.103 nan 8.380 nan 0.000 0.433 434 E N 0.408 120.603 120.200 -0.009 0.000 2.267 434 E HA -0.047 4.303 4.350 -0.000 0.000 0.197 434 E C 1.452 178.063 176.600 0.018 0.000 0.998 434 E CA 1.124 57.522 56.400 -0.004 0.000 0.830 434 E CB 0.008 29.699 29.700 -0.015 0.000 0.751 434 E HN 0.367 nan 8.360 nan 0.000 0.491 435 M N -1.931 117.678 119.600 0.016 0.000 2.615 435 M HA 0.050 4.530 4.480 -0.000 0.000 0.262 435 M C 1.873 178.199 176.300 0.042 0.000 1.198 435 M CA 0.759 56.075 55.300 0.027 0.000 1.165 435 M CB 0.180 32.775 32.600 -0.009 0.000 1.310 435 M HN -0.029 nan 8.290 nan 0.000 0.494 436 T N 1.766 116.339 114.554 0.031 0.000 2.737 436 T HA -0.064 4.286 4.350 -0.000 0.000 0.265 436 T C 1.816 176.616 174.700 0.167 0.000 1.038 436 T CA 1.102 63.240 62.100 0.063 0.000 1.144 436 T CB -0.077 68.829 68.868 0.065 0.000 0.866 436 T HN 0.057 nan 8.240 nan 0.000 0.434 437 L N 1.769 123.068 121.223 0.126 0.000 1.970 437 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 437 L C 2.149 179.082 176.870 0.106 0.000 1.071 437 L CA 1.787 56.693 54.840 0.110 0.000 0.751 437 L CB -0.977 41.093 42.059 0.018 0.000 0.889 437 L HN 0.186 nan 8.230 nan 0.000 0.432 438 D N -1.418 119.052 120.400 0.117 0.000 2.351 438 D HA -0.214 4.426 4.640 -0.000 0.000 0.216 438 D C 2.008 178.423 176.300 0.192 0.000 0.968 438 D CA 0.672 54.790 54.000 0.196 0.000 0.899 438 D CB -0.144 40.794 40.800 0.230 0.000 0.907 438 D HN 0.255 nan 8.370 nan 0.000 0.514 439 F N 1.446 121.357 119.950 -0.066 0.000 2.128 439 F HA -0.146 4.381 4.527 0.000 0.000 0.295 439 F C 2.319 177.932 175.800 -0.311 0.000 1.100 439 F CA 1.432 59.303 58.000 -0.214 0.000 1.260 439 F CB -0.289 38.564 39.000 -0.246 0.000 1.009 439 F HN 0.022 nan 8.300 nan 0.000 0.476 440 H N -0.537 118.376 119.070 -0.263 0.000 2.290 440 H HA -0.188 4.368 4.556 -0.000 0.000 0.298 440 H C 1.901 176.956 175.328 -0.455 0.000 1.087 440 H CA 1.958 57.769 56.048 -0.397 0.000 1.291 440 H CB -0.842 28.749 29.762 -0.284 0.000 1.369 440 H HN 0.273 nan 8.280 nan 0.000 0.492 441 D N 0.312 120.599 120.400 -0.189 0.000 2.190 441 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 441 D C 2.332 178.444 176.300 -0.314 0.000 0.992 441 D CA 1.456 55.331 54.000 -0.209 0.000 0.854 441 D CB -0.125 40.658 40.800 -0.028 0.000 0.936 441 D HN 0.221 nan 8.370 nan 0.000 0.462 442 S N -1.129 114.209 115.700 -0.603 0.000 2.470 442 S HA -0.003 4.467 4.470 -0.000 0.000 0.225 442 S C 1.699 175.861 174.600 -0.730 0.000 1.006 442 S CA 0.342 57.889 58.200 -1.088 0.000 0.934 442 S CB -0.224 61.900 63.200 -1.794 0.000 0.778 442 S HN 0.194 nan 8.310 nan 0.000 0.517 443 N N 1.362 119.601 118.700 -0.767 0.000 2.216 443 N HA -0.003 4.737 4.740 -0.000 0.000 0.183 443 N C 1.713 176.792 175.510 -0.718 0.000 1.017 443 N CA 1.170 53.726 53.050 -0.825 0.000 0.861 443 N CB -0.569 37.204 38.487 -1.190 0.000 0.986 443 N HN 0.265 nan 8.380 nan 0.000 0.428 444 V N 1.825 121.359 119.914 -0.633 0.000 2.221 444 V HA -0.222 3.898 4.120 -0.000 0.000 0.242 444 V C 2.312 178.329 176.094 -0.128 0.000 1.041 444 V CA 1.756 63.851 62.300 -0.341 0.000 0.995 444 V CB -0.569 31.145 31.823 -0.183 0.000 0.635 444 V HN 0.296 nan 8.190 nan 0.000 0.448 445 K N 0.811 121.157 120.400 -0.089 0.000 2.442 445 K HA -0.212 4.108 4.320 -0.000 0.000 0.200 445 K C 1.491 178.147 176.600 0.093 0.000 1.045 445 K CA 1.952 58.299 56.287 0.099 0.000 0.937 445 K CB -0.424 32.160 32.500 0.141 0.000 0.757 445 K HN 0.442 nan 8.250 nan 0.000 0.474 446 N N -0.427 118.231 118.700 -0.071 0.000 2.376 446 N HA -0.004 4.736 4.740 -0.000 0.000 0.177 446 N C 1.056 176.559 175.510 -0.012 0.000 1.024 446 N CA 0.536 53.547 53.050 -0.065 0.000 0.893 446 N CB 0.011 38.391 38.487 -0.179 0.000 0.980 446 N HN 0.152 nan 8.380 nan 0.000 0.439 447 L N -0.599 120.614 121.223 -0.016 0.000 2.095 447 L HA 0.048 4.388 4.340 -0.000 0.000 0.204 447 L C 1.669 178.625 176.870 0.144 0.000 1.080 447 L CA 1.243 56.103 54.840 0.034 0.000 0.759 447 L CB -0.888 41.151 42.059 -0.035 0.000 0.914 447 L HN 0.192 nan 8.230 nan 0.000 0.439 448 Y N 0.164 120.530 120.300 0.109 0.000 2.365 448 Y HA -0.274 4.276 4.550 -0.000 0.000 0.287 448 Y C 1.822 177.843 175.900 0.202 0.000 1.162 448 Y CA 1.962 60.207 58.100 0.242 0.000 1.260 448 Y CB -0.051 38.616 38.460 0.345 0.000 0.976 448 Y HN 0.328 nan 8.280 nan 0.000 0.548 449 D N -0.953 119.539 120.400 0.154 0.000 2.338 449 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 449 D C 1.916 178.198 176.300 -0.030 0.000 0.997 449 D CA 0.517 54.546 54.000 0.049 0.000 0.880 449 D CB -0.179 40.676 40.800 0.093 0.000 0.980 449 D HN 0.288 nan 8.370 nan 0.000 0.509 450 K N 0.965 121.361 120.400 -0.008 0.000 2.280 450 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 450 K C 1.508 178.055 176.600 -0.088 0.000 1.047 450 K CA 0.675 56.949 56.287 -0.022 0.000 0.942 450 K CB 0.307 32.823 32.500 0.027 0.000 0.739 450 K HN -0.061 nan 8.250 nan 0.000 0.457 451 V N 0.616 120.435 119.914 -0.158 0.000 2.398 451 V HA -0.091 4.029 4.120 -0.000 0.000 0.236 451 V C 2.398 178.141 176.094 -0.584 0.000 1.054 451 V CA 1.285 63.360 62.300 -0.375 0.000 1.060 451 V CB -0.458 31.103 31.823 -0.437 0.000 0.707 451 V HN 0.354 nan 8.190 nan 0.000 0.480 452 R N -0.139 119.985 120.500 -0.626 0.000 2.153 452 R HA -0.240 4.100 4.340 -0.000 0.000 0.252 452 R C 2.078 178.211 176.300 -0.278 0.000 1.158 452 R CA 2.158 58.000 56.100 -0.429 0.000 0.975 452 R CB -0.245 30.003 30.300 -0.086 0.000 0.871 452 R HN 0.420 nan 8.270 nan 0.000 0.450 453 M N -0.318 119.154 119.600 -0.213 0.000 2.558 453 M HA -0.064 4.416 4.480 -0.000 0.000 0.255 453 M C 1.805 177.997 176.300 -0.179 0.000 1.113 453 M CA 1.030 56.237 55.300 -0.156 0.000 1.097 453 M CB 0.244 32.789 32.600 -0.091 0.000 1.426 453 M HN 0.288 nan 8.290 nan 0.000 0.488 454 Q N -0.057 119.596 119.800 -0.244 0.000 2.134 454 Q HA -0.036 4.304 4.340 -0.000 0.000 0.195 454 Q C 1.833 177.625 176.000 -0.347 0.000 0.958 454 Q CA 0.887 56.549 55.803 -0.234 0.000 0.840 454 Q CB 0.289 28.869 28.738 -0.264 0.000 0.918 454 Q HN 0.311 nan 8.270 nan 0.000 0.467 455 L N 0.347 121.250 121.223 -0.533 0.000 2.023 455 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 455 L C 1.177 177.928 176.870 -0.198 0.000 1.073 455 L CA 1.447 55.975 54.840 -0.521 0.000 0.745 455 L CB -0.756 40.868 42.059 -0.724 0.000 0.900 455 L HN 0.244 nan 8.230 nan 0.000 0.435 456 R N -0.250 120.120 120.500 -0.216 0.000 3.992 456 R HA -0.274 4.066 4.340 -0.000 0.000 0.330 456 R C 1.038 177.330 176.300 -0.014 0.000 0.242 456 R CA 1.522 57.540 56.100 -0.137 0.000 1.095 456 R CB -2.132 27.995 30.300 -0.288 0.000 1.002 456 R HN 0.464 nan 8.270 nan 0.000 0.559 457 D N 1.218 121.681 120.400 0.106 0.000 2.339 457 D HA 0.025 4.665 4.640 -0.000 0.000 0.217 457 D C 0.916 177.417 176.300 0.335 0.000 1.050 457 D CA 0.348 54.474 54.000 0.211 0.000 0.856 457 D CB -0.431 40.511 40.800 0.237 0.000 0.922 457 D HN 0.273 nan 8.370 nan 0.000 0.518 458 N N 0.235 119.167 118.700 0.386 0.000 2.519 458 N HA -0.024 4.716 4.740 -0.000 0.000 0.186 458 N C 0.518 176.144 175.510 0.195 0.000 1.062 458 N CA 0.878 54.201 53.050 0.454 0.000 0.910 458 N CB 0.357 39.222 38.487 0.631 0.000 0.958 458 N HN 0.432 nan 8.380 nan 0.000 0.445 459 V N -3.396 116.453 119.914 -0.107 0.000 3.216 459 V HA 0.484 4.604 4.120 -0.000 0.000 0.302 459 V C -0.896 174.903 176.094 -0.492 0.000 1.286 459 V CA -1.405 60.610 62.300 -0.474 0.000 1.048 459 V CB 2.342 33.762 31.823 -0.671 0.000 1.081 459 V HN 0.053 nan 8.190 nan 0.000 0.442 460 K N 0.615 120.611 120.400 -0.673 0.000 2.110 460 K HA 0.613 4.932 4.320 -0.000 0.000 0.263 460 K C -0.577 175.880 176.600 -0.238 0.000 0.975 460 K CA -0.457 55.580 56.287 -0.416 0.000 0.895 460 K CB 2.507 34.745 32.500 -0.436 0.000 1.060 460 K HN 0.868 nan 8.250 nan 0.000 0.448 461 E N 3.056 123.129 120.200 -0.212 0.000 2.028 461 E HA 0.060 4.410 4.350 -0.000 0.000 0.266 461 E C 0.171 176.610 176.600 -0.268 0.000 0.962 461 E CA -0.449 55.731 56.400 -0.366 0.000 0.784 461 E CB 0.436 29.963 29.700 -0.288 0.000 1.114 461 E HN 0.579 nan 8.360 nan 0.000 0.414 462 L N 3.261 124.331 121.223 -0.254 0.000 2.261 462 L HA -0.026 4.314 4.340 -0.000 0.000 0.216 462 L C 1.776 178.586 176.870 -0.100 0.000 1.114 462 L CA 1.750 56.514 54.840 -0.127 0.000 0.777 462 L CB -0.385 41.633 42.059 -0.068 0.000 0.910 462 L HN 0.894 nan 8.230 nan 0.000 0.440 463 G N -0.592 108.123 108.800 -0.142 0.000 2.159 463 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.256 463 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.256 463 G C 0.693 175.571 174.900 -0.036 0.000 0.977 463 G CA 0.571 45.586 45.100 -0.141 0.000 0.652 463 G HN 0.518 nan 8.290 nan 0.000 0.531 464 N N -0.215 118.510 118.700 0.042 0.000 2.177 464 N HA 0.426 5.166 4.740 -0.000 0.000 0.218 464 N C 1.514 177.154 175.510 0.216 0.000 1.182 464 N CA 0.878 54.009 53.050 0.134 0.000 0.882 464 N CB 0.307 38.853 38.487 0.098 0.000 1.052 464 N HN 1.537 nan 8.380 nan 0.000 0.519 465 G N -0.486 108.468 108.800 0.257 0.000 2.253 465 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.209 465 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.209 465 G C -0.159 175.006 174.900 0.441 0.000 0.997 465 G CA -0.003 45.350 45.100 0.423 0.000 0.640 465 G HN 0.425 nan 8.290 nan 0.000 0.496 466 c N 1.136 119.863 118.600 0.212 0.000 2.405 466 c HA 0.794 5.364 4.570 -0.000 0.000 0.365 466 c C 0.131 174.166 174.090 -0.091 0.000 1.233 466 c CA -0.536 55.901 56.329 0.180 0.000 2.230 466 c CB -0.107 42.502 42.510 0.164 0.000 2.443 466 c HN 0.285 nan 8.230 nan 0.000 0.556 467 F N 1.061 121.028 119.950 0.029 0.000 2.469 467 F HA 0.436 4.963 4.527 -0.000 0.000 0.332 467 F C 0.343 176.060 175.800 -0.138 0.000 1.103 467 F CA -0.453 57.466 58.000 -0.135 0.000 0.979 467 F CB 1.023 39.846 39.000 -0.295 0.000 1.137 467 F HN 0.556 nan 8.300 nan 0.000 0.463 468 E N 3.174 123.342 120.200 -0.053 0.000 2.133 468 E HA 0.324 4.674 4.350 -0.000 0.000 0.274 468 E C -1.306 175.186 176.600 -0.179 0.000 0.930 468 E CA -0.688 55.681 56.400 -0.050 0.000 0.770 468 E CB 0.841 30.507 29.700 -0.057 0.000 1.104 468 E HN 0.436 nan 8.360 nan 0.000 0.403 469 F N 3.327 123.190 119.950 -0.145 0.000 2.543 469 F HA 0.024 4.551 4.527 -0.000 0.000 0.375 469 F C 0.501 176.224 175.800 -0.129 0.000 1.075 469 F CA -0.019 57.833 58.000 -0.245 0.000 1.225 469 F CB 0.428 39.245 39.000 -0.305 0.000 1.099 469 F HN 0.614 nan 8.300 nan 0.000 0.561 470 Y N 3.397 123.697 120.300 0.001 0.000 2.581 470 Y HA 0.124 4.674 4.550 -0.000 0.000 0.346 470 Y C 0.179 176.224 175.900 0.242 0.000 1.147 470 Y CA -0.387 57.784 58.100 0.118 0.000 1.353 470 Y CB -1.786 36.770 38.460 0.160 0.000 1.187 470 Y HN 0.649 nan 8.280 nan 0.000 0.505 471 H N -3.751 115.564 119.070 0.409 0.000 2.963 471 H HA 0.420 4.976 4.556 -0.000 0.000 0.255 471 H C -1.251 174.213 175.328 0.228 0.000 1.516 471 H CA -1.442 54.790 56.048 0.308 0.000 1.181 471 H CB 0.570 30.543 29.762 0.351 0.000 1.900 471 H HN -0.349 nan 8.280 nan 0.000 0.686 472 K N 0.304 120.957 120.400 0.421 0.000 2.156 472 K HA 0.556 4.876 4.320 -0.000 0.000 0.271 472 K C -1.139 175.559 176.600 0.164 0.000 0.995 472 K CA -0.520 55.884 56.287 0.196 0.000 0.890 472 K CB 1.767 34.364 32.500 0.162 0.000 1.073 472 K HN 0.641 nan 8.250 nan 0.000 0.454 473 c N 4.755 123.269 118.600 -0.142 0.000 2.801 473 c HA 0.147 4.717 4.570 -0.000 0.000 0.296 473 c C -0.321 173.660 174.090 -0.182 0.000 1.054 473 c CA -0.948 55.202 56.329 -0.298 0.000 1.442 473 c CB -0.726 41.215 42.510 -0.948 0.000 1.860 473 c HN 0.872 nan 8.230 nan 0.000 0.459 474 D N 2.063 122.430 120.400 -0.054 0.000 2.352 474 D HA -0.004 4.636 4.640 -0.000 0.000 0.238 474 D C 0.545 176.815 176.300 -0.051 0.000 1.286 474 D CA -0.055 53.925 54.000 -0.033 0.000 0.923 474 D CB 0.691 41.494 40.800 0.005 0.000 1.146 474 D HN 0.365 nan 8.370 nan 0.000 0.471 475 D N -1.079 119.309 120.400 -0.020 0.000 2.390 475 D HA -0.070 4.570 4.640 -0.000 0.000 0.235 475 D C 1.056 177.333 176.300 -0.039 0.000 1.040 475 D CA 0.648 54.638 54.000 -0.017 0.000 0.923 475 D CB 0.073 40.886 40.800 0.021 0.000 0.886 475 D HN 0.442 nan 8.370 nan 0.000 0.532 476 E N -1.173 119.006 120.200 -0.034 0.000 2.434 476 E HA 0.057 4.406 4.350 -0.000 0.000 0.207 476 E C 1.600 178.180 176.600 -0.033 0.000 0.929 476 E CA 0.035 56.420 56.400 -0.026 0.000 1.001 476 E CB -0.170 29.528 29.700 -0.003 0.000 1.016 476 E HN 0.189 nan 8.360 nan 0.000 0.502 477 c N 0.269 118.841 118.600 -0.047 0.000 2.522 477 c HA 0.056 4.626 4.570 -0.000 0.000 0.280 477 c C 2.249 176.275 174.090 -0.106 0.000 1.303 477 c CA 0.366 56.647 56.329 -0.080 0.000 1.709 477 c CB -0.731 41.688 42.510 -0.153 0.000 2.071 477 c HN 0.361 nan 8.230 nan 0.000 0.492 478 M N 2.048 121.541 119.600 -0.178 0.000 2.115 478 M HA -0.153 4.327 4.480 -0.000 0.000 0.258 478 M C 1.913 178.073 176.300 -0.234 0.000 1.071 478 M CA 2.333 57.488 55.300 -0.242 0.000 1.100 478 M CB -2.394 29.985 32.600 -0.367 0.000 1.292 478 M HN 0.649 nan 8.290 nan 0.000 0.415 479 N N 0.449 119.028 118.700 -0.201 0.000 2.405 479 N HA -0.160 4.580 4.740 -0.000 0.000 0.189 479 N C 1.535 176.983 175.510 -0.102 0.000 1.021 479 N CA 1.941 54.900 53.050 -0.152 0.000 0.891 479 N CB -0.094 38.338 38.487 -0.091 0.000 0.955 479 N HN 0.451 nan 8.380 nan 0.000 0.443 480 S N -1.607 114.052 115.700 -0.067 0.000 2.446 480 S HA 0.038 4.508 4.470 -0.000 0.000 0.225 480 S C 1.844 176.452 174.600 0.013 0.000 1.016 480 S CA 0.576 58.770 58.200 -0.010 0.000 0.943 480 S CB -0.375 62.835 63.200 0.017 0.000 0.786 480 S HN 0.092 nan 8.310 nan 0.000 0.508 481 V N 2.693 122.593 119.914 -0.024 0.000 2.283 481 V HA -0.117 4.003 4.120 -0.000 0.000 0.243 481 V C 2.581 178.566 176.094 -0.182 0.000 1.039 481 V CA 2.070 64.325 62.300 -0.075 0.000 1.016 481 V CB -0.676 31.057 31.823 -0.150 0.000 0.650 481 V HN 0.529 nan 8.190 nan 0.000 0.449 482 K N 0.406 120.592 120.400 -0.357 0.000 2.103 482 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 482 K C 1.996 178.555 176.600 -0.068 0.000 1.048 482 K CA 1.571 57.652 56.287 -0.343 0.000 0.930 482 K CB -0.445 31.788 32.500 -0.445 0.000 0.716 482 K HN 0.283 nan 8.250 nan 0.000 0.444 483 N N 0.358 119.022 118.700 -0.059 0.000 2.417 483 N HA -0.137 4.603 4.740 -0.000 0.000 0.187 483 N C 1.180 176.703 175.510 0.021 0.000 1.027 483 N CA 1.406 54.453 53.050 -0.005 0.000 0.891 483 N CB -0.097 38.388 38.487 -0.005 0.000 0.956 483 N HN 0.475 nan 8.380 nan 0.000 0.442 484 G N -1.482 107.330 108.800 0.020 0.000 2.205 484 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.261 484 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.261 484 G C 0.161 175.091 174.900 0.049 0.000 0.980 484 G CA 0.908 46.030 45.100 0.036 0.000 0.632 484 G HN 0.636 nan 8.290 nan 0.000 0.533 485 T N -1.709 112.880 114.554 0.057 0.000 2.977 485 T HA 0.635 4.985 4.350 -0.000 0.000 0.346 485 T C -0.090 174.682 174.700 0.121 0.000 1.140 485 T CA -0.631 61.515 62.100 0.076 0.000 1.040 485 T CB 1.743 70.640 68.868 0.048 0.000 1.046 485 T HN 0.499 nan 8.240 nan 0.000 0.494 486 Y N 2.430 122.735 120.300 0.009 0.000 2.780 486 Y HA 0.565 5.115 4.550 -0.000 0.000 0.449 486 Y C 0.077 176.021 175.900 0.073 0.000 1.395 486 Y CA -0.312 57.802 58.100 0.023 0.000 1.864 486 Y CB 0.832 39.303 38.460 0.018 0.000 1.728 486 Y HN 0.628 nan 8.280 nan 0.000 0.686 487 D N -0.771 119.349 120.400 -0.466 0.000 3.171 487 D HA -0.027 4.613 4.640 -0.000 0.000 0.240 487 D C -0.486 175.718 176.300 -0.161 0.000 1.432 487 D CA -0.236 53.632 54.000 -0.220 0.000 0.892 487 D CB -1.069 39.635 40.800 -0.160 0.000 1.499 487 D HN 0.461 nan 8.370 nan 0.000 0.597 488 Y N 1.704 122.046 120.300 0.070 0.000 2.333 488 Y HA -0.100 4.450 4.550 0.000 0.000 0.290 488 Y C 1.848 177.809 175.900 0.101 0.000 1.144 488 Y CA 2.064 60.291 58.100 0.212 0.000 1.228 488 Y CB 0.229 38.840 38.460 0.252 0.000 0.985 488 Y HN 0.248 nan 8.280 nan 0.000 0.542 489 S N -0.848 114.877 115.700 0.042 0.000 2.851 489 S HA 0.080 4.550 4.470 -0.000 0.000 0.227 489 S C 1.185 175.710 174.600 -0.124 0.000 0.958 489 S CA 0.382 58.549 58.200 -0.055 0.000 0.990 489 S CB -0.112 63.107 63.200 0.032 0.000 0.790 489 S HN 0.598 nan 8.310 nan 0.000 0.509 490 K N 0.260 120.562 120.400 -0.163 0.000 2.550 490 K HA 0.259 4.579 4.320 -0.000 0.000 0.225 490 K C 0.495 176.907 176.600 -0.313 0.000 1.361 490 K CA -0.220 55.927 56.287 -0.233 0.000 0.801 490 K CB -0.280 32.063 32.500 -0.262 0.000 1.698 490 K HN 0.235 nan 8.250 nan 0.000 0.411 491 Y N 2.506 122.594 120.300 -0.353 0.000 2.751 491 Y HA -0.072 4.478 4.550 -0.000 0.000 0.310 491 Y C 1.911 177.563 175.900 -0.413 0.000 1.176 491 Y CA 0.969 58.769 58.100 -0.501 0.000 1.360 491 Y CB -0.123 37.826 38.460 -0.852 0.000 0.999 491 Y HN 0.434 nan 8.280 nan 0.000 0.532 492 E N 1.105 121.138 120.200 -0.278 0.000 2.051 492 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 492 E C 0.360 176.862 176.600 -0.164 0.000 0.991 492 E CA 0.592 56.782 56.400 -0.350 0.000 0.799 492 E CB 0.084 29.474 29.700 -0.518 0.000 0.748 492 E HN 0.344 nan 8.360 nan 0.000 0.449 493 E N 0.959 121.059 120.200 -0.167 0.000 1.939 493 E HA -0.068 4.282 4.350 -0.000 0.000 0.259 493 E C 0.166 176.709 176.600 -0.094 0.000 1.259 493 E CA 0.557 56.887 56.400 -0.117 0.000 0.971 493 E CB 0.918 30.537 29.700 -0.135 0.000 1.055 493 E HN 0.348 nan 8.360 nan 0.000 0.420 494 E N 0.399 120.581 120.200 -0.029 0.000 1.338 494 E HA -0.078 4.272 4.350 -0.000 0.000 0.206 494 E C -0.735 175.899 176.600 0.056 0.000 0.983 494 E CA 0.215 56.632 56.400 0.029 0.000 1.002 494 E CB -0.444 29.308 29.700 0.086 0.000 4.624 494 E HN 0.140 nan 8.360 nan 0.000 0.692 495 S N 3.007 118.739 115.700 0.053 0.000 4.684 495 S HA -0.044 4.426 4.470 -0.000 0.000 0.564 495 S C -0.109 174.466 174.600 -0.041 0.000 0.942 495 S CA 1.564 59.774 58.200 0.017 0.000 1.089 495 S CB -0.634 62.566 63.200 -0.001 0.000 1.736 495 S HN 0.484 nan 8.310 nan 0.000 0.387 496 K N 0.000 120.317 120.400 -0.138 0.000 2.780 496 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 496 K CA 0.000 56.172 56.287 -0.192 0.000 0.838 496 K CB 0.000 32.402 32.500 -0.163 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543