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_G 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 0.000 176.344 176.117 0.379 0.000 1.063 7 I CA 0.000 61.469 61.300 0.281 0.000 1.566 7 I CB 0.000 38.118 38.000 0.197 0.000 1.214 8 c N 6.442 125.304 118.600 0.437 0.000 2.408 8 c HA 0.668 5.239 4.570 0.001 0.000 0.321 8 c C -0.103 174.475 174.090 0.814 0.000 1.245 8 c CA -0.555 56.115 56.329 0.570 0.000 1.523 8 c CB 1.590 44.397 42.510 0.494 0.000 2.178 8 c HN 0.405 nan 8.230 nan 0.000 0.488 9 V N 3.698 124.037 119.914 0.708 0.000 2.439 9 V HA 0.865 4.985 4.120 0.001 0.000 0.282 9 V C 0.697 176.873 176.094 0.137 0.000 1.039 9 V CA 0.511 63.100 62.300 0.482 0.000 0.913 9 V CB 1.142 33.204 31.823 0.399 0.000 0.983 9 V HN 1.162 nan 8.190 nan 0.000 0.460 10 G N 3.602 112.170 108.800 -0.387 0.000 2.600 10 G HA2 0.674 4.635 3.960 0.001 0.000 0.293 10 G HA3 0.674 4.635 3.960 0.001 0.000 0.293 10 G C -1.883 172.527 174.900 -0.815 0.000 1.408 10 G CA -0.616 43.609 45.100 -1.458 0.000 0.782 10 G HN 0.706 nan 8.290 nan 0.000 0.482 11 Y N -1.595 118.297 120.300 -0.680 0.000 2.545 11 Y HA 0.769 5.319 4.550 0.001 0.000 0.348 11 Y C -0.035 175.789 175.900 -0.126 0.000 1.002 11 Y CA -1.768 56.209 58.100 -0.205 0.000 1.039 11 Y CB 0.831 39.236 38.460 -0.092 0.000 1.271 11 Y HN 0.784 nan 8.280 nan 0.000 0.467 12 H N 1.509 120.683 119.070 0.174 0.000 2.972 12 H HA 0.505 5.061 4.556 0.001 0.000 0.343 12 H C -0.480 174.925 175.328 0.128 0.000 1.054 12 H CA 0.874 57.006 56.048 0.139 0.000 1.412 12 H CB 0.328 30.228 29.762 0.230 0.000 1.385 12 H HN 1.113 nan 8.280 nan 0.000 0.600 13 S N 2.861 118.320 115.700 -0.401 0.000 2.627 13 S HA 0.688 5.158 4.470 0.001 0.000 0.283 13 S C -0.530 173.707 174.600 -0.604 0.000 1.127 13 S CA -0.373 57.574 58.200 -0.421 0.000 0.863 13 S CB 1.473 64.579 63.200 -0.157 0.000 1.121 13 S HN 1.062 nan 8.310 nan 0.000 0.479 14 N N -0.337 118.134 118.700 -0.383 0.000 3.339 14 N HA 0.240 4.980 4.740 0.001 0.000 0.275 14 N C -1.743 173.697 175.510 -0.117 0.000 1.514 14 N CA -0.778 52.154 53.050 -0.197 0.000 0.879 14 N CB 0.059 38.476 38.487 -0.117 0.000 1.557 14 N HN 0.274 nan 8.380 nan 0.000 0.524 15 N N -0.412 118.260 118.700 -0.046 0.000 2.878 15 N HA 0.055 4.795 4.740 0.001 0.000 0.282 15 N C -0.710 174.773 175.510 -0.045 0.000 1.284 15 N CA 0.156 53.185 53.050 -0.035 0.000 1.053 15 N CB -0.333 38.152 38.487 -0.003 0.000 1.382 15 N HN 0.503 nan 8.380 nan 0.000 0.529 16 S N -0.210 115.435 115.700 -0.090 0.000 2.508 16 S HA 0.315 4.786 4.470 0.001 0.000 0.284 16 S C 1.154 175.704 174.600 -0.083 0.000 1.192 16 S CA -0.533 57.609 58.200 -0.097 0.000 1.070 16 S CB 0.725 63.812 63.200 -0.188 0.000 1.004 16 S HN 0.410 nan 8.310 nan 0.000 0.493 17 T N 0.930 115.451 114.554 -0.056 0.000 3.044 17 T HA 0.330 4.680 4.350 0.001 0.000 0.260 17 T C 0.143 174.817 174.700 -0.044 0.000 1.019 17 T CA -0.351 61.721 62.100 -0.047 0.000 0.921 17 T CB -0.093 68.757 68.868 -0.030 0.000 1.053 17 T HN 0.619 nan 8.240 nan 0.000 0.533 18 E N 1.819 121.990 120.200 -0.048 0.000 2.360 18 E HA 0.354 4.704 4.350 0.001 0.000 0.269 18 E C -0.686 175.888 176.600 -0.043 0.000 1.022 18 E CA -0.160 56.219 56.400 -0.035 0.000 0.887 18 E CB 0.754 30.442 29.700 -0.021 0.000 0.990 18 E HN 0.128 nan 8.360 nan 0.000 0.426 19 K N 1.251 121.631 120.400 -0.033 0.000 2.164 19 K HA 0.360 4.680 4.320 0.001 0.000 0.258 19 K C -0.685 175.896 176.600 -0.030 0.000 0.951 19 K CA -0.609 55.656 56.287 -0.036 0.000 0.844 19 K CB 1.744 34.224 32.500 -0.033 0.000 1.099 19 K HN 0.348 nan 8.250 nan 0.000 0.435 20 V N -1.704 118.189 119.914 -0.035 0.000 3.074 20 V HA 0.664 4.785 4.120 0.001 0.000 0.314 20 V C -0.997 175.076 176.094 -0.034 0.000 1.117 20 V CA -0.902 61.380 62.300 -0.030 0.000 1.014 20 V CB 2.217 34.024 31.823 -0.026 0.000 1.057 20 V HN 0.564 nan 8.190 nan 0.000 0.438 21 D N 1.522 121.901 120.400 -0.035 0.000 2.198 21 D HA 0.753 5.394 4.640 0.001 0.000 0.247 21 D C 0.253 176.531 176.300 -0.037 0.000 1.010 21 D CA 0.101 54.079 54.000 -0.037 0.000 0.880 21 D CB 2.044 42.820 40.800 -0.040 0.000 1.209 21 D HN 1.120 nan 8.370 nan 0.000 0.451 22 T N -2.048 112.484 114.554 -0.036 0.000 2.807 22 T HA 0.423 4.773 4.350 0.001 0.000 0.277 22 T C 0.993 175.672 174.700 -0.036 0.000 1.006 22 T CA -0.723 61.356 62.100 -0.034 0.000 1.006 22 T CB 0.710 69.560 68.868 -0.029 0.000 1.274 22 T HN 0.247 nan 8.240 nan 0.000 0.569 23 I N -0.293 120.257 120.570 -0.034 0.000 2.500 23 I HA 0.164 4.334 4.170 0.001 0.000 0.252 23 I C 1.688 177.786 176.117 -0.031 0.000 1.142 23 I CA 0.915 62.194 61.300 -0.035 0.000 1.451 23 I CB -0.062 37.918 38.000 -0.034 0.000 1.093 23 I HN 0.552 nan 8.210 nan 0.000 0.430 24 L N -0.540 120.665 121.223 -0.030 0.000 2.554 24 L HA 0.233 4.574 4.340 0.001 0.000 0.225 24 L C 0.494 177.345 176.870 -0.030 0.000 1.104 24 L CA 0.107 54.929 54.840 -0.030 0.000 0.866 24 L CB 0.088 42.128 42.059 -0.031 0.000 1.047 24 L HN 0.155 nan 8.230 nan 0.000 0.468 25 E N 0.247 120.428 120.200 -0.031 0.000 2.381 25 E HA 0.324 4.674 4.350 0.001 0.000 0.286 25 E C -1.042 175.538 176.600 -0.034 0.000 0.960 25 E CA -0.728 55.653 56.400 -0.032 0.000 0.793 25 E CB 1.727 31.406 29.700 -0.035 0.000 1.225 25 E HN -0.054 nan 8.360 nan 0.000 0.420 26 R N 2.297 122.778 120.500 -0.032 0.000 2.691 26 R HA 0.415 4.755 4.340 0.001 0.000 0.259 26 R C -0.028 176.251 176.300 -0.034 0.000 1.048 26 R CA -0.920 55.161 56.100 -0.032 0.000 1.086 26 R CB 0.261 30.544 30.300 -0.029 0.000 1.166 26 R HN 0.685 nan 8.270 nan 0.000 0.526 27 N N -0.476 118.204 118.700 -0.034 0.000 2.708 27 N HA -0.156 4.584 4.740 0.001 0.000 0.251 27 N C -0.683 174.803 175.510 -0.041 0.000 1.017 27 N CA 0.522 53.551 53.050 -0.035 0.000 0.742 27 N CB -1.181 37.288 38.487 -0.031 0.000 0.943 27 N HN 0.267 nan 8.380 nan 0.000 0.539 28 V N 0.885 120.772 119.914 -0.045 0.000 2.508 28 V HA 0.061 4.182 4.120 0.001 0.000 0.281 28 V C 1.061 177.117 176.094 -0.064 0.000 1.041 28 V CA -0.017 62.250 62.300 -0.055 0.000 1.016 28 V CB 1.308 33.096 31.823 -0.057 0.000 0.984 28 V HN 0.220 nan 8.190 nan 0.000 0.478 29 T N 5.822 120.332 114.554 -0.073 0.000 2.851 29 T HA 0.457 4.807 4.350 0.001 0.000 0.298 29 T C -0.104 174.527 174.700 -0.116 0.000 0.977 29 T CA -0.175 61.874 62.100 -0.085 0.000 1.126 29 T CB 0.979 69.797 68.868 -0.084 0.000 0.916 29 T HN 0.726 nan 8.240 nan 0.000 0.529 30 V N 0.720 120.558 119.914 -0.125 0.000 2.962 30 V HA 0.603 4.724 4.120 0.001 0.000 0.313 30 V C 1.274 177.230 176.094 -0.230 0.000 1.099 30 V CA -0.598 61.601 62.300 -0.168 0.000 0.971 30 V CB 1.270 33.017 31.823 -0.128 0.000 1.028 30 V HN 0.855 nan 8.190 nan 0.000 0.430 31 T N -0.274 114.086 114.554 -0.322 0.000 2.720 31 T HA -0.036 4.314 4.350 0.001 0.000 0.268 31 T C 0.504 174.642 174.700 -0.937 0.000 1.037 31 T CA 1.910 63.656 62.100 -0.590 0.000 1.144 31 T CB -0.639 67.948 68.868 -0.469 0.000 0.864 31 T HN 1.005 nan 8.240 nan 0.000 0.444 32 H N -0.414 118.665 119.070 0.016 0.000 3.086 32 H HA 0.751 5.307 4.556 0.001 0.000 0.353 32 H C -0.317 175.038 175.328 0.045 0.000 1.134 32 H CA -0.458 55.629 56.048 0.065 0.000 1.248 32 H CB 1.585 31.439 29.762 0.154 0.000 1.878 32 H HN 0.460 nan 8.280 nan 0.000 0.527 33 A N 1.788 124.696 122.820 0.146 0.000 2.539 33 A HA 0.825 5.146 4.320 0.001 0.000 0.272 33 A C -1.311 176.331 177.584 0.096 0.000 1.286 33 A CA -0.759 51.333 52.037 0.092 0.000 0.792 33 A CB 2.157 21.182 19.000 0.042 0.000 1.355 33 A HN 0.614 nan 8.150 nan 0.000 0.472 34 Q N 0.074 119.916 119.800 0.071 0.000 2.313 34 Q HA 0.354 4.695 4.340 0.001 0.000 0.260 34 Q C -2.274 173.759 176.000 0.056 0.000 0.972 34 Q CA -0.536 55.309 55.803 0.069 0.000 0.886 34 Q CB 1.840 30.625 28.738 0.077 0.000 1.373 34 Q HN 0.675 nan 8.270 nan 0.000 0.416 35 D N 3.988 124.420 120.400 0.053 0.000 2.325 35 D HA 0.185 4.826 4.640 0.001 0.000 0.251 35 D C 0.817 177.158 176.300 0.069 0.000 1.196 35 D CA -0.213 53.817 54.000 0.051 0.000 0.866 35 D CB 0.860 41.686 40.800 0.043 0.000 1.101 35 D HN 0.642 nan 8.370 nan 0.000 0.476 36 I N 1.149 121.771 120.570 0.087 0.000 3.956 36 I HA 0.261 4.431 4.170 0.001 0.000 0.333 36 I C 0.003 176.229 176.117 0.181 0.000 1.302 36 I CA -0.311 61.071 61.300 0.137 0.000 1.122 36 I CB 0.207 38.321 38.000 0.191 0.000 1.013 36 I HN 0.122 nan 8.210 nan 0.000 0.405 37 L N 2.436 123.736 121.223 0.128 0.000 2.277 37 L HA 0.478 4.819 4.340 0.001 0.000 0.284 37 L C 0.014 176.953 176.870 0.114 0.000 1.028 37 L CA -0.348 54.573 54.840 0.136 0.000 0.835 37 L CB 0.913 43.006 42.059 0.056 0.000 1.215 37 L HN 0.096 nan 8.230 nan 0.000 0.425 38 E N 3.721 124.008 120.200 0.145 0.000 2.376 38 E HA 0.090 4.441 4.350 0.001 0.000 0.266 38 E C -0.041 176.644 176.600 0.142 0.000 1.009 38 E CA 0.763 57.240 56.400 0.128 0.000 0.902 38 E CB 0.842 30.624 29.700 0.137 0.000 0.972 38 E HN 0.608 nan 8.360 nan 0.000 0.439 39 K N 1.878 122.337 120.400 0.099 0.000 2.477 39 K HA 0.139 4.459 4.320 0.001 0.000 0.208 39 K C -0.473 176.172 176.600 0.075 0.000 1.117 39 K CA 0.030 56.374 56.287 0.095 0.000 1.039 39 K CB 1.104 33.638 32.500 0.056 0.000 0.937 39 K HN 0.460 nan 8.250 nan 0.000 0.570 40 T N 0.624 115.207 114.554 0.050 0.000 2.876 40 T HA 0.339 4.689 4.350 0.001 0.000 0.289 40 T C -1.548 173.151 174.700 -0.001 0.000 1.014 40 T CA -0.758 61.322 62.100 -0.034 0.000 0.986 40 T CB 0.794 69.626 68.868 -0.060 0.000 1.021 40 T HN 0.312 nan 8.240 nan 0.000 0.458 41 H N 2.296 121.372 119.070 0.010 0.000 2.679 41 H HA 0.575 5.131 4.556 0.001 0.000 0.367 41 H C 1.179 176.500 175.328 -0.012 0.000 1.162 41 H CA -1.004 55.038 56.048 -0.011 0.000 1.181 41 H CB 0.709 30.459 29.762 -0.020 0.000 1.693 41 H HN 0.382 nan 8.280 nan 0.000 0.538 42 N N 1.389 120.174 118.700 0.141 0.000 2.069 42 N HA -0.242 4.498 4.740 0.001 0.000 0.196 42 N C 1.486 177.066 175.510 0.117 0.000 1.024 42 N CA 2.978 56.080 53.050 0.086 0.000 0.869 42 N CB -0.507 38.013 38.487 0.055 0.000 1.035 42 N HN 1.094 nan 8.380 nan 0.000 0.434 43 G N -0.431 108.518 108.800 0.249 0.000 2.213 43 G HA2 -0.247 3.713 3.960 0.001 0.000 0.226 43 G HA3 -0.247 3.713 3.960 0.001 0.000 0.226 43 G C -0.123 174.825 174.900 0.080 0.000 0.992 43 G CA 0.683 45.907 45.100 0.207 0.000 0.632 43 G HN 0.686 nan 8.290 nan 0.000 0.511 44 K N 0.002 120.430 120.400 0.047 0.000 2.395 44 K HA 0.832 5.153 4.320 0.001 0.000 0.247 44 K C -0.809 175.792 176.600 0.002 0.000 0.973 44 K CA -1.246 55.051 56.287 0.016 0.000 0.828 44 K CB 2.139 34.649 32.500 0.016 0.000 1.272 44 K HN 0.075 nan 8.250 nan 0.000 0.439 45 L N 1.286 122.511 121.223 0.003 0.000 2.312 45 L HA 0.432 4.773 4.340 0.001 0.000 0.281 45 L C -0.473 176.432 176.870 0.058 0.000 1.070 45 L CA -0.074 54.784 54.840 0.031 0.000 0.805 45 L CB 1.118 43.203 42.059 0.043 0.000 1.174 45 L HN 0.777 nan 8.230 nan 0.000 0.434 46 c N 0.149 118.811 118.600 0.104 0.000 3.340 46 c HA 0.476 5.046 4.570 0.001 0.000 0.333 46 c C -0.181 173.997 174.090 0.146 0.000 1.464 46 c CA -1.620 54.759 56.329 0.084 0.000 1.337 46 c CB 1.994 44.532 42.510 0.046 0.000 1.740 46 c HN 0.729 nan 8.230 nan 0.000 0.450 47 K N 0.340 120.796 120.400 0.094 0.000 2.276 47 K HA 0.413 4.733 4.320 0.001 0.000 0.259 47 K C -0.920 175.765 176.600 0.142 0.000 1.001 47 K CA -0.108 56.246 56.287 0.112 0.000 0.927 47 K CB 0.281 32.814 32.500 0.056 0.000 0.969 47 K HN 0.462 nan 8.250 nan 0.000 0.490 48 L N 3.162 124.489 121.223 0.173 0.000 2.366 48 L HA 0.254 4.595 4.340 0.001 0.000 0.266 48 L C -1.192 175.731 176.870 0.089 0.000 1.010 48 L CA -0.048 54.872 54.840 0.133 0.000 0.879 48 L CB 0.183 42.356 42.059 0.190 0.000 1.228 48 L HN 0.646 nan 8.230 nan 0.000 0.439 49 N N 3.396 122.127 118.700 0.052 0.000 2.815 49 N HA -0.166 4.574 4.740 0.001 0.000 0.248 49 N C 0.916 176.441 175.510 0.025 0.000 1.110 49 N CA 1.325 54.392 53.050 0.028 0.000 0.699 49 N CB -1.518 36.978 38.487 0.015 0.000 1.040 49 N HN 1.077 nan 8.380 nan 0.000 0.555 50 G N -1.033 107.786 108.800 0.031 0.000 2.609 50 G HA2 -0.367 3.594 3.960 0.001 0.000 0.235 50 G HA3 -0.367 3.594 3.960 0.001 0.000 0.235 50 G C 0.195 175.112 174.900 0.029 0.000 1.177 50 G CA 0.363 45.477 45.100 0.024 0.000 0.707 50 G HN 0.431 nan 8.290 nan 0.000 0.513 51 I N 3.673 124.263 120.570 0.035 0.000 2.662 51 I HA 0.214 4.384 4.170 0.001 0.000 0.285 51 I C -1.606 174.540 176.117 0.049 0.000 1.161 51 I CA -1.749 59.574 61.300 0.039 0.000 1.415 51 I CB -0.039 37.984 38.000 0.039 0.000 1.385 51 I HN 0.051 nan 8.210 nan 0.000 0.552 52 P HA 0.338 nan 4.420 nan 0.000 0.275 52 P C -2.552 174.674 177.300 -0.123 0.000 1.266 52 P CA -1.154 61.924 63.100 -0.037 0.000 0.793 52 P CB -0.013 31.662 31.700 -0.043 0.000 1.074 53 P HA 0.301 nan 4.420 nan 0.000 0.301 53 P C -1.163 175.862 177.300 -0.458 0.000 1.309 53 P CA -0.447 62.238 63.100 -0.693 0.000 0.782 53 P CB 0.377 31.230 31.700 -1.412 0.000 1.282 54 L N 0.221 121.061 121.223 -0.638 0.000 2.264 54 L HA 0.325 4.665 4.340 0.001 0.000 0.287 54 L C -0.081 176.404 176.870 -0.642 0.000 1.039 54 L CA -0.111 54.282 54.840 -0.745 0.000 0.829 54 L CB -0.479 40.752 42.059 -1.380 0.000 1.211 54 L HN 0.214 nan 8.230 nan 0.000 0.427 55 E N 4.982 124.897 120.200 -0.475 0.000 2.257 55 E HA 0.111 4.461 4.350 0.001 0.000 0.278 55 E C 0.306 176.660 176.600 -0.409 0.000 1.049 55 E CA 0.003 56.180 56.400 -0.373 0.000 0.876 55 E CB 1.119 30.664 29.700 -0.258 0.000 1.035 55 E HN 0.748 nan 8.360 nan 0.000 0.419 56 L N 2.725 123.726 121.223 -0.370 0.000 2.664 56 L HA 0.152 4.492 4.340 0.001 0.000 0.233 56 L C 1.341 178.083 176.870 -0.215 0.000 1.113 56 L CA 0.230 54.863 54.840 -0.345 0.000 0.896 56 L CB -0.201 41.647 42.059 -0.352 0.000 1.163 56 L HN 0.837 nan 8.230 nan 0.000 0.497 57 G N 2.398 111.091 108.800 -0.179 0.000 2.634 57 G HA2 -0.413 3.547 3.960 0.001 0.000 0.309 57 G HA3 -0.413 3.547 3.960 0.001 0.000 0.309 57 G C 0.194 175.034 174.900 -0.101 0.000 1.265 57 G CA 0.667 45.693 45.100 -0.122 0.000 0.998 57 G HN 0.545 nan 8.290 nan 0.000 0.551 58 D N 0.207 120.562 120.400 -0.075 0.000 2.434 58 D HA 0.355 4.995 4.640 0.001 0.000 0.232 58 D C 0.683 176.953 176.300 -0.050 0.000 1.166 58 D CA -0.028 53.938 54.000 -0.057 0.000 0.830 58 D CB -0.552 40.224 40.800 -0.040 0.000 0.960 58 D HN 0.516 nan 8.370 nan 0.000 0.497 59 c N 0.357 118.917 118.600 -0.067 0.000 2.349 59 c HA 0.779 5.349 4.570 0.001 0.000 0.361 59 c C 0.609 174.668 174.090 -0.051 0.000 1.189 59 c CA -0.556 55.745 56.329 -0.046 0.000 2.155 59 c CB 1.288 43.771 42.510 -0.045 0.000 2.336 59 c HN 0.508 nan 8.230 nan 0.000 0.540 60 S N 0.942 116.635 115.700 -0.012 0.000 2.648 60 S HA 0.529 5.000 4.470 0.001 0.000 0.305 60 S C 0.841 175.465 174.600 0.040 0.000 1.094 60 S CA -0.633 57.568 58.200 0.001 0.000 0.983 60 S CB 0.624 63.840 63.200 0.027 0.000 1.101 60 S HN 0.612 nan 8.310 nan 0.000 0.514 61 I N 1.106 121.707 120.570 0.051 0.000 2.264 61 I HA -0.200 3.970 4.170 0.001 0.000 0.248 61 I C 2.807 178.950 176.117 0.043 0.000 1.111 61 I CA 1.788 63.144 61.300 0.094 0.000 1.382 61 I CB -1.150 36.831 38.000 -0.031 0.000 1.060 61 I HN 0.883 nan 8.210 nan 0.000 0.418 62 A N 1.043 123.852 122.820 -0.018 0.000 1.877 62 A HA -0.113 4.207 4.320 0.001 0.000 0.216 62 A C 2.479 179.974 177.584 -0.148 0.000 1.186 62 A CA 1.830 53.743 52.037 -0.207 0.000 0.620 62 A CB -1.377 17.382 19.000 -0.402 0.000 0.822 62 A HN 0.434 nan 8.150 nan 0.000 0.443 63 G N -1.300 107.470 108.800 -0.051 0.000 2.469 63 G HA2 -0.312 3.648 3.960 0.001 0.000 0.219 63 G HA3 -0.312 3.648 3.960 0.001 0.000 0.219 63 G C 1.378 176.317 174.900 0.066 0.000 1.150 63 G CA 1.303 46.412 45.100 0.015 0.000 0.763 63 G HN 0.718 nan 8.290 nan 0.000 0.561 64 W N 1.287 122.518 121.300 -0.116 0.000 2.353 64 W HA 0.046 4.707 4.660 0.001 0.000 0.319 64 W C 2.273 178.744 176.519 -0.081 0.000 1.207 64 W CA 1.278 58.556 57.345 -0.111 0.000 1.291 64 W CB -0.722 28.631 29.460 -0.177 0.000 1.159 64 W HN 0.123 nan 8.180 nan 0.000 0.478 65 L N 0.324 121.255 121.223 -0.486 0.000 2.141 65 L HA -0.191 4.149 4.340 0.001 0.000 0.209 65 L C 2.545 179.254 176.870 -0.268 0.000 1.094 65 L CA 0.973 55.398 54.840 -0.691 0.000 0.763 65 L CB -0.821 40.799 42.059 -0.731 0.000 0.908 65 L HN 0.083 nan 8.230 nan 0.000 0.437 66 L N -0.539 120.508 121.223 -0.294 0.000 2.179 66 L HA 0.022 4.362 4.340 0.001 0.000 0.208 66 L C 1.416 178.218 176.870 -0.113 0.000 1.096 66 L CA 0.947 55.550 54.840 -0.394 0.000 0.779 66 L CB -0.481 40.961 42.059 -1.028 0.000 0.922 66 L HN 0.520 nan 8.230 nan 0.000 0.443 67 G N 0.543 109.338 108.800 -0.007 0.000 2.141 67 G HA2 -0.248 3.712 3.960 0.001 0.000 0.195 67 G HA3 -0.248 3.712 3.960 0.001 0.000 0.195 67 G C 0.078 175.075 174.900 0.161 0.000 1.012 67 G CA 0.001 45.151 45.100 0.083 0.000 0.696 67 G HN 0.357 nan 8.290 nan 0.000 0.508 68 N N 0.730 119.586 118.700 0.259 0.000 2.132 68 N HA 0.034 4.774 4.740 0.001 0.000 0.280 68 N C -0.458 175.077 175.510 0.042 0.000 1.318 68 N CA -0.329 52.821 53.050 0.166 0.000 0.822 68 N CB 0.856 39.443 38.487 0.168 0.000 1.058 68 N HN 0.149 nan 8.380 nan 0.000 0.489 69 P HA -0.095 nan 4.420 nan 0.000 0.223 69 P C 0.524 177.792 177.300 -0.055 0.000 1.144 69 P CA 1.063 64.137 63.100 -0.044 0.000 0.783 69 P CB 0.305 31.958 31.700 -0.079 0.000 0.771 70 E N -2.024 118.152 120.200 -0.040 0.000 2.435 70 E HA -0.021 4.329 4.350 0.001 0.000 0.195 70 E C 0.894 177.484 176.600 -0.017 0.000 1.029 70 E CA 0.462 56.836 56.400 -0.042 0.000 0.865 70 E CB -0.661 29.019 29.700 -0.034 0.000 0.833 70 E HN 0.170 nan 8.360 nan 0.000 0.510 71 c N 0.794 119.402 118.600 0.013 0.000 2.906 71 c HA 0.153 4.724 4.570 0.001 0.000 0.274 71 c C 1.426 175.545 174.090 0.049 0.000 1.257 71 c CA -0.730 55.621 56.329 0.038 0.000 1.695 71 c CB -0.456 42.108 42.510 0.090 0.000 1.958 71 c HN 0.367 nan 8.230 nan 0.000 0.619 72 D N 2.320 122.736 120.400 0.026 0.000 2.126 72 D HA -0.132 4.509 4.640 0.001 0.000 0.190 72 D C 1.561 177.879 176.300 0.030 0.000 1.001 72 D CA 1.153 55.170 54.000 0.029 0.000 0.841 72 D CB -0.272 40.531 40.800 0.005 0.000 0.949 72 D HN 0.526 nan 8.370 nan 0.000 0.446 73 R N 1.204 121.710 120.500 0.010 0.000 4.559 73 R HA 0.166 4.506 4.340 0.001 0.000 0.177 73 R C -0.111 176.182 176.300 -0.012 0.000 1.875 73 R CA 0.120 56.221 56.100 0.003 0.000 1.509 73 R CB -0.889 29.408 30.300 -0.006 0.000 1.395 73 R HN 0.240 nan 8.270 nan 0.000 0.830 74 L N 1.059 122.284 121.223 0.004 0.000 2.362 74 L HA 0.592 4.932 4.340 0.001 0.000 0.271 74 L C -0.219 176.644 176.870 -0.011 0.000 1.002 74 L CA -0.885 53.935 54.840 -0.032 0.000 0.818 74 L CB 2.089 44.125 42.059 -0.038 0.000 1.298 74 L HN 0.255 nan 8.230 nan 0.000 0.420 75 L N 1.235 122.426 121.223 -0.053 0.000 2.280 75 L HA 0.680 5.021 4.340 0.001 0.000 0.287 75 L C 0.472 177.321 176.870 -0.034 0.000 1.023 75 L CA -0.544 54.285 54.840 -0.019 0.000 0.819 75 L CB 0.917 42.960 42.059 -0.027 0.000 1.212 75 L HN 0.684 nan 8.230 nan 0.000 0.420 76 T N 0.998 115.591 114.554 0.066 0.000 3.254 76 T HA 0.457 4.807 4.350 0.001 0.000 0.385 76 T C 0.086 174.924 174.700 0.230 0.000 1.528 76 T CA -0.316 61.868 62.100 0.139 0.000 1.212 76 T CB 0.271 69.344 68.868 0.342 0.000 1.145 76 T HN 1.525 nan 8.240 nan 0.000 0.631 77 V N 4.961 124.979 119.914 0.174 0.000 2.555 77 V HA 0.099 4.220 4.120 0.001 0.000 0.299 77 V C -1.237 175.048 176.094 0.318 0.000 1.012 77 V CA -1.095 61.323 62.300 0.197 0.000 1.180 77 V CB 0.628 32.535 31.823 0.139 0.000 0.887 77 V HN 0.495 nan 8.190 nan 0.000 0.476 78 P HA -0.131 nan 4.420 nan 0.000 0.221 78 P C 0.143 177.507 177.300 0.107 0.000 1.141 78 P CA 1.245 64.516 63.100 0.284 0.000 0.794 78 P CB 0.200 32.090 31.700 0.317 0.000 0.764 79 E N -0.425 119.814 120.200 0.064 0.000 2.246 79 E HA 0.355 4.705 4.350 0.001 0.000 0.266 79 E C -1.377 175.218 176.600 -0.009 0.000 0.880 79 E CA -1.051 55.271 56.400 -0.129 0.000 0.762 79 E CB 1.080 30.750 29.700 -0.050 0.000 1.180 79 E HN -0.043 nan 8.360 nan 0.000 0.416 80 W N 2.680 123.955 121.300 -0.042 0.000 2.975 80 W HA 0.516 5.176 4.660 0.001 0.000 0.342 80 W C 0.398 176.875 176.519 -0.070 0.000 1.168 80 W CA -0.430 56.853 57.345 -0.104 0.000 1.141 80 W CB 0.437 29.777 29.460 -0.199 0.000 1.445 80 W HN 0.322 nan 8.180 nan 0.000 0.560 81 S N -0.064 115.762 115.700 0.210 0.000 2.506 81 S HA 0.259 4.730 4.470 0.001 0.000 0.230 81 S C 0.032 174.838 174.600 0.344 0.000 1.066 81 S CA 0.746 59.071 58.200 0.208 0.000 0.940 81 S CB -0.618 62.717 63.200 0.225 0.000 0.818 81 S HN 0.784 nan 8.310 nan 0.000 0.518 82 Y N -0.594 119.795 120.300 0.148 0.000 2.638 82 Y HA 0.828 5.378 4.550 0.001 0.000 0.339 82 Y C -1.250 174.598 175.900 -0.086 0.000 1.084 82 Y CA -1.871 56.264 58.100 0.059 0.000 1.068 82 Y CB 0.998 39.450 38.460 -0.012 0.000 1.294 82 Y HN -0.000 nan 8.280 nan 0.000 0.480 83 I N 2.946 123.445 120.570 -0.119 0.000 2.433 83 I HA 0.375 4.546 4.170 0.001 0.000 0.292 83 I C -0.824 175.154 176.117 -0.232 0.000 1.001 83 I CA -0.999 60.063 61.300 -0.398 0.000 1.119 83 I CB 1.963 39.681 38.000 -0.469 0.000 1.289 83 I HN 0.572 nan 8.210 nan 0.000 0.438 84 M N 6.054 125.466 119.600 -0.314 0.000 2.061 84 M HA 0.362 4.842 4.480 0.001 0.000 0.346 84 M C -0.423 175.748 176.300 -0.215 0.000 1.112 84 M CA -0.081 55.108 55.300 -0.185 0.000 1.021 84 M CB 0.989 33.486 32.600 -0.172 0.000 1.530 84 M HN 0.485 nan 8.290 nan 0.000 0.437 85 E N 2.680 122.781 120.200 -0.165 0.000 2.222 85 E HA 0.360 4.710 4.350 0.001 0.000 0.267 85 E C -0.987 175.548 176.600 -0.108 0.000 0.884 85 E CA -0.750 55.557 56.400 -0.155 0.000 0.764 85 E CB 1.859 31.465 29.700 -0.157 0.000 1.169 85 E HN 0.418 nan 8.360 nan 0.000 0.413 86 K N 1.660 122.003 120.400 -0.094 0.000 2.344 86 K HA -0.084 4.236 4.320 0.001 0.000 0.260 86 K C 0.876 177.443 176.600 -0.054 0.000 0.988 86 K CA 0.284 56.531 56.287 -0.067 0.000 0.909 86 K CB 0.469 32.935 32.500 -0.056 0.000 0.968 86 K HN 0.443 nan 8.250 nan 0.000 0.505 87 E N 0.936 121.112 120.200 -0.040 0.000 2.031 87 E HA -0.130 4.221 4.350 0.001 0.000 0.193 87 E C -0.490 176.099 176.600 -0.018 0.000 0.994 87 E CA 1.637 58.020 56.400 -0.028 0.000 0.800 87 E CB 0.096 29.785 29.700 -0.017 0.000 0.752 87 E HN 0.502 nan 8.360 nan 0.000 0.447 88 N N 0.851 119.543 118.700 -0.014 0.000 2.746 88 N HA 0.290 5.030 4.740 0.001 0.000 0.250 88 N C -2.713 172.792 175.510 -0.010 0.000 1.146 88 N CA -1.208 51.839 53.050 -0.005 0.000 0.828 88 N CB 1.611 40.099 38.487 0.002 0.000 1.158 88 N HN 0.012 nan 8.380 nan 0.000 0.519 89 P HA 0.101 nan 4.420 nan 0.000 0.267 89 P C 0.592 177.887 177.300 -0.007 0.000 1.200 89 P CA -0.109 62.980 63.100 -0.018 0.000 0.772 89 P CB 1.275 32.964 31.700 -0.019 0.000 0.855 90 R N 1.137 121.631 120.500 -0.010 0.000 2.075 90 R HA 0.004 4.344 4.340 0.001 0.000 0.226 90 R C 0.193 176.495 176.300 0.002 0.000 1.114 90 R CA 0.966 57.063 56.100 -0.004 0.000 0.972 90 R CB -0.319 29.976 30.300 -0.008 0.000 0.869 90 R HN 0.551 nan 8.270 nan 0.000 0.437 91 N N 0.876 119.576 118.700 0.000 0.000 2.918 91 N HA 0.138 4.878 4.740 0.001 0.000 0.247 91 N C -0.204 175.321 175.510 0.025 0.000 1.117 91 N CA -0.593 52.464 53.050 0.012 0.000 1.005 91 N CB 1.523 40.013 38.487 0.004 0.000 1.297 91 N HN 0.193 nan 8.380 nan 0.000 0.513 92 G N 0.690 109.510 108.800 0.034 0.000 3.434 92 G HA2 0.288 4.249 3.960 0.001 0.000 0.192 92 G HA3 0.288 4.249 3.960 0.001 0.000 0.192 92 G C -0.038 174.908 174.900 0.076 0.000 1.704 92 G CA -0.574 44.544 45.100 0.029 0.000 0.936 92 G HN 0.281 nan 8.290 nan 0.000 0.623 93 L N 2.262 123.531 121.223 0.077 0.000 2.485 93 L HA 0.100 4.441 4.340 0.001 0.000 0.279 93 L C 1.929 178.952 176.870 0.255 0.000 1.124 93 L CA -0.804 54.163 54.840 0.212 0.000 0.888 93 L CB 0.515 42.680 42.059 0.176 0.000 1.217 93 L HN 0.684 nan 8.230 nan 0.000 0.464 94 c N 1.797 120.565 118.600 0.278 0.000 2.453 94 c HA -0.139 4.432 4.570 0.001 0.000 0.277 94 c C 1.241 175.386 174.090 0.092 0.000 1.262 94 c CA -0.220 56.157 56.329 0.079 0.000 1.718 94 c CB -0.871 41.597 42.510 -0.070 0.000 2.031 94 c HN 0.636 nan 8.230 nan 0.000 0.480 95 Y N 4.083 124.409 120.300 0.044 0.000 2.359 95 Y HA 0.438 4.989 4.550 0.001 0.000 0.334 95 Y C -2.189 173.853 175.900 0.236 0.000 1.058 95 Y CA -2.338 55.848 58.100 0.144 0.000 1.244 95 Y CB 0.338 38.900 38.460 0.169 0.000 1.187 95 Y HN 0.171 nan 8.280 nan 0.000 0.510 96 P HA 0.296 nan 4.420 nan 0.000 0.269 96 P C -0.072 177.391 177.300 0.272 0.000 1.217 96 P CA 0.612 63.773 63.100 0.102 0.000 0.783 96 P CB 0.881 32.551 31.700 -0.050 0.000 0.898 97 G N -0.323 108.595 108.800 0.197 0.000 2.441 97 G HA2 0.431 4.392 3.960 0.001 0.000 0.222 97 G HA3 0.431 4.392 3.960 0.001 0.000 0.222 97 G C -1.344 173.641 174.900 0.141 0.000 1.254 97 G CA 0.100 45.312 45.100 0.186 0.000 0.959 97 G HN 0.756 nan 8.290 nan 0.000 0.474 98 S N -1.338 114.444 115.700 0.137 0.000 2.618 98 S HA 0.815 5.285 4.470 0.001 0.000 0.277 98 S C -1.824 172.866 174.600 0.149 0.000 1.138 98 S CA -0.689 57.583 58.200 0.120 0.000 0.844 98 S CB 2.533 65.785 63.200 0.086 0.000 1.127 98 S HN 1.493 nan 8.310 nan 0.000 0.474 99 F N 1.852 121.792 119.950 -0.017 0.000 2.518 99 F HA 0.550 5.078 4.527 0.001 0.000 0.323 99 F C -0.644 175.201 175.800 0.075 0.000 1.129 99 F CA -0.985 56.999 58.000 -0.027 0.000 0.920 99 F CB 1.702 40.500 39.000 -0.336 0.000 1.160 99 F HN 0.633 nan 8.300 nan 0.000 0.440 100 N N 4.725 123.661 118.700 0.394 0.000 2.472 100 N HA 0.151 4.892 4.740 0.001 0.000 0.277 100 N C -0.626 175.200 175.510 0.528 0.000 1.081 100 N CA 0.216 53.457 53.050 0.318 0.000 0.973 100 N CB 0.719 39.255 38.487 0.083 0.000 1.105 100 N HN 0.586 nan 8.380 nan 0.000 0.470 101 D N 1.112 121.749 120.400 0.394 0.000 2.689 101 D HA -0.254 4.386 4.640 0.001 0.000 0.237 101 D C 0.685 177.334 176.300 0.581 0.000 1.148 101 D CA 0.484 54.749 54.000 0.441 0.000 0.656 101 D CB -0.900 40.132 40.800 0.386 0.000 1.050 101 D HN 0.585 nan 8.370 nan 0.000 0.426 102 Y N 0.763 121.203 120.300 0.233 0.000 2.163 102 Y HA -0.160 4.390 4.550 0.001 0.000 0.288 102 Y C 2.029 177.846 175.900 -0.138 0.000 1.136 102 Y CA 2.173 60.228 58.100 -0.074 0.000 1.147 102 Y CB 0.065 38.448 38.460 -0.128 0.000 0.987 102 Y HN 0.025 nan 8.280 nan 0.000 0.509 103 E N 0.238 120.365 120.200 -0.120 0.000 2.031 103 E HA -0.169 4.181 4.350 0.001 0.000 0.193 103 E C 2.117 178.635 176.600 -0.137 0.000 0.994 103 E CA 1.512 57.764 56.400 -0.247 0.000 0.800 103 E CB -0.325 29.269 29.700 -0.176 0.000 0.752 103 E HN 0.377 nan 8.360 nan 0.000 0.447 104 E N 0.104 120.325 120.200 0.036 0.000 2.219 104 E HA -0.205 4.146 4.350 0.001 0.000 0.198 104 E C 2.033 178.708 176.600 0.126 0.000 0.998 104 E CA 0.688 57.177 56.400 0.148 0.000 0.818 104 E CB -0.144 29.731 29.700 0.291 0.000 0.741 104 E HN 0.174 nan 8.360 nan 0.000 0.477 105 L N 1.088 122.265 121.223 -0.076 0.000 2.068 105 L HA -0.070 4.270 4.340 0.001 0.000 0.204 105 L C 2.097 178.712 176.870 -0.426 0.000 1.076 105 L CA 1.661 56.155 54.840 -0.576 0.000 0.753 105 L CB -0.213 41.170 42.059 -1.126 0.000 0.910 105 L HN -0.146 nan 8.230 nan 0.000 0.439 106 K N -1.129 119.007 120.400 -0.439 0.000 2.044 106 K HA -0.266 4.054 4.320 0.001 0.000 0.210 106 K C 2.321 178.787 176.600 -0.222 0.000 1.049 106 K CA 1.836 57.880 56.287 -0.405 0.000 0.927 106 K CB -0.453 31.738 32.500 -0.515 0.000 0.713 106 K HN 0.502 nan 8.250 nan 0.000 0.443 107 H N 0.600 119.532 119.070 -0.231 0.000 2.293 107 H HA -0.154 4.403 4.556 0.001 0.000 0.300 107 H C 2.192 177.468 175.328 -0.086 0.000 1.082 107 H CA 1.820 57.785 56.048 -0.139 0.000 1.308 107 H CB -0.116 29.581 29.762 -0.108 0.000 1.375 107 H HN 0.106 nan 8.280 nan 0.000 0.495 108 L N 2.354 123.563 121.223 -0.023 0.000 1.990 108 L HA -0.186 4.154 4.340 0.001 0.000 0.213 108 L C 2.150 178.954 176.870 -0.109 0.000 1.072 108 L CA 2.034 56.849 54.840 -0.043 0.000 0.755 108 L CB -0.854 41.208 42.059 0.006 0.000 0.889 108 L HN 0.479 nan 8.230 nan 0.000 0.432 109 I N -3.163 117.323 120.570 -0.139 0.000 3.780 109 I HA 0.129 4.299 4.170 0.001 0.000 0.312 109 I C 1.636 177.746 176.117 -0.010 0.000 1.377 109 I CA 0.056 61.311 61.300 -0.075 0.000 1.224 109 I CB -0.542 37.392 38.000 -0.109 0.000 1.110 109 I HN 0.069 nan 8.210 nan 0.000 0.418 110 S N 1.594 117.243 115.700 -0.085 0.000 2.351 110 S HA -0.103 4.368 4.470 0.001 0.000 0.220 110 S C 1.074 175.739 174.600 0.109 0.000 1.035 110 S CA 1.740 59.912 58.200 -0.047 0.000 1.031 110 S CB -0.080 63.015 63.200 -0.175 0.000 0.928 110 S HN 0.848 nan 8.310 nan 0.000 0.433 111 S N 0.189 115.898 115.700 0.016 0.000 2.548 111 S HA 0.745 5.215 4.470 0.001 0.000 0.286 111 S C -0.644 173.816 174.600 -0.234 0.000 1.098 111 S CA -0.802 57.363 58.200 -0.058 0.000 0.930 111 S CB 2.059 65.233 63.200 -0.043 0.000 1.070 111 S HN 0.431 nan 8.310 nan 0.000 0.480 112 V N -1.937 117.636 119.914 -0.569 0.000 3.130 112 V HA 0.986 5.106 4.120 0.001 0.000 0.310 112 V C -0.443 175.395 176.094 -0.427 0.000 1.158 112 V CA -0.223 61.757 62.300 -0.533 0.000 1.029 112 V CB 1.498 32.819 31.823 -0.836 0.000 1.057 112 V HN 1.368 nan 8.190 nan 0.000 0.436 113 T N 1.760 116.192 114.554 -0.203 0.000 3.834 113 T HA 0.285 4.635 4.350 0.001 0.000 0.201 113 T C -0.706 174.037 174.700 0.070 0.000 0.626 113 T CA -0.014 62.040 62.100 -0.076 0.000 1.298 113 T CB -0.838 67.978 68.868 -0.086 0.000 1.064 113 T HN 1.682 nan 8.240 nan 0.000 0.564 114 H N 1.110 120.141 119.070 -0.064 0.000 3.247 114 H HA 0.845 5.401 4.556 0.001 0.000 0.262 114 H C -1.600 173.741 175.328 0.021 0.000 1.646 114 H CA -1.818 54.188 56.048 -0.069 0.000 1.600 114 H CB 0.763 30.511 29.762 -0.024 0.000 1.635 114 H HN 0.334 nan 8.280 nan 0.000 0.915 115 F N 0.534 120.150 119.950 -0.557 0.000 2.941 115 F HA 0.292 4.820 4.527 0.001 0.000 0.359 115 F C -1.117 174.544 175.800 -0.233 0.000 1.231 115 F CA -0.383 57.380 58.000 -0.395 0.000 1.089 115 F CB 1.177 40.050 39.000 -0.211 0.000 1.407 115 F HN 0.763 nan 8.300 nan 0.000 0.538 116 E N 5.855 125.693 120.200 -0.604 0.000 2.256 116 E HA 0.283 4.634 4.350 0.001 0.000 0.268 116 E C -1.487 174.943 176.600 -0.283 0.000 0.877 116 E CA -0.948 55.293 56.400 -0.266 0.000 0.757 116 E CB 1.747 31.382 29.700 -0.107 0.000 1.183 116 E HN 0.612 nan 8.360 nan 0.000 0.418 117 K N 3.264 123.555 120.400 -0.182 0.000 2.276 117 K HA 0.288 4.609 4.320 0.001 0.000 0.283 117 K C -0.651 175.854 176.600 -0.159 0.000 1.044 117 K CA -0.503 55.589 56.287 -0.324 0.000 0.944 117 K CB 1.011 33.296 32.500 -0.358 0.000 1.012 117 K HN 0.355 nan 8.250 nan 0.000 0.472 118 V N 1.082 120.898 119.914 -0.163 0.000 2.789 118 V HA 0.442 4.562 4.120 0.001 0.000 0.311 118 V C -0.852 175.215 176.094 -0.046 0.000 1.073 118 V CA -1.080 61.194 62.300 -0.043 0.000 0.921 118 V CB 1.666 33.453 31.823 -0.060 0.000 1.009 118 V HN 0.795 nan 8.190 nan 0.000 0.426 119 K N 3.468 123.828 120.400 -0.068 0.000 2.378 119 K HA 0.393 4.713 4.320 0.001 0.000 0.288 119 K C 0.721 177.182 176.600 -0.232 0.000 1.057 119 K CA 0.258 56.325 56.287 -0.367 0.000 0.971 119 K CB 0.800 33.092 32.500 -0.346 0.000 0.975 119 K HN 0.904 nan 8.250 nan 0.000 0.475 120 I N 1.777 122.172 120.570 -0.292 0.000 4.032 120 I HA 0.139 4.310 4.170 0.001 0.000 0.313 120 I C -0.064 176.030 176.117 -0.038 0.000 1.272 120 I CA -0.114 61.057 61.300 -0.214 0.000 1.307 120 I CB 0.456 38.059 38.000 -0.660 0.000 1.155 120 I HN 0.321 nan 8.210 nan 0.000 0.431 121 L N 3.442 124.602 121.223 -0.105 0.000 2.502 121 L HA 0.552 4.892 4.340 0.001 0.000 0.249 121 L C -2.557 174.234 176.870 -0.131 0.000 1.446 121 L CA -1.626 53.167 54.840 -0.077 0.000 0.887 121 L CB 0.745 42.839 42.059 0.058 0.000 1.126 121 L HN -0.121 nan 8.230 nan 0.000 0.509 122 P HA -0.120 nan 4.420 nan 0.000 0.261 122 P C 0.740 177.985 177.300 -0.092 0.000 1.158 122 P CA 0.491 63.498 63.100 -0.154 0.000 0.758 122 P CB 0.772 32.392 31.700 -0.133 0.000 0.763 123 K N 3.005 123.408 120.400 0.004 0.000 2.113 123 K HA -0.222 4.098 4.320 0.001 0.000 0.208 123 K C 0.839 177.538 176.600 0.165 0.000 1.047 123 K CA 2.120 58.497 56.287 0.150 0.000 0.928 123 K CB -0.163 32.419 32.500 0.137 0.000 0.716 123 K HN 0.550 nan 8.250 nan 0.000 0.446 124 D N -1.081 119.351 120.400 0.055 0.000 2.328 124 D HA -0.066 4.574 4.640 0.001 0.000 0.226 124 D C 1.256 177.549 176.300 -0.011 0.000 1.066 124 D CA 0.156 54.184 54.000 0.047 0.000 0.861 124 D CB 0.037 40.852 40.800 0.026 0.000 0.912 124 D HN 0.068 nan 8.370 nan 0.000 0.521 125 R N -0.397 120.028 120.500 -0.126 0.000 2.334 125 R HA 0.165 4.506 4.340 0.001 0.000 0.220 125 R C -0.314 175.809 176.300 -0.295 0.000 0.917 125 R CA -0.276 55.679 56.100 -0.241 0.000 1.073 125 R CB -0.017 30.073 30.300 -0.351 0.000 1.056 125 R HN 0.176 nan 8.270 nan 0.000 0.506 126 W N 0.701 122.009 121.300 0.014 0.000 1.919 126 W HA 0.134 4.795 4.660 0.001 0.000 0.347 126 W C 1.349 177.894 176.519 0.043 0.000 0.698 126 W CA -0.471 56.899 57.345 0.042 0.000 2.240 126 W CB 0.629 30.102 29.460 0.022 0.000 2.021 126 W HN 0.065 nan 8.180 nan 0.000 0.527 127 T N -3.081 111.569 114.554 0.159 0.000 2.803 127 T HA -0.278 4.073 4.350 0.001 0.000 0.269 127 T C 1.372 176.089 174.700 0.030 0.000 1.052 127 T CA 1.240 63.384 62.100 0.074 0.000 1.136 127 T CB 0.035 68.915 68.868 0.020 0.000 0.864 127 T HN 0.352 nan 8.240 nan 0.000 0.467 128 Q N 0.364 120.174 119.800 0.017 0.000 2.444 128 Q HA 0.145 4.485 4.340 0.001 0.000 0.206 128 Q C -0.290 175.395 176.000 -0.526 0.000 0.948 128 Q CA 0.367 56.036 55.803 -0.222 0.000 0.946 128 Q CB 0.094 28.670 28.738 -0.270 0.000 1.027 128 Q HN 0.765 nan 8.270 nan 0.000 0.513 129 H N -1.822 117.210 119.070 -0.065 0.000 2.928 129 H HA 0.280 4.836 4.556 0.001 0.000 0.371 129 H C -0.775 174.488 175.328 -0.108 0.000 1.186 129 H CA -0.739 55.202 56.048 -0.177 0.000 1.134 129 H CB 1.539 31.102 29.762 -0.333 0.000 1.824 129 H HN -0.184 nan 8.280 nan 0.000 0.554 130 T N 1.599 116.142 114.554 -0.019 0.000 2.794 130 T HA 0.266 4.617 4.350 0.001 0.000 0.296 130 T C 0.391 175.051 174.700 -0.067 0.000 0.949 130 T CA -0.438 61.628 62.100 -0.056 0.000 1.101 130 T CB 0.164 68.964 68.868 -0.114 0.000 0.905 130 T HN 0.733 nan 8.240 nan 0.000 0.516 131 T N -1.004 113.533 114.554 -0.028 0.000 3.438 131 T HA 0.367 4.717 4.350 0.001 0.000 0.244 131 T C 0.967 175.660 174.700 -0.012 0.000 1.269 131 T CA -0.533 61.560 62.100 -0.010 0.000 1.371 131 T CB -0.260 68.662 68.868 0.090 0.000 1.002 131 T HN 0.655 nan 8.240 nan 0.000 0.637 132 T N -3.331 111.171 114.554 -0.087 0.000 3.131 132 T HA 0.378 4.728 4.350 0.001 0.000 0.283 132 T C 1.199 175.811 174.700 -0.146 0.000 0.906 132 T CA 0.205 62.262 62.100 -0.072 0.000 0.882 132 T CB -0.246 68.586 68.868 -0.060 0.000 1.208 132 T HN 0.587 nan 8.240 nan 0.000 0.561 133 G N 0.629 109.238 108.800 -0.318 0.000 2.272 133 G HA2 0.485 4.446 3.960 0.001 0.000 0.247 133 G HA3 0.485 4.446 3.960 0.001 0.000 0.247 133 G C 0.392 175.110 174.900 -0.303 0.000 1.272 133 G CA 0.134 44.906 45.100 -0.547 0.000 0.921 133 G HN 0.635 nan 8.290 nan 0.000 0.495 134 G N -0.175 108.545 108.800 -0.133 0.000 3.212 134 G HA2 0.739 4.699 3.960 0.001 0.000 0.188 134 G HA3 0.739 4.699 3.960 0.001 0.000 0.188 134 G C -0.624 174.434 174.900 0.264 0.000 1.254 134 G CA 0.110 45.305 45.100 0.158 0.000 0.957 134 G HN 1.224 nan 8.290 nan 0.000 0.596 135 S N -2.767 113.106 115.700 0.289 0.000 2.597 135 S HA 0.267 4.738 4.470 0.001 0.000 0.274 135 S C 0.214 174.924 174.600 0.184 0.000 1.132 135 S CA -0.351 58.025 58.200 0.292 0.000 0.835 135 S CB 1.483 65.016 63.200 0.554 0.000 1.092 135 S HN 0.379 nan 8.310 nan 0.000 0.457 136 Q N 1.499 121.379 119.800 0.133 0.000 2.170 136 Q HA 0.087 4.427 4.340 0.001 0.000 0.203 136 Q C 2.047 178.083 176.000 0.060 0.000 0.976 136 Q CA 2.203 58.053 55.803 0.077 0.000 0.858 136 Q CB -0.708 28.062 28.738 0.054 0.000 0.907 136 Q HN 0.856 nan 8.270 nan 0.000 0.433 137 G N -0.726 108.119 108.800 0.075 0.000 2.469 137 G HA2 -0.256 3.704 3.960 0.001 0.000 0.219 137 G HA3 -0.256 3.704 3.960 0.001 0.000 0.219 137 G C 0.723 175.632 174.900 0.016 0.000 1.150 137 G CA 1.149 46.263 45.100 0.024 0.000 0.763 137 G HN 0.448 nan 8.290 nan 0.000 0.561 138 c N 1.837 120.461 118.600 0.040 0.000 2.361 138 c HA 0.760 5.330 4.570 0.001 0.000 0.336 138 c C 1.262 175.347 174.090 -0.009 0.000 1.406 138 c CA -1.179 55.124 56.329 -0.045 0.000 1.763 138 c CB -1.524 40.898 42.510 -0.147 0.000 2.761 138 c HN 0.600 nan 8.230 nan 0.000 0.566 139 A N 0.682 123.503 122.820 0.001 0.000 2.477 139 A HA 0.472 4.792 4.320 0.001 0.000 0.246 139 A C 0.926 178.485 177.584 -0.042 0.000 1.078 139 A CA 0.293 52.333 52.037 0.005 0.000 0.770 139 A CB 0.475 19.484 19.000 0.015 0.000 1.011 139 A HN 0.367 nan 8.150 nan 0.000 0.494 140 V N 1.298 121.187 119.914 -0.041 0.000 2.693 140 V HA 0.136 4.256 4.120 0.001 0.000 0.223 140 V C 0.610 176.596 176.094 -0.181 0.000 1.131 140 V CA 0.867 63.075 62.300 -0.154 0.000 1.177 140 V CB -0.463 31.296 31.823 -0.108 0.000 0.852 140 V HN 0.801 nan 8.190 nan 0.000 0.507 141 F N 0.813 120.777 119.950 0.024 0.000 2.850 141 F HA 0.406 4.933 4.527 0.001 0.000 0.329 141 F C -0.619 175.191 175.800 0.017 0.000 1.182 141 F CA -1.295 56.716 58.000 0.019 0.000 1.270 141 F CB -0.006 39.006 39.000 0.019 0.000 0.979 141 F HN 0.238 nan 8.300 nan 0.000 0.506 142 D N 0.142 120.656 120.400 0.190 0.000 2.432 142 D HA 0.223 4.864 4.640 0.001 0.000 0.265 142 D C -0.430 175.921 176.300 0.084 0.000 1.160 142 D CA -0.209 53.860 54.000 0.114 0.000 0.911 142 D CB 0.278 41.124 40.800 0.076 0.000 1.052 142 D HN 0.173 nan 8.370 nan 0.000 0.508 143 N N 1.464 120.216 118.700 0.087 0.000 2.472 143 N HA 0.409 5.150 4.740 0.001 0.000 0.289 143 N C -2.572 172.975 175.510 0.061 0.000 1.156 143 N CA -1.971 51.120 53.050 0.069 0.000 0.940 143 N CB 1.305 39.836 38.487 0.074 0.000 1.200 143 N HN -0.061 nan 8.380 nan 0.000 0.511 144 P HA -0.040 nan 4.420 nan 0.000 0.258 144 P C -0.683 176.671 177.300 0.090 0.000 1.172 144 P CA 0.761 63.906 63.100 0.074 0.000 0.762 144 P CB 0.592 32.322 31.700 0.050 0.000 0.764 145 S N 2.787 118.560 115.700 0.121 0.000 2.911 145 S HA 0.833 5.304 4.470 0.001 0.000 0.319 145 S C -1.621 173.136 174.600 0.261 0.000 1.154 145 S CA -0.414 57.874 58.200 0.147 0.000 0.857 145 S CB 0.623 63.870 63.200 0.079 0.000 1.279 145 S HN 0.214 nan 8.310 nan 0.000 0.593 146 F N 0.066 120.009 119.950 -0.012 0.000 2.779 146 F HA 0.586 5.114 4.527 0.001 0.000 0.316 146 F C -1.702 174.038 175.800 -0.100 0.000 1.164 146 F CA -1.507 56.447 58.000 -0.078 0.000 0.924 146 F CB 0.701 39.766 39.000 0.109 0.000 1.348 146 F HN 0.551 nan 8.300 nan 0.000 0.467 147 F N 4.384 123.992 119.950 -0.570 0.000 2.571 147 F HA 0.174 4.702 4.527 0.001 0.000 0.390 147 F C 1.652 177.411 175.800 -0.068 0.000 1.043 147 F CA -0.023 57.761 58.000 -0.361 0.000 1.164 147 F CB 0.134 38.796 39.000 -0.563 0.000 1.049 147 F HN 0.253 nan 8.300 nan 0.000 0.552 148 R N 1.924 122.508 120.500 0.140 0.000 2.139 148 R HA -0.195 4.146 4.340 0.001 0.000 0.243 148 R C 1.056 177.463 176.300 0.178 0.000 1.145 148 R CA 1.127 57.311 56.100 0.140 0.000 0.976 148 R CB -0.397 29.946 30.300 0.070 0.000 0.866 148 R HN 0.555 nan 8.270 nan 0.000 0.449 149 N N -0.454 118.340 118.700 0.156 0.000 2.336 149 N HA 0.065 4.806 4.740 0.001 0.000 0.189 149 N C 0.147 175.820 175.510 0.272 0.000 1.113 149 N CA 0.441 53.618 53.050 0.211 0.000 0.858 149 N CB 0.356 38.899 38.487 0.094 0.000 0.970 149 N HN 0.078 nan 8.380 nan 0.000 0.471 150 M N 0.195 119.958 119.600 0.271 0.000 2.664 150 M HA 0.427 4.907 4.480 0.001 0.000 0.314 150 M C -0.476 176.091 176.300 0.445 0.000 1.200 150 M CA -0.940 54.552 55.300 0.320 0.000 0.916 150 M CB 2.086 34.871 32.600 0.309 0.000 1.717 150 M HN -0.433 nan 8.290 nan 0.000 0.470 151 V N 1.518 121.642 119.914 0.350 0.000 2.409 151 V HA 0.262 4.383 4.120 0.001 0.000 0.290 151 V C -1.243 174.941 176.094 0.150 0.000 1.017 151 V CA -0.672 61.780 62.300 0.253 0.000 0.841 151 V CB 1.950 33.876 31.823 0.172 0.000 1.003 151 V HN 0.852 nan 8.190 nan 0.000 0.426 152 W N 7.208 128.397 121.300 -0.185 0.000 2.497 152 W HA 0.430 5.091 4.660 0.001 0.000 0.354 152 W C -0.385 175.965 176.519 -0.282 0.000 1.111 152 W CA -1.393 55.719 57.345 -0.388 0.000 1.510 152 W CB 0.355 29.294 29.460 -0.869 0.000 1.466 152 W HN 0.431 nan 8.180 nan 0.000 0.409 153 L N 7.215 128.516 121.223 0.130 0.000 2.418 153 L HA 0.173 4.513 4.340 0.001 0.000 0.274 153 L C 0.988 177.994 176.870 0.226 0.000 1.135 153 L CA 0.322 55.136 54.840 -0.044 0.000 0.870 153 L CB 0.044 41.880 42.059 -0.372 0.000 1.154 153 L HN 0.260 nan 8.230 nan 0.000 0.462 154 T N -0.037 114.536 114.554 0.031 0.000 2.930 154 T HA 0.391 4.741 4.350 0.001 0.000 0.290 154 T C -0.363 174.392 174.700 0.091 0.000 1.052 154 T CA -1.241 60.889 62.100 0.051 0.000 1.017 154 T CB 1.904 70.581 68.868 -0.320 0.000 1.137 154 T HN 0.561 nan 8.240 nan 0.000 0.511 155 K N 0.729 121.244 120.400 0.192 0.000 2.436 155 K HA 0.172 4.493 4.320 0.001 0.000 0.275 155 K C -0.279 176.298 176.600 -0.039 0.000 0.999 155 K CA -0.568 55.801 56.287 0.137 0.000 0.980 155 K CB 0.552 33.153 32.500 0.169 0.000 0.919 155 K HN 0.708 nan 8.250 nan 0.000 0.484 156 K N 2.671 123.013 120.400 -0.097 0.000 2.253 156 K HA 0.211 4.532 4.320 0.001 0.000 0.277 156 K C 0.669 177.222 176.600 -0.079 0.000 1.053 156 K CA 0.370 56.593 56.287 -0.106 0.000 0.892 156 K CB 0.693 33.102 32.500 -0.151 0.000 1.102 156 K HN 0.876 nan 8.250 nan 0.000 0.469 157 G N 2.899 111.660 108.800 -0.066 0.000 3.729 157 G HA2 -0.325 3.636 3.960 0.001 0.000 0.327 157 G HA3 -0.325 3.636 3.960 0.001 0.000 0.327 157 G C 0.327 175.201 174.900 -0.042 0.000 1.293 157 G CA 0.523 45.592 45.100 -0.052 0.000 1.011 157 G HN 0.617 nan 8.290 nan 0.000 0.673 158 S N 1.074 116.756 115.700 -0.031 0.000 2.828 158 S HA 0.395 4.866 4.470 0.001 0.000 0.240 158 S C -0.515 174.088 174.600 0.005 0.000 0.912 158 S CA -0.048 58.145 58.200 -0.012 0.000 1.100 158 S CB -0.086 63.107 63.200 -0.012 0.000 1.271 158 S HN 0.713 nan 8.310 nan 0.000 0.476 159 N N 0.713 119.412 118.700 -0.001 0.000 2.480 159 N HA 0.257 4.997 4.740 0.001 0.000 0.289 159 N C -1.889 173.634 175.510 0.023 0.000 1.073 159 N CA -0.198 52.860 53.050 0.013 0.000 0.885 159 N CB 1.239 39.709 38.487 -0.028 0.000 1.421 159 N HN 0.304 nan 8.380 nan 0.000 0.503 160 Y N 5.129 125.437 120.300 0.013 0.000 2.804 160 Y HA 0.368 4.919 4.550 0.001 0.000 0.330 160 Y C -2.128 173.830 175.900 0.097 0.000 1.092 160 Y CA -1.589 56.565 58.100 0.091 0.000 1.315 160 Y CB 0.545 39.091 38.460 0.143 0.000 1.188 160 Y HN 0.467 nan 8.280 nan 0.000 0.512 161 P HA -0.029 nan 4.420 nan 0.000 0.272 161 P C -0.537 176.955 177.300 0.320 0.000 1.240 161 P CA -0.278 62.879 63.100 0.095 0.000 0.791 161 P CB 0.755 32.391 31.700 -0.107 0.000 0.978 162 V N 1.041 121.095 119.914 0.233 0.000 2.506 162 V HA 0.059 4.180 4.120 0.001 0.000 0.296 162 V C 0.838 177.100 176.094 0.280 0.000 1.004 162 V CA 0.536 62.973 62.300 0.227 0.000 1.150 162 V CB -0.782 31.145 31.823 0.173 0.000 0.911 162 V HN 0.658 nan 8.190 nan 0.000 0.476 163 A N 7.498 130.442 122.820 0.205 0.000 2.362 163 A HA 0.563 4.883 4.320 0.001 0.000 0.276 163 A C 0.169 177.904 177.584 0.251 0.000 1.153 163 A CA -0.398 51.707 52.037 0.113 0.000 0.813 163 A CB 0.235 19.036 19.000 -0.333 0.000 1.081 163 A HN 0.811 nan 8.150 nan 0.000 0.507 164 K N 1.796 122.449 120.400 0.421 0.000 2.471 164 K HA 0.600 4.921 4.320 0.001 0.000 0.252 164 K C -0.313 176.490 176.600 0.337 0.000 0.938 164 K CA -0.402 56.085 56.287 0.335 0.000 0.796 164 K CB 2.577 35.197 32.500 0.200 0.000 1.161 164 K HN 0.875 nan 8.250 nan 0.000 0.425 165 G N 0.402 109.419 108.800 0.362 0.000 2.660 165 G HA2 0.656 4.616 3.960 0.001 0.000 0.294 165 G HA3 0.656 4.616 3.960 0.001 0.000 0.294 165 G C -1.255 173.789 174.900 0.240 0.000 1.369 165 G CA -0.627 44.607 45.100 0.223 0.000 0.912 165 G HN 0.524 nan 8.290 nan 0.000 0.479 166 S N -0.863 114.932 115.700 0.159 0.000 2.552 166 S HA 0.703 5.173 4.470 0.001 0.000 0.272 166 S C -1.804 172.903 174.600 0.179 0.000 1.150 166 S CA -0.865 57.423 58.200 0.148 0.000 0.849 166 S CB 1.750 64.989 63.200 0.065 0.000 1.113 166 S HN 1.643 nan 8.310 nan 0.000 0.458 167 Y N 1.976 122.298 120.300 0.037 0.000 2.433 167 Y HA 0.623 5.174 4.550 0.001 0.000 0.337 167 Y C -1.338 174.577 175.900 0.026 0.000 1.026 167 Y CA -0.593 57.526 58.100 0.032 0.000 1.037 167 Y CB 1.692 40.186 38.460 0.057 0.000 1.245 167 Y HN 0.907 nan 8.280 nan 0.000 0.443 168 N N 4.294 122.609 118.700 -0.641 0.000 2.419 168 N HA 0.119 4.860 4.740 0.001 0.000 0.277 168 N C -1.195 173.887 175.510 -0.714 0.000 1.006 168 N CA -0.304 52.493 53.050 -0.422 0.000 0.923 168 N CB 0.985 39.344 38.487 -0.213 0.000 1.140 168 N HN 0.821 nan 8.380 nan 0.000 0.488 169 N N 1.986 120.572 118.700 -0.190 0.000 2.671 169 N HA -0.009 4.731 4.740 0.001 0.000 0.274 169 N C 0.388 175.827 175.510 -0.119 0.000 1.188 169 N CA 0.056 53.110 53.050 0.006 0.000 1.065 169 N CB -0.032 38.517 38.487 0.103 0.000 1.415 169 N HN 0.490 nan 8.380 nan 0.000 0.511 170 T N -1.905 112.589 114.554 -0.100 0.000 3.206 170 T HA 0.025 4.375 4.350 0.001 0.000 0.253 170 T C 1.389 176.049 174.700 -0.066 0.000 1.042 170 T CA 0.067 62.195 62.100 0.047 0.000 0.931 170 T CB -0.336 68.641 68.868 0.182 0.000 1.029 170 T HN 0.283 nan 8.240 nan 0.000 0.564 171 S N 0.287 115.920 115.700 -0.111 0.000 2.527 171 S HA 0.397 4.868 4.470 0.001 0.000 0.222 171 S C 2.112 176.638 174.600 -0.123 0.000 0.985 171 S CA 0.415 58.590 58.200 -0.042 0.000 0.921 171 S CB -0.589 62.633 63.200 0.037 0.000 0.772 171 S HN 1.111 nan 8.310 nan 0.000 0.529 172 G N 0.005 108.601 108.800 -0.341 0.000 2.241 172 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 172 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 172 G C -0.092 174.675 174.900 -0.222 0.000 0.998 172 G CA 0.309 45.228 45.100 -0.302 0.000 0.621 172 G HN 0.707 nan 8.290 nan 0.000 0.519 173 E N 0.217 120.320 120.200 -0.161 0.000 2.367 173 E HA 0.618 4.969 4.350 0.001 0.000 0.273 173 E C 0.194 176.744 176.600 -0.083 0.000 0.903 173 E CA -0.643 55.702 56.400 -0.093 0.000 0.764 173 E CB 0.919 30.611 29.700 -0.013 0.000 1.252 173 E HN 0.362 nan 8.360 nan 0.000 0.446 174 Q N 1.540 121.313 119.800 -0.046 0.000 2.354 174 Q HA 0.077 4.418 4.340 0.001 0.000 0.310 174 Q C -0.383 175.630 176.000 0.021 0.000 1.104 174 Q CA 0.854 56.656 55.803 -0.002 0.000 0.968 174 Q CB 0.531 29.292 28.738 0.037 0.000 1.251 174 Q HN 0.488 nan 8.270 nan 0.000 0.411 175 M N 2.841 122.477 119.600 0.058 0.000 2.327 175 M HA 0.348 4.829 4.480 0.001 0.000 0.298 175 M C -1.807 174.582 176.300 0.149 0.000 1.065 175 M CA -1.080 54.260 55.300 0.067 0.000 0.916 175 M CB 1.250 33.871 32.600 0.036 0.000 1.630 175 M HN 0.582 nan 8.290 nan 0.000 0.442 176 L N 6.731 128.064 121.223 0.184 0.000 2.290 176 L HA 0.614 4.955 4.340 0.001 0.000 0.284 176 L C -1.572 175.496 176.870 0.331 0.000 1.078 176 L CA 0.256 55.263 54.840 0.278 0.000 0.815 176 L CB 0.555 42.755 42.059 0.235 0.000 1.162 176 L HN 0.678 nan 8.230 nan 0.000 0.435 177 I N 6.385 127.187 120.570 0.385 0.000 2.533 177 I HA 0.422 4.592 4.170 0.001 0.000 0.290 177 I C -0.692 175.737 176.117 0.520 0.000 1.056 177 I CA -0.518 61.032 61.300 0.416 0.000 1.057 177 I CB 1.886 40.118 38.000 0.388 0.000 1.240 177 I HN 0.512 nan 8.210 nan 0.000 0.423 178 I N 4.937 125.775 120.570 0.447 0.000 2.530 178 I HA 0.499 4.669 4.170 0.001 0.000 0.297 178 I C -1.072 175.290 176.117 0.409 0.000 1.011 178 I CA -0.545 60.948 61.300 0.322 0.000 1.107 178 I CB 1.768 39.861 38.000 0.155 0.000 1.285 178 I HN 0.662 nan 8.210 nan 0.000 0.436 179 W N 3.866 125.283 121.300 0.195 0.000 3.029 179 W HA 0.885 5.545 4.660 0.001 0.000 0.339 179 W C -0.822 175.720 176.519 0.038 0.000 1.198 179 W CA -1.015 56.394 57.345 0.107 0.000 1.148 179 W CB 0.838 30.388 29.460 0.151 0.000 1.451 179 W HN 0.550 nan 8.180 nan 0.000 0.564 180 G N 0.315 109.166 108.800 0.085 0.000 2.537 180 G HA2 0.697 4.658 3.960 0.001 0.000 0.308 180 G HA3 0.697 4.658 3.960 0.001 0.000 0.308 180 G C -2.208 172.533 174.900 -0.266 0.000 1.237 180 G CA -1.163 43.688 45.100 -0.414 0.000 0.968 180 G HN 0.689 nan 8.290 nan 0.000 0.481 181 V N 0.815 120.455 119.914 -0.456 0.000 2.569 181 V HA 0.282 4.402 4.120 0.001 0.000 0.301 181 V C -0.873 174.842 176.094 -0.632 0.000 1.044 181 V CA -0.787 61.261 62.300 -0.419 0.000 0.874 181 V CB 1.461 33.099 31.823 -0.310 0.000 1.002 181 V HN 0.978 nan 8.190 nan 0.000 0.424 182 H N 4.597 123.298 119.070 -0.616 0.000 2.580 182 H HA 0.478 5.035 4.556 0.001 0.000 0.322 182 H C -0.512 174.537 175.328 -0.465 0.000 1.082 182 H CA -0.173 55.579 56.048 -0.493 0.000 1.383 182 H CB 0.700 30.293 29.762 -0.282 0.000 1.450 182 H HN 0.672 nan 8.280 nan 0.000 0.505 183 H N 6.683 125.396 119.070 -0.594 0.000 2.673 183 H HA 0.234 4.790 4.556 0.001 0.000 0.293 183 H C -2.466 172.598 175.328 -0.440 0.000 1.065 183 H CA -2.166 53.658 56.048 -0.373 0.000 1.236 183 H CB 0.965 30.612 29.762 -0.192 0.000 1.389 183 H HN 0.646 nan 8.280 nan 0.000 0.481 184 P HA 0.139 nan 4.420 nan 0.000 0.276 184 P C 0.548 177.905 177.300 0.096 0.000 1.252 184 P CA -0.434 62.719 63.100 0.088 0.000 0.802 184 P CB 1.367 33.242 31.700 0.292 0.000 1.035 185 N N -0.226 118.548 118.700 0.124 0.000 2.188 185 N HA -0.083 4.657 4.740 0.001 0.000 0.184 185 N C -0.043 175.508 175.510 0.069 0.000 1.018 185 N CA 1.275 54.376 53.050 0.086 0.000 0.858 185 N CB -0.208 38.333 38.487 0.089 0.000 0.989 185 N HN 0.618 nan 8.380 nan 0.000 0.426 186 D N -2.167 118.281 120.400 0.079 0.000 2.626 186 D HA 0.217 4.857 4.640 0.001 0.000 0.278 186 D C 0.104 176.445 176.300 0.067 0.000 1.211 186 D CA -0.670 53.367 54.000 0.061 0.000 0.903 186 D CB 0.622 41.452 40.800 0.049 0.000 1.408 186 D HN -0.306 nan 8.370 nan 0.000 0.454 187 E N -0.364 119.867 120.200 0.053 0.000 2.153 187 E HA -0.171 4.180 4.350 0.001 0.000 0.194 187 E C 1.863 178.495 176.600 0.052 0.000 0.988 187 E CA 2.051 58.483 56.400 0.052 0.000 0.811 187 E CB -0.403 29.320 29.700 0.039 0.000 0.746 187 E HN 0.718 nan 8.360 nan 0.000 0.466 188 T N -0.904 113.676 114.554 0.043 0.000 2.851 188 T HA -0.116 4.234 4.350 0.001 0.000 0.262 188 T C 1.877 176.595 174.700 0.030 0.000 1.043 188 T CA 1.346 63.465 62.100 0.031 0.000 1.140 188 T CB -0.012 68.869 68.868 0.022 0.000 0.872 188 T HN 0.148 nan 8.240 nan 0.000 0.446 189 E N 0.310 120.540 120.200 0.049 0.000 2.130 189 E HA -0.301 4.049 4.350 0.001 0.000 0.196 189 E C 2.341 178.975 176.600 0.057 0.000 0.998 189 E CA 1.579 58.013 56.400 0.056 0.000 0.806 189 E CB -0.211 29.559 29.700 0.116 0.000 0.738 189 E HN 0.630 nan 8.360 nan 0.000 0.459 190 Q N 0.885 120.750 119.800 0.110 0.000 2.030 190 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 190 Q C 2.057 178.114 176.000 0.095 0.000 0.986 190 Q CA 2.012 57.917 55.803 0.171 0.000 0.843 190 Q CB -0.076 28.753 28.738 0.152 0.000 0.904 190 Q HN 0.209 nan 8.270 nan 0.000 0.420 191 R N -0.891 119.636 120.500 0.046 0.000 2.066 191 R HA -0.039 4.301 4.340 0.001 0.000 0.232 191 R C 2.395 178.675 176.300 -0.033 0.000 1.131 191 R CA 1.660 57.771 56.100 0.018 0.000 0.955 191 R CB -0.614 29.697 30.300 0.019 0.000 0.851 191 R HN 0.315 nan 8.270 nan 0.000 0.432 192 T N 1.674 116.196 114.554 -0.054 0.000 2.721 192 T HA -0.162 4.188 4.350 0.001 0.000 0.268 192 T C 1.823 176.412 174.700 -0.185 0.000 1.038 192 T CA 1.277 63.320 62.100 -0.095 0.000 1.145 192 T CB -0.074 68.743 68.868 -0.086 0.000 0.858 192 T HN 0.157 nan 8.240 nan 0.000 0.459 193 L N -1.683 119.355 121.223 -0.309 0.000 2.269 193 L HA 0.170 4.510 4.340 0.001 0.000 0.200 193 L C 1.286 177.783 176.870 -0.621 0.000 1.069 193 L CA 0.801 55.251 54.840 -0.649 0.000 0.804 193 L CB 0.117 41.494 42.059 -1.138 0.000 0.987 193 L HN 0.257 nan 8.230 nan 0.000 0.468 194 Y N -1.439 118.845 120.300 -0.027 0.000 2.641 194 Y HA 0.255 4.805 4.550 0.001 0.000 0.248 194 Y C 1.273 177.136 175.900 -0.061 0.000 1.170 194 Y CA -0.340 57.694 58.100 -0.110 0.000 1.201 194 Y CB 0.306 38.534 38.460 -0.386 0.000 1.232 194 Y HN 0.080 nan 8.280 nan 0.000 0.537 195 Q N 1.324 121.166 119.800 0.070 0.000 1.914 195 Q HA -0.311 4.029 4.340 0.001 0.000 0.217 195 Q C -0.484 175.548 176.000 0.054 0.000 2.819 195 Q CA 2.223 58.064 55.803 0.063 0.000 0.438 195 Q CB -1.481 27.316 28.738 0.098 0.000 0.787 195 Q HN 0.636 nan 8.270 nan 0.000 0.466 196 N N 1.316 120.047 118.700 0.052 0.000 2.488 196 N HA 0.428 5.168 4.740 0.001 0.000 0.274 196 N C -0.255 175.270 175.510 0.024 0.000 1.111 196 N CA 0.252 53.324 53.050 0.036 0.000 0.974 196 N CB 1.061 39.570 38.487 0.037 0.000 1.089 196 N HN 0.305 nan 8.380 nan 0.000 0.465 197 V N 0.628 120.562 119.914 0.034 0.000 3.133 197 V HA 0.474 4.595 4.120 0.001 0.000 0.305 197 V C 1.556 177.667 176.094 0.030 0.000 1.084 197 V CA 0.281 62.602 62.300 0.034 0.000 1.089 197 V CB 0.512 32.359 31.823 0.039 0.000 1.073 197 V HN 1.031 nan 8.190 nan 0.000 0.477 198 G N 1.497 110.316 108.800 0.032 0.000 2.198 198 G HA2 -0.063 3.897 3.960 0.001 0.000 0.260 198 G HA3 -0.063 3.897 3.960 0.001 0.000 0.260 198 G C 0.312 175.247 174.900 0.058 0.000 1.025 198 G CA 0.238 45.366 45.100 0.047 0.000 0.769 198 G HN 1.460 nan 8.290 nan 0.000 0.507 199 A N -0.490 122.325 122.820 -0.009 0.000 2.327 199 A HA 0.798 5.118 4.320 0.001 0.000 0.255 199 A C 0.031 177.605 177.584 -0.018 0.000 1.099 199 A CA 0.594 52.571 52.037 -0.099 0.000 0.801 199 A CB 0.448 19.287 19.000 -0.269 0.000 1.062 199 A HN 1.895 nan 8.150 nan 0.000 0.496 200 Y N -2.724 117.516 120.300 -0.101 0.000 2.588 200 Y HA 0.677 5.228 4.550 0.001 0.000 0.343 200 Y C -1.176 174.675 175.900 -0.083 0.000 1.065 200 Y CA -1.446 56.611 58.100 -0.072 0.000 1.038 200 Y CB 1.121 39.561 38.460 -0.033 0.000 1.297 200 Y HN 0.389 nan 8.280 nan 0.000 0.467 201 V N 2.827 122.818 119.914 0.128 0.000 2.444 201 V HA 0.611 4.731 4.120 0.001 0.000 0.294 201 V C -0.812 175.398 176.094 0.194 0.000 1.022 201 V CA -0.415 61.935 62.300 0.083 0.000 0.850 201 V CB 1.544 33.374 31.823 0.012 0.000 0.992 201 V HN 0.914 nan 8.190 nan 0.000 0.426 202 S N 4.444 120.264 115.700 0.200 0.000 2.659 202 S HA 0.798 5.268 4.470 0.001 0.000 0.312 202 S C -0.896 173.660 174.600 -0.073 0.000 1.114 202 S CA -0.630 57.622 58.200 0.088 0.000 1.063 202 S CB 1.540 64.807 63.200 0.112 0.000 0.996 202 S HN 0.379 nan 8.310 nan 0.000 0.478 203 V N 2.375 122.141 119.914 -0.246 0.000 2.713 203 V HA 0.947 5.067 4.120 0.001 0.000 0.307 203 V C 0.762 176.641 176.094 -0.358 0.000 1.052 203 V CA -0.287 61.689 62.300 -0.541 0.000 0.967 203 V CB 1.698 32.854 31.823 -1.110 0.000 1.019 203 V HN 1.194 nan 8.190 nan 0.000 0.459 204 G N 1.046 109.618 108.800 -0.381 0.000 2.753 204 G HA2 0.671 4.632 3.960 0.001 0.000 0.295 204 G HA3 0.671 4.632 3.960 0.001 0.000 0.295 204 G C -0.688 174.099 174.900 -0.188 0.000 1.437 204 G CA 0.192 45.162 45.100 -0.216 0.000 1.094 204 G HN 0.960 nan 8.290 nan 0.000 0.540 205 T N -1.963 112.523 114.554 -0.114 0.000 2.626 205 T HA 0.568 4.918 4.350 0.001 0.000 0.279 205 T C 1.396 176.078 174.700 -0.029 0.000 0.983 205 T CA 0.266 62.329 62.100 -0.063 0.000 1.059 205 T CB 1.141 69.987 68.868 -0.037 0.000 1.396 205 T HN 0.303 nan 8.240 nan 0.000 0.519 206 S N 0.490 116.187 115.700 -0.004 0.000 2.453 206 S HA 0.017 4.487 4.470 0.001 0.000 0.231 206 S C 1.860 176.464 174.600 0.006 0.000 1.005 206 S CA 1.443 59.647 58.200 0.006 0.000 0.949 206 S CB -0.603 62.611 63.200 0.023 0.000 0.774 206 S HN 0.986 nan 8.310 nan 0.000 0.510 207 T N -1.749 112.809 114.554 0.006 0.000 2.964 207 T HA 0.358 4.708 4.350 0.001 0.000 0.250 207 T C 0.169 174.871 174.700 0.002 0.000 0.982 207 T CA -0.368 61.738 62.100 0.009 0.000 0.959 207 T CB -0.228 68.652 68.868 0.021 0.000 1.141 207 T HN 0.153 nan 8.240 nan 0.000 0.494 208 L N 2.708 123.928 121.223 -0.005 0.000 2.307 208 L HA 0.768 5.108 4.340 0.001 0.000 0.282 208 L C -1.035 175.817 176.870 -0.029 0.000 1.051 208 L CA -0.442 54.394 54.840 -0.007 0.000 0.804 208 L CB 1.344 43.406 42.059 0.004 0.000 1.197 208 L HN 0.353 nan 8.230 nan 0.000 0.431 209 N N 3.607 122.298 118.700 -0.015 0.000 2.519 209 N HA 0.487 5.228 4.740 0.001 0.000 0.291 209 N C -1.785 173.723 175.510 -0.003 0.000 1.107 209 N CA -0.619 52.415 53.050 -0.027 0.000 0.904 209 N CB 0.951 39.424 38.487 -0.024 0.000 1.500 209 N HN 0.647 nan 8.380 nan 0.000 0.510 210 K N 2.518 122.913 120.400 -0.007 0.000 2.561 210 K HA 0.427 4.747 4.320 0.001 0.000 0.254 210 K C -1.745 174.873 176.600 0.030 0.000 0.942 210 K CA -0.687 55.623 56.287 0.037 0.000 0.818 210 K CB 1.431 34.002 32.500 0.119 0.000 1.306 210 K HN 0.548 nan 8.250 nan 0.000 0.435 211 R N 2.235 122.757 120.500 0.037 0.000 2.439 211 R HA 0.431 4.771 4.340 0.001 0.000 0.310 211 R C -1.369 174.978 176.300 0.079 0.000 0.955 211 R CA -0.373 55.754 56.100 0.046 0.000 0.853 211 R CB 1.931 32.218 30.300 -0.022 0.000 1.171 211 R HN 0.557 nan 8.270 nan 0.000 0.449 212 S N 4.324 120.095 115.700 0.118 0.000 2.501 212 S HA 0.554 5.024 4.470 0.001 0.000 0.301 212 S C -0.883 173.779 174.600 0.104 0.000 1.096 212 S CA -0.664 57.603 58.200 0.111 0.000 1.063 212 S CB 1.147 64.424 63.200 0.128 0.000 1.042 212 S HN 0.433 nan 8.310 nan 0.000 0.494 213 L N 3.340 124.618 121.223 0.091 0.000 2.346 213 L HA 0.489 4.829 4.340 0.001 0.000 0.276 213 L C -2.493 174.436 176.870 0.098 0.000 1.006 213 L CA -2.430 52.457 54.840 0.077 0.000 0.817 213 L CB 1.321 43.421 42.059 0.067 0.000 1.272 213 L HN 0.350 nan 8.230 nan 0.000 0.421 214 P HA 0.053 nan 4.420 nan 0.000 0.263 214 P C -0.998 176.423 177.300 0.203 0.000 1.195 214 P CA 0.082 63.279 63.100 0.163 0.000 0.762 214 P CB 0.369 32.089 31.700 0.033 0.000 0.799 215 E N 3.198 123.548 120.200 0.249 0.000 2.115 215 E HA 0.336 4.686 4.350 0.001 0.000 0.282 215 E C -0.120 176.450 176.600 -0.051 0.000 0.987 215 E CA -0.389 55.984 56.400 -0.043 0.000 0.797 215 E CB 0.758 30.313 29.700 -0.242 0.000 1.086 215 E HN 0.398 nan 8.360 nan 0.000 0.397 216 I N 2.391 122.961 120.570 0.001 0.000 2.460 216 I HA 0.679 4.849 4.170 0.001 0.000 0.298 216 I C -0.107 176.007 176.117 -0.005 0.000 0.989 216 I CA -0.584 60.727 61.300 0.017 0.000 1.173 216 I CB 1.672 39.700 38.000 0.046 0.000 1.338 216 I HN 0.526 nan 8.210 nan 0.000 0.456 217 A N 2.940 125.760 122.820 -0.000 0.000 2.599 217 A HA 0.573 4.893 4.320 0.001 0.000 0.294 217 A C -0.749 176.841 177.584 0.009 0.000 1.055 217 A CA -0.610 51.426 52.037 -0.003 0.000 0.683 217 A CB 1.237 20.224 19.000 -0.021 0.000 1.278 217 A HN 0.556 nan 8.150 nan 0.000 0.412 218 T N 2.699 117.259 114.554 0.011 0.000 2.738 218 T HA 0.456 4.807 4.350 0.001 0.000 0.293 218 T C 0.193 174.900 174.700 0.012 0.000 0.913 218 T CA 0.139 62.249 62.100 0.016 0.000 1.103 218 T CB -0.350 68.526 68.868 0.015 0.000 0.880 218 T HN 0.584 nan 8.240 nan 0.000 0.526 219 R N 3.001 123.510 120.500 0.016 0.000 2.832 219 R HA 0.614 4.954 4.340 0.001 0.000 0.271 219 R C -2.559 173.748 176.300 0.013 0.000 0.996 219 R CA -2.118 53.989 56.100 0.012 0.000 0.977 219 R CB 0.239 30.547 30.300 0.013 0.000 1.168 219 R HN 0.335 nan 8.270 nan 0.000 0.482 220 P HA 0.055 nan 4.420 nan 0.000 0.275 220 P C -0.923 176.379 177.300 0.004 0.000 1.270 220 P CA -0.459 62.645 63.100 0.007 0.000 0.791 220 P CB 0.467 32.170 31.700 0.005 0.000 1.089 221 E N -0.446 119.754 120.200 0.001 0.000 2.146 221 E HA 0.368 4.719 4.350 0.001 0.000 0.282 221 E C -1.089 175.502 176.600 -0.016 0.000 0.989 221 E CA -0.595 55.801 56.400 -0.008 0.000 0.799 221 E CB 1.054 30.752 29.700 -0.003 0.000 1.088 221 E HN 0.031 nan 8.360 nan 0.000 0.397 222 V N 4.415 124.309 119.914 -0.033 0.000 2.378 222 V HA 0.119 4.239 4.120 0.001 0.000 0.288 222 V C -0.273 175.784 176.094 -0.062 0.000 1.016 222 V CA -0.892 61.387 62.300 -0.035 0.000 0.840 222 V CB 1.040 32.846 31.823 -0.029 0.000 0.994 222 V HN 0.782 nan 8.190 nan 0.000 0.431 223 N N 3.783 122.459 118.700 -0.041 0.000 2.735 223 N HA -0.190 4.550 4.740 0.001 0.000 0.248 223 N C 1.154 176.634 175.510 -0.050 0.000 1.083 223 N CA 1.532 54.555 53.050 -0.045 0.000 0.703 223 N CB -1.208 37.243 38.487 -0.061 0.000 1.005 223 N HN 1.490 nan 8.380 nan 0.000 0.550 224 G N -1.904 106.877 108.800 -0.033 0.000 2.187 224 G HA2 -0.357 3.604 3.960 0.001 0.000 0.261 224 G HA3 -0.357 3.604 3.960 0.001 0.000 0.261 224 G C -0.268 174.615 174.900 -0.028 0.000 1.000 224 G CA 0.741 45.830 45.100 -0.019 0.000 0.718 224 G HN 0.460 nan 8.290 nan 0.000 0.519 225 Q N -1.031 118.725 119.800 -0.074 0.000 2.342 225 Q HA 0.632 4.973 4.340 0.001 0.000 0.267 225 Q C 1.037 177.005 176.000 -0.054 0.000 1.038 225 Q CA 0.004 55.747 55.803 -0.100 0.000 0.832 225 Q CB 1.571 30.098 28.738 -0.352 0.000 1.323 225 Q HN 0.346 nan 8.270 nan 0.000 0.448 226 G N 0.940 109.750 108.800 0.016 0.000 2.850 226 G HA2 0.169 4.129 3.960 0.001 0.000 0.211 226 G HA3 0.169 4.129 3.960 0.001 0.000 0.211 226 G C 0.611 175.556 174.900 0.075 0.000 1.124 226 G CA 0.360 45.483 45.100 0.039 0.000 0.769 226 G HN 0.591 nan 8.290 nan 0.000 0.535 227 G N -0.080 108.811 108.800 0.153 0.000 2.651 227 G HA2 0.511 4.471 3.960 0.001 0.000 0.260 227 G HA3 0.511 4.471 3.960 0.001 0.000 0.260 227 G C -0.491 174.553 174.900 0.241 0.000 1.216 227 G CA -0.434 44.815 45.100 0.248 0.000 0.913 227 G HN 0.151 nan 8.290 nan 0.000 0.535 228 R N -0.451 120.187 120.500 0.229 0.000 2.584 228 R HA 0.300 4.640 4.340 0.001 0.000 0.276 228 R C -0.894 175.501 176.300 0.157 0.000 1.046 228 R CA -0.619 55.631 56.100 0.251 0.000 0.906 228 R CB 1.960 32.350 30.300 0.150 0.000 1.215 228 R HN 0.521 nan 8.270 nan 0.000 0.449 229 M N 1.920 121.619 119.600 0.165 0.000 2.114 229 M HA 0.304 4.784 4.480 0.001 0.000 0.332 229 M C 0.041 176.121 176.300 -0.368 0.000 1.014 229 M CA -0.446 54.704 55.300 -0.251 0.000 0.956 229 M CB 2.048 34.425 32.600 -0.371 0.000 1.551 229 M HN 0.419 nan 8.290 nan 0.000 0.427 230 E N 4.364 124.319 120.200 -0.408 0.000 2.046 230 E HA 0.370 4.720 4.350 0.001 0.000 0.279 230 E C -1.576 174.703 176.600 -0.536 0.000 0.989 230 E CA -0.364 55.874 56.400 -0.270 0.000 0.798 230 E CB 0.710 30.419 29.700 0.014 0.000 1.086 230 E HN 0.430 nan 8.360 nan 0.000 0.399 231 F N 2.195 121.903 119.950 -0.404 0.000 2.379 231 F HA 0.380 4.907 4.527 0.001 0.000 0.332 231 F C 0.590 175.914 175.800 -0.794 0.000 1.096 231 F CA -0.318 57.263 58.000 -0.699 0.000 1.105 231 F CB 1.867 40.258 39.000 -1.016 0.000 1.189 231 F HN 0.295 nan 8.300 nan 0.000 0.515 232 S N 1.556 116.811 115.700 -0.743 0.000 2.661 232 S HA 0.610 5.080 4.470 0.001 0.000 0.285 232 S C -1.636 172.476 174.600 -0.812 0.000 1.138 232 S CA -0.814 56.929 58.200 -0.761 0.000 0.855 232 S CB 2.363 64.987 63.200 -0.960 0.000 1.136 232 S HN 0.718 nan 8.310 nan 0.000 0.484 233 W N -0.167 120.750 121.300 -0.639 0.000 3.075 233 W HA 0.786 5.447 4.660 0.001 0.000 0.334 233 W C -1.377 175.144 176.519 0.003 0.000 1.243 233 W CA -0.659 56.532 57.345 -0.258 0.000 1.170 233 W CB 0.846 30.343 29.460 0.063 0.000 1.452 233 W HN 0.707 nan 8.180 nan 0.000 0.572 234 T N 1.002 115.819 114.554 0.438 0.000 2.769 234 T HA 0.516 4.866 4.350 0.001 0.000 0.306 234 T C -1.793 173.170 174.700 0.439 0.000 1.400 234 T CA -0.567 61.705 62.100 0.286 0.000 1.007 234 T CB 1.630 70.685 68.868 0.312 0.000 1.392 234 T HN 0.343 nan 8.240 nan 0.000 0.500 235 I N 3.534 124.292 120.570 0.313 0.000 2.336 235 I HA 0.413 4.583 4.170 0.001 0.000 0.292 235 I C -0.419 175.808 176.117 0.185 0.000 0.991 235 I CA -0.786 60.679 61.300 0.275 0.000 1.227 235 I CB 1.232 39.384 38.000 0.253 0.000 1.366 235 I HN 0.495 nan 8.210 nan 0.000 0.466 236 L N 7.080 128.403 121.223 0.167 0.000 2.261 236 L HA 0.348 4.689 4.340 0.001 0.000 0.289 236 L C 0.176 177.098 176.870 0.087 0.000 1.059 236 L CA 0.056 54.972 54.840 0.127 0.000 0.816 236 L CB 0.182 42.331 42.059 0.150 0.000 1.191 236 L HN 0.427 nan 8.230 nan 0.000 0.431 237 D N 3.617 124.058 120.400 0.068 0.000 2.362 237 D HA 0.105 4.746 4.640 0.001 0.000 0.238 237 D C 0.287 176.576 176.300 -0.018 0.000 1.212 237 D CA 0.005 54.026 54.000 0.035 0.000 0.902 237 D CB 0.803 41.633 40.800 0.049 0.000 1.180 237 D HN 0.474 nan 8.370 nan 0.000 0.445 238 I N 1.959 122.464 120.570 -0.109 0.000 2.683 238 I HA -0.113 4.058 4.170 0.001 0.000 0.286 238 I C 0.532 176.520 176.117 -0.214 0.000 1.175 238 I CA 0.123 61.203 61.300 -0.366 0.000 1.429 238 I CB -0.022 37.620 38.000 -0.597 0.000 1.371 238 I HN 0.747 nan 8.210 nan 0.000 0.569 239 W N 2.403 123.719 121.300 0.027 0.000 2.869 239 W HA -0.250 4.410 4.660 0.001 0.000 0.285 239 W C 0.291 176.808 176.519 -0.002 0.000 1.098 239 W CA 0.116 57.461 57.345 -0.001 0.000 0.571 239 W CB -1.393 28.067 29.460 -0.001 0.000 2.131 239 W HN 0.524 nan 8.180 nan 0.000 1.367 240 D N 0.547 121.038 120.400 0.151 0.000 2.229 240 D HA 0.509 5.150 4.640 0.001 0.000 0.249 240 D C 0.320 176.666 176.300 0.078 0.000 1.027 240 D CA 0.431 54.492 54.000 0.103 0.000 0.923 240 D CB 1.298 42.145 40.800 0.078 0.000 1.174 240 D HN -0.073 nan 8.370 nan 0.000 0.443 241 T N 0.505 115.088 114.554 0.049 0.000 2.885 241 T HA 0.562 4.912 4.350 0.001 0.000 0.285 241 T C -0.342 174.364 174.700 0.010 0.000 1.019 241 T CA -0.903 61.217 62.100 0.034 0.000 1.010 241 T CB 0.696 69.565 68.868 0.002 0.000 1.022 241 T HN 0.363 nan 8.240 nan 0.000 0.466 242 I N 2.793 123.372 120.570 0.016 0.000 2.404 242 I HA 0.502 4.673 4.170 0.001 0.000 0.293 242 I C -1.097 174.904 176.117 -0.193 0.000 0.992 242 I CA -1.002 60.219 61.300 -0.130 0.000 1.149 242 I CB 1.207 39.109 38.000 -0.163 0.000 1.315 242 I HN 0.824 nan 8.210 nan 0.000 0.446 243 N N 7.013 125.542 118.700 -0.286 0.000 2.443 243 N HA 0.419 5.159 4.740 0.001 0.000 0.269 243 N C -1.499 173.818 175.510 -0.322 0.000 0.985 243 N CA -0.500 52.436 53.050 -0.190 0.000 0.921 243 N CB 1.253 39.689 38.487 -0.086 0.000 1.195 243 N HN 0.306 nan 8.380 nan 0.000 0.492 244 F N 1.188 121.130 119.950 -0.013 0.000 2.379 244 F HA 0.371 4.898 4.527 0.001 0.000 0.332 244 F C 0.697 176.519 175.800 0.038 0.000 1.096 244 F CA -0.462 57.516 58.000 -0.037 0.000 1.105 244 F CB 1.216 40.217 39.000 0.002 0.000 1.189 244 F HN 0.381 nan 8.300 nan 0.000 0.515 245 E N 1.366 121.697 120.200 0.219 0.000 2.307 245 E HA 0.454 4.804 4.350 0.001 0.000 0.280 245 E C -1.755 174.909 176.600 0.105 0.000 0.900 245 E CA -0.428 56.088 56.400 0.194 0.000 0.790 245 E CB 1.603 31.439 29.700 0.227 0.000 1.261 245 E HN 0.513 nan 8.360 nan 0.000 0.405 246 S N 2.374 118.036 115.700 -0.064 0.000 2.575 246 S HA 0.298 4.769 4.470 0.001 0.000 0.278 246 S C -0.238 174.154 174.600 -0.347 0.000 1.139 246 S CA -0.306 57.688 58.200 -0.343 0.000 0.954 246 S CB 1.401 64.462 63.200 -0.231 0.000 1.054 246 S HN 0.544 nan 8.310 nan 0.000 0.483 247 T N 1.068 115.176 114.554 -0.744 0.000 3.284 247 T HA 0.604 4.955 4.350 0.001 0.000 0.249 247 T C 0.795 175.139 174.700 -0.593 0.000 0.944 247 T CA 0.115 61.981 62.100 -0.391 0.000 0.919 247 T CB -0.742 67.917 68.868 -0.348 0.000 1.089 247 T HN 1.645 nan 8.240 nan 0.000 0.576 248 G N 1.359 109.625 108.800 -0.889 0.000 2.592 248 G HA2 0.121 4.082 3.960 0.001 0.000 0.685 248 G HA3 0.121 4.082 3.960 0.001 0.000 0.685 248 G C -0.074 174.244 174.900 -0.970 0.000 1.278 248 G CA -0.434 43.826 45.100 -1.400 0.000 0.822 248 G HN 0.282 nan 8.290 nan 0.000 0.652 249 N N -2.587 115.282 118.700 -1.385 0.000 2.994 249 N HA -0.176 4.565 4.740 0.001 0.000 0.221 249 N C 0.548 175.724 175.510 -0.558 0.000 0.900 249 N CA 1.240 53.583 53.050 -1.179 0.000 1.008 249 N CB -0.831 37.207 38.487 -0.750 0.000 1.053 249 N HN 1.471 nan 8.380 nan 0.000 0.580 250 L N 2.492 123.475 121.223 -0.400 0.000 2.349 250 L HA 0.409 4.750 4.340 0.001 0.000 0.275 250 L C 0.209 176.950 176.870 -0.216 0.000 1.115 250 L CA 0.001 54.687 54.840 -0.257 0.000 0.820 250 L CB 0.457 42.370 42.059 -0.243 0.000 1.135 250 L HN 0.015 nan 8.230 nan 0.000 0.445 251 I N 6.195 126.649 120.570 -0.193 0.000 2.479 251 I HA 0.355 4.525 4.170 0.001 0.000 0.279 251 I C 0.681 176.758 176.117 -0.067 0.000 1.102 251 I CA -0.359 60.865 61.300 -0.126 0.000 1.196 251 I CB -0.236 37.691 38.000 -0.121 0.000 1.427 251 I HN 0.792 nan 8.210 nan 0.000 0.503 252 A N 8.262 130.967 122.820 -0.192 0.000 2.406 252 A HA 0.569 4.889 4.320 0.001 0.000 0.243 252 A C -2.290 175.255 177.584 -0.065 0.000 1.082 252 A CA -0.628 51.233 52.037 -0.293 0.000 0.786 252 A CB -0.365 18.401 19.000 -0.390 0.000 1.029 252 A HN 0.361 nan 8.150 nan 0.000 0.495 253 P HA 0.272 nan 4.420 nan 0.000 0.281 253 P C 0.116 177.464 177.300 0.081 0.000 1.249 253 P CA -0.232 62.915 63.100 0.079 0.000 0.810 253 P CB 1.104 32.881 31.700 0.130 0.000 1.008 254 E N 0.478 120.730 120.200 0.088 0.000 2.330 254 E HA 0.041 4.391 4.350 0.001 0.000 0.200 254 E C -0.423 175.960 176.600 -0.361 0.000 0.922 254 E CA 0.255 56.604 56.400 -0.085 0.000 0.935 254 E CB 0.223 29.880 29.700 -0.071 0.000 0.917 254 E HN 0.434 nan 8.360 nan 0.000 0.491 255 Y N -0.675 119.568 120.300 -0.095 0.000 2.468 255 Y HA 0.587 5.138 4.550 0.001 0.000 0.342 255 Y C 0.596 176.301 175.900 -0.326 0.000 1.021 255 Y CA -0.711 57.236 58.100 -0.255 0.000 1.079 255 Y CB 2.074 40.310 38.460 -0.373 0.000 1.226 255 Y HN -0.068 nan 8.280 nan 0.000 0.460 256 G N 0.788 109.423 108.800 -0.275 0.000 2.597 256 G HA2 0.641 4.601 3.960 0.001 0.000 0.317 256 G HA3 0.641 4.601 3.960 0.001 0.000 0.317 256 G C -1.930 172.657 174.900 -0.522 0.000 1.230 256 G CA -0.651 44.282 45.100 -0.277 0.000 0.996 256 G HN 0.392 nan 8.290 nan 0.000 0.490 257 F N 0.552 120.389 119.950 -0.188 0.000 2.434 257 F HA 0.390 4.918 4.527 0.001 0.000 0.355 257 F C 0.696 176.233 175.800 -0.439 0.000 1.115 257 F CA -0.744 56.999 58.000 -0.427 0.000 1.010 257 F CB 2.051 40.742 39.000 -0.514 0.000 1.234 257 F HN 0.090 nan 8.300 nan 0.000 0.439 258 K N 3.643 123.853 120.400 -0.317 0.000 2.448 258 K HA 0.267 4.587 4.320 0.001 0.000 0.278 258 K C 0.121 176.512 176.600 -0.350 0.000 1.009 258 K CA 0.155 56.290 56.287 -0.252 0.000 0.995 258 K CB 1.267 33.642 32.500 -0.209 0.000 0.917 258 K HN 0.665 nan 8.250 nan 0.000 0.481 259 I N 0.035 120.525 120.570 -0.133 0.000 5.119 259 I HA 0.163 4.333 4.170 0.001 0.000 0.164 259 I C -0.491 175.629 176.117 0.005 0.000 1.062 259 I CA -0.359 60.942 61.300 0.003 0.000 1.870 259 I CB 1.308 39.369 38.000 0.101 0.000 1.333 259 I HN 0.628 nan 8.210 nan 0.000 0.466 260 S N 1.346 117.070 115.700 0.041 0.000 3.586 260 S HA -0.010 4.461 4.470 0.001 0.000 0.677 260 S C -0.709 173.896 174.600 0.009 0.000 0.442 260 S CA -0.486 57.738 58.200 0.040 0.000 1.246 260 S CB -0.655 62.602 63.200 0.096 0.000 0.664 260 S HN 0.448 nan 8.310 nan 0.000 0.996 261 K N 1.727 122.130 120.400 0.005 0.000 2.318 261 K HA 0.563 4.883 4.320 0.001 0.000 0.243 261 K C 1.321 177.908 176.600 -0.022 0.000 1.047 261 K CA -0.347 55.928 56.287 -0.020 0.000 0.937 261 K CB 0.436 32.932 32.500 -0.006 0.000 1.225 261 K HN 0.713 nan 8.250 nan 0.000 0.506 262 R N -1.658 118.822 120.500 -0.033 0.000 2.289 262 R HA 0.147 4.487 4.340 0.001 0.000 0.176 262 R C 0.091 176.369 176.300 -0.037 0.000 0.625 262 R CA 0.102 56.184 56.100 -0.031 0.000 0.896 262 R CB 0.089 30.364 30.300 -0.041 0.000 1.430 262 R HN 0.686 nan 8.270 nan 0.000 0.473 263 G N -0.017 108.763 108.800 -0.034 0.000 2.650 263 G HA2 0.414 4.374 3.960 0.001 0.000 0.310 263 G HA3 0.414 4.374 3.960 0.001 0.000 0.310 263 G C -1.570 173.323 174.900 -0.012 0.000 1.270 263 G CA -0.041 45.046 45.100 -0.022 0.000 0.810 263 G HN 0.081 nan 8.290 nan 0.000 0.493 264 S N -0.393 115.318 115.700 0.019 0.000 2.381 264 S HA 0.583 5.053 4.470 0.001 0.000 0.193 264 S C 0.103 174.718 174.600 0.026 0.000 1.287 264 S CA 0.322 58.510 58.200 -0.020 0.000 1.199 264 S CB 0.595 63.790 63.200 -0.007 0.000 1.214 264 S HN 0.947 nan 8.310 nan 0.000 0.444 265 S N 3.207 118.917 115.700 0.017 0.000 2.206 265 S HA 0.932 5.402 4.470 0.001 0.000 0.233 265 S C 0.758 175.354 174.600 -0.006 0.000 1.255 265 S CA 0.360 58.598 58.200 0.064 0.000 1.010 265 S CB 0.449 63.716 63.200 0.112 0.000 0.970 265 S HN 1.180 nan 8.310 nan 0.000 0.437 266 G N -0.665 108.144 108.800 0.015 0.000 2.600 266 G HA2 0.580 4.540 3.960 0.001 0.000 0.293 266 G HA3 0.580 4.540 3.960 0.001 0.000 0.293 266 G C -1.885 173.011 174.900 -0.008 0.000 1.408 266 G CA -0.800 44.285 45.100 -0.025 0.000 0.782 266 G HN 0.646 nan 8.290 nan 0.000 0.482 267 I N 1.201 121.740 120.570 -0.053 0.000 2.330 267 I HA 0.357 4.527 4.170 0.001 0.000 0.289 267 I C 0.269 176.352 176.117 -0.055 0.000 1.001 267 I CA -0.392 60.867 61.300 -0.069 0.000 1.193 267 I CB 1.759 39.679 38.000 -0.134 0.000 1.345 267 I HN 0.444 nan 8.210 nan 0.000 0.461 268 M N 7.265 126.859 119.600 -0.009 0.000 2.146 268 M HA 0.290 4.770 4.480 0.001 0.000 0.357 268 M C -0.679 175.586 176.300 -0.059 0.000 1.261 268 M CA -0.095 55.183 55.300 -0.038 0.000 1.106 268 M CB 0.326 32.923 32.600 -0.005 0.000 1.612 268 M HN 0.363 nan 8.290 nan 0.000 0.470 269 K N 4.352 124.707 120.400 -0.075 0.000 2.266 269 K HA 0.290 4.610 4.320 0.001 0.000 0.274 269 K C -0.557 175.996 176.600 -0.079 0.000 1.090 269 K CA -0.190 56.053 56.287 -0.073 0.000 0.925 269 K CB 1.031 33.496 32.500 -0.058 0.000 1.225 269 K HN 0.758 nan 8.250 nan 0.000 0.458 270 T N 0.508 115.016 114.554 -0.077 0.000 2.804 270 T HA 0.256 4.607 4.350 0.001 0.000 0.290 270 T C -0.372 174.288 174.700 -0.066 0.000 1.099 270 T CA -0.523 61.530 62.100 -0.078 0.000 1.011 270 T CB 1.296 70.113 68.868 -0.085 0.000 1.291 270 T HN 0.443 nan 8.240 nan 0.000 0.523 271 E N 0.314 120.479 120.200 -0.059 0.000 2.624 271 E HA 0.263 4.613 4.350 0.001 0.000 0.210 271 E C 0.764 177.334 176.600 -0.050 0.000 0.997 271 E CA -0.259 56.110 56.400 -0.051 0.000 0.999 271 E CB 0.851 30.528 29.700 -0.039 0.000 1.040 271 E HN 0.670 nan 8.360 nan 0.000 0.469 272 G N 1.267 110.035 108.800 -0.054 0.000 2.543 272 G HA2 0.486 4.447 3.960 0.001 0.000 0.267 272 G HA3 0.486 4.447 3.960 0.001 0.000 0.267 272 G C -0.326 174.542 174.900 -0.054 0.000 1.406 272 G CA -0.236 44.836 45.100 -0.047 0.000 1.048 272 G HN 0.062 nan 8.290 nan 0.000 0.548 273 T N -1.284 113.242 114.554 -0.046 0.000 3.548 273 T HA 0.412 4.763 4.350 0.001 0.000 0.329 273 T C -0.106 174.568 174.700 -0.044 0.000 0.960 273 T CA -0.636 61.430 62.100 -0.056 0.000 1.041 273 T CB 0.526 69.363 68.868 -0.053 0.000 1.065 273 T HN 1.018 nan 8.240 nan 0.000 0.459 274 L N 1.498 122.690 121.223 -0.052 0.000 2.536 274 L HA 0.311 4.652 4.340 0.001 0.000 0.294 274 L C 0.596 177.449 176.870 -0.028 0.000 1.257 274 L CA 0.104 54.925 54.840 -0.032 0.000 0.850 274 L CB 0.415 42.445 42.059 -0.049 0.000 1.105 274 L HN 0.888 nan 8.230 nan 0.000 0.517 275 E N 1.356 121.548 120.200 -0.013 0.000 2.876 275 E HA 0.091 4.441 4.350 0.001 0.000 0.208 275 E C -0.506 176.091 176.600 -0.005 0.000 0.981 275 E CA -0.406 55.988 56.400 -0.011 0.000 1.174 275 E CB -0.062 29.633 29.700 -0.007 0.000 1.047 275 E HN 0.841 nan 8.360 nan 0.000 0.477 276 N N 0.883 119.581 118.700 -0.003 0.000 2.483 276 N HA -0.147 4.594 4.740 0.001 0.000 0.280 276 N C -0.604 174.911 175.510 0.008 0.000 1.315 276 N CA 0.794 53.845 53.050 0.002 0.000 0.637 276 N CB -1.526 36.960 38.487 -0.003 0.000 0.893 276 N HN 0.495 nan 8.380 nan 0.000 0.535 277 c N 0.783 119.392 118.600 0.015 0.000 3.805 277 c HA 0.924 5.495 4.570 0.001 0.000 0.111 277 c C 0.435 174.537 174.090 0.019 0.000 2.736 277 c CA 0.191 56.529 56.329 0.015 0.000 1.638 277 c CB 0.364 42.883 42.510 0.015 0.000 3.111 277 c HN 0.855 nan 8.230 nan 0.000 0.434 278 E N -0.826 119.387 120.200 0.021 0.000 2.421 278 E HA 0.524 4.875 4.350 0.001 0.000 0.278 278 E C -1.238 175.372 176.600 0.017 0.000 1.141 278 E CA 0.709 57.123 56.400 0.023 0.000 0.880 278 E CB 1.173 30.883 29.700 0.017 0.000 1.381 278 E HN 1.263 nan 8.360 nan 0.000 0.436 279 T N 0.455 115.019 114.554 0.016 0.000 3.157 279 T HA 0.189 4.540 4.350 0.001 0.000 0.379 279 T C -0.926 173.778 174.700 0.008 0.000 1.810 279 T CA -0.092 62.011 62.100 0.004 0.000 1.071 279 T CB 0.628 69.489 68.868 -0.013 0.000 1.760 279 T HN 0.462 nan 8.240 nan 0.000 0.500 280 K N 0.971 121.375 120.400 0.005 0.000 2.487 280 K HA 0.445 4.766 4.320 0.001 0.000 0.192 280 K C 0.009 176.616 176.600 0.012 0.000 1.027 280 K CA 0.346 56.645 56.287 0.020 0.000 1.054 280 K CB -0.223 32.290 32.500 0.021 0.000 0.824 280 K HN 0.573 nan 8.250 nan 0.000 0.510 281 c N 0.299 118.883 118.600 -0.026 0.000 2.817 281 c HA 0.423 4.993 4.570 0.001 0.000 0.385 281 c C -1.783 172.236 174.090 -0.118 0.000 1.050 281 c CA -0.851 55.435 56.329 -0.072 0.000 1.245 281 c CB 0.544 43.008 42.510 -0.075 0.000 1.706 281 c HN 0.409 nan 8.230 nan 0.000 0.488 282 Q N 2.849 122.537 119.800 -0.186 0.000 2.306 282 Q HA 0.836 5.176 4.340 0.001 0.000 0.265 282 Q C -0.606 175.227 176.000 -0.278 0.000 1.022 282 Q CA 0.084 55.739 55.803 -0.246 0.000 0.853 282 Q CB 2.041 30.555 28.738 -0.373 0.000 1.327 282 Q HN 0.754 nan 8.270 nan 0.000 0.449 283 T N 4.391 118.785 114.554 -0.266 0.000 2.893 283 T HA 0.380 4.731 4.350 0.001 0.000 0.293 283 T C -2.220 172.269 174.700 -0.352 0.000 1.027 283 T CA -1.573 60.351 62.100 -0.294 0.000 0.988 283 T CB 1.581 70.288 68.868 -0.268 0.000 1.043 283 T HN 0.477 nan 8.240 nan 0.000 0.461 284 P HA 0.017 nan 4.420 nan 0.000 0.222 284 P C 0.925 177.996 177.300 -0.383 0.000 1.142 284 P CA 0.979 63.807 63.100 -0.453 0.000 0.788 284 P CB 0.176 31.452 31.700 -0.707 0.000 0.767 285 L N -3.784 117.178 121.223 -0.436 0.000 2.609 285 L HA 0.418 4.759 4.340 0.001 0.000 0.230 285 L C 1.114 177.708 176.870 -0.461 0.000 1.087 285 L CA 0.172 54.756 54.840 -0.427 0.000 0.874 285 L CB 0.003 41.746 42.059 -0.526 0.000 1.114 285 L HN 0.020 nan 8.230 nan 0.000 0.488 286 G N -0.237 108.340 108.800 -0.372 0.000 2.328 286 G HA2 0.438 4.399 3.960 0.001 0.000 0.299 286 G HA3 0.438 4.399 3.960 0.001 0.000 0.299 286 G C -1.757 173.073 174.900 -0.115 0.000 1.435 286 G CA -0.208 44.797 45.100 -0.159 0.000 0.865 286 G HN 0.027 nan 8.290 nan 0.000 0.601 287 A N -0.423 122.380 122.820 -0.028 0.000 2.302 287 A HA 0.822 5.142 4.320 0.001 0.000 0.285 287 A C 0.080 177.656 177.584 -0.012 0.000 1.105 287 A CA -0.435 51.576 52.037 -0.043 0.000 0.816 287 A CB 0.432 19.418 19.000 -0.024 0.000 1.067 287 A HN 0.826 nan 8.150 nan 0.000 0.489 288 I N 1.762 122.302 120.570 -0.051 0.000 2.377 288 I HA 0.231 4.402 4.170 0.001 0.000 0.293 288 I C -0.385 175.718 176.117 -0.024 0.000 0.987 288 I CA -0.555 60.719 61.300 -0.042 0.000 1.185 288 I CB 1.694 39.620 38.000 -0.123 0.000 1.341 288 I HN 0.603 nan 8.210 nan 0.000 0.455 289 N N 4.495 123.193 118.700 -0.004 0.000 2.626 289 N HA 0.430 5.171 4.740 0.001 0.000 0.242 289 N C -0.936 174.578 175.510 0.007 0.000 1.005 289 N CA 0.053 53.103 53.050 0.000 0.000 0.905 289 N CB 1.192 39.681 38.487 0.004 0.000 1.128 289 N HN 0.709 nan 8.380 nan 0.000 0.512 290 T N -0.228 114.330 114.554 0.006 0.000 2.665 290 T HA 0.481 4.831 4.350 0.001 0.000 0.303 290 T C 0.053 174.758 174.700 0.009 0.000 1.334 290 T CA -0.131 61.978 62.100 0.015 0.000 1.011 290 T CB 0.589 69.475 68.868 0.030 0.000 1.573 290 T HN 0.384 nan 8.240 nan 0.000 0.492 291 T N -0.267 114.294 114.554 0.012 0.000 3.130 291 T HA 0.390 4.741 4.350 0.001 0.000 0.288 291 T C 0.384 175.079 174.700 -0.008 0.000 0.936 291 T CA -0.276 61.824 62.100 -0.000 0.000 0.897 291 T CB -0.355 68.514 68.868 0.002 0.000 1.178 291 T HN 0.446 nan 8.240 nan 0.000 0.543 292 L N 1.647 122.877 121.223 0.012 0.000 2.397 292 L HA 0.389 4.729 4.340 0.001 0.000 0.271 292 L C -1.685 175.151 176.870 -0.056 0.000 1.148 292 L CA -2.355 52.495 54.840 0.016 0.000 0.825 292 L CB 0.302 42.405 42.059 0.074 0.000 1.117 292 L HN -0.170 nan 8.230 nan 0.000 0.456 293 P HA -0.086 nan 4.420 nan 0.000 0.229 293 P C -0.661 176.057 177.300 -0.970 0.000 1.150 293 P CA 1.334 64.074 63.100 -0.600 0.000 0.765 293 P CB 0.040 31.290 31.700 -0.751 0.000 0.783 294 F N -1.709 118.244 119.950 0.005 0.000 2.619 294 F HA 0.397 4.924 4.527 0.001 0.000 0.308 294 F C 0.600 176.428 175.800 0.048 0.000 1.097 294 F CA -1.052 56.934 58.000 -0.024 0.000 0.953 294 F CB 1.313 40.276 39.000 -0.061 0.000 1.287 294 F HN -0.140 nan 8.300 nan 0.000 0.446 295 H N 0.101 119.276 119.070 0.176 0.000 2.907 295 H HA 0.535 5.092 4.556 0.001 0.000 0.361 295 H C -1.316 174.041 175.328 0.048 0.000 1.194 295 H CA -0.993 55.131 56.048 0.127 0.000 1.152 295 H CB 2.197 32.045 29.762 0.143 0.000 1.867 295 H HN 0.599 nan 8.280 nan 0.000 0.561 296 N N 0.705 119.511 118.700 0.176 0.000 2.377 296 N HA 0.122 4.862 4.740 0.001 0.000 0.259 296 N C 0.248 175.998 175.510 0.399 0.000 1.332 296 N CA -0.333 52.709 53.050 -0.013 0.000 0.877 296 N CB -0.234 38.198 38.487 -0.091 0.000 1.299 296 N HN 0.616 nan 8.380 nan 0.000 0.501 297 I N -0.409 120.594 120.570 0.721 0.000 2.141 297 I HA -0.037 4.133 4.170 0.001 0.000 0.236 297 I C 0.409 176.816 176.117 0.483 0.000 1.071 297 I CA 1.037 62.644 61.300 0.512 0.000 1.345 297 I CB -0.118 38.082 38.000 0.334 0.000 1.066 297 I HN 0.300 nan 8.210 nan 0.000 0.406 298 H N -0.675 118.599 119.070 0.340 0.000 3.123 298 H HA 0.155 4.712 4.556 0.001 0.000 0.346 298 H C -2.324 172.736 175.328 -0.447 0.000 1.138 298 H CA -1.147 54.863 56.048 -0.062 0.000 1.273 298 H CB 2.520 32.228 29.762 -0.091 0.000 1.926 298 H HN -0.226 nan 8.280 nan 0.000 0.524 299 P HA -0.042 nan 4.420 nan 0.000 0.214 299 P C 0.701 177.830 177.300 -0.285 0.000 1.162 299 P CA 0.953 63.483 63.100 -0.950 0.000 0.879 299 P CB 0.317 31.584 31.700 -0.721 0.000 0.786 300 L N 0.656 121.859 121.223 -0.033 0.000 2.416 300 L HA 0.137 4.477 4.340 0.001 0.000 0.243 300 L C 0.946 177.833 176.870 0.029 0.000 1.373 300 L CA -0.468 54.406 54.840 0.056 0.000 1.227 300 L CB -1.609 40.530 42.059 0.133 0.000 1.428 300 L HN 0.059 nan 8.230 nan 0.000 0.425 301 T N -1.775 112.761 114.554 -0.030 0.000 2.847 301 T HA 0.647 4.997 4.350 0.001 0.000 0.279 301 T C -0.075 174.533 174.700 -0.155 0.000 0.984 301 T CA -0.541 61.503 62.100 -0.093 0.000 0.988 301 T CB 2.069 70.907 68.868 -0.051 0.000 1.040 301 T HN 0.207 nan 8.240 nan 0.000 0.528 302 I N 1.641 122.087 120.570 -0.207 0.000 2.503 302 I HA 0.596 4.766 4.170 0.001 0.000 0.282 302 I C 0.627 176.642 176.117 -0.169 0.000 1.059 302 I CA -0.262 60.906 61.300 -0.219 0.000 1.081 302 I CB 1.051 38.870 38.000 -0.301 0.000 1.210 302 I HN 1.200 nan 8.210 nan 0.000 0.450 303 G N 5.622 114.334 108.800 -0.147 0.000 2.292 303 G HA2 0.012 3.972 3.960 0.001 0.000 0.194 303 G HA3 0.012 3.972 3.960 0.001 0.000 0.194 303 G C -1.440 173.436 174.900 -0.040 0.000 1.329 303 G CA -0.779 44.344 45.100 0.038 0.000 1.100 303 G HN 0.450 nan 8.290 nan 0.000 0.470 304 E N 0.055 120.316 120.200 0.102 0.000 2.073 304 E HA 0.510 4.861 4.350 0.001 0.000 0.269 304 E C -1.036 175.559 176.600 -0.009 0.000 0.917 304 E CA -0.363 56.075 56.400 0.064 0.000 0.757 304 E CB 1.426 31.224 29.700 0.163 0.000 1.111 304 E HN 0.493 nan 8.360 nan 0.000 0.410 305 c N 3.793 122.364 118.600 -0.048 0.000 2.379 305 c HA 0.353 4.923 4.570 0.001 0.000 0.323 305 c C -2.164 171.942 174.090 0.027 0.000 1.262 305 c CA -1.887 54.448 56.329 0.009 0.000 1.581 305 c CB 0.741 43.281 42.510 0.050 0.000 2.221 305 c HN 0.588 nan 8.230 nan 0.000 0.497 306 P HA -0.022 nan 4.420 nan 0.000 0.253 306 P C -0.155 177.135 177.300 -0.016 0.000 1.170 306 P CA 0.276 63.390 63.100 0.022 0.000 0.806 306 P CB 0.163 31.952 31.700 0.149 0.000 0.775 307 K N 4.373 124.659 120.400 -0.190 0.000 2.149 307 K HA -0.207 4.114 4.320 0.001 0.000 0.244 307 K C -0.503 176.086 176.600 -0.018 0.000 1.369 307 K CA 0.365 56.562 56.287 -0.151 0.000 1.368 307 K CB -1.647 30.680 32.500 -0.288 0.000 0.757 307 K HN 0.362 nan 8.250 nan 0.000 0.494 308 Y N 4.263 124.412 120.300 -0.252 0.000 2.865 308 Y HA 0.088 4.639 4.550 0.001 0.000 0.338 308 Y C -0.040 175.781 175.900 -0.131 0.000 1.269 308 Y CA 0.092 57.893 58.100 -0.499 0.000 1.585 308 Y CB 0.253 38.431 38.460 -0.470 0.000 1.224 308 Y HN 0.274 nan 8.280 nan 0.000 0.554 309 V N 3.993 123.526 119.914 -0.634 0.000 3.019 309 V HA 0.441 4.562 4.120 0.001 0.000 0.317 309 V C 0.169 175.842 176.094 -0.702 0.000 1.094 309 V CA -1.416 60.614 62.300 -0.450 0.000 1.000 309 V CB 1.965 33.655 31.823 -0.222 0.000 1.060 309 V HN 0.748 nan 8.190 nan 0.000 0.443 310 K N 1.113 121.295 120.400 -0.363 0.000 2.708 310 K HA 0.291 4.612 4.320 0.001 0.000 0.219 310 K C 0.247 176.752 176.600 -0.158 0.000 1.068 310 K CA 0.103 56.244 56.287 -0.243 0.000 1.212 310 K CB -0.116 32.345 32.500 -0.066 0.000 0.978 310 K HN 0.983 nan 8.250 nan 0.000 0.475 311 S N -1.169 114.416 115.700 -0.191 0.000 2.532 311 S HA 0.243 4.714 4.470 0.001 0.000 0.301 311 S C 0.540 175.082 174.600 -0.096 0.000 1.083 311 S CA -0.919 57.203 58.200 -0.130 0.000 1.025 311 S CB 1.932 65.040 63.200 -0.153 0.000 1.056 311 S HN 0.152 nan 8.310 nan 0.000 0.494 312 E N 0.869 121.031 120.200 -0.063 0.000 2.216 312 E HA 0.036 4.387 4.350 0.001 0.000 0.192 312 E C 0.647 177.228 176.600 -0.033 0.000 0.988 312 E CA 0.636 57.015 56.400 -0.036 0.000 0.834 312 E CB 0.216 29.902 29.700 -0.024 0.000 0.772 312 E HN 0.721 nan 8.360 nan 0.000 0.479 313 R N -1.186 119.284 120.500 -0.051 0.000 2.664 313 R HA 0.390 4.730 4.340 0.001 0.000 0.266 313 R C -1.730 174.529 176.300 -0.069 0.000 1.046 313 R CA -0.717 55.358 56.100 -0.043 0.000 0.885 313 R CB 0.450 30.734 30.300 -0.027 0.000 1.254 313 R HN -0.053 nan 8.270 nan 0.000 0.465 314 L N 2.858 124.047 121.223 -0.057 0.000 2.518 314 L HA 0.451 4.792 4.340 0.001 0.000 0.262 314 L C -0.769 176.087 176.870 -0.022 0.000 0.982 314 L CA -1.073 53.723 54.840 -0.073 0.000 0.873 314 L CB 2.069 44.051 42.059 -0.127 0.000 1.198 314 L HN 0.571 nan 8.230 nan 0.000 0.427 315 V N 1.209 121.111 119.914 -0.020 0.000 2.409 315 V HA 0.555 4.675 4.120 0.001 0.000 0.291 315 V C -0.167 175.930 176.094 0.004 0.000 1.020 315 V CA -0.699 61.602 62.300 0.003 0.000 0.848 315 V CB 1.901 33.725 31.823 0.002 0.000 0.990 315 V HN 0.533 nan 8.190 nan 0.000 0.430 316 L N 4.532 125.770 121.223 0.024 0.000 2.305 316 L HA 0.684 5.025 4.340 0.001 0.000 0.281 316 L C 1.017 177.910 176.870 0.038 0.000 1.085 316 L CA -0.283 54.575 54.840 0.029 0.000 0.813 316 L CB 1.479 43.565 42.059 0.046 0.000 1.157 316 L HN 0.941 nan 8.230 nan 0.000 0.436 317 A N 2.182 125.019 122.820 0.029 0.000 2.454 317 A HA 0.384 4.705 4.320 0.001 0.000 0.260 317 A C 0.930 178.556 177.584 0.070 0.000 1.106 317 A CA 0.092 52.150 52.037 0.034 0.000 0.780 317 A CB 0.253 19.262 19.000 0.015 0.000 1.044 317 A HN 0.893 nan 8.150 nan 0.000 0.498 318 T N 0.770 115.384 114.554 0.100 0.000 3.056 318 T HA 0.362 4.713 4.350 0.001 0.000 0.243 318 T C 1.137 175.913 174.700 0.128 0.000 0.995 318 T CA 0.625 62.820 62.100 0.159 0.000 1.091 318 T CB -0.383 68.613 68.868 0.212 0.000 0.990 318 T HN 0.895 nan 8.240 nan 0.000 0.464 319 G N 1.986 110.817 108.800 0.052 0.000 2.543 319 G HA2 0.665 4.626 3.960 0.001 0.000 0.267 319 G HA3 0.665 4.626 3.960 0.001 0.000 0.267 319 G C -0.408 174.110 174.900 -0.637 0.000 1.406 319 G CA -0.906 44.045 45.100 -0.249 0.000 1.048 319 G HN 0.720 nan 8.290 nan 0.000 0.548 320 L N -2.556 118.095 121.223 -0.953 0.000 2.331 320 L HA 0.798 5.138 4.340 0.001 0.000 0.268 320 L C 0.532 177.118 176.870 -0.473 0.000 1.015 320 L CA -1.323 52.952 54.840 -0.942 0.000 0.807 320 L CB 1.375 42.724 42.059 -1.183 0.000 1.293 320 L HN 0.494 nan 8.230 nan 0.000 0.451 321 R N 1.464 121.742 120.500 -0.369 0.000 2.538 321 R HA -0.012 4.329 4.340 0.001 0.000 0.282 321 R C -0.336 175.800 176.300 -0.274 0.000 1.009 321 R CA 0.142 56.082 56.100 -0.266 0.000 1.063 321 R CB 0.137 30.308 30.300 -0.215 0.000 0.945 321 R HN 0.813 nan 8.270 nan 0.000 0.414 322 N N 4.509 123.081 118.700 -0.214 0.000 2.602 322 N HA 0.110 4.850 4.740 0.001 0.000 0.238 322 N C -1.289 174.143 175.510 -0.130 0.000 1.084 322 N CA -0.589 52.346 53.050 -0.192 0.000 0.952 322 N CB 0.828 39.195 38.487 -0.199 0.000 1.244 322 N HN 0.375 nan 8.380 nan 0.000 0.512 323 V N 2.627 122.488 119.914 -0.090 0.000 2.383 323 V HA 0.587 4.707 4.120 0.001 0.000 0.275 323 V C -1.884 174.191 176.094 -0.032 0.000 1.036 323 V CA -1.825 60.448 62.300 -0.045 0.000 0.889 323 V CB 0.662 32.480 31.823 -0.008 0.000 0.985 323 V HN 0.443 nan 8.190 nan 0.000 0.459 324 P HA 0.152 nan 4.420 nan 0.000 0.300 324 P C 0.049 177.337 177.300 -0.020 0.000 1.294 324 P CA -0.140 62.939 63.100 -0.035 0.000 0.757 324 P CB 0.139 31.820 31.700 -0.032 0.000 1.377 331 L N -0.501 120.703 121.223 -0.033 0.000 2.351 331 L HA 0.035 4.375 4.340 0.001 0.000 0.220 331 L C 1.410 178.018 176.870 -0.437 0.000 1.127 331 L CA 1.531 56.234 54.840 -0.227 0.000 0.786 331 L CB -0.291 41.591 42.059 -0.295 0.000 0.914 331 L HN 0.367 nan 8.230 nan 0.000 0.443 332 F N -1.894 118.050 119.950 -0.011 0.000 2.772 332 F HA 0.292 4.819 4.527 0.001 0.000 0.316 332 F C 1.515 177.342 175.800 0.046 0.000 1.114 332 F CA 0.430 58.435 58.000 0.008 0.000 1.191 332 F CB 0.643 39.638 39.000 -0.007 0.000 1.065 332 F HN 0.019 nan 8.300 nan 0.000 0.534 333 G N 0.636 109.531 108.800 0.158 0.000 2.302 333 G HA2 -0.405 3.555 3.960 0.001 0.000 0.263 333 G HA3 -0.405 3.555 3.960 0.001 0.000 0.263 333 G C 1.301 176.348 174.900 0.245 0.000 0.995 333 G CA 0.743 45.962 45.100 0.199 0.000 0.622 333 G HN 0.573 nan 8.290 nan 0.000 0.538 334 A N 0.443 123.321 122.820 0.097 0.000 1.865 334 A HA 0.626 4.946 4.320 0.001 0.000 0.216 334 A C 1.317 178.701 177.584 -0.334 0.000 1.315 334 A CA 0.884 52.736 52.037 -0.309 0.000 0.605 334 A CB -0.283 18.594 19.000 -0.205 0.000 0.984 334 A HN 0.836 nan 8.150 nan 0.000 0.470 335 I N 0.006 120.417 120.570 -0.264 0.000 2.752 335 I HA 0.151 4.322 4.170 0.001 0.000 0.289 335 I C 1.356 177.353 176.117 -0.199 0.000 1.197 335 I CA 0.724 61.810 61.300 -0.356 0.000 1.432 335 I CB 0.292 37.971 38.000 -0.534 0.000 1.359 335 I HN 0.692 nan 8.210 nan 0.000 0.571 336 A N 4.145 126.893 122.820 -0.120 0.000 2.798 336 A HA -0.175 4.145 4.320 0.001 0.000 0.282 336 A C 0.887 178.430 177.584 -0.068 0.000 1.464 336 A CA 1.183 53.173 52.037 -0.077 0.000 0.844 336 A CB -2.135 16.808 19.000 -0.094 0.000 1.006 336 A HN 1.082 nan 8.150 nan 0.000 0.577 337 G N -1.289 107.453 108.800 -0.096 0.000 3.387 337 G HA2 0.506 4.466 3.960 0.001 0.000 0.194 337 G HA3 0.506 4.466 3.960 0.001 0.000 0.194 337 G C 0.647 175.526 174.900 -0.035 0.000 1.417 337 G CA 0.128 45.202 45.100 -0.045 0.000 0.777 337 G HN 1.150 nan 8.290 nan 0.000 0.721 338 F N 0.390 120.293 119.950 -0.078 0.000 2.641 338 F HA 0.413 4.940 4.527 0.001 0.000 0.298 338 F C 0.633 176.369 175.800 -0.106 0.000 1.146 338 F CA -0.050 57.887 58.000 -0.105 0.000 1.464 338 F CB -0.177 38.728 39.000 -0.158 0.000 1.101 338 F HN -0.157 nan 8.300 nan 0.000 0.585 339 I N 1.832 122.034 120.570 -0.614 0.000 2.361 339 I HA 0.125 4.295 4.170 0.001 0.000 0.282 339 I C 1.094 177.108 176.117 -0.171 0.000 1.075 339 I CA -0.330 60.737 61.300 -0.389 0.000 1.205 339 I CB 1.062 38.777 38.000 -0.475 0.000 1.406 339 I HN 0.063 nan 8.210 nan 0.000 0.481 340 E N 4.309 124.450 120.200 -0.098 0.000 2.147 340 E HA -0.137 4.213 4.350 0.001 0.000 0.199 340 E C 0.917 177.495 176.600 -0.035 0.000 1.005 340 E CA 1.621 57.993 56.400 -0.047 0.000 0.810 340 E CB 0.276 29.963 29.700 -0.022 0.000 0.736 340 E HN 0.868 nan 8.360 nan 0.000 0.460 341 G N -2.843 105.915 108.800 -0.069 0.000 2.561 341 G HA2 0.527 4.487 3.960 0.001 0.000 0.310 341 G HA3 0.527 4.487 3.960 0.001 0.000 0.310 341 G C -0.425 174.300 174.900 -0.292 0.000 1.292 341 G CA -0.515 44.552 45.100 -0.055 0.000 0.811 341 G HN 0.270 nan 8.290 nan 0.000 0.482 342 G N -1.775 106.893 108.800 -0.221 0.000 2.613 342 G HA2 0.577 4.537 3.960 0.001 0.000 0.303 342 G HA3 0.577 4.537 3.960 0.001 0.000 0.303 342 G C -1.233 173.486 174.900 -0.302 0.000 1.312 342 G CA -0.666 44.118 45.100 -0.526 0.000 1.036 342 G HN 0.428 nan 8.290 nan 0.000 0.513 343 W N -0.461 120.684 121.300 -0.257 0.000 2.587 343 W HA 0.447 5.108 4.660 0.001 0.000 0.324 343 W C 0.321 176.715 176.519 -0.209 0.000 1.040 343 W CA -1.027 56.150 57.345 -0.281 0.000 1.222 343 W CB 1.346 30.520 29.460 -0.477 0.000 1.381 343 W HN 0.503 nan 8.180 nan 0.000 0.483 344 Q N 1.133 120.952 119.800 0.031 0.000 2.239 344 Q HA 0.132 4.472 4.340 0.001 0.000 0.219 344 Q C 1.499 177.472 176.000 -0.045 0.000 0.901 344 Q CA 0.056 55.878 55.803 0.033 0.000 0.949 344 Q CB 0.357 29.111 28.738 0.027 0.000 1.038 344 Q HN 0.753 nan 8.270 nan 0.000 0.458 345 G N -0.064 108.563 108.800 -0.289 0.000 2.724 345 G HA2 -0.002 3.959 3.960 0.001 0.000 0.205 345 G HA3 -0.002 3.959 3.960 0.001 0.000 0.205 345 G C 0.869 175.590 174.900 -0.299 0.000 1.112 345 G CA -0.265 44.499 45.100 -0.559 0.000 0.793 345 G HN 0.203 nan 8.290 nan 0.000 0.526 346 M N 3.425 122.935 119.600 -0.151 0.000 3.698 346 M HA 0.058 4.539 4.480 0.001 0.000 0.183 346 M C 1.330 177.659 176.300 0.050 0.000 1.633 346 M CA 0.219 55.585 55.300 0.110 0.000 1.740 346 M CB -0.060 32.690 32.600 0.251 0.000 1.191 346 M HN 0.167 nan 8.290 nan 0.000 0.535 347 V N -1.198 118.713 119.914 -0.005 0.000 3.563 347 V HA 0.036 4.156 4.120 0.001 0.000 0.299 347 V C 0.536 176.552 176.094 -0.131 0.000 1.290 347 V CA 0.320 62.558 62.300 -0.103 0.000 1.201 347 V CB -1.020 30.790 31.823 -0.023 0.000 1.045 347 V HN 0.606 nan 8.190 nan 0.000 0.425 348 D N -0.444 119.904 120.400 -0.088 0.000 2.837 348 D HA 0.508 5.148 4.640 0.001 0.000 0.340 348 D C 0.430 176.663 176.300 -0.112 0.000 1.451 348 D CA 0.417 54.365 54.000 -0.087 0.000 0.798 348 D CB 0.788 41.580 40.800 -0.013 0.000 1.169 348 D HN 0.630 nan 8.370 nan 0.000 0.449 349 G N -0.635 108.054 108.800 -0.185 0.000 2.350 349 G HA2 0.033 3.994 3.960 0.001 0.000 0.305 349 G HA3 0.033 3.994 3.960 0.001 0.000 0.305 349 G C -0.531 174.269 174.900 -0.167 0.000 1.479 349 G CA -0.873 44.086 45.100 -0.236 0.000 0.949 349 G HN -0.074 nan 8.290 nan 0.000 0.651 350 W N -0.118 121.004 121.300 -0.298 0.000 2.408 350 W HA 0.169 4.830 4.660 0.001 0.000 0.311 350 W C 0.615 177.004 176.519 -0.217 0.000 1.190 350 W CA 1.157 58.295 57.345 -0.345 0.000 1.321 350 W CB -0.499 28.542 29.460 -0.697 0.000 1.143 350 W HN 0.439 nan 8.180 nan 0.000 0.501 351 Y N -0.147 120.304 120.300 0.251 0.000 2.341 351 Y HA 0.687 5.238 4.550 0.001 0.000 0.337 351 Y C 0.740 176.630 175.900 -0.016 0.000 1.014 351 Y CA -1.392 56.764 58.100 0.094 0.000 1.111 351 Y CB 0.709 39.199 38.460 0.049 0.000 1.194 351 Y HN -0.106 nan 8.280 nan 0.000 0.462 352 G N 0.811 109.654 108.800 0.072 0.000 2.706 352 G HA2 0.552 4.512 3.960 0.001 0.000 0.307 352 G HA3 0.552 4.512 3.960 0.001 0.000 0.307 352 G C -2.100 172.769 174.900 -0.053 0.000 1.307 352 G CA -0.881 44.192 45.100 -0.044 0.000 0.790 352 G HN 0.366 nan 8.290 nan 0.000 0.503 353 Y N -0.725 119.846 120.300 0.451 0.000 2.568 353 Y HA 0.693 5.243 4.550 0.001 0.000 0.327 353 Y C 0.251 176.441 175.900 0.484 0.000 1.163 353 Y CA -0.784 57.588 58.100 0.455 0.000 1.219 353 Y CB 1.856 40.447 38.460 0.219 0.000 1.308 353 Y HN 0.546 nan 8.280 nan 0.000 0.503 354 H N 1.425 120.710 119.070 0.358 0.000 2.852 354 H HA 0.204 4.760 4.556 0.001 0.000 0.274 354 H C -1.166 174.200 175.328 0.064 0.000 1.321 354 H CA -0.544 55.484 56.048 -0.033 0.000 1.582 354 H CB 0.161 29.537 29.762 -0.645 0.000 1.699 354 H HN 1.064 nan 8.280 nan 0.000 0.546 355 H N 1.586 120.444 119.070 -0.353 0.000 2.607 355 H HA 0.540 5.097 4.556 0.001 0.000 0.367 355 H C -0.768 174.272 175.328 -0.481 0.000 1.181 355 H CA -0.744 55.127 56.048 -0.295 0.000 1.402 355 H CB 1.059 30.723 29.762 -0.164 0.000 1.474 355 H HN 0.239 nan 8.280 nan 0.000 0.596 356 S N 1.894 117.444 115.700 -0.249 0.000 2.539 356 S HA 0.164 4.635 4.470 0.001 0.000 0.235 356 S C -0.438 174.034 174.600 -0.212 0.000 1.326 356 S CA -0.887 57.143 58.200 -0.284 0.000 1.183 356 S CB 0.315 63.433 63.200 -0.136 0.000 1.073 356 S HN 0.765 nan 8.310 nan 0.000 0.480 357 N N 1.131 119.650 118.700 -0.302 0.000 2.531 357 N HA 0.220 4.960 4.740 0.001 0.000 0.301 357 N C -0.089 175.329 175.510 -0.153 0.000 1.310 357 N CA -0.619 52.304 53.050 -0.213 0.000 0.949 357 N CB 0.628 38.976 38.487 -0.231 0.000 1.111 357 N HN 0.319 nan 8.380 nan 0.000 0.565 358 D N -0.035 120.296 120.400 -0.115 0.000 2.328 358 D HA 0.061 4.701 4.640 0.001 0.000 0.226 358 D C -0.761 175.486 176.300 -0.087 0.000 1.066 358 D CA 0.632 54.584 54.000 -0.080 0.000 0.861 358 D CB 0.214 40.983 40.800 -0.051 0.000 0.912 358 D HN 0.352 nan 8.370 nan 0.000 0.521 359 Q N -0.756 118.969 119.800 -0.126 0.000 2.695 359 Q HA 0.489 4.830 4.340 0.001 0.000 0.246 359 Q C 0.818 176.698 176.000 -0.201 0.000 0.961 359 Q CA -0.538 55.188 55.803 -0.127 0.000 0.708 359 Q CB 1.586 30.265 28.738 -0.100 0.000 1.282 359 Q HN 0.004 nan 8.270 nan 0.000 0.482 360 G N 2.284 110.977 108.800 -0.178 0.000 2.616 360 G HA2 -0.331 3.630 3.960 0.001 0.000 0.361 360 G HA3 -0.331 3.630 3.960 0.001 0.000 0.361 360 G C -0.160 174.528 174.900 -0.353 0.000 1.361 360 G CA 0.144 45.118 45.100 -0.210 0.000 0.969 360 G HN 1.069 nan 8.290 nan 0.000 0.528 361 S N -2.747 112.756 115.700 -0.328 0.000 3.345 361 S HA 0.501 4.971 4.470 0.001 0.000 0.804 361 S C 0.314 174.660 174.600 -0.425 0.000 1.022 361 S CA 0.920 58.866 58.200 -0.424 0.000 1.189 361 S CB -1.122 61.546 63.200 -0.888 0.000 0.797 361 S HN 3.116 nan 8.310 nan 0.000 0.296 362 G N 1.074 109.588 108.800 -0.476 0.000 2.621 362 G HA2 0.365 4.325 3.960 0.001 0.000 0.355 362 G HA3 0.365 4.325 3.960 0.001 0.000 0.355 362 G C -1.566 173.173 174.900 -0.269 0.000 1.509 362 G CA -0.944 43.988 45.100 -0.280 0.000 1.000 362 G HN 0.854 nan 8.290 nan 0.000 0.646 363 Y N 0.388 120.781 120.300 0.154 0.000 2.387 363 Y HA 0.797 5.348 4.550 0.001 0.000 0.336 363 Y C 0.649 176.652 175.900 0.172 0.000 1.067 363 Y CA -0.071 58.137 58.100 0.180 0.000 1.114 363 Y CB 2.498 41.060 38.460 0.169 0.000 1.208 363 Y HN 1.134 nan 8.280 nan 0.000 0.458 364 A N 1.461 124.505 122.820 0.373 0.000 2.437 364 A HA 0.810 5.130 4.320 0.001 0.000 0.293 364 A C -0.925 176.829 177.584 0.284 0.000 1.038 364 A CA -0.644 51.552 52.037 0.266 0.000 0.708 364 A CB 0.567 19.675 19.000 0.181 0.000 1.251 364 A HN 0.911 nan 8.150 nan 0.000 0.409 365 A N 1.324 124.257 122.820 0.189 0.000 2.386 365 A HA 0.496 4.817 4.320 0.001 0.000 0.248 365 A C 0.094 177.759 177.584 0.136 0.000 1.082 365 A CA -0.020 52.095 52.037 0.130 0.000 0.789 365 A CB 0.099 19.129 19.000 0.050 0.000 1.025 365 A HN 0.800 nan 8.150 nan 0.000 0.490 366 D N 1.084 121.531 120.400 0.078 0.000 2.551 366 D HA 0.092 4.733 4.640 0.001 0.000 0.223 366 D C 0.788 177.141 176.300 0.088 0.000 1.144 366 D CA 0.069 54.147 54.000 0.130 0.000 1.025 366 D CB 0.122 40.971 40.800 0.082 0.000 1.085 366 D HN 0.363 nan 8.370 nan 0.000 0.506 367 K N 1.464 121.904 120.400 0.067 0.000 2.640 367 K HA -0.155 4.166 4.320 0.001 0.000 0.193 367 K C 1.051 177.660 176.600 0.015 0.000 1.036 367 K CA 0.499 56.792 56.287 0.011 0.000 0.962 367 K CB 0.253 32.755 32.500 0.003 0.000 0.791 367 K HN 0.570 nan 8.250 nan 0.000 0.491 368 E N -1.287 118.947 120.200 0.057 0.000 2.364 368 E HA 0.026 4.377 4.350 0.001 0.000 0.203 368 E C 1.638 178.287 176.600 0.082 0.000 0.888 368 E CA 0.066 56.502 56.400 0.061 0.000 0.989 368 E CB 0.337 30.082 29.700 0.074 0.000 0.985 368 E HN -0.001 nan 8.360 nan 0.000 0.499 369 S N -0.854 114.918 115.700 0.120 0.000 2.421 369 S HA -0.033 4.438 4.470 0.001 0.000 0.224 369 S C 1.806 176.538 174.600 0.220 0.000 1.035 369 S CA 1.208 59.516 58.200 0.179 0.000 0.953 369 S CB -0.163 63.171 63.200 0.223 0.000 0.810 369 S HN 0.268 nan 8.310 nan 0.000 0.497 370 T N 1.965 116.580 114.554 0.102 0.000 2.635 370 T HA -0.182 4.169 4.350 0.001 0.000 0.267 370 T C 1.881 176.556 174.700 -0.041 0.000 1.040 370 T CA 1.984 64.027 62.100 -0.095 0.000 1.156 370 T CB -0.503 68.226 68.868 -0.231 0.000 0.863 370 T HN 0.330 nan 8.240 nan 0.000 0.430 371 Q N 1.236 121.018 119.800 -0.030 0.000 2.112 371 Q HA -0.099 4.242 4.340 0.001 0.000 0.206 371 Q C 2.099 178.132 176.000 0.055 0.000 0.987 371 Q CA 1.853 57.644 55.803 -0.020 0.000 0.858 371 Q CB -0.325 28.407 28.738 -0.010 0.000 0.905 371 Q HN 0.567 nan 8.270 nan 0.000 0.420 372 K N -1.177 119.287 120.400 0.107 0.000 2.103 372 K HA -0.013 4.307 4.320 0.001 0.000 0.204 372 K C 1.838 178.582 176.600 0.241 0.000 1.052 372 K CA 1.023 57.399 56.287 0.148 0.000 0.945 372 K CB -0.227 32.355 32.500 0.138 0.000 0.722 372 K HN 0.196 nan 8.250 nan 0.000 0.443 373 A N 0.662 123.663 122.820 0.301 0.000 1.930 373 A HA -0.061 4.260 4.320 0.001 0.000 0.217 373 A C 2.550 180.456 177.584 0.536 0.000 1.175 373 A CA 1.725 54.037 52.037 0.458 0.000 0.627 373 A CB -1.306 17.987 19.000 0.488 0.000 0.815 373 A HN 0.394 nan 8.150 nan 0.000 0.443 374 F N 0.460 120.632 119.950 0.370 0.000 2.026 374 F HA -0.259 4.268 4.527 0.001 0.000 0.296 374 F C 2.195 178.108 175.800 0.188 0.000 1.133 374 F CA 2.287 60.418 58.000 0.219 0.000 1.188 374 F CB -1.493 37.460 39.000 -0.078 0.000 0.968 374 F HN 0.373 nan 8.300 nan 0.000 0.476 375 D N 0.057 120.535 120.400 0.130 0.000 2.157 375 D HA -0.142 4.499 4.640 0.001 0.000 0.191 375 D C 2.431 178.797 176.300 0.111 0.000 1.004 375 D CA 1.833 55.892 54.000 0.099 0.000 0.854 375 D CB -1.301 39.549 40.800 0.084 0.000 0.936 375 D HN 0.471 nan 8.370 nan 0.000 0.446 376 G N 0.751 109.648 108.800 0.162 0.000 2.552 376 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 376 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 376 G C 1.719 176.651 174.900 0.053 0.000 1.240 376 G CA 0.699 45.856 45.100 0.095 0.000 0.796 376 G HN 0.211 nan 8.290 nan 0.000 0.568 377 I N 1.128 121.792 120.570 0.157 0.000 2.236 377 I HA -0.206 3.965 4.170 0.001 0.000 0.249 377 I C 3.025 179.198 176.117 0.094 0.000 1.102 377 I CA 1.768 63.141 61.300 0.121 0.000 1.365 377 I CB -0.610 37.539 38.000 0.248 0.000 1.051 377 I HN 0.136 nan 8.210 nan 0.000 0.420 378 T N 0.613 115.235 114.554 0.113 0.000 2.624 378 T HA -0.244 4.107 4.350 0.001 0.000 0.268 378 T C 1.663 176.389 174.700 0.044 0.000 1.041 378 T CA 2.143 64.290 62.100 0.078 0.000 1.159 378 T CB -0.409 68.500 68.868 0.068 0.000 0.863 378 T HN 0.378 nan 8.240 nan 0.000 0.434 379 N N 0.766 119.482 118.700 0.026 0.000 2.084 379 N HA -0.052 4.689 4.740 0.001 0.000 0.190 379 N C 1.673 177.184 175.510 0.002 0.000 1.030 379 N CA 1.045 54.100 53.050 0.009 0.000 0.849 379 N CB -0.332 38.152 38.487 -0.005 0.000 1.012 379 N HN 0.431 nan 8.380 nan 0.000 0.423 380 K N 0.729 121.120 120.400 -0.016 0.000 2.077 380 K HA -0.181 4.140 4.320 0.001 0.000 0.213 380 K C 1.725 178.331 176.600 0.010 0.000 1.051 380 K CA 1.274 57.547 56.287 -0.023 0.000 0.929 380 K CB -0.338 32.133 32.500 -0.049 0.000 0.715 380 K HN -0.009 nan 8.250 nan 0.000 0.451 381 V N 1.604 121.535 119.914 0.029 0.000 2.244 381 V HA -0.257 3.863 4.120 0.001 0.000 0.244 381 V C 1.874 177.990 176.094 0.036 0.000 1.042 381 V CA 2.101 64.426 62.300 0.043 0.000 1.006 381 V CB -0.598 31.259 31.823 0.057 0.000 0.641 381 V HN 0.469 nan 8.190 nan 0.000 0.446 382 N N 1.014 119.731 118.700 0.029 0.000 2.091 382 N HA -0.160 4.581 4.740 0.001 0.000 0.193 382 N C 1.839 177.360 175.510 0.018 0.000 1.021 382 N CA 1.994 55.057 53.050 0.021 0.000 0.862 382 N CB -0.564 37.934 38.487 0.017 0.000 1.018 382 N HN 0.647 nan 8.380 nan 0.000 0.429 383 S N -0.966 114.745 115.700 0.018 0.000 2.593 383 S HA 0.136 4.607 4.470 0.001 0.000 0.217 383 S C 1.169 175.788 174.600 0.032 0.000 0.966 383 S CA -0.176 58.035 58.200 0.019 0.000 0.914 383 S CB 0.132 63.341 63.200 0.014 0.000 0.776 383 S HN 0.013 nan 8.310 nan 0.000 0.523 384 V N 0.997 120.935 119.914 0.041 0.000 3.376 384 V HA 0.458 4.578 4.120 0.001 0.000 0.313 384 V C 0.863 177.001 176.094 0.074 0.000 1.393 384 V CA 0.262 62.603 62.300 0.070 0.000 1.125 384 V CB -0.469 31.396 31.823 0.070 0.000 1.037 384 V HN 0.591 nan 8.190 nan 0.000 0.440 385 I N -1.581 119.007 120.570 0.030 0.000 5.157 385 I HA 0.119 4.289 4.170 0.001 0.000 0.350 385 I C 1.685 177.779 176.117 -0.037 0.000 1.233 385 I CA 0.344 61.639 61.300 -0.009 0.000 1.476 385 I CB 0.893 38.898 38.000 0.008 0.000 1.619 385 I HN 0.183 nan 8.210 nan 0.000 0.557 386 E N 1.498 121.689 120.200 -0.016 0.000 2.250 386 E HA -0.036 4.315 4.350 0.001 0.000 0.192 386 E C 1.435 178.021 176.600 -0.023 0.000 0.986 386 E CA 0.599 56.986 56.400 -0.021 0.000 0.849 386 E CB 0.306 30.003 29.700 -0.005 0.000 0.797 386 E HN 0.181 nan 8.360 nan 0.000 0.482 387 K N 0.194 120.591 120.400 -0.005 0.000 2.417 387 K HA 0.128 4.448 4.320 0.001 0.000 0.196 387 K C -0.038 176.562 176.600 -0.001 0.000 1.023 387 K CA -0.206 56.089 56.287 0.014 0.000 1.122 387 K CB 0.306 32.836 32.500 0.051 0.000 0.850 387 K HN -0.031 nan 8.250 nan 0.000 0.521 388 M N 1.834 121.388 119.600 -0.078 0.000 2.383 388 M HA 0.068 4.549 4.480 0.001 0.000 0.337 388 M C -0.633 175.524 176.300 -0.239 0.000 1.422 388 M CA -0.567 54.621 55.300 -0.188 0.000 1.333 388 M CB -0.509 31.867 32.600 -0.374 0.000 1.488 388 M HN 0.005 nan 8.290 nan 0.000 0.454 389 N N 1.337 119.885 118.700 -0.253 0.000 2.219 389 N HA -0.054 4.687 4.740 0.001 0.000 0.263 389 N C -0.576 174.788 175.510 -0.244 0.000 1.269 389 N CA 0.924 53.842 53.050 -0.220 0.000 0.831 389 N CB 0.427 38.773 38.487 -0.235 0.000 1.059 389 N HN 0.610 nan 8.380 nan 0.000 0.475 390 T N 2.575 117.040 114.554 -0.149 0.000 3.008 390 T HA 0.257 4.607 4.350 0.001 0.000 0.328 390 T C -1.537 173.125 174.700 -0.064 0.000 1.020 390 T CA -0.729 61.298 62.100 -0.122 0.000 1.043 390 T CB 0.176 68.985 68.868 -0.098 0.000 1.010 390 T HN 0.582 nan 8.240 nan 0.000 0.466 391 Q N 3.866 123.628 119.800 -0.064 0.000 2.345 391 Q HA 0.554 4.895 4.340 0.001 0.000 0.275 391 Q C -1.423 174.589 176.000 0.019 0.000 1.063 391 Q CA -1.098 54.705 55.803 -0.001 0.000 0.819 391 Q CB 1.802 30.537 28.738 -0.005 0.000 1.356 391 Q HN 0.533 nan 8.270 nan 0.000 0.418 392 F N 1.615 121.535 119.950 -0.049 0.000 2.443 392 F HA 0.535 5.062 4.527 0.001 0.000 0.353 392 F C 0.470 176.249 175.800 -0.035 0.000 1.101 392 F CA 1.543 59.517 58.000 -0.042 0.000 1.226 392 F CB 0.795 39.774 39.000 -0.034 0.000 1.140 392 F HN 1.011 nan 8.300 nan 0.000 0.557 393 E N 2.415 122.431 120.200 -0.307 0.000 1.616 393 E HA 0.813 5.163 4.350 0.001 0.000 0.166 393 E C -1.892 174.559 176.600 -0.249 0.000 1.791 393 E CA -0.411 55.924 56.400 -0.109 0.000 1.091 393 E CB 0.503 30.161 29.700 -0.070 0.000 1.718 393 E HN 1.272 nan 8.360 nan 0.000 0.657 394 A N -0.942 121.807 122.820 -0.118 0.000 2.555 394 A HA 0.616 4.937 4.320 0.001 0.000 0.297 394 A C -0.153 177.405 177.584 -0.042 0.000 1.060 394 A CA 0.311 52.289 52.037 -0.099 0.000 0.710 394 A CB 1.402 20.384 19.000 -0.030 0.000 1.282 394 A HN 1.329 nan 8.150 nan 0.000 0.399 395 V N 1.046 120.930 119.914 -0.050 0.000 3.528 395 V HA 0.282 4.402 4.120 0.001 0.000 0.294 395 V C 1.243 177.338 176.094 0.003 0.000 1.404 395 V CA 0.520 62.814 62.300 -0.011 0.000 1.065 395 V CB 0.185 31.997 31.823 -0.019 0.000 0.904 395 V HN 1.106 nan 8.190 nan 0.000 0.435 396 G N 2.243 111.034 108.800 -0.016 0.000 2.333 396 G HA2 0.554 4.515 3.960 0.001 0.000 0.290 396 G HA3 0.554 4.515 3.960 0.001 0.000 0.290 396 G C -0.367 174.517 174.900 -0.027 0.000 1.150 396 G CA -0.110 44.974 45.100 -0.027 0.000 0.895 396 G HN 0.479 nan 8.290 nan 0.000 0.444 397 K N 1.763 122.109 120.400 -0.089 0.000 2.688 397 K HA 0.127 4.448 4.320 0.001 0.000 0.270 397 K C -1.428 174.910 176.600 -0.437 0.000 1.013 397 K CA -0.789 55.372 56.287 -0.209 0.000 0.924 397 K CB 1.133 33.518 32.500 -0.191 0.000 1.378 397 K HN 0.556 nan 8.250 nan 0.000 0.402 398 E N 2.948 122.827 120.200 -0.534 0.000 2.249 398 E HA 0.587 4.937 4.350 0.001 0.000 0.263 398 E C -0.947 175.176 176.600 -0.795 0.000 0.950 398 E CA -0.814 55.268 56.400 -0.531 0.000 0.827 398 E CB 1.200 30.749 29.700 -0.252 0.000 1.220 398 E HN 0.360 nan 8.360 nan 0.000 0.411 399 F N 0.279 120.218 119.950 -0.019 0.000 2.561 399 F HA 0.274 4.801 4.527 0.001 0.000 0.321 399 F C 1.204 177.014 175.800 0.017 0.000 1.065 399 F CA -0.876 57.122 58.000 -0.002 0.000 0.934 399 F CB 1.833 40.834 39.000 0.000 0.000 1.215 399 F HN 0.583 nan 8.300 nan 0.000 0.471 400 S N 0.455 116.284 115.700 0.215 0.000 2.647 400 S HA -0.005 4.466 4.470 0.001 0.000 0.251 400 S C 0.734 175.413 174.600 0.132 0.000 1.320 400 S CA 0.274 58.565 58.200 0.152 0.000 0.968 400 S CB 0.182 63.465 63.200 0.139 0.000 1.005 400 S HN 0.729 nan 8.310 nan 0.000 0.576 401 N N -1.238 117.522 118.700 0.101 0.000 2.325 401 N HA 0.267 5.007 4.740 0.001 0.000 0.182 401 N C 0.819 176.364 175.510 0.058 0.000 1.088 401 N CA 0.148 53.243 53.050 0.076 0.000 0.879 401 N CB -0.083 38.443 38.487 0.065 0.000 0.983 401 N HN 0.470 nan 8.380 nan 0.000 0.471 402 L N 0.261 121.521 121.223 0.062 0.000 2.693 402 L HA 0.279 4.619 4.340 0.001 0.000 0.235 402 L C 0.668 177.563 176.870 0.041 0.000 1.127 402 L CA 0.547 55.413 54.840 0.044 0.000 0.914 402 L CB -0.045 42.039 42.059 0.043 0.000 1.193 402 L HN 0.211 nan 8.230 nan 0.000 0.502 403 E N -0.263 119.975 120.200 0.064 0.000 2.489 403 E HA -0.120 4.230 4.350 0.001 0.000 0.193 403 E C 1.358 177.944 176.600 -0.023 0.000 1.057 403 E CA -0.176 56.256 56.400 0.053 0.000 0.866 403 E CB 0.426 30.226 29.700 0.166 0.000 0.916 403 E HN 0.074 nan 8.360 nan 0.000 0.500 404 K N 1.111 121.507 120.400 -0.007 0.000 2.242 404 K HA -0.212 4.109 4.320 0.001 0.000 0.206 404 K C 1.757 178.307 176.600 -0.082 0.000 1.045 404 K CA 1.300 57.568 56.287 -0.032 0.000 0.930 404 K CB 0.047 32.541 32.500 -0.009 0.000 0.726 404 K HN 0.041 nan 8.250 nan 0.000 0.462 405 R N -0.876 119.571 120.500 -0.088 0.000 2.052 405 R HA -0.009 4.331 4.340 0.001 0.000 0.226 405 R C 2.214 178.410 176.300 -0.173 0.000 1.145 405 R CA 1.158 57.197 56.100 -0.102 0.000 0.952 405 R CB -0.501 29.757 30.300 -0.070 0.000 0.847 405 R HN 0.116 nan 8.270 nan 0.000 0.431 406 L N 1.771 122.866 121.223 -0.214 0.000 2.013 406 L HA -0.242 4.098 4.340 0.001 0.000 0.212 406 L C 2.247 178.717 176.870 -0.667 0.000 1.073 406 L CA 1.895 56.531 54.840 -0.341 0.000 0.753 406 L CB -0.510 41.373 42.059 -0.294 0.000 0.890 406 L HN 0.225 nan 8.230 nan 0.000 0.432 407 E N 0.244 119.937 120.200 -0.845 0.000 2.132 407 E HA -0.391 3.959 4.350 0.001 0.000 0.218 407 E C 1.940 178.272 176.600 -0.448 0.000 1.058 407 E CA 2.460 58.335 56.400 -0.875 0.000 0.882 407 E CB -0.439 29.097 29.700 -0.273 0.000 0.774 407 E HN 0.834 nan 8.360 nan 0.000 0.467 408 N N -0.613 117.935 118.700 -0.254 0.000 2.415 408 N HA -0.078 4.663 4.740 0.001 0.000 0.176 408 N C 2.159 177.596 175.510 -0.121 0.000 1.042 408 N CA 0.364 53.332 53.050 -0.136 0.000 0.902 408 N CB -0.091 38.346 38.487 -0.085 0.000 0.986 408 N HN 0.052 nan 8.380 nan 0.000 0.447 409 L N 1.352 122.484 121.223 -0.153 0.000 2.042 409 L HA -0.150 4.190 4.340 0.001 0.000 0.210 409 L C 2.082 178.904 176.870 -0.079 0.000 1.076 409 L CA 1.728 56.504 54.840 -0.108 0.000 0.749 409 L CB -0.691 41.300 42.059 -0.114 0.000 0.893 409 L HN 0.429 nan 8.230 nan 0.000 0.432 410 N N -0.688 117.938 118.700 -0.123 0.000 2.171 410 N HA -0.239 4.502 4.740 0.001 0.000 0.184 410 N C 1.977 177.509 175.510 0.037 0.000 1.021 410 N CA 1.058 54.095 53.050 -0.021 0.000 0.854 410 N CB -0.269 38.216 38.487 -0.003 0.000 0.994 410 N HN 0.164 nan 8.380 nan 0.000 0.426 411 K N 0.504 120.908 120.400 0.007 0.000 2.283 411 K HA -0.127 4.193 4.320 0.001 0.000 0.202 411 K C 1.444 178.058 176.600 0.024 0.000 1.048 411 K CA 1.036 57.343 56.287 0.033 0.000 0.948 411 K CB 0.002 32.513 32.500 0.018 0.000 0.742 411 K HN 0.052 nan 8.250 nan 0.000 0.458 412 K N 1.233 121.632 120.400 -0.001 0.000 2.044 412 K HA 0.030 4.351 4.320 0.001 0.000 0.204 412 K C 2.171 178.769 176.600 -0.004 0.000 1.049 412 K CA 1.217 57.495 56.287 -0.014 0.000 0.945 412 K CB -0.405 32.072 32.500 -0.039 0.000 0.724 412 K HN 0.189 nan 8.250 nan 0.000 0.440 413 M N 0.255 119.869 119.600 0.024 0.000 2.065 413 M HA -0.184 4.297 4.480 0.001 0.000 0.259 413 M C 1.418 177.843 176.300 0.208 0.000 1.069 413 M CA 1.886 57.224 55.300 0.064 0.000 1.110 413 M CB -0.062 32.636 32.600 0.163 0.000 1.328 413 M HN 0.013 nan 8.290 nan 0.000 0.405 414 E N 0.075 120.415 120.200 0.233 0.000 2.299 414 E HA -0.129 4.222 4.350 0.001 0.000 0.193 414 E C 1.385 178.105 176.600 0.200 0.000 0.998 414 E CA 0.868 57.438 56.400 0.282 0.000 0.851 414 E CB -0.262 29.550 29.700 0.187 0.000 0.795 414 E HN 0.563 nan 8.360 nan 0.000 0.492 415 D N -0.693 119.777 120.400 0.117 0.000 2.219 415 D HA -0.068 4.572 4.640 0.001 0.000 0.205 415 D C 1.660 178.014 176.300 0.090 0.000 0.970 415 D CA 1.307 55.361 54.000 0.089 0.000 0.851 415 D CB -0.058 40.768 40.800 0.044 0.000 0.943 415 D HN 0.226 nan 8.370 nan 0.000 0.488 416 G N -2.045 106.787 108.800 0.052 0.000 3.020 416 G HA2 -0.002 3.958 3.960 0.001 0.000 0.217 416 G HA3 -0.002 3.958 3.960 0.001 0.000 0.217 416 G C 1.020 175.881 174.900 -0.065 0.000 1.144 416 G CA -0.262 44.819 45.100 -0.031 0.000 0.760 416 G HN 0.132 nan 8.290 nan 0.000 0.548 417 F N 0.639 120.637 119.950 0.079 0.000 2.037 417 F HA 0.146 4.673 4.527 0.001 0.000 0.291 417 F C 2.463 178.400 175.800 0.229 0.000 1.137 417 F CA 0.817 58.901 58.000 0.140 0.000 1.178 417 F CB -0.734 38.403 39.000 0.228 0.000 0.995 417 F HN 0.058 nan 8.300 nan 0.000 0.472 418 L N -0.038 121.479 121.223 0.489 0.000 2.256 418 L HA -0.337 4.004 4.340 0.001 0.000 0.218 418 L C 1.846 178.889 176.870 0.287 0.000 1.089 418 L CA 1.721 56.796 54.840 0.392 0.000 0.777 418 L CB -0.423 41.822 42.059 0.310 0.000 0.890 418 L HN 0.151 nan 8.230 nan 0.000 0.439 419 D N -1.258 119.253 120.400 0.185 0.000 2.106 419 D HA -0.123 4.518 4.640 0.001 0.000 0.203 419 D C 2.244 178.599 176.300 0.091 0.000 0.977 419 D CA 1.425 55.486 54.000 0.102 0.000 0.844 419 D CB -0.370 40.447 40.800 0.028 0.000 1.002 419 D HN 0.177 nan 8.370 nan 0.000 0.461 420 V N 0.704 120.622 119.914 0.006 0.000 2.233 420 V HA -0.321 3.800 4.120 0.001 0.000 0.256 420 V C 2.240 178.337 176.094 0.005 0.000 1.069 420 V CA 2.319 64.564 62.300 -0.092 0.000 1.054 420 V CB -0.716 30.948 31.823 -0.266 0.000 0.664 420 V HN 0.358 nan 8.190 nan 0.000 0.453 421 W N -0.299 121.103 121.300 0.170 0.000 2.338 421 W HA -0.196 4.464 4.660 0.001 0.000 0.304 421 W C 2.642 179.216 176.519 0.091 0.000 1.212 421 W CA 1.624 59.065 57.345 0.159 0.000 1.264 421 W CB -1.039 28.527 29.460 0.178 0.000 1.142 421 W HN 0.202 nan 8.180 nan 0.000 0.512 422 T N -0.363 114.351 114.554 0.265 0.000 2.720 422 T HA -0.340 4.011 4.350 0.001 0.000 0.268 422 T C 1.295 176.022 174.700 0.044 0.000 1.037 422 T CA 1.759 63.903 62.100 0.074 0.000 1.144 422 T CB -0.850 68.034 68.868 0.026 0.000 0.864 422 T HN 0.249 nan 8.240 nan 0.000 0.444 423 Y N 3.044 123.327 120.300 -0.030 0.000 2.049 423 Y HA -0.245 4.305 4.550 0.001 0.000 0.277 423 Y C 2.238 178.107 175.900 -0.050 0.000 1.143 423 Y CA 1.618 59.684 58.100 -0.056 0.000 1.115 423 Y CB -0.740 37.678 38.460 -0.069 0.000 0.975 423 Y HN 0.073 nan 8.280 nan 0.000 0.487 424 N N 0.970 119.657 118.700 -0.022 0.000 2.091 424 N HA -0.243 4.497 4.740 0.001 0.000 0.193 424 N C 1.658 177.125 175.510 -0.071 0.000 1.021 424 N CA 1.437 54.438 53.050 -0.081 0.000 0.862 424 N CB -1.084 37.459 38.487 0.094 0.000 1.018 424 N HN 0.583 nan 8.380 nan 0.000 0.429 425 A N 0.766 123.550 122.820 -0.060 0.000 2.918 425 A HA -0.179 4.142 4.320 0.001 0.000 0.167 425 A C 1.586 179.014 177.584 -0.261 0.000 1.069 425 A CA 1.581 53.455 52.037 -0.273 0.000 0.981 425 A CB -1.274 17.234 19.000 -0.820 0.000 0.875 425 A HN 0.341 nan 8.150 nan 0.000 0.559 426 E N -2.331 117.689 120.200 -0.300 0.000 2.986 426 E HA -0.319 4.032 4.350 0.001 0.000 0.215 426 E C 1.648 178.120 176.600 -0.215 0.000 0.977 426 E CA 2.230 58.494 56.400 -0.228 0.000 1.777 426 E CB -0.582 29.001 29.700 -0.195 0.000 1.681 426 E HN 0.425 nan 8.360 nan 0.000 0.405 427 L N -0.373 120.669 121.223 -0.301 0.000 1.973 427 L HA -0.144 4.196 4.340 0.001 0.000 0.208 427 L C 2.459 179.212 176.870 -0.195 0.000 1.073 427 L CA 1.896 56.549 54.840 -0.312 0.000 0.746 427 L CB -1.108 40.616 42.059 -0.558 0.000 0.891 427 L HN 0.416 nan 8.230 nan 0.000 0.433 428 L N -0.169 120.953 121.223 -0.168 0.000 2.040 428 L HA -0.293 4.047 4.340 0.001 0.000 0.228 428 L C 2.615 179.442 176.870 -0.072 0.000 1.092 428 L CA 1.927 56.717 54.840 -0.083 0.000 0.805 428 L CB -1.111 40.933 42.059 -0.025 0.000 0.905 428 L HN 0.093 nan 8.230 nan 0.000 0.443 429 V N -1.076 118.784 119.914 -0.089 0.000 2.427 429 V HA -0.265 3.856 4.120 0.001 0.000 0.248 429 V C 2.512 178.566 176.094 -0.066 0.000 1.051 429 V CA 1.257 63.516 62.300 -0.069 0.000 1.048 429 V CB -0.372 31.401 31.823 -0.085 0.000 0.666 429 V HN 0.366 nan 8.190 nan 0.000 0.456 430 L N -1.106 120.065 121.223 -0.086 0.000 1.948 430 L HA -0.067 4.274 4.340 0.001 0.000 0.212 430 L C 1.597 178.432 176.870 -0.058 0.000 1.074 430 L CA 1.732 56.529 54.840 -0.072 0.000 0.753 430 L CB -0.572 41.435 42.059 -0.086 0.000 0.888 430 L HN 0.329 nan 8.230 nan 0.000 0.432 431 M N -0.217 119.343 119.600 -0.066 0.000 2.150 431 M HA -0.087 4.393 4.480 0.001 0.000 0.278 431 M C 0.450 176.725 176.300 -0.042 0.000 1.213 431 M CA 0.373 55.643 55.300 -0.050 0.000 1.147 431 M CB 0.014 32.581 32.600 -0.055 0.000 1.371 431 M HN 0.125 nan 8.290 nan 0.000 0.444 432 E N 1.659 121.840 120.200 -0.032 0.000 2.240 432 E HA -0.228 4.123 4.350 0.001 0.000 0.194 432 E C -0.805 175.784 176.600 -0.019 0.000 1.385 432 E CA 0.756 57.139 56.400 -0.028 0.000 0.686 432 E CB -1.219 28.465 29.700 -0.026 0.000 1.125 432 E HN 0.801 nan 8.360 nan 0.000 0.359 433 N N -1.262 117.431 118.700 -0.011 0.000 2.478 433 N HA -0.115 4.625 4.740 0.001 0.000 0.291 433 N C 1.064 176.573 175.510 -0.002 0.000 1.278 433 N CA 0.702 53.749 53.050 -0.005 0.000 2.393 433 N CB -0.791 37.686 38.487 -0.018 0.000 1.989 433 N HN 0.077 nan 8.380 nan 0.000 1.177 434 E N 1.228 121.421 120.200 -0.011 0.000 2.085 434 E HA -0.009 4.341 4.350 0.001 0.000 0.194 434 E C 1.620 178.229 176.600 0.016 0.000 0.994 434 E CA 1.811 58.207 56.400 -0.006 0.000 0.801 434 E CB -0.048 29.643 29.700 -0.015 0.000 0.743 434 E HN 0.549 nan 8.360 nan 0.000 0.453 435 M N -1.393 118.215 119.600 0.013 0.000 2.394 435 M HA 0.038 4.518 4.480 0.001 0.000 0.266 435 M C 1.902 178.232 176.300 0.050 0.000 1.098 435 M CA 1.217 56.535 55.300 0.029 0.000 1.149 435 M CB -0.042 32.554 32.600 -0.007 0.000 1.369 435 M HN -0.053 nan 8.290 nan 0.000 0.450 436 T N 1.434 116.009 114.554 0.036 0.000 2.985 436 T HA 0.025 4.375 4.350 0.001 0.000 0.266 436 T C 1.721 176.510 174.700 0.149 0.000 1.076 436 T CA 0.822 62.962 62.100 0.067 0.000 1.135 436 T CB 0.029 68.927 68.868 0.051 0.000 0.890 436 T HN 0.094 nan 8.240 nan 0.000 0.480 437 L N 1.007 122.297 121.223 0.111 0.000 2.341 437 L HA 0.124 4.464 4.340 0.001 0.000 0.214 437 L C 1.910 178.840 176.870 0.102 0.000 1.115 437 L CA 1.355 56.261 54.840 0.109 0.000 0.820 437 L CB -0.368 41.702 42.059 0.019 0.000 0.944 437 L HN 0.101 nan 8.230 nan 0.000 0.452 438 D N -1.663 118.811 120.400 0.123 0.000 2.240 438 D HA -0.124 4.516 4.640 0.001 0.000 0.206 438 D C 1.982 178.372 176.300 0.150 0.000 0.963 438 D CA 0.481 54.592 54.000 0.185 0.000 0.863 438 D CB 0.013 40.960 40.800 0.245 0.000 0.973 438 D HN 0.155 nan 8.370 nan 0.000 0.501 439 F N 2.247 122.150 119.950 -0.078 0.000 2.154 439 F HA -0.255 4.272 4.527 0.001 0.000 0.301 439 F C 2.228 177.846 175.800 -0.304 0.000 1.087 439 F CA 1.642 59.514 58.000 -0.214 0.000 1.274 439 F CB -0.283 38.566 39.000 -0.251 0.000 1.009 439 F HN 0.096 nan 8.300 nan 0.000 0.485 440 H N -1.196 117.732 119.070 -0.237 0.000 2.333 440 H HA -0.119 4.438 4.556 0.001 0.000 0.302 440 H C 1.864 176.922 175.328 -0.451 0.000 1.075 440 H CA 1.700 57.511 56.048 -0.395 0.000 1.348 440 H CB -0.728 28.871 29.762 -0.272 0.000 1.393 440 H HN 0.293 nan 8.280 nan 0.000 0.509 441 D N 0.238 120.543 120.400 -0.160 0.000 2.182 441 D HA -0.136 4.504 4.640 0.001 0.000 0.201 441 D C 2.392 178.534 176.300 -0.264 0.000 0.986 441 D CA 1.291 55.200 54.000 -0.153 0.000 0.847 441 D CB 0.059 40.884 40.800 0.042 0.000 0.942 441 D HN 0.136 nan 8.370 nan 0.000 0.467 442 S N -0.910 114.489 115.700 -0.502 0.000 2.414 442 S HA -0.065 4.405 4.470 0.001 0.000 0.227 442 S C 1.709 175.941 174.600 -0.613 0.000 1.022 442 S CA 0.763 58.401 58.200 -0.937 0.000 0.958 442 S CB -0.240 62.214 63.200 -1.244 0.000 0.797 442 S HN 0.216 nan 8.310 nan 0.000 0.493 443 N N 1.171 119.480 118.700 -0.651 0.000 2.250 443 N HA 0.032 4.773 4.740 0.001 0.000 0.181 443 N C 1.716 176.868 175.510 -0.597 0.000 1.017 443 N CA 1.117 53.757 53.050 -0.682 0.000 0.866 443 N CB -0.687 37.206 38.487 -0.990 0.000 0.985 443 N HN 0.260 nan 8.380 nan 0.000 0.429 444 V N 1.450 121.007 119.914 -0.596 0.000 2.307 444 V HA -0.199 3.921 4.120 0.001 0.000 0.245 444 V C 2.412 178.447 176.094 -0.097 0.000 1.045 444 V CA 1.438 63.541 62.300 -0.328 0.000 1.024 444 V CB -0.418 31.266 31.823 -0.233 0.000 0.651 444 V HN 0.228 nan 8.190 nan 0.000 0.449 445 K N 1.177 121.525 120.400 -0.088 0.000 2.020 445 K HA -0.229 4.091 4.320 0.001 0.000 0.212 445 K C 1.869 178.532 176.600 0.104 0.000 1.050 445 K CA 2.158 58.499 56.287 0.090 0.000 0.929 445 K CB -0.649 31.895 32.500 0.073 0.000 0.714 445 K HN 0.372 nan 8.250 nan 0.000 0.443 446 N N 0.179 118.850 118.700 -0.049 0.000 2.132 446 N HA -0.187 4.553 4.740 0.001 0.000 0.191 446 N C 1.563 177.090 175.510 0.029 0.000 1.015 446 N CA 1.440 54.469 53.050 -0.034 0.000 0.864 446 N CB -0.277 38.133 38.487 -0.128 0.000 1.006 446 N HN 0.228 nan 8.380 nan 0.000 0.430 447 L N -0.825 120.416 121.223 0.028 0.000 2.049 447 L HA -0.041 4.300 4.340 0.001 0.000 0.203 447 L C 1.996 178.981 176.870 0.191 0.000 1.074 447 L CA 1.146 56.038 54.840 0.086 0.000 0.749 447 L CB -0.851 41.225 42.059 0.029 0.000 0.907 447 L HN 0.140 nan 8.230 nan 0.000 0.439 448 Y N 0.917 121.305 120.300 0.146 0.000 1.967 448 Y HA -0.436 4.114 4.550 0.001 0.000 0.260 448 Y C 2.396 178.433 175.900 0.228 0.000 1.181 448 Y CA 2.458 60.725 58.100 0.278 0.000 1.097 448 Y CB -0.604 38.065 38.460 0.349 0.000 0.934 448 Y HN 0.338 nan 8.280 nan 0.000 0.492 449 D N -0.014 120.548 120.400 0.271 0.000 2.116 449 D HA -0.251 4.389 4.640 0.001 0.000 0.193 449 D C 2.152 178.438 176.300 -0.024 0.000 0.998 449 D CA 1.948 56.009 54.000 0.102 0.000 0.836 449 D CB -0.468 40.415 40.800 0.138 0.000 0.951 449 D HN 0.419 nan 8.370 nan 0.000 0.449 450 K N 0.836 121.245 120.400 0.016 0.000 2.107 450 K HA -0.185 4.136 4.320 0.001 0.000 0.211 450 K C 1.986 178.534 176.600 -0.088 0.000 1.049 450 K CA 1.284 57.565 56.287 -0.009 0.000 0.927 450 K CB -0.113 32.415 32.500 0.047 0.000 0.714 450 K HN -0.042 nan 8.250 nan 0.000 0.452 451 V N 0.729 120.563 119.914 -0.133 0.000 2.283 451 V HA -0.174 3.947 4.120 0.001 0.000 0.243 451 V C 2.554 178.267 176.094 -0.636 0.000 1.039 451 V CA 1.911 64.013 62.300 -0.332 0.000 1.016 451 V CB -0.585 31.050 31.823 -0.312 0.000 0.650 451 V HN 0.409 nan 8.190 nan 0.000 0.449 452 R N -0.163 119.896 120.500 -0.735 0.000 2.132 452 R HA -0.247 4.093 4.340 0.001 0.000 0.233 452 R C 2.365 178.397 176.300 -0.448 0.000 1.125 452 R CA 2.565 58.229 56.100 -0.726 0.000 0.914 452 R CB -0.419 29.689 30.300 -0.319 0.000 0.845 452 R HN 0.408 nan 8.270 nan 0.000 0.431 453 M N 0.261 119.700 119.600 -0.269 0.000 2.260 453 M HA -0.240 4.241 4.480 0.001 0.000 0.261 453 M C 2.312 178.470 176.300 -0.237 0.000 1.066 453 M CA 1.686 56.866 55.300 -0.199 0.000 1.082 453 M CB -0.300 32.231 32.600 -0.115 0.000 1.388 453 M HN 0.341 nan 8.290 nan 0.000 0.419 454 Q N 0.260 119.894 119.800 -0.276 0.000 1.965 454 Q HA -0.155 4.185 4.340 0.001 0.000 0.200 454 Q C 2.064 177.829 176.000 -0.392 0.000 0.981 454 Q CA 1.179 56.831 55.803 -0.252 0.000 0.834 454 Q CB -0.152 28.443 28.738 -0.238 0.000 0.900 454 Q HN 0.308 nan 8.270 nan 0.000 0.426 455 L N 0.226 121.063 121.223 -0.644 0.000 1.941 455 L HA -0.256 4.085 4.340 0.001 0.000 0.224 455 L C 1.113 177.761 176.870 -0.370 0.000 1.081 455 L CA 1.913 56.331 54.840 -0.704 0.000 0.784 455 L CB -0.779 40.792 42.059 -0.814 0.000 0.894 455 L HN 0.340 nan 8.230 nan 0.000 0.436 456 R N -1.219 119.076 120.500 -0.342 0.000 4.143 456 R HA -0.202 4.139 4.340 0.001 0.000 0.287 456 R C 1.070 177.326 176.300 -0.074 0.000 0.241 456 R CA 0.844 56.812 56.100 -0.220 0.000 0.978 456 R CB -1.924 28.159 30.300 -0.363 0.000 1.123 456 R HN 0.499 nan 8.270 nan 0.000 0.499 457 D N 0.891 121.319 120.400 0.046 0.000 2.311 457 D HA -0.101 4.539 4.640 0.001 0.000 0.212 457 D C 1.000 177.494 176.300 0.324 0.000 0.972 457 D CA 1.429 55.542 54.000 0.188 0.000 0.887 457 D CB -0.517 40.414 40.800 0.219 0.000 0.915 457 D HN 0.356 nan 8.370 nan 0.000 0.497 458 N N -0.432 118.488 118.700 0.367 0.000 2.659 458 N HA -0.018 4.723 4.740 0.001 0.000 0.194 458 N C -0.396 175.217 175.510 0.172 0.000 1.140 458 N CA 0.904 54.218 53.050 0.440 0.000 0.936 458 N CB 0.088 38.918 38.487 0.573 0.000 0.970 458 N HN 0.378 nan 8.380 nan 0.000 0.449 459 V N -3.531 116.303 119.914 -0.132 0.000 3.106 459 V HA 0.268 4.389 4.120 0.001 0.000 0.280 459 V C -1.057 174.709 176.094 -0.547 0.000 1.525 459 V CA -1.592 60.336 62.300 -0.621 0.000 0.999 459 V CB 1.712 33.117 31.823 -0.697 0.000 1.186 459 V HN 0.076 nan 8.190 nan 0.000 0.448 460 K N 1.352 121.315 120.400 -0.727 0.000 2.183 460 K HA 0.635 4.955 4.320 0.001 0.000 0.274 460 K C -0.354 176.155 176.600 -0.153 0.000 1.009 460 K CA -0.478 55.617 56.287 -0.321 0.000 0.888 460 K CB 2.713 35.089 32.500 -0.208 0.000 1.078 460 K HN 0.884 nan 8.250 nan 0.000 0.459 461 E N 4.806 124.971 120.200 -0.059 0.000 1.924 461 E HA 0.016 4.367 4.350 0.001 0.000 0.261 461 E C 0.194 176.724 176.600 -0.117 0.000 1.088 461 E CA -0.456 55.874 56.400 -0.115 0.000 0.909 461 E CB 0.286 29.984 29.700 -0.004 0.000 1.112 461 E HN 0.648 nan 8.360 nan 0.000 0.425 462 L N 3.543 124.691 121.223 -0.124 0.000 2.151 462 L HA -0.190 4.151 4.340 0.001 0.000 0.215 462 L C 1.884 178.728 176.870 -0.042 0.000 1.084 462 L CA 2.317 57.120 54.840 -0.061 0.000 0.764 462 L CB -0.668 41.366 42.059 -0.042 0.000 0.891 462 L HN 0.887 nan 8.230 nan 0.000 0.435 463 G N -1.500 107.266 108.800 -0.058 0.000 2.179 463 G HA2 -0.262 3.699 3.960 0.001 0.000 0.220 463 G HA3 -0.262 3.699 3.960 0.001 0.000 0.220 463 G C 0.472 175.404 174.900 0.053 0.000 0.990 463 G CA 0.312 45.397 45.100 -0.025 0.000 0.646 463 G HN 0.508 nan 8.290 nan 0.000 0.517 464 N N 0.494 119.225 118.700 0.052 0.000 2.380 464 N HA 0.447 5.188 4.740 0.001 0.000 0.255 464 N C 1.391 176.953 175.510 0.086 0.000 1.158 464 N CA 0.245 53.343 53.050 0.079 0.000 0.878 464 N CB 0.070 38.587 38.487 0.050 0.000 1.138 464 N HN 1.536 nan 8.380 nan 0.000 0.509 465 G N -0.650 108.238 108.800 0.147 0.000 2.155 465 G HA2 -0.283 3.677 3.960 0.001 0.000 0.257 465 G HA3 -0.283 3.677 3.960 0.001 0.000 0.257 465 G C -0.303 174.706 174.900 0.181 0.000 0.983 465 G CA 0.338 45.585 45.100 0.246 0.000 0.676 465 G HN 0.539 nan 8.290 nan 0.000 0.528 466 c N 0.741 119.327 118.600 -0.022 0.000 2.301 466 c HA 0.668 5.238 4.570 0.001 0.000 0.323 466 c C 0.108 174.050 174.090 -0.246 0.000 1.265 466 c CA -1.113 55.200 56.329 -0.028 0.000 1.503 466 c CB -0.406 42.158 42.510 0.089 0.000 2.195 466 c HN 0.311 nan 8.230 nan 0.000 0.477 467 F N 3.199 123.159 119.950 0.016 0.000 2.404 467 F HA 0.330 4.857 4.527 0.001 0.000 0.358 467 F C 0.751 176.400 175.800 -0.252 0.000 1.120 467 F CA -0.013 57.873 58.000 -0.191 0.000 1.144 467 F CB 0.459 39.238 39.000 -0.368 0.000 1.133 467 F HN 0.530 nan 8.300 nan 0.000 0.495 468 E N 3.413 123.541 120.200 -0.118 0.000 2.301 468 E HA 0.283 4.634 4.350 0.001 0.000 0.275 468 E C -1.291 175.122 176.600 -0.311 0.000 1.030 468 E CA -0.593 55.745 56.400 -0.103 0.000 0.852 468 E CB 0.885 30.557 29.700 -0.047 0.000 1.060 468 E HN 0.397 nan 8.360 nan 0.000 0.401 469 F N 2.807 122.650 119.950 -0.179 0.000 2.411 469 F HA 0.159 4.686 4.527 0.001 0.000 0.350 469 F C 0.034 175.763 175.800 -0.118 0.000 1.114 469 F CA -0.534 57.303 58.000 -0.272 0.000 1.135 469 F CB 0.633 39.403 39.000 -0.383 0.000 1.120 469 F HN 0.485 nan 8.300 nan 0.000 0.495 470 Y N 3.781 124.144 120.300 0.106 0.000 2.994 470 Y HA 0.222 4.773 4.550 0.001 0.000 0.393 470 Y C 0.026 176.115 175.900 0.315 0.000 1.118 470 Y CA -0.636 57.570 58.100 0.176 0.000 1.906 470 Y CB -1.783 36.784 38.460 0.179 0.000 1.925 470 Y HN 0.666 nan 8.280 nan 0.000 0.446 471 H N -3.166 116.146 119.070 0.404 0.000 2.826 471 H HA 0.369 4.925 4.556 0.001 0.000 0.258 471 H C -1.519 173.928 175.328 0.199 0.000 1.454 471 H CA -1.369 54.859 56.048 0.300 0.000 1.121 471 H CB 0.656 30.633 29.762 0.360 0.000 1.776 471 H HN -0.226 nan 8.280 nan 0.000 0.525 472 K N 0.152 120.784 120.400 0.386 0.000 2.110 472 K HA 0.570 4.890 4.320 0.001 0.000 0.263 472 K C -1.083 175.635 176.600 0.196 0.000 0.975 472 K CA -0.447 55.946 56.287 0.177 0.000 0.895 472 K CB 1.750 34.344 32.500 0.156 0.000 1.060 472 K HN 0.661 nan 8.250 nan 0.000 0.448 473 c N 4.715 123.253 118.600 -0.104 0.000 3.362 473 c HA 0.101 4.671 4.570 0.001 0.000 0.276 473 c C -0.328 173.671 174.090 -0.152 0.000 1.102 473 c CA -0.953 55.249 56.329 -0.211 0.000 1.361 473 c CB -1.086 40.952 42.510 -0.786 0.000 1.822 473 c HN 0.909 nan 8.230 nan 0.000 0.538 474 D N 1.945 122.324 120.400 -0.036 0.000 2.319 474 D HA -0.062 4.579 4.640 0.001 0.000 0.235 474 D C 0.825 177.112 176.300 -0.022 0.000 1.304 474 D CA 0.304 54.288 54.000 -0.027 0.000 0.894 474 D CB 0.795 41.596 40.800 0.002 0.000 1.183 474 D HN 0.408 nan 8.370 nan 0.000 0.472 475 D N -0.276 120.126 120.400 0.003 0.000 2.116 475 D HA -0.186 4.455 4.640 0.001 0.000 0.193 475 D C 1.682 177.988 176.300 0.011 0.000 0.998 475 D CA 1.418 55.440 54.000 0.038 0.000 0.836 475 D CB -0.310 40.522 40.800 0.054 0.000 0.951 475 D HN 0.548 nan 8.370 nan 0.000 0.449 476 E N -0.395 119.812 120.200 0.010 0.000 2.273 476 E HA -0.155 4.195 4.350 0.001 0.000 0.198 476 E C 1.891 178.499 176.600 0.013 0.000 1.002 476 E CA 0.456 56.862 56.400 0.011 0.000 0.828 476 E CB -0.285 29.424 29.700 0.015 0.000 0.747 476 E HN 0.300 nan 8.360 nan 0.000 0.491 477 c N -0.727 117.877 118.600 0.007 0.000 2.564 477 c HA 0.025 4.596 4.570 0.001 0.000 0.281 477 c C 2.346 176.416 174.090 -0.034 0.000 1.314 477 c CA 0.333 56.657 56.329 -0.007 0.000 1.706 477 c CB -0.776 41.707 42.510 -0.044 0.000 2.109 477 c HN 0.428 nan 8.230 nan 0.000 0.502 478 M N 1.619 121.176 119.600 -0.072 0.000 2.073 478 M HA -0.158 4.322 4.480 0.001 0.000 0.258 478 M C 1.658 177.882 176.300 -0.127 0.000 1.070 478 M CA 1.803 57.042 55.300 -0.101 0.000 1.103 478 M CB -1.881 30.664 32.600 -0.092 0.000 1.321 478 M HN 0.447 nan 8.290 nan 0.000 0.405 479 N N 0.929 119.570 118.700 -0.098 0.000 2.258 479 N HA -0.131 4.609 4.740 0.001 0.000 0.187 479 N C 1.826 177.306 175.510 -0.050 0.000 1.012 479 N CA 1.860 54.859 53.050 -0.085 0.000 0.870 479 N CB -0.545 37.915 38.487 -0.045 0.000 0.977 479 N HN 0.548 nan 8.380 nan 0.000 0.434 480 S N -0.718 114.976 115.700 -0.010 0.000 2.414 480 S HA 0.015 4.486 4.470 0.001 0.000 0.227 480 S C 2.059 176.691 174.600 0.053 0.000 1.022 480 S CA 0.518 58.739 58.200 0.035 0.000 0.958 480 S CB -0.470 62.768 63.200 0.063 0.000 0.797 480 S HN 0.020 nan 8.310 nan 0.000 0.493 481 V N 2.405 122.335 119.914 0.027 0.000 2.270 481 V HA -0.166 3.954 4.120 0.001 0.000 0.245 481 V C 2.650 178.669 176.094 -0.124 0.000 1.043 481 V CA 2.158 64.441 62.300 -0.028 0.000 1.014 481 V CB -0.786 30.983 31.823 -0.090 0.000 0.645 481 V HN 0.475 nan 8.190 nan 0.000 0.447 482 K N 0.271 120.517 120.400 -0.257 0.000 1.977 482 K HA -0.259 4.061 4.320 0.001 0.000 0.218 482 K C 2.048 178.625 176.600 -0.039 0.000 1.051 482 K CA 2.128 58.259 56.287 -0.259 0.000 0.953 482 K CB -0.591 31.706 32.500 -0.337 0.000 0.727 482 K HN 0.314 nan 8.250 nan 0.000 0.445 483 N N -0.700 117.985 118.700 -0.025 0.000 2.231 483 N HA -0.269 4.472 4.740 0.001 0.000 0.199 483 N C 1.066 176.596 175.510 0.033 0.000 0.965 483 N CA 2.476 55.534 53.050 0.014 0.000 0.919 483 N CB -0.285 38.211 38.487 0.014 0.000 1.067 483 N HN 0.540 nan 8.380 nan 0.000 0.583 484 G N -3.429 105.390 108.800 0.033 0.000 2.192 484 G HA2 -0.181 3.780 3.960 0.001 0.000 0.193 484 G HA3 -0.181 3.780 3.960 0.001 0.000 0.193 484 G C -0.202 174.734 174.900 0.059 0.000 0.999 484 G CA 0.365 45.491 45.100 0.043 0.000 0.659 484 G HN 0.641 nan 8.290 nan 0.000 0.503 485 T N -2.110 112.488 114.554 0.073 0.000 2.934 485 T HA 0.585 4.935 4.350 0.001 0.000 0.328 485 T C 0.268 175.056 174.700 0.147 0.000 1.068 485 T CA -0.239 61.916 62.100 0.092 0.000 1.018 485 T CB 1.711 70.615 68.868 0.060 0.000 1.009 485 T HN 0.471 nan 8.240 nan 0.000 0.471 486 Y N 2.653 122.982 120.300 0.048 0.000 2.396 486 Y HA 0.165 4.715 4.550 0.001 0.000 0.292 486 Y C 0.918 176.917 175.900 0.165 0.000 1.128 486 Y CA 0.667 58.812 58.100 0.076 0.000 1.194 486 Y CB 0.549 39.042 38.460 0.055 0.000 1.124 486 Y HN 0.712 nan 8.280 nan 0.000 0.543 487 D N -1.101 119.312 120.400 0.021 0.000 2.924 487 D HA -0.250 4.391 4.640 0.001 0.000 0.224 487 D C 0.319 176.604 176.300 -0.026 0.000 1.080 487 D CA 0.631 54.611 54.000 -0.034 0.000 0.781 487 D CB -1.830 38.928 40.800 -0.070 0.000 1.087 487 D HN 0.546 nan 8.370 nan 0.000 0.441 488 Y N 1.438 121.770 120.300 0.054 0.000 2.173 488 Y HA -0.281 4.269 4.550 0.001 0.000 0.282 488 Y C 1.844 177.787 175.900 0.071 0.000 1.192 488 Y CA 2.345 60.559 58.100 0.190 0.000 1.176 488 Y CB -0.471 38.141 38.460 0.254 0.000 0.969 488 Y HN 0.260 nan 8.280 nan 0.000 0.519 489 S N 0.166 115.887 115.700 0.035 0.000 3.911 489 S HA 0.156 4.626 4.470 0.001 0.000 0.188 489 S C 0.530 175.026 174.600 -0.173 0.000 1.147 489 S CA 0.616 58.766 58.200 -0.084 0.000 0.961 489 S CB -0.317 62.872 63.200 -0.018 0.000 1.582 489 S HN 0.685 nan 8.310 nan 0.000 0.458 490 K N 0.630 120.870 120.400 -0.266 0.000 2.901 490 K HA 0.009 4.329 4.320 0.001 0.000 0.269 490 K C -0.098 176.216 176.600 -0.478 0.000 2.867 490 K CA -0.087 55.956 56.287 -0.406 0.000 1.551 490 K CB -0.869 31.304 32.500 -0.546 0.000 3.095 490 K HN 0.274 nan 8.250 nan 0.000 0.353 491 Y N 2.617 122.720 120.300 -0.329 0.000 2.619 491 Y HA 0.139 4.689 4.550 0.001 0.000 0.308 491 Y C 1.654 177.432 175.900 -0.204 0.000 1.192 491 Y CA 0.882 58.763 58.100 -0.365 0.000 1.319 491 Y CB 0.116 38.189 38.460 -0.644 0.000 1.030 491 Y HN 0.321 nan 8.280 nan 0.000 0.517 492 E N 0.869 120.945 120.200 -0.207 0.000 2.285 492 E HA -0.087 4.263 4.350 0.001 0.000 0.194 492 E C 0.147 176.669 176.600 -0.129 0.000 0.997 492 E CA 0.050 56.311 56.400 -0.231 0.000 0.845 492 E CB 0.142 29.574 29.700 -0.446 0.000 0.782 492 E HN 0.503 nan 8.360 nan 0.000 0.491 493 E N 1.711 121.818 120.200 -0.155 0.000 1.774 493 E HA 0.026 4.376 4.350 0.001 0.000 0.265 493 E C -0.966 175.599 176.600 -0.059 0.000 1.207 493 E CA 0.332 56.663 56.400 -0.115 0.000 1.054 493 E CB 0.029 29.633 29.700 -0.160 0.000 1.074 493 E HN 0.139 nan 8.360 nan 0.000 0.433 494 E N 0.538 120.737 120.200 -0.002 0.000 4.938 494 E HA -0.011 4.339 4.350 0.001 0.000 0.359 494 E C -1.786 174.878 176.600 0.107 0.000 1.114 494 E CA -0.177 56.266 56.400 0.073 0.000 0.737 494 E CB 0.009 29.795 29.700 0.143 0.000 1.058 494 E HN 0.210 nan 8.360 nan 0.000 0.643 495 S N 2.758 118.495 115.700 0.062 0.000 2.521 495 S HA 0.644 5.114 4.470 0.001 0.000 0.295 495 S C -0.637 173.939 174.600 -0.039 0.000 1.098 495 S CA -0.876 57.339 58.200 0.025 0.000 0.999 495 S CB 1.705 64.909 63.200 0.006 0.000 1.034 495 S HN 0.498 nan 8.310 nan 0.000 0.483 496 K N 0.000 120.295 120.400 -0.175 0.000 2.780 496 K HA 0.000 4.320 4.320 0.001 0.000 0.191 496 K CA 0.000 56.132 56.287 -0.259 0.000 0.838 496 K CB 0.000 32.382 32.500 -0.196 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543