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 1sj2_1_B DATA FIRST_RESID 24 DATA SEQUENCE GHMKYPVEGG GNQDWWPNRL NLKVLHQNPA VADPMGAAFD YAAEVATIDV DATA SEQUENCE DALTRDIEEV MTTSQPWWPA DYGHYGPLFI RMAWHAAGTY RIHDGRGGAG DATA SEQUENCE GGMQRFAPLN SWPDNASLDK ARRLLWPVKK KYGKKLSWAD LIVFAGNCAL DATA SEQUENCE ESMGFKTFGF GFGRVDQWEP DEVYWGKEAT WLGDERYSGK RDLENPLAAV DATA SEQUENCE QMGLIYVNPE GPNGNPDPMA AAVDIRETFR RMAMNDVETA ALIVGGHTFG DATA SEQUENCE KTHGAGPADL VGPEPEAAPL EQMGLGWKSS YGTGTGKDAI TSGIEVVWTN DATA SEQUENCE TPTKWDNSFL EILYGYEWEL TKSPAGAWQY TAKDGAGAGT IPDPFGGPGR DATA SEQUENCE SPTMLATDLS LRVDPIYERI TRRWLEHPEE LADEFAKAWY KLIHRDMGPV DATA SEQUENCE ARYLGPLVPK QTLLWQDPVP AVSHDLVGEA EIASLKSQIR ASGLTVSQLV DATA SEQUENCE STAWAAASSF RGSDKRGGAN GGRIRLQPQV GWEVNDPDGD LRKVIRTLEE DATA SEQUENCE IQESFNSAAP GNIKVSFADL VVLGGCAAIE KAAKAAGHNI TVPFTPGRTD DATA SEQUENCE ASQEQTDVES FAVLEPKADG FRNYLGKGNP LPAEYMLLDK ANLLTLSAPE DATA SEQUENCE MTVLVGGLRV LGANYKRLPL GVFTEASESL TNDFFVNLLD MGITWEPSPA DATA SEQUENCE DDGTYQGKDG SGKVKWTGSR VDLVFGSNSE LRALVEVYGA DDAQPKFVQD DATA SEQUENCE FVAAWDKVMN LDRFDVR 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 24 G C 0.000 174.648 174.900 -0.421 0.000 0.946 24 G CA 0.000 44.987 45.100 -0.188 0.000 0.502 25 H N 1.818 120.839 119.070 -0.082 0.000 1.801 25 H HA 0.157 4.712 4.556 -0.002 0.000 0.144 25 H C 0.878 176.126 175.328 -0.134 0.000 1.031 25 H CA 0.137 56.114 56.048 -0.117 0.000 0.932 25 H CB 0.110 29.771 29.762 -0.168 0.000 0.732 25 H HN 0.400 nan 8.280 nan 0.000 0.326 26 M N 2.685 122.267 119.600 -0.031 0.000 2.245 26 M HA 0.195 4.674 4.480 -0.002 0.000 0.344 26 M C 0.159 176.436 176.300 -0.039 0.000 1.170 26 M CA 0.710 55.957 55.300 -0.090 0.000 1.135 26 M CB 0.238 32.771 32.600 -0.111 0.000 1.574 26 M HN 0.073 nan 8.290 nan 0.000 0.452 27 K N 1.469 121.856 120.400 -0.021 0.000 2.295 27 K HA 0.466 4.785 4.320 -0.002 0.000 0.239 27 K C -1.103 175.528 176.600 0.052 0.000 0.991 27 K CA -0.772 55.538 56.287 0.038 0.000 0.845 27 K CB 1.281 33.815 32.500 0.058 0.000 1.197 27 K HN 0.318 nan 8.250 nan 0.000 0.441 28 Y N 1.338 121.646 120.300 0.013 0.000 2.497 28 Y HA -0.029 4.520 4.550 -0.002 0.000 0.334 28 Y C -1.497 174.417 175.900 0.023 0.000 1.199 28 Y CA -1.058 57.055 58.100 0.021 0.000 1.425 28 Y CB 0.352 38.821 38.460 0.015 0.000 1.291 28 Y HN 0.525 nan 8.280 nan 0.000 0.562 29 P HA -0.262 nan 4.420 nan 0.000 0.216 29 P C 1.733 179.097 177.300 0.108 0.000 1.153 29 P CA 1.528 64.700 63.100 0.119 0.000 0.858 29 P CB 0.126 31.890 31.700 0.107 0.000 0.789 30 V N -0.977 119.011 119.914 0.123 0.000 2.688 30 V HA -0.214 3.904 4.120 -0.002 0.000 0.256 30 V C 1.541 177.665 176.094 0.050 0.000 1.084 30 V CA 1.820 64.160 62.300 0.066 0.000 1.103 30 V CB -0.515 31.329 31.823 0.035 0.000 0.688 30 V HN 0.129 nan 8.190 nan 0.000 0.480 31 E N -1.440 118.807 120.200 0.078 0.000 3.834 31 E HA 0.380 4.729 4.350 -0.002 0.000 0.318 31 E C 1.562 178.196 176.600 0.057 0.000 0.680 31 E CA 0.260 56.693 56.400 0.056 0.000 1.860 31 E CB 0.463 30.202 29.700 0.065 0.000 2.061 31 E HN 0.233 nan 8.360 nan 0.000 0.447 32 G N -0.496 108.337 108.800 0.054 0.000 3.847 32 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.224 32 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.224 32 G C 0.697 175.621 174.900 0.041 0.000 0.934 32 G CA 1.394 46.517 45.100 0.038 0.000 0.728 32 G HN 0.658 nan 8.290 nan 0.000 1.367 33 G N -3.171 105.653 108.800 0.040 0.000 3.454 33 G HA2 0.622 4.581 3.960 -0.002 0.000 0.162 33 G HA3 0.622 4.581 3.960 -0.002 0.000 0.162 33 G C 0.197 175.134 174.900 0.062 0.000 1.223 33 G CA 0.911 46.041 45.100 0.049 0.000 1.394 33 G HN 1.755 nan 8.290 nan 0.000 0.709 34 G N -0.645 108.196 108.800 0.069 0.000 3.206 34 G HA2 0.275 4.234 3.960 -0.002 0.000 0.146 34 G HA3 0.275 4.234 3.960 -0.002 0.000 0.146 34 G C 0.292 175.292 174.900 0.166 0.000 1.214 34 G CA 0.805 45.974 45.100 0.115 0.000 1.297 34 G HN 0.324 nan 8.290 nan 0.000 0.659 35 N N 0.241 119.087 118.700 0.243 0.000 2.258 35 N HA -0.133 4.606 4.740 -0.002 0.000 0.187 35 N C 1.972 177.695 175.510 0.357 0.000 1.012 35 N CA 1.391 54.677 53.050 0.394 0.000 0.870 35 N CB -0.084 38.632 38.487 0.381 0.000 0.977 35 N HN 0.413 nan 8.380 nan 0.000 0.434 36 Q N 1.149 121.067 119.800 0.197 0.000 2.291 36 Q HA -0.093 4.245 4.340 -0.002 0.000 0.206 36 Q C 0.954 176.990 176.000 0.059 0.000 0.976 36 Q CA 1.140 57.031 55.803 0.146 0.000 0.875 36 Q CB 0.019 28.809 28.738 0.086 0.000 0.927 36 Q HN 0.299 nan 8.270 nan 0.000 0.450 37 D N -1.464 118.919 120.400 -0.028 0.000 2.144 37 D HA -0.152 4.487 4.640 -0.002 0.000 0.200 37 D C 1.071 177.101 176.300 -0.450 0.000 0.978 37 D CA 0.996 54.846 54.000 -0.251 0.000 0.833 37 D CB -0.263 40.328 40.800 -0.349 0.000 0.961 37 D HN 0.435 nan 8.370 nan 0.000 0.470 38 W N -0.414 120.654 121.300 -0.388 0.000 2.640 38 W HA 0.058 4.717 4.660 -0.001 0.000 0.268 38 W C 0.622 176.521 176.519 -1.033 0.000 1.263 38 W CA -0.144 56.651 57.345 -0.916 0.000 1.344 38 W CB 0.356 28.777 29.460 -1.733 0.000 1.093 38 W HN -0.098 nan 8.180 nan 0.000 0.603 39 W N 1.892 123.303 121.300 0.185 0.000 2.423 39 W HA 0.202 4.861 4.660 -0.002 0.000 0.286 39 W C -1.768 174.791 176.519 0.067 0.000 1.001 39 W CA -1.900 55.513 57.345 0.113 0.000 1.643 39 W CB 0.122 29.646 29.460 0.106 0.000 1.593 39 W HN -0.234 nan 8.180 nan 0.000 0.403 40 P HA -0.236 nan 4.420 nan 0.000 0.216 40 P C 0.725 178.091 177.300 0.110 0.000 1.154 40 P CA 1.819 64.967 63.100 0.079 0.000 0.865 40 P CB 0.421 32.131 31.700 0.016 0.000 0.789 41 N N -0.624 118.161 118.700 0.141 0.000 2.276 41 N HA 0.039 4.778 4.740 -0.002 0.000 0.212 41 N C 0.766 176.420 175.510 0.240 0.000 1.127 41 N CA -0.174 52.971 53.050 0.158 0.000 0.834 41 N CB -0.248 38.310 38.487 0.119 0.000 1.014 41 N HN 0.225 nan 8.380 nan 0.000 0.491 42 R N 1.295 121.917 120.500 0.203 0.000 2.537 42 R HA -0.044 4.295 4.340 -0.002 0.000 0.281 42 R C 0.017 176.366 176.300 0.082 0.000 0.988 42 R CA -0.344 55.844 56.100 0.146 0.000 1.077 42 R CB 0.277 30.686 30.300 0.182 0.000 0.932 42 R HN 0.013 nan 8.270 nan 0.000 0.409 43 L N 5.061 126.239 121.223 -0.074 0.000 2.565 43 L HA 0.024 4.363 4.340 -0.002 0.000 0.275 43 L C -0.460 176.337 176.870 -0.121 0.000 1.137 43 L CA 0.488 55.186 54.840 -0.236 0.000 0.915 43 L CB -0.123 41.672 42.059 -0.439 0.000 1.232 43 L HN 0.578 nan 8.230 nan 0.000 0.473 44 N N 4.370 123.037 118.700 -0.055 0.000 2.402 44 N HA 0.110 4.849 4.740 -0.002 0.000 0.252 44 N C 0.705 176.150 175.510 -0.108 0.000 1.118 44 N CA -0.040 52.981 53.050 -0.050 0.000 0.945 44 N CB 0.505 38.988 38.487 -0.006 0.000 1.147 44 N HN 0.727 nan 8.380 nan 0.000 0.495 45 L N 2.741 123.879 121.223 -0.143 0.000 2.478 45 L HA -0.002 4.337 4.340 -0.002 0.000 0.223 45 L C 1.616 178.209 176.870 -0.462 0.000 1.140 45 L CA 0.568 55.280 54.840 -0.214 0.000 0.842 45 L CB -0.177 41.800 42.059 -0.137 0.000 0.953 45 L HN 0.552 nan 8.230 nan 0.000 0.452 46 K N -0.090 120.052 120.400 -0.430 0.000 2.520 46 K HA -0.093 4.226 4.320 -0.002 0.000 0.197 46 K C 1.842 178.260 176.600 -0.303 0.000 1.043 46 K CA 0.504 56.473 56.287 -0.531 0.000 0.944 46 K CB -0.072 32.340 32.500 -0.147 0.000 0.770 46 K HN 0.126 nan 8.250 nan 0.000 0.480 47 V N 1.113 120.907 119.914 -0.200 0.000 2.913 47 V HA -0.141 3.978 4.120 -0.002 0.000 0.260 47 V C 1.430 177.496 176.094 -0.046 0.000 1.098 47 V CA 1.306 63.558 62.300 -0.080 0.000 1.121 47 V CB -0.318 31.478 31.823 -0.045 0.000 0.714 47 V HN 0.337 nan 8.190 nan 0.000 0.487 48 L N -0.800 120.361 121.223 -0.103 0.000 2.741 48 L HA 0.266 4.605 4.340 -0.002 0.000 0.237 48 L C 0.937 177.957 176.870 0.249 0.000 1.178 48 L CA 0.268 55.145 54.840 0.061 0.000 0.973 48 L CB -0.315 41.805 42.059 0.101 0.000 1.255 48 L HN 0.466 nan 8.230 nan 0.000 0.498 49 H N -1.706 117.397 119.070 0.054 0.000 2.649 49 H HA 0.226 4.781 4.556 -0.002 0.000 0.258 49 H C 0.096 175.456 175.328 0.052 0.000 1.165 49 H CA -0.504 55.576 56.048 0.052 0.000 1.006 49 H CB 0.749 30.537 29.762 0.044 0.000 1.743 49 H HN 0.308 nan 8.280 nan 0.000 0.609 50 Q N 1.837 121.728 119.800 0.151 0.000 2.349 50 Q HA -0.060 4.279 4.340 -0.002 0.000 0.287 50 Q C 0.307 176.374 176.000 0.112 0.000 1.044 50 Q CA -0.016 55.851 55.803 0.107 0.000 0.918 50 Q CB 0.458 29.244 28.738 0.079 0.000 1.242 50 Q HN 0.356 nan 8.270 nan 0.000 0.405 51 N N 2.002 120.762 118.700 0.100 0.000 2.667 51 N HA -0.116 4.623 4.740 -0.002 0.000 0.263 51 N C -2.421 173.165 175.510 0.127 0.000 1.038 51 N CA 0.070 53.192 53.050 0.119 0.000 0.749 51 N CB -0.336 38.229 38.487 0.130 0.000 0.892 51 N HN 0.421 nan 8.380 nan 0.000 0.546 52 P HA 0.053 nan 4.420 nan 0.000 0.264 52 P C 0.793 178.141 177.300 0.080 0.000 1.193 52 P CA 0.219 63.371 63.100 0.086 0.000 0.763 52 P CB 0.669 32.410 31.700 0.068 0.000 0.810 53 A N 4.265 127.126 122.820 0.068 0.000 1.917 53 A HA -0.188 4.131 4.320 -0.002 0.000 0.219 53 A C 2.161 179.758 177.584 0.022 0.000 1.182 53 A CA 2.023 54.094 52.037 0.058 0.000 0.633 53 A CB -1.492 17.537 19.000 0.049 0.000 0.819 53 A HN 0.454 nan 8.150 nan 0.000 0.448 54 V N -0.625 119.296 119.914 0.012 0.000 2.720 54 V HA -0.049 4.070 4.120 -0.002 0.000 0.256 54 V C 2.281 178.360 176.094 -0.026 0.000 1.082 54 V CA 1.956 64.250 62.300 -0.010 0.000 1.101 54 V CB -0.442 31.376 31.823 -0.007 0.000 0.693 54 V HN 0.600 nan 8.190 nan 0.000 0.479 55 A N -0.952 121.865 122.820 -0.005 0.000 2.307 55 A HA 0.159 4.478 4.320 -0.002 0.000 0.218 55 A C 0.893 178.435 177.584 -0.071 0.000 1.228 55 A CA 0.199 52.229 52.037 -0.011 0.000 0.857 55 A CB -0.187 18.839 19.000 0.044 0.000 0.897 55 A HN 0.546 nan 8.150 nan 0.000 0.495 56 D N 0.790 121.118 120.400 -0.121 0.000 2.317 56 D HA 0.251 4.890 4.640 -0.002 0.000 0.234 56 D C -1.665 174.377 176.300 -0.431 0.000 1.112 56 D CA -1.522 52.282 54.000 -0.326 0.000 0.840 56 D CB 1.679 42.439 40.800 -0.066 0.000 1.078 56 D HN 0.106 nan 8.370 nan 0.000 0.486 57 P HA -0.015 nan 4.420 nan 0.000 0.236 57 P C 1.270 178.312 177.300 -0.429 0.000 1.177 57 P CA 0.135 62.913 63.100 -0.537 0.000 0.773 57 P CB 0.372 31.684 31.700 -0.647 0.000 0.878 58 M N -0.465 118.856 119.600 -0.466 0.000 2.319 58 M HA 0.195 4.674 4.480 -0.002 0.000 0.265 58 M C 1.223 177.436 176.300 -0.145 0.000 1.068 58 M CA 0.830 55.892 55.300 -0.397 0.000 1.118 58 M CB -1.642 30.590 32.600 -0.613 0.000 1.395 58 M HN 0.069 nan 8.290 nan 0.000 0.435 59 G N -0.738 108.021 108.800 -0.069 0.000 2.675 59 G HA2 0.080 4.039 3.960 -0.002 0.000 0.686 59 G HA3 0.080 4.039 3.960 -0.002 0.000 0.686 59 G C 0.457 175.417 174.900 0.099 0.000 1.215 59 G CA -0.215 44.895 45.100 0.018 0.000 0.777 59 G HN 0.420 nan 8.290 nan 0.000 0.638 60 A N 0.334 123.202 122.820 0.080 0.000 2.015 60 A HA 0.438 4.757 4.320 -0.002 0.000 0.219 60 A C 2.622 180.276 177.584 0.116 0.000 1.163 60 A CA 2.455 54.549 52.037 0.095 0.000 0.646 60 A CB -0.369 18.668 19.000 0.060 0.000 0.806 60 A HN 2.438 nan 8.150 nan 0.000 0.448 61 A N -1.507 121.384 122.820 0.118 0.000 2.251 61 A HA 0.361 4.680 4.320 -0.002 0.000 0.209 61 A C 0.498 178.174 177.584 0.152 0.000 1.187 61 A CA -0.403 51.698 52.037 0.107 0.000 0.823 61 A CB -0.548 18.501 19.000 0.081 0.000 0.846 61 A HN 0.427 nan 8.150 nan 0.000 0.486 62 F N 1.385 121.370 119.950 0.059 0.000 2.543 62 F HA 0.355 4.881 4.527 -0.002 0.000 0.375 62 F C -0.139 175.727 175.800 0.109 0.000 1.075 62 F CA -0.935 57.116 58.000 0.085 0.000 1.225 62 F CB 0.520 39.581 39.000 0.101 0.000 1.099 62 F HN 0.117 nan 8.300 nan 0.000 0.561 63 D N 5.736 125.751 120.400 -0.642 0.000 2.446 63 D HA 0.049 4.688 4.640 -0.002 0.000 0.251 63 D C 0.501 176.400 176.300 -0.668 0.000 1.137 63 D CA -0.392 53.329 54.000 -0.465 0.000 0.890 63 D CB 0.094 40.764 40.800 -0.217 0.000 1.071 63 D HN 0.556 nan 8.370 nan 0.000 0.528 64 Y N 4.040 123.901 120.300 -0.732 0.000 2.165 64 Y HA -0.195 4.354 4.550 -0.002 0.000 0.286 64 Y C 1.962 177.749 175.900 -0.189 0.000 1.155 64 Y CA 2.232 60.087 58.100 -0.408 0.000 1.164 64 Y CB -0.344 38.099 38.460 -0.029 0.000 0.978 64 Y HN 0.461 nan 8.280 nan 0.000 0.513 65 A N 0.478 123.159 122.820 -0.231 0.000 1.892 65 A HA -0.200 4.119 4.320 -0.002 0.000 0.218 65 A C 2.496 179.927 177.584 -0.256 0.000 1.188 65 A CA 2.410 54.301 52.037 -0.243 0.000 0.631 65 A CB -1.586 17.358 19.000 -0.094 0.000 0.822 65 A HN 0.609 nan 8.150 nan 0.000 0.447 66 A N -0.806 121.886 122.820 -0.214 0.000 1.972 66 A HA -0.138 4.181 4.320 -0.002 0.000 0.219 66 A C 1.941 179.415 177.584 -0.183 0.000 1.169 66 A CA 1.735 53.669 52.037 -0.170 0.000 0.635 66 A CB -0.332 18.584 19.000 -0.139 0.000 0.810 66 A HN 0.513 nan 8.150 nan 0.000 0.446 67 E N -0.156 119.901 120.200 -0.238 0.000 2.076 67 E HA -0.067 4.282 4.350 -0.002 0.000 0.190 67 E C 2.195 178.654 176.600 -0.235 0.000 0.979 67 E CA 1.372 57.671 56.400 -0.169 0.000 0.807 67 E CB -0.629 29.043 29.700 -0.046 0.000 0.761 67 E HN 0.442 nan 8.360 nan 0.000 0.454 68 V N 1.608 121.255 119.914 -0.444 0.000 2.626 68 V HA -0.128 3.991 4.120 -0.002 0.000 0.252 68 V C 2.393 178.279 176.094 -0.346 0.000 1.067 68 V CA 1.499 63.517 62.300 -0.469 0.000 1.081 68 V CB -1.030 30.398 31.823 -0.659 0.000 0.686 68 V HN 0.165 nan 8.190 nan 0.000 0.468 69 A N -0.045 122.618 122.820 -0.261 0.000 2.121 69 A HA -0.135 4.184 4.320 -0.002 0.000 0.218 69 A C 2.288 179.781 177.584 -0.152 0.000 1.154 69 A CA 1.986 53.913 52.037 -0.185 0.000 0.679 69 A CB -0.697 18.221 19.000 -0.136 0.000 0.795 69 A HN 0.486 nan 8.150 nan 0.000 0.458 70 T N -0.453 114.013 114.554 -0.147 0.000 3.067 70 T HA 0.199 4.548 4.350 -0.002 0.000 0.257 70 T C 0.733 175.375 174.700 -0.096 0.000 1.105 70 T CA -0.039 62.000 62.100 -0.103 0.000 1.104 70 T CB -0.293 68.527 68.868 -0.079 0.000 0.925 70 T HN 0.434 nan 8.240 nan 0.000 0.498 71 I N 2.415 122.903 120.570 -0.137 0.000 2.529 71 I HA 0.076 4.244 4.170 -0.002 0.000 0.284 71 I C -0.225 175.836 176.117 -0.094 0.000 1.082 71 I CA -0.353 60.889 61.300 -0.098 0.000 1.406 71 I CB 0.756 38.649 38.000 -0.179 0.000 1.405 71 I HN -0.067 nan 8.210 nan 0.000 0.548 72 D N 6.680 127.085 120.400 0.009 0.000 2.483 72 D HA 0.089 4.728 4.640 -0.002 0.000 0.220 72 D C 1.051 177.369 176.300 0.029 0.000 1.173 72 D CA -0.230 53.780 54.000 0.017 0.000 0.964 72 D CB 0.822 41.650 40.800 0.047 0.000 1.046 72 D HN 0.349 nan 8.370 nan 0.000 0.517 73 V N 3.442 123.330 119.914 -0.044 0.000 2.380 73 V HA -0.268 3.851 4.120 -0.002 0.000 0.251 73 V C 1.858 178.003 176.094 0.085 0.000 1.063 73 V CA 1.802 64.091 62.300 -0.018 0.000 1.055 73 V CB -0.323 31.497 31.823 -0.005 0.000 0.657 73 V HN 0.551 nan 8.190 nan 0.000 0.455 74 D N 0.352 120.797 120.400 0.074 0.000 2.084 74 D HA -0.151 4.488 4.640 -0.002 0.000 0.194 74 D C 2.298 178.655 176.300 0.095 0.000 0.990 74 D CA 1.796 55.846 54.000 0.084 0.000 0.826 74 D CB -0.298 40.537 40.800 0.057 0.000 0.971 74 D HN 0.457 nan 8.370 nan 0.000 0.453 75 A N 1.171 124.052 122.820 0.102 0.000 1.892 75 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 75 A C 2.234 179.924 177.584 0.176 0.000 1.188 75 A CA 1.324 53.443 52.037 0.138 0.000 0.631 75 A CB -0.864 18.230 19.000 0.157 0.000 0.822 75 A HN 0.252 nan 8.150 nan 0.000 0.447 76 L N -0.170 121.140 121.223 0.144 0.000 2.012 76 L HA -0.148 4.191 4.340 -0.002 0.000 0.210 76 L C 2.460 179.364 176.870 0.058 0.000 1.073 76 L CA 2.909 57.712 54.840 -0.063 0.000 0.748 76 L CB -1.105 40.804 42.059 -0.250 0.000 0.891 76 L HN 0.390 nan 8.230 nan 0.000 0.431 77 T N -0.309 114.332 114.554 0.144 0.000 2.720 77 T HA -0.191 4.158 4.350 -0.002 0.000 0.268 77 T C 1.976 176.713 174.700 0.061 0.000 1.037 77 T CA 1.749 63.916 62.100 0.112 0.000 1.144 77 T CB -0.244 68.695 68.868 0.118 0.000 0.864 77 T HN 0.386 nan 8.240 nan 0.000 0.444 78 R N 0.935 121.478 120.500 0.072 0.000 2.081 78 R HA -0.066 4.273 4.340 -0.002 0.000 0.235 78 R C 2.195 178.534 176.300 0.064 0.000 1.131 78 R CA 1.360 57.496 56.100 0.060 0.000 0.960 78 R CB -0.298 30.039 30.300 0.062 0.000 0.856 78 R HN 0.359 nan 8.270 nan 0.000 0.436 79 D N 0.654 121.104 120.400 0.084 0.000 2.178 79 D HA -0.104 4.535 4.640 -0.002 0.000 0.201 79 D C 1.853 178.195 176.300 0.070 0.000 0.980 79 D CA 1.035 55.090 54.000 0.091 0.000 0.842 79 D CB 0.026 40.917 40.800 0.152 0.000 0.948 79 D HN 0.251 nan 8.370 nan 0.000 0.472 80 I N 0.781 121.382 120.570 0.051 0.000 2.406 80 I HA -0.142 4.027 4.170 -0.002 0.000 0.249 80 I C 2.140 178.313 176.117 0.093 0.000 1.122 80 I CA 0.694 62.032 61.300 0.063 0.000 1.431 80 I CB -0.025 37.981 38.000 0.010 0.000 1.087 80 I HN -0.083 nan 8.210 nan 0.000 0.424 81 E N 0.584 120.816 120.200 0.053 0.000 2.150 81 E HA -0.266 4.083 4.350 -0.002 0.000 0.193 81 E C 1.924 178.534 176.600 0.016 0.000 0.985 81 E CA 0.908 57.326 56.400 0.030 0.000 0.814 81 E CB -0.017 29.694 29.700 0.018 0.000 0.752 81 E HN 0.432 nan 8.360 nan 0.000 0.466 82 E N 0.522 120.747 120.200 0.042 0.000 2.274 82 E HA -0.125 4.224 4.350 -0.002 0.000 0.194 82 E C 1.833 178.477 176.600 0.072 0.000 0.996 82 E CA 0.450 56.875 56.400 0.041 0.000 0.840 82 E CB 0.356 30.086 29.700 0.050 0.000 0.772 82 E HN 0.053 nan 8.360 nan 0.000 0.491 83 V N 0.898 120.885 119.914 0.121 0.000 2.407 83 V HA -0.213 3.906 4.120 -0.002 0.000 0.245 83 V C 2.331 178.572 176.094 0.246 0.000 1.041 83 V CA 1.419 63.841 62.300 0.203 0.000 1.040 83 V CB -0.309 31.672 31.823 0.265 0.000 0.671 83 V HN 0.362 nan 8.190 nan 0.000 0.455 84 M N 0.734 120.433 119.600 0.165 0.000 2.213 84 M HA -0.133 4.346 4.480 -0.002 0.000 0.263 84 M C 1.949 178.094 176.300 -0.258 0.000 1.062 84 M CA 2.160 57.448 55.300 -0.020 0.000 1.105 84 M CB -0.728 31.781 32.600 -0.151 0.000 1.385 84 M HN 0.611 nan 8.290 nan 0.000 0.417 85 T N -4.244 110.182 114.554 -0.212 0.000 3.069 85 T HA 0.111 4.460 4.350 -0.002 0.000 0.252 85 T C 0.497 175.125 174.700 -0.119 0.000 1.053 85 T CA -0.159 61.798 62.100 -0.239 0.000 0.964 85 T CB -0.162 68.586 68.868 -0.200 0.000 1.005 85 T HN 0.028 nan 8.240 nan 0.000 0.532 86 T N 2.585 117.127 114.554 -0.019 0.000 2.853 86 T HA 0.467 4.816 4.350 -0.002 0.000 0.317 86 T C -0.166 174.582 174.700 0.080 0.000 1.059 86 T CA -0.364 61.753 62.100 0.029 0.000 0.954 86 T CB 1.150 70.064 68.868 0.077 0.000 0.994 86 T HN 0.281 nan 8.240 nan 0.000 0.479 87 S N 3.836 119.517 115.700 -0.032 0.000 2.510 87 S HA 0.156 4.625 4.470 -0.002 0.000 0.279 87 S C 0.033 174.661 174.600 0.047 0.000 1.284 87 S CA -0.522 57.654 58.200 -0.040 0.000 1.059 87 S CB 0.234 63.359 63.200 -0.124 0.000 0.901 87 S HN 0.443 nan 8.310 nan 0.000 0.491 88 Q N 5.043 124.880 119.800 0.062 0.000 2.230 88 Q HA 0.317 4.656 4.340 -0.002 0.000 0.253 88 Q C -1.414 174.475 176.000 -0.185 0.000 0.919 88 Q CA -2.397 53.314 55.803 -0.153 0.000 0.908 88 Q CB 1.279 29.673 28.738 -0.574 0.000 1.245 88 Q HN 0.488 nan 8.270 nan 0.000 0.437 89 P HA -0.138 nan 4.420 nan 0.000 0.218 89 P C 0.823 178.196 177.300 0.121 0.000 1.148 89 P CA 1.462 64.592 63.100 0.049 0.000 0.822 89 P CB -0.083 31.696 31.700 0.132 0.000 0.784 90 W N -2.513 118.901 121.300 0.190 0.000 3.077 90 W HA 0.132 4.791 4.660 -0.002 0.000 0.245 90 W C 0.097 176.841 176.519 0.376 0.000 1.316 90 W CA -0.274 57.203 57.345 0.220 0.000 1.537 90 W CB -0.960 28.612 29.460 0.187 0.000 1.131 90 W HN 0.037 nan 8.180 nan 0.000 0.695 91 W N 2.632 123.876 121.300 -0.094 0.000 1.707 91 W HA 0.187 4.846 4.660 -0.002 0.000 0.307 91 W C -3.012 173.514 176.519 0.012 0.000 1.032 91 W CA -1.586 55.745 57.345 -0.024 0.000 0.860 91 W CB -0.121 29.317 29.460 -0.036 0.000 0.776 91 W HN -0.331 nan 8.180 nan 0.000 0.269 92 P HA 0.058 nan 4.420 nan 0.000 0.265 92 P C -0.086 177.201 177.300 -0.021 0.000 1.187 92 P CA 0.867 63.952 63.100 -0.024 0.000 0.766 92 P CB 0.789 32.504 31.700 0.025 0.000 0.820 93 A N 2.870 125.569 122.820 -0.202 0.000 2.309 93 A HA 0.206 4.525 4.320 -0.002 0.000 0.290 93 A C -0.080 177.218 177.584 -0.476 0.000 1.206 93 A CA -0.404 51.313 52.037 -0.533 0.000 0.850 93 A CB -0.263 18.007 19.000 -1.217 0.000 1.118 93 A HN 0.416 nan 8.150 nan 0.000 0.523 94 D N 1.847 122.034 120.400 -0.355 0.000 2.487 94 D HA 0.164 4.803 4.640 -0.002 0.000 0.243 94 D C 0.033 176.135 176.300 -0.332 0.000 1.154 94 D CA 1.117 54.789 54.000 -0.548 0.000 0.876 94 D CB -0.194 40.602 40.800 -0.007 0.000 1.161 94 D HN 0.523 nan 8.370 nan 0.000 0.478 95 Y N 0.142 120.121 120.300 -0.535 0.000 3.978 95 Y HA -0.266 4.283 4.550 -0.002 0.000 0.219 95 Y C 1.561 177.321 175.900 -0.232 0.000 1.153 95 Y CA 0.540 58.457 58.100 -0.306 0.000 1.718 95 Y CB -1.988 36.369 38.460 -0.171 0.000 1.541 95 Y HN 0.730 nan 8.280 nan 0.000 0.640 96 G N -0.369 108.286 108.800 -0.241 0.000 2.258 96 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.274 96 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.274 96 G C -0.303 174.489 174.900 -0.181 0.000 1.021 96 G CA 0.711 45.679 45.100 -0.218 0.000 0.798 96 G HN 0.918 nan 8.290 nan 0.000 0.507 97 H N -1.833 117.066 119.070 -0.285 0.000 3.149 97 H HA 0.351 4.906 4.556 -0.002 0.000 0.334 97 H C -0.080 175.080 175.328 -0.280 0.000 1.000 97 H CA -0.987 54.919 56.048 -0.236 0.000 1.415 97 H CB 0.744 30.449 29.762 -0.095 0.000 1.819 97 H HN 0.054 nan 8.280 nan 0.000 0.486 98 Y N 2.672 122.947 120.300 -0.043 0.000 2.529 98 Y HA 0.078 4.627 4.550 -0.002 0.000 0.290 98 Y C 2.246 177.885 175.900 -0.435 0.000 1.177 98 Y CA 0.774 58.678 58.100 -0.327 0.000 1.305 98 Y CB 0.134 38.157 38.460 -0.728 0.000 1.047 98 Y HN 0.803 nan 8.280 nan 0.000 0.522 99 G N 1.547 110.485 108.800 0.230 0.000 2.529 99 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.219 99 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.219 99 G C -0.507 174.351 174.900 -0.070 0.000 1.177 99 G CA 0.945 46.071 45.100 0.044 0.000 0.773 99 G HN 0.289 nan 8.290 nan 0.000 0.573 100 P HA -0.050 nan 4.420 nan 0.000 0.216 100 P C 2.026 179.413 177.300 0.145 0.000 1.153 100 P CA 0.498 63.619 63.100 0.035 0.000 0.848 100 P CB -0.112 31.670 31.700 0.137 0.000 0.787 101 L N -1.476 119.843 121.223 0.161 0.000 2.079 101 L HA -0.145 4.194 4.340 -0.002 0.000 0.210 101 L C 1.971 179.038 176.870 0.327 0.000 1.081 101 L CA 1.993 56.972 54.840 0.232 0.000 0.752 101 L CB -1.367 40.838 42.059 0.243 0.000 0.896 101 L HN -0.133 nan 8.230 nan 0.000 0.433 102 F N -0.570 119.469 119.950 0.148 0.000 2.325 102 F HA -0.051 4.475 4.527 -0.002 0.000 0.299 102 F C 2.388 178.256 175.800 0.114 0.000 1.090 102 F CA 0.562 58.627 58.000 0.108 0.000 1.392 102 F CB -0.861 38.193 39.000 0.090 0.000 1.053 102 F HN 0.111 nan 8.300 nan 0.000 0.521 103 I N -0.432 120.301 120.570 0.272 0.000 2.233 103 I HA -0.252 3.917 4.170 -0.002 0.000 0.243 103 I C 2.714 179.046 176.117 0.360 0.000 1.093 103 I CA 1.029 62.464 61.300 0.225 0.000 1.380 103 I CB -0.387 37.604 38.000 -0.015 0.000 1.067 103 I HN -0.008 nan 8.210 nan 0.000 0.413 104 R N 1.307 121.975 120.500 0.280 0.000 2.073 104 R HA -0.222 4.117 4.340 -0.002 0.000 0.234 104 R C 2.456 178.796 176.300 0.066 0.000 1.134 104 R CA 1.735 57.966 56.100 0.219 0.000 0.952 104 R CB -0.311 30.068 30.300 0.133 0.000 0.850 104 R HN 0.258 nan 8.270 nan 0.000 0.433 105 M N 0.225 119.895 119.600 0.117 0.000 2.082 105 M HA -0.209 4.269 4.480 -0.002 0.000 0.258 105 M C 2.098 178.449 176.300 0.085 0.000 1.069 105 M CA 2.342 57.686 55.300 0.074 0.000 1.102 105 M CB -0.190 32.488 32.600 0.130 0.000 1.336 105 M HN 0.351 nan 8.290 nan 0.000 0.404 106 A N 0.447 123.383 122.820 0.193 0.000 1.897 106 A HA -0.216 4.103 4.320 -0.002 0.000 0.215 106 A C 2.054 179.748 177.584 0.184 0.000 1.181 106 A CA 1.373 53.526 52.037 0.192 0.000 0.620 106 A CB -1.559 17.648 19.000 0.346 0.000 0.821 106 A HN 0.934 nan 8.150 nan 0.000 0.443 107 W N 0.394 121.804 121.300 0.183 0.000 2.358 107 W HA -0.231 4.428 4.660 -0.002 0.000 0.303 107 W C 1.718 178.341 176.519 0.172 0.000 1.208 107 W CA 1.778 59.219 57.345 0.160 0.000 1.274 107 W CB -0.702 28.958 29.460 0.334 0.000 1.138 107 W HN 0.602 nan 8.180 nan 0.000 0.515 108 H N 0.443 119.228 119.070 -0.475 0.000 2.423 108 H HA -0.063 4.492 4.556 -0.002 0.000 0.297 108 H C 2.581 177.631 175.328 -0.462 0.000 1.075 108 H CA 0.919 56.550 56.048 -0.696 0.000 1.342 108 H CB -0.039 29.471 29.762 -0.421 0.000 1.395 108 H HN 0.240 nan 8.280 nan 0.000 0.530 109 A N 1.010 123.741 122.820 -0.149 0.000 1.933 109 A HA -0.115 4.204 4.320 -0.002 0.000 0.218 109 A C 2.430 179.893 177.584 -0.201 0.000 1.175 109 A CA 1.610 53.544 52.037 -0.172 0.000 0.628 109 A CB -0.514 18.418 19.000 -0.113 0.000 0.814 109 A HN 0.451 nan 8.150 nan 0.000 0.444 110 A N -1.207 121.496 122.820 -0.195 0.000 2.169 110 A HA 0.401 4.720 4.320 -0.002 0.000 0.210 110 A C 2.030 179.517 177.584 -0.163 0.000 1.168 110 A CA 0.999 52.930 52.037 -0.177 0.000 0.813 110 A CB -0.683 18.199 19.000 -0.197 0.000 0.861 110 A HN 0.724 nan 8.150 nan 0.000 0.481 111 G N 0.092 108.663 108.800 -0.381 0.000 2.882 111 G HA2 0.063 4.022 3.960 -0.002 0.000 0.206 111 G HA3 0.063 4.022 3.960 -0.002 0.000 0.206 111 G C 1.160 175.737 174.900 -0.538 0.000 1.155 111 G CA 1.428 46.153 45.100 -0.625 0.000 0.800 111 G HN 0.605 nan 8.290 nan 0.000 0.524 112 T N -3.551 110.836 114.554 -0.278 0.000 3.086 112 T HA 0.141 4.490 4.350 -0.002 0.000 0.250 112 T C 0.774 175.559 174.700 0.143 0.000 1.074 112 T CA -0.666 61.365 62.100 -0.115 0.000 0.988 112 T CB -0.213 68.530 68.868 -0.208 0.000 0.988 112 T HN 0.138 nan 8.240 nan 0.000 0.530 113 Y N 3.656 123.951 120.300 -0.008 0.000 2.677 113 Y HA 0.372 4.921 4.550 -0.002 0.000 0.335 113 Y C 0.102 176.045 175.900 0.071 0.000 1.162 113 Y CA -0.947 57.170 58.100 0.028 0.000 1.483 113 Y CB 0.120 38.569 38.460 -0.018 0.000 1.209 113 Y HN 0.063 nan 8.280 nan 0.000 0.528 114 R N 5.698 125.913 120.500 -0.475 0.000 2.532 114 R HA 0.320 4.659 4.340 -0.002 0.000 0.295 114 R C 0.481 176.361 176.300 -0.700 0.000 0.968 114 R CA -0.652 55.216 56.100 -0.386 0.000 0.916 114 R CB 1.025 31.233 30.300 -0.154 0.000 1.124 114 R HN 0.778 nan 8.270 nan 0.000 0.463 115 I N 0.930 121.266 120.570 -0.391 0.000 2.406 115 I HA -0.128 4.041 4.170 -0.002 0.000 0.249 115 I C 1.834 177.880 176.117 -0.119 0.000 1.122 115 I CA 1.372 62.517 61.300 -0.257 0.000 1.431 115 I CB -0.298 37.678 38.000 -0.039 0.000 1.087 115 I HN 0.702 nan 8.210 nan 0.000 0.424 116 H N 0.869 119.847 119.070 -0.155 0.000 2.387 116 H HA -0.169 4.386 4.556 -0.002 0.000 0.299 116 H C 1.429 176.682 175.328 -0.125 0.000 1.099 116 H CA 2.268 58.250 56.048 -0.110 0.000 1.315 116 H CB 0.057 29.769 29.762 -0.084 0.000 1.380 116 H HN 0.517 nan 8.280 nan 0.000 0.513 117 D N -3.237 117.088 120.400 -0.125 0.000 2.500 117 D HA 0.145 4.783 4.640 -0.002 0.000 0.218 117 D C 1.512 177.710 176.300 -0.170 0.000 1.140 117 D CA 0.694 54.594 54.000 -0.167 0.000 0.830 117 D CB -0.223 40.506 40.800 -0.117 0.000 1.055 117 D HN 0.417 nan 8.370 nan 0.000 0.512 118 G N 1.027 109.687 108.800 -0.232 0.000 2.143 118 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.248 118 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.248 118 G C 0.255 175.111 174.900 -0.074 0.000 0.991 118 G CA 0.174 45.171 45.100 -0.172 0.000 0.689 118 G HN 0.430 nan 8.290 nan 0.000 0.522 119 R N -0.173 120.235 120.500 -0.153 0.000 2.546 119 R HA 0.597 4.936 4.340 -0.002 0.000 0.266 119 R C 1.162 177.463 176.300 0.001 0.000 1.086 119 R CA 0.451 56.499 56.100 -0.087 0.000 1.160 119 R CB 0.556 30.743 30.300 -0.188 0.000 1.138 119 R HN 1.420 nan 8.270 nan 0.000 0.567 120 G N -0.626 108.229 108.800 0.093 0.000 2.681 120 G HA2 0.176 4.135 3.960 -0.002 0.000 0.220 120 G HA3 0.176 4.135 3.960 -0.002 0.000 0.220 120 G C 0.006 175.016 174.900 0.182 0.000 1.353 120 G CA -0.390 44.850 45.100 0.234 0.000 0.872 120 G HN 1.178 nan 8.290 nan 0.000 0.557 121 G N -2.712 106.160 108.800 0.121 0.000 2.663 121 G HA2 0.461 4.419 3.960 -0.002 0.000 0.686 121 G HA3 0.461 4.419 3.960 -0.002 0.000 0.686 121 G C 0.768 175.621 174.900 -0.078 0.000 1.288 121 G CA 0.909 46.022 45.100 0.022 0.000 0.836 121 G HN 2.502 nan 8.290 nan 0.000 0.584 122 A N 0.013 122.746 122.820 -0.145 0.000 2.278 122 A HA 0.549 4.868 4.320 -0.002 0.000 0.212 122 A C 2.496 179.992 177.584 -0.147 0.000 1.213 122 A CA 1.473 53.416 52.037 -0.156 0.000 0.840 122 A CB -0.527 18.364 19.000 -0.182 0.000 0.866 122 A HN 2.350 nan 8.150 nan 0.000 0.489 123 G N 0.154 108.874 108.800 -0.133 0.000 2.475 123 G HA2 -0.019 3.940 3.960 -0.002 0.000 0.220 123 G HA3 -0.019 3.940 3.960 -0.002 0.000 0.220 123 G C 1.163 176.010 174.900 -0.089 0.000 1.125 123 G CA 1.230 46.258 45.100 -0.120 0.000 0.755 123 G HN 0.783 nan 8.290 nan 0.000 0.565 124 G N -1.383 107.371 108.800 -0.076 0.000 3.377 124 G HA2 0.426 4.385 3.960 -0.002 0.000 0.257 124 G HA3 0.426 4.385 3.960 -0.002 0.000 0.257 124 G C 1.013 175.843 174.900 -0.117 0.000 1.038 124 G CA 0.455 45.510 45.100 -0.074 0.000 0.809 124 G HN 1.293 nan 8.290 nan 0.000 0.526 125 G N 0.989 109.708 108.800 -0.134 0.000 2.249 125 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.273 125 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.273 125 G C 1.245 175.984 174.900 -0.268 0.000 1.036 125 G CA 0.601 45.588 45.100 -0.189 0.000 0.824 125 G HN 0.205 nan 8.290 nan 0.000 0.504 126 M N -0.470 119.024 119.600 -0.175 0.000 2.358 126 M HA -0.063 4.416 4.480 -0.002 0.000 0.264 126 M C 2.292 178.449 176.300 -0.238 0.000 1.064 126 M CA 1.713 56.934 55.300 -0.131 0.000 1.093 126 M CB -0.797 31.778 32.600 -0.042 0.000 1.401 126 M HN 0.633 nan 8.290 nan 0.000 0.440 127 Q N 1.037 120.663 119.800 -0.290 0.000 2.368 127 Q HA -0.186 4.153 4.340 -0.002 0.000 0.210 127 Q C 1.735 177.526 176.000 -0.348 0.000 0.982 127 Q CA 1.241 56.850 55.803 -0.322 0.000 0.884 127 Q CB 0.041 28.616 28.738 -0.273 0.000 0.933 127 Q HN 0.637 nan 8.270 nan 0.000 0.460 128 R N -1.693 118.516 120.500 -0.484 0.000 2.317 128 R HA 0.145 4.484 4.340 -0.002 0.000 0.208 128 R C -0.090 175.877 176.300 -0.556 0.000 0.914 128 R CA -0.070 55.660 56.100 -0.618 0.000 1.060 128 R CB 0.219 29.968 30.300 -0.918 0.000 1.015 128 R HN 0.000 nan 8.270 nan 0.000 0.498 129 F N 0.461 120.274 119.950 -0.229 0.000 2.594 129 F HA 0.631 5.157 4.527 -0.002 0.000 0.335 129 F C 0.452 176.156 175.800 -0.160 0.000 1.058 129 F CA -1.803 56.093 58.000 -0.174 0.000 0.981 129 F CB 1.326 40.243 39.000 -0.139 0.000 1.289 129 F HN -0.067 nan 8.300 nan 0.000 0.490 130 A N 1.713 124.610 122.820 0.128 0.000 2.386 130 A HA 0.328 4.647 4.320 -0.002 0.000 0.248 130 A C -1.874 175.741 177.584 0.052 0.000 1.082 130 A CA -1.024 51.041 52.037 0.047 0.000 0.789 130 A CB -0.145 18.889 19.000 0.056 0.000 1.025 130 A HN 0.537 nan 8.150 nan 0.000 0.490 131 P HA 0.067 nan 4.420 nan 0.000 0.252 131 P C 1.179 178.338 177.300 -0.234 0.000 1.218 131 P CA 0.339 63.477 63.100 0.065 0.000 0.807 131 P CB 0.135 32.021 31.700 0.310 0.000 1.072 132 L N 1.107 121.971 121.223 -0.597 0.000 2.127 132 L HA -0.185 4.154 4.340 -0.002 0.000 0.211 132 L C 2.210 178.780 176.870 -0.500 0.000 1.089 132 L CA 1.880 56.105 54.840 -1.024 0.000 0.757 132 L CB -1.274 40.216 42.059 -0.948 0.000 0.899 132 L HN 0.138 nan 8.230 nan 0.000 0.434 133 N N -1.481 117.057 118.700 -0.271 0.000 2.520 133 N HA -0.128 4.611 4.740 -0.002 0.000 0.185 133 N C 1.271 176.767 175.510 -0.023 0.000 1.068 133 N CA 1.073 54.035 53.050 -0.148 0.000 0.911 133 N CB -0.260 38.140 38.487 -0.146 0.000 0.961 133 N HN 0.074 nan 8.380 nan 0.000 0.446 134 S N -1.629 114.042 115.700 -0.048 0.000 2.603 134 S HA 0.173 4.642 4.470 -0.002 0.000 0.232 134 S C -0.541 174.061 174.600 0.003 0.000 1.016 134 S CA -0.789 57.384 58.200 -0.044 0.000 0.976 134 S CB 0.044 63.142 63.200 -0.170 0.000 0.921 134 S HN 0.255 nan 8.310 nan 0.000 0.516 135 W N 3.201 124.326 121.300 -0.291 0.000 2.231 135 W HA 0.180 4.839 4.660 -0.002 0.000 0.341 135 W C -1.943 174.400 176.519 -0.295 0.000 1.298 135 W CA -1.758 55.298 57.345 -0.481 0.000 1.266 135 W CB -0.370 28.868 29.460 -0.371 0.000 1.172 135 W HN 0.108 nan 8.180 nan 0.000 0.568 136 P HA -0.223 nan 4.420 nan 0.000 0.215 136 P C 1.063 178.288 177.300 -0.126 0.000 1.157 136 P CA 2.032 65.051 63.100 -0.136 0.000 0.874 136 P CB 0.286 31.894 31.700 -0.153 0.000 0.790 137 D N -1.874 118.483 120.400 -0.073 0.000 2.350 137 D HA -0.078 4.561 4.640 -0.002 0.000 0.216 137 D C 0.842 177.155 176.300 0.022 0.000 0.968 137 D CA 0.746 54.727 54.000 -0.032 0.000 0.894 137 D CB -0.561 40.175 40.800 -0.106 0.000 0.909 137 D HN 0.051 nan 8.370 nan 0.000 0.520 138 N N 0.015 118.701 118.700 -0.024 0.000 2.251 138 N HA 0.197 4.936 4.740 -0.002 0.000 0.217 138 N C -0.444 174.877 175.510 -0.315 0.000 1.124 138 N CA -0.086 52.948 53.050 -0.026 0.000 0.843 138 N CB 0.374 38.858 38.487 -0.005 0.000 1.024 138 N HN 0.016 nan 8.380 nan 0.000 0.501 139 A N -0.071 122.339 122.820 -0.684 0.000 2.498 139 A HA 0.354 4.673 4.320 -0.002 0.000 0.239 139 A C 1.174 178.280 177.584 -0.797 0.000 1.068 139 A CA 0.382 51.487 52.037 -1.553 0.000 0.766 139 A CB 0.147 18.327 19.000 -1.367 0.000 1.003 139 A HN 0.319 nan 8.150 nan 0.000 0.497 140 S N -0.091 115.172 115.700 -0.729 0.000 2.361 140 S HA -0.202 4.267 4.470 -0.002 0.000 0.247 140 S C 1.104 175.516 174.600 -0.313 0.000 1.218 140 S CA 1.430 59.359 58.200 -0.452 0.000 1.502 140 S CB -1.917 61.097 63.200 -0.310 0.000 1.893 140 S HN 0.712 nan 8.310 nan 0.000 0.610 141 L N 2.279 123.386 121.223 -0.192 0.000 2.362 141 L HA -0.118 4.221 4.340 -0.002 0.000 0.219 141 L C 2.491 179.317 176.870 -0.073 0.000 1.134 141 L CA 1.632 56.419 54.840 -0.088 0.000 0.807 141 L CB -0.740 41.287 42.059 -0.053 0.000 0.927 141 L HN 0.572 nan 8.230 nan 0.000 0.447 142 D N 0.611 120.996 120.400 -0.025 0.000 2.117 142 D HA -0.218 4.421 4.640 -0.002 0.000 0.197 142 D C 1.656 177.914 176.300 -0.070 0.000 0.987 142 D CA 1.184 55.174 54.000 -0.016 0.000 0.829 142 D CB -0.227 40.638 40.800 0.109 0.000 0.961 142 D HN 0.263 nan 8.370 nan 0.000 0.460 143 K N 1.254 121.561 120.400 -0.156 0.000 2.103 143 K HA 0.105 4.424 4.320 -0.002 0.000 0.204 143 K C 2.423 179.026 176.600 0.005 0.000 1.052 143 K CA 0.977 57.221 56.287 -0.072 0.000 0.945 143 K CB -0.676 31.492 32.500 -0.554 0.000 0.722 143 K HN 0.241 nan 8.250 nan 0.000 0.443 144 A N 2.602 125.378 122.820 -0.075 0.000 1.859 144 A HA -0.222 4.097 4.320 -0.002 0.000 0.217 144 A C 2.349 180.007 177.584 0.124 0.000 1.198 144 A CA 1.812 53.913 52.037 0.108 0.000 0.629 144 A CB -0.587 18.497 19.000 0.141 0.000 0.830 144 A HN 0.286 nan 8.150 nan 0.000 0.446 145 R N -1.470 119.042 120.500 0.020 0.000 2.091 145 R HA -0.153 4.186 4.340 -0.002 0.000 0.238 145 R C 2.436 178.808 176.300 0.120 0.000 1.136 145 R CA 1.519 57.614 56.100 -0.009 0.000 0.959 145 R CB -0.327 29.849 30.300 -0.206 0.000 0.856 145 R HN 0.424 nan 8.270 nan 0.000 0.437 146 R N 1.497 122.068 120.500 0.119 0.000 2.117 146 R HA -0.096 4.243 4.340 -0.002 0.000 0.243 146 R C 1.969 178.542 176.300 0.455 0.000 1.143 146 R CA 1.450 57.689 56.100 0.231 0.000 0.968 146 R CB -0.761 29.615 30.300 0.127 0.000 0.863 146 R HN 0.239 nan 8.270 nan 0.000 0.444 147 L N -0.128 121.358 121.223 0.439 0.000 2.265 147 L HA -0.113 4.226 4.340 -0.002 0.000 0.215 147 L C 1.743 178.806 176.870 0.321 0.000 1.117 147 L CA 0.796 55.853 54.840 0.362 0.000 0.782 147 L CB -0.229 41.885 42.059 0.091 0.000 0.914 147 L HN 0.205 nan 8.230 nan 0.000 0.441 148 L N -1.674 119.731 121.223 0.302 0.000 2.591 148 L HA -0.096 4.243 4.340 -0.002 0.000 0.228 148 L C 2.144 179.183 176.870 0.281 0.000 1.133 148 L CA 0.049 55.019 54.840 0.217 0.000 0.880 148 L CB -0.379 41.748 42.059 0.114 0.000 1.033 148 L HN 0.489 nan 8.230 nan 0.000 0.450 149 W N 3.098 124.578 121.300 0.300 0.000 2.321 149 W HA -0.190 4.469 4.660 -0.002 0.000 0.306 149 W C -1.024 175.562 176.519 0.112 0.000 1.217 149 W CA 1.227 58.730 57.345 0.264 0.000 1.257 149 W CB -1.062 28.571 29.460 0.289 0.000 1.145 149 W HN 0.119 nan 8.180 nan 0.000 0.509 150 P HA -0.203 nan 4.420 nan 0.000 0.218 150 P C 1.740 178.878 177.300 -0.270 0.000 1.148 150 P CA 2.064 64.987 63.100 -0.295 0.000 0.822 150 P CB -0.179 31.507 31.700 -0.023 0.000 0.784 151 V N -0.261 119.552 119.914 -0.168 0.000 2.346 151 V HA -0.177 3.942 4.120 -0.002 0.000 0.244 151 V C 2.424 178.412 176.094 -0.176 0.000 1.037 151 V CA 1.672 63.911 62.300 -0.100 0.000 1.029 151 V CB -0.940 30.817 31.823 -0.110 0.000 0.663 151 V HN 0.030 nan 8.190 nan 0.000 0.454 152 K N 1.106 121.269 120.400 -0.395 0.000 2.063 152 K HA -0.204 4.114 4.320 -0.002 0.000 0.208 152 K C 2.147 178.439 176.600 -0.512 0.000 1.048 152 K CA 1.737 57.720 56.287 -0.507 0.000 0.928 152 K CB -0.390 31.651 32.500 -0.765 0.000 0.713 152 K HN 0.380 nan 8.250 nan 0.000 0.442 153 K N 0.491 120.313 120.400 -0.963 0.000 2.032 153 K HA -0.212 4.107 4.320 -0.002 0.000 0.209 153 K C 2.116 178.488 176.600 -0.379 0.000 1.048 153 K CA 1.852 57.572 56.287 -0.945 0.000 0.927 153 K CB -0.142 31.629 32.500 -1.215 0.000 0.712 153 K HN 0.110 nan 8.250 nan 0.000 0.441 154 K N -0.756 119.489 120.400 -0.258 0.000 2.103 154 K HA -0.126 4.193 4.320 -0.002 0.000 0.204 154 K C 1.673 178.133 176.600 -0.233 0.000 1.052 154 K CA 1.199 57.379 56.287 -0.178 0.000 0.945 154 K CB 0.012 32.447 32.500 -0.108 0.000 0.722 154 K HN 0.163 nan 8.250 nan 0.000 0.443 155 Y N 0.192 120.402 120.300 -0.150 0.000 2.490 155 Y HA 0.155 4.704 4.550 -0.002 0.000 0.285 155 Y C 1.646 177.510 175.900 -0.060 0.000 1.117 155 Y CA 0.519 58.564 58.100 -0.093 0.000 1.262 155 Y CB -0.130 38.279 38.460 -0.084 0.000 1.043 155 Y HN 0.354 nan 8.280 nan 0.000 0.553 156 G N 1.435 110.253 108.800 0.030 0.000 2.622 156 G HA2 -0.466 3.493 3.960 -0.002 0.000 0.307 156 G HA3 -0.466 3.493 3.960 -0.002 0.000 0.307 156 G C 1.279 176.249 174.900 0.117 0.000 1.226 156 G CA 0.880 46.007 45.100 0.045 0.000 0.997 156 G HN 0.466 nan 8.290 nan 0.000 0.551 157 K N 0.768 121.260 120.400 0.154 0.000 2.442 157 K HA 0.128 4.447 4.320 -0.002 0.000 0.198 157 K C 1.990 178.837 176.600 0.411 0.000 1.042 157 K CA 1.616 58.065 56.287 0.271 0.000 0.958 157 K CB -0.051 32.609 32.500 0.268 0.000 0.766 157 K HN 0.470 nan 8.250 nan 0.000 0.474 158 K N 0.402 120.965 120.400 0.271 0.000 2.432 158 K HA 0.047 4.366 4.320 -0.002 0.000 0.196 158 K C -0.174 176.597 176.600 0.286 0.000 1.038 158 K CA 0.203 56.622 56.287 0.219 0.000 0.986 158 K CB 0.113 32.678 32.500 0.108 0.000 0.782 158 K HN 0.072 nan 8.250 nan 0.000 0.485 159 L N 0.664 122.085 121.223 0.330 0.000 2.439 159 L HA 0.193 4.532 4.340 -0.002 0.000 0.270 159 L C -0.523 176.452 176.870 0.175 0.000 0.972 159 L CA -0.520 54.493 54.840 0.289 0.000 0.836 159 L CB 1.803 43.923 42.059 0.102 0.000 1.255 159 L HN -0.022 nan 8.230 nan 0.000 0.404 160 S N 2.289 118.087 115.700 0.163 0.000 2.632 160 S HA 0.252 4.721 4.470 -0.002 0.000 0.271 160 S C 0.676 175.261 174.600 -0.025 0.000 1.260 160 S CA -0.337 57.818 58.200 -0.074 0.000 1.010 160 S CB 0.576 63.577 63.200 -0.331 0.000 0.965 160 S HN 0.769 nan 8.310 nan 0.000 0.534 161 W N 0.919 122.174 121.300 -0.076 0.000 2.425 161 W HA 0.038 4.697 4.660 -0.002 0.000 0.277 161 W C 2.627 179.081 176.519 -0.108 0.000 1.231 161 W CA 0.783 58.075 57.345 -0.089 0.000 1.248 161 W CB -0.425 28.933 29.460 -0.170 0.000 1.117 161 W HN 0.941 nan 8.180 nan 0.000 0.568 162 A N 0.339 123.212 122.820 0.090 0.000 1.858 162 A HA -0.235 4.084 4.320 -0.002 0.000 0.216 162 A C 1.741 179.354 177.584 0.048 0.000 1.190 162 A CA 2.170 54.211 52.037 0.007 0.000 0.617 162 A CB -0.922 18.040 19.000 -0.063 0.000 0.827 162 A HN 0.126 nan 8.150 nan 0.000 0.443 163 D N -0.514 119.946 120.400 0.101 0.000 2.097 163 D HA -0.119 4.520 4.640 -0.002 0.000 0.195 163 D C 1.907 178.316 176.300 0.182 0.000 0.989 163 D CA 1.370 55.476 54.000 0.176 0.000 0.827 163 D CB -0.471 40.544 40.800 0.359 0.000 0.966 163 D HN 0.309 nan 8.370 nan 0.000 0.456 164 L N 1.057 122.368 121.223 0.147 0.000 2.012 164 L HA -0.130 4.209 4.340 -0.002 0.000 0.210 164 L C 2.177 179.097 176.870 0.083 0.000 1.073 164 L CA 1.409 56.315 54.840 0.111 0.000 0.748 164 L CB -0.666 41.389 42.059 -0.007 0.000 0.891 164 L HN 0.008 nan 8.230 nan 0.000 0.431 165 I N -1.596 119.035 120.570 0.101 0.000 2.163 165 I HA -0.300 3.869 4.170 -0.002 0.000 0.243 165 I C 2.464 178.596 176.117 0.025 0.000 1.085 165 I CA 1.571 62.894 61.300 0.038 0.000 1.347 165 I CB -0.283 37.736 38.000 0.032 0.000 1.044 165 I HN 0.187 nan 8.210 nan 0.000 0.408 166 V N -0.174 119.781 119.914 0.068 0.000 2.649 166 V HA -0.229 3.890 4.120 -0.002 0.000 0.248 166 V C 2.061 178.253 176.094 0.163 0.000 1.054 166 V CA 1.238 63.603 62.300 0.108 0.000 1.073 166 V CB -0.165 31.690 31.823 0.054 0.000 0.699 166 V HN 0.369 nan 8.190 nan 0.000 0.463 167 F N 1.389 121.253 119.950 -0.144 0.000 2.259 167 F HA 0.043 4.569 4.527 -0.002 0.000 0.298 167 F C 2.139 177.759 175.800 -0.299 0.000 1.088 167 F CA 1.205 58.838 58.000 -0.612 0.000 1.358 167 F CB -0.537 37.972 39.000 -0.818 0.000 1.040 167 F HN 0.161 nan 8.300 nan 0.000 0.505 168 A N 0.193 122.881 122.820 -0.221 0.000 1.933 168 A HA -0.026 4.293 4.320 -0.002 0.000 0.218 168 A C 2.518 180.040 177.584 -0.103 0.000 1.175 168 A CA 1.549 53.433 52.037 -0.254 0.000 0.628 168 A CB -1.729 17.046 19.000 -0.374 0.000 0.814 168 A HN 0.459 nan 8.150 nan 0.000 0.444 169 G N -0.273 108.545 108.800 0.030 0.000 2.422 169 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.218 169 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.218 169 G C 1.474 176.429 174.900 0.091 0.000 1.146 169 G CA 1.256 46.476 45.100 0.199 0.000 0.769 169 G HN 0.593 nan 8.290 nan 0.000 0.547 170 N N -0.653 118.079 118.700 0.054 0.000 2.216 170 N HA -0.077 4.662 4.740 -0.002 0.000 0.183 170 N C 2.083 177.437 175.510 -0.260 0.000 1.017 170 N CA 1.121 54.164 53.050 -0.011 0.000 0.861 170 N CB -0.337 38.158 38.487 0.013 0.000 0.986 170 N HN 0.250 nan 8.380 nan 0.000 0.428 171 C N -0.104 118.917 119.300 -0.466 0.000 2.446 171 C HA 0.082 4.541 4.460 -0.002 0.000 0.277 171 C C 2.747 177.643 174.990 -0.155 0.000 1.275 171 C CA 0.662 59.453 59.018 -0.379 0.000 1.727 171 C CB -1.400 26.060 27.740 -0.466 0.000 2.010 171 C HN 0.569 nan 8.230 nan 0.000 0.486 172 A N 0.682 123.451 122.820 -0.086 0.000 1.859 172 A HA -0.196 4.123 4.320 -0.002 0.000 0.217 172 A C 2.095 179.565 177.584 -0.191 0.000 1.198 172 A CA 1.849 53.862 52.037 -0.039 0.000 0.629 172 A CB -0.873 18.123 19.000 -0.005 0.000 0.830 172 A HN 0.585 nan 8.150 nan 0.000 0.446 173 L N -0.509 120.531 121.223 -0.305 0.000 1.997 173 L HA -0.294 4.045 4.340 -0.002 0.000 0.216 173 L C 2.830 179.633 176.870 -0.111 0.000 1.074 173 L CA 2.028 56.669 54.840 -0.331 0.000 0.763 173 L CB -0.737 41.122 42.059 -0.335 0.000 0.890 173 L HN 0.497 nan 8.230 nan 0.000 0.434 174 E N -0.220 119.923 120.200 -0.095 0.000 2.058 174 E HA -0.227 4.122 4.350 -0.002 0.000 0.194 174 E C 2.280 178.874 176.600 -0.010 0.000 0.997 174 E CA 1.749 58.115 56.400 -0.057 0.000 0.801 174 E CB -0.326 29.329 29.700 -0.074 0.000 0.746 174 E HN 0.589 nan 8.360 nan 0.000 0.450 175 S N 0.536 116.237 115.700 0.002 0.000 2.442 175 S HA -0.106 4.363 4.470 -0.002 0.000 0.236 175 S C 1.804 176.464 174.600 0.100 0.000 1.007 175 S CA 0.885 59.128 58.200 0.071 0.000 0.965 175 S CB -0.229 63.056 63.200 0.142 0.000 0.773 175 S HN 0.177 nan 8.310 nan 0.000 0.504 176 M N 0.587 120.223 119.600 0.060 0.000 2.475 176 M HA 0.347 4.826 4.480 -0.002 0.000 0.261 176 M C 1.395 177.841 176.300 0.244 0.000 1.177 176 M CA 0.441 55.814 55.300 0.121 0.000 0.979 176 M CB 0.618 33.257 32.600 0.066 0.000 1.482 176 M HN 0.589 nan 8.290 nan 0.000 0.484 177 G N 1.203 110.105 108.800 0.171 0.000 2.201 177 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.212 177 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.212 177 G C -0.292 174.674 174.900 0.111 0.000 0.994 177 G CA -0.640 44.569 45.100 0.182 0.000 0.644 177 G HN 0.429 nan 8.290 nan 0.000 0.508 178 F N 2.031 121.894 119.950 -0.145 0.000 2.404 178 F HA 0.746 5.272 4.527 -0.002 0.000 0.354 178 F C 0.272 175.890 175.800 -0.303 0.000 1.122 178 F CA -1.671 56.047 58.000 -0.470 0.000 1.080 178 F CB 1.452 40.045 39.000 -0.678 0.000 1.131 178 F HN 0.007 nan 8.300 nan 0.000 0.471 179 K N 4.753 124.638 120.400 -0.859 0.000 2.276 179 K HA 0.300 4.619 4.320 -0.002 0.000 0.285 179 K C -0.164 175.943 176.600 -0.821 0.000 1.062 179 K CA -0.297 55.628 56.287 -0.604 0.000 0.918 179 K CB 0.464 32.715 32.500 -0.415 0.000 1.055 179 K HN 0.730 nan 8.250 nan 0.000 0.477 180 T N 1.316 115.641 114.554 -0.381 0.000 2.816 180 T HA 0.164 4.513 4.350 -0.002 0.000 0.282 180 T C 0.890 175.578 174.700 -0.020 0.000 0.993 180 T CA -0.598 61.423 62.100 -0.130 0.000 0.994 180 T CB 0.458 69.414 68.868 0.147 0.000 1.025 180 T HN 0.513 nan 8.240 nan 0.000 0.529 181 F N 1.035 120.967 119.950 -0.031 0.000 2.325 181 F HA 0.363 4.889 4.527 -0.002 0.000 0.299 181 F C 1.139 176.860 175.800 -0.131 0.000 1.090 181 F CA 1.239 59.162 58.000 -0.128 0.000 1.392 181 F CB -0.547 38.328 39.000 -0.209 0.000 1.053 181 F HN 1.187 nan 8.300 nan 0.000 0.521 182 G N -1.062 107.742 108.800 0.008 0.000 2.356 182 G HA2 0.297 4.256 3.960 -0.002 0.000 0.288 182 G HA3 0.297 4.256 3.960 -0.002 0.000 0.288 182 G C -1.981 173.275 174.900 0.593 0.000 1.302 182 G CA -0.445 44.697 45.100 0.070 0.000 0.887 182 G HN 0.353 nan 8.290 nan 0.000 0.521 183 F N -0.448 119.744 119.950 0.403 0.000 2.725 183 F HA 0.651 5.177 4.527 -0.002 0.000 0.309 183 F C -0.200 175.828 175.800 0.381 0.000 1.132 183 F CA 0.368 58.678 58.000 0.517 0.000 0.957 183 F CB 1.780 41.030 39.000 0.417 0.000 1.286 183 F HN 1.296 nan 8.300 nan 0.000 0.440 184 G N 3.123 111.722 108.800 -0.335 0.000 2.638 184 G HA2 0.612 4.571 3.960 -0.002 0.000 0.302 184 G HA3 0.612 4.571 3.960 -0.002 0.000 0.302 184 G C -2.055 172.519 174.900 -0.543 0.000 1.365 184 G CA -0.588 44.429 45.100 -0.138 0.000 0.987 184 G HN 0.454 nan 8.290 nan 0.000 0.495 185 F N -0.048 119.854 119.950 -0.080 0.000 2.410 185 F HA 0.728 5.254 4.527 -0.002 0.000 0.324 185 F C 1.337 177.106 175.800 -0.051 0.000 1.093 185 F CA 0.261 58.250 58.000 -0.019 0.000 1.028 185 F CB 2.132 41.151 39.000 0.032 0.000 1.309 185 F HN 0.830 nan 8.300 nan 0.000 0.499 186 G N 0.184 109.152 108.800 0.280 0.000 2.559 186 G HA2 -0.125 3.834 3.960 -0.002 0.000 0.202 186 G HA3 -0.125 3.834 3.960 -0.002 0.000 0.202 186 G C -0.182 174.844 174.900 0.210 0.000 0.992 186 G CA -0.900 44.329 45.100 0.216 0.000 0.764 186 G HN 0.481 nan 8.290 nan 0.000 0.525 187 R N 1.125 121.721 120.500 0.159 0.000 2.242 187 R HA 0.472 4.811 4.340 -0.002 0.000 0.334 187 R C 0.047 176.326 176.300 -0.035 0.000 1.071 187 R CA -0.285 55.829 56.100 0.023 0.000 0.922 187 R CB 1.609 31.876 30.300 -0.054 0.000 1.023 187 R HN 0.072 nan 8.270 nan 0.000 0.458 188 V N 3.876 123.765 119.914 -0.042 0.000 2.530 188 V HA 0.003 4.122 4.120 -0.002 0.000 0.282 188 V C 0.564 176.569 176.094 -0.149 0.000 1.048 188 V CA -0.331 61.877 62.300 -0.153 0.000 0.997 188 V CB 1.027 32.883 31.823 0.054 0.000 0.987 188 V HN 0.635 nan 8.190 nan 0.000 0.477 189 D N 3.716 123.980 120.400 -0.226 0.000 2.399 189 D HA 0.236 4.875 4.640 -0.002 0.000 0.241 189 D C 0.064 176.140 176.300 -0.373 0.000 1.133 189 D CA 0.259 54.078 54.000 -0.302 0.000 0.890 189 D CB 0.955 41.514 40.800 -0.403 0.000 1.201 189 D HN 0.581 nan 8.370 nan 0.000 0.432 190 Q N 0.631 120.160 119.800 -0.450 0.000 2.297 190 Q HA 0.340 4.679 4.340 -0.002 0.000 0.268 190 Q C -0.067 175.571 176.000 -0.604 0.000 1.045 190 Q CA -0.731 54.864 55.803 -0.347 0.000 0.861 190 Q CB 1.745 30.456 28.738 -0.046 0.000 1.344 190 Q HN 0.533 nan 8.270 nan 0.000 0.452 191 W N -0.079 121.318 121.300 0.161 0.000 3.005 191 W HA 0.301 4.960 4.660 -0.002 0.000 0.374 191 W C 0.245 176.620 176.519 -0.240 0.000 1.076 191 W CA -0.157 57.242 57.345 0.089 0.000 1.794 191 W CB 1.095 30.587 29.460 0.054 0.000 1.113 191 W HN 0.441 nan 8.180 nan 0.000 0.584 192 E N 0.787 120.886 120.200 -0.168 0.000 2.308 192 E HA 0.266 4.615 4.350 -0.002 0.000 0.275 192 E C -2.632 173.802 176.600 -0.276 0.000 0.890 192 E CA -2.460 53.756 56.400 -0.305 0.000 0.754 192 E CB 2.386 32.042 29.700 -0.074 0.000 1.207 192 E HN -0.372 nan 8.360 nan 0.000 0.426 193 P HA 0.036 nan 4.420 nan 0.000 0.268 193 P C -1.114 176.196 177.300 0.017 0.000 1.205 193 P CA -0.000 63.061 63.100 -0.065 0.000 0.771 193 P CB 0.469 32.141 31.700 -0.047 0.000 0.858 194 D N 2.414 122.860 120.400 0.076 0.000 2.348 194 D HA 0.034 4.673 4.640 -0.002 0.000 0.253 194 D C 0.532 176.885 176.300 0.089 0.000 1.161 194 D CA 0.064 54.105 54.000 0.069 0.000 0.876 194 D CB 0.600 41.443 40.800 0.071 0.000 1.160 194 D HN 0.466 nan 8.370 nan 0.000 0.459 195 E N 0.761 120.995 120.200 0.058 0.000 2.152 195 E HA 0.374 4.723 4.350 -0.002 0.000 0.285 195 E C -0.686 175.915 176.600 0.001 0.000 1.043 195 E CA -0.617 55.822 56.400 0.065 0.000 0.839 195 E CB 1.024 30.753 29.700 0.048 0.000 1.069 195 E HN -0.004 nan 8.360 nan 0.000 0.399 196 V N 3.310 123.195 119.914 -0.048 0.000 2.914 196 V HA 0.176 4.295 4.120 -0.002 0.000 0.314 196 V C -1.005 174.803 176.094 -0.477 0.000 1.084 196 V CA -1.205 60.871 62.300 -0.372 0.000 0.963 196 V CB 1.630 32.950 31.823 -0.838 0.000 1.025 196 V HN 0.702 nan 8.190 nan 0.000 0.432 197 Y N 1.631 121.617 120.300 -0.524 0.000 2.404 197 Y HA 0.338 4.887 4.550 -0.002 0.000 0.344 197 Y C -0.042 175.609 175.900 -0.415 0.000 0.995 197 Y CA -0.735 57.172 58.100 -0.323 0.000 1.201 197 Y CB 0.883 39.227 38.460 -0.193 0.000 1.151 197 Y HN 0.750 nan 8.280 nan 0.000 0.517 198 W N 4.058 125.099 121.300 -0.433 0.000 3.008 198 W HA 0.551 5.210 4.660 -0.002 0.000 0.355 198 W C 0.470 176.658 176.519 -0.551 0.000 1.095 198 W CA 0.261 57.423 57.345 -0.306 0.000 1.738 198 W CB 0.676 30.176 29.460 0.067 0.000 1.091 198 W HN 0.974 nan 8.180 nan 0.000 0.574 199 G N 1.062 109.282 108.800 -0.967 0.000 2.317 199 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.445 199 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.445 199 G C 0.217 174.879 174.900 -0.396 0.000 1.486 199 G CA -0.454 44.255 45.100 -0.651 0.000 0.991 199 G HN 0.079 nan 8.290 nan 0.000 0.660 200 K N -0.481 119.873 120.400 -0.077 0.000 2.418 200 K HA 0.164 4.483 4.320 -0.002 0.000 0.195 200 K C 0.289 176.865 176.600 -0.040 0.000 1.035 200 K CA 0.618 56.933 56.287 0.047 0.000 1.003 200 K CB 0.269 32.830 32.500 0.101 0.000 0.793 200 K HN 0.383 nan 8.250 nan 0.000 0.494 201 E N 1.264 121.409 120.200 -0.092 0.000 2.366 201 E HA 0.047 4.396 4.350 -0.002 0.000 0.266 201 E C 0.136 176.623 176.600 -0.188 0.000 1.015 201 E CA 0.159 56.487 56.400 -0.119 0.000 0.906 201 E CB 1.248 30.877 29.700 -0.120 0.000 0.979 201 E HN 0.371 nan 8.360 nan 0.000 0.443 202 A N 3.544 126.262 122.820 -0.170 0.000 2.337 202 A HA 0.136 4.455 4.320 -0.002 0.000 0.227 202 A C 0.100 177.513 177.584 -0.286 0.000 1.259 202 A CA -0.062 51.843 52.037 -0.219 0.000 0.870 202 A CB 0.118 19.036 19.000 -0.137 0.000 0.927 202 A HN 0.464 nan 8.150 nan 0.000 0.497 203 T N -1.003 113.382 114.554 -0.282 0.000 2.886 203 T HA 0.377 4.726 4.350 -0.002 0.000 0.292 203 T C -0.668 173.878 174.700 -0.257 0.000 1.012 203 T CA -0.464 61.488 62.100 -0.245 0.000 0.982 203 T CB 0.755 69.565 68.868 -0.096 0.000 1.018 203 T HN 0.400 nan 8.240 nan 0.000 0.451 204 W N 3.250 124.521 121.300 -0.049 0.000 2.223 204 W HA 0.351 5.010 4.660 -0.002 0.000 0.334 204 W C 1.052 177.523 176.519 -0.079 0.000 1.334 204 W CA -0.326 56.970 57.345 -0.083 0.000 1.246 204 W CB 0.023 29.455 29.460 -0.048 0.000 1.184 204 W HN 0.707 nan 8.180 nan 0.000 0.563 205 L N 1.763 123.093 121.223 0.177 0.000 5.081 205 L HA -0.231 4.108 4.340 -0.002 0.000 0.423 205 L C 1.345 178.235 176.870 0.033 0.000 1.019 205 L CA 0.653 55.535 54.840 0.069 0.000 1.223 205 L CB -2.075 40.034 42.059 0.083 0.000 1.940 205 L HN 0.736 nan 8.230 nan 0.000 0.675 206 G N 0.065 108.869 108.800 0.007 0.000 2.690 206 G HA2 0.297 4.256 3.960 -0.002 0.000 0.239 206 G HA3 0.297 4.256 3.960 -0.002 0.000 0.239 206 G C -0.382 174.519 174.900 0.003 0.000 1.233 206 G CA 0.767 45.863 45.100 -0.006 0.000 0.847 206 G HN 0.245 nan 8.290 nan 0.000 0.588 207 D N -0.810 119.604 120.400 0.024 0.000 2.479 207 D HA 0.269 4.908 4.640 -0.002 0.000 0.246 207 D C -0.201 176.135 176.300 0.061 0.000 1.336 207 D CA -0.530 53.506 54.000 0.060 0.000 0.967 207 D CB 1.024 41.889 40.800 0.109 0.000 1.275 207 D HN 0.390 nan 8.370 nan 0.000 0.577 208 E N 2.598 122.823 120.200 0.041 0.000 3.254 208 E HA 0.130 4.479 4.350 -0.002 0.000 0.184 208 E C 0.661 177.271 176.600 0.017 0.000 0.967 208 E CA 0.007 56.427 56.400 0.034 0.000 1.311 208 E CB 0.837 30.543 29.700 0.010 0.000 1.071 208 E HN 0.424 nan 8.360 nan 0.000 0.456 209 R N -0.415 120.089 120.500 0.006 0.000 2.472 209 R HA 0.232 4.571 4.340 -0.002 0.000 0.279 209 R C -0.322 175.820 176.300 -0.263 0.000 0.953 209 R CA -0.178 55.846 56.100 -0.127 0.000 1.088 209 R CB 0.140 30.314 30.300 -0.210 0.000 1.197 209 R HN -0.044 nan 8.270 nan 0.000 0.536 210 Y N 1.153 121.461 120.300 0.014 0.000 2.429 210 Y HA 0.436 4.985 4.550 -0.002 0.000 0.342 210 Y C 0.058 175.965 175.900 0.012 0.000 1.004 210 Y CA -0.639 57.470 58.100 0.015 0.000 1.075 210 Y CB 2.342 40.814 38.460 0.020 0.000 1.214 210 Y HN 0.120 nan 8.280 nan 0.000 0.455 211 S N 1.208 117.011 115.700 0.173 0.000 2.549 211 S HA 0.839 5.308 4.470 -0.002 0.000 0.280 211 S C 0.087 174.745 174.600 0.097 0.000 1.109 211 S CA -0.167 58.093 58.200 0.101 0.000 0.905 211 S CB 1.673 64.903 63.200 0.050 0.000 1.081 211 S HN 1.493 nan 8.310 nan 0.000 0.477 212 G N 2.770 111.611 108.800 0.068 0.000 2.556 212 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.283 212 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.283 212 G C -0.592 174.342 174.900 0.056 0.000 1.177 212 G CA 0.217 45.349 45.100 0.053 0.000 0.978 212 G HN 0.967 nan 8.290 nan 0.000 0.554 213 K N 1.096 121.528 120.400 0.054 0.000 2.229 213 K HA 0.515 4.834 4.320 -0.002 0.000 0.247 213 K C 0.662 177.304 176.600 0.069 0.000 1.117 213 K CA -0.341 55.972 56.287 0.044 0.000 1.036 213 K CB 0.771 33.290 32.500 0.031 0.000 1.654 213 K HN 0.562 nan 8.250 nan 0.000 0.405 214 R N 1.838 122.388 120.500 0.082 0.000 3.416 214 R HA -0.170 4.169 4.340 -0.002 0.000 0.263 214 R C -1.271 175.220 176.300 0.319 0.000 1.053 214 R CA 0.488 56.676 56.100 0.147 0.000 0.705 214 R CB -1.710 28.608 30.300 0.030 0.000 1.124 214 R HN 0.583 nan 8.270 nan 0.000 0.444 215 D N 0.531 121.098 120.400 0.279 0.000 2.313 215 D HA 0.162 4.801 4.640 -0.002 0.000 0.239 215 D C 0.124 176.469 176.300 0.075 0.000 1.142 215 D CA -0.472 53.622 54.000 0.157 0.000 0.847 215 D CB 0.932 41.780 40.800 0.080 0.000 1.082 215 D HN 0.016 nan 8.370 nan 0.000 0.480 216 L N 2.965 124.149 121.223 -0.063 0.000 2.305 216 L HA 0.143 4.482 4.340 -0.002 0.000 0.281 216 L C 0.496 177.225 176.870 -0.235 0.000 1.085 216 L CA -0.514 54.093 54.840 -0.387 0.000 0.813 216 L CB 0.759 42.628 42.059 -0.316 0.000 1.157 216 L HN 0.322 nan 8.230 nan 0.000 0.436 217 E N 2.978 123.027 120.200 -0.253 0.000 2.376 217 E HA 0.090 4.439 4.350 -0.002 0.000 0.266 217 E C -0.700 175.808 176.600 -0.152 0.000 1.009 217 E CA -0.153 56.156 56.400 -0.152 0.000 0.902 217 E CB 0.173 29.814 29.700 -0.099 0.000 0.972 217 E HN 0.666 nan 8.360 nan 0.000 0.439 218 N N 3.429 122.012 118.700 -0.194 0.000 2.467 218 N HA 0.132 4.871 4.740 -0.002 0.000 0.262 218 N C -1.905 173.503 175.510 -0.170 0.000 1.234 218 N CA -1.347 51.513 53.050 -0.316 0.000 0.952 218 N CB 0.747 38.809 38.487 -0.707 0.000 1.158 218 N HN 0.546 nan 8.380 nan 0.000 0.463 219 P HA 0.144 nan 4.420 nan 0.000 0.241 219 P C -0.811 176.468 177.300 -0.036 0.000 1.783 219 P CA 0.068 63.097 63.100 -0.117 0.000 1.052 219 P CB 0.128 31.903 31.700 0.125 0.000 1.594 220 L N 0.257 121.455 121.223 -0.041 0.000 2.417 220 L HA 0.424 4.763 4.340 -0.002 0.000 0.268 220 L C 1.300 178.172 176.870 0.004 0.000 1.158 220 L CA -0.372 54.461 54.840 -0.012 0.000 0.819 220 L CB 0.641 42.671 42.059 -0.049 0.000 1.112 220 L HN -0.011 nan 8.230 nan 0.000 0.458 221 A N 1.771 124.632 122.820 0.068 0.000 2.609 221 A HA 0.685 5.004 4.320 -0.002 0.000 0.286 221 A C 0.276 177.960 177.584 0.167 0.000 1.138 221 A CA 0.188 52.293 52.037 0.113 0.000 0.960 221 A CB 0.320 19.398 19.000 0.130 0.000 1.208 221 A HN 0.710 nan 8.150 nan 0.000 0.541 222 A N -0.688 122.197 122.820 0.108 0.000 2.423 222 A HA 0.637 4.956 4.320 -0.002 0.000 0.304 222 A C 0.904 178.548 177.584 0.101 0.000 1.104 222 A CA 0.219 52.319 52.037 0.105 0.000 0.757 222 A CB 0.894 19.895 19.000 0.001 0.000 1.313 222 A HN 1.076 nan 8.150 nan 0.000 0.423 223 V N -2.174 117.839 119.914 0.165 0.000 3.052 223 V HA 0.218 4.337 4.120 -0.002 0.000 0.254 223 V C 0.456 176.673 176.094 0.204 0.000 1.100 223 V CA 1.138 63.603 62.300 0.276 0.000 1.112 223 V CB -0.930 31.083 31.823 0.316 0.000 0.738 223 V HN 0.733 nan 8.190 nan 0.000 0.469 224 Q N -0.308 119.537 119.800 0.075 0.000 2.495 224 Q HA 0.606 4.945 4.340 -0.002 0.000 0.287 224 Q C -1.072 174.871 176.000 -0.095 0.000 1.078 224 Q CA -1.110 54.705 55.803 0.019 0.000 0.793 224 Q CB 2.346 31.104 28.738 0.033 0.000 1.459 224 Q HN 0.330 nan 8.270 nan 0.000 0.422 225 M N 0.922 120.454 119.600 -0.113 0.000 2.194 225 M HA 0.389 4.868 4.480 -0.002 0.000 0.347 225 M C 0.546 176.679 176.300 -0.278 0.000 1.439 225 M CA 1.278 56.451 55.300 -0.212 0.000 1.131 225 M CB -0.406 32.091 32.600 -0.173 0.000 1.733 225 M HN 0.791 nan 8.290 nan 0.000 0.467 226 G N 3.866 112.195 108.800 -0.785 0.000 2.179 226 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.220 226 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.220 226 G C -0.300 174.103 174.900 -0.829 0.000 0.990 226 G CA 0.008 44.419 45.100 -1.148 0.000 0.646 226 G HN 0.691 nan 8.290 nan 0.000 0.517 227 L N 0.830 121.698 121.223 -0.591 0.000 2.352 227 L HA 0.570 4.909 4.340 -0.002 0.000 0.269 227 L C 1.328 178.032 176.870 -0.276 0.000 1.034 227 L CA -1.198 53.468 54.840 -0.291 0.000 0.806 227 L CB 1.205 43.197 42.059 -0.112 0.000 1.244 227 L HN -0.093 nan 8.230 nan 0.000 0.447 228 I N 0.755 121.169 120.570 -0.261 0.000 3.914 228 I HA 0.131 4.300 4.170 -0.002 0.000 0.333 228 I C 0.038 175.855 176.117 -0.500 0.000 1.449 228 I CA 0.745 61.721 61.300 -0.540 0.000 1.135 228 I CB -0.624 36.852 38.000 -0.874 0.000 1.073 228 I HN 0.743 nan 8.210 nan 0.000 0.401 229 Y N -0.556 119.781 120.300 0.062 0.000 2.441 229 Y HA 0.016 4.565 4.550 -0.002 0.000 0.093 229 Y C 0.306 176.303 175.900 0.162 0.000 1.003 229 Y CA -0.554 57.617 58.100 0.119 0.000 1.794 229 Y CB 0.335 38.917 38.460 0.203 0.000 1.124 229 Y HN -0.174 nan 8.280 nan 0.000 0.189 230 V N -0.345 119.816 119.914 0.412 0.000 3.126 230 V HA 0.598 4.717 4.120 -0.002 0.000 0.314 230 V C -0.744 175.502 176.094 0.253 0.000 1.138 230 V CA -0.965 61.521 62.300 0.310 0.000 1.034 230 V CB 1.838 33.858 31.823 0.328 0.000 1.075 230 V HN 0.366 nan 8.190 nan 0.000 0.442 231 N N 2.890 121.712 118.700 0.203 0.000 2.422 231 N HA 0.369 5.108 4.740 -0.002 0.000 0.264 231 N C -1.447 174.185 175.510 0.204 0.000 1.063 231 N CA -1.854 51.303 53.050 0.178 0.000 0.959 231 N CB 1.752 40.325 38.487 0.142 0.000 1.087 231 N HN 0.627 nan 8.380 nan 0.000 0.483 232 P HA -0.111 nan 4.420 nan 0.000 0.223 232 P C -0.078 177.358 177.300 0.227 0.000 1.144 232 P CA 1.308 64.556 63.100 0.246 0.000 0.783 232 P CB 0.415 32.268 31.700 0.254 0.000 0.771 233 E N -0.327 119.999 120.200 0.210 0.000 2.465 233 E HA 0.365 4.714 4.350 -0.002 0.000 0.195 233 E C 0.752 177.465 176.600 0.188 0.000 1.028 233 E CA -0.101 56.440 56.400 0.235 0.000 0.899 233 E CB 0.128 29.996 29.700 0.281 0.000 1.032 233 E HN 0.205 nan 8.360 nan 0.000 0.468 234 G N 2.270 111.165 108.800 0.159 0.000 2.707 234 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.686 234 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.686 234 G C -2.881 172.073 174.900 0.091 0.000 1.315 234 G CA -1.369 43.798 45.100 0.112 0.000 0.832 234 G HN -0.120 nan 8.290 nan 0.000 0.573 235 P HA 0.105 nan 4.420 nan 0.000 0.256 235 P C 0.503 177.814 177.300 0.019 0.000 1.173 235 P CA 0.836 63.946 63.100 0.015 0.000 0.768 235 P CB 0.033 31.713 31.700 -0.033 0.000 0.758 236 N N 3.105 121.824 118.700 0.032 0.000 2.693 236 N HA -0.230 4.509 4.740 -0.002 0.000 0.249 236 N C 0.955 176.511 175.510 0.077 0.000 1.119 236 N CA 1.715 54.792 53.050 0.045 0.000 0.717 236 N CB -1.667 36.829 38.487 0.015 0.000 1.071 236 N HN 0.811 nan 8.380 nan 0.000 0.555 237 G N 0.017 108.881 108.800 0.106 0.000 2.157 237 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.239 237 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.239 237 G C -0.173 174.829 174.900 0.169 0.000 0.982 237 G CA 0.316 45.518 45.100 0.169 0.000 0.650 237 G HN 0.678 nan 8.290 nan 0.000 0.527 238 N N 1.357 120.099 118.700 0.070 0.000 2.469 238 N HA 0.451 5.190 4.740 -0.002 0.000 0.239 238 N C -1.430 174.049 175.510 -0.052 0.000 1.053 238 N CA -1.727 51.313 53.050 -0.017 0.000 0.937 238 N CB 1.168 39.644 38.487 -0.019 0.000 1.163 238 N HN 0.028 nan 8.380 nan 0.000 0.509 239 P HA -0.079 nan 4.420 nan 0.000 0.301 239 P C -0.828 176.462 177.300 -0.018 0.000 1.560 239 P CA 0.322 63.349 63.100 -0.121 0.000 0.784 239 P CB -0.251 31.187 31.700 -0.437 0.000 1.715 240 D N 1.306 121.695 120.400 -0.019 0.000 2.365 240 D HA 0.116 4.755 4.640 -0.002 0.000 0.237 240 D C -1.533 174.778 176.300 0.018 0.000 1.190 240 D CA -2.208 51.790 54.000 -0.003 0.000 0.867 240 D CB 1.296 42.084 40.800 -0.021 0.000 1.050 240 D HN 0.011 nan 8.370 nan 0.000 0.491 241 P HA -0.148 nan 4.420 nan 0.000 0.216 241 P C 1.429 178.726 177.300 -0.005 0.000 1.150 241 P CA 0.875 63.963 63.100 -0.020 0.000 0.837 241 P CB 0.152 31.787 31.700 -0.110 0.000 0.786 242 M N -0.400 119.193 119.600 -0.011 0.000 2.159 242 M HA -0.055 4.424 4.480 -0.002 0.000 0.263 242 M C 1.854 178.152 176.300 -0.003 0.000 1.063 242 M CA 1.687 56.980 55.300 -0.010 0.000 1.110 242 M CB -1.238 31.352 32.600 -0.017 0.000 1.374 242 M HN -0.154 nan 8.290 nan 0.000 0.411 243 A N -0.379 122.441 122.820 0.000 0.000 1.872 243 A HA 0.146 4.465 4.320 -0.002 0.000 0.214 243 A C 2.387 179.985 177.584 0.025 0.000 1.187 243 A CA 1.790 53.828 52.037 0.001 0.000 0.614 243 A CB -1.490 17.505 19.000 -0.009 0.000 0.826 243 A HN 0.596 nan 8.150 nan 0.000 0.442 244 A N 0.216 123.062 122.820 0.042 0.000 1.903 244 A HA -0.018 4.301 4.320 -0.002 0.000 0.219 244 A C 2.525 180.170 177.584 0.102 0.000 1.191 244 A CA 2.717 54.801 52.037 0.078 0.000 0.638 244 A CB -1.263 17.790 19.000 0.089 0.000 0.823 244 A HN 1.263 nan 8.150 nan 0.000 0.451 245 A N -0.743 122.134 122.820 0.096 0.000 1.986 245 A HA -0.071 4.248 4.320 -0.002 0.000 0.220 245 A C 2.216 179.858 177.584 0.097 0.000 1.171 245 A CA 2.046 54.170 52.037 0.144 0.000 0.640 245 A CB -0.993 18.064 19.000 0.096 0.000 0.811 245 A HN 0.528 nan 8.150 nan 0.000 0.451 246 V N 0.353 120.298 119.914 0.052 0.000 2.343 246 V HA -0.232 3.887 4.120 -0.002 0.000 0.247 246 V C 2.136 178.290 176.094 0.100 0.000 1.051 246 V CA 2.229 64.556 62.300 0.044 0.000 1.036 246 V CB -0.775 31.062 31.823 0.023 0.000 0.654 246 V HN 0.492 nan 8.190 nan 0.000 0.451 247 D N 0.063 120.535 120.400 0.121 0.000 2.123 247 D HA -0.060 4.579 4.640 -0.002 0.000 0.200 247 D C 2.139 178.582 176.300 0.239 0.000 0.976 247 D CA 1.168 55.276 54.000 0.180 0.000 0.831 247 D CB -0.182 40.719 40.800 0.170 0.000 0.974 247 D HN 0.369 nan 8.370 nan 0.000 0.469 248 I N 0.743 121.455 120.570 0.237 0.000 2.163 248 I HA -0.285 3.884 4.170 -0.002 0.000 0.243 248 I C 2.622 178.919 176.117 0.299 0.000 1.085 248 I CA 1.066 62.537 61.300 0.284 0.000 1.347 248 I CB -0.225 37.862 38.000 0.146 0.000 1.044 248 I HN -0.051 nan 8.210 nan 0.000 0.408 249 R N 0.871 121.515 120.500 0.241 0.000 2.096 249 R HA -0.246 4.093 4.340 -0.002 0.000 0.235 249 R C 2.218 178.640 176.300 0.203 0.000 1.127 249 R CA 1.847 58.073 56.100 0.210 0.000 0.968 249 R CB -0.094 30.250 30.300 0.072 0.000 0.861 249 R HN 0.222 nan 8.270 nan 0.000 0.440 250 E N -0.067 120.248 120.200 0.192 0.000 2.046 250 E HA -0.116 4.233 4.350 -0.002 0.000 0.190 250 E C 1.866 178.583 176.600 0.196 0.000 0.982 250 E CA 2.215 58.720 56.400 0.176 0.000 0.800 250 E CB -0.289 29.514 29.700 0.171 0.000 0.756 250 E HN 0.479 nan 8.360 nan 0.000 0.449 251 T N -1.625 113.073 114.554 0.240 0.000 2.746 251 T HA -0.129 4.220 4.350 -0.002 0.000 0.267 251 T C 1.877 176.638 174.700 0.103 0.000 1.039 251 T CA 1.197 63.427 62.100 0.216 0.000 1.142 251 T CB -0.729 68.324 68.868 0.307 0.000 0.866 251 T HN 0.093 nan 8.240 nan 0.000 0.444 252 F N 1.653 121.577 119.950 -0.044 0.000 2.216 252 F HA 0.207 4.733 4.527 -0.002 0.000 0.300 252 F C 2.892 178.702 175.800 0.016 0.000 1.085 252 F CA 0.721 58.649 58.000 -0.120 0.000 1.326 252 F CB -0.387 38.530 39.000 -0.140 0.000 1.027 252 F HN 0.058 nan 8.300 nan 0.000 0.497 253 R N 0.538 121.170 120.500 0.219 0.000 2.096 253 R HA -0.101 4.238 4.340 -0.002 0.000 0.235 253 R C 1.882 178.259 176.300 0.127 0.000 1.127 253 R CA 1.139 57.335 56.100 0.161 0.000 0.968 253 R CB -0.114 30.269 30.300 0.138 0.000 0.861 253 R HN 0.195 nan 8.270 nan 0.000 0.440 254 R N -0.376 120.192 120.500 0.113 0.000 2.328 254 R HA 0.043 4.382 4.340 -0.002 0.000 0.200 254 R C 0.739 177.084 176.300 0.074 0.000 0.983 254 R CA 0.451 56.600 56.100 0.081 0.000 1.062 254 R CB 0.224 30.566 30.300 0.070 0.000 0.956 254 R HN 0.281 nan 8.270 nan 0.000 0.479 255 M N -0.492 119.180 119.600 0.120 0.000 2.705 255 M HA 0.265 4.744 4.480 -0.002 0.000 0.387 255 M C 0.177 176.610 176.300 0.222 0.000 1.204 255 M CA -0.235 55.187 55.300 0.203 0.000 0.905 255 M CB 1.397 34.115 32.600 0.196 0.000 1.394 255 M HN 0.113 nan 8.290 nan 0.000 0.515 256 A N 0.505 123.434 122.820 0.181 0.000 2.847 256 A HA -0.171 4.148 4.320 -0.002 0.000 0.263 256 A C 0.074 177.710 177.584 0.086 0.000 1.391 256 A CA 1.082 53.199 52.037 0.134 0.000 0.866 256 A CB -1.365 17.710 19.000 0.125 0.000 1.057 256 A HN 0.513 nan 8.150 nan 0.000 0.673 257 M N 0.383 120.064 119.600 0.134 0.000 2.364 257 M HA 0.432 4.911 4.480 -0.002 0.000 0.334 257 M C 0.353 176.752 176.300 0.166 0.000 1.107 257 M CA -0.739 54.655 55.300 0.155 0.000 0.988 257 M CB 1.328 34.093 32.600 0.274 0.000 1.673 257 M HN 0.667 nan 8.290 nan 0.000 0.441 258 N N 0.908 119.688 118.700 0.132 0.000 2.538 258 N HA 0.293 5.032 4.740 -0.002 0.000 0.292 258 N C 0.199 175.787 175.510 0.131 0.000 1.262 258 N CA -0.454 52.672 53.050 0.126 0.000 0.976 258 N CB 0.544 39.096 38.487 0.108 0.000 1.161 258 N HN 0.415 nan 8.380 nan 0.000 0.598 259 D N -0.622 119.860 120.400 0.138 0.000 2.104 259 D HA -0.126 4.513 4.640 -0.002 0.000 0.194 259 D C 1.783 178.180 176.300 0.161 0.000 0.994 259 D CA 1.286 55.411 54.000 0.209 0.000 0.830 259 D CB -0.288 40.596 40.800 0.140 0.000 0.959 259 D HN 0.286 nan 8.370 nan 0.000 0.452 260 V N 1.516 121.506 119.914 0.125 0.000 2.295 260 V HA -0.223 3.896 4.120 -0.002 0.000 0.246 260 V C 2.337 178.574 176.094 0.240 0.000 1.049 260 V CA 1.685 64.081 62.300 0.160 0.000 1.024 260 V CB -0.509 31.417 31.823 0.172 0.000 0.648 260 V HN 0.186 nan 8.190 nan 0.000 0.447 261 E N -0.087 120.215 120.200 0.170 0.000 2.051 261 E HA -0.190 4.159 4.350 -0.002 0.000 0.192 261 E C 2.302 178.950 176.600 0.081 0.000 0.991 261 E CA 1.790 58.280 56.400 0.150 0.000 0.799 261 E CB -0.378 29.392 29.700 0.116 0.000 0.748 261 E HN 0.537 nan 8.360 nan 0.000 0.449 262 T N 0.948 115.492 114.554 -0.017 0.000 2.720 262 T HA -0.184 4.165 4.350 -0.002 0.000 0.268 262 T C 1.986 176.418 174.700 -0.447 0.000 1.037 262 T CA 1.341 63.233 62.100 -0.346 0.000 1.144 262 T CB -0.241 68.332 68.868 -0.493 0.000 0.864 262 T HN 0.274 nan 8.240 nan 0.000 0.444 263 A N 1.348 124.005 122.820 -0.273 0.000 1.873 263 A HA 0.178 4.497 4.320 -0.002 0.000 0.215 263 A C 2.649 180.256 177.584 0.038 0.000 1.186 263 A CA 1.852 53.758 52.037 -0.218 0.000 0.616 263 A CB -1.166 17.777 19.000 -0.096 0.000 0.823 263 A HN 0.501 nan 8.150 nan 0.000 0.442 264 A N -0.142 122.826 122.820 0.246 0.000 1.865 264 A HA -0.099 4.220 4.320 -0.002 0.000 0.217 264 A C 2.202 179.727 177.584 -0.099 0.000 1.191 264 A CA 1.577 53.617 52.037 0.005 0.000 0.623 264 A CB -0.749 18.313 19.000 0.104 0.000 0.826 264 A HN 0.473 nan 8.150 nan 0.000 0.444 265 L N -0.525 120.719 121.223 0.034 0.000 1.990 265 L HA -0.260 4.079 4.340 -0.002 0.000 0.213 265 L C 2.597 179.264 176.870 -0.337 0.000 1.072 265 L CA 1.835 56.708 54.840 0.056 0.000 0.755 265 L CB -0.600 41.479 42.059 0.033 0.000 0.889 265 L HN 0.438 nan 8.230 nan 0.000 0.432 266 I N -1.151 119.109 120.570 -0.516 0.000 2.179 266 I HA -0.268 3.901 4.170 -0.002 0.000 0.242 266 I C 2.465 177.976 176.117 -1.010 0.000 1.088 266 I CA 1.119 61.952 61.300 -0.778 0.000 1.357 266 I CB -0.430 37.146 38.000 -0.706 0.000 1.051 266 I HN 0.036 nan 8.210 nan 0.000 0.409 267 V N 1.324 120.707 119.914 -0.886 0.000 2.295 267 V HA -0.229 3.890 4.120 -0.002 0.000 0.246 267 V C 2.671 178.080 176.094 -1.142 0.000 1.049 267 V CA 2.251 63.856 62.300 -1.158 0.000 1.024 267 V CB -1.609 29.861 31.823 -0.587 0.000 0.648 267 V HN 0.583 nan 8.190 nan 0.000 0.447 268 G N 0.172 108.295 108.800 -1.128 0.000 2.514 268 G HA2 -0.219 3.739 3.960 -0.002 0.000 0.217 268 G HA3 -0.219 3.739 3.960 -0.002 0.000 0.217 268 G C 1.635 176.002 174.900 -0.889 0.000 1.198 268 G CA 1.150 45.293 45.100 -1.594 0.000 0.780 268 G HN 0.599 nan 8.290 nan 0.000 0.565 269 G N -0.401 108.019 108.800 -0.635 0.000 2.421 269 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.216 269 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.216 269 G C 1.439 176.201 174.900 -0.230 0.000 1.171 269 G CA 0.820 45.775 45.100 -0.242 0.000 0.775 269 G HN 0.667 nan 8.290 nan 0.000 0.543 270 H N -0.099 118.477 119.070 -0.823 0.000 2.562 270 H HA 0.082 4.637 4.556 -0.002 0.000 0.274 270 H C 1.803 176.740 175.328 -0.653 0.000 1.038 270 H CA 0.219 55.563 56.048 -1.174 0.000 1.161 270 H CB 0.315 28.985 29.762 -1.820 0.000 1.318 270 H HN 0.238 nan 8.280 nan 0.000 0.617 271 T N 0.305 114.542 114.554 -0.528 0.000 3.113 271 T HA 0.029 4.378 4.350 -0.002 0.000 0.256 271 T C -0.186 174.082 174.700 -0.721 0.000 1.131 271 T CA 0.625 62.319 62.100 -0.676 0.000 1.074 271 T CB 0.073 68.272 68.868 -1.115 0.000 0.944 271 T HN 0.079 nan 8.240 nan 0.000 0.516 272 F N -0.219 119.684 119.950 -0.077 0.000 2.611 272 F HA 0.603 5.129 4.527 -0.002 0.000 0.324 272 F C 1.133 177.019 175.800 0.144 0.000 1.061 272 F CA -0.895 57.098 58.000 -0.011 0.000 0.954 272 F CB 0.798 39.772 39.000 -0.044 0.000 1.301 272 F HN 0.139 nan 8.300 nan 0.000 0.482 273 G N 1.601 110.582 108.800 0.301 0.000 2.633 273 G HA2 -0.043 3.916 3.960 -0.002 0.000 0.263 273 G HA3 -0.043 3.916 3.960 -0.002 0.000 0.263 273 G C -1.045 174.041 174.900 0.311 0.000 1.310 273 G CA 0.116 45.398 45.100 0.302 0.000 0.914 273 G HN 1.095 nan 8.290 nan 0.000 0.569 274 K N -2.332 118.193 120.400 0.208 0.000 2.507 274 K HA 0.768 5.087 4.320 -0.002 0.000 0.284 274 K C -0.123 176.328 176.600 -0.248 0.000 1.038 274 K CA -0.297 55.854 56.287 -0.226 0.000 0.903 274 K CB 1.197 33.563 32.500 -0.223 0.000 1.531 274 K HN 1.307 nan 8.250 nan 0.000 0.430 275 T N -1.549 112.713 114.554 -0.487 0.000 2.923 275 T HA 0.490 4.838 4.350 -0.002 0.000 0.281 275 T C -0.765 173.712 174.700 -0.370 0.000 0.995 275 T CA -0.527 61.449 62.100 -0.206 0.000 0.985 275 T CB 0.701 69.443 68.868 -0.210 0.000 1.114 275 T HN 0.632 nan 8.240 nan 0.000 0.548 276 H N -1.137 117.940 119.070 0.012 0.000 2.823 276 H HA 0.632 5.187 4.556 -0.002 0.000 0.332 276 H C 0.220 175.546 175.328 -0.002 0.000 0.980 276 H CA -0.578 55.484 56.048 0.023 0.000 1.286 276 H CB 1.612 31.428 29.762 0.091 0.000 1.541 276 H HN 1.101 nan 8.280 nan 0.000 0.521 277 G N 1.224 110.046 108.800 0.037 0.000 4.101 277 G HA2 0.431 4.390 3.960 -0.002 0.000 0.262 277 G HA3 0.431 4.390 3.960 -0.002 0.000 0.262 277 G C 0.527 175.380 174.900 -0.077 0.000 1.181 277 G CA 0.076 45.163 45.100 -0.023 0.000 0.640 277 G HN 0.727 nan 8.290 nan 0.000 0.467 278 A N -0.216 122.563 122.820 -0.069 0.000 2.123 278 A HA 0.688 5.006 4.320 -0.002 0.000 0.214 278 A C 1.371 178.710 177.584 -0.407 0.000 1.152 278 A CA 1.333 53.312 52.037 -0.097 0.000 0.728 278 A CB 0.225 19.280 19.000 0.092 0.000 0.814 278 A HN 1.293 nan 8.150 nan 0.000 0.464 279 G N -1.666 106.755 108.800 -0.631 0.000 2.827 279 G HA2 0.526 4.485 3.960 -0.002 0.000 0.296 279 G HA3 0.526 4.485 3.960 -0.002 0.000 0.296 279 G C -3.434 171.178 174.900 -0.479 0.000 1.362 279 G CA -1.301 43.191 45.100 -1.015 0.000 0.809 279 G HN -0.091 nan 8.290 nan 0.000 0.522 280 P HA 0.290 nan 4.420 nan 0.000 0.267 280 P C 0.678 177.917 177.300 -0.101 0.000 1.205 280 P CA 0.441 63.442 63.100 -0.165 0.000 0.765 280 P CB 1.433 33.073 31.700 -0.099 0.000 0.828 281 A N 4.390 127.173 122.820 -0.062 0.000 1.930 281 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 281 A C 1.763 179.360 177.584 0.022 0.000 1.175 281 A CA 1.783 53.813 52.037 -0.012 0.000 0.627 281 A CB -1.197 17.800 19.000 -0.005 0.000 0.815 281 A HN 0.630 nan 8.150 nan 0.000 0.443 282 D N 0.487 120.894 120.400 0.011 0.000 2.315 282 D HA -0.182 4.457 4.640 -0.002 0.000 0.211 282 D C 1.304 177.631 176.300 0.044 0.000 0.977 282 D CA 0.953 54.970 54.000 0.028 0.000 0.894 282 D CB -0.599 40.210 40.800 0.015 0.000 0.910 282 D HN 0.486 nan 8.370 nan 0.000 0.490 283 L N 0.301 121.553 121.223 0.048 0.000 2.612 283 L HA 0.147 4.486 4.340 -0.002 0.000 0.230 283 L C 0.123 177.055 176.870 0.104 0.000 1.140 283 L CA -0.231 54.656 54.840 0.079 0.000 0.896 283 L CB 0.543 42.666 42.059 0.106 0.000 1.065 283 L HN -0.143 nan 8.230 nan 0.000 0.447 284 V N 0.329 120.306 119.914 0.105 0.000 2.350 284 V HA 0.404 4.523 4.120 -0.002 0.000 0.276 284 V C 1.009 177.187 176.094 0.141 0.000 1.028 284 V CA -0.672 61.719 62.300 0.152 0.000 0.860 284 V CB 1.039 32.970 31.823 0.181 0.000 0.990 284 V HN 0.269 nan 8.190 nan 0.000 0.453 285 G N 6.680 115.553 108.800 0.121 0.000 2.712 285 G HA2 0.284 4.243 3.960 -0.002 0.000 0.258 285 G HA3 0.284 4.243 3.960 -0.002 0.000 0.258 285 G C -2.207 172.689 174.900 -0.007 0.000 1.241 285 G CA -0.719 44.414 45.100 0.054 0.000 0.923 285 G HN 0.589 nan 8.290 nan 0.000 0.548 286 P HA 0.065 nan 4.420 nan 0.000 0.268 286 P C 0.156 177.199 177.300 -0.429 0.000 1.208 286 P CA -0.040 62.958 63.100 -0.169 0.000 0.777 286 P CB 0.600 32.228 31.700 -0.120 0.000 0.875 287 E N 2.837 122.692 120.200 -0.575 0.000 2.392 287 E HA 0.068 4.417 4.350 -0.002 0.000 0.256 287 E C -2.004 174.132 176.600 -0.774 0.000 1.145 287 E CA -1.648 54.089 56.400 -1.106 0.000 0.929 287 E CB -0.957 28.275 29.700 -0.780 0.000 0.998 287 E HN 0.177 nan 8.360 nan 0.000 0.442 288 P HA -0.250 nan 4.420 nan 0.000 0.219 288 P C 1.020 178.145 177.300 -0.293 0.000 1.159 288 P CA 1.835 64.635 63.100 -0.499 0.000 0.944 288 P CB 0.123 31.556 31.700 -0.444 0.000 0.792 289 E N -1.417 118.645 120.200 -0.231 0.000 2.333 289 E HA -0.085 4.264 4.350 -0.002 0.000 0.198 289 E C 1.650 178.191 176.600 -0.099 0.000 1.007 289 E CA 1.253 57.581 56.400 -0.119 0.000 0.845 289 E CB -0.536 29.135 29.700 -0.048 0.000 0.766 289 E HN 0.259 nan 8.360 nan 0.000 0.507 290 A N 0.046 122.784 122.820 -0.136 0.000 2.431 290 A HA 0.502 4.821 4.320 -0.002 0.000 0.239 290 A C 1.014 178.529 177.584 -0.114 0.000 1.230 290 A CA 0.297 52.277 52.037 -0.096 0.000 0.928 290 A CB 0.318 19.279 19.000 -0.066 0.000 1.006 290 A HN 0.127 nan 8.150 nan 0.000 0.520 291 A N 0.814 123.540 122.820 -0.156 0.000 2.271 291 A HA 0.648 4.967 4.320 -0.002 0.000 0.288 291 A C -2.457 175.067 177.584 -0.099 0.000 1.094 291 A CA -1.338 50.617 52.037 -0.138 0.000 0.828 291 A CB -0.394 18.497 19.000 -0.182 0.000 1.091 291 A HN 0.208 nan 8.150 nan 0.000 0.493 292 P HA 0.151 nan 4.420 nan 0.000 0.269 292 P C 0.617 177.876 177.300 -0.068 0.000 1.215 292 P CA -0.464 62.599 63.100 -0.063 0.000 0.780 292 P CB 0.340 32.010 31.700 -0.049 0.000 0.898 293 L N 2.180 123.367 121.223 -0.060 0.000 2.043 293 L HA -0.218 4.121 4.340 -0.002 0.000 0.212 293 L C 2.217 179.047 176.870 -0.067 0.000 1.075 293 L CA 1.847 56.649 54.840 -0.063 0.000 0.752 293 L CB -1.297 40.731 42.059 -0.052 0.000 0.891 293 L HN 0.544 nan 8.230 nan 0.000 0.432 294 E N -0.542 119.623 120.200 -0.057 0.000 2.401 294 E HA -0.264 4.085 4.350 -0.002 0.000 0.199 294 E C 1.629 178.187 176.600 -0.070 0.000 1.023 294 E CA 0.971 57.337 56.400 -0.057 0.000 0.859 294 E CB -0.508 29.167 29.700 -0.042 0.000 0.780 294 E HN 0.631 nan 8.360 nan 0.000 0.523 295 Q N -0.069 119.684 119.800 -0.078 0.000 2.444 295 Q HA 0.123 4.462 4.340 -0.002 0.000 0.206 295 Q C 0.085 176.011 176.000 -0.124 0.000 0.948 295 Q CA -0.058 55.690 55.803 -0.091 0.000 0.946 295 Q CB -0.023 28.662 28.738 -0.089 0.000 1.027 295 Q HN 0.162 nan 8.270 nan 0.000 0.513 296 M N -0.404 119.123 119.600 -0.122 0.000 2.206 296 M HA -0.260 4.219 4.480 -0.002 0.000 0.197 296 M C 0.715 176.916 176.300 -0.164 0.000 0.375 296 M CA 1.396 56.610 55.300 -0.144 0.000 0.410 296 M CB -2.611 29.890 32.600 -0.165 0.000 1.204 296 M HN 0.568 nan 8.290 nan 0.000 0.932 297 G N -0.674 108.036 108.800 -0.150 0.000 2.157 297 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.248 297 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.248 297 G C -0.012 174.784 174.900 -0.173 0.000 0.979 297 G CA 0.320 45.323 45.100 -0.162 0.000 0.650 297 G HN 0.516 nan 8.290 nan 0.000 0.529 298 L N 0.159 121.285 121.223 -0.163 0.000 2.334 298 L HA 0.794 5.133 4.340 -0.002 0.000 0.276 298 L C 0.979 177.752 176.870 -0.161 0.000 1.014 298 L CA -0.384 54.373 54.840 -0.139 0.000 0.815 298 L CB 1.866 43.859 42.059 -0.110 0.000 1.268 298 L HN 0.226 nan 8.230 nan 0.000 0.428 299 G N -0.798 107.883 108.800 -0.199 0.000 3.251 299 G HA2 0.417 4.376 3.960 -0.002 0.000 0.248 299 G HA3 0.417 4.376 3.960 -0.002 0.000 0.248 299 G C -0.987 173.873 174.900 -0.066 0.000 1.320 299 G CA -0.447 44.446 45.100 -0.346 0.000 0.982 299 G HN 0.737 nan 8.290 nan 0.000 0.575 300 W N -0.123 121.154 121.300 -0.038 0.000 5.770 300 W HA -0.158 4.501 4.660 -0.002 0.000 0.389 300 W C 0.595 177.134 176.519 0.033 0.000 1.469 300 W CA 0.769 58.109 57.345 -0.010 0.000 0.975 300 W CB -1.148 28.298 29.460 -0.024 0.000 2.622 300 W HN 0.493 nan 8.180 nan 0.000 1.500 301 K N 1.654 122.149 120.400 0.158 0.000 2.363 301 K HA 0.243 4.561 4.320 -0.002 0.000 0.289 301 K C 0.631 177.328 176.600 0.160 0.000 1.063 301 K CA 0.257 56.635 56.287 0.152 0.000 0.967 301 K CB 0.650 33.199 32.500 0.081 0.000 0.987 301 K HN -0.012 nan 8.250 nan 0.000 0.473 302 S N 2.227 118.045 115.700 0.197 0.000 2.578 302 S HA 0.158 4.627 4.470 -0.002 0.000 0.283 302 S C 0.542 175.232 174.600 0.150 0.000 1.195 302 S CA -0.697 57.613 58.200 0.182 0.000 1.050 302 S CB 1.095 64.426 63.200 0.220 0.000 1.012 302 S HN 0.668 nan 8.310 nan 0.000 0.511 303 S N 3.341 119.124 115.700 0.138 0.000 2.568 303 S HA 0.181 4.650 4.470 -0.002 0.000 0.232 303 S C -0.264 174.410 174.600 0.123 0.000 0.975 303 S CA -0.413 57.850 58.200 0.105 0.000 0.949 303 S CB -0.345 62.903 63.200 0.080 0.000 0.829 303 S HN 0.725 nan 8.310 nan 0.000 0.479 304 Y N 3.189 123.507 120.300 0.030 0.000 2.404 304 Y HA 0.512 5.061 4.550 -0.002 0.000 0.344 304 Y C 1.211 177.110 175.900 -0.002 0.000 0.995 304 Y CA 0.341 58.448 58.100 0.012 0.000 1.201 304 Y CB 0.096 38.564 38.460 0.014 0.000 1.151 304 Y HN 0.404 nan 8.280 nan 0.000 0.517 305 G N 4.134 112.606 108.800 -0.548 0.000 2.672 305 G HA2 -0.462 3.497 3.960 -0.002 0.000 0.332 305 G HA3 -0.462 3.497 3.960 -0.002 0.000 0.332 305 G C 0.951 175.728 174.900 -0.205 0.000 1.213 305 G CA 1.340 46.163 45.100 -0.462 0.000 0.980 305 G HN 1.303 nan 8.290 nan 0.000 0.548 306 T N -1.399 113.055 114.554 -0.168 0.000 3.069 306 T HA 0.468 4.817 4.350 -0.002 0.000 0.252 306 T C 2.349 177.047 174.700 -0.004 0.000 1.053 306 T CA 1.406 63.456 62.100 -0.083 0.000 0.964 306 T CB 0.282 69.079 68.868 -0.118 0.000 1.005 306 T HN 2.643 nan 8.240 nan 0.000 0.532 307 G N 1.050 109.871 108.800 0.035 0.000 2.212 307 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.267 307 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.267 307 G C 0.183 175.172 174.900 0.148 0.000 1.002 307 G CA 0.775 45.960 45.100 0.141 0.000 0.729 307 G HN 0.838 nan 8.290 nan 0.000 0.517 308 T N -2.174 112.371 114.554 -0.015 0.000 2.787 308 T HA 0.711 5.060 4.350 -0.002 0.000 0.297 308 T C 1.590 176.029 174.700 -0.434 0.000 1.221 308 T CA 0.550 62.516 62.100 -0.224 0.000 1.006 308 T CB 1.247 70.060 68.868 -0.091 0.000 1.328 308 T HN 1.644 nan 8.240 nan 0.000 0.509 309 G N 2.255 110.633 108.800 -0.703 0.000 2.669 309 G HA2 -0.427 3.532 3.960 -0.002 0.000 0.365 309 G HA3 -0.427 3.532 3.960 -0.002 0.000 0.365 309 G C 1.316 175.813 174.900 -0.671 0.000 1.119 309 G CA 1.543 46.233 45.100 -0.683 0.000 0.908 309 G HN 0.794 nan 8.290 nan 0.000 0.615 310 K N 1.104 120.827 120.400 -1.129 0.000 2.113 310 K HA -0.097 4.222 4.320 -0.002 0.000 0.208 310 K C 1.151 177.616 176.600 -0.224 0.000 1.047 310 K CA 2.002 57.891 56.287 -0.664 0.000 0.928 310 K CB -0.363 31.767 32.500 -0.616 0.000 0.716 310 K HN 0.578 nan 8.250 nan 0.000 0.446 311 D N 1.002 121.294 120.400 -0.181 0.000 2.615 311 D HA 0.231 4.870 4.640 -0.002 0.000 0.236 311 D C -0.293 176.093 176.300 0.143 0.000 1.233 311 D CA -0.072 53.965 54.000 0.061 0.000 0.829 311 D CB 0.383 41.152 40.800 -0.052 0.000 1.024 311 D HN 0.163 nan 8.370 nan 0.000 0.490 312 A N 0.811 123.658 122.820 0.046 0.000 2.354 312 A HA 0.583 4.902 4.320 -0.002 0.000 0.269 312 A C 0.111 177.801 177.584 0.178 0.000 1.109 312 A CA -0.177 51.910 52.037 0.083 0.000 0.800 312 A CB 0.572 19.515 19.000 -0.095 0.000 1.045 312 A HN 0.227 nan 8.150 nan 0.000 0.489 313 I N 1.856 122.539 120.570 0.187 0.000 2.466 313 I HA 0.371 4.540 4.170 -0.002 0.000 0.289 313 I C 0.416 176.606 176.117 0.123 0.000 1.026 313 I CA -0.320 61.058 61.300 0.131 0.000 1.078 313 I CB 2.407 40.443 38.000 0.061 0.000 1.249 313 I HN 0.746 nan 8.210 nan 0.000 0.429 314 T N 1.163 115.781 114.554 0.106 0.000 3.330 314 T HA -0.019 4.330 4.350 -0.002 0.000 0.240 314 T C 1.480 176.160 174.700 -0.034 0.000 0.988 314 T CA 0.848 62.949 62.100 0.002 0.000 1.253 314 T CB 0.122 69.025 68.868 0.057 0.000 1.163 314 T HN 0.661 nan 8.240 nan 0.000 0.382 315 S N 0.242 115.968 115.700 0.044 0.000 2.503 315 S HA 0.438 4.907 4.470 -0.002 0.000 0.215 315 S C 1.832 176.445 174.600 0.022 0.000 1.003 315 S CA 0.915 59.137 58.200 0.037 0.000 0.910 315 S CB 0.313 63.571 63.200 0.097 0.000 0.790 315 S HN 0.932 nan 8.310 nan 0.000 0.514 316 G N 0.951 109.761 108.800 0.017 0.000 2.176 316 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.232 316 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.232 316 G C -0.039 174.842 174.900 -0.032 0.000 0.986 316 G CA 0.063 45.152 45.100 -0.019 0.000 0.643 316 G HN 0.550 nan 8.290 nan 0.000 0.522 317 I N 0.633 121.197 120.570 -0.010 0.000 2.428 317 I HA 0.545 4.714 4.170 -0.002 0.000 0.296 317 I C 0.079 176.147 176.117 -0.081 0.000 0.985 317 I CA -0.783 60.497 61.300 -0.034 0.000 1.260 317 I CB 1.755 39.757 38.000 0.004 0.000 1.389 317 I HN 0.029 nan 8.210 nan 0.000 0.484 318 E N 5.486 125.618 120.200 -0.113 0.000 2.256 318 E HA 0.476 4.825 4.350 -0.002 0.000 0.243 318 E C -1.655 174.816 176.600 -0.214 0.000 0.925 318 E CA -0.306 56.001 56.400 -0.156 0.000 0.748 318 E CB 0.896 30.527 29.700 -0.116 0.000 1.206 318 E HN 0.289 nan 8.360 nan 0.000 0.428 319 V N 4.075 123.778 119.914 -0.352 0.000 2.686 319 V HA 0.479 4.597 4.120 -0.002 0.000 0.306 319 V C -0.850 174.806 176.094 -0.729 0.000 1.065 319 V CA -0.907 61.081 62.300 -0.520 0.000 0.894 319 V CB 2.304 33.738 31.823 -0.648 0.000 1.004 319 V HN 0.363 nan 8.190 nan 0.000 0.424 320 V N 4.259 123.853 119.914 -0.534 0.000 2.357 320 V HA 0.257 4.376 4.120 -0.002 0.000 0.281 320 V C 0.605 176.534 176.094 -0.274 0.000 1.015 320 V CA -0.476 61.594 62.300 -0.384 0.000 0.827 320 V CB 1.370 33.115 31.823 -0.130 0.000 1.018 320 V HN 0.980 nan 8.190 nan 0.000 0.432 321 W N 2.514 123.790 121.300 -0.041 0.000 2.333 321 W HA -0.103 4.555 4.660 -0.002 0.000 0.316 321 W C 1.338 177.841 176.519 -0.026 0.000 1.215 321 W CA 1.814 59.150 57.345 -0.016 0.000 1.278 321 W CB -0.467 29.054 29.460 0.102 0.000 1.154 321 W HN 0.627 nan 8.180 nan 0.000 0.486 322 T N -1.559 113.112 114.554 0.196 0.000 2.927 322 T HA 0.249 4.598 4.350 -0.002 0.000 0.286 322 T C 0.484 175.179 174.700 -0.008 0.000 1.040 322 T CA -0.409 61.727 62.100 0.060 0.000 1.010 322 T CB 1.641 70.500 68.868 -0.016 0.000 1.177 322 T HN 0.017 nan 8.240 nan 0.000 0.546 323 N N -0.686 117.999 118.700 -0.025 0.000 2.383 323 N HA 0.111 4.850 4.740 -0.002 0.000 0.192 323 N C 0.312 175.777 175.510 -0.076 0.000 1.141 323 N CA -0.044 52.986 53.050 -0.033 0.000 0.851 323 N CB 0.041 38.524 38.487 -0.007 0.000 0.976 323 N HN 0.817 nan 8.380 nan 0.000 0.465 324 T N -3.872 110.610 114.554 -0.121 0.000 3.418 324 T HA 0.395 4.744 4.350 -0.002 0.000 0.315 324 T C -2.429 172.141 174.700 -0.217 0.000 1.447 324 T CA -1.573 60.434 62.100 -0.154 0.000 1.641 324 T CB 1.610 70.403 68.868 -0.124 0.000 0.904 324 T HN -0.259 nan 8.240 nan 0.000 0.640 325 P HA -0.091 nan 4.420 nan 0.000 0.217 325 P C 1.409 178.593 177.300 -0.193 0.000 1.148 325 P CA 1.294 64.166 63.100 -0.379 0.000 0.828 325 P CB 0.015 31.115 31.700 -1.000 0.000 0.783 326 T N -5.033 109.401 114.554 -0.199 0.000 3.215 326 T HA 0.347 4.696 4.350 -0.002 0.000 0.271 326 T C 0.207 174.932 174.700 0.042 0.000 1.012 326 T CA -0.404 61.644 62.100 -0.086 0.000 0.899 326 T CB -0.288 68.490 68.868 -0.150 0.000 1.089 326 T HN -0.033 nan 8.240 nan 0.000 0.552 327 K N 0.511 120.949 120.400 0.065 0.000 2.502 327 K HA 0.395 4.714 4.320 -0.002 0.000 0.257 327 K C -1.619 174.999 176.600 0.030 0.000 0.938 327 K CA -0.911 55.442 56.287 0.109 0.000 0.819 327 K CB 2.135 34.654 32.500 0.031 0.000 1.333 327 K HN 0.292 nan 8.250 nan 0.000 0.434 328 W N 4.603 125.894 121.300 -0.014 0.000 2.361 328 W HA 0.215 4.874 4.660 -0.002 0.000 0.309 328 W C -1.162 175.294 176.519 -0.104 0.000 1.122 328 W CA 0.226 57.486 57.345 -0.140 0.000 1.208 328 W CB 0.731 30.274 29.460 0.140 0.000 1.246 328 W HN 0.863 nan 8.180 nan 0.000 0.490 329 D N 1.725 121.666 120.400 -0.765 0.000 2.946 329 D HA 0.089 4.728 4.640 -0.002 0.000 0.337 329 D C -0.650 175.233 176.300 -0.696 0.000 1.332 329 D CA -0.661 53.014 54.000 -0.540 0.000 0.935 329 D CB 0.335 40.983 40.800 -0.252 0.000 1.440 329 D HN 0.362 nan 8.370 nan 0.000 0.540 330 N N -1.095 117.377 118.700 -0.379 0.000 2.235 330 N HA 0.076 4.815 4.740 -0.002 0.000 0.209 330 N C 0.454 175.856 175.510 -0.180 0.000 1.122 330 N CA -0.081 52.791 53.050 -0.296 0.000 0.845 330 N CB 0.207 38.599 38.487 -0.158 0.000 1.004 330 N HN 0.264 nan 8.380 nan 0.000 0.499 331 S N 0.531 116.119 115.700 -0.187 0.000 2.387 331 S HA -0.188 4.281 4.470 -0.002 0.000 0.230 331 S C 1.379 175.958 174.600 -0.035 0.000 1.035 331 S CA 1.007 59.152 58.200 -0.093 0.000 1.014 331 S CB -0.371 62.771 63.200 -0.097 0.000 0.836 331 S HN 0.476 nan 8.310 nan 0.000 0.466 332 F N 2.230 122.064 119.950 -0.194 0.000 2.043 332 F HA -0.174 4.352 4.527 -0.002 0.000 0.297 332 F C 1.898 177.674 175.800 -0.039 0.000 1.121 332 F CA 1.586 59.507 58.000 -0.132 0.000 1.199 332 F CB -0.433 38.407 39.000 -0.266 0.000 0.968 332 F HN 0.089 nan 8.300 nan 0.000 0.478 333 L N -0.067 121.244 121.223 0.145 0.000 2.201 333 L HA -0.170 4.169 4.340 -0.002 0.000 0.212 333 L C 2.280 179.243 176.870 0.155 0.000 1.105 333 L CA 1.346 56.295 54.840 0.180 0.000 0.775 333 L CB -0.688 41.538 42.059 0.278 0.000 0.913 333 L HN 0.280 nan 8.230 nan 0.000 0.440 334 E N 0.086 120.323 120.200 0.063 0.000 2.152 334 E HA -0.140 4.209 4.350 -0.002 0.000 0.192 334 E C 2.239 178.880 176.600 0.069 0.000 0.983 334 E CA 0.903 57.334 56.400 0.053 0.000 0.818 334 E CB 0.115 29.814 29.700 -0.003 0.000 0.758 334 E HN 0.533 nan 8.360 nan 0.000 0.467 335 I N 0.656 121.273 120.570 0.078 0.000 2.339 335 I HA -0.183 3.986 4.170 -0.002 0.000 0.245 335 I C 2.417 178.749 176.117 0.358 0.000 1.096 335 I CA 0.272 61.721 61.300 0.249 0.000 1.408 335 I CB -0.079 38.062 38.000 0.236 0.000 1.092 335 I HN 0.118 nan 8.210 nan 0.000 0.423 336 L N 0.480 121.711 121.223 0.013 0.000 2.081 336 L HA -0.256 4.083 4.340 -0.002 0.000 0.212 336 L C 1.917 178.785 176.870 -0.003 0.000 1.080 336 L CA 2.198 56.955 54.840 -0.138 0.000 0.754 336 L CB -0.627 41.099 42.059 -0.554 0.000 0.893 336 L HN 0.212 nan 8.230 nan 0.000 0.433 337 Y N -1.650 118.726 120.300 0.126 0.000 2.449 337 Y HA 0.304 4.853 4.550 -0.002 0.000 0.254 337 Y C 2.241 178.146 175.900 0.008 0.000 1.140 337 Y CA 0.365 58.516 58.100 0.085 0.000 1.272 337 Y CB -0.084 38.389 38.460 0.023 0.000 1.114 337 Y HN 0.158 nan 8.280 nan 0.000 0.525 338 G N -1.163 107.680 108.800 0.072 0.000 2.551 338 G HA2 -0.025 3.934 3.960 -0.002 0.000 0.216 338 G HA3 -0.025 3.934 3.960 -0.002 0.000 0.216 338 G C -0.140 174.448 174.900 -0.521 0.000 1.137 338 G CA 0.543 45.489 45.100 -0.256 0.000 0.798 338 G HN 0.227 nan 8.290 nan 0.000 0.536 339 Y N -1.067 119.125 120.300 -0.180 0.000 2.662 339 Y HA 0.625 5.174 4.550 -0.002 0.000 0.335 339 Y C -0.258 175.280 175.900 -0.604 0.000 1.066 339 Y CA -1.355 56.465 58.100 -0.465 0.000 1.116 339 Y CB 1.274 39.238 38.460 -0.827 0.000 1.308 339 Y HN -0.239 nan 8.280 nan 0.000 0.502 340 E N 0.486 120.422 120.200 -0.440 0.000 2.191 340 E HA 0.236 4.585 4.350 -0.002 0.000 0.274 340 E C -1.756 174.509 176.600 -0.559 0.000 0.948 340 E CA -0.650 55.542 56.400 -0.347 0.000 0.802 340 E CB 1.288 30.908 29.700 -0.132 0.000 1.137 340 E HN 0.501 nan 8.360 nan 0.000 0.397 341 W N 1.064 122.385 121.300 0.034 0.000 2.520 341 W HA 0.413 5.072 4.660 -0.002 0.000 0.323 341 W C 0.528 177.168 176.519 0.202 0.000 1.062 341 W CA -0.607 56.792 57.345 0.091 0.000 1.215 341 W CB 1.233 30.701 29.460 0.013 0.000 1.340 341 W HN 0.238 nan 8.180 nan 0.000 0.516 342 E N 1.610 122.070 120.200 0.435 0.000 2.256 342 E HA 0.382 4.731 4.350 -0.002 0.000 0.267 342 E C -1.216 175.482 176.600 0.163 0.000 0.892 342 E CA -1.367 55.198 56.400 0.275 0.000 0.775 342 E CB 2.397 32.166 29.700 0.115 0.000 1.207 342 E HN 0.229 nan 8.360 nan 0.000 0.420 343 L N 1.894 123.059 121.223 -0.097 0.000 2.439 343 L HA 0.310 4.649 4.340 -0.002 0.000 0.269 343 L C 0.129 176.956 176.870 -0.071 0.000 1.179 343 L CA 1.081 55.664 54.840 -0.428 0.000 0.828 343 L CB 1.255 43.043 42.059 -0.452 0.000 1.106 343 L HN 0.614 nan 8.230 nan 0.000 0.467 344 T N 3.158 117.723 114.554 0.019 0.000 2.648 344 T HA 0.538 4.886 4.350 -0.002 0.000 0.304 344 T C -1.639 173.123 174.700 0.103 0.000 1.312 344 T CA -0.765 61.389 62.100 0.090 0.000 1.023 344 T CB 1.041 69.928 68.868 0.032 0.000 1.612 344 T HN 0.534 nan 8.240 nan 0.000 0.487 345 K N 1.635 122.019 120.400 -0.027 0.000 2.468 345 K HA 0.520 4.839 4.320 -0.002 0.000 0.252 345 K C -0.323 176.206 176.600 -0.119 0.000 0.932 345 K CA -0.758 55.440 56.287 -0.148 0.000 0.794 345 K CB 2.032 34.356 32.500 -0.293 0.000 1.241 345 K HN 0.798 nan 8.250 nan 0.000 0.428 346 S N 1.139 116.763 115.700 -0.127 0.000 2.617 346 S HA 0.201 4.670 4.470 -0.002 0.000 0.259 346 S C -1.777 172.748 174.600 -0.125 0.000 1.301 346 S CA -0.778 57.357 58.200 -0.108 0.000 0.984 346 S CB 0.593 63.733 63.200 -0.100 0.000 0.954 346 S HN 0.299 nan 8.310 nan 0.000 0.572 347 P HA 0.093 nan 4.420 nan 0.000 0.222 347 P C 0.689 177.898 177.300 -0.152 0.000 1.147 347 P CA 1.329 64.353 63.100 -0.126 0.000 0.790 347 P CB -0.134 31.491 31.700 -0.125 0.000 0.780 348 A N -0.893 121.836 122.820 -0.151 0.000 2.379 348 A HA 0.511 4.830 4.320 -0.002 0.000 0.236 348 A C 1.354 178.847 177.584 -0.153 0.000 1.272 348 A CA 0.336 52.284 52.037 -0.148 0.000 0.886 348 A CB -1.159 17.766 19.000 -0.125 0.000 0.962 348 A HN 0.192 nan 8.150 nan 0.000 0.504 349 G N -1.146 107.544 108.800 -0.183 0.000 2.246 349 G HA2 0.115 4.074 3.960 -0.002 0.000 0.273 349 G HA3 0.115 4.074 3.960 -0.002 0.000 0.273 349 G C 0.262 174.963 174.900 -0.332 0.000 1.055 349 G CA 0.453 45.400 45.100 -0.256 0.000 0.851 349 G HN 1.609 nan 8.290 nan 0.000 0.500 350 A N -0.789 121.871 122.820 -0.267 0.000 2.325 350 A HA 0.755 5.074 4.320 -0.002 0.000 0.333 350 A C 0.080 177.533 177.584 -0.219 0.000 1.155 350 A CA -0.832 51.066 52.037 -0.232 0.000 0.814 350 A CB 0.890 19.839 19.000 -0.084 0.000 1.206 350 A HN 0.616 nan 8.150 nan 0.000 0.482 351 W N 0.913 122.191 121.300 -0.036 0.000 2.218 351 W HA 0.475 5.134 4.660 -0.002 0.000 0.326 351 W C 0.763 177.245 176.519 -0.061 0.000 1.276 351 W CA 0.334 57.635 57.345 -0.073 0.000 1.210 351 W CB 0.693 30.117 29.460 -0.061 0.000 1.143 351 W HN 0.852 nan 8.180 nan 0.000 0.563 352 Q N 1.213 121.116 119.800 0.172 0.000 2.756 352 Q HA 0.431 4.770 4.340 -0.002 0.000 0.295 352 Q C -2.033 173.959 176.000 -0.014 0.000 0.903 352 Q CA -1.208 54.661 55.803 0.111 0.000 0.768 352 Q CB 1.657 30.435 28.738 0.067 0.000 1.472 352 Q HN 0.480 nan 8.270 nan 0.000 0.416 353 Y N -0.039 120.311 120.300 0.084 0.000 2.468 353 Y HA 0.714 5.263 4.550 -0.002 0.000 0.342 353 Y C -0.199 175.862 175.900 0.267 0.000 1.021 353 Y CA -0.265 57.929 58.100 0.158 0.000 1.079 353 Y CB 2.889 41.423 38.460 0.123 0.000 1.226 353 Y HN 0.677 nan 8.280 nan 0.000 0.460 354 T N 0.888 115.724 114.554 0.470 0.000 2.916 354 T HA 0.715 5.064 4.350 -0.002 0.000 0.292 354 T C -0.665 174.141 174.700 0.177 0.000 1.064 354 T CA -0.899 61.399 62.100 0.331 0.000 1.011 354 T CB 1.498 70.426 68.868 0.100 0.000 1.152 354 T HN 0.733 nan 8.240 nan 0.000 0.510 355 A N 1.832 124.496 122.820 -0.260 0.000 2.440 355 A HA 0.444 4.763 4.320 -0.002 0.000 0.251 355 A C 0.458 177.876 177.584 -0.277 0.000 1.089 355 A CA -0.202 51.461 52.037 -0.624 0.000 0.779 355 A CB -0.080 18.360 19.000 -0.932 0.000 1.022 355 A HN 0.770 nan 8.150 nan 0.000 0.492 356 K N 0.798 121.066 120.400 -0.220 0.000 2.143 356 K HA 0.163 4.482 4.320 -0.002 0.000 0.239 356 K C -0.063 176.483 176.600 -0.091 0.000 1.048 356 K CA 0.110 56.336 56.287 -0.102 0.000 0.867 356 K CB 0.158 32.617 32.500 -0.069 0.000 1.088 356 K HN 0.745 nan 8.250 nan 0.000 0.510 357 D N -0.764 119.604 120.400 -0.054 0.000 3.059 357 D HA -0.204 4.435 4.640 -0.002 0.000 0.222 357 D C 0.632 176.905 176.300 -0.046 0.000 1.185 357 D CA 1.511 55.486 54.000 -0.041 0.000 0.904 357 D CB -1.606 39.174 40.800 -0.034 0.000 1.122 357 D HN 0.964 nan 8.370 nan 0.000 0.410 358 G N -0.325 108.437 108.800 -0.064 0.000 2.258 358 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.274 358 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.274 358 G C 0.618 175.474 174.900 -0.073 0.000 1.021 358 G CA 1.146 46.205 45.100 -0.068 0.000 0.798 358 G HN 1.145 nan 8.290 nan 0.000 0.507 359 A N -0.722 122.050 122.820 -0.079 0.000 2.346 359 A HA 0.719 5.038 4.320 -0.002 0.000 0.255 359 A C 2.110 179.639 177.584 -0.091 0.000 1.113 359 A CA 1.125 53.151 52.037 -0.018 0.000 0.798 359 A CB -0.263 18.802 19.000 0.109 0.000 1.073 359 A HN 2.295 nan 8.150 nan 0.000 0.502 360 G N -1.417 107.414 108.800 0.053 0.000 2.321 360 G HA2 0.132 4.091 3.960 -0.002 0.000 0.287 360 G HA3 0.132 4.091 3.960 -0.002 0.000 0.287 360 G C 0.627 175.484 174.900 -0.072 0.000 1.018 360 G CA 0.785 45.880 45.100 -0.009 0.000 0.855 360 G HN 2.156 nan 8.290 nan 0.000 0.507 361 A N -0.488 122.303 122.820 -0.048 0.000 2.561 361 A HA 0.588 4.907 4.320 -0.002 0.000 0.234 361 A C 2.083 179.649 177.584 -0.030 0.000 1.055 361 A CA 1.224 53.234 52.037 -0.045 0.000 0.756 361 A CB -0.166 18.816 19.000 -0.031 0.000 0.986 361 A HN 2.314 nan 8.150 nan 0.000 0.505 362 G N 1.484 110.265 108.800 -0.031 0.000 2.393 362 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.304 362 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.304 362 G C 0.815 175.710 174.900 -0.009 0.000 0.977 362 G CA 1.314 46.403 45.100 -0.019 0.000 0.803 362 G HN 1.454 nan 8.290 nan 0.000 0.511 363 T N -0.522 114.025 114.554 -0.013 0.000 3.169 363 T HA 0.475 4.824 4.350 -0.002 0.000 0.250 363 T C 0.756 175.461 174.700 0.007 0.000 1.111 363 T CA 0.148 62.251 62.100 0.006 0.000 1.010 363 T CB -0.259 68.625 68.868 0.028 0.000 0.984 363 T HN 0.404 nan 8.240 nan 0.000 0.537 364 I N 3.632 124.202 120.570 -0.000 0.000 2.478 364 I HA 0.367 4.536 4.170 -0.002 0.000 0.287 364 I C -2.369 173.768 176.117 0.034 0.000 1.042 364 I CA -2.733 58.572 61.300 0.010 0.000 1.067 364 I CB 2.515 40.512 38.000 -0.006 0.000 1.233 364 I HN -0.042 nan 8.210 nan 0.000 0.431 365 P HA -0.044 nan 4.420 nan 0.000 0.266 365 P C -0.972 176.444 177.300 0.194 0.000 1.195 365 P CA 0.142 63.322 63.100 0.134 0.000 0.768 365 P CB 1.185 32.992 31.700 0.179 0.000 0.838 366 D N 3.581 124.021 120.400 0.067 0.000 2.210 366 D HA 0.105 4.744 4.640 -0.002 0.000 0.249 366 D C -1.188 174.858 176.300 -0.423 0.000 1.078 366 D CA -2.199 51.759 54.000 -0.071 0.000 0.875 366 D CB 1.480 42.252 40.800 -0.048 0.000 1.175 366 D HN 0.197 nan 8.370 nan 0.000 0.440 367 P HA -0.083 nan 4.420 nan 0.000 0.223 367 P C 0.308 176.822 177.300 -1.311 0.000 1.144 367 P CA 0.838 62.990 63.100 -1.580 0.000 0.783 367 P CB 0.031 31.135 31.700 -0.993 0.000 0.771 368 F N -1.693 118.029 119.950 -0.379 0.000 2.811 368 F HA 0.458 4.984 4.527 -0.002 0.000 0.342 368 F C 1.503 177.206 175.800 -0.161 0.000 1.203 368 F CA 0.199 58.054 58.000 -0.243 0.000 1.173 368 F CB 0.592 39.471 39.000 -0.201 0.000 1.094 368 F HN 0.012 nan 8.300 nan 0.000 0.510 369 G N -0.070 108.697 108.800 -0.055 0.000 2.213 369 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.226 369 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.226 369 G C 0.923 175.816 174.900 -0.011 0.000 0.992 369 G CA -0.317 44.770 45.100 -0.023 0.000 0.632 369 G HN 0.758 nan 8.290 nan 0.000 0.511 370 G N 1.097 109.894 108.800 -0.005 0.000 2.785 370 G HA2 0.444 4.403 3.960 -0.002 0.000 0.256 370 G HA3 0.444 4.403 3.960 -0.002 0.000 0.256 370 G C -0.990 173.905 174.900 -0.009 0.000 1.248 370 G CA 0.348 45.444 45.100 -0.007 0.000 0.914 370 G HN 0.481 nan 8.290 nan 0.000 0.580 371 P HA 0.264 nan 4.420 nan 0.000 0.276 371 P C 0.608 177.904 177.300 -0.006 0.000 1.261 371 P CA -0.046 63.050 63.100 -0.007 0.000 0.800 371 P CB 0.531 32.225 31.700 -0.010 0.000 1.066 372 G N 0.905 109.703 108.800 -0.004 0.000 2.647 372 G HA2 -0.004 3.955 3.960 -0.002 0.000 0.234 372 G HA3 -0.004 3.955 3.960 -0.002 0.000 0.234 372 G C 0.696 175.588 174.900 -0.014 0.000 1.252 372 G CA -0.304 44.794 45.100 -0.003 0.000 0.846 372 G HN 0.480 nan 8.290 nan 0.000 0.589 373 R N -0.052 120.436 120.500 -0.018 0.000 1.758 373 R HA 0.613 4.952 4.340 -0.002 0.000 0.141 373 R C 0.048 176.319 176.300 -0.048 0.000 2.075 373 R CA 0.076 56.156 56.100 -0.032 0.000 1.687 373 R CB 0.109 30.388 30.300 -0.036 0.000 1.239 373 R HN 0.516 nan 8.270 nan 0.000 0.477 374 S N -0.339 115.324 115.700 -0.063 0.000 2.714 374 S HA 0.182 4.651 4.470 -0.002 0.000 0.297 374 S C -2.953 171.585 174.600 -0.103 0.000 0.993 374 S CA -0.937 57.202 58.200 -0.101 0.000 0.844 374 S CB 1.356 64.501 63.200 -0.093 0.000 1.043 374 S HN -0.008 nan 8.310 nan 0.000 0.457 375 P HA 0.227 nan 4.420 nan 0.000 0.263 375 P C -0.677 176.724 177.300 0.168 0.000 1.195 375 P CA 0.210 63.269 63.100 -0.068 0.000 0.762 375 P CB 0.336 31.809 31.700 -0.379 0.000 0.799 376 T N 0.731 115.379 114.554 0.156 0.000 2.906 376 T HA 0.856 5.205 4.350 -0.002 0.000 0.295 376 T C -0.553 174.101 174.700 -0.078 0.000 1.075 376 T CA -0.854 61.315 62.100 0.116 0.000 1.005 376 T CB 1.318 70.160 68.868 -0.044 0.000 1.136 376 T HN 0.104 nan 8.240 nan 0.000 0.498 377 M N 1.261 120.787 119.600 -0.125 0.000 2.644 377 M HA 0.464 4.943 4.480 -0.002 0.000 0.273 377 M C -1.447 174.878 176.300 0.042 0.000 1.253 377 M CA -0.670 54.528 55.300 -0.170 0.000 0.852 377 M CB 2.268 34.448 32.600 -0.700 0.000 1.708 377 M HN 0.659 nan 8.290 nan 0.000 0.471 378 L N 0.427 121.753 121.223 0.172 0.000 2.375 378 L HA 0.562 4.901 4.340 -0.002 0.000 0.268 378 L C 1.428 178.413 176.870 0.192 0.000 1.058 378 L CA -0.422 54.562 54.840 0.240 0.000 0.803 378 L CB 1.113 43.369 42.059 0.328 0.000 1.212 378 L HN 0.982 nan 8.230 nan 0.000 0.451 379 A N 0.642 123.630 122.820 0.280 0.000 1.940 379 A HA -0.189 4.130 4.320 -0.002 0.000 0.219 379 A C 2.126 179.750 177.584 0.066 0.000 1.176 379 A CA 2.366 54.528 52.037 0.209 0.000 0.631 379 A CB -1.026 18.145 19.000 0.285 0.000 0.814 379 A HN 0.933 nan 8.150 nan 0.000 0.446 380 T N -1.987 112.647 114.554 0.134 0.000 2.915 380 T HA -0.132 4.217 4.350 -0.002 0.000 0.269 380 T C 1.313 176.045 174.700 0.054 0.000 1.071 380 T CA 1.353 63.519 62.100 0.110 0.000 1.132 380 T CB -0.383 68.591 68.868 0.177 0.000 0.878 380 T HN 0.431 nan 8.240 nan 0.000 0.479 381 D N 1.569 122.020 120.400 0.086 0.000 2.117 381 D HA 0.047 4.686 4.640 -0.002 0.000 0.198 381 D C 2.102 178.329 176.300 -0.120 0.000 0.982 381 D CA 0.713 54.757 54.000 0.074 0.000 0.828 381 D CB -0.225 40.675 40.800 0.165 0.000 0.967 381 D HN 0.358 nan 8.370 nan 0.000 0.464 382 L N 0.956 122.025 121.223 -0.256 0.000 2.362 382 L HA -0.085 4.254 4.340 -0.002 0.000 0.219 382 L C 2.275 179.023 176.870 -0.203 0.000 1.134 382 L CA 0.409 55.024 54.840 -0.375 0.000 0.807 382 L CB -0.222 41.478 42.059 -0.598 0.000 0.927 382 L HN -0.069 nan 8.230 nan 0.000 0.447 383 S N 0.282 115.924 115.700 -0.097 0.000 2.399 383 S HA -0.104 4.365 4.470 -0.002 0.000 0.231 383 S C 1.940 176.586 174.600 0.077 0.000 1.022 383 S CA 0.986 59.191 58.200 0.007 0.000 0.983 383 S CB -0.161 63.077 63.200 0.063 0.000 0.803 383 S HN 0.364 nan 8.310 nan 0.000 0.480 384 L N 0.705 121.921 121.223 -0.011 0.000 2.191 384 L HA -0.016 4.323 4.340 -0.002 0.000 0.212 384 L C 2.625 179.524 176.870 0.050 0.000 1.103 384 L CA 1.114 55.954 54.840 -0.000 0.000 0.769 384 L CB -0.291 41.732 42.059 -0.060 0.000 0.908 384 L HN 0.236 nan 8.230 nan 0.000 0.438 385 R N -0.779 119.678 120.500 -0.071 0.000 2.225 385 R HA 0.025 4.364 4.340 -0.002 0.000 0.194 385 R C 1.872 178.155 176.300 -0.029 0.000 0.957 385 R CA 0.319 56.350 56.100 -0.114 0.000 1.042 385 R CB 0.428 30.464 30.300 -0.440 0.000 1.004 385 R HN 0.114 nan 8.270 nan 0.000 0.509 386 V N 0.689 120.579 119.914 -0.040 0.000 2.725 386 V HA -0.041 4.078 4.120 -0.002 0.000 0.247 386 V C 0.447 176.540 176.094 -0.001 0.000 1.058 386 V CA 0.895 63.181 62.300 -0.024 0.000 1.080 386 V CB -0.144 31.647 31.823 -0.053 0.000 0.713 386 V HN 0.286 nan 8.190 nan 0.000 0.465 387 D N -0.021 120.391 120.400 0.021 0.000 2.348 387 D HA 0.123 4.762 4.640 -0.002 0.000 0.253 387 D C -1.524 174.756 176.300 -0.033 0.000 1.161 387 D CA -1.445 52.541 54.000 -0.023 0.000 0.876 387 D CB 1.752 42.518 40.800 -0.057 0.000 1.160 387 D HN -0.007 nan 8.370 nan 0.000 0.459 388 P HA -0.216 nan 4.420 nan 0.000 0.214 388 P C 1.280 178.538 177.300 -0.071 0.000 1.169 388 P CA 1.361 64.427 63.100 -0.055 0.000 0.908 388 P CB 0.099 31.760 31.700 -0.065 0.000 0.791 389 I N -2.864 117.620 120.570 -0.144 0.000 2.179 389 I HA -0.273 3.896 4.170 -0.002 0.000 0.242 389 I C 2.411 178.484 176.117 -0.072 0.000 1.088 389 I CA 1.642 62.851 61.300 -0.151 0.000 1.357 389 I CB -0.825 37.028 38.000 -0.244 0.000 1.051 389 I HN 0.010 nan 8.210 nan 0.000 0.409 390 Y N 0.822 121.076 120.300 -0.078 0.000 2.145 390 Y HA -0.265 4.284 4.550 -0.002 0.000 0.286 390 Y C 2.833 178.683 175.900 -0.084 0.000 1.145 390 Y CA 0.821 58.862 58.100 -0.097 0.000 1.148 390 Y CB -0.194 38.217 38.460 -0.081 0.000 0.981 390 Y HN 0.194 nan 8.280 nan 0.000 0.507 391 E N 0.883 121.161 120.200 0.131 0.000 2.065 391 E HA -0.279 4.070 4.350 -0.002 0.000 0.201 391 E C 2.169 178.785 176.600 0.026 0.000 1.016 391 E CA 1.563 58.036 56.400 0.121 0.000 0.818 391 E CB -0.075 29.686 29.700 0.100 0.000 0.749 391 E HN 0.480 nan 8.360 nan 0.000 0.453 392 R N 0.069 120.549 120.500 -0.033 0.000 2.080 392 R HA -0.167 4.172 4.340 -0.002 0.000 0.236 392 R C 2.547 178.731 176.300 -0.193 0.000 1.137 392 R CA 1.602 57.645 56.100 -0.094 0.000 0.943 392 R CB -0.462 29.787 30.300 -0.087 0.000 0.846 392 R HN 0.275 nan 8.270 nan 0.000 0.431 393 I N 1.260 121.682 120.570 -0.246 0.000 2.091 393 I HA -0.300 3.869 4.170 -0.002 0.000 0.239 393 I C 2.699 178.330 176.117 -0.811 0.000 1.061 393 I CA 2.342 63.311 61.300 -0.551 0.000 1.317 393 I CB -1.885 35.812 38.000 -0.506 0.000 1.031 393 I HN 0.364 nan 8.210 nan 0.000 0.401 394 T N -0.771 113.537 114.554 -0.411 0.000 2.777 394 T HA -0.190 4.159 4.350 -0.002 0.000 0.266 394 T C 2.031 176.691 174.700 -0.066 0.000 1.040 394 T CA 1.119 63.150 62.100 -0.115 0.000 1.141 394 T CB -0.477 68.520 68.868 0.214 0.000 0.868 394 T HN 0.070 nan 8.240 nan 0.000 0.444 395 R N 1.596 121.997 120.500 -0.164 0.000 2.119 395 R HA -0.092 4.247 4.340 -0.002 0.000 0.246 395 R C 2.569 178.746 176.300 -0.204 0.000 1.146 395 R CA 1.818 57.695 56.100 -0.370 0.000 0.962 395 R CB -0.580 29.554 30.300 -0.276 0.000 0.863 395 R HN 0.441 nan 8.270 nan 0.000 0.442 396 R N -0.502 119.906 120.500 -0.153 0.000 2.070 396 R HA -0.131 4.208 4.340 -0.002 0.000 0.233 396 R C 1.664 178.064 176.300 0.166 0.000 1.137 396 R CA 1.985 58.067 56.100 -0.029 0.000 0.945 396 R CB -0.932 29.279 30.300 -0.149 0.000 0.845 396 R HN 0.336 nan 8.270 nan 0.000 0.430 397 W N 0.552 121.884 121.300 0.054 0.000 2.468 397 W HA -0.045 4.614 4.660 -0.002 0.000 0.262 397 W C 1.755 178.278 176.519 0.006 0.000 1.241 397 W CA 0.269 57.652 57.345 0.063 0.000 1.232 397 W CB -0.931 28.560 29.460 0.051 0.000 1.124 397 W HN 0.239 nan 8.180 nan 0.000 0.597 398 L N 0.812 122.123 121.223 0.146 0.000 2.083 398 L HA -0.154 4.185 4.340 -0.002 0.000 0.209 398 L C 1.752 178.605 176.870 -0.030 0.000 1.083 398 L CA 2.070 56.919 54.840 0.015 0.000 0.752 398 L CB -0.434 41.532 42.059 -0.156 0.000 0.899 398 L HN -0.105 nan 8.230 nan 0.000 0.433 399 E N -2.179 117.988 120.200 -0.056 0.000 2.481 399 E HA 0.118 4.467 4.350 -0.002 0.000 0.198 399 E C -0.361 175.908 176.600 -0.552 0.000 1.027 399 E CA 0.026 56.276 56.400 -0.251 0.000 0.900 399 E CB 0.285 29.829 29.700 -0.261 0.000 0.993 399 E HN 0.482 nan 8.360 nan 0.000 0.482 400 H N -0.719 118.418 119.070 0.111 0.000 2.514 400 H HA 0.148 4.703 4.556 -0.002 0.000 0.226 400 H C -2.219 173.204 175.328 0.158 0.000 1.421 400 H CA -1.579 54.552 56.048 0.138 0.000 1.394 400 H CB 1.036 30.899 29.762 0.167 0.000 1.701 400 H HN 0.036 nan 8.280 nan 0.000 0.515 401 P HA -0.213 nan 4.420 nan 0.000 0.216 401 P C 1.864 179.227 177.300 0.106 0.000 1.150 401 P CA 1.275 64.423 63.100 0.080 0.000 0.843 401 P CB 0.427 32.153 31.700 0.044 0.000 0.787 402 E N 0.879 121.166 120.200 0.145 0.000 2.209 402 E HA -0.240 4.109 4.350 -0.002 0.000 0.196 402 E C 1.529 178.201 176.600 0.121 0.000 0.993 402 E CA 1.541 58.027 56.400 0.144 0.000 0.819 402 E CB -0.984 28.798 29.700 0.137 0.000 0.745 402 E HN 0.365 nan 8.360 nan 0.000 0.477 403 E N 0.260 120.545 120.200 0.141 0.000 2.112 403 E HA -0.076 4.273 4.350 -0.002 0.000 0.190 403 E C 2.124 178.615 176.600 -0.180 0.000 0.979 403 E CA 0.750 57.236 56.400 0.143 0.000 0.814 403 E CB -0.129 29.811 29.700 0.399 0.000 0.762 403 E HN 0.179 nan 8.360 nan 0.000 0.460 404 L N 1.337 122.192 121.223 -0.613 0.000 1.961 404 L HA -0.151 4.188 4.340 -0.002 0.000 0.210 404 L C 2.275 178.990 176.870 -0.258 0.000 1.072 404 L CA 2.338 56.515 54.840 -1.106 0.000 0.749 404 L CB -0.967 40.614 42.059 -0.798 0.000 0.889 404 L HN 0.043 nan 8.230 nan 0.000 0.432 405 A N -0.731 122.172 122.820 0.138 0.000 1.915 405 A HA -0.364 3.955 4.320 -0.002 0.000 0.220 405 A C 2.243 180.015 177.584 0.312 0.000 1.198 405 A CA 2.409 54.721 52.037 0.460 0.000 0.647 405 A CB -1.295 17.954 19.000 0.414 0.000 0.825 405 A HN 0.734 nan 8.150 nan 0.000 0.456 406 D N -1.129 119.360 120.400 0.147 0.000 2.097 406 D HA -0.145 4.494 4.640 -0.002 0.000 0.197 406 D C 1.796 178.173 176.300 0.128 0.000 0.984 406 D CA 1.369 55.440 54.000 0.118 0.000 0.826 406 D CB -0.086 40.770 40.800 0.093 0.000 0.973 406 D HN 0.419 nan 8.370 nan 0.000 0.460 407 E N 0.216 120.476 120.200 0.101 0.000 2.077 407 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 407 E C 2.065 178.775 176.600 0.184 0.000 0.989 407 E CA 0.319 56.801 56.400 0.137 0.000 0.800 407 E CB -0.733 29.079 29.700 0.186 0.000 0.746 407 E HN 0.455 nan 8.360 nan 0.000 0.452 408 F N 1.500 121.450 119.950 -0.001 0.000 2.069 408 F HA -0.262 4.264 4.527 -0.002 0.000 0.298 408 F C 2.349 178.290 175.800 0.236 0.000 1.113 408 F CA 1.507 59.532 58.000 0.042 0.000 1.214 408 F CB -0.045 38.899 39.000 -0.095 0.000 0.978 408 F HN 0.026 nan 8.300 nan 0.000 0.474 409 A N 0.339 123.340 122.820 0.302 0.000 1.917 409 A HA -0.259 4.060 4.320 -0.002 0.000 0.219 409 A C 2.187 179.879 177.584 0.180 0.000 1.182 409 A CA 2.074 54.266 52.037 0.259 0.000 0.633 409 A CB -0.766 18.355 19.000 0.202 0.000 0.819 409 A HN 0.468 nan 8.150 nan 0.000 0.448 410 K N -0.695 119.761 120.400 0.095 0.000 2.026 410 K HA -0.064 4.255 4.320 -0.002 0.000 0.208 410 K C 2.371 179.035 176.600 0.105 0.000 1.048 410 K CA 1.148 57.449 56.287 0.024 0.000 0.929 410 K CB -0.310 32.191 32.500 0.002 0.000 0.713 410 K HN 0.455 nan 8.250 nan 0.000 0.439 411 A N 1.324 124.201 122.820 0.096 0.000 1.898 411 A HA -0.182 4.137 4.320 -0.002 0.000 0.216 411 A C 1.912 179.521 177.584 0.042 0.000 1.181 411 A CA 0.980 53.055 52.037 0.063 0.000 0.620 411 A CB -0.903 18.176 19.000 0.132 0.000 0.819 411 A HN 0.624 nan 8.150 nan 0.000 0.442 412 W N -0.555 120.628 121.300 -0.195 0.000 2.358 412 W HA -0.247 4.412 4.660 -0.002 0.000 0.303 412 W C 1.932 178.480 176.519 0.048 0.000 1.208 412 W CA 1.994 59.213 57.345 -0.209 0.000 1.274 412 W CB -0.475 28.654 29.460 -0.551 0.000 1.138 412 W HN 0.493 nan 8.180 nan 0.000 0.515 413 Y N 1.832 122.207 120.300 0.125 0.000 2.070 413 Y HA -0.282 4.267 4.550 -0.002 0.000 0.280 413 Y C 2.855 178.830 175.900 0.125 0.000 1.148 413 Y CA 3.138 61.373 58.100 0.224 0.000 1.125 413 Y CB -0.993 37.660 38.460 0.322 0.000 0.975 413 Y HN -0.110 nan 8.280 nan 0.000 0.492 414 K N -0.076 120.299 120.400 -0.042 0.000 2.044 414 K HA -0.262 4.057 4.320 -0.002 0.000 0.210 414 K C 2.182 178.424 176.600 -0.597 0.000 1.049 414 K CA 1.885 57.799 56.287 -0.623 0.000 0.927 414 K CB -0.652 31.338 32.500 -0.849 0.000 0.713 414 K HN 0.407 nan 8.250 nan 0.000 0.443 415 L N 1.364 122.348 121.223 -0.398 0.000 1.990 415 L HA -0.167 4.172 4.340 -0.002 0.000 0.213 415 L C 1.989 178.599 176.870 -0.433 0.000 1.072 415 L CA 1.787 56.422 54.840 -0.343 0.000 0.755 415 L CB -0.284 41.635 42.059 -0.233 0.000 0.889 415 L HN 0.259 nan 8.230 nan 0.000 0.432 416 I N -1.184 119.048 120.570 -0.564 0.000 3.001 416 I HA -0.181 3.988 4.170 -0.002 0.000 0.268 416 I C 1.032 176.707 176.117 -0.737 0.000 1.267 416 I CA 0.783 61.701 61.300 -0.637 0.000 1.472 416 I CB -0.379 37.182 38.000 -0.732 0.000 1.089 416 I HN 0.456 nan 8.210 nan 0.000 0.468 417 H N -1.867 116.897 119.070 -0.510 0.000 3.058 417 H HA 0.160 4.715 4.556 -0.002 0.000 0.266 417 H C 1.726 176.884 175.328 -0.284 0.000 1.135 417 H CA -0.224 55.560 56.048 -0.440 0.000 1.174 417 H CB 0.235 29.738 29.762 -0.432 0.000 1.581 417 H HN -0.118 nan 8.280 nan 0.000 0.553 418 R N 1.740 122.028 120.500 -0.353 0.000 2.204 418 R HA -0.137 4.202 4.340 -0.002 0.000 0.253 418 R C 0.501 176.578 176.300 -0.371 0.000 1.172 418 R CA 1.983 57.810 56.100 -0.456 0.000 0.994 418 R CB -0.159 29.664 30.300 -0.796 0.000 0.874 418 R HN 0.494 nan 8.270 nan 0.000 0.462 419 D N -1.960 118.227 120.400 -0.354 0.000 2.402 419 D HA -0.015 4.624 4.640 -0.002 0.000 0.216 419 D C 1.028 177.237 176.300 -0.152 0.000 1.128 419 D CA -0.010 53.852 54.000 -0.229 0.000 0.833 419 D CB 0.006 40.692 40.800 -0.190 0.000 0.971 419 D HN 0.168 nan 8.370 nan 0.000 0.503 420 M N 0.619 120.130 119.600 -0.148 0.000 2.476 420 M HA 0.158 4.637 4.480 -0.002 0.000 0.262 420 M C 1.330 177.551 176.300 -0.132 0.000 1.079 420 M CA 1.010 56.194 55.300 -0.194 0.000 1.104 420 M CB -0.858 31.519 32.600 -0.372 0.000 1.409 420 M HN 0.333 nan 8.290 nan 0.000 0.467 421 G N 0.764 109.540 108.800 -0.040 0.000 2.553 421 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.242 421 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.242 421 G C -2.671 172.246 174.900 0.029 0.000 1.277 421 G CA -1.058 44.015 45.100 -0.045 0.000 0.910 421 G HN 0.211 nan 8.290 nan 0.000 0.576 422 P HA 0.257 nan 4.420 nan 0.000 0.265 422 P C 1.447 178.781 177.300 0.057 0.000 1.193 422 P CA 0.578 63.709 63.100 0.052 0.000 0.765 422 P CB 0.813 32.597 31.700 0.140 0.000 0.823 423 V N 1.573 121.447 119.914 -0.067 0.000 2.794 423 V HA -0.284 3.835 4.120 -0.002 0.000 0.260 423 V C 1.899 177.963 176.094 -0.049 0.000 1.103 423 V CA 1.942 64.063 62.300 -0.299 0.000 1.125 423 V CB -1.995 29.519 31.823 -0.515 0.000 0.702 423 V HN 0.546 nan 8.190 nan 0.000 0.494 424 A N 0.765 123.602 122.820 0.027 0.000 2.076 424 A HA -0.149 4.170 4.320 -0.002 0.000 0.220 424 A C 2.381 180.039 177.584 0.123 0.000 1.160 424 A CA 1.789 53.868 52.037 0.069 0.000 0.653 424 A CB -0.562 18.495 19.000 0.095 0.000 0.801 424 A HN 0.629 nan 8.150 nan 0.000 0.455 425 R N -1.834 118.755 120.500 0.148 0.000 2.276 425 R HA 0.015 4.354 4.340 -0.002 0.000 0.203 425 R C -0.489 175.907 176.300 0.160 0.000 1.017 425 R CA -0.002 56.156 56.100 0.096 0.000 1.010 425 R CB -0.143 30.093 30.300 -0.107 0.000 0.900 425 R HN 0.525 nan 8.270 nan 0.000 0.469 426 Y N 1.623 121.909 120.300 -0.022 0.000 2.605 426 Y HA 0.101 4.650 4.550 -0.002 0.000 0.336 426 Y C 0.620 176.541 175.900 0.035 0.000 1.111 426 Y CA -0.037 58.067 58.100 0.006 0.000 1.422 426 Y CB 0.134 38.595 38.460 0.002 0.000 1.193 426 Y HN -0.113 nan 8.280 nan 0.000 0.526 427 L N 2.606 123.937 121.223 0.180 0.000 2.322 427 L HA 0.902 5.241 4.340 -0.002 0.000 0.269 427 L C 0.638 177.632 176.870 0.206 0.000 1.012 427 L CA -0.889 54.035 54.840 0.139 0.000 0.815 427 L CB 1.740 43.835 42.059 0.059 0.000 1.295 427 L HN 0.808 nan 8.230 nan 0.000 0.438 428 G N 1.382 110.239 108.800 0.095 0.000 2.592 428 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.684 428 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.684 428 G C -2.425 172.534 174.900 0.098 0.000 1.291 428 G CA -0.305 44.845 45.100 0.083 0.000 0.891 428 G HN 0.558 nan 8.290 nan 0.000 0.544 429 P HA 0.234 nan 4.420 nan 0.000 0.261 429 P C 1.173 178.534 177.300 0.103 0.000 1.268 429 P CA 0.380 63.522 63.100 0.069 0.000 0.833 429 P CB 0.112 31.833 31.700 0.034 0.000 1.231 430 L N -0.353 120.985 121.223 0.193 0.000 2.818 430 L HA 0.216 4.555 4.340 -0.002 0.000 0.243 430 L C 0.296 177.253 176.870 0.145 0.000 1.185 430 L CA -0.310 54.646 54.840 0.193 0.000 0.988 430 L CB 0.515 42.780 42.059 0.343 0.000 1.292 430 L HN -0.295 nan 8.230 nan 0.000 0.519 431 V N 1.370 121.356 119.914 0.119 0.000 2.408 431 V HA 0.238 4.357 4.120 -0.002 0.000 0.267 431 V C -1.841 174.201 176.094 -0.086 0.000 1.047 431 V CA -1.318 61.030 62.300 0.079 0.000 0.937 431 V CB 0.425 32.327 31.823 0.133 0.000 0.999 431 V HN 0.109 nan 8.190 nan 0.000 0.472 432 P HA 0.246 nan 4.420 nan 0.000 0.275 432 P C 0.547 177.740 177.300 -0.178 0.000 1.228 432 P CA -0.646 62.230 63.100 -0.373 0.000 0.786 432 P CB 0.617 31.730 31.700 -0.979 0.000 0.927 433 K N 1.283 121.609 120.400 -0.124 0.000 2.365 433 K HA -0.038 4.281 4.320 -0.002 0.000 0.197 433 K C 0.736 177.304 176.600 -0.054 0.000 1.042 433 K CA 0.113 56.350 56.287 -0.083 0.000 0.987 433 K CB -0.010 32.450 32.500 -0.067 0.000 0.779 433 K HN 0.391 nan 8.250 nan 0.000 0.484 434 Q N 2.354 122.154 119.800 0.001 0.000 2.308 434 Q HA -0.036 4.303 4.340 -0.002 0.000 0.313 434 Q C -0.893 175.097 176.000 -0.017 0.000 1.075 434 Q CA 0.430 56.259 55.803 0.043 0.000 0.995 434 Q CB 0.491 29.338 28.738 0.183 0.000 1.107 434 Q HN 0.144 nan 8.270 nan 0.000 0.380 435 T N 5.124 119.644 114.554 -0.057 0.000 2.901 435 T HA 0.354 4.703 4.350 -0.002 0.000 0.301 435 T C -0.233 174.383 174.700 -0.138 0.000 1.012 435 T CA -0.129 61.904 62.100 -0.111 0.000 1.135 435 T CB 0.249 69.065 68.868 -0.086 0.000 0.936 435 T HN 0.450 nan 8.240 nan 0.000 0.539 436 L N 3.795 124.867 121.223 -0.252 0.000 2.365 436 L HA 0.390 4.729 4.340 -0.002 0.000 0.273 436 L C 0.944 177.616 176.870 -0.330 0.000 1.000 436 L CA -0.863 53.779 54.840 -0.330 0.000 0.819 436 L CB 1.756 43.451 42.059 -0.605 0.000 1.284 436 L HN 0.460 nan 8.230 nan 0.000 0.418 437 L N 3.813 124.954 121.223 -0.137 0.000 2.083 437 L HA -0.130 4.209 4.340 -0.002 0.000 0.209 437 L C 2.024 178.911 176.870 0.029 0.000 1.083 437 L CA 1.797 56.626 54.840 -0.019 0.000 0.752 437 L CB -0.537 41.568 42.059 0.078 0.000 0.899 437 L HN 0.785 nan 8.230 nan 0.000 0.433 438 W N -0.706 120.622 121.300 0.046 0.000 2.848 438 W HA -0.067 4.592 4.660 -0.002 0.000 0.241 438 W C 0.875 177.409 176.519 0.024 0.000 1.289 438 W CA 0.132 57.500 57.345 0.039 0.000 1.396 438 W CB -1.060 28.420 29.460 0.033 0.000 1.138 438 W HN 0.385 nan 8.180 nan 0.000 0.677 439 Q N 0.980 120.546 119.800 -0.390 0.000 2.246 439 Q HA -0.002 4.337 4.340 -0.002 0.000 0.202 439 Q C -0.497 175.441 176.000 -0.103 0.000 0.883 439 Q CA -0.022 55.565 55.803 -0.359 0.000 0.952 439 Q CB -0.172 28.173 28.738 -0.654 0.000 1.078 439 Q HN 0.034 nan 8.270 nan 0.000 0.493 440 D N 1.224 121.630 120.400 0.011 0.000 2.735 440 D HA -0.127 4.512 4.640 -0.002 0.000 0.235 440 D C -2.473 173.871 176.300 0.073 0.000 1.175 440 D CA 0.445 54.528 54.000 0.138 0.000 0.683 440 D CB -0.963 39.962 40.800 0.208 0.000 1.008 440 D HN 0.251 nan 8.370 nan 0.000 0.416 441 P HA 0.070 nan 4.420 nan 0.000 0.264 441 P C -0.270 177.034 177.300 0.007 0.000 1.179 441 P CA -0.145 62.937 63.100 -0.029 0.000 0.763 441 P CB 0.808 32.476 31.700 -0.053 0.000 0.806 442 V N 4.978 124.890 119.914 -0.004 0.000 2.638 442 V HA 0.417 4.536 4.120 -0.002 0.000 0.306 442 V C -2.392 173.700 176.094 -0.004 0.000 1.052 442 V CA -2.424 59.883 62.300 0.011 0.000 0.885 442 V CB 1.882 33.721 31.823 0.027 0.000 0.999 442 V HN 0.448 nan 8.190 nan 0.000 0.424 443 P HA 0.207 nan 4.420 nan 0.000 0.265 443 P C -0.461 176.834 177.300 -0.009 0.000 1.187 443 P CA 0.271 63.367 63.100 -0.006 0.000 0.766 443 P CB 0.444 32.148 31.700 0.006 0.000 0.820 444 A N 3.030 125.838 122.820 -0.020 0.000 2.386 444 A HA 0.247 4.566 4.320 -0.002 0.000 0.248 444 A C 0.026 177.597 177.584 -0.020 0.000 1.082 444 A CA -0.519 51.505 52.037 -0.023 0.000 0.789 444 A CB 0.087 19.067 19.000 -0.033 0.000 1.025 444 A HN 0.408 nan 8.150 nan 0.000 0.490 445 V N 2.482 122.387 119.914 -0.015 0.000 2.540 445 V HA 0.069 4.188 4.120 -0.002 0.000 0.297 445 V C 1.423 177.493 176.094 -0.040 0.000 1.024 445 V CA 1.309 63.605 62.300 -0.007 0.000 1.105 445 V CB 0.584 32.408 31.823 0.001 0.000 0.938 445 V HN 1.132 nan 8.190 nan 0.000 0.482 446 S N 2.876 118.532 115.700 -0.074 0.000 2.505 446 S HA 0.219 4.688 4.470 -0.002 0.000 0.216 446 S C 0.573 174.954 174.600 -0.365 0.000 1.018 446 S CA -0.229 57.840 58.200 -0.218 0.000 0.911 446 S CB 0.229 63.256 63.200 -0.287 0.000 0.818 446 S HN 0.782 nan 8.310 nan 0.000 0.497 447 H N 0.995 120.080 119.070 0.026 0.000 2.824 447 H HA 0.511 5.066 4.556 -0.002 0.000 0.345 447 H C -0.877 174.472 175.328 0.034 0.000 1.252 447 H CA -0.735 55.332 56.048 0.032 0.000 1.246 447 H CB 0.622 30.412 29.762 0.047 0.000 1.908 447 H HN 0.177 nan 8.280 nan 0.000 0.601 448 D N 0.835 121.354 120.400 0.198 0.000 2.357 448 D HA 0.171 4.810 4.640 -0.002 0.000 0.242 448 D C 0.290 176.663 176.300 0.121 0.000 1.153 448 D CA -0.058 54.013 54.000 0.118 0.000 0.918 448 D CB 1.247 42.106 40.800 0.097 0.000 1.181 448 D HN 0.151 nan 8.370 nan 0.000 0.435 449 L N 0.950 122.224 121.223 0.086 0.000 2.343 449 L HA 0.229 4.568 4.340 -0.002 0.000 0.275 449 L C 0.171 177.096 176.870 0.091 0.000 1.056 449 L CA -1.135 53.754 54.840 0.081 0.000 0.804 449 L CB 1.658 43.740 42.059 0.040 0.000 1.203 449 L HN 0.051 nan 8.230 nan 0.000 0.440 450 V N 2.396 122.371 119.914 0.103 0.000 2.681 450 V HA -0.034 4.085 4.120 -0.002 0.000 0.306 450 V C 1.075 177.224 176.094 0.093 0.000 1.077 450 V CA 0.585 62.950 62.300 0.107 0.000 1.224 450 V CB 0.364 32.225 31.823 0.063 0.000 0.879 450 V HN 0.947 nan 8.190 nan 0.000 0.494 451 G N 3.158 112.014 108.800 0.095 0.000 2.532 451 G HA2 0.354 4.313 3.960 -0.002 0.000 0.291 451 G HA3 0.354 4.313 3.960 -0.002 0.000 0.291 451 G C 0.538 175.481 174.900 0.072 0.000 1.349 451 G CA -0.310 44.834 45.100 0.073 0.000 1.038 451 G HN 0.692 nan 8.290 nan 0.000 0.518 452 E N -0.913 119.322 120.200 0.058 0.000 2.418 452 E HA 0.068 4.417 4.350 -0.002 0.000 0.197 452 E C 2.257 178.887 176.600 0.050 0.000 1.026 452 E CA 1.281 57.714 56.400 0.055 0.000 0.862 452 E CB -0.025 29.701 29.700 0.042 0.000 0.799 452 E HN 0.408 nan 8.360 nan 0.000 0.518 453 A N -0.041 122.812 122.820 0.055 0.000 1.901 453 A HA 0.031 4.350 4.320 -0.002 0.000 0.210 453 A C 1.886 179.511 177.584 0.068 0.000 1.208 453 A CA 0.720 52.789 52.037 0.054 0.000 0.644 453 A CB -0.197 18.835 19.000 0.054 0.000 0.863 453 A HN 0.095 nan 8.150 nan 0.000 0.454 454 E N 0.625 120.881 120.200 0.093 0.000 2.077 454 E HA -0.125 4.224 4.350 -0.002 0.000 0.193 454 E C 1.738 178.351 176.600 0.021 0.000 0.989 454 E CA 1.173 57.649 56.400 0.127 0.000 0.800 454 E CB -0.413 29.403 29.700 0.193 0.000 0.746 454 E HN 0.668 nan 8.360 nan 0.000 0.452 455 I N 0.714 121.294 120.570 0.018 0.000 2.091 455 I HA -0.357 3.812 4.170 -0.002 0.000 0.239 455 I C 2.351 178.439 176.117 -0.049 0.000 1.061 455 I CA 1.302 62.590 61.300 -0.020 0.000 1.317 455 I CB -0.516 37.527 38.000 0.071 0.000 1.031 455 I HN 0.127 nan 8.210 nan 0.000 0.401 456 A N 0.038 122.855 122.820 -0.005 0.000 1.873 456 A HA -0.316 4.003 4.320 -0.002 0.000 0.218 456 A C 2.512 180.088 177.584 -0.013 0.000 1.193 456 A CA 2.625 54.657 52.037 -0.008 0.000 0.629 456 A CB -1.103 17.905 19.000 0.013 0.000 0.826 456 A HN 0.461 nan 8.150 nan 0.000 0.447 457 S N -0.533 115.174 115.700 0.012 0.000 2.359 457 S HA -0.150 4.319 4.470 -0.002 0.000 0.224 457 S C 1.967 176.565 174.600 -0.003 0.000 1.035 457 S CA 1.636 59.855 58.200 0.030 0.000 1.018 457 S CB -0.555 62.701 63.200 0.093 0.000 0.876 457 S HN 0.466 nan 8.310 nan 0.000 0.448 458 L N 0.656 121.840 121.223 -0.064 0.000 2.083 458 L HA -0.111 4.228 4.340 -0.002 0.000 0.209 458 L C 2.800 179.589 176.870 -0.135 0.000 1.083 458 L CA 1.477 56.226 54.840 -0.152 0.000 0.752 458 L CB -0.378 41.495 42.059 -0.308 0.000 0.899 458 L HN 0.322 nan 8.230 nan 0.000 0.433 459 K N -0.531 119.794 120.400 -0.125 0.000 2.001 459 K HA -0.117 4.202 4.320 -0.002 0.000 0.208 459 K C 2.270 178.828 176.600 -0.070 0.000 1.048 459 K CA 1.629 57.847 56.287 -0.115 0.000 0.932 459 K CB -0.113 32.325 32.500 -0.103 0.000 0.715 459 K HN 0.137 nan 8.250 nan 0.000 0.437 460 S N 1.409 117.083 115.700 -0.044 0.000 2.402 460 S HA -0.223 4.245 4.470 -0.002 0.000 0.233 460 S C 1.882 176.471 174.600 -0.018 0.000 1.030 460 S CA 1.364 59.550 58.200 -0.023 0.000 1.003 460 S CB -0.226 62.969 63.200 -0.008 0.000 0.813 460 S HN 0.329 nan 8.310 nan 0.000 0.477 461 Q N 0.287 120.076 119.800 -0.018 0.000 2.079 461 Q HA 0.011 4.350 4.340 -0.002 0.000 0.200 461 Q C 2.178 178.168 176.000 -0.017 0.000 0.974 461 Q CA 1.204 57.004 55.803 -0.006 0.000 0.840 461 Q CB -0.287 28.456 28.738 0.009 0.000 0.898 461 Q HN 0.547 nan 8.270 nan 0.000 0.430 462 I N 0.148 120.694 120.570 -0.041 0.000 2.202 462 I HA -0.253 3.916 4.170 -0.002 0.000 0.242 462 I C 2.438 178.536 176.117 -0.032 0.000 1.091 462 I CA 1.004 62.279 61.300 -0.042 0.000 1.368 462 I CB -0.310 37.645 38.000 -0.074 0.000 1.058 462 I HN 0.139 nan 8.210 nan 0.000 0.410 463 R N 0.925 121.403 120.500 -0.037 0.000 2.083 463 R HA -0.174 4.165 4.340 -0.002 0.000 0.237 463 R C 2.390 178.680 176.300 -0.017 0.000 1.137 463 R CA 1.793 57.876 56.100 -0.029 0.000 0.951 463 R CB -0.475 29.807 30.300 -0.030 0.000 0.851 463 R HN 0.381 nan 8.270 nan 0.000 0.434 464 A N 0.863 123.676 122.820 -0.012 0.000 2.066 464 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 464 A C 2.144 179.727 177.584 -0.001 0.000 1.157 464 A CA 1.419 53.453 52.037 -0.005 0.000 0.670 464 A CB -0.458 18.541 19.000 -0.001 0.000 0.804 464 A HN 0.496 nan 8.150 nan 0.000 0.453 465 S N -0.584 115.115 115.700 -0.002 0.000 2.427 465 S HA 0.073 4.542 4.470 -0.002 0.000 0.231 465 S C 1.603 176.207 174.600 0.006 0.000 1.045 465 S CA 2.156 60.359 58.200 0.004 0.000 1.154 465 S CB -0.926 62.276 63.200 0.003 0.000 1.093 465 S HN 1.788 nan 8.310 nan 0.000 0.422 466 G N -0.044 108.758 108.800 0.004 0.000 3.290 466 G HA2 0.093 4.052 3.960 -0.002 0.000 0.220 466 G HA3 0.093 4.052 3.960 -0.002 0.000 0.220 466 G C -0.209 174.695 174.900 0.007 0.000 0.940 466 G CA -0.179 44.925 45.100 0.006 0.000 0.884 466 G HN 0.498 nan 8.290 nan 0.000 0.649 467 L N 2.304 123.531 121.223 0.006 0.000 2.399 467 L HA 0.614 4.953 4.340 -0.002 0.000 0.266 467 L C 1.312 178.185 176.870 0.004 0.000 1.114 467 L CA -0.401 54.444 54.840 0.010 0.000 0.804 467 L CB 1.468 43.535 42.059 0.014 0.000 1.146 467 L HN 0.291 nan 8.230 nan 0.000 0.451 468 T N -1.489 113.069 114.554 0.008 0.000 2.909 468 T HA 0.205 4.554 4.350 -0.002 0.000 0.289 468 T C 1.212 175.912 174.700 -0.001 0.000 1.005 468 T CA -0.887 61.214 62.100 0.002 0.000 1.084 468 T CB 1.563 70.434 68.868 0.005 0.000 0.975 468 T HN 0.260 nan 8.240 nan 0.000 0.509 469 V N 2.249 122.154 119.914 -0.014 0.000 2.380 469 V HA -0.171 3.948 4.120 -0.002 0.000 0.251 469 V C 2.908 178.993 176.094 -0.014 0.000 1.063 469 V CA 2.378 64.661 62.300 -0.028 0.000 1.055 469 V CB -0.961 30.833 31.823 -0.048 0.000 0.657 469 V HN 1.096 nan 8.190 nan 0.000 0.455 470 S N -1.560 114.137 115.700 -0.004 0.000 2.555 470 S HA -0.141 4.328 4.470 -0.002 0.000 0.230 470 S C 1.793 176.416 174.600 0.039 0.000 0.978 470 S CA 1.298 59.505 58.200 0.011 0.000 0.934 470 S CB -0.057 63.147 63.200 0.006 0.000 0.766 470 S HN 0.752 nan 8.310 nan 0.000 0.533 471 Q N -0.383 119.439 119.800 0.037 0.000 2.387 471 Q HA 0.285 4.624 4.340 -0.002 0.000 0.212 471 Q C 2.024 178.065 176.000 0.069 0.000 0.925 471 Q CA 0.444 56.279 55.803 0.054 0.000 0.901 471 Q CB -0.036 28.726 28.738 0.040 0.000 1.020 471 Q HN 0.442 nan 8.270 nan 0.000 0.545 472 L N 0.064 121.316 121.223 0.048 0.000 2.023 472 L HA -0.128 4.211 4.340 -0.002 0.000 0.205 472 L C 2.310 179.245 176.870 0.110 0.000 1.073 472 L CA 0.800 55.672 54.840 0.053 0.000 0.745 472 L CB -0.426 41.639 42.059 0.011 0.000 0.900 472 L HN 0.050 nan 8.230 nan 0.000 0.435 473 V N -1.067 118.899 119.914 0.085 0.000 2.295 473 V HA -0.294 3.825 4.120 -0.002 0.000 0.246 473 V C 2.704 178.989 176.094 0.319 0.000 1.049 473 V CA 2.069 64.456 62.300 0.144 0.000 1.024 473 V CB -0.341 31.473 31.823 -0.014 0.000 0.648 473 V HN 0.418 nan 8.190 nan 0.000 0.447 474 S N -0.695 115.136 115.700 0.218 0.000 2.368 474 S HA -0.208 4.261 4.470 -0.002 0.000 0.225 474 S C 2.091 176.867 174.600 0.294 0.000 1.030 474 S CA 2.278 60.631 58.200 0.256 0.000 0.999 474 S CB -0.329 62.971 63.200 0.166 0.000 0.844 474 S HN 0.712 nan 8.310 nan 0.000 0.459 475 T N 1.871 116.555 114.554 0.217 0.000 2.777 475 T HA 0.073 4.422 4.350 -0.002 0.000 0.266 475 T C 2.071 176.878 174.700 0.177 0.000 1.040 475 T CA 1.169 63.374 62.100 0.175 0.000 1.141 475 T CB -0.619 68.320 68.868 0.118 0.000 0.868 475 T HN 0.485 nan 8.240 nan 0.000 0.444 476 A N 1.385 124.340 122.820 0.225 0.000 1.908 476 A HA -0.134 4.185 4.320 -0.002 0.000 0.218 476 A C 2.157 179.830 177.584 0.149 0.000 1.181 476 A CA 1.349 53.507 52.037 0.201 0.000 0.627 476 A CB -1.038 18.193 19.000 0.386 0.000 0.818 476 A HN 0.744 nan 8.150 nan 0.000 0.445 477 W N 0.679 122.068 121.300 0.148 0.000 2.381 477 W HA -0.121 4.538 4.660 -0.001 0.000 0.301 477 W C 2.291 178.833 176.519 0.040 0.000 1.205 477 W CA 1.818 59.188 57.345 0.041 0.000 1.285 477 W CB -0.349 29.218 29.460 0.178 0.000 1.133 477 W HN 0.428 nan 8.180 nan 0.000 0.521 478 A N 0.949 123.904 122.820 0.225 0.000 1.978 478 A HA -0.106 4.213 4.320 -0.002 0.000 0.220 478 A C 2.144 179.754 177.584 0.042 0.000 1.170 478 A CA 2.687 54.820 52.037 0.160 0.000 0.636 478 A CB -1.127 17.994 19.000 0.203 0.000 0.810 478 A HN 0.309 nan 8.150 nan 0.000 0.448 479 A N -0.358 122.459 122.820 -0.006 0.000 1.843 479 A HA 0.322 4.641 4.320 -0.002 0.000 0.213 479 A C 2.541 180.056 177.584 -0.115 0.000 1.202 479 A CA 1.752 53.768 52.037 -0.036 0.000 0.607 479 A CB -1.194 17.782 19.000 -0.041 0.000 0.847 479 A HN 1.029 nan 8.150 nan 0.000 0.445 480 A N 0.420 123.091 122.820 -0.249 0.000 1.902 480 A HA -0.105 4.214 4.320 -0.002 0.000 0.217 480 A C 2.428 179.753 177.584 -0.430 0.000 1.181 480 A CA 2.392 54.214 52.037 -0.358 0.000 0.623 480 A CB -1.103 17.584 19.000 -0.521 0.000 0.818 480 A HN 1.127 nan 8.150 nan 0.000 0.443 481 S N 0.705 115.980 115.700 -0.708 0.000 2.537 481 S HA -0.114 4.355 4.470 -0.002 0.000 0.240 481 S C 1.730 176.192 174.600 -0.229 0.000 0.981 481 S CA 1.399 59.175 58.200 -0.707 0.000 0.948 481 S CB -0.909 61.616 63.200 -1.124 0.000 0.759 481 S HN 0.903 nan 8.310 nan 0.000 0.531 482 S N 0.341 116.004 115.700 -0.062 0.000 2.507 482 S HA 0.073 4.542 4.470 -0.002 0.000 0.235 482 S C 0.332 175.004 174.600 0.119 0.000 0.988 482 S CA -0.353 57.922 58.200 0.125 0.000 0.944 482 S CB -0.888 62.476 63.200 0.274 0.000 0.762 482 S HN 0.581 nan 8.310 nan 0.000 0.526 483 F N 4.455 124.362 119.950 -0.072 0.000 2.484 483 F HA 0.399 4.924 4.527 -0.002 0.000 0.360 483 F C 0.497 176.265 175.800 -0.053 0.000 1.101 483 F CA -0.918 57.053 58.000 -0.048 0.000 1.251 483 F CB 0.714 39.663 39.000 -0.086 0.000 1.132 483 F HN 0.166 nan 8.300 nan 0.000 0.570 484 R N 4.329 124.308 120.500 -0.868 0.000 2.502 484 R HA 0.463 4.802 4.340 -0.002 0.000 0.300 484 R C 0.254 176.002 176.300 -0.919 0.000 0.984 484 R CA -0.516 55.218 56.100 -0.609 0.000 0.882 484 R CB 1.191 31.303 30.300 -0.313 0.000 1.180 484 R HN 0.796 nan 8.270 nan 0.000 0.444 485 G N 1.570 110.093 108.800 -0.462 0.000 2.625 485 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.214 485 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.214 485 G C 1.067 175.909 174.900 -0.096 0.000 1.132 485 G CA 0.623 45.632 45.100 -0.152 0.000 0.782 485 G HN 0.770 nan 8.290 nan 0.000 0.538 486 S N 2.006 117.623 115.700 -0.138 0.000 2.349 486 S HA -0.166 4.303 4.470 -0.002 0.000 0.216 486 S C 1.697 176.279 174.600 -0.030 0.000 1.033 486 S CA 1.658 59.820 58.200 -0.063 0.000 1.021 486 S CB -0.432 62.722 63.200 -0.075 0.000 0.968 486 S HN 0.428 nan 8.310 nan 0.000 0.426 487 D N 0.042 120.419 120.400 -0.038 0.000 2.363 487 D HA 0.209 4.848 4.640 -0.002 0.000 0.214 487 D C 0.155 176.413 176.300 -0.070 0.000 1.093 487 D CA -0.166 53.839 54.000 0.009 0.000 0.837 487 D CB -0.503 40.398 40.800 0.169 0.000 0.948 487 D HN 0.560 nan 8.370 nan 0.000 0.507 488 K N -0.325 119.971 120.400 -0.172 0.000 3.160 488 K HA -0.207 4.112 4.320 -0.002 0.000 0.280 488 K C -0.121 176.443 176.600 -0.059 0.000 1.154 488 K CA 0.450 56.659 56.287 -0.129 0.000 0.822 488 K CB -1.125 31.396 32.500 0.035 0.000 1.239 488 K HN 0.324 nan 8.250 nan 0.000 0.489 489 R N -0.051 120.333 120.500 -0.193 0.000 2.608 489 R HA 0.603 4.942 4.340 -0.002 0.000 0.255 489 R C 0.869 177.145 176.300 -0.041 0.000 1.086 489 R CA 0.023 56.085 56.100 -0.064 0.000 1.125 489 R CB 1.139 31.379 30.300 -0.100 0.000 1.193 489 R HN 0.292 nan 8.270 nan 0.000 0.553 490 G N -0.716 108.147 108.800 0.107 0.000 2.725 490 G HA2 0.215 4.174 3.960 -0.002 0.000 0.220 490 G HA3 0.215 4.174 3.960 -0.002 0.000 0.220 490 G C -0.098 175.013 174.900 0.352 0.000 1.357 490 G CA -0.475 44.764 45.100 0.232 0.000 0.866 490 G HN 1.142 nan 8.290 nan 0.000 0.548 491 G N -2.932 106.039 108.800 0.283 0.000 2.423 491 G HA2 0.528 4.487 3.960 -0.002 0.000 0.684 491 G HA3 0.528 4.487 3.960 -0.002 0.000 0.684 491 G C 0.759 175.698 174.900 0.065 0.000 1.309 491 G CA 0.901 46.098 45.100 0.161 0.000 0.950 491 G HN 2.410 nan 8.290 nan 0.000 0.587 492 A N -0.322 122.480 122.820 -0.030 0.000 2.132 492 A HA 0.312 4.631 4.320 -0.002 0.000 0.213 492 A C 1.239 178.817 177.584 -0.010 0.000 1.154 492 A CA 1.325 53.336 52.037 -0.043 0.000 0.753 492 A CB -0.253 18.686 19.000 -0.102 0.000 0.826 492 A HN 0.936 nan 8.150 nan 0.000 0.469 493 N N 0.163 118.866 118.700 0.005 0.000 2.458 493 N HA 0.281 5.019 4.740 -0.002 0.000 0.258 493 N C 1.079 176.622 175.510 0.056 0.000 1.219 493 N CA 1.627 54.691 53.050 0.022 0.000 0.902 493 N CB 0.665 39.169 38.487 0.029 0.000 1.076 493 N HN 0.582 nan 8.380 nan 0.000 0.455 494 G N 1.669 110.501 108.800 0.053 0.000 2.218 494 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.216 494 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.216 494 G C 0.759 175.705 174.900 0.077 0.000 0.994 494 G CA 0.242 45.378 45.100 0.059 0.000 0.637 494 G HN 1.357 nan 8.290 nan 0.000 0.505 495 G N 0.119 108.978 108.800 0.098 0.000 2.296 495 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.282 495 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.282 495 G C 0.977 175.989 174.900 0.187 0.000 1.014 495 G CA 1.424 46.657 45.100 0.223 0.000 0.812 495 G HN 0.950 nan 8.290 nan 0.000 0.508 496 R N -0.887 119.629 120.500 0.027 0.000 2.377 496 R HA 0.066 4.405 4.340 -0.002 0.000 0.207 496 R C 2.344 178.566 176.300 -0.131 0.000 1.075 496 R CA 0.775 56.805 56.100 -0.116 0.000 1.035 496 R CB -0.188 29.959 30.300 -0.256 0.000 0.857 496 R HN 0.526 nan 8.270 nan 0.000 0.475 497 I N 1.671 122.247 120.570 0.010 0.000 2.493 497 I HA -0.230 3.939 4.170 -0.002 0.000 0.254 497 I C 2.095 178.216 176.117 0.006 0.000 1.160 497 I CA 1.413 62.715 61.300 0.003 0.000 1.445 497 I CB -0.051 38.000 38.000 0.084 0.000 1.086 497 I HN 0.062 nan 8.210 nan 0.000 0.433 498 R N -0.071 120.460 120.500 0.051 0.000 2.334 498 R HA 0.218 4.557 4.340 -0.002 0.000 0.216 498 R C -0.073 176.134 176.300 -0.154 0.000 0.905 498 R CA -0.050 56.004 56.100 -0.077 0.000 1.064 498 R CB -0.361 29.777 30.300 -0.270 0.000 1.046 498 R HN 0.249 nan 8.270 nan 0.000 0.508 499 L N 1.387 122.504 121.223 -0.176 0.000 2.360 499 L HA 0.244 4.583 4.340 -0.002 0.000 0.271 499 L C 1.116 177.838 176.870 -0.246 0.000 1.057 499 L CA -0.975 53.741 54.840 -0.206 0.000 0.803 499 L CB 1.394 43.318 42.059 -0.226 0.000 1.207 499 L HN -0.014 nan 8.230 nan 0.000 0.445 500 Q N 2.832 122.512 119.800 -0.200 0.000 1.964 500 Q HA -0.244 4.095 4.340 -0.002 0.000 0.239 500 Q C -1.087 174.766 176.000 -0.246 0.000 1.066 500 Q CA 2.900 58.595 55.803 -0.179 0.000 0.907 500 Q CB -1.497 27.171 28.738 -0.117 0.000 1.030 500 Q HN 0.514 nan 8.270 nan 0.000 0.435 501 P HA -0.241 nan 4.420 nan 0.000 0.210 501 P C 1.255 178.060 177.300 -0.824 0.000 1.151 501 P CA 2.540 65.441 63.100 -0.332 0.000 0.949 501 P CB -0.274 31.285 31.700 -0.235 0.000 0.786 502 Q N -0.915 118.175 119.800 -1.184 0.000 2.135 502 Q HA -0.124 4.215 4.340 -0.002 0.000 0.204 502 Q C 2.048 177.644 176.000 -0.672 0.000 0.981 502 Q CA 1.387 56.262 55.803 -1.547 0.000 0.856 502 Q CB -0.802 27.296 28.738 -1.066 0.000 0.902 502 Q HN 0.112 nan 8.270 nan 0.000 0.425 503 V N 0.184 119.862 119.914 -0.395 0.000 2.688 503 V HA -0.185 3.934 4.120 -0.002 0.000 0.256 503 V C 1.939 177.981 176.094 -0.087 0.000 1.084 503 V CA 1.827 64.023 62.300 -0.174 0.000 1.103 503 V CB -0.710 31.033 31.823 -0.133 0.000 0.688 503 V HN 0.519 nan 8.190 nan 0.000 0.480 504 G N -2.326 106.410 108.800 -0.106 0.000 2.719 504 G HA2 -0.043 3.916 3.960 -0.002 0.000 0.211 504 G HA3 -0.043 3.916 3.960 -0.002 0.000 0.211 504 G C 0.175 175.187 174.900 0.185 0.000 1.140 504 G CA -0.462 44.660 45.100 0.037 0.000 0.790 504 G HN 0.401 nan 8.290 nan 0.000 0.529 505 W N 2.152 123.467 121.300 0.024 0.000 2.493 505 W HA 0.139 4.798 4.660 -0.002 0.000 0.337 505 W C 1.286 177.801 176.519 -0.006 0.000 1.234 505 W CA -0.402 56.948 57.345 0.008 0.000 1.286 505 W CB 0.367 29.823 29.460 -0.006 0.000 1.188 505 W HN 0.284 nan 8.180 nan 0.000 0.564 506 E N 2.544 122.858 120.200 0.190 0.000 2.130 506 E HA -0.199 4.150 4.350 -0.002 0.000 0.196 506 E C 1.628 178.210 176.600 -0.029 0.000 0.998 506 E CA 1.888 58.358 56.400 0.116 0.000 0.806 506 E CB -0.128 29.647 29.700 0.126 0.000 0.738 506 E HN 0.252 nan 8.360 nan 0.000 0.459 507 V N 1.491 121.208 119.914 -0.328 0.000 2.332 507 V HA -0.281 3.838 4.120 -0.002 0.000 0.248 507 V C 1.743 177.800 176.094 -0.060 0.000 1.055 507 V CA 2.131 64.048 62.300 -0.637 0.000 1.038 507 V CB -0.713 30.772 31.823 -0.563 0.000 0.651 507 V HN 0.348 nan 8.190 nan 0.000 0.450 508 N N -0.136 118.634 118.700 0.117 0.000 2.521 508 N HA -0.042 4.697 4.740 -0.002 0.000 0.188 508 N C 0.452 176.069 175.510 0.178 0.000 1.146 508 N CA 0.660 53.816 53.050 0.178 0.000 0.893 508 N CB -0.527 38.071 38.487 0.185 0.000 0.975 508 N HN 0.632 nan 8.380 nan 0.000 0.451 509 D N 0.211 120.737 120.400 0.210 0.000 3.218 509 D HA -0.134 4.505 4.640 -0.002 0.000 0.213 509 D C -1.693 174.685 176.300 0.129 0.000 1.192 509 D CA -0.121 54.003 54.000 0.205 0.000 0.940 509 D CB 0.255 41.172 40.800 0.195 0.000 0.841 509 D HN 0.158 nan 8.370 nan 0.000 0.391 510 P HA -0.108 nan 4.420 nan 0.000 0.214 510 P C -0.049 177.289 177.300 0.064 0.000 1.163 510 P CA 1.036 64.183 63.100 0.079 0.000 0.883 510 P CB 0.115 31.858 31.700 0.073 0.000 0.788 511 D N 0.140 120.581 120.400 0.069 0.000 2.542 511 D HA 0.356 4.995 4.640 -0.002 0.000 0.242 511 D C 1.020 177.346 176.300 0.042 0.000 1.207 511 D CA 0.902 54.933 54.000 0.052 0.000 1.172 511 D CB -0.821 40.013 40.800 0.057 0.000 1.126 511 D HN 0.198 nan 8.370 nan 0.000 0.500 512 G N 0.630 109.453 108.800 0.038 0.000 2.404 512 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.253 512 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.253 512 G C -0.195 174.726 174.900 0.035 0.000 1.253 512 G CA -0.706 44.412 45.100 0.031 0.000 0.917 512 G HN 0.123 nan 8.290 nan 0.000 0.480 513 D N 0.215 120.637 120.400 0.036 0.000 2.392 513 D HA -0.047 4.592 4.640 -0.002 0.000 0.228 513 D C 2.421 178.752 176.300 0.052 0.000 1.003 513 D CA 0.364 54.387 54.000 0.040 0.000 0.917 513 D CB 0.324 41.147 40.800 0.038 0.000 0.890 513 D HN 0.163 nan 8.370 nan 0.000 0.532 514 L N 1.386 122.644 121.223 0.059 0.000 2.012 514 L HA -0.200 4.139 4.340 -0.002 0.000 0.210 514 L C 2.131 179.037 176.870 0.061 0.000 1.073 514 L CA 1.700 56.581 54.840 0.069 0.000 0.748 514 L CB -0.252 41.849 42.059 0.070 0.000 0.891 514 L HN -0.169 nan 8.230 nan 0.000 0.431 515 R N 0.315 120.841 120.500 0.043 0.000 2.096 515 R HA -0.231 4.108 4.340 -0.002 0.000 0.229 515 R C 2.249 178.572 176.300 0.038 0.000 1.134 515 R CA 1.874 57.992 56.100 0.031 0.000 0.917 515 R CB -1.175 29.137 30.300 0.020 0.000 0.832 515 R HN 0.478 nan 8.270 nan 0.000 0.430 516 K N 0.796 121.218 120.400 0.035 0.000 2.071 516 K HA -0.194 4.125 4.320 -0.002 0.000 0.217 516 K C 2.043 178.673 176.600 0.049 0.000 1.054 516 K CA 2.272 58.581 56.287 0.036 0.000 0.937 516 K CB -0.205 32.314 32.500 0.032 0.000 0.719 516 K HN 0.014 nan 8.250 nan 0.000 0.454 517 V N 1.529 121.480 119.914 0.061 0.000 2.343 517 V HA -0.257 3.862 4.120 -0.002 0.000 0.247 517 V C 2.378 178.542 176.094 0.117 0.000 1.051 517 V CA 1.880 64.225 62.300 0.076 0.000 1.036 517 V CB -0.310 31.559 31.823 0.076 0.000 0.654 517 V HN 0.351 nan 8.190 nan 0.000 0.451 518 I N -0.172 120.478 120.570 0.133 0.000 2.142 518 I HA -0.287 3.882 4.170 -0.002 0.000 0.240 518 I C 2.743 178.935 176.117 0.124 0.000 1.078 518 I CA 2.076 63.493 61.300 0.195 0.000 1.343 518 I CB -0.422 37.639 38.000 0.103 0.000 1.046 518 I HN 0.254 nan 8.210 nan 0.000 0.405 519 R N 0.569 121.102 120.500 0.056 0.000 2.096 519 R HA -0.152 4.187 4.340 -0.002 0.000 0.235 519 R C 2.102 178.432 176.300 0.050 0.000 1.127 519 R CA 2.044 58.161 56.100 0.030 0.000 0.968 519 R CB -0.266 30.043 30.300 0.015 0.000 0.861 519 R HN 0.236 nan 8.270 nan 0.000 0.440 520 T N 0.877 115.468 114.554 0.063 0.000 2.904 520 T HA 0.009 4.358 4.350 -0.002 0.000 0.267 520 T C 1.689 176.435 174.700 0.076 0.000 1.059 520 T CA 0.899 63.033 62.100 0.057 0.000 1.137 520 T CB 0.009 68.904 68.868 0.045 0.000 0.879 520 T HN 0.154 nan 8.240 nan 0.000 0.467 521 L N 0.639 121.934 121.223 0.120 0.000 2.072 521 L HA -0.028 4.311 4.340 -0.002 0.000 0.205 521 L C 2.698 179.681 176.870 0.188 0.000 1.079 521 L CA 1.280 56.206 54.840 0.144 0.000 0.752 521 L CB -0.416 41.757 42.059 0.189 0.000 0.906 521 L HN 0.301 nan 8.230 nan 0.000 0.436 522 E N 0.085 120.410 120.200 0.207 0.000 2.085 522 E HA -0.259 4.090 4.350 -0.002 0.000 0.194 522 E C 1.919 178.573 176.600 0.091 0.000 0.994 522 E CA 1.193 57.676 56.400 0.138 0.000 0.801 522 E CB -0.078 29.628 29.700 0.010 0.000 0.743 522 E HN 0.505 nan 8.360 nan 0.000 0.453 523 E N 0.223 120.465 120.200 0.070 0.000 2.333 523 E HA -0.144 4.205 4.350 -0.002 0.000 0.198 523 E C 1.841 178.481 176.600 0.066 0.000 1.007 523 E CA 0.601 57.034 56.400 0.054 0.000 0.845 523 E CB 0.039 29.764 29.700 0.041 0.000 0.766 523 E HN 0.362 nan 8.360 nan 0.000 0.507 524 I N 0.170 120.787 120.570 0.078 0.000 2.867 524 I HA -0.144 4.025 4.170 -0.002 0.000 0.265 524 I C 2.597 178.783 176.117 0.114 0.000 1.162 524 I CA 0.348 61.696 61.300 0.079 0.000 1.471 524 I CB -0.096 37.930 38.000 0.043 0.000 1.123 524 I HN 0.074 nan 8.210 nan 0.000 0.440 525 Q N 1.847 121.718 119.800 0.118 0.000 2.050 525 Q HA -0.222 4.117 4.340 -0.002 0.000 0.202 525 Q C 1.880 177.979 176.000 0.166 0.000 0.980 525 Q CA 1.787 57.677 55.803 0.145 0.000 0.840 525 Q CB 0.093 28.925 28.738 0.157 0.000 0.898 525 Q HN 0.503 nan 8.270 nan 0.000 0.424 526 E N 0.277 120.545 120.200 0.112 0.000 2.005 526 E HA -0.214 4.135 4.350 -0.002 0.000 0.198 526 E C 2.096 178.744 176.600 0.080 0.000 1.010 526 E CA 1.275 57.722 56.400 0.079 0.000 0.825 526 E CB -0.344 29.385 29.700 0.048 0.000 0.769 526 E HN 0.315 nan 8.360 nan 0.000 0.456 527 S N 0.295 116.043 115.700 0.079 0.000 2.393 527 S HA -0.288 4.181 4.470 -0.002 0.000 0.234 527 S C 1.827 176.474 174.600 0.078 0.000 1.064 527 S CA 1.882 60.123 58.200 0.068 0.000 1.088 527 S CB -0.458 62.788 63.200 0.077 0.000 0.939 527 S HN 0.379 nan 8.310 nan 0.000 0.448 528 F N 2.361 122.311 119.950 -0.000 0.000 2.128 528 F HA 0.043 4.569 4.527 -0.002 0.000 0.295 528 F C 2.286 178.078 175.800 -0.013 0.000 1.100 528 F CA 1.814 59.811 58.000 -0.004 0.000 1.260 528 F CB -0.461 38.538 39.000 -0.000 0.000 1.009 528 F HN 0.260 nan 8.300 nan 0.000 0.476 529 N N 0.180 118.941 118.700 0.101 0.000 2.207 529 N HA -0.148 4.591 4.740 -0.002 0.000 0.182 529 N C 2.174 177.624 175.510 -0.099 0.000 1.020 529 N CA 1.522 54.564 53.050 -0.014 0.000 0.858 529 N CB -0.566 37.972 38.487 0.085 0.000 0.991 529 N HN 0.426 nan 8.380 nan 0.000 0.427 530 S N 0.607 116.275 115.700 -0.052 0.000 2.370 530 S HA -0.033 4.436 4.470 -0.002 0.000 0.226 530 S C 1.039 175.584 174.600 -0.092 0.000 1.033 530 S CA 0.897 59.064 58.200 -0.056 0.000 1.011 530 S CB -0.139 63.045 63.200 -0.026 0.000 0.852 530 S HN 0.265 nan 8.310 nan 0.000 0.457 531 A N 0.398 123.142 122.820 -0.127 0.000 2.508 531 A HA 0.827 5.146 4.320 -0.002 0.000 0.336 531 A C 0.086 177.518 177.584 -0.252 0.000 1.360 531 A CA -0.155 51.795 52.037 -0.145 0.000 0.841 531 A CB 0.160 19.101 19.000 -0.099 0.000 1.136 531 A HN 1.552 nan 8.150 nan 0.000 0.489 532 A N 3.559 126.224 122.820 -0.258 0.000 1.833 532 A HA 0.432 4.751 4.320 -0.002 0.000 0.235 532 A C -2.360 175.082 177.584 -0.237 0.000 2.559 532 A CA -0.490 51.350 52.037 -0.329 0.000 2.095 532 A CB -1.150 17.428 19.000 -0.703 0.000 0.424 532 A HN 0.496 nan 8.150 nan 0.000 0.957 533 P HA 0.071 nan 4.420 nan 0.000 0.213 533 P C 1.616 178.872 177.300 -0.075 0.000 1.149 533 P CA 2.217 65.258 63.100 -0.097 0.000 0.829 533 P CB 0.162 31.823 31.700 -0.066 0.000 0.548 534 G N -1.069 107.706 108.800 -0.041 0.000 2.243 534 G HA2 -0.415 3.544 3.960 -0.002 0.000 0.276 534 G HA3 -0.415 3.544 3.960 -0.002 0.000 0.276 534 G C 0.892 175.797 174.900 0.009 0.000 0.997 534 G CA 1.184 46.276 45.100 -0.014 0.000 0.693 534 G HN 0.695 nan 8.290 nan 0.000 0.529 535 N N -1.801 116.900 118.700 0.002 0.000 2.936 535 N HA -0.203 4.536 4.740 -0.002 0.000 0.236 535 N C 0.407 175.950 175.510 0.055 0.000 0.930 535 N CA 1.454 54.533 53.050 0.048 0.000 0.966 535 N CB -1.221 37.325 38.487 0.098 0.000 1.090 535 N HN 0.653 nan 8.380 nan 0.000 0.592 536 I N 1.922 122.514 120.570 0.035 0.000 2.363 536 I HA 0.052 4.221 4.170 -0.002 0.000 0.292 536 I C 0.310 176.491 176.117 0.107 0.000 1.075 536 I CA 0.281 61.637 61.300 0.093 0.000 1.333 536 I CB 0.511 38.583 38.000 0.119 0.000 1.415 536 I HN -0.078 nan 8.210 nan 0.000 0.502 537 K N 5.494 125.970 120.400 0.127 0.000 2.385 537 K HA 0.621 4.940 4.320 -0.002 0.000 0.248 537 K C -1.145 175.581 176.600 0.211 0.000 0.955 537 K CA -0.740 55.634 56.287 0.145 0.000 0.816 537 K CB 3.040 35.460 32.500 -0.132 0.000 1.250 537 K HN 0.243 nan 8.250 nan 0.000 0.434 538 V N 0.843 120.890 119.914 0.222 0.000 2.769 538 V HA 0.508 4.627 4.120 -0.002 0.000 0.312 538 V C -0.306 175.852 176.094 0.107 0.000 1.061 538 V CA -0.434 61.926 62.300 0.101 0.000 0.931 538 V CB 2.081 33.845 31.823 -0.098 0.000 1.010 538 V HN 0.986 nan 8.190 nan 0.000 0.433 539 S N 4.585 120.343 115.700 0.097 0.000 2.713 539 S HA 0.389 4.858 4.470 -0.002 0.000 0.283 539 S C 0.687 175.364 174.600 0.129 0.000 1.161 539 S CA -0.099 58.176 58.200 0.125 0.000 0.999 539 S CB 1.217 64.487 63.200 0.118 0.000 1.039 539 S HN 0.841 nan 8.310 nan 0.000 0.548 540 F N 1.847 121.812 119.950 0.024 0.000 2.075 540 F HA 0.058 4.584 4.527 -0.002 0.000 0.297 540 F C 2.494 178.304 175.800 0.017 0.000 1.113 540 F CA 1.808 59.815 58.000 0.011 0.000 1.218 540 F CB -1.165 37.837 39.000 0.004 0.000 0.984 540 F HN 0.768 nan 8.300 nan 0.000 0.472 541 A N 0.386 123.193 122.820 -0.022 0.000 1.915 541 A HA -0.310 4.009 4.320 -0.002 0.000 0.220 541 A C 2.086 179.591 177.584 -0.132 0.000 1.198 541 A CA 2.420 54.391 52.037 -0.110 0.000 0.647 541 A CB -1.313 17.704 19.000 0.029 0.000 0.825 541 A HN 0.529 nan 8.150 nan 0.000 0.456 542 D N -0.744 119.645 120.400 -0.018 0.000 2.117 542 D HA -0.090 4.549 4.640 -0.002 0.000 0.197 542 D C 1.812 178.111 176.300 -0.001 0.000 0.987 542 D CA 1.001 55.079 54.000 0.130 0.000 0.829 542 D CB -0.315 40.639 40.800 0.256 0.000 0.961 542 D HN 0.276 nan 8.370 nan 0.000 0.460 543 L N 0.550 121.679 121.223 -0.156 0.000 2.131 543 L HA -0.136 4.203 4.340 -0.002 0.000 0.210 543 L C 2.434 179.139 176.870 -0.275 0.000 1.092 543 L CA 0.886 55.582 54.840 -0.239 0.000 0.759 543 L CB -0.533 41.408 42.059 -0.198 0.000 0.903 543 L HN -0.082 nan 8.230 nan 0.000 0.435 544 V N -1.675 118.004 119.914 -0.392 0.000 2.295 544 V HA -0.279 3.840 4.120 -0.002 0.000 0.246 544 V C 2.378 178.403 176.094 -0.115 0.000 1.049 544 V CA 1.629 63.738 62.300 -0.319 0.000 1.024 544 V CB -0.442 31.128 31.823 -0.421 0.000 0.648 544 V HN 0.226 nan 8.190 nan 0.000 0.447 545 V N -0.576 119.303 119.914 -0.058 0.000 2.270 545 V HA -0.205 3.914 4.120 -0.002 0.000 0.245 545 V C 2.361 178.483 176.094 0.046 0.000 1.043 545 V CA 1.896 64.240 62.300 0.074 0.000 1.014 545 V CB -0.556 31.372 31.823 0.176 0.000 0.645 545 V HN 0.473 nan 8.190 nan 0.000 0.447 546 L N 1.452 122.548 121.223 -0.212 0.000 2.013 546 L HA -0.112 4.227 4.340 -0.002 0.000 0.212 546 L C 2.395 179.105 176.870 -0.268 0.000 1.073 546 L CA 2.502 56.986 54.840 -0.593 0.000 0.753 546 L CB -1.457 39.981 42.059 -1.035 0.000 0.890 546 L HN 0.315 nan 8.230 nan 0.000 0.432 547 G N -1.291 107.400 108.800 -0.182 0.000 2.469 547 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.220 547 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.220 547 G C 1.518 176.398 174.900 -0.034 0.000 1.136 547 G CA 0.743 45.781 45.100 -0.103 0.000 0.759 547 G HN 0.617 nan 8.290 nan 0.000 0.562 548 G N -0.056 108.780 108.800 0.059 0.000 2.408 548 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.217 548 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.217 548 G C 1.751 176.685 174.900 0.056 0.000 1.150 548 G CA 1.253 46.455 45.100 0.170 0.000 0.776 548 G HN 0.473 nan 8.290 nan 0.000 0.542 549 C N 0.818 120.182 119.300 0.107 0.000 2.456 549 C HA 0.375 4.834 4.460 -0.002 0.000 0.279 549 C C 3.280 178.228 174.990 -0.070 0.000 1.427 549 C CA 0.436 59.482 59.018 0.048 0.000 1.778 549 C CB -0.744 27.059 27.740 0.104 0.000 1.842 549 C HN 0.549 nan 8.230 nan 0.000 0.531 550 A N 0.504 123.270 122.820 -0.091 0.000 1.911 550 A HA 0.357 4.676 4.320 -0.002 0.000 0.212 550 A C 2.340 179.870 177.584 -0.089 0.000 1.189 550 A CA 1.212 53.193 52.037 -0.092 0.000 0.639 550 A CB -0.784 18.155 19.000 -0.101 0.000 0.839 550 A HN 0.458 nan 8.150 nan 0.000 0.449 551 A N 0.251 123.014 122.820 -0.094 0.000 1.940 551 A HA -0.096 4.223 4.320 -0.002 0.000 0.219 551 A C 2.044 179.548 177.584 -0.133 0.000 1.176 551 A CA 1.589 53.568 52.037 -0.097 0.000 0.631 551 A CB -0.609 18.340 19.000 -0.085 0.000 0.814 551 A HN 0.498 nan 8.150 nan 0.000 0.446 552 I N -0.636 119.816 120.570 -0.197 0.000 2.353 552 I HA -0.198 3.970 4.170 -0.002 0.000 0.248 552 I C 2.432 178.471 176.117 -0.130 0.000 1.119 552 I CA 1.182 62.351 61.300 -0.220 0.000 1.417 552 I CB -0.429 37.362 38.000 -0.348 0.000 1.078 552 I HN 0.410 nan 8.210 nan 0.000 0.421 553 E N 1.066 121.207 120.200 -0.099 0.000 2.051 553 E HA -0.281 4.068 4.350 -0.002 0.000 0.192 553 E C 2.097 178.674 176.600 -0.039 0.000 0.991 553 E CA 1.231 57.599 56.400 -0.054 0.000 0.799 553 E CB -0.109 29.566 29.700 -0.042 0.000 0.748 553 E HN 0.384 nan 8.360 nan 0.000 0.449 554 K N 0.956 121.327 120.400 -0.048 0.000 1.985 554 K HA -0.147 4.172 4.320 -0.002 0.000 0.210 554 K C 2.216 178.798 176.600 -0.031 0.000 1.047 554 K CA 1.315 57.581 56.287 -0.034 0.000 0.932 554 K CB -0.214 32.263 32.500 -0.038 0.000 0.716 554 K HN 0.072 nan 8.250 nan 0.000 0.439 555 A N 0.737 123.526 122.820 -0.052 0.000 2.084 555 A HA -0.176 4.143 4.320 -0.002 0.000 0.221 555 A C 2.159 179.727 177.584 -0.026 0.000 1.161 555 A CA 2.043 54.049 52.037 -0.051 0.000 0.653 555 A CB -0.701 18.242 19.000 -0.093 0.000 0.802 555 A HN 0.548 nan 8.150 nan 0.000 0.457 556 A N -0.284 122.524 122.820 -0.020 0.000 1.843 556 A HA -0.040 4.279 4.320 -0.002 0.000 0.213 556 A C 2.063 179.699 177.584 0.087 0.000 1.202 556 A CA 1.558 53.617 52.037 0.037 0.000 0.607 556 A CB -0.455 18.553 19.000 0.014 0.000 0.847 556 A HN 0.463 nan 8.150 nan 0.000 0.445 557 K N 0.024 120.453 120.400 0.049 0.000 2.044 557 K HA -0.128 4.191 4.320 -0.002 0.000 0.210 557 K C 1.664 178.276 176.600 0.019 0.000 1.049 557 K CA 1.277 57.585 56.287 0.036 0.000 0.927 557 K CB -0.397 32.112 32.500 0.014 0.000 0.713 557 K HN 0.416 nan 8.250 nan 0.000 0.443 558 A N 0.200 123.028 122.820 0.013 0.000 2.142 558 A HA 0.125 4.444 4.320 -0.002 0.000 0.208 558 A C 0.888 178.481 177.584 0.016 0.000 1.344 558 A CA 1.131 53.172 52.037 0.007 0.000 1.045 558 A CB -0.504 18.496 19.000 0.000 0.000 0.784 558 A HN 0.318 nan 8.150 nan 0.000 0.509 559 A N -1.720 121.115 122.820 0.026 0.000 2.639 559 A HA 0.492 4.811 4.320 -0.002 0.000 0.221 559 A C 1.048 178.584 177.584 -0.079 0.000 0.879 559 A CA 0.582 52.640 52.037 0.034 0.000 1.189 559 A CB -0.841 18.238 19.000 0.131 0.000 1.231 559 A HN 1.907 nan 8.150 nan 0.000 0.457 560 G N 0.978 109.710 108.800 -0.113 0.000 2.367 560 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.295 560 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.295 560 G C -0.317 174.311 174.900 -0.453 0.000 1.019 560 G CA 0.659 45.620 45.100 -0.232 0.000 1.224 560 G HN 0.927 nan 8.290 nan 0.000 0.510 561 H N 0.025 119.103 119.070 0.012 0.000 2.941 561 H HA 0.126 4.681 4.556 -0.002 0.000 0.291 561 H C -0.182 175.148 175.328 0.004 0.000 1.361 561 H CA -0.882 55.173 56.048 0.013 0.000 1.606 561 H CB 0.340 30.112 29.762 0.016 0.000 1.848 561 H HN 0.308 nan 8.280 nan 0.000 0.601 562 N N 3.293 122.055 118.700 0.103 0.000 2.406 562 N HA 0.111 4.850 4.740 -0.002 0.000 0.269 562 N C 0.116 175.664 175.510 0.064 0.000 1.210 562 N CA 0.388 53.475 53.050 0.062 0.000 0.966 562 N CB 1.067 39.577 38.487 0.038 0.000 1.293 562 N HN 0.562 nan 8.380 nan 0.000 0.491 563 I N 0.684 121.285 120.570 0.052 0.000 3.002 563 I HA 0.375 4.544 4.170 -0.002 0.000 0.310 563 I C -0.363 175.765 176.117 0.018 0.000 1.087 563 I CA -0.695 60.624 61.300 0.032 0.000 1.017 563 I CB 2.102 40.111 38.000 0.016 0.000 1.226 563 I HN 0.271 nan 8.210 nan 0.000 0.443 564 T N 2.394 116.959 114.554 0.017 0.000 2.930 564 T HA 0.478 4.827 4.350 -0.002 0.000 0.313 564 T C -0.636 174.082 174.700 0.030 0.000 1.019 564 T CA -0.616 61.496 62.100 0.020 0.000 1.004 564 T CB 0.663 69.546 68.868 0.025 0.000 0.987 564 T HN 0.200 nan 8.240 nan 0.000 0.456 565 V N 5.326 125.258 119.914 0.031 0.000 2.529 565 V HA 0.245 4.364 4.120 -0.002 0.000 0.292 565 V C -1.830 174.331 176.094 0.112 0.000 1.028 565 V CA -1.292 61.047 62.300 0.065 0.000 1.074 565 V CB -0.007 31.846 31.823 0.050 0.000 0.958 565 V HN 0.743 nan 8.190 nan 0.000 0.481 566 P HA 0.205 nan 4.420 nan 0.000 0.268 566 P C -0.965 176.460 177.300 0.209 0.000 1.205 566 P CA 0.104 63.277 63.100 0.121 0.000 0.771 566 P CB 0.230 31.968 31.700 0.064 0.000 0.858 567 F N 1.888 121.841 119.950 0.005 0.000 2.561 567 F HA 0.447 4.973 4.527 -0.002 0.000 0.313 567 F C -0.987 174.796 175.800 -0.029 0.000 1.126 567 F CA -0.305 57.691 58.000 -0.007 0.000 0.918 567 F CB 1.569 40.566 39.000 -0.005 0.000 1.199 567 F HN 0.069 nan 8.300 nan 0.000 0.444 568 T N 7.681 121.690 114.554 -0.908 0.000 2.842 568 T HA 0.398 4.747 4.350 -0.002 0.000 0.308 568 T C -2.715 171.403 174.700 -0.970 0.000 1.041 568 T CA -1.161 60.510 62.100 -0.716 0.000 0.964 568 T CB 1.297 69.931 68.868 -0.389 0.000 0.972 568 T HN 0.351 nan 8.240 nan 0.000 0.460 569 P HA 0.499 nan 4.420 nan 0.000 0.274 569 P C 0.706 177.872 177.300 -0.223 0.000 1.246 569 P CA -0.045 62.808 63.100 -0.412 0.000 0.795 569 P CB 1.141 32.761 31.700 -0.132 0.000 1.006 570 G N 0.358 109.089 108.800 -0.114 0.000 2.738 570 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.195 570 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.195 570 G C 0.180 175.055 174.900 -0.040 0.000 1.001 570 G CA -0.561 44.497 45.100 -0.070 0.000 0.759 570 G HN 0.509 nan 8.290 nan 0.000 0.494 571 R N 1.635 122.110 120.500 -0.042 0.000 2.590 571 R HA 0.493 4.832 4.340 -0.002 0.000 0.274 571 R C 0.454 176.769 176.300 0.025 0.000 1.061 571 R CA 1.032 57.125 56.100 -0.011 0.000 1.081 571 R CB 0.527 30.819 30.300 -0.013 0.000 0.984 571 R HN 0.389 nan 8.270 nan 0.000 0.448 572 T N -1.905 112.670 114.554 0.035 0.000 2.930 572 T HA 0.290 4.639 4.350 -0.002 0.000 0.290 572 T C -0.624 174.117 174.700 0.069 0.000 1.052 572 T CA -1.191 60.941 62.100 0.053 0.000 1.017 572 T CB 1.882 70.772 68.868 0.037 0.000 1.137 572 T HN 0.321 nan 8.240 nan 0.000 0.511 573 D N 1.349 121.799 120.400 0.083 0.000 2.317 573 D HA 0.529 5.168 4.640 -0.002 0.000 0.234 573 D C 0.313 176.639 176.300 0.043 0.000 1.112 573 D CA -0.197 53.856 54.000 0.089 0.000 0.840 573 D CB 1.562 42.429 40.800 0.112 0.000 1.078 573 D HN 0.841 nan 8.370 nan 0.000 0.486 574 A N 2.312 125.149 122.820 0.029 0.000 2.259 574 A HA 0.580 4.899 4.320 -0.002 0.000 0.278 574 A C 0.459 178.029 177.584 -0.022 0.000 1.107 574 A CA -0.448 51.590 52.037 0.003 0.000 0.828 574 A CB 0.537 19.537 19.000 0.000 0.000 1.111 574 A HN 0.531 nan 8.150 nan 0.000 0.498 575 S N -1.363 114.319 115.700 -0.030 0.000 2.607 575 S HA 0.397 4.866 4.470 -0.002 0.000 0.303 575 S C 0.461 175.027 174.600 -0.057 0.000 1.086 575 S CA -0.360 57.813 58.200 -0.044 0.000 0.995 575 S CB 1.602 64.785 63.200 -0.029 0.000 1.084 575 S HN 0.662 nan 8.310 nan 0.000 0.507 576 Q N 0.741 120.499 119.800 -0.069 0.000 2.197 576 Q HA -0.159 4.180 4.340 -0.002 0.000 0.207 576 Q C 1.311 177.287 176.000 -0.040 0.000 0.984 576 Q CA 2.137 57.895 55.803 -0.074 0.000 0.869 576 Q CB -0.505 28.191 28.738 -0.070 0.000 0.906 576 Q HN 0.846 nan 8.270 nan 0.000 0.426 577 E N 0.037 120.223 120.200 -0.024 0.000 2.150 577 E HA -0.139 4.209 4.350 -0.002 0.000 0.193 577 E C 1.108 177.714 176.600 0.009 0.000 0.985 577 E CA 1.158 57.556 56.400 -0.004 0.000 0.814 577 E CB -0.043 29.654 29.700 -0.004 0.000 0.752 577 E HN 0.523 nan 8.360 nan 0.000 0.466 578 Q N -0.044 119.756 119.800 0.001 0.000 2.253 578 Q HA 0.123 4.462 4.340 -0.002 0.000 0.210 578 Q C -0.485 175.543 176.000 0.046 0.000 0.907 578 Q CA 0.327 56.141 55.803 0.018 0.000 0.948 578 Q CB 0.460 29.201 28.738 0.006 0.000 1.033 578 Q HN -0.032 nan 8.270 nan 0.000 0.471 579 T N 0.845 115.420 114.554 0.035 0.000 3.133 579 T HA 0.023 4.372 4.350 -0.002 0.000 0.368 579 T C -0.895 173.882 174.700 0.129 0.000 1.190 579 T CA -0.689 61.441 62.100 0.051 0.000 1.282 579 T CB 0.665 69.425 68.868 -0.180 0.000 1.042 579 T HN 0.093 nan 8.240 nan 0.000 0.536 580 D N 3.384 123.937 120.400 0.255 0.000 2.383 580 D HA -0.010 4.628 4.640 -0.002 0.000 0.275 580 D C 1.407 177.892 176.300 0.308 0.000 1.344 580 D CA 0.144 54.288 54.000 0.240 0.000 0.984 580 D CB 0.812 41.755 40.800 0.238 0.000 1.104 580 D HN 0.168 nan 8.370 nan 0.000 0.524 581 V N 4.823 124.851 119.914 0.189 0.000 2.252 581 V HA -0.239 3.880 4.120 -0.002 0.000 0.249 581 V C 2.410 178.651 176.094 0.244 0.000 1.056 581 V CA 1.538 63.946 62.300 0.181 0.000 1.022 581 V CB -0.303 31.577 31.823 0.094 0.000 0.641 581 V HN 0.562 nan 8.190 nan 0.000 0.445 582 E N -0.334 119.982 120.200 0.195 0.000 2.204 582 E HA -0.156 4.193 4.350 -0.002 0.000 0.194 582 E C 2.481 179.199 176.600 0.197 0.000 0.989 582 E CA 1.405 57.916 56.400 0.184 0.000 0.824 582 E CB -0.360 29.425 29.700 0.141 0.000 0.756 582 E HN 0.568 nan 8.360 nan 0.000 0.477 583 S N -0.592 115.231 115.700 0.205 0.000 2.402 583 S HA -0.072 4.397 4.470 -0.002 0.000 0.229 583 S C 1.521 176.187 174.600 0.109 0.000 1.021 583 S CA 0.436 58.724 58.200 0.146 0.000 0.974 583 S CB -0.193 63.088 63.200 0.136 0.000 0.800 583 S HN 0.159 nan 8.310 nan 0.000 0.484 584 F N 1.507 121.555 119.950 0.163 0.000 2.811 584 F HA 0.347 4.873 4.527 -0.002 0.000 0.301 584 F C 2.119 178.111 175.800 0.319 0.000 1.151 584 F CA 0.271 58.400 58.000 0.214 0.000 1.412 584 F CB -0.244 38.849 39.000 0.155 0.000 1.113 584 F HN 0.281 nan 8.300 nan 0.000 0.579 585 A N 0.185 123.229 122.820 0.372 0.000 1.858 585 A HA -0.185 4.134 4.320 -0.002 0.000 0.216 585 A C 2.380 180.074 177.584 0.182 0.000 1.190 585 A CA 2.098 54.329 52.037 0.323 0.000 0.617 585 A CB -1.340 17.791 19.000 0.219 0.000 0.827 585 A HN 0.246 nan 8.150 nan 0.000 0.443 586 V N -1.404 118.570 119.914 0.100 0.000 2.439 586 V HA -0.251 3.868 4.120 -0.002 0.000 0.253 586 V C 2.085 178.114 176.094 -0.108 0.000 1.074 586 V CA 2.070 64.358 62.300 -0.020 0.000 1.076 586 V CB -1.199 30.610 31.823 -0.022 0.000 0.664 586 V HN 0.456 nan 8.190 nan 0.000 0.461 587 L N 0.503 121.726 121.223 -0.000 0.000 2.622 587 L HA 0.143 4.482 4.340 -0.002 0.000 0.233 587 L C 1.376 178.021 176.870 -0.375 0.000 1.156 587 L CA 0.501 55.321 54.840 -0.033 0.000 0.866 587 L CB -0.497 41.693 42.059 0.218 0.000 0.980 587 L HN 0.540 nan 8.230 nan 0.000 0.448 588 E N 2.029 121.839 120.200 -0.650 0.000 2.316 588 E HA 0.161 4.510 4.350 -0.002 0.000 0.275 588 E C -2.201 173.946 176.600 -0.755 0.000 1.029 588 E CA -1.919 53.615 56.400 -1.443 0.000 0.871 588 E CB 0.916 29.780 29.700 -1.393 0.000 1.022 588 E HN -0.046 nan 8.360 nan 0.000 0.418 589 P HA 0.101 nan 4.420 nan 0.000 0.276 589 P C -0.649 176.569 177.300 -0.138 0.000 1.243 589 P CA -0.051 62.879 63.100 -0.282 0.000 0.768 589 P CB 0.764 32.361 31.700 -0.171 0.000 0.856 590 K N 1.608 121.977 120.400 -0.051 0.000 2.404 590 K HA 0.466 4.785 4.320 -0.002 0.000 0.194 590 K C 0.200 176.862 176.600 0.102 0.000 1.023 590 K CA 0.053 56.363 56.287 0.038 0.000 1.094 590 K CB 0.389 32.886 32.500 -0.005 0.000 0.841 590 K HN 0.551 nan 8.250 nan 0.000 0.523 591 A N 1.252 124.169 122.820 0.161 0.000 2.571 591 A HA 0.331 4.650 4.320 -0.002 0.000 0.296 591 A C -2.015 175.709 177.584 0.233 0.000 1.005 591 A CA -0.808 51.332 52.037 0.172 0.000 0.682 591 A CB 1.228 20.243 19.000 0.026 0.000 1.292 591 A HN 0.051 nan 8.150 nan 0.000 0.420 592 D N 0.703 121.275 120.400 0.285 0.000 2.634 592 D HA 0.386 5.025 4.640 -0.002 0.000 0.236 592 D C 1.143 177.604 176.300 0.270 0.000 1.323 592 D CA 0.584 54.783 54.000 0.331 0.000 0.884 592 D CB 0.389 41.417 40.800 0.379 0.000 1.496 592 D HN 0.937 nan 8.370 nan 0.000 0.525 593 G N 0.891 109.767 108.800 0.127 0.000 2.532 593 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.222 593 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.222 593 G C 1.183 175.991 174.900 -0.153 0.000 1.102 593 G CA 0.598 45.666 45.100 -0.053 0.000 0.742 593 G HN 0.481 nan 8.290 nan 0.000 0.577 594 F N -0.232 119.748 119.950 0.050 0.000 2.451 594 F HA 0.173 4.699 4.527 -0.002 0.000 0.299 594 F C 2.612 178.292 175.800 -0.200 0.000 1.101 594 F CA 0.807 58.731 58.000 -0.127 0.000 1.436 594 F CB 0.202 39.101 39.000 -0.169 0.000 1.074 594 F HN 0.021 nan 8.300 nan 0.000 0.553 595 R N -0.494 120.080 120.500 0.124 0.000 2.565 595 R HA 0.108 4.447 4.340 -0.002 0.000 0.347 595 R C 0.003 176.399 176.300 0.160 0.000 1.010 595 R CA -0.145 56.028 56.100 0.121 0.000 1.126 595 R CB 0.076 30.515 30.300 0.232 0.000 1.331 595 R HN -0.046 nan 8.270 nan 0.000 0.552 596 N N 1.019 119.773 118.700 0.091 0.000 2.725 596 N HA -0.277 4.462 4.740 -0.002 0.000 0.251 596 N C -1.578 174.034 175.510 0.170 0.000 1.031 596 N CA 0.912 54.011 53.050 0.082 0.000 0.720 596 N CB -0.921 37.593 38.487 0.046 0.000 0.930 596 N HN 0.332 nan 8.380 nan 0.000 0.543 597 Y N 0.319 120.635 120.300 0.027 0.000 2.335 597 Y HA 0.645 5.194 4.550 -0.002 0.000 0.338 597 Y C -0.744 175.107 175.900 -0.081 0.000 0.977 597 Y CA -0.844 57.203 58.100 -0.088 0.000 1.114 597 Y CB 0.991 39.305 38.460 -0.242 0.000 1.182 597 Y HN 0.175 nan 8.280 nan 0.000 0.463 598 L N 6.821 127.511 121.223 -0.887 0.000 2.406 598 L HA 0.633 4.972 4.340 -0.002 0.000 0.270 598 L C -0.066 176.324 176.870 -0.800 0.000 0.982 598 L CA -0.551 53.899 54.840 -0.649 0.000 0.843 598 L CB 1.119 43.017 42.059 -0.267 0.000 1.225 598 L HN 0.922 nan 8.230 nan 0.000 0.412 599 G N 3.018 111.409 108.800 -0.682 0.000 2.488 599 G HA2 0.394 4.353 3.960 -0.002 0.000 0.318 599 G HA3 0.394 4.353 3.960 -0.002 0.000 0.318 599 G C -0.759 174.050 174.900 -0.153 0.000 1.188 599 G CA -0.661 44.235 45.100 -0.341 0.000 0.944 599 G HN 0.660 nan 8.290 nan 0.000 0.495 600 K N -1.333 119.024 120.400 -0.072 0.000 2.219 600 K HA 0.547 4.866 4.320 -0.002 0.000 0.258 600 K C 0.842 177.427 176.600 -0.026 0.000 1.008 600 K CA 0.150 56.411 56.287 -0.043 0.000 0.928 600 K CB 1.007 33.497 32.500 -0.017 0.000 0.983 600 K HN 1.435 nan 8.250 nan 0.000 0.484 601 G N 0.573 109.358 108.800 -0.025 0.000 2.141 601 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.231 601 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.231 601 G C -0.753 174.135 174.900 -0.019 0.000 0.984 601 G CA -0.352 44.738 45.100 -0.016 0.000 0.660 601 G HN 0.674 nan 8.290 nan 0.000 0.525 602 N N 0.645 119.324 118.700 -0.034 0.000 2.499 602 N HA 0.409 5.148 4.740 -0.002 0.000 0.281 602 N C -1.054 174.418 175.510 -0.063 0.000 1.098 602 N CA -1.005 52.022 53.050 -0.038 0.000 0.979 602 N CB 1.624 40.087 38.487 -0.039 0.000 1.121 602 N HN -0.018 nan 8.380 nan 0.000 0.466 603 P HA 0.007 nan 4.420 nan 0.000 0.218 603 P C -0.091 177.107 177.300 -0.171 0.000 1.148 603 P CA 1.208 64.227 63.100 -0.136 0.000 0.822 603 P CB 0.469 32.061 31.700 -0.181 0.000 0.784 604 L N -2.849 118.279 121.223 -0.158 0.000 2.303 604 L HA 0.495 4.834 4.340 -0.002 0.000 0.256 604 L C -2.543 174.266 176.870 -0.102 0.000 1.034 604 L CA -2.842 51.865 54.840 -0.221 0.000 0.832 604 L CB 1.734 43.598 42.059 -0.325 0.000 1.403 604 L HN -0.430 nan 8.230 nan 0.000 0.419 605 P HA 0.031 nan 4.420 nan 0.000 0.269 605 P C 0.108 177.496 177.300 0.147 0.000 1.217 605 P CA 0.027 63.169 63.100 0.071 0.000 0.783 605 P CB 0.661 32.453 31.700 0.153 0.000 0.898 606 A N 2.702 125.573 122.820 0.085 0.000 1.940 606 A HA -0.279 4.040 4.320 -0.002 0.000 0.221 606 A C 1.900 179.514 177.584 0.050 0.000 1.190 606 A CA 2.131 54.200 52.037 0.053 0.000 0.647 606 A CB -1.158 17.859 19.000 0.029 0.000 0.821 606 A HN 0.725 nan 8.150 nan 0.000 0.457 607 E N -0.863 119.362 120.200 0.041 0.000 2.110 607 E HA -0.241 4.108 4.350 -0.002 0.000 0.193 607 E C 1.819 178.340 176.600 -0.132 0.000 0.988 607 E CA 1.669 58.005 56.400 -0.106 0.000 0.804 607 E CB -0.768 28.787 29.700 -0.242 0.000 0.745 607 E HN 0.730 nan 8.360 nan 0.000 0.458 608 Y N 0.772 121.031 120.300 -0.067 0.000 2.242 608 Y HA -0.029 4.520 4.550 -0.002 0.000 0.291 608 Y C 2.657 178.528 175.900 -0.049 0.000 1.137 608 Y CA 1.071 59.133 58.100 -0.063 0.000 1.181 608 Y CB -0.338 38.082 38.460 -0.067 0.000 0.989 608 Y HN -0.043 nan 8.280 nan 0.000 0.527 609 M N -0.786 118.893 119.600 0.131 0.000 2.229 609 M HA -0.118 4.361 4.480 -0.002 0.000 0.264 609 M C 2.190 178.531 176.300 0.067 0.000 1.063 609 M CA 1.062 56.405 55.300 0.072 0.000 1.114 609 M CB -1.092 31.537 32.600 0.048 0.000 1.387 609 M HN 0.403 nan 8.290 nan 0.000 0.420 610 L N 0.502 121.743 121.223 0.031 0.000 2.093 610 L HA -0.105 4.234 4.340 -0.002 0.000 0.208 610 L C 2.072 178.972 176.870 0.049 0.000 1.085 610 L CA 1.643 56.484 54.840 0.001 0.000 0.755 610 L CB -0.677 41.323 42.059 -0.099 0.000 0.904 610 L HN 0.199 nan 8.230 nan 0.000 0.435 611 L N -0.715 120.513 121.223 0.008 0.000 2.027 611 L HA -0.192 4.147 4.340 -0.002 0.000 0.206 611 L C 2.280 179.194 176.870 0.074 0.000 1.074 611 L CA 1.650 56.504 54.840 0.024 0.000 0.745 611 L CB -0.642 41.390 42.059 -0.045 0.000 0.898 611 L HN 0.333 nan 8.230 nan 0.000 0.433 612 D N 0.165 120.604 120.400 0.065 0.000 2.104 612 D HA -0.261 4.378 4.640 -0.002 0.000 0.194 612 D C 2.107 178.459 176.300 0.087 0.000 0.994 612 D CA 1.351 55.384 54.000 0.055 0.000 0.830 612 D CB 0.167 40.986 40.800 0.032 0.000 0.959 612 D HN -0.056 nan 8.370 nan 0.000 0.452 613 K N 0.374 120.860 120.400 0.144 0.000 2.026 613 K HA -0.031 4.288 4.320 -0.002 0.000 0.208 613 K C 1.841 178.589 176.600 0.246 0.000 1.048 613 K CA 1.658 58.069 56.287 0.207 0.000 0.929 613 K CB -0.760 31.947 32.500 0.346 0.000 0.713 613 K HN 0.117 nan 8.250 nan 0.000 0.439 614 A N 0.551 123.582 122.820 0.351 0.000 1.978 614 A HA -0.218 4.101 4.320 -0.002 0.000 0.220 614 A C 2.052 179.744 177.584 0.180 0.000 1.170 614 A CA 2.065 54.304 52.037 0.337 0.000 0.636 614 A CB -0.984 18.257 19.000 0.402 0.000 0.810 614 A HN 0.621 nan 8.150 nan 0.000 0.448 615 N N 0.117 118.897 118.700 0.132 0.000 2.080 615 N HA -0.087 4.652 4.740 -0.002 0.000 0.189 615 N C 1.508 177.062 175.510 0.073 0.000 1.036 615 N CA 1.684 54.786 53.050 0.086 0.000 0.846 615 N CB -0.406 38.112 38.487 0.052 0.000 1.015 615 N HN 0.435 nan 8.380 nan 0.000 0.423 616 L N 0.099 121.354 121.223 0.053 0.000 2.265 616 L HA -0.060 4.279 4.340 -0.002 0.000 0.215 616 L C 1.593 178.499 176.870 0.061 0.000 1.117 616 L CA 0.596 55.446 54.840 0.015 0.000 0.782 616 L CB -0.299 41.742 42.059 -0.030 0.000 0.914 616 L HN 0.316 nan 8.230 nan 0.000 0.441 617 L N -0.356 120.918 121.223 0.084 0.000 2.591 617 L HA 0.015 4.354 4.340 -0.002 0.000 0.228 617 L C 1.193 178.129 176.870 0.111 0.000 1.133 617 L CA 0.601 55.496 54.840 0.093 0.000 0.880 617 L CB -0.632 41.403 42.059 -0.040 0.000 1.033 617 L HN 0.515 nan 8.230 nan 0.000 0.450 618 T N -2.600 112.028 114.554 0.124 0.000 4.358 618 T HA -0.234 4.115 4.350 -0.002 0.000 0.326 618 T C -0.038 174.716 174.700 0.090 0.000 0.793 618 T CA 0.559 62.728 62.100 0.116 0.000 1.973 618 T CB -2.663 66.286 68.868 0.135 0.000 1.915 618 T HN 0.200 nan 8.240 nan 0.000 0.920 619 L N 1.580 122.865 121.223 0.103 0.000 2.379 619 L HA 0.691 5.030 4.340 -0.002 0.000 0.269 619 L C 1.265 178.224 176.870 0.148 0.000 1.084 619 L CA -0.484 54.427 54.840 0.118 0.000 0.802 619 L CB 1.534 43.685 42.059 0.153 0.000 1.175 619 L HN 0.580 nan 8.230 nan 0.000 0.448 620 S N 0.924 116.715 115.700 0.151 0.000 2.707 620 S HA 0.499 4.967 4.470 -0.002 0.000 0.276 620 S C 0.964 175.687 174.600 0.204 0.000 1.179 620 S CA -0.154 58.152 58.200 0.176 0.000 0.992 620 S CB 1.574 64.862 63.200 0.147 0.000 1.030 620 S HN 0.681 nan 8.310 nan 0.000 0.554 621 A N 1.035 123.989 122.820 0.222 0.000 1.865 621 A HA 0.072 4.391 4.320 -0.002 0.000 0.217 621 A C -0.437 177.299 177.584 0.252 0.000 1.191 621 A CA 1.710 53.881 52.037 0.223 0.000 0.623 621 A CB -2.280 16.856 19.000 0.226 0.000 0.826 621 A HN 0.728 nan 8.150 nan 0.000 0.444 622 P HA -0.152 nan 4.420 nan 0.000 0.215 622 P C 1.186 178.634 177.300 0.246 0.000 1.157 622 P CA 1.531 64.800 63.100 0.282 0.000 0.868 622 P CB -0.118 31.728 31.700 0.244 0.000 0.788 623 E N -0.802 119.516 120.200 0.198 0.000 2.058 623 E HA -0.228 4.121 4.350 -0.002 0.000 0.194 623 E C 2.027 178.762 176.600 0.225 0.000 0.997 623 E CA 1.218 57.715 56.400 0.161 0.000 0.801 623 E CB -0.603 29.173 29.700 0.127 0.000 0.746 623 E HN 0.243 nan 8.360 nan 0.000 0.450 624 M N 0.810 120.591 119.600 0.302 0.000 2.067 624 M HA -0.188 4.291 4.480 -0.002 0.000 0.260 624 M C 2.164 178.708 176.300 0.406 0.000 1.069 624 M CA 1.750 57.315 55.300 0.442 0.000 1.117 624 M CB -0.230 32.626 32.600 0.426 0.000 1.334 624 M HN 0.008 nan 8.290 nan 0.000 0.407 625 T N 0.397 115.200 114.554 0.415 0.000 2.580 625 T HA -0.207 4.142 4.350 -0.002 0.000 0.265 625 T C 1.696 176.583 174.700 0.311 0.000 1.063 625 T CA 1.994 64.361 62.100 0.446 0.000 1.170 625 T CB -0.763 68.430 68.868 0.541 0.000 0.863 625 T HN 0.382 nan 8.240 nan 0.000 0.418 626 V N 0.963 120.981 119.914 0.173 0.000 2.453 626 V HA -0.141 3.978 4.120 -0.002 0.000 0.252 626 V C 2.275 178.618 176.094 0.416 0.000 1.068 626 V CA 1.497 63.881 62.300 0.140 0.000 1.070 626 V CB -0.455 31.269 31.823 -0.165 0.000 0.664 626 V HN 0.323 nan 8.190 nan 0.000 0.461 627 L N -0.869 120.534 121.223 0.300 0.000 2.109 627 L HA -0.023 4.316 4.340 -0.002 0.000 0.207 627 L C 2.341 179.335 176.870 0.208 0.000 1.086 627 L CA 1.768 56.794 54.840 0.311 0.000 0.760 627 L CB -0.545 41.681 42.059 0.278 0.000 0.910 627 L HN 0.206 nan 8.230 nan 0.000 0.437 628 V N -0.762 119.149 119.914 -0.006 0.000 2.283 628 V HA -0.131 3.988 4.120 -0.002 0.000 0.243 628 V C 2.523 178.177 176.094 -0.735 0.000 1.039 628 V CA 1.698 63.756 62.300 -0.404 0.000 1.016 628 V CB -1.443 29.959 31.823 -0.701 0.000 0.650 628 V HN 0.522 nan 8.190 nan 0.000 0.449 629 G N -0.097 108.199 108.800 -0.839 0.000 2.462 629 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.220 629 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.220 629 G C 1.516 176.078 174.900 -0.563 0.000 1.121 629 G CA 1.070 45.383 45.100 -1.311 0.000 0.758 629 G HN 0.595 nan 8.290 nan 0.000 0.559 630 G N 0.860 109.626 108.800 -0.057 0.000 2.425 630 G HA2 -0.055 3.904 3.960 -0.002 0.000 0.213 630 G HA3 -0.055 3.904 3.960 -0.002 0.000 0.213 630 G C 1.765 176.493 174.900 -0.288 0.000 1.201 630 G CA 0.550 45.550 45.100 -0.167 0.000 0.799 630 G HN 0.388 nan 8.290 nan 0.000 0.534 631 L N 0.118 121.286 121.223 -0.092 0.000 2.042 631 L HA -0.090 4.249 4.340 -0.002 0.000 0.210 631 L C 3.178 179.903 176.870 -0.242 0.000 1.076 631 L CA 0.823 55.582 54.840 -0.135 0.000 0.749 631 L CB -0.415 41.531 42.059 -0.189 0.000 0.893 631 L HN 0.064 nan 8.230 nan 0.000 0.432 632 R N 0.262 120.526 120.500 -0.393 0.000 2.096 632 R HA -0.157 4.181 4.340 -0.002 0.000 0.240 632 R C 2.205 178.323 176.300 -0.303 0.000 1.139 632 R CA 1.926 57.764 56.100 -0.437 0.000 0.952 632 R CB -1.048 28.769 30.300 -0.806 0.000 0.854 632 R HN 0.491 nan 8.270 nan 0.000 0.436 633 V N -1.718 118.020 119.914 -0.294 0.000 3.217 633 V HA 0.029 4.148 4.120 -0.002 0.000 0.264 633 V C 1.917 177.927 176.094 -0.140 0.000 1.135 633 V CA 1.084 63.273 62.300 -0.184 0.000 1.142 633 V CB -0.461 31.264 31.823 -0.164 0.000 0.754 633 V HN 0.103 nan 8.190 nan 0.000 0.484 634 L N 1.225 122.351 121.223 -0.162 0.000 2.567 634 L HA 0.492 4.831 4.340 -0.002 0.000 0.225 634 L C 1.802 178.624 176.870 -0.080 0.000 1.119 634 L CA 0.683 55.448 54.840 -0.126 0.000 0.871 634 L CB -0.355 41.610 42.059 -0.156 0.000 1.036 634 L HN 0.589 nan 8.230 nan 0.000 0.459 635 G N 0.338 109.089 108.800 -0.081 0.000 2.160 635 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.244 635 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.244 635 G C 0.797 175.684 174.900 -0.022 0.000 1.022 635 G CA 0.293 45.366 45.100 -0.046 0.000 0.741 635 G HN 0.419 nan 8.290 nan 0.000 0.508 636 A N -0.664 122.136 122.820 -0.033 0.000 2.238 636 A HA 0.374 4.692 4.320 -0.002 0.000 0.208 636 A C 1.154 178.759 177.584 0.035 0.000 1.177 636 A CA 0.822 52.867 52.037 0.014 0.000 0.804 636 A CB -0.143 18.855 19.000 -0.003 0.000 0.823 636 A HN 0.593 nan 8.150 nan 0.000 0.482 637 N N -0.440 118.265 118.700 0.009 0.000 2.395 637 N HA 0.118 4.857 4.740 -0.002 0.000 0.246 637 N C -0.232 175.365 175.510 0.145 0.000 1.246 637 N CA 0.162 53.248 53.050 0.060 0.000 0.879 637 N CB -0.024 38.474 38.487 0.019 0.000 1.098 637 N HN 0.400 nan 8.380 nan 0.000 0.444 638 Y N 2.195 122.551 120.300 0.092 0.000 2.650 638 Y HA -0.065 4.484 4.550 -0.002 0.000 0.331 638 Y C 0.560 176.525 175.900 0.109 0.000 1.165 638 Y CA 0.139 58.316 58.100 0.129 0.000 1.473 638 Y CB 0.004 38.607 38.460 0.237 0.000 1.224 638 Y HN 0.620 nan 8.280 nan 0.000 0.533 639 K N 4.490 124.692 120.400 -0.330 0.000 3.129 639 K HA -0.312 4.007 4.320 -0.002 0.000 0.273 639 K C 0.109 176.636 176.600 -0.122 0.000 1.123 639 K CA 0.989 57.080 56.287 -0.327 0.000 0.800 639 K CB -0.901 31.271 32.500 -0.547 0.000 1.238 639 K HN 0.975 nan 8.250 nan 0.000 0.492 640 R N -0.634 119.838 120.500 -0.046 0.000 3.301 640 R HA -0.205 4.134 4.340 -0.002 0.000 0.249 640 R C -0.074 176.225 176.300 -0.001 0.000 0.964 640 R CA 0.798 56.890 56.100 -0.012 0.000 0.653 640 R CB -1.359 28.935 30.300 -0.011 0.000 1.043 640 R HN 0.310 nan 8.270 nan 0.000 0.454 641 L N 0.216 121.446 121.223 0.012 0.000 2.371 641 L HA 0.166 4.505 4.340 -0.002 0.000 0.272 641 L C -0.964 175.932 176.870 0.043 0.000 1.124 641 L CA -1.993 52.868 54.840 0.036 0.000 0.816 641 L CB 0.742 42.840 42.059 0.065 0.000 1.129 641 L HN -0.087 nan 8.230 nan 0.000 0.448 642 P HA -0.018 nan 4.420 nan 0.000 0.234 642 P C -0.002 177.369 177.300 0.118 0.000 1.167 642 P CA 0.582 63.746 63.100 0.107 0.000 0.763 642 P CB 0.121 31.906 31.700 0.142 0.000 0.835 643 L N -0.337 120.939 121.223 0.089 0.000 2.559 643 L HA 0.115 4.454 4.340 -0.002 0.000 0.274 643 L C 1.740 178.547 176.870 -0.104 0.000 1.205 643 L CA 0.545 55.431 54.840 0.076 0.000 0.907 643 L CB -0.869 41.238 42.059 0.080 0.000 1.153 643 L HN 0.224 nan 8.230 nan 0.000 0.490 644 G N 2.620 111.263 108.800 -0.261 0.000 2.196 644 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.268 644 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.268 644 G C 0.377 174.679 174.900 -0.996 0.000 0.975 644 G CA 0.241 44.775 45.100 -0.944 0.000 0.648 644 G HN 0.464 nan 8.290 nan 0.000 0.538 645 V N 1.886 121.543 119.914 -0.428 0.000 1.973 645 V HA 0.270 4.389 4.120 -0.002 0.000 0.255 645 V C 0.689 176.734 176.094 -0.081 0.000 1.605 645 V CA 0.055 62.233 62.300 -0.203 0.000 1.542 645 V CB -0.990 30.823 31.823 -0.017 0.000 1.504 645 V HN 0.338 nan 8.190 nan 0.000 0.505 646 F N 2.130 121.929 119.950 -0.252 0.000 2.652 646 F HA 0.440 4.966 4.527 -0.001 0.000 0.352 646 F C 0.834 176.307 175.800 -0.544 0.000 1.259 646 F CA -0.148 57.308 58.000 -0.908 0.000 1.249 646 F CB 0.353 38.789 39.000 -0.940 0.000 1.628 646 F HN 0.373 nan 8.300 nan 0.000 0.654 647 T N 0.202 114.739 114.554 -0.029 0.000 2.893 647 T HA 0.122 4.471 4.350 -0.002 0.000 0.337 647 T C 0.273 175.173 174.700 0.334 0.000 1.587 647 T CA -0.553 61.644 62.100 0.162 0.000 1.066 647 T CB 1.655 70.560 68.868 0.061 0.000 1.414 647 T HN 0.347 nan 8.240 nan 0.000 0.488 648 E N 1.008 121.367 120.200 0.265 0.000 2.364 648 E HA 0.303 4.652 4.350 -0.002 0.000 0.196 648 E C 0.999 177.668 176.600 0.115 0.000 0.990 648 E CA 0.237 56.754 56.400 0.196 0.000 0.886 648 E CB 0.435 30.225 29.700 0.151 0.000 0.866 648 E HN 0.745 nan 8.360 nan 0.000 0.493 649 A N 1.767 124.643 122.820 0.094 0.000 2.407 649 A HA 0.215 4.534 4.320 -0.002 0.000 0.248 649 A C 1.504 179.115 177.584 0.045 0.000 1.082 649 A CA 0.356 52.427 52.037 0.057 0.000 0.785 649 A CB 0.419 19.445 19.000 0.044 0.000 1.020 649 A HN 0.191 nan 8.150 nan 0.000 0.489 650 S N 1.811 117.529 115.700 0.029 0.000 2.455 650 S HA -0.083 4.386 4.470 -0.002 0.000 0.199 650 S C 0.365 174.967 174.600 0.004 0.000 1.169 650 S CA 1.299 59.511 58.200 0.019 0.000 1.503 650 S CB -0.505 62.703 63.200 0.012 0.000 0.960 650 S HN 0.716 nan 8.310 nan 0.000 0.385 651 E N 1.051 121.247 120.200 -0.006 0.000 3.167 651 E HA 0.514 4.863 4.350 -0.002 0.000 0.212 651 E C -1.247 175.337 176.600 -0.027 0.000 1.143 651 E CA -0.214 56.171 56.400 -0.025 0.000 1.002 651 E CB 1.196 30.881 29.700 -0.027 0.000 1.315 651 E HN 0.336 nan 8.360 nan 0.000 0.422 652 S N 1.970 117.656 115.700 -0.022 0.000 2.526 652 S HA 0.412 4.881 4.470 -0.002 0.000 0.293 652 S C -0.918 173.674 174.600 -0.014 0.000 1.092 652 S CA -0.795 57.401 58.200 -0.007 0.000 0.980 652 S CB 1.008 64.218 63.200 0.017 0.000 1.048 652 S HN 0.360 nan 8.310 nan 0.000 0.483 653 L N 5.752 126.976 121.223 0.001 0.000 2.356 653 L HA 0.502 4.841 4.340 -0.002 0.000 0.282 653 L C 0.237 177.205 176.870 0.164 0.000 1.132 653 L CA 0.553 55.401 54.840 0.014 0.000 0.923 653 L CB -0.177 41.834 42.059 -0.080 0.000 1.278 653 L HN 0.888 nan 8.230 nan 0.000 0.436 654 T N -0.123 114.504 114.554 0.122 0.000 2.887 654 T HA 0.409 4.758 4.350 -0.002 0.000 0.292 654 T C 0.524 175.098 174.700 -0.209 0.000 1.087 654 T CA -0.631 61.516 62.100 0.079 0.000 1.009 654 T CB 1.243 70.140 68.868 0.049 0.000 1.203 654 T HN 0.482 nan 8.240 nan 0.000 0.518 655 N N -0.103 118.439 118.700 -0.262 0.000 2.295 655 N HA 0.031 4.770 4.740 -0.002 0.000 0.221 655 N C 0.028 175.526 175.510 -0.020 0.000 1.129 655 N CA -0.191 52.655 53.050 -0.340 0.000 0.836 655 N CB -0.167 38.176 38.487 -0.240 0.000 1.040 655 N HN 0.525 nan 8.380 nan 0.000 0.494 656 D N 0.888 121.262 120.400 -0.043 0.000 2.239 656 D HA -0.182 4.457 4.640 -0.002 0.000 0.202 656 D C 1.203 177.478 176.300 -0.041 0.000 0.993 656 D CA 0.720 54.714 54.000 -0.010 0.000 0.874 656 D CB -0.266 40.539 40.800 0.009 0.000 0.922 656 D HN 0.332 nan 8.370 nan 0.000 0.464 657 F N 0.573 120.366 119.950 -0.261 0.000 2.075 657 F HA -0.199 4.327 4.527 -0.002 0.000 0.297 657 F C 1.956 177.567 175.800 -0.315 0.000 1.113 657 F CA 1.384 59.162 58.000 -0.370 0.000 1.218 657 F CB -0.524 38.033 39.000 -0.738 0.000 0.984 657 F HN -0.142 nan 8.300 nan 0.000 0.472 658 F N -0.189 119.687 119.950 -0.124 0.000 2.186 658 F HA -0.129 4.397 4.527 -0.002 0.000 0.299 658 F C 2.310 178.015 175.800 -0.159 0.000 1.090 658 F CA 1.158 59.062 58.000 -0.160 0.000 1.307 658 F CB -1.313 37.683 39.000 -0.007 0.000 1.019 658 F HN -0.195 nan 8.300 nan 0.000 0.489 659 V N 0.191 120.140 119.914 0.058 0.000 2.515 659 V HA -0.230 3.889 4.120 -0.002 0.000 0.250 659 V C 2.002 178.059 176.094 -0.062 0.000 1.058 659 V CA 1.726 64.033 62.300 0.012 0.000 1.064 659 V CB -0.574 31.266 31.823 0.028 0.000 0.675 659 V HN 0.379 nan 8.190 nan 0.000 0.461 660 N N -0.075 118.528 118.700 -0.161 0.000 2.333 660 N HA -0.015 4.724 4.740 -0.002 0.000 0.178 660 N C 1.681 176.976 175.510 -0.358 0.000 1.018 660 N CA 0.734 53.637 53.050 -0.244 0.000 0.882 660 N CB -0.089 38.132 38.487 -0.443 0.000 0.984 660 N HN 0.372 nan 8.380 nan 0.000 0.434 661 L N 1.131 122.081 121.223 -0.454 0.000 2.265 661 L HA 0.019 4.358 4.340 -0.002 0.000 0.215 661 L C 1.462 178.226 176.870 -0.175 0.000 1.117 661 L CA 1.248 55.831 54.840 -0.427 0.000 0.782 661 L CB -0.147 41.600 42.059 -0.519 0.000 0.914 661 L HN 0.089 nan 8.230 nan 0.000 0.441 662 L N -0.913 120.244 121.223 -0.111 0.000 2.628 662 L HA 0.145 4.484 4.340 -0.002 0.000 0.229 662 L C 0.334 177.194 176.870 -0.015 0.000 1.137 662 L CA -0.197 54.621 54.840 -0.036 0.000 0.909 662 L CB -0.365 41.689 42.059 -0.008 0.000 1.137 662 L HN 0.130 nan 8.230 nan 0.000 0.470 663 D N 1.307 121.695 120.400 -0.021 0.000 2.348 663 D HA -0.034 4.605 4.640 -0.002 0.000 0.259 663 D C 0.897 177.205 176.300 0.013 0.000 1.296 663 D CA -0.129 53.871 54.000 0.001 0.000 0.931 663 D CB 1.272 42.081 40.800 0.013 0.000 1.067 663 D HN 0.016 nan 8.370 nan 0.000 0.503 664 M N 3.103 122.707 119.600 0.007 0.000 2.686 664 M HA 0.108 4.587 4.480 -0.002 0.000 0.246 664 M C 1.651 177.945 176.300 -0.010 0.000 1.096 664 M CA 0.475 55.779 55.300 0.007 0.000 1.076 664 M CB 0.089 32.691 32.600 0.003 0.000 1.504 664 M HN 0.394 nan 8.290 nan 0.000 0.524 665 G N -0.495 108.293 108.800 -0.020 0.000 3.088 665 G HA2 0.263 4.222 3.960 -0.002 0.000 0.212 665 G HA3 0.263 4.222 3.960 -0.002 0.000 0.212 665 G C 0.289 175.142 174.900 -0.078 0.000 1.173 665 G CA -0.184 44.892 45.100 -0.041 0.000 0.779 665 G HN 0.411 nan 8.290 nan 0.000 0.540 666 I N 0.640 121.153 120.570 -0.095 0.000 2.474 666 I HA 0.285 4.454 4.170 -0.002 0.000 0.294 666 I C -0.602 175.363 176.117 -0.253 0.000 1.005 666 I CA -0.536 60.634 61.300 -0.216 0.000 1.113 666 I CB 2.560 40.399 38.000 -0.268 0.000 1.289 666 I HN -0.213 nan 8.210 nan 0.000 0.436 667 T N 4.454 118.829 114.554 -0.298 0.000 2.756 667 T HA 0.334 4.683 4.350 -0.002 0.000 0.290 667 T C -0.967 173.583 174.700 -0.251 0.000 0.985 667 T CA -0.368 61.623 62.100 -0.181 0.000 0.955 667 T CB 0.330 69.145 68.868 -0.090 0.000 0.930 667 T HN 0.273 nan 8.240 nan 0.000 0.451 668 W N 2.434 123.744 121.300 0.017 0.000 2.365 668 W HA 0.546 5.205 4.660 -0.002 0.000 0.316 668 W C 0.560 177.139 176.519 0.100 0.000 1.164 668 W CA -0.577 56.802 57.345 0.056 0.000 1.204 668 W CB 0.860 30.322 29.460 0.004 0.000 1.213 668 W HN 0.368 nan 8.180 nan 0.000 0.539 669 E N 2.819 123.254 120.200 0.391 0.000 2.321 669 E HA 0.257 4.606 4.350 -0.002 0.000 0.278 669 E C -2.567 174.227 176.600 0.322 0.000 0.902 669 E CA -2.238 54.340 56.400 0.295 0.000 0.758 669 E CB 1.853 31.641 29.700 0.148 0.000 1.213 669 E HN -0.030 nan 8.360 nan 0.000 0.426 670 P HA -0.055 nan 4.420 nan 0.000 0.264 670 P C -0.073 177.208 177.300 -0.032 0.000 1.183 670 P CA 0.370 63.433 63.100 -0.062 0.000 0.763 670 P CB 0.503 32.144 31.700 -0.097 0.000 0.807 671 S N 5.227 120.879 115.700 -0.080 0.000 2.552 671 S HA 0.062 4.531 4.470 -0.002 0.000 0.289 671 S C -0.807 173.777 174.600 -0.025 0.000 1.304 671 S CA -1.104 57.088 58.200 -0.014 0.000 1.063 671 S CB -0.208 62.989 63.200 -0.006 0.000 0.848 671 S HN 0.341 nan 8.310 nan 0.000 0.499 672 P HA -0.146 nan 4.420 nan 0.000 0.215 672 P C 0.260 177.553 177.300 -0.012 0.000 1.163 672 P CA 1.263 64.360 63.100 -0.004 0.000 0.894 672 P CB -0.328 31.374 31.700 0.003 0.000 0.791 673 A N 1.199 124.014 122.820 -0.009 0.000 2.476 673 A HA 0.010 4.329 4.320 -0.002 0.000 0.275 673 A C 0.407 177.975 177.584 -0.027 0.000 1.133 673 A CA -0.007 52.025 52.037 -0.010 0.000 0.797 673 A CB -0.967 18.033 19.000 -0.000 0.000 1.081 673 A HN 0.009 nan 8.150 nan 0.000 0.510 674 D N 2.787 123.169 120.400 -0.030 0.000 2.826 674 D HA -0.027 4.612 4.640 -0.002 0.000 0.229 674 D C 0.173 176.445 176.300 -0.046 0.000 1.091 674 D CA 0.395 54.366 54.000 -0.047 0.000 1.061 674 D CB 0.011 40.791 40.800 -0.034 0.000 1.155 674 D HN 0.570 nan 8.370 nan 0.000 0.450 675 D N 0.230 120.602 120.400 -0.048 0.000 2.722 675 D HA 0.143 4.782 4.640 -0.002 0.000 0.239 675 D C 1.201 177.475 176.300 -0.044 0.000 1.249 675 D CA -0.372 53.609 54.000 -0.031 0.000 0.830 675 D CB -0.442 40.354 40.800 -0.007 0.000 1.025 675 D HN 0.264 nan 8.370 nan 0.000 0.486 676 G N 1.114 109.862 108.800 -0.086 0.000 2.233 676 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.270 676 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.270 676 G C 0.433 175.274 174.900 -0.099 0.000 1.011 676 G CA 1.050 46.093 45.100 -0.096 0.000 0.762 676 G HN 0.758 nan 8.290 nan 0.000 0.511 677 T N -3.049 111.412 114.554 -0.155 0.000 2.940 677 T HA 0.789 5.138 4.350 -0.002 0.000 0.288 677 T C -0.557 174.020 174.700 -0.205 0.000 1.045 677 T CA -1.008 61.077 62.100 -0.026 0.000 1.018 677 T CB 2.384 71.298 68.868 0.076 0.000 1.151 677 T HN 0.357 nan 8.240 nan 0.000 0.529 678 Y N -0.775 119.646 120.300 0.202 0.000 2.605 678 Y HA 0.584 5.133 4.550 -0.002 0.000 0.343 678 Y C 0.075 176.217 175.900 0.404 0.000 1.036 678 Y CA -1.133 57.140 58.100 0.289 0.000 1.065 678 Y CB 2.247 40.902 38.460 0.324 0.000 1.288 678 Y HN 0.617 nan 8.280 nan 0.000 0.481 679 Q N 0.298 120.414 119.800 0.526 0.000 2.365 679 Q HA 0.653 4.992 4.340 -0.002 0.000 0.269 679 Q C -0.685 175.307 176.000 -0.014 0.000 1.061 679 Q CA -1.048 54.921 55.803 0.277 0.000 0.816 679 Q CB 2.612 31.422 28.738 0.119 0.000 1.325 679 Q HN 0.934 nan 8.270 nan 0.000 0.446 680 G N 2.291 110.807 108.800 -0.474 0.000 2.671 680 G HA2 0.378 4.337 3.960 -0.002 0.000 0.318 680 G HA3 0.378 4.337 3.960 -0.002 0.000 0.318 680 G C -0.628 173.940 174.900 -0.553 0.000 1.250 680 G CA -0.457 43.985 45.100 -1.097 0.000 1.028 680 G HN 0.312 nan 8.290 nan 0.000 0.501 681 K N 1.998 122.160 120.400 -0.396 0.000 2.143 681 K HA 0.319 4.638 4.320 -0.002 0.000 0.272 681 K C -0.037 176.407 176.600 -0.260 0.000 1.001 681 K CA -0.793 55.332 56.287 -0.269 0.000 0.915 681 K CB 1.609 34.007 32.500 -0.170 0.000 1.047 681 K HN 0.667 nan 8.250 nan 0.000 0.458 682 D N 0.937 121.198 120.400 -0.231 0.000 2.403 682 D HA 0.030 4.669 4.640 -0.002 0.000 0.278 682 D C 1.246 177.466 176.300 -0.134 0.000 1.230 682 D CA -0.344 53.543 54.000 -0.189 0.000 1.062 682 D CB -0.348 40.335 40.800 -0.194 0.000 1.119 682 D HN 0.475 nan 8.370 nan 0.000 0.557 683 G N -1.000 107.736 108.800 -0.107 0.000 2.418 683 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.217 683 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.217 683 G C 1.438 176.293 174.900 -0.075 0.000 1.158 683 G CA 1.461 46.513 45.100 -0.080 0.000 0.771 683 G HN 0.594 nan 8.290 nan 0.000 0.545 684 S N -0.019 115.632 115.700 -0.081 0.000 2.584 684 S HA 0.276 4.745 4.470 -0.002 0.000 0.240 684 S C 1.916 176.472 174.600 -0.073 0.000 0.975 684 S CA 1.066 59.223 58.200 -0.072 0.000 0.949 684 S CB -0.427 62.728 63.200 -0.075 0.000 0.761 684 S HN 1.642 nan 8.310 nan 0.000 0.536 685 G N 0.514 109.264 108.800 -0.084 0.000 2.159 685 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.256 685 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.256 685 G C -0.052 174.795 174.900 -0.088 0.000 0.977 685 G CA 0.390 45.443 45.100 -0.079 0.000 0.652 685 G HN 0.654 nan 8.290 nan 0.000 0.531 686 K N 0.160 120.495 120.400 -0.109 0.000 2.118 686 K HA 0.560 4.879 4.320 -0.002 0.000 0.267 686 K C 0.639 177.145 176.600 -0.157 0.000 0.991 686 K CA -0.678 55.538 56.287 -0.118 0.000 0.916 686 K CB 1.246 33.673 32.500 -0.121 0.000 1.041 686 K HN -0.000 nan 8.250 nan 0.000 0.455 687 V N 4.764 124.594 119.914 -0.140 0.000 2.439 687 V HA 0.006 4.125 4.120 -0.002 0.000 0.271 687 V C 0.983 176.935 176.094 -0.238 0.000 1.040 687 V CA 0.173 62.377 62.300 -0.160 0.000 1.002 687 V CB 0.840 32.613 31.823 -0.083 0.000 1.000 687 V HN 0.774 nan 8.190 nan 0.000 0.477 688 K N 4.615 124.788 120.400 -0.378 0.000 2.244 688 K HA 0.177 4.495 4.320 -0.002 0.000 0.200 688 K C -0.235 175.910 176.600 -0.759 0.000 1.052 688 K CA 0.551 56.424 56.287 -0.690 0.000 0.980 688 K CB 0.408 32.365 32.500 -0.905 0.000 0.838 688 K HN 0.632 nan 8.250 nan 0.000 0.481 689 W N -0.461 120.757 121.300 -0.138 0.000 3.062 689 W HA 0.418 5.076 4.660 -0.002 0.000 0.336 689 W C -0.919 175.688 176.519 0.148 0.000 1.224 689 W CA -1.046 56.323 57.345 0.040 0.000 1.159 689 W CB 1.439 30.916 29.460 0.028 0.000 1.454 689 W HN -0.124 nan 8.180 nan 0.000 0.569 690 T N -0.673 114.295 114.554 0.691 0.000 2.909 690 T HA 0.913 5.262 4.350 -0.002 0.000 0.299 690 T C -0.556 174.555 174.700 0.685 0.000 1.073 690 T CA -0.655 61.806 62.100 0.600 0.000 0.999 690 T CB 1.916 70.996 68.868 0.353 0.000 1.098 690 T HN 0.957 nan 8.240 nan 0.000 0.477 691 G N 0.566 109.730 108.800 0.608 0.000 2.660 691 G HA2 0.660 4.619 3.960 -0.002 0.000 0.290 691 G HA3 0.660 4.619 3.960 -0.002 0.000 0.290 691 G C -0.726 174.376 174.900 0.337 0.000 1.432 691 G CA -0.389 44.942 45.100 0.384 0.000 0.807 691 G HN 1.202 nan 8.290 nan 0.000 0.485 692 S N -0.786 115.041 115.700 0.211 0.000 2.748 692 S HA 0.482 4.951 4.470 -0.002 0.000 0.299 692 S C 1.230 175.954 174.600 0.205 0.000 1.119 692 S CA -0.735 57.609 58.200 0.240 0.000 0.997 692 S CB 1.852 65.127 63.200 0.125 0.000 1.223 692 S HN 0.619 nan 8.310 nan 0.000 0.541 693 R N -0.402 120.235 120.500 0.228 0.000 2.096 693 R HA -0.026 4.313 4.340 -0.002 0.000 0.235 693 R C 2.083 178.386 176.300 0.005 0.000 1.127 693 R CA 1.288 57.458 56.100 0.117 0.000 0.968 693 R CB -0.999 29.387 30.300 0.142 0.000 0.861 693 R HN 0.481 nan 8.270 nan 0.000 0.440 694 V N 1.746 121.679 119.914 0.032 0.000 2.407 694 V HA -0.247 3.872 4.120 -0.002 0.000 0.248 694 V C 1.701 177.881 176.094 0.142 0.000 1.055 694 V CA 1.850 64.176 62.300 0.043 0.000 1.049 694 V CB -0.404 31.428 31.823 0.015 0.000 0.662 694 V HN 0.327 nan 8.190 nan 0.000 0.455 695 D N -0.078 120.362 120.400 0.065 0.000 2.097 695 D HA -0.113 4.526 4.640 -0.002 0.000 0.197 695 D C 1.986 178.320 176.300 0.058 0.000 0.984 695 D CA 1.098 55.148 54.000 0.084 0.000 0.826 695 D CB -0.014 40.779 40.800 -0.012 0.000 0.973 695 D HN 0.290 nan 8.370 nan 0.000 0.460 696 L N 0.925 122.044 121.223 -0.173 0.000 2.291 696 L HA -0.062 4.277 4.340 -0.002 0.000 0.214 696 L C 2.342 179.068 176.870 -0.239 0.000 1.120 696 L CA 0.641 55.248 54.840 -0.389 0.000 0.799 696 L CB -0.589 41.021 42.059 -0.749 0.000 0.925 696 L HN -0.094 nan 8.230 nan 0.000 0.446 697 V N -0.895 118.931 119.914 -0.147 0.000 2.469 697 V HA -0.297 3.822 4.120 -0.002 0.000 0.251 697 V C 2.191 178.156 176.094 -0.216 0.000 1.064 697 V CA 1.719 63.889 62.300 -0.216 0.000 1.066 697 V CB -0.379 31.269 31.823 -0.293 0.000 0.667 697 V HN 0.363 nan 8.190 nan 0.000 0.461 698 F N 0.808 120.687 119.950 -0.119 0.000 2.604 698 F HA 0.159 4.684 4.527 -0.002 0.000 0.298 698 F C 2.084 177.835 175.800 -0.081 0.000 1.131 698 F CA 1.112 59.081 58.000 -0.051 0.000 1.457 698 F CB -0.453 38.570 39.000 0.039 0.000 1.095 698 F HN 0.308 nan 8.300 nan 0.000 0.574 699 G N -2.329 106.463 108.800 -0.014 0.000 3.192 699 G HA2 0.029 3.988 3.960 -0.002 0.000 0.239 699 G HA3 0.029 3.988 3.960 -0.002 0.000 0.239 699 G C 1.413 176.243 174.900 -0.117 0.000 1.084 699 G CA 0.661 45.711 45.100 -0.082 0.000 0.784 699 G HN 0.300 nan 8.290 nan 0.000 0.540 700 S N 0.040 115.653 115.700 -0.146 0.000 2.566 700 S HA 0.112 4.581 4.470 -0.002 0.000 0.234 700 S C 0.878 175.388 174.600 -0.150 0.000 1.075 700 S CA -0.340 57.767 58.200 -0.154 0.000 0.926 700 S CB -0.232 62.856 63.200 -0.187 0.000 0.811 700 S HN 0.237 nan 8.310 nan 0.000 0.518 701 N N 2.196 120.794 118.700 -0.170 0.000 2.438 701 N HA 0.023 4.762 4.740 -0.002 0.000 0.267 701 N C 1.210 176.642 175.510 -0.131 0.000 1.222 701 N CA 0.674 53.618 53.050 -0.177 0.000 0.930 701 N CB 1.354 39.706 38.487 -0.225 0.000 1.083 701 N HN 0.507 nan 8.380 nan 0.000 0.476 702 S N 3.405 119.025 115.700 -0.133 0.000 2.402 702 S HA -0.186 4.283 4.470 -0.002 0.000 0.233 702 S C 1.203 175.765 174.600 -0.063 0.000 1.030 702 S CA 1.187 59.327 58.200 -0.100 0.000 1.003 702 S CB -0.122 63.004 63.200 -0.124 0.000 0.813 702 S HN 0.723 nan 8.310 nan 0.000 0.477 703 E N 0.882 121.043 120.200 -0.064 0.000 2.170 703 E HA 0.170 4.519 4.350 -0.002 0.000 0.191 703 E C 2.028 178.631 176.600 0.004 0.000 0.981 703 E CA 0.692 57.079 56.400 -0.022 0.000 0.830 703 E CB -0.183 29.508 29.700 -0.015 0.000 0.775 703 E HN 0.490 nan 8.360 nan 0.000 0.470 704 L N 0.485 121.690 121.223 -0.031 0.000 2.131 704 L HA -0.025 4.314 4.340 -0.002 0.000 0.206 704 L C 2.663 179.601 176.870 0.113 0.000 1.087 704 L CA 0.651 55.502 54.840 0.020 0.000 0.767 704 L CB -0.259 41.697 42.059 -0.172 0.000 0.917 704 L HN 0.030 nan 8.230 nan 0.000 0.441 705 R N 0.596 121.125 120.500 0.049 0.000 2.127 705 R HA -0.203 4.136 4.340 -0.002 0.000 0.238 705 R C 2.272 178.620 176.300 0.079 0.000 1.134 705 R CA 1.401 57.542 56.100 0.070 0.000 0.975 705 R CB -0.178 30.125 30.300 0.005 0.000 0.865 705 R HN 0.361 nan 8.270 nan 0.000 0.447 706 A N 1.038 123.889 122.820 0.052 0.000 1.877 706 A HA -0.152 4.167 4.320 -0.002 0.000 0.216 706 A C 2.176 179.797 177.584 0.061 0.000 1.186 706 A CA 1.249 53.309 52.037 0.039 0.000 0.620 706 A CB -0.521 18.492 19.000 0.022 0.000 0.822 706 A HN 0.327 nan 8.150 nan 0.000 0.443 707 L N -0.462 120.835 121.223 0.122 0.000 2.046 707 L HA -0.163 4.176 4.340 -0.002 0.000 0.208 707 L C 2.529 179.531 176.870 0.220 0.000 1.077 707 L CA 1.137 56.080 54.840 0.172 0.000 0.747 707 L CB -0.700 41.536 42.059 0.296 0.000 0.896 707 L HN 0.249 nan 8.230 nan 0.000 0.432 708 V N -0.034 120.064 119.914 0.307 0.000 2.332 708 V HA -0.292 3.827 4.120 -0.002 0.000 0.248 708 V C 2.199 178.405 176.094 0.186 0.000 1.055 708 V CA 1.862 64.393 62.300 0.384 0.000 1.038 708 V CB -0.622 31.430 31.823 0.381 0.000 0.651 708 V HN 0.484 nan 8.190 nan 0.000 0.450 709 E N -0.409 119.848 120.200 0.095 0.000 2.463 709 E HA -0.113 4.236 4.350 -0.002 0.000 0.201 709 E C 2.000 178.576 176.600 -0.040 0.000 1.045 709 E CA 0.772 57.189 56.400 0.028 0.000 0.872 709 E CB 0.028 29.735 29.700 0.012 0.000 0.797 709 E HN 0.502 nan 8.360 nan 0.000 0.538 710 V N -0.389 119.458 119.914 -0.112 0.000 2.492 710 V HA -0.147 3.972 4.120 -0.002 0.000 0.241 710 V C 1.341 177.215 176.094 -0.365 0.000 1.041 710 V CA 1.157 63.291 62.300 -0.277 0.000 1.057 710 V CB -0.256 31.299 31.823 -0.448 0.000 0.711 710 V HN 0.273 nan 8.190 nan 0.000 0.468 711 Y N 0.783 120.960 120.300 -0.206 0.000 2.583 711 Y HA 0.160 4.709 4.550 -0.002 0.000 0.293 711 Y C 2.239 177.975 175.900 -0.273 0.000 1.157 711 Y CA 0.750 58.619 58.100 -0.385 0.000 1.315 711 Y CB -0.140 37.709 38.460 -1.018 0.000 1.021 711 Y HN 0.309 nan 8.280 nan 0.000 0.536 712 G N -0.420 108.382 108.800 0.003 0.000 3.088 712 G HA2 0.329 4.288 3.960 -0.002 0.000 0.217 712 G HA3 0.329 4.288 3.960 -0.002 0.000 0.217 712 G C 0.660 175.580 174.900 0.032 0.000 1.159 712 G CA 0.302 45.447 45.100 0.076 0.000 0.760 712 G HN 0.299 nan 8.290 nan 0.000 0.550 713 A N 0.481 123.300 122.820 -0.001 0.000 2.296 713 A HA 0.426 4.745 4.320 -0.002 0.000 0.264 713 A C 1.035 178.628 177.584 0.014 0.000 1.097 713 A CA -0.072 51.964 52.037 -0.002 0.000 0.811 713 A CB 0.468 19.453 19.000 -0.024 0.000 1.072 713 A HN 0.097 nan 8.150 nan 0.000 0.495 714 D N -0.163 120.246 120.400 0.015 0.000 2.312 714 D HA -0.076 4.563 4.640 -0.002 0.000 0.211 714 D C 0.686 177.005 176.300 0.031 0.000 0.964 714 D CA 1.407 55.422 54.000 0.025 0.000 0.877 714 D CB 0.063 40.874 40.800 0.019 0.000 0.924 714 D HN 0.701 nan 8.370 nan 0.000 0.515 715 D N -0.331 120.082 120.400 0.022 0.000 2.398 715 D HA 0.122 4.761 4.640 -0.002 0.000 0.210 715 D C 1.237 177.558 176.300 0.035 0.000 1.094 715 D CA -0.092 53.924 54.000 0.026 0.000 0.839 715 D CB 0.017 40.824 40.800 0.011 0.000 0.963 715 D HN 0.025 nan 8.370 nan 0.000 0.506 716 A N 0.117 122.960 122.820 0.039 0.000 2.308 716 A HA 0.051 4.370 4.320 -0.002 0.000 0.217 716 A C 1.987 179.659 177.584 0.147 0.000 1.216 716 A CA 0.208 52.281 52.037 0.061 0.000 0.864 716 A CB -0.073 18.928 19.000 0.003 0.000 0.902 716 A HN 0.107 nan 8.150 nan 0.000 0.499 717 Q N 1.707 121.596 119.800 0.148 0.000 2.014 717 Q HA -0.128 4.211 4.340 -0.002 0.000 0.207 717 Q C -0.731 175.386 176.000 0.194 0.000 0.993 717 Q CA 2.842 58.772 55.803 0.211 0.000 0.850 717 Q CB -1.144 27.725 28.738 0.218 0.000 0.916 717 Q HN 0.471 nan 8.270 nan 0.000 0.417 718 P HA -0.162 nan 4.420 nan 0.000 0.220 718 P C 0.741 178.071 177.300 0.050 0.000 1.148 718 P CA 1.577 64.724 63.100 0.078 0.000 0.803 718 P CB -0.078 31.691 31.700 0.116 0.000 0.782 719 K N -0.741 119.725 120.400 0.110 0.000 2.062 719 K HA -0.135 4.184 4.320 -0.002 0.000 0.205 719 K C 2.116 178.839 176.600 0.205 0.000 1.051 719 K CA 0.784 57.151 56.287 0.134 0.000 0.941 719 K CB -0.590 31.986 32.500 0.127 0.000 0.719 719 K HN -0.102 nan 8.250 nan 0.000 0.440 720 F N 1.556 121.593 119.950 0.144 0.000 2.091 720 F HA -0.234 4.292 4.527 -0.002 0.000 0.299 720 F C 1.666 177.489 175.800 0.038 0.000 1.103 720 F CA 1.531 59.582 58.000 0.084 0.000 1.228 720 F CB -0.578 38.443 39.000 0.035 0.000 0.984 720 F HN -0.183 nan 8.300 nan 0.000 0.477 721 V N 0.731 120.456 119.914 -0.316 0.000 2.295 721 V HA -0.341 3.778 4.120 -0.002 0.000 0.246 721 V C 2.496 178.455 176.094 -0.224 0.000 1.049 721 V CA 2.278 64.328 62.300 -0.417 0.000 1.024 721 V CB -1.076 30.521 31.823 -0.377 0.000 0.648 721 V HN 0.509 nan 8.190 nan 0.000 0.447 722 Q N -0.224 119.505 119.800 -0.119 0.000 2.096 722 Q HA -0.270 4.069 4.340 -0.002 0.000 0.204 722 Q C 1.942 177.922 176.000 -0.033 0.000 0.982 722 Q CA 2.255 58.029 55.803 -0.048 0.000 0.850 722 Q CB -0.127 28.608 28.738 -0.007 0.000 0.901 722 Q HN 0.638 nan 8.270 nan 0.000 0.422 723 D N -0.383 120.004 120.400 -0.021 0.000 2.123 723 D HA -0.130 4.509 4.640 -0.002 0.000 0.200 723 D C 1.508 177.764 176.300 -0.072 0.000 0.976 723 D CA 0.767 54.766 54.000 -0.001 0.000 0.831 723 D CB -0.393 40.468 40.800 0.101 0.000 0.974 723 D HN 0.259 nan 8.370 nan 0.000 0.469 724 F N 1.636 121.374 119.950 -0.354 0.000 2.069 724 F HA -0.261 4.265 4.527 -0.002 0.000 0.298 724 F C 2.194 177.931 175.800 -0.105 0.000 1.113 724 F CA 1.215 59.013 58.000 -0.338 0.000 1.214 724 F CB -0.381 38.185 39.000 -0.724 0.000 0.978 724 F HN -0.207 nan 8.300 nan 0.000 0.474 725 V N 0.738 120.633 119.914 -0.032 0.000 2.287 725 V HA -0.365 3.754 4.120 -0.002 0.000 0.248 725 V C 2.779 178.874 176.094 0.002 0.000 1.053 725 V CA 1.982 64.285 62.300 0.005 0.000 1.027 725 V CB -1.743 30.096 31.823 0.026 0.000 0.646 725 V HN 0.526 nan 8.190 nan 0.000 0.447 726 A N 0.002 122.806 122.820 -0.026 0.000 1.892 726 A HA -0.198 4.121 4.320 -0.002 0.000 0.218 726 A C 2.385 179.938 177.584 -0.051 0.000 1.188 726 A CA 2.492 54.516 52.037 -0.023 0.000 0.631 726 A CB -0.851 18.141 19.000 -0.013 0.000 0.822 726 A HN 0.630 nan 8.150 nan 0.000 0.447 727 A N -1.806 120.962 122.820 -0.087 0.000 2.014 727 A HA -0.096 4.222 4.320 -0.002 0.000 0.218 727 A C 2.040 179.542 177.584 -0.136 0.000 1.163 727 A CA 1.173 53.151 52.037 -0.100 0.000 0.652 727 A CB -0.718 18.228 19.000 -0.089 0.000 0.808 727 A HN 0.882 nan 8.150 nan 0.000 0.449 728 W N 1.045 122.122 121.300 -0.371 0.000 2.409 728 W HA -0.155 4.504 4.660 -0.002 0.000 0.299 728 W C 1.340 177.761 176.519 -0.162 0.000 1.203 728 W CA 1.939 59.093 57.345 -0.318 0.000 1.298 728 W CB -0.338 28.848 29.460 -0.457 0.000 1.127 728 W HN 0.498 nan 8.180 nan 0.000 0.528 729 D N 0.638 121.017 120.400 -0.036 0.000 2.144 729 D HA -0.232 4.407 4.640 -0.002 0.000 0.199 729 D C 2.209 178.380 176.300 -0.215 0.000 0.984 729 D CA 1.932 55.881 54.000 -0.085 0.000 0.834 729 D CB -0.278 40.523 40.800 0.001 0.000 0.955 729 D HN 0.086 nan 8.370 nan 0.000 0.465 730 K N -0.148 120.132 120.400 -0.201 0.000 2.026 730 K HA -0.115 4.204 4.320 -0.002 0.000 0.208 730 K C 1.972 178.375 176.600 -0.328 0.000 1.048 730 K CA 1.307 57.458 56.287 -0.226 0.000 0.929 730 K CB -0.102 32.304 32.500 -0.156 0.000 0.713 730 K HN 0.032 nan 8.250 nan 0.000 0.439 731 V N 1.609 121.293 119.914 -0.382 0.000 2.343 731 V HA -0.270 3.849 4.120 -0.002 0.000 0.247 731 V C 2.459 178.213 176.094 -0.568 0.000 1.051 731 V CA 1.498 63.500 62.300 -0.498 0.000 1.036 731 V CB -0.398 31.072 31.823 -0.588 0.000 0.654 731 V HN 0.415 nan 8.190 nan 0.000 0.451 732 M N 0.138 119.380 119.600 -0.598 0.000 2.279 732 M HA -0.082 4.397 4.480 -0.002 0.000 0.264 732 M C 1.545 177.621 176.300 -0.374 0.000 1.062 732 M CA 1.378 56.386 55.300 -0.487 0.000 1.099 732 M CB -1.143 31.210 32.600 -0.411 0.000 1.394 732 M HN 0.417 nan 8.290 nan 0.000 0.426 733 N N 0.060 118.531 118.700 -0.382 0.000 2.236 733 N HA 0.171 4.910 4.740 -0.002 0.000 0.196 733 N C 1.715 176.921 175.510 -0.507 0.000 1.114 733 N CA 0.085 52.908 53.050 -0.379 0.000 0.859 733 N CB 0.321 38.618 38.487 -0.317 0.000 0.982 733 N HN 0.338 nan 8.380 nan 0.000 0.493 734 L N 1.397 122.251 121.223 -0.615 0.000 2.054 734 L HA -0.269 4.070 4.340 -0.002 0.000 0.220 734 L C 1.739 177.937 176.870 -1.120 0.000 1.081 734 L CA 1.826 56.095 54.840 -0.951 0.000 0.780 734 L CB -0.466 40.827 42.059 -1.277 0.000 0.893 734 L HN 0.241 nan 8.230 nan 0.000 0.438 735 D N -1.111 118.825 120.400 -0.774 0.000 2.340 735 D HA -0.095 4.544 4.640 -0.002 0.000 0.220 735 D C 0.966 177.147 176.300 -0.200 0.000 1.039 735 D CA 0.075 53.900 54.000 -0.292 0.000 0.866 735 D CB -0.175 40.637 40.800 0.019 0.000 0.913 735 D HN 0.146 nan 8.370 nan 0.000 0.523 736 R N 0.913 121.175 120.500 -0.396 0.000 4.860 736 R HA 0.115 4.454 4.340 -0.002 0.000 0.191 736 R C 0.196 176.332 176.300 -0.273 0.000 1.936 736 R CA -0.297 55.643 56.100 -0.268 0.000 1.609 736 R CB -1.533 28.604 30.300 -0.271 0.000 1.392 736 R HN 0.247 nan 8.270 nan 0.000 0.844 737 F N 0.793 120.710 119.950 -0.054 0.000 2.699 737 F HA -0.114 4.412 4.527 -0.002 0.000 0.298 737 F C 2.001 177.789 175.800 -0.020 0.000 1.154 737 F CA 0.799 58.786 58.000 -0.022 0.000 1.457 737 F CB 0.030 39.043 39.000 0.022 0.000 1.106 737 F HN 0.257 nan 8.300 nan 0.000 0.585 738 D N 0.467 120.932 120.400 0.108 0.000 2.269 738 D HA -0.105 4.533 4.640 -0.002 0.000 0.208 738 D C 1.519 177.822 176.300 0.005 0.000 0.963 738 D CA 1.407 55.438 54.000 0.052 0.000 0.864 738 D CB -0.613 40.200 40.800 0.023 0.000 0.936 738 D HN 0.340 nan 8.370 nan 0.000 0.505 739 V N -2.157 117.737 119.914 -0.034 0.000 3.427 739 V HA 0.392 4.511 4.120 -0.002 0.000 0.305 739 V C 0.644 176.704 176.094 -0.057 0.000 1.412 739 V CA -0.584 61.681 62.300 -0.058 0.000 1.086 739 V CB -0.849 30.915 31.823 -0.099 0.000 0.964 739 V HN 0.186 nan 8.190 nan 0.000 0.439 740 R N 0.000 120.477 120.500 -0.038 0.000 2.786 740 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 740 R CA 0.000 56.082 56.100 -0.030 0.000 0.921 740 R CB 0.000 30.249 30.300 -0.085 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535