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_F 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 0.000 176.404 176.117 0.478 0.000 1.063 7 I CA 0.000 61.510 61.300 0.350 0.000 1.566 7 I CB 0.000 38.133 38.000 0.222 0.000 1.214 8 c N 6.491 125.397 118.600 0.510 0.000 2.408 8 c HA 0.669 5.261 4.570 0.036 0.000 0.321 8 c C -0.070 174.434 174.090 0.690 0.000 1.245 8 c CA -0.568 56.125 56.329 0.607 0.000 1.523 8 c CB 1.527 44.397 42.510 0.599 0.000 2.178 8 c HN 0.404 nan 8.230 nan 0.000 0.488 9 V N 3.669 123.957 119.914 0.624 0.000 2.465 9 V HA 0.866 5.007 4.120 0.036 0.000 0.279 9 V C 0.701 176.865 176.094 0.116 0.000 1.045 9 V CA 0.517 63.084 62.300 0.445 0.000 0.938 9 V CB 1.118 33.348 31.823 0.680 0.000 0.986 9 V HN 1.169 nan 8.190 nan 0.000 0.467 10 G N 3.597 112.253 108.800 -0.238 0.000 2.600 10 G HA2 0.683 4.665 3.960 0.036 0.000 0.293 10 G HA3 0.683 4.665 3.960 0.036 0.000 0.293 10 G C -1.892 172.613 174.900 -0.658 0.000 1.408 10 G CA -0.600 43.991 45.100 -0.848 0.000 0.782 10 G HN 0.724 nan 8.290 nan 0.000 0.482 11 Y N -1.683 118.266 120.300 -0.586 0.000 2.545 11 Y HA 0.766 5.338 4.550 0.036 0.000 0.348 11 Y C -0.107 175.682 175.900 -0.185 0.000 1.002 11 Y CA -1.745 56.232 58.100 -0.206 0.000 1.039 11 Y CB 0.823 39.225 38.460 -0.097 0.000 1.271 11 Y HN 0.788 nan 8.280 nan 0.000 0.467 12 H N 1.550 120.694 119.070 0.124 0.000 2.972 12 H HA 0.514 5.092 4.556 0.036 0.000 0.343 12 H C -0.456 174.940 175.328 0.113 0.000 1.054 12 H CA 0.902 57.016 56.048 0.111 0.000 1.412 12 H CB 0.360 30.274 29.762 0.254 0.000 1.385 12 H HN 1.120 nan 8.280 nan 0.000 0.600 13 S N 2.776 118.241 115.700 -0.392 0.000 2.627 13 S HA 0.690 5.182 4.470 0.036 0.000 0.283 13 S C -0.522 173.708 174.600 -0.617 0.000 1.127 13 S CA -0.365 57.584 58.200 -0.420 0.000 0.863 13 S CB 1.499 64.603 63.200 -0.159 0.000 1.121 13 S HN 1.062 nan 8.310 nan 0.000 0.479 14 N N -0.388 118.081 118.700 -0.384 0.000 3.339 14 N HA 0.237 4.999 4.740 0.036 0.000 0.275 14 N C -1.776 173.662 175.510 -0.119 0.000 1.514 14 N CA -0.769 52.157 53.050 -0.206 0.000 0.879 14 N CB 0.055 38.461 38.487 -0.135 0.000 1.557 14 N HN 0.278 nan 8.380 nan 0.000 0.524 15 N N -0.394 118.276 118.700 -0.051 0.000 2.878 15 N HA 0.059 4.821 4.740 0.036 0.000 0.282 15 N C -0.725 174.759 175.510 -0.045 0.000 1.284 15 N CA 0.149 53.177 53.050 -0.037 0.000 1.053 15 N CB -0.314 38.168 38.487 -0.008 0.000 1.382 15 N HN 0.495 nan 8.380 nan 0.000 0.529 16 S N -0.196 115.451 115.700 -0.087 0.000 2.508 16 S HA 0.313 4.804 4.470 0.036 0.000 0.284 16 S C 1.155 175.709 174.600 -0.076 0.000 1.192 16 S CA -0.526 57.619 58.200 -0.091 0.000 1.070 16 S CB 0.707 63.801 63.200 -0.176 0.000 1.004 16 S HN 0.421 nan 8.310 nan 0.000 0.493 17 T N 0.915 115.439 114.554 -0.051 0.000 3.040 17 T HA 0.330 4.702 4.350 0.036 0.000 0.266 17 T C 0.129 174.806 174.700 -0.038 0.000 1.005 17 T CA -0.358 61.717 62.100 -0.042 0.000 0.906 17 T CB -0.087 68.765 68.868 -0.027 0.000 1.082 17 T HN 0.613 nan 8.240 nan 0.000 0.531 18 E N 1.807 121.983 120.200 -0.040 0.000 2.360 18 E HA 0.364 4.736 4.350 0.036 0.000 0.269 18 E C -0.698 175.881 176.600 -0.034 0.000 1.022 18 E CA -0.183 56.201 56.400 -0.027 0.000 0.887 18 E CB 0.762 30.455 29.700 -0.011 0.000 0.990 18 E HN 0.130 nan 8.360 nan 0.000 0.426 19 K N 1.246 121.630 120.400 -0.026 0.000 2.164 19 K HA 0.371 4.712 4.320 0.036 0.000 0.258 19 K C -0.684 175.902 176.600 -0.024 0.000 0.951 19 K CA -0.612 55.656 56.287 -0.030 0.000 0.844 19 K CB 1.768 34.251 32.500 -0.029 0.000 1.099 19 K HN 0.351 nan 8.250 nan 0.000 0.435 20 V N -1.769 118.128 119.914 -0.029 0.000 3.074 20 V HA 0.671 4.812 4.120 0.036 0.000 0.314 20 V C -1.028 175.047 176.094 -0.032 0.000 1.117 20 V CA -0.886 61.399 62.300 -0.025 0.000 1.014 20 V CB 2.253 34.065 31.823 -0.019 0.000 1.057 20 V HN 0.570 nan 8.190 nan 0.000 0.438 21 D N 1.355 121.735 120.400 -0.034 0.000 2.252 21 D HA 0.771 5.433 4.640 0.036 0.000 0.245 21 D C 0.210 176.486 176.300 -0.040 0.000 1.009 21 D CA 0.108 54.085 54.000 -0.039 0.000 0.870 21 D CB 2.082 42.856 40.800 -0.044 0.000 1.251 21 D HN 1.130 nan 8.370 nan 0.000 0.460 22 T N -2.094 112.436 114.554 -0.040 0.000 2.773 22 T HA 0.418 4.790 4.350 0.036 0.000 0.278 22 T C 0.982 175.655 174.700 -0.044 0.000 1.011 22 T CA -0.715 61.361 62.100 -0.040 0.000 1.014 22 T CB 0.666 69.514 68.868 -0.034 0.000 1.293 22 T HN 0.250 nan 8.240 nan 0.000 0.554 23 I N -0.280 120.265 120.570 -0.043 0.000 2.500 23 I HA 0.160 4.352 4.170 0.036 0.000 0.252 23 I C 1.690 177.784 176.117 -0.039 0.000 1.142 23 I CA 0.936 62.208 61.300 -0.045 0.000 1.451 23 I CB -0.069 37.904 38.000 -0.046 0.000 1.093 23 I HN 0.547 nan 8.210 nan 0.000 0.430 24 L N -0.531 120.670 121.223 -0.036 0.000 2.554 24 L HA 0.232 4.594 4.340 0.036 0.000 0.225 24 L C 0.510 177.360 176.870 -0.034 0.000 1.104 24 L CA 0.107 54.926 54.840 -0.034 0.000 0.866 24 L CB 0.059 42.097 42.059 -0.034 0.000 1.047 24 L HN 0.161 nan 8.230 nan 0.000 0.468 25 E N 0.272 120.451 120.200 -0.035 0.000 2.378 25 E HA 0.324 4.696 4.350 0.036 0.000 0.283 25 E C -1.023 175.556 176.600 -0.036 0.000 0.979 25 E CA -0.737 55.642 56.400 -0.035 0.000 0.795 25 E CB 1.754 31.431 29.700 -0.037 0.000 1.221 25 E HN -0.050 nan 8.360 nan 0.000 0.428 26 R N 2.298 122.778 120.500 -0.034 0.000 2.691 26 R HA 0.403 4.765 4.340 0.036 0.000 0.259 26 R C 0.019 176.299 176.300 -0.034 0.000 1.048 26 R CA -0.889 55.191 56.100 -0.034 0.000 1.086 26 R CB 0.221 30.503 30.300 -0.031 0.000 1.166 26 R HN 0.682 nan 8.270 nan 0.000 0.526 27 N N -0.489 118.191 118.700 -0.033 0.000 2.708 27 N HA -0.156 4.605 4.740 0.036 0.000 0.251 27 N C -0.667 174.821 175.510 -0.038 0.000 1.017 27 N CA 0.530 53.560 53.050 -0.033 0.000 0.742 27 N CB -1.175 37.295 38.487 -0.029 0.000 0.943 27 N HN 0.274 nan 8.380 nan 0.000 0.539 28 V N 1.024 120.913 119.914 -0.042 0.000 2.479 28 V HA 0.028 4.169 4.120 0.036 0.000 0.281 28 V C 1.069 177.129 176.094 -0.057 0.000 1.031 28 V CA 0.034 62.304 62.300 -0.051 0.000 1.038 28 V CB 1.066 32.857 31.823 -0.053 0.000 0.981 28 V HN 0.221 nan 8.190 nan 0.000 0.478 29 T N 5.926 120.441 114.554 -0.064 0.000 2.870 29 T HA 0.422 4.794 4.350 0.036 0.000 0.300 29 T C -0.056 174.583 174.700 -0.102 0.000 0.989 29 T CA -0.145 61.910 62.100 -0.075 0.000 1.139 29 T CB 0.923 69.747 68.868 -0.074 0.000 0.920 29 T HN 0.741 nan 8.240 nan 0.000 0.537 30 V N 0.600 120.448 119.914 -0.110 0.000 2.962 30 V HA 0.606 4.747 4.120 0.036 0.000 0.313 30 V C 1.266 177.238 176.094 -0.203 0.000 1.099 30 V CA -0.557 61.654 62.300 -0.147 0.000 0.971 30 V CB 1.295 33.056 31.823 -0.104 0.000 1.028 30 V HN 0.859 nan 8.190 nan 0.000 0.430 31 T N -0.207 114.173 114.554 -0.290 0.000 2.720 31 T HA -0.043 4.328 4.350 0.036 0.000 0.268 31 T C 0.511 174.698 174.700 -0.855 0.000 1.037 31 T CA 1.926 63.707 62.100 -0.531 0.000 1.144 31 T CB -0.641 67.998 68.868 -0.381 0.000 0.864 31 T HN 1.010 nan 8.240 nan 0.000 0.444 32 H N -0.396 118.728 119.070 0.091 0.000 3.086 32 H HA 0.754 5.332 4.556 0.036 0.000 0.353 32 H C -0.279 175.112 175.328 0.106 0.000 1.134 32 H CA -0.452 55.679 56.048 0.139 0.000 1.248 32 H CB 1.594 31.518 29.762 0.269 0.000 1.878 32 H HN 0.463 nan 8.280 nan 0.000 0.527 33 A N 1.822 124.752 122.820 0.183 0.000 2.548 33 A HA 0.829 5.170 4.320 0.036 0.000 0.262 33 A C -1.269 176.386 177.584 0.118 0.000 1.271 33 A CA -0.745 51.365 52.037 0.121 0.000 0.839 33 A CB 2.093 21.130 19.000 0.061 0.000 1.381 33 A HN 0.613 nan 8.150 nan 0.000 0.468 34 Q N -0.032 119.818 119.800 0.084 0.000 2.364 34 Q HA 0.354 4.716 4.340 0.036 0.000 0.257 34 Q C -2.324 173.711 176.000 0.059 0.000 0.956 34 Q CA -0.526 55.322 55.803 0.075 0.000 0.924 34 Q CB 1.845 30.633 28.738 0.083 0.000 1.413 34 Q HN 0.675 nan 8.270 nan 0.000 0.418 35 D N 3.858 124.289 120.400 0.053 0.000 2.316 35 D HA 0.210 4.872 4.640 0.036 0.000 0.245 35 D C 0.780 177.118 176.300 0.063 0.000 1.171 35 D CA -0.236 53.793 54.000 0.048 0.000 0.856 35 D CB 0.907 41.730 40.800 0.039 0.000 1.090 35 D HN 0.636 nan 8.370 nan 0.000 0.476 36 I N 1.092 121.710 120.570 0.080 0.000 3.956 36 I HA 0.276 4.468 4.170 0.036 0.000 0.333 36 I C -0.038 176.182 176.117 0.172 0.000 1.302 36 I CA -0.311 61.066 61.300 0.129 0.000 1.122 36 I CB 0.242 38.352 38.000 0.184 0.000 1.013 36 I HN 0.123 nan 8.210 nan 0.000 0.405 37 L N 2.508 123.801 121.223 0.117 0.000 2.262 37 L HA 0.474 4.835 4.340 0.036 0.000 0.288 37 L C 0.022 176.951 176.870 0.097 0.000 1.035 37 L CA -0.316 54.596 54.840 0.120 0.000 0.820 37 L CB 0.912 42.995 42.059 0.041 0.000 1.204 37 L HN 0.102 nan 8.230 nan 0.000 0.424 38 E N 3.770 124.045 120.200 0.124 0.000 2.376 38 E HA 0.101 4.473 4.350 0.036 0.000 0.266 38 E C -0.048 176.626 176.600 0.123 0.000 1.009 38 E CA 0.741 57.206 56.400 0.109 0.000 0.902 38 E CB 0.852 30.620 29.700 0.114 0.000 0.972 38 E HN 0.607 nan 8.360 nan 0.000 0.439 39 K N 1.879 122.330 120.400 0.085 0.000 2.477 39 K HA 0.139 4.480 4.320 0.036 0.000 0.208 39 K C -0.467 176.172 176.600 0.066 0.000 1.117 39 K CA 0.033 56.369 56.287 0.082 0.000 1.039 39 K CB 1.109 33.637 32.500 0.045 0.000 0.937 39 K HN 0.464 nan 8.250 nan 0.000 0.570 40 T N 0.614 115.192 114.554 0.040 0.000 2.876 40 T HA 0.342 4.714 4.350 0.036 0.000 0.289 40 T C -1.559 173.138 174.700 -0.006 0.000 1.014 40 T CA -0.753 61.323 62.100 -0.040 0.000 0.986 40 T CB 0.808 69.636 68.868 -0.067 0.000 1.021 40 T HN 0.313 nan 8.240 nan 0.000 0.458 41 H N 2.254 121.324 119.070 0.000 0.000 2.679 41 H HA 0.576 5.154 4.556 0.037 0.000 0.367 41 H C 1.161 176.477 175.328 -0.021 0.000 1.162 41 H CA -1.002 55.034 56.048 -0.021 0.000 1.181 41 H CB 0.711 30.455 29.762 -0.030 0.000 1.693 41 H HN 0.380 nan 8.280 nan 0.000 0.538 42 N N 1.376 120.157 118.700 0.135 0.000 2.069 42 N HA -0.235 4.527 4.740 0.036 0.000 0.196 42 N C 1.487 177.067 175.510 0.117 0.000 1.024 42 N CA 2.946 56.045 53.050 0.081 0.000 0.869 42 N CB -0.513 38.003 38.487 0.049 0.000 1.035 42 N HN 1.096 nan 8.380 nan 0.000 0.434 43 G N -0.418 108.535 108.800 0.254 0.000 2.213 43 G HA2 -0.251 3.731 3.960 0.036 0.000 0.236 43 G HA3 -0.251 3.731 3.960 0.036 0.000 0.236 43 G C -0.123 174.824 174.900 0.079 0.000 0.991 43 G CA 0.703 45.932 45.100 0.215 0.000 0.629 43 G HN 0.686 nan 8.290 nan 0.000 0.517 44 K N -0.044 120.382 120.400 0.043 0.000 2.395 44 K HA 0.831 5.173 4.320 0.036 0.000 0.247 44 K C -0.828 175.771 176.600 -0.003 0.000 0.973 44 K CA -1.257 55.038 56.287 0.012 0.000 0.828 44 K CB 2.122 34.630 32.500 0.013 0.000 1.272 44 K HN 0.070 nan 8.250 nan 0.000 0.439 45 L N 1.457 122.680 121.223 -0.000 0.000 2.292 45 L HA 0.402 4.764 4.340 0.036 0.000 0.284 45 L C -0.517 176.387 176.870 0.056 0.000 1.065 45 L CA -0.099 54.757 54.840 0.027 0.000 0.806 45 L CB 1.073 43.156 42.059 0.040 0.000 1.175 45 L HN 0.762 nan 8.230 nan 0.000 0.431 46 c N 0.397 119.055 118.600 0.096 0.000 3.259 46 c HA 0.507 5.099 4.570 0.036 0.000 0.328 46 c C -0.014 174.168 174.090 0.153 0.000 1.425 46 c CA -1.629 54.751 56.329 0.085 0.000 1.465 46 c CB 1.936 44.472 42.510 0.044 0.000 1.890 46 c HN 0.723 nan 8.230 nan 0.000 0.450 47 K N 0.309 120.770 120.400 0.101 0.000 2.336 47 K HA 0.358 4.699 4.320 0.036 0.000 0.262 47 K C -0.901 175.791 176.600 0.154 0.000 0.992 47 K CA -0.062 56.299 56.287 0.123 0.000 0.927 47 K CB 0.231 32.770 32.500 0.066 0.000 0.956 47 K HN 0.462 nan 8.250 nan 0.000 0.495 48 L N 3.213 124.552 121.223 0.193 0.000 2.366 48 L HA 0.247 4.609 4.340 0.036 0.000 0.266 48 L C -1.190 175.753 176.870 0.122 0.000 1.010 48 L CA -0.054 54.881 54.840 0.158 0.000 0.879 48 L CB 0.189 42.382 42.059 0.223 0.000 1.228 48 L HN 0.641 nan 8.230 nan 0.000 0.439 49 N N 3.425 122.173 118.700 0.079 0.000 2.815 49 N HA -0.167 4.594 4.740 0.036 0.000 0.248 49 N C 0.913 176.450 175.510 0.045 0.000 1.110 49 N CA 1.318 54.401 53.050 0.056 0.000 0.699 49 N CB -1.503 37.018 38.487 0.056 0.000 1.040 49 N HN 1.072 nan 8.380 nan 0.000 0.555 50 G N -1.107 107.721 108.800 0.046 0.000 2.550 50 G HA2 -0.364 3.618 3.960 0.036 0.000 0.233 50 G HA3 -0.364 3.618 3.960 0.036 0.000 0.233 50 G C 0.190 175.115 174.900 0.041 0.000 1.170 50 G CA 0.351 45.473 45.100 0.036 0.000 0.693 50 G HN 0.427 nan 8.290 nan 0.000 0.512 51 I N 3.639 124.239 120.570 0.049 0.000 2.668 51 I HA 0.228 4.419 4.170 0.036 0.000 0.285 51 I C -1.626 174.530 176.117 0.065 0.000 1.168 51 I CA -1.799 59.532 61.300 0.052 0.000 1.424 51 I CB 0.045 38.076 38.000 0.052 0.000 1.377 51 I HN 0.047 nan 8.210 nan 0.000 0.560 52 P HA 0.340 nan 4.420 nan 0.000 0.277 52 P C -2.544 174.694 177.300 -0.103 0.000 1.271 52 P CA -1.145 61.943 63.100 -0.020 0.000 0.795 52 P CB 0.001 31.682 31.700 -0.031 0.000 1.101 53 P HA 0.296 nan 4.420 nan 0.000 0.297 53 P C -1.159 175.871 177.300 -0.450 0.000 1.307 53 P CA -0.402 62.294 63.100 -0.674 0.000 0.773 53 P CB 0.361 31.238 31.700 -1.372 0.000 1.265 54 L N 0.187 121.026 121.223 -0.640 0.000 2.277 54 L HA 0.328 4.690 4.340 0.036 0.000 0.284 54 L C -0.110 176.375 176.870 -0.642 0.000 1.028 54 L CA -0.163 54.231 54.840 -0.743 0.000 0.835 54 L CB -0.406 40.828 42.059 -1.375 0.000 1.215 54 L HN 0.212 nan 8.230 nan 0.000 0.425 55 E N 5.012 124.928 120.200 -0.474 0.000 2.257 55 E HA 0.104 4.476 4.350 0.036 0.000 0.278 55 E C 0.328 176.681 176.600 -0.411 0.000 1.049 55 E CA 0.024 56.200 56.400 -0.374 0.000 0.876 55 E CB 1.097 30.642 29.700 -0.258 0.000 1.035 55 E HN 0.746 nan 8.360 nan 0.000 0.419 56 L N 2.724 123.722 121.223 -0.375 0.000 2.664 56 L HA 0.148 4.510 4.340 0.036 0.000 0.233 56 L C 1.348 178.086 176.870 -0.220 0.000 1.113 56 L CA 0.264 54.892 54.840 -0.353 0.000 0.896 56 L CB -0.202 41.640 42.059 -0.361 0.000 1.163 56 L HN 0.838 nan 8.230 nan 0.000 0.497 57 G N 2.361 111.051 108.800 -0.183 0.000 2.634 57 G HA2 -0.411 3.571 3.960 0.036 0.000 0.309 57 G HA3 -0.411 3.571 3.960 0.036 0.000 0.309 57 G C 0.174 175.012 174.900 -0.104 0.000 1.265 57 G CA 0.636 45.661 45.100 -0.125 0.000 0.998 57 G HN 0.536 nan 8.290 nan 0.000 0.551 58 D N 0.215 120.569 120.400 -0.078 0.000 2.434 58 D HA 0.357 5.019 4.640 0.036 0.000 0.232 58 D C 0.680 176.948 176.300 -0.053 0.000 1.166 58 D CA -0.030 53.935 54.000 -0.059 0.000 0.830 58 D CB -0.550 40.225 40.800 -0.042 0.000 0.960 58 D HN 0.518 nan 8.370 nan 0.000 0.497 59 c N 0.412 118.969 118.600 -0.071 0.000 2.349 59 c HA 0.771 5.362 4.570 0.036 0.000 0.361 59 c C 0.615 174.671 174.090 -0.056 0.000 1.189 59 c CA -0.572 55.726 56.329 -0.052 0.000 2.155 59 c CB 1.254 43.732 42.510 -0.053 0.000 2.336 59 c HN 0.505 nan 8.230 nan 0.000 0.540 60 S N 1.121 116.811 115.700 -0.017 0.000 2.607 60 S HA 0.523 5.014 4.470 0.036 0.000 0.303 60 S C 0.854 175.475 174.600 0.036 0.000 1.086 60 S CA -0.637 57.562 58.200 -0.003 0.000 0.995 60 S CB 0.625 63.840 63.200 0.024 0.000 1.084 60 S HN 0.616 nan 8.310 nan 0.000 0.507 61 I N 1.210 121.808 120.570 0.047 0.000 2.264 61 I HA -0.215 3.977 4.170 0.036 0.000 0.248 61 I C 2.814 178.956 176.117 0.042 0.000 1.111 61 I CA 1.805 63.163 61.300 0.097 0.000 1.382 61 I CB -1.132 36.858 38.000 -0.017 0.000 1.060 61 I HN 0.889 nan 8.210 nan 0.000 0.418 62 A N 1.029 123.827 122.820 -0.037 0.000 1.877 62 A HA -0.124 4.218 4.320 0.036 0.000 0.216 62 A C 2.476 179.964 177.584 -0.160 0.000 1.186 62 A CA 1.876 53.767 52.037 -0.244 0.000 0.620 62 A CB -1.376 17.346 19.000 -0.463 0.000 0.822 62 A HN 0.440 nan 8.150 nan 0.000 0.443 63 G N -1.396 107.371 108.800 -0.056 0.000 2.440 63 G HA2 -0.298 3.684 3.960 0.036 0.000 0.218 63 G HA3 -0.298 3.684 3.960 0.036 0.000 0.218 63 G C 1.373 176.314 174.900 0.069 0.000 1.154 63 G CA 1.264 46.373 45.100 0.016 0.000 0.767 63 G HN 0.713 nan 8.290 nan 0.000 0.552 64 W N 1.299 122.527 121.300 -0.120 0.000 2.353 64 W HA 0.049 4.729 4.660 0.034 0.000 0.319 64 W C 2.251 178.719 176.519 -0.085 0.000 1.207 64 W CA 1.254 58.530 57.345 -0.114 0.000 1.291 64 W CB -0.709 28.642 29.460 -0.181 0.000 1.159 64 W HN 0.124 nan 8.180 nan 0.000 0.478 65 L N 0.292 121.235 121.223 -0.466 0.000 2.141 65 L HA -0.179 4.183 4.340 0.036 0.000 0.209 65 L C 2.544 179.253 176.870 -0.269 0.000 1.094 65 L CA 0.930 55.357 54.840 -0.689 0.000 0.763 65 L CB -0.822 40.790 42.059 -0.746 0.000 0.908 65 L HN 0.066 nan 8.230 nan 0.000 0.437 66 L N -0.484 120.566 121.223 -0.288 0.000 2.179 66 L HA 0.021 4.383 4.340 0.036 0.000 0.208 66 L C 1.417 178.226 176.870 -0.103 0.000 1.096 66 L CA 0.929 55.538 54.840 -0.385 0.000 0.779 66 L CB -0.498 40.955 42.059 -1.010 0.000 0.922 66 L HN 0.525 nan 8.230 nan 0.000 0.443 67 G N 0.544 109.346 108.800 0.003 0.000 2.141 67 G HA2 -0.253 3.729 3.960 0.036 0.000 0.195 67 G HA3 -0.253 3.729 3.960 0.036 0.000 0.195 67 G C 0.100 175.098 174.900 0.163 0.000 1.012 67 G CA 0.012 45.166 45.100 0.090 0.000 0.696 67 G HN 0.361 nan 8.290 nan 0.000 0.508 68 N N 0.720 119.577 118.700 0.262 0.000 2.132 68 N HA 0.022 4.784 4.740 0.036 0.000 0.280 68 N C -0.453 175.077 175.510 0.033 0.000 1.318 68 N CA -0.276 52.864 53.050 0.150 0.000 0.822 68 N CB 0.848 39.428 38.487 0.156 0.000 1.058 68 N HN 0.150 nan 8.380 nan 0.000 0.489 69 P HA -0.097 nan 4.420 nan 0.000 0.222 69 P C 0.541 177.806 177.300 -0.059 0.000 1.142 69 P CA 1.070 64.140 63.100 -0.050 0.000 0.788 69 P CB 0.311 31.960 31.700 -0.086 0.000 0.767 70 E N -1.992 118.181 120.200 -0.045 0.000 2.435 70 E HA -0.021 4.351 4.350 0.036 0.000 0.195 70 E C 0.885 177.472 176.600 -0.021 0.000 1.029 70 E CA 0.469 56.841 56.400 -0.046 0.000 0.865 70 E CB -0.645 29.031 29.700 -0.039 0.000 0.833 70 E HN 0.170 nan 8.360 nan 0.000 0.510 71 c N 0.843 119.448 118.600 0.010 0.000 2.855 71 c HA 0.161 4.752 4.570 0.036 0.000 0.279 71 c C 1.405 175.523 174.090 0.047 0.000 1.270 71 c CA -0.731 55.619 56.329 0.035 0.000 1.702 71 c CB -0.475 42.087 42.510 0.087 0.000 1.949 71 c HN 0.358 nan 8.230 nan 0.000 0.618 72 D N 2.297 122.711 120.400 0.024 0.000 2.116 72 D HA -0.122 4.539 4.640 0.036 0.000 0.193 72 D C 1.571 177.889 176.300 0.030 0.000 0.998 72 D CA 1.116 55.133 54.000 0.029 0.000 0.836 72 D CB -0.251 40.552 40.800 0.005 0.000 0.951 72 D HN 0.535 nan 8.370 nan 0.000 0.449 73 R N 1.195 121.701 120.500 0.010 0.000 4.559 73 R HA 0.186 4.548 4.340 0.036 0.000 0.177 73 R C -0.118 176.176 176.300 -0.011 0.000 1.875 73 R CA 0.097 56.199 56.100 0.003 0.000 1.509 73 R CB -0.803 29.494 30.300 -0.006 0.000 1.395 73 R HN 0.224 nan 8.270 nan 0.000 0.830 74 L N 1.072 122.298 121.223 0.005 0.000 2.362 74 L HA 0.597 4.959 4.340 0.036 0.000 0.271 74 L C -0.236 176.630 176.870 -0.007 0.000 1.002 74 L CA -0.895 53.926 54.840 -0.032 0.000 0.818 74 L CB 2.101 44.136 42.059 -0.039 0.000 1.298 74 L HN 0.258 nan 8.230 nan 0.000 0.420 75 L N 1.189 122.382 121.223 -0.049 0.000 2.280 75 L HA 0.683 5.045 4.340 0.036 0.000 0.287 75 L C 0.469 177.323 176.870 -0.025 0.000 1.023 75 L CA -0.542 54.290 54.840 -0.014 0.000 0.819 75 L CB 0.918 42.963 42.059 -0.023 0.000 1.212 75 L HN 0.683 nan 8.230 nan 0.000 0.420 76 T N 1.016 115.615 114.554 0.076 0.000 3.254 76 T HA 0.457 4.829 4.350 0.036 0.000 0.385 76 T C 0.091 174.935 174.700 0.241 0.000 1.528 76 T CA -0.315 61.877 62.100 0.155 0.000 1.212 76 T CB 0.270 69.358 68.868 0.365 0.000 1.145 76 T HN 1.517 nan 8.240 nan 0.000 0.631 77 V N 4.910 124.933 119.914 0.182 0.000 2.555 77 V HA 0.101 4.242 4.120 0.036 0.000 0.299 77 V C -1.242 175.044 176.094 0.320 0.000 1.012 77 V CA -1.104 61.318 62.300 0.202 0.000 1.180 77 V CB 0.652 32.560 31.823 0.143 0.000 0.887 77 V HN 0.489 nan 8.190 nan 0.000 0.476 78 P HA -0.128 nan 4.420 nan 0.000 0.221 78 P C 0.137 177.500 177.300 0.105 0.000 1.141 78 P CA 1.239 64.509 63.100 0.282 0.000 0.794 78 P CB 0.199 32.088 31.700 0.315 0.000 0.764 79 E N -0.413 119.825 120.200 0.062 0.000 2.246 79 E HA 0.354 4.726 4.350 0.036 0.000 0.266 79 E C -1.387 175.207 176.600 -0.010 0.000 0.880 79 E CA -1.054 55.267 56.400 -0.131 0.000 0.762 79 E CB 1.090 30.759 29.700 -0.052 0.000 1.180 79 E HN -0.046 nan 8.360 nan 0.000 0.416 80 W N 2.685 123.962 121.300 -0.038 0.000 2.975 80 W HA 0.518 5.198 4.660 0.033 0.000 0.342 80 W C 0.373 176.854 176.519 -0.065 0.000 1.168 80 W CA -0.434 56.853 57.345 -0.097 0.000 1.141 80 W CB 0.448 29.795 29.460 -0.189 0.000 1.445 80 W HN 0.322 nan 8.180 nan 0.000 0.560 81 S N -0.113 115.726 115.700 0.231 0.000 2.506 81 S HA 0.267 4.759 4.470 0.036 0.000 0.230 81 S C 0.001 174.831 174.600 0.383 0.000 1.066 81 S CA 0.717 59.058 58.200 0.235 0.000 0.940 81 S CB -0.597 62.760 63.200 0.262 0.000 0.818 81 S HN 0.789 nan 8.310 nan 0.000 0.518 82 Y N -0.636 119.771 120.300 0.180 0.000 2.644 82 Y HA 0.823 5.394 4.550 0.035 0.000 0.338 82 Y C -1.267 174.587 175.900 -0.076 0.000 1.119 82 Y CA -1.858 56.293 58.100 0.084 0.000 1.060 82 Y CB 0.978 39.450 38.460 0.020 0.000 1.294 82 Y HN -0.006 nan 8.280 nan 0.000 0.472 83 I N 2.982 123.478 120.570 -0.123 0.000 2.433 83 I HA 0.383 4.575 4.170 0.036 0.000 0.292 83 I C -0.797 175.177 176.117 -0.239 0.000 1.001 83 I CA -1.018 60.042 61.300 -0.400 0.000 1.119 83 I CB 1.956 39.679 38.000 -0.461 0.000 1.289 83 I HN 0.576 nan 8.210 nan 0.000 0.438 84 M N 6.078 125.482 119.600 -0.325 0.000 2.055 84 M HA 0.367 4.869 4.480 0.036 0.000 0.347 84 M C -0.463 175.706 176.300 -0.218 0.000 1.123 84 M CA -0.107 55.077 55.300 -0.194 0.000 1.035 84 M CB 1.030 33.520 32.600 -0.183 0.000 1.484 84 M HN 0.485 nan 8.290 nan 0.000 0.428 85 E N 2.652 122.752 120.200 -0.166 0.000 2.210 85 E HA 0.362 4.733 4.350 0.036 0.000 0.266 85 E C -1.004 175.531 176.600 -0.108 0.000 0.883 85 E CA -0.759 55.547 56.400 -0.157 0.000 0.761 85 E CB 1.883 31.488 29.700 -0.158 0.000 1.156 85 E HN 0.415 nan 8.360 nan 0.000 0.412 86 K N 1.720 122.063 120.400 -0.094 0.000 2.344 86 K HA -0.092 4.250 4.320 0.036 0.000 0.260 86 K C 0.880 177.448 176.600 -0.052 0.000 0.988 86 K CA 0.299 56.546 56.287 -0.067 0.000 0.909 86 K CB 0.477 32.943 32.500 -0.057 0.000 0.968 86 K HN 0.447 nan 8.250 nan 0.000 0.505 87 E N 1.116 121.293 120.200 -0.038 0.000 2.031 87 E HA -0.141 4.231 4.350 0.036 0.000 0.193 87 E C -0.482 176.109 176.600 -0.015 0.000 0.994 87 E CA 1.669 58.054 56.400 -0.024 0.000 0.800 87 E CB 0.087 29.778 29.700 -0.014 0.000 0.752 87 E HN 0.511 nan 8.360 nan 0.000 0.447 88 N N 0.833 119.525 118.700 -0.012 0.000 2.746 88 N HA 0.291 5.053 4.740 0.036 0.000 0.250 88 N C -2.710 172.794 175.510 -0.009 0.000 1.146 88 N CA -1.212 51.835 53.050 -0.004 0.000 0.828 88 N CB 1.615 40.104 38.487 0.003 0.000 1.158 88 N HN 0.015 nan 8.380 nan 0.000 0.519 89 P HA 0.104 nan 4.420 nan 0.000 0.267 89 P C 0.596 177.891 177.300 -0.009 0.000 1.200 89 P CA -0.119 62.969 63.100 -0.019 0.000 0.772 89 P CB 1.272 32.960 31.700 -0.021 0.000 0.855 90 R N 1.174 121.667 120.500 -0.012 0.000 2.075 90 R HA 0.000 4.362 4.340 0.036 0.000 0.226 90 R C 0.177 176.477 176.300 -0.000 0.000 1.114 90 R CA 0.977 57.073 56.100 -0.006 0.000 0.972 90 R CB -0.318 29.976 30.300 -0.010 0.000 0.869 90 R HN 0.554 nan 8.270 nan 0.000 0.437 91 N N 0.844 119.542 118.700 -0.003 0.000 2.918 91 N HA 0.140 4.901 4.740 0.036 0.000 0.247 91 N C -0.210 175.313 175.510 0.021 0.000 1.117 91 N CA -0.588 52.466 53.050 0.008 0.000 1.005 91 N CB 1.545 40.032 38.487 0.000 0.000 1.297 91 N HN 0.190 nan 8.380 nan 0.000 0.513 92 G N 0.730 109.548 108.800 0.030 0.000 3.441 92 G HA2 0.284 4.266 3.960 0.036 0.000 0.195 92 G HA3 0.284 4.266 3.960 0.036 0.000 0.195 92 G C -0.040 174.903 174.900 0.072 0.000 1.633 92 G CA -0.587 44.528 45.100 0.025 0.000 0.895 92 G HN 0.293 nan 8.290 nan 0.000 0.654 93 L N 2.353 123.619 121.223 0.071 0.000 2.515 93 L HA 0.095 4.457 4.340 0.036 0.000 0.281 93 L C 1.953 178.972 176.870 0.247 0.000 1.131 93 L CA -0.795 54.170 54.840 0.208 0.000 0.905 93 L CB 0.344 42.505 42.059 0.169 0.000 1.246 93 L HN 0.677 nan 8.230 nan 0.000 0.463 94 c N 1.753 120.508 118.600 0.259 0.000 2.453 94 c HA -0.151 4.441 4.570 0.036 0.000 0.277 94 c C 1.277 175.416 174.090 0.081 0.000 1.262 94 c CA -0.191 56.176 56.329 0.064 0.000 1.718 94 c CB -0.866 41.590 42.510 -0.090 0.000 2.031 94 c HN 0.637 nan 8.230 nan 0.000 0.480 95 Y N 4.061 124.381 120.300 0.032 0.000 2.402 95 Y HA 0.430 5.001 4.550 0.036 0.000 0.333 95 Y C -2.198 173.843 175.900 0.236 0.000 1.076 95 Y CA -2.299 55.886 58.100 0.143 0.000 1.299 95 Y CB 0.335 38.899 38.460 0.173 0.000 1.197 95 Y HN 0.176 nan 8.280 nan 0.000 0.517 96 P HA 0.298 nan 4.420 nan 0.000 0.268 96 P C -0.104 177.366 177.300 0.284 0.000 1.208 96 P CA 0.586 63.754 63.100 0.114 0.000 0.777 96 P CB 0.921 32.598 31.700 -0.039 0.000 0.875 97 G N -0.135 108.789 108.800 0.207 0.000 2.441 97 G HA2 0.435 4.417 3.960 0.036 0.000 0.222 97 G HA3 0.435 4.417 3.960 0.036 0.000 0.222 97 G C -1.355 173.635 174.900 0.150 0.000 1.254 97 G CA 0.063 45.281 45.100 0.195 0.000 0.959 97 G HN 0.728 nan 8.290 nan 0.000 0.474 98 S N -1.358 114.430 115.700 0.147 0.000 2.618 98 S HA 0.821 5.313 4.470 0.036 0.000 0.277 98 S C -1.817 172.884 174.600 0.168 0.000 1.138 98 S CA -0.698 57.580 58.200 0.129 0.000 0.844 98 S CB 2.553 65.808 63.200 0.091 0.000 1.127 98 S HN 1.506 nan 8.310 nan 0.000 0.474 99 F N 1.866 121.809 119.950 -0.013 0.000 2.507 99 F HA 0.532 5.080 4.527 0.034 0.000 0.328 99 F C -0.695 175.151 175.800 0.077 0.000 1.136 99 F CA -0.976 57.009 58.000 -0.025 0.000 0.930 99 F CB 1.636 40.439 39.000 -0.329 0.000 1.166 99 F HN 0.630 nan 8.300 nan 0.000 0.436 100 N N 4.855 123.784 118.700 0.382 0.000 2.488 100 N HA 0.140 4.901 4.740 0.036 0.000 0.274 100 N C -0.609 175.216 175.510 0.524 0.000 1.111 100 N CA 0.292 53.529 53.050 0.311 0.000 0.974 100 N CB 0.681 39.212 38.487 0.074 0.000 1.089 100 N HN 0.591 nan 8.380 nan 0.000 0.465 101 D N 1.141 121.777 120.400 0.394 0.000 2.699 101 D HA -0.251 4.411 4.640 0.036 0.000 0.239 101 D C 0.634 177.295 176.300 0.602 0.000 1.136 101 D CA 0.481 54.751 54.000 0.450 0.000 0.668 101 D CB -0.900 40.133 40.800 0.389 0.000 1.060 101 D HN 0.587 nan 8.370 nan 0.000 0.429 102 Y N 0.739 121.184 120.300 0.243 0.000 2.200 102 Y HA -0.128 4.445 4.550 0.038 0.000 0.290 102 Y C 2.024 177.853 175.900 -0.119 0.000 1.137 102 Y CA 2.066 60.138 58.100 -0.048 0.000 1.163 102 Y CB 0.092 38.483 38.460 -0.116 0.000 0.988 102 Y HN 0.016 nan 8.280 nan 0.000 0.518 103 E N 0.246 120.384 120.200 -0.102 0.000 2.051 103 E HA -0.163 4.209 4.350 0.036 0.000 0.192 103 E C 2.104 178.631 176.600 -0.122 0.000 0.991 103 E CA 1.477 57.739 56.400 -0.229 0.000 0.799 103 E CB -0.286 29.328 29.700 -0.144 0.000 0.748 103 E HN 0.368 nan 8.360 nan 0.000 0.449 104 E N 0.066 120.296 120.200 0.051 0.000 2.209 104 E HA -0.188 4.184 4.350 0.036 0.000 0.196 104 E C 2.001 178.686 176.600 0.142 0.000 0.993 104 E CA 0.622 57.120 56.400 0.163 0.000 0.819 104 E CB -0.106 29.777 29.700 0.305 0.000 0.745 104 E HN 0.176 nan 8.360 nan 0.000 0.477 105 L N 1.016 122.199 121.223 -0.065 0.000 2.127 105 L HA -0.047 4.314 4.340 0.036 0.000 0.203 105 L C 2.062 178.677 176.870 -0.424 0.000 1.080 105 L CA 1.602 56.098 54.840 -0.573 0.000 0.768 105 L CB -0.200 41.188 42.059 -1.118 0.000 0.924 105 L HN -0.155 nan 8.230 nan 0.000 0.444 106 K N -1.075 119.065 120.400 -0.433 0.000 2.044 106 K HA -0.269 4.072 4.320 0.036 0.000 0.210 106 K C 2.316 178.790 176.600 -0.211 0.000 1.049 106 K CA 1.869 57.921 56.287 -0.392 0.000 0.927 106 K CB -0.462 31.736 32.500 -0.503 0.000 0.713 106 K HN 0.499 nan 8.250 nan 0.000 0.443 107 H N 0.593 119.532 119.070 -0.218 0.000 2.321 107 H HA -0.154 4.429 4.556 0.045 0.000 0.300 107 H C 2.187 177.468 175.328 -0.078 0.000 1.087 107 H CA 1.828 57.798 56.048 -0.129 0.000 1.319 107 H CB -0.115 29.587 29.762 -0.101 0.000 1.379 107 H HN 0.113 nan 8.280 nan 0.000 0.501 108 L N 2.340 123.544 121.223 -0.031 0.000 2.013 108 L HA -0.182 4.180 4.340 0.036 0.000 0.212 108 L C 2.153 178.956 176.870 -0.110 0.000 1.073 108 L CA 2.017 56.829 54.840 -0.047 0.000 0.753 108 L CB -0.820 41.245 42.059 0.009 0.000 0.890 108 L HN 0.479 nan 8.230 nan 0.000 0.432 109 I N -3.257 117.232 120.570 -0.134 0.000 3.780 109 I HA 0.135 4.327 4.170 0.036 0.000 0.312 109 I C 1.666 177.785 176.117 0.002 0.000 1.377 109 I CA 0.049 61.310 61.300 -0.065 0.000 1.224 109 I CB -0.535 37.408 38.000 -0.095 0.000 1.110 109 I HN 0.065 nan 8.210 nan 0.000 0.418 110 S N 1.604 117.254 115.700 -0.083 0.000 2.351 110 S HA -0.110 4.382 4.470 0.036 0.000 0.220 110 S C 1.079 175.751 174.600 0.120 0.000 1.035 110 S CA 1.782 59.958 58.200 -0.040 0.000 1.031 110 S CB -0.087 63.011 63.200 -0.170 0.000 0.928 110 S HN 0.848 nan 8.310 nan 0.000 0.433 111 S N 0.119 115.830 115.700 0.018 0.000 2.548 111 S HA 0.745 5.237 4.470 0.036 0.000 0.286 111 S C -0.647 173.807 174.600 -0.244 0.000 1.098 111 S CA -0.790 57.373 58.200 -0.062 0.000 0.930 111 S CB 2.072 65.228 63.200 -0.073 0.000 1.070 111 S HN 0.437 nan 8.310 nan 0.000 0.480 112 V N -1.978 117.590 119.914 -0.577 0.000 3.130 112 V HA 0.987 5.129 4.120 0.036 0.000 0.310 112 V C -0.441 175.391 176.094 -0.436 0.000 1.158 112 V CA -0.211 61.765 62.300 -0.540 0.000 1.029 112 V CB 1.482 32.804 31.823 -0.836 0.000 1.057 112 V HN 1.390 nan 8.190 nan 0.000 0.436 113 T N 1.673 116.099 114.554 -0.214 0.000 3.834 113 T HA 0.281 4.653 4.350 0.036 0.000 0.201 113 T C -0.702 174.032 174.700 0.058 0.000 0.626 113 T CA -0.011 62.036 62.100 -0.088 0.000 1.298 113 T CB -0.832 67.975 68.868 -0.101 0.000 1.064 113 T HN 1.700 nan 8.240 nan 0.000 0.564 114 H N 1.184 120.210 119.070 -0.073 0.000 3.247 114 H HA 0.850 5.428 4.556 0.036 0.000 0.262 114 H C -1.603 173.731 175.328 0.011 0.000 1.646 114 H CA -1.809 54.194 56.048 -0.076 0.000 1.600 114 H CB 0.780 30.524 29.762 -0.030 0.000 1.635 114 H HN 0.340 nan 8.280 nan 0.000 0.915 115 F N 0.503 120.110 119.950 -0.571 0.000 2.831 115 F HA 0.302 4.849 4.527 0.034 0.000 0.346 115 F C -1.147 174.497 175.800 -0.259 0.000 1.224 115 F CA -0.390 57.364 58.000 -0.410 0.000 1.048 115 F CB 1.234 40.093 39.000 -0.234 0.000 1.339 115 F HN 0.772 nan 8.300 nan 0.000 0.514 116 E N 5.964 125.789 120.200 -0.625 0.000 2.256 116 E HA 0.288 4.660 4.350 0.036 0.000 0.268 116 E C -1.575 174.852 176.600 -0.288 0.000 0.877 116 E CA -0.944 55.291 56.400 -0.274 0.000 0.757 116 E CB 1.826 31.461 29.700 -0.108 0.000 1.183 116 E HN 0.630 nan 8.360 nan 0.000 0.418 117 K N 3.238 123.529 120.400 -0.182 0.000 2.249 117 K HA 0.334 4.675 4.320 0.036 0.000 0.280 117 K C -0.698 175.802 176.600 -0.166 0.000 1.033 117 K CA -0.555 55.534 56.287 -0.331 0.000 0.946 117 K CB 1.109 33.390 32.500 -0.365 0.000 1.005 117 K HN 0.353 nan 8.250 nan 0.000 0.469 118 V N 0.919 120.729 119.914 -0.174 0.000 2.789 118 V HA 0.449 4.591 4.120 0.036 0.000 0.311 118 V C -0.885 175.171 176.094 -0.063 0.000 1.073 118 V CA -1.093 61.174 62.300 -0.054 0.000 0.921 118 V CB 1.665 33.445 31.823 -0.071 0.000 1.009 118 V HN 0.807 nan 8.190 nan 0.000 0.426 119 K N 3.310 123.657 120.400 -0.089 0.000 2.383 119 K HA 0.406 4.748 4.320 0.036 0.000 0.286 119 K C 0.699 177.145 176.600 -0.257 0.000 1.051 119 K CA 0.275 56.328 56.287 -0.391 0.000 0.974 119 K CB 0.834 33.112 32.500 -0.370 0.000 0.968 119 K HN 0.903 nan 8.250 nan 0.000 0.475 120 I N 1.726 122.107 120.570 -0.315 0.000 4.032 120 I HA 0.142 4.334 4.170 0.036 0.000 0.313 120 I C -0.064 176.016 176.117 -0.062 0.000 1.272 120 I CA -0.135 61.013 61.300 -0.253 0.000 1.307 120 I CB 0.473 38.057 38.000 -0.694 0.000 1.155 120 I HN 0.324 nan 8.210 nan 0.000 0.431 121 L N 3.433 124.587 121.223 -0.114 0.000 2.502 121 L HA 0.551 4.913 4.340 0.036 0.000 0.249 121 L C -2.547 174.246 176.870 -0.127 0.000 1.446 121 L CA -1.603 53.191 54.840 -0.078 0.000 0.887 121 L CB 0.721 42.816 42.059 0.059 0.000 1.126 121 L HN -0.116 nan 8.230 nan 0.000 0.509 122 P HA -0.129 nan 4.420 nan 0.000 0.261 122 P C 0.746 177.997 177.300 -0.083 0.000 1.158 122 P CA 0.524 63.533 63.100 -0.152 0.000 0.758 122 P CB 0.777 32.398 31.700 -0.132 0.000 0.763 123 K N 2.978 123.384 120.400 0.010 0.000 2.103 123 K HA -0.220 4.122 4.320 0.036 0.000 0.207 123 K C 0.851 177.555 176.600 0.173 0.000 1.048 123 K CA 2.116 58.498 56.287 0.157 0.000 0.930 123 K CB -0.169 32.416 32.500 0.141 0.000 0.716 123 K HN 0.548 nan 8.250 nan 0.000 0.444 124 D N -1.041 119.395 120.400 0.060 0.000 2.328 124 D HA -0.070 4.591 4.640 0.036 0.000 0.226 124 D C 1.271 177.566 176.300 -0.008 0.000 1.066 124 D CA 0.176 54.206 54.000 0.050 0.000 0.861 124 D CB 0.024 40.840 40.800 0.028 0.000 0.912 124 D HN 0.070 nan 8.370 nan 0.000 0.521 125 R N -0.397 120.030 120.500 -0.121 0.000 2.334 125 R HA 0.162 4.524 4.340 0.036 0.000 0.220 125 R C -0.321 175.797 176.300 -0.304 0.000 0.917 125 R CA -0.276 55.679 56.100 -0.241 0.000 1.073 125 R CB -0.022 30.068 30.300 -0.350 0.000 1.056 125 R HN 0.176 nan 8.270 nan 0.000 0.506 126 W N 0.678 121.986 121.300 0.013 0.000 1.919 126 W HA 0.135 4.816 4.660 0.035 0.000 0.347 126 W C 1.358 177.902 176.519 0.042 0.000 0.698 126 W CA -0.465 56.904 57.345 0.040 0.000 2.240 126 W CB 0.626 30.100 29.460 0.022 0.000 2.021 126 W HN 0.063 nan 8.180 nan 0.000 0.527 127 T N -3.073 111.576 114.554 0.158 0.000 2.833 127 T HA -0.274 4.098 4.350 0.036 0.000 0.269 127 T C 1.366 176.083 174.700 0.029 0.000 1.054 127 T CA 1.244 63.388 62.100 0.072 0.000 1.135 127 T CB 0.045 68.924 68.868 0.019 0.000 0.869 127 T HN 0.354 nan 8.240 nan 0.000 0.466 128 Q N 0.338 120.149 119.800 0.018 0.000 2.444 128 Q HA 0.151 4.513 4.340 0.036 0.000 0.206 128 Q C -0.302 175.374 176.000 -0.540 0.000 0.948 128 Q CA 0.339 56.010 55.803 -0.221 0.000 0.946 128 Q CB 0.113 28.693 28.738 -0.263 0.000 1.027 128 Q HN 0.764 nan 8.270 nan 0.000 0.513 129 H N -1.802 117.230 119.070 -0.062 0.000 2.928 129 H HA 0.281 4.859 4.556 0.037 0.000 0.371 129 H C -0.768 174.496 175.328 -0.106 0.000 1.186 129 H CA -0.738 55.205 56.048 -0.175 0.000 1.134 129 H CB 1.524 31.087 29.762 -0.332 0.000 1.824 129 H HN -0.184 nan 8.280 nan 0.000 0.554 130 T N 1.603 116.148 114.554 -0.016 0.000 2.794 130 T HA 0.265 4.637 4.350 0.036 0.000 0.296 130 T C 0.401 175.062 174.700 -0.065 0.000 0.949 130 T CA -0.420 61.647 62.100 -0.054 0.000 1.101 130 T CB 0.158 68.959 68.868 -0.111 0.000 0.905 130 T HN 0.736 nan 8.240 nan 0.000 0.516 131 T N -1.031 113.506 114.554 -0.029 0.000 3.438 131 T HA 0.362 4.734 4.350 0.036 0.000 0.244 131 T C 0.971 175.662 174.700 -0.015 0.000 1.269 131 T CA -0.538 61.554 62.100 -0.013 0.000 1.371 131 T CB -0.271 68.649 68.868 0.086 0.000 1.002 131 T HN 0.654 nan 8.240 nan 0.000 0.637 132 T N -3.376 111.125 114.554 -0.088 0.000 3.131 132 T HA 0.379 4.751 4.350 0.036 0.000 0.283 132 T C 1.196 175.808 174.700 -0.146 0.000 0.906 132 T CA 0.189 62.246 62.100 -0.072 0.000 0.882 132 T CB -0.236 68.596 68.868 -0.060 0.000 1.208 132 T HN 0.581 nan 8.240 nan 0.000 0.561 133 G N 0.603 109.213 108.800 -0.317 0.000 2.272 133 G HA2 0.486 4.468 3.960 0.036 0.000 0.247 133 G HA3 0.486 4.468 3.960 0.036 0.000 0.247 133 G C 0.375 175.090 174.900 -0.309 0.000 1.272 133 G CA 0.138 44.915 45.100 -0.539 0.000 0.921 133 G HN 0.638 nan 8.290 nan 0.000 0.495 134 G N -0.238 108.481 108.800 -0.135 0.000 3.212 134 G HA2 0.737 4.719 3.960 0.036 0.000 0.188 134 G HA3 0.737 4.719 3.960 0.036 0.000 0.188 134 G C -0.681 174.381 174.900 0.271 0.000 1.254 134 G CA 0.086 45.286 45.100 0.167 0.000 0.957 134 G HN 1.209 nan 8.290 nan 0.000 0.596 135 S N -2.671 113.212 115.700 0.306 0.000 2.578 135 S HA 0.281 4.773 4.470 0.036 0.000 0.272 135 S C 0.255 174.967 174.600 0.187 0.000 1.145 135 S CA -0.349 58.032 58.200 0.302 0.000 0.835 135 S CB 1.566 65.108 63.200 0.570 0.000 1.104 135 S HN 0.383 nan 8.310 nan 0.000 0.458 136 Q N 1.572 121.452 119.800 0.132 0.000 2.181 136 Q HA 0.071 4.433 4.340 0.036 0.000 0.205 136 Q C 2.047 178.080 176.000 0.056 0.000 0.980 136 Q CA 2.239 58.087 55.803 0.075 0.000 0.862 136 Q CB -0.713 28.056 28.738 0.052 0.000 0.905 136 Q HN 0.862 nan 8.270 nan 0.000 0.429 137 G N -0.814 108.026 108.800 0.067 0.000 2.469 137 G HA2 -0.251 3.730 3.960 0.036 0.000 0.219 137 G HA3 -0.251 3.730 3.960 0.036 0.000 0.219 137 G C 0.725 175.629 174.900 0.006 0.000 1.150 137 G CA 1.141 46.248 45.100 0.013 0.000 0.763 137 G HN 0.447 nan 8.290 nan 0.000 0.561 138 c N 1.783 120.402 118.600 0.033 0.000 2.361 138 c HA 0.759 5.351 4.570 0.036 0.000 0.336 138 c C 1.260 175.340 174.090 -0.016 0.000 1.406 138 c CA -1.179 55.118 56.329 -0.054 0.000 1.763 138 c CB -1.471 40.941 42.510 -0.164 0.000 2.761 138 c HN 0.598 nan 8.230 nan 0.000 0.566 139 A N 0.682 123.500 122.820 -0.003 0.000 2.477 139 A HA 0.467 4.809 4.320 0.036 0.000 0.246 139 A C 0.937 178.494 177.584 -0.045 0.000 1.078 139 A CA 0.315 52.353 52.037 0.002 0.000 0.770 139 A CB 0.471 19.479 19.000 0.013 0.000 1.011 139 A HN 0.363 nan 8.150 nan 0.000 0.494 140 V N 1.342 121.231 119.914 -0.043 0.000 2.693 140 V HA 0.131 4.273 4.120 0.036 0.000 0.223 140 V C 0.630 176.613 176.094 -0.184 0.000 1.131 140 V CA 0.893 63.101 62.300 -0.154 0.000 1.177 140 V CB -0.468 31.291 31.823 -0.107 0.000 0.852 140 V HN 0.803 nan 8.190 nan 0.000 0.507 141 F N 0.784 120.748 119.950 0.023 0.000 2.850 141 F HA 0.405 4.954 4.527 0.037 0.000 0.329 141 F C -0.623 175.187 175.800 0.016 0.000 1.182 141 F CA -1.296 56.715 58.000 0.018 0.000 1.270 141 F CB 0.007 39.018 39.000 0.019 0.000 0.979 141 F HN 0.238 nan 8.300 nan 0.000 0.506 142 D N 0.148 120.662 120.400 0.190 0.000 2.432 142 D HA 0.226 4.888 4.640 0.036 0.000 0.265 142 D C -0.432 175.918 176.300 0.083 0.000 1.160 142 D CA -0.205 53.863 54.000 0.113 0.000 0.911 142 D CB 0.283 41.128 40.800 0.075 0.000 1.052 142 D HN 0.172 nan 8.370 nan 0.000 0.508 143 N N 1.437 120.189 118.700 0.086 0.000 2.472 143 N HA 0.416 5.178 4.740 0.036 0.000 0.289 143 N C -2.579 172.968 175.510 0.061 0.000 1.156 143 N CA -1.988 51.104 53.050 0.069 0.000 0.940 143 N CB 1.334 39.865 38.487 0.074 0.000 1.200 143 N HN -0.061 nan 8.380 nan 0.000 0.511 144 P HA -0.036 nan 4.420 nan 0.000 0.258 144 P C -0.693 176.662 177.300 0.092 0.000 1.172 144 P CA 0.750 63.895 63.100 0.075 0.000 0.762 144 P CB 0.597 32.329 31.700 0.052 0.000 0.764 145 S N 2.783 118.557 115.700 0.124 0.000 2.911 145 S HA 0.834 5.326 4.470 0.036 0.000 0.319 145 S C -1.651 173.109 174.600 0.267 0.000 1.154 145 S CA -0.419 57.871 58.200 0.150 0.000 0.857 145 S CB 0.626 63.873 63.200 0.079 0.000 1.279 145 S HN 0.215 nan 8.310 nan 0.000 0.593 146 F N 0.108 120.055 119.950 -0.006 0.000 2.741 146 F HA 0.580 5.129 4.527 0.036 0.000 0.313 146 F C -1.689 174.057 175.800 -0.089 0.000 1.153 146 F CA -1.472 56.490 58.000 -0.063 0.000 0.931 146 F CB 0.713 39.790 39.000 0.128 0.000 1.335 146 F HN 0.558 nan 8.300 nan 0.000 0.460 147 F N 4.435 124.036 119.950 -0.581 0.000 2.571 147 F HA 0.160 4.710 4.527 0.039 0.000 0.390 147 F C 1.649 177.416 175.800 -0.055 0.000 1.043 147 F CA -0.006 57.783 58.000 -0.351 0.000 1.164 147 F CB 0.115 38.792 39.000 -0.537 0.000 1.049 147 F HN 0.263 nan 8.300 nan 0.000 0.552 148 R N 1.940 122.527 120.500 0.144 0.000 2.139 148 R HA -0.198 4.164 4.340 0.036 0.000 0.243 148 R C 1.107 177.516 176.300 0.182 0.000 1.145 148 R CA 1.156 57.343 56.100 0.143 0.000 0.976 148 R CB -0.413 29.929 30.300 0.071 0.000 0.866 148 R HN 0.557 nan 8.270 nan 0.000 0.449 149 N N -0.474 118.322 118.700 0.161 0.000 2.353 149 N HA 0.060 4.822 4.740 0.036 0.000 0.185 149 N C 0.157 175.836 175.510 0.282 0.000 1.098 149 N CA 0.458 53.632 53.050 0.208 0.000 0.872 149 N CB 0.337 38.882 38.487 0.095 0.000 0.970 149 N HN 0.079 nan 8.380 nan 0.000 0.467 150 M N 0.166 119.939 119.600 0.288 0.000 2.664 150 M HA 0.424 4.926 4.480 0.036 0.000 0.314 150 M C -0.473 176.099 176.300 0.454 0.000 1.200 150 M CA -0.940 54.563 55.300 0.338 0.000 0.916 150 M CB 2.062 34.868 32.600 0.344 0.000 1.717 150 M HN -0.434 nan 8.290 nan 0.000 0.470 151 V N 1.529 121.650 119.914 0.346 0.000 2.409 151 V HA 0.257 4.398 4.120 0.036 0.000 0.290 151 V C -1.234 174.936 176.094 0.126 0.000 1.017 151 V CA -0.679 61.765 62.300 0.240 0.000 0.841 151 V CB 1.895 33.815 31.823 0.162 0.000 1.003 151 V HN 0.848 nan 8.190 nan 0.000 0.426 152 W N 7.192 128.363 121.300 -0.215 0.000 2.497 152 W HA 0.427 5.110 4.660 0.038 0.000 0.354 152 W C -0.375 175.970 176.519 -0.291 0.000 1.111 152 W CA -1.378 55.722 57.345 -0.408 0.000 1.510 152 W CB 0.367 29.293 29.460 -0.889 0.000 1.466 152 W HN 0.430 nan 8.180 nan 0.000 0.409 153 L N 7.333 128.624 121.223 0.114 0.000 2.418 153 L HA 0.182 4.544 4.340 0.036 0.000 0.274 153 L C 0.958 177.965 176.870 0.229 0.000 1.135 153 L CA 0.286 55.098 54.840 -0.047 0.000 0.870 153 L CB 0.033 41.868 42.059 -0.373 0.000 1.154 153 L HN 0.263 nan 8.230 nan 0.000 0.462 154 T N -0.037 114.540 114.554 0.039 0.000 2.930 154 T HA 0.388 4.760 4.350 0.036 0.000 0.290 154 T C -0.361 174.396 174.700 0.096 0.000 1.052 154 T CA -1.244 60.896 62.100 0.066 0.000 1.017 154 T CB 1.924 70.612 68.868 -0.299 0.000 1.137 154 T HN 0.562 nan 8.240 nan 0.000 0.511 155 K N 0.763 121.281 120.400 0.197 0.000 2.436 155 K HA 0.162 4.503 4.320 0.036 0.000 0.275 155 K C -0.273 176.305 176.600 -0.037 0.000 0.999 155 K CA -0.554 55.816 56.287 0.138 0.000 0.980 155 K CB 0.556 33.158 32.500 0.170 0.000 0.919 155 K HN 0.708 nan 8.250 nan 0.000 0.484 156 K N 2.615 122.956 120.400 -0.098 0.000 2.234 156 K HA 0.213 4.555 4.320 0.036 0.000 0.277 156 K C 0.662 177.214 176.600 -0.079 0.000 1.038 156 K CA 0.370 56.593 56.287 -0.107 0.000 0.888 156 K CB 0.704 33.112 32.500 -0.153 0.000 1.091 156 K HN 0.876 nan 8.250 nan 0.000 0.467 157 G N 2.885 111.645 108.800 -0.066 0.000 3.181 157 G HA2 -0.323 3.659 3.960 0.036 0.000 0.322 157 G HA3 -0.323 3.659 3.960 0.036 0.000 0.322 157 G C 0.318 175.193 174.900 -0.042 0.000 1.246 157 G CA 0.510 45.579 45.100 -0.052 0.000 0.989 157 G HN 0.612 nan 8.290 nan 0.000 0.607 158 S N 1.148 116.830 115.700 -0.031 0.000 2.825 158 S HA 0.405 4.897 4.470 0.036 0.000 0.242 158 S C -0.481 174.122 174.600 0.004 0.000 0.980 158 S CA -0.062 58.130 58.200 -0.013 0.000 1.107 158 S CB -0.107 63.086 63.200 -0.012 0.000 1.172 158 S HN 0.699 nan 8.310 nan 0.000 0.483 159 N N 0.707 119.406 118.700 -0.002 0.000 2.500 159 N HA 0.246 5.007 4.740 0.036 0.000 0.291 159 N C -1.878 173.644 175.510 0.019 0.000 1.092 159 N CA -0.199 52.858 53.050 0.011 0.000 0.890 159 N CB 1.206 39.674 38.487 -0.031 0.000 1.466 159 N HN 0.302 nan 8.380 nan 0.000 0.507 160 Y N 5.083 125.392 120.300 0.014 0.000 2.751 160 Y HA 0.356 4.928 4.550 0.036 0.000 0.333 160 Y C -2.112 173.850 175.900 0.103 0.000 1.122 160 Y CA -1.563 56.594 58.100 0.095 0.000 1.367 160 Y CB 0.499 39.045 38.460 0.145 0.000 1.242 160 Y HN 0.466 nan 8.280 nan 0.000 0.505 161 P HA -0.032 nan 4.420 nan 0.000 0.272 161 P C -0.532 176.966 177.300 0.330 0.000 1.240 161 P CA -0.287 62.874 63.100 0.101 0.000 0.791 161 P CB 0.736 32.377 31.700 -0.099 0.000 0.978 162 V N 0.962 121.017 119.914 0.236 0.000 2.506 162 V HA 0.054 4.196 4.120 0.036 0.000 0.296 162 V C 0.836 177.098 176.094 0.281 0.000 1.004 162 V CA 0.574 63.010 62.300 0.227 0.000 1.150 162 V CB -0.807 31.119 31.823 0.172 0.000 0.911 162 V HN 0.656 nan 8.190 nan 0.000 0.476 163 A N 7.468 130.410 122.820 0.204 0.000 2.320 163 A HA 0.580 4.922 4.320 0.036 0.000 0.287 163 A C 0.155 177.896 177.584 0.261 0.000 1.181 163 A CA -0.428 51.682 52.037 0.122 0.000 0.831 163 A CB 0.270 19.088 19.000 -0.303 0.000 1.102 163 A HN 0.812 nan 8.150 nan 0.000 0.513 164 K N 1.790 122.445 120.400 0.424 0.000 2.507 164 K HA 0.595 4.937 4.320 0.036 0.000 0.251 164 K C -0.328 176.463 176.600 0.319 0.000 0.943 164 K CA -0.399 56.086 56.287 0.329 0.000 0.794 164 K CB 2.571 35.188 32.500 0.195 0.000 1.188 164 K HN 0.879 nan 8.250 nan 0.000 0.428 165 G N 0.418 109.430 108.800 0.353 0.000 2.660 165 G HA2 0.668 4.650 3.960 0.036 0.000 0.294 165 G HA3 0.668 4.650 3.960 0.036 0.000 0.294 165 G C -1.244 173.799 174.900 0.237 0.000 1.369 165 G CA -0.637 44.594 45.100 0.219 0.000 0.912 165 G HN 0.528 nan 8.290 nan 0.000 0.479 166 S N -0.906 114.889 115.700 0.158 0.000 2.565 166 S HA 0.688 5.180 4.470 0.036 0.000 0.274 166 S C -1.816 172.890 174.600 0.176 0.000 1.144 166 S CA -0.867 57.420 58.200 0.145 0.000 0.849 166 S CB 1.708 64.944 63.200 0.060 0.000 1.103 166 S HN 1.669 nan 8.310 nan 0.000 0.455 167 Y N 1.929 122.249 120.300 0.033 0.000 2.433 167 Y HA 0.630 5.202 4.550 0.035 0.000 0.337 167 Y C -1.361 174.553 175.900 0.023 0.000 1.026 167 Y CA -0.596 57.522 58.100 0.029 0.000 1.037 167 Y CB 1.698 40.191 38.460 0.055 0.000 1.245 167 Y HN 0.906 nan 8.280 nan 0.000 0.443 168 N N 4.283 122.592 118.700 -0.652 0.000 2.419 168 N HA 0.119 4.881 4.740 0.036 0.000 0.277 168 N C -1.151 173.904 175.510 -0.758 0.000 1.006 168 N CA -0.297 52.482 53.050 -0.452 0.000 0.923 168 N CB 0.946 39.300 38.487 -0.221 0.000 1.140 168 N HN 0.816 nan 8.380 nan 0.000 0.488 169 N N 1.977 120.528 118.700 -0.248 0.000 2.605 169 N HA -0.016 4.746 4.740 0.036 0.000 0.282 169 N C 0.397 175.816 175.510 -0.152 0.000 1.206 169 N CA 0.077 53.098 53.050 -0.047 0.000 1.074 169 N CB -0.051 38.481 38.487 0.074 0.000 1.434 169 N HN 0.487 nan 8.380 nan 0.000 0.506 170 T N -1.967 112.512 114.554 -0.125 0.000 3.206 170 T HA 0.024 4.395 4.350 0.036 0.000 0.253 170 T C 1.398 176.046 174.700 -0.087 0.000 1.042 170 T CA 0.073 62.184 62.100 0.018 0.000 0.931 170 T CB -0.336 68.634 68.868 0.171 0.000 1.029 170 T HN 0.280 nan 8.240 nan 0.000 0.564 171 S N 0.282 115.907 115.700 -0.125 0.000 2.527 171 S HA 0.396 4.888 4.470 0.036 0.000 0.222 171 S C 2.110 176.632 174.600 -0.130 0.000 0.985 171 S CA 0.424 58.593 58.200 -0.051 0.000 0.921 171 S CB -0.590 62.627 63.200 0.029 0.000 0.772 171 S HN 1.112 nan 8.310 nan 0.000 0.529 172 G N 0.002 108.595 108.800 -0.345 0.000 2.241 172 G HA2 -0.238 3.743 3.960 0.036 0.000 0.244 172 G HA3 -0.238 3.743 3.960 0.036 0.000 0.244 172 G C -0.092 174.674 174.900 -0.224 0.000 0.998 172 G CA 0.299 45.218 45.100 -0.301 0.000 0.621 172 G HN 0.707 nan 8.290 nan 0.000 0.519 173 E N 0.214 120.315 120.200 -0.165 0.000 2.367 173 E HA 0.620 4.992 4.350 0.036 0.000 0.273 173 E C 0.188 176.736 176.600 -0.087 0.000 0.903 173 E CA -0.639 55.703 56.400 -0.097 0.000 0.764 173 E CB 0.934 30.624 29.700 -0.018 0.000 1.252 173 E HN 0.361 nan 8.360 nan 0.000 0.446 174 Q N 1.515 121.285 119.800 -0.049 0.000 2.354 174 Q HA 0.069 4.431 4.340 0.036 0.000 0.310 174 Q C -0.390 175.620 176.000 0.018 0.000 1.104 174 Q CA 0.871 56.670 55.803 -0.006 0.000 0.968 174 Q CB 0.523 29.281 28.738 0.033 0.000 1.251 174 Q HN 0.489 nan 8.270 nan 0.000 0.411 175 M N 2.876 122.510 119.600 0.057 0.000 2.326 175 M HA 0.341 4.843 4.480 0.036 0.000 0.306 175 M C -1.761 174.631 176.300 0.153 0.000 1.054 175 M CA -1.076 54.266 55.300 0.069 0.000 0.922 175 M CB 1.210 33.837 32.600 0.044 0.000 1.632 175 M HN 0.580 nan 8.290 nan 0.000 0.436 176 L N 6.745 128.081 121.223 0.188 0.000 2.319 176 L HA 0.592 4.954 4.340 0.036 0.000 0.280 176 L C -1.558 175.515 176.870 0.339 0.000 1.099 176 L CA 0.334 55.346 54.840 0.286 0.000 0.828 176 L CB 0.485 42.692 42.059 0.246 0.000 1.150 176 L HN 0.677 nan 8.230 nan 0.000 0.442 177 I N 6.400 127.205 120.570 0.392 0.000 2.533 177 I HA 0.412 4.604 4.170 0.036 0.000 0.290 177 I C -0.678 175.753 176.117 0.523 0.000 1.056 177 I CA -0.510 61.043 61.300 0.422 0.000 1.057 177 I CB 1.880 40.117 38.000 0.395 0.000 1.240 177 I HN 0.512 nan 8.210 nan 0.000 0.423 178 I N 4.988 125.827 120.570 0.448 0.000 2.493 178 I HA 0.490 4.682 4.170 0.036 0.000 0.298 178 I C -1.043 175.319 176.117 0.409 0.000 0.998 178 I CA -0.544 60.948 61.300 0.320 0.000 1.137 178 I CB 1.696 39.790 38.000 0.156 0.000 1.310 178 I HN 0.658 nan 8.210 nan 0.000 0.445 179 W N 3.929 125.340 121.300 0.184 0.000 3.029 179 W HA 0.882 5.562 4.660 0.034 0.000 0.339 179 W C -0.845 175.682 176.519 0.013 0.000 1.198 179 W CA -1.008 56.394 57.345 0.094 0.000 1.148 179 W CB 0.849 30.389 29.460 0.134 0.000 1.451 179 W HN 0.551 nan 8.180 nan 0.000 0.564 180 G N 0.276 109.108 108.800 0.053 0.000 2.537 180 G HA2 0.692 4.674 3.960 0.036 0.000 0.308 180 G HA3 0.692 4.674 3.960 0.036 0.000 0.308 180 G C -2.246 172.481 174.900 -0.287 0.000 1.237 180 G CA -1.168 43.663 45.100 -0.448 0.000 0.968 180 G HN 0.695 nan 8.290 nan 0.000 0.481 181 V N 0.939 120.570 119.914 -0.471 0.000 2.524 181 V HA 0.268 4.410 4.120 0.036 0.000 0.297 181 V C -0.791 174.912 176.094 -0.652 0.000 1.035 181 V CA -0.784 61.257 62.300 -0.432 0.000 0.867 181 V CB 1.359 32.991 31.823 -0.319 0.000 1.004 181 V HN 0.977 nan 8.190 nan 0.000 0.426 182 H N 4.710 123.404 119.070 -0.627 0.000 2.646 182 H HA 0.451 5.028 4.556 0.036 0.000 0.325 182 H C -0.464 174.579 175.328 -0.476 0.000 1.075 182 H CA -0.104 55.641 56.048 -0.506 0.000 1.421 182 H CB 0.655 30.234 29.762 -0.306 0.000 1.461 182 H HN 0.671 nan 8.280 nan 0.000 0.525 183 H N 6.650 125.350 119.070 -0.617 0.000 2.673 183 H HA 0.232 4.810 4.556 0.035 0.000 0.293 183 H C -2.459 172.601 175.328 -0.448 0.000 1.065 183 H CA -2.137 53.680 56.048 -0.386 0.000 1.236 183 H CB 1.021 30.666 29.762 -0.195 0.000 1.389 183 H HN 0.649 nan 8.280 nan 0.000 0.481 184 P HA 0.142 nan 4.420 nan 0.000 0.276 184 P C 0.525 177.888 177.300 0.105 0.000 1.261 184 P CA -0.455 62.711 63.100 0.110 0.000 0.800 184 P CB 1.358 33.245 31.700 0.311 0.000 1.066 185 N N -0.306 118.473 118.700 0.132 0.000 2.188 185 N HA -0.078 4.684 4.740 0.036 0.000 0.184 185 N C -0.060 175.493 175.510 0.072 0.000 1.018 185 N CA 1.251 54.355 53.050 0.092 0.000 0.858 185 N CB -0.210 38.334 38.487 0.094 0.000 0.989 185 N HN 0.615 nan 8.380 nan 0.000 0.426 186 D N -2.187 118.262 120.400 0.082 0.000 2.664 186 D HA 0.216 4.878 4.640 0.036 0.000 0.292 186 D C 0.109 176.450 176.300 0.069 0.000 1.214 186 D CA -0.670 53.368 54.000 0.063 0.000 0.932 186 D CB 0.623 41.454 40.800 0.051 0.000 1.420 186 D HN -0.312 nan 8.370 nan 0.000 0.471 187 E N -0.352 119.881 120.200 0.054 0.000 2.110 187 E HA -0.174 4.198 4.350 0.036 0.000 0.193 187 E C 1.873 178.505 176.600 0.052 0.000 0.988 187 E CA 2.070 58.502 56.400 0.053 0.000 0.804 187 E CB -0.425 29.299 29.700 0.039 0.000 0.745 187 E HN 0.716 nan 8.360 nan 0.000 0.458 188 T N -0.852 113.728 114.554 0.043 0.000 2.812 188 T HA -0.123 4.249 4.350 0.036 0.000 0.264 188 T C 1.880 176.597 174.700 0.028 0.000 1.042 188 T CA 1.387 63.505 62.100 0.030 0.000 1.140 188 T CB -0.029 68.851 68.868 0.021 0.000 0.870 188 T HN 0.152 nan 8.240 nan 0.000 0.445 189 E N 0.266 120.495 120.200 0.047 0.000 2.130 189 E HA -0.302 4.070 4.350 0.036 0.000 0.196 189 E C 2.340 178.969 176.600 0.048 0.000 0.998 189 E CA 1.575 58.006 56.400 0.052 0.000 0.806 189 E CB -0.209 29.560 29.700 0.115 0.000 0.738 189 E HN 0.628 nan 8.360 nan 0.000 0.459 190 Q N 0.838 120.699 119.800 0.101 0.000 2.050 190 Q HA -0.164 4.198 4.340 0.036 0.000 0.202 190 Q C 2.036 178.086 176.000 0.083 0.000 0.980 190 Q CA 1.950 57.848 55.803 0.159 0.000 0.840 190 Q CB -0.050 28.777 28.738 0.148 0.000 0.898 190 Q HN 0.209 nan 8.270 nan 0.000 0.424 191 R N -0.935 119.588 120.500 0.038 0.000 2.062 191 R HA -0.026 4.335 4.340 0.036 0.000 0.229 191 R C 2.382 178.660 176.300 -0.037 0.000 1.128 191 R CA 1.632 57.740 56.100 0.014 0.000 0.960 191 R CB -0.576 29.734 30.300 0.016 0.000 0.855 191 R HN 0.306 nan 8.270 nan 0.000 0.432 192 T N 1.718 116.237 114.554 -0.058 0.000 2.721 192 T HA -0.162 4.210 4.350 0.036 0.000 0.268 192 T C 1.832 176.419 174.700 -0.188 0.000 1.038 192 T CA 1.283 63.324 62.100 -0.098 0.000 1.145 192 T CB -0.079 68.736 68.868 -0.088 0.000 0.858 192 T HN 0.155 nan 8.240 nan 0.000 0.459 193 L N -1.666 119.366 121.223 -0.319 0.000 2.269 193 L HA 0.166 4.528 4.340 0.036 0.000 0.200 193 L C 1.282 177.780 176.870 -0.620 0.000 1.069 193 L CA 0.811 55.258 54.840 -0.656 0.000 0.804 193 L CB 0.120 41.487 42.059 -1.154 0.000 0.987 193 L HN 0.263 nan 8.230 nan 0.000 0.468 194 Y N -1.504 118.784 120.300 -0.021 0.000 2.641 194 Y HA 0.255 4.828 4.550 0.037 0.000 0.248 194 Y C 1.277 177.147 175.900 -0.051 0.000 1.170 194 Y CA -0.369 57.673 58.100 -0.097 0.000 1.201 194 Y CB 0.284 38.524 38.460 -0.367 0.000 1.232 194 Y HN 0.069 nan 8.280 nan 0.000 0.537 195 Q N 1.332 121.176 119.800 0.074 0.000 1.907 195 Q HA -0.311 4.051 4.340 0.036 0.000 0.186 195 Q C -0.499 175.534 176.000 0.054 0.000 2.907 195 Q CA 2.242 58.083 55.803 0.064 0.000 0.280 195 Q CB -1.483 27.315 28.738 0.099 0.000 0.444 195 Q HN 0.635 nan 8.270 nan 0.000 0.393 196 N N 1.243 119.975 118.700 0.052 0.000 2.488 196 N HA 0.440 5.202 4.740 0.036 0.000 0.274 196 N C -0.277 175.248 175.510 0.025 0.000 1.111 196 N CA 0.219 53.291 53.050 0.036 0.000 0.974 196 N CB 1.117 39.626 38.487 0.035 0.000 1.089 196 N HN 0.298 nan 8.380 nan 0.000 0.465 197 V N 0.564 120.498 119.914 0.034 0.000 3.133 197 V HA 0.485 4.627 4.120 0.036 0.000 0.305 197 V C 1.543 177.654 176.094 0.030 0.000 1.084 197 V CA 0.264 62.585 62.300 0.035 0.000 1.089 197 V CB 0.533 32.380 31.823 0.040 0.000 1.073 197 V HN 1.031 nan 8.190 nan 0.000 0.477 198 G N 1.538 110.358 108.800 0.032 0.000 2.198 198 G HA2 -0.060 3.922 3.960 0.036 0.000 0.260 198 G HA3 -0.060 3.922 3.960 0.036 0.000 0.260 198 G C 0.307 175.240 174.900 0.055 0.000 1.025 198 G CA 0.230 45.358 45.100 0.047 0.000 0.769 198 G HN 1.456 nan 8.290 nan 0.000 0.507 199 A N -0.483 122.330 122.820 -0.013 0.000 2.327 199 A HA 0.804 5.146 4.320 0.036 0.000 0.255 199 A C 0.029 177.596 177.584 -0.029 0.000 1.099 199 A CA 0.570 52.541 52.037 -0.111 0.000 0.801 199 A CB 0.456 19.292 19.000 -0.273 0.000 1.062 199 A HN 1.892 nan 8.150 nan 0.000 0.496 200 Y N -2.724 117.515 120.300 -0.102 0.000 2.588 200 Y HA 0.677 5.249 4.550 0.036 0.000 0.343 200 Y C -1.170 174.679 175.900 -0.085 0.000 1.065 200 Y CA -1.438 56.619 58.100 -0.073 0.000 1.038 200 Y CB 1.137 39.576 38.460 -0.035 0.000 1.297 200 Y HN 0.387 nan 8.280 nan 0.000 0.467 201 V N 2.809 122.812 119.914 0.148 0.000 2.444 201 V HA 0.609 4.751 4.120 0.036 0.000 0.294 201 V C -0.795 175.419 176.094 0.200 0.000 1.022 201 V CA -0.416 61.946 62.300 0.103 0.000 0.850 201 V CB 1.551 33.386 31.823 0.019 0.000 0.992 201 V HN 0.908 nan 8.190 nan 0.000 0.426 202 S N 4.450 120.271 115.700 0.202 0.000 2.659 202 S HA 0.787 5.279 4.470 0.036 0.000 0.312 202 S C -0.911 173.640 174.600 -0.081 0.000 1.114 202 S CA -0.621 57.625 58.200 0.077 0.000 1.063 202 S CB 1.513 64.764 63.200 0.086 0.000 0.996 202 S HN 0.377 nan 8.310 nan 0.000 0.478 203 V N 2.474 122.237 119.914 -0.252 0.000 2.713 203 V HA 0.939 5.080 4.120 0.036 0.000 0.307 203 V C 0.767 176.642 176.094 -0.365 0.000 1.052 203 V CA -0.275 61.694 62.300 -0.551 0.000 0.967 203 V CB 1.715 32.869 31.823 -1.116 0.000 1.019 203 V HN 1.178 nan 8.190 nan 0.000 0.459 204 G N 1.159 109.727 108.800 -0.387 0.000 2.753 204 G HA2 0.673 4.655 3.960 0.036 0.000 0.295 204 G HA3 0.673 4.655 3.960 0.036 0.000 0.295 204 G C -0.654 174.131 174.900 -0.192 0.000 1.437 204 G CA 0.184 45.151 45.100 -0.221 0.000 1.094 204 G HN 0.941 nan 8.290 nan 0.000 0.540 205 T N -1.902 112.582 114.554 -0.118 0.000 2.604 205 T HA 0.556 4.928 4.350 0.036 0.000 0.267 205 T C 1.436 176.117 174.700 -0.033 0.000 0.923 205 T CA 0.268 62.328 62.100 -0.067 0.000 1.077 205 T CB 1.097 69.941 68.868 -0.041 0.000 1.392 205 T HN 0.284 nan 8.240 nan 0.000 0.531 206 S N 0.565 116.261 115.700 -0.007 0.000 2.447 206 S HA 0.011 4.503 4.470 0.036 0.000 0.233 206 S C 1.878 176.480 174.600 0.003 0.000 1.006 206 S CA 1.462 59.664 58.200 0.003 0.000 0.957 206 S CB -0.620 62.591 63.200 0.020 0.000 0.773 206 S HN 0.984 nan 8.310 nan 0.000 0.507 207 T N -1.748 112.808 114.554 0.003 0.000 2.964 207 T HA 0.357 4.729 4.350 0.036 0.000 0.250 207 T C 0.180 174.880 174.700 -0.001 0.000 0.982 207 T CA -0.364 61.740 62.100 0.007 0.000 0.959 207 T CB -0.228 68.650 68.868 0.018 0.000 1.141 207 T HN 0.151 nan 8.240 nan 0.000 0.494 208 L N 2.733 123.952 121.223 -0.008 0.000 2.307 208 L HA 0.764 5.126 4.340 0.036 0.000 0.282 208 L C -1.019 175.832 176.870 -0.032 0.000 1.051 208 L CA -0.441 54.393 54.840 -0.009 0.000 0.804 208 L CB 1.309 43.369 42.059 0.001 0.000 1.197 208 L HN 0.363 nan 8.230 nan 0.000 0.431 209 N N 3.559 122.248 118.700 -0.018 0.000 2.542 209 N HA 0.479 5.241 4.740 0.036 0.000 0.288 209 N C -1.784 173.722 175.510 -0.007 0.000 1.115 209 N CA -0.614 52.418 53.050 -0.030 0.000 0.924 209 N CB 0.938 39.408 38.487 -0.027 0.000 1.526 209 N HN 0.642 nan 8.380 nan 0.000 0.515 210 K N 2.494 122.887 120.400 -0.011 0.000 2.561 210 K HA 0.435 4.777 4.320 0.036 0.000 0.254 210 K C -1.732 174.883 176.600 0.025 0.000 0.942 210 K CA -0.689 55.618 56.287 0.034 0.000 0.818 210 K CB 1.439 34.010 32.500 0.118 0.000 1.306 210 K HN 0.542 nan 8.250 nan 0.000 0.435 211 R N 2.232 122.750 120.500 0.031 0.000 2.439 211 R HA 0.433 4.795 4.340 0.036 0.000 0.310 211 R C -1.355 174.990 176.300 0.074 0.000 0.955 211 R CA -0.376 55.747 56.100 0.038 0.000 0.853 211 R CB 1.906 32.187 30.300 -0.032 0.000 1.171 211 R HN 0.566 nan 8.270 nan 0.000 0.449 212 S N 4.284 120.053 115.700 0.115 0.000 2.501 212 S HA 0.553 5.045 4.470 0.036 0.000 0.301 212 S C -0.854 173.808 174.600 0.104 0.000 1.096 212 S CA -0.669 57.597 58.200 0.110 0.000 1.063 212 S CB 1.182 64.459 63.200 0.127 0.000 1.042 212 S HN 0.432 nan 8.310 nan 0.000 0.494 213 L N 3.190 124.468 121.223 0.091 0.000 2.346 213 L HA 0.492 4.854 4.340 0.036 0.000 0.276 213 L C -2.493 174.436 176.870 0.099 0.000 1.006 213 L CA -2.448 52.439 54.840 0.079 0.000 0.817 213 L CB 1.331 43.431 42.059 0.068 0.000 1.272 213 L HN 0.352 nan 8.230 nan 0.000 0.421 214 P HA 0.055 nan 4.420 nan 0.000 0.263 214 P C -1.026 176.394 177.300 0.200 0.000 1.195 214 P CA 0.058 63.259 63.100 0.168 0.000 0.762 214 P CB 0.366 32.090 31.700 0.040 0.000 0.799 215 E N 3.140 123.484 120.200 0.241 0.000 2.115 215 E HA 0.336 4.707 4.350 0.036 0.000 0.282 215 E C -0.126 176.446 176.600 -0.046 0.000 0.987 215 E CA -0.389 55.987 56.400 -0.039 0.000 0.797 215 E CB 0.741 30.300 29.700 -0.233 0.000 1.086 215 E HN 0.398 nan 8.360 nan 0.000 0.397 216 I N 2.417 122.990 120.570 0.005 0.000 2.460 216 I HA 0.670 4.862 4.170 0.036 0.000 0.298 216 I C -0.115 176.001 176.117 -0.002 0.000 0.989 216 I CA -0.554 60.758 61.300 0.021 0.000 1.173 216 I CB 1.657 39.687 38.000 0.050 0.000 1.338 216 I HN 0.528 nan 8.210 nan 0.000 0.456 217 A N 2.936 125.758 122.820 0.003 0.000 2.599 217 A HA 0.570 4.911 4.320 0.036 0.000 0.294 217 A C -0.744 176.847 177.584 0.012 0.000 1.055 217 A CA -0.614 51.424 52.037 0.000 0.000 0.683 217 A CB 1.217 20.206 19.000 -0.019 0.000 1.278 217 A HN 0.556 nan 8.150 nan 0.000 0.412 218 T N 2.688 117.250 114.554 0.013 0.000 2.738 218 T HA 0.457 4.829 4.350 0.036 0.000 0.293 218 T C 0.190 174.898 174.700 0.014 0.000 0.913 218 T CA 0.149 62.260 62.100 0.018 0.000 1.103 218 T CB -0.367 68.511 68.868 0.017 0.000 0.880 218 T HN 0.588 nan 8.240 nan 0.000 0.526 219 R N 2.951 123.463 120.500 0.018 0.000 2.854 219 R HA 0.617 4.979 4.340 0.036 0.000 0.271 219 R C -2.598 173.711 176.300 0.015 0.000 0.996 219 R CA -2.146 53.963 56.100 0.015 0.000 0.961 219 R CB 0.223 30.532 30.300 0.016 0.000 1.182 219 R HN 0.331 nan 8.270 nan 0.000 0.479 220 P HA 0.046 nan 4.420 nan 0.000 0.275 220 P C -0.917 176.387 177.300 0.006 0.000 1.270 220 P CA -0.433 62.672 63.100 0.009 0.000 0.791 220 P CB 0.471 32.175 31.700 0.007 0.000 1.089 221 E N -0.423 119.779 120.200 0.003 0.000 2.174 221 E HA 0.369 4.741 4.350 0.036 0.000 0.282 221 E C -1.079 175.513 176.600 -0.014 0.000 0.992 221 E CA -0.598 55.798 56.400 -0.006 0.000 0.803 221 E CB 1.050 30.749 29.700 -0.002 0.000 1.090 221 E HN 0.034 nan 8.360 nan 0.000 0.396 222 V N 4.421 124.316 119.914 -0.031 0.000 2.376 222 V HA 0.117 4.259 4.120 0.036 0.000 0.287 222 V C -0.300 175.757 176.094 -0.061 0.000 1.015 222 V CA -0.892 61.388 62.300 -0.034 0.000 0.834 222 V CB 1.062 32.869 31.823 -0.026 0.000 1.001 222 V HN 0.782 nan 8.190 nan 0.000 0.428 223 N N 3.772 122.447 118.700 -0.042 0.000 2.735 223 N HA -0.192 4.570 4.740 0.036 0.000 0.248 223 N C 1.157 176.635 175.510 -0.053 0.000 1.083 223 N CA 1.556 54.577 53.050 -0.048 0.000 0.703 223 N CB -1.212 37.236 38.487 -0.065 0.000 1.005 223 N HN 1.494 nan 8.380 nan 0.000 0.550 224 G N -1.933 106.846 108.800 -0.035 0.000 2.187 224 G HA2 -0.357 3.625 3.960 0.036 0.000 0.261 224 G HA3 -0.357 3.625 3.960 0.036 0.000 0.261 224 G C -0.280 174.603 174.900 -0.029 0.000 1.000 224 G CA 0.713 45.801 45.100 -0.020 0.000 0.718 224 G HN 0.453 nan 8.290 nan 0.000 0.519 225 Q N -0.927 118.829 119.800 -0.075 0.000 2.337 225 Q HA 0.628 4.989 4.340 0.036 0.000 0.266 225 Q C 1.075 177.045 176.000 -0.049 0.000 1.023 225 Q CA 0.024 55.766 55.803 -0.101 0.000 0.829 225 Q CB 1.529 30.051 28.738 -0.361 0.000 1.306 225 Q HN 0.334 nan 8.270 nan 0.000 0.449 226 G N 1.129 109.943 108.800 0.024 0.000 2.762 226 G HA2 0.148 4.129 3.960 0.036 0.000 0.209 226 G HA3 0.148 4.129 3.960 0.036 0.000 0.209 226 G C 0.628 175.580 174.900 0.086 0.000 1.134 226 G CA 0.372 45.500 45.100 0.047 0.000 0.781 226 G HN 0.596 nan 8.290 nan 0.000 0.528 227 G N -0.097 108.806 108.800 0.171 0.000 2.684 227 G HA2 0.502 4.483 3.960 0.036 0.000 0.255 227 G HA3 0.502 4.483 3.960 0.036 0.000 0.255 227 G C -0.463 174.596 174.900 0.264 0.000 1.219 227 G CA -0.435 44.827 45.100 0.269 0.000 0.901 227 G HN 0.160 nan 8.290 nan 0.000 0.548 228 R N -0.433 120.203 120.500 0.226 0.000 2.651 228 R HA 0.312 4.673 4.340 0.036 0.000 0.278 228 R C -0.869 175.521 176.300 0.150 0.000 1.010 228 R CA -0.647 55.608 56.100 0.258 0.000 0.896 228 R CB 2.001 32.394 30.300 0.155 0.000 1.211 228 R HN 0.523 nan 8.270 nan 0.000 0.456 229 M N 1.864 121.563 119.600 0.166 0.000 2.072 229 M HA 0.298 4.800 4.480 0.036 0.000 0.331 229 M C 0.056 176.146 176.300 -0.349 0.000 1.004 229 M CA -0.423 54.731 55.300 -0.244 0.000 0.952 229 M CB 1.981 34.366 32.600 -0.358 0.000 1.511 229 M HN 0.415 nan 8.290 nan 0.000 0.422 230 E N 4.360 124.330 120.200 -0.382 0.000 2.044 230 E HA 0.338 4.710 4.350 0.036 0.000 0.282 230 E C -1.526 174.751 176.600 -0.538 0.000 1.031 230 E CA -0.352 55.893 56.400 -0.258 0.000 0.824 230 E CB 0.646 30.359 29.700 0.023 0.000 1.076 230 E HN 0.431 nan 8.360 nan 0.000 0.395 231 F N 2.224 121.937 119.950 -0.394 0.000 2.379 231 F HA 0.355 4.902 4.527 0.034 0.000 0.332 231 F C 0.612 175.935 175.800 -0.794 0.000 1.096 231 F CA -0.310 57.275 58.000 -0.693 0.000 1.105 231 F CB 1.795 40.194 39.000 -1.001 0.000 1.189 231 F HN 0.283 nan 8.300 nan 0.000 0.515 232 S N 1.705 116.947 115.700 -0.763 0.000 2.661 232 S HA 0.601 5.093 4.470 0.036 0.000 0.285 232 S C -1.613 172.471 174.600 -0.859 0.000 1.138 232 S CA -0.818 56.905 58.200 -0.795 0.000 0.855 232 S CB 2.299 64.918 63.200 -0.968 0.000 1.136 232 S HN 0.713 nan 8.310 nan 0.000 0.484 233 W N -0.069 120.840 121.300 -0.652 0.000 3.075 233 W HA 0.793 5.468 4.660 0.025 0.000 0.334 233 W C -1.359 175.163 176.519 0.006 0.000 1.243 233 W CA -0.680 56.505 57.345 -0.268 0.000 1.170 233 W CB 0.868 30.358 29.460 0.050 0.000 1.452 233 W HN 0.690 nan 8.180 nan 0.000 0.572 234 T N 1.125 115.928 114.554 0.415 0.000 2.821 234 T HA 0.519 4.891 4.350 0.036 0.000 0.306 234 T C -1.656 173.300 174.700 0.427 0.000 1.313 234 T CA -0.584 61.680 62.100 0.273 0.000 1.012 234 T CB 1.621 70.674 68.868 0.308 0.000 1.298 234 T HN 0.343 nan 8.240 nan 0.000 0.502 235 I N 3.558 124.312 120.570 0.307 0.000 2.336 235 I HA 0.395 4.587 4.170 0.036 0.000 0.292 235 I C -0.372 175.855 176.117 0.184 0.000 0.991 235 I CA -0.757 60.707 61.300 0.272 0.000 1.227 235 I CB 1.243 39.393 38.000 0.249 0.000 1.366 235 I HN 0.492 nan 8.210 nan 0.000 0.466 236 L N 7.076 128.400 121.223 0.168 0.000 2.268 236 L HA 0.336 4.698 4.340 0.036 0.000 0.289 236 L C 0.186 177.107 176.870 0.085 0.000 1.064 236 L CA 0.052 54.968 54.840 0.127 0.000 0.824 236 L CB 0.123 42.274 42.059 0.153 0.000 1.202 236 L HN 0.431 nan 8.230 nan 0.000 0.433 237 D N 3.582 124.021 120.400 0.065 0.000 2.362 237 D HA 0.097 4.759 4.640 0.036 0.000 0.238 237 D C 0.290 176.576 176.300 -0.023 0.000 1.212 237 D CA 0.007 54.026 54.000 0.031 0.000 0.902 237 D CB 0.805 41.633 40.800 0.046 0.000 1.180 237 D HN 0.472 nan 8.370 nan 0.000 0.445 238 I N 1.856 122.360 120.570 -0.111 0.000 2.618 238 I HA -0.106 4.085 4.170 0.036 0.000 0.284 238 I C 0.526 176.505 176.117 -0.230 0.000 1.146 238 I CA 0.100 61.179 61.300 -0.368 0.000 1.425 238 I CB 0.001 37.649 38.000 -0.586 0.000 1.383 238 I HN 0.746 nan 8.210 nan 0.000 0.562 239 W N 2.347 123.659 121.300 0.019 0.000 2.589 239 W HA -0.254 4.429 4.660 0.037 0.000 0.272 239 W C 0.313 176.826 176.519 -0.011 0.000 1.060 239 W CA 0.140 57.480 57.345 -0.008 0.000 0.533 239 W CB -1.407 28.049 29.460 -0.007 0.000 2.084 239 W HN 0.521 nan 8.180 nan 0.000 1.371 240 D N 0.530 121.014 120.400 0.142 0.000 2.277 240 D HA 0.524 5.185 4.640 0.036 0.000 0.250 240 D C 0.358 176.697 176.300 0.065 0.000 1.032 240 D CA 0.498 54.555 54.000 0.095 0.000 0.947 240 D CB 1.290 42.133 40.800 0.072 0.000 1.159 240 D HN -0.072 nan 8.370 nan 0.000 0.460 241 T N 0.236 114.813 114.554 0.039 0.000 2.885 241 T HA 0.577 4.948 4.350 0.036 0.000 0.285 241 T C -0.405 174.296 174.700 0.001 0.000 1.019 241 T CA -0.902 61.211 62.100 0.022 0.000 1.010 241 T CB 0.742 69.605 68.868 -0.008 0.000 1.022 241 T HN 0.362 nan 8.240 nan 0.000 0.466 242 I N 2.539 123.112 120.570 0.005 0.000 2.433 242 I HA 0.514 4.706 4.170 0.036 0.000 0.292 242 I C -1.148 174.848 176.117 -0.200 0.000 1.001 242 I CA -1.001 60.217 61.300 -0.138 0.000 1.119 242 I CB 1.278 39.176 38.000 -0.170 0.000 1.289 242 I HN 0.831 nan 8.210 nan 0.000 0.438 243 N N 7.037 125.558 118.700 -0.298 0.000 2.443 243 N HA 0.414 5.176 4.740 0.036 0.000 0.269 243 N C -1.517 173.790 175.510 -0.339 0.000 0.985 243 N CA -0.502 52.425 53.050 -0.205 0.000 0.921 243 N CB 1.209 39.639 38.487 -0.095 0.000 1.195 243 N HN 0.302 nan 8.380 nan 0.000 0.492 244 F N 1.241 121.181 119.950 -0.018 0.000 2.385 244 F HA 0.362 4.911 4.527 0.036 0.000 0.336 244 F C 0.713 176.537 175.800 0.040 0.000 1.100 244 F CA -0.460 57.517 58.000 -0.038 0.000 1.116 244 F CB 1.188 40.191 39.000 0.004 0.000 1.166 244 F HN 0.383 nan 8.300 nan 0.000 0.511 245 E N 1.431 121.764 120.200 0.222 0.000 2.307 245 E HA 0.465 4.837 4.350 0.036 0.000 0.280 245 E C -1.747 174.931 176.600 0.130 0.000 0.900 245 E CA -0.439 56.084 56.400 0.205 0.000 0.790 245 E CB 1.626 31.465 29.700 0.232 0.000 1.261 245 E HN 0.513 nan 8.360 nan 0.000 0.405 246 S N 2.335 118.007 115.700 -0.046 0.000 2.575 246 S HA 0.302 4.794 4.470 0.036 0.000 0.278 246 S C -0.293 174.094 174.600 -0.355 0.000 1.139 246 S CA -0.314 57.688 58.200 -0.331 0.000 0.954 246 S CB 1.412 64.478 63.200 -0.223 0.000 1.054 246 S HN 0.548 nan 8.310 nan 0.000 0.483 247 T N 1.067 115.161 114.554 -0.767 0.000 3.268 247 T HA 0.606 4.978 4.350 0.036 0.000 0.244 247 T C 0.783 175.112 174.700 -0.619 0.000 0.915 247 T CA 0.123 61.972 62.100 -0.418 0.000 0.935 247 T CB -0.743 67.902 68.868 -0.370 0.000 1.110 247 T HN 1.648 nan 8.240 nan 0.000 0.573 248 G N 1.422 109.662 108.800 -0.935 0.000 2.640 248 G HA2 0.106 4.087 3.960 0.036 0.000 0.686 248 G HA3 0.106 4.087 3.960 0.036 0.000 0.686 248 G C -0.063 174.249 174.900 -0.981 0.000 1.229 248 G CA -0.433 43.809 45.100 -1.429 0.000 0.796 248 G HN 0.316 nan 8.290 nan 0.000 0.654 249 N N -2.586 115.280 118.700 -1.391 0.000 2.997 249 N HA -0.174 4.588 4.740 0.036 0.000 0.214 249 N C 0.534 175.702 175.510 -0.569 0.000 0.904 249 N CA 1.207 53.552 53.050 -1.176 0.000 1.021 249 N CB -0.833 37.215 38.487 -0.732 0.000 1.040 249 N HN 1.468 nan 8.380 nan 0.000 0.573 250 L N 2.474 123.448 121.223 -0.414 0.000 2.349 250 L HA 0.438 4.799 4.340 0.036 0.000 0.275 250 L C 0.166 176.899 176.870 -0.229 0.000 1.115 250 L CA -0.032 54.648 54.840 -0.267 0.000 0.820 250 L CB 0.486 42.397 42.059 -0.247 0.000 1.135 250 L HN 0.015 nan 8.230 nan 0.000 0.445 251 I N 6.068 126.515 120.570 -0.205 0.000 2.479 251 I HA 0.365 4.557 4.170 0.036 0.000 0.279 251 I C 0.617 176.688 176.117 -0.077 0.000 1.102 251 I CA -0.384 60.832 61.300 -0.140 0.000 1.196 251 I CB -0.140 37.776 38.000 -0.140 0.000 1.427 251 I HN 0.790 nan 8.210 nan 0.000 0.503 252 A N 8.290 130.991 122.820 -0.199 0.000 2.406 252 A HA 0.585 4.927 4.320 0.036 0.000 0.243 252 A C -2.287 175.255 177.584 -0.070 0.000 1.082 252 A CA -0.676 51.183 52.037 -0.298 0.000 0.786 252 A CB -0.333 18.429 19.000 -0.397 0.000 1.029 252 A HN 0.363 nan 8.150 nan 0.000 0.495 253 P HA 0.246 nan 4.420 nan 0.000 0.276 253 P C 0.145 177.495 177.300 0.084 0.000 1.244 253 P CA -0.199 62.948 63.100 0.079 0.000 0.801 253 P CB 0.996 32.773 31.700 0.127 0.000 1.006 254 E N 0.340 120.600 120.200 0.100 0.000 2.330 254 E HA 0.042 4.414 4.350 0.036 0.000 0.200 254 E C -0.428 175.968 176.600 -0.341 0.000 0.922 254 E CA 0.238 56.597 56.400 -0.068 0.000 0.935 254 E CB 0.238 29.910 29.700 -0.045 0.000 0.917 254 E HN 0.437 nan 8.360 nan 0.000 0.491 255 Y N -0.812 119.430 120.300 -0.097 0.000 2.509 255 Y HA 0.601 5.172 4.550 0.035 0.000 0.341 255 Y C 0.574 176.275 175.900 -0.332 0.000 1.038 255 Y CA -0.749 57.195 58.100 -0.260 0.000 1.089 255 Y CB 2.114 40.348 38.460 -0.377 0.000 1.241 255 Y HN -0.068 nan 8.280 nan 0.000 0.468 256 G N 0.614 109.242 108.800 -0.288 0.000 2.597 256 G HA2 0.661 4.642 3.960 0.036 0.000 0.317 256 G HA3 0.661 4.642 3.960 0.036 0.000 0.317 256 G C -2.005 172.567 174.900 -0.547 0.000 1.230 256 G CA -0.676 44.252 45.100 -0.286 0.000 0.996 256 G HN 0.377 nan 8.290 nan 0.000 0.490 257 F N 0.558 120.396 119.950 -0.188 0.000 2.500 257 F HA 0.395 4.945 4.527 0.037 0.000 0.349 257 F C 0.662 176.200 175.800 -0.437 0.000 1.127 257 F CA -0.749 56.996 58.000 -0.425 0.000 0.998 257 F CB 2.113 40.810 39.000 -0.505 0.000 1.237 257 F HN 0.090 nan 8.300 nan 0.000 0.439 258 K N 3.654 123.862 120.400 -0.319 0.000 2.448 258 K HA 0.268 4.610 4.320 0.036 0.000 0.278 258 K C 0.102 176.487 176.600 -0.358 0.000 1.009 258 K CA 0.170 56.302 56.287 -0.258 0.000 0.995 258 K CB 1.266 33.639 32.500 -0.213 0.000 0.917 258 K HN 0.662 nan 8.250 nan 0.000 0.481 259 I N 0.015 120.500 120.570 -0.143 0.000 4.936 259 I HA 0.171 4.363 4.170 0.036 0.000 0.163 259 I C -0.515 175.598 176.117 -0.007 0.000 0.947 259 I CA -0.375 60.918 61.300 -0.012 0.000 1.916 259 I CB 1.339 39.393 38.000 0.091 0.000 1.268 259 I HN 0.627 nan 8.210 nan 0.000 0.429 260 S N 1.345 117.063 115.700 0.031 0.000 3.586 260 S HA -0.007 4.485 4.470 0.036 0.000 0.677 260 S C -0.724 173.874 174.600 -0.004 0.000 0.442 260 S CA -0.498 57.719 58.200 0.029 0.000 1.246 260 S CB -0.652 62.599 63.200 0.084 0.000 0.664 260 S HN 0.450 nan 8.310 nan 0.000 0.996 261 K N 1.761 122.156 120.400 -0.008 0.000 2.318 261 K HA 0.562 4.904 4.320 0.036 0.000 0.243 261 K C 1.320 177.894 176.600 -0.044 0.000 1.047 261 K CA -0.346 55.917 56.287 -0.039 0.000 0.937 261 K CB 0.431 32.917 32.500 -0.024 0.000 1.225 261 K HN 0.714 nan 8.250 nan 0.000 0.506 262 R N -1.662 118.799 120.500 -0.064 0.000 2.289 262 R HA 0.144 4.506 4.340 0.036 0.000 0.176 262 R C 0.083 176.331 176.300 -0.087 0.000 0.625 262 R CA 0.115 56.176 56.100 -0.064 0.000 0.896 262 R CB 0.086 30.344 30.300 -0.070 0.000 1.430 262 R HN 0.688 nan 8.270 nan 0.000 0.473 263 G N -0.018 108.723 108.800 -0.099 0.000 2.650 263 G HA2 0.413 4.395 3.960 0.036 0.000 0.310 263 G HA3 0.413 4.395 3.960 0.036 0.000 0.310 263 G C -1.574 173.270 174.900 -0.094 0.000 1.270 263 G CA -0.037 44.990 45.100 -0.121 0.000 0.810 263 G HN 0.083 nan 8.290 nan 0.000 0.493 264 S N -0.392 115.258 115.700 -0.084 0.000 2.381 264 S HA 0.585 5.077 4.470 0.036 0.000 0.193 264 S C 0.096 174.727 174.600 0.051 0.000 1.287 264 S CA 0.317 58.485 58.200 -0.053 0.000 1.199 264 S CB 0.598 63.793 63.200 -0.008 0.000 1.214 264 S HN 0.945 nan 8.310 nan 0.000 0.444 265 S N 3.199 118.931 115.700 0.054 0.000 2.206 265 S HA 0.934 5.425 4.470 0.036 0.000 0.233 265 S C 0.757 175.416 174.600 0.099 0.000 1.255 265 S CA 0.354 58.682 58.200 0.214 0.000 1.010 265 S CB 0.460 63.795 63.200 0.224 0.000 0.970 265 S HN 1.171 nan 8.310 nan 0.000 0.437 266 G N -0.666 108.190 108.800 0.094 0.000 2.600 266 G HA2 0.582 4.564 3.960 0.036 0.000 0.293 266 G HA3 0.582 4.564 3.960 0.036 0.000 0.293 266 G C -1.880 173.033 174.900 0.022 0.000 1.408 266 G CA -0.796 44.318 45.100 0.023 0.000 0.782 266 G HN 0.647 nan 8.290 nan 0.000 0.482 267 I N 1.165 121.716 120.570 -0.031 0.000 2.330 267 I HA 0.360 4.552 4.170 0.036 0.000 0.289 267 I C 0.230 176.322 176.117 -0.042 0.000 1.001 267 I CA -0.393 60.874 61.300 -0.055 0.000 1.193 267 I CB 1.768 39.695 38.000 -0.122 0.000 1.345 267 I HN 0.433 nan 8.210 nan 0.000 0.461 268 M N 7.287 126.888 119.600 0.002 0.000 2.146 268 M HA 0.293 4.795 4.480 0.036 0.000 0.357 268 M C -0.692 175.577 176.300 -0.052 0.000 1.261 268 M CA -0.121 55.163 55.300 -0.027 0.000 1.106 268 M CB 0.324 32.931 32.600 0.011 0.000 1.612 268 M HN 0.363 nan 8.290 nan 0.000 0.470 269 K N 4.298 124.657 120.400 -0.069 0.000 2.266 269 K HA 0.294 4.635 4.320 0.036 0.000 0.274 269 K C -0.548 176.007 176.600 -0.075 0.000 1.090 269 K CA -0.199 56.048 56.287 -0.068 0.000 0.925 269 K CB 1.054 33.523 32.500 -0.052 0.000 1.225 269 K HN 0.749 nan 8.250 nan 0.000 0.458 270 T N 0.515 115.024 114.554 -0.075 0.000 2.804 270 T HA 0.253 4.625 4.350 0.036 0.000 0.290 270 T C -0.337 174.323 174.700 -0.066 0.000 1.099 270 T CA -0.527 61.526 62.100 -0.077 0.000 1.011 270 T CB 1.304 70.121 68.868 -0.084 0.000 1.291 270 T HN 0.450 nan 8.240 nan 0.000 0.523 271 E N 0.277 120.441 120.200 -0.059 0.000 2.603 271 E HA 0.259 4.630 4.350 0.036 0.000 0.211 271 E C 0.806 177.376 176.600 -0.051 0.000 0.995 271 E CA -0.251 56.118 56.400 -0.052 0.000 0.990 271 E CB 0.831 30.508 29.700 -0.039 0.000 1.036 271 E HN 0.672 nan 8.360 nan 0.000 0.475 272 G N 1.347 110.114 108.800 -0.055 0.000 2.543 272 G HA2 0.462 4.444 3.960 0.036 0.000 0.267 272 G HA3 0.462 4.444 3.960 0.036 0.000 0.267 272 G C -0.293 174.574 174.900 -0.055 0.000 1.406 272 G CA -0.192 44.879 45.100 -0.048 0.000 1.048 272 G HN 0.066 nan 8.290 nan 0.000 0.548 273 T N -1.371 113.154 114.554 -0.047 0.000 3.548 273 T HA 0.412 4.784 4.350 0.036 0.000 0.329 273 T C -0.105 174.568 174.700 -0.044 0.000 0.960 273 T CA -0.643 61.423 62.100 -0.056 0.000 1.041 273 T CB 0.489 69.325 68.868 -0.053 0.000 1.065 273 T HN 1.021 nan 8.240 nan 0.000 0.459 274 L N 1.459 122.652 121.223 -0.050 0.000 2.554 274 L HA 0.313 4.675 4.340 0.036 0.000 0.293 274 L C 0.540 177.394 176.870 -0.026 0.000 1.252 274 L CA 0.124 54.946 54.840 -0.030 0.000 0.862 274 L CB 0.389 42.423 42.059 -0.043 0.000 1.113 274 L HN 0.884 nan 8.230 nan 0.000 0.510 275 E N 1.513 121.705 120.200 -0.012 0.000 2.968 275 E HA 0.095 4.467 4.350 0.036 0.000 0.202 275 E C -0.521 176.076 176.600 -0.004 0.000 0.979 275 E CA -0.462 55.932 56.400 -0.010 0.000 1.192 275 E CB -0.097 29.599 29.700 -0.008 0.000 1.059 275 E HN 0.840 nan 8.360 nan 0.000 0.470 276 N N 0.938 119.637 118.700 -0.001 0.000 2.469 276 N HA -0.155 4.606 4.740 0.036 0.000 0.283 276 N C -0.592 174.923 175.510 0.009 0.000 1.326 276 N CA 0.826 53.879 53.050 0.004 0.000 0.646 276 N CB -1.510 36.976 38.487 -0.001 0.000 0.894 276 N HN 0.526 nan 8.380 nan 0.000 0.533 277 c N 0.767 119.376 118.600 0.015 0.000 3.805 277 c HA 0.925 5.516 4.570 0.036 0.000 0.111 277 c C 0.416 174.518 174.090 0.020 0.000 2.736 277 c CA 0.180 56.518 56.329 0.015 0.000 1.638 277 c CB 0.392 42.910 42.510 0.013 0.000 3.111 277 c HN 0.857 nan 8.230 nan 0.000 0.434 278 E N -0.836 119.376 120.200 0.020 0.000 2.421 278 E HA 0.527 4.899 4.350 0.036 0.000 0.278 278 E C -1.244 175.365 176.600 0.014 0.000 1.141 278 E CA 0.701 57.115 56.400 0.023 0.000 0.880 278 E CB 1.187 30.898 29.700 0.018 0.000 1.381 278 E HN 1.270 nan 8.360 nan 0.000 0.436 279 T N 0.525 115.087 114.554 0.013 0.000 3.157 279 T HA 0.181 4.553 4.350 0.036 0.000 0.379 279 T C -0.930 173.769 174.700 -0.001 0.000 1.810 279 T CA -0.094 62.003 62.100 -0.005 0.000 1.071 279 T CB 0.612 69.464 68.868 -0.027 0.000 1.760 279 T HN 0.465 nan 8.240 nan 0.000 0.500 280 K N 1.029 121.423 120.400 -0.009 0.000 2.487 280 K HA 0.442 4.784 4.320 0.036 0.000 0.192 280 K C 0.035 176.615 176.600 -0.034 0.000 1.027 280 K CA 0.364 56.651 56.287 0.001 0.000 1.054 280 K CB -0.188 32.312 32.500 -0.000 0.000 0.824 280 K HN 0.575 nan 8.250 nan 0.000 0.510 281 c N 0.284 118.841 118.600 -0.072 0.000 2.817 281 c HA 0.442 5.033 4.570 0.036 0.000 0.385 281 c C -1.818 172.172 174.090 -0.167 0.000 1.050 281 c CA -0.844 55.404 56.329 -0.135 0.000 1.245 281 c CB 0.552 42.980 42.510 -0.137 0.000 1.706 281 c HN 0.404 nan 8.230 nan 0.000 0.488 282 Q N 2.906 122.561 119.800 -0.242 0.000 2.306 282 Q HA 0.842 5.203 4.340 0.036 0.000 0.265 282 Q C -0.617 175.197 176.000 -0.311 0.000 1.022 282 Q CA 0.070 55.703 55.803 -0.283 0.000 0.853 282 Q CB 2.097 30.588 28.738 -0.412 0.000 1.327 282 Q HN 0.768 nan 8.270 nan 0.000 0.449 283 T N 4.198 118.579 114.554 -0.287 0.000 2.900 283 T HA 0.390 4.762 4.350 0.036 0.000 0.295 283 T C -2.224 172.259 174.700 -0.361 0.000 1.044 283 T CA -1.596 60.318 62.100 -0.311 0.000 0.995 283 T CB 1.567 70.265 68.868 -0.284 0.000 1.072 283 T HN 0.477 nan 8.240 nan 0.000 0.473 284 P HA 0.031 nan 4.420 nan 0.000 0.224 284 P C 0.912 177.983 177.300 -0.382 0.000 1.142 284 P CA 0.956 63.784 63.100 -0.453 0.000 0.778 284 P CB 0.181 31.463 31.700 -0.696 0.000 0.764 285 L N -3.753 117.208 121.223 -0.437 0.000 2.609 285 L HA 0.421 4.783 4.340 0.036 0.000 0.230 285 L C 1.104 177.685 176.870 -0.482 0.000 1.087 285 L CA 0.167 54.745 54.840 -0.436 0.000 0.874 285 L CB 0.037 41.777 42.059 -0.532 0.000 1.114 285 L HN 0.018 nan 8.230 nan 0.000 0.488 286 G N -0.256 108.307 108.800 -0.395 0.000 2.339 286 G HA2 0.425 4.407 3.960 0.036 0.000 0.302 286 G HA3 0.425 4.407 3.960 0.036 0.000 0.302 286 G C -1.684 173.138 174.900 -0.131 0.000 1.425 286 G CA -0.239 44.756 45.100 -0.176 0.000 0.899 286 G HN 0.029 nan 8.290 nan 0.000 0.619 287 A N -0.406 122.388 122.820 -0.043 0.000 2.322 287 A HA 0.797 5.138 4.320 0.036 0.000 0.269 287 A C 0.149 177.715 177.584 -0.029 0.000 1.094 287 A CA -0.335 51.667 52.037 -0.059 0.000 0.807 287 A CB 0.332 19.311 19.000 -0.036 0.000 1.047 287 A HN 0.837 nan 8.150 nan 0.000 0.487 288 I N 1.788 122.315 120.570 -0.071 0.000 2.378 288 I HA 0.230 4.422 4.170 0.036 0.000 0.291 288 I C -0.361 175.730 176.117 -0.043 0.000 0.992 288 I CA -0.547 60.716 61.300 -0.062 0.000 1.154 288 I CB 1.696 39.610 38.000 -0.143 0.000 1.315 288 I HN 0.610 nan 8.210 nan 0.000 0.448 289 N N 4.525 123.213 118.700 -0.019 0.000 2.626 289 N HA 0.421 5.182 4.740 0.036 0.000 0.242 289 N C -0.952 174.553 175.510 -0.008 0.000 1.005 289 N CA 0.045 53.087 53.050 -0.014 0.000 0.905 289 N CB 1.177 39.660 38.487 -0.006 0.000 1.128 289 N HN 0.708 nan 8.380 nan 0.000 0.512 290 T N -0.257 114.291 114.554 -0.011 0.000 2.665 290 T HA 0.489 4.861 4.350 0.036 0.000 0.303 290 T C 0.056 174.751 174.700 -0.009 0.000 1.334 290 T CA -0.160 61.939 62.100 -0.002 0.000 1.011 290 T CB 0.633 69.508 68.868 0.012 0.000 1.573 290 T HN 0.375 nan 8.240 nan 0.000 0.492 291 T N -0.214 114.336 114.554 -0.006 0.000 3.130 291 T HA 0.398 4.769 4.350 0.036 0.000 0.288 291 T C 0.365 175.049 174.700 -0.026 0.000 0.936 291 T CA -0.276 61.813 62.100 -0.018 0.000 0.897 291 T CB -0.346 68.515 68.868 -0.011 0.000 1.178 291 T HN 0.432 nan 8.240 nan 0.000 0.543 292 L N 1.639 122.857 121.223 -0.008 0.000 2.371 292 L HA 0.395 4.756 4.340 0.036 0.000 0.272 292 L C -1.678 175.146 176.870 -0.076 0.000 1.124 292 L CA -2.408 52.431 54.840 -0.002 0.000 0.816 292 L CB 0.446 42.539 42.059 0.056 0.000 1.129 292 L HN -0.171 nan 8.230 nan 0.000 0.448 293 P HA -0.067 nan 4.420 nan 0.000 0.229 293 P C -0.667 176.040 177.300 -0.988 0.000 1.150 293 P CA 1.298 64.035 63.100 -0.606 0.000 0.765 293 P CB 0.069 31.327 31.700 -0.737 0.000 0.783 294 F N -1.652 118.271 119.950 -0.044 0.000 2.619 294 F HA 0.400 4.949 4.527 0.036 0.000 0.308 294 F C 0.610 176.413 175.800 0.005 0.000 1.097 294 F CA -1.042 56.913 58.000 -0.075 0.000 0.953 294 F CB 1.327 40.267 39.000 -0.100 0.000 1.287 294 F HN -0.139 nan 8.300 nan 0.000 0.446 295 H N 0.101 119.254 119.070 0.138 0.000 2.941 295 H HA 0.541 5.118 4.556 0.035 0.000 0.344 295 H C -1.318 174.009 175.328 -0.002 0.000 1.235 295 H CA -0.982 55.120 56.048 0.090 0.000 1.149 295 H CB 2.191 32.019 29.762 0.110 0.000 1.885 295 H HN 0.601 nan 8.280 nan 0.000 0.558 296 N N 0.496 119.266 118.700 0.115 0.000 2.307 296 N HA 0.117 4.878 4.740 0.036 0.000 0.248 296 N C 0.272 175.991 175.510 0.347 0.000 1.322 296 N CA -0.308 52.683 53.050 -0.098 0.000 0.861 296 N CB -0.264 38.138 38.487 -0.142 0.000 1.303 296 N HN 0.611 nan 8.380 nan 0.000 0.498 297 I N -0.367 120.626 120.570 0.705 0.000 2.141 297 I HA -0.044 4.148 4.170 0.036 0.000 0.236 297 I C 0.436 176.858 176.117 0.509 0.000 1.071 297 I CA 1.077 62.681 61.300 0.506 0.000 1.345 297 I CB -0.123 38.069 38.000 0.319 0.000 1.066 297 I HN 0.298 nan 8.210 nan 0.000 0.406 298 H N -0.792 118.522 119.070 0.407 0.000 3.123 298 H HA 0.154 4.731 4.556 0.035 0.000 0.346 298 H C -2.338 172.750 175.328 -0.400 0.000 1.138 298 H CA -1.137 54.911 56.048 -0.000 0.000 1.273 298 H CB 2.515 32.234 29.762 -0.070 0.000 1.926 298 H HN -0.235 nan 8.280 nan 0.000 0.524 299 P HA -0.026 nan 4.420 nan 0.000 0.215 299 P C 0.669 177.794 177.300 -0.292 0.000 1.157 299 P CA 0.914 63.429 63.100 -0.976 0.000 0.859 299 P CB 0.336 31.581 31.700 -0.759 0.000 0.786 300 L N 0.721 121.930 121.223 -0.023 0.000 2.416 300 L HA 0.147 4.509 4.340 0.036 0.000 0.243 300 L C 0.885 177.763 176.870 0.012 0.000 1.373 300 L CA -0.471 54.401 54.840 0.053 0.000 1.227 300 L CB -1.555 40.584 42.059 0.133 0.000 1.428 300 L HN 0.050 nan 8.230 nan 0.000 0.425 301 T N -1.737 112.785 114.554 -0.055 0.000 2.874 301 T HA 0.650 5.022 4.350 0.036 0.000 0.281 301 T C -0.076 174.492 174.700 -0.220 0.000 0.994 301 T CA -0.560 61.460 62.100 -0.134 0.000 1.015 301 T CB 2.065 70.875 68.868 -0.096 0.000 1.028 301 T HN 0.201 nan 8.240 nan 0.000 0.523 302 I N 1.704 122.089 120.570 -0.307 0.000 2.468 302 I HA 0.611 4.803 4.170 0.036 0.000 0.284 302 I C 0.678 176.529 176.117 -0.444 0.000 1.038 302 I CA -0.277 60.784 61.300 -0.398 0.000 1.083 302 I CB 1.086 38.854 38.000 -0.388 0.000 1.223 302 I HN 1.195 nan 8.210 nan 0.000 0.443 303 G N 5.649 114.031 108.800 -0.696 0.000 2.288 303 G HA2 0.012 3.994 3.960 0.036 0.000 0.227 303 G HA3 0.012 3.994 3.960 0.036 0.000 0.227 303 G C -1.469 173.149 174.900 -0.471 0.000 1.339 303 G CA -0.799 43.987 45.100 -0.524 0.000 1.057 303 G HN 0.469 nan 8.290 nan 0.000 0.470 304 E N -0.017 120.084 120.200 -0.164 0.000 2.073 304 E HA 0.511 4.883 4.350 0.036 0.000 0.269 304 E C -1.001 175.537 176.600 -0.103 0.000 0.917 304 E CA -0.359 55.981 56.400 -0.101 0.000 0.757 304 E CB 1.423 31.120 29.700 -0.006 0.000 1.111 304 E HN 0.499 nan 8.360 nan 0.000 0.410 305 c N 3.861 122.395 118.600 -0.110 0.000 2.455 305 c HA 0.368 4.960 4.570 0.036 0.000 0.320 305 c C -2.231 171.842 174.090 -0.028 0.000 1.226 305 c CA -1.905 54.395 56.329 -0.049 0.000 1.569 305 c CB 0.927 43.432 42.510 -0.009 0.000 2.200 305 c HN 0.576 nan 8.230 nan 0.000 0.491 306 P HA -0.000 nan 4.420 nan 0.000 0.255 306 P C -0.231 177.016 177.300 -0.087 0.000 1.173 306 P CA 0.223 63.297 63.100 -0.044 0.000 0.780 306 P CB 0.241 31.998 31.700 0.096 0.000 0.758 307 K N 4.543 124.752 120.400 -0.319 0.000 2.216 307 K HA -0.197 4.144 4.320 0.036 0.000 0.252 307 K C -0.568 175.946 176.600 -0.143 0.000 1.335 307 K CA 0.385 56.461 56.287 -0.351 0.000 1.323 307 K CB -1.681 30.374 32.500 -0.741 0.000 0.776 307 K HN 0.368 nan 8.250 nan 0.000 0.491 308 Y N 4.399 124.507 120.300 -0.319 0.000 2.802 308 Y HA 0.109 4.681 4.550 0.037 0.000 0.333 308 Y C -0.054 175.747 175.900 -0.164 0.000 1.244 308 Y CA -0.028 57.748 58.100 -0.540 0.000 1.558 308 Y CB 0.271 38.415 38.460 -0.526 0.000 1.233 308 Y HN 0.278 nan 8.280 nan 0.000 0.547 309 V N 3.927 123.454 119.914 -0.644 0.000 3.019 309 V HA 0.443 4.584 4.120 0.036 0.000 0.317 309 V C 0.122 175.801 176.094 -0.692 0.000 1.094 309 V CA -1.412 60.634 62.300 -0.423 0.000 1.000 309 V CB 1.966 33.666 31.823 -0.205 0.000 1.060 309 V HN 0.746 nan 8.190 nan 0.000 0.443 310 K N 1.047 121.242 120.400 -0.342 0.000 2.684 310 K HA 0.305 4.647 4.320 0.036 0.000 0.215 310 K C 0.236 176.741 176.600 -0.158 0.000 1.073 310 K CA 0.079 56.224 56.287 -0.238 0.000 1.197 310 K CB -0.080 32.386 32.500 -0.057 0.000 0.955 310 K HN 0.982 nan 8.250 nan 0.000 0.473 311 S N -1.164 114.421 115.700 -0.192 0.000 2.578 311 S HA 0.247 4.739 4.470 0.036 0.000 0.301 311 S C 0.557 175.094 174.600 -0.105 0.000 1.091 311 S CA -0.914 57.207 58.200 -0.133 0.000 1.032 311 S CB 1.925 65.032 63.200 -0.155 0.000 1.064 311 S HN 0.151 nan 8.310 nan 0.000 0.508 312 E N 0.801 120.959 120.200 -0.070 0.000 2.216 312 E HA 0.046 4.418 4.350 0.036 0.000 0.192 312 E C 0.627 177.202 176.600 -0.041 0.000 0.988 312 E CA 0.599 56.974 56.400 -0.043 0.000 0.834 312 E CB 0.216 29.899 29.700 -0.030 0.000 0.772 312 E HN 0.715 nan 8.360 nan 0.000 0.479 313 R N -1.241 119.225 120.500 -0.057 0.000 2.664 313 R HA 0.387 4.749 4.340 0.036 0.000 0.266 313 R C -1.751 174.506 176.300 -0.072 0.000 1.046 313 R CA -0.717 55.355 56.100 -0.048 0.000 0.885 313 R CB 0.421 30.703 30.300 -0.031 0.000 1.254 313 R HN -0.052 nan 8.270 nan 0.000 0.465 314 L N 2.782 123.970 121.223 -0.059 0.000 2.518 314 L HA 0.454 4.816 4.340 0.036 0.000 0.262 314 L C -0.831 176.025 176.870 -0.024 0.000 0.982 314 L CA -1.050 53.745 54.840 -0.074 0.000 0.873 314 L CB 2.102 44.084 42.059 -0.129 0.000 1.198 314 L HN 0.579 nan 8.230 nan 0.000 0.427 315 V N 1.215 121.117 119.914 -0.020 0.000 2.444 315 V HA 0.568 4.710 4.120 0.036 0.000 0.294 315 V C -0.224 175.875 176.094 0.008 0.000 1.022 315 V CA -0.692 61.611 62.300 0.005 0.000 0.850 315 V CB 1.956 33.782 31.823 0.004 0.000 0.992 315 V HN 0.531 nan 8.190 nan 0.000 0.426 316 L N 4.394 125.635 121.223 0.029 0.000 2.305 316 L HA 0.715 5.077 4.340 0.036 0.000 0.281 316 L C 0.998 177.897 176.870 0.048 0.000 1.085 316 L CA -0.385 54.475 54.840 0.035 0.000 0.813 316 L CB 1.582 43.670 42.059 0.049 0.000 1.157 316 L HN 0.942 nan 8.230 nan 0.000 0.436 317 A N 2.012 124.856 122.820 0.040 0.000 2.454 317 A HA 0.374 4.715 4.320 0.036 0.000 0.260 317 A C 0.924 178.568 177.584 0.100 0.000 1.106 317 A CA 0.106 52.177 52.037 0.057 0.000 0.780 317 A CB 0.216 19.236 19.000 0.034 0.000 1.044 317 A HN 0.895 nan 8.150 nan 0.000 0.498 318 T N 0.808 115.454 114.554 0.154 0.000 3.056 318 T HA 0.360 4.731 4.350 0.036 0.000 0.243 318 T C 1.135 176.026 174.700 0.318 0.000 0.995 318 T CA 0.626 62.868 62.100 0.238 0.000 1.091 318 T CB -0.366 68.672 68.868 0.283 0.000 0.990 318 T HN 0.886 nan 8.240 nan 0.000 0.464 319 G N 1.993 110.914 108.800 0.201 0.000 2.543 319 G HA2 0.664 4.646 3.960 0.036 0.000 0.267 319 G HA3 0.664 4.646 3.960 0.036 0.000 0.267 319 G C -0.381 174.051 174.900 -0.779 0.000 1.406 319 G CA -0.939 43.995 45.100 -0.278 0.000 1.048 319 G HN 0.716 nan 8.290 nan 0.000 0.548 320 L N -2.500 117.964 121.223 -1.265 0.000 2.331 320 L HA 0.788 5.150 4.340 0.036 0.000 0.268 320 L C 0.561 177.168 176.870 -0.438 0.000 1.015 320 L CA -1.311 53.014 54.840 -0.859 0.000 0.807 320 L CB 1.295 42.794 42.059 -0.933 0.000 1.293 320 L HN 0.487 nan 8.230 nan 0.000 0.451 321 R N 1.526 121.834 120.500 -0.320 0.000 2.538 321 R HA -0.031 4.331 4.340 0.036 0.000 0.282 321 R C -0.314 175.837 176.300 -0.249 0.000 1.009 321 R CA 0.178 56.136 56.100 -0.238 0.000 1.063 321 R CB 0.102 30.284 30.300 -0.197 0.000 0.945 321 R HN 0.809 nan 8.270 nan 0.000 0.414 322 N N 4.492 123.076 118.700 -0.194 0.000 2.602 322 N HA 0.105 4.866 4.740 0.036 0.000 0.238 322 N C -1.299 174.143 175.510 -0.112 0.000 1.084 322 N CA -0.595 52.351 53.050 -0.172 0.000 0.952 322 N CB 0.875 39.252 38.487 -0.182 0.000 1.244 322 N HN 0.378 nan 8.380 nan 0.000 0.512 323 V N 2.773 122.645 119.914 -0.069 0.000 2.348 323 V HA 0.587 4.729 4.120 0.036 0.000 0.270 323 V C -2.043 174.041 176.094 -0.016 0.000 1.037 323 V CA -1.657 60.627 62.300 -0.026 0.000 0.872 323 V CB 0.578 32.409 31.823 0.014 0.000 1.002 323 V HN 0.451 nan 8.190 nan 0.000 0.464 324 P HA 0.478 nan 4.420 nan 0.000 0.329 324 P C -0.305 176.992 177.300 -0.006 0.000 1.319 324 P CA -0.407 62.678 63.100 -0.025 0.000 0.742 324 P CB 0.501 32.184 31.700 -0.028 0.000 1.564 331 L N -0.082 121.112 121.223 -0.048 0.000 2.341 331 L HA 0.398 4.760 4.340 0.036 0.000 0.214 331 L C 1.901 178.527 176.870 -0.408 0.000 1.115 331 L CA 1.331 56.031 54.840 -0.233 0.000 0.820 331 L CB -0.505 41.370 42.059 -0.305 0.000 0.944 331 L HN 0.405 nan 8.230 nan 0.000 0.452 332 F N -1.218 118.705 119.950 -0.046 0.000 2.682 332 F HA 0.314 4.862 4.527 0.036 0.000 0.308 332 F C 1.768 177.566 175.800 -0.004 0.000 1.093 332 F CA 0.608 58.592 58.000 -0.027 0.000 1.244 332 F CB 0.532 39.504 39.000 -0.047 0.000 1.052 332 F HN 0.150 nan 8.300 nan 0.000 0.573 333 G N 0.541 109.394 108.800 0.089 0.000 2.363 333 G HA2 -0.392 3.590 3.960 0.036 0.000 0.238 333 G HA3 -0.392 3.590 3.960 0.036 0.000 0.238 333 G C 1.415 176.275 174.900 -0.066 0.000 1.062 333 G CA 0.444 45.593 45.100 0.081 0.000 0.629 333 G HN 0.514 nan 8.290 nan 0.000 0.514 334 A N 1.069 123.791 122.820 -0.164 0.000 1.821 334 A HA 0.402 4.743 4.320 0.036 0.000 0.215 334 A C 1.432 178.779 177.584 -0.396 0.000 1.216 334 A CA 1.376 53.080 52.037 -0.555 0.000 0.615 334 A CB -0.542 18.275 19.000 -0.305 0.000 0.862 334 A HN 0.983 nan 8.150 nan 0.000 0.450 335 I N -0.469 119.903 120.570 -0.330 0.000 2.710 335 I HA 0.202 4.394 4.170 0.036 0.000 0.286 335 I C 1.364 177.329 176.117 -0.253 0.000 1.181 335 I CA 0.523 61.507 61.300 -0.528 0.000 1.430 335 I CB 0.260 37.712 38.000 -0.914 0.000 1.367 335 I HN 0.671 nan 8.210 nan 0.000 0.577 336 A N 4.349 127.117 122.820 -0.086 0.000 2.715 336 A HA -0.170 4.172 4.320 0.036 0.000 0.301 336 A C 0.835 178.379 177.584 -0.066 0.000 1.515 336 A CA 1.201 53.210 52.037 -0.048 0.000 0.816 336 A CB -2.015 16.935 19.000 -0.084 0.000 1.004 336 A HN 1.123 nan 8.150 nan 0.000 0.483 337 G N -1.462 107.279 108.800 -0.097 0.000 3.377 337 G HA2 0.518 4.499 3.960 0.036 0.000 0.182 337 G HA3 0.518 4.499 3.960 0.036 0.000 0.182 337 G C 0.631 175.485 174.900 -0.078 0.000 1.166 337 G CA 0.149 45.198 45.100 -0.085 0.000 0.771 337 G HN 1.119 nan 8.290 nan 0.000 0.701 338 F N 0.917 120.833 119.950 -0.057 0.000 2.202 338 F HA 0.255 4.804 4.527 0.036 0.000 0.301 338 F C 1.234 176.981 175.800 -0.088 0.000 1.082 338 F CA 0.411 58.358 58.000 -0.089 0.000 1.313 338 F CB -0.522 38.390 39.000 -0.147 0.000 1.024 338 F HN -0.041 nan 8.300 nan 0.000 0.495 339 I N 2.136 122.295 120.570 -0.684 0.000 2.270 339 I HA 0.021 4.213 4.170 0.036 0.000 0.300 339 I C 1.441 177.450 176.117 -0.179 0.000 1.186 339 I CA 0.142 61.217 61.300 -0.376 0.000 1.431 339 I CB -0.149 37.530 38.000 -0.535 0.000 1.485 339 I HN 0.300 nan 8.210 nan 0.000 0.650 340 E N 3.464 123.624 120.200 -0.067 0.000 2.236 340 E HA -0.192 4.180 4.350 0.036 0.000 0.205 340 E C 1.012 177.601 176.600 -0.018 0.000 1.028 340 E CA 1.345 57.732 56.400 -0.022 0.000 0.827 340 E CB 0.268 29.976 29.700 0.012 0.000 0.735 340 E HN 0.843 nan 8.360 nan 0.000 0.470 341 G N -2.354 106.401 108.800 -0.076 0.000 2.606 341 G HA2 0.528 4.510 3.960 0.036 0.000 0.300 341 G HA3 0.528 4.510 3.960 0.036 0.000 0.300 341 G C -0.788 173.909 174.900 -0.339 0.000 1.360 341 G CA -0.466 44.586 45.100 -0.080 0.000 0.783 341 G HN 0.219 nan 8.290 nan 0.000 0.484 342 G N -1.702 106.965 108.800 -0.222 0.000 2.509 342 G HA2 0.532 4.514 3.960 0.036 0.000 0.328 342 G HA3 0.532 4.514 3.960 0.036 0.000 0.328 342 G C -1.261 173.560 174.900 -0.131 0.000 1.194 342 G CA -0.605 44.259 45.100 -0.393 0.000 0.967 342 G HN 0.400 nan 8.290 nan 0.000 0.488 343 W N 1.030 122.196 121.300 -0.224 0.000 2.309 343 W HA 0.379 5.061 4.660 0.037 0.000 0.332 343 W C 0.921 177.288 176.519 -0.254 0.000 0.962 343 W CA -1.350 55.821 57.345 -0.291 0.000 1.497 343 W CB 0.948 30.101 29.460 -0.511 0.000 1.308 343 W HN 0.730 nan 8.180 nan 0.000 0.384 344 Q N 2.127 121.942 119.800 0.024 0.000 2.242 344 Q HA -0.187 4.175 4.340 0.036 0.000 0.211 344 Q C 2.228 178.208 176.000 -0.034 0.000 0.992 344 Q CA 2.700 58.501 55.803 -0.003 0.000 0.889 344 Q CB -0.196 28.542 28.738 0.001 0.000 0.913 344 Q HN 0.656 nan 8.270 nan 0.000 0.422 345 G N -0.129 108.561 108.800 -0.183 0.000 2.418 345 G HA2 -0.209 3.773 3.960 0.036 0.000 0.217 345 G HA3 -0.209 3.773 3.960 0.036 0.000 0.217 345 G C 0.591 175.307 174.900 -0.306 0.000 1.158 345 G CA 0.450 45.367 45.100 -0.306 0.000 0.771 345 G HN 0.411 nan 8.290 nan 0.000 0.545 346 M N 1.673 121.049 119.600 -0.373 0.000 2.146 346 M HA 0.383 4.885 4.480 0.036 0.000 0.352 346 M C -0.043 176.298 176.300 0.067 0.000 1.343 346 M CA -0.193 55.073 55.300 -0.056 0.000 1.115 346 M CB 1.179 33.858 32.600 0.132 0.000 1.657 346 M HN 0.042 nan 8.290 nan 0.000 0.471 347 V N 1.735 121.656 119.914 0.011 0.000 3.098 347 V HA 0.339 4.481 4.120 0.036 0.000 0.416 347 V C -0.548 175.475 176.094 -0.119 0.000 1.449 347 V CA -0.400 61.867 62.300 -0.055 0.000 1.486 347 V CB -0.215 31.629 31.823 0.034 0.000 1.277 347 V HN 0.901 nan 8.190 nan 0.000 0.623 348 D N -0.404 119.916 120.400 -0.133 0.000 2.556 348 D HA 0.525 5.187 4.640 0.036 0.000 0.237 348 D C 0.615 176.801 176.300 -0.191 0.000 1.296 348 D CA 0.680 54.604 54.000 -0.127 0.000 0.807 348 D CB 1.734 42.514 40.800 -0.033 0.000 1.084 348 D HN 0.806 nan 8.370 nan 0.000 0.510 349 G N -0.607 108.009 108.800 -0.306 0.000 2.342 349 G HA2 0.182 4.164 3.960 0.036 0.000 0.297 349 G HA3 0.182 4.164 3.960 0.036 0.000 0.297 349 G C -1.084 173.596 174.900 -0.366 0.000 1.313 349 G CA -0.710 44.185 45.100 -0.342 0.000 0.830 349 G HN -0.064 nan 8.290 nan 0.000 0.506 350 W N -0.475 120.581 121.300 -0.408 0.000 2.588 350 W HA 0.346 5.028 4.660 0.036 0.000 0.277 350 W C -0.078 176.211 176.519 -0.383 0.000 1.221 350 W CA 0.433 57.499 57.345 -0.465 0.000 1.355 350 W CB -0.147 28.777 29.460 -0.892 0.000 1.083 350 W HN 0.363 nan 8.180 nan 0.000 0.581 351 Y N -0.515 119.926 120.300 0.235 0.000 2.462 351 Y HA 0.726 5.297 4.550 0.036 0.000 0.346 351 Y C 0.635 176.526 175.900 -0.015 0.000 0.976 351 Y CA -1.474 56.669 58.100 0.071 0.000 1.044 351 Y CB 1.230 39.707 38.460 0.028 0.000 1.230 351 Y HN -0.120 nan 8.280 nan 0.000 0.455 352 G N 0.311 109.142 108.800 0.053 0.000 2.554 352 G HA2 0.528 4.509 3.960 0.036 0.000 0.306 352 G HA3 0.528 4.509 3.960 0.036 0.000 0.306 352 G C -2.245 172.679 174.900 0.040 0.000 1.320 352 G CA -0.894 44.197 45.100 -0.016 0.000 0.800 352 G HN 0.400 nan 8.290 nan 0.000 0.481 353 Y N -0.763 119.860 120.300 0.538 0.000 2.631 353 Y HA 0.790 5.361 4.550 0.036 0.000 0.328 353 Y C 0.254 176.533 175.900 0.631 0.000 1.118 353 Y CA -0.778 57.662 58.100 0.567 0.000 1.206 353 Y CB 2.104 40.754 38.460 0.316 0.000 1.337 353 Y HN 0.646 nan 8.280 nan 0.000 0.515 354 H N 1.039 120.407 119.070 0.498 0.000 3.287 354 H HA 0.248 4.826 4.556 0.036 0.000 0.330 354 H C -1.857 173.553 175.328 0.137 0.000 1.064 354 H CA -0.667 55.443 56.048 0.103 0.000 1.544 354 H CB 0.556 30.025 29.762 -0.488 0.000 1.918 354 H HN 1.037 nan 8.280 nan 0.000 0.477 355 H N 1.843 120.723 119.070 -0.317 0.000 2.457 355 H HA 0.547 5.124 4.556 0.036 0.000 0.335 355 H C -0.785 174.308 175.328 -0.391 0.000 1.115 355 H CA -1.058 54.825 56.048 -0.275 0.000 1.219 355 H CB 1.668 31.361 29.762 -0.115 0.000 1.471 355 H HN 0.182 nan 8.280 nan 0.000 0.491 356 S N 2.962 118.486 115.700 -0.293 0.000 2.466 356 S HA 0.140 4.631 4.470 0.036 0.000 0.313 356 S C -0.244 174.273 174.600 -0.139 0.000 1.078 356 S CA -0.642 57.403 58.200 -0.260 0.000 1.115 356 S CB -0.211 62.876 63.200 -0.187 0.000 1.006 356 S HN 0.662 nan 8.310 nan 0.000 0.487 357 N N 1.186 119.798 118.700 -0.147 0.000 2.741 357 N HA 0.328 5.090 4.740 0.036 0.000 0.310 357 N C 0.422 175.890 175.510 -0.069 0.000 1.295 357 N CA -0.875 52.129 53.050 -0.077 0.000 0.893 357 N CB 0.767 39.251 38.487 -0.005 0.000 1.247 357 N HN 0.158 nan 8.380 nan 0.000 0.596 358 D N -0.014 120.358 120.400 -0.047 0.000 2.351 358 D HA -0.079 4.582 4.640 0.036 0.000 0.216 358 D C -0.331 175.947 176.300 -0.037 0.000 0.968 358 D CA 1.300 55.279 54.000 -0.034 0.000 0.899 358 D CB 0.112 40.899 40.800 -0.021 0.000 0.907 358 D HN 0.436 nan 8.370 nan 0.000 0.514 359 Q N -0.634 119.139 119.800 -0.045 0.000 2.616 359 Q HA 0.476 4.838 4.340 0.036 0.000 0.250 359 Q C 0.905 176.853 176.000 -0.087 0.000 0.991 359 Q CA -0.333 55.442 55.803 -0.046 0.000 0.707 359 Q CB 1.771 30.497 28.738 -0.020 0.000 1.247 359 Q HN 0.022 nan 8.270 nan 0.000 0.491 360 G N 2.084 110.825 108.800 -0.099 0.000 2.685 360 G HA2 -0.408 3.574 3.960 0.036 0.000 0.357 360 G HA3 -0.408 3.574 3.960 0.036 0.000 0.357 360 G C -0.139 174.616 174.900 -0.243 0.000 1.272 360 G CA 0.076 45.096 45.100 -0.134 0.000 0.972 360 G HN 0.982 nan 8.290 nan 0.000 0.550 361 S N -1.895 113.651 115.700 -0.256 0.000 3.294 361 S HA 0.464 4.956 4.470 0.036 0.000 0.853 361 S C 0.517 174.898 174.600 -0.365 0.000 1.111 361 S CA 1.291 59.244 58.200 -0.410 0.000 1.104 361 S CB -1.126 61.478 63.200 -0.993 0.000 0.765 361 S HN 3.051 nan 8.310 nan 0.000 0.265 362 G N 1.294 109.899 108.800 -0.325 0.000 2.542 362 G HA2 0.337 4.319 3.960 0.036 0.000 0.391 362 G HA3 0.337 4.319 3.960 0.036 0.000 0.391 362 G C -1.583 173.231 174.900 -0.143 0.000 1.551 362 G CA -0.994 43.953 45.100 -0.254 0.000 0.946 362 G HN 0.792 nan 8.290 nan 0.000 0.662 363 Y N 0.271 120.636 120.300 0.108 0.000 2.387 363 Y HA 0.780 5.351 4.550 0.036 0.000 0.336 363 Y C 0.676 176.703 175.900 0.212 0.000 1.067 363 Y CA -0.067 58.119 58.100 0.144 0.000 1.114 363 Y CB 2.525 41.010 38.460 0.043 0.000 1.208 363 Y HN 1.229 nan 8.280 nan 0.000 0.458 364 A N 1.734 124.838 122.820 0.473 0.000 2.466 364 A HA 0.763 5.104 4.320 0.036 0.000 0.284 364 A C -0.968 176.838 177.584 0.372 0.000 1.049 364 A CA -0.574 51.679 52.037 0.362 0.000 0.760 364 A CB 0.236 19.430 19.000 0.324 0.000 1.274 364 A HN 0.879 nan 8.150 nan 0.000 0.412 365 A N 1.858 124.826 122.820 0.247 0.000 2.425 365 A HA 0.502 4.843 4.320 0.036 0.000 0.249 365 A C 0.097 177.791 177.584 0.184 0.000 1.084 365 A CA -0.057 52.085 52.037 0.176 0.000 0.781 365 A CB 0.129 19.167 19.000 0.063 0.000 1.019 365 A HN 0.780 nan 8.150 nan 0.000 0.490 366 D N 1.984 122.475 120.400 0.152 0.000 2.470 366 D HA 0.110 4.772 4.640 0.036 0.000 0.226 366 D C 1.041 177.426 176.300 0.142 0.000 1.196 366 D CA 0.162 54.281 54.000 0.199 0.000 0.979 366 D CB 0.172 41.055 40.800 0.138 0.000 1.059 366 D HN 0.513 nan 8.370 nan 0.000 0.515 367 K N 1.979 122.444 120.400 0.109 0.000 2.152 367 K HA -0.216 4.126 4.320 0.036 0.000 0.206 367 K C 1.589 178.230 176.600 0.070 0.000 1.048 367 K CA 1.009 57.329 56.287 0.054 0.000 0.933 367 K CB 0.207 32.725 32.500 0.030 0.000 0.721 367 K HN 0.548 nan 8.250 nan 0.000 0.447 368 E N 1.036 121.294 120.200 0.097 0.000 2.038 368 E HA -0.210 4.162 4.350 0.036 0.000 0.195 368 E C 1.899 178.570 176.600 0.118 0.000 1.000 368 E CA 2.093 58.550 56.400 0.095 0.000 0.803 368 E CB -0.035 29.723 29.700 0.097 0.000 0.750 368 E HN 0.263 nan 8.360 nan 0.000 0.448 369 S N -1.016 114.778 115.700 0.157 0.000 2.461 369 S HA -0.045 4.446 4.470 0.036 0.000 0.228 369 S C 1.961 176.759 174.600 0.331 0.000 1.005 369 S CA 1.167 59.491 58.200 0.206 0.000 0.942 369 S CB -0.222 63.091 63.200 0.188 0.000 0.776 369 S HN 0.237 nan 8.310 nan 0.000 0.514 370 T N 1.778 116.476 114.554 0.240 0.000 2.951 370 T HA 0.051 4.423 4.350 0.036 0.000 0.268 370 T C 1.938 176.698 174.700 0.101 0.000 1.073 370 T CA 0.926 63.096 62.100 0.118 0.000 1.134 370 T CB -0.179 68.644 68.868 -0.077 0.000 0.884 370 T HN 0.332 nan 8.240 nan 0.000 0.479 371 Q N 1.236 121.087 119.800 0.085 0.000 2.020 371 Q HA 0.017 4.379 4.340 0.036 0.000 0.198 371 Q C 2.322 178.399 176.000 0.128 0.000 0.974 371 Q CA 1.163 57.005 55.803 0.064 0.000 0.829 371 Q CB -0.356 28.407 28.738 0.042 0.000 0.894 371 Q HN 0.460 nan 8.270 nan 0.000 0.433 372 K N 0.224 120.714 120.400 0.150 0.000 2.218 372 K HA -0.160 4.182 4.320 0.036 0.000 0.205 372 K C 1.770 178.527 176.600 0.261 0.000 1.046 372 K CA 1.216 57.605 56.287 0.170 0.000 0.933 372 K CB 0.039 32.626 32.500 0.144 0.000 0.728 372 K HN 0.141 nan 8.250 nan 0.000 0.454 373 A N 0.294 123.314 122.820 0.334 0.000 1.861 373 A HA 0.017 4.359 4.320 0.036 0.000 0.212 373 A C 2.537 180.443 177.584 0.537 0.000 1.199 373 A CA 1.279 53.606 52.037 0.484 0.000 0.613 373 A CB -1.204 18.148 19.000 0.586 0.000 0.846 373 A HN 0.370 nan 8.150 nan 0.000 0.446 374 F N 0.412 120.626 119.950 0.440 0.000 2.202 374 F HA -0.181 4.368 4.527 0.036 0.000 0.301 374 F C 2.044 177.947 175.800 0.171 0.000 1.082 374 F CA 2.185 60.332 58.000 0.244 0.000 1.313 374 F CB -1.124 37.834 39.000 -0.070 0.000 1.024 374 F HN 0.344 nan 8.300 nan 0.000 0.495 375 D N 0.053 120.542 120.400 0.149 0.000 2.084 375 D HA -0.023 4.639 4.640 0.036 0.000 0.194 375 D C 2.590 178.952 176.300 0.103 0.000 0.990 375 D CA 1.732 55.794 54.000 0.103 0.000 0.826 375 D CB -1.180 39.674 40.800 0.090 0.000 0.971 375 D HN 0.376 nan 8.370 nan 0.000 0.453 376 G N 1.332 110.215 108.800 0.139 0.000 2.453 376 G HA2 -0.195 3.787 3.960 0.036 0.000 0.215 376 G HA3 -0.195 3.787 3.960 0.036 0.000 0.215 376 G C 1.589 176.500 174.900 0.017 0.000 1.201 376 G CA 0.281 45.416 45.100 0.058 0.000 0.784 376 G HN 0.168 nan 8.290 nan 0.000 0.545 377 I N 1.596 122.224 120.570 0.097 0.000 2.399 377 I HA -0.154 4.037 4.170 0.036 0.000 0.254 377 I C 2.811 178.982 176.117 0.091 0.000 1.146 377 I CA 1.454 62.810 61.300 0.092 0.000 1.412 377 I CB -1.372 36.776 38.000 0.247 0.000 1.076 377 I HN 0.120 nan 8.210 nan 0.000 0.432 378 T N 1.039 115.652 114.554 0.099 0.000 2.701 378 T HA -0.150 4.221 4.350 0.036 0.000 0.263 378 T C 1.653 176.375 174.700 0.037 0.000 1.040 378 T CA 1.780 63.921 62.100 0.068 0.000 1.147 378 T CB -0.265 68.637 68.868 0.057 0.000 0.865 378 T HN 0.329 nan 8.240 nan 0.000 0.426 379 N N 0.750 119.463 118.700 0.022 0.000 2.223 379 N HA -0.062 4.700 4.740 0.036 0.000 0.185 379 N C 1.695 177.201 175.510 -0.006 0.000 1.016 379 N CA 0.866 53.919 53.050 0.005 0.000 0.863 379 N CB -0.120 38.365 38.487 -0.003 0.000 0.983 379 N HN 0.420 nan 8.380 nan 0.000 0.429 380 K N 0.751 121.139 120.400 -0.021 0.000 2.002 380 K HA -0.092 4.250 4.320 0.036 0.000 0.209 380 K C 1.609 178.214 176.600 0.008 0.000 1.048 380 K CA 1.134 57.405 56.287 -0.026 0.000 0.930 380 K CB -0.197 32.268 32.500 -0.059 0.000 0.714 380 K HN -0.053 nan 8.250 nan 0.000 0.438 381 V N 2.233 122.163 119.914 0.027 0.000 2.332 381 V HA -0.262 3.880 4.120 0.036 0.000 0.248 381 V C 1.992 178.107 176.094 0.034 0.000 1.055 381 V CA 2.044 64.369 62.300 0.042 0.000 1.038 381 V CB -0.710 31.146 31.823 0.056 0.000 0.651 381 V HN 0.429 nan 8.190 nan 0.000 0.450 382 N N 0.041 118.756 118.700 0.024 0.000 2.106 382 N HA -0.111 4.651 4.740 0.036 0.000 0.188 382 N C 2.137 177.654 175.510 0.012 0.000 1.029 382 N CA 1.684 54.743 53.050 0.016 0.000 0.848 382 N CB -0.603 37.891 38.487 0.012 0.000 1.007 382 N HN 0.348 nan 8.380 nan 0.000 0.423 383 S N 0.532 116.239 115.700 0.012 0.000 2.359 383 S HA -0.106 4.386 4.470 0.036 0.000 0.223 383 S C 2.207 176.822 174.600 0.025 0.000 1.039 383 S CA 0.995 59.203 58.200 0.013 0.000 1.042 383 S CB -0.505 62.700 63.200 0.009 0.000 0.915 383 S HN 0.091 nan 8.310 nan 0.000 0.439 384 V N 1.610 121.547 119.914 0.038 0.000 2.380 384 V HA -0.220 3.921 4.120 0.036 0.000 0.251 384 V C 1.840 177.967 176.094 0.056 0.000 1.063 384 V CA 1.715 64.057 62.300 0.070 0.000 1.055 384 V CB -0.607 31.267 31.823 0.086 0.000 0.657 384 V HN 0.431 nan 8.190 nan 0.000 0.455 385 I N -0.907 119.675 120.570 0.020 0.000 2.731 385 I HA -0.073 4.119 4.170 0.036 0.000 0.235 385 I C 2.346 178.431 176.117 -0.054 0.000 1.064 385 I CA 0.783 62.065 61.300 -0.029 0.000 1.439 385 I CB -0.586 37.404 38.000 -0.016 0.000 1.255 385 I HN 0.165 nan 8.210 nan 0.000 0.446 386 E N 1.316 121.498 120.200 -0.030 0.000 2.284 386 E HA -0.240 4.132 4.350 0.036 0.000 0.200 386 E C 1.724 178.305 176.600 -0.032 0.000 1.008 386 E CA 1.045 57.426 56.400 -0.031 0.000 0.829 386 E CB -0.066 29.625 29.700 -0.015 0.000 0.744 386 E HN 0.383 nan 8.360 nan 0.000 0.491 387 K N 0.022 120.410 120.400 -0.021 0.000 2.400 387 K HA 0.059 4.401 4.320 0.036 0.000 0.194 387 K C 0.636 177.224 176.600 -0.021 0.000 1.033 387 K CA -0.187 56.096 56.287 -0.007 0.000 1.021 387 K CB 0.083 32.595 32.500 0.020 0.000 0.808 387 K HN 0.074 nan 8.250 nan 0.000 0.505 388 M N 2.196 121.750 119.600 -0.076 0.000 2.260 388 M HA -0.052 4.449 4.480 0.036 0.000 0.348 388 M C -0.158 176.058 176.300 -0.140 0.000 1.342 388 M CA 0.567 55.771 55.300 -0.160 0.000 1.040 388 M CB -0.066 32.339 32.600 -0.324 0.000 1.810 388 M HN -0.004 nan 8.290 nan 0.000 0.453 389 N N 2.086 120.710 118.700 -0.127 0.000 2.499 389 N HA 0.341 5.103 4.740 0.036 0.000 0.281 389 N C -1.359 174.063 175.510 -0.146 0.000 1.098 389 N CA -0.232 52.762 53.050 -0.094 0.000 0.979 389 N CB 0.694 39.163 38.487 -0.031 0.000 1.121 389 N HN 0.726 nan 8.380 nan 0.000 0.466 390 T N 1.823 116.315 114.554 -0.104 0.000 3.031 390 T HA 0.268 4.640 4.350 0.036 0.000 0.305 390 T C -1.190 173.480 174.700 -0.051 0.000 0.985 390 T CA -0.532 61.505 62.100 -0.106 0.000 1.008 390 T CB 0.938 69.737 68.868 -0.115 0.000 1.005 390 T HN 0.555 nan 8.240 nan 0.000 0.444 391 Q N 2.425 122.201 119.800 -0.040 0.000 2.572 391 Q HA 0.576 4.938 4.340 0.036 0.000 0.284 391 Q C -1.100 174.927 176.000 0.047 0.000 1.091 391 Q CA -1.065 54.750 55.803 0.020 0.000 0.840 391 Q CB 2.003 30.759 28.738 0.029 0.000 1.433 391 Q HN 0.712 nan 8.270 nan 0.000 0.471 392 F N 0.661 120.590 119.950 -0.035 0.000 2.427 392 F HA 0.484 5.030 4.527 0.032 0.000 0.352 392 F C -0.218 175.565 175.800 -0.027 0.000 1.100 392 F CA 0.364 58.345 58.000 -0.032 0.000 1.191 392 F CB 0.465 39.450 39.000 -0.025 0.000 1.128 392 F HN 0.627 nan 8.300 nan 0.000 0.533 393 E N 3.777 123.666 120.200 -0.517 0.000 2.363 393 E HA 0.679 5.051 4.350 0.036 0.000 0.281 393 E C -1.988 174.371 176.600 -0.402 0.000 0.953 393 E CA -0.573 55.679 56.400 -0.247 0.000 0.778 393 E CB 1.006 30.634 29.700 -0.120 0.000 1.220 393 E HN 1.089 nan 8.360 nan 0.000 0.431 394 A N 1.190 123.911 122.820 -0.165 0.000 2.292 394 A HA 0.672 5.014 4.320 0.036 0.000 0.319 394 A C 0.898 178.446 177.584 -0.058 0.000 1.206 394 A CA -0.081 51.879 52.037 -0.128 0.000 0.835 394 A CB 1.050 20.034 19.000 -0.027 0.000 1.164 394 A HN 1.089 nan 8.150 nan 0.000 0.505 395 V N 2.587 122.461 119.914 -0.067 0.000 2.685 395 V HA 0.107 4.249 4.120 0.036 0.000 0.244 395 V C 1.572 177.668 176.094 0.004 0.000 1.054 395 V CA 1.391 63.674 62.300 -0.028 0.000 1.076 395 V CB -0.620 31.174 31.823 -0.047 0.000 0.725 395 V HN 0.928 nan 8.190 nan 0.000 0.467 396 G N 2.430 111.225 108.800 -0.008 0.000 2.325 396 G HA2 0.503 4.484 3.960 0.036 0.000 0.298 396 G HA3 0.503 4.484 3.960 0.036 0.000 0.298 396 G C -0.277 174.614 174.900 -0.015 0.000 1.134 396 G CA -0.331 44.773 45.100 0.007 0.000 0.876 396 G HN 0.352 nan 8.290 nan 0.000 0.452 397 K N 1.594 121.976 120.400 -0.030 0.000 2.316 397 K HA 0.635 4.977 4.320 0.036 0.000 0.234 397 K C -0.930 175.483 176.600 -0.311 0.000 1.054 397 K CA -0.925 55.259 56.287 -0.173 0.000 0.879 397 K CB 1.951 34.300 32.500 -0.251 0.000 1.252 397 K HN 0.349 nan 8.250 nan 0.000 0.471 398 E N 0.620 120.517 120.200 -0.506 0.000 2.195 398 E HA 0.498 4.870 4.350 0.036 0.000 0.271 398 E C -1.033 175.127 176.600 -0.733 0.000 0.923 398 E CA -0.613 55.528 56.400 -0.432 0.000 0.790 398 E CB 1.229 30.753 29.700 -0.294 0.000 1.155 398 E HN 0.387 nan 8.360 nan 0.000 0.402 399 F N 0.118 120.055 119.950 -0.023 0.000 2.578 399 F HA 0.220 4.763 4.527 0.027 0.000 0.311 399 F C 0.843 176.649 175.800 0.009 0.000 1.094 399 F CA -0.952 57.044 58.000 -0.006 0.000 0.923 399 F CB 1.713 40.712 39.000 -0.002 0.000 1.230 399 F HN 0.306 nan 8.300 nan 0.000 0.450 400 S N 0.481 116.304 115.700 0.205 0.000 2.608 400 S HA 0.118 4.610 4.470 0.036 0.000 0.261 400 S C 0.846 175.523 174.600 0.129 0.000 1.314 400 S CA -0.327 57.961 58.200 0.146 0.000 0.992 400 S CB 0.741 64.022 63.200 0.135 0.000 0.935 400 S HN 0.704 nan 8.310 nan 0.000 0.564 401 N N -0.322 118.437 118.700 0.098 0.000 2.381 401 N HA 0.034 4.796 4.740 0.036 0.000 0.182 401 N C 0.746 176.290 175.510 0.057 0.000 1.025 401 N CA 0.743 53.836 53.050 0.071 0.000 0.888 401 N CB -0.397 38.127 38.487 0.060 0.000 0.965 401 N HN 0.555 nan 8.380 nan 0.000 0.438 402 L N 0.555 121.818 121.223 0.066 0.000 2.791 402 L HA 0.249 4.610 4.340 0.036 0.000 0.239 402 L C 0.035 176.937 176.870 0.052 0.000 1.203 402 L CA 0.560 55.430 54.840 0.050 0.000 1.002 402 L CB -0.322 41.767 42.059 0.050 0.000 1.295 402 L HN 0.191 nan 8.230 nan 0.000 0.504 403 E N -1.056 119.183 120.200 0.064 0.000 2.887 403 E HA 0.033 4.404 4.350 0.036 0.000 0.206 403 E C 0.921 177.501 176.600 -0.033 0.000 0.983 403 E CA -0.261 56.175 56.400 0.059 0.000 1.141 403 E CB 0.814 30.622 29.700 0.179 0.000 1.061 403 E HN -0.052 nan 8.360 nan 0.000 0.468 404 K N 1.317 121.696 120.400 -0.035 0.000 2.020 404 K HA -0.133 4.209 4.320 0.036 0.000 0.212 404 K C 1.844 178.361 176.600 -0.137 0.000 1.050 404 K CA 1.413 57.654 56.287 -0.077 0.000 0.929 404 K CB -0.119 32.357 32.500 -0.040 0.000 0.714 404 K HN 0.102 nan 8.250 nan 0.000 0.443 405 R N -0.116 120.323 120.500 -0.101 0.000 2.080 405 R HA -0.149 4.212 4.340 0.036 0.000 0.236 405 R C 2.259 178.457 176.300 -0.170 0.000 1.137 405 R CA 1.565 57.601 56.100 -0.107 0.000 0.943 405 R CB -0.713 29.549 30.300 -0.063 0.000 0.846 405 R HN 0.120 nan 8.270 nan 0.000 0.431 406 L N 1.600 122.715 121.223 -0.180 0.000 2.013 406 L HA -0.233 4.129 4.340 0.036 0.000 0.212 406 L C 2.222 178.722 176.870 -0.617 0.000 1.073 406 L CA 2.002 56.697 54.840 -0.241 0.000 0.753 406 L CB -0.632 41.376 42.059 -0.085 0.000 0.890 406 L HN 0.242 nan 8.230 nan 0.000 0.432 407 E N -0.916 118.694 120.200 -0.983 0.000 2.110 407 E HA -0.301 4.071 4.350 0.036 0.000 0.193 407 E C 1.951 178.198 176.600 -0.589 0.000 0.988 407 E CA 1.477 57.018 56.400 -1.431 0.000 0.804 407 E CB -0.174 29.008 29.700 -0.864 0.000 0.745 407 E HN 0.659 nan 8.360 nan 0.000 0.458 408 N N 0.100 118.594 118.700 -0.343 0.000 2.171 408 N HA -0.140 4.622 4.740 0.036 0.000 0.184 408 N C 1.903 177.323 175.510 -0.151 0.000 1.021 408 N CA 0.734 53.672 53.050 -0.187 0.000 0.854 408 N CB -0.194 38.215 38.487 -0.130 0.000 0.994 408 N HN 0.174 nan 8.380 nan 0.000 0.426 409 L N 1.034 122.161 121.223 -0.160 0.000 2.043 409 L HA -0.171 4.190 4.340 0.036 0.000 0.212 409 L C 1.836 178.663 176.870 -0.071 0.000 1.075 409 L CA 1.885 56.665 54.840 -0.100 0.000 0.752 409 L CB -0.944 41.065 42.059 -0.082 0.000 0.891 409 L HN 0.378 nan 8.230 nan 0.000 0.432 410 N N -0.646 117.993 118.700 -0.102 0.000 2.244 410 N HA -0.259 4.503 4.740 0.036 0.000 0.183 410 N C 1.951 177.473 175.510 0.020 0.000 1.016 410 N CA 1.542 54.595 53.050 0.006 0.000 0.866 410 N CB -0.258 38.289 38.487 0.100 0.000 0.980 410 N HN 0.450 nan 8.380 nan 0.000 0.430 411 K N 0.822 121.202 120.400 -0.034 0.000 2.031 411 K HA -0.170 4.171 4.320 0.036 0.000 0.205 411 K C 2.041 178.637 176.600 -0.007 0.000 1.049 411 K CA 1.181 57.462 56.287 -0.009 0.000 0.939 411 K CB -0.212 32.269 32.500 -0.033 0.000 0.717 411 K HN 0.131 nan 8.250 nan 0.000 0.438 412 K N 0.577 120.957 120.400 -0.034 0.000 2.209 412 K HA -0.122 4.220 4.320 0.036 0.000 0.204 412 K C 2.191 178.761 176.600 -0.050 0.000 1.048 412 K CA 1.246 57.507 56.287 -0.044 0.000 0.940 412 K CB -0.065 32.400 32.500 -0.059 0.000 0.729 412 K HN 0.215 nan 8.250 nan 0.000 0.451 413 M N 0.556 120.143 119.600 -0.022 0.000 2.132 413 M HA -0.149 4.353 4.480 0.036 0.000 0.263 413 M C 1.396 177.743 176.300 0.079 0.000 1.065 413 M CA 1.642 56.935 55.300 -0.011 0.000 1.122 413 M CB -0.089 32.555 32.600 0.073 0.000 1.365 413 M HN 0.168 nan 8.290 nan 0.000 0.411 414 E N 0.694 120.973 120.200 0.131 0.000 2.051 414 E HA -0.197 4.175 4.350 0.036 0.000 0.192 414 E C 1.639 178.335 176.600 0.159 0.000 0.991 414 E CA 1.393 57.907 56.400 0.191 0.000 0.799 414 E CB -0.552 29.221 29.700 0.121 0.000 0.748 414 E HN 0.558 nan 8.360 nan 0.000 0.449 415 D N 0.307 120.752 120.400 0.074 0.000 2.104 415 D HA -0.115 4.547 4.640 0.036 0.000 0.194 415 D C 1.997 178.311 176.300 0.022 0.000 0.994 415 D CA 1.474 55.505 54.000 0.052 0.000 0.830 415 D CB -0.742 40.064 40.800 0.011 0.000 0.959 415 D HN 0.290 nan 8.370 nan 0.000 0.452 416 G N 0.151 108.912 108.800 -0.065 0.000 2.529 416 G HA2 -0.299 3.682 3.960 0.036 0.000 0.219 416 G HA3 -0.299 3.682 3.960 0.036 0.000 0.219 416 G C 1.401 176.195 174.900 -0.177 0.000 1.177 416 G CA 0.604 45.590 45.100 -0.191 0.000 0.773 416 G HN 0.207 nan 8.290 nan 0.000 0.573 417 F N -0.034 119.952 119.950 0.060 0.000 2.325 417 F HA 0.166 4.712 4.527 0.031 0.000 0.299 417 F C 2.345 178.268 175.800 0.206 0.000 1.090 417 F CA 0.373 58.442 58.000 0.114 0.000 1.392 417 F CB -0.447 38.682 39.000 0.214 0.000 1.053 417 F HN 0.116 nan 8.300 nan 0.000 0.521 418 L N 0.099 121.522 121.223 0.334 0.000 2.056 418 L HA -0.166 4.196 4.340 0.036 0.000 0.207 418 L C 1.868 178.856 176.870 0.197 0.000 1.078 418 L CA 1.828 56.846 54.840 0.296 0.000 0.749 418 L CB -0.708 41.494 42.059 0.238 0.000 0.901 418 L HN -0.094 nan 8.230 nan 0.000 0.433 419 D N -0.947 119.515 120.400 0.102 0.000 2.144 419 D HA -0.157 4.504 4.640 0.036 0.000 0.199 419 D C 2.325 178.650 176.300 0.040 0.000 0.984 419 D CA 1.466 55.493 54.000 0.044 0.000 0.834 419 D CB -0.275 40.509 40.800 -0.027 0.000 0.955 419 D HN 0.251 nan 8.370 nan 0.000 0.465 420 V N -0.285 119.630 119.914 0.001 0.000 2.270 420 V HA -0.192 3.950 4.120 0.036 0.000 0.245 420 V C 2.042 178.105 176.094 -0.051 0.000 1.043 420 V CA 1.336 63.581 62.300 -0.092 0.000 1.014 420 V CB -0.651 31.034 31.823 -0.230 0.000 0.645 420 V HN 0.287 nan 8.190 nan 0.000 0.447 421 W N 0.102 121.501 121.300 0.164 0.000 2.421 421 W HA -0.149 4.531 4.660 0.033 0.000 0.270 421 W C 2.549 179.107 176.519 0.066 0.000 1.233 421 W CA 1.294 58.733 57.345 0.157 0.000 1.226 421 W CB -0.499 29.077 29.460 0.195 0.000 1.121 421 W HN 0.153 nan 8.180 nan 0.000 0.579 422 T N -0.650 114.044 114.554 0.233 0.000 2.668 422 T HA -0.252 4.119 4.350 0.036 0.000 0.258 422 T C 1.325 176.069 174.700 0.073 0.000 1.051 422 T CA 1.417 63.568 62.100 0.084 0.000 1.155 422 T CB -0.873 68.029 68.868 0.057 0.000 0.864 422 T HN 0.047 nan 8.240 nan 0.000 0.413 423 Y N 2.864 123.148 120.300 -0.028 0.000 2.002 423 Y HA -0.329 4.243 4.550 0.036 0.000 0.268 423 Y C 2.396 178.271 175.900 -0.040 0.000 1.177 423 Y CA 2.020 60.093 58.100 -0.044 0.000 1.111 423 Y CB -0.771 37.658 38.460 -0.053 0.000 0.952 423 Y HN 0.163 nan 8.280 nan 0.000 0.491 424 N N -0.047 118.729 118.700 0.126 0.000 2.049 424 N HA -0.281 4.481 4.740 0.036 0.000 0.198 424 N C 1.904 177.418 175.510 0.005 0.000 1.030 424 N CA 2.053 55.134 53.050 0.051 0.000 0.870 424 N CB -1.042 37.486 38.487 0.069 0.000 1.045 424 N HN 0.554 nan 8.380 nan 0.000 0.434 425 A N 0.330 123.150 122.820 0.000 0.000 1.930 425 A HA -0.100 4.242 4.320 0.036 0.000 0.217 425 A C 2.201 179.651 177.584 -0.223 0.000 1.175 425 A CA 1.585 53.507 52.037 -0.192 0.000 0.627 425 A CB -0.573 17.997 19.000 -0.715 0.000 0.815 425 A HN 0.341 nan 8.150 nan 0.000 0.443 426 E N -0.175 119.900 120.200 -0.209 0.000 2.110 426 E HA -0.105 4.267 4.350 0.036 0.000 0.193 426 E C 1.882 178.358 176.600 -0.206 0.000 0.988 426 E CA 1.034 57.313 56.400 -0.201 0.000 0.804 426 E CB -0.144 29.451 29.700 -0.175 0.000 0.745 426 E HN 0.597 nan 8.360 nan 0.000 0.458 427 L N -0.234 120.833 121.223 -0.261 0.000 2.127 427 L HA -0.042 4.320 4.340 0.036 0.000 0.203 427 L C 2.402 179.190 176.870 -0.138 0.000 1.080 427 L CA 0.472 55.167 54.840 -0.242 0.000 0.768 427 L CB -0.428 41.419 42.059 -0.354 0.000 0.924 427 L HN 0.263 nan 8.230 nan 0.000 0.444 428 L N -0.329 120.835 121.223 -0.099 0.000 2.189 428 L HA -0.202 4.160 4.340 0.036 0.000 0.214 428 L C 2.246 179.093 176.870 -0.039 0.000 1.097 428 L CA 1.267 56.084 54.840 -0.039 0.000 0.764 428 L CB -0.164 41.906 42.059 0.020 0.000 0.900 428 L HN -0.074 nan 8.230 nan 0.000 0.436 429 V N -0.857 119.016 119.914 -0.067 0.000 2.302 429 V HA -0.241 3.901 4.120 0.036 0.000 0.243 429 V C 2.331 178.392 176.094 -0.055 0.000 1.036 429 V CA 1.645 63.912 62.300 -0.056 0.000 1.020 429 V CB -0.246 31.530 31.823 -0.077 0.000 0.657 429 V HN 0.353 nan 8.190 nan 0.000 0.453 430 L N -0.806 120.371 121.223 -0.076 0.000 1.933 430 L HA -0.172 4.190 4.340 0.036 0.000 0.220 430 L C 1.473 178.311 176.870 -0.053 0.000 1.078 430 L CA 1.485 56.284 54.840 -0.069 0.000 0.773 430 L CB -0.632 41.373 42.059 -0.089 0.000 0.890 430 L HN 0.308 nan 8.230 nan 0.000 0.434 431 M N -0.041 119.524 119.600 -0.058 0.000 2.243 431 M HA -0.104 4.398 4.480 0.036 0.000 0.309 431 M C 0.983 177.265 176.300 -0.031 0.000 1.050 431 M CA 0.586 55.861 55.300 -0.041 0.000 1.139 431 M CB 0.197 32.771 32.600 -0.043 0.000 1.457 431 M HN 0.231 nan 8.290 nan 0.000 0.440 432 E N -0.944 119.243 120.200 -0.023 0.000 4.278 432 E HA -0.214 4.158 4.350 0.036 0.000 0.339 432 E C 0.606 177.200 176.600 -0.010 0.000 0.624 432 E CA 1.676 58.063 56.400 -0.021 0.000 1.405 432 E CB -1.243 28.447 29.700 -0.017 0.000 1.797 432 E HN 0.844 nan 8.360 nan 0.000 0.400 433 N N 0.447 119.141 118.700 -0.010 0.000 2.349 433 N HA -0.030 4.732 4.740 0.036 0.000 0.180 433 N C 1.614 177.126 175.510 0.003 0.000 1.024 433 N CA 1.334 54.384 53.050 -0.001 0.000 0.869 433 N CB -0.218 38.262 38.487 -0.012 0.000 1.022 433 N HN 0.108 nan 8.380 nan 0.000 0.433 434 E N 0.415 120.611 120.200 -0.007 0.000 2.267 434 E HA -0.038 4.334 4.350 0.036 0.000 0.197 434 E C 1.471 178.083 176.600 0.020 0.000 0.998 434 E CA 1.110 57.508 56.400 -0.003 0.000 0.830 434 E CB 0.010 29.701 29.700 -0.015 0.000 0.751 434 E HN 0.361 nan 8.360 nan 0.000 0.491 435 M N -1.868 117.743 119.600 0.018 0.000 2.615 435 M HA 0.046 4.548 4.480 0.036 0.000 0.262 435 M C 1.888 178.217 176.300 0.049 0.000 1.198 435 M CA 0.788 56.107 55.300 0.031 0.000 1.165 435 M CB 0.148 32.745 32.600 -0.005 0.000 1.310 435 M HN -0.025 nan 8.290 nan 0.000 0.494 436 T N 1.769 116.346 114.554 0.037 0.000 2.737 436 T HA -0.066 4.306 4.350 0.036 0.000 0.265 436 T C 1.817 176.624 174.700 0.179 0.000 1.038 436 T CA 1.106 63.251 62.100 0.074 0.000 1.144 436 T CB -0.070 68.842 68.868 0.073 0.000 0.866 436 T HN 0.056 nan 8.240 nan 0.000 0.434 437 L N 1.758 123.058 121.223 0.129 0.000 1.976 437 L HA -0.074 4.288 4.340 0.036 0.000 0.209 437 L C 2.164 179.096 176.870 0.102 0.000 1.071 437 L CA 1.772 56.676 54.840 0.107 0.000 0.746 437 L CB -1.013 41.054 42.059 0.014 0.000 0.890 437 L HN 0.189 nan 8.230 nan 0.000 0.432 438 D N -1.370 119.099 120.400 0.115 0.000 2.311 438 D HA -0.217 4.444 4.640 0.036 0.000 0.212 438 D C 2.022 178.432 176.300 0.184 0.000 0.972 438 D CA 0.702 54.818 54.000 0.193 0.000 0.887 438 D CB -0.151 40.788 40.800 0.231 0.000 0.915 438 D HN 0.261 nan 8.370 nan 0.000 0.497 439 F N 1.437 121.347 119.950 -0.067 0.000 2.128 439 F HA -0.143 4.406 4.527 0.037 0.000 0.295 439 F C 2.316 177.928 175.800 -0.314 0.000 1.100 439 F CA 1.420 59.291 58.000 -0.215 0.000 1.260 439 F CB -0.266 38.590 39.000 -0.240 0.000 1.009 439 F HN 0.017 nan 8.300 nan 0.000 0.476 440 H N -0.523 118.378 119.070 -0.282 0.000 2.290 440 H HA -0.187 4.391 4.556 0.036 0.000 0.298 440 H C 1.897 176.946 175.328 -0.466 0.000 1.087 440 H CA 1.960 57.763 56.048 -0.409 0.000 1.291 440 H CB -0.842 28.743 29.762 -0.294 0.000 1.369 440 H HN 0.272 nan 8.280 nan 0.000 0.492 441 D N 0.321 120.601 120.400 -0.200 0.000 2.203 441 D HA -0.147 4.515 4.640 0.036 0.000 0.199 441 D C 2.326 178.433 176.300 -0.320 0.000 0.997 441 D CA 1.485 55.354 54.000 -0.218 0.000 0.863 441 D CB -0.132 40.646 40.800 -0.036 0.000 0.928 441 D HN 0.220 nan 8.370 nan 0.000 0.458 442 S N -1.174 114.163 115.700 -0.606 0.000 2.470 442 S HA 0.002 4.494 4.470 0.036 0.000 0.225 442 S C 1.686 175.847 174.600 -0.730 0.000 1.006 442 S CA 0.326 57.881 58.200 -1.074 0.000 0.934 442 S CB -0.215 61.937 63.200 -1.747 0.000 0.778 442 S HN 0.194 nan 8.310 nan 0.000 0.517 443 N N 1.340 119.578 118.700 -0.770 0.000 2.216 443 N HA 0.008 4.770 4.740 0.036 0.000 0.183 443 N C 1.709 176.786 175.510 -0.721 0.000 1.017 443 N CA 1.148 53.700 53.050 -0.830 0.000 0.861 443 N CB -0.574 37.194 38.487 -1.198 0.000 0.986 443 N HN 0.257 nan 8.380 nan 0.000 0.428 444 V N 1.862 121.395 119.914 -0.634 0.000 2.221 444 V HA -0.226 3.916 4.120 0.036 0.000 0.242 444 V C 2.311 178.331 176.094 -0.125 0.000 1.041 444 V CA 1.775 63.874 62.300 -0.335 0.000 0.995 444 V CB -0.579 31.142 31.823 -0.169 0.000 0.635 444 V HN 0.298 nan 8.190 nan 0.000 0.448 445 K N 0.814 121.164 120.400 -0.085 0.000 2.442 445 K HA -0.218 4.124 4.320 0.036 0.000 0.200 445 K C 1.492 178.148 176.600 0.093 0.000 1.045 445 K CA 1.983 58.331 56.287 0.102 0.000 0.937 445 K CB -0.431 32.155 32.500 0.142 0.000 0.757 445 K HN 0.446 nan 8.250 nan 0.000 0.474 446 N N -0.412 118.246 118.700 -0.071 0.000 2.376 446 N HA -0.008 4.754 4.740 0.036 0.000 0.177 446 N C 1.081 176.583 175.510 -0.013 0.000 1.024 446 N CA 0.577 53.587 53.050 -0.067 0.000 0.893 446 N CB -0.005 38.373 38.487 -0.182 0.000 0.980 446 N HN 0.157 nan 8.380 nan 0.000 0.439 447 L N -0.584 120.627 121.223 -0.020 0.000 2.095 447 L HA 0.042 4.404 4.340 0.036 0.000 0.204 447 L C 1.674 178.629 176.870 0.142 0.000 1.080 447 L CA 1.248 56.106 54.840 0.031 0.000 0.759 447 L CB -0.856 41.180 42.059 -0.037 0.000 0.914 447 L HN 0.196 nan 8.230 nan 0.000 0.439 448 Y N 0.103 120.467 120.300 0.107 0.000 2.365 448 Y HA -0.264 4.307 4.550 0.036 0.000 0.287 448 Y C 1.809 177.829 175.900 0.200 0.000 1.162 448 Y CA 1.917 60.161 58.100 0.239 0.000 1.260 448 Y CB -0.051 38.613 38.460 0.341 0.000 0.976 448 Y HN 0.326 nan 8.280 nan 0.000 0.548 449 D N -0.931 119.561 120.400 0.153 0.000 2.338 449 D HA -0.061 4.601 4.640 0.036 0.000 0.208 449 D C 1.921 178.203 176.300 -0.030 0.000 0.997 449 D CA 0.508 54.538 54.000 0.049 0.000 0.880 449 D CB -0.176 40.679 40.800 0.092 0.000 0.980 449 D HN 0.283 nan 8.370 nan 0.000 0.509 450 K N 0.977 121.373 120.400 -0.007 0.000 2.280 450 K HA -0.077 4.265 4.320 0.036 0.000 0.202 450 K C 1.524 178.072 176.600 -0.086 0.000 1.047 450 K CA 0.702 56.977 56.287 -0.020 0.000 0.942 450 K CB 0.292 32.809 32.500 0.029 0.000 0.739 450 K HN -0.058 nan 8.250 nan 0.000 0.457 451 V N 0.623 120.444 119.914 -0.154 0.000 2.326 451 V HA -0.096 4.046 4.120 0.036 0.000 0.237 451 V C 2.412 178.157 176.094 -0.581 0.000 1.044 451 V CA 1.321 63.398 62.300 -0.371 0.000 1.035 451 V CB -0.469 31.098 31.823 -0.428 0.000 0.675 451 V HN 0.357 nan 8.190 nan 0.000 0.470 452 R N -0.137 119.991 120.500 -0.619 0.000 2.153 452 R HA -0.239 4.123 4.340 0.036 0.000 0.252 452 R C 2.089 178.222 176.300 -0.278 0.000 1.158 452 R CA 2.165 58.009 56.100 -0.427 0.000 0.975 452 R CB -0.250 29.995 30.300 -0.091 0.000 0.871 452 R HN 0.418 nan 8.270 nan 0.000 0.450 453 M N -0.276 119.197 119.600 -0.212 0.000 2.558 453 M HA -0.069 4.433 4.480 0.036 0.000 0.255 453 M C 1.807 178.001 176.300 -0.177 0.000 1.113 453 M CA 1.052 56.260 55.300 -0.154 0.000 1.097 453 M CB 0.234 32.780 32.600 -0.090 0.000 1.426 453 M HN 0.293 nan 8.290 nan 0.000 0.488 454 Q N -0.077 119.578 119.800 -0.242 0.000 2.134 454 Q HA -0.036 4.325 4.340 0.036 0.000 0.195 454 Q C 1.830 177.624 176.000 -0.344 0.000 0.958 454 Q CA 0.882 56.546 55.803 -0.232 0.000 0.840 454 Q CB 0.289 28.870 28.738 -0.262 0.000 0.918 454 Q HN 0.312 nan 8.270 nan 0.000 0.467 455 L N 0.326 121.231 121.223 -0.530 0.000 2.023 455 L HA -0.076 4.286 4.340 0.036 0.000 0.205 455 L C 1.168 177.923 176.870 -0.192 0.000 1.073 455 L CA 1.440 55.971 54.840 -0.515 0.000 0.745 455 L CB -0.756 40.872 42.059 -0.719 0.000 0.900 455 L HN 0.243 nan 8.230 nan 0.000 0.435 456 R N -0.253 120.120 120.500 -0.212 0.000 3.992 456 R HA -0.272 4.090 4.340 0.036 0.000 0.330 456 R C 1.047 177.339 176.300 -0.013 0.000 0.242 456 R CA 1.504 57.523 56.100 -0.135 0.000 1.095 456 R CB -2.122 28.008 30.300 -0.285 0.000 1.002 456 R HN 0.461 nan 8.270 nan 0.000 0.559 457 D N 1.222 121.685 120.400 0.105 0.000 2.339 457 D HA 0.020 4.682 4.640 0.036 0.000 0.217 457 D C 0.924 177.424 176.300 0.334 0.000 1.050 457 D CA 0.382 54.509 54.000 0.211 0.000 0.856 457 D CB -0.444 40.499 40.800 0.238 0.000 0.922 457 D HN 0.275 nan 8.370 nan 0.000 0.518 458 N N 0.219 119.152 118.700 0.387 0.000 2.519 458 N HA -0.023 4.739 4.740 0.036 0.000 0.186 458 N C 0.485 176.115 175.510 0.200 0.000 1.062 458 N CA 0.861 54.187 53.050 0.459 0.000 0.910 458 N CB 0.349 39.219 38.487 0.638 0.000 0.958 458 N HN 0.433 nan 8.380 nan 0.000 0.445 459 V N -3.428 116.424 119.914 -0.103 0.000 3.216 459 V HA 0.482 4.624 4.120 0.036 0.000 0.302 459 V C -0.928 174.866 176.094 -0.499 0.000 1.286 459 V CA -1.408 60.603 62.300 -0.482 0.000 1.048 459 V CB 2.337 33.752 31.823 -0.680 0.000 1.081 459 V HN 0.054 nan 8.190 nan 0.000 0.442 460 K N 0.646 120.638 120.400 -0.680 0.000 2.110 460 K HA 0.618 4.960 4.320 0.036 0.000 0.263 460 K C -0.586 175.871 176.600 -0.239 0.000 0.975 460 K CA -0.459 55.578 56.287 -0.416 0.000 0.895 460 K CB 2.554 34.796 32.500 -0.430 0.000 1.060 460 K HN 0.869 nan 8.250 nan 0.000 0.448 461 E N 3.127 123.200 120.200 -0.210 0.000 1.993 461 E HA 0.060 4.432 4.350 0.036 0.000 0.271 461 E C 0.167 176.608 176.600 -0.266 0.000 1.008 461 E CA -0.452 55.731 56.400 -0.362 0.000 0.814 461 E CB 0.434 29.963 29.700 -0.285 0.000 1.098 461 E HN 0.581 nan 8.360 nan 0.000 0.407 462 L N 3.254 124.326 121.223 -0.251 0.000 2.261 462 L HA -0.025 4.337 4.340 0.036 0.000 0.216 462 L C 1.787 178.597 176.870 -0.099 0.000 1.114 462 L CA 1.742 56.507 54.840 -0.125 0.000 0.777 462 L CB -0.395 41.624 42.059 -0.067 0.000 0.910 462 L HN 0.894 nan 8.230 nan 0.000 0.440 463 G N -0.579 108.136 108.800 -0.140 0.000 2.159 463 G HA2 -0.332 3.650 3.960 0.036 0.000 0.256 463 G HA3 -0.332 3.650 3.960 0.036 0.000 0.256 463 G C 0.708 175.589 174.900 -0.032 0.000 0.977 463 G CA 0.577 45.594 45.100 -0.138 0.000 0.652 463 G HN 0.521 nan 8.290 nan 0.000 0.531 464 N N -0.110 118.614 118.700 0.041 0.000 2.187 464 N HA 0.425 5.187 4.740 0.036 0.000 0.212 464 N C 1.527 177.165 175.510 0.214 0.000 1.152 464 N CA 0.868 53.998 53.050 0.133 0.000 0.872 464 N CB 0.284 38.829 38.487 0.097 0.000 1.025 464 N HN 1.544 nan 8.380 nan 0.000 0.514 465 G N -0.496 108.457 108.800 0.255 0.000 2.259 465 G HA2 -0.230 3.752 3.960 0.036 0.000 0.217 465 G HA3 -0.230 3.752 3.960 0.036 0.000 0.217 465 G C -0.112 175.045 174.900 0.428 0.000 1.001 465 G CA 0.007 45.354 45.100 0.412 0.000 0.627 465 G HN 0.434 nan 8.290 nan 0.000 0.501 466 c N 1.139 119.865 118.600 0.211 0.000 2.405 466 c HA 0.784 5.376 4.570 0.036 0.000 0.365 466 c C 0.173 174.202 174.090 -0.100 0.000 1.233 466 c CA -0.507 55.929 56.329 0.178 0.000 2.230 466 c CB -0.130 42.479 42.510 0.164 0.000 2.443 466 c HN 0.286 nan 8.230 nan 0.000 0.556 467 F N 0.993 120.960 119.950 0.028 0.000 2.469 467 F HA 0.436 4.985 4.527 0.036 0.000 0.332 467 F C 0.338 176.050 175.800 -0.146 0.000 1.103 467 F CA -0.450 57.467 58.000 -0.139 0.000 0.979 467 F CB 1.009 39.829 39.000 -0.300 0.000 1.137 467 F HN 0.560 nan 8.300 nan 0.000 0.463 468 E N 3.155 123.318 120.200 -0.061 0.000 2.133 468 E HA 0.326 4.698 4.350 0.036 0.000 0.274 468 E C -1.318 175.168 176.600 -0.190 0.000 0.930 468 E CA -0.693 55.672 56.400 -0.057 0.000 0.770 468 E CB 0.846 30.511 29.700 -0.059 0.000 1.104 468 E HN 0.437 nan 8.360 nan 0.000 0.403 469 F N 3.379 123.241 119.950 -0.146 0.000 2.504 469 F HA 0.028 4.577 4.527 0.036 0.000 0.369 469 F C 0.491 176.211 175.800 -0.132 0.000 1.082 469 F CA -0.025 57.826 58.000 -0.248 0.000 1.216 469 F CB 0.426 39.242 39.000 -0.307 0.000 1.108 469 F HN 0.615 nan 8.300 nan 0.000 0.554 470 Y N 3.400 123.699 120.300 -0.002 0.000 2.581 470 Y HA 0.117 4.689 4.550 0.036 0.000 0.346 470 Y C 0.194 176.235 175.900 0.236 0.000 1.147 470 Y CA -0.366 57.803 58.100 0.115 0.000 1.353 470 Y CB -1.815 36.740 38.460 0.158 0.000 1.187 470 Y HN 0.646 nan 8.280 nan 0.000 0.505 471 H N -3.762 115.552 119.070 0.406 0.000 2.886 471 H HA 0.422 5.000 4.556 0.036 0.000 0.259 471 H C -1.249 174.211 175.328 0.221 0.000 1.492 471 H CA -1.451 54.779 56.048 0.304 0.000 1.163 471 H CB 0.569 30.540 29.762 0.349 0.000 1.872 471 H HN -0.349 nan 8.280 nan 0.000 0.631 472 K N 0.303 120.946 120.400 0.406 0.000 2.156 472 K HA 0.554 4.896 4.320 0.036 0.000 0.271 472 K C -1.124 175.563 176.600 0.145 0.000 0.995 472 K CA -0.519 55.879 56.287 0.186 0.000 0.890 472 K CB 1.758 34.353 32.500 0.158 0.000 1.073 472 K HN 0.641 nan 8.250 nan 0.000 0.454 473 c N 4.750 123.258 118.600 -0.154 0.000 2.801 473 c HA 0.145 4.736 4.570 0.036 0.000 0.296 473 c C -0.313 173.665 174.090 -0.187 0.000 1.054 473 c CA -0.948 55.195 56.329 -0.310 0.000 1.442 473 c CB -0.725 41.214 42.510 -0.952 0.000 1.860 473 c HN 0.875 nan 8.230 nan 0.000 0.459 474 D N 2.072 122.437 120.400 -0.059 0.000 2.352 474 D HA -0.006 4.656 4.640 0.036 0.000 0.238 474 D C 0.545 176.814 176.300 -0.052 0.000 1.286 474 D CA -0.043 53.936 54.000 -0.034 0.000 0.923 474 D CB 0.696 41.498 40.800 0.004 0.000 1.146 474 D HN 0.366 nan 8.370 nan 0.000 0.471 475 D N -1.085 119.302 120.400 -0.021 0.000 2.390 475 D HA -0.068 4.594 4.640 0.036 0.000 0.235 475 D C 1.066 177.342 176.300 -0.041 0.000 1.040 475 D CA 0.631 54.620 54.000 -0.018 0.000 0.923 475 D CB 0.080 40.893 40.800 0.021 0.000 0.886 475 D HN 0.441 nan 8.370 nan 0.000 0.532 476 E N -1.158 119.021 120.200 -0.035 0.000 2.434 476 E HA 0.055 4.427 4.350 0.036 0.000 0.207 476 E C 1.610 178.189 176.600 -0.034 0.000 0.929 476 E CA 0.039 56.422 56.400 -0.027 0.000 1.001 476 E CB -0.166 29.532 29.700 -0.004 0.000 1.016 476 E HN 0.185 nan 8.360 nan 0.000 0.502 477 c N 0.264 118.833 118.600 -0.050 0.000 2.522 477 c HA 0.052 4.643 4.570 0.036 0.000 0.280 477 c C 2.251 176.276 174.090 -0.108 0.000 1.303 477 c CA 0.373 56.652 56.329 -0.083 0.000 1.709 477 c CB -0.731 41.684 42.510 -0.159 0.000 2.071 477 c HN 0.363 nan 8.230 nan 0.000 0.492 478 M N 2.020 121.513 119.600 -0.179 0.000 2.115 478 M HA -0.153 4.349 4.480 0.036 0.000 0.258 478 M C 1.911 178.070 176.300 -0.236 0.000 1.071 478 M CA 2.323 57.477 55.300 -0.243 0.000 1.100 478 M CB -2.393 29.989 32.600 -0.363 0.000 1.292 478 M HN 0.644 nan 8.290 nan 0.000 0.415 479 N N 0.459 119.038 118.700 -0.202 0.000 2.405 479 N HA -0.159 4.602 4.740 0.036 0.000 0.189 479 N C 1.540 176.988 175.510 -0.103 0.000 1.021 479 N CA 1.940 54.898 53.050 -0.153 0.000 0.891 479 N CB -0.089 38.342 38.487 -0.092 0.000 0.955 479 N HN 0.453 nan 8.380 nan 0.000 0.443 480 S N -1.596 114.063 115.700 -0.068 0.000 2.446 480 S HA 0.036 4.528 4.470 0.036 0.000 0.225 480 S C 1.857 176.466 174.600 0.015 0.000 1.016 480 S CA 0.586 58.780 58.200 -0.010 0.000 0.943 480 S CB -0.404 62.806 63.200 0.017 0.000 0.786 480 S HN 0.088 nan 8.310 nan 0.000 0.508 481 V N 2.731 122.634 119.914 -0.018 0.000 2.270 481 V HA -0.132 4.010 4.120 0.036 0.000 0.245 481 V C 2.596 178.584 176.094 -0.178 0.000 1.043 481 V CA 2.116 64.374 62.300 -0.071 0.000 1.014 481 V CB -0.708 31.028 31.823 -0.146 0.000 0.645 481 V HN 0.529 nan 8.190 nan 0.000 0.447 482 K N 0.391 120.577 120.400 -0.356 0.000 2.063 482 K HA -0.218 4.124 4.320 0.036 0.000 0.208 482 K C 2.009 178.570 176.600 -0.065 0.000 1.048 482 K CA 1.599 57.680 56.287 -0.343 0.000 0.928 482 K CB -0.451 31.779 32.500 -0.450 0.000 0.713 482 K HN 0.285 nan 8.250 nan 0.000 0.442 483 N N 0.299 118.964 118.700 -0.058 0.000 2.417 483 N HA -0.138 4.624 4.740 0.036 0.000 0.187 483 N C 1.171 176.694 175.510 0.023 0.000 1.027 483 N CA 1.407 54.455 53.050 -0.003 0.000 0.891 483 N CB -0.101 38.384 38.487 -0.004 0.000 0.956 483 N HN 0.477 nan 8.380 nan 0.000 0.442 484 G N -1.520 107.293 108.800 0.022 0.000 2.205 484 G HA2 -0.264 3.718 3.960 0.036 0.000 0.261 484 G HA3 -0.264 3.718 3.960 0.036 0.000 0.261 484 G C 0.163 175.094 174.900 0.051 0.000 0.980 484 G CA 0.900 46.023 45.100 0.039 0.000 0.632 484 G HN 0.636 nan 8.290 nan 0.000 0.533 485 T N -1.702 112.887 114.554 0.059 0.000 2.977 485 T HA 0.636 5.008 4.350 0.036 0.000 0.346 485 T C -0.095 174.678 174.700 0.123 0.000 1.140 485 T CA -0.624 61.522 62.100 0.078 0.000 1.040 485 T CB 1.754 70.651 68.868 0.049 0.000 1.046 485 T HN 0.501 nan 8.240 nan 0.000 0.494 486 Y N 2.432 122.738 120.300 0.010 0.000 2.780 486 Y HA 0.568 5.139 4.550 0.036 0.000 0.449 486 Y C 0.065 176.009 175.900 0.074 0.000 1.395 486 Y CA -0.314 57.801 58.100 0.025 0.000 1.864 486 Y CB 0.831 39.304 38.460 0.022 0.000 1.728 486 Y HN 0.628 nan 8.280 nan 0.000 0.686 487 D N -0.773 119.351 120.400 -0.459 0.000 3.171 487 D HA -0.026 4.635 4.640 0.036 0.000 0.240 487 D C -0.501 175.699 176.300 -0.166 0.000 1.432 487 D CA -0.236 53.632 54.000 -0.221 0.000 0.892 487 D CB -1.063 39.639 40.800 -0.163 0.000 1.499 487 D HN 0.461 nan 8.370 nan 0.000 0.597 488 Y N 1.718 122.058 120.300 0.067 0.000 2.352 488 Y HA -0.094 4.478 4.550 0.036 0.000 0.292 488 Y C 1.843 177.803 175.900 0.099 0.000 1.136 488 Y CA 2.044 60.269 58.100 0.209 0.000 1.227 488 Y CB 0.237 38.848 38.460 0.252 0.000 0.991 488 Y HN 0.248 nan 8.280 nan 0.000 0.545 489 S N -0.821 114.902 115.700 0.037 0.000 2.851 489 S HA 0.081 4.572 4.470 0.036 0.000 0.227 489 S C 1.180 175.705 174.600 -0.126 0.000 0.958 489 S CA 0.387 58.553 58.200 -0.056 0.000 0.990 489 S CB -0.118 63.102 63.200 0.032 0.000 0.790 489 S HN 0.602 nan 8.310 nan 0.000 0.509 490 K N 0.220 120.520 120.400 -0.167 0.000 2.641 490 K HA 0.256 4.598 4.320 0.036 0.000 0.222 490 K C 0.463 176.874 176.600 -0.315 0.000 1.474 490 K CA -0.218 55.928 56.287 -0.236 0.000 0.873 490 K CB -0.262 32.080 32.500 -0.264 0.000 1.817 490 K HN 0.237 nan 8.250 nan 0.000 0.419 491 Y N 2.550 122.637 120.300 -0.356 0.000 2.751 491 Y HA -0.054 4.518 4.550 0.036 0.000 0.310 491 Y C 1.880 177.533 175.900 -0.412 0.000 1.176 491 Y CA 0.926 58.727 58.100 -0.499 0.000 1.360 491 Y CB -0.107 37.840 38.460 -0.856 0.000 0.999 491 Y HN 0.429 nan 8.280 nan 0.000 0.532 492 E N 1.605 121.641 120.200 -0.274 0.000 2.077 492 E HA -0.193 4.178 4.350 0.036 0.000 0.193 492 E C 0.110 176.618 176.600 -0.153 0.000 0.989 492 E CA 0.784 56.980 56.400 -0.340 0.000 0.800 492 E CB 0.023 29.419 29.700 -0.506 0.000 0.746 492 E HN 0.543 nan 8.360 nan 0.000 0.452 493 E N 1.260 121.373 120.200 -0.146 0.000 1.775 493 E HA 0.045 4.416 4.350 0.036 0.000 0.266 493 E C -0.606 175.963 176.600 -0.052 0.000 1.191 493 E CA 0.164 56.510 56.400 -0.089 0.000 1.048 493 E CB 0.213 29.853 29.700 -0.100 0.000 1.081 493 E HN 0.173 nan 8.360 nan 0.000 0.434 494 E N 1.966 122.166 120.200 0.000 0.000 2.345 494 E HA 0.025 4.397 4.350 0.036 0.000 0.271 494 E C -1.071 175.572 176.600 0.071 0.000 1.095 494 E CA -0.103 56.326 56.400 0.048 0.000 0.618 494 E CB -0.078 29.681 29.700 0.098 0.000 1.128 494 E HN 0.260 nan 8.360 nan 0.000 0.420 495 S N 1.677 117.382 115.700 0.010 0.000 2.598 495 S HA 0.472 4.964 4.470 0.036 0.000 0.256 495 S C -0.156 174.363 174.600 -0.134 0.000 1.350 495 S CA -0.018 58.147 58.200 -0.059 0.000 0.984 495 S CB 0.721 63.886 63.200 -0.059 0.000 0.930 495 S HN 0.444 nan 8.310 nan 0.000 0.577 496 K N 0.000 120.203 120.400 -0.328 0.000 2.780 496 K HA 0.000 4.342 4.320 0.036 0.000 0.191 496 K CA 0.000 56.075 56.287 -0.354 0.000 0.838 496 K CB 0.000 32.368 32.500 -0.219 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543