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 2x09_1_A DATA FIRST_RESID 49 DATA SEQUENCE GNATPIPGYV IQSSAQVSDD SAVSKPGFPT SGWYPVSSRS TVYAGLLQNG DATA SEQUENCE KYADPFYSTN MQNVPAAQFS VPWWYRTDLN VDDTSSRTYL DFSGVLSKAD DATA SEQUENCE VWVNGTKVAT KDQVNGAYTR HDLDITAQVH TGVNSVAFKV YPNDPNRDLS DATA SEQUENCE MGWIDWAQTP PDQNMGIVRD VLVRRSGAVA LRSAHVIQKL NSALDHADLT DATA SEQUENCE VKADVRNDSA NAVQTTVAGT VAGKPISQTV SLAAKERKTV TFPLVGLDRP DATA SEQUENCE NVWWPAGMGG QHRYDLDLTA SVGGTPSDAA KSKFGVRDVK ATLNSSGGRQ DATA SEQUENCE YSVNGKPLLI RGGGYTPDLF LRWNETAAAD KLKYVLNLGL NTVRLEGHIE DATA SEQUENCE PDEFFDIADD LGVLTMPGWE CCDKWEGQVN GEEKGEPWVE SDYPIAKASM DATA SEQUENCE FSEAERLRDH PSVISFHIGS DFAPDRRIEQ GYLDAMKAAD FLLPVIPAAS DATA SEQUENCE ARPSPITGAS GMKMNGPYDY VPPVYWYDKS QKDRGGAWSF NSETSAGVDI DATA SEQUENCE PTMDTLKRMM SASELDTMWK NPSAKQYHRS SSDTFGNLKL FGDALTKRYG DATA SEQUENCE ASANLNDFVR KAQLSQYENV RAEFESHSRN YTDSTNPSTG LIYWMLNSPW DATA SEQUENCE TSLHWQLFDA YMDQNGAYYG AKKANEPLHI QYSHDNRSVV VINQTSNAVS DATA SEQUENCE GLTATTKLYN LDGTEKYSNT KTGLSVGALG AKATAVTVPA VSGLSTTYLA DATA SEQUENCE KNVLTDSSGK EVSRNVYWLS TKADTLNWGG SDWYYTPQSA FADLSGLNNL DATA SEQUENCE GQSAVGATAN SVAGADGTTT TTVTLKNTSG GRLPAFYVDS KVVDSAGKPV DATA SEQUENCE LPVEWNDNAV SLWPGETTTL TAKYRTADLK GSKPSVRISG WNTGTQTVPA DATA SEQUENCE D 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 49 G HA2 0.000 nan 3.960 nan 0.000 0.244 49 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 49 G C 0.000 174.934 174.900 0.057 0.000 0.946 49 G CA 0.000 45.131 45.100 0.051 0.000 0.502 50 N N 1.347 120.088 118.700 0.068 0.000 2.470 50 N HA 0.528 5.268 4.740 -0.001 0.000 0.268 50 N C -0.497 175.064 175.510 0.084 0.000 1.136 50 N CA 0.605 53.699 53.050 0.074 0.000 0.961 50 N CB 1.249 39.783 38.487 0.078 0.000 1.067 50 N HN 0.268 nan 8.380 nan 0.000 0.468 51 A N 3.008 125.878 122.820 0.083 0.000 2.499 51 A HA 0.389 4.708 4.320 -0.001 0.000 0.280 51 A C -0.840 176.802 177.584 0.096 0.000 1.135 51 A CA -0.646 51.448 52.037 0.095 0.000 0.744 51 A CB 0.776 19.828 19.000 0.086 0.000 1.213 51 A HN 0.503 nan 8.150 nan 0.000 0.434 52 T N 5.278 119.895 114.554 0.104 0.000 2.791 52 T HA 0.598 4.948 4.350 -0.001 0.000 0.288 52 T C -2.798 171.967 174.700 0.109 0.000 0.999 52 T CA -1.223 60.935 62.100 0.096 0.000 0.952 52 T CB 1.477 70.396 68.868 0.084 0.000 0.938 52 T HN 0.505 nan 8.240 nan 0.000 0.444 53 P HA 0.267 nan 4.420 nan 0.000 0.271 53 P C -0.308 177.050 177.300 0.096 0.000 1.218 53 P CA -0.483 62.688 63.100 0.118 0.000 0.780 53 P CB 0.748 32.516 31.700 0.114 0.000 0.901 54 I N 5.329 125.960 120.570 0.101 0.000 2.505 54 I HA 0.027 4.196 4.170 -0.001 0.000 0.287 54 I C -0.807 175.286 176.117 -0.040 0.000 1.104 54 I CA -1.555 59.752 61.300 0.011 0.000 1.387 54 I CB 0.601 38.597 38.000 -0.008 0.000 1.404 54 I HN 0.298 nan 8.210 nan 0.000 0.528 55 P HA -0.037 nan 4.420 nan 0.000 0.215 55 P C 0.564 177.842 177.300 -0.036 0.000 1.153 55 P CA 0.834 63.929 63.100 -0.009 0.000 0.853 55 P CB 0.293 31.994 31.700 0.001 0.000 0.788 56 G N -2.713 105.967 108.800 -0.200 0.000 2.559 56 G HA2 0.545 4.504 3.960 -0.001 0.000 0.291 56 G HA3 0.545 4.504 3.960 -0.001 0.000 0.291 56 G C -2.166 172.496 174.900 -0.397 0.000 1.424 56 G CA -0.616 44.389 45.100 -0.158 0.000 0.786 56 G HN -0.070 nan 8.290 nan 0.000 0.485 57 Y N -1.356 119.066 120.300 0.204 0.000 2.581 57 Y HA 0.620 5.170 4.550 -0.001 0.000 0.345 57 Y C 0.339 176.365 175.900 0.209 0.000 1.036 57 Y CA -1.080 57.162 58.100 0.237 0.000 1.042 57 Y CB 2.451 41.109 38.460 0.330 0.000 1.289 57 Y HN 0.567 nan 8.280 nan 0.000 0.471 58 V N 1.529 121.690 119.914 0.412 0.000 2.472 58 V HA 0.759 4.878 4.120 -0.001 0.000 0.290 58 V C -0.342 176.124 176.094 0.619 0.000 1.037 58 V CA -0.807 61.761 62.300 0.448 0.000 0.908 58 V CB 0.966 33.025 31.823 0.392 0.000 0.985 58 V HN 0.703 nan 8.190 nan 0.000 0.454 59 I N 1.519 122.388 120.570 0.498 0.000 2.740 59 I HA 0.989 5.158 4.170 -0.001 0.000 0.303 59 I C -0.643 175.573 176.117 0.166 0.000 1.044 59 I CA -0.774 60.725 61.300 0.332 0.000 1.064 59 I CB 2.172 40.151 38.000 -0.035 0.000 1.249 59 I HN 0.757 nan 8.210 nan 0.000 0.433 60 Q N 2.750 122.325 119.800 -0.374 0.000 2.522 60 Q HA 0.399 4.739 4.340 -0.001 0.000 0.285 60 Q C -1.157 174.154 176.000 -1.148 0.000 0.982 60 Q CA -0.495 54.730 55.803 -0.964 0.000 0.805 60 Q CB 2.327 29.852 28.738 -2.022 0.000 1.457 60 Q HN 0.892 nan 8.270 nan 0.000 0.394 61 S N 0.191 114.788 115.700 -1.838 0.000 2.568 61 S HA 0.139 4.609 4.470 -0.001 0.000 0.282 61 S C 0.885 175.098 174.600 -0.645 0.000 1.338 61 S CA 0.554 57.719 58.200 -1.725 0.000 1.045 61 S CB 0.248 62.645 63.200 -1.338 0.000 0.873 61 S HN 0.779 nan 8.310 nan 0.000 0.516 62 S N 4.082 119.590 115.700 -0.320 0.000 2.507 62 S HA -0.045 4.425 4.470 -0.001 0.000 0.235 62 S C 1.945 176.509 174.600 -0.060 0.000 0.988 62 S CA 0.705 58.923 58.200 0.031 0.000 0.944 62 S CB -0.731 62.491 63.200 0.036 0.000 0.762 62 S HN 0.967 nan 8.310 nan 0.000 0.526 63 A N 1.448 124.162 122.820 -0.178 0.000 2.032 63 A HA -0.138 4.181 4.320 -0.001 0.000 0.221 63 A C 2.160 179.677 177.584 -0.111 0.000 1.165 63 A CA 1.509 53.468 52.037 -0.131 0.000 0.645 63 A CB -0.538 18.369 19.000 -0.155 0.000 0.807 63 A HN 0.722 nan 8.150 nan 0.000 0.453 64 Q N -0.944 118.764 119.800 -0.154 0.000 2.219 64 Q HA 0.248 4.587 4.340 -0.001 0.000 0.209 64 Q C -0.974 175.017 176.000 -0.014 0.000 0.854 64 Q CA -0.079 55.661 55.803 -0.105 0.000 0.960 64 Q CB 0.944 29.574 28.738 -0.180 0.000 1.116 64 Q HN 0.373 nan 8.270 nan 0.000 0.500 65 V N 1.321 121.235 119.914 0.001 0.000 2.409 65 V HA 0.115 4.234 4.120 -0.001 0.000 0.290 65 V C 0.641 176.748 176.094 0.021 0.000 1.017 65 V CA -0.183 62.128 62.300 0.018 0.000 0.841 65 V CB 1.585 33.341 31.823 -0.111 0.000 1.003 65 V HN 0.199 nan 8.190 nan 0.000 0.426 66 S N 1.535 117.240 115.700 0.008 0.000 2.497 66 S HA 0.118 4.587 4.470 -0.001 0.000 0.221 66 S C 0.466 175.063 174.600 -0.006 0.000 1.037 66 S CA 0.149 58.356 58.200 0.011 0.000 0.920 66 S CB 0.242 63.448 63.200 0.011 0.000 0.800 66 S HN 0.671 nan 8.310 nan 0.000 0.505 67 D N 1.479 121.848 120.400 -0.051 0.000 2.460 67 D HA 0.352 4.991 4.640 -0.001 0.000 0.232 67 D C -0.073 176.072 176.300 -0.259 0.000 1.079 67 D CA -0.425 53.514 54.000 -0.101 0.000 0.864 67 D CB 1.204 41.951 40.800 -0.089 0.000 1.048 67 D HN -0.154 nan 8.370 nan 0.000 0.523 68 D N 1.206 121.473 120.400 -0.222 0.000 2.116 68 D HA -0.204 4.435 4.640 -0.001 0.000 0.193 68 D C 1.943 177.638 176.300 -1.009 0.000 0.998 68 D CA 1.592 55.334 54.000 -0.430 0.000 0.836 68 D CB -0.161 40.585 40.800 -0.090 0.000 0.951 68 D HN 0.527 nan 8.370 nan 0.000 0.449 69 S N 0.085 115.296 115.700 -0.816 0.000 2.465 69 S HA -0.064 4.405 4.470 -0.001 0.000 0.241 69 S C 1.954 176.240 174.600 -0.523 0.000 1.000 69 S CA 1.063 58.836 58.200 -0.711 0.000 0.964 69 S CB -0.181 62.932 63.200 -0.144 0.000 0.763 69 S HN 0.259 nan 8.310 nan 0.000 0.512 70 A N 1.162 123.642 122.820 -0.566 0.000 2.072 70 A HA 0.282 4.601 4.320 -0.001 0.000 0.216 70 A C 2.246 179.213 177.584 -1.028 0.000 1.156 70 A CA 0.863 52.586 52.037 -0.523 0.000 0.701 70 A CB -0.700 18.126 19.000 -0.290 0.000 0.816 70 A HN 0.437 nan 8.150 nan 0.000 0.458 71 V N 1.097 120.126 119.914 -1.474 0.000 2.287 71 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 71 V C 2.664 178.241 176.094 -0.862 0.000 1.053 71 V CA 2.371 63.596 62.300 -1.791 0.000 1.027 71 V CB -1.016 29.776 31.823 -1.718 0.000 0.646 71 V HN 0.758 nan 8.190 nan 0.000 0.447 72 S N -1.238 114.151 115.700 -0.519 0.000 2.631 72 S HA 0.125 4.594 4.470 -0.001 0.000 0.217 72 S C 0.565 175.114 174.600 -0.084 0.000 0.958 72 S CA -0.217 57.880 58.200 -0.172 0.000 0.920 72 S CB -0.439 62.782 63.200 0.034 0.000 0.776 72 S HN 0.601 nan 8.310 nan 0.000 0.517 73 K N 2.609 122.933 120.400 -0.128 0.000 2.276 73 K HA 0.333 4.653 4.320 -0.001 0.000 0.283 73 K C -2.883 173.728 176.600 0.018 0.000 1.044 73 K CA -2.141 54.133 56.287 -0.022 0.000 0.944 73 K CB 0.300 32.783 32.500 -0.028 0.000 1.012 73 K HN 0.078 nan 8.250 nan 0.000 0.472 74 P HA -0.082 nan 4.420 nan 0.000 0.261 74 P C 0.576 177.895 177.300 0.032 0.000 1.183 74 P CA 0.945 64.079 63.100 0.056 0.000 0.761 74 P CB 0.517 32.277 31.700 0.099 0.000 0.785 75 G N 2.789 111.599 108.800 0.016 0.000 2.195 75 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.224 75 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.224 75 G C 0.057 174.939 174.900 -0.029 0.000 0.990 75 G CA -0.567 44.525 45.100 -0.014 0.000 0.639 75 G HN 0.543 nan 8.290 nan 0.000 0.514 76 F N 4.730 124.579 119.950 -0.169 0.000 2.602 76 F HA 0.479 5.005 4.527 -0.001 0.000 0.385 76 F C -1.059 174.576 175.800 -0.276 0.000 1.063 76 F CA -1.589 56.274 58.000 -0.229 0.000 1.233 76 F CB 0.452 39.275 39.000 -0.295 0.000 1.067 76 F HN 0.069 nan 8.300 nan 0.000 0.564 77 P HA 0.141 nan 4.420 nan 0.000 0.276 77 P C -0.523 176.204 177.300 -0.955 0.000 1.230 77 P CA -0.261 62.411 63.100 -0.713 0.000 0.776 77 P CB 0.898 32.287 31.700 -0.518 0.000 0.888 78 T N -2.491 111.679 114.554 -0.640 0.000 3.331 78 T HA 0.134 4.484 4.350 -0.001 0.000 0.282 78 T C 0.490 175.075 174.700 -0.191 0.000 1.010 78 T CA -0.504 61.163 62.100 -0.721 0.000 0.928 78 T CB -0.613 67.808 68.868 -0.744 0.000 1.154 78 T HN 0.352 nan 8.240 nan 0.000 0.516 79 S N 1.351 116.967 115.700 -0.140 0.000 2.546 79 S HA 0.405 4.875 4.470 -0.001 0.000 0.290 79 S C 1.771 176.398 174.600 0.044 0.000 1.262 79 S CA 1.077 59.246 58.200 -0.051 0.000 1.083 79 S CB -0.731 62.419 63.200 -0.083 0.000 0.859 79 S HN 1.394 nan 8.310 nan 0.000 0.495 80 G N 4.240 113.032 108.800 -0.013 0.000 2.176 80 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.253 80 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.253 80 G C -0.071 174.700 174.900 -0.215 0.000 0.979 80 G CA 0.089 45.115 45.100 -0.122 0.000 0.641 80 G HN 0.653 nan 8.290 nan 0.000 0.530 81 W N 0.389 121.528 121.300 -0.269 0.000 2.170 81 W HA 0.643 5.303 4.660 -0.001 0.000 0.336 81 W C 0.468 176.846 176.519 -0.235 0.000 1.283 81 W CA -0.431 56.801 57.345 -0.189 0.000 1.224 81 W CB 0.101 29.545 29.460 -0.025 0.000 1.132 81 W HN 0.128 nan 8.180 nan 0.000 0.571 82 Y N 3.819 124.278 120.300 0.266 0.000 2.350 82 Y HA 0.259 4.808 4.550 -0.001 0.000 0.340 82 Y C -1.594 174.424 175.900 0.197 0.000 1.006 82 Y CA -2.790 55.426 58.100 0.194 0.000 1.166 82 Y CB 0.196 38.761 38.460 0.175 0.000 1.168 82 Y HN 0.025 nan 8.280 nan 0.000 0.502 83 P HA 0.137 nan 4.420 nan 0.000 0.282 83 P C -0.829 176.596 177.300 0.209 0.000 1.262 83 P CA -0.083 63.149 63.100 0.221 0.000 0.773 83 P CB 1.271 33.062 31.700 0.152 0.000 0.879 84 V N 0.908 120.954 119.914 0.221 0.000 2.914 84 V HA 0.747 4.866 4.120 -0.001 0.000 0.314 84 V C 0.153 176.389 176.094 0.237 0.000 1.084 84 V CA -1.004 61.421 62.300 0.209 0.000 0.963 84 V CB 1.638 33.580 31.823 0.198 0.000 1.025 84 V HN 0.602 nan 8.190 nan 0.000 0.432 85 S N 2.327 118.152 115.700 0.209 0.000 2.645 85 S HA 0.461 4.930 4.470 -0.001 0.000 0.266 85 S C 0.500 175.280 174.600 0.300 0.000 1.258 85 S CA 0.067 58.392 58.200 0.208 0.000 0.990 85 S CB 1.144 64.445 63.200 0.168 0.000 0.967 85 S HN 1.463 nan 8.310 nan 0.000 0.556 86 S N 0.750 116.616 115.700 0.277 0.000 2.554 86 S HA 0.082 4.551 4.470 -0.001 0.000 0.290 86 S C 0.626 175.399 174.600 0.289 0.000 1.309 86 S CA 0.219 58.617 58.200 0.329 0.000 1.047 86 S CB -0.572 62.770 63.200 0.237 0.000 0.828 86 S HN 0.821 nan 8.310 nan 0.000 0.509 87 R N 0.301 120.952 120.500 0.253 0.000 3.776 87 R HA -0.121 4.219 4.340 -0.001 0.000 0.312 87 R C -0.598 175.826 176.300 0.207 0.000 1.181 87 R CA 0.681 56.893 56.100 0.186 0.000 0.836 87 R CB -2.773 27.643 30.300 0.192 0.000 1.324 87 R HN 0.407 nan 8.270 nan 0.000 0.501 88 S N 1.230 117.076 115.700 0.243 0.000 2.457 88 S HA 0.290 4.759 4.470 -0.001 0.000 0.289 88 S C 0.857 175.596 174.600 0.232 0.000 1.163 88 S CA -0.296 58.047 58.200 0.238 0.000 1.078 88 S CB 1.693 65.046 63.200 0.254 0.000 0.987 88 S HN 0.310 nan 8.310 nan 0.000 0.482 89 T N 0.360 115.015 114.554 0.167 0.000 2.766 89 T HA 0.239 4.588 4.350 -0.001 0.000 0.295 89 T C 1.531 176.286 174.700 0.091 0.000 1.024 89 T CA -0.770 61.406 62.100 0.125 0.000 1.018 89 T CB 0.301 69.232 68.868 0.106 0.000 1.002 89 T HN 0.191 nan 8.240 nan 0.000 0.532 90 V N 0.600 120.495 119.914 -0.032 0.000 2.261 90 V HA -0.122 3.998 4.120 -0.001 0.000 0.246 90 V C 2.182 178.129 176.094 -0.244 0.000 1.047 90 V CA 1.832 63.984 62.300 -0.247 0.000 1.015 90 V CB -1.260 30.176 31.823 -0.645 0.000 0.642 90 V HN 0.894 nan 8.190 nan 0.000 0.446 91 Y N 1.438 121.483 120.300 -0.424 0.000 2.165 91 Y HA -0.265 4.284 4.550 -0.001 0.000 0.286 91 Y C 2.380 178.141 175.900 -0.233 0.000 1.155 91 Y CA 1.309 59.194 58.100 -0.359 0.000 1.164 91 Y CB -0.847 37.333 38.460 -0.466 0.000 0.978 91 Y HN 0.164 nan 8.280 nan 0.000 0.513 92 A N -0.018 122.689 122.820 -0.188 0.000 1.892 92 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 92 A C 2.583 180.078 177.584 -0.150 0.000 1.188 92 A CA 2.021 53.947 52.037 -0.184 0.000 0.631 92 A CB -1.703 17.315 19.000 0.030 0.000 0.822 92 A HN 0.575 nan 8.150 nan 0.000 0.447 93 G N -0.291 108.465 108.800 -0.074 0.000 2.418 93 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.217 93 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.217 93 G C 1.539 176.383 174.900 -0.094 0.000 1.158 93 G CA 1.112 46.190 45.100 -0.036 0.000 0.771 93 G HN 0.463 nan 8.290 nan 0.000 0.545 94 L N -0.136 120.982 121.223 -0.175 0.000 2.109 94 L HA 0.094 4.433 4.340 -0.001 0.000 0.207 94 L C 2.837 179.606 176.870 -0.167 0.000 1.086 94 L CA 0.258 54.973 54.840 -0.208 0.000 0.760 94 L CB -0.419 41.591 42.059 -0.082 0.000 0.910 94 L HN 0.142 nan 8.230 nan 0.000 0.437 95 L N -0.344 120.710 121.223 -0.281 0.000 2.079 95 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 95 L C 2.727 179.497 176.870 -0.166 0.000 1.081 95 L CA 1.357 56.015 54.840 -0.303 0.000 0.752 95 L CB -0.468 41.254 42.059 -0.561 0.000 0.896 95 L HN 0.393 nan 8.230 nan 0.000 0.433 96 Q N 0.064 119.790 119.800 -0.124 0.000 2.170 96 Q HA -0.175 4.164 4.340 -0.001 0.000 0.203 96 Q C 1.412 177.408 176.000 -0.006 0.000 0.976 96 Q CA 1.163 56.939 55.803 -0.045 0.000 0.858 96 Q CB 0.156 28.893 28.738 -0.002 0.000 0.907 96 Q HN 0.499 nan 8.270 nan 0.000 0.433 97 N N -0.736 117.966 118.700 0.004 0.000 2.314 97 N HA 0.041 4.781 4.740 -0.001 0.000 0.200 97 N C 0.247 175.768 175.510 0.019 0.000 1.135 97 N CA 0.781 53.867 53.050 0.060 0.000 0.835 97 N CB 0.887 39.487 38.487 0.189 0.000 0.989 97 N HN 0.388 nan 8.380 nan 0.000 0.478 98 G N 2.016 110.798 108.800 -0.030 0.000 2.225 98 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.267 98 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.267 98 G C 0.961 175.812 174.900 -0.081 0.000 1.024 98 G CA 0.976 46.050 45.100 -0.043 0.000 0.784 98 G HN 0.396 nan 8.290 nan 0.000 0.507 99 K N -1.411 118.900 120.400 -0.148 0.000 2.103 99 K HA 0.130 4.450 4.320 -0.001 0.000 0.204 99 K C 0.432 176.676 176.600 -0.594 0.000 1.052 99 K CA 0.809 56.881 56.287 -0.359 0.000 0.945 99 K CB 0.026 32.245 32.500 -0.469 0.000 0.722 99 K HN 0.478 nan 8.250 nan 0.000 0.443 100 Y N -0.505 119.804 120.300 0.014 0.000 2.562 100 Y HA 0.500 5.050 4.550 -0.001 0.000 0.343 100 Y C 0.129 176.051 175.900 0.036 0.000 1.025 100 Y CA -1.318 56.821 58.100 0.063 0.000 1.082 100 Y CB 1.443 40.002 38.460 0.166 0.000 1.264 100 Y HN -0.054 nan 8.280 nan 0.000 0.478 101 A N 0.457 123.426 122.820 0.247 0.000 2.327 101 A HA 0.176 4.495 4.320 -0.001 0.000 0.255 101 A C -0.337 177.353 177.584 0.177 0.000 1.099 101 A CA -0.303 51.836 52.037 0.171 0.000 0.801 101 A CB -0.085 19.023 19.000 0.181 0.000 1.062 101 A HN 0.744 nan 8.150 nan 0.000 0.496 102 D N 0.483 120.975 120.400 0.154 0.000 2.412 102 D HA 0.133 4.772 4.640 -0.001 0.000 0.257 102 D C -1.411 175.075 176.300 0.310 0.000 1.217 102 D CA -1.515 52.579 54.000 0.157 0.000 0.897 102 D CB 0.787 41.672 40.800 0.142 0.000 1.132 102 D HN 0.158 nan 8.370 nan 0.000 0.493 103 P HA -0.070 nan 4.420 nan 0.000 0.237 103 P C 1.083 178.872 177.300 0.816 0.000 1.178 103 P CA 0.234 63.680 63.100 0.577 0.000 0.766 103 P CB 0.035 32.105 31.700 0.615 0.000 0.876 104 F N -1.173 119.024 119.950 0.411 0.000 2.604 104 F HA 0.047 4.573 4.527 -0.001 0.000 0.298 104 F C 1.147 177.083 175.800 0.227 0.000 1.131 104 F CA -0.252 57.927 58.000 0.298 0.000 1.457 104 F CB -1.088 38.060 39.000 0.247 0.000 1.095 104 F HN -0.079 nan 8.300 nan 0.000 0.574 105 Y N -0.057 120.439 120.300 0.326 0.000 2.331 105 Y HA 0.445 4.994 4.550 -0.001 0.000 0.338 105 Y C 0.951 176.972 175.900 0.201 0.000 0.992 105 Y CA -0.451 57.742 58.100 0.155 0.000 1.121 105 Y CB 0.882 39.422 38.460 0.133 0.000 1.184 105 Y HN 0.032 nan 8.280 nan 0.000 0.469 106 S N 2.667 117.969 115.700 -0.663 0.000 3.711 106 S HA -0.341 4.129 4.470 -0.001 0.000 0.625 106 S C 1.080 175.753 174.600 0.121 0.000 2.458 106 S CA 2.451 60.379 58.200 -0.455 0.000 4.059 106 S CB -1.616 61.080 63.200 -0.839 0.000 0.257 106 S HN 1.293 nan 8.310 nan 0.000 0.974 107 T N -0.395 114.148 114.554 -0.017 0.000 3.186 107 T HA 0.338 4.688 4.350 -0.001 0.000 0.257 107 T C 1.117 175.839 174.700 0.036 0.000 1.029 107 T CA 0.647 62.702 62.100 -0.076 0.000 0.916 107 T CB -0.347 68.343 68.868 -0.296 0.000 1.041 107 T HN 0.471 nan 8.240 nan 0.000 0.562 108 N N 2.009 120.802 118.700 0.155 0.000 2.111 108 N HA -0.195 4.545 4.740 -0.001 0.000 0.197 108 N C 1.500 177.140 175.510 0.216 0.000 1.011 108 N CA 1.757 54.934 53.050 0.212 0.000 0.880 108 N CB -0.415 38.253 38.487 0.302 0.000 1.031 108 N HN 0.489 nan 8.380 nan 0.000 0.444 109 M N 0.596 120.388 119.600 0.321 0.000 2.159 109 M HA -0.164 4.315 4.480 -0.001 0.000 0.263 109 M C 1.796 178.165 176.300 0.115 0.000 1.063 109 M CA 1.376 56.848 55.300 0.286 0.000 1.110 109 M CB -0.018 32.865 32.600 0.472 0.000 1.374 109 M HN 0.174 nan 8.290 nan 0.000 0.411 110 Q N 0.027 119.851 119.800 0.039 0.000 2.234 110 Q HA -0.160 4.180 4.340 -0.001 0.000 0.206 110 Q C 0.842 176.814 176.000 -0.047 0.000 0.980 110 Q CA 1.073 56.831 55.803 -0.076 0.000 0.869 110 Q CB -0.159 28.422 28.738 -0.261 0.000 0.912 110 Q HN 0.582 nan 8.270 nan 0.000 0.436 111 N N -0.221 118.473 118.700 -0.011 0.000 2.383 111 N HA 0.022 4.762 4.740 -0.001 0.000 0.192 111 N C -0.547 174.953 175.510 -0.017 0.000 1.141 111 N CA 0.217 53.272 53.050 0.009 0.000 0.851 111 N CB 0.582 39.106 38.487 0.061 0.000 0.976 111 N HN -0.031 nan 8.380 nan 0.000 0.465 112 V N 2.904 122.747 119.914 -0.118 0.000 2.432 112 V HA 0.225 4.345 4.120 -0.001 0.000 0.275 112 V C -2.043 173.940 176.094 -0.185 0.000 1.043 112 V CA -1.573 60.532 62.300 -0.325 0.000 0.925 112 V CB 1.138 32.635 31.823 -0.543 0.000 0.985 112 V HN -0.049 nan 8.190 nan 0.000 0.466 113 P HA 0.226 nan 4.420 nan 0.000 0.270 113 P C 0.420 177.639 177.300 -0.135 0.000 1.242 113 P CA -0.048 62.996 63.100 -0.093 0.000 0.768 113 P CB 1.088 32.756 31.700 -0.053 0.000 0.820 114 A N 4.281 127.071 122.820 -0.051 0.000 2.021 114 A HA 0.075 4.394 4.320 -0.001 0.000 0.216 114 A C 2.086 179.658 177.584 -0.021 0.000 1.163 114 A CA 1.271 53.341 52.037 0.054 0.000 0.676 114 A CB -1.100 17.941 19.000 0.068 0.000 0.818 114 A HN 0.484 nan 8.150 nan 0.000 0.453 115 A N 1.002 123.782 122.820 -0.066 0.000 1.927 115 A HA -0.311 4.009 4.320 -0.001 0.000 0.220 115 A C 2.164 179.690 177.584 -0.096 0.000 1.185 115 A CA 1.963 53.969 52.037 -0.052 0.000 0.639 115 A CB -0.834 18.140 19.000 -0.043 0.000 0.820 115 A HN 0.805 nan 8.150 nan 0.000 0.451 116 Q N -1.817 117.830 119.800 -0.254 0.000 2.368 116 Q HA -0.128 4.212 4.340 -0.001 0.000 0.210 116 Q C 0.655 176.552 176.000 -0.171 0.000 0.982 116 Q CA 1.458 57.099 55.803 -0.270 0.000 0.884 116 Q CB -0.463 28.037 28.738 -0.397 0.000 0.933 116 Q HN 0.602 nan 8.270 nan 0.000 0.460 117 F N 0.357 120.394 119.950 0.146 0.000 2.645 117 F HA 0.329 4.856 4.527 -0.001 0.000 0.300 117 F C 1.145 176.998 175.800 0.087 0.000 1.115 117 F CA -0.440 57.618 58.000 0.097 0.000 1.355 117 F CB 0.639 39.612 39.000 -0.046 0.000 1.026 117 F HN -0.034 nan 8.300 nan 0.000 0.536 118 S N -0.242 115.570 115.700 0.187 0.000 2.557 118 S HA 0.222 4.692 4.470 -0.001 0.000 0.223 118 S C 0.450 175.120 174.600 0.116 0.000 0.969 118 S CA -0.140 58.139 58.200 0.131 0.000 0.927 118 S CB -0.086 63.163 63.200 0.081 0.000 0.806 118 S HN 0.089 nan 8.310 nan 0.000 0.489 119 V N -1.581 118.420 119.914 0.146 0.000 3.046 119 V HA 0.708 4.828 4.120 -0.001 0.000 0.316 119 V C -3.181 172.986 176.094 0.122 0.000 1.104 119 V CA -3.169 59.183 62.300 0.087 0.000 1.006 119 V CB 0.907 32.746 31.823 0.026 0.000 1.058 119 V HN -0.226 nan 8.190 nan 0.000 0.440 120 P HA 0.178 nan 4.420 nan 0.000 0.268 120 P C -1.450 175.886 177.300 0.060 0.000 1.208 120 P CA 0.464 63.464 63.100 -0.168 0.000 0.777 120 P CB 0.237 31.573 31.700 -0.606 0.000 0.875 121 W N 1.425 122.648 121.300 -0.129 0.000 2.844 121 W HA 0.431 5.091 4.660 -0.001 0.000 0.340 121 W C -1.055 175.476 176.519 0.020 0.000 1.093 121 W CA 0.270 57.621 57.345 0.011 0.000 1.212 121 W CB 0.962 30.505 29.460 0.138 0.000 1.422 121 W HN 0.381 nan 8.180 nan 0.000 0.515 122 W N 2.155 123.617 121.300 0.270 0.000 2.438 122 W HA 0.490 5.150 4.660 -0.001 0.000 0.324 122 W C -0.898 175.931 176.519 0.515 0.000 1.119 122 W CA -0.618 56.948 57.345 0.369 0.000 1.221 122 W CB 0.715 30.372 29.460 0.328 0.000 1.253 122 W HN 0.101 nan 8.180 nan 0.000 0.555 123 Y N 2.667 123.327 120.300 0.600 0.000 2.331 123 Y HA 0.463 5.012 4.550 -0.001 0.000 0.334 123 Y C 0.202 176.479 175.900 0.628 0.000 0.960 123 Y CA -1.252 57.133 58.100 0.475 0.000 1.130 123 Y CB 1.655 40.109 38.460 -0.010 0.000 1.164 123 Y HN 0.270 nan 8.280 nan 0.000 0.458 124 R N 2.174 123.132 120.500 0.763 0.000 2.628 124 R HA 0.718 5.058 4.340 -0.001 0.000 0.288 124 R C -1.650 174.936 176.300 0.476 0.000 0.980 124 R CA -0.348 56.078 56.100 0.542 0.000 0.891 124 R CB 2.285 32.748 30.300 0.272 0.000 1.188 124 R HN 0.682 nan 8.270 nan 0.000 0.450 125 T N 1.282 116.041 114.554 0.343 0.000 2.868 125 T HA 0.317 4.666 4.350 -0.001 0.000 0.306 125 T C -1.402 173.354 174.700 0.093 0.000 1.224 125 T CA -0.722 61.477 62.100 0.165 0.000 1.012 125 T CB 1.449 70.347 68.868 0.049 0.000 1.221 125 T HN 0.619 nan 8.240 nan 0.000 0.499 126 D N 1.739 122.166 120.400 0.044 0.000 2.354 126 D HA 0.449 5.088 4.640 -0.001 0.000 0.247 126 D C -0.682 175.634 176.300 0.026 0.000 1.138 126 D CA -0.309 53.709 54.000 0.030 0.000 0.958 126 D CB 1.334 42.144 40.800 0.017 0.000 1.144 126 D HN 0.255 nan 8.370 nan 0.000 0.458 127 L N 2.096 123.331 121.223 0.020 0.000 2.555 127 L HA 0.204 4.543 4.340 -0.001 0.000 0.264 127 L C -0.851 176.025 176.870 0.009 0.000 0.972 127 L CA -0.479 54.371 54.840 0.018 0.000 0.876 127 L CB 0.716 42.789 42.059 0.023 0.000 1.216 127 L HN 0.337 nan 8.230 nan 0.000 0.415 128 N N 3.868 122.578 118.700 0.017 0.000 2.497 128 N HA 0.304 5.044 4.740 -0.001 0.000 0.268 128 N C -1.331 174.190 175.510 0.019 0.000 1.171 128 N CA -0.003 53.059 53.050 0.021 0.000 0.948 128 N CB 1.149 39.651 38.487 0.025 0.000 1.069 128 N HN 0.458 nan 8.380 nan 0.000 0.460 129 V N 3.935 123.859 119.914 0.017 0.000 2.409 129 V HA 0.121 4.241 4.120 -0.001 0.000 0.290 129 V C 0.199 176.312 176.094 0.032 0.000 1.017 129 V CA -0.678 61.633 62.300 0.017 0.000 0.841 129 V CB 1.478 33.296 31.823 -0.009 0.000 1.003 129 V HN 0.682 nan 8.190 nan 0.000 0.426 130 D N 2.324 122.744 120.400 0.033 0.000 2.355 130 D HA 0.086 4.726 4.640 -0.001 0.000 0.218 130 D C 0.351 176.673 176.300 0.035 0.000 1.004 130 D CA 0.992 55.012 54.000 0.035 0.000 0.880 130 D CB 0.520 41.340 40.800 0.032 0.000 0.911 130 D HN 0.606 nan 8.370 nan 0.000 0.528 131 D N -1.416 119.005 120.400 0.035 0.000 2.787 131 D HA -0.001 4.639 4.640 -0.001 0.000 0.215 131 D C -0.185 176.134 176.300 0.031 0.000 1.246 131 D CA -0.029 53.992 54.000 0.034 0.000 0.798 131 D CB 1.572 42.392 40.800 0.033 0.000 1.649 131 D HN -0.087 nan 8.370 nan 0.000 0.507 132 T N -0.715 113.857 114.554 0.031 0.000 3.176 132 T HA 0.120 4.469 4.350 -0.001 0.000 0.263 132 T C 1.441 176.155 174.700 0.024 0.000 1.021 132 T CA -0.000 62.114 62.100 0.024 0.000 0.905 132 T CB 0.514 69.398 68.868 0.027 0.000 1.057 132 T HN 0.120 nan 8.240 nan 0.000 0.558 133 S N 1.611 117.328 115.700 0.029 0.000 2.348 133 S HA 0.019 4.488 4.470 -0.001 0.000 0.221 133 S C 1.160 175.781 174.600 0.036 0.000 1.033 133 S CA 0.661 58.879 58.200 0.030 0.000 1.010 133 S CB -0.403 62.817 63.200 0.032 0.000 0.891 133 S HN 0.646 nan 8.310 nan 0.000 0.442 134 S N 1.890 117.615 115.700 0.042 0.000 2.565 134 S HA 0.293 4.763 4.470 -0.001 0.000 0.276 134 S C 0.181 174.808 174.600 0.044 0.000 1.326 134 S CA -0.437 57.797 58.200 0.057 0.000 1.045 134 S CB 0.607 63.849 63.200 0.070 0.000 0.918 134 S HN 0.380 nan 8.310 nan 0.000 0.505 135 R N 1.224 121.757 120.500 0.057 0.000 2.827 135 R HA 0.276 4.616 4.340 -0.001 0.000 0.269 135 R C -0.186 176.094 176.300 -0.034 0.000 1.048 135 R CA 0.130 56.219 56.100 -0.018 0.000 1.173 135 R CB 0.153 30.457 30.300 0.007 0.000 1.070 135 R HN 0.477 nan 8.270 nan 0.000 0.498 136 T N 1.315 115.724 114.554 -0.242 0.000 2.876 136 T HA 0.510 4.860 4.350 -0.001 0.000 0.289 136 T C -1.271 173.217 174.700 -0.353 0.000 1.014 136 T CA -0.641 61.374 62.100 -0.141 0.000 0.986 136 T CB 0.849 69.676 68.868 -0.068 0.000 1.021 136 T HN 0.368 nan 8.240 nan 0.000 0.458 137 Y N 0.771 121.121 120.300 0.083 0.000 2.534 137 Y HA 0.569 5.118 4.550 -0.001 0.000 0.345 137 Y C -0.604 175.388 175.900 0.153 0.000 1.031 137 Y CA -1.299 56.865 58.100 0.108 0.000 1.022 137 Y CB 1.603 40.124 38.460 0.102 0.000 1.292 137 Y HN 0.377 nan 8.280 nan 0.000 0.459 138 L N 3.115 124.556 121.223 0.364 0.000 2.272 138 L HA 0.457 4.796 4.340 -0.001 0.000 0.289 138 L C -1.055 176.115 176.870 0.499 0.000 1.032 138 L CA -0.384 54.714 54.840 0.431 0.000 0.810 138 L CB 1.163 43.494 42.059 0.454 0.000 1.205 138 L HN 0.584 nan 8.230 nan 0.000 0.422 139 D N 4.591 125.265 120.400 0.457 0.000 2.593 139 D HA 0.610 5.249 4.640 -0.001 0.000 0.251 139 D C -1.079 175.449 176.300 0.380 0.000 1.140 139 D CA -0.119 54.066 54.000 0.309 0.000 0.855 139 D CB 1.235 42.141 40.800 0.178 0.000 1.267 139 D HN 0.249 nan 8.370 nan 0.000 0.532 140 F N 0.731 120.786 119.950 0.174 0.000 2.773 140 F HA 0.747 5.274 4.527 -0.001 0.000 0.314 140 F C -1.117 174.761 175.800 0.130 0.000 1.160 140 F CA -0.868 57.215 58.000 0.139 0.000 0.920 140 F CB 0.757 39.843 39.000 0.144 0.000 1.323 140 F HN 0.236 nan 8.300 nan 0.000 0.457 141 S N -1.139 114.711 115.700 0.250 0.000 2.757 141 S HA 0.725 5.194 4.470 -0.001 0.000 0.285 141 S C 0.194 174.882 174.600 0.147 0.000 1.196 141 S CA -0.471 57.817 58.200 0.147 0.000 0.856 141 S CB 0.841 64.069 63.200 0.046 0.000 1.212 141 S HN 2.658 nan 8.310 nan 0.000 0.516 142 G N -0.535 108.285 108.800 0.034 0.000 2.147 142 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.244 142 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.244 142 G C -0.115 174.736 174.900 -0.082 0.000 1.005 142 G CA -0.048 45.017 45.100 -0.058 0.000 0.713 142 G HN 1.327 nan 8.290 nan 0.000 0.515 143 V N 2.075 121.972 119.914 -0.028 0.000 2.427 143 V HA 0.509 4.628 4.120 -0.001 0.000 0.268 143 V C 0.796 176.841 176.094 -0.083 0.000 1.046 143 V CA -0.129 62.125 62.300 -0.077 0.000 0.970 143 V CB 1.092 32.932 31.823 0.028 0.000 1.001 143 V HN 0.368 nan 8.190 nan 0.000 0.476 144 L N 4.645 125.802 121.223 -0.110 0.000 2.325 144 L HA 0.496 4.836 4.340 -0.001 0.000 0.281 144 L C 0.890 177.731 176.870 -0.048 0.000 1.004 144 L CA -0.324 54.466 54.840 -0.084 0.000 0.823 144 L CB 1.637 43.643 42.059 -0.089 0.000 1.236 144 L HN 0.679 nan 8.230 nan 0.000 0.415 145 S N 1.580 117.273 115.700 -0.013 0.000 2.503 145 S HA 0.170 4.639 4.470 -0.001 0.000 0.215 145 S C 0.292 174.863 174.600 -0.048 0.000 1.003 145 S CA -0.125 58.049 58.200 -0.044 0.000 0.910 145 S CB 0.158 63.328 63.200 -0.050 0.000 0.790 145 S HN 0.812 nan 8.310 nan 0.000 0.514 146 K N -0.762 119.633 120.400 -0.010 0.000 2.818 146 K HA 0.677 4.997 4.320 -0.001 0.000 0.287 146 K C -1.778 174.863 176.600 0.068 0.000 1.061 146 K CA -0.840 55.428 56.287 -0.032 0.000 0.858 146 K CB 0.663 33.072 32.500 -0.152 0.000 1.456 146 K HN 0.254 nan 8.250 nan 0.000 0.364 147 A N 1.191 124.053 122.820 0.071 0.000 2.594 147 A HA 0.580 4.899 4.320 -0.001 0.000 0.295 147 A C -1.792 175.879 177.584 0.145 0.000 1.071 147 A CA -0.852 51.305 52.037 0.199 0.000 0.685 147 A CB 1.496 20.621 19.000 0.209 0.000 1.285 147 A HN 0.667 nan 8.150 nan 0.000 0.405 148 D N 0.756 121.287 120.400 0.218 0.000 2.255 148 D HA 0.493 5.133 4.640 -0.001 0.000 0.249 148 D C -0.526 175.839 176.300 0.108 0.000 1.078 148 D CA 0.196 54.267 54.000 0.119 0.000 0.896 148 D CB 1.808 42.756 40.800 0.248 0.000 1.194 148 D HN 0.233 nan 8.370 nan 0.000 0.429 149 V N 2.016 121.880 119.914 -0.083 0.000 2.487 149 V HA 0.421 4.541 4.120 -0.001 0.000 0.298 149 V C -0.878 175.081 176.094 -0.225 0.000 1.028 149 V CA -0.903 61.302 62.300 -0.157 0.000 0.860 149 V CB 1.275 32.993 31.823 -0.174 0.000 0.991 149 V HN 0.447 nan 8.190 nan 0.000 0.427 150 W N 2.858 124.090 121.300 -0.115 0.000 2.702 150 W HA 0.779 5.438 4.660 -0.001 0.000 0.331 150 W C -0.820 175.652 176.519 -0.078 0.000 1.049 150 W CA -0.748 56.578 57.345 -0.031 0.000 1.230 150 W CB 2.164 31.670 29.460 0.076 0.000 1.408 150 W HN 0.320 nan 8.180 nan 0.000 0.492 151 V N 4.268 124.274 119.914 0.154 0.000 2.483 151 V HA 0.244 4.364 4.120 -0.001 0.000 0.297 151 V C -0.060 176.092 176.094 0.096 0.000 1.027 151 V CA -1.250 61.095 62.300 0.075 0.000 0.855 151 V CB 1.492 33.319 31.823 0.006 0.000 0.995 151 V HN 0.721 nan 8.190 nan 0.000 0.424 152 N N 3.954 122.702 118.700 0.079 0.000 2.708 152 N HA -0.235 4.504 4.740 -0.001 0.000 0.249 152 N C 1.169 176.751 175.510 0.120 0.000 1.097 152 N CA 1.741 54.850 53.050 0.098 0.000 0.710 152 N CB -0.999 37.558 38.487 0.117 0.000 1.032 152 N HN 1.554 nan 8.380 nan 0.000 0.551 153 G N -2.969 105.923 108.800 0.153 0.000 2.213 153 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.236 153 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.236 153 G C 0.139 175.247 174.900 0.347 0.000 0.991 153 G CA 0.433 45.649 45.100 0.193 0.000 0.629 153 G HN 0.483 nan 8.290 nan 0.000 0.517 154 T N 1.545 116.260 114.554 0.267 0.000 2.795 154 T HA 0.498 4.848 4.350 -0.001 0.000 0.282 154 T C 0.108 174.791 174.700 -0.030 0.000 0.980 154 T CA -0.327 61.853 62.100 0.134 0.000 1.012 154 T CB 1.858 70.751 68.868 0.043 0.000 0.936 154 T HN 0.299 nan 8.240 nan 0.000 0.457 155 K N 3.534 123.660 120.400 -0.456 0.000 2.262 155 K HA 0.186 4.505 4.320 -0.001 0.000 0.288 155 K C 1.232 177.534 176.600 -0.497 0.000 1.090 155 K CA -0.269 55.391 56.287 -1.046 0.000 0.918 155 K CB 0.260 31.859 32.500 -1.501 0.000 1.139 155 K HN 0.535 nan 8.250 nan 0.000 0.462 156 V N 1.184 120.887 119.914 -0.351 0.000 3.406 156 V HA 0.328 4.447 4.120 -0.001 0.000 0.263 156 V C 0.292 176.293 176.094 -0.155 0.000 1.172 156 V CA 0.695 62.885 62.300 -0.184 0.000 1.140 156 V CB -0.333 31.433 31.823 -0.096 0.000 0.784 156 V HN 0.627 nan 8.190 nan 0.000 0.467 157 A N 0.089 122.782 122.820 -0.212 0.000 2.583 157 A HA 0.644 4.964 4.320 -0.001 0.000 0.298 157 A C -0.245 177.233 177.584 -0.177 0.000 1.055 157 A CA 0.110 52.060 52.037 -0.146 0.000 0.714 157 A CB 0.823 19.784 19.000 -0.065 0.000 1.277 157 A HN 0.763 nan 8.150 nan 0.000 0.406 158 T N -1.170 113.301 114.554 -0.138 0.000 2.936 158 T HA 0.530 4.879 4.350 -0.001 0.000 0.282 158 T C 0.838 175.471 174.700 -0.113 0.000 1.003 158 T CA 0.014 62.042 62.100 -0.119 0.000 1.005 158 T CB 1.243 70.046 68.868 -0.109 0.000 1.097 158 T HN 0.927 nan 8.240 nan 0.000 0.532 159 K N 0.319 120.635 120.400 -0.141 0.000 2.515 159 K HA -0.000 4.319 4.320 -0.001 0.000 0.196 159 K C 1.029 177.505 176.600 -0.207 0.000 1.038 159 K CA 1.142 57.296 56.287 -0.221 0.000 0.967 159 K CB -0.224 31.968 32.500 -0.514 0.000 0.780 159 K HN 0.515 nan 8.250 nan 0.000 0.483 160 D N 0.886 121.189 120.400 -0.161 0.000 2.194 160 D HA -0.132 4.508 4.640 -0.001 0.000 0.204 160 D C 1.849 178.092 176.300 -0.096 0.000 0.964 160 D CA 1.004 54.927 54.000 -0.129 0.000 0.846 160 D CB 0.120 40.858 40.800 -0.105 0.000 0.962 160 D HN 0.548 nan 8.370 nan 0.000 0.490 161 Q N 0.523 120.271 119.800 -0.088 0.000 2.061 161 Q HA -0.019 4.320 4.340 -0.001 0.000 0.195 161 Q C 0.366 176.321 176.000 -0.075 0.000 0.967 161 Q CA 0.570 56.339 55.803 -0.056 0.000 0.829 161 Q CB 0.543 29.247 28.738 -0.056 0.000 0.900 161 Q HN -0.071 nan 8.270 nan 0.000 0.450 162 V N 3.142 122.943 119.914 -0.188 0.000 2.276 162 V HA 0.229 4.348 4.120 -0.001 0.000 0.249 162 V C -0.438 175.595 176.094 -0.101 0.000 1.160 162 V CA -0.314 61.786 62.300 -0.333 0.000 1.042 162 V CB -0.040 31.635 31.823 -0.247 0.000 1.224 162 V HN 0.286 nan 8.190 nan 0.000 0.496 163 N N 3.225 121.923 118.700 -0.003 0.000 2.369 163 N HA 0.588 5.328 4.740 -0.001 0.000 0.287 163 N C -0.488 175.017 175.510 -0.009 0.000 1.067 163 N CA 0.564 53.588 53.050 -0.043 0.000 0.888 163 N CB 2.346 40.768 38.487 -0.107 0.000 1.616 163 N HN 0.785 nan 8.380 nan 0.000 0.482 164 G N 1.546 110.317 108.800 -0.049 0.000 3.355 164 G HA2 0.163 4.123 3.960 -0.001 0.000 0.686 164 G HA3 0.163 4.123 3.960 -0.001 0.000 0.686 164 G C 0.765 175.669 174.900 0.007 0.000 1.097 164 G CA 0.013 45.087 45.100 -0.043 0.000 0.881 164 G HN 0.874 nan 8.290 nan 0.000 0.550 165 A N 2.085 124.866 122.820 -0.066 0.000 1.917 165 A HA -0.037 4.282 4.320 -0.001 0.000 0.219 165 A C 1.831 179.257 177.584 -0.264 0.000 1.182 165 A CA 2.593 54.492 52.037 -0.231 0.000 0.633 165 A CB -0.383 18.346 19.000 -0.451 0.000 0.819 165 A HN 1.231 nan 8.150 nan 0.000 0.448 166 Y N 0.607 120.987 120.300 0.132 0.000 2.482 166 Y HA 0.093 4.642 4.550 -0.001 0.000 0.270 166 Y C 1.351 177.293 175.900 0.071 0.000 1.152 166 Y CA 0.482 58.666 58.100 0.139 0.000 1.292 166 Y CB -0.160 38.454 38.460 0.257 0.000 1.070 166 Y HN 0.299 nan 8.280 nan 0.000 0.528 167 T N -0.208 114.427 114.554 0.135 0.000 2.814 167 T HA 0.197 4.547 4.350 -0.001 0.000 0.297 167 T C -0.042 174.482 174.700 -0.294 0.000 0.956 167 T CA -0.868 61.200 62.100 -0.052 0.000 1.123 167 T CB 1.368 70.195 68.868 -0.068 0.000 0.902 167 T HN 0.209 nan 8.240 nan 0.000 0.528 168 R N 2.425 122.710 120.500 -0.358 0.000 2.459 168 R HA 0.302 4.642 4.340 -0.001 0.000 0.281 168 R C -0.491 175.304 176.300 -0.840 0.000 1.050 168 R CA -0.596 55.255 56.100 -0.416 0.000 1.055 168 R CB 0.476 30.677 30.300 -0.165 0.000 1.045 168 R HN 0.803 nan 8.270 nan 0.000 0.495 169 H N 1.434 120.236 119.070 -0.446 0.000 2.768 169 H HA 0.207 4.763 4.556 -0.001 0.000 0.371 169 H C -1.243 173.920 175.328 -0.274 0.000 1.151 169 H CA -0.805 54.994 56.048 -0.415 0.000 1.165 169 H CB 2.289 31.678 29.762 -0.623 0.000 1.722 169 H HN 0.561 nan 8.280 nan 0.000 0.543 170 D N 2.892 123.314 120.400 0.037 0.000 2.378 170 D HA 0.219 4.859 4.640 -0.001 0.000 0.265 170 D C -0.923 175.503 176.300 0.210 0.000 1.229 170 D CA -0.363 53.704 54.000 0.113 0.000 0.914 170 D CB 0.119 40.948 40.800 0.049 0.000 1.140 170 D HN 0.342 nan 8.370 nan 0.000 0.516 171 L N 2.159 123.547 121.223 0.275 0.000 2.257 171 L HA 0.349 4.689 4.340 -0.001 0.000 0.290 171 L C 0.420 177.429 176.870 0.231 0.000 1.044 171 L CA -0.870 54.112 54.840 0.235 0.000 0.810 171 L CB 1.228 43.427 42.059 0.233 0.000 1.193 171 L HN 0.216 nan 8.230 nan 0.000 0.425 172 D N 4.704 125.202 120.400 0.165 0.000 2.358 172 D HA 0.119 4.758 4.640 -0.001 0.000 0.258 172 D C 0.620 176.841 176.300 -0.131 0.000 1.223 172 D CA -0.005 53.925 54.000 -0.117 0.000 0.886 172 D CB 1.096 41.857 40.800 -0.065 0.000 1.120 172 D HN 0.553 nan 8.370 nan 0.000 0.482 173 I N 0.468 120.919 120.570 -0.198 0.000 4.009 173 I HA 0.126 4.296 4.170 -0.001 0.000 0.331 173 I C 1.220 177.258 176.117 -0.132 0.000 1.462 173 I CA -0.525 60.708 61.300 -0.110 0.000 1.117 173 I CB 0.320 38.291 38.000 -0.048 0.000 1.091 173 I HN 0.024 nan 8.210 nan 0.000 0.410 174 T N 1.739 116.172 114.554 -0.202 0.000 2.721 174 T HA -0.238 4.112 4.350 -0.001 0.000 0.268 174 T C 2.134 176.789 174.700 -0.076 0.000 1.038 174 T CA 2.144 64.156 62.100 -0.148 0.000 1.145 174 T CB -0.193 68.576 68.868 -0.165 0.000 0.858 174 T HN 0.641 nan 8.240 nan 0.000 0.459 175 A N 1.083 123.866 122.820 -0.063 0.000 1.933 175 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 175 A C 2.268 179.846 177.584 -0.010 0.000 1.175 175 A CA 1.449 53.469 52.037 -0.029 0.000 0.628 175 A CB -0.512 18.474 19.000 -0.025 0.000 0.814 175 A HN 0.425 nan 8.150 nan 0.000 0.444 176 Q N -0.857 118.932 119.800 -0.018 0.000 2.389 176 Q HA 0.196 4.536 4.340 -0.001 0.000 0.204 176 Q C 0.229 176.225 176.000 -0.007 0.000 0.944 176 Q CA 0.270 56.076 55.803 0.003 0.000 0.908 176 Q CB 0.030 28.765 28.738 -0.004 0.000 1.002 176 Q HN 0.378 nan 8.270 nan 0.000 0.493 177 V N 2.688 122.574 119.914 -0.048 0.000 2.546 177 V HA 0.183 4.303 4.120 -0.001 0.000 0.284 177 V C -0.022 176.032 176.094 -0.065 0.000 1.050 177 V CA -0.508 61.717 62.300 -0.124 0.000 0.981 177 V CB 0.763 32.524 31.823 -0.104 0.000 0.990 177 V HN 0.402 nan 8.190 nan 0.000 0.474 178 H N 1.470 120.544 119.070 0.007 0.000 2.894 178 H HA 0.690 5.246 4.556 -0.001 0.000 0.368 178 H C -0.057 175.278 175.328 0.011 0.000 1.181 178 H CA -0.565 55.488 56.048 0.008 0.000 1.146 178 H CB 1.746 31.512 29.762 0.008 0.000 1.839 178 H HN 0.650 nan 8.280 nan 0.000 0.557 179 T N 0.185 114.855 114.554 0.194 0.000 2.926 179 T HA 0.452 4.802 4.350 -0.001 0.000 0.307 179 T C 1.142 175.952 174.700 0.183 0.000 1.059 179 T CA 1.210 63.388 62.100 0.129 0.000 1.122 179 T CB -0.323 nan 68.868 nan 0.000 0.972 179 T HN 1.165 nan 8.240 nan 0.000 0.545 180 G N 0.494 109.362 108.800 0.113 0.000 2.484 180 G HA2 0.010 3.969 3.960 -0.001 0.000 0.225 180 G HA3 0.010 3.969 3.960 -0.001 0.000 0.225 180 G C -0.173 174.788 174.900 0.102 0.000 1.250 180 G CA -0.221 44.942 45.100 0.106 0.000 0.926 180 G HN 1.439 nan 8.290 nan 0.000 0.581 181 V N 2.941 122.923 119.914 0.113 0.000 2.470 181 V HA 0.333 4.452 4.120 -0.001 0.000 0.276 181 V C 0.603 176.761 176.094 0.106 0.000 1.040 181 V CA -0.145 62.207 62.300 0.087 0.000 1.008 181 V CB 0.777 32.644 31.823 0.072 0.000 0.990 181 V HN 0.606 nan 8.190 nan 0.000 0.477 182 N N 2.731 121.420 118.700 -0.019 0.000 2.404 182 N HA 0.570 5.309 4.740 -0.001 0.000 0.297 182 N C -0.784 174.715 175.510 -0.019 0.000 1.163 182 N CA -0.497 52.487 53.050 -0.110 0.000 0.864 182 N CB 2.195 40.542 38.487 -0.234 0.000 1.247 182 N HN 0.590 nan 8.380 nan 0.000 0.510 183 S N 0.274 115.971 115.700 -0.005 0.000 2.568 183 S HA 0.646 5.115 4.470 -0.001 0.000 0.293 183 S C -0.630 173.987 174.600 0.029 0.000 1.089 183 S CA -0.649 57.564 58.200 0.021 0.000 0.945 183 S CB 2.120 65.330 63.200 0.017 0.000 1.077 183 S HN 0.253 nan 8.310 nan 0.000 0.485 184 V N 1.117 121.069 119.914 0.063 0.000 2.760 184 V HA 0.913 5.032 4.120 -0.001 0.000 0.309 184 V C -0.668 175.503 176.094 0.129 0.000 1.077 184 V CA -0.593 61.743 62.300 0.059 0.000 0.910 184 V CB 1.729 33.584 31.823 0.053 0.000 1.008 184 V HN 1.063 nan 8.190 nan 0.000 0.424 185 A N 3.644 126.532 122.820 0.113 0.000 2.455 185 A HA 0.912 5.231 4.320 -0.001 0.000 0.300 185 A C -1.511 176.216 177.584 0.239 0.000 1.040 185 A CA -0.388 51.840 52.037 0.318 0.000 0.697 185 A CB 1.253 20.485 19.000 0.385 0.000 1.265 185 A HN 0.596 nan 8.150 nan 0.000 0.407 186 F N 1.318 121.502 119.950 0.391 0.000 2.436 186 F HA 0.494 5.020 4.527 -0.001 0.000 0.340 186 F C 0.700 176.530 175.800 0.051 0.000 1.113 186 F CA -0.249 57.858 58.000 0.178 0.000 1.022 186 F CB 2.082 41.056 39.000 -0.043 0.000 1.128 186 F HN 0.547 nan 8.300 nan 0.000 0.466 187 K N 4.078 124.381 120.400 -0.162 0.000 2.266 187 K HA 0.490 4.809 4.320 -0.001 0.000 0.274 187 K C -1.318 175.154 176.600 -0.215 0.000 1.090 187 K CA -0.351 55.484 56.287 -0.753 0.000 0.925 187 K CB 0.608 32.280 32.500 -1.380 0.000 1.225 187 K HN 0.504 nan 8.250 nan 0.000 0.458 188 V N 5.557 125.407 119.914 -0.106 0.000 2.432 188 V HA 0.206 4.326 4.120 -0.001 0.000 0.275 188 V C -0.289 175.816 176.094 0.017 0.000 1.043 188 V CA -0.615 61.705 62.300 0.032 0.000 0.925 188 V CB 0.147 31.961 31.823 -0.015 0.000 0.985 188 V HN 0.578 nan 8.190 nan 0.000 0.466 189 Y N 4.761 125.048 120.300 -0.021 0.000 2.354 189 Y HA 0.393 4.942 4.550 -0.001 0.000 0.322 189 Y C -1.865 174.048 175.900 0.023 0.000 1.253 189 Y CA -2.462 55.641 58.100 0.004 0.000 1.272 189 Y CB 1.031 39.479 38.460 -0.020 0.000 1.255 189 Y HN 0.458 nan 8.280 nan 0.000 0.500 190 P HA -0.083 nan 4.420 nan 0.000 0.266 190 P C -1.063 176.285 177.300 0.081 0.000 1.193 190 P CA 0.160 63.337 63.100 0.129 0.000 0.770 190 P CB 0.448 32.226 31.700 0.131 0.000 0.836 191 N N 1.718 120.441 118.700 0.039 0.000 2.421 191 N HA 0.294 5.034 4.740 -0.001 0.000 0.285 191 N C -1.429 174.078 175.510 -0.006 0.000 1.027 191 N CA -0.361 52.689 53.050 -0.001 0.000 0.918 191 N CB 0.489 38.963 38.487 -0.021 0.000 1.152 191 N HN 0.184 nan 8.380 nan 0.000 0.485 192 D N 3.899 124.282 120.400 -0.028 0.000 2.469 192 D HA 0.364 5.004 4.640 -0.001 0.000 0.251 192 D C -2.036 174.227 176.300 -0.062 0.000 1.173 192 D CA -2.198 51.782 54.000 -0.033 0.000 0.882 192 D CB 1.884 42.668 40.800 -0.026 0.000 1.129 192 D HN 0.324 nan 8.370 nan 0.000 0.549 193 P HA -0.068 nan 4.420 nan 0.000 0.222 193 P C 0.333 177.593 177.300 -0.068 0.000 1.147 193 P CA 0.910 63.969 63.100 -0.069 0.000 0.790 193 P CB 0.330 31.987 31.700 -0.071 0.000 0.780 194 N N -0.750 117.915 118.700 -0.058 0.000 2.416 194 N HA -0.006 4.734 4.740 -0.001 0.000 0.177 194 N C 2.009 177.464 175.510 -0.092 0.000 1.036 194 N CA 0.141 53.159 53.050 -0.053 0.000 0.901 194 N CB -0.125 38.344 38.487 -0.030 0.000 0.976 194 N HN 0.091 nan 8.380 nan 0.000 0.444 195 R N 0.547 120.979 120.500 -0.114 0.000 2.142 195 R HA 0.090 4.429 4.340 -0.001 0.000 0.204 195 R C -0.690 175.470 176.300 -0.233 0.000 1.059 195 R CA 0.485 56.497 56.100 -0.147 0.000 1.055 195 R CB 0.469 30.706 30.300 -0.104 0.000 0.976 195 R HN 0.084 nan 8.270 nan 0.000 0.483 196 D N 1.634 121.900 120.400 -0.223 0.000 2.177 196 D HA 0.133 4.773 4.640 -0.001 0.000 0.247 196 D C -0.352 175.705 176.300 -0.404 0.000 1.063 196 D CA -0.309 53.520 54.000 -0.286 0.000 0.867 196 D CB 1.915 42.602 40.800 -0.188 0.000 1.168 196 D HN 0.140 nan 8.370 nan 0.000 0.445 197 L N 2.159 123.026 121.223 -0.592 0.000 2.400 197 L HA 0.033 4.373 4.340 -0.001 0.000 0.262 197 L C 1.000 177.697 176.870 -0.288 0.000 1.309 197 L CA 0.301 54.566 54.840 -0.958 0.000 1.186 197 L CB -0.422 40.918 42.059 -1.199 0.000 1.375 197 L HN 0.256 nan 8.230 nan 0.000 0.433 198 S N 1.686 117.410 115.700 0.040 0.000 4.344 198 S HA 0.656 5.126 4.470 -0.001 0.000 0.236 198 S C -0.628 174.077 174.600 0.175 0.000 1.105 198 S CA -0.552 57.704 58.200 0.092 0.000 1.634 198 S CB 1.061 64.221 63.200 -0.067 0.000 1.220 198 S HN 0.354 nan 8.310 nan 0.000 0.740 199 M N 0.930 120.480 119.600 -0.084 0.000 2.326 199 M HA 0.587 5.066 4.480 -0.001 0.000 0.292 199 M C -0.451 175.623 176.300 -0.377 0.000 1.081 199 M CA -0.586 54.518 55.300 -0.327 0.000 0.919 199 M CB 2.102 34.445 32.600 -0.429 0.000 1.634 199 M HN 0.741 nan 8.290 nan 0.000 0.451 200 G N 0.685 109.181 108.800 -0.507 0.000 2.694 200 G HA2 0.604 4.563 3.960 -0.001 0.000 0.290 200 G HA3 0.604 4.563 3.960 -0.001 0.000 0.290 200 G C -1.473 173.068 174.900 -0.599 0.000 1.386 200 G CA -0.477 44.356 45.100 -0.446 0.000 0.872 200 G HN 0.942 nan 8.290 nan 0.000 0.475 201 W N 0.361 121.560 121.300 -0.168 0.000 3.239 201 W HA 0.393 5.053 4.660 -0.001 0.000 0.348 201 W C 1.430 177.669 176.519 -0.466 0.000 1.183 201 W CA -0.301 56.849 57.345 -0.324 0.000 1.819 201 W CB -0.387 28.921 29.460 -0.252 0.000 1.091 201 W HN 0.521 nan 8.180 nan 0.000 0.629 202 I N 0.772 121.230 120.570 -0.186 0.000 4.907 202 I HA -0.501 3.668 4.170 -0.001 0.000 0.038 202 I C 1.298 177.452 176.117 0.063 0.000 0.635 202 I CA 2.020 63.250 61.300 -0.117 0.000 0.207 202 I CB -0.909 36.928 38.000 -0.271 0.000 0.321 202 I HN 0.053 nan 8.210 nan 0.000 0.150 203 D N -0.834 119.711 120.400 0.242 0.000 2.535 203 D HA 0.085 4.724 4.640 -0.001 0.000 0.229 203 D C 0.986 177.624 176.300 0.562 0.000 1.238 203 D CA -0.208 54.024 54.000 0.387 0.000 0.824 203 D CB -0.279 40.832 40.800 0.518 0.000 1.045 203 D HN 0.559 nan 8.370 nan 0.000 0.500 204 W N 1.941 123.444 121.300 0.339 0.000 2.363 204 W HA 0.345 5.004 4.660 -0.001 0.000 0.296 204 W C 1.333 177.909 176.519 0.096 0.000 1.212 204 W CA 0.783 58.308 57.345 0.301 0.000 1.260 204 W CB -0.807 28.771 29.460 0.197 0.000 1.131 204 W HN 0.258 nan 8.180 nan 0.000 0.530 205 A N -1.658 121.199 122.820 0.062 0.000 3.508 205 A HA 0.543 4.862 4.320 -0.001 0.000 0.169 205 A C -0.513 176.754 177.584 -0.528 0.000 0.817 205 A CA -0.352 51.453 52.037 -0.386 0.000 1.256 205 A CB 0.477 18.847 19.000 -1.049 0.000 2.053 205 A HN -0.142 nan 8.150 nan 0.000 0.825 206 Q N 0.350 119.575 119.800 -0.958 0.000 2.423 206 Q HA 0.464 4.803 4.340 -0.001 0.000 0.278 206 Q C -1.411 174.245 176.000 -0.572 0.000 1.097 206 Q CA -0.491 54.901 55.803 -0.684 0.000 0.809 206 Q CB 1.701 29.909 28.738 -0.884 0.000 1.391 206 Q HN 0.630 nan 8.270 nan 0.000 0.428 207 T N 3.692 118.082 114.554 -0.273 0.000 2.829 207 T HA 0.182 4.532 4.350 -0.001 0.000 0.293 207 T C -2.278 172.316 174.700 -0.177 0.000 0.970 207 T CA -0.696 61.312 62.100 -0.154 0.000 1.168 207 T CB -0.194 68.644 68.868 -0.050 0.000 0.911 207 T HN 0.174 nan 8.240 nan 0.000 0.535 208 P HA 0.161 nan 4.420 nan 0.000 0.267 208 P C -1.917 175.265 177.300 -0.197 0.000 1.205 208 P CA -1.522 61.527 63.100 -0.085 0.000 0.765 208 P CB 0.211 31.946 31.700 0.058 0.000 0.828 209 P HA -0.217 nan 4.420 nan 0.000 0.217 209 P C 0.798 177.849 177.300 -0.416 0.000 1.151 209 P CA 1.638 64.507 63.100 -0.385 0.000 0.849 209 P CB -0.095 31.247 31.700 -0.597 0.000 0.787 210 D N -1.917 117.985 120.400 -0.829 0.000 2.339 210 D HA -0.034 4.606 4.640 -0.001 0.000 0.217 210 D C 0.596 176.709 176.300 -0.311 0.000 1.050 210 D CA -0.003 53.428 54.000 -0.948 0.000 0.856 210 D CB -0.911 39.109 40.800 -1.301 0.000 0.922 210 D HN 0.068 nan 8.370 nan 0.000 0.518 211 Q N 0.035 119.737 119.800 -0.165 0.000 2.457 211 Q HA -0.261 4.079 4.340 -0.001 0.000 0.283 211 Q C -0.574 175.432 176.000 0.010 0.000 1.234 211 Q CA 0.721 56.513 55.803 -0.018 0.000 0.877 211 Q CB -1.466 27.269 28.738 -0.005 0.000 1.250 211 Q HN 0.294 nan 8.270 nan 0.000 0.481 212 N N -1.974 116.737 118.700 0.019 0.000 2.753 212 N HA -0.227 4.513 4.740 -0.001 0.000 0.251 212 N C 0.185 175.689 175.510 -0.010 0.000 1.097 212 N CA 1.719 54.809 53.050 0.067 0.000 0.786 212 N CB -1.721 36.858 38.487 0.154 0.000 1.137 212 N HN 0.742 nan 8.380 nan 0.000 0.566 213 M N -0.928 118.631 119.600 -0.068 0.000 2.249 213 M HA 0.420 4.899 4.480 -0.001 0.000 0.340 213 M C 0.998 177.267 176.300 -0.051 0.000 1.166 213 M CA 1.184 56.452 55.300 -0.054 0.000 1.115 213 M CB 0.870 33.450 32.600 -0.033 0.000 1.606 213 M HN 0.247 nan 8.290 nan 0.000 0.448 214 G N 3.137 111.878 108.800 -0.099 0.000 2.278 214 G HA2 0.184 4.144 3.960 -0.001 0.000 0.265 214 G HA3 0.184 4.144 3.960 -0.001 0.000 0.265 214 G C -1.533 173.124 174.900 -0.406 0.000 1.329 214 G CA -0.800 44.143 45.100 -0.263 0.000 1.017 214 G HN 0.900 nan 8.290 nan 0.000 0.472 215 I N 1.607 121.846 120.570 -0.553 0.000 2.466 215 I HA 0.395 4.565 4.170 -0.001 0.000 0.279 215 I C 1.007 177.007 176.117 -0.195 0.000 1.033 215 I CA -0.795 60.223 61.300 -0.470 0.000 1.123 215 I CB 1.799 39.309 38.000 -0.816 0.000 1.237 215 I HN 0.730 nan 8.210 nan 0.000 0.460 216 V N 1.869 121.722 119.914 -0.101 0.000 3.483 216 V HA 0.448 4.568 4.120 -0.001 0.000 0.301 216 V C 0.668 176.761 176.094 -0.002 0.000 1.389 216 V CA 0.112 62.410 62.300 -0.003 0.000 1.101 216 V CB -0.519 31.316 31.823 0.021 0.000 0.971 216 V HN 0.668 nan 8.190 nan 0.000 0.434 217 R N -0.133 120.354 120.500 -0.021 0.000 2.950 217 R HA 0.553 4.893 4.340 -0.001 0.000 0.253 217 R C -1.056 175.266 176.300 0.038 0.000 1.168 217 R CA -0.951 55.139 56.100 -0.017 0.000 1.014 217 R CB 0.706 31.002 30.300 -0.006 0.000 1.228 217 R HN 0.166 nan 8.270 nan 0.000 0.487 218 D N 0.536 120.973 120.400 0.062 0.000 2.362 218 D HA 0.145 4.785 4.640 -0.001 0.000 0.242 218 D C -0.561 175.845 176.300 0.177 0.000 1.132 218 D CA 0.054 54.130 54.000 0.127 0.000 0.907 218 D CB 1.138 42.010 40.800 0.120 0.000 1.195 218 D HN -0.011 nan 8.370 nan 0.000 0.429 219 V N 2.822 122.864 119.914 0.214 0.000 2.394 219 V HA 0.253 4.372 4.120 -0.001 0.000 0.282 219 V C 0.268 176.525 176.094 0.272 0.000 1.031 219 V CA -0.680 61.788 62.300 0.280 0.000 0.881 219 V CB 1.021 32.992 31.823 0.248 0.000 0.982 219 V HN 0.268 nan 8.190 nan 0.000 0.451 220 L N 5.430 126.825 121.223 0.287 0.000 2.289 220 L HA 0.510 4.849 4.340 -0.001 0.000 0.285 220 L C -0.298 176.717 176.870 0.241 0.000 1.049 220 L CA -0.713 54.262 54.840 0.225 0.000 0.804 220 L CB 1.622 43.793 42.059 0.187 0.000 1.195 220 L HN 0.339 nan 8.230 nan 0.000 0.428 221 V N 4.157 124.187 119.914 0.194 0.000 2.368 221 V HA 0.318 4.438 4.120 -0.001 0.000 0.266 221 V C 0.362 176.561 176.094 0.174 0.000 1.045 221 V CA -0.497 61.914 62.300 0.184 0.000 0.899 221 V CB 0.504 32.412 31.823 0.141 0.000 1.006 221 V HN 0.685 nan 8.190 nan 0.000 0.470 222 R N 4.904 125.534 120.500 0.217 0.000 2.368 222 R HA 0.665 5.004 4.340 -0.001 0.000 0.302 222 R C -0.449 176.005 176.300 0.257 0.000 1.002 222 R CA -0.838 55.390 56.100 0.213 0.000 0.929 222 R CB 1.579 31.996 30.300 0.195 0.000 1.073 222 R HN 0.554 nan 8.270 nan 0.000 0.464 223 R N 0.790 121.407 120.500 0.194 0.000 2.832 223 R HA 0.593 4.933 4.340 -0.001 0.000 0.271 223 R C -0.573 175.836 176.300 0.182 0.000 0.996 223 R CA -0.791 55.423 56.100 0.190 0.000 0.977 223 R CB 2.026 32.398 30.300 0.119 0.000 1.168 223 R HN 0.953 nan 8.270 nan 0.000 0.482 224 S N -1.836 113.979 115.700 0.192 0.000 2.688 224 S HA 0.439 4.908 4.470 -0.001 0.000 0.269 224 S C -0.054 174.636 174.600 0.151 0.000 1.060 224 S CA -0.576 57.715 58.200 0.152 0.000 0.844 224 S CB 0.834 64.111 63.200 0.129 0.000 1.095 224 S HN 0.685 nan 8.310 nan 0.000 0.466 225 G N 0.593 109.458 108.800 0.109 0.000 2.679 225 G HA2 0.546 4.505 3.960 -0.001 0.000 0.202 225 G HA3 0.546 4.505 3.960 -0.001 0.000 0.202 225 G C 1.307 176.272 174.900 0.109 0.000 1.566 225 G CA -0.090 45.065 45.100 0.092 0.000 1.074 225 G HN 1.609 nan 8.290 nan 0.000 0.564 226 A N -1.686 121.183 122.820 0.081 0.000 2.019 226 A HA 0.276 4.596 4.320 -0.001 0.000 0.219 226 A C 0.903 178.538 177.584 0.085 0.000 1.164 226 A CA 1.032 53.117 52.037 0.079 0.000 0.644 226 A CB -0.332 18.701 19.000 0.054 0.000 0.805 226 A HN 0.382 nan 8.150 nan 0.000 0.449 227 V N -0.065 119.892 119.914 0.071 0.000 2.417 227 V HA 0.611 4.730 4.120 -0.001 0.000 0.291 227 V C 0.228 176.343 176.094 0.036 0.000 1.024 227 V CA -0.457 61.874 62.300 0.052 0.000 0.861 227 V CB 1.182 33.027 31.823 0.036 0.000 0.985 227 V HN 0.469 nan 8.190 nan 0.000 0.436 228 A N 5.003 127.821 122.820 -0.003 0.000 2.306 228 A HA 0.833 5.153 4.320 -0.001 0.000 0.314 228 A C -0.931 176.618 177.584 -0.058 0.000 1.164 228 A CA -0.442 51.537 52.037 -0.096 0.000 0.822 228 A CB 1.027 19.859 19.000 -0.280 0.000 1.130 228 A HN 0.776 nan 8.150 nan 0.000 0.496 229 L N 2.805 123.998 121.223 -0.051 0.000 2.322 229 L HA 0.737 5.076 4.340 -0.001 0.000 0.281 229 L C -0.396 176.463 176.870 -0.019 0.000 1.014 229 L CA -0.067 54.766 54.840 -0.011 0.000 0.815 229 L CB 1.007 43.076 42.059 0.016 0.000 1.247 229 L HN 0.746 nan 8.230 nan 0.000 0.421 230 R N 3.051 123.555 120.500 0.008 0.000 2.668 230 R HA 0.398 4.737 4.340 -0.001 0.000 0.272 230 R C -0.071 176.265 176.300 0.060 0.000 1.019 230 R CA -0.362 55.748 56.100 0.018 0.000 0.894 230 R CB 1.517 31.820 30.300 0.005 0.000 1.228 230 R HN 0.654 nan 8.270 nan 0.000 0.460 231 S N -0.167 115.572 115.700 0.065 0.000 3.586 231 S HA -0.211 4.259 4.470 -0.001 0.000 0.309 231 S C -0.063 174.653 174.600 0.192 0.000 1.195 231 S CA 0.726 58.985 58.200 0.099 0.000 0.895 231 S CB -0.875 62.398 63.200 0.122 0.000 0.983 231 S HN 0.868 nan 8.310 nan 0.000 0.563 232 A N 2.366 125.261 122.820 0.125 0.000 2.524 232 A HA 0.510 4.830 4.320 -0.001 0.000 0.250 232 A C 0.330 177.994 177.584 0.134 0.000 1.078 232 A CA 0.821 52.915 52.037 0.094 0.000 0.761 232 A CB 0.052 19.072 19.000 0.033 0.000 1.012 232 A HN 1.004 nan 8.150 nan 0.000 0.500 233 H N -0.875 118.152 119.070 -0.071 0.000 2.960 233 H HA 0.671 5.226 4.556 -0.001 0.000 0.323 233 H C -1.981 173.226 175.328 -0.202 0.000 1.326 233 H CA -1.216 54.759 56.048 -0.121 0.000 1.124 233 H CB 0.950 30.648 29.762 -0.107 0.000 1.853 233 H HN 0.447 nan 8.280 nan 0.000 0.536 234 V N 2.187 121.921 119.914 -0.299 0.000 2.409 234 V HA 0.276 4.396 4.120 -0.001 0.000 0.290 234 V C 0.443 176.316 176.094 -0.369 0.000 1.017 234 V CA -0.626 61.355 62.300 -0.533 0.000 0.841 234 V CB 1.093 32.240 31.823 -1.126 0.000 1.003 234 V HN 0.554 nan 8.190 nan 0.000 0.426 235 I N 5.429 125.837 120.570 -0.269 0.000 2.471 235 I HA 0.326 4.495 4.170 -0.001 0.000 0.286 235 I C 0.208 176.205 176.117 -0.200 0.000 1.079 235 I CA 0.207 61.411 61.300 -0.160 0.000 1.398 235 I CB 1.104 39.049 38.000 -0.091 0.000 1.403 235 I HN 0.824 nan 8.210 nan 0.000 0.530 236 Q N 5.949 125.659 119.800 -0.151 0.000 2.356 236 Q HA 0.700 5.039 4.340 -0.001 0.000 0.270 236 Q C -0.986 174.970 176.000 -0.074 0.000 1.058 236 Q CA -1.109 54.623 55.803 -0.118 0.000 0.802 236 Q CB 2.177 30.879 28.738 -0.060 0.000 1.303 236 Q HN 0.309 nan 8.270 nan 0.000 0.444 237 K N 2.240 122.600 120.400 -0.068 0.000 2.471 237 K HA 0.592 4.912 4.320 -0.001 0.000 0.252 237 K C -1.913 174.665 176.600 -0.037 0.000 0.938 237 K CA -0.697 55.563 56.287 -0.045 0.000 0.796 237 K CB 1.390 33.869 32.500 -0.035 0.000 1.161 237 K HN 0.676 nan 8.250 nan 0.000 0.425 238 L N 4.304 125.516 121.223 -0.018 0.000 2.325 238 L HA 0.526 4.866 4.340 -0.001 0.000 0.278 238 L C -0.547 176.338 176.870 0.025 0.000 1.023 238 L CA -0.403 54.435 54.840 -0.003 0.000 0.811 238 L CB 1.281 43.336 42.059 -0.008 0.000 1.249 238 L HN 0.931 nan 8.230 nan 0.000 0.431 239 N N 0.990 119.726 118.700 0.060 0.000 2.399 239 N HA 0.003 4.742 4.740 -0.001 0.000 0.250 239 N C 0.903 176.447 175.510 0.057 0.000 1.272 239 N CA 0.391 53.484 53.050 0.071 0.000 0.928 239 N CB 0.311 38.860 38.487 0.104 0.000 1.158 239 N HN 0.618 nan 8.380 nan 0.000 0.463 240 S N 0.045 115.776 115.700 0.051 0.000 2.383 240 S HA -0.184 4.286 4.470 -0.001 0.000 0.229 240 S C 1.809 176.450 174.600 0.068 0.000 1.030 240 S CA 1.001 59.233 58.200 0.052 0.000 1.002 240 S CB -0.933 62.295 63.200 0.046 0.000 0.829 240 S HN 0.792 nan 8.310 nan 0.000 0.467 241 A N 1.549 124.412 122.820 0.072 0.000 2.070 241 A HA 0.288 4.608 4.320 -0.001 0.000 0.220 241 A C 1.514 179.161 177.584 0.105 0.000 1.159 241 A CA 1.174 53.261 52.037 0.084 0.000 0.656 241 A CB -0.873 18.171 19.000 0.073 0.000 0.800 241 A HN 1.057 nan 8.150 nan 0.000 0.453 242 L N -1.759 119.523 121.223 0.098 0.000 4.351 242 L HA -0.231 4.109 4.340 -0.001 0.000 0.410 242 L C 0.415 177.356 176.870 0.117 0.000 1.150 242 L CA 0.605 55.506 54.840 0.103 0.000 0.961 242 L CB -2.144 40.001 42.059 0.142 0.000 2.130 242 L HN 0.690 nan 8.230 nan 0.000 0.787 243 D N -1.720 118.751 120.400 0.118 0.000 2.433 243 D HA 0.146 4.786 4.640 -0.001 0.000 0.211 243 D C 0.441 176.838 176.300 0.160 0.000 1.114 243 D CA 0.286 54.361 54.000 0.125 0.000 0.837 243 D CB 0.187 41.052 40.800 0.108 0.000 0.984 243 D HN 0.607 nan 8.370 nan 0.000 0.505 244 H N -0.059 119.036 119.070 0.041 0.000 2.894 244 H HA 0.689 5.245 4.556 -0.001 0.000 0.367 244 H C -1.765 173.576 175.328 0.022 0.000 1.144 244 H CA -0.510 55.555 56.048 0.028 0.000 1.180 244 H CB 1.987 31.761 29.762 0.019 0.000 1.758 244 H HN 0.087 nan 8.280 nan 0.000 0.541 245 A N 3.947 126.426 122.820 -0.568 0.000 2.435 245 A HA 0.480 4.800 4.320 -0.001 0.000 0.304 245 A C -1.336 175.957 177.584 -0.485 0.000 1.064 245 A CA -0.852 50.972 52.037 -0.354 0.000 0.727 245 A CB 1.433 20.333 19.000 -0.166 0.000 1.284 245 A HN 0.776 nan 8.150 nan 0.000 0.415 246 D N 1.564 121.824 120.400 -0.234 0.000 2.256 246 D HA 0.531 5.170 4.640 -0.001 0.000 0.246 246 D C -0.968 175.249 176.300 -0.139 0.000 1.042 246 D CA 0.016 53.923 54.000 -0.156 0.000 0.841 246 D CB 1.945 42.721 40.800 -0.040 0.000 1.223 246 D HN 0.411 nan 8.370 nan 0.000 0.470 247 L N 1.476 122.610 121.223 -0.148 0.000 2.333 247 L HA 0.353 4.693 4.340 -0.001 0.000 0.280 247 L C -0.012 176.756 176.870 -0.170 0.000 1.004 247 L CA -0.571 54.151 54.840 -0.196 0.000 0.820 247 L CB 1.920 43.832 42.059 -0.244 0.000 1.247 247 L HN 0.148 nan 8.230 nan 0.000 0.416 248 T N 2.511 116.953 114.554 -0.186 0.000 2.788 248 T HA 0.366 4.716 4.350 -0.001 0.000 0.296 248 T C 0.006 174.574 174.700 -0.221 0.000 1.009 248 T CA -0.402 61.611 62.100 -0.146 0.000 0.949 248 T CB 1.419 70.228 68.868 -0.097 0.000 0.946 248 T HN 0.158 nan 8.240 nan 0.000 0.453 249 V N 5.001 124.802 119.914 -0.189 0.000 2.461 249 V HA 0.371 4.491 4.120 -0.001 0.000 0.275 249 V C 0.310 176.360 176.094 -0.075 0.000 1.047 249 V CA -0.367 61.773 62.300 -0.267 0.000 0.955 249 V CB 0.753 32.288 31.823 -0.480 0.000 0.988 249 V HN 0.711 nan 8.190 nan 0.000 0.471 250 K N 3.138 123.366 120.400 -0.287 0.000 2.375 250 K HA 0.896 5.215 4.320 -0.001 0.000 0.249 250 K C -0.814 175.728 176.600 -0.096 0.000 0.942 250 K CA -0.584 55.596 56.287 -0.177 0.000 0.806 250 K CB 2.469 34.769 32.500 -0.334 0.000 1.227 250 K HN 0.807 nan 8.250 nan 0.000 0.430 251 A N 2.238 125.107 122.820 0.082 0.000 2.540 251 A HA 0.391 4.710 4.320 -0.001 0.000 0.297 251 A C -1.756 175.888 177.584 0.100 0.000 1.056 251 A CA -0.932 51.174 52.037 0.115 0.000 0.700 251 A CB 1.090 20.187 19.000 0.162 0.000 1.280 251 A HN 0.622 nan 8.150 nan 0.000 0.398 252 D N 1.084 121.540 120.400 0.093 0.000 2.264 252 D HA 0.506 5.145 4.640 -0.001 0.000 0.249 252 D C 0.123 176.448 176.300 0.042 0.000 1.070 252 D CA 0.211 54.249 54.000 0.064 0.000 0.912 252 D CB 1.796 42.637 40.800 0.069 0.000 1.193 252 D HN 0.745 nan 8.370 nan 0.000 0.427 253 V N -0.369 119.560 119.914 0.025 0.000 2.735 253 V HA 0.676 4.795 4.120 -0.001 0.000 0.310 253 V C -0.383 175.717 176.094 0.010 0.000 1.061 253 V CA -1.073 61.236 62.300 0.016 0.000 0.913 253 V CB 2.150 33.982 31.823 0.015 0.000 1.005 253 V HN 0.454 nan 8.190 nan 0.000 0.428 254 R N 2.848 123.352 120.500 0.007 0.000 2.502 254 R HA 0.457 4.796 4.340 -0.001 0.000 0.300 254 R C -1.033 175.286 176.300 0.032 0.000 0.984 254 R CA -0.509 55.600 56.100 0.015 0.000 0.882 254 R CB 1.469 31.774 30.300 0.009 0.000 1.180 254 R HN 0.921 nan 8.270 nan 0.000 0.444 255 N N 2.992 121.714 118.700 0.036 0.000 2.437 255 N HA 0.070 4.809 4.740 -0.001 0.000 0.243 255 N C -0.726 174.821 175.510 0.062 0.000 1.041 255 N CA -0.125 52.953 53.050 0.046 0.000 0.940 255 N CB 1.219 39.725 38.487 0.032 0.000 1.133 255 N HN 0.550 nan 8.380 nan 0.000 0.506 256 D N 0.317 120.773 120.400 0.093 0.000 2.369 256 D HA -0.001 4.639 4.640 -0.001 0.000 0.211 256 D C 0.429 176.774 176.300 0.075 0.000 1.077 256 D CA 0.187 54.252 54.000 0.108 0.000 0.842 256 D CB 0.201 41.122 40.800 0.201 0.000 0.947 256 D HN 0.599 nan 8.370 nan 0.000 0.509 257 S N -0.242 115.495 115.700 0.062 0.000 2.634 257 S HA 0.442 4.912 4.470 -0.001 0.000 0.261 257 S C 1.216 175.835 174.600 0.032 0.000 1.271 257 S CA -0.249 57.977 58.200 0.044 0.000 0.985 257 S CB 1.895 65.120 63.200 0.041 0.000 0.968 257 S HN 0.002 nan 8.310 nan 0.000 0.568 258 A N 0.709 123.544 122.820 0.024 0.000 2.251 258 A HA 0.306 4.626 4.320 -0.001 0.000 0.209 258 A C 0.309 177.902 177.584 0.016 0.000 1.187 258 A CA -0.290 51.758 52.037 0.018 0.000 0.823 258 A CB -0.943 18.066 19.000 0.014 0.000 0.846 258 A HN 0.840 nan 8.150 nan 0.000 0.486 259 N N -0.883 117.828 118.700 0.018 0.000 2.238 259 N HA 0.569 5.309 4.740 -0.001 0.000 0.302 259 N C -0.434 175.085 175.510 0.016 0.000 1.072 259 N CA -0.308 52.751 53.050 0.015 0.000 0.792 259 N CB 1.688 40.184 38.487 0.015 0.000 1.425 259 N HN 0.204 nan 8.380 nan 0.000 0.478 260 A N 0.951 123.779 122.820 0.012 0.000 2.498 260 A HA 0.461 4.780 4.320 -0.001 0.000 0.239 260 A C 0.194 177.785 177.584 0.011 0.000 1.068 260 A CA -0.107 51.937 52.037 0.010 0.000 0.766 260 A CB -0.130 18.874 19.000 0.007 0.000 1.003 260 A HN 0.532 nan 8.150 nan 0.000 0.497 261 V N -0.261 119.660 119.914 0.011 0.000 3.160 261 V HA 0.648 4.768 4.120 -0.001 0.000 0.310 261 V C -0.767 175.330 176.094 0.006 0.000 1.181 261 V CA -0.983 61.324 62.300 0.011 0.000 1.047 261 V CB 1.893 33.726 31.823 0.017 0.000 1.068 261 V HN 0.834 nan 8.190 nan 0.000 0.441 262 Q N 1.188 120.992 119.800 0.006 0.000 2.293 262 Q HA 0.585 4.924 4.340 -0.001 0.000 0.261 262 Q C -0.802 175.201 176.000 0.005 0.000 0.960 262 Q CA -0.170 55.634 55.803 0.001 0.000 0.882 262 Q CB 2.010 30.748 28.738 0.001 0.000 1.275 262 Q HN 0.992 nan 8.270 nan 0.000 0.445 263 T N 1.062 115.617 114.554 0.001 0.000 2.876 263 T HA 0.453 4.802 4.350 -0.001 0.000 0.289 263 T C -0.842 173.859 174.700 0.002 0.000 1.014 263 T CA -0.295 61.810 62.100 0.007 0.000 0.986 263 T CB 1.304 70.180 68.868 0.013 0.000 1.021 263 T HN 0.370 nan 8.240 nan 0.000 0.458 264 T N 3.857 118.421 114.554 0.016 0.000 2.758 264 T HA 0.504 4.854 4.350 -0.001 0.000 0.285 264 T C -0.448 174.283 174.700 0.052 0.000 0.981 264 T CA -0.430 61.683 62.100 0.022 0.000 0.965 264 T CB 0.818 69.702 68.868 0.028 0.000 0.927 264 T HN 0.487 nan 8.240 nan 0.000 0.448 265 V N 3.297 123.255 119.914 0.072 0.000 2.318 265 V HA 0.790 4.909 4.120 -0.001 0.000 0.271 265 V C 0.226 176.490 176.094 0.283 0.000 1.030 265 V CA -0.664 61.736 62.300 0.168 0.000 0.844 265 V CB 0.455 32.405 31.823 0.212 0.000 1.015 265 V HN 1.051 nan 8.190 nan 0.000 0.460 266 A N 3.578 126.509 122.820 0.185 0.000 2.515 266 A HA 1.077 5.396 4.320 -0.001 0.000 0.296 266 A C 0.132 177.752 177.584 0.060 0.000 1.094 266 A CA 0.018 52.144 52.037 0.148 0.000 0.718 266 A CB 2.228 21.290 19.000 0.103 0.000 1.307 266 A HN 1.407 nan 8.150 nan 0.000 0.408 267 G N -0.719 108.088 108.800 0.012 0.000 2.452 267 G HA2 0.616 4.576 3.960 -0.001 0.000 0.224 267 G HA3 0.616 4.576 3.960 -0.001 0.000 0.224 267 G C -0.563 174.311 174.900 -0.043 0.000 1.208 267 G CA 0.557 45.645 45.100 -0.019 0.000 0.946 267 G HN 1.918 nan 8.290 nan 0.000 0.481 268 T N -2.492 112.033 114.554 -0.049 0.000 2.893 268 T HA 0.708 5.057 4.350 -0.001 0.000 0.293 268 T C -1.304 173.367 174.700 -0.048 0.000 1.027 268 T CA -0.572 61.505 62.100 -0.039 0.000 0.988 268 T CB 1.927 70.798 68.868 0.004 0.000 1.043 268 T HN 1.688 nan 8.240 nan 0.000 0.461 269 V N 2.815 122.697 119.914 -0.054 0.000 2.487 269 V HA 0.650 4.769 4.120 -0.001 0.000 0.298 269 V C 0.644 176.768 176.094 0.050 0.000 1.028 269 V CA 0.207 62.505 62.300 -0.003 0.000 0.860 269 V CB 0.415 32.165 31.823 -0.122 0.000 0.991 269 V HN 2.050 nan 8.190 nan 0.000 0.427 270 A N 4.846 127.754 122.820 0.147 0.000 2.665 270 A HA 0.007 4.327 4.320 -0.001 0.000 0.301 270 A C 1.790 179.419 177.584 0.075 0.000 1.509 270 A CA 1.550 53.636 52.037 0.082 0.000 0.789 270 A CB -1.771 17.056 19.000 -0.288 0.000 1.024 270 A HN 2.896 nan 8.150 nan 0.000 0.460 271 G N -2.229 106.624 108.800 0.089 0.000 2.159 271 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.256 271 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.256 271 G C 0.024 174.944 174.900 0.033 0.000 0.977 271 G CA 1.144 46.285 45.100 0.068 0.000 0.652 271 G HN 1.161 nan 8.290 nan 0.000 0.531 272 K N 1.174 121.581 120.400 0.011 0.000 2.270 272 K HA 0.564 4.884 4.320 -0.001 0.000 0.255 272 K C -2.426 174.166 176.600 -0.014 0.000 0.936 272 K CA -2.148 54.137 56.287 -0.004 0.000 0.809 272 K CB 2.621 35.109 32.500 -0.020 0.000 1.131 272 K HN 0.016 nan 8.250 nan 0.000 0.427 273 P HA 0.211 nan 4.420 nan 0.000 0.280 273 P C -0.845 176.454 177.300 -0.002 0.000 1.244 273 P CA -0.238 62.862 63.100 0.001 0.000 0.784 273 P CB 0.492 32.202 31.700 0.017 0.000 0.913 274 I N -1.666 118.899 120.570 -0.009 0.000 2.865 274 I HA 0.785 4.955 4.170 -0.001 0.000 0.302 274 I C -0.842 175.377 176.117 0.169 0.000 1.140 274 I CA -1.012 60.312 61.300 0.040 0.000 1.021 274 I CB 2.531 40.428 38.000 -0.171 0.000 1.233 274 I HN 0.243 nan 8.210 nan 0.000 0.427 275 S N 2.650 118.554 115.700 0.339 0.000 2.584 275 S HA 0.457 4.926 4.470 -0.001 0.000 0.280 275 S C -1.628 173.075 174.600 0.171 0.000 1.162 275 S CA -0.521 57.848 58.200 0.283 0.000 0.951 275 S CB 1.470 64.747 63.200 0.128 0.000 1.108 275 S HN 0.684 nan 8.310 nan 0.000 0.464 276 Q N 2.160 121.974 119.800 0.024 0.000 2.359 276 Q HA 0.522 4.861 4.340 -0.001 0.000 0.274 276 Q C -1.210 174.719 176.000 -0.118 0.000 1.074 276 Q CA -0.643 55.036 55.803 -0.207 0.000 0.810 276 Q CB 2.314 30.673 28.738 -0.632 0.000 1.342 276 Q HN 0.678 nan 8.270 nan 0.000 0.427 277 T N 1.365 115.861 114.554 -0.097 0.000 2.812 277 T HA 0.636 4.985 4.350 -0.001 0.000 0.282 277 T C -0.031 174.625 174.700 -0.072 0.000 0.990 277 T CA -0.538 61.526 62.100 -0.060 0.000 0.960 277 T CB 1.127 69.977 68.868 -0.030 0.000 0.948 277 T HN 0.438 nan 8.240 nan 0.000 0.438 278 V N 0.393 120.271 119.914 -0.061 0.000 3.141 278 V HA 0.873 4.992 4.120 -0.001 0.000 0.312 278 V C -0.273 175.802 176.094 -0.031 0.000 1.157 278 V CA -1.033 61.234 62.300 -0.054 0.000 1.041 278 V CB 2.109 33.891 31.823 -0.068 0.000 1.071 278 V HN 0.732 nan 8.190 nan 0.000 0.441 279 S N 1.700 117.384 115.700 -0.026 0.000 2.541 279 S HA 0.848 5.317 4.470 -0.001 0.000 0.283 279 S C -0.600 173.993 174.600 -0.012 0.000 1.196 279 S CA -0.518 57.673 58.200 -0.015 0.000 1.062 279 S CB 0.931 64.123 63.200 -0.013 0.000 1.009 279 S HN 0.644 nan 8.310 nan 0.000 0.502 280 L N 2.094 123.314 121.223 -0.004 0.000 2.438 280 L HA 0.620 4.959 4.340 -0.001 0.000 0.270 280 L C 0.277 177.149 176.870 0.004 0.000 0.972 280 L CA -0.838 54.002 54.840 0.000 0.000 0.831 280 L CB 1.670 43.731 42.059 0.005 0.000 1.273 280 L HN 0.750 nan 8.230 nan 0.000 0.405 281 A N 2.259 125.080 122.820 0.003 0.000 2.409 281 A HA 0.653 4.973 4.320 -0.001 0.000 0.246 281 A C 0.585 178.175 177.584 0.011 0.000 1.099 281 A CA 0.177 52.217 52.037 0.005 0.000 0.789 281 A CB 0.327 19.329 19.000 0.003 0.000 1.053 281 A HN 0.836 nan 8.150 nan 0.000 0.503 282 A N 0.170 122.997 122.820 0.012 0.000 2.546 282 A HA 0.429 4.749 4.320 -0.001 0.000 0.243 282 A C 0.955 178.549 177.584 0.018 0.000 1.063 282 A CA 0.733 52.781 52.037 0.017 0.000 0.757 282 A CB -0.510 18.500 19.000 0.016 0.000 0.991 282 A HN 1.047 nan 8.150 nan 0.000 0.503 283 K N -0.468 119.947 120.400 0.026 0.000 3.500 283 K HA -0.190 4.130 4.320 -0.001 0.000 0.313 283 K C 0.203 176.815 176.600 0.021 0.000 1.338 283 K CA 1.637 57.941 56.287 0.027 0.000 0.963 283 K CB -1.207 31.306 32.500 0.022 0.000 1.267 283 K HN 0.947 nan 8.250 nan 0.000 0.448 284 E N 1.607 121.816 120.200 0.016 0.000 2.283 284 E HA 0.236 4.585 4.350 -0.001 0.000 0.278 284 E C -0.514 176.093 176.600 0.011 0.000 1.027 284 E CA -0.657 55.749 56.400 0.009 0.000 0.843 284 E CB 0.913 30.616 29.700 0.004 0.000 1.062 284 E HN 0.204 nan 8.360 nan 0.000 0.401 285 R N 3.651 124.154 120.500 0.006 0.000 2.445 285 R HA 0.343 4.683 4.340 -0.001 0.000 0.308 285 R C -0.948 175.353 176.300 0.002 0.000 0.961 285 R CA -0.571 55.532 56.100 0.006 0.000 0.862 285 R CB 0.980 31.283 30.300 0.005 0.000 1.144 285 R HN 0.405 nan 8.270 nan 0.000 0.447 286 K N 1.772 122.173 120.400 0.002 0.000 2.259 286 K HA 0.332 4.651 4.320 -0.001 0.000 0.249 286 K C -1.061 175.542 176.600 0.006 0.000 0.942 286 K CA -0.810 55.475 56.287 -0.003 0.000 0.816 286 K CB 2.445 34.935 32.500 -0.017 0.000 1.155 286 K HN 0.511 nan 8.250 nan 0.000 0.428 287 T N 1.812 116.371 114.554 0.009 0.000 2.744 287 T HA 0.218 4.568 4.350 -0.001 0.000 0.291 287 T C -0.322 174.370 174.700 -0.014 0.000 0.957 287 T CA -0.577 61.537 62.100 0.023 0.000 1.002 287 T CB 0.767 69.664 68.868 0.049 0.000 0.919 287 T HN 0.132 nan 8.240 nan 0.000 0.468 288 V N 4.658 124.556 119.914 -0.027 0.000 2.432 288 V HA 0.326 4.446 4.120 -0.001 0.000 0.275 288 V C 0.563 176.598 176.094 -0.098 0.000 1.043 288 V CA -0.573 61.654 62.300 -0.122 0.000 0.925 288 V CB 1.282 32.977 31.823 -0.213 0.000 0.985 288 V HN 0.928 nan 8.190 nan 0.000 0.466 289 T N 6.087 120.562 114.554 -0.131 0.000 2.758 289 T HA 0.556 4.905 4.350 -0.001 0.000 0.285 289 T C -0.375 174.257 174.700 -0.113 0.000 0.981 289 T CA -0.079 61.988 62.100 -0.055 0.000 0.965 289 T CB 0.351 69.199 68.868 -0.033 0.000 0.927 289 T HN 0.281 nan 8.240 nan 0.000 0.448 290 F N 3.651 123.553 119.950 -0.080 0.000 2.389 290 F HA 0.375 4.901 4.527 -0.001 0.000 0.337 290 F C -1.596 174.166 175.800 -0.063 0.000 1.112 290 F CA -2.272 55.687 58.000 -0.067 0.000 1.192 290 F CB 0.359 39.312 39.000 -0.080 0.000 1.185 290 F HN 0.349 nan 8.300 nan 0.000 0.552 291 P HA -0.020 nan 4.420 nan 0.000 0.267 291 P C -0.511 176.822 177.300 0.054 0.000 1.200 291 P CA -0.300 62.835 63.100 0.059 0.000 0.772 291 P CB 0.463 32.191 31.700 0.046 0.000 0.855 292 L N 3.091 124.328 121.223 0.022 0.000 2.573 292 L HA -0.012 4.328 4.340 -0.001 0.000 0.290 292 L C -0.376 176.494 176.870 0.000 0.000 1.247 292 L CA 0.945 55.787 54.840 0.002 0.000 0.876 292 L CB 0.258 42.320 42.059 0.006 0.000 1.123 292 L HN 0.075 nan 8.230 nan 0.000 0.505 293 V N 4.737 124.633 119.914 -0.031 0.000 2.444 293 V HA 0.522 4.641 4.120 -0.001 0.000 0.294 293 V C 0.557 176.620 176.094 -0.051 0.000 1.022 293 V CA -0.404 61.874 62.300 -0.037 0.000 0.850 293 V CB 1.324 33.105 31.823 -0.070 0.000 0.992 293 V HN 0.913 nan 8.190 nan 0.000 0.426 294 G N 3.835 112.633 108.800 -0.002 0.000 2.415 294 G HA2 0.541 4.500 3.960 -0.001 0.000 0.269 294 G HA3 0.541 4.500 3.960 -0.001 0.000 0.269 294 G C -1.134 173.731 174.900 -0.057 0.000 1.209 294 G CA -0.219 44.889 45.100 0.013 0.000 0.835 294 G HN 0.566 nan 8.290 nan 0.000 0.534 295 L N 1.944 123.042 121.223 -0.208 0.000 2.406 295 L HA 0.445 4.784 4.340 -0.001 0.000 0.270 295 L C -1.218 175.590 176.870 -0.103 0.000 0.982 295 L CA -0.758 53.990 54.840 -0.154 0.000 0.843 295 L CB 1.964 43.894 42.059 -0.216 0.000 1.225 295 L HN 0.358 nan 8.230 nan 0.000 0.412 296 D N 5.395 125.823 120.400 0.047 0.000 2.210 296 D HA 0.403 5.043 4.640 -0.001 0.000 0.249 296 D C -0.044 176.306 176.300 0.083 0.000 1.078 296 D CA -0.120 53.956 54.000 0.126 0.000 0.875 296 D CB 1.202 42.082 40.800 0.133 0.000 1.175 296 D HN 0.396 nan 8.370 nan 0.000 0.440 297 R N -0.071 120.488 120.500 0.098 0.000 3.205 297 R HA -0.113 4.226 4.340 -0.001 0.000 0.249 297 R C -2.333 174.027 176.300 0.100 0.000 0.937 297 R CA -0.002 56.153 56.100 0.091 0.000 0.641 297 R CB -2.587 27.758 30.300 0.075 0.000 1.114 297 R HN 0.380 nan 8.270 nan 0.000 0.451 298 P HA 0.009 nan 4.420 nan 0.000 0.269 298 P C 0.097 177.515 177.300 0.197 0.000 1.209 298 P CA -0.208 62.998 63.100 0.177 0.000 0.776 298 P CB 0.574 32.356 31.700 0.136 0.000 0.876 299 N N 2.664 121.496 118.700 0.220 0.000 2.605 299 N HA 0.050 4.790 4.740 -0.001 0.000 0.282 299 N C -0.499 175.104 175.510 0.155 0.000 1.206 299 N CA 0.033 53.106 53.050 0.038 0.000 1.074 299 N CB -0.671 37.571 38.487 -0.408 0.000 1.434 299 N HN 0.053 nan 8.380 nan 0.000 0.506 300 V N 3.401 123.428 119.914 0.189 0.000 2.599 300 V HA -0.100 4.020 4.120 -0.001 0.000 0.300 300 V C 0.695 176.835 176.094 0.077 0.000 1.034 300 V CA -0.421 61.938 62.300 0.100 0.000 1.115 300 V CB 0.008 31.810 31.823 -0.034 0.000 0.934 300 V HN 0.550 nan 8.190 nan 0.000 0.485 301 W N 5.843 127.065 121.300 -0.131 0.000 2.253 301 W HA 0.446 5.106 4.660 -0.001 0.000 0.322 301 W C -0.696 175.655 176.519 -0.279 0.000 1.342 301 W CA -0.398 56.895 57.345 -0.088 0.000 1.218 301 W CB 0.511 29.937 29.460 -0.056 0.000 1.205 301 W HN 0.543 nan 8.180 nan 0.000 0.551 302 W N 7.333 128.265 121.300 -0.614 0.000 2.864 302 W HA 0.389 5.048 4.660 -0.001 0.000 0.343 302 W C -1.837 174.033 176.519 -1.082 0.000 1.109 302 W CA -2.286 54.742 57.345 -0.528 0.000 1.192 302 W CB 0.794 30.077 29.460 -0.295 0.000 1.426 302 W HN 0.169 nan 8.180 nan 0.000 0.529 303 P HA 0.060 nan 4.420 nan 0.000 0.269 303 P C -0.329 176.865 177.300 -0.177 0.000 1.217 303 P CA 0.026 63.008 63.100 -0.197 0.000 0.783 303 P CB 0.350 32.097 31.700 0.079 0.000 0.898 304 A N 2.290 125.027 122.820 -0.140 0.000 2.565 304 A HA 0.364 4.684 4.320 -0.001 0.000 0.237 304 A C 1.662 179.193 177.584 -0.088 0.000 1.053 304 A CA 0.934 52.903 52.037 -0.114 0.000 0.755 304 A CB -1.527 17.432 19.000 -0.069 0.000 0.980 304 A HN 0.879 nan 8.150 nan 0.000 0.506 305 G N 1.258 109.998 108.800 -0.101 0.000 2.267 305 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.257 305 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.257 305 G C 0.826 175.645 174.900 -0.135 0.000 0.998 305 G CA 1.022 46.062 45.100 -0.099 0.000 0.620 305 G HN 0.738 nan 8.290 nan 0.000 0.529 306 M N 0.517 120.031 119.600 -0.142 0.000 2.502 306 M HA 0.452 4.931 4.480 -0.001 0.000 0.243 306 M C 1.303 177.265 176.300 -0.563 0.000 1.130 306 M CA 1.228 56.372 55.300 -0.261 0.000 1.055 306 M CB 0.689 33.253 32.600 -0.059 0.000 1.457 306 M HN 0.925 nan 8.290 nan 0.000 0.488 307 G N -0.725 107.862 108.800 -0.355 0.000 2.368 307 G HA2 0.337 4.297 3.960 -0.001 0.000 0.269 307 G HA3 0.337 4.297 3.960 -0.001 0.000 0.269 307 G C -0.957 173.861 174.900 -0.136 0.000 1.291 307 G CA -0.608 44.267 45.100 -0.375 0.000 0.903 307 G HN 0.225 nan 8.290 nan 0.000 0.483 308 G N -1.478 107.304 108.800 -0.029 0.000 2.616 308 G HA2 0.489 4.449 3.960 -0.001 0.000 0.268 308 G HA3 0.489 4.449 3.960 -0.001 0.000 0.268 308 G C -0.110 174.703 174.900 -0.145 0.000 1.213 308 G CA 0.001 45.076 45.100 -0.042 0.000 0.926 308 G HN 0.521 nan 8.290 nan 0.000 0.523 309 Q N -1.047 118.653 119.800 -0.166 0.000 2.158 309 Q HA 0.171 4.510 4.340 -0.001 0.000 0.306 309 Q C -0.302 175.776 176.000 0.130 0.000 0.878 309 Q CA -0.453 55.155 55.803 -0.324 0.000 1.136 309 Q CB 0.352 28.973 28.738 -0.195 0.000 1.253 309 Q HN 0.742 nan 8.270 nan 0.000 0.441 310 H N 0.645 119.730 119.070 0.025 0.000 3.034 310 H HA 0.170 4.725 4.556 -0.001 0.000 0.324 310 H C -0.374 174.957 175.328 0.006 0.000 1.015 310 H CA 0.724 56.745 56.048 -0.045 0.000 1.429 310 H CB 0.487 30.133 29.762 -0.194 0.000 1.429 310 H HN 0.050 nan 8.280 nan 0.000 0.585 311 R N 4.099 124.244 120.500 -0.593 0.000 2.514 311 R HA 0.236 4.575 4.340 -0.001 0.000 0.301 311 R C -0.838 174.840 176.300 -1.036 0.000 0.962 311 R CA -0.831 54.907 56.100 -0.603 0.000 0.882 311 R CB 1.131 31.257 30.300 -0.291 0.000 1.143 311 R HN 0.567 nan 8.270 nan 0.000 0.452 312 Y N 0.473 120.282 120.300 -0.819 0.000 2.326 312 Y HA 0.140 4.690 4.550 -0.001 0.000 0.324 312 Y C 0.562 176.122 175.900 -0.567 0.000 1.291 312 Y CA 0.129 57.801 58.100 -0.714 0.000 1.348 312 Y CB 0.888 38.769 38.460 -0.965 0.000 1.294 312 Y HN 0.378 nan 8.280 nan 0.000 0.525 313 D N 1.466 121.843 120.400 -0.038 0.000 2.248 313 D HA 0.373 5.013 4.640 -0.001 0.000 0.246 313 D C -1.377 175.034 176.300 0.184 0.000 1.027 313 D CA -0.462 53.566 54.000 0.048 0.000 0.853 313 D CB 2.497 43.320 40.800 0.038 0.000 1.243 313 D HN 0.251 nan 8.370 nan 0.000 0.462 314 L N 1.811 123.139 121.223 0.175 0.000 2.362 314 L HA 0.474 4.813 4.340 -0.001 0.000 0.275 314 L C -1.407 175.487 176.870 0.041 0.000 0.998 314 L CA -0.337 54.569 54.840 0.110 0.000 0.820 314 L CB 1.812 43.918 42.059 0.078 0.000 1.270 314 L HN 0.137 nan 8.230 nan 0.000 0.415 315 D N 5.218 125.621 120.400 0.004 0.000 2.686 315 D HA 0.502 5.142 4.640 -0.001 0.000 0.249 315 D C -1.740 174.551 176.300 -0.015 0.000 1.260 315 D CA -0.075 53.929 54.000 0.006 0.000 0.910 315 D CB 1.225 42.036 40.800 0.018 0.000 1.323 315 D HN 0.575 nan 8.370 nan 0.000 0.561 316 L N 2.103 123.324 121.223 -0.003 0.000 2.422 316 L HA 0.579 4.919 4.340 -0.001 0.000 0.264 316 L C -0.381 176.506 176.870 0.029 0.000 0.984 316 L CA -0.716 54.125 54.840 0.001 0.000 0.819 316 L CB 2.668 44.723 42.059 -0.008 0.000 1.330 316 L HN 0.275 nan 8.230 nan 0.000 0.410 317 T N 1.439 116.019 114.554 0.043 0.000 2.848 317 T HA 0.617 4.966 4.350 -0.001 0.000 0.285 317 T C -0.373 174.364 174.700 0.063 0.000 0.995 317 T CA -0.493 61.636 62.100 0.049 0.000 0.970 317 T CB 1.843 70.737 68.868 0.043 0.000 0.976 317 T HN 0.608 nan 8.240 nan 0.000 0.441 318 A N 2.796 125.649 122.820 0.056 0.000 2.260 318 A HA 0.717 5.036 4.320 -0.001 0.000 0.308 318 A C 0.249 177.860 177.584 0.045 0.000 1.254 318 A CA -0.496 51.573 52.037 0.054 0.000 0.874 318 A CB 0.378 19.406 19.000 0.046 0.000 1.153 318 A HN 0.688 nan 8.150 nan 0.000 0.527 319 S N 0.626 116.352 115.700 0.043 0.000 2.593 319 S HA 0.696 5.166 4.470 -0.001 0.000 0.297 319 S C -0.492 174.128 174.600 0.033 0.000 1.112 319 S CA -0.484 57.739 58.200 0.037 0.000 1.043 319 S CB 1.631 64.853 63.200 0.036 0.000 1.054 319 S HN 0.628 nan 8.310 nan 0.000 0.516 320 V N 1.177 121.110 119.914 0.032 0.000 2.577 320 V HA 0.678 4.797 4.120 -0.001 0.000 0.303 320 V C 0.623 176.732 176.094 0.026 0.000 1.042 320 V CA -0.214 62.103 62.300 0.028 0.000 0.872 320 V CB 1.054 32.895 31.823 0.030 0.000 0.998 320 V HN 1.222 nan 8.190 nan 0.000 0.423 321 G N 3.236 112.049 108.800 0.022 0.000 2.246 321 G HA2 0.096 4.055 3.960 -0.001 0.000 0.273 321 G HA3 0.096 4.055 3.960 -0.001 0.000 0.273 321 G C 1.023 175.935 174.900 0.021 0.000 1.055 321 G CA 0.410 45.522 45.100 0.020 0.000 0.851 321 G HN 2.467 nan 8.290 nan 0.000 0.500 322 G N -1.932 106.881 108.800 0.022 0.000 2.305 322 G HA2 0.070 4.029 3.960 -0.001 0.000 0.287 322 G HA3 0.070 4.029 3.960 -0.001 0.000 0.287 322 G C 0.229 175.144 174.900 0.025 0.000 1.036 322 G CA 1.037 46.151 45.100 0.023 0.000 0.887 322 G HN 1.738 nan 8.290 nan 0.000 0.505 323 T N 0.789 115.360 114.554 0.028 0.000 3.109 323 T HA 0.508 4.858 4.350 -0.001 0.000 0.311 323 T C -2.768 171.952 174.700 0.034 0.000 1.011 323 T CA -0.811 61.307 62.100 0.030 0.000 1.026 323 T CB 2.877 71.762 68.868 0.029 0.000 1.047 323 T HN -0.016 nan 8.240 nan 0.000 0.448 324 P HA 0.063 nan 4.420 nan 0.000 0.260 324 P C 0.290 177.616 177.300 0.042 0.000 1.172 324 P CA 0.425 63.548 63.100 0.039 0.000 0.760 324 P CB 0.712 32.435 31.700 0.038 0.000 0.773 325 S N 1.522 117.248 115.700 0.044 0.000 2.545 325 S HA 0.090 4.559 4.470 -0.001 0.000 0.232 325 S C 0.267 174.898 174.600 0.053 0.000 1.070 325 S CA 0.406 58.636 58.200 0.050 0.000 0.923 325 S CB 0.129 63.358 63.200 0.049 0.000 0.806 325 S HN 0.525 nan 8.310 nan 0.000 0.506 326 D N -0.890 119.537 120.400 0.044 0.000 2.622 326 D HA 0.681 5.321 4.640 -0.001 0.000 0.255 326 D C -1.611 174.711 176.300 0.037 0.000 1.246 326 D CA 0.039 54.062 54.000 0.038 0.000 0.795 326 D CB 1.870 42.682 40.800 0.020 0.000 1.369 326 D HN 0.334 nan 8.370 nan 0.000 0.425 327 A N 0.212 123.054 122.820 0.035 0.000 2.594 327 A HA 0.888 5.207 4.320 -0.001 0.000 0.295 327 A C -1.654 175.950 177.584 0.034 0.000 1.071 327 A CA -0.042 52.017 52.037 0.036 0.000 0.685 327 A CB 1.708 20.731 19.000 0.038 0.000 1.285 327 A HN 0.915 nan 8.150 nan 0.000 0.405 328 A N 1.438 124.277 122.820 0.032 0.000 2.459 328 A HA 0.746 5.065 4.320 -0.001 0.000 0.296 328 A C -0.938 176.664 177.584 0.030 0.000 1.039 328 A CA -0.538 51.518 52.037 0.032 0.000 0.698 328 A CB 1.304 20.322 19.000 0.030 0.000 1.261 328 A HN 0.637 nan 8.150 nan 0.000 0.405 329 K N 1.130 121.551 120.400 0.035 0.000 2.221 329 K HA 0.756 5.075 4.320 -0.001 0.000 0.258 329 K C -0.321 176.303 176.600 0.039 0.000 0.944 329 K CA -0.265 56.044 56.287 0.036 0.000 0.823 329 K CB 1.994 34.517 32.500 0.038 0.000 1.113 329 K HN 0.975 nan 8.250 nan 0.000 0.431 330 S N 1.779 117.505 115.700 0.043 0.000 2.776 330 S HA 0.587 5.056 4.470 -0.001 0.000 0.292 330 S C -1.215 173.418 174.600 0.055 0.000 1.187 330 S CA -1.058 57.168 58.200 0.043 0.000 0.834 330 S CB 1.902 65.124 63.200 0.036 0.000 1.199 330 S HN 0.469 nan 8.310 nan 0.000 0.514 331 K N -0.043 120.376 120.400 0.031 0.000 2.477 331 K HA 0.747 5.066 4.320 -0.001 0.000 0.255 331 K C -1.605 175.031 176.600 0.060 0.000 0.952 331 K CA -0.673 55.617 56.287 0.005 0.000 0.826 331 K CB 1.981 34.435 32.500 -0.076 0.000 1.331 331 K HN 0.709 nan 8.250 nan 0.000 0.437 332 F N -2.077 117.821 119.950 -0.087 0.000 2.662 332 F HA 0.747 5.273 4.527 -0.001 0.000 0.312 332 F C -0.402 175.368 175.800 -0.050 0.000 1.113 332 F CA -1.154 56.781 58.000 -0.109 0.000 0.951 332 F CB 1.316 40.268 39.000 -0.081 0.000 1.344 332 F HN 0.490 nan 8.300 nan 0.000 0.462 333 G N 0.473 109.268 108.800 -0.009 0.000 2.432 333 G HA2 0.569 4.528 3.960 -0.001 0.000 0.331 333 G HA3 0.569 4.528 3.960 -0.001 0.000 0.331 333 G C -1.847 173.152 174.900 0.165 0.000 1.170 333 G CA -1.082 43.998 45.100 -0.035 0.000 0.943 333 G HN 0.666 nan 8.290 nan 0.000 0.483 334 V N 2.838 122.886 119.914 0.223 0.000 2.304 334 V HA 0.623 4.743 4.120 -0.001 0.000 0.269 334 V C 0.334 176.484 176.094 0.093 0.000 1.036 334 V CA -0.491 61.928 62.300 0.197 0.000 0.840 334 V CB 0.224 32.206 31.823 0.265 0.000 1.036 334 V HN 0.818 nan 8.190 nan 0.000 0.466 335 R N 3.423 123.934 120.500 0.017 0.000 2.604 335 R HA 0.362 4.701 4.340 -0.001 0.000 0.261 335 R C -2.229 174.038 176.300 -0.056 0.000 1.080 335 R CA -0.536 55.542 56.100 -0.037 0.000 0.917 335 R CB 2.518 32.829 30.300 0.018 0.000 1.252 335 R HN 0.698 nan 8.270 nan 0.000 0.456 336 D N 2.181 122.541 120.400 -0.067 0.000 2.256 336 D HA 0.473 5.113 4.640 -0.001 0.000 0.246 336 D C -1.463 174.826 176.300 -0.019 0.000 1.042 336 D CA -0.527 53.445 54.000 -0.045 0.000 0.841 336 D CB 2.088 42.866 40.800 -0.036 0.000 1.223 336 D HN 0.307 nan 8.370 nan 0.000 0.470 337 V N 3.361 123.267 119.914 -0.014 0.000 2.709 337 V HA 0.622 4.741 4.120 -0.001 0.000 0.308 337 V C -1.473 174.632 176.094 0.017 0.000 1.062 337 V CA -0.467 61.853 62.300 0.032 0.000 0.901 337 V CB 1.596 33.452 31.823 0.055 0.000 1.003 337 V HN 0.612 nan 8.190 nan 0.000 0.425 338 K N 4.344 124.768 120.400 0.041 0.000 2.426 338 K HA 0.894 5.213 4.320 -0.001 0.000 0.251 338 K C -1.193 175.358 176.600 -0.082 0.000 0.941 338 K CA -0.501 55.776 56.287 -0.017 0.000 0.808 338 K CB 2.412 34.908 32.500 -0.007 0.000 1.265 338 K HN 0.897 nan 8.250 nan 0.000 0.432 339 A N 1.613 124.305 122.820 -0.214 0.000 2.569 339 A HA 0.467 4.786 4.320 -0.001 0.000 0.282 339 A C -0.689 176.719 177.584 -0.294 0.000 1.165 339 A CA -0.622 51.127 52.037 -0.479 0.000 0.747 339 A CB 0.575 19.019 19.000 -0.926 0.000 1.215 339 A HN 0.652 nan 8.150 nan 0.000 0.431 340 T N -0.150 114.292 114.554 -0.187 0.000 2.930 340 T HA 0.759 5.108 4.350 -0.001 0.000 0.290 340 T C -0.265 174.392 174.700 -0.071 0.000 1.052 340 T CA -0.814 61.223 62.100 -0.105 0.000 1.017 340 T CB 1.076 69.913 68.868 -0.052 0.000 1.137 340 T HN 0.396 nan 8.240 nan 0.000 0.511 341 L N 3.067 124.264 121.223 -0.044 0.000 2.305 341 L HA 0.403 4.743 4.340 -0.001 0.000 0.281 341 L C 0.767 177.643 176.870 0.011 0.000 1.085 341 L CA -1.023 53.810 54.840 -0.011 0.000 0.813 341 L CB 0.354 42.408 42.059 -0.009 0.000 1.157 341 L HN 0.804 nan 8.230 nan 0.000 0.436 342 N N 0.610 119.331 118.700 0.035 0.000 2.366 342 N HA 0.053 4.793 4.740 -0.001 0.000 0.277 342 N C 0.904 176.431 175.510 0.029 0.000 1.275 342 N CA -0.170 52.901 53.050 0.036 0.000 0.964 342 N CB 0.318 38.837 38.487 0.054 0.000 1.167 342 N HN 0.543 nan 8.380 nan 0.000 0.568 343 S N -1.811 113.903 115.700 0.022 0.000 2.447 343 S HA -0.075 4.394 4.470 -0.001 0.000 0.233 343 S C 1.193 175.803 174.600 0.016 0.000 1.006 343 S CA 0.638 58.847 58.200 0.014 0.000 0.957 343 S CB -0.716 62.487 63.200 0.005 0.000 0.773 343 S HN 0.508 nan 8.310 nan 0.000 0.507 344 S N 0.636 116.354 115.700 0.030 0.000 2.603 344 S HA 0.410 4.880 4.470 -0.001 0.000 0.220 344 S C 1.417 176.053 174.600 0.060 0.000 0.967 344 S CA 0.394 58.617 58.200 0.038 0.000 0.920 344 S CB -0.207 63.025 63.200 0.054 0.000 0.773 344 S HN 1.084 nan 8.310 nan 0.000 0.529 345 G N 1.248 110.082 108.800 0.056 0.000 2.147 345 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.244 345 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.244 345 G C 0.184 175.138 174.900 0.089 0.000 1.005 345 G CA -0.197 44.940 45.100 0.062 0.000 0.713 345 G HN 0.789 nan 8.290 nan 0.000 0.515 346 G N -0.659 108.209 108.800 0.112 0.000 2.367 346 G HA2 0.619 4.578 3.960 -0.001 0.000 0.314 346 G HA3 0.619 4.578 3.960 -0.001 0.000 0.314 346 G C 0.040 175.015 174.900 0.126 0.000 1.130 346 G CA -0.596 44.598 45.100 0.156 0.000 0.864 346 G HN 0.513 nan 8.290 nan 0.000 0.486 347 R N 0.612 121.184 120.500 0.120 0.000 2.449 347 R HA 0.294 4.633 4.340 -0.001 0.000 0.296 347 R C -0.224 176.161 176.300 0.141 0.000 1.047 347 R CA -0.082 56.024 56.100 0.009 0.000 1.018 347 R CB 0.608 30.796 30.300 -0.188 0.000 0.962 347 R HN 0.493 nan 8.270 nan 0.000 0.428 348 Q N 4.109 123.932 119.800 0.037 0.000 2.309 348 Q HA 0.281 4.620 4.340 -0.001 0.000 0.270 348 Q C -1.744 174.294 176.000 0.063 0.000 1.023 348 Q CA -0.468 55.432 55.803 0.163 0.000 0.758 348 Q CB 0.798 29.631 28.738 0.159 0.000 1.247 348 Q HN 0.634 nan 8.270 nan 0.000 0.455 349 Y N 1.286 121.698 120.300 0.187 0.000 2.320 349 Y HA 0.614 5.163 4.550 -0.001 0.000 0.324 349 Y C 0.347 176.337 175.900 0.149 0.000 1.190 349 Y CA 0.131 58.319 58.100 0.146 0.000 1.215 349 Y CB 1.900 40.461 38.460 0.170 0.000 1.221 349 Y HN 0.701 nan 8.280 nan 0.000 0.486 350 S N 0.783 116.649 115.700 0.278 0.000 2.536 350 S HA 0.793 5.262 4.470 -0.001 0.000 0.271 350 S C -1.776 172.939 174.600 0.191 0.000 1.134 350 S CA -0.874 57.457 58.200 0.218 0.000 0.897 350 S CB 1.307 64.602 63.200 0.158 0.000 1.094 350 S HN 0.334 nan 8.310 nan 0.000 0.473 351 V N 2.705 122.730 119.914 0.185 0.000 2.487 351 V HA 0.507 4.626 4.120 -0.001 0.000 0.298 351 V C 0.261 176.399 176.094 0.072 0.000 1.028 351 V CA -0.842 61.542 62.300 0.141 0.000 0.860 351 V CB 0.656 32.598 31.823 0.198 0.000 0.991 351 V HN 1.151 nan 8.190 nan 0.000 0.427 352 N N 3.640 122.316 118.700 -0.039 0.000 2.710 352 N HA -0.247 4.493 4.740 -0.001 0.000 0.249 352 N C 1.094 176.631 175.510 0.046 0.000 1.059 352 N CA 0.659 53.634 53.050 -0.124 0.000 0.720 352 N CB -0.749 37.392 38.487 -0.576 0.000 0.983 352 N HN 1.441 nan 8.380 nan 0.000 0.544 353 G N -1.287 107.562 108.800 0.083 0.000 2.176 353 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.253 353 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.253 353 G C -0.182 174.809 174.900 0.151 0.000 0.979 353 G CA 0.412 45.578 45.100 0.111 0.000 0.641 353 G HN 0.277 nan 8.290 nan 0.000 0.530 354 K N 1.416 121.934 120.400 0.197 0.000 2.240 354 K HA 0.489 4.808 4.320 -0.001 0.000 0.271 354 K C -2.652 174.075 176.600 0.211 0.000 1.018 354 K CA -2.084 54.332 56.287 0.216 0.000 0.874 354 K CB 2.200 34.868 32.500 0.280 0.000 1.098 354 K HN 0.133 nan 8.250 nan 0.000 0.458 355 P HA 0.238 nan 4.420 nan 0.000 0.275 355 P C -0.688 176.786 177.300 0.291 0.000 1.228 355 P CA -0.617 62.636 63.100 0.255 0.000 0.786 355 P CB 0.578 32.431 31.700 0.256 0.000 0.927 356 L N 2.528 123.916 121.223 0.274 0.000 2.408 356 L HA 0.384 4.724 4.340 -0.001 0.000 0.268 356 L C -0.668 176.178 176.870 -0.040 0.000 0.986 356 L CA -0.916 53.993 54.840 0.116 0.000 0.820 356 L CB 1.652 43.779 42.059 0.113 0.000 1.303 356 L HN 0.228 nan 8.230 nan 0.000 0.411 357 L N 4.761 125.630 121.223 -0.589 0.000 2.369 357 L HA 0.334 4.673 4.340 -0.001 0.000 0.279 357 L C -0.270 176.450 176.870 -0.250 0.000 1.108 357 L CA 0.329 54.789 54.840 -0.633 0.000 0.852 357 L CB 0.009 41.447 42.059 -1.035 0.000 1.169 357 L HN 0.288 nan 8.230 nan 0.000 0.452 358 I N 6.433 126.927 120.570 -0.128 0.000 2.517 358 I HA 0.116 4.286 4.170 -0.001 0.000 0.285 358 I C 0.439 176.456 176.117 -0.166 0.000 1.106 358 I CA 0.446 61.677 61.300 -0.115 0.000 1.402 358 I CB -0.148 37.824 38.000 -0.046 0.000 1.399 358 I HN 0.639 nan 8.210 nan 0.000 0.535 359 R N 4.596 125.046 120.500 -0.083 0.000 2.388 359 R HA 0.677 5.016 4.340 -0.001 0.000 0.314 359 R C 0.107 176.440 176.300 0.056 0.000 0.959 359 R CA -0.459 55.652 56.100 0.018 0.000 0.851 359 R CB 2.071 32.388 30.300 0.028 0.000 1.168 359 R HN 0.869 nan 8.270 nan 0.000 0.472 360 G N 0.459 109.332 108.800 0.121 0.000 2.706 360 G HA2 0.687 4.647 3.960 -0.001 0.000 0.307 360 G HA3 0.687 4.647 3.960 -0.001 0.000 0.307 360 G C -1.311 173.689 174.900 0.167 0.000 1.307 360 G CA -0.571 44.590 45.100 0.102 0.000 0.790 360 G HN 0.598 nan 8.290 nan 0.000 0.503 361 G N -1.791 107.087 108.800 0.130 0.000 2.660 361 G HA2 0.652 4.612 3.960 -0.001 0.000 0.294 361 G HA3 0.652 4.612 3.960 -0.001 0.000 0.294 361 G C -0.256 174.695 174.900 0.085 0.000 1.369 361 G CA 0.146 45.325 45.100 0.131 0.000 0.912 361 G HN 1.252 nan 8.290 nan 0.000 0.479 362 G N -0.569 108.234 108.800 0.005 0.000 2.360 362 G HA2 0.432 4.392 3.960 -0.001 0.000 0.279 362 G HA3 0.432 4.392 3.960 -0.001 0.000 0.279 362 G C -0.643 174.094 174.900 -0.271 0.000 1.189 362 G CA -0.092 44.939 45.100 -0.116 0.000 0.941 362 G HN 0.622 nan 8.290 nan 0.000 0.445 363 Y N 2.395 122.577 120.300 -0.197 0.000 2.310 363 Y HA 0.595 5.144 4.550 -0.001 0.000 0.326 363 Y C 0.459 176.235 175.900 -0.206 0.000 1.151 363 Y CA -0.327 57.677 58.100 -0.161 0.000 1.195 363 Y CB 2.000 40.470 38.460 0.017 0.000 1.210 363 Y HN 0.522 nan 8.280 nan 0.000 0.483 364 T N 8.072 122.104 114.554 -0.870 0.000 2.900 364 T HA 0.542 4.892 4.350 -0.001 0.000 0.295 364 T C -2.855 171.362 174.700 -0.806 0.000 1.044 364 T CA -2.290 59.474 62.100 -0.560 0.000 0.995 364 T CB 1.513 70.240 68.868 -0.234 0.000 1.072 364 T HN 0.559 nan 8.240 nan 0.000 0.473 365 P HA 0.266 nan 4.420 nan 0.000 0.297 365 P C -0.618 176.721 177.300 0.065 0.000 1.303 365 P CA -0.325 62.774 63.100 -0.002 0.000 0.753 365 P CB 0.345 32.192 31.700 0.244 0.000 1.281 366 D N -0.976 119.495 120.400 0.118 0.000 2.472 366 D HA -0.071 4.568 4.640 -0.001 0.000 0.237 366 D C 1.243 177.486 176.300 -0.094 0.000 1.141 366 D CA -0.195 53.837 54.000 0.055 0.000 0.875 366 D CB 0.142 41.036 40.800 0.157 0.000 1.192 366 D HN 0.053 nan 8.370 nan 0.000 0.450 367 L N 3.533 124.418 121.223 -0.564 0.000 2.189 367 L HA -0.069 4.270 4.340 -0.001 0.000 0.214 367 L C 0.715 177.045 176.870 -0.901 0.000 1.097 367 L CA 1.726 55.786 54.840 -1.300 0.000 0.764 367 L CB -0.401 40.679 42.059 -1.632 0.000 0.900 367 L HN 0.531 nan 8.230 nan 0.000 0.436 368 F N -1.680 118.309 119.950 0.065 0.000 2.698 368 F HA 0.369 4.895 4.527 -0.001 0.000 0.304 368 F C 0.986 176.895 175.800 0.181 0.000 1.108 368 F CA -0.676 57.406 58.000 0.136 0.000 1.263 368 F CB -0.319 38.743 39.000 0.103 0.000 1.013 368 F HN -0.214 nan 8.300 nan 0.000 0.532 369 L N -0.120 121.295 121.223 0.320 0.000 4.001 369 L HA -0.306 4.034 4.340 -0.001 0.000 0.413 369 L C 0.265 177.321 176.870 0.309 0.000 1.185 369 L CA 0.347 55.377 54.840 0.317 0.000 0.963 369 L CB -1.672 40.554 42.059 0.280 0.000 1.976 369 L HN 0.259 nan 8.230 nan 0.000 0.939 370 R N 0.931 121.607 120.500 0.293 0.000 2.404 370 R HA 0.086 4.425 4.340 -0.001 0.000 0.315 370 R C 0.118 176.592 176.300 0.289 0.000 1.032 370 R CA -0.014 56.241 56.100 0.259 0.000 0.992 370 R CB 0.513 30.931 30.300 0.197 0.000 0.959 370 R HN 0.281 nan 8.270 nan 0.000 0.428 371 W N 5.296 126.678 121.300 0.137 0.000 2.469 371 W HA 0.307 4.966 4.660 -0.001 0.000 0.320 371 W C -1.114 175.479 176.519 0.122 0.000 1.086 371 W CA -0.551 56.877 57.345 0.137 0.000 1.211 371 W CB 1.372 30.916 29.460 0.139 0.000 1.298 371 W HN 0.485 nan 8.180 nan 0.000 0.525 372 N N 4.184 122.319 118.700 -0.941 0.000 2.503 372 N HA -0.015 4.725 4.740 -0.001 0.000 0.287 372 N C 0.195 175.078 175.510 -1.046 0.000 1.096 372 N CA -0.109 52.502 53.050 -0.731 0.000 0.936 372 N CB 1.850 40.157 38.487 -0.299 0.000 1.570 372 N HN 0.704 nan 8.380 nan 0.000 0.504 373 E N 1.630 121.439 120.200 -0.652 0.000 2.077 373 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 373 E C 0.723 177.178 176.600 -0.242 0.000 0.989 373 E CA 1.753 57.946 56.400 -0.346 0.000 0.800 373 E CB 0.336 30.112 29.700 0.127 0.000 0.746 373 E HN 0.662 nan 8.360 nan 0.000 0.452 374 T N 0.612 115.064 114.554 -0.170 0.000 2.746 374 T HA -0.147 4.202 4.350 -0.001 0.000 0.267 374 T C 1.875 176.486 174.700 -0.148 0.000 1.039 374 T CA 1.212 63.243 62.100 -0.115 0.000 1.142 374 T CB -0.315 68.507 68.868 -0.077 0.000 0.866 374 T HN 0.308 nan 8.240 nan 0.000 0.444 375 A N 1.485 124.188 122.820 -0.195 0.000 1.940 375 A HA 0.051 4.370 4.320 -0.001 0.000 0.219 375 A C 2.620 180.121 177.584 -0.138 0.000 1.176 375 A CA 1.992 53.929 52.037 -0.166 0.000 0.631 375 A CB -1.076 17.829 19.000 -0.158 0.000 0.814 375 A HN 0.529 nan 8.150 nan 0.000 0.446 376 A N -0.302 122.399 122.820 -0.197 0.000 1.873 376 A HA 0.231 4.550 4.320 -0.001 0.000 0.215 376 A C 2.533 180.107 177.584 -0.016 0.000 1.186 376 A CA 1.930 53.950 52.037 -0.028 0.000 0.616 376 A CB -1.094 17.871 19.000 -0.059 0.000 0.823 376 A HN 1.096 nan 8.150 nan 0.000 0.442 377 A N 0.233 123.012 122.820 -0.068 0.000 1.908 377 A HA -0.240 4.080 4.320 -0.001 0.000 0.218 377 A C 1.769 179.302 177.584 -0.085 0.000 1.181 377 A CA 2.077 54.072 52.037 -0.071 0.000 0.627 377 A CB -0.665 18.305 19.000 -0.050 0.000 0.818 377 A HN 0.473 nan 8.150 nan 0.000 0.445 378 D N -0.333 119.993 120.400 -0.124 0.000 2.117 378 D HA -0.110 4.530 4.640 -0.001 0.000 0.197 378 D C 1.982 178.072 176.300 -0.351 0.000 0.987 378 D CA 1.403 55.273 54.000 -0.217 0.000 0.829 378 D CB -0.266 40.376 40.800 -0.263 0.000 0.961 378 D HN 0.520 nan 8.370 nan 0.000 0.460 379 K N 0.238 120.496 120.400 -0.237 0.000 2.026 379 K HA -0.040 4.280 4.320 -0.001 0.000 0.208 379 K C 2.337 178.962 176.600 0.043 0.000 1.048 379 K CA 0.610 56.822 56.287 -0.124 0.000 0.929 379 K CB -0.189 32.488 32.500 0.295 0.000 0.713 379 K HN 0.130 nan 8.250 nan 0.000 0.439 380 L N 1.088 122.320 121.223 0.015 0.000 2.141 380 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 380 L C 2.219 179.099 176.870 0.017 0.000 1.094 380 L CA 1.208 56.034 54.840 -0.023 0.000 0.763 380 L CB -0.232 41.711 42.059 -0.192 0.000 0.908 380 L HN 0.126 nan 8.230 nan 0.000 0.437 381 K N -1.125 119.286 120.400 0.018 0.000 2.148 381 K HA -0.169 4.151 4.320 -0.001 0.000 0.204 381 K C 2.053 178.761 176.600 0.181 0.000 1.050 381 K CA 1.106 57.436 56.287 0.072 0.000 0.942 381 K CB -0.104 32.434 32.500 0.064 0.000 0.724 381 K HN 0.117 nan 8.250 nan 0.000 0.446 382 Y N 0.672 120.938 120.300 -0.056 0.000 2.274 382 Y HA -0.185 4.364 4.550 -0.001 0.000 0.290 382 Y C 2.152 178.076 175.900 0.040 0.000 1.145 382 Y CA 0.274 58.361 58.100 -0.021 0.000 1.203 382 Y CB -0.553 37.749 38.460 -0.263 0.000 0.984 382 Y HN -0.204 nan 8.280 nan 0.000 0.533 383 V N -0.093 119.945 119.914 0.207 0.000 2.287 383 V HA -0.328 3.792 4.120 -0.001 0.000 0.248 383 V C 2.414 178.515 176.094 0.012 0.000 1.053 383 V CA 1.787 64.153 62.300 0.110 0.000 1.027 383 V CB -0.847 31.035 31.823 0.098 0.000 0.646 383 V HN 0.332 nan 8.190 nan 0.000 0.447 384 L N 0.260 121.495 121.223 0.020 0.000 2.056 384 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 384 L C 2.530 179.380 176.870 -0.033 0.000 1.078 384 L CA 1.951 56.782 54.840 -0.015 0.000 0.749 384 L CB -0.855 41.201 42.059 -0.005 0.000 0.901 384 L HN 0.490 nan 8.230 nan 0.000 0.433 385 N N 0.950 119.646 118.700 -0.007 0.000 2.289 385 N HA -0.172 4.567 4.740 -0.001 0.000 0.184 385 N C 1.836 177.293 175.510 -0.089 0.000 1.016 385 N CA 0.982 54.022 53.050 -0.016 0.000 0.872 385 N CB 0.096 38.590 38.487 0.011 0.000 0.973 385 N HN 0.343 nan 8.380 nan 0.000 0.433 386 L N -0.060 121.056 121.223 -0.177 0.000 2.478 386 L HA 0.072 4.412 4.340 -0.001 0.000 0.223 386 L C 1.487 178.178 176.870 -0.297 0.000 1.140 386 L CA 0.647 55.283 54.840 -0.340 0.000 0.842 386 L CB -0.281 41.522 42.059 -0.426 0.000 0.953 386 L HN 0.317 nan 8.230 nan 0.000 0.452 387 G N 0.296 108.978 108.800 -0.196 0.000 2.148 387 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.254 387 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.254 387 G C 0.245 175.025 174.900 -0.200 0.000 0.981 387 G CA -0.033 44.956 45.100 -0.185 0.000 0.670 387 G HN 0.231 nan 8.290 nan 0.000 0.528 388 L N 0.100 121.205 121.223 -0.196 0.000 2.418 388 L HA 0.387 4.726 4.340 -0.001 0.000 0.265 388 L C 1.499 178.323 176.870 -0.078 0.000 1.143 388 L CA -0.121 54.624 54.840 -0.158 0.000 0.809 388 L CB 0.789 42.767 42.059 -0.135 0.000 1.124 388 L HN 0.326 nan 8.230 nan 0.000 0.456 389 N N -1.571 117.099 118.700 -0.049 0.000 2.220 389 N HA 0.051 4.791 4.740 -0.001 0.000 0.195 389 N C -0.322 175.196 175.510 0.014 0.000 1.123 389 N CA -0.138 52.903 53.050 -0.015 0.000 0.874 389 N CB 0.746 39.225 38.487 -0.013 0.000 0.995 389 N HN 0.486 nan 8.380 nan 0.000 0.498 390 T N 0.082 114.645 114.554 0.015 0.000 2.956 390 T HA 0.537 4.886 4.350 -0.001 0.000 0.312 390 T C -1.180 173.554 174.700 0.057 0.000 1.151 390 T CA -0.815 61.304 62.100 0.031 0.000 1.024 390 T CB 2.313 71.185 68.868 0.007 0.000 1.140 390 T HN 0.076 nan 8.240 nan 0.000 0.473 391 V N 0.544 120.501 119.914 0.071 0.000 2.604 391 V HA 0.755 4.874 4.120 -0.001 0.000 0.305 391 V C -0.170 175.998 176.094 0.122 0.000 1.043 391 V CA -1.201 61.166 62.300 0.111 0.000 0.888 391 V CB 1.697 33.599 31.823 0.130 0.000 0.995 391 V HN 0.877 nan 8.190 nan 0.000 0.429 392 R N 3.083 123.665 120.500 0.137 0.000 2.349 392 R HA 0.717 5.056 4.340 -0.001 0.000 0.299 392 R C -1.518 174.879 176.300 0.161 0.000 1.027 392 R CA -0.718 55.462 56.100 0.133 0.000 0.958 392 R CB 1.281 31.667 30.300 0.142 0.000 1.047 392 R HN 0.791 nan 8.270 nan 0.000 0.468 393 L N 3.665 124.967 121.223 0.132 0.000 2.318 393 L HA 0.306 4.645 4.340 -0.001 0.000 0.277 393 L C -0.172 176.768 176.870 0.116 0.000 1.008 393 L CA -0.024 54.913 54.840 0.163 0.000 0.846 393 L CB 1.604 43.757 42.059 0.156 0.000 1.220 393 L HN 0.607 nan 8.230 nan 0.000 0.423 394 E N 3.258 123.621 120.200 0.273 0.000 2.070 394 E HA 0.437 4.786 4.350 -0.001 0.000 0.282 394 E C 0.932 177.740 176.600 0.348 0.000 1.104 394 E CA 0.358 56.940 56.400 0.303 0.000 0.876 394 E CB 0.459 30.496 29.700 0.563 0.000 1.055 394 E HN 0.748 nan 8.360 nan 0.000 0.401 395 G N 4.476 113.317 108.800 0.069 0.000 2.574 395 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.295 395 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.295 395 G C -0.054 174.942 174.900 0.159 0.000 1.300 395 G CA 0.404 45.486 45.100 -0.029 0.000 0.944 395 G HN 1.053 nan 8.290 nan 0.000 0.551 396 H N -1.973 117.136 119.070 0.064 0.000 2.636 396 H HA -0.149 4.406 4.556 -0.001 0.000 0.312 396 H C 0.977 176.397 175.328 0.154 0.000 1.106 396 H CA 0.796 56.873 56.048 0.048 0.000 1.139 396 H CB -2.037 27.687 29.762 -0.064 0.000 1.423 396 H HN 0.700 nan 8.280 nan 0.000 0.407 397 I N 1.277 122.053 120.570 0.344 0.000 2.581 397 I HA -0.023 4.147 4.170 -0.001 0.000 0.285 397 I C 1.128 177.433 176.117 0.313 0.000 1.129 397 I CA 0.261 61.749 61.300 0.313 0.000 1.397 397 I CB 0.331 38.472 38.000 0.235 0.000 1.399 397 I HN 0.252 nan 8.210 nan 0.000 0.537 398 E N 7.896 128.210 120.200 0.190 0.000 2.408 398 E HA 0.185 4.534 4.350 -0.001 0.000 0.259 398 E C -2.069 174.639 176.600 0.181 0.000 1.110 398 E CA -1.437 54.998 56.400 0.058 0.000 0.929 398 E CB 0.140 29.594 29.700 -0.411 0.000 0.971 398 E HN 0.293 nan 8.360 nan 0.000 0.438 399 P HA -0.081 nan 4.420 nan 0.000 0.270 399 P C 0.206 177.543 177.300 0.062 0.000 1.221 399 P CA 0.098 63.102 63.100 -0.160 0.000 0.788 399 P CB 0.441 31.718 31.700 -0.705 0.000 0.904 400 D N 0.887 121.336 120.400 0.082 0.000 2.116 400 D HA -0.183 4.457 4.640 -0.001 0.000 0.193 400 D C 1.550 177.974 176.300 0.207 0.000 0.998 400 D CA 1.630 55.745 54.000 0.192 0.000 0.836 400 D CB -0.468 40.429 40.800 0.162 0.000 0.951 400 D HN 0.509 nan 8.370 nan 0.000 0.449 401 E N -0.213 120.076 120.200 0.148 0.000 2.171 401 E HA -0.167 4.182 4.350 -0.001 0.000 0.197 401 E C 1.757 178.535 176.600 0.297 0.000 0.997 401 E CA 0.441 56.991 56.400 0.250 0.000 0.810 401 E CB -0.394 29.536 29.700 0.383 0.000 0.738 401 E HN 0.347 nan 8.360 nan 0.000 0.467 402 F N -0.201 119.850 119.950 0.168 0.000 2.126 402 F HA -0.192 4.334 4.527 -0.001 0.000 0.299 402 F C 1.464 177.107 175.800 -0.261 0.000 1.096 402 F CA 1.393 59.396 58.000 0.005 0.000 1.255 402 F CB -0.078 38.841 39.000 -0.136 0.000 0.997 402 F HN -0.026 nan 8.300 nan 0.000 0.479 403 F N 0.276 120.171 119.950 -0.093 0.000 2.335 403 F HA -0.076 4.450 4.527 -0.001 0.000 0.296 403 F C 2.257 177.886 175.800 -0.285 0.000 1.091 403 F CA 0.836 58.622 58.000 -0.357 0.000 1.399 403 F CB -0.731 37.882 39.000 -0.645 0.000 1.067 403 F HN -0.093 nan 8.300 nan 0.000 0.520 404 D N 0.785 121.211 120.400 0.042 0.000 2.123 404 D HA -0.177 4.463 4.640 -0.001 0.000 0.196 404 D C 2.395 178.744 176.300 0.083 0.000 0.992 404 D CA 1.447 55.556 54.000 0.182 0.000 0.833 404 D CB -0.311 40.607 40.800 0.197 0.000 0.954 404 D HN 0.271 nan 8.370 nan 0.000 0.455 405 I N 1.256 121.821 120.570 -0.009 0.000 2.163 405 I HA -0.232 3.938 4.170 -0.001 0.000 0.240 405 I C 2.607 178.661 176.117 -0.105 0.000 1.081 405 I CA 0.965 62.230 61.300 -0.059 0.000 1.353 405 I CB -0.249 37.688 38.000 -0.104 0.000 1.054 405 I HN -0.094 nan 8.210 nan 0.000 0.407 406 A N 0.642 123.304 122.820 -0.263 0.000 1.917 406 A HA -0.290 4.030 4.320 -0.001 0.000 0.219 406 A C 1.924 179.556 177.584 0.079 0.000 1.182 406 A CA 2.356 54.277 52.037 -0.193 0.000 0.633 406 A CB -0.741 18.041 19.000 -0.363 0.000 0.819 406 A HN 0.389 nan 8.150 nan 0.000 0.448 407 D N 0.232 120.708 120.400 0.126 0.000 2.092 407 D HA -0.137 4.503 4.640 -0.001 0.000 0.193 407 D C 1.425 177.973 176.300 0.413 0.000 0.994 407 D CA 1.577 55.751 54.000 0.290 0.000 0.828 407 D CB -0.550 40.364 40.800 0.190 0.000 0.963 407 D HN 0.393 nan 8.370 nan 0.000 0.450 408 D N -0.068 120.457 120.400 0.208 0.000 2.182 408 D HA -0.085 4.555 4.640 -0.001 0.000 0.201 408 D C 2.124 178.484 176.300 0.099 0.000 0.986 408 D CA 0.479 54.566 54.000 0.144 0.000 0.847 408 D CB -0.114 40.730 40.800 0.074 0.000 0.942 408 D HN 0.265 nan 8.370 nan 0.000 0.467 409 L N -1.052 120.219 121.223 0.082 0.000 2.477 409 L HA 0.201 4.540 4.340 -0.001 0.000 0.220 409 L C 1.362 178.246 176.870 0.023 0.000 1.106 409 L CA 0.403 55.259 54.840 0.027 0.000 0.851 409 L CB 0.046 42.103 42.059 -0.004 0.000 0.994 409 L HN 0.075 nan 8.230 nan 0.000 0.462 410 G N 0.978 109.857 108.800 0.133 0.000 2.182 410 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.248 410 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.248 410 G C -0.047 174.935 174.900 0.136 0.000 1.042 410 G CA -0.040 45.108 45.100 0.081 0.000 0.775 410 G HN 0.085 nan 8.290 nan 0.000 0.501 411 V N 1.548 121.553 119.914 0.153 0.000 2.406 411 V HA 0.463 4.582 4.120 -0.001 0.000 0.272 411 V C 1.194 177.377 176.094 0.149 0.000 1.043 411 V CA -0.632 61.721 62.300 0.089 0.000 0.915 411 V CB 1.400 33.219 31.823 -0.005 0.000 0.988 411 V HN 0.369 nan 8.190 nan 0.000 0.466 412 L N 5.151 126.463 121.223 0.149 0.000 2.426 412 L HA 0.422 4.761 4.340 -0.001 0.000 0.271 412 L C 0.700 177.622 176.870 0.086 0.000 1.169 412 L CA 0.091 55.017 54.840 0.143 0.000 0.836 412 L CB 0.945 43.070 42.059 0.111 0.000 1.112 412 L HN 0.801 nan 8.230 nan 0.000 0.465 413 T N 0.486 115.104 114.554 0.107 0.000 2.856 413 T HA 0.655 5.005 4.350 -0.001 0.000 0.283 413 T C -0.315 174.466 174.700 0.134 0.000 1.008 413 T CA -0.838 61.347 62.100 0.143 0.000 0.997 413 T CB 1.675 70.699 68.868 0.261 0.000 0.992 413 T HN 0.495 nan 8.240 nan 0.000 0.454 414 M N 3.871 123.543 119.600 0.119 0.000 2.634 414 M HA 0.307 4.786 4.480 -0.001 0.000 0.211 414 M C -2.534 173.785 176.300 0.032 0.000 1.019 414 M CA -1.949 53.405 55.300 0.090 0.000 0.834 414 M CB 1.442 34.096 32.600 0.090 0.000 1.376 414 M HN 0.479 nan 8.290 nan 0.000 0.465 415 P HA 0.620 nan 4.420 nan 0.000 0.274 415 P C -0.010 176.813 177.300 -0.794 0.000 1.256 415 P CA 0.167 63.128 63.100 -0.231 0.000 0.795 415 P CB 1.507 33.141 31.700 -0.110 0.000 1.038 416 G N -0.937 107.216 108.800 -1.078 0.000 2.322 416 G HA2 0.311 4.271 3.960 -0.001 0.000 0.295 416 G HA3 0.311 4.271 3.960 -0.001 0.000 0.295 416 G C -2.042 172.309 174.900 -0.916 0.000 1.369 416 G CA -0.983 43.208 45.100 -1.516 0.000 0.821 416 G HN 0.401 nan 8.290 nan 0.000 0.536 417 W N 0.938 121.909 121.300 -0.549 0.000 2.283 417 W HA 0.524 5.184 4.660 -0.001 0.000 0.341 417 W C 1.000 177.320 176.519 -0.333 0.000 1.206 417 W CA -0.628 56.375 57.345 -0.570 0.000 1.294 417 W CB 0.932 30.071 29.460 -0.536 0.000 1.154 417 W HN 0.698 nan 8.180 nan 0.000 0.613 418 E N 1.009 121.171 120.200 -0.064 0.000 2.250 418 E HA 0.415 4.765 4.350 -0.001 0.000 0.269 418 E C 0.129 176.804 176.600 0.125 0.000 1.018 418 E CA -0.908 55.508 56.400 0.027 0.000 0.873 418 E CB 1.150 30.810 29.700 -0.066 0.000 1.134 418 E HN 0.561 nan 8.360 nan 0.000 0.403 419 C N 0.161 119.548 119.300 0.146 0.000 2.560 419 C HA 0.397 4.856 4.460 -0.001 0.000 0.334 419 C C 1.064 176.145 174.990 0.151 0.000 1.404 419 C CA 0.010 59.135 59.018 0.177 0.000 2.410 419 C CB -0.500 27.339 27.740 0.164 0.000 2.268 419 C HN 1.055 nan 8.230 nan 0.000 0.673 420 C N 1.393 120.787 119.300 0.157 0.000 4.417 420 C HA -0.037 4.422 4.460 -0.001 0.000 0.284 420 C C -0.037 174.998 174.990 0.074 0.000 1.379 420 C CA 1.351 60.433 59.018 0.106 0.000 1.918 420 C CB -3.617 24.180 27.740 0.094 0.000 1.280 420 C HN 1.224 nan 8.230 nan 0.000 0.783 421 D N -1.899 118.562 120.400 0.101 0.000 3.309 421 D HA 0.389 5.029 4.640 -0.001 0.000 0.335 421 D C 0.563 176.916 176.300 0.088 0.000 1.393 421 D CA -0.119 53.924 54.000 0.071 0.000 0.963 421 D CB -0.061 40.770 40.800 0.051 0.000 1.431 421 D HN -0.162 nan 8.370 nan 0.000 0.583 422 K N -0.386 120.018 120.400 0.007 0.000 2.089 422 K HA -0.095 4.224 4.320 -0.001 0.000 0.210 422 K C 1.734 178.363 176.600 0.049 0.000 1.048 422 K CA 1.916 58.153 56.287 -0.083 0.000 0.926 422 K CB -0.691 31.609 32.500 -0.333 0.000 0.714 422 K HN 0.533 nan 8.250 nan 0.000 0.448 423 W N 0.989 122.345 121.300 0.093 0.000 2.325 423 W HA -0.118 4.541 4.660 -0.001 0.000 0.299 423 W C 1.473 178.148 176.519 0.260 0.000 1.215 423 W CA 1.470 58.920 57.345 0.176 0.000 1.244 423 W CB -0.023 29.461 29.460 0.041 0.000 1.140 423 W HN 0.214 nan 8.180 nan 0.000 0.523 424 E N -0.857 119.553 120.200 0.350 0.000 2.501 424 E HA 0.102 4.451 4.350 -0.001 0.000 0.200 424 E C 2.149 178.759 176.600 0.016 0.000 1.016 424 E CA 0.137 56.644 56.400 0.178 0.000 0.921 424 E CB 0.161 29.990 29.700 0.215 0.000 1.034 424 E HN 0.263 nan 8.360 nan 0.000 0.468 425 G N 1.363 110.220 108.800 0.095 0.000 2.470 425 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.220 425 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.220 425 G C 1.576 176.425 174.900 -0.086 0.000 1.121 425 G CA 0.557 45.677 45.100 0.032 0.000 0.766 425 G HN 0.132 nan 8.290 nan 0.000 0.553 426 Q N 0.252 119.883 119.800 -0.281 0.000 2.331 426 Q HA 0.062 4.402 4.340 -0.001 0.000 0.203 426 Q C 2.210 178.027 176.000 -0.306 0.000 0.944 426 Q CA 1.345 56.918 55.803 -0.384 0.000 0.892 426 Q CB 0.142 28.367 28.738 -0.855 0.000 0.983 426 Q HN 0.434 nan 8.270 nan 0.000 0.482 427 V N -2.501 117.228 119.914 -0.309 0.000 3.604 427 V HA 0.216 4.336 4.120 -0.001 0.000 0.277 427 V C 1.028 176.775 176.094 -0.578 0.000 1.399 427 V CA 0.666 62.787 62.300 -0.298 0.000 1.034 427 V CB -0.714 31.015 31.823 -0.157 0.000 0.824 427 V HN 0.498 nan 8.190 nan 0.000 0.439 428 N N 0.626 118.937 118.700 -0.649 0.000 2.270 428 N HA 0.415 5.155 4.740 -0.001 0.000 0.198 428 N C 1.232 176.348 175.510 -0.657 0.000 1.117 428 N CA 0.556 52.926 53.050 -1.134 0.000 0.845 428 N CB 0.839 38.947 38.487 -0.632 0.000 0.980 428 N HN 0.633 nan 8.380 nan 0.000 0.486 429 G N 2.512 111.075 108.800 -0.394 0.000 2.543 429 G HA2 -0.427 3.532 3.960 -0.001 0.000 0.286 429 G HA3 -0.427 3.532 3.960 -0.001 0.000 0.286 429 G C 0.455 175.273 174.900 -0.136 0.000 1.153 429 G CA 0.695 45.663 45.100 -0.220 0.000 0.968 429 G HN 0.440 nan 8.290 nan 0.000 0.544 430 E N 1.748 121.893 120.200 -0.092 0.000 2.427 430 E HA 0.327 4.676 4.350 -0.001 0.000 0.196 430 E C 1.127 177.699 176.600 -0.046 0.000 1.028 430 E CA 0.945 57.314 56.400 -0.053 0.000 0.864 430 E CB -0.003 29.679 29.700 -0.030 0.000 0.813 430 E HN 0.699 nan 8.360 nan 0.000 0.514 431 E N 2.136 122.300 120.200 -0.059 0.000 2.415 431 E HA -0.041 4.309 4.350 -0.001 0.000 0.262 431 E C -0.203 176.382 176.600 -0.026 0.000 1.038 431 E CA -0.146 56.238 56.400 -0.027 0.000 0.921 431 E CB 0.530 30.231 29.700 0.002 0.000 0.950 431 E HN -0.139 nan 8.360 nan 0.000 0.438 432 K N 1.930 122.329 120.400 -0.001 0.000 2.518 432 K HA 0.327 4.647 4.320 -0.001 0.000 0.276 432 K C 0.082 176.685 176.600 0.004 0.000 0.974 432 K CA 1.108 57.396 56.287 0.002 0.000 0.986 432 K CB 0.060 32.569 32.500 0.014 0.000 0.901 432 K HN 0.811 nan 8.250 nan 0.000 0.497 433 G N 2.083 110.882 108.800 -0.002 0.000 3.187 433 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.682 433 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.682 433 G C -1.141 173.760 174.900 0.001 0.000 1.266 433 G CA -0.918 44.186 45.100 0.006 0.000 0.902 433 G HN 0.514 nan 8.290 nan 0.000 0.589 434 E N 3.755 123.954 120.200 -0.000 0.000 2.313 434 E HA 0.380 4.729 4.350 -0.001 0.000 0.276 434 E C -1.844 174.801 176.600 0.074 0.000 1.031 434 E CA -1.571 54.833 56.400 0.005 0.000 0.857 434 E CB 1.359 31.041 29.700 -0.030 0.000 1.040 434 E HN 0.350 nan 8.360 nan 0.000 0.408 435 P HA -0.133 nan 4.420 nan 0.000 0.264 435 P C -0.860 176.557 177.300 0.195 0.000 1.179 435 P CA 0.261 63.415 63.100 0.090 0.000 0.763 435 P CB 0.353 32.073 31.700 0.032 0.000 0.806 436 W N 2.626 123.841 121.300 -0.142 0.000 2.218 436 W HA 0.273 4.932 4.660 -0.001 0.000 0.326 436 W C 0.486 176.966 176.519 -0.065 0.000 1.276 436 W CA -0.262 56.963 57.345 -0.199 0.000 1.210 436 W CB -0.126 29.075 29.460 -0.432 0.000 1.143 436 W HN 0.153 nan 8.180 nan 0.000 0.563 437 V N 0.339 120.313 119.914 0.100 0.000 3.211 437 V HA 0.426 4.546 4.120 -0.001 0.000 0.319 437 V C 1.075 177.292 176.094 0.206 0.000 1.096 437 V CA -0.654 61.718 62.300 0.120 0.000 1.029 437 V CB 1.451 33.286 31.823 0.020 0.000 1.137 437 V HN 0.551 nan 8.190 nan 0.000 0.453 438 E N 1.366 121.676 120.200 0.184 0.000 2.097 438 E HA -0.179 4.170 4.350 -0.001 0.000 0.196 438 E C 2.326 179.022 176.600 0.160 0.000 1.000 438 E CA 2.055 58.579 56.400 0.207 0.000 0.804 438 E CB -0.494 29.244 29.700 0.062 0.000 0.740 438 E HN 1.026 nan 8.360 nan 0.000 0.454 439 S N 0.862 116.578 115.700 0.026 0.000 2.469 439 S HA -0.135 4.335 4.470 -0.001 0.000 0.238 439 S C 1.382 175.898 174.600 -0.141 0.000 0.998 439 S CA 1.062 59.231 58.200 -0.051 0.000 0.957 439 S CB -0.033 63.114 63.200 -0.088 0.000 0.764 439 S HN 0.051 nan 8.310 nan 0.000 0.514 440 D N 0.780 121.041 120.400 -0.232 0.000 2.149 440 D HA -0.011 4.628 4.640 -0.001 0.000 0.201 440 D C 1.498 177.447 176.300 -0.586 0.000 0.972 440 D CA 1.014 54.656 54.000 -0.596 0.000 0.835 440 D CB -0.454 39.739 40.800 -1.011 0.000 0.966 440 D HN 0.529 nan 8.370 nan 0.000 0.476 441 Y N 0.525 120.709 120.300 -0.193 0.000 2.165 441 Y HA -0.109 4.440 4.550 -0.001 0.000 0.286 441 Y C -0.427 175.429 175.900 -0.073 0.000 1.155 441 Y CA 1.160 59.248 58.100 -0.020 0.000 1.164 441 Y CB -1.412 37.094 38.460 0.077 0.000 0.978 441 Y HN 0.176 nan 8.280 nan 0.000 0.513 442 P HA -0.087 nan 4.420 nan 0.000 0.218 442 P C 1.349 178.621 177.300 -0.048 0.000 1.152 442 P CA 1.414 64.515 63.100 0.001 0.000 0.826 442 P CB 0.008 31.700 31.700 -0.013 0.000 0.790 443 I N -0.317 120.173 120.570 -0.133 0.000 2.179 443 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 443 I C 2.337 178.364 176.117 -0.150 0.000 1.088 443 I CA 1.617 62.818 61.300 -0.165 0.000 1.357 443 I CB -0.958 36.876 38.000 -0.277 0.000 1.051 443 I HN -0.089 nan 8.210 nan 0.000 0.409 444 A N 0.767 123.433 122.820 -0.258 0.000 1.877 444 A HA -0.272 4.047 4.320 -0.001 0.000 0.216 444 A C 2.423 180.140 177.584 0.223 0.000 1.186 444 A CA 2.066 54.042 52.037 -0.101 0.000 0.620 444 A CB -0.587 18.311 19.000 -0.170 0.000 0.822 444 A HN 0.367 nan 8.150 nan 0.000 0.443 445 K N -0.414 120.068 120.400 0.138 0.000 2.026 445 K HA -0.082 4.237 4.320 -0.001 0.000 0.208 445 K C 2.162 178.885 176.600 0.206 0.000 1.048 445 K CA 1.252 57.653 56.287 0.190 0.000 0.929 445 K CB -0.352 32.211 32.500 0.103 0.000 0.713 445 K HN 0.350 nan 8.250 nan 0.000 0.439 446 A N 0.606 123.498 122.820 0.120 0.000 1.972 446 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 446 A C 2.118 179.816 177.584 0.191 0.000 1.169 446 A CA 2.001 54.106 52.037 0.115 0.000 0.635 446 A CB -0.497 18.517 19.000 0.023 0.000 0.810 446 A HN 0.380 nan 8.150 nan 0.000 0.446 447 S N -0.928 114.902 115.700 0.218 0.000 2.368 447 S HA -0.176 4.294 4.470 -0.001 0.000 0.224 447 S C 1.977 176.801 174.600 0.373 0.000 1.029 447 S CA 1.801 60.188 58.200 0.311 0.000 0.988 447 S CB -0.339 63.071 63.200 0.350 0.000 0.838 447 S HN 0.589 nan 8.310 nan 0.000 0.462 448 M N 1.043 120.898 119.600 0.426 0.000 2.086 448 M HA -0.029 4.451 4.480 -0.001 0.000 0.261 448 M C 1.717 178.007 176.300 -0.016 0.000 1.067 448 M CA 1.424 56.852 55.300 0.214 0.000 1.116 448 M CB -0.654 32.140 32.600 0.324 0.000 1.348 448 M HN 0.312 nan 8.290 nan 0.000 0.407 449 F N -0.133 119.811 119.950 -0.011 0.000 2.095 449 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 449 F C 2.210 177.952 175.800 -0.097 0.000 1.104 449 F CA 2.178 60.136 58.000 -0.070 0.000 1.232 449 F CB -0.729 38.250 39.000 -0.036 0.000 0.987 449 F HN 0.155 nan 8.300 nan 0.000 0.475 450 S N 0.081 115.808 115.700 0.045 0.000 2.368 450 S HA -0.174 4.295 4.470 -0.001 0.000 0.225 450 S C 1.862 176.372 174.600 -0.149 0.000 1.030 450 S CA 1.341 59.514 58.200 -0.045 0.000 0.999 450 S CB -0.351 62.892 63.200 0.073 0.000 0.844 450 S HN 0.419 nan 8.310 nan 0.000 0.459 451 E N 1.382 121.502 120.200 -0.133 0.000 2.106 451 E HA 0.006 4.355 4.350 -0.001 0.000 0.192 451 E C 2.290 178.622 176.600 -0.446 0.000 0.984 451 E CA 0.973 57.225 56.400 -0.247 0.000 0.806 451 E CB -0.425 29.090 29.700 -0.309 0.000 0.750 451 E HN 0.480 nan 8.360 nan 0.000 0.458 452 A N 1.261 123.714 122.820 -0.612 0.000 1.969 452 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 452 A C 2.086 179.445 177.584 -0.375 0.000 1.169 452 A CA 1.597 53.207 52.037 -0.712 0.000 0.635 452 A CB -0.354 18.198 19.000 -0.746 0.000 0.810 452 A HN 0.286 nan 8.150 nan 0.000 0.445 453 E N -0.317 119.587 120.200 -0.494 0.000 2.112 453 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 453 E C 2.183 178.637 176.600 -0.244 0.000 0.979 453 E CA 0.499 56.624 56.400 -0.458 0.000 0.814 453 E CB -0.120 29.187 29.700 -0.654 0.000 0.762 453 E HN 0.546 nan 8.360 nan 0.000 0.460 454 R N -0.038 120.345 120.500 -0.194 0.000 2.092 454 R HA -0.059 4.280 4.340 -0.001 0.000 0.231 454 R C 2.316 178.594 176.300 -0.037 0.000 1.119 454 R CA 1.141 57.186 56.100 -0.092 0.000 0.970 454 R CB -0.055 30.193 30.300 -0.086 0.000 0.864 454 R HN 0.287 nan 8.270 nan 0.000 0.440 455 L N 0.291 121.471 121.223 -0.072 0.000 2.513 455 L HA 0.079 4.419 4.340 -0.001 0.000 0.222 455 L C 2.357 179.285 176.870 0.097 0.000 1.096 455 L CA 0.094 54.931 54.840 -0.005 0.000 0.857 455 L CB -0.142 41.873 42.059 -0.074 0.000 1.026 455 L HN 0.119 nan 8.230 nan 0.000 0.469 456 R N -0.300 120.248 120.500 0.080 0.000 2.159 456 R HA -0.143 4.197 4.340 -0.001 0.000 0.237 456 R C 0.344 176.576 176.300 -0.113 0.000 1.131 456 R CA 1.598 57.684 56.100 -0.023 0.000 0.982 456 R CB -0.447 29.822 30.300 -0.051 0.000 0.868 456 R HN 0.213 nan 8.270 nan 0.000 0.453 457 D N 0.034 120.365 120.400 -0.116 0.000 2.363 457 D HA 0.088 4.728 4.640 -0.001 0.000 0.214 457 D C -0.422 175.723 176.300 -0.258 0.000 1.093 457 D CA 0.135 54.048 54.000 -0.144 0.000 0.837 457 D CB 0.122 40.860 40.800 -0.104 0.000 0.948 457 D HN 0.267 nan 8.370 nan 0.000 0.507 458 H N 1.255 120.262 119.070 -0.105 0.000 2.761 458 H HA 0.120 4.676 4.556 -0.001 0.000 0.284 458 H C -1.392 173.768 175.328 -0.279 0.000 1.105 458 H CA -1.481 54.481 56.048 -0.143 0.000 1.352 458 H CB 1.562 31.285 29.762 -0.064 0.000 1.423 458 H HN -0.030 nan 8.280 nan 0.000 0.464 459 P HA -0.160 nan 4.420 nan 0.000 0.221 459 P C 1.465 178.216 177.300 -0.914 0.000 1.145 459 P CA 0.973 63.570 63.100 -0.838 0.000 0.795 459 P CB 0.314 31.048 31.700 -1.611 0.000 0.775 460 S N -0.731 114.622 115.700 -0.578 0.000 2.383 460 S HA -0.047 4.423 4.470 -0.001 0.000 0.227 460 S C 1.132 175.717 174.600 -0.025 0.000 1.026 460 S CA 0.309 58.384 58.200 -0.208 0.000 0.981 460 S CB -1.624 61.601 63.200 0.041 0.000 0.818 460 S HN -0.060 nan 8.310 nan 0.000 0.472 461 V N 4.014 123.937 119.914 0.015 0.000 2.509 461 V HA 0.068 4.188 4.120 -0.001 0.000 0.297 461 V C 1.303 177.416 176.094 0.032 0.000 1.014 461 V CA 0.524 62.869 62.300 0.076 0.000 1.127 461 V CB -0.095 31.778 31.823 0.085 0.000 0.925 461 V HN 0.642 nan 8.190 nan 0.000 0.480 462 I N 1.956 122.580 120.570 0.089 0.000 4.181 462 I HA 0.399 4.568 4.170 -0.001 0.000 0.331 462 I C 0.640 176.892 176.117 0.224 0.000 1.312 462 I CA 0.174 61.553 61.300 0.131 0.000 1.146 462 I CB 0.561 38.635 38.000 0.123 0.000 1.074 462 I HN 0.669 nan 8.210 nan 0.000 0.402 463 S N -0.058 115.770 115.700 0.213 0.000 2.627 463 S HA 0.536 5.006 4.470 -0.001 0.000 0.268 463 S C -1.490 173.271 174.600 0.268 0.000 1.130 463 S CA -0.740 57.596 58.200 0.226 0.000 0.819 463 S CB 1.634 64.974 63.200 0.233 0.000 1.100 463 S HN 0.207 nan 8.310 nan 0.000 0.465 464 F N 1.599 121.598 119.950 0.081 0.000 2.518 464 F HA 0.495 5.021 4.527 -0.001 0.000 0.323 464 F C -0.170 175.522 175.800 -0.180 0.000 1.129 464 F CA -0.409 57.539 58.000 -0.087 0.000 0.920 464 F CB 1.496 40.336 39.000 -0.266 0.000 1.160 464 F HN 0.774 nan 8.300 nan 0.000 0.440 465 H N 7.871 126.661 119.070 -0.466 0.000 2.782 465 H HA 0.229 4.785 4.556 -0.001 0.000 0.285 465 H C 1.189 176.364 175.328 -0.255 0.000 1.093 465 H CA 0.318 56.200 56.048 -0.276 0.000 1.410 465 H CB 1.207 30.797 29.762 -0.286 0.000 1.439 465 H HN 0.795 nan 8.280 nan 0.000 0.469 466 I N 0.740 121.347 120.570 0.062 0.000 3.428 466 I HA 0.259 4.428 4.170 -0.001 0.000 0.286 466 I C 0.925 177.213 176.117 0.285 0.000 1.287 466 I CA 0.102 61.473 61.300 0.118 0.000 1.396 466 I CB 0.496 38.595 38.000 0.165 0.000 1.062 466 I HN 0.288 nan 8.210 nan 0.000 0.471 467 G N -0.420 108.519 108.800 0.233 0.000 2.672 467 G HA2 0.490 4.450 3.960 -0.001 0.000 0.292 467 G HA3 0.490 4.450 3.960 -0.001 0.000 0.292 467 G C -0.581 174.438 174.900 0.200 0.000 1.375 467 G CA 0.098 45.352 45.100 0.256 0.000 0.890 467 G HN -0.022 nan 8.290 nan 0.000 0.476 468 S N -1.108 114.690 115.700 0.164 0.000 3.226 468 S HA 0.139 4.608 4.470 -0.001 0.000 0.195 468 S C 1.311 175.931 174.600 0.033 0.000 0.793 468 S CA 0.927 59.167 58.200 0.067 0.000 0.816 468 S CB 0.049 63.289 63.200 0.067 0.000 0.847 468 S HN 0.436 nan 8.310 nan 0.000 0.630 469 D N 0.335 120.769 120.400 0.056 0.000 2.149 469 D HA 0.230 4.869 4.640 -0.001 0.000 0.206 469 D C -0.245 175.906 176.300 -0.249 0.000 0.967 469 D CA 0.851 54.797 54.000 -0.090 0.000 0.848 469 D CB 0.020 40.797 40.800 -0.038 0.000 0.998 469 D HN 0.300 nan 8.370 nan 0.000 0.474 470 F N 0.522 120.508 119.950 0.060 0.000 2.436 470 F HA 0.573 5.100 4.527 -0.001 0.000 0.340 470 F C 0.589 176.437 175.800 0.080 0.000 1.113 470 F CA -1.418 56.615 58.000 0.056 0.000 1.022 470 F CB 1.323 40.344 39.000 0.035 0.000 1.128 470 F HN -0.217 nan 8.300 nan 0.000 0.466 471 A N 4.815 127.763 122.820 0.214 0.000 2.425 471 A HA 0.459 4.778 4.320 -0.001 0.000 0.242 471 A C -2.262 175.432 177.584 0.183 0.000 1.077 471 A CA -1.217 50.926 52.037 0.178 0.000 0.781 471 A CB -0.487 18.586 19.000 0.122 0.000 1.020 471 A HN 0.452 nan 8.150 nan 0.000 0.494 472 P HA 0.164 nan 4.420 nan 0.000 0.272 472 P C -0.702 176.629 177.300 0.051 0.000 1.230 472 P CA -0.233 62.938 63.100 0.117 0.000 0.788 472 P CB 0.460 32.287 31.700 0.211 0.000 0.949 473 D N 0.439 120.821 120.400 -0.030 0.000 2.380 473 D HA 0.031 4.671 4.640 -0.001 0.000 0.254 473 D C 1.442 177.735 176.300 -0.010 0.000 1.288 473 D CA -0.302 53.682 54.000 -0.027 0.000 1.008 473 D CB 0.355 41.114 40.800 -0.068 0.000 1.099 473 D HN 0.311 nan 8.370 nan 0.000 0.537 474 R N -0.594 119.901 120.500 -0.009 0.000 2.073 474 R HA -0.157 4.182 4.340 -0.001 0.000 0.234 474 R C 2.382 178.676 176.300 -0.011 0.000 1.134 474 R CA 1.412 57.511 56.100 -0.002 0.000 0.952 474 R CB -0.172 30.124 30.300 -0.007 0.000 0.850 474 R HN 0.552 nan 8.270 nan 0.000 0.433 475 R N 0.455 120.941 120.500 -0.023 0.000 2.080 475 R HA -0.127 4.213 4.340 -0.001 0.000 0.236 475 R C 2.267 178.566 176.300 -0.002 0.000 1.137 475 R CA 2.066 58.151 56.100 -0.024 0.000 0.943 475 R CB -0.345 29.923 30.300 -0.053 0.000 0.846 475 R HN 0.313 nan 8.270 nan 0.000 0.431 476 I N 0.490 121.045 120.570 -0.025 0.000 2.226 476 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 476 I C 2.560 178.540 176.117 -0.228 0.000 1.100 476 I CA 1.482 62.680 61.300 -0.171 0.000 1.374 476 I CB -0.434 37.357 38.000 -0.347 0.000 1.057 476 I HN 0.422 nan 8.210 nan 0.000 0.413 477 E N 0.859 121.041 120.200 -0.029 0.000 2.051 477 E HA -0.328 4.022 4.350 -0.001 0.000 0.192 477 E C 2.194 178.842 176.600 0.080 0.000 0.991 477 E CA 1.484 57.946 56.400 0.102 0.000 0.799 477 E CB 0.006 29.772 29.700 0.110 0.000 0.748 477 E HN 0.302 nan 8.360 nan 0.000 0.449 478 Q N 0.040 119.859 119.800 0.031 0.000 2.135 478 Q HA -0.110 4.230 4.340 -0.001 0.000 0.204 478 Q C 1.955 177.976 176.000 0.036 0.000 0.981 478 Q CA 2.051 57.875 55.803 0.034 0.000 0.856 478 Q CB -0.756 27.990 28.738 0.013 0.000 0.902 478 Q HN 0.379 nan 8.270 nan 0.000 0.425 479 G N -1.129 107.666 108.800 -0.009 0.000 2.422 479 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.218 479 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.218 479 G C 0.842 175.788 174.900 0.076 0.000 1.146 479 G CA 1.011 46.107 45.100 -0.006 0.000 0.769 479 G HN 0.372 nan 8.290 nan 0.000 0.547 480 Y N 0.672 121.061 120.300 0.148 0.000 2.163 480 Y HA 0.083 4.633 4.550 -0.001 0.000 0.288 480 Y C 2.851 178.784 175.900 0.055 0.000 1.136 480 Y CA 0.284 58.458 58.100 0.125 0.000 1.147 480 Y CB -0.878 37.687 38.460 0.175 0.000 0.987 480 Y HN 0.059 nan 8.280 nan 0.000 0.509 481 L N -0.315 121.038 121.223 0.217 0.000 2.042 481 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 481 L C 2.001 178.934 176.870 0.105 0.000 1.076 481 L CA 1.589 56.507 54.840 0.130 0.000 0.749 481 L CB -0.615 41.505 42.059 0.102 0.000 0.893 481 L HN 0.167 nan 8.230 nan 0.000 0.432 482 D N 0.308 120.768 120.400 0.099 0.000 2.117 482 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 482 D C 2.256 178.623 176.300 0.111 0.000 0.987 482 D CA 1.538 55.588 54.000 0.083 0.000 0.829 482 D CB -0.116 40.720 40.800 0.060 0.000 0.961 482 D HN 0.322 nan 8.370 nan 0.000 0.460 483 A N 0.840 123.747 122.820 0.144 0.000 1.883 483 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 483 A C 2.309 179.985 177.584 0.154 0.000 1.186 483 A CA 1.582 53.739 52.037 0.201 0.000 0.624 483 A CB -0.627 18.512 19.000 0.232 0.000 0.822 483 A HN 0.145 nan 8.150 nan 0.000 0.444 484 M N -0.896 118.737 119.600 0.055 0.000 2.117 484 M HA -0.169 4.310 4.480 -0.001 0.000 0.262 484 M C 2.289 178.641 176.300 0.088 0.000 1.065 484 M CA 2.065 57.373 55.300 0.013 0.000 1.114 484 M CB -0.324 32.282 32.600 0.010 0.000 1.361 484 M HN 0.494 nan 8.290 nan 0.000 0.408 485 K N 0.688 121.144 120.400 0.094 0.000 2.032 485 K HA -0.175 4.144 4.320 -0.001 0.000 0.209 485 K C 1.841 178.499 176.600 0.097 0.000 1.048 485 K CA 1.702 58.039 56.287 0.084 0.000 0.927 485 K CB -0.127 32.415 32.500 0.070 0.000 0.712 485 K HN 0.311 nan 8.250 nan 0.000 0.441 486 A N 0.232 123.136 122.820 0.140 0.000 2.119 486 A HA 0.054 4.374 4.320 -0.001 0.000 0.217 486 A C 1.947 179.685 177.584 0.257 0.000 1.153 486 A CA 1.399 53.552 52.037 0.193 0.000 0.692 486 A CB -0.295 18.825 19.000 0.199 0.000 0.799 486 A HN 0.450 nan 8.150 nan 0.000 0.458 487 A N -1.233 121.665 122.820 0.130 0.000 2.308 487 A HA 0.312 4.631 4.320 -0.001 0.000 0.217 487 A C 0.457 177.942 177.584 -0.166 0.000 1.216 487 A CA 0.688 52.640 52.037 -0.142 0.000 0.864 487 A CB -0.044 18.696 19.000 -0.433 0.000 0.902 487 A HN 0.356 nan 8.150 nan 0.000 0.499 488 D N -2.045 118.344 120.400 -0.018 0.000 2.911 488 D HA -0.208 4.432 4.640 -0.001 0.000 0.227 488 D C -0.210 176.075 176.300 -0.025 0.000 1.164 488 D CA 0.848 54.849 54.000 0.002 0.000 0.782 488 D CB -1.854 38.994 40.800 0.081 0.000 1.094 488 D HN 0.532 nan 8.370 nan 0.000 0.425 489 F N 0.880 120.735 119.950 -0.157 0.000 2.494 489 F HA 0.209 4.735 4.527 -0.001 0.000 0.369 489 F C 1.149 176.887 175.800 -0.103 0.000 1.098 489 F CA -0.012 57.891 58.000 -0.161 0.000 1.154 489 F CB 0.265 39.132 39.000 -0.222 0.000 1.103 489 F HN -0.038 nan 8.300 nan 0.000 0.549 490 L N 6.787 127.735 121.223 -0.459 0.000 2.808 490 L HA 0.252 4.592 4.340 -0.001 0.000 0.246 490 L C 0.005 176.683 176.870 -0.321 0.000 1.153 490 L CA -0.180 54.500 54.840 -0.267 0.000 0.956 490 L CB -0.234 41.719 42.059 -0.177 0.000 1.270 490 L HN 0.477 nan 8.230 nan 0.000 0.528 491 L N 0.422 121.279 121.223 -0.609 0.000 2.456 491 L HA 0.291 4.630 4.340 -0.001 0.000 0.257 491 L C -1.877 174.925 176.870 -0.113 0.000 1.162 491 L CA -1.729 52.874 54.840 -0.396 0.000 0.808 491 L CB 0.043 41.749 42.059 -0.589 0.000 1.136 491 L HN -0.188 nan 8.230 nan 0.000 0.466 492 P HA 0.014 nan 4.420 nan 0.000 0.265 492 P C -1.049 176.270 177.300 0.033 0.000 1.193 492 P CA -0.020 63.060 63.100 -0.033 0.000 0.765 492 P CB 0.485 32.129 31.700 -0.093 0.000 0.823 493 V N 5.462 125.383 119.914 0.012 0.000 2.347 493 V HA 0.248 4.367 4.120 -0.001 0.000 0.280 493 V C 0.260 176.303 176.094 -0.086 0.000 1.021 493 V CA -0.518 61.797 62.300 0.024 0.000 0.847 493 V CB 0.937 32.799 31.823 0.064 0.000 0.990 493 V HN 0.354 nan 8.190 nan 0.000 0.444 494 I N 8.263 128.709 120.570 -0.206 0.000 2.315 494 I HA 0.335 4.504 4.170 -0.001 0.000 0.291 494 I C -1.256 174.729 176.117 -0.220 0.000 1.006 494 I CA -2.519 58.565 61.300 -0.361 0.000 1.265 494 I CB 1.578 39.045 38.000 -0.888 0.000 1.387 494 I HN 0.373 nan 8.210 nan 0.000 0.475 495 P HA 0.034 nan 4.420 nan 0.000 0.220 495 P C 0.230 177.579 177.300 0.080 0.000 1.152 495 P CA 0.931 64.045 63.100 0.023 0.000 0.812 495 P CB 0.897 32.615 31.700 0.030 0.000 0.792 496 A N -1.494 121.373 122.820 0.079 0.000 2.610 496 A HA 0.650 4.969 4.320 -0.001 0.000 0.291 496 A C 0.519 178.239 177.584 0.227 0.000 1.086 496 A CA 0.038 52.168 52.037 0.156 0.000 0.677 496 A CB 0.566 19.611 19.000 0.075 0.000 1.278 496 A HN -0.072 nan 8.150 nan 0.000 0.414 497 A N 0.145 123.061 122.820 0.160 0.000 2.132 497 A HA 0.422 4.741 4.320 -0.001 0.000 0.213 497 A C 1.428 179.017 177.584 0.008 0.000 1.154 497 A CA 1.423 53.494 52.037 0.057 0.000 0.753 497 A CB -0.677 18.211 19.000 -0.186 0.000 0.826 497 A HN 1.816 nan 8.150 nan 0.000 0.469 498 S N -1.099 114.590 115.700 -0.018 0.000 2.671 498 S HA 0.570 5.039 4.470 -0.001 0.000 0.272 498 S C 1.230 175.822 174.600 -0.014 0.000 1.174 498 S CA -0.007 58.167 58.200 -0.043 0.000 1.004 498 S CB 0.993 64.123 63.200 -0.117 0.000 1.077 498 S HN 0.794 nan 8.310 nan 0.000 0.553 499 A N -0.236 122.575 122.820 -0.015 0.000 2.209 499 A HA 0.144 4.463 4.320 -0.001 0.000 0.212 499 A C 1.104 178.690 177.584 0.003 0.000 1.158 499 A CA 0.149 52.193 52.037 0.011 0.000 0.742 499 A CB -0.590 18.430 19.000 0.032 0.000 0.790 499 A HN 0.717 nan 8.150 nan 0.000 0.472 500 R N 0.740 121.225 120.500 -0.024 0.000 2.491 500 R HA 0.295 4.634 4.340 -0.001 0.000 0.283 500 R C -2.577 173.733 176.300 0.018 0.000 1.072 500 R CA -1.327 54.765 56.100 -0.013 0.000 1.048 500 R CB 0.264 30.532 30.300 -0.052 0.000 0.983 500 R HN 0.246 nan 8.270 nan 0.000 0.450 501 P HA 0.163 nan 4.420 nan 0.000 0.285 501 P C -0.993 176.336 177.300 0.047 0.000 1.280 501 P CA -0.771 62.349 63.100 0.032 0.000 0.862 501 P CB 1.545 33.261 31.700 0.026 0.000 1.153 502 S N -0.407 115.321 115.700 0.046 0.000 2.690 502 S HA 0.528 4.998 4.470 -0.001 0.000 0.291 502 S C -1.982 172.644 174.600 0.042 0.000 1.138 502 S CA -1.416 56.819 58.200 0.057 0.000 1.013 502 S CB 0.829 64.072 63.200 0.073 0.000 1.053 502 S HN 0.184 nan 8.310 nan 0.000 0.539 503 P HA 0.125 nan 4.420 nan 0.000 0.221 503 P C 0.859 178.174 177.300 0.026 0.000 1.150 503 P CA 0.799 63.916 63.100 0.028 0.000 0.800 503 P CB -0.008 31.706 31.700 0.023 0.000 0.787 504 I N -1.942 118.648 120.570 0.033 0.000 2.726 504 I HA -0.062 4.108 4.170 -0.001 0.000 0.243 504 I C 1.934 178.067 176.117 0.026 0.000 1.082 504 I CA 1.047 62.364 61.300 0.030 0.000 1.447 504 I CB -1.262 36.759 38.000 0.036 0.000 1.250 504 I HN -0.209 nan 8.210 nan 0.000 0.453 505 T N 0.625 115.199 114.554 0.033 0.000 2.833 505 T HA 0.087 4.437 4.350 -0.001 0.000 0.269 505 T C 1.119 175.824 174.700 0.008 0.000 1.054 505 T CA 1.187 63.300 62.100 0.020 0.000 1.135 505 T CB -0.465 68.417 68.868 0.024 0.000 0.869 505 T HN 0.703 nan 8.240 nan 0.000 0.466 506 G N 1.085 109.894 108.800 0.015 0.000 2.513 506 G HA2 0.108 4.068 3.960 -0.001 0.000 0.227 506 G HA3 0.108 4.068 3.960 -0.001 0.000 0.227 506 G C -0.020 174.885 174.900 0.007 0.000 1.176 506 G CA -0.304 44.802 45.100 0.011 0.000 0.967 506 G HN 0.867 nan 8.290 nan 0.000 0.587 507 A N -0.014 122.807 122.820 0.002 0.000 2.425 507 A HA 0.651 4.970 4.320 -0.001 0.000 0.249 507 A C 1.761 179.336 177.584 -0.015 0.000 1.084 507 A CA 1.401 53.439 52.037 0.002 0.000 0.781 507 A CB 0.572 19.577 19.000 0.007 0.000 1.019 507 A HN 2.318 nan 8.150 nan 0.000 0.490 508 S N 1.896 117.589 115.700 -0.011 0.000 2.395 508 S HA 0.279 4.748 4.470 -0.001 0.000 0.225 508 S C 1.542 176.109 174.600 -0.055 0.000 1.027 508 S CA 1.138 59.317 58.200 -0.036 0.000 0.965 508 S CB -0.522 62.675 63.200 -0.006 0.000 0.812 508 S HN 2.602 nan 8.310 nan 0.000 0.482 509 G N 1.046 109.841 108.800 -0.010 0.000 2.159 509 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.256 509 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.256 509 G C -0.030 174.901 174.900 0.051 0.000 0.977 509 G CA 0.673 45.782 45.100 0.014 0.000 0.652 509 G HN 0.548 nan 8.290 nan 0.000 0.531 510 M N -0.797 118.827 119.600 0.041 0.000 2.761 510 M HA 0.661 5.141 4.480 -0.001 0.000 0.305 510 M C -0.047 176.293 176.300 0.066 0.000 1.235 510 M CA -0.915 54.440 55.300 0.092 0.000 0.850 510 M CB 2.353 34.987 32.600 0.057 0.000 1.744 510 M HN 0.263 nan 8.290 nan 0.000 0.480 511 K N 0.843 121.272 120.400 0.049 0.000 2.498 511 K HA 0.691 5.011 4.320 -0.001 0.000 0.254 511 K C -1.500 175.073 176.600 -0.047 0.000 0.933 511 K CA -0.755 55.515 56.287 -0.028 0.000 0.806 511 K CB 2.591 35.002 32.500 -0.149 0.000 1.301 511 K HN 0.826 nan 8.250 nan 0.000 0.432 512 M N 4.318 123.897 119.600 -0.035 0.000 2.353 512 M HA 0.290 4.770 4.480 -0.001 0.000 0.218 512 M C -1.180 175.153 176.300 0.055 0.000 1.044 512 M CA -0.371 54.917 55.300 -0.020 0.000 0.615 512 M CB 0.510 33.094 32.600 -0.025 0.000 1.531 512 M HN 0.723 nan 8.290 nan 0.000 0.378 513 N N 1.438 120.160 118.700 0.036 0.000 2.235 513 N HA 0.282 5.021 4.740 -0.001 0.000 0.209 513 N C 0.714 176.331 175.510 0.179 0.000 1.122 513 N CA 0.885 54.001 53.050 0.111 0.000 0.845 513 N CB 0.944 39.471 38.487 0.067 0.000 1.004 513 N HN 0.852 nan 8.380 nan 0.000 0.499 514 G N 1.688 110.576 108.800 0.146 0.000 2.750 514 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.228 514 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.228 514 G C -2.902 171.962 174.900 -0.060 0.000 1.367 514 G CA -0.770 44.339 45.100 0.015 0.000 0.871 514 G HN 0.134 nan 8.290 nan 0.000 0.560 515 P HA 0.531 nan 4.420 nan 0.000 0.281 515 P C -0.638 176.507 177.300 -0.258 0.000 1.281 515 P CA -0.165 62.876 63.100 -0.099 0.000 0.811 515 P CB 0.686 32.217 31.700 -0.281 0.000 1.154 516 Y N -2.237 118.206 120.300 0.237 0.000 2.728 516 Y HA 0.335 4.885 4.550 -0.001 0.000 0.256 516 Y C 0.455 176.615 175.900 0.433 0.000 1.112 516 Y CA -0.052 58.198 58.100 0.250 0.000 1.240 516 Y CB 0.929 39.549 38.460 0.266 0.000 1.337 516 Y HN 0.239 nan 8.280 nan 0.000 0.559 517 D N -1.880 118.829 120.400 0.515 0.000 2.759 517 D HA 0.084 4.724 4.640 -0.001 0.000 0.321 517 D C -1.334 175.161 176.300 0.326 0.000 1.267 517 D CA -0.842 53.446 54.000 0.480 0.000 0.933 517 D CB 1.214 42.365 40.800 0.585 0.000 1.431 517 D HN -0.167 nan 8.370 nan 0.000 0.504 518 Y N 1.395 121.841 120.300 0.245 0.000 2.802 518 Y HA 0.234 4.784 4.550 -0.001 0.000 0.333 518 Y C 0.016 175.992 175.900 0.127 0.000 1.244 518 Y CA 0.653 58.888 58.100 0.225 0.000 1.558 518 Y CB -0.008 38.605 38.460 0.255 0.000 1.233 518 Y HN 0.103 nan 8.280 nan 0.000 0.547 519 V N 5.801 125.287 119.914 -0.714 0.000 2.962 519 V HA 0.737 4.857 4.120 -0.001 0.000 0.313 519 V C -2.801 172.756 176.094 -0.895 0.000 1.099 519 V CA -2.700 59.165 62.300 -0.726 0.000 0.971 519 V CB 1.965 33.117 31.823 -1.119 0.000 1.028 519 V HN 0.622 nan 8.190 nan 0.000 0.430 520 P HA 0.403 nan 4.420 nan 0.000 0.278 520 P C -2.473 174.774 177.300 -0.090 0.000 1.258 520 P CA -1.813 61.203 63.100 -0.139 0.000 0.811 520 P CB 1.073 32.766 31.700 -0.013 0.000 1.063 521 P HA -0.161 nan 4.420 nan 0.000 0.216 521 P C 1.728 179.171 177.300 0.238 0.000 1.153 521 P CA 0.949 64.126 63.100 0.128 0.000 0.858 521 P CB -0.213 31.321 31.700 -0.276 0.000 0.789 522 V N -1.228 118.761 119.914 0.126 0.000 2.594 522 V HA -0.268 3.852 4.120 -0.001 0.000 0.253 522 V C 2.181 178.443 176.094 0.280 0.000 1.069 522 V CA 1.543 64.011 62.300 0.280 0.000 1.082 522 V CB -1.295 30.620 31.823 0.153 0.000 0.680 522 V HN 0.063 nan 8.190 nan 0.000 0.469 523 Y N -0.253 120.015 120.300 -0.053 0.000 2.181 523 Y HA -0.323 4.226 4.550 -0.001 0.000 0.284 523 Y C 1.888 177.744 175.900 -0.074 0.000 1.179 523 Y CA 2.408 60.416 58.100 -0.154 0.000 1.179 523 Y CB -0.411 37.741 38.460 -0.513 0.000 0.973 523 Y HN 0.449 nan 8.280 nan 0.000 0.519 524 W N -1.694 119.781 121.300 0.291 0.000 2.465 524 W HA -0.147 4.513 4.660 -0.001 0.000 0.268 524 W C 1.304 177.730 176.519 -0.155 0.000 1.242 524 W CA 0.612 58.003 57.345 0.077 0.000 1.248 524 W CB -0.523 28.944 29.460 0.013 0.000 1.118 524 W HN 0.080 nan 8.180 nan 0.000 0.587 525 Y N 0.092 120.539 120.300 0.246 0.000 2.490 525 Y HA 0.019 4.569 4.550 -0.001 0.000 0.281 525 Y C 0.678 176.625 175.900 0.077 0.000 1.174 525 Y CA 0.020 58.207 58.100 0.144 0.000 1.295 525 Y CB -0.604 37.938 38.460 0.136 0.000 1.062 525 Y HN -0.234 nan 8.280 nan 0.000 0.522 526 D N 0.566 121.045 120.400 0.132 0.000 2.390 526 D HA 0.069 4.708 4.640 -0.001 0.000 0.249 526 D C 0.522 176.863 176.300 0.068 0.000 1.144 526 D CA 0.351 54.376 54.000 0.040 0.000 0.880 526 D CB 0.763 41.508 40.800 -0.090 0.000 1.182 526 D HN 0.107 nan 8.370 nan 0.000 0.451 527 K N 1.550 121.925 120.400 -0.041 0.000 2.438 527 K HA 0.031 4.350 4.320 -0.001 0.000 0.206 527 K C 1.551 177.910 176.600 -0.401 0.000 1.081 527 K CA 0.104 56.270 56.287 -0.202 0.000 1.053 527 K CB 0.556 32.954 32.500 -0.170 0.000 0.908 527 K HN 0.444 nan 8.250 nan 0.000 0.556 528 S N 0.526 116.028 115.700 -0.329 0.000 2.395 528 S HA -0.015 4.455 4.470 -0.001 0.000 0.225 528 S C 0.863 175.195 174.600 -0.447 0.000 1.027 528 S CA 0.423 58.398 58.200 -0.376 0.000 0.965 528 S CB 0.093 63.094 63.200 -0.331 0.000 0.812 528 S HN 0.044 nan 8.310 nan 0.000 0.482 529 Q N 1.434 120.912 119.800 -0.536 0.000 2.390 529 Q HA 0.374 4.713 4.340 -0.001 0.000 0.249 529 Q C 0.109 176.013 176.000 -0.161 0.000 0.996 529 Q CA -0.046 55.462 55.803 -0.490 0.000 0.899 529 Q CB 1.429 29.633 28.738 -0.890 0.000 1.216 529 Q HN 0.513 nan 8.270 nan 0.000 0.465 530 K N 0.935 121.262 120.400 -0.122 0.000 2.365 530 K HA -0.056 4.263 4.320 -0.001 0.000 0.199 530 K C 0.079 176.837 176.600 0.262 0.000 1.045 530 K CA 0.740 57.049 56.287 0.036 0.000 0.962 530 K CB 0.548 32.991 32.500 -0.095 0.000 0.759 530 K HN 0.418 nan 8.250 nan 0.000 0.469 531 D N 0.307 120.790 120.400 0.137 0.000 2.363 531 D HA 0.046 4.686 4.640 -0.001 0.000 0.214 531 D C 0.452 176.841 176.300 0.150 0.000 1.093 531 D CA 0.237 54.321 54.000 0.141 0.000 0.837 531 D CB 0.503 41.362 40.800 0.098 0.000 0.948 531 D HN -0.048 nan 8.370 nan 0.000 0.507 532 R N -0.247 120.348 120.500 0.158 0.000 2.944 532 R HA 0.590 4.930 4.340 -0.001 0.000 0.233 532 R C 1.066 177.408 176.300 0.069 0.000 1.346 532 R CA -0.892 55.296 56.100 0.147 0.000 1.082 532 R CB 0.011 30.356 30.300 0.076 0.000 1.434 532 R HN -0.073 nan 8.270 nan 0.000 0.510 533 G N -0.404 108.465 108.800 0.115 0.000 3.820 533 G HA2 0.257 4.216 3.960 -0.001 0.000 0.293 533 G HA3 0.257 4.216 3.960 -0.001 0.000 0.293 533 G C 0.410 175.349 174.900 0.065 0.000 1.152 533 G CA -0.058 45.081 45.100 0.064 0.000 0.921 533 G HN 0.546 nan 8.290 nan 0.000 0.544 534 G N -0.357 108.367 108.800 -0.127 0.000 2.684 534 G HA2 0.442 4.402 3.960 -0.001 0.000 0.255 534 G HA3 0.442 4.402 3.960 -0.001 0.000 0.255 534 G C 0.639 175.402 174.900 -0.229 0.000 1.219 534 G CA 0.109 45.175 45.100 -0.056 0.000 0.901 534 G HN 0.617 nan 8.290 nan 0.000 0.548 535 A N 1.538 124.218 122.820 -0.233 0.000 2.981 535 A HA 0.497 4.816 4.320 -0.001 0.000 0.280 535 A C -0.109 177.372 177.584 -0.172 0.000 1.797 535 A CA -0.219 51.382 52.037 -0.726 0.000 1.456 535 A CB -1.144 17.429 19.000 -0.713 0.000 1.057 535 A HN 0.883 nan 8.150 nan 0.000 0.602 536 W N -0.445 120.746 121.300 -0.182 0.000 3.161 536 W HA 0.546 5.205 4.660 -0.001 0.000 0.314 536 W C -0.068 176.468 176.519 0.028 0.000 1.245 536 W CA -0.137 57.173 57.345 -0.059 0.000 1.191 536 W CB -0.110 29.314 29.460 -0.060 0.000 1.392 536 W HN 0.999 nan 8.180 nan 0.000 0.568 537 S N 0.418 116.312 115.700 0.323 0.000 3.245 537 S HA -0.302 4.167 4.470 -0.001 0.000 0.631 537 S C -0.843 173.854 174.600 0.162 0.000 2.821 537 S CA 1.157 59.495 58.200 0.230 0.000 3.266 537 S CB -1.317 62.001 63.200 0.197 0.000 0.314 537 S HN 0.993 nan 8.310 nan 0.000 1.621 538 F N 2.508 122.467 119.950 0.015 0.000 2.382 538 F HA 0.505 5.031 4.527 -0.001 0.000 0.361 538 F C 0.043 175.814 175.800 -0.049 0.000 1.109 538 F CA -0.802 57.218 58.000 0.034 0.000 1.031 538 F CB 0.812 39.870 39.000 0.097 0.000 1.234 538 F HN 0.478 nan 8.300 nan 0.000 0.445 539 N N 3.502 122.116 118.700 -0.144 0.000 2.605 539 N HA -0.014 4.725 4.740 -0.001 0.000 0.258 539 N C 0.998 176.441 175.510 -0.112 0.000 1.156 539 N CA 0.228 53.186 53.050 -0.154 0.000 1.008 539 N CB 0.999 39.341 38.487 -0.242 0.000 1.354 539 N HN 0.699 nan 8.380 nan 0.000 0.509 540 S N 1.113 116.872 115.700 0.098 0.000 2.547 540 S HA -0.098 4.372 4.470 -0.001 0.000 0.235 540 S C 0.071 174.576 174.600 -0.159 0.000 0.980 540 S CA 0.313 58.580 58.200 0.113 0.000 0.941 540 S CB -0.341 62.902 63.200 0.071 0.000 0.763 540 S HN 0.679 nan 8.310 nan 0.000 0.532 541 E N -1.299 118.710 120.200 -0.318 0.000 3.064 541 E HA 0.316 4.666 4.350 -0.001 0.000 0.362 541 E C -0.965 175.228 176.600 -0.679 0.000 1.042 541 E CA -0.434 55.613 56.400 -0.589 0.000 0.686 541 E CB -0.171 28.761 29.700 -1.280 0.000 1.368 541 E HN 0.027 nan 8.360 nan 0.000 0.437 542 T N 0.797 115.020 114.554 -0.552 0.000 2.932 542 T HA 0.763 5.113 4.350 -0.001 0.000 0.318 542 T C -1.368 173.016 174.700 -0.526 0.000 1.265 542 T CA 0.364 62.097 62.100 -0.612 0.000 1.036 542 T CB 1.881 70.550 68.868 -0.333 0.000 1.209 542 T HN 0.905 nan 8.240 nan 0.000 0.484 543 S N 1.639 117.099 115.700 -0.400 0.000 2.757 543 S HA 0.757 5.227 4.470 -0.001 0.000 0.285 543 S C 0.326 175.028 174.600 0.170 0.000 1.196 543 S CA -0.150 57.892 58.200 -0.263 0.000 0.856 543 S CB 0.913 63.624 63.200 -0.815 0.000 1.212 543 S HN 1.248 nan 8.310 nan 0.000 0.516 544 A N -0.302 122.695 122.820 0.294 0.000 2.423 544 A HA 0.742 5.061 4.320 -0.001 0.000 0.246 544 A C 1.448 179.253 177.584 0.368 0.000 1.278 544 A CA 0.807 53.030 52.037 0.310 0.000 0.903 544 A CB -1.326 17.865 19.000 0.319 0.000 0.997 544 A HN 2.472 nan 8.150 nan 0.000 0.510 545 G N -0.781 108.249 108.800 0.383 0.000 2.742 545 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.255 545 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.255 545 G C 0.202 175.268 174.900 0.278 0.000 1.322 545 G CA -0.230 45.131 45.100 0.434 0.000 0.967 545 G HN 0.854 nan 8.290 nan 0.000 0.556 546 V N 2.748 122.735 119.914 0.121 0.000 2.720 546 V HA 0.342 4.461 4.120 -0.001 0.000 0.307 546 V C -0.194 175.786 176.094 -0.190 0.000 1.071 546 V CA 1.295 63.477 62.300 -0.196 0.000 1.199 546 V CB 1.173 32.574 31.823 -0.702 0.000 0.900 546 V HN 0.569 nan 8.190 nan 0.000 0.494 547 D N 4.442 124.769 120.400 -0.121 0.000 2.363 547 D HA 0.255 4.895 4.640 -0.001 0.000 0.258 547 D C -0.342 175.922 176.300 -0.060 0.000 1.259 547 D CA -0.464 53.519 54.000 -0.028 0.000 0.921 547 D CB 1.165 42.021 40.800 0.093 0.000 1.201 547 D HN 0.230 nan 8.370 nan 0.000 0.524 548 I N 3.602 124.107 120.570 -0.109 0.000 2.752 548 I HA 0.029 4.198 4.170 -0.001 0.000 0.286 548 I C -1.676 174.451 176.117 0.016 0.000 1.180 548 I CA -1.456 59.828 61.300 -0.026 0.000 1.404 548 I CB -0.627 37.388 38.000 0.025 0.000 1.389 548 I HN -0.006 nan 8.210 nan 0.000 0.549 549 P HA 0.083 nan 4.420 nan 0.000 0.275 549 P C 0.050 177.374 177.300 0.039 0.000 1.270 549 P CA -0.266 62.848 63.100 0.023 0.000 0.791 549 P CB 0.062 31.768 31.700 0.010 0.000 1.089 550 T N -2.847 111.731 114.554 0.040 0.000 2.795 550 T HA 0.052 4.402 4.350 -0.001 0.000 0.314 550 T C 1.338 176.064 174.700 0.044 0.000 1.069 550 T CA -0.329 61.795 62.100 0.040 0.000 1.071 550 T CB -0.058 68.830 68.868 0.034 0.000 0.988 550 T HN 0.222 nan 8.240 nan 0.000 0.543 551 M N 0.991 120.613 119.600 0.036 0.000 2.149 551 M HA -0.055 4.425 4.480 -0.001 0.000 0.261 551 M C 1.376 177.691 176.300 0.025 0.000 1.064 551 M CA 1.719 57.037 55.300 0.030 0.000 1.102 551 M CB -1.293 31.315 32.600 0.013 0.000 1.369 551 M HN 0.822 nan 8.290 nan 0.000 0.408 552 D N -1.315 119.096 120.400 0.019 0.000 2.117 552 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 552 D C 1.766 178.078 176.300 0.021 0.000 0.987 552 D CA 1.994 55.997 54.000 0.004 0.000 0.829 552 D CB -0.317 40.478 40.800 -0.009 0.000 0.961 552 D HN 0.368 nan 8.370 nan 0.000 0.460 553 T N 0.473 115.071 114.554 0.074 0.000 2.737 553 T HA -0.076 4.273 4.350 -0.001 0.000 0.265 553 T C 2.043 176.814 174.700 0.118 0.000 1.038 553 T CA 0.540 62.741 62.100 0.167 0.000 1.144 553 T CB -0.383 68.604 68.868 0.199 0.000 0.866 553 T HN 0.086 nan 8.240 nan 0.000 0.434 554 L N 0.621 121.882 121.223 0.063 0.000 2.021 554 L HA -0.202 4.137 4.340 -0.001 0.000 0.215 554 L C 2.621 179.521 176.870 0.050 0.000 1.074 554 L CA 1.603 56.465 54.840 0.036 0.000 0.760 554 L CB -0.472 41.616 42.059 0.048 0.000 0.889 554 L HN 0.233 nan 8.230 nan 0.000 0.433 555 K N -0.507 119.924 120.400 0.052 0.000 2.362 555 K HA -0.111 4.208 4.320 -0.001 0.000 0.200 555 K C 2.087 178.727 176.600 0.067 0.000 1.046 555 K CA 0.835 57.154 56.287 0.054 0.000 0.952 555 K CB 0.017 32.529 32.500 0.020 0.000 0.753 555 K HN 0.356 nan 8.250 nan 0.000 0.466 556 R N 0.145 120.689 120.500 0.073 0.000 2.189 556 R HA 0.092 4.432 4.340 -0.001 0.000 0.203 556 R C 2.193 178.650 176.300 0.262 0.000 1.012 556 R CA 0.695 56.847 56.100 0.086 0.000 1.015 556 R CB 0.100 30.390 30.300 -0.017 0.000 0.938 556 R HN 0.245 nan 8.270 nan 0.000 0.472 557 M N -1.889 117.826 119.600 0.191 0.000 2.514 557 M HA 0.350 4.830 4.480 -0.001 0.000 0.258 557 M C 0.325 176.491 176.300 -0.224 0.000 1.159 557 M CA 0.789 56.087 55.300 -0.004 0.000 1.116 557 M CB 0.706 33.139 32.600 -0.277 0.000 1.333 557 M HN -0.147 nan 8.290 nan 0.000 0.487 558 M N 1.360 120.925 119.600 -0.058 0.000 2.572 558 M HA 0.428 4.908 4.480 -0.001 0.000 0.299 558 M C -0.364 175.970 176.300 0.058 0.000 1.205 558 M CA -0.778 54.417 55.300 -0.174 0.000 0.876 558 M CB 2.778 35.286 32.600 -0.153 0.000 1.728 558 M HN 0.257 nan 8.290 nan 0.000 0.458 559 S N 0.905 116.574 115.700 -0.051 0.000 2.632 559 S HA 0.560 5.030 4.470 -0.001 0.000 0.267 559 S C 1.052 175.698 174.600 0.076 0.000 1.276 559 S CA -0.155 58.114 58.200 0.115 0.000 0.998 559 S CB 1.312 64.544 63.200 0.053 0.000 0.953 559 S HN 0.800 nan 8.310 nan 0.000 0.547 560 A N 1.723 124.598 122.820 0.092 0.000 1.917 560 A HA -0.109 4.211 4.320 -0.001 0.000 0.219 560 A C 2.528 180.141 177.584 0.049 0.000 1.182 560 A CA 2.387 54.466 52.037 0.070 0.000 0.633 560 A CB -1.755 17.284 19.000 0.064 0.000 0.819 560 A HN 1.387 nan 8.150 nan 0.000 0.448 561 S N -0.371 115.345 115.700 0.028 0.000 2.383 561 S HA -0.179 4.291 4.470 -0.001 0.000 0.227 561 S C 1.718 176.303 174.600 -0.024 0.000 1.026 561 S CA 1.443 59.642 58.200 -0.001 0.000 0.981 561 S CB -0.457 62.738 63.200 -0.009 0.000 0.818 561 S HN 0.650 nan 8.310 nan 0.000 0.472 562 E N 1.135 121.320 120.200 -0.025 0.000 2.077 562 E HA -0.028 4.321 4.350 -0.001 0.000 0.193 562 E C 2.124 178.706 176.600 -0.030 0.000 0.989 562 E CA 1.446 57.820 56.400 -0.043 0.000 0.800 562 E CB -0.360 29.302 29.700 -0.065 0.000 0.746 562 E HN 0.517 nan 8.360 nan 0.000 0.452 563 L N 0.733 121.962 121.223 0.010 0.000 2.046 563 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 563 L C 2.221 179.155 176.870 0.106 0.000 1.077 563 L CA 1.131 56.010 54.840 0.064 0.000 0.747 563 L CB -0.303 41.813 42.059 0.095 0.000 0.896 563 L HN 0.112 nan 8.230 nan 0.000 0.432 564 D N -0.491 119.952 120.400 0.071 0.000 2.133 564 D HA -0.191 4.449 4.640 -0.001 0.000 0.195 564 D C 2.075 178.168 176.300 -0.346 0.000 0.997 564 D CA 1.643 55.633 54.000 -0.016 0.000 0.840 564 D CB 0.130 40.917 40.800 -0.022 0.000 0.947 564 D HN 0.114 nan 8.370 nan 0.000 0.452 565 T N -0.164 114.254 114.554 -0.228 0.000 2.821 565 T HA -0.142 4.208 4.350 -0.001 0.000 0.267 565 T C 1.868 176.398 174.700 -0.284 0.000 1.046 565 T CA 1.011 62.955 62.100 -0.260 0.000 1.139 565 T CB -0.268 68.510 68.868 -0.151 0.000 0.871 565 T HN 0.220 nan 8.240 nan 0.000 0.454 566 M N 0.742 120.217 119.600 -0.209 0.000 2.073 566 M HA -0.133 4.346 4.480 -0.001 0.000 0.258 566 M C 2.300 178.326 176.300 -0.458 0.000 1.070 566 M CA 1.985 57.151 55.300 -0.222 0.000 1.103 566 M CB -0.223 32.317 32.600 -0.099 0.000 1.321 566 M HN 0.608 nan 8.290 nan 0.000 0.405 567 W N 0.347 121.296 121.300 -0.586 0.000 2.494 567 W HA 0.008 4.668 4.660 -0.001 0.000 0.286 567 W C 1.536 177.829 176.519 -0.377 0.000 1.218 567 W CA 0.465 57.322 57.345 -0.813 0.000 1.313 567 W CB -0.955 28.177 29.460 -0.546 0.000 1.105 567 W HN 0.134 nan 8.180 nan 0.000 0.561 568 K N 0.720 120.458 120.400 -1.102 0.000 2.025 568 K HA -0.175 4.145 4.320 -0.001 0.000 0.207 568 K C 0.508 176.856 176.600 -0.420 0.000 1.049 568 K CA 1.321 57.059 56.287 -0.916 0.000 0.933 568 K CB -0.326 31.544 32.500 -1.048 0.000 0.714 568 K HN -0.076 nan 8.250 nan 0.000 0.438 569 N N 0.075 118.566 118.700 -0.349 0.000 2.841 569 N HA 0.166 4.905 4.740 -0.001 0.000 0.257 569 N C -2.513 172.912 175.510 -0.142 0.000 1.396 569 N CA -2.060 50.871 53.050 -0.199 0.000 0.823 569 N CB 1.271 39.654 38.487 -0.173 0.000 1.162 569 N HN -0.205 nan 8.380 nan 0.000 0.503 570 P HA -0.011 nan 4.420 nan 0.000 0.225 570 P C 0.831 178.135 177.300 0.006 0.000 1.148 570 P CA 0.864 63.953 63.100 -0.018 0.000 0.779 570 P CB 0.426 32.180 31.700 0.089 0.000 0.780 571 S N -0.793 114.899 115.700 -0.013 0.000 2.453 571 S HA 0.070 4.540 4.470 -0.001 0.000 0.231 571 S C 1.178 175.767 174.600 -0.019 0.000 1.005 571 S CA 0.390 58.586 58.200 -0.007 0.000 0.949 571 S CB -0.618 62.575 63.200 -0.011 0.000 0.774 571 S HN 0.187 nan 8.310 nan 0.000 0.510 572 A N 2.000 124.797 122.820 -0.039 0.000 2.407 572 A HA 0.272 4.592 4.320 -0.001 0.000 0.248 572 A C 0.331 177.900 177.584 -0.026 0.000 1.082 572 A CA -0.238 51.776 52.037 -0.039 0.000 0.785 572 A CB 0.201 19.165 19.000 -0.061 0.000 1.020 572 A HN 0.308 nan 8.150 nan 0.000 0.489 573 K N 1.421 121.811 120.400 -0.016 0.000 2.436 573 K HA 0.130 4.449 4.320 -0.001 0.000 0.275 573 K C -0.443 176.161 176.600 0.006 0.000 0.999 573 K CA 0.228 56.512 56.287 -0.004 0.000 0.980 573 K CB 0.312 32.817 32.500 0.009 0.000 0.919 573 K HN 0.610 nan 8.250 nan 0.000 0.484 574 Q N 2.441 122.245 119.800 0.007 0.000 2.327 574 Q HA 0.054 4.394 4.340 -0.001 0.000 0.270 574 Q C 0.156 176.205 176.000 0.083 0.000 1.022 574 Q CA -0.331 55.492 55.803 0.033 0.000 0.773 574 Q CB 1.205 29.937 28.738 -0.010 0.000 1.251 574 Q HN 0.618 nan 8.270 nan 0.000 0.457 575 Y N 2.884 123.187 120.300 0.004 0.000 2.241 575 Y HA -0.233 4.317 4.550 -0.001 0.000 0.286 575 Y C 1.366 177.251 175.900 -0.026 0.000 1.166 575 Y CA 2.030 60.135 58.100 0.007 0.000 1.203 575 Y CB 0.357 38.834 38.460 0.028 0.000 0.977 575 Y HN 0.671 nan 8.280 nan 0.000 0.529 576 H N -0.920 118.102 119.070 -0.080 0.000 2.526 576 H HA 0.109 4.665 4.556 -0.001 0.000 0.274 576 H C 1.814 177.008 175.328 -0.222 0.000 0.999 576 H CA 0.382 56.273 56.048 -0.262 0.000 1.157 576 H CB 0.396 29.879 29.762 -0.465 0.000 1.407 576 H HN 0.312 nan 8.280 nan 0.000 0.568 577 R N 0.803 121.193 120.500 -0.184 0.000 1.963 577 R HA 0.051 4.390 4.340 -0.001 0.000 0.193 577 R C 0.311 176.302 176.300 -0.515 0.000 1.437 577 R CA 0.664 56.474 56.100 -0.484 0.000 1.176 577 R CB 0.302 30.318 30.300 -0.473 0.000 0.864 577 R HN 0.074 nan 8.270 nan 0.000 0.495 578 S N -1.789 113.694 115.700 -0.362 0.000 2.579 578 S HA 0.221 4.690 4.470 -0.001 0.000 0.272 578 S C 0.287 174.829 174.600 -0.096 0.000 1.141 578 S CA -0.209 57.856 58.200 -0.224 0.000 0.843 578 S CB 1.567 64.643 63.200 -0.206 0.000 1.122 578 S HN 0.487 nan 8.310 nan 0.000 0.468 579 S N 1.706 117.369 115.700 -0.062 0.000 2.481 579 S HA 0.067 4.536 4.470 -0.001 0.000 0.231 579 S C 1.039 175.657 174.600 0.031 0.000 0.996 579 S CA 0.755 58.947 58.200 -0.013 0.000 0.942 579 S CB -0.507 62.680 63.200 -0.023 0.000 0.768 579 S HN 1.014 nan 8.310 nan 0.000 0.520 580 S N 1.094 116.835 115.700 0.068 0.000 2.564 580 S HA 0.128 4.598 4.470 -0.001 0.000 0.278 580 S C 0.638 175.251 174.600 0.022 0.000 1.333 580 S CA -0.534 57.719 58.200 0.089 0.000 1.048 580 S CB 0.482 63.811 63.200 0.214 0.000 0.900 580 S HN 0.286 nan 8.310 nan 0.000 0.505 581 D N 3.407 123.804 120.400 -0.005 0.000 2.117 581 D HA -0.067 4.572 4.640 -0.001 0.000 0.198 581 D C 1.801 178.023 176.300 -0.130 0.000 0.982 581 D CA 1.453 55.429 54.000 -0.038 0.000 0.828 581 D CB -0.666 40.127 40.800 -0.013 0.000 0.967 581 D HN 0.694 nan 8.370 nan 0.000 0.464 582 T N 0.302 114.709 114.554 -0.244 0.000 2.737 582 T HA -0.164 4.185 4.350 -0.001 0.000 0.269 582 T C 0.923 175.150 174.700 -0.789 0.000 1.040 582 T CA 0.952 62.666 62.100 -0.643 0.000 1.142 582 T CB -0.136 68.158 68.868 -0.956 0.000 0.861 582 T HN 0.100 nan 8.240 nan 0.000 0.456 583 F N -0.133 119.732 119.950 -0.143 0.000 2.805 583 F HA 0.485 5.012 4.527 -0.001 0.000 0.317 583 F C 1.680 177.356 175.800 -0.208 0.000 1.146 583 F CA -1.264 56.627 58.000 -0.183 0.000 1.265 583 F CB -0.069 38.820 39.000 -0.184 0.000 0.992 583 F HN 0.070 nan 8.300 nan 0.000 0.511 584 G N 0.051 108.835 108.800 -0.028 0.000 2.623 584 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.214 584 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.214 584 G C 0.567 175.437 174.900 -0.050 0.000 1.138 584 G CA 0.350 45.422 45.100 -0.046 0.000 0.794 584 G HN 0.466 nan 8.290 nan 0.000 0.535 585 N N -1.322 117.358 118.700 -0.034 0.000 3.002 585 N HA 0.535 5.275 4.740 -0.001 0.000 0.331 585 N C -0.013 175.503 175.510 0.011 0.000 1.384 585 N CA -0.912 52.129 53.050 -0.016 0.000 0.780 585 N CB 0.733 39.217 38.487 -0.005 0.000 1.492 585 N HN -0.109 nan 8.380 nan 0.000 0.608 586 L N -1.210 120.044 121.223 0.051 0.000 3.202 586 L HA 0.406 4.745 4.340 -0.001 0.000 0.278 586 L C 1.623 178.612 176.870 0.197 0.000 1.268 586 L CA -0.325 54.595 54.840 0.134 0.000 1.034 586 L CB 0.025 42.183 42.059 0.165 0.000 1.407 586 L HN 0.675 nan 8.230 nan 0.000 0.581 587 K N 1.446 121.917 120.400 0.118 0.000 2.026 587 K HA -0.089 4.230 4.320 -0.001 0.000 0.208 587 K C 1.931 178.596 176.600 0.109 0.000 1.048 587 K CA 1.460 57.804 56.287 0.094 0.000 0.929 587 K CB 0.066 32.596 32.500 0.049 0.000 0.713 587 K HN 0.313 nan 8.250 nan 0.000 0.439 588 L N 0.189 121.474 121.223 0.103 0.000 2.046 588 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 588 L C 2.457 179.410 176.870 0.139 0.000 1.077 588 L CA 1.269 56.157 54.840 0.080 0.000 0.747 588 L CB -0.517 41.521 42.059 -0.035 0.000 0.896 588 L HN 0.235 nan 8.230 nan 0.000 0.432 589 F N 0.927 120.922 119.950 0.074 0.000 2.051 589 F HA -0.124 4.402 4.527 -0.001 0.000 0.296 589 F C 2.343 178.144 175.800 0.002 0.000 1.122 589 F CA 1.679 59.701 58.000 0.036 0.000 1.201 589 F CB -0.775 38.321 39.000 0.159 0.000 0.978 589 F HN -0.011 nan 8.300 nan 0.000 0.472 590 G N 0.128 109.094 108.800 0.277 0.000 2.513 590 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.219 590 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.219 590 G C 1.382 176.292 174.900 0.016 0.000 1.160 590 G CA 1.340 46.565 45.100 0.209 0.000 0.767 590 G HN 0.393 nan 8.290 nan 0.000 0.571 591 D N 0.952 121.342 120.400 -0.016 0.000 2.084 591 D HA -0.050 4.590 4.640 -0.001 0.000 0.194 591 D C 2.891 179.075 176.300 -0.192 0.000 0.990 591 D CA 1.394 55.347 54.000 -0.077 0.000 0.826 591 D CB -0.652 40.135 40.800 -0.022 0.000 0.971 591 D HN 0.314 nan 8.370 nan 0.000 0.453 592 A N 0.724 123.407 122.820 -0.228 0.000 1.933 592 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 592 A C 2.212 179.607 177.584 -0.314 0.000 1.175 592 A CA 1.007 52.863 52.037 -0.302 0.000 0.628 592 A CB -0.763 17.753 19.000 -0.808 0.000 0.814 592 A HN 0.196 nan 8.150 nan 0.000 0.444 593 L N -0.454 120.524 121.223 -0.409 0.000 1.955 593 L HA -0.154 4.186 4.340 -0.001 0.000 0.213 593 L C 2.650 179.495 176.870 -0.042 0.000 1.072 593 L CA 2.772 57.458 54.840 -0.256 0.000 0.755 593 L CB -1.042 40.761 42.059 -0.427 0.000 0.888 593 L HN 0.385 nan 8.230 nan 0.000 0.432 594 T N -0.691 113.835 114.554 -0.047 0.000 2.653 594 T HA -0.249 4.101 4.350 -0.001 0.000 0.268 594 T C 1.947 176.603 174.700 -0.073 0.000 1.035 594 T CA 1.796 63.888 62.100 -0.013 0.000 1.154 594 T CB -0.183 68.677 68.868 -0.014 0.000 0.862 594 T HN 0.095 nan 8.240 nan 0.000 0.441 595 K N 0.771 121.049 120.400 -0.203 0.000 2.057 595 K HA 0.104 4.423 4.320 -0.001 0.000 0.206 595 K C 2.429 178.944 176.600 -0.142 0.000 1.050 595 K CA 1.280 57.378 56.287 -0.315 0.000 0.935 595 K CB -0.200 31.768 32.500 -0.887 0.000 0.715 595 K HN 0.312 nan 8.250 nan 0.000 0.439 596 R N -1.746 118.719 120.500 -0.059 0.000 2.112 596 R HA 0.079 4.419 4.340 -0.001 0.000 0.216 596 R C 1.517 177.714 176.300 -0.172 0.000 1.080 596 R CA 0.846 56.920 56.100 -0.044 0.000 0.996 596 R CB 0.025 30.335 30.300 0.016 0.000 0.902 596 R HN 0.193 nan 8.270 nan 0.000 0.449 597 Y N -0.153 120.147 120.300 -0.000 0.000 2.449 597 Y HA 0.307 4.856 4.550 -0.001 0.000 0.254 597 Y C 0.785 176.705 175.900 0.032 0.000 1.140 597 Y CA 0.327 58.438 58.100 0.018 0.000 1.272 597 Y CB 1.275 39.734 38.460 -0.001 0.000 1.114 597 Y HN 0.179 nan 8.280 nan 0.000 0.525 598 G N 0.782 109.655 108.800 0.122 0.000 2.719 598 G HA2 0.091 4.051 3.960 -0.001 0.000 0.686 598 G HA3 0.091 4.051 3.960 -0.001 0.000 0.686 598 G C -0.194 174.767 174.900 0.101 0.000 1.201 598 G CA -1.022 44.133 45.100 0.091 0.000 0.768 598 G HN 0.536 nan 8.290 nan 0.000 0.629 599 A N 1.387 124.254 122.820 0.078 0.000 2.609 599 A HA 0.487 4.807 4.320 -0.001 0.000 0.232 599 A C 1.206 178.870 177.584 0.133 0.000 1.041 599 A CA 1.399 53.497 52.037 0.102 0.000 0.753 599 A CB 0.083 19.133 19.000 0.082 0.000 0.966 599 A HN 2.024 nan 8.150 nan 0.000 0.510 600 S N 1.341 117.161 115.700 0.200 0.000 2.499 600 S HA 0.388 4.857 4.470 -0.001 0.000 0.275 600 S C 1.377 176.049 174.600 0.119 0.000 1.257 600 S CA -0.007 58.310 58.200 0.195 0.000 1.050 600 S CB 1.372 64.799 63.200 0.378 0.000 0.937 600 S HN 1.085 nan 8.310 nan 0.000 0.490 601 A N 3.791 126.584 122.820 -0.044 0.000 2.016 601 A HA 0.143 4.463 4.320 -0.001 0.000 0.217 601 A C 0.691 178.072 177.584 -0.339 0.000 1.162 601 A CA 0.893 52.873 52.037 -0.095 0.000 0.662 601 A CB -0.382 18.559 19.000 -0.098 0.000 0.812 601 A HN 0.914 nan 8.150 nan 0.000 0.450 602 N N -4.307 113.928 118.700 -0.775 0.000 3.373 602 N HA 0.186 4.926 4.740 -0.001 0.000 0.275 602 N C -0.165 174.424 175.510 -1.533 0.000 1.489 602 N CA -0.235 51.929 53.050 -1.476 0.000 0.872 602 N CB 0.003 38.103 38.487 -0.645 0.000 1.555 602 N HN -0.040 nan 8.380 nan 0.000 0.500 603 L N 0.413 120.728 121.223 -1.514 0.000 2.012 603 L HA 0.033 4.372 4.340 -0.001 0.000 0.210 603 L C 1.289 177.988 176.870 -0.285 0.000 1.073 603 L CA 2.063 56.427 54.840 -0.793 0.000 0.748 603 L CB -1.173 40.712 42.059 -0.290 0.000 0.891 603 L HN 0.638 nan 8.230 nan 0.000 0.431 604 N N -0.027 118.514 118.700 -0.265 0.000 2.137 604 N HA -0.234 4.506 4.740 -0.001 0.000 0.190 604 N C 1.623 177.032 175.510 -0.169 0.000 1.017 604 N CA 1.641 54.588 53.050 -0.172 0.000 0.859 604 N CB -0.525 37.856 38.487 -0.176 0.000 1.002 604 N HN 0.519 nan 8.380 nan 0.000 0.428 605 D N -0.083 120.185 120.400 -0.220 0.000 2.084 605 D HA -0.108 4.531 4.640 -0.001 0.000 0.196 605 D C 1.816 178.087 176.300 -0.048 0.000 0.985 605 D CA 0.513 54.414 54.000 -0.165 0.000 0.826 605 D CB -0.345 40.348 40.800 -0.178 0.000 0.978 605 D HN 0.136 nan 8.370 nan 0.000 0.456 606 F N 0.736 120.595 119.950 -0.152 0.000 2.065 606 F HA -0.250 4.277 4.527 -0.001 0.000 0.298 606 F C 2.208 178.020 175.800 0.020 0.000 1.112 606 F CA 1.573 59.565 58.000 -0.013 0.000 1.212 606 F CB -0.522 38.528 39.000 0.083 0.000 0.975 606 F HN -0.094 nan 8.300 nan 0.000 0.476 607 V N 2.232 122.177 119.914 0.052 0.000 2.358 607 V HA -0.301 3.818 4.120 -0.001 0.000 0.246 607 V C 2.616 178.665 176.094 -0.075 0.000 1.047 607 V CA 2.198 64.488 62.300 -0.016 0.000 1.035 607 V CB -1.031 30.836 31.823 0.073 0.000 0.658 607 V HN 0.451 nan 8.190 nan 0.000 0.452 608 R N 1.043 121.506 120.500 -0.063 0.000 2.096 608 R HA -0.201 4.139 4.340 -0.001 0.000 0.235 608 R C 2.107 178.412 176.300 0.008 0.000 1.127 608 R CA 1.910 58.000 56.100 -0.016 0.000 0.968 608 R CB -0.428 29.821 30.300 -0.085 0.000 0.861 608 R HN 0.409 nan 8.270 nan 0.000 0.440 609 K N 0.516 120.863 120.400 -0.089 0.000 2.167 609 K HA 0.087 4.406 4.320 -0.001 0.000 0.203 609 K C 2.283 178.587 176.600 -0.493 0.000 1.052 609 K CA 0.970 57.068 56.287 -0.315 0.000 0.956 609 K CB -0.061 32.295 32.500 -0.241 0.000 0.735 609 K HN 0.278 nan 8.250 nan 0.000 0.451 610 A N 1.551 124.147 122.820 -0.374 0.000 1.917 610 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 610 A C 2.059 179.627 177.584 -0.026 0.000 1.182 610 A CA 1.492 53.438 52.037 -0.152 0.000 0.633 610 A CB -0.375 18.538 19.000 -0.144 0.000 0.819 610 A HN 0.183 nan 8.150 nan 0.000 0.448 611 Q N -0.129 119.632 119.800 -0.064 0.000 2.079 611 Q HA -0.045 4.294 4.340 -0.001 0.000 0.200 611 Q C 2.232 178.226 176.000 -0.010 0.000 0.974 611 Q CA 1.158 56.978 55.803 0.028 0.000 0.840 611 Q CB -0.654 28.127 28.738 0.073 0.000 0.898 611 Q HN 0.727 nan 8.270 nan 0.000 0.430 612 L N 0.121 121.173 121.223 -0.285 0.000 2.012 612 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 612 L C 2.555 179.562 176.870 0.228 0.000 1.073 612 L CA 1.498 56.182 54.840 -0.259 0.000 0.748 612 L CB -0.768 40.883 42.059 -0.680 0.000 0.891 612 L HN 0.210 nan 8.230 nan 0.000 0.431 613 S N -0.700 114.982 115.700 -0.031 0.000 2.383 613 S HA -0.240 4.230 4.470 -0.001 0.000 0.229 613 S C 1.936 176.790 174.600 0.423 0.000 1.030 613 S CA 1.536 59.897 58.200 0.267 0.000 1.002 613 S CB -0.021 63.219 63.200 0.068 0.000 0.829 613 S HN 0.441 nan 8.310 nan 0.000 0.467 614 Q N -1.095 118.923 119.800 0.363 0.000 2.049 614 Q HA -0.054 4.285 4.340 -0.001 0.000 0.198 614 Q C 1.894 178.105 176.000 0.353 0.000 0.971 614 Q CA 1.668 57.690 55.803 0.364 0.000 0.833 614 Q CB -0.368 28.541 28.738 0.285 0.000 0.896 614 Q HN 0.762 nan 8.270 nan 0.000 0.434 615 Y N 1.708 122.171 120.300 0.272 0.000 2.128 615 Y HA -0.318 4.232 4.550 -0.001 0.000 0.284 615 Y C 2.379 178.446 175.900 0.278 0.000 1.154 615 Y CA 1.942 60.225 58.100 0.306 0.000 1.149 615 Y CB 0.106 38.835 38.460 0.449 0.000 0.976 615 Y HN 0.140 nan 8.280 nan 0.000 0.505 616 E N -0.196 120.369 120.200 0.608 0.000 2.085 616 E HA -0.282 4.068 4.350 -0.001 0.000 0.194 616 E C 2.020 178.797 176.600 0.295 0.000 0.994 616 E CA 1.402 58.024 56.400 0.370 0.000 0.801 616 E CB -0.304 29.628 29.700 0.386 0.000 0.743 616 E HN 0.514 nan 8.360 nan 0.000 0.453 617 N N -0.074 118.820 118.700 0.322 0.000 2.197 617 N HA -0.102 4.638 4.740 -0.001 0.000 0.184 617 N C 2.016 177.639 175.510 0.189 0.000 1.030 617 N CA 1.121 54.358 53.050 0.312 0.000 0.851 617 N CB 0.132 38.843 38.487 0.373 0.000 1.003 617 N HN 0.044 nan 8.380 nan 0.000 0.430 618 V N 2.083 122.077 119.914 0.135 0.000 2.407 618 V HA -0.178 3.942 4.120 -0.001 0.000 0.248 618 V C 2.661 178.756 176.094 0.001 0.000 1.055 618 V CA 1.473 63.773 62.300 -0.001 0.000 1.049 618 V CB -0.595 31.157 31.823 -0.118 0.000 0.662 618 V HN 0.333 nan 8.190 nan 0.000 0.455 619 R N 0.368 120.869 120.500 0.001 0.000 2.080 619 R HA -0.202 4.137 4.340 -0.001 0.000 0.236 619 R C 2.329 178.722 176.300 0.155 0.000 1.137 619 R CA 1.909 58.020 56.100 0.018 0.000 0.943 619 R CB -0.491 29.802 30.300 -0.011 0.000 0.846 619 R HN 0.480 nan 8.270 nan 0.000 0.431 620 A N 0.785 123.748 122.820 0.238 0.000 1.902 620 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 620 A C 2.026 179.613 177.584 0.005 0.000 1.181 620 A CA 1.599 53.840 52.037 0.341 0.000 0.623 620 A CB -0.605 18.722 19.000 0.545 0.000 0.818 620 A HN 0.611 nan 8.150 nan 0.000 0.443 621 E N -1.123 118.841 120.200 -0.393 0.000 2.049 621 E HA -0.233 4.117 4.350 -0.001 0.000 0.198 621 E C 1.676 177.939 176.600 -0.563 0.000 1.007 621 E CA 1.731 57.494 56.400 -1.062 0.000 0.809 621 E CB -0.242 28.569 29.700 -1.482 0.000 0.749 621 E HN 0.633 nan 8.360 nan 0.000 0.450 622 F N 0.913 120.669 119.950 -0.323 0.000 2.163 622 F HA -0.051 4.475 4.527 -0.001 0.000 0.297 622 F C 2.396 178.151 175.800 -0.075 0.000 1.094 622 F CA 1.201 59.065 58.000 -0.225 0.000 1.290 622 F CB -0.116 38.737 39.000 -0.246 0.000 1.017 622 F HN 0.039 nan 8.300 nan 0.000 0.483 623 E N -0.040 120.263 120.200 0.171 0.000 2.118 623 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 623 E C 2.324 179.013 176.600 0.148 0.000 0.992 623 E CA 1.591 58.123 56.400 0.221 0.000 0.804 623 E CB -0.218 29.696 29.700 0.356 0.000 0.741 623 E HN 0.408 nan 8.360 nan 0.000 0.458 624 S N 0.299 115.945 115.700 -0.089 0.000 2.368 624 S HA -0.215 4.254 4.470 -0.001 0.000 0.225 624 S C 1.731 176.236 174.600 -0.158 0.000 1.030 624 S CA 1.383 59.325 58.200 -0.430 0.000 0.999 624 S CB -0.501 62.151 63.200 -0.914 0.000 0.844 624 S HN 0.325 nan 8.310 nan 0.000 0.459 625 H N 1.306 120.297 119.070 -0.133 0.000 2.428 625 H HA 0.229 4.785 4.556 -0.001 0.000 0.296 625 H C 2.537 177.878 175.328 0.022 0.000 1.062 625 H CA 1.365 57.367 56.048 -0.076 0.000 1.350 625 H CB -0.383 29.267 29.762 -0.187 0.000 1.403 625 H HN 0.369 nan 8.280 nan 0.000 0.533 626 S N -0.046 115.749 115.700 0.158 0.000 2.356 626 S HA -0.165 4.304 4.470 -0.001 0.000 0.223 626 S C 2.120 176.838 174.600 0.197 0.000 1.032 626 S CA 1.154 59.449 58.200 0.157 0.000 1.005 626 S CB -0.054 63.235 63.200 0.148 0.000 0.867 626 S HN 0.394 nan 8.310 nan 0.000 0.449 627 R N 1.383 121.990 120.500 0.179 0.000 2.073 627 R HA -0.046 4.294 4.340 -0.001 0.000 0.234 627 R C 0.973 177.364 176.300 0.152 0.000 1.134 627 R CA 1.592 57.796 56.100 0.174 0.000 0.952 627 R CB -0.254 30.171 30.300 0.208 0.000 0.850 627 R HN 0.258 nan 8.270 nan 0.000 0.433 628 N N -0.109 118.670 118.700 0.131 0.000 2.461 628 N HA -0.101 4.638 4.740 -0.001 0.000 0.188 628 N C 0.831 176.426 175.510 0.142 0.000 1.134 628 N CA 0.289 53.403 53.050 0.105 0.000 0.878 628 N CB -0.153 38.366 38.487 0.054 0.000 0.972 628 N HN 0.333 nan 8.380 nan 0.000 0.456 629 Y N 1.618 121.951 120.300 0.056 0.000 2.352 629 Y HA -0.120 4.429 4.550 -0.001 0.000 0.292 629 Y C 1.582 177.522 175.900 0.066 0.000 1.136 629 Y CA 1.337 59.477 58.100 0.067 0.000 1.227 629 Y CB -0.280 38.223 38.460 0.072 0.000 0.991 629 Y HN 0.066 nan 8.280 nan 0.000 0.545 630 T N -2.539 111.963 114.554 -0.088 0.000 3.176 630 T HA 0.181 4.531 4.350 -0.001 0.000 0.263 630 T C -0.121 174.533 174.700 -0.077 0.000 1.021 630 T CA -0.406 61.590 62.100 -0.174 0.000 0.905 630 T CB -0.381 68.433 68.868 -0.090 0.000 1.057 630 T HN -0.016 nan 8.240 nan 0.000 0.558 631 D N 1.990 122.371 120.400 -0.032 0.000 2.455 631 D HA 0.204 4.843 4.640 -0.001 0.000 0.241 631 D C 1.081 177.362 176.300 -0.032 0.000 1.138 631 D CA 0.019 54.009 54.000 -0.015 0.000 0.877 631 D CB 1.422 42.230 40.800 0.012 0.000 1.187 631 D HN 0.071 nan 8.370 nan 0.000 0.451 632 S N 0.395 116.078 115.700 -0.029 0.000 2.368 632 S HA -0.064 4.405 4.470 -0.001 0.000 0.225 632 S C 0.783 175.368 174.600 -0.025 0.000 1.030 632 S CA 0.954 59.136 58.200 -0.030 0.000 0.999 632 S CB 0.217 63.400 63.200 -0.027 0.000 0.844 632 S HN 0.501 nan 8.310 nan 0.000 0.459 633 T N 2.235 116.774 114.554 -0.025 0.000 2.829 633 T HA 0.331 4.681 4.350 -0.001 0.000 0.280 633 T C -0.179 174.509 174.700 -0.020 0.000 0.999 633 T CA -0.666 61.417 62.100 -0.029 0.000 0.983 633 T CB 1.141 69.979 68.868 -0.050 0.000 0.968 633 T HN 0.143 nan 8.240 nan 0.000 0.446 634 N N 2.845 121.544 118.700 -0.001 0.000 2.686 634 N HA -0.110 4.630 4.740 -0.001 0.000 0.261 634 N C -2.576 173.004 175.510 0.117 0.000 1.001 634 N CA 0.235 53.315 53.050 0.050 0.000 0.764 634 N CB -0.206 38.246 38.487 -0.058 0.000 0.898 634 N HN 0.409 nan 8.380 nan 0.000 0.544 635 P HA 0.074 nan 4.420 nan 0.000 0.274 635 P C -0.194 177.223 177.300 0.195 0.000 1.237 635 P CA -0.202 62.971 63.100 0.120 0.000 0.793 635 P CB 0.520 32.255 31.700 0.057 0.000 0.977 636 S N -0.064 115.745 115.700 0.181 0.000 2.549 636 S HA 0.217 4.686 4.470 -0.001 0.000 0.283 636 S C 1.054 175.818 174.600 0.273 0.000 1.320 636 S CA 0.085 58.388 58.200 0.172 0.000 1.058 636 S CB -0.370 62.873 63.200 0.072 0.000 0.882 636 S HN 0.665 nan 8.310 nan 0.000 0.498 637 T N -1.143 113.546 114.554 0.226 0.000 3.004 637 T HA 0.539 4.888 4.350 -0.001 0.000 0.266 637 T C 0.595 175.322 174.700 0.046 0.000 0.986 637 T CA 0.134 62.418 62.100 0.307 0.000 0.902 637 T CB 0.199 69.318 68.868 0.419 0.000 1.118 637 T HN 1.175 nan 8.240 nan 0.000 0.522 638 G N 0.904 109.468 108.800 -0.393 0.000 2.632 638 G HA2 0.559 4.518 3.960 -0.001 0.000 0.292 638 G HA3 0.559 4.518 3.960 -0.001 0.000 0.292 638 G C -2.604 171.765 174.900 -0.884 0.000 1.465 638 G CA -0.782 43.636 45.100 -1.137 0.000 0.824 638 G HN 0.529 nan 8.290 nan 0.000 0.509 639 L N 1.413 122.181 121.223 -0.759 0.000 2.580 639 L HA 0.684 5.023 4.340 -0.001 0.000 0.266 639 L C -1.591 175.001 176.870 -0.464 0.000 0.955 639 L CA -0.785 53.629 54.840 -0.710 0.000 0.886 639 L CB 1.664 43.123 42.059 -1.000 0.000 1.263 639 L HN 0.427 nan 8.230 nan 0.000 0.406 640 I N 5.309 125.675 120.570 -0.340 0.000 2.359 640 I HA 0.207 4.377 4.170 -0.001 0.000 0.284 640 I C -0.513 175.524 176.117 -0.133 0.000 1.018 640 I CA -0.500 60.729 61.300 -0.118 0.000 1.173 640 I CB 0.982 38.993 38.000 0.019 0.000 1.326 640 I HN 0.685 nan 8.210 nan 0.000 0.462 641 Y N 6.284 126.463 120.300 -0.202 0.000 2.526 641 Y HA -0.014 4.536 4.550 -0.001 0.000 0.330 641 Y C -0.125 175.745 175.900 -0.050 0.000 1.156 641 Y CA 0.188 58.167 58.100 -0.201 0.000 1.419 641 Y CB 0.667 39.077 38.460 -0.084 0.000 1.250 641 Y HN 0.556 nan 8.280 nan 0.000 0.540 642 W N 10.569 131.276 121.300 -0.989 0.000 2.288 642 W HA 0.417 5.076 4.660 -0.001 0.000 0.325 642 W C -1.530 174.419 176.519 -0.951 0.000 1.019 642 W CA -0.694 56.115 57.345 -0.894 0.000 1.403 642 W CB 0.552 29.441 29.460 -0.951 0.000 1.226 642 W HN 0.618 nan 8.180 nan 0.000 0.391 643 M N 3.576 122.784 119.600 -0.653 0.000 2.691 643 M HA 0.161 4.640 4.480 -0.001 0.000 0.293 643 M C 0.873 177.046 176.300 -0.212 0.000 1.259 643 M CA -0.883 54.030 55.300 -0.645 0.000 0.827 643 M CB 2.144 34.023 32.600 -1.202 0.000 1.753 643 M HN 0.233 nan 8.290 nan 0.000 0.465 644 L N 1.966 123.059 121.223 -0.217 0.000 2.043 644 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 644 L C 0.489 177.021 176.870 -0.564 0.000 1.075 644 L CA 1.955 56.664 54.840 -0.218 0.000 0.752 644 L CB -0.206 41.802 42.059 -0.085 0.000 0.891 644 L HN 0.913 nan 8.230 nan 0.000 0.432 645 N N -2.924 115.407 118.700 -0.614 0.000 3.020 645 N HA 0.215 4.954 4.740 -0.001 0.000 0.248 645 N C -1.317 173.897 175.510 -0.494 0.000 1.480 645 N CA -0.295 52.312 53.050 -0.738 0.000 0.874 645 N CB 1.199 39.086 38.487 -1.001 0.000 1.433 645 N HN -0.085 nan 8.380 nan 0.000 0.530 646 S N -1.146 114.340 115.700 -0.355 0.000 2.621 646 S HA 0.630 5.099 4.470 -0.001 0.000 0.302 646 S C -1.970 172.508 174.600 -0.203 0.000 1.093 646 S CA -1.747 56.311 58.200 -0.237 0.000 1.017 646 S CB 1.093 64.223 63.200 -0.117 0.000 1.077 646 S HN 0.435 nan 8.310 nan 0.000 0.517 647 P HA 0.080 nan 4.420 nan 0.000 0.223 647 P C -0.205 176.959 177.300 -0.228 0.000 1.151 647 P CA 0.909 63.829 63.100 -0.301 0.000 0.787 647 P CB 0.077 31.372 31.700 -0.675 0.000 0.788 648 W N -1.745 119.232 121.300 -0.537 0.000 3.121 648 W HA 0.383 5.042 4.660 -0.001 0.000 0.415 648 W C -1.275 174.724 176.519 -0.868 0.000 1.059 648 W CA -0.614 56.188 57.345 -0.905 0.000 1.185 648 W CB -0.719 28.266 29.460 -0.791 0.000 1.478 648 W HN -0.364 nan 8.180 nan 0.000 0.615 649 T N 1.403 115.144 114.554 -1.356 0.000 2.834 649 T HA 0.469 4.818 4.350 -0.001 0.000 0.298 649 T C -0.185 173.988 174.700 -0.878 0.000 0.966 649 T CA 0.135 61.640 62.100 -0.992 0.000 1.141 649 T CB 1.162 69.540 68.868 -0.817 0.000 0.905 649 T HN 0.693 nan 8.240 nan 0.000 0.535 650 S N 1.706 117.135 115.700 -0.451 0.000 2.685 650 S HA 0.623 5.092 4.470 -0.001 0.000 0.282 650 S C 0.143 174.661 174.600 -0.137 0.000 1.159 650 S CA -1.002 57.054 58.200 -0.240 0.000 0.833 650 S CB 1.171 64.353 63.200 -0.030 0.000 1.151 650 S HN 0.734 nan 8.310 nan 0.000 0.485 651 L N 1.784 122.956 121.223 -0.086 0.000 2.858 651 L HA 0.418 4.757 4.340 -0.001 0.000 0.251 651 L C 0.290 177.141 176.870 -0.032 0.000 1.149 651 L CA -0.176 54.616 54.840 -0.080 0.000 0.955 651 L CB -0.103 41.893 42.059 -0.106 0.000 1.289 651 L HN 0.805 nan 8.230 nan 0.000 0.542 652 H N -5.748 113.214 119.070 -0.179 0.000 3.008 652 H HA 0.251 4.807 4.556 -0.001 0.000 0.354 652 H C -1.185 174.128 175.328 -0.026 0.000 1.252 652 H CA -1.092 54.834 56.048 -0.203 0.000 1.117 652 H CB 0.869 30.327 29.762 -0.506 0.000 1.857 652 H HN -0.084 nan 8.280 nan 0.000 0.547 653 W N 1.653 122.760 121.300 -0.323 0.000 6.199 653 W HA -0.190 4.469 4.660 -0.001 0.000 0.416 653 W C -0.872 175.423 176.519 -0.373 0.000 1.636 653 W CA 1.302 58.333 57.345 -0.524 0.000 1.040 653 W CB -2.145 26.697 29.460 -1.030 0.000 2.854 653 W HN 0.920 nan 8.180 nan 0.000 1.467 654 Q N -2.064 117.783 119.800 0.079 0.000 2.426 654 Q HA 0.632 4.972 4.340 -0.001 0.000 0.278 654 Q C -0.375 175.651 176.000 0.043 0.000 1.007 654 Q CA -1.040 54.745 55.803 -0.029 0.000 0.850 654 Q CB 1.157 29.831 28.738 -0.106 0.000 1.427 654 Q HN 0.140 nan 8.270 nan 0.000 0.391 655 L N 0.483 121.653 121.223 -0.089 0.000 2.265 655 L HA 0.327 4.667 4.340 -0.001 0.000 0.195 655 L C 0.611 177.594 176.870 0.187 0.000 1.083 655 L CA 0.370 55.179 54.840 -0.051 0.000 0.798 655 L CB 0.158 42.116 42.059 -0.167 0.000 0.989 655 L HN 0.678 nan 8.230 nan 0.000 0.472 656 F N 0.510 120.606 119.950 0.242 0.000 2.458 656 F HA 0.562 5.088 4.527 -0.001 0.000 0.330 656 F C -0.185 175.678 175.800 0.105 0.000 1.082 656 F CA -1.860 56.298 58.000 0.264 0.000 0.995 656 F CB 0.208 39.503 39.000 0.492 0.000 1.170 656 F HN -0.011 nan 8.300 nan 0.000 0.478 657 D N 1.842 122.398 120.400 0.260 0.000 2.466 657 D HA 0.438 5.078 4.640 -0.001 0.000 0.262 657 D C 1.123 177.462 176.300 0.065 0.000 1.177 657 D CA -0.388 53.648 54.000 0.060 0.000 1.035 657 D CB 0.716 41.522 40.800 0.010 0.000 1.105 657 D HN 0.754 nan 8.370 nan 0.000 0.551 658 A N -0.873 121.838 122.820 -0.181 0.000 2.032 658 A HA -0.195 4.125 4.320 -0.001 0.000 0.221 658 A C 1.340 178.821 177.584 -0.172 0.000 1.165 658 A CA 1.248 53.128 52.037 -0.262 0.000 0.645 658 A CB -1.060 17.561 19.000 -0.631 0.000 0.807 658 A HN 0.597 nan 8.150 nan 0.000 0.453 659 Y N -1.778 118.600 120.300 0.131 0.000 2.457 659 Y HA 0.280 4.830 4.550 -0.001 0.000 0.263 659 Y C 1.033 176.977 175.900 0.073 0.000 1.164 659 Y CA 0.016 58.181 58.100 0.108 0.000 1.274 659 Y CB 0.015 38.525 38.460 0.083 0.000 1.097 659 Y HN 0.231 nan 8.280 nan 0.000 0.523 660 M N -1.021 118.707 119.600 0.214 0.000 2.976 660 M HA -0.238 4.242 4.480 -0.001 0.000 0.209 660 M C -0.599 175.830 176.300 0.214 0.000 0.579 660 M CA 0.542 55.931 55.300 0.150 0.000 0.783 660 M CB -1.802 30.732 32.600 -0.110 0.000 2.807 660 M HN 0.240 nan 8.290 nan 0.000 0.362 661 D N 1.711 122.219 120.400 0.180 0.000 2.377 661 D HA 0.454 5.093 4.640 -0.001 0.000 0.245 661 D C 0.097 176.366 176.300 -0.053 0.000 1.196 661 D CA 0.479 54.523 54.000 0.074 0.000 0.962 661 D CB 0.655 41.507 40.800 0.086 0.000 1.127 661 D HN 0.379 nan 8.370 nan 0.000 0.471 662 Q N 1.118 120.787 119.800 -0.218 0.000 2.290 662 Q HA 0.300 4.639 4.340 -0.001 0.000 0.269 662 Q C -0.423 175.291 176.000 -0.477 0.000 1.016 662 Q CA -0.943 54.530 55.803 -0.550 0.000 0.754 662 Q CB 1.678 29.819 28.738 -0.994 0.000 1.247 662 Q HN 0.433 nan 8.270 nan 0.000 0.451 663 N N 0.450 118.946 118.700 -0.339 0.000 2.879 663 N HA 0.333 5.072 4.740 -0.001 0.000 0.329 663 N C 0.956 176.361 175.510 -0.174 0.000 1.337 663 N CA -0.178 52.757 53.050 -0.190 0.000 0.844 663 N CB -0.239 38.240 38.487 -0.013 0.000 1.236 663 N HN 0.433 nan 8.380 nan 0.000 0.601 664 G N -0.604 108.288 108.800 0.152 0.000 2.418 664 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.217 664 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.217 664 G C 1.392 176.474 174.900 0.304 0.000 1.158 664 G CA 1.690 47.039 45.100 0.415 0.000 0.771 664 G HN 0.803 nan 8.290 nan 0.000 0.545 665 A N -0.031 122.880 122.820 0.153 0.000 1.908 665 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 665 A C 2.190 179.731 177.584 -0.071 0.000 1.181 665 A CA 1.750 53.810 52.037 0.037 0.000 0.627 665 A CB -0.745 18.276 19.000 0.036 0.000 0.818 665 A HN 0.476 nan 8.150 nan 0.000 0.445 666 Y N -0.876 119.323 120.300 -0.169 0.000 2.097 666 Y HA -0.304 4.246 4.550 -0.001 0.000 0.282 666 Y C 2.281 178.077 175.900 -0.174 0.000 1.152 666 Y CA 2.376 60.342 58.100 -0.224 0.000 1.136 666 Y CB -0.362 37.909 38.460 -0.314 0.000 0.975 666 Y HN 0.401 nan 8.280 nan 0.000 0.498 667 Y N -0.481 119.938 120.300 0.198 0.000 2.293 667 Y HA -0.026 4.523 4.550 -0.001 0.000 0.291 667 Y C 2.583 178.305 175.900 -0.296 0.000 1.137 667 Y CA 0.698 58.859 58.100 0.103 0.000 1.202 667 Y CB -1.330 37.340 38.460 0.350 0.000 0.990 667 Y HN 0.183 nan 8.280 nan 0.000 0.537 668 G N -0.258 108.297 108.800 -0.409 0.000 2.433 668 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 668 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 668 G C 1.989 176.586 174.900 -0.504 0.000 1.186 668 G CA 1.189 45.773 45.100 -0.861 0.000 0.779 668 G HN 0.454 nan 8.290 nan 0.000 0.543 669 A N 0.769 123.320 122.820 -0.448 0.000 1.883 669 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 669 A C 2.224 179.454 177.584 -0.591 0.000 1.186 669 A CA 2.256 53.927 52.037 -0.609 0.000 0.624 669 A CB -0.491 18.086 19.000 -0.705 0.000 0.822 669 A HN 0.417 nan 8.150 nan 0.000 0.444 670 K N -0.393 119.730 120.400 -0.462 0.000 2.063 670 K HA -0.239 4.080 4.320 -0.001 0.000 0.208 670 K C 2.133 178.573 176.600 -0.266 0.000 1.048 670 K CA 1.892 57.978 56.287 -0.334 0.000 0.928 670 K CB -0.114 32.288 32.500 -0.163 0.000 0.713 670 K HN 0.283 nan 8.250 nan 0.000 0.442 671 K N 0.891 121.146 120.400 -0.242 0.000 2.002 671 K HA -0.055 4.265 4.320 -0.001 0.000 0.209 671 K C 1.796 178.177 176.600 -0.364 0.000 1.048 671 K CA 1.797 57.983 56.287 -0.168 0.000 0.930 671 K CB -0.722 31.723 32.500 -0.091 0.000 0.714 671 K HN 0.207 nan 8.250 nan 0.000 0.438 672 A N 0.844 123.428 122.820 -0.393 0.000 1.986 672 A HA -0.147 4.173 4.320 -0.001 0.000 0.220 672 A C 1.424 178.616 177.584 -0.654 0.000 1.171 672 A CA 1.906 53.670 52.037 -0.454 0.000 0.640 672 A CB -0.508 18.381 19.000 -0.185 0.000 0.811 672 A HN 0.500 nan 8.150 nan 0.000 0.451 673 N N 0.498 118.873 118.700 -0.541 0.000 2.279 673 N HA 0.084 4.824 4.740 -0.001 0.000 0.226 673 N C -0.652 174.672 175.510 -0.309 0.000 1.126 673 N CA -0.023 52.776 53.050 -0.418 0.000 0.846 673 N CB 0.339 38.543 38.487 -0.471 0.000 1.050 673 N HN 0.627 nan 8.380 nan 0.000 0.502 674 E N 1.420 121.419 120.200 -0.335 0.000 2.415 674 E HA -0.006 4.344 4.350 -0.001 0.000 0.262 674 E C -1.214 175.348 176.600 -0.062 0.000 1.038 674 E CA -1.372 54.944 56.400 -0.139 0.000 0.921 674 E CB 0.852 30.542 29.700 -0.017 0.000 0.950 674 E HN 0.120 nan 8.360 nan 0.000 0.438 675 P HA -0.120 nan 4.420 nan 0.000 0.218 675 P C -0.064 177.256 177.300 0.034 0.000 1.149 675 P CA 1.041 64.136 63.100 -0.008 0.000 0.817 675 P CB 0.380 32.072 31.700 -0.014 0.000 0.785 676 L N -0.521 120.740 121.223 0.065 0.000 2.406 676 L HA 0.474 4.813 4.340 -0.001 0.000 0.270 676 L C -1.111 175.851 176.870 0.152 0.000 0.982 676 L CA -0.959 53.934 54.840 0.089 0.000 0.843 676 L CB 1.221 43.312 42.059 0.054 0.000 1.225 676 L HN -0.066 nan 8.230 nan 0.000 0.412 677 H N 3.810 122.902 119.070 0.038 0.000 2.771 677 H HA 0.631 5.186 4.556 -0.001 0.000 0.361 677 H C -1.529 173.844 175.328 0.075 0.000 1.108 677 H CA -0.492 55.587 56.048 0.052 0.000 1.201 677 H CB 1.802 31.591 29.762 0.044 0.000 1.681 677 H HN 0.581 nan 8.280 nan 0.000 0.534 678 I N 5.041 125.343 120.570 -0.447 0.000 2.441 678 I HA 0.351 4.520 4.170 -0.001 0.000 0.295 678 I C -1.220 174.629 176.117 -0.448 0.000 0.994 678 I CA -0.394 60.725 61.300 -0.302 0.000 1.144 678 I CB 0.982 38.929 38.000 -0.087 0.000 1.314 678 I HN 0.821 nan 8.210 nan 0.000 0.445 679 Q N 6.149 125.863 119.800 -0.145 0.000 2.456 679 Q HA 0.354 4.694 4.340 -0.001 0.000 0.284 679 Q C -2.021 174.043 176.000 0.107 0.000 1.061 679 Q CA -0.923 54.941 55.803 0.102 0.000 0.799 679 Q CB 2.435 31.294 28.738 0.201 0.000 1.445 679 Q HN 0.661 nan 8.270 nan 0.000 0.411 680 Y N 0.820 121.014 120.300 -0.176 0.000 2.328 680 Y HA 0.433 4.982 4.550 -0.001 0.000 0.336 680 Y C -1.096 174.482 175.900 -0.536 0.000 0.960 680 Y CA -0.568 57.199 58.100 -0.555 0.000 1.134 680 Y CB 2.055 39.795 38.460 -1.201 0.000 1.166 680 Y HN 0.741 nan 8.280 nan 0.000 0.464 681 S N 6.401 121.589 115.700 -0.853 0.000 2.443 681 S HA 0.034 4.503 4.470 -0.001 0.000 0.284 681 S C 0.838 174.768 174.600 -1.116 0.000 1.206 681 S CA -0.429 57.218 58.200 -0.922 0.000 1.074 681 S CB -0.052 62.720 63.200 -0.713 0.000 0.963 681 S HN 0.785 nan 8.310 nan 0.000 0.501 682 H N 2.656 121.258 119.070 -0.780 0.000 2.518 682 H HA -0.100 4.456 4.556 -0.001 0.000 0.289 682 H C 1.588 176.713 175.328 -0.338 0.000 1.051 682 H CA 1.535 57.386 56.048 -0.329 0.000 1.280 682 H CB 0.166 29.945 29.762 0.027 0.000 1.380 682 H HN 0.732 nan 8.280 nan 0.000 0.566 683 D N 0.407 120.529 120.400 -0.463 0.000 2.197 683 D HA -0.109 4.530 4.640 -0.001 0.000 0.212 683 D C 1.263 177.441 176.300 -0.203 0.000 0.963 683 D CA 0.899 54.767 54.000 -0.221 0.000 0.864 683 D CB -0.364 40.357 40.800 -0.131 0.000 1.009 683 D HN 0.410 nan 8.370 nan 0.000 0.479 684 N N -0.705 117.808 118.700 -0.312 0.000 2.143 684 N HA 0.105 4.845 4.740 -0.001 0.000 0.229 684 N C 0.015 175.340 175.510 -0.308 0.000 1.294 684 N CA -0.323 52.584 53.050 -0.239 0.000 0.883 684 N CB 0.218 38.597 38.487 -0.180 0.000 1.148 684 N HN 0.072 nan 8.380 nan 0.000 0.511 685 R N -0.355 119.831 120.500 -0.525 0.000 3.936 685 R HA -0.133 4.207 4.340 -0.001 0.000 0.366 685 R C -0.807 175.175 176.300 -0.531 0.000 1.158 685 R CA 0.957 56.677 56.100 -0.633 0.000 0.969 685 R CB -2.636 27.532 30.300 -0.221 0.000 1.504 685 R HN 0.561 nan 8.270 nan 0.000 0.538 686 S N -0.354 115.057 115.700 -0.483 0.000 2.528 686 S HA 0.457 4.926 4.470 -0.001 0.000 0.277 686 S C 0.503 174.929 174.600 -0.288 0.000 1.297 686 S CA -0.839 57.185 58.200 -0.293 0.000 1.052 686 S CB 2.247 65.330 63.200 -0.195 0.000 0.917 686 S HN 0.094 nan 8.310 nan 0.000 0.492 687 V N 4.331 124.167 119.914 -0.129 0.000 2.385 687 V HA 0.368 4.488 4.120 -0.001 0.000 0.269 687 V C -0.167 175.910 176.094 -0.028 0.000 1.043 687 V CA -0.432 61.840 62.300 -0.046 0.000 0.906 687 V CB 1.030 32.872 31.823 0.032 0.000 0.995 687 V HN 0.841 nan 8.190 nan 0.000 0.467 688 V N 6.105 126.010 119.914 -0.015 0.000 2.604 688 V HA 0.494 4.613 4.120 -0.001 0.000 0.305 688 V C -0.228 175.879 176.094 0.022 0.000 1.043 688 V CA -0.620 61.687 62.300 0.012 0.000 0.888 688 V CB 2.324 34.168 31.823 0.035 0.000 0.995 688 V HN 0.560 nan 8.190 nan 0.000 0.429 689 V N 5.750 125.683 119.914 0.032 0.000 2.435 689 V HA 0.525 4.644 4.120 -0.001 0.000 0.290 689 V C -0.293 175.845 176.094 0.074 0.000 1.030 689 V CA -0.470 61.852 62.300 0.038 0.000 0.881 689 V CB 1.669 33.509 31.823 0.029 0.000 0.983 689 V HN 0.564 nan 8.190 nan 0.000 0.445 690 I N 4.101 124.735 120.570 0.107 0.000 2.465 690 I HA 0.420 4.590 4.170 -0.001 0.000 0.291 690 I C -0.432 175.756 176.117 0.118 0.000 1.014 690 I CA -0.517 60.863 61.300 0.134 0.000 1.093 690 I CB 1.976 40.088 38.000 0.187 0.000 1.267 690 I HN 0.580 nan 8.210 nan 0.000 0.431 691 N N 5.629 124.386 118.700 0.094 0.000 2.511 691 N HA 0.216 4.956 4.740 -0.001 0.000 0.249 691 N C 0.421 175.968 175.510 0.062 0.000 0.971 691 N CA -0.284 52.808 53.050 0.070 0.000 0.938 691 N CB 1.235 39.756 38.487 0.057 0.000 1.131 691 N HN 0.362 nan 8.380 nan 0.000 0.505 692 Q N 0.556 120.380 119.800 0.041 0.000 2.424 692 Q HA 0.035 4.375 4.340 -0.001 0.000 0.204 692 Q C 0.545 176.547 176.000 0.003 0.000 0.933 692 Q CA 0.294 56.106 55.803 0.016 0.000 0.929 692 Q CB -0.188 28.541 28.738 -0.014 0.000 1.037 692 Q HN 0.773 nan 8.270 nan 0.000 0.511 693 T N -1.195 113.360 114.554 0.003 0.000 2.766 693 T HA 0.119 4.468 4.350 -0.001 0.000 0.295 693 T C 1.295 175.984 174.700 -0.019 0.000 1.024 693 T CA 0.115 62.205 62.100 -0.017 0.000 1.018 693 T CB 0.917 69.774 68.868 -0.019 0.000 1.002 693 T HN 0.132 nan 8.240 nan 0.000 0.532 694 S N 0.042 115.712 115.700 -0.050 0.000 2.593 694 S HA 0.153 4.623 4.470 -0.001 0.000 0.217 694 S C 0.352 174.920 174.600 -0.054 0.000 0.966 694 S CA -0.663 57.499 58.200 -0.064 0.000 0.914 694 S CB -0.506 62.609 63.200 -0.142 0.000 0.776 694 S HN 0.693 nan 8.310 nan 0.000 0.523 695 N N 1.442 120.119 118.700 -0.038 0.000 2.238 695 N HA 0.554 5.294 4.740 -0.001 0.000 0.302 695 N C -0.752 174.754 175.510 -0.006 0.000 1.072 695 N CA -0.391 52.643 53.050 -0.027 0.000 0.792 695 N CB 1.876 40.341 38.487 -0.037 0.000 1.425 695 N HN 0.257 nan 8.380 nan 0.000 0.478 696 A N 1.063 123.884 122.820 0.001 0.000 2.561 696 A HA 0.270 4.590 4.320 -0.001 0.000 0.234 696 A C 0.142 177.729 177.584 0.006 0.000 1.055 696 A CA 0.165 52.208 52.037 0.009 0.000 0.756 696 A CB 0.101 19.107 19.000 0.010 0.000 0.986 696 A HN 0.403 nan 8.150 nan 0.000 0.505 697 V N 2.207 122.128 119.914 0.011 0.000 2.715 697 V HA 0.661 4.780 4.120 -0.001 0.000 0.310 697 V C 0.308 176.408 176.094 0.010 0.000 1.054 697 V CA -0.346 61.959 62.300 0.009 0.000 0.928 697 V CB 2.154 33.984 31.823 0.013 0.000 1.007 697 V HN 0.990 nan 8.190 nan 0.000 0.437 698 S N 1.087 116.791 115.700 0.007 0.000 2.599 698 S HA 0.742 5.212 4.470 -0.001 0.000 0.287 698 S C 0.467 175.070 174.600 0.005 0.000 1.105 698 S CA 0.108 58.311 58.200 0.006 0.000 0.899 698 S CB 1.747 64.949 63.200 0.004 0.000 1.100 698 S HN 1.735 nan 8.310 nan 0.000 0.482 699 G N 1.317 110.119 108.800 0.005 0.000 2.272 699 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.280 699 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.280 699 G C -0.327 174.576 174.900 0.004 0.000 1.067 699 G CA 0.010 45.112 45.100 0.003 0.000 0.902 699 G HN 0.501 nan 8.290 nan 0.000 0.500 700 L N 0.434 121.661 121.223 0.007 0.000 2.350 700 L HA 0.633 4.973 4.340 -0.001 0.000 0.275 700 L C 1.018 177.891 176.870 0.006 0.000 1.099 700 L CA -0.047 54.798 54.840 0.008 0.000 0.808 700 L CB 1.714 43.780 42.059 0.012 0.000 1.149 700 L HN 0.321 nan 8.230 nan 0.000 0.442 701 T N 1.734 116.290 114.554 0.005 0.000 2.779 701 T HA 0.698 5.048 4.350 -0.001 0.000 0.280 701 T C -0.476 174.227 174.700 0.003 0.000 0.987 701 T CA -0.603 61.498 62.100 0.001 0.000 0.966 701 T CB 1.318 70.184 68.868 -0.004 0.000 0.933 701 T HN 0.666 nan 8.240 nan 0.000 0.442 702 A N 4.108 126.930 122.820 0.004 0.000 2.271 702 A HA 0.668 4.987 4.320 -0.001 0.000 0.317 702 A C 0.174 177.761 177.584 0.005 0.000 1.245 702 A CA -0.679 51.363 52.037 0.008 0.000 0.857 702 A CB 0.674 19.682 19.000 0.013 0.000 1.175 702 A HN 0.859 nan 8.150 nan 0.000 0.512 703 T N 2.062 116.618 114.554 0.003 0.000 2.815 703 T HA 0.544 4.894 4.350 -0.001 0.000 0.289 703 T C -0.078 174.625 174.700 0.005 0.000 1.000 703 T CA -0.259 61.835 62.100 -0.010 0.000 0.958 703 T CB 1.223 70.074 68.868 -0.029 0.000 0.944 703 T HN 0.794 nan 8.240 nan 0.000 0.442 704 T N 3.024 117.591 114.554 0.023 0.000 2.807 704 T HA 0.644 4.994 4.350 -0.001 0.000 0.279 704 T C -1.034 173.696 174.700 0.049 0.000 0.993 704 T CA -0.764 61.379 62.100 0.072 0.000 0.970 704 T CB 0.503 69.460 68.868 0.148 0.000 0.950 704 T HN 0.491 nan 8.240 nan 0.000 0.441 705 K N 4.158 124.566 120.400 0.014 0.000 2.482 705 K HA 0.528 4.848 4.320 -0.001 0.000 0.251 705 K C -0.970 175.566 176.600 -0.107 0.000 0.936 705 K CA -0.776 55.443 56.287 -0.115 0.000 0.791 705 K CB 2.307 34.639 32.500 -0.280 0.000 1.213 705 K HN 0.537 nan 8.250 nan 0.000 0.428 706 L N 2.983 124.139 121.223 -0.112 0.000 2.322 706 L HA 0.536 4.876 4.340 -0.001 0.000 0.279 706 L C -0.930 175.785 176.870 -0.258 0.000 1.036 706 L CA -0.950 53.876 54.840 -0.023 0.000 0.807 706 L CB 0.571 42.666 42.059 0.060 0.000 1.226 706 L HN 0.532 nan 8.230 nan 0.000 0.433 707 Y N 0.553 120.995 120.300 0.237 0.000 2.442 707 Y HA 0.332 4.882 4.550 -0.001 0.000 0.344 707 Y C 0.196 176.225 175.900 0.215 0.000 0.976 707 Y CA -1.044 57.197 58.100 0.236 0.000 1.040 707 Y CB 1.669 40.351 38.460 0.371 0.000 1.228 707 Y HN 0.509 nan 8.280 nan 0.000 0.451 708 N N 1.829 120.703 118.700 0.291 0.000 2.399 708 N HA 0.162 4.901 4.740 -0.001 0.000 0.250 708 N C 0.923 176.547 175.510 0.190 0.000 1.272 708 N CA -0.080 53.096 53.050 0.210 0.000 0.928 708 N CB 0.798 39.361 38.487 0.127 0.000 1.158 708 N HN 0.730 nan 8.380 nan 0.000 0.463 709 L N 0.358 121.653 121.223 0.119 0.000 2.549 709 L HA -0.134 4.205 4.340 -0.001 0.000 0.229 709 L C 0.956 177.851 176.870 0.041 0.000 1.158 709 L CA 0.883 55.754 54.840 0.051 0.000 0.842 709 L CB -0.439 41.635 42.059 0.026 0.000 0.952 709 L HN 0.563 nan 8.230 nan 0.000 0.452 710 D N -1.008 119.434 120.400 0.069 0.000 2.339 710 D HA 0.038 4.677 4.640 -0.001 0.000 0.217 710 D C 1.412 177.757 176.300 0.076 0.000 1.050 710 D CA 0.724 54.759 54.000 0.057 0.000 0.856 710 D CB 0.258 41.092 40.800 0.057 0.000 0.922 710 D HN 0.175 nan 8.370 nan 0.000 0.518 711 G N -0.306 108.568 108.800 0.122 0.000 2.157 711 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.248 711 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.248 711 G C 0.227 175.319 174.900 0.320 0.000 0.979 711 G CA 0.222 45.428 45.100 0.177 0.000 0.650 711 G HN 0.411 nan 8.290 nan 0.000 0.529 712 T N 1.171 115.881 114.554 0.259 0.000 2.779 712 T HA 0.406 4.755 4.350 -0.001 0.000 0.296 712 T C 0.413 175.254 174.700 0.235 0.000 0.938 712 T CA 0.198 62.429 62.100 0.218 0.000 1.119 712 T CB 1.568 70.507 68.868 0.119 0.000 0.891 712 T HN 0.470 nan 8.240 nan 0.000 0.526 713 E N 2.470 122.774 120.200 0.173 0.000 2.376 713 E HA 0.036 4.386 4.350 -0.001 0.000 0.266 713 E C 0.544 177.090 176.600 -0.090 0.000 1.009 713 E CA -0.222 56.098 56.400 -0.133 0.000 0.902 713 E CB 0.379 29.976 29.700 -0.172 0.000 0.972 713 E HN 0.368 nan 8.360 nan 0.000 0.439 714 K N 3.224 123.548 120.400 -0.127 0.000 2.464 714 K HA 0.073 4.392 4.320 -0.001 0.000 0.206 714 K C -0.843 175.765 176.600 0.013 0.000 1.186 714 K CA -0.020 56.238 56.287 -0.048 0.000 0.990 714 K CB 0.802 33.272 32.500 -0.050 0.000 1.003 714 K HN 0.554 nan 8.250 nan 0.000 0.562 715 Y N -0.124 120.064 120.300 -0.186 0.000 2.482 715 Y HA 0.443 4.992 4.550 -0.001 0.000 0.334 715 Y C -1.557 174.240 175.900 -0.171 0.000 1.091 715 Y CA -0.744 57.268 58.100 -0.147 0.000 1.027 715 Y CB 2.072 40.460 38.460 -0.119 0.000 1.306 715 Y HN -0.172 nan 8.280 nan 0.000 0.446 716 S N 4.388 119.647 115.700 -0.734 0.000 2.547 716 S HA 0.598 5.068 4.470 -0.001 0.000 0.281 716 S C -1.925 172.214 174.600 -0.768 0.000 1.118 716 S CA -0.627 57.220 58.200 -0.588 0.000 0.947 716 S CB 1.076 64.080 63.200 -0.326 0.000 1.053 716 S HN 0.772 nan 8.310 nan 0.000 0.482 717 N N 1.285 119.715 118.700 -0.450 0.000 2.336 717 N HA 0.538 5.277 4.740 -0.001 0.000 0.290 717 N C -1.810 173.634 175.510 -0.110 0.000 1.058 717 N CA -0.286 52.612 53.050 -0.254 0.000 0.865 717 N CB 2.029 40.461 38.487 -0.092 0.000 1.581 717 N HN 0.401 nan 8.380 nan 0.000 0.480 718 T N 2.310 116.812 114.554 -0.087 0.000 2.833 718 T HA 0.289 4.638 4.350 -0.001 0.000 0.297 718 T C -0.805 173.877 174.700 -0.030 0.000 1.015 718 T CA -0.434 61.635 62.100 -0.052 0.000 0.963 718 T CB 0.757 69.591 68.868 -0.057 0.000 0.955 718 T HN 0.289 nan 8.240 nan 0.000 0.449 719 K N 3.745 124.137 120.400 -0.014 0.000 2.354 719 K HA 0.408 4.728 4.320 -0.001 0.000 0.257 719 K C 0.376 176.973 176.600 -0.005 0.000 1.062 719 K CA -0.562 55.721 56.287 -0.006 0.000 0.971 719 K CB -0.018 32.485 32.500 0.005 0.000 1.305 719 K HN 0.708 nan 8.250 nan 0.000 0.449 720 T N -0.107 114.442 114.554 -0.008 0.000 2.874 720 T HA 0.514 4.863 4.350 -0.001 0.000 0.281 720 T C 0.846 175.544 174.700 -0.003 0.000 0.994 720 T CA -0.103 61.993 62.100 -0.006 0.000 1.015 720 T CB 1.277 70.140 68.868 -0.008 0.000 1.028 720 T HN 0.842 nan 8.240 nan 0.000 0.523 721 G N 0.831 109.630 108.800 -0.001 0.000 2.273 721 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.280 721 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.280 721 G C -0.119 174.783 174.900 0.003 0.000 1.047 721 G CA 0.236 45.336 45.100 0.001 0.000 0.869 721 G HN 0.878 nan 8.290 nan 0.000 0.502 722 L N 0.119 121.345 121.223 0.005 0.000 2.375 722 L HA 0.624 4.963 4.340 -0.001 0.000 0.271 722 L C 0.732 177.608 176.870 0.010 0.000 1.107 722 L CA -0.419 54.426 54.840 0.008 0.000 0.806 722 L CB 1.649 43.714 42.059 0.011 0.000 1.146 722 L HN 0.162 nan 8.230 nan 0.000 0.447 723 S N 1.164 116.871 115.700 0.012 0.000 2.532 723 S HA 0.694 5.164 4.470 -0.001 0.000 0.301 723 S C -1.083 173.529 174.600 0.019 0.000 1.083 723 S CA -0.545 57.664 58.200 0.014 0.000 1.025 723 S CB 2.324 65.531 63.200 0.011 0.000 1.056 723 S HN 0.372 nan 8.310 nan 0.000 0.494 724 V N 2.747 122.675 119.914 0.023 0.000 2.711 724 V HA 0.770 4.889 4.120 -0.001 0.000 0.304 724 V C 0.326 176.440 176.094 0.034 0.000 1.097 724 V CA -0.288 62.031 62.300 0.032 0.000 0.906 724 V CB 1.367 33.215 31.823 0.040 0.000 1.015 724 V HN 0.958 nan 8.190 nan 0.000 0.427 725 G N 4.138 112.961 108.800 0.038 0.000 2.684 725 G HA2 0.583 4.542 3.960 -0.001 0.000 0.255 725 G HA3 0.583 4.542 3.960 -0.001 0.000 0.255 725 G C 0.282 175.213 174.900 0.051 0.000 1.219 725 G CA 0.026 45.149 45.100 0.040 0.000 0.901 725 G HN 1.609 nan 8.290 nan 0.000 0.548 726 A N -1.042 121.808 122.820 0.050 0.000 2.332 726 A HA 0.577 4.896 4.320 -0.001 0.000 0.258 726 A C 0.786 178.421 177.584 0.086 0.000 1.087 726 A CA -0.350 51.718 52.037 0.051 0.000 0.802 726 A CB -0.013 19.006 19.000 0.031 0.000 1.042 726 A HN 1.508 nan 8.150 nan 0.000 0.489 727 L N -0.046 121.222 121.223 0.076 0.000 3.632 727 L HA -0.267 4.072 4.340 -0.001 0.000 0.510 727 L C 1.167 178.132 176.870 0.158 0.000 1.299 727 L CA 0.693 55.590 54.840 0.095 0.000 0.829 727 L CB -2.052 40.074 42.059 0.111 0.000 1.559 727 L HN 2.016 nan 8.230 nan 0.000 0.857 728 G N -1.903 106.979 108.800 0.136 0.000 2.194 728 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.236 728 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.236 728 G C 0.459 175.533 174.900 0.291 0.000 0.987 728 G CA -0.014 45.205 45.100 0.199 0.000 0.635 728 G HN 1.398 nan 8.290 nan 0.000 0.520 729 A N 0.145 123.089 122.820 0.207 0.000 2.386 729 A HA 0.685 5.004 4.320 -0.001 0.000 0.246 729 A C 0.587 178.242 177.584 0.118 0.000 1.089 729 A CA 1.122 53.245 52.037 0.144 0.000 0.790 729 A CB 0.357 19.412 19.000 0.092 0.000 1.042 729 A HN 1.379 nan 8.150 nan 0.000 0.497 730 K N -0.608 119.847 120.400 0.092 0.000 2.433 730 K HA 0.843 5.163 4.320 -0.001 0.000 0.252 730 K C -0.907 175.725 176.600 0.053 0.000 1.015 730 K CA -0.508 55.828 56.287 0.081 0.000 0.860 730 K CB 2.234 34.789 32.500 0.092 0.000 1.359 730 K HN 1.057 nan 8.250 nan 0.000 0.452 731 A N 0.746 123.593 122.820 0.045 0.000 2.515 731 A HA 0.571 4.890 4.320 -0.001 0.000 0.298 731 A C -1.171 176.426 177.584 0.022 0.000 1.059 731 A CA -0.818 51.236 52.037 0.029 0.000 0.698 731 A CB 1.947 20.962 19.000 0.025 0.000 1.289 731 A HN 0.617 nan 8.150 nan 0.000 0.404 732 T N 1.905 116.466 114.554 0.011 0.000 2.744 732 T HA 0.505 4.854 4.350 -0.001 0.000 0.291 732 T C 1.269 175.970 174.700 0.003 0.000 0.957 732 T CA 0.334 62.435 62.100 0.001 0.000 1.002 732 T CB 1.513 70.376 68.868 -0.009 0.000 0.919 732 T HN 0.993 nan 8.240 nan 0.000 0.468 733 A N 3.772 126.595 122.820 0.004 0.000 1.861 733 A HA 0.531 4.850 4.320 -0.001 0.000 0.212 733 A C 0.797 178.390 177.584 0.015 0.000 1.199 733 A CA 0.543 52.587 52.037 0.012 0.000 0.613 733 A CB 0.192 19.203 19.000 0.019 0.000 0.846 733 A HN 0.611 nan 8.150 nan 0.000 0.446 734 V N -1.550 118.373 119.914 0.014 0.000 3.167 734 V HA 0.419 4.539 4.120 -0.001 0.000 0.293 734 V C -1.460 174.629 176.094 -0.008 0.000 1.379 734 V CA -0.531 61.783 62.300 0.024 0.000 1.019 734 V CB 2.196 34.066 31.823 0.078 0.000 1.115 734 V HN 0.247 nan 8.190 nan 0.000 0.442 735 T N 3.807 118.349 114.554 -0.021 0.000 2.743 735 T HA 0.439 4.789 4.350 -0.001 0.000 0.292 735 T C -0.276 174.383 174.700 -0.068 0.000 0.972 735 T CA -0.201 61.859 62.100 -0.067 0.000 0.967 735 T CB 1.093 69.917 68.868 -0.074 0.000 0.926 735 T HN 0.552 nan 8.240 nan 0.000 0.459 736 V N 8.173 128.023 119.914 -0.106 0.000 2.493 736 V HA 0.128 4.247 4.120 -0.001 0.000 0.292 736 V C -1.323 174.622 176.094 -0.248 0.000 1.016 736 V CA -1.186 60.963 62.300 -0.251 0.000 1.097 736 V CB -0.142 31.560 31.823 -0.201 0.000 0.947 736 V HN 0.722 nan 8.190 nan 0.000 0.479 737 P HA 0.235 nan 4.420 nan 0.000 0.275 737 P C -0.589 176.602 177.300 -0.181 0.000 1.266 737 P CA -0.546 62.455 63.100 -0.165 0.000 0.793 737 P CB 0.765 32.414 31.700 -0.085 0.000 1.074 738 A N 0.940 123.695 122.820 -0.110 0.000 2.438 738 A HA 0.335 4.654 4.320 -0.001 0.000 0.280 738 A C 0.173 177.690 177.584 -0.110 0.000 1.160 738 A CA -0.239 51.738 52.037 -0.099 0.000 0.821 738 A CB -0.886 18.078 19.000 -0.061 0.000 1.101 738 A HN 0.304 nan 8.150 nan 0.000 0.515 739 V N 3.727 123.548 119.914 -0.155 0.000 2.439 739 V HA 0.413 4.532 4.120 -0.001 0.000 0.282 739 V C 0.877 176.897 176.094 -0.125 0.000 1.039 739 V CA -0.139 62.080 62.300 -0.135 0.000 0.913 739 V CB 1.312 33.030 31.823 -0.176 0.000 0.983 739 V HN 1.021 nan 8.190 nan 0.000 0.460 740 S N 3.188 118.841 115.700 -0.077 0.000 2.584 740 S HA 0.612 5.082 4.470 -0.001 0.000 0.273 740 S C 0.998 175.557 174.600 -0.070 0.000 1.311 740 S CA 0.324 58.485 58.200 -0.065 0.000 1.034 740 S CB 1.189 64.367 63.200 -0.038 0.000 0.939 740 S HN 2.253 nan 8.310 nan 0.000 0.513 741 G N 1.547 110.308 108.800 -0.065 0.000 2.141 741 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.231 741 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.231 741 G C -0.149 174.710 174.900 -0.068 0.000 0.984 741 G CA 0.013 45.082 45.100 -0.051 0.000 0.660 741 G HN 0.813 nan 8.290 nan 0.000 0.525 742 L N 2.133 123.279 121.223 -0.127 0.000 2.397 742 L HA 0.473 4.812 4.340 -0.001 0.000 0.271 742 L C 1.474 178.313 176.870 -0.052 0.000 1.148 742 L CA -0.048 54.688 54.840 -0.174 0.000 0.825 742 L CB 1.083 42.851 42.059 -0.485 0.000 1.117 742 L HN 0.413 nan 8.230 nan 0.000 0.456 743 S N -0.284 115.431 115.700 0.024 0.000 2.568 743 S HA -0.041 4.429 4.470 -0.001 0.000 0.282 743 S C 1.307 175.981 174.600 0.124 0.000 1.338 743 S CA -0.073 58.172 58.200 0.074 0.000 1.045 743 S CB 1.201 64.459 63.200 0.096 0.000 0.873 743 S HN 0.854 nan 8.310 nan 0.000 0.516 744 T N 1.944 116.557 114.554 0.097 0.000 2.653 744 T HA -0.159 4.191 4.350 -0.001 0.000 0.268 744 T C 0.754 175.550 174.700 0.161 0.000 1.035 744 T CA 1.905 64.073 62.100 0.113 0.000 1.154 744 T CB -1.087 67.824 68.868 0.071 0.000 0.862 744 T HN 0.739 nan 8.240 nan 0.000 0.441 745 T N 2.393 117.020 114.554 0.122 0.000 2.771 745 T HA 0.562 4.912 4.350 -0.001 0.000 0.291 745 T C -0.767 174.036 174.700 0.172 0.000 0.954 745 T CA -0.543 61.613 62.100 0.093 0.000 1.045 745 T CB 0.593 69.472 68.868 0.018 0.000 0.917 745 T HN 0.611 nan 8.240 nan 0.000 0.484 746 Y N 1.196 121.510 120.300 0.023 0.000 2.705 746 Y HA 0.838 5.387 4.550 -0.001 0.000 0.332 746 Y C -1.688 174.248 175.900 0.060 0.000 1.157 746 Y CA -1.808 56.315 58.100 0.038 0.000 1.091 746 Y CB 1.184 39.666 38.460 0.037 0.000 1.301 746 Y HN 0.379 nan 8.280 nan 0.000 0.488 747 L N 1.938 123.301 121.223 0.234 0.000 2.362 747 L HA 0.871 5.211 4.340 -0.001 0.000 0.271 747 L C -0.753 176.293 176.870 0.293 0.000 1.002 747 L CA -1.378 53.584 54.840 0.203 0.000 0.818 747 L CB 2.124 44.377 42.059 0.323 0.000 1.298 747 L HN 0.920 nan 8.230 nan 0.000 0.420 748 A N 2.983 125.913 122.820 0.183 0.000 2.304 748 A HA 0.522 4.842 4.320 -0.001 0.000 0.314 748 A C -0.800 176.937 177.584 0.254 0.000 1.187 748 A CA -0.586 51.536 52.037 0.142 0.000 0.810 748 A CB 1.119 20.012 19.000 -0.178 0.000 1.183 748 A HN 0.638 nan 8.150 nan 0.000 0.487 749 K N 3.232 123.750 120.400 0.197 0.000 2.367 749 K HA 0.275 4.595 4.320 -0.001 0.000 0.263 749 K C -1.013 175.634 176.600 0.078 0.000 1.000 749 K CA -0.218 56.133 56.287 0.106 0.000 0.891 749 K CB 0.418 32.795 32.500 -0.205 0.000 1.117 749 K HN 0.879 nan 8.250 nan 0.000 0.443 750 N N 2.931 121.712 118.700 0.136 0.000 2.408 750 N HA 0.300 5.039 4.740 -0.001 0.000 0.280 750 N C -1.300 174.249 175.510 0.065 0.000 1.002 750 N CA -0.732 52.383 53.050 0.108 0.000 0.907 750 N CB 2.067 40.655 38.487 0.168 0.000 1.161 750 N HN 0.101 nan 8.380 nan 0.000 0.488 751 V N 2.703 122.635 119.914 0.031 0.000 2.656 751 V HA 0.434 4.554 4.120 -0.001 0.000 0.307 751 V C -0.737 175.367 176.094 0.016 0.000 1.051 751 V CA -0.775 61.537 62.300 0.021 0.000 0.893 751 V CB 2.066 33.889 31.823 0.000 0.000 0.999 751 V HN 0.449 nan 8.190 nan 0.000 0.426 752 L N 4.555 125.790 121.223 0.020 0.000 2.333 752 L HA 0.852 5.192 4.340 -0.001 0.000 0.280 752 L C 0.069 176.950 176.870 0.018 0.000 1.004 752 L CA 0.241 55.091 54.840 0.017 0.000 0.820 752 L CB 2.066 44.135 42.059 0.017 0.000 1.247 752 L HN 0.912 nan 8.230 nan 0.000 0.416 753 T N 0.178 114.740 114.554 0.013 0.000 2.848 753 T HA 0.626 4.976 4.350 -0.001 0.000 0.285 753 T C -0.463 174.243 174.700 0.011 0.000 0.995 753 T CA -0.877 61.231 62.100 0.012 0.000 0.970 753 T CB 1.283 70.155 68.868 0.007 0.000 0.976 753 T HN 0.612 nan 8.240 nan 0.000 0.441 754 D N 1.786 122.192 120.400 0.011 0.000 2.398 754 D HA 0.164 4.803 4.640 -0.001 0.000 0.247 754 D C 1.562 177.865 176.300 0.006 0.000 1.227 754 D CA -0.255 53.751 54.000 0.009 0.000 0.980 754 D CB 0.476 41.282 40.800 0.009 0.000 1.106 754 D HN 0.516 nan 8.370 nan 0.000 0.493 755 S N -0.955 114.748 115.700 0.004 0.000 2.493 755 S HA -0.207 4.263 4.470 -0.001 0.000 0.243 755 S C 1.635 176.236 174.600 0.002 0.000 0.991 755 S CA 0.936 59.137 58.200 0.002 0.000 0.957 755 S CB -0.885 62.315 63.200 0.001 0.000 0.756 755 S HN 0.597 nan 8.310 nan 0.000 0.521 756 S N 0.221 115.923 115.700 0.002 0.000 2.558 756 S HA 0.450 4.919 4.470 -0.001 0.000 0.217 756 S C 1.618 176.220 174.600 0.003 0.000 0.975 756 S CA 0.518 58.719 58.200 0.002 0.000 0.912 756 S CB -0.441 62.760 63.200 0.002 0.000 0.776 756 S HN 1.400 nan 8.310 nan 0.000 0.526 757 G N 1.109 109.911 108.800 0.004 0.000 2.175 757 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.244 757 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.244 757 G C -0.016 174.889 174.900 0.008 0.000 0.982 757 G CA 0.161 45.264 45.100 0.005 0.000 0.641 757 G HN 0.658 nan 8.290 nan 0.000 0.527 758 K N 1.316 121.721 120.400 0.009 0.000 2.412 758 K HA 0.256 4.576 4.320 -0.001 0.000 0.281 758 K C 0.478 177.087 176.600 0.016 0.000 1.027 758 K CA -0.135 56.160 56.287 0.012 0.000 0.989 758 K CB 0.320 32.827 32.500 0.012 0.000 0.935 758 K HN 0.420 nan 8.250 nan 0.000 0.475 759 E N 3.442 123.653 120.200 0.019 0.000 2.299 759 E HA 0.005 4.355 4.350 -0.001 0.000 0.272 759 E C 0.571 177.189 176.600 0.029 0.000 1.043 759 E CA -0.337 56.077 56.400 0.024 0.000 0.895 759 E CB 0.631 30.348 29.700 0.028 0.000 1.011 759 E HN 0.483 nan 8.360 nan 0.000 0.432 760 V N 0.889 120.823 119.914 0.032 0.000 3.570 760 V HA 0.295 4.414 4.120 -0.001 0.000 0.257 760 V C 0.444 176.571 176.094 0.055 0.000 1.272 760 V CA 0.158 62.481 62.300 0.038 0.000 1.079 760 V CB 0.896 32.739 31.823 0.033 0.000 0.829 760 V HN 0.379 nan 8.190 nan 0.000 0.454 761 S N 0.552 116.287 115.700 0.057 0.000 2.546 761 S HA 0.669 5.139 4.470 -0.001 0.000 0.272 761 S C -0.947 173.694 174.600 0.069 0.000 1.140 761 S CA -0.725 57.523 58.200 0.080 0.000 0.920 761 S CB 2.003 65.255 63.200 0.086 0.000 1.083 761 S HN 0.663 nan 8.310 nan 0.000 0.476 762 R N 3.187 123.741 120.500 0.090 0.000 2.534 762 R HA 0.569 4.909 4.340 -0.001 0.000 0.301 762 R C -1.683 174.693 176.300 0.127 0.000 0.961 762 R CA -0.564 55.593 56.100 0.096 0.000 0.871 762 R CB 1.052 31.411 30.300 0.099 0.000 1.170 762 R HN 0.586 nan 8.270 nan 0.000 0.446 763 N N 3.434 122.212 118.700 0.130 0.000 2.519 763 N HA 0.266 5.006 4.740 -0.001 0.000 0.286 763 N C -1.815 173.778 175.510 0.139 0.000 1.079 763 N CA -0.315 52.809 53.050 0.122 0.000 0.878 763 N CB 2.180 40.737 38.487 0.117 0.000 1.375 763 N HN 0.290 nan 8.380 nan 0.000 0.514 764 V N 4.271 124.267 119.914 0.136 0.000 2.459 764 V HA 0.480 4.600 4.120 -0.001 0.000 0.295 764 V C -0.872 175.290 176.094 0.114 0.000 1.029 764 V CA -0.482 61.985 62.300 0.278 0.000 0.874 764 V CB 0.839 32.965 31.823 0.505 0.000 0.985 764 V HN 0.469 nan 8.190 nan 0.000 0.438 765 Y N 2.826 123.229 120.300 0.172 0.000 2.393 765 Y HA 0.535 5.084 4.550 -0.001 0.000 0.341 765 Y C -0.171 175.738 175.900 0.016 0.000 0.988 765 Y CA -0.768 57.277 58.100 -0.091 0.000 1.078 765 Y CB 1.605 39.895 38.460 -0.283 0.000 1.203 765 Y HN 0.780 nan 8.280 nan 0.000 0.453 766 W N 4.443 125.784 121.300 0.068 0.000 2.316 766 W HA 0.781 5.441 4.660 -0.001 0.000 0.308 766 W C -1.800 174.620 176.519 -0.166 0.000 1.106 766 W CA -0.806 56.453 57.345 -0.144 0.000 1.262 766 W CB 0.165 29.508 29.460 -0.195 0.000 1.233 766 W HN 0.212 nan 8.180 nan 0.000 0.447 767 L N 3.065 124.069 121.223 -0.365 0.000 2.298 767 L HA 0.731 5.070 4.340 -0.001 0.000 0.268 767 L C 0.176 176.786 176.870 -0.433 0.000 1.010 767 L CA -1.194 53.324 54.840 -0.536 0.000 0.812 767 L CB 1.937 43.403 42.059 -0.989 0.000 1.331 767 L HN 0.545 nan 8.230 nan 0.000 0.450 768 S N -1.797 113.803 115.700 -0.166 0.000 2.548 768 S HA 0.320 4.789 4.470 -0.001 0.000 0.286 768 S C 0.578 175.320 174.600 0.236 0.000 1.098 768 S CA -0.193 58.043 58.200 0.060 0.000 0.930 768 S CB 1.717 64.939 63.200 0.037 0.000 1.070 768 S HN 0.753 nan 8.310 nan 0.000 0.480 769 T N 0.521 115.228 114.554 0.255 0.000 2.995 769 T HA 0.127 4.476 4.350 -0.001 0.000 0.269 769 T C 0.667 175.432 174.700 0.107 0.000 1.091 769 T CA 0.737 62.943 62.100 0.176 0.000 1.128 769 T CB -0.222 68.707 68.868 0.102 0.000 0.891 769 T HN 0.435 nan 8.240 nan 0.000 0.492 770 K N 1.913 122.369 120.400 0.093 0.000 2.262 770 K HA 0.590 4.909 4.320 -0.001 0.000 0.282 770 K C -0.292 176.348 176.600 0.066 0.000 1.066 770 K CA -0.588 55.742 56.287 0.071 0.000 0.901 770 K CB 0.723 33.264 32.500 0.068 0.000 1.089 770 K HN 0.321 nan 8.250 nan 0.000 0.476 771 A N 4.162 127.014 122.820 0.053 0.000 2.425 771 A HA 0.115 4.435 4.320 -0.001 0.000 0.249 771 A C -0.443 177.150 177.584 0.015 0.000 1.084 771 A CA -0.382 51.679 52.037 0.041 0.000 0.781 771 A CB 0.291 19.310 19.000 0.031 0.000 1.019 771 A HN 0.763 nan 8.150 nan 0.000 0.490 772 D N 1.647 122.049 120.400 0.003 0.000 2.348 772 D HA 0.391 5.030 4.640 -0.001 0.000 0.253 772 D C 0.397 176.642 176.300 -0.091 0.000 1.161 772 D CA 0.862 54.827 54.000 -0.058 0.000 0.876 772 D CB 1.065 41.842 40.800 -0.039 0.000 1.160 772 D HN 0.671 nan 8.370 nan 0.000 0.459 773 T N -0.592 113.860 114.554 -0.170 0.000 2.906 773 T HA 0.720 5.069 4.350 -0.001 0.000 0.295 773 T C -0.298 174.207 174.700 -0.325 0.000 1.075 773 T CA -0.921 61.066 62.100 -0.188 0.000 1.005 773 T CB 1.232 70.026 68.868 -0.124 0.000 1.136 773 T HN 0.116 nan 8.240 nan 0.000 0.498 774 L N 1.948 122.906 121.223 -0.441 0.000 2.346 774 L HA 0.538 4.878 4.340 -0.001 0.000 0.276 774 L C 0.042 176.544 176.870 -0.614 0.000 1.006 774 L CA -0.964 53.457 54.840 -0.698 0.000 0.817 774 L CB 1.734 42.998 42.059 -1.326 0.000 1.272 774 L HN 0.719 nan 8.230 nan 0.000 0.421 775 N N 1.474 119.908 118.700 -0.444 0.000 3.034 775 N HA 0.076 4.815 4.740 -0.001 0.000 0.265 775 N C 0.446 175.835 175.510 -0.201 0.000 1.166 775 N CA -0.094 52.809 53.050 -0.246 0.000 1.081 775 N CB 0.146 38.540 38.487 -0.156 0.000 1.378 775 N HN 0.503 nan 8.380 nan 0.000 0.520 776 W N 1.882 123.146 121.300 -0.060 0.000 2.333 776 W HA -0.050 4.610 4.660 -0.001 0.000 0.316 776 W C 2.338 178.822 176.519 -0.058 0.000 1.215 776 W CA 0.893 58.204 57.345 -0.057 0.000 1.278 776 W CB -0.496 28.937 29.460 -0.045 0.000 1.154 776 W HN 0.520 nan 8.180 nan 0.000 0.486 777 G N 0.195 109.109 108.800 0.189 0.000 2.507 777 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.221 777 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.221 777 G C 1.549 176.478 174.900 0.047 0.000 1.119 777 G CA 1.175 46.335 45.100 0.099 0.000 0.751 777 G HN 0.435 nan 8.290 nan 0.000 0.574 778 G N -0.070 108.732 108.800 0.003 0.000 3.233 778 G HA2 0.326 4.285 3.960 -0.001 0.000 0.227 778 G HA3 0.326 4.285 3.960 -0.001 0.000 0.227 778 G C 0.646 175.471 174.900 -0.125 0.000 1.175 778 G CA 0.200 45.272 45.100 -0.047 0.000 0.781 778 G HN 0.344 nan 8.290 nan 0.000 0.542 779 S N 1.038 116.678 115.700 -0.101 0.000 2.568 779 S HA 0.312 4.781 4.470 -0.001 0.000 0.282 779 S C 0.267 174.777 174.600 -0.149 0.000 1.338 779 S CA 0.002 58.092 58.200 -0.182 0.000 1.045 779 S CB 1.022 64.219 63.200 -0.005 0.000 0.873 779 S HN 0.656 nan 8.310 nan 0.000 0.516 780 D N 0.316 120.554 120.400 -0.270 0.000 2.666 780 D HA 0.275 4.914 4.640 -0.001 0.000 0.252 780 D C 1.361 177.626 176.300 -0.059 0.000 1.143 780 D CA -0.872 53.064 54.000 -0.107 0.000 1.096 780 D CB -0.290 40.459 40.800 -0.085 0.000 1.260 780 D HN 0.633 nan 8.370 nan 0.000 0.633 781 W N -0.055 121.294 121.300 0.082 0.000 2.425 781 W HA -0.114 4.546 4.660 -0.001 0.000 0.277 781 W C 0.932 177.649 176.519 0.330 0.000 1.231 781 W CA 0.913 58.380 57.345 0.204 0.000 1.248 781 W CB -1.253 28.360 29.460 0.255 0.000 1.117 781 W HN 0.537 nan 8.180 nan 0.000 0.568 782 Y N -0.857 119.313 120.300 -0.217 0.000 2.444 782 Y HA 0.396 4.945 4.550 -0.001 0.000 0.249 782 Y C -0.040 175.998 175.900 0.230 0.000 1.134 782 Y CA -1.034 57.066 58.100 -0.001 0.000 1.261 782 Y CB -0.884 37.220 38.460 -0.594 0.000 1.143 782 Y HN 0.020 nan 8.280 nan 0.000 0.523 783 Y N -1.804 118.247 120.300 -0.415 0.000 2.702 783 Y HA 0.683 5.232 4.550 -0.001 0.000 0.336 783 Y C -1.714 174.023 175.900 -0.272 0.000 1.203 783 Y CA -1.461 56.466 58.100 -0.289 0.000 1.072 783 Y CB 1.086 39.440 38.460 -0.177 0.000 1.327 783 Y HN -0.169 nan 8.280 nan 0.000 0.456 784 T N 5.106 119.299 114.554 -0.603 0.000 2.792 784 T HA 0.500 4.850 4.350 -0.001 0.000 0.280 784 T C -2.869 171.433 174.700 -0.662 0.000 0.990 784 T CA -1.468 60.277 62.100 -0.592 0.000 0.960 784 T CB 1.597 70.363 68.868 -0.171 0.000 0.939 784 T HN 0.469 nan 8.240 nan 0.000 0.439 785 P HA 0.288 nan 4.420 nan 0.000 0.278 785 P C -0.838 176.308 177.300 -0.255 0.000 1.266 785 P CA -0.723 62.221 63.100 -0.260 0.000 0.807 785 P CB 0.881 32.482 31.700 -0.165 0.000 1.094 786 Q N -0.305 119.371 119.800 -0.206 0.000 2.245 786 Q HA 0.262 4.601 4.340 -0.001 0.000 0.256 786 Q C 0.979 176.781 176.000 -0.330 0.000 0.942 786 Q CA -0.386 55.157 55.803 -0.434 0.000 0.896 786 Q CB 1.322 29.509 28.738 -0.917 0.000 1.272 786 Q HN 0.460 nan 8.270 nan 0.000 0.442 787 S N 0.373 115.894 115.700 -0.297 0.000 2.456 787 S HA 0.336 4.806 4.470 -0.001 0.000 0.224 787 S C 0.521 175.051 174.600 -0.117 0.000 1.035 787 S CA 0.150 58.259 58.200 -0.152 0.000 0.940 787 S CB 0.495 63.624 63.200 -0.119 0.000 0.799 787 S HN 0.591 nan 8.310 nan 0.000 0.508 788 A N 0.333 123.016 122.820 -0.228 0.000 2.572 788 A HA 0.755 5.075 4.320 -0.001 0.000 0.295 788 A C -1.686 175.723 177.584 -0.292 0.000 1.072 788 A CA -0.757 51.213 52.037 -0.112 0.000 0.691 788 A CB 0.919 19.907 19.000 -0.020 0.000 1.291 788 A HN 0.251 nan 8.150 nan 0.000 0.404 789 F N 1.049 121.004 119.950 0.009 0.000 2.495 789 F HA 0.643 5.170 4.527 -0.001 0.000 0.327 789 F C 0.956 176.760 175.800 0.006 0.000 1.103 789 F CA -0.132 57.876 58.000 0.013 0.000 0.949 789 F CB 2.038 41.043 39.000 0.010 0.000 1.142 789 F HN 0.827 nan 8.300 nan 0.000 0.457 790 A N 1.433 124.345 122.820 0.154 0.000 2.492 790 A HA 0.196 4.516 4.320 -0.001 0.000 0.236 790 A C -0.293 177.333 177.584 0.069 0.000 1.078 790 A CA 0.064 52.154 52.037 0.088 0.000 0.773 790 A CB 0.003 19.030 19.000 0.045 0.000 1.023 790 A HN 0.688 nan 8.150 nan 0.000 0.504 791 D N 1.480 121.899 120.400 0.031 0.000 2.462 791 D HA 0.426 5.066 4.640 -0.001 0.000 0.249 791 D C 0.054 176.332 176.300 -0.036 0.000 1.117 791 D CA -0.179 53.823 54.000 0.005 0.000 0.900 791 D CB 0.225 41.046 40.800 0.034 0.000 1.039 791 D HN 0.351 nan 8.370 nan 0.000 0.516 792 L N 2.052 123.196 121.223 -0.130 0.000 2.700 792 L HA 0.088 4.427 4.340 -0.001 0.000 0.234 792 L C 2.085 178.884 176.870 -0.118 0.000 1.156 792 L CA -0.022 54.714 54.840 -0.172 0.000 0.946 792 L CB 0.033 41.857 42.059 -0.392 0.000 1.216 792 L HN 0.254 nan 8.230 nan 0.000 0.493 793 S N -0.434 115.239 115.700 -0.046 0.000 2.474 793 S HA -0.098 4.371 4.470 -0.001 0.000 0.235 793 S C 2.140 176.776 174.600 0.059 0.000 0.997 793 S CA 0.764 58.985 58.200 0.036 0.000 0.949 793 S CB -0.583 62.642 63.200 0.042 0.000 0.766 793 S HN 0.450 nan 8.310 nan 0.000 0.517 794 G N 2.599 111.418 108.800 0.032 0.000 2.545 794 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.222 794 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.222 794 G C 1.318 176.253 174.900 0.058 0.000 1.126 794 G CA 1.194 46.319 45.100 0.041 0.000 0.754 794 G HN 0.569 nan 8.290 nan 0.000 0.583 795 L N 0.161 121.403 121.223 0.032 0.000 2.189 795 L HA -0.159 4.181 4.340 -0.001 0.000 0.214 795 L C 2.589 179.709 176.870 0.418 0.000 1.097 795 L CA 1.203 56.083 54.840 0.067 0.000 0.764 795 L CB -0.501 41.411 42.059 -0.244 0.000 0.900 795 L HN 0.242 nan 8.230 nan 0.000 0.436 796 N N -0.105 118.792 118.700 0.330 0.000 2.272 796 N HA -0.161 4.578 4.740 -0.001 0.000 0.185 796 N C 1.212 176.818 175.510 0.160 0.000 1.014 796 N CA 1.151 54.362 53.050 0.269 0.000 0.870 796 N CB -0.013 38.570 38.487 0.161 0.000 0.975 796 N HN 0.370 nan 8.380 nan 0.000 0.433 797 N N 0.042 118.824 118.700 0.137 0.000 2.184 797 N HA 0.045 4.785 4.740 -0.001 0.000 0.206 797 N C -0.329 175.229 175.510 0.079 0.000 1.151 797 N CA -0.265 52.834 53.050 0.081 0.000 0.878 797 N CB 0.363 38.883 38.487 0.056 0.000 1.014 797 N HN 0.135 nan 8.380 nan 0.000 0.512 798 L N 2.437 123.733 121.223 0.123 0.000 2.678 798 L HA 0.046 4.386 4.340 -0.001 0.000 0.285 798 L C 0.952 177.865 176.870 0.072 0.000 1.233 798 L CA 0.070 54.968 54.840 0.096 0.000 0.920 798 L CB -0.176 41.973 42.059 0.151 0.000 1.176 798 L HN 0.120 nan 8.230 nan 0.000 0.495 799 G N 4.541 113.358 108.800 0.028 0.000 2.614 799 G HA2 0.127 4.086 3.960 -0.001 0.000 0.239 799 G HA3 0.127 4.086 3.960 -0.001 0.000 0.239 799 G C -0.334 174.567 174.900 0.002 0.000 1.240 799 G CA -0.655 44.450 45.100 0.008 0.000 0.842 799 G HN 0.724 nan 8.290 nan 0.000 0.584 800 Q N -0.207 119.585 119.800 -0.014 0.000 2.337 800 Q HA 0.243 4.582 4.340 -0.001 0.000 0.270 800 Q C 0.482 176.464 176.000 -0.031 0.000 1.002 800 Q CA 0.083 55.870 55.803 -0.025 0.000 0.888 800 Q CB 1.488 30.203 28.738 -0.038 0.000 1.222 800 Q HN 0.483 nan 8.270 nan 0.000 0.400 801 S N 0.300 115.978 115.700 -0.036 0.000 2.841 801 S HA 0.902 5.372 4.470 -0.001 0.000 0.274 801 S C -1.335 173.237 174.600 -0.046 0.000 1.044 801 S CA 0.102 58.272 58.200 -0.050 0.000 0.952 801 S CB 1.359 64.513 63.200 -0.077 0.000 1.331 801 S HN 0.707 nan 8.310 nan 0.000 0.610 802 A N -0.353 122.438 122.820 -0.049 0.000 2.609 802 A HA 0.808 5.128 4.320 -0.001 0.000 0.291 802 A C -1.324 176.234 177.584 -0.043 0.000 1.096 802 A CA -0.407 51.605 52.037 -0.043 0.000 0.684 802 A CB 1.286 20.265 19.000 -0.034 0.000 1.282 802 A HN 1.483 nan 8.150 nan 0.000 0.412 803 V N -0.471 119.419 119.914 -0.040 0.000 3.023 803 V HA 0.722 4.842 4.120 -0.001 0.000 0.294 803 V C 0.123 176.198 176.094 -0.032 0.000 1.324 803 V CA 0.992 63.270 62.300 -0.037 0.000 0.979 803 V CB 1.832 33.626 31.823 -0.048 0.000 1.093 803 V HN 2.813 nan 8.190 nan 0.000 0.434 804 G N 3.774 112.560 108.800 -0.023 0.000 2.247 804 G HA2 0.479 4.439 3.960 -0.001 0.000 0.111 804 G HA3 0.479 4.439 3.960 -0.001 0.000 0.111 804 G C -0.142 174.750 174.900 -0.013 0.000 1.045 804 G CA -0.009 45.080 45.100 -0.017 0.000 0.715 804 G HN 2.074 nan 8.290 nan 0.000 0.485 805 A N -0.329 122.485 122.820 -0.010 0.000 2.414 805 A HA 0.967 5.287 4.320 -0.001 0.000 0.306 805 A C -0.271 177.316 177.584 0.006 0.000 1.054 805 A CA -0.168 51.867 52.037 -0.004 0.000 0.724 805 A CB 2.173 21.166 19.000 -0.010 0.000 1.267 805 A HN 0.843 nan 8.150 nan 0.000 0.418 806 T N 0.846 115.409 114.554 0.016 0.000 3.032 806 T HA 0.694 5.044 4.350 -0.001 0.000 0.312 806 T C -0.784 173.936 174.700 0.033 0.000 1.078 806 T CA 0.180 62.292 62.100 0.020 0.000 1.028 806 T CB 1.538 70.415 68.868 0.015 0.000 1.091 806 T HN 1.605 nan 8.240 nan 0.000 0.457 807 A N 3.561 126.402 122.820 0.035 0.000 2.393 807 A HA 0.842 5.162 4.320 -0.001 0.000 0.306 807 A C -0.769 176.836 177.584 0.036 0.000 1.050 807 A CA -0.771 51.294 52.037 0.048 0.000 0.724 807 A CB 1.296 20.335 19.000 0.066 0.000 1.248 807 A HN 0.740 nan 8.150 nan 0.000 0.424 808 N N 0.692 119.412 118.700 0.033 0.000 2.242 808 N HA 0.605 5.345 4.740 -0.001 0.000 0.292 808 N C -1.449 174.070 175.510 0.014 0.000 1.125 808 N CA -0.274 52.788 53.050 0.020 0.000 0.783 808 N CB 2.027 40.520 38.487 0.011 0.000 1.558 808 N HN 0.477 nan 8.380 nan 0.000 0.472 809 S N 1.106 116.809 115.700 0.005 0.000 2.561 809 S HA 0.409 4.878 4.470 -0.001 0.000 0.303 809 S C -0.676 173.901 174.600 -0.039 0.000 1.110 809 S CA -0.581 57.612 58.200 -0.013 0.000 1.034 809 S CB 1.728 64.938 63.200 0.017 0.000 1.010 809 S HN 0.319 nan 8.310 nan 0.000 0.482 810 V N 2.723 122.595 119.914 -0.070 0.000 2.370 810 V HA 0.627 4.747 4.120 -0.001 0.000 0.283 810 V C 0.229 176.258 176.094 -0.109 0.000 1.023 810 V CA -0.776 61.479 62.300 -0.074 0.000 0.857 810 V CB 1.258 33.042 31.823 -0.066 0.000 0.985 810 V HN 0.989 nan 8.190 nan 0.000 0.443 811 A N 4.502 127.269 122.820 -0.089 0.000 2.506 811 A HA 0.676 4.995 4.320 -0.001 0.000 0.320 811 A C 0.848 178.380 177.584 -0.086 0.000 1.424 811 A CA 0.130 52.107 52.037 -0.100 0.000 1.044 811 A CB -0.160 18.798 19.000 -0.071 0.000 1.140 811 A HN 0.992 nan 8.150 nan 0.000 0.538 812 G N 0.570 109.308 108.800 -0.103 0.000 2.684 812 G HA2 0.428 4.388 3.960 -0.001 0.000 0.255 812 G HA3 0.428 4.388 3.960 -0.001 0.000 0.255 812 G C 0.993 175.855 174.900 -0.062 0.000 1.219 812 G CA 0.093 45.145 45.100 -0.080 0.000 0.901 812 G HN 1.239 nan 8.290 nan 0.000 0.548 813 A N -0.571 122.220 122.820 -0.050 0.000 2.251 813 A HA 0.146 4.465 4.320 -0.001 0.000 0.209 813 A C 1.496 179.058 177.584 -0.037 0.000 1.187 813 A CA 1.329 53.343 52.037 -0.038 0.000 0.823 813 A CB -0.042 18.940 19.000 -0.030 0.000 0.846 813 A HN 0.578 nan 8.150 nan 0.000 0.486 814 D N -2.147 118.225 120.400 -0.046 0.000 2.342 814 D HA 0.287 4.927 4.640 -0.001 0.000 0.221 814 D C 1.114 177.386 176.300 -0.047 0.000 1.101 814 D CA 0.536 54.511 54.000 -0.042 0.000 0.837 814 D CB -0.519 40.254 40.800 -0.044 0.000 0.938 814 D HN 0.538 nan 8.370 nan 0.000 0.508 815 G N 0.259 109.027 108.800 -0.053 0.000 2.179 815 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.260 815 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.260 815 G C 0.458 175.309 174.900 -0.082 0.000 0.977 815 G CA 0.669 45.737 45.100 -0.054 0.000 0.641 815 G HN 0.824 nan 8.290 nan 0.000 0.533 816 T N -1.765 112.722 114.554 -0.111 0.000 2.925 816 T HA 0.702 5.052 4.350 -0.001 0.000 0.285 816 T C -0.170 174.374 174.700 -0.259 0.000 1.021 816 T CA 0.194 62.186 62.100 -0.180 0.000 1.042 816 T CB 2.530 71.299 68.868 -0.164 0.000 1.037 816 T HN 0.257 nan 8.240 nan 0.000 0.481 817 T N 2.176 116.450 114.554 -0.467 0.000 2.823 817 T HA 0.560 4.910 4.350 -0.001 0.000 0.279 817 T C -0.363 173.961 174.700 -0.628 0.000 0.998 817 T CA -0.493 61.277 62.100 -0.550 0.000 0.994 817 T CB 1.401 69.870 68.868 -0.664 0.000 0.960 817 T HN 0.770 nan 8.240 nan 0.000 0.448 818 T N 3.214 117.552 114.554 -0.360 0.000 2.772 818 T HA 0.419 4.768 4.350 -0.001 0.000 0.288 818 T C -0.041 174.560 174.700 -0.165 0.000 0.994 818 T CA -0.479 61.463 62.100 -0.263 0.000 0.951 818 T CB 0.865 69.635 68.868 -0.165 0.000 0.933 818 T HN 0.479 nan 8.240 nan 0.000 0.447 819 T N 3.787 118.281 114.554 -0.100 0.000 2.744 819 T HA 0.412 4.761 4.350 -0.001 0.000 0.291 819 T C 0.284 174.970 174.700 -0.024 0.000 0.957 819 T CA -0.393 61.704 62.100 -0.006 0.000 1.002 819 T CB 0.789 69.717 68.868 0.100 0.000 0.919 819 T HN 0.442 nan 8.240 nan 0.000 0.468 820 T N 2.991 117.553 114.554 0.014 0.000 2.829 820 T HA 0.557 4.907 4.350 -0.001 0.000 0.282 820 T C -0.612 174.139 174.700 0.085 0.000 0.990 820 T CA -0.527 61.600 62.100 0.045 0.000 1.028 820 T CB 1.369 70.251 68.868 0.024 0.000 0.951 820 T HN 0.457 nan 8.240 nan 0.000 0.460 821 V N 4.007 124.001 119.914 0.132 0.000 2.525 821 V HA 0.587 4.707 4.120 -0.001 0.000 0.299 821 V C -0.589 175.556 176.094 0.085 0.000 1.034 821 V CA -0.366 62.009 62.300 0.125 0.000 0.863 821 V CB 1.851 33.788 31.823 0.191 0.000 0.999 821 V HN 0.925 nan 8.190 nan 0.000 0.423 822 T N 8.742 123.327 114.554 0.052 0.000 2.749 822 T HA 0.622 4.972 4.350 -0.001 0.000 0.287 822 T C -0.331 174.380 174.700 0.019 0.000 0.970 822 T CA -0.127 61.993 62.100 0.034 0.000 0.980 822 T CB 0.770 69.654 68.868 0.027 0.000 0.924 822 T HN 0.595 nan 8.240 nan 0.000 0.456 823 L N 3.322 124.549 121.223 0.008 0.000 2.329 823 L HA 0.670 5.010 4.340 -0.001 0.000 0.279 823 L C 0.023 176.891 176.870 -0.003 0.000 1.014 823 L CA -0.882 53.952 54.840 -0.010 0.000 0.814 823 L CB 1.699 43.736 42.059 -0.037 0.000 1.257 823 L HN 0.458 nan 8.230 nan 0.000 0.424 824 K N 2.100 122.496 120.400 -0.005 0.000 2.507 824 K HA 0.264 4.583 4.320 -0.001 0.000 0.251 824 K C -0.879 175.718 176.600 -0.005 0.000 0.943 824 K CA -0.739 55.550 56.287 0.003 0.000 0.794 824 K CB 1.506 34.011 32.500 0.008 0.000 1.188 824 K HN 0.494 nan 8.250 nan 0.000 0.428 825 N N 2.948 121.649 118.700 0.000 0.000 2.416 825 N HA -0.033 4.706 4.740 -0.001 0.000 0.271 825 N C 0.112 175.618 175.510 -0.007 0.000 1.245 825 N CA 0.420 53.462 53.050 -0.014 0.000 0.940 825 N CB 1.016 39.493 38.487 -0.016 0.000 1.175 825 N HN 0.730 nan 8.380 nan 0.000 0.483 826 T N -0.802 113.743 114.554 -0.015 0.000 3.086 826 T HA 0.061 4.411 4.350 -0.001 0.000 0.250 826 T C 0.848 175.542 174.700 -0.011 0.000 1.074 826 T CA -0.409 61.686 62.100 -0.009 0.000 0.988 826 T CB -0.349 68.513 68.868 -0.010 0.000 0.988 826 T HN 0.414 nan 8.240 nan 0.000 0.530 827 S N 0.514 116.203 115.700 -0.019 0.000 2.576 827 S HA 0.474 4.944 4.470 -0.001 0.000 0.276 827 S C 1.308 175.902 174.600 -0.010 0.000 1.339 827 S CA -0.202 57.986 58.200 -0.021 0.000 1.039 827 S CB 1.086 64.264 63.200 -0.036 0.000 0.902 827 S HN 0.383 nan 8.310 nan 0.000 0.516 828 G N 1.288 110.084 108.800 -0.007 0.000 3.233 828 G HA2 0.494 4.453 3.960 -0.001 0.000 0.227 828 G HA3 0.494 4.453 3.960 -0.001 0.000 0.227 828 G C 0.491 175.394 174.900 0.004 0.000 1.175 828 G CA -0.062 45.038 45.100 0.001 0.000 0.781 828 G HN 1.000 nan 8.290 nan 0.000 0.542 829 G N -0.287 108.512 108.800 -0.002 0.000 2.890 829 G HA2 0.466 4.425 3.960 -0.001 0.000 0.189 829 G HA3 0.466 4.425 3.960 -0.001 0.000 0.189 829 G C 0.378 175.283 174.900 0.008 0.000 1.342 829 G CA -0.800 44.301 45.100 0.002 0.000 1.026 829 G HN 0.155 nan 8.290 nan 0.000 0.579 830 R N -1.101 119.404 120.500 0.009 0.000 2.509 830 R HA 0.317 4.657 4.340 -0.001 0.000 0.300 830 R C -0.137 176.137 176.300 -0.043 0.000 0.985 830 R CA -0.161 55.954 56.100 0.025 0.000 1.092 830 R CB 0.141 30.483 30.300 0.071 0.000 1.237 830 R HN 0.169 nan 8.270 nan 0.000 0.546 831 L N 3.074 124.240 121.223 -0.095 0.000 2.292 831 L HA 0.394 4.734 4.340 -0.001 0.000 0.284 831 L C -2.055 174.617 176.870 -0.330 0.000 1.065 831 L CA -2.190 52.539 54.840 -0.184 0.000 0.806 831 L CB 0.991 42.983 42.059 -0.112 0.000 1.175 831 L HN -0.182 nan 8.230 nan 0.000 0.431 832 P HA 0.108 nan 4.420 nan 0.000 0.275 832 P C -0.913 176.140 177.300 -0.411 0.000 1.228 832 P CA -0.524 62.061 63.100 -0.858 0.000 0.786 832 P CB 1.164 31.806 31.700 -1.764 0.000 0.927 833 A N 3.687 126.335 122.820 -0.286 0.000 2.437 833 A HA 0.326 4.645 4.320 -0.001 0.000 0.303 833 A C -0.535 177.001 177.584 -0.080 0.000 1.324 833 A CA -0.304 51.656 52.037 -0.128 0.000 0.983 833 A CB -1.167 17.776 19.000 -0.096 0.000 1.142 833 A HN 0.500 nan 8.150 nan 0.000 0.541 834 F N 3.279 123.124 119.950 -0.176 0.000 2.415 834 F HA 0.468 4.995 4.527 -0.001 0.000 0.348 834 F C -0.044 175.748 175.800 -0.014 0.000 1.119 834 F CA -1.092 56.818 58.000 -0.150 0.000 1.069 834 F CB 0.405 39.286 39.000 -0.199 0.000 1.124 834 F HN 0.650 nan 8.300 nan 0.000 0.472 835 Y N 4.007 123.826 120.300 -0.802 0.000 3.018 835 Y HA -0.171 4.378 4.550 -0.001 0.000 0.181 835 Y C -1.224 174.406 175.900 -0.450 0.000 1.542 835 Y CA 0.293 57.891 58.100 -0.838 0.000 0.975 835 Y CB -1.263 36.373 38.460 -1.374 0.000 1.379 835 Y HN 0.410 nan 8.280 nan 0.000 0.423 836 V N 3.933 123.588 119.914 -0.432 0.000 2.389 836 V HA 0.172 4.292 4.120 -0.001 0.000 0.264 836 V C 0.262 176.071 176.094 -0.475 0.000 1.049 836 V CA -0.230 61.865 62.300 -0.342 0.000 0.932 836 V CB 1.339 33.023 31.823 -0.232 0.000 1.011 836 V HN 0.433 nan 8.190 nan 0.000 0.475 837 D N 3.669 123.826 120.400 -0.406 0.000 2.329 837 D HA 0.338 4.978 4.640 -0.001 0.000 0.232 837 D C -0.350 175.748 176.300 -0.338 0.000 1.088 837 D CA -0.002 53.741 54.000 -0.428 0.000 0.835 837 D CB 1.605 42.255 40.800 -0.250 0.000 1.078 837 D HN 0.468 nan 8.370 nan 0.000 0.495 838 S N 3.588 118.991 115.700 -0.495 0.000 2.462 838 S HA 0.496 4.966 4.470 -0.001 0.000 0.294 838 S C -0.313 174.100 174.600 -0.312 0.000 1.144 838 S CA -0.845 57.107 58.200 -0.413 0.000 1.088 838 S CB 1.355 64.216 63.200 -0.566 0.000 1.009 838 S HN 0.242 nan 8.310 nan 0.000 0.484 839 K N 2.016 122.416 120.400 -0.001 0.000 2.397 839 K HA 0.413 4.733 4.320 -0.001 0.000 0.253 839 K C -1.024 175.709 176.600 0.220 0.000 0.932 839 K CA -0.713 55.677 56.287 0.172 0.000 0.795 839 K CB 1.892 34.432 32.500 0.067 0.000 1.159 839 K HN 0.363 nan 8.250 nan 0.000 0.424 840 V N 3.324 123.387 119.914 0.249 0.000 2.470 840 V HA 0.194 4.313 4.120 -0.001 0.000 0.276 840 V C 0.403 176.446 176.094 -0.086 0.000 1.040 840 V CA -0.512 61.783 62.300 -0.009 0.000 1.008 840 V CB 0.744 32.367 31.823 -0.333 0.000 0.990 840 V HN 0.561 nan 8.190 nan 0.000 0.477 841 V N 1.853 121.727 119.914 -0.067 0.000 3.102 841 V HA 0.815 4.935 4.120 -0.001 0.000 0.312 841 V C -0.455 175.601 176.094 -0.064 0.000 1.135 841 V CA -1.016 61.246 62.300 -0.063 0.000 1.022 841 V CB 2.158 33.964 31.823 -0.029 0.000 1.056 841 V HN 0.747 nan 8.190 nan 0.000 0.436 842 D N 1.136 121.502 120.400 -0.056 0.000 2.469 842 D HA 0.273 4.913 4.640 -0.001 0.000 0.278 842 D C 1.525 177.809 176.300 -0.026 0.000 1.231 842 D CA 0.268 54.245 54.000 -0.038 0.000 1.075 842 D CB 0.589 41.366 40.800 -0.038 0.000 1.121 842 D HN 0.836 nan 8.370 nan 0.000 0.571 843 S N -1.340 114.348 115.700 -0.020 0.000 2.419 843 S HA -0.093 4.377 4.470 -0.001 0.000 0.233 843 S C 1.811 176.399 174.600 -0.020 0.000 1.016 843 S CA 0.806 58.996 58.200 -0.016 0.000 0.974 843 S CB -0.837 62.355 63.200 -0.013 0.000 0.786 843 S HN 0.657 nan 8.310 nan 0.000 0.492 844 A N 0.486 123.291 122.820 -0.025 0.000 2.251 844 A HA 0.569 4.889 4.320 -0.001 0.000 0.209 844 A C 1.705 179.271 177.584 -0.031 0.000 1.187 844 A CA 0.502 52.522 52.037 -0.028 0.000 0.823 844 A CB -1.127 17.853 19.000 -0.033 0.000 0.846 844 A HN 1.571 nan 8.150 nan 0.000 0.486 845 G N -0.585 108.197 108.800 -0.030 0.000 2.143 845 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.248 845 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.248 845 G C 0.192 175.071 174.900 -0.035 0.000 0.991 845 G CA 0.461 45.543 45.100 -0.030 0.000 0.689 845 G HN 0.555 nan 8.290 nan 0.000 0.522 846 K N 0.921 121.296 120.400 -0.043 0.000 2.227 846 K HA 0.446 4.766 4.320 -0.001 0.000 0.280 846 K C -2.401 174.165 176.600 -0.055 0.000 1.041 846 K CA -2.047 54.209 56.287 -0.052 0.000 0.905 846 K CB 1.185 33.649 32.500 -0.060 0.000 1.068 846 K HN 0.010 nan 8.250 nan 0.000 0.470 847 P HA -0.038 nan 4.420 nan 0.000 0.266 847 P C -0.794 176.461 177.300 -0.076 0.000 1.195 847 P CA -0.271 62.800 63.100 -0.047 0.000 0.768 847 P CB 0.499 32.188 31.700 -0.019 0.000 0.838 848 V N 5.138 124.974 119.914 -0.129 0.000 2.408 848 V HA 0.249 4.368 4.120 -0.001 0.000 0.267 848 V C 0.408 176.423 176.094 -0.133 0.000 1.047 848 V CA 0.118 62.309 62.300 -0.181 0.000 0.937 848 V CB -0.249 31.345 31.823 -0.381 0.000 0.999 848 V HN 0.345 nan 8.190 nan 0.000 0.472 849 L N 7.198 128.386 121.223 -0.058 0.000 2.401 849 L HA 0.615 4.954 4.340 -0.001 0.000 0.266 849 L C -2.270 174.602 176.870 0.003 0.000 0.991 849 L CA -1.677 53.163 54.840 0.000 0.000 0.818 849 L CB 2.897 44.978 42.059 0.037 0.000 1.321 849 L HN 0.433 nan 8.230 nan 0.000 0.413 850 P HA 0.367 nan 4.420 nan 0.000 0.276 850 P C -1.230 176.144 177.300 0.123 0.000 1.261 850 P CA -0.429 62.710 63.100 0.065 0.000 0.800 850 P CB 2.408 34.055 31.700 -0.088 0.000 1.066 851 V N -0.452 119.587 119.914 0.209 0.000 3.087 851 V HA 0.379 4.498 4.120 -0.001 0.000 0.306 851 V C -1.507 174.601 176.094 0.023 0.000 1.187 851 V CA -0.579 61.757 62.300 0.061 0.000 0.999 851 V CB 2.352 34.144 31.823 -0.053 0.000 1.049 851 V HN 0.579 nan 8.190 nan 0.000 0.431 852 E N 4.585 124.737 120.200 -0.081 0.000 2.283 852 E HA 0.311 4.660 4.350 -0.001 0.000 0.258 852 E C -1.884 174.648 176.600 -0.113 0.000 0.893 852 E CA -0.277 56.093 56.400 -0.050 0.000 0.798 852 E CB 1.627 31.333 29.700 0.010 0.000 1.242 852 E HN 0.626 nan 8.360 nan 0.000 0.414 853 W N 2.845 124.157 121.300 0.020 0.000 2.449 853 W HA 0.161 4.820 4.660 -0.001 0.000 0.331 853 W C 1.754 178.281 176.519 0.014 0.000 1.119 853 W CA -0.522 56.836 57.345 0.022 0.000 1.240 853 W CB 0.641 30.111 29.460 0.016 0.000 1.251 853 W HN 0.495 nan 8.180 nan 0.000 0.576 854 N N 0.509 119.363 118.700 0.258 0.000 2.331 854 N HA -0.119 4.621 4.740 -0.001 0.000 0.180 854 N C -0.286 175.306 175.510 0.136 0.000 1.019 854 N CA 1.313 54.452 53.050 0.148 0.000 0.881 854 N CB 0.097 38.647 38.487 0.104 0.000 0.972 854 N HN 0.499 nan 8.380 nan 0.000 0.435 855 D N -1.787 118.714 120.400 0.167 0.000 2.648 855 D HA 0.441 5.080 4.640 -0.001 0.000 0.244 855 D C -1.786 174.444 176.300 -0.116 0.000 1.244 855 D CA -0.581 53.442 54.000 0.039 0.000 0.772 855 D CB 1.263 42.074 40.800 0.018 0.000 1.379 855 D HN 0.022 nan 8.370 nan 0.000 0.428 856 N N -0.055 118.446 118.700 -0.332 0.000 3.308 856 N HA 0.564 5.304 4.740 -0.001 0.000 0.276 856 N C -1.403 173.636 175.510 -0.785 0.000 1.533 856 N CA 0.344 52.959 53.050 -0.726 0.000 0.878 856 N CB 1.490 39.286 38.487 -1.151 0.000 1.566 856 N HN 0.929 nan 8.380 nan 0.000 0.546 857 A N -0.115 122.100 122.820 -1.009 0.000 2.466 857 A HA -0.109 4.210 4.320 -0.001 0.000 0.295 857 A C 0.261 177.455 177.584 -0.650 0.000 1.465 857 A CA 1.062 52.469 52.037 -1.050 0.000 0.744 857 A CB -2.440 15.853 19.000 -1.179 0.000 1.098 857 A HN 1.099 nan 8.150 nan 0.000 0.402 858 V N -2.218 117.417 119.914 -0.465 0.000 2.973 858 V HA 0.945 5.064 4.120 -0.001 0.000 0.314 858 V C 0.410 176.413 176.094 -0.152 0.000 1.066 858 V CA -0.168 61.998 62.300 -0.224 0.000 1.021 858 V CB 2.145 33.870 31.823 -0.164 0.000 1.076 858 V HN 1.057 nan 8.190 nan 0.000 0.462 859 S N 3.264 118.974 115.700 0.017 0.000 2.647 859 S HA 0.759 5.228 4.470 -0.001 0.000 0.300 859 S C -0.742 173.969 174.600 0.185 0.000 1.129 859 S CA -0.477 57.780 58.200 0.095 0.000 1.029 859 S CB 0.995 64.365 63.200 0.283 0.000 1.007 859 S HN 0.709 nan 8.310 nan 0.000 0.484 860 L N 2.501 123.769 121.223 0.075 0.000 2.365 860 L HA 0.571 4.911 4.340 -0.001 0.000 0.273 860 L C -0.439 176.489 176.870 0.097 0.000 1.000 860 L CA -0.633 54.305 54.840 0.162 0.000 0.819 860 L CB 1.281 43.381 42.059 0.069 0.000 1.284 860 L HN 0.521 nan 8.230 nan 0.000 0.418 861 W N 2.226 123.504 121.300 -0.036 0.000 2.303 861 W HA 0.281 4.941 4.660 -0.001 0.000 0.334 861 W C -2.057 174.439 176.519 -0.039 0.000 1.197 861 W CA -1.594 55.708 57.345 -0.071 0.000 1.262 861 W CB 1.387 30.781 29.460 -0.110 0.000 1.153 861 W HN 0.126 nan 8.180 nan 0.000 0.596 862 P HA -0.041 nan 4.420 nan 0.000 0.263 862 P C 0.651 177.999 177.300 0.081 0.000 1.175 862 P CA 2.244 65.377 63.100 0.055 0.000 0.761 862 P CB 0.265 31.988 31.700 0.039 0.000 0.794 863 G N 1.953 110.784 108.800 0.052 0.000 2.363 863 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.238 863 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.238 863 G C 0.152 175.085 174.900 0.055 0.000 1.062 863 G CA -0.193 44.937 45.100 0.050 0.000 0.629 863 G HN 0.568 nan 8.290 nan 0.000 0.514 864 E N 1.315 121.563 120.200 0.079 0.000 2.413 864 E HA 0.444 4.794 4.350 -0.001 0.000 0.263 864 E C -0.252 176.382 176.600 0.056 0.000 1.015 864 E CA 0.808 57.257 56.400 0.081 0.000 0.916 864 E CB 0.551 30.329 29.700 0.131 0.000 0.947 864 E HN 0.230 nan 8.360 nan 0.000 0.440 865 T N 1.712 116.295 114.554 0.048 0.000 2.861 865 T HA 0.374 4.724 4.350 -0.001 0.000 0.287 865 T C -0.508 174.212 174.700 0.034 0.000 1.003 865 T CA -0.557 61.563 62.100 0.033 0.000 0.977 865 T CB 1.935 70.819 68.868 0.027 0.000 0.996 865 T HN 0.296 nan 8.240 nan 0.000 0.448 866 T N 1.495 116.064 114.554 0.025 0.000 2.906 866 T HA 0.663 5.012 4.350 -0.001 0.000 0.295 866 T C -1.051 173.665 174.700 0.026 0.000 1.061 866 T CA -0.399 61.716 62.100 0.025 0.000 1.000 866 T CB 1.485 70.364 68.868 0.019 0.000 1.103 866 T HN 0.556 nan 8.240 nan 0.000 0.486 867 T N 4.066 118.641 114.554 0.036 0.000 2.792 867 T HA 0.647 4.997 4.350 -0.001 0.000 0.280 867 T C -0.706 174.039 174.700 0.075 0.000 0.990 867 T CA -0.512 61.617 62.100 0.050 0.000 0.960 867 T CB 0.496 69.389 68.868 0.042 0.000 0.939 867 T HN 0.377 nan 8.240 nan 0.000 0.439 868 L N 2.270 123.565 121.223 0.120 0.000 2.333 868 L HA 0.710 5.050 4.340 -0.001 0.000 0.269 868 L C 0.097 177.123 176.870 0.260 0.000 1.010 868 L CA -0.941 54.026 54.840 0.213 0.000 0.818 868 L CB 2.135 44.349 42.059 0.258 0.000 1.306 868 L HN 0.512 nan 8.230 nan 0.000 0.430 869 T N 1.392 116.092 114.554 0.242 0.000 2.812 869 T HA 0.681 5.031 4.350 -0.001 0.000 0.282 869 T C -0.571 174.040 174.700 -0.150 0.000 0.990 869 T CA -0.510 61.620 62.100 0.051 0.000 0.960 869 T CB 1.775 70.653 68.868 0.016 0.000 0.948 869 T HN 0.657 nan 8.240 nan 0.000 0.438 870 A N 3.335 125.850 122.820 -0.509 0.000 2.319 870 A HA 0.740 5.059 4.320 -0.001 0.000 0.310 870 A C -0.309 177.066 177.584 -0.349 0.000 1.152 870 A CA -0.819 50.672 52.037 -0.910 0.000 0.783 870 A CB 0.915 18.799 19.000 -1.861 0.000 1.184 870 A HN 0.734 nan 8.150 nan 0.000 0.474 871 K N 2.207 122.464 120.400 -0.239 0.000 2.182 871 K HA 0.728 5.048 4.320 -0.001 0.000 0.262 871 K C -1.284 175.319 176.600 0.004 0.000 0.957 871 K CA -0.441 55.749 56.287 -0.161 0.000 0.842 871 K CB 0.883 33.298 32.500 -0.141 0.000 1.099 871 K HN 0.828 nan 8.250 nan 0.000 0.438 872 Y N -1.072 119.142 120.300 -0.142 0.000 2.641 872 Y HA 0.397 4.946 4.550 -0.001 0.000 0.333 872 Y C -1.080 174.776 175.900 -0.073 0.000 1.174 872 Y CA -1.487 56.553 58.100 -0.100 0.000 1.057 872 Y CB 0.761 39.155 38.460 -0.110 0.000 1.322 872 Y HN 0.367 nan 8.280 nan 0.000 0.457 873 R N 1.199 121.749 120.500 0.084 0.000 2.449 873 R HA 0.139 4.479 4.340 -0.001 0.000 0.296 873 R C 0.454 176.783 176.300 0.048 0.000 1.047 873 R CA 0.713 56.822 56.100 0.015 0.000 1.018 873 R CB 0.804 31.121 30.300 0.028 0.000 0.962 873 R HN 0.965 nan 8.270 nan 0.000 0.428 874 T N 2.215 116.740 114.554 -0.049 0.000 2.759 874 T HA -0.231 4.118 4.350 -0.001 0.000 0.269 874 T C 1.780 176.503 174.700 0.038 0.000 1.042 874 T CA 1.761 63.846 62.100 -0.025 0.000 1.140 874 T CB 0.016 68.843 68.868 -0.067 0.000 0.864 874 T HN 0.745 nan 8.240 nan 0.000 0.455 875 A N 1.408 124.243 122.820 0.025 0.000 2.121 875 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 875 A C 1.875 179.481 177.584 0.036 0.000 1.154 875 A CA 1.065 53.116 52.037 0.024 0.000 0.679 875 A CB -0.301 18.705 19.000 0.010 0.000 0.795 875 A HN 0.280 nan 8.150 nan 0.000 0.458 876 D N -0.536 119.901 120.400 0.062 0.000 2.363 876 D HA 0.002 4.642 4.640 -0.001 0.000 0.226 876 D C 1.272 177.597 176.300 0.042 0.000 1.020 876 D CA 0.242 54.273 54.000 0.051 0.000 0.892 876 D CB 0.199 41.038 40.800 0.064 0.000 0.900 876 D HN 0.230 nan 8.370 nan 0.000 0.531 877 L N 0.509 121.775 121.223 0.071 0.000 2.240 877 L HA 0.027 4.366 4.340 -0.001 0.000 0.211 877 L C 0.893 177.773 176.870 0.018 0.000 1.106 877 L CA 0.824 55.693 54.840 0.048 0.000 0.793 877 L CB -0.466 41.647 42.059 0.090 0.000 0.927 877 L HN -0.049 nan 8.230 nan 0.000 0.446 878 K N -0.298 120.113 120.400 0.018 0.000 3.035 878 K HA -0.242 4.077 4.320 -0.001 0.000 0.262 878 K C 1.035 177.638 176.600 0.005 0.000 1.024 878 K CA 0.352 56.643 56.287 0.006 0.000 0.748 878 K CB -1.765 30.733 32.500 -0.004 0.000 1.247 878 K HN 0.536 nan 8.250 nan 0.000 0.482 879 G N -1.070 107.736 108.800 0.011 0.000 2.234 879 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.235 879 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.235 879 G C 0.184 175.089 174.900 0.008 0.000 0.997 879 G CA 0.221 45.325 45.100 0.007 0.000 0.623 879 G HN 0.581 nan 8.290 nan 0.000 0.514 880 S N 0.571 116.277 115.700 0.009 0.000 2.579 880 S HA 0.518 4.988 4.470 -0.001 0.000 0.275 880 S C 0.757 175.368 174.600 0.018 0.000 1.345 880 S CA 0.331 58.535 58.200 0.007 0.000 1.031 880 S CB 0.459 63.658 63.200 -0.002 0.000 0.892 880 S HN 0.447 nan 8.310 nan 0.000 0.529 881 K N 3.242 123.650 120.400 0.014 0.000 2.295 881 K HA 0.337 4.656 4.320 -0.001 0.000 0.270 881 K C -2.311 174.306 176.600 0.028 0.000 1.011 881 K CA -1.440 54.860 56.287 0.022 0.000 0.953 881 K CB 0.249 32.758 32.500 0.014 0.000 0.956 881 K HN 0.476 nan 8.250 nan 0.000 0.477 882 P HA 0.132 nan 4.420 nan 0.000 0.280 882 P C -0.944 176.375 177.300 0.031 0.000 1.244 882 P CA -0.346 62.784 63.100 0.050 0.000 0.784 882 P CB 1.495 33.272 31.700 0.127 0.000 0.913 883 S N 0.861 116.569 115.700 0.013 0.000 2.715 883 S HA 0.612 5.081 4.470 -0.001 0.000 0.307 883 S C -0.531 174.087 174.600 0.031 0.000 1.119 883 S CA -0.687 57.524 58.200 0.019 0.000 0.937 883 S CB 1.462 64.666 63.200 0.007 0.000 1.150 883 S HN 0.222 nan 8.310 nan 0.000 0.521 884 V N 1.770 121.712 119.914 0.046 0.000 2.444 884 V HA 0.493 4.612 4.120 -0.001 0.000 0.294 884 V C -0.080 176.034 176.094 0.033 0.000 1.022 884 V CA -0.707 61.637 62.300 0.073 0.000 0.850 884 V CB 1.440 33.333 31.823 0.117 0.000 0.992 884 V HN 0.713 nan 8.190 nan 0.000 0.426 885 R N 4.351 124.865 120.500 0.023 0.000 2.297 885 R HA 0.698 5.038 4.340 -0.001 0.000 0.308 885 R C -1.223 175.055 176.300 -0.035 0.000 1.029 885 R CA -0.440 55.655 56.100 -0.009 0.000 0.929 885 R CB 0.871 31.163 30.300 -0.013 0.000 1.046 885 R HN 0.706 nan 8.270 nan 0.000 0.461 886 I N 3.052 123.591 120.570 -0.052 0.000 2.448 886 I HA 0.204 4.374 4.170 -0.001 0.000 0.281 886 I C -0.861 175.204 176.117 -0.085 0.000 1.027 886 I CA -0.297 60.953 61.300 -0.083 0.000 1.111 886 I CB 2.125 40.080 38.000 -0.075 0.000 1.236 886 I HN 0.509 nan 8.210 nan 0.000 0.452 887 S N 3.766 119.406 115.700 -0.101 0.000 2.519 887 S HA 0.745 5.214 4.470 -0.001 0.000 0.309 887 S C 0.073 174.616 174.600 -0.095 0.000 1.100 887 S CA -0.751 57.397 58.200 -0.086 0.000 1.059 887 S CB 1.885 65.045 63.200 -0.066 0.000 1.008 887 S HN 0.735 nan 8.310 nan 0.000 0.478 888 G N 0.934 109.686 108.800 -0.079 0.000 2.441 888 G HA2 0.412 4.371 3.960 -0.001 0.000 0.334 888 G HA3 0.412 4.371 3.960 -0.001 0.000 0.334 888 G C 0.422 175.323 174.900 0.003 0.000 1.161 888 G CA -0.896 44.173 45.100 -0.051 0.000 0.935 888 G HN 0.772 nan 8.290 nan 0.000 0.488 889 W N 1.936 123.153 121.300 -0.139 0.000 2.315 889 W HA -0.166 4.493 4.660 -0.001 0.000 0.323 889 W C 0.939 177.421 176.519 -0.062 0.000 1.233 889 W CA 1.960 59.233 57.345 -0.120 0.000 1.267 889 W CB 0.199 29.567 29.460 -0.153 0.000 1.160 889 W HN 0.634 nan 8.180 nan 0.000 0.474 890 N N -0.207 118.579 118.700 0.143 0.000 2.389 890 N HA -0.007 4.733 4.740 -0.001 0.000 0.260 890 N C 0.274 175.774 175.510 -0.017 0.000 1.191 890 N CA 0.898 53.970 53.050 0.037 0.000 0.885 890 N CB -0.494 38.098 38.487 0.176 0.000 1.162 890 N HN 0.099 nan 8.380 nan 0.000 0.512 891 T N -4.837 109.689 114.554 -0.046 0.000 3.144 891 T HA 0.451 4.801 4.350 -0.001 0.000 0.290 891 T C 0.888 175.545 174.700 -0.072 0.000 0.966 891 T CA 0.248 62.314 62.100 -0.056 0.000 0.907 891 T CB 0.166 69.003 68.868 -0.053 0.000 1.152 891 T HN 0.384 nan 8.240 nan 0.000 0.532 892 G N 1.413 110.156 108.800 -0.095 0.000 2.601 892 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.261 892 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.261 892 G C -0.424 174.425 174.900 -0.084 0.000 1.289 892 G CA -0.095 44.947 45.100 -0.096 0.000 0.920 892 G HN 0.903 nan 8.290 nan 0.000 0.571 893 T N 1.192 115.702 114.554 -0.073 0.000 2.916 893 T HA 0.645 4.994 4.350 -0.001 0.000 0.298 893 T C -0.205 174.464 174.700 -0.052 0.000 1.031 893 T CA 0.122 62.183 62.100 -0.064 0.000 0.993 893 T CB 1.761 70.591 68.868 -0.064 0.000 1.045 893 T HN 0.994 nan 8.240 nan 0.000 0.454 894 Q N 0.141 119.913 119.800 -0.047 0.000 2.421 894 Q HA 0.769 5.108 4.340 -0.001 0.000 0.280 894 Q C -1.112 174.870 176.000 -0.030 0.000 1.085 894 Q CA -1.117 54.664 55.803 -0.036 0.000 0.807 894 Q CB 2.081 30.799 28.738 -0.034 0.000 1.405 894 Q HN 0.588 nan 8.270 nan 0.000 0.419 895 T N -0.797 113.744 114.554 -0.023 0.000 2.807 895 T HA 0.632 4.982 4.350 -0.001 0.000 0.279 895 T C -0.194 174.501 174.700 -0.008 0.000 0.993 895 T CA -0.390 61.701 62.100 -0.014 0.000 0.970 895 T CB 1.320 70.180 68.868 -0.014 0.000 0.950 895 T HN 0.831 nan 8.240 nan 0.000 0.441 896 V N 1.740 121.655 119.914 0.001 0.000 2.769 896 V HA 0.900 5.020 4.120 -0.001 0.000 0.312 896 V C -2.740 173.362 176.094 0.013 0.000 1.058 896 V CA -2.855 59.448 62.300 0.006 0.000 0.952 896 V CB 1.510 33.338 31.823 0.008 0.000 1.019 896 V HN 0.836 nan 8.190 nan 0.000 0.445 897 P HA 0.387 nan 4.420 nan 0.000 0.274 897 P C -0.167 177.147 177.300 0.024 0.000 1.237 897 P CA -0.140 62.969 63.100 0.015 0.000 0.793 897 P CB 1.735 33.441 31.700 0.010 0.000 0.977 898 A N -0.816 122.022 122.820 0.030 0.000 2.603 898 A HA 0.587 4.906 4.320 -0.001 0.000 0.277 898 A C 0.445 178.049 177.584 0.032 0.000 1.158 898 A CA 0.842 52.903 52.037 0.039 0.000 0.962 898 A CB -0.491 18.543 19.000 0.057 0.000 1.189 898 A HN 0.730 nan 8.150 nan 0.000 0.552 899 D N 0.000 120.413 120.400 0.022 0.000 6.856 899 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 899 D CA 0.000 nan 54.000 nan 0.000 0.868 899 D CB 0.000 nan 40.800 nan 0.000 0.688 899 D HN 0.000 nan 8.370 nan 0.000 0.683