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 3k4l_1_A DATA FIRST_RESID 46 DATA SEQUENCE KYDVVIVGSG PIGCTYAREL VGAGYKVAMF DIGEIDSGLK IGAHKKNTVE DATA SEQUENCE YQKNIDKFVN VIQGQLMSVS VPVNTLVVDT LSPTSWQAST FFVRNGSNPE DATA SEQUENCE QDPLRNLSGQ AVTRVVGGMS THWTCATPRF DREQRPLLVK DDADADDAEW DATA SEQUENCE DRLYTKAESY FQTGTDQFKE SIRHNLVLNK LTEEYKGQRD FQQIPLAATR DATA SEQUENCE RSPTFVEWSS ANTVFDLQNR PNTDAPEERF NLFPAVACER VVRNALNSEI DATA SEQUENCE ESLHIHDLIS GDRFEIKADV YVLTAGAVHN TQLLVNSGFG QLGRPNPANP DATA SEQUENCE PELLPSLGSY ITEQSLVFCQ TVMSTELIDS VKSDMTIRGT PGELTYSVTY DATA SEQUENCE TPGASTNKHP DWWNEKVKNH MMQHQEDPLP IPFEDPEPQV TTLFQPSHPW DATA SEQUENCE HTQIHRDANX XXXXXQSIDS RLIVDWRFFG RTEPKEENKL WFSDKITDAY DATA SEQUENCE NMPQPTFDFR FPAGRTSKEA EDMMTDMCVM SAKIGGFLPG SLPQFMEPGL DATA SEQUENCE VLHLGGTHRM GFDEKEDNCC VNTDSRVFGF KNLFLGGCGN IPTAYGANPT DATA SEQUENCE LTAMSLAIKS CEYIKQNFTP SPF 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 46 K HA 0.000 nan 4.320 nan 0.000 0.191 46 K C 0.000 176.347 176.600 -0.421 0.000 0.988 46 K CA 0.000 56.170 56.287 -0.195 0.000 0.838 46 K CB 0.000 32.438 32.500 -0.103 0.000 1.064 47 Y N 1.535 121.835 120.300 -0.000 0.000 2.605 47 Y HA 0.320 4.870 4.550 0.000 0.000 0.343 47 Y C 0.648 176.538 175.900 -0.018 0.000 1.036 47 Y CA -0.709 57.388 58.100 -0.005 0.000 1.065 47 Y CB 1.990 40.447 38.460 -0.005 0.000 1.288 47 Y HN 0.639 nan 8.280 nan 0.000 0.481 48 D N 0.178 120.682 120.400 0.174 0.000 2.103 48 D HA 0.020 4.660 4.640 -0.000 0.000 0.199 48 D C -0.282 176.030 176.300 0.021 0.000 0.978 48 D CA 1.466 55.549 54.000 0.139 0.000 0.829 48 D CB 0.250 41.212 40.800 0.270 0.000 0.981 48 D HN 0.114 nan 8.370 nan 0.000 0.464 49 V N 1.176 121.095 119.914 0.010 0.000 2.638 49 V HA 0.378 4.498 4.120 -0.000 0.000 0.306 49 V C -0.249 175.764 176.094 -0.135 0.000 1.052 49 V CA -1.073 61.141 62.300 -0.144 0.000 0.885 49 V CB 2.404 34.120 31.823 -0.177 0.000 0.999 49 V HN -0.013 nan 8.190 nan 0.000 0.424 50 V N 2.951 122.735 119.914 -0.217 0.000 2.459 50 V HA 0.739 4.859 4.120 -0.000 0.000 0.295 50 V C -0.582 175.462 176.094 -0.084 0.000 1.029 50 V CA -0.565 61.664 62.300 -0.117 0.000 0.874 50 V CB 1.605 33.423 31.823 -0.007 0.000 0.985 50 V HN 0.690 nan 8.190 nan 0.000 0.438 51 I N 4.428 124.973 120.570 -0.042 0.000 2.406 51 I HA 0.473 4.643 4.170 -0.000 0.000 0.290 51 I C -0.554 175.595 176.117 0.053 0.000 0.999 51 I CA -0.947 60.318 61.300 -0.058 0.000 1.124 51 I CB 2.215 40.164 38.000 -0.084 0.000 1.289 51 I HN 0.433 nan 8.210 nan 0.000 0.441 52 V N 5.499 125.427 119.914 0.024 0.000 2.334 52 V HA 0.764 4.884 4.120 -0.000 0.000 0.267 52 V C 0.473 176.576 176.094 0.016 0.000 1.040 52 V CA -0.293 62.041 62.300 0.058 0.000 0.866 52 V CB 0.442 32.272 31.823 0.011 0.000 1.019 52 V HN 1.070 nan 8.190 nan 0.000 0.468 53 G N 3.879 112.703 108.800 0.040 0.000 3.069 53 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 53 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 53 G C -0.052 174.865 174.900 0.028 0.000 1.161 53 G CA -0.255 44.859 45.100 0.024 0.000 0.804 53 G HN 1.253 nan 8.290 nan 0.000 0.608 54 S N 1.158 116.878 115.700 0.033 0.000 2.588 54 S HA 0.604 5.074 4.470 -0.000 0.000 0.245 54 S C 1.320 175.932 174.600 0.021 0.000 1.021 54 S CA 0.716 58.943 58.200 0.044 0.000 1.006 54 S CB 0.587 63.825 63.200 0.064 0.000 0.830 54 S HN 1.904 nan 8.310 nan 0.000 0.468 55 G N 2.689 111.490 108.800 0.002 0.000 2.570 55 G HA2 0.382 4.342 3.960 -0.000 0.000 0.276 55 G HA3 0.382 4.342 3.960 -0.000 0.000 0.276 55 G C -1.156 173.719 174.900 -0.040 0.000 1.346 55 G CA -1.195 43.886 45.100 -0.032 0.000 1.034 55 G HN 0.265 nan 8.290 nan 0.000 0.512 56 P HA -0.053 nan 4.420 nan 0.000 0.221 56 P C 1.719 178.965 177.300 -0.090 0.000 1.150 56 P CA 0.719 63.764 63.100 -0.091 0.000 0.800 56 P CB 0.183 31.838 31.700 -0.075 0.000 0.787 57 I N 0.298 120.851 120.570 -0.029 0.000 2.277 57 I HA -0.031 4.139 4.170 -0.000 0.000 0.243 57 I C 2.726 178.908 176.117 0.108 0.000 1.094 57 I CA 1.459 62.777 61.300 0.029 0.000 1.393 57 I CB -2.334 35.710 38.000 0.073 0.000 1.078 57 I HN -0.004 nan 8.210 nan 0.000 0.417 58 G N 0.236 109.077 108.800 0.068 0.000 2.442 58 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 58 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 58 G C 1.764 176.672 174.900 0.013 0.000 1.141 58 G CA 1.095 46.227 45.100 0.054 0.000 0.763 58 G HN 0.419 nan 8.290 nan 0.000 0.554 59 C N 0.581 119.861 119.300 -0.033 0.000 2.432 59 C HA 0.050 4.510 4.460 -0.000 0.000 0.282 59 C C 3.172 178.041 174.990 -0.201 0.000 1.388 59 C CA 1.339 60.295 59.018 -0.103 0.000 1.777 59 C CB -0.933 26.786 27.740 -0.034 0.000 1.882 59 C HN 0.457 nan 8.230 nan 0.000 0.520 60 T N -0.046 114.414 114.554 -0.157 0.000 2.737 60 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 60 T C 1.457 176.010 174.700 -0.244 0.000 1.038 60 T CA 1.541 63.517 62.100 -0.206 0.000 1.144 60 T CB -0.399 68.365 68.868 -0.173 0.000 0.866 60 T HN 0.554 nan 8.240 nan 0.000 0.434 61 Y N 1.561 121.729 120.300 -0.219 0.000 2.165 61 Y HA -0.068 4.482 4.550 -0.000 0.000 0.286 61 Y C 2.776 178.472 175.900 -0.341 0.000 1.155 61 Y CA 0.983 58.934 58.100 -0.247 0.000 1.164 61 Y CB -0.664 37.670 38.460 -0.210 0.000 0.978 61 Y HN 0.197 nan 8.280 nan 0.000 0.513 62 A N 0.120 122.764 122.820 -0.294 0.000 1.877 62 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 62 A C 2.164 179.200 177.584 -0.914 0.000 1.186 62 A CA 1.949 53.569 52.037 -0.694 0.000 0.620 62 A CB -0.689 17.647 19.000 -1.107 0.000 0.822 62 A HN 0.386 nan 8.150 nan 0.000 0.443 63 R N 0.234 120.264 120.500 -0.783 0.000 2.080 63 R HA -0.154 4.186 4.340 -0.000 0.000 0.236 63 R C 1.989 178.096 176.300 -0.322 0.000 1.137 63 R CA 2.171 57.960 56.100 -0.519 0.000 0.943 63 R CB -0.501 29.485 30.300 -0.523 0.000 0.846 63 R HN 0.558 nan 8.270 nan 0.000 0.431 64 E N 0.163 120.207 120.200 -0.260 0.000 2.051 64 E HA -0.169 4.180 4.350 -0.000 0.000 0.192 64 E C 2.080 178.622 176.600 -0.097 0.000 0.991 64 E CA 1.672 57.991 56.400 -0.134 0.000 0.799 64 E CB -0.127 29.480 29.700 -0.155 0.000 0.748 64 E HN 0.429 nan 8.360 nan 0.000 0.449 65 L N 0.147 121.280 121.223 -0.150 0.000 2.202 65 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 65 L C 2.529 179.448 176.870 0.082 0.000 1.083 65 L CA 0.203 54.999 54.840 -0.074 0.000 0.790 65 L CB -0.227 41.677 42.059 -0.259 0.000 0.942 65 L HN -0.062 nan 8.230 nan 0.000 0.452 66 V N 0.639 120.514 119.914 -0.065 0.000 2.343 66 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 66 V C 2.602 178.738 176.094 0.070 0.000 1.051 66 V CA 2.102 64.415 62.300 0.021 0.000 1.036 66 V CB -1.231 30.537 31.823 -0.091 0.000 0.654 66 V HN 0.569 nan 8.190 nan 0.000 0.451 67 G N -0.671 108.141 108.800 0.020 0.000 2.471 67 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.219 67 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.219 67 G C 1.369 176.301 174.900 0.054 0.000 1.125 67 G CA 0.800 45.922 45.100 0.036 0.000 0.775 67 G HN 0.641 nan 8.290 nan 0.000 0.548 68 A N -0.616 122.268 122.820 0.107 0.000 2.345 68 A HA 0.523 4.843 4.320 -0.000 0.000 0.225 68 A C 1.785 179.394 177.584 0.041 0.000 1.243 68 A CA 1.078 53.188 52.037 0.122 0.000 0.875 68 A CB -0.249 18.899 19.000 0.247 0.000 0.929 68 A HN 1.472 nan 8.150 nan 0.000 0.502 69 G N -2.054 106.781 108.800 0.059 0.000 2.159 69 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 69 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 69 G C -0.099 174.779 174.900 -0.037 0.000 0.986 69 G CA 0.047 45.137 45.100 -0.016 0.000 0.651 69 G HN 0.384 nan 8.290 nan 0.000 0.523 70 Y N 0.480 120.817 120.300 0.062 0.000 2.304 70 Y HA 0.480 5.030 4.550 0.000 0.000 0.327 70 Y C 1.053 177.011 175.900 0.096 0.000 1.209 70 Y CA -0.189 57.950 58.100 0.065 0.000 1.299 70 Y CB 0.894 39.371 38.460 0.028 0.000 1.249 70 Y HN 0.054 nan 8.280 nan 0.000 0.519 71 K N 2.999 123.547 120.400 0.246 0.000 2.262 71 K HA 0.365 4.685 4.320 -0.000 0.000 0.288 71 K C -1.542 175.217 176.600 0.264 0.000 1.090 71 K CA -0.095 56.324 56.287 0.220 0.000 0.918 71 K CB -0.087 32.498 32.500 0.143 0.000 1.139 71 K HN 0.483 nan 8.250 nan 0.000 0.462 72 V N 3.356 123.406 119.914 0.227 0.000 2.459 72 V HA 0.546 4.666 4.120 -0.000 0.000 0.295 72 V C -0.194 175.828 176.094 -0.121 0.000 1.029 72 V CA -0.933 61.432 62.300 0.108 0.000 0.874 72 V CB 1.396 33.321 31.823 0.169 0.000 0.985 72 V HN 0.863 nan 8.190 nan 0.000 0.438 73 A N 5.900 128.469 122.820 -0.417 0.000 2.337 73 A HA 0.933 5.253 4.320 -0.000 0.000 0.329 73 A C -0.600 176.635 177.584 -0.582 0.000 1.146 73 A CA -0.609 50.950 52.037 -0.797 0.000 0.800 73 A CB 1.486 19.655 19.000 -1.385 0.000 1.220 73 A HN 0.910 nan 8.150 nan 0.000 0.472 74 M N 2.204 121.372 119.600 -0.720 0.000 2.464 74 M HA 0.760 5.239 4.480 -0.000 0.000 0.308 74 M C -2.155 173.792 176.300 -0.588 0.000 1.127 74 M CA -0.462 54.595 55.300 -0.405 0.000 0.913 74 M CB 1.350 33.896 32.600 -0.090 0.000 1.689 74 M HN 0.599 nan 8.290 nan 0.000 0.445 75 F N 1.970 121.919 119.950 -0.001 0.000 2.508 75 F HA 0.565 5.092 4.527 -0.001 0.000 0.325 75 F C -0.200 175.605 175.800 0.008 0.000 1.090 75 F CA -0.548 57.475 58.000 0.037 0.000 0.945 75 F CB 1.550 40.560 39.000 0.016 0.000 1.156 75 F HN 0.458 nan 8.300 nan 0.000 0.463 76 D N 2.376 122.876 120.400 0.167 0.000 2.738 76 D HA 0.252 4.892 4.640 -0.000 0.000 0.237 76 D C 0.385 176.717 176.300 0.053 0.000 1.123 76 D CA -0.359 53.689 54.000 0.079 0.000 0.856 76 D CB 2.639 43.466 40.800 0.045 0.000 1.552 76 D HN 0.658 nan 8.370 nan 0.000 0.480 77 I N 1.687 122.240 120.570 -0.030 0.000 2.761 77 I HA 0.098 4.268 4.170 -0.000 0.000 0.261 77 I C 1.094 177.175 176.117 -0.059 0.000 1.198 77 I CA 0.640 61.876 61.300 -0.106 0.000 1.482 77 I CB 0.150 37.964 38.000 -0.311 0.000 1.100 77 I HN 0.329 nan 8.210 nan 0.000 0.445 78 G N 0.062 108.846 108.800 -0.026 0.000 2.537 78 G HA2 0.394 4.354 3.960 -0.000 0.000 0.297 78 G HA3 0.394 4.354 3.960 -0.000 0.000 0.297 78 G C -0.868 174.055 174.900 0.039 0.000 1.310 78 G CA -0.422 44.689 45.100 0.017 0.000 1.027 78 G HN 0.317 nan 8.290 nan 0.000 0.505 79 E N -1.393 118.836 120.200 0.048 0.000 2.281 79 E HA 0.382 4.731 4.350 -0.000 0.000 0.262 79 E C -0.474 176.155 176.600 0.047 0.000 0.933 79 E CA -0.753 55.676 56.400 0.049 0.000 0.809 79 E CB 2.538 32.270 29.700 0.052 0.000 1.242 79 E HN 0.262 nan 8.360 nan 0.000 0.418 80 I N 2.544 123.140 120.570 0.043 0.000 2.517 80 I HA 0.014 4.184 4.170 -0.000 0.000 0.285 80 I C -0.177 175.972 176.117 0.053 0.000 1.106 80 I CA 0.662 61.989 61.300 0.044 0.000 1.402 80 I CB 0.186 38.207 38.000 0.034 0.000 1.399 80 I HN 0.565 nan 8.210 nan 0.000 0.535 81 D N 2.620 123.058 120.400 0.064 0.000 3.285 81 D HA 0.010 4.650 4.640 -0.000 0.000 0.314 81 D C -0.201 176.159 176.300 0.100 0.000 1.601 81 D CA -0.306 53.739 54.000 0.076 0.000 0.772 81 D CB -0.260 40.584 40.800 0.073 0.000 1.312 81 D HN 0.236 nan 8.370 nan 0.000 0.550 82 S N 0.015 115.776 115.700 0.102 0.000 2.651 82 S HA 0.645 5.115 4.470 -0.000 0.000 0.246 82 S C 0.947 175.622 174.600 0.124 0.000 1.039 82 S CA -0.045 58.234 58.200 0.132 0.000 1.013 82 S CB 0.861 64.143 63.200 0.135 0.000 0.861 82 S HN 0.885 nan 8.310 nan 0.000 0.485 83 G N 1.632 110.492 108.800 0.099 0.000 2.568 83 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.222 83 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.222 83 G C 0.297 175.233 174.900 0.060 0.000 1.321 83 G CA -0.294 44.855 45.100 0.081 0.000 0.893 83 G HN 0.301 nan 8.290 nan 0.000 0.569 84 L N 0.239 121.490 121.223 0.048 0.000 2.291 84 L HA 0.104 4.444 4.340 -0.000 0.000 0.214 84 L C 1.536 178.420 176.870 0.023 0.000 1.120 84 L CA 0.998 55.856 54.840 0.029 0.000 0.799 84 L CB -0.330 41.740 42.059 0.019 0.000 0.925 84 L HN 0.318 nan 8.230 nan 0.000 0.446 85 K N 1.747 122.170 120.400 0.038 0.000 2.250 85 K HA 0.311 4.631 4.320 -0.000 0.000 0.285 85 K C -0.309 176.316 176.600 0.042 0.000 1.097 85 K CA -0.194 56.113 56.287 0.033 0.000 0.913 85 K CB 0.663 33.197 32.500 0.056 0.000 1.179 85 K HN 0.097 nan 8.250 nan 0.000 0.462 86 I N 1.851 122.431 120.570 0.016 0.000 2.533 86 I HA -0.037 4.133 4.170 -0.000 0.000 0.284 86 I C 1.352 177.490 176.117 0.035 0.000 1.109 86 I CA 0.703 62.017 61.300 0.025 0.000 1.412 86 I CB 0.558 38.564 38.000 0.009 0.000 1.396 86 I HN 0.936 nan 8.210 nan 0.000 0.543 87 G N 4.278 113.111 108.800 0.055 0.000 2.143 87 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.248 87 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.248 87 G C 0.331 175.284 174.900 0.087 0.000 0.991 87 G CA 0.059 45.195 45.100 0.060 0.000 0.689 87 G HN 0.964 nan 8.290 nan 0.000 0.522 88 A N -0.330 122.558 122.820 0.115 0.000 2.296 88 A HA 0.597 4.917 4.320 -0.000 0.000 0.264 88 A C 0.625 178.344 177.584 0.225 0.000 1.097 88 A CA -0.270 51.873 52.037 0.177 0.000 0.811 88 A CB 0.238 19.344 19.000 0.176 0.000 1.072 88 A HN 0.625 nan 8.150 nan 0.000 0.495 89 H N 0.560 119.770 119.070 0.234 0.000 2.929 89 H HA 0.072 4.628 4.556 -0.001 0.000 0.317 89 H C 0.762 176.232 175.328 0.237 0.000 1.031 89 H CA 0.791 56.994 56.048 0.258 0.000 1.466 89 H CB 0.733 30.666 29.762 0.285 0.000 1.482 89 H HN 0.668 nan 8.280 nan 0.000 0.561 90 K N 3.564 124.206 120.400 0.403 0.000 2.439 90 K HA -0.098 4.221 4.320 -0.000 0.000 0.197 90 K C 1.634 178.536 176.600 0.502 0.000 1.041 90 K CA 0.623 57.194 56.287 0.474 0.000 0.970 90 K CB 0.380 33.160 32.500 0.467 0.000 0.773 90 K HN 0.406 nan 8.250 nan 0.000 0.479 91 K N 0.896 121.474 120.400 0.296 0.000 2.459 91 K HA 0.019 4.339 4.320 -0.000 0.000 0.193 91 K C 0.333 176.969 176.600 0.060 0.000 1.030 91 K CA 0.290 56.390 56.287 -0.312 0.000 1.026 91 K CB 0.299 32.141 32.500 -1.097 0.000 0.809 91 K HN -0.021 nan 8.250 nan 0.000 0.504 92 N N 1.832 120.680 118.700 0.248 0.000 2.623 92 N HA -0.018 4.722 4.740 -0.000 0.000 0.263 92 N C -0.806 174.989 175.510 0.474 0.000 1.218 92 N CA 0.275 53.519 53.050 0.323 0.000 0.949 92 N CB 0.621 39.323 38.487 0.359 0.000 1.270 92 N HN 0.247 nan 8.380 nan 0.000 0.507 93 T N -4.262 110.546 114.554 0.423 0.000 2.895 93 T HA 0.326 4.676 4.350 -0.000 0.000 0.283 93 T C 1.541 176.480 174.700 0.399 0.000 1.014 93 T CA -0.776 61.539 62.100 0.358 0.000 1.037 93 T CB 1.679 70.687 68.868 0.234 0.000 1.006 93 T HN -0.182 nan 8.240 nan 0.000 0.468 94 V N 1.431 121.521 119.914 0.294 0.000 2.380 94 V HA -0.141 3.979 4.120 -0.000 0.000 0.251 94 V C 2.796 178.985 176.094 0.158 0.000 1.063 94 V CA 2.444 64.892 62.300 0.246 0.000 1.055 94 V CB -0.999 30.874 31.823 0.083 0.000 0.657 94 V HN 1.045 nan 8.190 nan 0.000 0.455 95 E N -0.505 119.730 120.200 0.058 0.000 2.106 95 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 95 E C 2.002 178.577 176.600 -0.042 0.000 0.984 95 E CA 1.520 57.891 56.400 -0.049 0.000 0.806 95 E CB -0.320 29.277 29.700 -0.172 0.000 0.750 95 E HN 0.662 nan 8.360 nan 0.000 0.458 96 Y N 0.830 121.218 120.300 0.147 0.000 2.263 96 Y HA -0.007 4.542 4.550 -0.001 0.000 0.292 96 Y C 2.154 178.104 175.900 0.083 0.000 1.130 96 Y CA 1.268 59.450 58.100 0.136 0.000 1.179 96 Y CB -0.183 38.376 38.460 0.165 0.000 0.998 96 Y HN 0.161 nan 8.280 nan 0.000 0.532 97 Q N -0.165 119.767 119.800 0.220 0.000 2.369 97 Q HA -0.113 4.226 4.340 -0.000 0.000 0.206 97 Q C 1.513 177.587 176.000 0.123 0.000 0.963 97 Q CA 0.824 56.703 55.803 0.127 0.000 0.894 97 Q CB -0.035 28.726 28.738 0.039 0.000 0.965 97 Q HN 0.457 nan 8.270 nan 0.000 0.475 98 K N 0.175 120.650 120.400 0.125 0.000 2.393 98 K HA 0.079 4.399 4.320 -0.000 0.000 0.193 98 K C 0.271 176.923 176.600 0.085 0.000 1.026 98 K CA 0.245 56.586 56.287 0.090 0.000 1.064 98 K CB 0.541 33.082 32.500 0.069 0.000 0.833 98 K HN 0.066 nan 8.250 nan 0.000 0.521 99 N N 0.772 119.545 118.700 0.123 0.000 2.651 99 N HA 0.044 4.784 4.740 -0.000 0.000 0.277 99 N C -0.061 175.576 175.510 0.212 0.000 1.787 99 N CA 0.071 53.203 53.050 0.137 0.000 0.818 99 N CB 0.881 39.440 38.487 0.121 0.000 1.316 99 N HN -0.012 nan 8.380 nan 0.000 0.503 100 I N 1.847 122.515 120.570 0.164 0.000 2.493 100 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 100 I C 2.048 178.256 176.117 0.152 0.000 1.160 100 I CA 1.363 62.761 61.300 0.164 0.000 1.445 100 I CB 0.065 38.117 38.000 0.086 0.000 1.086 100 I HN 0.256 nan 8.210 nan 0.000 0.433 101 D N 0.352 120.823 120.400 0.119 0.000 2.203 101 D HA -0.284 4.356 4.640 -0.000 0.000 0.199 101 D C 1.470 177.836 176.300 0.110 0.000 0.997 101 D CA 1.293 55.349 54.000 0.094 0.000 0.863 101 D CB -0.470 40.374 40.800 0.073 0.000 0.928 101 D HN 0.325 nan 8.370 nan 0.000 0.458 102 K N -0.637 119.871 120.400 0.179 0.000 2.418 102 K HA 0.011 4.331 4.320 -0.000 0.000 0.195 102 K C 1.669 178.354 176.600 0.141 0.000 1.035 102 K CA -0.203 56.201 56.287 0.196 0.000 1.003 102 K CB -0.340 32.343 32.500 0.306 0.000 0.793 102 K HN 0.207 nan 8.250 nan 0.000 0.494 103 F N 1.375 121.292 119.950 -0.057 0.000 2.407 103 F HA -0.123 4.404 4.527 0.001 0.000 0.299 103 F C 2.009 177.696 175.800 -0.187 0.000 1.097 103 F CA 0.362 58.175 58.000 -0.311 0.000 1.422 103 F CB -0.103 38.691 39.000 -0.343 0.000 1.067 103 F HN -0.244 nan 8.300 nan 0.000 0.539 104 V N 0.841 120.688 119.914 -0.111 0.000 2.380 104 V HA -0.374 3.746 4.120 -0.000 0.000 0.251 104 V C 1.740 177.690 176.094 -0.240 0.000 1.063 104 V CA 2.823 65.030 62.300 -0.154 0.000 1.055 104 V CB -0.626 31.152 31.823 -0.075 0.000 0.657 104 V HN 0.473 nan 8.190 nan 0.000 0.455 105 N N -0.506 118.072 118.700 -0.203 0.000 2.188 105 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 105 N C 1.679 177.028 175.510 -0.268 0.000 1.018 105 N CA 1.509 54.453 53.050 -0.176 0.000 0.858 105 N CB -0.287 38.152 38.487 -0.080 0.000 0.989 105 N HN 0.419 nan 8.380 nan 0.000 0.426 106 V N 1.442 121.079 119.914 -0.462 0.000 2.255 106 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 106 V C 2.074 177.854 176.094 -0.524 0.000 1.051 106 V CA 1.564 63.526 62.300 -0.564 0.000 1.018 106 V CB -0.594 30.591 31.823 -1.064 0.000 0.641 106 V HN 0.288 nan 8.190 nan 0.000 0.445 107 I N -0.310 119.861 120.570 -0.667 0.000 2.091 107 I HA -0.372 3.798 4.170 -0.000 0.000 0.239 107 I C 2.751 178.637 176.117 -0.384 0.000 1.061 107 I CA 1.983 62.948 61.300 -0.559 0.000 1.317 107 I CB -0.510 37.216 38.000 -0.457 0.000 1.031 107 I HN 0.351 nan 8.210 nan 0.000 0.401 108 Q N 0.297 119.931 119.800 -0.276 0.000 2.135 108 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 108 Q C 2.279 178.197 176.000 -0.135 0.000 0.981 108 Q CA 1.564 57.261 55.803 -0.177 0.000 0.856 108 Q CB -0.493 28.165 28.738 -0.134 0.000 0.902 108 Q HN 0.685 nan 8.270 nan 0.000 0.425 109 G N 1.085 109.799 108.800 -0.143 0.000 2.509 109 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 109 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 109 G C 0.960 175.823 174.900 -0.061 0.000 1.124 109 G CA 0.686 45.734 45.100 -0.087 0.000 0.776 109 G HN 0.489 nan 8.290 nan 0.000 0.547 110 Q N -0.646 119.103 119.800 -0.085 0.000 2.110 110 Q HA 0.417 4.757 4.340 -0.000 0.000 0.232 110 Q C -0.346 175.650 176.000 -0.006 0.000 0.810 110 Q CA -0.287 55.505 55.803 -0.020 0.000 1.083 110 Q CB 0.144 28.897 28.738 0.024 0.000 1.193 110 Q HN 0.242 nan 8.270 nan 0.000 0.471 111 L N 2.003 123.199 121.223 -0.045 0.000 2.277 111 L HA 0.514 4.854 4.340 -0.000 0.000 0.284 111 L C -0.904 175.976 176.870 0.017 0.000 1.028 111 L CA -0.785 54.050 54.840 -0.009 0.000 0.835 111 L CB 1.176 43.200 42.059 -0.057 0.000 1.215 111 L HN 0.198 nan 8.230 nan 0.000 0.425 112 M N 2.085 121.720 119.600 0.058 0.000 2.129 112 M HA 0.263 4.743 4.480 -0.000 0.000 0.348 112 M C 0.259 176.603 176.300 0.073 0.000 1.116 112 M CA -0.012 55.328 55.300 0.066 0.000 1.022 112 M CB 1.558 34.217 32.600 0.097 0.000 1.599 112 M HN 0.308 nan 8.290 nan 0.000 0.449 113 S N 1.995 117.725 115.700 0.050 0.000 2.546 113 S HA 0.091 4.561 4.470 -0.000 0.000 0.290 113 S C 1.522 176.161 174.600 0.065 0.000 1.290 113 S CA -0.615 57.615 58.200 0.049 0.000 1.069 113 S CB 0.538 63.754 63.200 0.027 0.000 0.846 113 S HN 0.585 nan 8.310 nan 0.000 0.495 114 V N 2.562 122.525 119.914 0.082 0.000 2.307 114 V HA -0.025 4.095 4.120 -0.000 0.000 0.245 114 V C 1.233 177.322 176.094 -0.008 0.000 1.045 114 V CA 1.506 63.840 62.300 0.058 0.000 1.024 114 V CB -0.095 31.797 31.823 0.115 0.000 0.651 114 V HN 0.802 nan 8.190 nan 0.000 0.449 115 S N -0.590 115.126 115.700 0.026 0.000 2.737 115 S HA 0.499 4.969 4.470 -0.000 0.000 0.269 115 S C -1.116 173.486 174.600 0.004 0.000 1.150 115 S CA -0.457 57.725 58.200 -0.031 0.000 1.077 115 S CB 1.389 64.528 63.200 -0.101 0.000 1.075 115 S HN 0.009 nan 8.310 nan 0.000 0.476 116 V N 7.831 127.735 119.914 -0.016 0.000 2.347 116 V HA 0.556 4.676 4.120 -0.000 0.000 0.280 116 V C -1.940 174.139 176.094 -0.025 0.000 1.021 116 V CA -1.769 60.523 62.300 -0.014 0.000 0.847 116 V CB 1.471 33.286 31.823 -0.013 0.000 0.990 116 V HN 0.684 nan 8.190 nan 0.000 0.444 117 P HA 0.189 nan 4.420 nan 0.000 0.274 117 P C -0.227 177.053 177.300 -0.034 0.000 1.246 117 P CA -0.202 62.882 63.100 -0.027 0.000 0.795 117 P CB 0.921 32.607 31.700 -0.024 0.000 1.006 118 V N 2.275 122.173 119.914 -0.028 0.000 2.599 118 V HA -0.034 4.086 4.120 -0.000 0.000 0.300 118 V C 1.276 177.331 176.094 -0.065 0.000 1.034 118 V CA 0.172 62.453 62.300 -0.032 0.000 1.115 118 V CB -0.745 31.079 31.823 0.002 0.000 0.934 118 V HN 0.609 nan 8.190 nan 0.000 0.485 119 N N 3.717 122.371 118.700 -0.077 0.000 2.470 119 N HA 0.085 4.825 4.740 -0.000 0.000 0.268 119 N C 0.633 176.017 175.510 -0.210 0.000 1.136 119 N CA 0.448 53.432 53.050 -0.111 0.000 0.961 119 N CB 1.533 39.976 38.487 -0.073 0.000 1.067 119 N HN 0.876 nan 8.380 nan 0.000 0.468 120 T N 0.876 115.193 114.554 -0.396 0.000 3.252 120 T HA 0.264 4.614 4.350 -0.000 0.000 0.286 120 T C 0.783 175.003 174.700 -0.800 0.000 1.013 120 T CA -0.427 61.061 62.100 -1.020 0.000 0.914 120 T CB -0.440 67.899 68.868 -0.881 0.000 1.131 120 T HN 0.280 nan 8.240 nan 0.000 0.529 121 L N 2.165 123.194 121.223 -0.323 0.000 2.455 121 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 121 L C 0.064 176.958 176.870 0.040 0.000 1.174 121 L CA -0.568 54.198 54.840 -0.123 0.000 0.869 121 L CB 0.847 42.876 42.059 -0.050 0.000 1.130 121 L HN 0.092 nan 8.230 nan 0.000 0.474 122 V N 4.976 124.936 119.914 0.077 0.000 2.406 122 V HA 0.162 4.282 4.120 -0.000 0.000 0.272 122 V C 0.158 176.318 176.094 0.110 0.000 1.043 122 V CA -0.488 61.921 62.300 0.182 0.000 0.915 122 V CB 1.469 33.386 31.823 0.157 0.000 0.988 122 V HN 0.406 nan 8.190 nan 0.000 0.466 123 V N 5.392 125.376 119.914 0.117 0.000 2.294 123 V HA 0.338 4.458 4.120 -0.000 0.000 0.272 123 V C 0.274 176.402 176.094 0.058 0.000 1.027 123 V CA -0.422 61.922 62.300 0.074 0.000 0.823 123 V CB 1.206 33.073 31.823 0.073 0.000 1.030 123 V HN 1.051 nan 8.190 nan 0.000 0.457 124 D N 2.040 122.466 120.400 0.043 0.000 2.501 124 D HA -0.006 4.634 4.640 -0.000 0.000 0.224 124 D C 1.176 177.487 176.300 0.019 0.000 1.202 124 D CA 0.263 54.279 54.000 0.026 0.000 0.829 124 D CB 0.416 41.231 40.800 0.025 0.000 1.023 124 D HN 0.549 nan 8.370 nan 0.000 0.499 125 T N -1.527 113.040 114.554 0.023 0.000 3.243 125 T HA 0.326 4.676 4.350 -0.000 0.000 0.264 125 T C 0.722 175.435 174.700 0.022 0.000 1.000 125 T CA -0.576 61.535 62.100 0.019 0.000 0.901 125 T CB -0.396 68.483 68.868 0.019 0.000 1.083 125 T HN 0.027 nan 8.240 nan 0.000 0.559 126 L N 1.985 123.222 121.223 0.024 0.000 2.461 126 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 126 L C 1.155 178.037 176.870 0.019 0.000 1.197 126 L CA -0.502 54.355 54.840 0.028 0.000 0.836 126 L CB 0.429 42.507 42.059 0.033 0.000 1.105 126 L HN 0.271 nan 8.230 nan 0.000 0.477 127 S N 2.379 118.093 115.700 0.023 0.000 2.558 127 S HA 0.072 4.542 4.470 -0.000 0.000 0.288 127 S C -1.359 173.247 174.600 0.011 0.000 1.318 127 S CA -1.002 57.209 58.200 0.018 0.000 1.056 127 S CB 0.767 63.981 63.200 0.023 0.000 0.853 127 S HN 0.416 nan 8.310 nan 0.000 0.505 128 P HA -0.100 nan 4.420 nan 0.000 0.220 128 P C 1.344 178.643 177.300 -0.002 0.000 1.144 128 P CA 1.447 64.543 63.100 -0.007 0.000 0.800 128 P CB -0.202 31.494 31.700 -0.008 0.000 0.772 129 T N -5.691 108.871 114.554 0.013 0.000 3.067 129 T HA 0.080 4.430 4.350 -0.000 0.000 0.261 129 T C 1.016 175.745 174.700 0.049 0.000 1.110 129 T CA 0.098 62.214 62.100 0.026 0.000 1.113 129 T CB -0.591 68.295 68.868 0.029 0.000 0.917 129 T HN -0.093 nan 8.240 nan 0.000 0.499 130 S N 1.475 117.208 115.700 0.055 0.000 2.549 130 S HA 0.285 4.755 4.470 -0.000 0.000 0.279 130 S C -0.532 174.141 174.600 0.123 0.000 1.321 130 S CA -0.999 57.262 58.200 0.101 0.000 1.054 130 S CB 0.129 63.384 63.200 0.091 0.000 0.899 130 S HN 0.588 nan 8.310 nan 0.000 0.497 131 W N 3.061 124.369 121.300 0.013 0.000 2.223 131 W HA 0.169 4.828 4.660 -0.003 0.000 0.334 131 W C 0.072 176.605 176.519 0.023 0.000 1.334 131 W CA 0.383 57.735 57.345 0.012 0.000 1.246 131 W CB 0.398 29.865 29.460 0.011 0.000 1.184 131 W HN 0.367 nan 8.180 nan 0.000 0.563 132 Q N 4.186 123.569 119.800 -0.696 0.000 2.289 132 Q HA 0.472 4.812 4.340 -0.000 0.000 0.270 132 Q C -0.413 174.846 176.000 -1.234 0.000 1.038 132 Q CA -0.677 54.754 55.803 -0.620 0.000 0.812 132 Q CB 1.898 30.473 28.738 -0.271 0.000 1.300 132 Q HN 0.618 nan 8.270 nan 0.000 0.427 133 A N 1.139 123.499 122.820 -0.766 0.000 2.296 133 A HA 0.450 4.770 4.320 -0.000 0.000 0.264 133 A C 0.628 178.042 177.584 -0.284 0.000 1.097 133 A CA 0.001 51.770 52.037 -0.447 0.000 0.811 133 A CB 0.404 19.563 19.000 0.266 0.000 1.072 133 A HN 0.697 nan 8.150 nan 0.000 0.495 134 S N -0.843 114.730 115.700 -0.213 0.000 2.540 134 S HA 0.199 4.669 4.470 -0.000 0.000 0.218 134 S C 0.480 174.964 174.600 -0.194 0.000 0.977 134 S CA 0.530 58.609 58.200 -0.201 0.000 0.918 134 S CB -0.171 62.931 63.200 -0.162 0.000 0.806 134 S HN 1.126 nan 8.310 nan 0.000 0.496 135 T N -1.353 113.113 114.554 -0.146 0.000 2.841 135 T HA 0.641 4.991 4.350 -0.000 0.000 0.296 135 T C -0.924 173.668 174.700 -0.180 0.000 1.166 135 T CA -0.739 61.271 62.100 -0.150 0.000 1.007 135 T CB 0.669 69.563 68.868 0.042 0.000 1.253 135 T HN -0.080 nan 8.240 nan 0.000 0.511 136 F N 3.098 123.124 119.950 0.126 0.000 2.605 136 F HA 0.380 4.907 4.527 0.001 0.000 0.352 136 F C 0.504 176.345 175.800 0.069 0.000 1.236 136 F CA -1.739 56.299 58.000 0.064 0.000 1.267 136 F CB -0.989 38.019 39.000 0.013 0.000 1.632 136 F HN 0.568 nan 8.300 nan 0.000 0.639 137 F N -0.547 119.498 119.950 0.158 0.000 2.390 137 F HA 0.580 5.108 4.527 0.003 0.000 0.307 137 F C -0.130 175.741 175.800 0.118 0.000 1.227 137 F CA -1.568 56.505 58.000 0.122 0.000 1.179 137 F CB -0.137 38.924 39.000 0.101 0.000 1.280 137 F HN -0.167 nan 8.300 nan 0.000 0.548 138 V N 3.323 123.347 119.914 0.183 0.000 2.455 138 V HA 0.359 4.479 4.120 -0.000 0.000 0.273 138 V C 0.176 176.272 176.094 0.003 0.000 1.045 138 V CA -0.406 61.928 62.300 0.056 0.000 0.976 138 V CB -0.288 31.600 31.823 0.109 0.000 0.993 138 V HN 0.930 nan 8.190 nan 0.000 0.475 139 R N 3.328 123.749 120.500 -0.132 0.000 2.734 139 R HA 0.455 4.795 4.340 -0.000 0.000 0.271 139 R C -0.460 175.797 176.300 -0.073 0.000 1.021 139 R CA -0.917 55.108 56.100 -0.125 0.000 0.893 139 R CB 0.901 30.969 30.300 -0.387 0.000 1.244 139 R HN 0.444 nan 8.270 nan 0.000 0.464 140 N N -0.293 118.388 118.700 -0.033 0.000 2.721 140 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 140 N C 0.758 176.258 175.510 -0.017 0.000 1.072 140 N CA 1.913 54.950 53.050 -0.022 0.000 0.710 140 N CB -1.252 37.216 38.487 -0.032 0.000 0.993 140 N HN 1.141 nan 8.380 nan 0.000 0.547 141 G N -2.127 106.668 108.800 -0.008 0.000 2.176 141 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.253 141 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.253 141 G C 0.220 175.115 174.900 -0.008 0.000 0.979 141 G CA 0.749 45.846 45.100 -0.004 0.000 0.641 141 G HN 1.313 nan 8.290 nan 0.000 0.530 142 S N -0.273 115.417 115.700 -0.016 0.000 2.585 142 S HA 0.477 4.947 4.470 -0.000 0.000 0.273 142 S C 0.125 174.717 174.600 -0.015 0.000 1.339 142 S CA 0.074 58.262 58.200 -0.020 0.000 1.028 142 S CB 1.766 64.948 63.200 -0.031 0.000 0.906 142 S HN 0.648 nan 8.310 nan 0.000 0.528 143 N N 2.579 121.262 118.700 -0.027 0.000 2.462 143 N HA 0.333 5.072 4.740 -0.000 0.000 0.242 143 N C -1.516 173.978 175.510 -0.026 0.000 1.010 143 N CA -2.520 50.505 53.050 -0.040 0.000 0.939 143 N CB 1.073 39.506 38.487 -0.090 0.000 1.127 143 N HN 0.391 nan 8.380 nan 0.000 0.509 144 P HA -0.055 nan 4.420 nan 0.000 0.230 144 P C 0.256 177.578 177.300 0.036 0.000 1.158 144 P CA 0.864 63.981 63.100 0.028 0.000 0.769 144 P CB 0.555 32.286 31.700 0.051 0.000 0.807 145 E N -0.245 119.963 120.200 0.013 0.000 2.358 145 E HA -0.078 4.271 4.350 -0.000 0.000 0.195 145 E C 0.871 177.481 176.600 0.016 0.000 1.010 145 E CA 0.504 56.933 56.400 0.048 0.000 0.856 145 E CB -0.079 29.608 29.700 -0.022 0.000 0.795 145 E HN 0.295 nan 8.360 nan 0.000 0.504 146 Q N 2.193 121.968 119.800 -0.042 0.000 2.295 146 Q HA 0.027 4.367 4.340 -0.000 0.000 0.259 146 Q C -0.806 175.202 176.000 0.014 0.000 0.976 146 Q CA -0.162 55.615 55.803 -0.044 0.000 0.923 146 Q CB 0.765 29.463 28.738 -0.068 0.000 1.185 146 Q HN -0.191 nan 8.270 nan 0.000 0.410 147 D N 6.054 126.481 120.400 0.045 0.000 2.358 147 D HA 0.056 4.696 4.640 -0.000 0.000 0.258 147 D C -1.666 174.651 176.300 0.028 0.000 1.223 147 D CA -1.826 52.201 54.000 0.045 0.000 0.886 147 D CB 1.265 42.104 40.800 0.066 0.000 1.120 147 D HN 0.447 nan 8.370 nan 0.000 0.482 148 P HA -0.092 nan 4.420 nan 0.000 0.225 148 P C 1.223 178.527 177.300 0.006 0.000 1.148 148 P CA 0.641 63.741 63.100 0.001 0.000 0.779 148 P CB 0.369 32.057 31.700 -0.019 0.000 0.780 149 L N -1.213 120.017 121.223 0.012 0.000 2.607 149 L HA 0.192 4.532 4.340 -0.000 0.000 0.228 149 L C 1.494 178.378 176.870 0.023 0.000 1.123 149 L CA 0.200 55.047 54.840 0.012 0.000 0.890 149 L CB -0.102 41.960 42.059 0.005 0.000 1.103 149 L HN -0.170 nan 8.230 nan 0.000 0.468 150 R N -0.220 120.304 120.500 0.040 0.000 2.734 150 R HA 0.213 4.553 4.340 -0.000 0.000 0.395 150 R C -0.427 175.930 176.300 0.094 0.000 1.096 150 R CA -0.275 55.861 56.100 0.059 0.000 1.071 150 R CB 0.312 30.650 30.300 0.064 0.000 1.348 150 R HN 0.032 nan 8.270 nan 0.000 0.600 151 N N 0.590 119.324 118.700 0.057 0.000 2.459 151 N HA 0.379 5.119 4.740 -0.000 0.000 0.288 151 N C -0.729 174.706 175.510 -0.125 0.000 1.186 151 N CA -0.639 52.433 53.050 0.036 0.000 0.917 151 N CB 1.201 39.707 38.487 0.031 0.000 1.219 151 N HN 0.092 nan 8.380 nan 0.000 0.525 152 L N 2.060 123.061 121.223 -0.371 0.000 2.417 152 L HA 0.218 4.558 4.340 -0.000 0.000 0.258 152 L C 1.412 178.116 176.870 -0.277 0.000 1.088 152 L CA -0.291 54.213 54.840 -0.560 0.000 0.975 152 L CB 0.529 41.850 42.059 -1.231 0.000 1.341 152 L HN 0.653 nan 8.230 nan 0.000 0.431 153 S N -0.058 115.568 115.700 -0.123 0.000 2.419 153 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 153 S C 1.757 176.328 174.600 -0.050 0.000 1.016 153 S CA 1.018 59.188 58.200 -0.049 0.000 0.974 153 S CB -0.119 63.064 63.200 -0.029 0.000 0.786 153 S HN 0.641 nan 8.310 nan 0.000 0.492 154 G N 0.405 109.158 108.800 -0.079 0.000 2.712 154 G HA2 0.096 4.056 3.960 -0.000 0.000 0.212 154 G HA3 0.096 4.056 3.960 -0.000 0.000 0.212 154 G C 0.595 175.463 174.900 -0.053 0.000 1.142 154 G CA -0.275 44.789 45.100 -0.059 0.000 0.789 154 G HN 0.386 nan 8.290 nan 0.000 0.535 155 Q N 0.487 120.237 119.800 -0.085 0.000 2.361 155 Q HA 0.509 4.849 4.340 -0.000 0.000 0.276 155 Q C -0.159 175.871 176.000 0.050 0.000 1.022 155 Q CA 0.332 56.116 55.803 -0.032 0.000 0.898 155 Q CB 1.431 30.124 28.738 -0.076 0.000 1.246 155 Q HN 0.281 nan 8.270 nan 0.000 0.410 156 A N 1.752 124.614 122.820 0.070 0.000 2.612 156 A HA 0.684 5.004 4.320 -0.000 0.000 0.293 156 A C -1.034 176.618 177.584 0.115 0.000 1.075 156 A CA -0.533 51.554 52.037 0.083 0.000 0.680 156 A CB 1.232 20.264 19.000 0.053 0.000 1.279 156 A HN 0.481 nan 8.150 nan 0.000 0.411 157 V N -1.801 118.195 119.914 0.138 0.000 2.960 157 V HA 0.960 5.080 4.120 -0.000 0.000 0.315 157 V C -0.477 175.714 176.094 0.162 0.000 1.087 157 V CA -0.522 61.884 62.300 0.177 0.000 0.982 157 V CB 1.745 33.728 31.823 0.267 0.000 1.039 157 V HN 0.918 nan 8.190 nan 0.000 0.437 158 T N 2.875 117.527 114.554 0.163 0.000 2.815 158 T HA 0.531 4.881 4.350 -0.000 0.000 0.289 158 T C -0.265 174.491 174.700 0.093 0.000 1.000 158 T CA -0.398 61.787 62.100 0.141 0.000 0.958 158 T CB 0.782 69.769 68.868 0.198 0.000 0.944 158 T HN 0.760 nan 8.240 nan 0.000 0.442 159 R N 2.726 123.269 120.500 0.071 0.000 2.471 159 R HA 0.566 4.906 4.340 -0.000 0.000 0.292 159 R C -0.467 175.858 176.300 0.041 0.000 1.192 159 R CA -0.571 55.543 56.100 0.023 0.000 1.257 159 R CB 0.478 30.767 30.300 -0.018 0.000 1.130 159 R HN 0.519 nan 8.270 nan 0.000 0.558 160 V N -1.833 118.106 119.914 0.041 0.000 3.087 160 V HA 0.417 4.537 4.120 -0.000 0.000 0.306 160 V C 0.089 176.205 176.094 0.036 0.000 1.187 160 V CA -1.207 61.121 62.300 0.047 0.000 0.999 160 V CB 1.909 33.770 31.823 0.063 0.000 1.049 160 V HN 0.118 nan 8.190 nan 0.000 0.431 161 V N 3.547 123.485 119.914 0.040 0.000 2.617 161 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 161 V C 1.767 177.882 176.094 0.034 0.000 1.040 161 V CA 2.026 64.349 62.300 0.038 0.000 1.149 161 V CB 0.104 31.952 31.823 0.042 0.000 0.914 161 V HN 2.116 nan 8.190 nan 0.000 0.487 162 G N 3.223 112.038 108.800 0.024 0.000 2.195 162 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.246 162 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.246 162 G C 1.032 175.907 174.900 -0.040 0.000 0.984 162 G CA 0.362 45.463 45.100 0.002 0.000 0.633 162 G HN 2.154 nan 8.290 nan 0.000 0.525 163 G N 0.094 108.882 108.800 -0.021 0.000 2.594 163 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.297 163 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.297 163 G C 1.186 176.026 174.900 -0.099 0.000 1.273 163 G CA 1.301 46.381 45.100 -0.034 0.000 0.974 163 G HN 1.107 nan 8.290 nan 0.000 0.552 164 M N 1.610 121.113 119.600 -0.163 0.000 2.557 164 M HA 0.013 4.493 4.480 -0.000 0.000 0.259 164 M C 2.684 178.633 176.300 -0.585 0.000 1.086 164 M CA 1.626 56.680 55.300 -0.410 0.000 1.096 164 M CB -0.183 32.277 32.600 -0.233 0.000 1.424 164 M HN 0.698 nan 8.290 nan 0.000 0.488 165 S N -0.444 114.975 115.700 -0.470 0.000 2.555 165 S HA -0.074 4.396 4.470 -0.000 0.000 0.230 165 S C 1.724 176.191 174.600 -0.223 0.000 0.978 165 S CA 1.208 59.028 58.200 -0.633 0.000 0.934 165 S CB -0.954 61.900 63.200 -0.577 0.000 0.766 165 S HN 0.582 nan 8.310 nan 0.000 0.533 166 T N -0.633 113.796 114.554 -0.209 0.000 3.085 166 T HA 0.009 4.359 4.350 -0.000 0.000 0.263 166 T C 1.444 175.988 174.700 -0.261 0.000 1.127 166 T CA 0.903 62.915 62.100 -0.148 0.000 1.103 166 T CB -0.684 68.188 68.868 0.006 0.000 0.921 166 T HN 0.908 nan 8.240 nan 0.000 0.510 167 H N -1.891 117.111 119.070 -0.113 0.000 3.535 167 H HA 0.209 4.766 4.556 0.002 0.000 0.260 167 H C 0.633 176.152 175.328 0.318 0.000 1.173 167 H CA -1.001 55.116 56.048 0.116 0.000 1.168 167 H CB -0.377 29.465 29.762 0.132 0.000 1.568 167 H HN 0.489 nan 8.280 nan 0.000 0.602 168 W N 2.745 123.988 121.300 -0.094 0.000 2.034 168 W HA 0.272 4.931 4.660 -0.001 0.000 0.357 168 W C 0.030 176.635 176.519 0.143 0.000 1.326 168 W CA -0.107 57.284 57.345 0.078 0.000 1.318 168 W CB -0.201 29.239 29.460 -0.034 0.000 1.193 168 W HN -0.188 nan 8.180 nan 0.000 0.620 169 T N 0.860 115.397 114.554 -0.029 0.000 3.088 169 T HA -0.015 4.335 4.350 -0.000 0.000 0.259 169 T C 1.052 175.341 174.700 -0.684 0.000 1.122 169 T CA 1.164 63.068 62.100 -0.325 0.000 1.095 169 T CB -0.553 68.276 68.868 -0.065 0.000 0.930 169 T HN 0.653 nan 8.240 nan 0.000 0.508 170 C N 1.066 119.608 119.300 -1.263 0.000 4.465 170 C HA -0.114 4.346 4.460 -0.000 0.000 0.274 170 C C 1.138 175.640 174.990 -0.815 0.000 1.337 170 C CA -0.764 57.234 59.018 -1.699 0.000 1.822 170 C CB -2.792 24.403 27.740 -0.908 0.000 1.357 170 C HN 0.766 nan 8.230 nan 0.000 0.753 171 A N 1.058 123.600 122.820 -0.463 0.000 2.409 171 A HA 0.562 4.882 4.320 -0.000 0.000 0.267 171 A C 0.790 178.274 177.584 -0.167 0.000 1.127 171 A CA 1.115 53.022 52.037 -0.217 0.000 0.795 171 A CB 0.204 19.143 19.000 -0.102 0.000 1.061 171 A HN 1.435 nan 8.150 nan 0.000 0.502 172 T N 1.395 115.871 114.554 -0.130 0.000 3.542 172 T HA 0.498 4.847 4.350 -0.000 0.000 0.276 172 T C -2.728 171.919 174.700 -0.089 0.000 1.412 172 T CA -1.384 60.673 62.100 -0.071 0.000 1.664 172 T CB 0.578 69.428 68.868 -0.030 0.000 0.863 172 T HN 0.456 nan 8.240 nan 0.000 0.661 173 P HA 0.360 nan 4.420 nan 0.000 0.277 173 P C -0.175 176.986 177.300 -0.232 0.000 1.240 173 P CA -0.576 62.421 63.100 -0.172 0.000 0.798 173 P CB 1.087 32.651 31.700 -0.228 0.000 0.979 174 R N 1.106 121.390 120.500 -0.360 0.000 2.582 174 R HA 0.348 4.688 4.340 -0.000 0.000 0.271 174 R C 0.083 176.262 176.300 -0.202 0.000 1.078 174 R CA -0.329 55.371 56.100 -0.666 0.000 1.127 174 R CB 0.137 29.909 30.300 -0.880 0.000 1.038 174 R HN 0.387 nan 8.270 nan 0.000 0.500 175 F N 2.087 121.824 119.950 -0.355 0.000 2.396 175 F HA 0.054 4.580 4.527 -0.000 0.000 0.343 175 F C 0.990 176.608 175.800 -0.302 0.000 1.104 175 F CA -1.580 56.230 58.000 -0.316 0.000 1.161 175 F CB 0.377 39.181 39.000 -0.326 0.000 1.146 175 F HN 0.547 nan 8.300 nan 0.000 0.522 176 D N 2.542 122.869 120.400 -0.121 0.000 2.398 176 D HA 0.103 4.743 4.640 -0.000 0.000 0.247 176 D C 1.065 177.277 176.300 -0.147 0.000 1.227 176 D CA -0.395 53.530 54.000 -0.125 0.000 0.980 176 D CB 0.632 41.372 40.800 -0.100 0.000 1.106 176 D HN 0.482 nan 8.370 nan 0.000 0.493 177 R N -0.290 120.149 120.500 -0.102 0.000 2.103 177 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 177 R C 2.087 178.331 176.300 -0.093 0.000 1.142 177 R CA 1.874 57.920 56.100 -0.090 0.000 0.960 177 R CB -0.316 29.964 30.300 -0.032 0.000 0.858 177 R HN 0.698 nan 8.270 nan 0.000 0.439 178 E N 0.726 120.875 120.200 -0.085 0.000 2.209 178 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 178 E C 1.490 177.987 176.600 -0.171 0.000 0.993 178 E CA 1.356 57.715 56.400 -0.068 0.000 0.819 178 E CB 0.172 29.895 29.700 0.037 0.000 0.745 178 E HN 0.409 nan 8.360 nan 0.000 0.477 179 Q N -0.559 119.036 119.800 -0.342 0.000 2.356 179 Q HA 0.118 4.458 4.340 -0.000 0.000 0.205 179 Q C 0.299 176.199 176.000 -0.167 0.000 0.901 179 Q CA -0.103 55.432 55.803 -0.447 0.000 0.938 179 Q CB 0.572 28.726 28.738 -0.973 0.000 1.081 179 Q HN -0.034 nan 8.270 nan 0.000 0.517 180 R N 2.153 122.592 120.500 -0.102 0.000 2.393 180 R HA 0.285 4.625 4.340 -0.000 0.000 0.310 180 R C -2.513 173.752 176.300 -0.058 0.000 0.968 180 R CA -2.115 53.910 56.100 -0.125 0.000 0.867 180 R CB 0.974 31.021 30.300 -0.421 0.000 1.124 180 R HN -0.106 nan 8.270 nan 0.000 0.450 181 P HA 0.022 nan 4.420 nan 0.000 0.272 181 P C -0.574 176.894 177.300 0.280 0.000 1.223 181 P CA -0.061 63.124 63.100 0.141 0.000 0.784 181 P CB 0.717 32.513 31.700 0.160 0.000 0.923 182 L N 2.414 123.773 121.223 0.227 0.000 2.349 182 L HA 0.176 4.515 4.340 -0.000 0.000 0.275 182 L C 1.702 178.743 176.870 0.286 0.000 1.115 182 L CA -0.257 54.789 54.840 0.343 0.000 0.820 182 L CB 0.322 42.635 42.059 0.422 0.000 1.135 182 L HN 0.358 nan 8.230 nan 0.000 0.445 183 L N 3.295 124.721 121.223 0.338 0.000 2.575 183 L HA 0.220 4.560 4.340 -0.000 0.000 0.228 183 L C -0.190 176.875 176.870 0.325 0.000 1.075 183 L CA 0.174 55.096 54.840 0.137 0.000 0.867 183 L CB 0.727 42.655 42.059 -0.219 0.000 1.097 183 L HN 0.319 nan 8.230 nan 0.000 0.485 184 V N 1.011 121.122 119.914 0.329 0.000 2.656 184 V HA 0.250 4.370 4.120 -0.000 0.000 0.307 184 V C -0.364 175.821 176.094 0.151 0.000 1.051 184 V CA -0.997 61.425 62.300 0.203 0.000 0.893 184 V CB 1.988 33.871 31.823 0.101 0.000 0.999 184 V HN 0.147 nan 8.190 nan 0.000 0.426 185 K N 2.025 122.360 120.400 -0.108 0.000 2.143 185 K HA 0.412 4.732 4.320 -0.000 0.000 0.272 185 K C -0.474 176.086 176.600 -0.068 0.000 1.001 185 K CA -0.359 55.835 56.287 -0.156 0.000 0.915 185 K CB 1.059 33.258 32.500 -0.503 0.000 1.047 185 K HN 0.637 nan 8.250 nan 0.000 0.458 186 D N 0.683 121.074 120.400 -0.015 0.000 2.911 186 D HA -0.163 4.477 4.640 -0.000 0.000 0.227 186 D C -0.861 175.444 176.300 0.008 0.000 1.164 186 D CA 1.464 55.461 54.000 -0.005 0.000 0.782 186 D CB -0.783 40.000 40.800 -0.028 0.000 1.094 186 D HN 0.792 nan 8.370 nan 0.000 0.425 187 D N -1.204 119.213 120.400 0.028 0.000 2.445 187 D HA 0.430 5.070 4.640 -0.000 0.000 0.236 187 D C 0.935 177.270 176.300 0.058 0.000 1.315 187 D CA 0.172 54.193 54.000 0.034 0.000 0.924 187 D CB 0.546 41.361 40.800 0.024 0.000 1.447 187 D HN -0.015 nan 8.370 nan 0.000 0.532 188 A N 2.536 125.392 122.820 0.059 0.000 1.933 188 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 188 A C 1.654 179.285 177.584 0.078 0.000 1.175 188 A CA 1.423 53.505 52.037 0.075 0.000 0.628 188 A CB -0.015 19.021 19.000 0.060 0.000 0.814 188 A HN 0.426 nan 8.150 nan 0.000 0.444 189 D N -0.171 120.264 120.400 0.060 0.000 2.144 189 D HA 0.004 4.644 4.640 -0.000 0.000 0.200 189 D C 2.200 178.537 176.300 0.063 0.000 0.978 189 D CA 1.465 55.498 54.000 0.056 0.000 0.833 189 D CB -0.279 40.545 40.800 0.040 0.000 0.961 189 D HN 0.416 nan 8.370 nan 0.000 0.470 190 A N 0.332 123.187 122.820 0.058 0.000 1.929 190 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 190 A C 1.920 179.549 177.584 0.076 0.000 1.176 190 A CA 1.742 53.810 52.037 0.052 0.000 0.628 190 A CB -0.516 18.506 19.000 0.037 0.000 0.816 190 A HN 0.183 nan 8.150 nan 0.000 0.444 191 D N -0.147 120.322 120.400 0.114 0.000 2.117 191 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 191 D C 1.233 177.696 176.300 0.271 0.000 0.987 191 D CA 1.503 55.619 54.000 0.193 0.000 0.829 191 D CB -0.093 40.848 40.800 0.235 0.000 0.961 191 D HN 0.322 nan 8.370 nan 0.000 0.460 192 D N -0.216 120.306 120.400 0.204 0.000 2.117 192 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 192 D C 1.997 178.405 176.300 0.180 0.000 0.987 192 D CA 1.397 55.518 54.000 0.201 0.000 0.829 192 D CB -0.538 40.336 40.800 0.122 0.000 0.961 192 D HN 0.326 nan 8.370 nan 0.000 0.460 193 A N 0.602 123.490 122.820 0.113 0.000 1.902 193 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 193 A C 2.160 179.774 177.584 0.050 0.000 1.181 193 A CA 1.816 53.896 52.037 0.072 0.000 0.623 193 A CB -0.500 18.525 19.000 0.042 0.000 0.818 193 A HN 0.137 nan 8.150 nan 0.000 0.443 194 E N -0.893 119.319 120.200 0.020 0.000 2.047 194 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 194 E C 1.678 178.200 176.600 -0.132 0.000 0.987 194 E CA 1.462 57.805 56.400 -0.096 0.000 0.799 194 E CB -0.406 29.187 29.700 -0.178 0.000 0.752 194 E HN 0.724 nan 8.360 nan 0.000 0.449 195 W N 0.760 122.030 121.300 -0.051 0.000 2.358 195 W HA -0.141 4.519 4.660 0.000 0.000 0.303 195 W C 2.185 178.713 176.519 0.014 0.000 1.208 195 W CA 1.309 58.597 57.345 -0.094 0.000 1.274 195 W CB -0.402 29.040 29.460 -0.030 0.000 1.138 195 W HN 0.233 nan 8.180 nan 0.000 0.515 196 D N -0.051 120.521 120.400 0.287 0.000 2.117 196 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 196 D C 2.147 178.527 176.300 0.133 0.000 0.987 196 D CA 1.487 55.621 54.000 0.224 0.000 0.829 196 D CB -0.231 40.654 40.800 0.142 0.000 0.961 196 D HN -0.026 nan 8.370 nan 0.000 0.460 197 R N -0.326 120.205 120.500 0.051 0.000 2.073 197 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 197 R C 2.458 178.726 176.300 -0.053 0.000 1.134 197 R CA 1.115 57.207 56.100 -0.013 0.000 0.952 197 R CB -0.280 29.991 30.300 -0.048 0.000 0.850 197 R HN 0.264 nan 8.270 nan 0.000 0.433 198 L N -0.628 120.534 121.223 -0.102 0.000 2.027 198 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 198 L C 2.322 179.142 176.870 -0.082 0.000 1.074 198 L CA 1.183 55.913 54.840 -0.184 0.000 0.745 198 L CB -0.621 41.221 42.059 -0.362 0.000 0.898 198 L HN 0.201 nan 8.230 nan 0.000 0.433 199 Y N 0.396 120.701 120.300 0.009 0.000 2.224 199 Y HA -0.228 4.321 4.550 -0.000 0.000 0.289 199 Y C 2.873 178.759 175.900 -0.025 0.000 1.146 199 Y CA 1.479 59.591 58.100 0.020 0.000 1.182 199 Y CB -1.113 37.390 38.460 0.072 0.000 0.983 199 Y HN 0.140 nan 8.280 nan 0.000 0.524 200 T N -0.403 114.228 114.554 0.128 0.000 2.746 200 T HA -0.216 4.133 4.350 -0.000 0.000 0.267 200 T C 1.980 176.656 174.700 -0.041 0.000 1.039 200 T CA 1.720 63.844 62.100 0.040 0.000 1.142 200 T CB -0.162 68.721 68.868 0.025 0.000 0.866 200 T HN 0.231 nan 8.240 nan 0.000 0.444 201 K N 0.779 121.101 120.400 -0.131 0.000 2.097 201 K HA 0.057 4.377 4.320 -0.000 0.000 0.205 201 K C 2.461 178.770 176.600 -0.484 0.000 1.050 201 K CA 1.016 57.105 56.287 -0.331 0.000 0.938 201 K CB -0.244 32.004 32.500 -0.420 0.000 0.718 201 K HN 0.266 nan 8.250 nan 0.000 0.442 202 A N 1.203 123.855 122.820 -0.281 0.000 1.898 202 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 202 A C 1.782 179.400 177.584 0.056 0.000 1.181 202 A CA 1.591 53.533 52.037 -0.158 0.000 0.620 202 A CB -0.426 18.579 19.000 0.008 0.000 0.819 202 A HN 0.435 nan 8.150 nan 0.000 0.442 203 E N -0.498 119.761 120.200 0.098 0.000 2.153 203 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 203 E C 2.229 178.916 176.600 0.145 0.000 0.988 203 E CA 1.125 57.618 56.400 0.155 0.000 0.811 203 E CB -0.156 29.604 29.700 0.100 0.000 0.746 203 E HN 0.595 nan 8.360 nan 0.000 0.466 204 S N -0.308 115.429 115.700 0.062 0.000 2.356 204 S HA -0.172 4.298 4.470 -0.000 0.000 0.223 204 S C 1.829 176.567 174.600 0.231 0.000 1.032 204 S CA 0.959 59.219 58.200 0.101 0.000 1.005 204 S CB -0.230 62.992 63.200 0.037 0.000 0.867 204 S HN 0.274 nan 8.310 nan 0.000 0.449 205 Y N 0.235 120.545 120.300 0.017 0.000 2.165 205 Y HA -0.011 4.538 4.550 -0.000 0.000 0.286 205 Y C 2.037 177.958 175.900 0.035 0.000 1.155 205 Y CA 0.480 58.556 58.100 -0.040 0.000 1.164 205 Y CB -1.024 37.332 38.460 -0.173 0.000 0.978 205 Y HN 0.341 nan 8.280 nan 0.000 0.513 206 F N 0.053 120.157 119.950 0.257 0.000 2.789 206 F HA 0.054 4.582 4.527 0.001 0.000 0.300 206 F C 0.794 176.705 175.800 0.186 0.000 1.132 206 F CA 0.113 58.256 58.000 0.238 0.000 1.404 206 F CB -0.224 38.939 39.000 0.272 0.000 1.114 206 F HN -0.032 nan 8.300 nan 0.000 0.584 207 Q N 0.464 120.452 119.800 0.313 0.000 2.463 207 Q HA -0.186 4.154 4.340 -0.000 0.000 0.299 207 Q C 0.045 176.137 176.000 0.153 0.000 1.353 207 Q CA 0.759 56.676 55.803 0.191 0.000 0.828 207 Q CB -2.685 26.143 28.738 0.149 0.000 1.157 207 Q HN 0.221 nan 8.270 nan 0.000 0.436 208 T N -0.088 114.569 114.554 0.171 0.000 2.930 208 T HA 0.497 4.847 4.350 -0.000 0.000 0.306 208 T C 0.784 175.519 174.700 0.058 0.000 1.045 208 T CA 0.515 62.678 62.100 0.104 0.000 1.134 208 T CB 1.428 70.363 68.868 0.112 0.000 0.961 208 T HN 0.491 nan 8.240 nan 0.000 0.545 209 G N 0.396 109.215 108.800 0.032 0.000 2.684 209 G HA2 0.538 4.498 3.960 -0.000 0.000 0.290 209 G HA3 0.538 4.498 3.960 -0.000 0.000 0.290 209 G C 0.043 174.958 174.900 0.025 0.000 1.425 209 G CA -0.516 44.596 45.100 0.019 0.000 0.822 209 G HN 0.653 nan 8.290 nan 0.000 0.482 210 T N -2.518 112.052 114.554 0.028 0.000 3.288 210 T HA 0.258 4.608 4.350 -0.000 0.000 0.293 210 T C 0.208 174.942 174.700 0.056 0.000 1.008 210 T CA 0.572 62.702 62.100 0.050 0.000 0.929 210 T CB 0.396 69.294 68.868 0.050 0.000 1.152 210 T HN 0.472 nan 8.240 nan 0.000 0.517 211 D N 0.557 120.970 120.400 0.023 0.000 2.479 211 D HA 0.044 4.684 4.640 -0.000 0.000 0.216 211 D C 1.476 177.736 176.300 -0.067 0.000 1.110 211 D CA 0.066 54.062 54.000 -0.006 0.000 0.841 211 D CB -0.128 40.656 40.800 -0.027 0.000 1.040 211 D HN 0.292 nan 8.370 nan 0.000 0.505 212 Q N -0.401 119.349 119.800 -0.084 0.000 2.436 212 Q HA 0.145 4.485 4.340 -0.000 0.000 0.209 212 Q C 0.327 175.981 176.000 -0.577 0.000 0.965 212 Q CA 0.788 56.410 55.803 -0.303 0.000 0.910 212 Q CB -0.253 28.280 28.738 -0.342 0.000 0.980 212 Q HN 0.279 nan 8.270 nan 0.000 0.491 213 F N -0.063 119.739 119.950 -0.247 0.000 2.668 213 F HA 0.217 4.745 4.527 0.000 0.000 0.301 213 F C 1.265 176.883 175.800 -0.303 0.000 1.106 213 F CA -0.468 57.330 58.000 -0.337 0.000 1.289 213 F CB 0.364 39.070 39.000 -0.489 0.000 1.006 213 F HN 0.009 nan 8.300 nan 0.000 0.535 214 K N 0.191 120.534 120.400 -0.096 0.000 2.283 214 K HA -0.054 4.266 4.320 -0.000 0.000 0.202 214 K C 0.729 177.347 176.600 0.029 0.000 1.048 214 K CA 1.423 57.733 56.287 0.038 0.000 0.948 214 K CB -0.101 32.411 32.500 0.020 0.000 0.742 214 K HN 0.290 nan 8.250 nan 0.000 0.458 215 E N 1.671 121.767 120.200 -0.173 0.000 2.496 215 E HA 0.045 4.395 4.350 -0.000 0.000 0.200 215 E C -0.722 175.799 176.600 -0.131 0.000 1.016 215 E CA -0.236 55.900 56.400 -0.440 0.000 0.962 215 E CB 0.913 30.139 29.700 -0.790 0.000 1.071 215 E HN 0.199 nan 8.360 nan 0.000 0.457 216 S N 0.810 116.572 115.700 0.103 0.000 2.465 216 S HA 0.213 4.683 4.470 -0.000 0.000 0.279 216 S C 1.221 175.964 174.600 0.239 0.000 1.201 216 S CA -0.503 57.797 58.200 0.167 0.000 1.053 216 S CB 0.472 63.801 63.200 0.215 0.000 0.953 216 S HN 0.202 nan 8.310 nan 0.000 0.488 217 I N 4.973 125.554 120.570 0.019 0.000 2.179 217 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 217 I C 2.687 178.741 176.117 -0.105 0.000 1.088 217 I CA 1.075 62.162 61.300 -0.355 0.000 1.357 217 I CB -0.217 37.289 38.000 -0.824 0.000 1.051 217 I HN 0.699 nan 8.210 nan 0.000 0.409 218 R N -0.379 120.101 120.500 -0.033 0.000 2.091 218 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 218 R C 2.362 178.732 176.300 0.117 0.000 1.136 218 R CA 1.833 57.953 56.100 0.034 0.000 0.959 218 R CB -0.701 29.614 30.300 0.025 0.000 0.856 218 R HN 0.429 nan 8.270 nan 0.000 0.437 219 H N 1.115 120.232 119.070 0.078 0.000 2.319 219 H HA -0.063 4.492 4.556 -0.001 0.000 0.299 219 H C 1.803 177.215 175.328 0.140 0.000 1.092 219 H CA 1.922 58.030 56.048 0.101 0.000 1.302 219 H CB -0.066 29.786 29.762 0.150 0.000 1.373 219 H HN 0.130 nan 8.280 nan 0.000 0.497 220 N N -0.021 118.812 118.700 0.222 0.000 2.188 220 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 220 N C 1.988 177.616 175.510 0.197 0.000 1.018 220 N CA 0.942 54.130 53.050 0.231 0.000 0.858 220 N CB -0.253 38.554 38.487 0.533 0.000 0.989 220 N HN 0.284 nan 8.380 nan 0.000 0.426 221 L N 1.315 122.684 121.223 0.244 0.000 2.042 221 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 221 L C 2.168 179.082 176.870 0.074 0.000 1.076 221 L CA 1.278 56.240 54.840 0.202 0.000 0.749 221 L CB -0.558 41.606 42.059 0.175 0.000 0.893 221 L HN -0.102 nan 8.230 nan 0.000 0.432 222 V N -0.922 119.004 119.914 0.020 0.000 2.323 222 V HA -0.271 3.849 4.120 -0.000 0.000 0.244 222 V C 2.422 178.447 176.094 -0.116 0.000 1.041 222 V CA 1.821 64.101 62.300 -0.034 0.000 1.025 222 V CB -0.500 31.287 31.823 -0.059 0.000 0.656 222 V HN 0.452 nan 8.190 nan 0.000 0.451 223 L N 0.278 121.401 121.223 -0.167 0.000 2.017 223 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 223 L C 2.470 179.256 176.870 -0.139 0.000 1.073 223 L CA 1.771 56.496 54.840 -0.191 0.000 0.745 223 L CB -0.401 41.525 42.059 -0.221 0.000 0.894 223 L HN 0.381 nan 8.230 nan 0.000 0.432 224 N N -0.003 118.661 118.700 -0.059 0.000 2.142 224 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 224 N C 1.742 177.224 175.510 -0.047 0.000 1.023 224 N CA 1.094 54.128 53.050 -0.027 0.000 0.852 224 N CB -0.252 38.239 38.487 0.006 0.000 0.998 224 N HN 0.178 nan 8.380 nan 0.000 0.424 225 K N 1.402 121.774 120.400 -0.048 0.000 2.026 225 K HA 0.035 4.355 4.320 -0.000 0.000 0.208 225 K C 1.961 178.511 176.600 -0.083 0.000 1.048 225 K CA 0.952 57.213 56.287 -0.044 0.000 0.929 225 K CB -0.476 32.017 32.500 -0.011 0.000 0.713 225 K HN 0.121 nan 8.250 nan 0.000 0.439 226 L N 0.477 121.576 121.223 -0.205 0.000 2.027 226 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 226 L C 2.525 179.242 176.870 -0.255 0.000 1.074 226 L CA 1.834 56.456 54.840 -0.364 0.000 0.745 226 L CB -1.161 40.257 42.059 -1.069 0.000 0.898 226 L HN 0.463 nan 8.230 nan 0.000 0.433 227 T N -2.613 111.800 114.554 -0.235 0.000 2.720 227 T HA -0.242 4.107 4.350 -0.000 0.000 0.268 227 T C 1.564 176.335 174.700 0.118 0.000 1.037 227 T CA 1.579 63.745 62.100 0.110 0.000 1.144 227 T CB -0.429 68.521 68.868 0.136 0.000 0.864 227 T HN 0.398 nan 8.240 nan 0.000 0.444 228 E N 0.960 121.182 120.200 0.037 0.000 2.058 228 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 228 E C 2.584 179.198 176.600 0.024 0.000 0.997 228 E CA 1.356 57.770 56.400 0.023 0.000 0.801 228 E CB -0.109 29.584 29.700 -0.012 0.000 0.746 228 E HN 0.578 nan 8.360 nan 0.000 0.450 229 E N -0.000 120.205 120.200 0.010 0.000 2.152 229 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 229 E C 1.530 178.019 176.600 -0.186 0.000 0.983 229 E CA 0.805 57.145 56.400 -0.101 0.000 0.818 229 E CB 0.004 29.612 29.700 -0.154 0.000 0.758 229 E HN 0.421 nan 8.360 nan 0.000 0.467 230 Y N 0.789 121.136 120.300 0.079 0.000 2.490 230 Y HA 0.073 4.623 4.550 -0.001 0.000 0.281 230 Y C 0.537 176.486 175.900 0.083 0.000 1.174 230 Y CA 0.161 58.330 58.100 0.116 0.000 1.295 230 Y CB 0.159 38.758 38.460 0.231 0.000 1.062 230 Y HN -0.162 nan 8.280 nan 0.000 0.522 231 K N 0.263 120.746 120.400 0.138 0.000 3.156 231 K HA -0.288 4.031 4.320 -0.000 0.000 0.266 231 K C 1.213 177.875 176.600 0.104 0.000 0.966 231 K CA 0.702 57.042 56.287 0.088 0.000 0.719 231 K CB -1.948 30.575 32.500 0.038 0.000 1.333 231 K HN 0.742 nan 8.250 nan 0.000 0.468 232 G N -0.129 108.753 108.800 0.136 0.000 2.253 232 G HA2 -0.411 3.548 3.960 -0.000 0.000 0.251 232 G HA3 -0.411 3.548 3.960 -0.000 0.000 0.251 232 G C 0.849 175.814 174.900 0.110 0.000 0.998 232 G CA 0.660 45.825 45.100 0.108 0.000 0.621 232 G HN 0.480 nan 8.290 nan 0.000 0.524 233 Q N -0.212 119.672 119.800 0.141 0.000 2.226 233 Q HA 0.064 4.404 4.340 -0.000 0.000 0.204 233 Q C 1.450 177.510 176.000 0.101 0.000 0.975 233 Q CA 1.115 56.997 55.803 0.131 0.000 0.866 233 Q CB 0.076 28.922 28.738 0.181 0.000 0.915 233 Q HN 0.603 nan 8.270 nan 0.000 0.440 234 R N 0.006 120.558 120.500 0.087 0.000 2.771 234 R HA 0.322 4.662 4.340 -0.000 0.000 0.274 234 R C -1.455 174.773 176.300 -0.120 0.000 0.987 234 R CA -0.726 55.309 56.100 -0.107 0.000 0.908 234 R CB 1.649 31.672 30.300 -0.462 0.000 1.213 234 R HN -0.035 nan 8.270 nan 0.000 0.468 235 D N 1.731 121.987 120.400 -0.240 0.000 2.217 235 D HA 0.344 4.984 4.640 -0.000 0.000 0.243 235 D C -0.827 175.226 176.300 -0.412 0.000 1.054 235 D CA 0.045 53.951 54.000 -0.157 0.000 0.838 235 D CB 1.379 42.133 40.800 -0.077 0.000 1.162 235 D HN 0.159 nan 8.370 nan 0.000 0.472 236 F N 1.313 121.260 119.950 -0.005 0.000 2.495 236 F HA 0.321 4.848 4.527 -0.001 0.000 0.327 236 F C 0.700 176.506 175.800 0.010 0.000 1.103 236 F CA -0.654 57.338 58.000 -0.013 0.000 0.949 236 F CB 1.790 40.777 39.000 -0.021 0.000 1.142 236 F HN 0.197 nan 8.300 nan 0.000 0.457 237 Q N 0.719 120.615 119.800 0.160 0.000 2.626 237 Q HA 0.379 4.719 4.340 -0.000 0.000 0.300 237 Q C -1.445 174.653 176.000 0.163 0.000 0.988 237 Q CA -1.305 54.580 55.803 0.137 0.000 0.761 237 Q CB 1.819 30.606 28.738 0.082 0.000 1.494 237 Q HN 0.625 nan 8.270 nan 0.000 0.439 238 Q N 0.912 120.834 119.800 0.204 0.000 2.364 238 Q HA 0.218 4.558 4.340 -0.000 0.000 0.267 238 Q C -0.512 175.558 176.000 0.118 0.000 0.999 238 Q CA -0.239 55.705 55.803 0.235 0.000 0.886 238 Q CB 0.527 29.390 28.738 0.210 0.000 1.243 238 Q HN 0.599 nan 8.270 nan 0.000 0.415 239 I N 6.667 127.287 120.570 0.083 0.000 2.828 239 I HA -0.074 4.095 4.170 -0.000 0.000 0.292 239 I C -1.963 174.170 176.117 0.028 0.000 1.206 239 I CA -1.268 60.053 61.300 0.034 0.000 1.420 239 I CB 0.044 38.034 38.000 -0.017 0.000 1.368 239 I HN 0.451 nan 8.210 nan 0.000 0.556 240 P HA 0.217 nan 4.420 nan 0.000 0.271 240 P C -0.879 176.409 177.300 -0.019 0.000 1.226 240 P CA 0.164 63.265 63.100 0.001 0.000 0.765 240 P CB 0.467 32.154 31.700 -0.022 0.000 0.835 241 L N 2.361 123.586 121.223 0.004 0.000 2.385 241 L HA 0.610 4.950 4.340 -0.000 0.000 0.273 241 L C 0.304 177.168 176.870 -0.009 0.000 0.990 241 L CA -1.188 53.651 54.840 -0.002 0.000 0.821 241 L CB 2.136 44.267 42.059 0.121 0.000 1.279 241 L HN 0.247 nan 8.230 nan 0.000 0.412 242 A N 3.223 125.994 122.820 -0.081 0.000 2.671 242 A HA 0.736 5.056 4.320 -0.000 0.000 0.306 242 A C 0.106 177.721 177.584 0.052 0.000 1.473 242 A CA 0.224 52.256 52.037 -0.008 0.000 1.155 242 A CB -0.442 18.476 19.000 -0.135 0.000 1.123 242 A HN 0.819 nan 8.150 nan 0.000 0.545 243 A N 1.698 124.520 122.820 0.004 0.000 2.581 243 A HA 0.703 5.023 4.320 -0.000 0.000 0.294 243 A C -0.516 176.962 177.584 -0.176 0.000 1.035 243 A CA -0.464 51.483 52.037 -0.150 0.000 0.684 243 A CB 0.601 19.332 19.000 -0.448 0.000 1.282 243 A HN 0.621 nan 8.150 nan 0.000 0.417 244 T N 1.501 115.916 114.554 -0.231 0.000 2.847 244 T HA 0.452 4.802 4.350 -0.000 0.000 0.291 244 T C -0.016 174.531 174.700 -0.254 0.000 0.998 244 T CA -0.378 61.614 62.100 -0.180 0.000 0.967 244 T CB 0.972 69.791 68.868 -0.082 0.000 0.954 244 T HN 0.726 nan 8.240 nan 0.000 0.441 245 R N 2.390 122.720 120.500 -0.284 0.000 2.489 245 R HA 0.202 4.542 4.340 -0.000 0.000 0.287 245 R C 0.795 177.004 176.300 -0.151 0.000 1.053 245 R CA -0.220 55.706 56.100 -0.291 0.000 1.036 245 R CB 0.400 30.493 30.300 -0.344 0.000 0.966 245 R HN 0.385 nan 8.270 nan 0.000 0.432 246 R N 1.041 121.502 120.500 -0.065 0.000 2.225 246 R HA 0.148 4.487 4.340 -0.000 0.000 0.194 246 R C 0.189 176.471 176.300 -0.030 0.000 0.957 246 R CA 0.708 56.804 56.100 -0.007 0.000 1.042 246 R CB 0.250 30.605 30.300 0.092 0.000 1.004 246 R HN 0.775 nan 8.270 nan 0.000 0.509 247 S N -1.617 114.068 115.700 -0.026 0.000 2.636 247 S HA 0.377 4.847 4.470 -0.000 0.000 0.268 247 S C -2.654 171.900 174.600 -0.076 0.000 1.159 247 S CA -1.056 57.118 58.200 -0.043 0.000 0.815 247 S CB 2.135 65.331 63.200 -0.006 0.000 1.130 247 S HN -0.264 nan 8.310 nan 0.000 0.471 248 P HA 0.032 nan 4.420 nan 0.000 0.223 248 P C 0.889 178.144 177.300 -0.074 0.000 1.144 248 P CA 1.624 64.664 63.100 -0.100 0.000 0.783 248 P CB -0.143 31.514 31.700 -0.072 0.000 0.771 249 T N -6.698 107.846 114.554 -0.016 0.000 3.170 249 T HA 0.311 4.661 4.350 -0.000 0.000 0.288 249 T C -0.295 174.454 174.700 0.081 0.000 0.992 249 T CA -0.359 61.754 62.100 0.023 0.000 0.909 249 T CB -0.578 68.323 68.868 0.055 0.000 1.133 249 T HN -0.128 nan 8.240 nan 0.000 0.530 250 F N 1.510 121.392 119.950 -0.112 0.000 2.573 250 F HA 0.659 5.186 4.527 0.000 0.000 0.316 250 F C -1.620 174.046 175.800 -0.224 0.000 1.148 250 F CA -1.099 56.832 58.000 -0.115 0.000 0.940 250 F CB 1.956 40.906 39.000 -0.083 0.000 1.214 250 F HN -0.101 nan 8.300 nan 0.000 0.448 251 V N 5.215 124.670 119.914 -0.766 0.000 2.448 251 V HA 0.283 4.403 4.120 -0.000 0.000 0.295 251 V C -0.348 175.166 176.094 -0.967 0.000 1.025 251 V CA -0.835 60.956 62.300 -0.849 0.000 0.859 251 V CB 1.637 32.744 31.823 -1.194 0.000 0.988 251 V HN 0.731 nan 8.190 nan 0.000 0.431 252 E N 4.476 124.413 120.200 -0.438 0.000 1.996 252 E HA 0.141 4.491 4.350 -0.000 0.000 0.280 252 E C -1.101 175.318 176.600 -0.301 0.000 1.092 252 E CA -0.535 55.764 56.400 -0.168 0.000 0.862 252 E CB 0.429 30.175 29.700 0.077 0.000 1.066 252 E HN 0.632 nan 8.360 nan 0.000 0.396 253 W N 2.897 124.099 121.300 -0.162 0.000 2.238 253 W HA 0.116 4.778 4.660 0.002 0.000 0.321 253 W C 0.628 177.174 176.519 0.046 0.000 1.293 253 W CA -0.498 56.728 57.345 -0.199 0.000 1.204 253 W CB 0.936 30.033 29.460 -0.605 0.000 1.167 253 W HN 0.324 nan 8.180 nan 0.000 0.553 254 S N 1.651 117.568 115.700 0.362 0.000 2.645 254 S HA 0.665 5.135 4.470 -0.000 0.000 0.266 254 S C 0.095 175.146 174.600 0.752 0.000 1.258 254 S CA -0.599 57.883 58.200 0.470 0.000 0.990 254 S CB 1.267 64.752 63.200 0.474 0.000 0.967 254 S HN 0.518 nan 8.310 nan 0.000 0.556 255 S N -0.649 115.442 115.700 0.651 0.000 2.683 255 S HA 0.652 5.122 4.470 -0.000 0.000 0.269 255 S C 0.705 175.497 174.600 0.320 0.000 1.165 255 S CA -0.322 58.181 58.200 0.505 0.000 0.840 255 S CB 0.461 63.881 63.200 0.367 0.000 1.169 255 S HN 0.759 nan 8.310 nan 0.000 0.490 256 A N 1.638 124.542 122.820 0.140 0.000 1.927 256 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 256 A C 2.018 179.644 177.584 0.070 0.000 1.185 256 A CA 2.217 54.291 52.037 0.063 0.000 0.639 256 A CB -1.573 17.438 19.000 0.018 0.000 0.820 256 A HN 0.875 nan 8.150 nan 0.000 0.451 257 N N -0.607 118.146 118.700 0.090 0.000 2.149 257 N HA -0.162 4.577 4.740 -0.000 0.000 0.188 257 N C 1.542 177.075 175.510 0.039 0.000 1.019 257 N CA 2.081 55.159 53.050 0.047 0.000 0.857 257 N CB -0.228 38.302 38.487 0.071 0.000 0.997 257 N HN 0.478 nan 8.380 nan 0.000 0.426 258 T N 0.455 115.079 114.554 0.116 0.000 2.777 258 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 258 T C 2.077 176.802 174.700 0.041 0.000 1.040 258 T CA 1.077 63.248 62.100 0.118 0.000 1.141 258 T CB -0.182 68.835 68.868 0.248 0.000 0.868 258 T HN 0.055 nan 8.240 nan 0.000 0.444 259 V N -0.359 119.558 119.914 0.006 0.000 2.379 259 V HA 0.145 4.264 4.120 -0.000 0.000 0.245 259 V C 0.508 176.547 176.094 -0.092 0.000 1.044 259 V CA 0.981 63.199 62.300 -0.136 0.000 1.036 259 V CB -0.362 31.332 31.823 -0.215 0.000 0.664 259 V HN 0.479 nan 8.190 nan 0.000 0.453 260 F N 0.887 120.703 119.950 -0.224 0.000 2.604 260 F HA 0.390 4.916 4.527 -0.001 0.000 0.316 260 F C 0.236 175.916 175.800 -0.199 0.000 1.136 260 F CA -1.576 56.268 58.000 -0.261 0.000 0.989 260 F CB 1.455 40.250 39.000 -0.342 0.000 1.258 260 F HN 0.139 nan 8.300 nan 0.000 0.451 261 D N 4.737 124.672 120.400 -0.774 0.000 2.363 261 D HA -0.044 4.596 4.640 -0.000 0.000 0.220 261 D C 1.208 177.230 176.300 -0.463 0.000 0.994 261 D CA 1.127 54.834 54.000 -0.488 0.000 0.890 261 D CB -0.000 40.567 40.800 -0.388 0.000 0.906 261 D HN 0.696 nan 8.370 nan 0.000 0.530 262 L N -1.969 118.805 121.223 -0.747 0.000 4.937 262 L HA -0.232 4.108 4.340 -0.000 0.000 0.422 262 L C -0.258 176.594 176.870 -0.029 0.000 1.059 262 L CA 0.439 55.145 54.840 -0.223 0.000 1.111 262 L CB -1.265 40.806 42.059 0.021 0.000 2.033 262 L HN 0.216 nan 8.230 nan 0.000 0.708 263 Q N 0.949 120.633 119.800 -0.193 0.000 2.332 263 Q HA 0.227 4.567 4.340 -0.000 0.000 0.263 263 Q C 0.362 176.433 176.000 0.119 0.000 0.979 263 Q CA -0.039 55.734 55.803 -0.049 0.000 0.885 263 Q CB 0.632 29.301 28.738 -0.114 0.000 1.218 263 Q HN 0.131 nan 8.270 nan 0.000 0.405 264 N N 1.846 120.613 118.700 0.110 0.000 2.441 264 N HA 0.115 4.855 4.740 -0.000 0.000 0.251 264 N C -0.306 175.283 175.510 0.130 0.000 1.242 264 N CA 0.346 53.471 53.050 0.126 0.000 0.898 264 N CB 0.603 39.067 38.487 -0.037 0.000 1.100 264 N HN 0.269 nan 8.380 nan 0.000 0.443 265 R N 0.937 121.547 120.500 0.183 0.000 2.795 265 R HA 0.483 4.823 4.340 -0.000 0.000 0.275 265 R C -2.475 173.920 176.300 0.159 0.000 0.981 265 R CA -1.578 54.624 56.100 0.170 0.000 0.917 265 R CB 2.069 32.507 30.300 0.228 0.000 1.202 265 R HN 0.407 nan 8.270 nan 0.000 0.469 266 P HA 0.086 nan 4.420 nan 0.000 0.271 266 P C -1.362 175.997 177.300 0.099 0.000 1.218 266 P CA -0.199 63.003 63.100 0.170 0.000 0.780 266 P CB 0.686 32.541 31.700 0.258 0.000 0.901 267 N N -0.952 117.789 118.700 0.069 0.000 2.853 267 N HA 0.211 4.951 4.740 -0.000 0.000 0.258 267 N C 0.592 176.113 175.510 0.018 0.000 1.444 267 N CA -0.772 52.298 53.050 0.034 0.000 0.837 267 N CB -0.518 37.978 38.487 0.014 0.000 1.489 267 N HN 0.046 nan 8.380 nan 0.000 0.529 268 T N -0.655 113.902 114.554 0.005 0.000 2.778 268 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 268 T C 0.259 174.953 174.700 -0.011 0.000 1.050 268 T CA 1.732 63.831 62.100 -0.002 0.000 1.137 268 T CB -0.442 68.421 68.868 -0.007 0.000 0.860 268 T HN 0.544 nan 8.240 nan 0.000 0.468 269 D N 0.538 120.928 120.400 -0.017 0.000 2.333 269 D HA 0.232 4.872 4.640 -0.000 0.000 0.208 269 D C 0.843 177.129 176.300 -0.024 0.000 0.984 269 D CA 0.333 54.317 54.000 -0.026 0.000 0.873 269 D CB 0.347 41.124 40.800 -0.038 0.000 0.935 269 D HN 0.371 nan 8.370 nan 0.000 0.521 270 A N 1.646 124.460 122.820 -0.012 0.000 3.453 270 A HA 0.298 4.618 4.320 -0.000 0.000 0.262 270 A C -2.025 175.568 177.584 0.015 0.000 1.026 270 A CA -0.782 51.254 52.037 -0.001 0.000 0.938 270 A CB 0.839 19.847 19.000 0.012 0.000 1.246 270 A HN -0.169 nan 8.150 nan 0.000 0.546 271 P HA -0.081 nan 4.420 nan 0.000 0.226 271 P C 0.480 177.734 177.300 -0.077 0.000 1.153 271 P CA 1.179 64.275 63.100 -0.007 0.000 0.777 271 P CB 0.449 32.130 31.700 -0.031 0.000 0.794 272 E N -0.345 119.750 120.200 -0.175 0.000 2.501 272 E HA 0.146 4.496 4.350 -0.000 0.000 0.201 272 E C 0.304 176.820 176.600 -0.140 0.000 1.016 272 E CA 0.105 56.221 56.400 -0.473 0.000 0.920 272 E CB 0.635 30.090 29.700 -0.408 0.000 1.023 272 E HN 0.494 nan 8.360 nan 0.000 0.474 273 E N 0.935 121.193 120.200 0.097 0.000 2.227 273 E HA 0.486 4.836 4.350 -0.000 0.000 0.268 273 E C -0.224 176.566 176.600 0.316 0.000 0.990 273 E CA -0.571 55.948 56.400 0.199 0.000 0.856 273 E CB 1.647 31.435 29.700 0.147 0.000 1.159 273 E HN -0.182 nan 8.360 nan 0.000 0.401 274 R N 1.819 122.501 120.500 0.302 0.000 2.500 274 R HA 0.409 4.749 4.340 -0.000 0.000 0.299 274 R C -1.651 174.831 176.300 0.303 0.000 1.038 274 R CA -0.525 55.734 56.100 0.265 0.000 0.903 274 R CB 0.986 31.409 30.300 0.204 0.000 1.177 274 R HN 0.400 nan 8.270 nan 0.000 0.455 275 F N 2.232 122.240 119.950 0.097 0.000 2.604 275 F HA 0.433 4.960 4.527 -0.001 0.000 0.316 275 F C -1.688 174.087 175.800 -0.042 0.000 1.136 275 F CA -0.638 57.392 58.000 0.051 0.000 0.989 275 F CB 1.992 41.083 39.000 0.153 0.000 1.258 275 F HN 0.385 nan 8.300 nan 0.000 0.451 276 N N 4.794 122.880 118.700 -1.022 0.000 2.352 276 N HA 0.578 5.318 4.740 -0.000 0.000 0.291 276 N C -2.020 172.501 175.510 -1.649 0.000 1.040 276 N CA -0.640 51.730 53.050 -1.134 0.000 0.864 276 N CB 2.336 40.336 38.487 -0.811 0.000 1.440 276 N HN 0.569 nan 8.380 nan 0.000 0.483 277 L N 2.740 123.189 121.223 -1.289 0.000 2.295 277 L HA 0.628 4.967 4.340 -0.000 0.000 0.285 277 L C -1.626 174.672 176.870 -0.953 0.000 1.035 277 L CA -0.228 54.084 54.840 -0.879 0.000 0.806 277 L CB 0.125 42.022 42.059 -0.271 0.000 1.214 277 L HN 0.454 nan 8.230 nan 0.000 0.426 278 F N 6.475 126.180 119.950 -0.409 0.000 2.434 278 F HA 0.535 5.062 4.527 -0.000 0.000 0.367 278 F C -2.114 173.641 175.800 -0.075 0.000 1.093 278 F CA -2.123 55.738 58.000 -0.230 0.000 1.085 278 F CB 0.688 39.528 39.000 -0.267 0.000 1.322 278 F HN 0.421 nan 8.300 nan 0.000 0.452 279 P HA 0.281 nan 4.420 nan 0.000 0.274 279 P C 0.018 177.384 177.300 0.110 0.000 1.256 279 P CA -0.178 62.969 63.100 0.080 0.000 0.795 279 P CB 0.908 32.633 31.700 0.041 0.000 1.038 280 A N -1.191 121.677 122.820 0.080 0.000 2.745 280 A HA -0.106 4.213 4.320 -0.000 0.000 0.296 280 A C -0.051 177.575 177.584 0.071 0.000 1.500 280 A CA 0.751 52.829 52.037 0.068 0.000 0.766 280 A CB -2.404 16.633 19.000 0.062 0.000 1.030 280 A HN 0.256 nan 8.150 nan 0.000 0.489 281 V N -0.192 119.782 119.914 0.100 0.000 2.409 281 V HA 0.645 4.765 4.120 -0.000 0.000 0.290 281 V C 0.596 176.715 176.094 0.041 0.000 1.017 281 V CA -0.296 62.066 62.300 0.103 0.000 0.841 281 V CB 1.496 33.473 31.823 0.256 0.000 1.003 281 V HN 1.456 nan 8.190 nan 0.000 0.426 282 A N 4.376 127.198 122.820 0.003 0.000 2.350 282 A HA 0.431 4.751 4.320 -0.000 0.000 0.293 282 A C 0.184 177.757 177.584 -0.018 0.000 1.231 282 A CA -0.131 51.890 52.037 -0.027 0.000 0.883 282 A CB -0.198 18.836 19.000 0.056 0.000 1.133 282 A HN 0.854 nan 8.150 nan 0.000 0.533 283 C N 2.761 122.022 119.300 -0.064 0.000 2.435 283 C HA 0.355 4.815 4.460 -0.000 0.000 0.375 283 C C 1.380 176.336 174.990 -0.057 0.000 1.281 283 C CA -0.212 58.757 59.018 -0.082 0.000 1.963 283 C CB -0.198 27.485 27.740 -0.095 0.000 2.490 283 C HN 1.020 nan 8.230 nan 0.000 0.557 284 E N 0.627 120.807 120.200 -0.034 0.000 2.367 284 E HA 0.137 4.487 4.350 -0.000 0.000 0.204 284 E C 0.554 177.122 176.600 -0.053 0.000 0.840 284 E CA 0.162 56.547 56.400 -0.025 0.000 1.051 284 E CB 0.638 30.344 29.700 0.010 0.000 1.051 284 E HN 0.606 nan 8.360 nan 0.000 0.509 285 R N 0.861 121.321 120.500 -0.066 0.000 2.604 285 R HA 0.259 4.599 4.340 -0.000 0.000 0.270 285 R C -1.573 174.620 176.300 -0.179 0.000 1.052 285 R CA -0.528 55.491 56.100 -0.135 0.000 0.902 285 R CB 1.836 32.019 30.300 -0.196 0.000 1.233 285 R HN -0.042 nan 8.270 nan 0.000 0.455 286 V N 1.280 121.088 119.914 -0.177 0.000 2.472 286 V HA 0.628 4.748 4.120 -0.000 0.000 0.290 286 V C -0.303 175.646 176.094 -0.242 0.000 1.037 286 V CA -0.753 61.409 62.300 -0.229 0.000 0.908 286 V CB 1.643 33.326 31.823 -0.234 0.000 0.985 286 V HN 0.415 nan 8.190 nan 0.000 0.454 287 V N 5.706 125.448 119.914 -0.288 0.000 2.383 287 V HA 0.447 4.567 4.120 -0.000 0.000 0.275 287 V C 0.600 176.613 176.094 -0.135 0.000 1.036 287 V CA -0.439 61.721 62.300 -0.233 0.000 0.889 287 V CB 0.895 32.592 31.823 -0.210 0.000 0.985 287 V HN 0.932 nan 8.190 nan 0.000 0.459 288 R N 3.970 124.418 120.500 -0.087 0.000 2.357 288 R HA 0.298 4.638 4.340 -0.000 0.000 0.296 288 R C 0.383 176.694 176.300 0.019 0.000 1.052 288 R CA -0.599 55.522 56.100 0.035 0.000 0.988 288 R CB 0.686 30.996 30.300 0.017 0.000 1.025 288 R HN 0.870 nan 8.270 nan 0.000 0.469 289 N N 1.903 120.632 118.700 0.049 0.000 2.260 289 N HA -0.058 4.682 4.740 -0.000 0.000 0.230 289 N C 0.577 176.073 175.510 -0.024 0.000 1.323 289 N CA 0.329 53.382 53.050 0.005 0.000 0.897 289 N CB 0.367 38.857 38.487 0.004 0.000 1.146 289 N HN 0.564 nan 8.380 nan 0.000 0.460 290 A N 0.048 122.849 122.820 -0.032 0.000 1.968 290 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 290 A C 2.250 179.798 177.584 -0.060 0.000 1.169 290 A CA 0.711 52.724 52.037 -0.041 0.000 0.638 290 A CB -0.760 18.222 19.000 -0.031 0.000 0.812 290 A HN 0.646 nan 8.150 nan 0.000 0.446 291 L N -0.652 120.527 121.223 -0.074 0.000 2.456 291 L HA -0.116 4.224 4.340 -0.000 0.000 0.224 291 L C 0.048 176.807 176.870 -0.185 0.000 1.148 291 L CA 0.292 55.068 54.840 -0.107 0.000 0.825 291 L CB -0.589 41.408 42.059 -0.104 0.000 0.937 291 L HN 0.450 nan 8.230 nan 0.000 0.450 292 N N 0.249 118.821 118.700 -0.214 0.000 2.725 292 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 292 N C 0.886 175.784 175.510 -1.019 0.000 1.031 292 N CA 1.045 53.833 53.050 -0.437 0.000 0.720 292 N CB -1.075 37.286 38.487 -0.209 0.000 0.930 292 N HN 0.533 nan 8.380 nan 0.000 0.543 293 S N -2.010 113.274 115.700 -0.694 0.000 2.666 293 S HA 0.288 4.758 4.470 -0.000 0.000 0.239 293 S C 0.230 174.657 174.600 -0.287 0.000 1.031 293 S CA -0.208 57.652 58.200 -0.567 0.000 1.015 293 S CB 1.524 64.579 63.200 -0.240 0.000 0.981 293 S HN 0.385 nan 8.310 nan 0.000 0.547 294 E N 0.282 120.436 120.200 -0.077 0.000 2.380 294 E HA 0.398 4.747 4.350 -0.000 0.000 0.281 294 E C -1.781 174.993 176.600 0.290 0.000 0.999 294 E CA -0.784 55.736 56.400 0.201 0.000 0.800 294 E CB 1.280 31.053 29.700 0.122 0.000 1.228 294 E HN 0.118 nan 8.360 nan 0.000 0.436 295 I N 3.337 124.033 120.570 0.209 0.000 2.396 295 I HA 0.177 4.347 4.170 -0.000 0.000 0.292 295 I C 0.792 176.826 176.117 -0.138 0.000 0.999 295 I CA 0.000 61.246 61.300 -0.090 0.000 1.310 295 I CB 1.308 39.026 38.000 -0.470 0.000 1.404 295 I HN 0.668 nan 8.210 nan 0.000 0.496 296 E N 2.973 123.087 120.200 -0.143 0.000 2.465 296 E HA 0.112 4.462 4.350 -0.000 0.000 0.209 296 E C 0.189 176.820 176.600 0.053 0.000 0.951 296 E CA 0.283 56.692 56.400 0.014 0.000 0.997 296 E CB 0.704 30.425 29.700 0.036 0.000 1.025 296 E HN 0.699 nan 8.360 nan 0.000 0.500 297 S N -0.259 115.376 115.700 -0.107 0.000 2.615 297 S HA 0.501 4.971 4.470 -0.000 0.000 0.268 297 S C -1.668 172.916 174.600 -0.027 0.000 1.146 297 S CA -1.060 57.190 58.200 0.083 0.000 0.818 297 S CB 1.272 64.588 63.200 0.194 0.000 1.111 297 S HN 0.011 nan 8.310 nan 0.000 0.465 298 L N 1.915 123.255 121.223 0.195 0.000 2.325 298 L HA 0.578 4.918 4.340 -0.000 0.000 0.281 298 L C -0.904 176.070 176.870 0.173 0.000 1.004 298 L CA -0.146 54.759 54.840 0.108 0.000 0.823 298 L CB 1.082 43.227 42.059 0.143 0.000 1.236 298 L HN 0.915 nan 8.230 nan 0.000 0.415 299 H N 6.283 125.308 119.070 -0.076 0.000 2.562 299 H HA 0.542 5.098 4.556 -0.000 0.000 0.314 299 H C -0.376 174.895 175.328 -0.094 0.000 1.079 299 H CA -0.564 55.443 56.048 -0.069 0.000 1.349 299 H CB 1.349 31.076 29.762 -0.058 0.000 1.432 299 H HN 0.690 nan 8.280 nan 0.000 0.479 300 I N -0.158 120.412 120.570 0.000 0.000 2.892 300 I HA 0.388 4.558 4.170 -0.000 0.000 0.306 300 I C -0.877 175.288 176.117 0.079 0.000 1.078 300 I CA -0.961 60.315 61.300 -0.040 0.000 1.032 300 I CB 3.025 40.886 38.000 -0.231 0.000 1.229 300 I HN 0.584 nan 8.210 nan 0.000 0.435 301 H N 2.502 121.563 119.070 -0.015 0.000 2.708 301 H HA 0.316 4.872 4.556 -0.000 0.000 0.320 301 H C -1.550 173.820 175.328 0.070 0.000 0.991 301 H CA -0.534 55.519 56.048 0.009 0.000 1.243 301 H CB 1.692 31.459 29.762 0.009 0.000 1.446 301 H HN 0.867 nan 8.280 nan 0.000 0.502 302 D N 4.914 125.304 120.400 -0.017 0.000 2.338 302 D HA 0.051 4.691 4.640 -0.000 0.000 0.255 302 D C 1.068 177.211 176.300 -0.262 0.000 1.237 302 D CA -0.177 53.810 54.000 -0.020 0.000 0.883 302 D CB 0.910 41.848 40.800 0.230 0.000 1.087 302 D HN 0.584 nan 8.370 nan 0.000 0.485 303 L N 4.236 125.330 121.223 -0.215 0.000 2.313 303 L HA -0.060 4.280 4.340 -0.000 0.000 0.214 303 L C 1.597 178.415 176.870 -0.088 0.000 1.119 303 L CA 0.070 54.774 54.840 -0.227 0.000 0.809 303 L CB -0.152 41.876 42.059 -0.053 0.000 0.933 303 L HN 0.649 nan 8.230 nan 0.000 0.449 304 I N -0.358 120.195 120.570 -0.029 0.000 2.206 304 I HA -0.174 3.996 4.170 -0.000 0.000 0.239 304 I C 2.780 178.908 176.117 0.018 0.000 1.078 304 I CA 1.779 63.086 61.300 0.011 0.000 1.367 304 I CB -1.271 36.749 38.000 0.034 0.000 1.078 304 I HN 0.276 nan 8.210 nan 0.000 0.413 305 S N 0.398 116.120 115.700 0.037 0.000 2.428 305 S HA 0.055 4.525 4.470 -0.000 0.000 0.230 305 S C 1.855 176.482 174.600 0.044 0.000 1.014 305 S CA 1.013 59.249 58.200 0.060 0.000 0.957 305 S CB -0.091 63.181 63.200 0.121 0.000 0.784 305 S HN 0.637 nan 8.310 nan 0.000 0.499 306 G N 0.785 109.590 108.800 0.008 0.000 2.195 306 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 306 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 306 G C -0.350 174.624 174.900 0.124 0.000 0.984 306 G CA 0.158 45.292 45.100 0.058 0.000 0.633 306 G HN 0.566 nan 8.290 nan 0.000 0.525 307 D N 0.474 120.886 120.400 0.020 0.000 2.329 307 D HA 0.570 5.210 4.640 -0.000 0.000 0.246 307 D C 0.917 177.039 176.300 -0.297 0.000 1.111 307 D CA 0.018 53.902 54.000 -0.193 0.000 0.941 307 D CB 0.632 41.216 40.800 -0.359 0.000 1.169 307 D HN 0.360 nan 8.370 nan 0.000 0.441 308 R N 0.667 120.857 120.500 -0.516 0.000 2.664 308 R HA 0.628 4.968 4.340 -0.000 0.000 0.286 308 R C -0.760 175.056 176.300 -0.808 0.000 0.967 308 R CA -0.623 55.221 56.100 -0.427 0.000 0.933 308 R CB 1.158 31.326 30.300 -0.220 0.000 1.146 308 R HN 0.289 nan 8.270 nan 0.000 0.468 309 F N -0.283 119.607 119.950 -0.100 0.000 2.664 309 F HA 0.382 4.909 4.527 -0.000 0.000 0.317 309 F C -0.065 175.614 175.800 -0.202 0.000 1.108 309 F CA -0.950 56.968 58.000 -0.137 0.000 0.957 309 F CB 1.845 40.778 39.000 -0.111 0.000 1.365 309 F HN 0.293 nan 8.300 nan 0.000 0.475 310 E N 1.645 121.860 120.200 0.026 0.000 2.227 310 E HA 0.637 4.986 4.350 -0.000 0.000 0.268 310 E C -1.403 175.234 176.600 0.060 0.000 0.907 310 E CA -0.892 55.493 56.400 -0.024 0.000 0.786 310 E CB 2.789 32.442 29.700 -0.078 0.000 1.191 310 E HN 0.198 nan 8.360 nan 0.000 0.411 311 I N 2.134 122.759 120.570 0.091 0.000 2.498 311 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 311 I C -0.305 175.950 176.117 0.231 0.000 1.032 311 I CA -0.997 60.384 61.300 0.135 0.000 1.073 311 I CB 1.448 39.489 38.000 0.067 0.000 1.251 311 I HN 0.388 nan 8.210 nan 0.000 0.426 312 K N 4.617 125.148 120.400 0.218 0.000 2.159 312 K HA 0.861 5.181 4.320 -0.000 0.000 0.266 312 K C -0.983 175.717 176.600 0.166 0.000 0.975 312 K CA -0.270 56.157 56.287 0.234 0.000 0.865 312 K CB 1.686 34.280 32.500 0.157 0.000 1.087 312 K HN 0.809 nan 8.250 nan 0.000 0.446 313 A N 2.749 125.593 122.820 0.040 0.000 2.569 313 A HA 0.422 4.742 4.320 -0.000 0.000 0.290 313 A C -0.447 177.048 177.584 -0.148 0.000 1.136 313 A CA -0.647 51.277 52.037 -0.189 0.000 0.710 313 A CB 0.970 19.600 19.000 -0.616 0.000 1.303 313 A HN 0.749 nan 8.150 nan 0.000 0.413 314 D N -0.574 119.765 120.400 -0.102 0.000 2.162 314 D HA 0.111 4.751 4.640 -0.000 0.000 0.203 314 D C 0.321 176.531 176.300 -0.150 0.000 0.967 314 D CA 1.654 55.650 54.000 -0.008 0.000 0.840 314 D CB 0.136 40.979 40.800 0.072 0.000 0.972 314 D HN 0.206 nan 8.370 nan 0.000 0.482 315 V N 0.683 120.374 119.914 -0.371 0.000 2.588 315 V HA 0.278 4.398 4.120 -0.000 0.000 0.304 315 V C -1.296 174.546 176.094 -0.420 0.000 1.042 315 V CA -0.875 61.213 62.300 -0.354 0.000 0.877 315 V CB 1.827 33.352 31.823 -0.497 0.000 0.996 315 V HN -0.052 nan 8.190 nan 0.000 0.425 316 Y N 2.943 123.234 120.300 -0.016 0.000 2.328 316 Y HA 0.677 5.227 4.550 -0.000 0.000 0.336 316 Y C -0.094 175.776 175.900 -0.050 0.000 0.960 316 Y CA -0.968 57.108 58.100 -0.039 0.000 1.134 316 Y CB 2.009 40.441 38.460 -0.047 0.000 1.166 316 Y HN 0.342 nan 8.280 nan 0.000 0.464 317 V N 5.525 125.408 119.914 -0.051 0.000 2.409 317 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 317 V C -0.383 175.579 176.094 -0.220 0.000 1.020 317 V CA -0.907 61.248 62.300 -0.242 0.000 0.848 317 V CB 1.580 33.039 31.823 -0.606 0.000 0.990 317 V HN 0.601 nan 8.190 nan 0.000 0.430 318 L N 5.268 126.355 121.223 -0.226 0.000 2.276 318 L HA 0.560 4.900 4.340 -0.000 0.000 0.286 318 L C 0.331 177.092 176.870 -0.181 0.000 1.024 318 L CA -0.166 54.561 54.840 -0.189 0.000 0.826 318 L CB 1.576 43.502 42.059 -0.221 0.000 1.211 318 L HN 0.820 nan 8.230 nan 0.000 0.422 319 T N -1.544 112.941 114.554 -0.114 0.000 3.624 319 T HA 0.364 4.714 4.350 -0.000 0.000 0.244 319 T C 0.604 175.307 174.700 0.005 0.000 1.063 319 T CA -0.143 61.930 62.100 -0.044 0.000 1.252 319 T CB 1.022 69.867 68.868 -0.038 0.000 1.021 319 T HN 0.525 nan 8.240 nan 0.000 0.590 320 A N 0.803 123.634 122.820 0.019 0.000 2.307 320 A HA 0.773 5.092 4.320 -0.000 0.000 0.218 320 A C 1.406 179.068 177.584 0.129 0.000 1.228 320 A CA 0.097 52.169 52.037 0.057 0.000 0.857 320 A CB -0.755 18.273 19.000 0.046 0.000 0.897 320 A HN 1.761 nan 8.150 nan 0.000 0.495 321 G N -2.426 106.452 108.800 0.131 0.000 2.699 321 G HA2 0.244 4.204 3.960 -0.000 0.000 0.686 321 G HA3 0.244 4.204 3.960 -0.000 0.000 0.686 321 G C 0.790 175.805 174.900 0.193 0.000 1.301 321 G CA -0.287 44.907 45.100 0.157 0.000 0.816 321 G HN 1.305 nan 8.290 nan 0.000 0.595 322 A N -0.348 122.573 122.820 0.167 0.000 1.940 322 A HA 0.166 4.486 4.320 -0.000 0.000 0.219 322 A C 2.676 180.356 177.584 0.160 0.000 1.176 322 A CA 3.315 55.444 52.037 0.153 0.000 0.631 322 A CB -0.408 18.650 19.000 0.096 0.000 0.814 322 A HN 1.611 nan 8.150 nan 0.000 0.446 323 V N -0.966 119.007 119.914 0.098 0.000 2.302 323 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 323 V C 2.260 178.358 176.094 0.007 0.000 1.036 323 V CA 2.227 64.537 62.300 0.017 0.000 1.020 323 V CB -1.044 30.672 31.823 -0.178 0.000 0.657 323 V HN 0.735 nan 8.190 nan 0.000 0.453 324 H N -0.191 118.961 119.070 0.137 0.000 2.470 324 H HA -0.032 4.523 4.556 -0.001 0.000 0.289 324 H C 2.285 177.614 175.328 0.002 0.000 1.033 324 H CA 1.053 57.137 56.048 0.060 0.000 1.331 324 H CB 0.033 29.811 29.762 0.026 0.000 1.414 324 H HN 0.317 nan 8.280 nan 0.000 0.545 325 N N -0.153 118.623 118.700 0.128 0.000 2.104 325 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 325 N C 1.720 177.210 175.510 -0.035 0.000 1.024 325 N CA 1.814 54.862 53.050 -0.002 0.000 0.853 325 N CB -0.456 38.003 38.487 -0.048 0.000 1.008 325 N HN 0.339 nan 8.380 nan 0.000 0.424 326 T N 0.586 115.196 114.554 0.094 0.000 2.821 326 T HA -0.138 4.211 4.350 -0.000 0.000 0.267 326 T C 1.826 176.382 174.700 -0.240 0.000 1.046 326 T CA 0.944 63.096 62.100 0.087 0.000 1.139 326 T CB -0.138 68.927 68.868 0.328 0.000 0.871 326 T HN 0.349 nan 8.240 nan 0.000 0.454 327 Q N 0.191 119.764 119.800 -0.377 0.000 2.084 327 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 327 Q C 2.282 178.007 176.000 -0.459 0.000 0.978 327 Q CA 1.129 56.399 55.803 -0.888 0.000 0.844 327 Q CB -0.210 28.314 28.738 -0.357 0.000 0.898 327 Q HN 0.367 nan 8.270 nan 0.000 0.426 328 L N 0.557 121.644 121.223 -0.227 0.000 2.109 328 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 328 L C 1.979 178.753 176.870 -0.160 0.000 1.086 328 L CA 1.428 56.171 54.840 -0.162 0.000 0.760 328 L CB -0.571 41.415 42.059 -0.122 0.000 0.910 328 L HN 0.293 nan 8.230 nan 0.000 0.437 329 L N -1.718 119.389 121.223 -0.193 0.000 2.017 329 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 329 L C 2.437 179.329 176.870 0.037 0.000 1.073 329 L CA 1.153 55.904 54.840 -0.148 0.000 0.745 329 L CB -0.690 41.177 42.059 -0.320 0.000 0.894 329 L HN 0.068 nan 8.230 nan 0.000 0.432 330 V N -0.087 119.773 119.914 -0.090 0.000 2.407 330 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 330 V C 2.064 178.125 176.094 -0.056 0.000 1.055 330 V CA 1.925 64.198 62.300 -0.044 0.000 1.049 330 V CB -0.721 31.038 31.823 -0.107 0.000 0.662 330 V HN 0.488 nan 8.190 nan 0.000 0.455 331 N N -0.053 118.570 118.700 -0.127 0.000 2.520 331 N HA -0.089 4.650 4.740 -0.000 0.000 0.185 331 N C 1.456 176.931 175.510 -0.057 0.000 1.068 331 N CA 1.035 54.033 53.050 -0.086 0.000 0.911 331 N CB -0.002 38.421 38.487 -0.106 0.000 0.961 331 N HN 0.386 nan 8.380 nan 0.000 0.446 332 S N -1.583 114.106 115.700 -0.018 0.000 2.554 332 S HA 0.347 4.817 4.470 -0.000 0.000 0.226 332 S C 1.007 175.569 174.600 -0.063 0.000 0.980 332 S CA 0.173 58.362 58.200 -0.018 0.000 0.939 332 S CB 0.691 63.934 63.200 0.071 0.000 0.832 332 S HN 0.515 nan 8.310 nan 0.000 0.486 333 G N 1.151 109.925 108.800 -0.042 0.000 2.159 333 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.227 333 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.227 333 G C -0.088 174.706 174.900 -0.177 0.000 0.986 333 G CA -0.548 44.475 45.100 -0.129 0.000 0.651 333 G HN 0.419 nan 8.290 nan 0.000 0.523 334 F N 0.901 120.820 119.950 -0.052 0.000 2.371 334 F HA 0.552 5.079 4.527 -0.000 0.000 0.329 334 F C 1.635 177.442 175.800 0.012 0.000 1.107 334 F CA 0.850 58.834 58.000 -0.025 0.000 1.137 334 F CB 0.982 39.940 39.000 -0.070 0.000 1.214 334 F HN 0.720 nan 8.300 nan 0.000 0.536 335 G N 1.840 110.786 108.800 0.244 0.000 2.594 335 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.297 335 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.297 335 G C -0.677 174.298 174.900 0.124 0.000 1.273 335 G CA 0.064 45.269 45.100 0.176 0.000 0.974 335 G HN 0.809 nan 8.290 nan 0.000 0.552 336 Q N -0.975 118.902 119.800 0.129 0.000 2.304 336 Q HA 0.622 4.962 4.340 -0.000 0.000 0.270 336 Q C -0.932 175.150 176.000 0.136 0.000 1.035 336 Q CA -0.984 54.876 55.803 0.095 0.000 0.781 336 Q CB 1.721 30.495 28.738 0.060 0.000 1.261 336 Q HN 0.780 nan 8.270 nan 0.000 0.444 337 L N 3.664 124.955 121.223 0.115 0.000 2.371 337 L HA 0.747 5.087 4.340 -0.000 0.000 0.272 337 L C 0.344 177.296 176.870 0.138 0.000 1.124 337 L CA 1.725 56.660 54.840 0.157 0.000 0.816 337 L CB 1.029 43.155 42.059 0.111 0.000 1.129 337 L HN 0.844 nan 8.230 nan 0.000 0.448 338 G N 3.644 112.585 108.800 0.235 0.000 2.660 338 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.247 338 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.247 338 G C -0.531 174.253 174.900 -0.193 0.000 1.328 338 G CA -0.218 44.975 45.100 0.156 0.000 0.884 338 G HN 0.901 nan 8.290 nan 0.000 0.531 339 R N 0.859 121.010 120.500 -0.581 0.000 2.449 339 R HA 0.377 4.717 4.340 -0.000 0.000 0.296 339 R C -1.937 173.920 176.300 -0.738 0.000 1.047 339 R CA -0.777 54.562 56.100 -1.268 0.000 1.018 339 R CB 0.016 29.848 30.300 -0.779 0.000 0.962 339 R HN 0.330 nan 8.270 nan 0.000 0.428 340 P HA -0.069 nan 4.420 nan 0.000 0.261 340 P C -1.175 175.970 177.300 -0.259 0.000 1.173 340 P CA 0.465 63.334 63.100 -0.386 0.000 0.760 340 P CB 0.416 31.916 31.700 -0.334 0.000 0.783 341 N N 4.410 123.013 118.700 -0.162 0.000 2.664 341 N HA 0.215 4.955 4.740 -0.000 0.000 0.257 341 N C -2.101 173.366 175.510 -0.072 0.000 1.108 341 N CA -2.353 50.630 53.050 -0.112 0.000 0.822 341 N CB 0.901 39.331 38.487 -0.096 0.000 1.199 341 N HN 0.088 nan 8.380 nan 0.000 0.529 342 P HA 0.039 nan 4.420 nan 0.000 0.237 342 P C 0.737 178.020 177.300 -0.028 0.000 1.178 342 P CA 0.366 63.441 63.100 -0.041 0.000 0.766 342 P CB 0.326 32.001 31.700 -0.042 0.000 0.876 343 A N 0.167 122.968 122.820 -0.032 0.000 2.119 343 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 343 A C 1.445 179.018 177.584 -0.019 0.000 1.153 343 A CA 0.698 52.721 52.037 -0.023 0.000 0.692 343 A CB -0.978 18.007 19.000 -0.025 0.000 0.799 343 A HN 0.313 nan 8.150 nan 0.000 0.458 344 N N 0.134 118.820 118.700 -0.022 0.000 2.765 344 N HA 0.235 4.975 4.740 -0.000 0.000 0.277 344 N C -3.188 172.316 175.510 -0.011 0.000 1.750 344 N CA -1.447 51.593 53.050 -0.016 0.000 0.827 344 N CB 0.936 39.411 38.487 -0.020 0.000 1.200 344 N HN -0.018 nan 8.380 nan 0.000 0.494 345 P HA 0.138 nan 4.420 nan 0.000 0.266 345 P C -2.517 174.793 177.300 0.017 0.000 1.195 345 P CA -0.632 62.473 63.100 0.008 0.000 0.768 345 P CB 0.201 31.909 31.700 0.014 0.000 0.838 346 P HA 0.154 nan 4.420 nan 0.000 0.275 346 P C 0.131 177.456 177.300 0.042 0.000 1.228 346 P CA 0.071 63.194 63.100 0.038 0.000 0.786 346 P CB 1.173 32.910 31.700 0.062 0.000 0.927 347 E N 0.040 120.259 120.200 0.032 0.000 2.415 347 E HA 0.070 4.420 4.350 -0.000 0.000 0.197 347 E C 0.009 176.641 176.600 0.053 0.000 1.007 347 E CA -0.068 56.352 56.400 0.034 0.000 0.890 347 E CB 0.145 29.854 29.700 0.016 0.000 0.891 347 E HN 0.195 nan 8.360 nan 0.000 0.496 348 L N 1.286 122.547 121.223 0.063 0.000 2.264 348 L HA 0.209 4.548 4.340 -0.000 0.000 0.289 348 L C -0.175 176.814 176.870 0.198 0.000 1.044 348 L CA 0.014 54.924 54.840 0.117 0.000 0.807 348 L CB 0.680 42.757 42.059 0.029 0.000 1.192 348 L HN 0.113 nan 8.230 nan 0.000 0.425 349 L N 6.924 128.291 121.223 0.240 0.000 3.746 349 L HA -0.194 4.146 4.340 -0.000 0.000 0.542 349 L C -1.333 175.652 176.870 0.191 0.000 1.268 349 L CA -0.356 54.632 54.840 0.246 0.000 0.818 349 L CB -0.746 41.497 42.059 0.307 0.000 1.472 349 L HN 0.593 nan 8.230 nan 0.000 0.843 350 P HA -0.124 nan 4.420 nan 0.000 0.222 350 P C 1.267 178.665 177.300 0.164 0.000 1.147 350 P CA 1.147 64.326 63.100 0.132 0.000 0.790 350 P CB 0.278 32.038 31.700 0.100 0.000 0.780 351 S N -0.678 115.139 115.700 0.195 0.000 2.593 351 S HA 0.054 4.523 4.470 -0.000 0.000 0.217 351 S C 0.842 175.601 174.600 0.265 0.000 0.966 351 S CA -0.386 57.978 58.200 0.273 0.000 0.914 351 S CB -0.727 62.624 63.200 0.252 0.000 0.776 351 S HN 0.060 nan 8.310 nan 0.000 0.523 352 L N 2.418 123.773 121.223 0.221 0.000 2.559 352 L HA 0.365 4.705 4.340 -0.000 0.000 0.274 352 L C 1.203 178.212 176.870 0.232 0.000 1.205 352 L CA 1.140 56.111 54.840 0.218 0.000 0.907 352 L CB -0.440 41.733 42.059 0.191 0.000 1.153 352 L HN 0.348 nan 8.230 nan 0.000 0.490 353 G N 2.419 111.366 108.800 0.245 0.000 2.184 353 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 353 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 353 G C 0.429 175.455 174.900 0.211 0.000 0.975 353 G CA 0.390 45.636 45.100 0.244 0.000 0.642 353 G HN 0.831 nan 8.290 nan 0.000 0.536 354 S N -1.532 114.298 115.700 0.216 0.000 2.704 354 S HA 0.649 5.119 4.470 -0.000 0.000 0.305 354 S C 0.365 175.118 174.600 0.254 0.000 1.107 354 S CA 0.054 58.326 58.200 0.119 0.000 0.993 354 S CB 0.958 64.138 63.200 -0.033 0.000 1.110 354 S HN 0.927 nan 8.310 nan 0.000 0.534 355 Y N -0.998 119.373 120.300 0.118 0.000 4.177 355 Y HA -0.212 4.338 4.550 -0.000 0.000 0.227 355 Y C 0.540 176.523 175.900 0.140 0.000 1.154 355 Y CA 0.211 58.379 58.100 0.113 0.000 1.887 355 Y CB -2.267 36.255 38.460 0.103 0.000 1.594 355 Y HN 0.627 nan 8.280 nan 0.000 0.668 356 I N 0.067 120.790 120.570 0.255 0.000 2.754 356 I HA 0.429 4.599 4.170 -0.000 0.000 0.285 356 I C 0.665 176.947 176.117 0.275 0.000 1.166 356 I CA 0.577 62.024 61.300 0.245 0.000 1.417 356 I CB 1.176 39.316 38.000 0.233 0.000 1.382 356 I HN 0.218 nan 8.210 nan 0.000 0.588 357 T N 1.891 116.566 114.554 0.202 0.000 2.886 357 T HA 0.671 5.021 4.350 -0.000 0.000 0.292 357 T C -0.733 173.989 174.700 0.036 0.000 1.012 357 T CA -0.707 61.500 62.100 0.178 0.000 0.982 357 T CB 1.939 70.867 68.868 0.099 0.000 1.018 357 T HN 0.850 nan 8.240 nan 0.000 0.451 358 E N 1.505 121.704 120.200 -0.002 0.000 2.314 358 E HA 0.375 4.725 4.350 -0.000 0.000 0.272 358 E C -1.042 175.672 176.600 0.191 0.000 0.884 358 E CA -0.543 55.819 56.400 -0.064 0.000 0.753 358 E CB 2.046 31.504 29.700 -0.403 0.000 1.213 358 E HN 0.702 nan 8.360 nan 0.000 0.432 359 Q N 1.270 121.190 119.800 0.199 0.000 2.293 359 Q HA 0.422 4.762 4.340 -0.000 0.000 0.251 359 Q C -0.468 175.725 176.000 0.323 0.000 0.930 359 Q CA -0.405 55.562 55.803 0.274 0.000 0.893 359 Q CB 1.280 30.204 28.738 0.310 0.000 1.215 359 Q HN 0.501 nan 8.270 nan 0.000 0.425 360 S N 1.735 117.554 115.700 0.198 0.000 2.562 360 S HA 0.263 4.733 4.470 -0.000 0.000 0.281 360 S C -0.619 174.022 174.600 0.068 0.000 1.333 360 S CA -0.426 57.770 58.200 -0.007 0.000 1.052 360 S CB 0.362 63.469 63.200 -0.156 0.000 0.884 360 S HN 0.360 nan 8.310 nan 0.000 0.506 361 L N 4.621 125.855 121.223 0.019 0.000 2.381 361 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 361 L C -0.809 175.929 176.870 -0.221 0.000 0.988 361 L CA -0.671 54.080 54.840 -0.149 0.000 0.824 361 L CB 1.651 43.606 42.059 -0.172 0.000 1.263 361 L HN 0.486 nan 8.230 nan 0.000 0.410 362 V N 2.080 121.782 119.914 -0.353 0.000 2.715 362 V HA 0.731 4.851 4.120 -0.000 0.000 0.310 362 V C -0.884 175.081 176.094 -0.215 0.000 1.054 362 V CA -0.687 61.329 62.300 -0.473 0.000 0.928 362 V CB 1.570 32.929 31.823 -0.774 0.000 1.007 362 V HN 0.781 nan 8.190 nan 0.000 0.437 363 F N 4.738 124.489 119.950 -0.332 0.000 2.588 363 F HA 0.894 5.418 4.527 -0.006 0.000 0.310 363 F C -0.329 175.353 175.800 -0.197 0.000 1.082 363 F CA -0.255 57.630 58.000 -0.193 0.000 0.929 363 F CB 1.703 40.620 39.000 -0.139 0.000 1.254 363 F HN 1.188 nan 8.300 nan 0.000 0.455 364 C N 2.542 121.209 119.300 -1.056 0.000 3.320 364 C HA 0.768 5.228 4.460 -0.000 0.000 0.335 364 C C -1.672 172.783 174.990 -0.892 0.000 1.430 364 C CA -0.720 57.664 59.018 -1.057 0.000 1.271 364 C CB 1.633 28.996 27.740 -0.627 0.000 1.609 364 C HN 0.971 nan 8.230 nan 0.000 0.457 365 Q N 0.679 120.207 119.800 -0.453 0.000 2.348 365 Q HA 0.763 5.103 4.340 -0.000 0.000 0.271 365 Q C -0.305 175.751 176.000 0.093 0.000 1.067 365 Q CA -0.232 55.545 55.803 -0.042 0.000 0.839 365 Q CB 2.634 31.366 28.738 -0.010 0.000 1.354 365 Q HN 0.940 nan 8.270 nan 0.000 0.447 366 T N -2.674 112.012 114.554 0.219 0.000 2.926 366 T HA 0.721 5.071 4.350 -0.000 0.000 0.289 366 T C -0.560 174.211 174.700 0.118 0.000 1.054 366 T CA -0.730 61.458 62.100 0.146 0.000 1.015 366 T CB 1.214 70.180 68.868 0.164 0.000 1.167 366 T HN 0.263 nan 8.240 nan 0.000 0.526 367 V N 2.142 122.090 119.914 0.057 0.000 2.378 367 V HA 0.412 4.531 4.120 -0.000 0.000 0.288 367 V C 0.175 176.287 176.094 0.029 0.000 1.016 367 V CA -0.909 61.416 62.300 0.042 0.000 0.840 367 V CB 1.155 32.991 31.823 0.021 0.000 0.994 367 V HN 1.027 nan 8.190 nan 0.000 0.431 368 M N 4.715 124.342 119.600 0.045 0.000 2.248 368 M HA 0.096 4.576 4.480 -0.000 0.000 0.343 368 M C 0.869 177.179 176.300 0.016 0.000 1.243 368 M CA 0.762 56.088 55.300 0.042 0.000 1.025 368 M CB 0.634 33.259 32.600 0.041 0.000 1.759 368 M HN 0.933 nan 8.290 nan 0.000 0.452 369 S N 2.508 118.214 115.700 0.009 0.000 2.572 369 S HA 0.120 4.590 4.470 -0.000 0.000 0.279 369 S C 1.013 175.615 174.600 0.003 0.000 1.341 369 S CA -0.202 57.993 58.200 -0.008 0.000 1.043 369 S CB 0.723 63.912 63.200 -0.018 0.000 0.887 369 S HN 0.807 nan 8.310 nan 0.000 0.516 370 T N 2.122 116.674 114.554 -0.003 0.000 2.699 370 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 370 T C 1.595 176.301 174.700 0.010 0.000 1.036 370 T CA 2.090 64.192 62.100 0.003 0.000 1.147 370 T CB -0.543 68.324 68.868 -0.002 0.000 0.862 370 T HN 0.797 nan 8.240 nan 0.000 0.446 371 E N 0.463 120.665 120.200 0.004 0.000 2.058 371 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 371 E C 2.261 178.876 176.600 0.025 0.000 0.997 371 E CA 0.981 57.386 56.400 0.009 0.000 0.801 371 E CB -0.287 29.412 29.700 -0.003 0.000 0.746 371 E HN 0.419 nan 8.360 nan 0.000 0.450 372 L N 0.696 121.936 121.223 0.028 0.000 2.046 372 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 372 L C 2.394 179.301 176.870 0.061 0.000 1.077 372 L CA 0.561 55.432 54.840 0.050 0.000 0.747 372 L CB -0.305 41.785 42.059 0.051 0.000 0.896 372 L HN 0.231 nan 8.230 nan 0.000 0.432 373 I N -0.180 120.415 120.570 0.041 0.000 2.252 373 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 373 I C 2.123 178.267 176.117 0.046 0.000 1.102 373 I CA 1.445 62.766 61.300 0.034 0.000 1.385 373 I CB -1.111 36.900 38.000 0.019 0.000 1.064 373 I HN 0.277 nan 8.210 nan 0.000 0.414 374 D N 0.627 121.054 120.400 0.045 0.000 2.178 374 D HA -0.126 4.513 4.640 -0.000 0.000 0.201 374 D C 2.364 178.709 176.300 0.074 0.000 0.980 374 D CA 1.575 55.606 54.000 0.051 0.000 0.842 374 D CB -0.050 40.773 40.800 0.037 0.000 0.948 374 D HN 0.370 nan 8.370 nan 0.000 0.472 375 S N 0.006 115.758 115.700 0.087 0.000 2.419 375 S HA -0.114 4.356 4.470 -0.000 0.000 0.233 375 S C 2.182 176.912 174.600 0.217 0.000 1.016 375 S CA 0.715 58.992 58.200 0.129 0.000 0.974 375 S CB -0.569 62.700 63.200 0.115 0.000 0.786 375 S HN 0.079 nan 8.310 nan 0.000 0.492 376 V N 2.979 123.006 119.914 0.189 0.000 2.469 376 V HA -0.181 3.939 4.120 -0.000 0.000 0.251 376 V C 2.138 178.331 176.094 0.165 0.000 1.064 376 V CA 2.158 64.593 62.300 0.225 0.000 1.066 376 V CB -0.874 30.999 31.823 0.083 0.000 0.667 376 V HN 0.813 nan 8.190 nan 0.000 0.461 377 K N 0.341 120.813 120.400 0.120 0.000 2.498 377 K HA 0.194 4.514 4.320 -0.000 0.000 0.207 377 K C 1.565 178.227 176.600 0.102 0.000 1.033 377 K CA 0.666 57.010 56.287 0.095 0.000 1.138 377 K CB 0.186 32.729 32.500 0.072 0.000 0.860 377 K HN 0.411 nan 8.250 nan 0.000 0.490 378 S N 0.671 116.456 115.700 0.142 0.000 2.442 378 S HA -0.151 4.319 4.470 -0.000 0.000 0.236 378 S C 1.033 175.672 174.600 0.064 0.000 1.007 378 S CA 1.126 59.382 58.200 0.093 0.000 0.965 378 S CB -0.196 63.050 63.200 0.077 0.000 0.773 378 S HN 0.284 nan 8.310 nan 0.000 0.504 379 D N 0.663 121.119 120.400 0.093 0.000 2.349 379 D HA 0.206 4.846 4.640 -0.000 0.000 0.215 379 D C 0.191 176.548 176.300 0.095 0.000 1.016 379 D CA 0.326 54.368 54.000 0.071 0.000 0.870 379 D CB -0.038 40.804 40.800 0.069 0.000 0.917 379 D HN 0.361 nan 8.370 nan 0.000 0.524 380 M N 0.439 120.090 119.600 0.085 0.000 2.235 380 M HA 0.182 4.662 4.480 -0.000 0.000 0.351 380 M C 0.254 176.587 176.300 0.055 0.000 1.178 380 M CA -0.010 55.343 55.300 0.088 0.000 1.143 380 M CB 0.990 33.631 32.600 0.068 0.000 1.530 380 M HN -0.349 nan 8.290 nan 0.000 0.461 381 T N 4.629 119.207 114.554 0.041 0.000 2.753 381 T HA 0.637 4.986 4.350 -0.000 0.000 0.297 381 T C 0.092 174.773 174.700 -0.031 0.000 0.981 381 T CA -0.304 61.800 62.100 0.006 0.000 0.956 381 T CB 0.191 69.059 68.868 -0.000 0.000 0.936 381 T HN 0.410 nan 8.240 nan 0.000 0.463 382 I N 4.210 124.761 120.570 -0.032 0.000 2.389 382 I HA 0.488 4.658 4.170 -0.000 0.000 0.288 382 I C 0.282 176.366 176.117 -0.056 0.000 0.999 382 I CA -0.774 60.479 61.300 -0.079 0.000 1.129 382 I CB 1.436 39.430 38.000 -0.010 0.000 1.288 382 I HN 0.316 nan 8.210 nan 0.000 0.444 383 R N 3.747 124.177 120.500 -0.115 0.000 2.750 383 R HA 0.781 5.121 4.340 -0.000 0.000 0.281 383 R C 0.020 176.346 176.300 0.043 0.000 0.972 383 R CA -0.573 55.510 56.100 -0.029 0.000 0.912 383 R CB 2.224 32.503 30.300 -0.036 0.000 1.187 383 R HN 0.862 nan 8.270 nan 0.000 0.464 384 G N 0.702 109.574 108.800 0.119 0.000 2.681 384 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 384 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 384 G C -0.711 174.366 174.900 0.296 0.000 1.353 384 G CA -0.362 44.857 45.100 0.199 0.000 0.872 384 G HN 0.710 nan 8.290 nan 0.000 0.557 385 T N -0.629 114.048 114.554 0.205 0.000 2.792 385 T HA 0.684 5.034 4.350 -0.000 0.000 0.280 385 T C -2.697 171.850 174.700 -0.255 0.000 0.990 385 T CA -1.496 60.618 62.100 0.024 0.000 0.960 385 T CB 2.257 71.121 68.868 -0.007 0.000 0.939 385 T HN 0.510 nan 8.240 nan 0.000 0.439 386 P HA 0.278 nan 4.420 nan 0.000 0.264 386 P C 1.228 178.268 177.300 -0.433 0.000 1.183 386 P CA 1.159 63.653 63.100 -1.011 0.000 0.763 386 P CB 0.232 31.507 31.700 -0.709 0.000 0.807 387 G N 1.422 110.022 108.800 -0.332 0.000 2.213 387 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.236 387 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.236 387 G C 0.015 174.874 174.900 -0.068 0.000 0.991 387 G CA -0.287 44.728 45.100 -0.141 0.000 0.629 387 G HN 0.552 nan 8.290 nan 0.000 0.517 388 E N -0.202 119.967 120.200 -0.052 0.000 2.232 388 E HA 0.605 4.955 4.350 -0.000 0.000 0.265 388 E C 1.393 178.026 176.600 0.055 0.000 1.001 388 E CA -0.809 55.595 56.400 0.006 0.000 0.870 388 E CB 1.266 30.972 29.700 0.011 0.000 1.175 388 E HN 0.049 nan 8.360 nan 0.000 0.407 389 L N 0.625 121.875 121.223 0.044 0.000 2.089 389 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 389 L C 2.287 179.197 176.870 0.067 0.000 1.079 389 L CA 2.022 56.890 54.840 0.048 0.000 0.758 389 L CB -0.811 41.267 42.059 0.032 0.000 0.891 389 L HN 0.689 nan 8.230 nan 0.000 0.433 390 T N -4.706 109.895 114.554 0.079 0.000 3.129 390 T HA -0.077 4.273 4.350 -0.000 0.000 0.251 390 T C 0.429 175.198 174.700 0.114 0.000 1.117 390 T CA -0.254 61.891 62.100 0.076 0.000 1.034 390 T CB -0.370 68.534 68.868 0.061 0.000 0.968 390 T HN 0.117 nan 8.240 nan 0.000 0.526 391 Y N 3.738 124.040 120.300 0.004 0.000 2.359 391 Y HA 0.445 4.995 4.550 0.000 0.000 0.330 391 Y C 0.144 176.048 175.900 0.008 0.000 1.143 391 Y CA -0.844 57.260 58.100 0.006 0.000 1.318 391 Y CB 0.585 39.048 38.460 0.005 0.000 1.234 391 Y HN 0.325 nan 8.280 nan 0.000 0.522 392 S N 4.146 119.548 115.700 -0.496 0.000 2.541 392 S HA 0.796 5.266 4.470 -0.000 0.000 0.271 392 S C -1.906 172.378 174.600 -0.527 0.000 1.133 392 S CA -0.978 56.976 58.200 -0.409 0.000 0.876 392 S CB 1.476 64.574 63.200 -0.170 0.000 1.105 392 S HN 0.486 nan 8.310 nan 0.000 0.470 393 V N 2.288 122.002 119.914 -0.333 0.000 2.525 393 V HA 0.825 4.945 4.120 -0.000 0.000 0.299 393 V C -0.104 175.963 176.094 -0.045 0.000 1.034 393 V CA -0.066 62.118 62.300 -0.194 0.000 0.863 393 V CB 1.442 33.185 31.823 -0.134 0.000 0.999 393 V HN 1.259 nan 8.190 nan 0.000 0.423 394 T N 1.863 116.418 114.554 0.002 0.000 2.896 394 T HA 0.873 5.223 4.350 -0.000 0.000 0.297 394 T C -1.101 173.684 174.700 0.143 0.000 1.108 394 T CA -0.725 61.402 62.100 0.045 0.000 1.004 394 T CB 2.351 71.199 68.868 -0.034 0.000 1.159 394 T HN 0.897 nan 8.240 nan 0.000 0.499 395 Y N -1.588 118.707 120.300 -0.008 0.000 2.615 395 Y HA 0.752 5.303 4.550 0.000 0.000 0.341 395 Y C -0.796 175.103 175.900 -0.002 0.000 1.089 395 Y CA -1.316 56.784 58.100 -0.001 0.000 1.049 395 Y CB 0.830 39.299 38.460 0.014 0.000 1.296 395 Y HN 0.657 nan 8.280 nan 0.000 0.470 396 T N 4.725 119.243 114.554 -0.061 0.000 2.747 396 T HA 0.355 4.705 4.350 -0.000 0.000 0.301 396 T C -2.722 171.938 174.700 -0.066 0.000 0.952 396 T CA -1.174 60.849 62.100 -0.130 0.000 0.983 396 T CB 0.373 69.222 68.868 -0.032 0.000 0.930 396 T HN 0.368 nan 8.240 nan 0.000 0.494 397 P HA 0.204 nan 4.420 nan 0.000 0.264 397 P C 1.130 178.467 177.300 0.063 0.000 1.193 397 P CA 0.660 63.776 63.100 0.028 0.000 0.763 397 P CB 0.331 32.002 31.700 -0.047 0.000 0.810 398 G N 2.146 111.013 108.800 0.112 0.000 2.189 398 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.267 398 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.267 398 G C 0.487 175.410 174.900 0.037 0.000 0.975 398 G CA 0.064 45.203 45.100 0.065 0.000 0.644 398 G HN 0.869 nan 8.290 nan 0.000 0.537 399 A N 0.596 123.439 122.820 0.039 0.000 2.520 399 A HA 0.605 4.925 4.320 -0.000 0.000 0.245 399 A C 1.772 179.355 177.584 -0.002 0.000 1.072 399 A CA 1.281 53.327 52.037 0.015 0.000 0.761 399 A CB 0.246 19.256 19.000 0.017 0.000 1.004 399 A HN 1.725 nan 8.150 nan 0.000 0.499 400 S N 1.611 117.305 115.700 -0.010 0.000 2.447 400 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 400 S C 1.386 175.962 174.600 -0.039 0.000 1.006 400 S CA 1.575 59.762 58.200 -0.022 0.000 0.957 400 S CB -0.822 62.367 63.200 -0.018 0.000 0.773 400 S HN 1.118 nan 8.310 nan 0.000 0.507 401 T N -0.724 113.809 114.554 -0.036 0.000 3.148 401 T HA 0.191 4.541 4.350 -0.000 0.000 0.253 401 T C 0.469 175.127 174.700 -0.071 0.000 1.134 401 T CA -0.420 61.651 62.100 -0.049 0.000 1.051 401 T CB -0.539 68.308 68.868 -0.035 0.000 0.959 401 T HN 0.198 nan 8.240 nan 0.000 0.525 402 N N 2.241 120.901 118.700 -0.067 0.000 2.479 402 N HA 0.175 4.915 4.740 -0.000 0.000 0.257 402 N C 0.997 176.380 175.510 -0.212 0.000 1.232 402 N CA -0.294 52.694 53.050 -0.103 0.000 0.920 402 N CB 0.898 39.351 38.487 -0.056 0.000 1.105 402 N HN 0.075 nan 8.380 nan 0.000 0.444 403 K N 0.852 121.034 120.400 -0.363 0.000 2.305 403 K HA 0.049 4.369 4.320 -0.000 0.000 0.199 403 K C 0.166 176.263 176.600 -0.838 0.000 1.047 403 K CA 1.020 56.935 56.287 -0.620 0.000 0.976 403 K CB -0.000 31.979 32.500 -0.868 0.000 0.765 403 K HN 0.572 nan 8.250 nan 0.000 0.474 404 H N 0.245 119.024 119.070 -0.484 0.000 2.621 404 H HA 0.333 4.889 4.556 -0.000 0.000 0.360 404 H C -2.280 172.771 175.328 -0.462 0.000 1.163 404 H CA -2.338 53.275 56.048 -0.724 0.000 1.194 404 H CB 1.493 30.458 29.762 -1.328 0.000 1.649 404 H HN -0.135 nan 8.280 nan 0.000 0.532 405 P HA 0.023 nan 4.420 nan 0.000 0.274 405 P C 0.310 177.490 177.300 -0.200 0.000 1.256 405 P CA -0.293 62.691 63.100 -0.192 0.000 0.795 405 P CB 1.272 32.895 31.700 -0.128 0.000 1.038 406 D N -0.031 120.363 120.400 -0.010 0.000 2.149 406 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 406 D C 1.901 178.237 176.300 0.061 0.000 0.990 406 D CA 1.297 55.342 54.000 0.074 0.000 0.839 406 D CB -0.537 40.391 40.800 0.212 0.000 0.948 406 D HN 0.605 nan 8.370 nan 0.000 0.460 407 W N 0.338 121.706 121.300 0.114 0.000 2.363 407 W HA -0.163 4.497 4.660 -0.001 0.000 0.296 407 W C 1.975 178.561 176.519 0.111 0.000 1.212 407 W CA 0.265 57.671 57.345 0.101 0.000 1.260 407 W CB -1.377 28.140 29.460 0.095 0.000 1.131 407 W HN 0.067 nan 8.180 nan 0.000 0.530 408 W N 3.462 124.219 121.300 -0.905 0.000 2.354 408 W HA -0.186 4.474 4.660 0.000 0.000 0.315 408 W C 1.921 178.121 176.519 -0.532 0.000 1.206 408 W CA 1.882 58.654 57.345 -0.955 0.000 1.290 408 W CB -1.043 27.658 29.460 -1.266 0.000 1.152 408 W HN -0.089 nan 8.180 nan 0.000 0.489 409 N N 0.905 119.513 118.700 -0.154 0.000 2.223 409 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 409 N C 1.478 176.675 175.510 -0.523 0.000 1.016 409 N CA 1.752 54.520 53.050 -0.470 0.000 0.863 409 N CB -0.561 37.291 38.487 -1.060 0.000 0.983 409 N HN 0.218 nan 8.380 nan 0.000 0.429 410 E N 1.440 121.477 120.200 -0.272 0.000 2.072 410 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 410 E C 1.654 178.284 176.600 0.050 0.000 0.985 410 E CA 1.250 57.673 56.400 0.037 0.000 0.801 410 E CB 0.036 29.842 29.700 0.177 0.000 0.750 410 E HN 0.217 nan 8.360 nan 0.000 0.452 411 K N -0.648 119.769 120.400 0.028 0.000 2.057 411 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 411 K C 2.062 178.650 176.600 -0.020 0.000 1.049 411 K CA 1.336 57.637 56.287 0.023 0.000 0.931 411 K CB -0.098 32.412 32.500 0.017 0.000 0.714 411 K HN 0.005 nan 8.250 nan 0.000 0.440 412 V N 1.535 121.388 119.914 -0.101 0.000 2.307 412 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 412 V C 2.300 178.417 176.094 0.038 0.000 1.045 412 V CA 1.643 63.899 62.300 -0.074 0.000 1.024 412 V CB -0.371 31.382 31.823 -0.118 0.000 0.651 412 V HN 0.329 nan 8.190 nan 0.000 0.449 413 K N 0.280 120.700 120.400 0.034 0.000 2.044 413 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 413 K C 2.039 178.702 176.600 0.105 0.000 1.049 413 K CA 2.043 58.388 56.287 0.096 0.000 0.927 413 K CB -0.232 32.378 32.500 0.184 0.000 0.713 413 K HN 0.435 nan 8.250 nan 0.000 0.443 414 N N 0.160 118.926 118.700 0.111 0.000 2.166 414 N HA -0.186 4.553 4.740 -0.000 0.000 0.186 414 N C 1.775 177.364 175.510 0.132 0.000 1.019 414 N CA 1.375 54.492 53.050 0.111 0.000 0.856 414 N CB -0.537 38.020 38.487 0.116 0.000 0.993 414 N HN 0.434 nan 8.380 nan 0.000 0.426 415 H N 0.861 119.969 119.070 0.065 0.000 2.293 415 H HA 0.080 4.635 4.556 -0.000 0.000 0.300 415 H C 2.133 177.524 175.328 0.106 0.000 1.082 415 H CA 1.771 57.869 56.048 0.083 0.000 1.308 415 H CB -0.097 29.611 29.762 -0.089 0.000 1.375 415 H HN 0.078 nan 8.280 nan 0.000 0.495 416 M N -0.795 118.835 119.600 0.050 0.000 2.213 416 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 416 M C 1.743 178.105 176.300 0.102 0.000 1.062 416 M CA 1.215 56.553 55.300 0.065 0.000 1.105 416 M CB 0.031 32.725 32.600 0.156 0.000 1.385 416 M HN 0.369 nan 8.290 nan 0.000 0.417 417 M N -0.568 119.080 119.600 0.080 0.000 2.394 417 M HA -0.054 4.426 4.480 -0.000 0.000 0.266 417 M C 1.822 178.121 176.300 -0.002 0.000 1.098 417 M CA 1.502 56.856 55.300 0.090 0.000 1.149 417 M CB -0.777 31.860 32.600 0.062 0.000 1.369 417 M HN 0.312 nan 8.290 nan 0.000 0.450 418 Q N -0.890 118.859 119.800 -0.084 0.000 2.398 418 Q HA -0.018 4.322 4.340 -0.000 0.000 0.204 418 Q C 0.008 175.659 176.000 -0.582 0.000 0.932 418 Q CA 0.652 56.289 55.803 -0.276 0.000 0.916 418 Q CB 0.451 29.033 28.738 -0.259 0.000 1.024 418 Q HN 0.537 nan 8.270 nan 0.000 0.504 419 H N 0.152 119.153 119.070 -0.115 0.000 2.439 419 H HA 0.201 4.758 4.556 0.000 0.000 0.230 419 H C 0.131 175.379 175.328 -0.133 0.000 1.420 419 H CA -0.082 55.894 56.048 -0.121 0.000 1.305 419 H CB 0.547 30.170 29.762 -0.232 0.000 1.667 419 H HN 0.232 nan 8.280 nan 0.000 0.515 420 Q N 0.601 120.380 119.800 -0.034 0.000 2.436 420 Q HA -0.095 4.245 4.340 -0.000 0.000 0.209 420 Q C 1.863 177.823 176.000 -0.065 0.000 0.965 420 Q CA 0.699 56.456 55.803 -0.077 0.000 0.910 420 Q CB 0.450 29.115 28.738 -0.122 0.000 0.980 420 Q HN 0.529 nan 8.270 nan 0.000 0.491 421 E N 0.978 121.180 120.200 0.004 0.000 2.427 421 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 421 E C -0.352 176.285 176.600 0.062 0.000 1.028 421 E CA 0.575 56.992 56.400 0.028 0.000 0.864 421 E CB 0.045 29.779 29.700 0.058 0.000 0.813 421 E HN 0.149 nan 8.360 nan 0.000 0.514 422 D N 1.734 122.185 120.400 0.086 0.000 2.233 422 D HA 0.151 4.791 4.640 -0.000 0.000 0.240 422 D C -1.685 174.663 176.300 0.080 0.000 1.074 422 D CA -2.241 51.836 54.000 0.128 0.000 0.838 422 D CB 1.736 42.650 40.800 0.191 0.000 1.124 422 D HN -0.179 nan 8.370 nan 0.000 0.475 423 P HA 0.128 nan 4.420 nan 0.000 0.255 423 P C -0.263 177.075 177.300 0.063 0.000 1.248 423 P CA 0.082 63.215 63.100 0.056 0.000 0.807 423 P CB 0.413 32.138 31.700 0.043 0.000 1.150 424 L N 1.962 123.232 121.223 0.078 0.000 2.331 424 L HA 0.385 4.725 4.340 -0.000 0.000 0.275 424 L C -1.311 175.584 176.870 0.042 0.000 1.022 424 L CA -2.264 52.593 54.840 0.030 0.000 0.812 424 L CB 2.277 44.318 42.059 -0.031 0.000 1.257 424 L HN -0.294 nan 8.230 nan 0.000 0.435 425 P HA 0.084 nan 4.420 nan 0.000 0.255 425 P C 0.216 177.340 177.300 -0.293 0.000 1.248 425 P CA 0.540 63.618 63.100 -0.037 0.000 0.807 425 P CB 0.486 32.175 31.700 -0.018 0.000 1.150 426 I N 2.602 122.905 120.570 -0.445 0.000 2.342 426 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 426 I C -2.102 173.483 176.117 -0.885 0.000 1.010 426 I CA -2.851 58.132 61.300 -0.528 0.000 1.308 426 I CB 0.978 38.776 38.000 -0.337 0.000 1.400 426 I HN -0.217 nan 8.210 nan 0.000 0.488 427 P HA 0.032 nan 4.420 nan 0.000 0.269 427 P C 0.288 177.329 177.300 -0.431 0.000 1.215 427 P CA -0.016 62.695 63.100 -0.648 0.000 0.780 427 P CB 0.409 31.962 31.700 -0.245 0.000 0.898 428 F N 0.293 120.142 119.950 -0.168 0.000 2.171 428 F HA -0.093 4.433 4.527 -0.001 0.000 0.300 428 F C 1.770 177.531 175.800 -0.066 0.000 1.090 428 F CA 1.549 59.486 58.000 -0.106 0.000 1.293 428 F CB -0.823 38.127 39.000 -0.084 0.000 1.013 428 F HN 0.377 nan 8.300 nan 0.000 0.486 429 E N 0.083 120.364 120.200 0.134 0.000 2.335 429 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 429 E C -0.373 176.244 176.600 0.028 0.000 1.077 429 E CA -0.248 56.200 56.400 0.079 0.000 1.010 429 E CB -0.341 29.404 29.700 0.075 0.000 1.141 429 E HN 0.182 nan 8.360 nan 0.000 0.452 430 D N 2.221 122.619 120.400 -0.004 0.000 2.417 430 D HA 0.040 4.680 4.640 -0.000 0.000 0.250 430 D C -2.301 174.015 176.300 0.026 0.000 1.166 430 D CA -1.661 52.325 54.000 -0.024 0.000 0.881 430 D CB 0.826 41.576 40.800 -0.082 0.000 1.164 430 D HN -0.104 nan 8.370 nan 0.000 0.467 431 P HA 0.068 nan 4.420 nan 0.000 0.271 431 P C -0.382 177.031 177.300 0.188 0.000 1.233 431 P CA -0.307 62.876 63.100 0.138 0.000 0.789 431 P CB 0.364 32.133 31.700 0.114 0.000 0.951 432 E N 2.281 122.618 120.200 0.228 0.000 2.371 432 E HA 0.233 4.583 4.350 -0.000 0.000 0.257 432 E C -2.460 174.180 176.600 0.067 0.000 1.134 432 E CA -2.057 54.403 56.400 0.100 0.000 0.919 432 E CB -0.654 29.061 29.700 0.025 0.000 1.025 432 E HN 0.241 nan 8.360 nan 0.000 0.438 433 P HA 0.081 nan 4.420 nan 0.000 0.275 433 P C -0.522 176.794 177.300 0.026 0.000 1.228 433 P CA -0.103 63.080 63.100 0.138 0.000 0.786 433 P CB 0.521 32.260 31.700 0.064 0.000 0.927 434 Q N 1.182 121.095 119.800 0.187 0.000 3.394 434 Q HA 0.303 4.643 4.340 -0.000 0.000 0.285 434 Q C -0.874 175.225 176.000 0.164 0.000 0.866 434 Q CA -0.357 55.430 55.803 -0.027 0.000 0.844 434 Q CB 1.134 29.610 28.738 -0.436 0.000 1.472 434 Q HN 0.199 nan 8.270 nan 0.000 0.401 435 V N 0.479 120.445 119.914 0.087 0.000 2.630 435 V HA 0.738 4.858 4.120 -0.000 0.000 0.305 435 V C 0.206 176.314 176.094 0.023 0.000 1.046 435 V CA -0.442 61.899 62.300 0.068 0.000 0.934 435 V CB 2.042 33.852 31.823 -0.022 0.000 1.003 435 V HN 0.412 nan 8.190 nan 0.000 0.451 436 T N 1.627 116.224 114.554 0.072 0.000 2.916 436 T HA 0.479 4.828 4.350 -0.000 0.000 0.305 436 T C -0.896 173.784 174.700 -0.033 0.000 1.119 436 T CA -0.315 61.782 62.100 -0.004 0.000 1.008 436 T CB 1.812 70.671 68.868 -0.014 0.000 1.129 436 T HN 0.838 nan 8.240 nan 0.000 0.480 437 T N 4.900 119.327 114.554 -0.212 0.000 2.772 437 T HA 0.602 4.952 4.350 -0.000 0.000 0.288 437 T C -0.068 174.528 174.700 -0.172 0.000 0.994 437 T CA -0.613 61.216 62.100 -0.451 0.000 0.951 437 T CB -0.123 68.107 68.868 -1.063 0.000 0.933 437 T HN 0.514 nan 8.240 nan 0.000 0.447 438 L N 4.404 125.583 121.223 -0.073 0.000 2.452 438 L HA 0.404 4.744 4.340 -0.000 0.000 0.267 438 L C 0.767 177.647 176.870 0.017 0.000 1.188 438 L CA -0.954 53.914 54.840 0.047 0.000 0.821 438 L CB 0.226 42.301 42.059 0.026 0.000 1.102 438 L HN 0.623 nan 8.230 nan 0.000 0.470 439 F N 2.746 122.626 119.950 -0.117 0.000 2.604 439 F HA -0.060 4.467 4.527 -0.001 0.000 0.390 439 F C 0.215 175.746 175.800 -0.447 0.000 1.053 439 F CA 0.474 58.305 58.000 -0.283 0.000 1.256 439 F CB 0.137 39.026 39.000 -0.184 0.000 0.996 439 F HN 0.383 nan 8.300 nan 0.000 0.564 440 Q N 6.543 125.844 119.800 -0.832 0.000 2.501 440 Q HA 0.269 4.609 4.340 -0.000 0.000 0.288 440 Q C -2.054 173.488 176.000 -0.763 0.000 1.051 440 Q CA -1.781 53.625 55.803 -0.660 0.000 0.788 440 Q CB 1.357 29.598 28.738 -0.828 0.000 1.469 440 Q HN 0.246 nan 8.270 nan 0.000 0.416 441 P HA -0.200 nan 4.420 nan 0.000 0.216 441 P C 1.276 178.360 177.300 -0.361 0.000 1.150 441 P CA 2.058 64.985 63.100 -0.289 0.000 0.843 441 P CB 0.231 31.854 31.700 -0.128 0.000 0.787 442 S N -1.214 114.278 115.700 -0.347 0.000 2.489 442 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 442 S C 0.612 175.022 174.600 -0.317 0.000 0.995 442 S CA 0.205 58.268 58.200 -0.228 0.000 0.934 442 S CB -1.226 61.932 63.200 -0.069 0.000 0.771 442 S HN 0.425 nan 8.310 nan 0.000 0.522 443 H N -1.131 117.495 119.070 -0.740 0.000 2.490 443 H HA 0.479 5.035 4.556 -0.000 0.000 0.230 443 H C -3.126 171.063 175.328 -1.898 0.000 1.417 443 H CA -1.792 53.436 56.048 -1.366 0.000 1.449 443 H CB 0.466 29.714 29.762 -0.858 0.000 1.649 443 H HN 0.097 nan 8.280 nan 0.000 0.519 444 P HA 0.050 nan 4.420 nan 0.000 0.225 444 P C -1.214 175.466 177.300 -1.033 0.000 1.768 444 P CA 0.247 62.226 63.100 -1.868 0.000 0.943 444 P CB -1.077 30.063 31.700 -0.934 0.000 1.936 445 W N -0.479 120.544 121.300 -0.462 0.000 3.167 445 W HA 0.537 5.198 4.660 0.003 0.000 0.324 445 W C -0.814 175.814 176.519 0.181 0.000 1.230 445 W CA -1.397 55.989 57.345 0.067 0.000 1.184 445 W CB 0.013 29.535 29.460 0.103 0.000 1.414 445 W HN -0.024 nan 8.180 nan 0.000 0.551 446 H N 1.103 120.447 119.070 0.457 0.000 2.551 446 H HA 0.658 5.214 4.556 -0.000 0.000 0.358 446 H C -0.111 175.387 175.328 0.284 0.000 1.151 446 H CA 0.544 56.760 56.048 0.280 0.000 1.374 446 H CB 1.398 31.255 29.762 0.158 0.000 1.473 446 H HN 0.586 nan 8.280 nan 0.000 0.574 447 T N 2.150 116.362 114.554 -0.570 0.000 2.876 447 T HA 0.502 4.852 4.350 -0.000 0.000 0.289 447 T C -0.792 173.593 174.700 -0.526 0.000 1.014 447 T CA -1.118 60.655 62.100 -0.545 0.000 0.986 447 T CB 1.652 70.096 68.868 -0.706 0.000 1.021 447 T HN 0.682 nan 8.240 nan 0.000 0.458 448 Q N 1.810 121.515 119.800 -0.158 0.000 2.304 448 Q HA 0.581 4.921 4.340 -0.000 0.000 0.270 448 Q C -1.214 174.696 176.000 -0.149 0.000 1.035 448 Q CA -0.680 54.963 55.803 -0.266 0.000 0.781 448 Q CB 2.652 31.077 28.738 -0.521 0.000 1.261 448 Q HN 0.718 nan 8.270 nan 0.000 0.444 449 I N 3.459 123.913 120.570 -0.193 0.000 2.495 449 I HA 0.382 4.552 4.170 -0.000 0.000 0.277 449 I C -0.494 175.537 176.117 -0.143 0.000 1.045 449 I CA -0.315 60.758 61.300 -0.379 0.000 1.135 449 I CB 0.497 38.118 38.000 -0.632 0.000 1.241 449 I HN 0.753 nan 8.210 nan 0.000 0.469 450 H N 3.582 122.482 119.070 -0.284 0.000 2.888 450 H HA 0.630 5.186 4.556 0.000 0.000 0.267 450 H C -1.282 173.981 175.328 -0.109 0.000 1.482 450 H CA -1.347 54.604 56.048 -0.161 0.000 1.165 450 H CB 1.340 31.028 29.762 -0.123 0.000 1.866 450 H HN 0.114 nan 8.280 nan 0.000 0.599 451 R N 1.373 121.682 120.500 -0.317 0.000 2.451 451 R HA 0.283 4.623 4.340 -0.000 0.000 0.307 451 R C -1.415 174.635 176.300 -0.417 0.000 0.965 451 R CA -0.699 55.197 56.100 -0.341 0.000 0.865 451 R CB 1.428 31.645 30.300 -0.138 0.000 1.174 451 R HN 0.716 nan 8.270 nan 0.000 0.455 452 D N 1.347 121.463 120.400 -0.473 0.000 2.163 452 D HA 0.374 5.014 4.640 -0.000 0.000 0.248 452 D C 0.751 176.968 176.300 -0.138 0.000 1.035 452 D CA -0.274 53.555 54.000 -0.285 0.000 0.872 452 D CB 2.117 42.794 40.800 -0.204 0.000 1.183 452 D HN 0.470 nan 8.370 nan 0.000 0.445 453 A N 4.204 126.973 122.820 -0.085 0.000 1.845 453 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 453 A C 1.345 178.923 177.584 -0.010 0.000 1.195 453 A CA 0.899 52.934 52.037 -0.003 0.000 0.616 453 A CB -0.729 18.338 19.000 0.111 0.000 0.832 453 A HN 0.685 nan 8.150 nan 0.000 0.443 462 S N 0.220 115.935 115.700 0.026 0.000 2.436 462 S HA 0.100 4.570 4.470 -0.000 0.000 0.228 462 S C 0.882 175.499 174.600 0.028 0.000 1.014 462 S CA 0.379 58.594 58.200 0.025 0.000 0.950 462 S CB 0.308 63.521 63.200 0.022 0.000 0.784 462 S HN 0.206 nan 8.310 nan 0.000 0.504 463 I N 2.785 123.374 120.570 0.031 0.000 2.353 463 I HA 0.278 4.448 4.170 -0.000 0.000 0.293 463 I C 0.293 176.433 176.117 0.038 0.000 0.992 463 I CA -1.015 60.305 61.300 0.033 0.000 1.268 463 I CB 0.986 39.006 38.000 0.033 0.000 1.387 463 I HN 0.186 nan 8.210 nan 0.000 0.478 464 D N 4.035 124.460 120.400 0.042 0.000 2.487 464 D HA -0.063 4.577 4.640 -0.000 0.000 0.243 464 D C 1.184 177.511 176.300 0.047 0.000 1.154 464 D CA 0.198 54.228 54.000 0.051 0.000 0.876 464 D CB 1.159 41.994 40.800 0.058 0.000 1.161 464 D HN 0.651 nan 8.370 nan 0.000 0.478 465 S N 4.306 120.036 115.700 0.050 0.000 2.419 465 S HA -0.192 4.278 4.470 -0.000 0.000 0.235 465 S C 1.683 176.305 174.600 0.037 0.000 1.019 465 S CA 0.607 58.833 58.200 0.044 0.000 0.982 465 S CB -0.056 63.171 63.200 0.045 0.000 0.789 465 S HN 0.554 nan 8.310 nan 0.000 0.490 466 R N 0.737 121.258 120.500 0.034 0.000 2.241 466 R HA 0.140 4.480 4.340 -0.000 0.000 0.224 466 R C 1.722 178.026 176.300 0.007 0.000 1.101 466 R CA 1.119 57.224 56.100 0.009 0.000 0.995 466 R CB -0.531 29.756 30.300 -0.021 0.000 0.870 466 R HN 0.466 nan 8.270 nan 0.000 0.463 467 L N 0.191 121.427 121.223 0.021 0.000 2.446 467 L HA 0.139 4.479 4.340 -0.000 0.000 0.219 467 L C 0.650 177.547 176.870 0.045 0.000 1.116 467 L CA 0.109 54.966 54.840 0.028 0.000 0.844 467 L CB 0.137 42.213 42.059 0.028 0.000 0.970 467 L HN 0.046 nan 8.230 nan 0.000 0.457 468 I N 0.389 120.986 120.570 0.045 0.000 2.365 468 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 468 I C -0.604 175.546 176.117 0.054 0.000 1.004 468 I CA -0.340 60.995 61.300 0.059 0.000 1.311 468 I CB 1.587 39.618 38.000 0.052 0.000 1.401 468 I HN -0.282 nan 8.210 nan 0.000 0.491 469 V N 5.041 125.010 119.914 0.092 0.000 2.638 469 V HA 0.308 4.427 4.120 -0.000 0.000 0.306 469 V C -0.745 175.378 176.094 0.048 0.000 1.052 469 V CA -0.856 61.461 62.300 0.029 0.000 0.885 469 V CB 2.104 33.952 31.823 0.042 0.000 0.999 469 V HN 0.584 nan 8.190 nan 0.000 0.424 470 D N 2.569 122.927 120.400 -0.070 0.000 2.264 470 D HA 0.474 5.114 4.640 -0.000 0.000 0.249 470 D C -0.987 175.256 176.300 -0.096 0.000 1.070 470 D CA 0.144 54.160 54.000 0.027 0.000 0.912 470 D CB 1.264 42.074 40.800 0.018 0.000 1.193 470 D HN 0.447 nan 8.370 nan 0.000 0.427 471 W N 1.243 122.575 121.300 0.053 0.000 2.619 471 W HA 0.446 5.104 4.660 -0.003 0.000 0.327 471 W C 0.094 176.701 176.519 0.147 0.000 1.027 471 W CA -0.840 56.569 57.345 0.107 0.000 1.233 471 W CB 1.228 30.646 29.460 -0.071 0.000 1.370 471 W HN -0.068 nan 8.180 nan 0.000 0.453 472 R N 2.795 123.553 120.500 0.431 0.000 2.502 472 R HA 0.553 4.893 4.340 -0.000 0.000 0.300 472 R C -1.512 174.978 176.300 0.316 0.000 0.984 472 R CA -0.872 55.359 56.100 0.219 0.000 0.882 472 R CB 1.706 32.064 30.300 0.098 0.000 1.180 472 R HN 0.168 nan 8.270 nan 0.000 0.444 473 F N 2.966 122.769 119.950 -0.246 0.000 2.469 473 F HA 0.498 5.026 4.527 0.001 0.000 0.332 473 F C -0.407 175.268 175.800 -0.207 0.000 1.103 473 F CA -1.379 56.562 58.000 -0.098 0.000 0.979 473 F CB 1.124 40.026 39.000 -0.162 0.000 1.137 473 F HN 0.307 nan 8.300 nan 0.000 0.463 474 F N 1.430 121.565 119.950 0.309 0.000 2.427 474 F HA 0.634 5.163 4.527 0.002 0.000 0.348 474 F C 0.632 176.643 175.800 0.350 0.000 1.125 474 F CA -1.184 57.001 58.000 0.308 0.000 0.989 474 F CB 1.384 40.620 39.000 0.392 0.000 1.165 474 F HN 0.518 nan 8.300 nan 0.000 0.442 475 G N 2.272 111.311 108.800 0.399 0.000 2.451 475 G HA2 0.603 4.563 3.960 -0.000 0.000 0.303 475 G HA3 0.603 4.563 3.960 -0.000 0.000 0.303 475 G C -0.727 174.364 174.900 0.319 0.000 1.166 475 G CA -1.037 44.285 45.100 0.371 0.000 0.884 475 G HN 0.704 nan 8.290 nan 0.000 0.514 476 R N -0.579 120.107 120.500 0.309 0.000 2.404 476 R HA 0.624 4.963 4.340 -0.000 0.000 0.291 476 R C -0.938 175.463 176.300 0.167 0.000 1.025 476 R CA -0.550 55.658 56.100 0.180 0.000 0.991 476 R CB 1.149 31.574 30.300 0.208 0.000 1.053 476 R HN 0.256 nan 8.270 nan 0.000 0.479 477 T N 2.558 117.178 114.554 0.109 0.000 2.770 477 T HA 0.149 4.498 4.350 -0.000 0.000 0.283 477 T C -0.689 174.093 174.700 0.136 0.000 0.988 477 T CA -0.731 61.479 62.100 0.183 0.000 0.957 477 T CB 1.161 70.207 68.868 0.296 0.000 0.930 477 T HN 0.571 nan 8.240 nan 0.000 0.443 478 E N 4.620 124.903 120.200 0.140 0.000 2.480 478 E HA 0.075 4.425 4.350 -0.000 0.000 0.258 478 E C -2.125 174.558 176.600 0.137 0.000 0.984 478 E CA -1.268 55.206 56.400 0.123 0.000 0.930 478 E CB 0.186 29.949 29.700 0.105 0.000 0.936 478 E HN 0.309 nan 8.360 nan 0.000 0.466 479 P HA 0.049 nan 4.420 nan 0.000 0.271 479 P C -0.858 176.600 177.300 0.263 0.000 1.226 479 P CA 0.188 63.431 63.100 0.237 0.000 0.765 479 P CB 0.658 32.516 31.700 0.262 0.000 0.835 480 K N 2.503 123.012 120.400 0.182 0.000 2.464 480 K HA 0.175 4.494 4.320 -0.000 0.000 0.253 480 K C 0.855 177.306 176.600 -0.247 0.000 0.933 480 K CA -0.695 55.616 56.287 0.040 0.000 0.801 480 K CB 2.369 34.850 32.500 -0.031 0.000 1.271 480 K HN 0.436 nan 8.250 nan 0.000 0.430 481 E N 2.009 121.911 120.200 -0.497 0.000 2.153 481 E HA -0.195 4.154 4.350 -0.000 0.000 0.194 481 E C 1.000 177.350 176.600 -0.416 0.000 0.988 481 E CA 1.386 57.233 56.400 -0.921 0.000 0.811 481 E CB 0.482 29.829 29.700 -0.589 0.000 0.746 481 E HN 0.548 nan 8.360 nan 0.000 0.466 482 E N 0.330 120.392 120.200 -0.231 0.000 2.347 482 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 482 E C 0.006 176.551 176.600 -0.091 0.000 1.008 482 E CA 0.337 56.657 56.400 -0.134 0.000 0.852 482 E CB -0.262 29.374 29.700 -0.106 0.000 0.783 482 E HN 0.070 nan 8.360 nan 0.000 0.505 483 N N 1.977 120.617 118.700 -0.100 0.000 2.408 483 N HA 0.187 4.927 4.740 -0.000 0.000 0.257 483 N C -0.808 174.771 175.510 0.115 0.000 1.064 483 N CA 0.117 53.167 53.050 -0.000 0.000 0.952 483 N CB 1.129 39.591 38.487 -0.042 0.000 1.093 483 N HN 0.112 nan 8.380 nan 0.000 0.490 484 K N 1.132 121.652 120.400 0.200 0.000 2.469 484 K HA 0.465 4.785 4.320 -0.000 0.000 0.254 484 K C -1.153 175.610 176.600 0.272 0.000 0.939 484 K CA -0.907 55.514 56.287 0.225 0.000 0.812 484 K CB 2.382 35.015 32.500 0.222 0.000 1.301 484 K HN 0.175 nan 8.250 nan 0.000 0.433 485 L N 4.027 125.360 121.223 0.184 0.000 2.298 485 L HA 0.548 4.888 4.340 -0.000 0.000 0.284 485 L C -1.277 175.539 176.870 -0.090 0.000 1.013 485 L CA -0.096 54.696 54.840 -0.080 0.000 0.824 485 L CB 0.436 42.451 42.059 -0.073 0.000 1.221 485 L HN 0.685 nan 8.230 nan 0.000 0.418 486 W N 3.689 124.731 121.300 -0.429 0.000 2.929 486 W HA 0.651 5.312 4.660 0.001 0.000 0.345 486 W C -2.081 174.009 176.519 -0.715 0.000 1.151 486 W CA -1.216 55.930 57.345 -0.332 0.000 1.111 486 W CB 0.865 30.265 29.460 -0.100 0.000 1.449 486 W HN 0.322 nan 8.180 nan 0.000 0.572 487 F N 1.487 121.600 119.950 0.272 0.000 2.520 487 F HA 0.331 4.858 4.527 0.001 0.000 0.322 487 F C 0.837 176.797 175.800 0.266 0.000 1.103 487 F CA -0.939 57.113 58.000 0.088 0.000 0.926 487 F CB 2.106 41.144 39.000 0.065 0.000 1.154 487 F HN 0.276 nan 8.300 nan 0.000 0.453 488 S N 0.998 116.846 115.700 0.246 0.000 2.562 488 S HA 0.046 4.516 4.470 -0.000 0.000 0.281 488 S C 0.710 175.459 174.600 0.249 0.000 1.333 488 S CA -0.538 57.842 58.200 0.299 0.000 1.052 488 S CB 0.357 63.638 63.200 0.134 0.000 0.884 488 S HN 0.680 nan 8.310 nan 0.000 0.506 489 D N 2.586 123.118 120.400 0.220 0.000 2.340 489 D HA 0.046 4.686 4.640 -0.000 0.000 0.220 489 D C 1.000 177.361 176.300 0.101 0.000 1.039 489 D CA 0.322 54.405 54.000 0.139 0.000 0.866 489 D CB 0.005 40.868 40.800 0.106 0.000 0.913 489 D HN 0.727 nan 8.370 nan 0.000 0.523 490 K N -0.592 119.872 120.400 0.106 0.000 2.550 490 K HA 0.129 4.449 4.320 -0.000 0.000 0.205 490 K C 0.181 176.822 176.600 0.068 0.000 1.429 490 K CA -0.352 55.981 56.287 0.076 0.000 0.997 490 K CB 0.475 33.017 32.500 0.070 0.000 1.328 490 K HN -0.106 nan 8.250 nan 0.000 0.546 491 I N 4.128 124.742 120.570 0.074 0.000 2.474 491 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 491 I C 0.404 176.555 176.117 0.057 0.000 1.048 491 I CA -0.000 61.332 61.300 0.054 0.000 1.383 491 I CB 0.998 39.020 38.000 0.037 0.000 1.412 491 I HN 0.311 nan 8.210 nan 0.000 0.531 492 T N 1.483 116.067 114.554 0.049 0.000 2.930 492 T HA 0.622 4.972 4.350 -0.000 0.000 0.290 492 T C -0.367 174.367 174.700 0.056 0.000 1.052 492 T CA -0.914 61.221 62.100 0.059 0.000 1.017 492 T CB 2.361 71.259 68.868 0.050 0.000 1.137 492 T HN 0.539 nan 8.240 nan 0.000 0.511 493 D N 0.402 120.851 120.400 0.083 0.000 2.511 493 D HA 0.490 5.130 4.640 -0.000 0.000 0.276 493 D C 1.586 177.926 176.300 0.066 0.000 1.220 493 D CA -0.485 53.571 54.000 0.092 0.000 1.077 493 D CB 0.081 40.974 40.800 0.155 0.000 1.126 493 D HN 0.645 nan 8.370 nan 0.000 0.583 494 A N -1.329 121.520 122.820 0.048 0.000 2.125 494 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 494 A C 1.174 178.604 177.584 -0.256 0.000 1.156 494 A CA 0.891 52.861 52.037 -0.111 0.000 0.671 494 A CB -0.979 17.911 19.000 -0.183 0.000 0.794 494 A HN 0.552 nan 8.150 nan 0.000 0.459 495 Y N -0.631 119.695 120.300 0.042 0.000 2.625 495 Y HA 0.209 4.758 4.550 -0.001 0.000 0.285 495 Y C 0.468 176.388 175.900 0.033 0.000 1.168 495 Y CA -0.129 57.999 58.100 0.046 0.000 1.250 495 Y CB -0.599 37.883 38.460 0.035 0.000 1.130 495 Y HN 0.506 nan 8.280 nan 0.000 0.526 496 N N -0.727 118.036 118.700 0.104 0.000 2.747 496 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 496 N C -0.627 174.923 175.510 0.066 0.000 1.107 496 N CA 0.471 53.555 53.050 0.057 0.000 0.707 496 N CB -0.746 37.748 38.487 0.012 0.000 1.054 496 N HN 0.188 nan 8.380 nan 0.000 0.555 497 M N -0.389 119.272 119.600 0.103 0.000 2.654 497 M HA 0.447 4.927 4.480 -0.000 0.000 0.310 497 M C -2.223 174.138 176.300 0.102 0.000 1.211 497 M CA -2.057 53.293 55.300 0.084 0.000 0.947 497 M CB 0.627 33.282 32.600 0.090 0.000 1.647 497 M HN -0.304 nan 8.290 nan 0.000 0.481 498 P HA 0.008 nan 4.420 nan 0.000 0.264 498 P C -0.669 176.784 177.300 0.255 0.000 1.193 498 P CA 0.056 63.252 63.100 0.160 0.000 0.763 498 P CB 0.251 32.050 31.700 0.164 0.000 0.810 499 Q N 6.791 126.685 119.800 0.156 0.000 2.286 499 Q HA 0.167 4.507 4.340 -0.000 0.000 0.267 499 Q C -2.252 173.701 176.000 -0.078 0.000 1.028 499 Q CA -1.949 53.889 55.803 0.060 0.000 0.901 499 Q CB -0.175 28.550 28.738 -0.022 0.000 1.183 499 Q HN 0.297 nan 8.270 nan 0.000 0.392 500 P HA 0.139 nan 4.420 nan 0.000 0.271 500 P C -1.064 175.718 177.300 -0.864 0.000 1.218 500 P CA -0.197 62.449 63.100 -0.757 0.000 0.780 500 P CB 1.085 32.431 31.700 -0.589 0.000 0.901 501 T N 2.524 116.332 114.554 -1.244 0.000 2.971 501 T HA 0.485 4.835 4.350 -0.000 0.000 0.304 501 T C -0.663 173.319 174.700 -1.195 0.000 1.038 501 T CA -0.115 61.263 62.100 -1.204 0.000 1.007 501 T CB 0.489 68.350 68.868 -1.680 0.000 1.055 501 T HN 0.063 nan 8.240 nan 0.000 0.451 502 F N 1.881 121.547 119.950 -0.474 0.000 2.397 502 F HA 0.581 5.108 4.527 -0.000 0.000 0.331 502 F C 0.615 176.371 175.800 -0.074 0.000 1.090 502 F CA -0.941 56.914 58.000 -0.243 0.000 1.065 502 F CB 1.131 40.038 39.000 -0.155 0.000 1.184 502 F HN 0.404 nan 8.300 nan 0.000 0.499 503 D N 2.944 123.526 120.400 0.303 0.000 2.358 503 D HA 0.245 4.885 4.640 -0.000 0.000 0.253 503 D C -1.833 174.610 176.300 0.237 0.000 1.288 503 D CA -0.093 54.067 54.000 0.267 0.000 0.950 503 D CB 0.435 41.418 40.800 0.304 0.000 1.197 503 D HN 0.301 nan 8.370 nan 0.000 0.550 504 F N 3.102 123.051 119.950 -0.000 0.000 2.596 504 F HA 0.582 5.108 4.527 -0.001 0.000 0.311 504 F C -1.284 174.414 175.800 -0.170 0.000 1.116 504 F CA -0.571 57.362 58.000 -0.112 0.000 0.957 504 F CB 1.454 40.326 39.000 -0.214 0.000 1.250 504 F HN 0.044 nan 8.300 nan 0.000 0.444 505 R N 4.328 124.328 120.500 -0.833 0.000 2.698 505 R HA 0.347 4.687 4.340 -0.000 0.000 0.275 505 R C -1.674 174.032 176.300 -0.990 0.000 1.001 505 R CA -0.936 54.782 56.100 -0.636 0.000 0.896 505 R CB 1.865 32.000 30.300 -0.276 0.000 1.218 505 R HN 0.585 nan 8.270 nan 0.000 0.462 506 F N 2.904 122.633 119.950 -0.369 0.000 2.571 506 F HA 0.145 4.671 4.527 -0.002 0.000 0.384 506 F C -1.352 174.324 175.800 -0.205 0.000 1.058 506 F CA -1.057 56.807 58.000 -0.227 0.000 1.200 506 F CB -0.162 38.824 39.000 -0.024 0.000 1.077 506 F HN 0.131 nan 8.300 nan 0.000 0.558 507 P HA 0.054 nan 4.420 nan 0.000 0.264 507 P C -0.476 176.838 177.300 0.023 0.000 1.183 507 P CA 0.013 63.095 63.100 -0.029 0.000 0.763 507 P CB 0.521 32.222 31.700 0.002 0.000 0.807 508 A N 2.949 125.768 122.820 -0.001 0.000 2.366 508 A HA 0.590 4.910 4.320 -0.000 0.000 0.250 508 A C 1.139 178.737 177.584 0.024 0.000 1.099 508 A CA 0.719 52.761 52.037 0.009 0.000 0.794 508 A CB -0.837 18.161 19.000 -0.004 0.000 1.056 508 A HN 0.811 nan 8.150 nan 0.000 0.499 509 G N -0.157 108.659 108.800 0.026 0.000 2.545 509 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.240 509 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.240 509 G C 1.069 175.998 174.900 0.050 0.000 1.172 509 G CA 0.732 45.853 45.100 0.035 0.000 0.949 509 G HN 0.968 nan 8.290 nan 0.000 0.574 510 R N -0.087 120.449 120.500 0.061 0.000 2.083 510 R HA -0.075 4.265 4.340 -0.000 0.000 0.237 510 R C 2.841 179.198 176.300 0.096 0.000 1.137 510 R CA 2.675 58.821 56.100 0.078 0.000 0.951 510 R CB -0.909 29.440 30.300 0.081 0.000 0.851 510 R HN 0.623 nan 8.270 nan 0.000 0.434 511 T N 0.058 114.673 114.554 0.101 0.000 2.720 511 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 511 T C 1.920 176.674 174.700 0.090 0.000 1.037 511 T CA 1.841 64.016 62.100 0.125 0.000 1.144 511 T CB -0.155 68.808 68.868 0.157 0.000 0.864 511 T HN 0.262 nan 8.240 nan 0.000 0.444 512 S N 0.435 116.171 115.700 0.060 0.000 2.377 512 S HA 0.007 4.477 4.470 -0.000 0.000 0.223 512 S C 2.011 176.623 174.600 0.019 0.000 1.030 512 S CA 0.878 59.084 58.200 0.011 0.000 0.970 512 S CB -0.148 63.053 63.200 0.002 0.000 0.830 512 S HN 0.516 nan 8.310 nan 0.000 0.473 513 K N 1.517 121.944 120.400 0.045 0.000 2.009 513 K HA -0.156 4.164 4.320 -0.000 0.000 0.210 513 K C 1.922 178.577 176.600 0.093 0.000 1.049 513 K CA 1.624 57.946 56.287 0.059 0.000 0.929 513 K CB -0.147 32.393 32.500 0.066 0.000 0.714 513 K HN 0.325 nan 8.250 nan 0.000 0.440 514 E N -0.294 119.986 120.200 0.134 0.000 2.110 514 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 514 E C 1.947 178.639 176.600 0.154 0.000 0.988 514 E CA 0.949 57.485 56.400 0.227 0.000 0.804 514 E CB -0.097 29.768 29.700 0.275 0.000 0.745 514 E HN 0.487 nan 8.360 nan 0.000 0.458 515 A N 1.209 124.086 122.820 0.095 0.000 1.930 515 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 515 A C 2.050 179.695 177.584 0.102 0.000 1.175 515 A CA 1.514 53.600 52.037 0.082 0.000 0.627 515 A CB -0.266 18.749 19.000 0.025 0.000 0.815 515 A HN 0.080 nan 8.150 nan 0.000 0.443 516 E N 0.650 120.895 120.200 0.076 0.000 2.107 516 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 516 E C 1.280 177.857 176.600 -0.038 0.000 0.982 516 E CA 1.377 57.816 56.400 0.067 0.000 0.809 516 E CB -0.303 29.417 29.700 0.034 0.000 0.756 516 E HN 0.515 nan 8.360 nan 0.000 0.459 517 D N -0.241 120.136 120.400 -0.039 0.000 2.178 517 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 517 D C 1.906 177.953 176.300 -0.422 0.000 0.980 517 D CA 0.919 54.879 54.000 -0.067 0.000 0.842 517 D CB -0.270 40.618 40.800 0.147 0.000 0.948 517 D HN 0.314 nan 8.370 nan 0.000 0.472 518 M N -0.204 118.939 119.600 -0.761 0.000 2.132 518 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 518 M C 2.073 177.928 176.300 -0.741 0.000 1.065 518 M CA 1.151 55.643 55.300 -1.347 0.000 1.122 518 M CB 0.006 32.018 32.600 -0.979 0.000 1.365 518 M HN -0.059 nan 8.290 nan 0.000 0.411 519 M N 0.550 119.849 119.600 -0.501 0.000 2.082 519 M HA -0.176 4.304 4.480 -0.000 0.000 0.258 519 M C 1.769 177.841 176.300 -0.380 0.000 1.069 519 M CA 2.492 57.502 55.300 -0.484 0.000 1.102 519 M CB -1.019 31.357 32.600 -0.373 0.000 1.336 519 M HN 0.283 nan 8.290 nan 0.000 0.404 520 T N -0.127 114.275 114.554 -0.253 0.000 2.788 520 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 520 T C 1.476 176.092 174.700 -0.141 0.000 1.044 520 T CA 1.715 63.723 62.100 -0.154 0.000 1.139 520 T CB -0.593 68.232 68.868 -0.072 0.000 0.867 520 T HN 0.525 nan 8.240 nan 0.000 0.454 521 D N 0.592 120.899 120.400 -0.155 0.000 2.144 521 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 521 D C 2.028 178.292 176.300 -0.059 0.000 0.984 521 D CA 0.843 54.865 54.000 0.037 0.000 0.834 521 D CB -0.199 40.754 40.800 0.255 0.000 0.955 521 D HN 0.302 nan 8.370 nan 0.000 0.465 522 M N -0.620 118.671 119.600 -0.515 0.000 2.132 522 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 522 M C 1.895 177.898 176.300 -0.494 0.000 1.065 522 M CA 1.248 55.991 55.300 -0.929 0.000 1.122 522 M CB -0.096 31.715 32.600 -1.315 0.000 1.365 522 M HN 0.170 nan 8.290 nan 0.000 0.411 523 C N -0.306 118.802 119.300 -0.320 0.000 2.429 523 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 523 C C 2.663 177.563 174.990 -0.149 0.000 1.262 523 C CA 0.743 59.677 59.018 -0.140 0.000 1.733 523 C CB -0.963 26.744 27.740 -0.055 0.000 2.010 523 C HN 0.488 nan 8.230 nan 0.000 0.483 524 V N 0.705 120.558 119.914 -0.103 0.000 2.295 524 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 524 V C 2.414 178.486 176.094 -0.038 0.000 1.049 524 V CA 2.368 64.638 62.300 -0.051 0.000 1.024 524 V CB -0.658 31.183 31.823 0.030 0.000 0.648 524 V HN 0.594 nan 8.190 nan 0.000 0.447 525 M N 0.625 120.247 119.600 0.036 0.000 2.132 525 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 525 M C 2.462 178.647 176.300 -0.192 0.000 1.065 525 M CA 2.210 57.605 55.300 0.158 0.000 1.122 525 M CB -0.171 32.695 32.600 0.442 0.000 1.365 525 M HN 0.559 nan 8.290 nan 0.000 0.411 526 S N 0.680 115.959 115.700 -0.701 0.000 2.382 526 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 526 S C 2.051 176.273 174.600 -0.630 0.000 1.027 526 S CA 1.006 58.390 58.200 -1.360 0.000 0.991 526 S CB -0.981 61.170 63.200 -1.748 0.000 0.823 526 S HN 0.579 nan 8.310 nan 0.000 0.469 527 A N 2.166 124.710 122.820 -0.460 0.000 2.093 527 A HA -0.148 4.172 4.320 -0.000 0.000 0.222 527 A C 2.173 179.633 177.584 -0.207 0.000 1.162 527 A CA 1.729 53.557 52.037 -0.348 0.000 0.655 527 A CB -0.657 18.159 19.000 -0.306 0.000 0.805 527 A HN 0.674 nan 8.150 nan 0.000 0.461 528 K N -0.948 119.371 120.400 -0.134 0.000 2.366 528 K HA 0.066 4.386 4.320 -0.000 0.000 0.198 528 K C 1.165 177.754 176.600 -0.018 0.000 1.044 528 K CA 0.661 56.912 56.287 -0.060 0.000 0.973 528 K CB 0.026 32.523 32.500 -0.005 0.000 0.767 528 K HN 0.427 nan 8.250 nan 0.000 0.475 529 I N -0.583 119.990 120.570 0.006 0.000 3.039 529 I HA 0.142 4.312 4.170 -0.000 0.000 0.270 529 I C 1.099 177.233 176.117 0.029 0.000 1.150 529 I CA 0.573 61.925 61.300 0.086 0.000 1.448 529 I CB 0.027 38.212 38.000 0.309 0.000 1.197 529 I HN 0.061 nan 8.210 nan 0.000 0.450 530 G N -0.560 108.208 108.800 -0.053 0.000 2.368 530 G HA2 0.464 4.424 3.960 -0.000 0.000 0.293 530 G HA3 0.464 4.424 3.960 -0.000 0.000 0.293 530 G C -0.574 174.190 174.900 -0.226 0.000 1.467 530 G CA -0.179 44.866 45.100 -0.091 0.000 0.804 530 G HN 0.265 nan 8.290 nan 0.000 0.535 531 G N -0.955 107.705 108.800 -0.233 0.000 2.569 531 G HA2 0.504 4.464 3.960 -0.000 0.000 0.249 531 G HA3 0.504 4.464 3.960 -0.000 0.000 0.249 531 G C -0.168 174.567 174.900 -0.274 0.000 1.216 531 G CA -0.392 44.484 45.100 -0.373 0.000 0.845 531 G HN 0.442 nan 8.290 nan 0.000 0.568 532 F N -0.544 119.316 119.950 -0.149 0.000 2.553 532 F HA 0.180 4.708 4.527 0.002 0.000 0.356 532 F C 0.740 176.482 175.800 -0.097 0.000 1.142 532 F CA -0.787 57.119 58.000 -0.156 0.000 1.322 532 F CB 0.631 39.526 39.000 -0.173 0.000 1.126 532 F HN 0.190 nan 8.300 nan 0.000 0.599 533 L N 5.973 127.269 121.223 0.120 0.000 2.361 533 L HA 0.394 4.734 4.340 -0.000 0.000 0.278 533 L C -2.392 174.509 176.870 0.050 0.000 1.113 533 L CA -1.869 53.009 54.840 0.063 0.000 0.849 533 L CB 0.017 42.105 42.059 0.049 0.000 1.155 533 L HN 0.288 nan 8.230 nan 0.000 0.452 534 P HA 0.172 nan 4.420 nan 0.000 0.264 534 P C 0.641 177.954 177.300 0.021 0.000 1.183 534 P CA 1.094 64.210 63.100 0.028 0.000 0.763 534 P CB 0.615 32.329 31.700 0.024 0.000 0.807 535 G N 1.873 110.679 108.800 0.010 0.000 2.205 535 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.261 535 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.261 535 G C 0.488 175.407 174.900 0.031 0.000 0.980 535 G CA 0.276 45.386 45.100 0.017 0.000 0.632 535 G HN 0.533 nan 8.290 nan 0.000 0.533 536 S N 0.707 116.410 115.700 0.006 0.000 2.474 536 S HA 0.525 4.995 4.470 -0.000 0.000 0.224 536 S C 0.424 174.910 174.600 -0.191 0.000 1.209 536 S CA -0.545 57.645 58.200 -0.016 0.000 1.212 536 S CB 0.256 63.454 63.200 -0.002 0.000 1.137 536 S HN 0.455 nan 8.310 nan 0.000 0.446 537 L N 2.425 123.530 121.223 -0.198 0.000 2.439 537 L HA 0.414 4.754 4.340 -0.000 0.000 0.261 537 L C -2.113 174.455 176.870 -0.503 0.000 1.153 537 L CA -2.435 52.168 54.840 -0.395 0.000 0.808 537 L CB 0.084 41.982 42.059 -0.269 0.000 1.126 537 L HN 0.067 nan 8.230 nan 0.000 0.460 538 P HA 0.013 nan 4.420 nan 0.000 0.263 538 P C -1.424 175.639 177.300 -0.395 0.000 1.195 538 P CA 0.115 62.825 63.100 -0.650 0.000 0.762 538 P CB 0.431 31.650 31.700 -0.802 0.000 0.799 539 Q N 2.013 121.626 119.800 -0.311 0.000 2.435 539 Q HA 0.486 4.826 4.340 -0.000 0.000 0.282 539 Q C -1.406 174.453 176.000 -0.235 0.000 1.020 539 Q CA -0.905 54.794 55.803 -0.173 0.000 0.820 539 Q CB 0.837 29.547 28.738 -0.047 0.000 1.436 539 Q HN 0.099 nan 8.270 nan 0.000 0.395 540 F N 1.506 121.395 119.950 -0.101 0.000 2.443 540 F HA 0.298 4.823 4.527 -0.004 0.000 0.353 540 F C 0.540 176.303 175.800 -0.063 0.000 1.101 540 F CA -0.334 57.608 58.000 -0.097 0.000 1.226 540 F CB 0.949 39.882 39.000 -0.113 0.000 1.140 540 F HN 0.391 nan 8.300 nan 0.000 0.557 541 M N 1.577 121.235 119.600 0.096 0.000 2.288 541 M HA 0.186 4.666 4.480 -0.000 0.000 0.334 541 M C 0.036 176.374 176.300 0.064 0.000 1.150 541 M CA -0.991 54.328 55.300 0.031 0.000 1.118 541 M CB 0.554 33.126 32.600 -0.048 0.000 1.501 541 M HN 0.460 nan 8.290 nan 0.000 0.462 542 E N 2.443 122.657 120.200 0.023 0.000 2.608 542 E HA -0.001 4.348 4.350 -0.000 0.000 0.259 542 E C -2.212 174.409 176.600 0.035 0.000 0.951 542 E CA -0.370 56.044 56.400 0.023 0.000 0.945 542 E CB -0.344 29.349 29.700 -0.013 0.000 0.916 542 E HN 0.223 nan 8.360 nan 0.000 0.477 543 P HA 0.014 nan 4.420 nan 0.000 0.263 543 P C 0.660 177.903 177.300 -0.096 0.000 1.195 543 P CA 1.100 64.243 63.100 0.071 0.000 0.762 543 P CB 0.666 32.406 31.700 0.066 0.000 0.799 544 G N 2.664 111.406 108.800 -0.097 0.000 2.199 544 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.254 544 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.254 544 G C 0.760 175.610 174.900 -0.084 0.000 0.982 544 G CA 0.205 45.206 45.100 -0.166 0.000 0.632 544 G HN 0.534 nan 8.290 nan 0.000 0.529 545 L N 0.987 122.178 121.223 -0.055 0.000 2.187 545 L HA 0.124 4.464 4.340 -0.000 0.000 0.213 545 L C 2.780 179.627 176.870 -0.039 0.000 1.100 545 L CA 2.539 57.352 54.840 -0.046 0.000 0.765 545 L CB -0.346 41.680 42.059 -0.055 0.000 0.904 545 L HN 0.483 nan 8.230 nan 0.000 0.437 546 V N -0.157 119.729 119.914 -0.046 0.000 2.720 546 V HA -0.157 3.963 4.120 -0.000 0.000 0.256 546 V C 1.520 177.533 176.094 -0.135 0.000 1.082 546 V CA 1.147 63.390 62.300 -0.095 0.000 1.101 546 V CB -0.329 31.451 31.823 -0.071 0.000 0.693 546 V HN 0.501 nan 8.190 nan 0.000 0.479 547 L N 0.167 121.386 121.223 -0.006 0.000 3.597 547 L HA -0.244 4.096 4.340 -0.000 0.000 0.440 547 L C 0.306 177.349 176.870 0.289 0.000 1.277 547 L CA 0.885 55.792 54.840 0.113 0.000 0.852 547 L CB -2.525 39.627 42.059 0.155 0.000 1.708 547 L HN 0.567 nan 8.230 nan 0.000 0.885 548 H N -0.810 118.364 119.070 0.173 0.000 2.492 548 H HA 0.286 4.843 4.556 0.002 0.000 0.264 548 H C 0.495 175.958 175.328 0.224 0.000 1.150 548 H CA -1.048 55.145 56.048 0.242 0.000 0.962 548 H CB 0.779 30.727 29.762 0.310 0.000 1.766 548 H HN 0.219 nan 8.280 nan 0.000 0.589 549 L N 1.920 123.285 121.223 0.238 0.000 2.540 549 L HA 0.228 4.568 4.340 -0.000 0.000 0.276 549 L C 0.588 177.590 176.870 0.220 0.000 1.212 549 L CA 0.769 55.695 54.840 0.144 0.000 0.893 549 L CB 0.382 42.486 42.059 0.075 0.000 1.138 549 L HN 0.279 nan 8.230 nan 0.000 0.491 550 G N 1.791 110.730 108.800 0.231 0.000 2.798 550 G HA2 0.533 4.493 3.960 -0.000 0.000 0.286 550 G HA3 0.533 4.493 3.960 -0.000 0.000 0.286 550 G C 0.317 175.319 174.900 0.171 0.000 1.389 550 G CA -0.331 44.928 45.100 0.265 0.000 0.894 550 G HN 1.326 nan 8.290 nan 0.000 0.488 551 G N -1.380 107.493 108.800 0.121 0.000 2.168 551 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.263 551 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.263 551 G C 1.382 176.340 174.900 0.097 0.000 0.977 551 G CA 1.689 46.861 45.100 0.120 0.000 0.659 551 G HN 1.890 nan 8.290 nan 0.000 0.533 552 T N -2.046 112.516 114.554 0.012 0.000 2.915 552 T HA 0.094 4.444 4.350 -0.000 0.000 0.269 552 T C 1.124 175.896 174.700 0.120 0.000 1.071 552 T CA 1.883 64.029 62.100 0.075 0.000 1.132 552 T CB -0.289 68.631 68.868 0.086 0.000 0.878 552 T HN 1.458 nan 8.240 nan 0.000 0.479 553 H N -0.101 119.041 119.070 0.120 0.000 2.712 553 H HA 0.477 5.033 4.556 -0.000 0.000 0.226 553 H C -0.078 175.291 175.328 0.068 0.000 1.422 553 H CA -1.317 54.775 56.048 0.074 0.000 1.270 553 H CB -0.322 29.447 29.762 0.013 0.000 1.891 553 H HN 0.384 nan 8.280 nan 0.000 0.518 554 R N 0.810 121.391 120.500 0.135 0.000 2.641 554 R HA 0.303 4.643 4.340 -0.000 0.000 0.269 554 R C -0.430 175.931 176.300 0.101 0.000 1.074 554 R CA -0.715 55.439 56.100 0.090 0.000 1.133 554 R CB 0.991 31.337 30.300 0.076 0.000 1.029 554 R HN 0.469 nan 8.270 nan 0.000 0.488 555 M N 1.781 121.416 119.600 0.059 0.000 2.277 555 M HA 0.441 4.921 4.480 -0.000 0.000 0.350 555 M C -0.590 175.708 176.300 -0.004 0.000 1.180 555 M CA 0.157 55.469 55.300 0.021 0.000 1.103 555 M CB 1.570 34.156 32.600 -0.023 0.000 1.577 555 M HN 0.961 nan 8.290 nan 0.000 0.459 556 G N 2.331 111.140 108.800 0.016 0.000 2.600 556 G HA2 0.425 4.385 3.960 -0.000 0.000 0.293 556 G HA3 0.425 4.385 3.960 -0.000 0.000 0.293 556 G C -0.895 173.997 174.900 -0.014 0.000 1.408 556 G CA -0.669 44.394 45.100 -0.061 0.000 0.782 556 G HN 0.678 nan 8.290 nan 0.000 0.482 557 F N -0.135 119.915 119.950 0.166 0.000 2.234 557 F HA 0.253 4.780 4.527 0.000 0.000 0.296 557 F C 1.081 177.007 175.800 0.210 0.000 1.089 557 F CA 1.052 59.154 58.000 0.169 0.000 1.343 557 F CB 0.415 39.472 39.000 0.095 0.000 1.040 557 F HN 0.374 nan 8.300 nan 0.000 0.498 558 D N -1.026 119.523 120.400 0.248 0.000 2.757 558 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 558 D C 0.686 176.804 176.300 -0.304 0.000 1.168 558 D CA -0.250 53.739 54.000 -0.019 0.000 0.870 558 D CB 1.303 42.117 40.800 0.025 0.000 1.411 558 D HN 0.071 nan 8.370 nan 0.000 0.525 559 E N 3.094 122.778 120.200 -0.861 0.000 2.070 559 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 559 E C 1.290 177.704 176.600 -0.311 0.000 1.004 559 E CA 1.239 57.109 56.400 -0.883 0.000 0.805 559 E CB 0.295 29.385 29.700 -1.016 0.000 0.744 559 E HN 0.423 nan 8.360 nan 0.000 0.451 560 K N 0.053 120.318 120.400 -0.225 0.000 2.044 560 K HA -0.088 4.231 4.320 -0.000 0.000 0.204 560 K C 2.036 178.601 176.600 -0.059 0.000 1.045 560 K CA 1.088 57.315 56.287 -0.101 0.000 0.951 560 K CB 0.080 32.535 32.500 -0.075 0.000 0.738 560 K HN 0.080 nan 8.250 nan 0.000 0.443 561 E N 0.406 120.576 120.200 -0.050 0.000 2.153 561 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 561 E C 0.733 177.329 176.600 -0.007 0.000 0.988 561 E CA 0.999 57.392 56.400 -0.011 0.000 0.811 561 E CB 0.124 29.831 29.700 0.011 0.000 0.746 561 E HN 0.366 nan 8.360 nan 0.000 0.466 562 D N -0.004 120.383 120.400 -0.022 0.000 2.398 562 D HA 0.054 4.694 4.640 -0.000 0.000 0.210 562 D C -0.593 175.642 176.300 -0.108 0.000 1.094 562 D CA -0.031 53.953 54.000 -0.027 0.000 0.839 562 D CB 0.113 40.935 40.800 0.036 0.000 0.963 562 D HN 0.079 nan 8.370 nan 0.000 0.506 563 N N 0.636 119.270 118.700 -0.110 0.000 2.667 563 N HA -0.186 4.554 4.740 -0.000 0.000 0.263 563 N C -0.325 175.104 175.510 -0.135 0.000 1.038 563 N CA 0.546 53.511 53.050 -0.142 0.000 0.749 563 N CB -1.424 36.864 38.487 -0.331 0.000 0.892 563 N HN 0.398 nan 8.380 nan 0.000 0.546 564 C N -3.326 115.966 119.300 -0.012 0.000 3.323 564 C HA 0.780 5.240 4.460 -0.000 0.000 0.324 564 C C 1.233 176.381 174.990 0.264 0.000 1.428 564 C CA -0.648 58.433 59.018 0.105 0.000 1.368 564 C CB 1.568 29.391 27.740 0.138 0.000 1.731 564 C HN 0.491 nan 8.230 nan 0.000 0.455 565 C N 0.289 119.788 119.300 0.332 0.000 3.294 565 C HA 0.496 4.956 4.460 -0.000 0.000 0.441 565 C C 0.623 175.746 174.990 0.222 0.000 1.364 565 C CA 0.610 59.827 59.018 0.331 0.000 2.059 565 C CB -0.293 27.560 27.740 0.188 0.000 2.925 565 C HN 0.971 nan 8.230 nan 0.000 0.633 566 V N 1.339 121.280 119.914 0.044 0.000 2.914 566 V HA 0.707 4.827 4.120 -0.000 0.000 0.314 566 V C -0.708 175.074 176.094 -0.520 0.000 1.084 566 V CA -0.637 61.454 62.300 -0.348 0.000 0.963 566 V CB 1.509 33.230 31.823 -0.170 0.000 1.025 566 V HN 0.402 nan 8.190 nan 0.000 0.432 567 N N 0.914 119.108 118.700 -0.844 0.000 2.431 567 N HA 0.257 4.997 4.740 -0.000 0.000 0.289 567 N C 1.028 176.390 175.510 -0.245 0.000 1.277 567 N CA 0.222 52.995 53.050 -0.461 0.000 0.972 567 N CB -0.006 38.206 38.487 -0.457 0.000 1.143 567 N HN 0.927 nan 8.380 nan 0.000 0.578 568 T N -4.797 109.655 114.554 -0.170 0.000 3.160 568 T HA 0.038 4.388 4.350 -0.000 0.000 0.257 568 T C 0.048 174.664 174.700 -0.140 0.000 1.147 568 T CA 0.511 62.512 62.100 -0.164 0.000 1.064 568 T CB -0.388 68.398 68.868 -0.136 0.000 0.949 568 T HN 0.426 nan 8.240 nan 0.000 0.526 569 D N 1.138 121.448 120.400 -0.150 0.000 2.342 569 D HA 0.193 4.833 4.640 -0.000 0.000 0.221 569 D C 0.547 176.845 176.300 -0.005 0.000 1.101 569 D CA 0.087 54.017 54.000 -0.116 0.000 0.837 569 D CB 0.116 40.733 40.800 -0.305 0.000 0.938 569 D HN 0.341 nan 8.370 nan 0.000 0.508 570 S N 0.184 115.854 115.700 -0.050 0.000 3.476 570 S HA -0.265 4.205 4.470 -0.000 0.000 0.309 570 S C 0.570 175.185 174.600 0.025 0.000 1.222 570 S CA 0.532 58.745 58.200 0.022 0.000 0.922 570 S CB -1.364 61.912 63.200 0.127 0.000 1.023 570 S HN 0.482 nan 8.310 nan 0.000 0.591 571 R N 1.045 121.449 120.500 -0.160 0.000 2.368 571 R HA 0.504 4.844 4.340 -0.000 0.000 0.302 571 R C -0.139 175.883 176.300 -0.463 0.000 1.002 571 R CA -0.486 55.359 56.100 -0.425 0.000 0.929 571 R CB 0.773 30.785 30.300 -0.480 0.000 1.073 571 R HN 0.121 nan 8.270 nan 0.000 0.464 572 V N 6.148 125.819 119.914 -0.405 0.000 2.485 572 V HA 0.020 4.140 4.120 -0.000 0.000 0.287 572 V C 0.121 176.173 176.094 -0.070 0.000 1.022 572 V CA 0.182 62.332 62.300 -0.250 0.000 1.067 572 V CB -0.160 31.500 31.823 -0.272 0.000 0.967 572 V HN 0.583 nan 8.190 nan 0.000 0.479 573 F N 4.259 124.257 119.950 0.081 0.000 2.604 573 F HA 0.353 4.880 4.527 -0.000 0.000 0.393 573 F C 1.574 177.498 175.800 0.205 0.000 1.043 573 F CA 1.724 59.789 58.000 0.109 0.000 1.227 573 F CB -0.099 38.957 39.000 0.093 0.000 1.016 573 F HN 0.792 nan 8.300 nan 0.000 0.556 574 G N 2.290 111.249 108.800 0.266 0.000 2.284 574 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.230 574 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.230 574 G C -0.057 174.764 174.900 -0.132 0.000 1.021 574 G CA -0.502 44.639 45.100 0.069 0.000 0.619 574 G HN 0.435 nan 8.290 nan 0.000 0.510 575 F N 1.460 121.427 119.950 0.029 0.000 2.420 575 F HA 0.604 5.131 4.527 0.000 0.000 0.342 575 F C 1.465 177.247 175.800 -0.030 0.000 1.113 575 F CA -0.549 57.452 58.000 0.002 0.000 1.059 575 F CB 1.734 40.728 39.000 -0.009 0.000 1.128 575 F HN -0.088 nan 8.300 nan 0.000 0.475 576 K N 1.248 121.745 120.400 0.162 0.000 2.167 576 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 576 K C 0.732 177.529 176.600 0.328 0.000 1.052 576 K CA 1.145 57.568 56.287 0.225 0.000 0.956 576 K CB 0.030 32.672 32.500 0.238 0.000 0.735 576 K HN 0.571 nan 8.250 nan 0.000 0.451 577 N N 0.182 119.022 118.700 0.233 0.000 2.377 577 N HA 0.046 4.786 4.740 -0.000 0.000 0.259 577 N C -0.939 174.602 175.510 0.051 0.000 1.332 577 N CA -0.317 52.877 53.050 0.240 0.000 0.877 577 N CB 0.178 38.865 38.487 0.333 0.000 1.299 577 N HN -0.044 nan 8.380 nan 0.000 0.501 578 L N 0.696 121.742 121.223 -0.295 0.000 2.349 578 L HA 0.702 5.042 4.340 -0.000 0.000 0.278 578 L C -1.791 174.650 176.870 -0.714 0.000 0.996 578 L CA -0.598 54.057 54.840 -0.309 0.000 0.825 578 L CB 0.825 42.718 42.059 -0.276 0.000 1.243 578 L HN -0.022 nan 8.230 nan 0.000 0.412 579 F N 4.939 124.815 119.950 -0.125 0.000 2.563 579 F HA 0.673 5.200 4.527 -0.000 0.000 0.316 579 F C -0.590 175.066 175.800 -0.241 0.000 1.076 579 F CA -0.697 57.211 58.000 -0.152 0.000 0.921 579 F CB 1.826 40.770 39.000 -0.093 0.000 1.209 579 F HN 0.194 nan 8.300 nan 0.000 0.462 580 L N 1.842 123.028 121.223 -0.061 0.000 2.346 580 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 580 L C 0.053 176.926 176.870 0.005 0.000 1.007 580 L CA -0.834 53.898 54.840 -0.180 0.000 0.818 580 L CB 1.921 43.722 42.059 -0.430 0.000 1.284 580 L HN 0.780 nan 8.230 nan 0.000 0.424 581 G N 0.181 108.995 108.800 0.024 0.000 2.519 581 G HA2 0.803 4.763 3.960 -0.000 0.000 0.307 581 G HA3 0.803 4.763 3.960 -0.000 0.000 0.307 581 G C -0.520 174.499 174.900 0.199 0.000 1.266 581 G CA -0.330 44.891 45.100 0.201 0.000 0.970 581 G HN 0.976 nan 8.290 nan 0.000 0.481 582 G N -1.339 107.575 108.800 0.190 0.000 2.354 582 G HA2 0.066 4.026 3.960 -0.000 0.000 0.582 582 G HA3 0.066 4.026 3.960 -0.000 0.000 0.582 582 G C 0.782 175.741 174.900 0.097 0.000 1.316 582 G CA 0.047 45.237 45.100 0.150 0.000 0.995 582 G HN 1.169 nan 8.290 nan 0.000 0.573 583 C N 0.598 119.933 119.300 0.057 0.000 2.410 583 C HA 0.152 4.611 4.460 -0.000 0.000 0.281 583 C C 3.110 178.084 174.990 -0.027 0.000 1.318 583 C CA 1.933 60.964 59.018 0.022 0.000 1.776 583 C CB -1.399 26.388 27.740 0.078 0.000 1.942 583 C HN 1.337 nan 8.230 nan 0.000 0.508 584 G N 1.227 109.927 108.800 -0.167 0.000 2.485 584 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.221 584 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.221 584 G C 1.416 175.986 174.900 -0.550 0.000 1.115 584 G CA 0.977 45.683 45.100 -0.655 0.000 0.751 584 G HN 0.568 nan 8.290 nan 0.000 0.567 585 N N 0.288 118.872 118.700 -0.193 0.000 2.396 585 N HA 0.023 4.762 4.740 -0.000 0.000 0.180 585 N C 0.916 176.439 175.510 0.022 0.000 1.028 585 N CA 0.189 53.252 53.050 0.022 0.000 0.893 585 N CB 0.031 38.579 38.487 0.103 0.000 0.967 585 N HN 0.313 nan 8.380 nan 0.000 0.440 586 I N 2.963 123.545 120.570 0.019 0.000 2.452 586 I HA 0.049 4.219 4.170 -0.000 0.000 0.287 586 I C -1.367 174.837 176.117 0.146 0.000 1.079 586 I CA -1.063 60.272 61.300 0.058 0.000 1.387 586 I CB 1.330 39.301 38.000 -0.049 0.000 1.404 586 I HN -0.078 nan 8.210 nan 0.000 0.522 587 P HA 0.064 nan 4.420 nan 0.000 0.267 587 P C 0.249 177.639 177.300 0.150 0.000 1.289 587 P CA 0.205 63.374 63.100 0.116 0.000 0.866 587 P CB 0.225 31.955 31.700 0.050 0.000 1.309 588 T N -2.357 112.324 114.554 0.212 0.000 2.897 588 T HA 0.696 5.046 4.350 -0.000 0.000 0.278 588 T C 0.123 174.966 174.700 0.238 0.000 0.981 588 T CA -0.886 61.329 62.100 0.191 0.000 0.973 588 T CB 1.273 70.234 68.868 0.155 0.000 1.092 588 T HN 0.048 nan 8.240 nan 0.000 0.543 589 A N 1.775 124.669 122.820 0.123 0.000 2.302 589 A HA 0.621 4.941 4.320 -0.000 0.000 0.295 589 A C -0.691 176.880 177.584 -0.022 0.000 1.235 589 A CA -0.846 51.217 52.037 0.042 0.000 0.876 589 A CB -0.821 18.223 19.000 0.073 0.000 1.133 589 A HN 0.889 nan 8.150 nan 0.000 0.533 590 Y N -0.411 119.816 120.300 -0.121 0.000 2.512 590 Y HA 0.716 5.266 4.550 0.000 0.000 0.348 590 Y C 0.695 176.485 175.900 -0.185 0.000 0.990 590 Y CA -0.699 57.142 58.100 -0.432 0.000 1.033 590 Y CB 1.411 39.420 38.460 -0.752 0.000 1.259 590 Y HN 0.400 nan 8.280 nan 0.000 0.461 591 G N 0.515 109.249 108.800 -0.111 0.000 2.743 591 G HA2 0.402 4.362 3.960 -0.000 0.000 0.206 591 G HA3 0.402 4.362 3.960 -0.000 0.000 0.206 591 G C 0.450 175.452 174.900 0.171 0.000 1.115 591 G CA 0.178 45.403 45.100 0.208 0.000 0.782 591 G HN 0.957 nan 8.290 nan 0.000 0.524 592 A N 0.782 123.516 122.820 -0.142 0.000 2.386 592 A HA 0.472 4.792 4.320 -0.000 0.000 0.246 592 A C -0.080 177.407 177.584 -0.161 0.000 1.089 592 A CA -0.429 51.400 52.037 -0.347 0.000 0.790 592 A CB 0.052 18.860 19.000 -0.320 0.000 1.042 592 A HN 0.350 nan 8.150 nan 0.000 0.497 593 N N 1.707 120.180 118.700 -0.379 0.000 2.475 593 N HA 0.278 5.018 4.740 -0.000 0.000 0.267 593 N C -2.054 173.356 175.510 -0.165 0.000 1.169 593 N CA -1.147 51.652 53.050 -0.419 0.000 0.947 593 N CB 0.492 38.810 38.487 -0.281 0.000 1.061 593 N HN 0.398 nan 8.380 nan 0.000 0.466 594 P HA -0.014 nan 4.420 nan 0.000 0.240 594 P C 0.469 177.681 177.300 -0.147 0.000 1.190 594 P CA 0.698 63.708 63.100 -0.150 0.000 0.781 594 P CB 0.315 31.917 31.700 -0.163 0.000 0.931 595 T N 0.972 115.509 114.554 -0.028 0.000 2.746 595 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 595 T C 1.790 176.578 174.700 0.147 0.000 1.039 595 T CA 0.910 63.049 62.100 0.066 0.000 1.142 595 T CB -0.852 68.081 68.868 0.109 0.000 0.866 595 T HN 0.007 nan 8.240 nan 0.000 0.444 596 L N 1.167 122.494 121.223 0.174 0.000 2.042 596 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 596 L C 2.517 179.473 176.870 0.143 0.000 1.076 596 L CA 1.785 56.776 54.840 0.253 0.000 0.749 596 L CB -1.067 41.116 42.059 0.207 0.000 0.893 596 L HN 0.209 nan 8.230 nan 0.000 0.432 597 T N -0.521 113.993 114.554 -0.066 0.000 2.777 597 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 597 T C 1.899 176.518 174.700 -0.135 0.000 1.040 597 T CA 1.235 63.199 62.100 -0.228 0.000 1.141 597 T CB -0.488 67.834 68.868 -0.909 0.000 0.868 597 T HN 0.520 nan 8.240 nan 0.000 0.444 598 A N 1.556 124.305 122.820 -0.119 0.000 1.902 598 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 598 A C 2.314 179.871 177.584 -0.045 0.000 1.181 598 A CA 1.783 53.786 52.037 -0.056 0.000 0.623 598 A CB -0.731 18.256 19.000 -0.021 0.000 0.818 598 A HN 0.521 nan 8.150 nan 0.000 0.443 599 M N -0.302 119.284 119.600 -0.024 0.000 2.159 599 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 599 M C 2.075 178.295 176.300 -0.134 0.000 1.063 599 M CA 2.048 57.306 55.300 -0.070 0.000 1.110 599 M CB -0.157 32.410 32.600 -0.055 0.000 1.374 599 M HN 0.374 nan 8.290 nan 0.000 0.411 600 S N 1.139 116.762 115.700 -0.129 0.000 2.368 600 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 600 S C 1.748 176.159 174.600 -0.315 0.000 1.030 600 S CA 1.319 59.374 58.200 -0.240 0.000 0.999 600 S CB -0.463 62.553 63.200 -0.307 0.000 0.844 600 S HN 0.515 nan 8.310 nan 0.000 0.459 601 L N 1.067 122.141 121.223 -0.248 0.000 2.093 601 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 601 L C 2.797 179.533 176.870 -0.224 0.000 1.085 601 L CA 1.119 55.812 54.840 -0.245 0.000 0.755 601 L CB -0.730 41.255 42.059 -0.122 0.000 0.904 601 L HN 0.318 nan 8.230 nan 0.000 0.435 602 A N 0.497 123.183 122.820 -0.223 0.000 1.908 602 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 602 A C 2.217 179.484 177.584 -0.528 0.000 1.181 602 A CA 1.560 53.352 52.037 -0.409 0.000 0.627 602 A CB -0.678 18.081 19.000 -0.402 0.000 0.818 602 A HN 0.353 nan 8.150 nan 0.000 0.445 603 I N -0.475 119.875 120.570 -0.367 0.000 2.163 603 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 603 I C 2.558 178.508 176.117 -0.280 0.000 1.085 603 I CA 2.016 63.132 61.300 -0.308 0.000 1.347 603 I CB -0.250 37.587 38.000 -0.270 0.000 1.044 603 I HN 0.401 nan 8.210 nan 0.000 0.408 604 K N 0.475 120.709 120.400 -0.278 0.000 2.097 604 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 604 K C 2.355 178.863 176.600 -0.153 0.000 1.049 604 K CA 1.714 57.867 56.287 -0.223 0.000 0.933 604 K CB -0.102 32.228 32.500 -0.282 0.000 0.717 604 K HN 0.131 nan 8.250 nan 0.000 0.442 605 S N 0.056 115.649 115.700 -0.179 0.000 2.368 605 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 605 S C 2.063 176.558 174.600 -0.175 0.000 1.030 605 S CA 1.461 59.596 58.200 -0.108 0.000 0.999 605 S CB -0.504 62.672 63.200 -0.039 0.000 0.844 605 S HN 0.575 nan 8.310 nan 0.000 0.459 606 C N 1.582 120.693 119.300 -0.315 0.000 2.413 606 C HA -0.031 4.429 4.460 -0.000 0.000 0.277 606 C C 2.510 177.408 174.990 -0.155 0.000 1.265 606 C CA 0.857 59.707 59.018 -0.280 0.000 1.752 606 C CB -1.519 26.019 27.740 -0.338 0.000 1.998 606 C HN 0.686 nan 8.230 nan 0.000 0.489 607 E N -0.544 119.588 120.200 -0.114 0.000 2.058 607 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 607 E C 1.871 178.467 176.600 -0.006 0.000 0.997 607 E CA 1.693 58.060 56.400 -0.054 0.000 0.801 607 E CB -0.384 29.280 29.700 -0.059 0.000 0.746 607 E HN 0.831 nan 8.360 nan 0.000 0.450 608 Y N 1.334 121.592 120.300 -0.069 0.000 2.165 608 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 608 Y C 2.000 177.926 175.900 0.043 0.000 1.155 608 Y CA 1.516 59.618 58.100 0.004 0.000 1.164 608 Y CB -0.105 38.389 38.460 0.056 0.000 0.978 608 Y HN -0.042 nan 8.280 nan 0.000 0.513 609 I N 0.230 120.797 120.570 -0.006 0.000 2.179 609 I HA -0.337 3.833 4.170 -0.000 0.000 0.242 609 I C 2.253 178.408 176.117 0.064 0.000 1.088 609 I CA 1.729 63.032 61.300 0.004 0.000 1.357 609 I CB -0.401 37.410 38.000 -0.315 0.000 1.051 609 I HN 0.152 nan 8.210 nan 0.000 0.409 610 K N 0.369 120.773 120.400 0.007 0.000 2.209 610 K HA -0.201 4.119 4.320 -0.000 0.000 0.204 610 K C 2.017 178.646 176.600 0.049 0.000 1.048 610 K CA 1.173 57.532 56.287 0.119 0.000 0.940 610 K CB -0.105 32.444 32.500 0.082 0.000 0.729 610 K HN 0.422 nan 8.250 nan 0.000 0.451 611 Q N -0.226 119.530 119.800 -0.073 0.000 2.389 611 Q HA 0.039 4.378 4.340 -0.000 0.000 0.204 611 Q C 0.988 176.860 176.000 -0.213 0.000 0.944 611 Q CA 0.625 56.346 55.803 -0.137 0.000 0.908 611 Q CB 0.385 29.012 28.738 -0.185 0.000 1.002 611 Q HN 0.264 nan 8.270 nan 0.000 0.493 612 N N -1.275 117.268 118.700 -0.261 0.000 2.113 612 N HA 0.153 4.893 4.740 -0.000 0.000 0.223 612 N C -1.002 174.133 175.510 -0.625 0.000 1.310 612 N CA 0.232 52.996 53.050 -0.476 0.000 0.896 612 N CB 1.110 39.139 38.487 -0.764 0.000 1.097 612 N HN -0.004 nan 8.380 nan 0.000 0.507 613 F N 0.510 120.480 119.950 0.033 0.000 2.569 613 F HA 0.356 4.883 4.527 0.000 0.000 0.312 613 F C 0.071 175.982 175.800 0.184 0.000 1.109 613 F CA -0.627 57.452 58.000 0.131 0.000 0.919 613 F CB 1.944 41.050 39.000 0.177 0.000 1.211 613 F HN -0.386 nan 8.300 nan 0.000 0.446 614 T N 3.911 118.621 114.554 0.259 0.000 2.795 614 T HA 0.435 4.785 4.350 -0.000 0.000 0.282 614 T C -2.518 172.179 174.700 -0.005 0.000 0.980 614 T CA -1.425 60.719 62.100 0.075 0.000 1.012 614 T CB 1.232 70.116 68.868 0.027 0.000 0.936 614 T HN 0.135 nan 8.240 nan 0.000 0.457 615 P HA 0.145 nan 4.420 nan 0.000 0.268 615 P C -0.099 177.134 177.300 -0.112 0.000 1.208 615 P CA -0.474 62.385 63.100 -0.400 0.000 0.777 615 P CB 0.285 31.599 31.700 -0.644 0.000 0.875 616 S N 1.853 117.533 115.700 -0.033 0.000 2.585 616 S HA 0.357 4.827 4.470 -0.000 0.000 0.273 616 S C -2.244 172.358 174.600 0.003 0.000 1.339 616 S CA -1.057 57.141 58.200 -0.002 0.000 1.028 616 S CB -0.905 62.300 63.200 0.008 0.000 0.906 616 S HN 0.275 nan 8.310 nan 0.000 0.528 617 P HA 0.186 nan 4.420 nan 0.000 0.265 617 P C -0.305 177.041 177.300 0.077 0.000 1.193 617 P CA -0.381 62.747 63.100 0.047 0.000 0.765 617 P CB 0.138 31.856 31.700 0.030 0.000 0.823 618 F N 0.000 119.935 119.950 -0.025 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 618 F CB 0.000 38.992 39.000 -0.013 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574