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 1ggt_1_B DATA FIRST_RESID 8 DATA SEQUENCE FGGRRAVPPN NSNAAEDDLP TVEXXXXXXX XXXXXEFLNV TSVHLFKERW DATA SEQUENCE DTNKVDHHTD KYENNKLIVR RGQSFYVQID FSRPYDPRRD LFRVEYVIGR DATA SEQUENCE YPQENKGTYI PVPIVSELQS GKWGAKIVMR EDRSVRLSIQ SSPKCIVGKF DATA SEQUENCE RMYVAVWTPY GVLRTSRNPE TDTYILFNPW CEDDAVYLDN EKEREEYVLN DATA SEQUENCE DIGVIFYGEV NDIKTRSWSY GQFEDGILDT CLYVMDRAQM DLSGRGNPIK DATA SEQUENCE VSRVGSAMVN AKDDEGVLVG SWDNIYAYGV PPSAWTGSVD ILLEYRSSEN DATA SEQUENCE PVRYGQCWVF AGVFNTFLRC LGIPARIVTN YFSAHDNDAN LQMDIFLEED DATA SEQUENCE GNVNSKLTKD SVWNYHCWNE AWMTRPDLPV GFGGWQAVDS TPQENSDGMY DATA SEQUENCE RCGPASVQAI KHGHVCFQFD APFVFAEVNS DLIYITAKKD GTHVVENVDA DATA SEQUENCE THIGKLIVTK QIGGDGMMDI TDTYKFQEGQ EEERLALETA LMYGAKKPLN DATA SEQUENCE TEGVMKSRSN VDMDFEVENA VLGKDFKLSI TFRNNSHNRY TITAYLSANI DATA SEQUENCE TFYTGVPKAE FKKETFDVTL EPLSFKKEAV LIQAGEYMGQ LLEQASLHFF DATA SEQUENCE VTARINETRD VLAKQKSTVL TIPEIIIKVR GTQVVGSDMT VTVEFTNPLK DATA SEQUENCE ETLRNVWVHL DGPGVTRPMK KMFREIRPNS TVQWEEVCRP WVSGHRKLIA DATA SEQUENCE SMSSDSLRHV YGELDVQIQR 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.786 175.800 -0.024 0.000 0.967 8 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 8 F CB 0.000 38.992 39.000 -0.013 0.000 1.145 9 G N 1.657 110.720 108.800 0.439 0.000 2.342 9 G HA2 0.016 3.976 3.960 -0.000 0.000 0.267 9 G HA3 0.016 3.976 3.960 -0.000 0.000 0.267 9 G C 0.904 175.885 174.900 0.135 0.000 0.922 9 G CA 0.677 45.863 45.100 0.143 0.000 1.342 9 G HN 1.703 nan 8.290 nan 0.000 0.430 10 G N 0.868 109.762 108.800 0.157 0.000 2.564 10 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 10 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 10 G C 1.687 176.612 174.900 0.043 0.000 1.124 10 G CA 1.408 46.560 45.100 0.086 0.000 0.764 10 G HN 0.836 nan 8.290 nan 0.000 0.550 11 R N 1.128 121.648 120.500 0.033 0.000 2.062 11 R HA 0.022 4.362 4.340 -0.000 0.000 0.231 11 R C 1.212 177.512 176.300 0.000 0.000 1.136 11 R CA 1.208 57.314 56.100 0.010 0.000 0.948 11 R CB -0.080 30.219 30.300 -0.002 0.000 0.845 11 R HN 0.510 nan 8.270 nan 0.000 0.430 12 R N -3.240 117.256 120.500 -0.006 0.000 2.663 12 R HA 0.597 4.937 4.340 -0.000 0.000 0.267 12 R C 0.199 176.485 176.300 -0.023 0.000 1.038 12 R CA -0.184 55.905 56.100 -0.018 0.000 0.886 12 R CB 0.902 31.181 30.300 -0.034 0.000 1.249 12 R HN -0.043 nan 8.270 nan 0.000 0.463 13 A N 1.843 124.650 122.820 -0.022 0.000 1.834 13 A HA -0.028 4.291 4.320 -0.000 0.000 0.216 13 A C 1.002 178.554 177.584 -0.053 0.000 1.203 13 A CA 1.863 53.887 52.037 -0.021 0.000 0.621 13 A CB -0.692 18.300 19.000 -0.014 0.000 0.841 13 A HN 0.699 nan 8.150 nan 0.000 0.446 14 V N -3.050 116.811 119.914 -0.088 0.000 2.483 14 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 14 V C -2.993 172.911 176.094 -0.317 0.000 1.035 14 V CA -2.775 59.412 62.300 -0.188 0.000 0.896 14 V CB 1.092 32.846 31.823 -0.115 0.000 0.986 14 V HN 0.211 nan 8.190 nan 0.000 0.447 15 P HA 0.231 nan 4.420 nan 0.000 0.270 15 P C -2.577 174.460 177.300 -0.438 0.000 1.227 15 P CA -0.804 61.975 63.100 -0.534 0.000 0.788 15 P CB -0.276 31.015 31.700 -0.682 0.000 0.926 16 P HA -0.025 nan 4.420 nan 0.000 0.268 16 P C -0.553 176.789 177.300 0.070 0.000 1.205 16 P CA 0.247 63.318 63.100 -0.048 0.000 0.771 16 P CB 0.306 31.996 31.700 -0.015 0.000 0.858 17 N N 2.820 121.592 118.700 0.120 0.000 2.801 17 N HA 0.059 4.799 4.740 -0.000 0.000 0.235 17 N C 0.239 175.812 175.510 0.106 0.000 1.069 17 N CA -0.421 52.750 53.050 0.201 0.000 0.946 17 N CB -0.686 37.913 38.487 0.188 0.000 1.212 17 N HN 0.290 nan 8.380 nan 0.000 0.509 18 N N 0.142 118.898 118.700 0.093 0.000 2.197 18 N HA 0.110 4.850 4.740 -0.000 0.000 0.228 18 N C -0.876 174.651 175.510 0.029 0.000 1.212 18 N CA -0.373 52.708 53.050 0.050 0.000 0.883 18 N CB 0.431 38.942 38.487 0.040 0.000 1.107 18 N HN 0.101 nan 8.380 nan 0.000 0.519 19 S N -0.127 115.587 115.700 0.023 0.000 2.659 19 S HA 0.320 4.790 4.470 -0.000 0.000 0.312 19 S C 0.076 174.662 174.600 -0.024 0.000 1.114 19 S CA -0.759 57.441 58.200 -0.001 0.000 1.063 19 S CB 0.497 63.698 63.200 0.001 0.000 0.996 19 S HN 0.336 nan 8.310 nan 0.000 0.478 20 N N 3.530 122.210 118.700 -0.033 0.000 2.550 20 N HA 0.037 4.777 4.740 -0.000 0.000 0.186 20 N C 1.423 176.894 175.510 -0.065 0.000 1.110 20 N CA 0.818 53.823 53.050 -0.075 0.000 0.912 20 N CB -0.013 38.431 38.487 -0.073 0.000 0.968 20 N HN 0.639 nan 8.380 nan 0.000 0.448 21 A N 0.078 122.881 122.820 -0.029 0.000 2.044 21 A HA 0.440 4.760 4.320 -0.000 0.000 0.213 21 A C 0.951 178.517 177.584 -0.030 0.000 1.169 21 A CA 0.081 52.108 52.037 -0.017 0.000 0.724 21 A CB -0.074 18.939 19.000 0.022 0.000 0.840 21 A HN 0.306 nan 8.150 nan 0.000 0.463 22 A N 1.006 123.803 122.820 -0.038 0.000 2.425 22 A HA 0.500 4.819 4.320 -0.000 0.000 0.249 22 A C 0.012 177.549 177.584 -0.079 0.000 1.084 22 A CA 0.167 52.169 52.037 -0.058 0.000 0.781 22 A CB -0.138 18.823 19.000 -0.065 0.000 1.019 22 A HN 0.626 nan 8.150 nan 0.000 0.490 23 E N 1.921 122.071 120.200 -0.084 0.000 2.321 23 E HA 0.465 4.815 4.350 -0.000 0.000 0.278 23 E C -1.655 174.893 176.600 -0.088 0.000 0.902 23 E CA -0.954 55.401 56.400 -0.074 0.000 0.758 23 E CB 1.651 31.330 29.700 -0.035 0.000 1.213 23 E HN 0.641 nan 8.360 nan 0.000 0.426 24 D N 2.040 122.385 120.400 -0.092 0.000 2.332 24 D HA 0.305 4.945 4.640 -0.000 0.000 0.252 24 D C -0.852 175.430 176.300 -0.031 0.000 1.050 24 D CA -0.437 53.504 54.000 -0.098 0.000 0.970 24 D CB 1.695 42.419 40.800 -0.126 0.000 1.141 24 D HN 0.358 nan 8.370 nan 0.000 0.485 25 D N 0.609 120.985 120.400 -0.041 0.000 2.408 25 D HA 0.290 4.930 4.640 -0.000 0.000 0.243 25 D C -0.205 176.030 176.300 -0.108 0.000 1.075 25 D CA -0.552 53.439 54.000 -0.016 0.000 0.832 25 D CB 1.081 41.884 40.800 0.006 0.000 1.162 25 D HN 0.302 nan 8.370 nan 0.000 0.515 26 L N 4.713 125.791 121.223 -0.241 0.000 2.456 26 L HA 0.250 4.590 4.340 -0.000 0.000 0.272 26 L C -1.554 175.145 176.870 -0.284 0.000 1.189 26 L CA -1.342 53.275 54.840 -0.371 0.000 0.846 26 L CB 0.389 42.010 42.059 -0.730 0.000 1.111 26 L HN 0.281 nan 8.230 nan 0.000 0.475 27 P HA 0.035 nan 4.420 nan 0.000 0.271 27 P C 0.526 177.736 177.300 -0.151 0.000 1.226 27 P CA -0.278 62.731 63.100 -0.151 0.000 0.765 27 P CB 0.893 32.512 31.700 -0.134 0.000 0.835 28 T N 1.071 115.566 114.554 -0.099 0.000 2.746 28 T HA -0.060 4.289 4.350 -0.000 0.000 0.267 28 T C 0.985 175.645 174.700 -0.067 0.000 1.039 28 T CA 0.699 62.757 62.100 -0.070 0.000 1.142 28 T CB -0.322 68.526 68.868 -0.033 0.000 0.866 28 T HN 0.357 nan 8.240 nan 0.000 0.444 29 V N 2.946 122.823 119.914 -0.062 0.000 2.577 29 V HA 0.410 4.530 4.120 -0.000 0.000 0.303 29 V C 0.076 176.130 176.094 -0.065 0.000 1.042 29 V CA -1.216 61.053 62.300 -0.051 0.000 0.872 29 V CB 1.529 33.340 31.823 -0.019 0.000 0.998 29 V HN 0.621 nan 8.190 nan 0.000 0.423 44 F N 2.492 122.391 119.950 -0.085 0.000 2.588 44 F HA 0.809 5.336 4.527 -0.000 0.000 0.310 44 F C -0.513 175.263 175.800 -0.040 0.000 1.082 44 F CA -1.329 56.644 58.000 -0.046 0.000 0.929 44 F CB 1.669 40.640 39.000 -0.048 0.000 1.254 44 F HN 0.610 nan 8.300 nan 0.000 0.455 45 L N 3.790 124.868 121.223 -0.240 0.000 1.161 45 L HA -0.001 4.339 4.340 -0.000 0.000 0.421 45 L C -1.901 174.892 176.870 -0.128 0.000 1.003 45 L CA -0.054 54.621 54.840 -0.275 0.000 1.159 45 L CB -0.332 41.587 42.059 -0.233 0.000 1.272 45 L HN 0.863 nan 8.230 nan 0.000 0.727 46 N N 2.592 121.249 118.700 -0.072 0.000 2.324 46 N HA 0.628 5.368 4.740 -0.000 0.000 0.285 46 N C -1.044 174.575 175.510 0.183 0.000 1.076 46 N CA -0.469 52.609 53.050 0.047 0.000 0.864 46 N CB 2.280 40.760 38.487 -0.011 0.000 1.632 46 N HN 0.565 nan 8.380 nan 0.000 0.478 47 V N 1.956 121.950 119.914 0.133 0.000 2.455 47 V HA 0.247 4.366 4.120 -0.000 0.000 0.273 47 V C 0.865 176.887 176.094 -0.120 0.000 1.045 47 V CA 0.259 62.517 62.300 -0.070 0.000 0.976 47 V CB 0.292 31.944 31.823 -0.284 0.000 0.993 47 V HN 0.978 nan 8.190 nan 0.000 0.475 48 T N 3.743 118.207 114.554 -0.149 0.000 2.770 48 T HA 0.082 4.432 4.350 -0.000 0.000 0.258 48 T C 0.707 175.306 174.700 -0.169 0.000 1.039 48 T CA 0.902 62.930 62.100 -0.120 0.000 1.143 48 T CB -0.259 68.554 68.868 -0.092 0.000 0.866 48 T HN 0.993 nan 8.240 nan 0.000 0.428 49 S N -0.216 115.315 115.700 -0.281 0.000 2.618 49 S HA 0.708 5.178 4.470 -0.000 0.000 0.277 49 S C -1.234 173.043 174.600 -0.539 0.000 1.138 49 S CA -1.019 56.982 58.200 -0.332 0.000 0.844 49 S CB 2.171 65.217 63.200 -0.256 0.000 1.127 49 S HN 0.139 nan 8.310 nan 0.000 0.474 50 V N 2.174 121.811 119.914 -0.462 0.000 2.628 50 V HA 0.542 4.662 4.120 -0.000 0.000 0.306 50 V C -1.095 174.738 176.094 -0.434 0.000 1.045 50 V CA -0.614 61.400 62.300 -0.476 0.000 0.905 50 V CB 1.608 33.252 31.823 -0.299 0.000 0.997 50 V HN 0.967 nan 8.190 nan 0.000 0.436 51 H N 4.643 123.506 119.070 -0.346 0.000 2.786 51 H HA 0.478 5.034 4.556 -0.000 0.000 0.284 51 H C -0.602 174.296 175.328 -0.716 0.000 1.104 51 H CA -0.474 55.272 56.048 -0.505 0.000 1.339 51 H CB 1.080 30.469 29.762 -0.622 0.000 1.427 51 H HN 0.427 nan 8.280 nan 0.000 0.497 52 L N 2.595 123.623 121.223 -0.325 0.000 2.326 52 L HA 0.230 4.570 4.340 -0.000 0.000 0.278 52 L C 0.037 176.715 176.870 -0.321 0.000 1.092 52 L CA -0.535 54.164 54.840 -0.236 0.000 0.810 52 L CB 0.558 42.580 42.059 -0.062 0.000 1.153 52 L HN 0.338 nan 8.230 nan 0.000 0.439 53 F N 3.000 122.999 119.950 0.081 0.000 2.573 53 F HA 0.248 4.775 4.527 -0.000 0.000 0.349 53 F C 1.320 177.083 175.800 -0.063 0.000 1.213 53 F CA -0.484 57.522 58.000 0.010 0.000 1.300 53 F CB -0.327 38.702 39.000 0.048 0.000 1.661 53 F HN 0.469 nan 8.300 nan 0.000 0.616 54 K N 0.165 120.560 120.400 -0.008 0.000 1.983 54 K HA -0.096 4.223 4.320 -0.000 0.000 0.225 54 K C 0.295 176.761 176.600 -0.224 0.000 1.030 54 K CA 0.612 56.840 56.287 -0.098 0.000 1.027 54 K CB -0.242 32.196 32.500 -0.103 0.000 0.757 54 K HN 0.195 nan 8.250 nan 0.000 0.444 55 E N 1.067 121.048 120.200 -0.365 0.000 1.178 55 E HA -0.238 4.112 4.350 -0.000 0.000 0.367 55 E C 0.591 176.733 176.600 -0.762 0.000 0.601 55 E CA 0.771 56.697 56.400 -0.791 0.000 1.383 55 E CB -0.198 28.649 29.700 -1.421 0.000 0.322 55 E HN 0.294 nan 8.360 nan 0.000 0.379 56 R N 1.760 121.948 120.500 -0.521 0.000 2.355 56 R HA -0.169 4.171 4.340 -0.000 0.000 0.219 56 R C 1.597 177.849 176.300 -0.080 0.000 1.107 56 R CA 1.715 57.693 56.100 -0.202 0.000 1.021 56 R CB -0.186 30.100 30.300 -0.024 0.000 0.852 56 R HN 0.672 nan 8.270 nan 0.000 0.475 57 W N -1.310 120.004 121.300 0.022 0.000 2.998 57 W HA 0.384 5.044 4.660 -0.000 0.000 0.336 57 W C -0.258 176.271 176.519 0.016 0.000 1.112 57 W CA -0.883 56.470 57.345 0.013 0.000 1.682 57 W CB 0.112 29.579 29.460 0.011 0.000 1.065 57 W HN -0.312 nan 8.180 nan 0.000 0.570 58 D N 1.380 121.464 120.400 -0.527 0.000 2.344 58 D HA 0.054 4.694 4.640 -0.000 0.000 0.244 58 D C 1.460 177.719 176.300 -0.068 0.000 1.134 58 D CA 0.578 54.422 54.000 -0.260 0.000 0.930 58 D CB 1.847 42.440 40.800 -0.345 0.000 1.175 58 D HN -0.168 nan 8.370 nan 0.000 0.437 59 T N 1.736 116.293 114.554 0.005 0.000 2.624 59 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 59 T C 1.484 176.229 174.700 0.075 0.000 1.050 59 T CA 1.461 63.593 62.100 0.054 0.000 1.163 59 T CB -0.229 68.700 68.868 0.103 0.000 0.861 59 T HN 0.386 nan 8.240 nan 0.000 0.443 60 N N 0.842 119.613 118.700 0.119 0.000 2.006 60 N HA -0.057 4.683 4.740 -0.000 0.000 0.196 60 N C 1.936 177.487 175.510 0.068 0.000 1.057 60 N CA 1.278 54.411 53.050 0.138 0.000 0.853 60 N CB -0.331 38.230 38.487 0.123 0.000 1.051 60 N HN 0.440 nan 8.380 nan 0.000 0.423 61 K N 0.508 120.892 120.400 -0.027 0.000 2.063 61 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 61 K C 2.069 178.634 176.600 -0.057 0.000 1.048 61 K CA 0.920 57.178 56.287 -0.048 0.000 0.928 61 K CB -0.349 32.105 32.500 -0.077 0.000 0.713 61 K HN -0.015 nan 8.250 nan 0.000 0.442 62 V N 2.126 122.000 119.914 -0.067 0.000 2.233 62 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 62 V C 1.758 177.700 176.094 -0.254 0.000 1.050 62 V CA 2.050 64.289 62.300 -0.101 0.000 1.010 62 V CB -0.441 31.355 31.823 -0.045 0.000 0.637 62 V HN 0.294 nan 8.190 nan 0.000 0.444 63 D N -1.325 118.940 120.400 -0.226 0.000 2.218 63 D HA -0.135 4.505 4.640 -0.000 0.000 0.204 63 D C 1.947 177.788 176.300 -0.765 0.000 0.976 63 D CA 1.110 54.863 54.000 -0.411 0.000 0.853 63 D CB -0.247 40.426 40.800 -0.212 0.000 0.939 63 D HN 0.562 nan 8.370 nan 0.000 0.481 64 H N -0.918 117.864 119.070 -0.480 0.000 2.539 64 H HA 0.059 4.615 4.556 -0.000 0.000 0.269 64 H C -0.031 175.043 175.328 -0.424 0.000 0.980 64 H CA 0.272 56.065 56.048 -0.424 0.000 1.152 64 H CB 0.175 29.800 29.762 -0.228 0.000 1.407 64 H HN 0.375 nan 8.280 nan 0.000 0.564 65 H N -0.319 118.587 119.070 -0.272 0.000 2.791 65 H HA -0.143 4.413 4.556 -0.000 0.000 0.302 65 H C 0.645 175.960 175.328 -0.021 0.000 1.198 65 H CA 0.797 56.678 56.048 -0.279 0.000 1.145 65 H CB -1.702 27.600 29.762 -0.766 0.000 1.385 65 H HN 0.396 nan 8.280 nan 0.000 0.409 66 T N -3.584 111.034 114.554 0.106 0.000 3.084 66 T HA -0.007 4.343 4.350 -0.000 0.000 0.270 66 T C 1.429 176.223 174.700 0.157 0.000 1.008 66 T CA 0.169 62.419 62.100 0.249 0.000 0.900 66 T CB 0.376 69.300 68.868 0.092 0.000 1.084 66 T HN 0.482 nan 8.240 nan 0.000 0.538 67 D N 2.476 122.887 120.400 0.019 0.000 2.263 67 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 67 D C 1.509 177.770 176.300 -0.064 0.000 0.971 67 D CA 0.709 54.698 54.000 -0.018 0.000 0.867 67 D CB -0.066 40.721 40.800 -0.021 0.000 0.929 67 D HN 0.366 nan 8.370 nan 0.000 0.492 68 K N -0.605 119.645 120.400 -0.250 0.000 2.366 68 K HA -0.026 4.294 4.320 -0.000 0.000 0.198 68 K C 0.047 176.445 176.600 -0.337 0.000 1.044 68 K CA 0.085 56.066 56.287 -0.511 0.000 0.973 68 K CB -0.078 31.673 32.500 -1.249 0.000 0.767 68 K HN 0.172 nan 8.250 nan 0.000 0.475 69 Y N 2.306 122.534 120.300 -0.121 0.000 2.442 69 Y HA -0.023 4.527 4.550 -0.000 0.000 0.330 69 Y C 0.690 176.618 175.900 0.046 0.000 1.129 69 Y CA -0.228 57.935 58.100 0.106 0.000 1.365 69 Y CB 0.408 38.916 38.460 0.080 0.000 1.233 69 Y HN -0.098 nan 8.280 nan 0.000 0.529 70 E N 4.039 124.369 120.200 0.217 0.000 1.842 70 E HA -0.020 4.330 4.350 -0.000 0.000 0.278 70 E C -0.539 176.112 176.600 0.085 0.000 1.171 70 E CA 0.058 56.525 56.400 0.111 0.000 1.127 70 E CB -0.384 29.353 29.700 0.062 0.000 1.100 70 E HN 0.543 nan 8.360 nan 0.000 0.456 71 N N 2.267 121.008 118.700 0.069 0.000 2.336 71 N HA 0.037 4.777 4.740 -0.000 0.000 0.290 71 N C 0.527 176.037 175.510 0.000 0.000 1.058 71 N CA -0.321 52.736 53.050 0.013 0.000 0.865 71 N CB 1.081 39.523 38.487 -0.074 0.000 1.581 71 N HN 0.058 nan 8.380 nan 0.000 0.480 72 N N 2.302 121.008 118.700 0.010 0.000 2.216 72 N HA -0.080 4.659 4.740 -0.000 0.000 0.183 72 N C 0.097 175.613 175.510 0.009 0.000 1.017 72 N CA 1.047 54.102 53.050 0.007 0.000 0.861 72 N CB 0.010 38.505 38.487 0.015 0.000 0.986 72 N HN 0.434 nan 8.380 nan 0.000 0.428 73 K N 0.737 121.169 120.400 0.054 0.000 2.132 73 K HA 0.160 4.480 4.320 -0.000 0.000 0.240 73 K C 0.141 176.762 176.600 0.035 0.000 1.036 73 K CA -0.848 55.486 56.287 0.078 0.000 0.888 73 K CB 0.499 33.127 32.500 0.212 0.000 1.071 73 K HN 0.170 nan 8.250 nan 0.000 0.502 74 L N 1.068 122.301 121.223 0.018 0.000 2.349 74 L HA 0.352 4.692 4.340 -0.000 0.000 0.275 74 L C -0.532 176.306 176.870 -0.055 0.000 1.115 74 L CA 0.219 55.024 54.840 -0.059 0.000 0.820 74 L CB 0.334 42.337 42.059 -0.093 0.000 1.135 74 L HN 0.413 nan 8.230 nan 0.000 0.445 75 I N 5.557 126.034 120.570 -0.156 0.000 2.509 75 I HA 0.605 4.774 4.170 -0.000 0.000 0.293 75 I C -0.828 175.115 176.117 -0.291 0.000 1.020 75 I CA -0.786 60.390 61.300 -0.205 0.000 1.088 75 I CB 1.980 39.768 38.000 -0.354 0.000 1.267 75 I HN 0.462 nan 8.210 nan 0.000 0.430 76 V N 6.070 125.779 119.914 -0.341 0.000 3.206 76 V HA 0.550 4.670 4.120 -0.000 0.000 0.305 76 V C -1.255 174.697 176.094 -0.237 0.000 1.257 76 V CA -0.631 61.346 62.300 -0.539 0.000 1.057 76 V CB 3.181 34.367 31.823 -1.062 0.000 1.075 76 V HN 0.705 nan 8.190 nan 0.000 0.443 77 R N 2.725 123.259 120.500 0.056 0.000 2.445 77 R HA 0.521 4.861 4.340 -0.000 0.000 0.308 77 R C -0.281 176.055 176.300 0.060 0.000 0.961 77 R CA -0.816 55.370 56.100 0.143 0.000 0.862 77 R CB 1.606 32.076 30.300 0.284 0.000 1.144 77 R HN 0.814 nan 8.270 nan 0.000 0.447 78 R N 0.935 121.413 120.500 -0.036 0.000 2.697 78 R HA 0.040 4.380 4.340 -0.000 0.000 0.265 78 R C 0.395 176.652 176.300 -0.071 0.000 1.009 78 R CA 1.093 57.115 56.100 -0.129 0.000 1.099 78 R CB 0.154 30.358 30.300 -0.160 0.000 0.965 78 R HN 0.847 nan 8.270 nan 0.000 0.428 79 G N 0.776 109.479 108.800 -0.162 0.000 2.143 79 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.249 79 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.249 79 G C -0.147 174.718 174.900 -0.057 0.000 0.981 79 G CA 0.639 45.672 45.100 -0.112 0.000 0.665 79 G HN 0.806 nan 8.290 nan 0.000 0.528 80 Q N -0.050 119.745 119.800 -0.008 0.000 2.416 80 Q HA 0.638 4.978 4.340 -0.000 0.000 0.281 80 Q C 0.241 176.355 176.000 0.190 0.000 1.067 80 Q CA -0.129 55.706 55.803 0.052 0.000 0.809 80 Q CB 1.717 30.453 28.738 -0.004 0.000 1.418 80 Q HN 0.691 nan 8.270 nan 0.000 0.411 81 S N 1.282 117.054 115.700 0.120 0.000 2.632 81 S HA 0.797 5.267 4.470 -0.000 0.000 0.271 81 S C -0.546 174.220 174.600 0.276 0.000 1.260 81 S CA -0.451 57.809 58.200 0.100 0.000 1.010 81 S CB 0.514 63.636 63.200 -0.130 0.000 0.965 81 S HN 0.471 nan 8.310 nan 0.000 0.534 82 F N -1.974 117.860 119.950 -0.194 0.000 2.662 82 F HA 0.722 5.249 4.527 -0.000 0.000 0.312 82 F C -1.774 173.856 175.800 -0.283 0.000 1.113 82 F CA -1.926 55.938 58.000 -0.227 0.000 0.951 82 F CB 0.315 39.199 39.000 -0.194 0.000 1.344 82 F HN 0.481 nan 8.300 nan 0.000 0.462 83 Y N 1.254 121.700 120.300 0.243 0.000 2.352 83 Y HA 0.695 5.245 4.550 -0.000 0.000 0.326 83 Y C 0.152 176.219 175.900 0.279 0.000 1.166 83 Y CA -1.144 57.094 58.100 0.230 0.000 1.182 83 Y CB 1.871 40.538 38.460 0.345 0.000 1.216 83 Y HN 0.691 nan 8.280 nan 0.000 0.474 84 V N 0.363 120.467 119.914 0.318 0.000 3.012 84 V HA 0.636 4.756 4.120 -0.000 0.000 0.307 84 V C -1.295 174.818 176.094 0.030 0.000 1.166 84 V CA -1.059 61.250 62.300 0.015 0.000 0.974 84 V CB 1.902 33.711 31.823 -0.023 0.000 1.040 84 V HN 0.777 nan 8.190 nan 0.000 0.428 85 Q N 2.693 122.392 119.800 -0.169 0.000 2.310 85 Q HA 0.713 5.053 4.340 -0.000 0.000 0.270 85 Q C -1.697 174.122 176.000 -0.301 0.000 1.025 85 Q CA -0.686 55.091 55.803 -0.043 0.000 0.772 85 Q CB 2.079 30.971 28.738 0.258 0.000 1.253 85 Q HN 0.890 nan 8.270 nan 0.000 0.450 86 I N 3.179 123.516 120.570 -0.388 0.000 2.359 86 I HA 0.314 4.484 4.170 -0.000 0.000 0.294 86 I C -0.705 174.924 176.117 -0.814 0.000 0.987 86 I CA -0.802 60.082 61.300 -0.692 0.000 1.225 86 I CB 1.541 39.031 38.000 -0.850 0.000 1.366 86 I HN 0.561 nan 8.210 nan 0.000 0.466 87 D N 6.030 125.956 120.400 -0.790 0.000 2.233 87 D HA 0.474 5.113 4.640 -0.000 0.000 0.240 87 D C -0.568 175.387 176.300 -0.575 0.000 1.074 87 D CA 0.060 53.732 54.000 -0.545 0.000 0.838 87 D CB 1.211 41.809 40.800 -0.336 0.000 1.124 87 D HN 0.056 nan 8.370 nan 0.000 0.475 88 F N 0.080 119.955 119.950 -0.125 0.000 2.518 88 F HA 0.216 4.743 4.527 -0.000 0.000 0.338 88 F C 1.991 177.737 175.800 -0.090 0.000 1.065 88 F CA -0.916 57.015 58.000 -0.116 0.000 1.012 88 F CB 1.020 39.971 39.000 -0.082 0.000 1.297 88 F HN 0.262 nan 8.300 nan 0.000 0.489 89 S N 0.048 115.840 115.700 0.154 0.000 2.489 89 S HA 0.104 4.573 4.470 -0.000 0.000 0.228 89 S C 0.253 174.850 174.600 -0.005 0.000 0.995 89 S CA 0.159 58.368 58.200 0.016 0.000 0.934 89 S CB -0.347 62.811 63.200 -0.069 0.000 0.771 89 S HN 0.714 nan 8.310 nan 0.000 0.522 90 R N -1.089 119.420 120.500 0.014 0.000 2.664 90 R HA 0.512 4.852 4.340 -0.000 0.000 0.266 90 R C -3.660 172.659 176.300 0.032 0.000 1.046 90 R CA -1.917 54.181 56.100 -0.004 0.000 0.885 90 R CB -0.490 29.764 30.300 -0.077 0.000 1.254 90 R HN -0.128 nan 8.270 nan 0.000 0.465 91 P HA -0.199 nan 4.420 nan 0.000 0.265 91 P C -1.252 176.080 177.300 0.054 0.000 1.167 91 P CA 0.341 63.494 63.100 0.088 0.000 0.760 91 P CB 0.083 31.817 31.700 0.057 0.000 0.783 92 Y N 3.051 123.349 120.300 -0.004 0.000 2.402 92 Y HA 0.170 4.720 4.550 -0.000 0.000 0.333 92 Y C 0.149 176.037 175.900 -0.021 0.000 1.076 92 Y CA -0.619 57.432 58.100 -0.082 0.000 1.299 92 Y CB 0.180 38.691 38.460 0.084 0.000 1.197 92 Y HN 0.290 nan 8.280 nan 0.000 0.517 93 D N 8.997 129.065 120.400 -0.553 0.000 2.460 93 D HA 0.324 4.964 4.640 -0.000 0.000 0.232 93 D C -1.991 173.895 176.300 -0.689 0.000 1.079 93 D CA -2.410 51.322 54.000 -0.446 0.000 0.864 93 D CB 1.338 41.999 40.800 -0.231 0.000 1.048 93 D HN 0.344 nan 8.370 nan 0.000 0.523 94 P HA -0.195 nan 4.420 nan 0.000 0.224 94 P C 1.073 178.230 177.300 -0.237 0.000 1.142 94 P CA 0.638 63.476 63.100 -0.437 0.000 0.778 94 P CB 0.311 31.922 31.700 -0.147 0.000 0.764 95 R N 0.200 120.576 120.500 -0.207 0.000 2.048 95 R HA 0.016 4.356 4.340 -0.000 0.000 0.224 95 R C 2.194 178.421 176.300 -0.122 0.000 1.163 95 R CA 0.904 56.927 56.100 -0.127 0.000 0.956 95 R CB -0.116 30.126 30.300 -0.096 0.000 0.849 95 R HN -0.091 nan 8.270 nan 0.000 0.435 96 R N 0.585 121.006 120.500 -0.133 0.000 2.175 96 R HA 0.140 4.480 4.340 -0.000 0.000 0.202 96 R C -0.362 175.879 176.300 -0.098 0.000 1.018 96 R CA 0.315 56.359 56.100 -0.095 0.000 1.029 96 R CB 0.141 30.405 30.300 -0.060 0.000 0.959 96 R HN 0.229 nan 8.270 nan 0.000 0.480 97 D N 0.520 120.813 120.400 -0.178 0.000 2.425 97 D HA 0.136 4.775 4.640 -0.000 0.000 0.247 97 D C -0.777 175.528 176.300 0.009 0.000 1.147 97 D CA 0.350 54.278 54.000 -0.121 0.000 0.879 97 D CB 1.133 41.764 40.800 -0.283 0.000 1.179 97 D HN -0.059 nan 8.370 nan 0.000 0.456 98 L N 4.340 125.654 121.223 0.152 0.000 2.476 98 L HA 0.522 4.862 4.340 -0.000 0.000 0.269 98 L C -1.607 175.447 176.870 0.306 0.000 0.965 98 L CA -0.668 54.259 54.840 0.146 0.000 0.845 98 L CB 1.168 43.268 42.059 0.069 0.000 1.259 98 L HN 0.295 nan 8.230 nan 0.000 0.403 99 F N 2.721 122.809 119.950 0.231 0.000 2.685 99 F HA 0.930 5.457 4.527 -0.000 0.000 0.315 99 F C -1.091 174.821 175.800 0.187 0.000 1.126 99 F CA -0.945 57.190 58.000 0.226 0.000 0.950 99 F CB 1.517 40.628 39.000 0.185 0.000 1.360 99 F HN 0.635 nan 8.300 nan 0.000 0.469 100 R N 0.634 121.443 120.500 0.514 0.000 2.663 100 R HA 0.783 5.123 4.340 -0.000 0.000 0.267 100 R C -2.376 174.060 176.300 0.226 0.000 1.038 100 R CA -1.059 55.227 56.100 0.310 0.000 0.886 100 R CB 1.707 32.128 30.300 0.203 0.000 1.249 100 R HN 0.614 nan 8.270 nan 0.000 0.463 101 V N 1.268 121.232 119.914 0.084 0.000 2.785 101 V HA 0.365 4.485 4.120 -0.000 0.000 0.300 101 V C 0.043 176.004 176.094 -0.222 0.000 1.062 101 V CA -0.409 61.826 62.300 -0.108 0.000 1.029 101 V CB 1.441 33.130 31.823 -0.223 0.000 1.024 101 V HN 0.752 nan 8.190 nan 0.000 0.477 102 E N 1.624 121.638 120.200 -0.309 0.000 2.288 102 E HA 0.556 4.906 4.350 -0.000 0.000 0.268 102 E C -1.969 174.370 176.600 -0.435 0.000 0.885 102 E CA -0.663 55.563 56.400 -0.290 0.000 0.767 102 E CB 2.508 32.203 29.700 -0.009 0.000 1.220 102 E HN 0.583 nan 8.360 nan 0.000 0.427 103 Y N 0.680 120.851 120.300 -0.216 0.000 2.338 103 Y HA 0.438 4.988 4.550 -0.000 0.000 0.333 103 Y C -0.485 175.457 175.900 0.069 0.000 0.968 103 Y CA -0.869 57.159 58.100 -0.120 0.000 1.123 103 Y CB 1.935 40.123 38.460 -0.452 0.000 1.165 103 Y HN 0.307 nan 8.280 nan 0.000 0.452 104 V N 4.943 125.119 119.914 0.436 0.000 3.007 104 V HA 0.889 5.009 4.120 -0.000 0.000 0.311 104 V C -1.353 174.901 176.094 0.266 0.000 1.120 104 V CA -0.944 61.587 62.300 0.386 0.000 0.980 104 V CB 2.293 34.361 31.823 0.408 0.000 1.033 104 V HN 0.644 nan 8.190 nan 0.000 0.429 105 I N 1.941 122.579 120.570 0.113 0.000 2.802 105 I HA 1.020 5.190 4.170 -0.000 0.000 0.298 105 I C 0.222 176.310 176.117 -0.047 0.000 1.176 105 I CA -0.283 60.949 61.300 -0.113 0.000 1.025 105 I CB 1.778 39.518 38.000 -0.434 0.000 1.243 105 I HN 1.642 nan 8.210 nan 0.000 0.424 106 G N 3.712 112.465 108.800 -0.077 0.000 2.757 106 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.638 106 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.638 106 G C -0.055 174.793 174.900 -0.085 0.000 1.344 106 G CA 0.229 45.299 45.100 -0.051 0.000 0.855 106 G HN 1.139 nan 8.290 nan 0.000 0.537 107 R N -1.037 119.353 120.500 -0.183 0.000 2.290 107 R HA 0.263 4.602 4.340 -0.000 0.000 0.197 107 R C 0.109 176.053 176.300 -0.593 0.000 0.913 107 R CA 0.631 56.478 56.100 -0.421 0.000 1.040 107 R CB 0.081 30.006 30.300 -0.625 0.000 0.992 107 R HN 0.540 nan 8.270 nan 0.000 0.500 108 Y N 0.663 120.971 120.300 0.013 0.000 2.495 108 Y HA 0.445 4.995 4.550 -0.000 0.000 0.362 108 Y C -2.369 173.551 175.900 0.033 0.000 0.956 108 Y CA -3.229 54.879 58.100 0.014 0.000 1.127 108 Y CB 0.653 39.120 38.460 0.012 0.000 1.173 108 Y HN 0.028 nan 8.280 nan 0.000 0.639 109 P HA 0.078 nan 4.420 nan 0.000 0.270 109 P C -0.432 176.962 177.300 0.157 0.000 1.227 109 P CA 0.031 63.235 63.100 0.173 0.000 0.788 109 P CB 0.708 32.538 31.700 0.216 0.000 0.926 110 Q N 0.370 120.286 119.800 0.194 0.000 2.418 110 Q HA 0.027 4.367 4.340 -0.000 0.000 0.240 110 Q C 0.649 176.777 176.000 0.213 0.000 0.859 110 Q CA -0.193 55.700 55.803 0.151 0.000 0.916 110 Q CB 1.134 29.939 28.738 0.111 0.000 1.448 110 Q HN 0.567 nan 8.270 nan 0.000 0.439 111 E N 1.887 122.262 120.200 0.291 0.000 2.219 111 E HA -0.303 4.047 4.350 -0.000 0.000 0.198 111 E C 0.895 177.593 176.600 0.163 0.000 0.998 111 E CA 1.514 58.091 56.400 0.295 0.000 0.818 111 E CB 0.108 30.047 29.700 0.398 0.000 0.741 111 E HN 0.415 nan 8.360 nan 0.000 0.477 112 N N 0.905 119.686 118.700 0.134 0.000 2.244 112 N HA -0.100 4.639 4.740 -0.000 0.000 0.183 112 N C 0.967 176.535 175.510 0.096 0.000 1.016 112 N CA 0.998 54.107 53.050 0.099 0.000 0.866 112 N CB 0.127 38.662 38.487 0.079 0.000 0.980 112 N HN 0.137 nan 8.380 nan 0.000 0.430 113 K N -0.767 119.698 120.400 0.108 0.000 2.374 113 K HA 0.247 4.567 4.320 -0.000 0.000 0.196 113 K C 0.967 177.639 176.600 0.121 0.000 1.023 113 K CA 0.504 56.854 56.287 0.104 0.000 1.103 113 K CB 0.256 32.816 32.500 0.100 0.000 0.848 113 K HN 0.234 nan 8.250 nan 0.000 0.528 114 G N 1.639 110.519 108.800 0.134 0.000 2.205 114 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.261 114 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.261 114 G C 1.048 176.063 174.900 0.191 0.000 0.980 114 G CA 1.082 46.273 45.100 0.153 0.000 0.632 114 G HN 0.382 nan 8.290 nan 0.000 0.533 115 T N -3.202 111.465 114.554 0.187 0.000 3.081 115 T HA 0.352 4.702 4.350 -0.000 0.000 0.255 115 T C 0.660 175.517 174.700 0.262 0.000 1.113 115 T CA 1.235 63.461 62.100 0.210 0.000 1.082 115 T CB 0.306 69.266 68.868 0.153 0.000 0.939 115 T HN 1.008 nan 8.240 nan 0.000 0.506 116 Y N 1.487 121.858 120.300 0.119 0.000 2.376 116 Y HA 0.633 5.183 4.550 -0.000 0.000 0.326 116 Y C -1.515 174.403 175.900 0.030 0.000 0.970 116 Y CA -2.640 55.511 58.100 0.086 0.000 1.248 116 Y CB 0.741 39.236 38.460 0.057 0.000 1.117 116 Y HN 0.088 nan 8.280 nan 0.000 0.476 117 I N 9.649 129.810 120.570 -0.683 0.000 2.411 117 I HA 0.387 4.557 4.170 -0.000 0.000 0.284 117 I C -2.562 173.090 176.117 -0.776 0.000 1.012 117 I CA -2.054 58.822 61.300 -0.707 0.000 1.119 117 I CB 2.065 39.597 38.000 -0.780 0.000 1.261 117 I HN 0.439 nan 8.210 nan 0.000 0.448 118 P HA 0.193 nan 4.420 nan 0.000 0.295 118 P C -0.528 176.629 177.300 -0.238 0.000 1.354 118 P CA -0.344 62.547 63.100 -0.347 0.000 0.814 118 P CB 1.354 32.974 31.700 -0.132 0.000 0.935 119 V N 6.803 126.586 119.914 -0.217 0.000 2.408 119 V HA 0.253 4.373 4.120 -0.000 0.000 0.267 119 V C -1.679 174.414 176.094 -0.002 0.000 1.047 119 V CA -1.690 60.565 62.300 -0.075 0.000 0.937 119 V CB 0.867 32.686 31.823 -0.006 0.000 0.999 119 V HN 0.516 nan 8.190 nan 0.000 0.472 120 P HA 0.447 nan 4.420 nan 0.000 0.292 120 P C -0.303 176.983 177.300 -0.024 0.000 1.283 120 P CA -0.654 62.443 63.100 -0.005 0.000 0.835 120 P CB 1.595 33.287 31.700 -0.014 0.000 1.017 121 I N 1.017 121.532 120.570 -0.092 0.000 2.587 121 I HA 0.286 4.456 4.170 -0.000 0.000 0.284 121 I C -0.002 176.068 176.117 -0.078 0.000 1.134 121 I CA -0.191 61.035 61.300 -0.123 0.000 1.410 121 I CB -0.029 37.781 38.000 -0.316 0.000 1.392 121 I HN -0.010 nan 8.210 nan 0.000 0.545 122 V N 4.482 124.374 119.914 -0.036 0.000 3.126 122 V HA 0.298 4.418 4.120 -0.000 0.000 0.314 122 V C 0.984 177.073 176.094 -0.009 0.000 1.138 122 V CA 0.016 62.303 62.300 -0.022 0.000 1.034 122 V CB 2.145 33.964 31.823 -0.006 0.000 1.075 122 V HN 0.946 nan 8.190 nan 0.000 0.442 123 S N 0.497 116.193 115.700 -0.006 0.000 2.336 123 S HA 0.056 4.526 4.470 -0.000 0.000 0.216 123 S C 0.535 175.139 174.600 0.007 0.000 1.032 123 S CA 0.775 58.977 58.200 0.003 0.000 0.973 123 S CB 0.016 63.216 63.200 -0.000 0.000 0.888 123 S HN 0.684 nan 8.310 nan 0.000 0.455 124 E N 0.358 120.561 120.200 0.004 0.000 2.218 124 E HA 0.555 4.905 4.350 -0.000 0.000 0.263 124 E C -1.390 175.212 176.600 0.004 0.000 0.879 124 E CA -0.460 55.943 56.400 0.005 0.000 0.762 124 E CB 1.265 30.967 29.700 0.004 0.000 1.166 124 E HN 0.405 nan 8.360 nan 0.000 0.415 125 L N 4.700 125.925 121.223 0.003 0.000 2.410 125 L HA 0.231 4.571 4.340 -0.000 0.000 0.273 125 L C 0.698 177.564 176.870 -0.006 0.000 1.152 125 L CA 0.097 54.936 54.840 -0.002 0.000 0.855 125 L CB 0.431 42.483 42.059 -0.012 0.000 1.129 125 L HN 0.571 nan 8.230 nan 0.000 0.463 126 Q N 1.496 121.292 119.800 -0.006 0.000 2.495 126 Q HA 0.476 4.816 4.340 -0.000 0.000 0.283 126 Q C -0.643 175.344 176.000 -0.020 0.000 1.097 126 Q CA -1.083 54.714 55.803 -0.010 0.000 0.836 126 Q CB 1.296 30.032 28.738 -0.004 0.000 1.426 126 Q HN 0.468 nan 8.270 nan 0.000 0.459 127 S N 0.640 116.327 115.700 -0.022 0.000 2.810 127 S HA 0.096 4.566 4.470 -0.000 0.000 0.329 127 S C 0.851 175.430 174.600 -0.035 0.000 1.231 127 S CA 0.671 58.852 58.200 -0.031 0.000 1.042 127 S CB -0.560 62.625 63.200 -0.025 0.000 0.756 127 S HN 0.938 nan 8.310 nan 0.000 0.504 128 G N 3.600 112.366 108.800 -0.057 0.000 2.098 128 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.252 128 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.252 128 G C -0.275 174.590 174.900 -0.058 0.000 0.785 128 G CA 0.550 45.604 45.100 -0.077 0.000 1.123 128 G HN 0.674 nan 8.290 nan 0.000 0.375 129 K N -0.477 119.890 120.400 -0.055 0.000 2.553 129 K HA 0.227 4.547 4.320 -0.000 0.000 0.250 129 K C -0.381 176.248 176.600 0.047 0.000 0.953 129 K CA -0.965 55.333 56.287 0.018 0.000 0.800 129 K CB 1.579 34.103 32.500 0.039 0.000 1.243 129 K HN 0.281 nan 8.250 nan 0.000 0.435 130 W N 1.517 122.812 121.300 -0.009 0.000 2.314 130 W HA 0.207 4.867 4.660 -0.000 0.000 0.339 130 W C 0.985 177.499 176.519 -0.009 0.000 1.293 130 W CA 1.147 58.487 57.345 -0.007 0.000 1.288 130 W CB 0.754 30.210 29.460 -0.006 0.000 1.186 130 W HN 0.714 nan 8.180 nan 0.000 0.566 131 G N 0.571 109.550 108.800 0.297 0.000 2.576 131 G HA2 0.739 4.699 3.960 -0.000 0.000 0.290 131 G HA3 0.739 4.699 3.960 -0.000 0.000 0.290 131 G C -2.080 172.889 174.900 0.114 0.000 1.442 131 G CA -0.350 44.844 45.100 0.155 0.000 0.792 131 G HN 0.771 nan 8.290 nan 0.000 0.491 132 A N -0.130 122.725 122.820 0.058 0.000 2.566 132 A HA 0.966 5.286 4.320 -0.000 0.000 0.292 132 A C -0.916 176.675 177.584 0.011 0.000 1.112 132 A CA -0.754 51.298 52.037 0.024 0.000 0.707 132 A CB 2.045 21.067 19.000 0.037 0.000 1.302 132 A HN 0.669 nan 8.150 nan 0.000 0.409 133 K N 0.296 120.705 120.400 0.015 0.000 2.525 133 K HA 0.497 4.817 4.320 -0.000 0.000 0.254 133 K C -1.701 174.930 176.600 0.051 0.000 0.934 133 K CA -0.541 55.763 56.287 0.028 0.000 0.802 133 K CB 2.098 34.619 32.500 0.036 0.000 1.295 133 K HN 0.511 nan 8.250 nan 0.000 0.433 134 I N 2.635 123.234 120.570 0.049 0.000 2.363 134 I HA 0.017 4.187 4.170 -0.000 0.000 0.292 134 I C 0.940 177.105 176.117 0.080 0.000 1.075 134 I CA 0.087 61.430 61.300 0.071 0.000 1.333 134 I CB 1.146 39.191 38.000 0.074 0.000 1.415 134 I HN 0.412 nan 8.210 nan 0.000 0.502 135 V N 7.741 127.712 119.914 0.094 0.000 3.647 135 V HA 0.366 4.486 4.120 -0.000 0.000 0.279 135 V C 0.267 176.396 176.094 0.059 0.000 1.314 135 V CA 0.440 62.793 62.300 0.088 0.000 1.125 135 V CB -0.246 31.663 31.823 0.143 0.000 0.907 135 V HN 0.789 nan 8.190 nan 0.000 0.434 136 M N 1.363 121.003 119.600 0.068 0.000 2.602 136 M HA 0.274 4.753 4.480 -0.000 0.000 0.267 136 M C -2.193 174.158 176.300 0.086 0.000 0.922 136 M CA -0.432 54.904 55.300 0.059 0.000 0.845 136 M CB 1.273 33.888 32.600 0.025 0.000 1.824 136 M HN 0.289 nan 8.290 nan 0.000 0.578 137 R N 2.517 123.078 120.500 0.102 0.000 2.673 137 R HA 0.910 5.250 4.340 -0.000 0.000 0.281 137 R C -1.323 175.048 176.300 0.118 0.000 0.991 137 R CA -0.749 55.434 56.100 0.137 0.000 0.896 137 R CB 2.617 33.042 30.300 0.208 0.000 1.201 137 R HN 0.620 nan 8.270 nan 0.000 0.457 138 E N 0.919 121.191 120.200 0.121 0.000 2.437 138 E HA 0.102 4.452 4.350 -0.000 0.000 0.253 138 E C -1.251 175.414 176.600 0.109 0.000 0.905 138 E CA -1.003 55.455 56.400 0.097 0.000 0.871 138 E CB 0.571 30.315 29.700 0.073 0.000 1.649 138 E HN 0.776 nan 8.360 nan 0.000 0.422 139 D N 0.477 120.928 120.400 0.085 0.000 2.419 139 D HA -0.027 4.613 4.640 -0.000 0.000 0.281 139 D C 0.213 176.573 176.300 0.101 0.000 1.398 139 D CA 0.893 54.943 54.000 0.083 0.000 1.047 139 D CB -0.108 40.728 40.800 0.060 0.000 1.115 139 D HN 0.472 nan 8.370 nan 0.000 0.540 140 R N 0.879 121.464 120.500 0.142 0.000 3.769 140 R HA -0.170 4.170 4.340 -0.000 0.000 0.443 140 R C -0.323 176.102 176.300 0.208 0.000 0.647 140 R CA 1.364 57.579 56.100 0.192 0.000 1.563 140 R CB -1.750 28.622 30.300 0.119 0.000 2.174 140 R HN 0.376 nan 8.270 nan 0.000 0.403 141 S N 0.825 116.606 115.700 0.135 0.000 2.449 141 S HA 0.541 5.011 4.470 -0.000 0.000 0.310 141 S C -0.056 174.602 174.600 0.097 0.000 1.096 141 S CA -0.518 57.718 58.200 0.060 0.000 1.095 141 S CB 2.169 65.405 63.200 0.059 0.000 1.007 141 S HN 0.271 nan 8.310 nan 0.000 0.474 142 V N 1.933 121.873 119.914 0.043 0.000 2.435 142 V HA 0.705 4.825 4.120 -0.000 0.000 0.290 142 V C -0.289 175.833 176.094 0.047 0.000 1.030 142 V CA -1.124 61.224 62.300 0.079 0.000 0.881 142 V CB 1.168 33.052 31.823 0.102 0.000 0.983 142 V HN 0.813 nan 8.190 nan 0.000 0.445 143 R N 4.371 124.928 120.500 0.095 0.000 2.229 143 R HA 0.750 5.090 4.340 -0.000 0.000 0.332 143 R C -1.128 175.262 176.300 0.149 0.000 0.989 143 R CA -0.393 55.791 56.100 0.141 0.000 0.842 143 R CB 0.907 31.279 30.300 0.119 0.000 1.119 143 R HN 0.915 nan 8.270 nan 0.000 0.456 144 L N 1.910 123.229 121.223 0.160 0.000 2.332 144 L HA 0.531 4.871 4.340 -0.000 0.000 0.269 144 L C 0.040 177.021 176.870 0.184 0.000 1.016 144 L CA -0.917 54.002 54.840 0.133 0.000 0.809 144 L CB 2.039 44.139 42.059 0.068 0.000 1.280 144 L HN 0.563 nan 8.230 nan 0.000 0.447 145 S N 1.800 117.543 115.700 0.072 0.000 2.532 145 S HA 0.552 5.022 4.470 -0.000 0.000 0.256 145 S C -0.511 173.957 174.600 -0.220 0.000 1.298 145 S CA -0.572 57.567 58.200 -0.102 0.000 1.166 145 S CB -0.204 63.001 63.200 0.008 0.000 1.022 145 S HN 0.400 nan 8.310 nan 0.000 0.480 146 I N 3.776 124.071 120.570 -0.458 0.000 2.428 146 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 146 I C 0.393 176.284 176.117 -0.378 0.000 1.019 146 I CA -0.455 60.603 61.300 -0.403 0.000 1.351 146 I CB 1.365 39.057 38.000 -0.513 0.000 1.412 146 I HN 0.539 nan 8.210 nan 0.000 0.513 147 Q N 4.632 124.363 119.800 -0.116 0.000 2.342 147 Q HA 0.479 4.819 4.340 -0.000 0.000 0.267 147 Q C -0.993 174.794 176.000 -0.354 0.000 1.038 147 Q CA -0.696 55.027 55.803 -0.134 0.000 0.832 147 Q CB 1.965 30.637 28.738 -0.112 0.000 1.323 147 Q HN 0.821 nan 8.270 nan 0.000 0.448 148 S N 1.426 116.739 115.700 -0.645 0.000 2.690 148 S HA 0.499 4.968 4.470 -0.000 0.000 0.291 148 S C -0.263 173.704 174.600 -1.056 0.000 1.138 148 S CA -0.881 56.346 58.200 -1.623 0.000 1.013 148 S CB 1.715 64.144 63.200 -1.284 0.000 1.053 148 S HN 0.560 nan 8.310 nan 0.000 0.539 149 S N 1.820 116.785 115.700 -1.224 0.000 2.545 149 S HA 0.325 4.795 4.470 -0.000 0.000 0.275 149 S C -1.668 172.746 174.600 -0.310 0.000 1.299 149 S CA -1.783 56.111 58.200 -0.510 0.000 1.048 149 S CB 0.419 63.458 63.200 -0.270 0.000 0.938 149 S HN 0.616 nan 8.310 nan 0.000 0.496 150 P HA 0.041 nan 4.420 nan 0.000 0.239 150 P C -0.128 177.149 177.300 -0.039 0.000 1.184 150 P CA 0.668 63.717 63.100 -0.086 0.000 0.760 150 P CB -0.092 31.579 31.700 -0.049 0.000 0.884 151 K N -1.543 118.831 120.400 -0.043 0.000 2.469 151 K HA 0.129 4.449 4.320 -0.000 0.000 0.204 151 K C 0.685 177.291 176.600 0.010 0.000 1.047 151 K CA -0.349 55.941 56.287 0.006 0.000 1.072 151 K CB -0.010 32.510 32.500 0.033 0.000 0.863 151 K HN 0.051 nan 8.250 nan 0.000 0.530 152 C N 1.712 120.994 119.300 -0.030 0.000 2.746 152 C HA 0.104 4.564 4.460 -0.000 0.000 0.403 152 C C 1.005 176.011 174.990 0.027 0.000 1.270 152 C CA -0.429 58.611 59.018 0.037 0.000 1.978 152 C CB -0.334 27.369 27.740 -0.062 0.000 2.724 152 C HN 0.343 nan 8.230 nan 0.000 0.678 153 I N 3.455 124.121 120.570 0.160 0.000 2.823 153 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 153 I C 0.028 176.209 176.117 0.107 0.000 1.091 153 I CA -0.137 61.240 61.300 0.128 0.000 1.365 153 I CB 0.928 39.056 38.000 0.213 0.000 1.427 153 I HN 0.325 nan 8.210 nan 0.000 0.583 154 V N 3.749 123.639 119.914 -0.040 0.000 2.398 154 V HA 0.837 4.957 4.120 -0.000 0.000 0.286 154 V C 0.380 176.471 176.094 -0.005 0.000 1.026 154 V CA 0.072 62.330 62.300 -0.070 0.000 0.868 154 V CB 0.846 32.503 31.823 -0.277 0.000 0.982 154 V HN 1.058 nan 8.190 nan 0.000 0.443 155 G N 4.281 113.098 108.800 0.029 0.000 2.323 155 G HA2 0.303 4.263 3.960 -0.000 0.000 0.291 155 G HA3 0.303 4.263 3.960 -0.000 0.000 0.291 155 G C -1.533 173.293 174.900 -0.124 0.000 1.278 155 G CA -0.813 44.239 45.100 -0.080 0.000 0.860 155 G HN 0.571 nan 8.290 nan 0.000 0.504 156 K N 0.522 120.733 120.400 -0.315 0.000 2.292 156 K HA 0.608 4.928 4.320 -0.000 0.000 0.270 156 K C -0.964 175.411 176.600 -0.375 0.000 1.062 156 K CA -0.494 55.493 56.287 -0.499 0.000 0.916 156 K CB 0.268 32.328 32.500 -0.734 0.000 1.166 156 K HN 0.227 nan 8.250 nan 0.000 0.458 157 F N 2.133 121.956 119.950 -0.212 0.000 2.380 157 F HA 0.420 4.947 4.527 -0.000 0.000 0.321 157 F C 0.738 176.503 175.800 -0.059 0.000 1.103 157 F CA -0.501 57.451 58.000 -0.080 0.000 1.067 157 F CB 1.100 40.084 39.000 -0.026 0.000 1.265 157 F HN 0.305 nan 8.300 nan 0.000 0.517 158 R N 1.756 122.381 120.500 0.207 0.000 2.393 158 R HA 0.497 4.837 4.340 -0.000 0.000 0.310 158 R C -0.739 175.553 176.300 -0.013 0.000 0.968 158 R CA -0.645 55.447 56.100 -0.013 0.000 0.867 158 R CB 1.707 31.949 30.300 -0.097 0.000 1.124 158 R HN 0.641 nan 8.270 nan 0.000 0.450 159 M N 3.557 123.028 119.600 -0.216 0.000 2.268 159 M HA 0.431 4.911 4.480 -0.000 0.000 0.344 159 M C -1.697 174.322 176.300 -0.467 0.000 1.106 159 M CA -0.482 54.629 55.300 -0.314 0.000 1.010 159 M CB 1.030 33.508 32.600 -0.203 0.000 1.649 159 M HN 0.586 nan 8.290 nan 0.000 0.443 160 Y N 2.783 122.970 120.300 -0.189 0.000 2.457 160 Y HA 0.547 5.097 4.550 -0.000 0.000 0.343 160 Y C -0.715 175.094 175.900 -0.153 0.000 0.994 160 Y CA -0.944 57.079 58.100 -0.129 0.000 1.031 160 Y CB 2.122 40.538 38.460 -0.073 0.000 1.246 160 Y HN 0.399 nan 8.280 nan 0.000 0.449 161 V N 2.783 122.714 119.914 0.029 0.000 2.370 161 V HA 0.807 4.927 4.120 -0.000 0.000 0.279 161 V C 0.040 176.158 176.094 0.040 0.000 1.029 161 V CA -0.761 61.531 62.300 -0.013 0.000 0.870 161 V CB 0.822 32.576 31.823 -0.115 0.000 0.984 161 V HN 0.866 nan 8.190 nan 0.000 0.451 162 A N 4.638 127.506 122.820 0.081 0.000 2.320 162 A HA 0.909 5.229 4.320 -0.000 0.000 0.334 162 A C -0.703 176.973 177.584 0.153 0.000 1.147 162 A CA -0.612 51.453 52.037 0.047 0.000 0.820 162 A CB 1.664 20.645 19.000 -0.031 0.000 1.218 162 A HN 0.698 nan 8.150 nan 0.000 0.482 163 V N 0.723 120.684 119.914 0.079 0.000 2.483 163 V HA 0.237 4.357 4.120 -0.000 0.000 0.297 163 V C -1.274 174.868 176.094 0.080 0.000 1.027 163 V CA -0.292 62.116 62.300 0.180 0.000 0.855 163 V CB 1.430 33.335 31.823 0.137 0.000 0.995 163 V HN 0.934 nan 8.190 nan 0.000 0.424 164 W N 3.822 125.163 121.300 0.068 0.000 1.836 164 W HA 0.368 5.028 4.660 -0.000 0.000 0.449 164 W C 1.284 177.793 176.519 -0.016 0.000 0.787 164 W CA -0.246 57.113 57.345 0.024 0.000 1.729 164 W CB 0.475 29.945 29.460 0.017 0.000 1.802 164 W HN 0.667 nan 8.180 nan 0.000 0.257 165 T N 0.371 114.974 114.554 0.082 0.000 2.907 165 T HA 0.114 4.464 4.350 -0.000 0.000 0.298 165 T C -0.693 173.957 174.700 -0.082 0.000 1.017 165 T CA -1.710 60.364 62.100 -0.044 0.000 1.118 165 T CB 1.649 70.449 68.868 -0.113 0.000 0.948 165 T HN 0.160 nan 8.240 nan 0.000 0.531 166 P HA -0.163 nan 4.420 nan 0.000 0.223 166 P C 0.402 177.720 177.300 0.029 0.000 1.140 166 P CA 1.260 64.277 63.100 -0.139 0.000 0.783 166 P CB -0.074 31.480 31.700 -0.244 0.000 0.759 167 Y N -0.061 120.271 120.300 0.054 0.000 2.314 167 Y HA 0.459 5.009 4.550 -0.000 0.000 0.294 167 Y C 1.930 177.841 175.900 0.019 0.000 1.139 167 Y CA 0.113 58.230 58.100 0.028 0.000 1.162 167 Y CB -0.730 37.738 38.460 0.013 0.000 1.121 167 Y HN -0.049 nan 8.280 nan 0.000 0.529 168 G N -1.034 107.841 108.800 0.125 0.000 2.623 168 G HA2 0.438 4.398 3.960 -0.000 0.000 0.290 168 G HA3 0.438 4.398 3.960 -0.000 0.000 0.290 168 G C -1.976 172.875 174.900 -0.083 0.000 1.437 168 G CA -0.630 44.478 45.100 0.013 0.000 0.798 168 G HN -0.060 nan 8.290 nan 0.000 0.488 169 V N 0.528 120.302 119.914 -0.232 0.000 2.546 169 V HA 0.728 4.848 4.120 -0.000 0.000 0.284 169 V C -0.378 175.595 176.094 -0.201 0.000 1.050 169 V CA -0.583 61.509 62.300 -0.347 0.000 0.981 169 V CB 0.817 32.208 31.823 -0.720 0.000 0.990 169 V HN 0.544 nan 8.190 nan 0.000 0.474 170 L N 7.815 128.957 121.223 -0.134 0.000 2.349 170 L HA 0.700 5.040 4.340 -0.000 0.000 0.278 170 L C -0.034 176.794 176.870 -0.070 0.000 0.996 170 L CA -0.752 54.043 54.840 -0.075 0.000 0.825 170 L CB 1.583 43.633 42.059 -0.016 0.000 1.243 170 L HN 0.784 nan 8.230 nan 0.000 0.412 171 R N 0.670 121.123 120.500 -0.077 0.000 2.923 171 R HA 0.760 5.100 4.340 -0.000 0.000 0.252 171 R C -0.466 175.832 176.300 -0.004 0.000 1.130 171 R CA -0.696 55.374 56.100 -0.049 0.000 1.043 171 R CB 1.081 31.322 30.300 -0.098 0.000 1.205 171 R HN 0.444 nan 8.270 nan 0.000 0.495 172 T N 0.597 115.183 114.554 0.053 0.000 2.766 172 T HA 0.175 4.525 4.350 -0.000 0.000 0.295 172 T C 0.357 175.151 174.700 0.157 0.000 1.024 172 T CA -0.434 61.714 62.100 0.079 0.000 1.018 172 T CB 0.603 69.505 68.868 0.057 0.000 1.002 172 T HN 0.699 nan 8.240 nan 0.000 0.532 173 S N -0.121 115.647 115.700 0.114 0.000 2.672 173 S HA 0.498 4.968 4.470 -0.000 0.000 0.276 173 S C 0.006 174.705 174.600 0.166 0.000 1.207 173 S CA -1.205 57.074 58.200 0.131 0.000 1.002 173 S CB 0.699 63.929 63.200 0.050 0.000 0.998 173 S HN 0.647 nan 8.310 nan 0.000 0.542 174 R N 1.617 122.233 120.500 0.194 0.000 2.513 174 R HA 0.077 4.417 4.340 -0.000 0.000 0.333 174 R C -0.759 175.521 176.300 -0.033 0.000 0.925 174 R CA 0.514 56.668 56.100 0.090 0.000 1.072 174 R CB -1.072 29.288 30.300 0.100 0.000 0.914 174 R HN 0.705 nan 8.270 nan 0.000 0.408 175 N N 5.783 124.406 118.700 -0.128 0.000 2.626 175 N HA 0.353 5.093 4.740 -0.000 0.000 0.249 175 N C -2.262 173.179 175.510 -0.115 0.000 1.021 175 N CA -2.398 50.590 53.050 -0.104 0.000 0.886 175 N CB 1.708 40.130 38.487 -0.110 0.000 1.149 175 N HN 0.315 nan 8.380 nan 0.000 0.517 176 P HA -0.135 nan 4.420 nan 0.000 0.220 176 P C 0.569 177.832 177.300 -0.061 0.000 1.144 176 P CA 0.975 64.033 63.100 -0.070 0.000 0.800 176 P CB 0.343 32.016 31.700 -0.044 0.000 0.772 177 E N -0.804 119.362 120.200 -0.057 0.000 2.511 177 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 177 E C 0.573 177.142 176.600 -0.051 0.000 1.066 177 E CA 0.925 57.298 56.400 -0.044 0.000 0.871 177 E CB -0.067 29.610 29.700 -0.037 0.000 0.863 177 E HN 0.318 nan 8.360 nan 0.000 0.520 178 T N -2.051 112.459 114.554 -0.074 0.000 3.044 178 T HA 0.089 4.439 4.350 -0.000 0.000 0.260 178 T C 0.230 174.901 174.700 -0.049 0.000 1.019 178 T CA -0.573 61.487 62.100 -0.068 0.000 0.921 178 T CB 0.163 68.970 68.868 -0.103 0.000 1.053 178 T HN -0.123 nan 8.240 nan 0.000 0.533 179 D N 3.181 123.538 120.400 -0.071 0.000 2.571 179 D HA 0.190 4.830 4.640 -0.000 0.000 0.231 179 D C -0.158 176.101 176.300 -0.068 0.000 1.133 179 D CA 0.932 54.878 54.000 -0.091 0.000 0.862 179 D CB 0.715 41.427 40.800 -0.147 0.000 1.179 179 D HN 0.201 nan 8.370 nan 0.000 0.474 180 T N 2.299 116.816 114.554 -0.061 0.000 2.848 180 T HA 0.344 4.694 4.350 -0.000 0.000 0.285 180 T C -0.572 174.079 174.700 -0.083 0.000 0.995 180 T CA -0.557 61.515 62.100 -0.047 0.000 0.970 180 T CB 0.573 69.422 68.868 -0.033 0.000 0.976 180 T HN 0.075 nan 8.240 nan 0.000 0.441 181 Y N 1.807 122.045 120.300 -0.103 0.000 2.352 181 Y HA 0.677 5.227 4.550 -0.000 0.000 0.326 181 Y C 0.347 176.162 175.900 -0.142 0.000 1.166 181 Y CA -1.241 56.810 58.100 -0.081 0.000 1.182 181 Y CB 0.932 39.304 38.460 -0.146 0.000 1.216 181 Y HN 0.446 nan 8.280 nan 0.000 0.474 182 I N 4.169 124.794 120.570 0.091 0.000 2.466 182 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 182 I C -0.920 175.193 176.117 -0.007 0.000 1.026 182 I CA -0.453 60.824 61.300 -0.040 0.000 1.078 182 I CB 1.499 39.445 38.000 -0.090 0.000 1.249 182 I HN 0.390 nan 8.210 nan 0.000 0.429 183 L N 4.163 125.373 121.223 -0.023 0.000 2.256 183 L HA 0.603 4.943 4.340 -0.000 0.000 0.261 183 L C -0.507 176.388 176.870 0.042 0.000 1.022 183 L CA -0.897 53.962 54.840 0.032 0.000 0.828 183 L CB 1.235 43.372 42.059 0.129 0.000 1.374 183 L HN 0.271 nan 8.230 nan 0.000 0.436 184 F N 0.391 120.404 119.950 0.105 0.000 2.532 184 F HA 0.096 4.623 4.527 -0.000 0.000 0.323 184 F C 0.839 176.753 175.800 0.190 0.000 1.234 184 F CA 0.292 58.364 58.000 0.120 0.000 1.323 184 F CB 0.198 39.257 39.000 0.099 0.000 1.183 184 F HN 0.378 nan 8.300 nan 0.000 0.589 185 N N 1.557 120.505 118.700 0.414 0.000 2.690 185 N HA 0.297 5.037 4.740 -0.000 0.000 0.255 185 N C -2.426 173.325 175.510 0.402 0.000 1.195 185 N CA -1.974 51.340 53.050 0.439 0.000 0.790 185 N CB 1.172 39.862 38.487 0.337 0.000 1.216 185 N HN 0.016 nan 8.380 nan 0.000 0.528 186 P HA -0.030 nan 4.420 nan 0.000 0.223 186 P C 1.007 178.312 177.300 0.009 0.000 1.144 186 P CA 0.937 64.025 63.100 -0.019 0.000 0.783 186 P CB 0.131 31.591 31.700 -0.400 0.000 0.771 187 W N -1.976 119.465 121.300 0.235 0.000 2.576 187 W HA 0.109 4.769 4.660 -0.000 0.000 0.270 187 W C 0.568 177.283 176.519 0.326 0.000 1.255 187 W CA 0.065 57.575 57.345 0.275 0.000 1.314 187 W CB -0.696 28.882 29.460 0.196 0.000 1.101 187 W HN -0.123 nan 8.180 nan 0.000 0.595 188 C N 2.955 122.515 119.300 0.434 0.000 2.349 188 C HA 0.143 4.603 4.460 -0.000 0.000 0.348 188 C C 1.687 176.611 174.990 -0.110 0.000 1.223 188 C CA -0.145 58.962 59.018 0.148 0.000 1.746 188 C CB -0.497 27.314 27.740 0.119 0.000 2.360 188 C HN 0.318 nan 8.230 nan 0.000 0.533 189 E N 2.012 121.901 120.200 -0.518 0.000 2.339 189 E HA -0.208 4.142 4.350 -0.000 0.000 0.201 189 E C 0.756 177.105 176.600 -0.418 0.000 1.015 189 E CA 1.340 57.161 56.400 -0.965 0.000 0.841 189 E CB 0.127 29.436 29.700 -0.653 0.000 0.754 189 E HN 0.760 nan 8.360 nan 0.000 0.508 190 D N 0.431 120.720 120.400 -0.185 0.000 2.369 190 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 190 D C 0.166 176.466 176.300 -0.000 0.000 1.077 190 D CA 0.096 54.048 54.000 -0.079 0.000 0.842 190 D CB 0.240 41.001 40.800 -0.064 0.000 0.947 190 D HN 0.029 nan 8.370 nan 0.000 0.509 191 D N 0.615 121.047 120.400 0.053 0.000 2.304 191 D HA 0.204 4.844 4.640 -0.000 0.000 0.250 191 D C 1.088 177.488 176.300 0.168 0.000 1.107 191 D CA -0.292 53.790 54.000 0.137 0.000 0.885 191 D CB 1.772 42.698 40.800 0.210 0.000 1.192 191 D HN -0.066 nan 8.370 nan 0.000 0.436 192 A N 3.148 126.061 122.820 0.155 0.000 2.131 192 A HA -0.087 4.232 4.320 -0.000 0.000 0.220 192 A C 1.639 179.282 177.584 0.098 0.000 1.158 192 A CA 0.720 52.824 52.037 0.111 0.000 0.665 192 A CB 0.109 19.175 19.000 0.110 0.000 0.795 192 A HN 0.402 nan 8.150 nan 0.000 0.460 193 V N -0.432 119.588 119.914 0.176 0.000 3.099 193 V HA 0.151 4.271 4.120 -0.000 0.000 0.356 193 V C -0.216 176.042 176.094 0.272 0.000 1.364 193 V CA -0.505 61.893 62.300 0.164 0.000 1.229 193 V CB -0.707 31.161 31.823 0.075 0.000 1.227 193 V HN 0.546 nan 8.190 nan 0.000 0.493 194 Y N 1.131 121.529 120.300 0.164 0.000 2.480 194 Y HA 0.423 4.973 4.550 -0.000 0.000 0.341 194 Y C -0.207 175.767 175.900 0.124 0.000 1.031 194 Y CA -0.244 57.925 58.100 0.114 0.000 1.295 194 Y CB 0.519 39.032 38.460 0.088 0.000 1.162 194 Y HN 0.177 nan 8.280 nan 0.000 0.523 195 L N 6.909 127.719 121.223 -0.687 0.000 2.264 195 L HA 0.150 4.490 4.340 -0.000 0.000 0.289 195 L C 0.832 176.986 176.870 -1.194 0.000 1.044 195 L CA -0.239 54.042 54.840 -0.931 0.000 0.807 195 L CB 0.998 42.547 42.059 -0.850 0.000 1.192 195 L HN 0.722 nan 8.230 nan 0.000 0.425 196 D N 2.516 122.321 120.400 -0.991 0.000 2.371 196 D HA -0.107 4.533 4.640 -0.000 0.000 0.221 196 D C 0.371 176.471 176.300 -0.334 0.000 0.986 196 D CA 0.668 54.272 54.000 -0.660 0.000 0.899 196 D CB 0.324 40.980 40.800 -0.240 0.000 0.902 196 D HN 0.328 nan 8.370 nan 0.000 0.530 197 N N 0.293 118.770 118.700 -0.372 0.000 2.342 197 N HA 0.044 4.784 4.740 -0.000 0.000 0.293 197 N C 0.439 175.802 175.510 -0.245 0.000 1.026 197 N CA -0.236 52.673 53.050 -0.233 0.000 0.857 197 N CB 1.904 40.273 38.487 -0.197 0.000 1.256 197 N HN -0.178 nan 8.380 nan 0.000 0.484 198 E N 3.300 123.416 120.200 -0.140 0.000 2.047 198 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 198 E C 1.141 177.659 176.600 -0.136 0.000 0.987 198 E CA 1.727 58.064 56.400 -0.106 0.000 0.799 198 E CB 0.164 29.867 29.700 0.005 0.000 0.752 198 E HN 0.589 nan 8.360 nan 0.000 0.449 199 K N 0.282 120.607 120.400 -0.124 0.000 2.044 199 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 199 K C 2.215 178.667 176.600 -0.247 0.000 1.049 199 K CA 1.766 57.964 56.287 -0.148 0.000 0.927 199 K CB -0.201 32.225 32.500 -0.124 0.000 0.713 199 K HN 0.271 nan 8.250 nan 0.000 0.443 200 E N 0.244 120.283 120.200 -0.268 0.000 2.110 200 E HA -0.188 4.161 4.350 -0.000 0.000 0.193 200 E C 2.116 178.514 176.600 -0.337 0.000 0.988 200 E CA 1.022 57.208 56.400 -0.357 0.000 0.804 200 E CB -0.006 29.607 29.700 -0.146 0.000 0.745 200 E HN 0.251 nan 8.360 nan 0.000 0.458 201 R N 0.701 121.002 120.500 -0.331 0.000 2.115 201 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 201 R C 2.192 178.363 176.300 -0.216 0.000 1.111 201 R CA 1.061 56.925 56.100 -0.394 0.000 0.976 201 R CB -0.025 29.846 30.300 -0.715 0.000 0.870 201 R HN 0.243 nan 8.270 nan 0.000 0.445 202 E N 0.377 120.490 120.200 -0.145 0.000 2.046 202 E HA -0.208 4.142 4.350 -0.000 0.000 0.190 202 E C 1.826 178.383 176.600 -0.071 0.000 0.982 202 E CA 0.987 57.363 56.400 -0.039 0.000 0.800 202 E CB 0.006 29.685 29.700 -0.034 0.000 0.756 202 E HN 0.201 nan 8.360 nan 0.000 0.449 203 E N 1.015 121.084 120.200 -0.217 0.000 2.007 203 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 203 E C 1.731 178.245 176.600 -0.144 0.000 0.999 203 E CA 1.408 57.645 56.400 -0.271 0.000 0.811 203 E CB -0.433 28.931 29.700 -0.559 0.000 0.762 203 E HN 0.261 nan 8.360 nan 0.000 0.450 204 Y N -0.599 119.681 120.300 -0.033 0.000 2.574 204 Y HA 0.053 4.602 4.550 -0.000 0.000 0.294 204 Y C 1.890 177.758 175.900 -0.054 0.000 1.142 204 Y CA 0.621 58.709 58.100 -0.021 0.000 1.314 204 Y CB 0.006 38.484 38.460 0.030 0.000 0.991 204 Y HN -0.009 nan 8.280 nan 0.000 0.555 205 V N -2.618 117.334 119.914 0.064 0.000 3.161 205 V HA -0.002 4.118 4.120 -0.000 0.000 0.221 205 V C 1.608 177.780 176.094 0.130 0.000 1.296 205 V CA 0.081 62.415 62.300 0.057 0.000 1.306 205 V CB -0.383 31.445 31.823 0.008 0.000 1.171 205 V HN -0.015 nan 8.190 nan 0.000 0.513 206 L N 1.019 122.360 121.223 0.197 0.000 2.291 206 L HA 0.175 4.514 4.340 -0.000 0.000 0.214 206 L C 1.048 178.107 176.870 0.315 0.000 1.120 206 L CA 1.126 56.172 54.840 0.343 0.000 0.799 206 L CB -1.272 40.962 42.059 0.292 0.000 0.925 206 L HN 0.325 nan 8.230 nan 0.000 0.446 207 N N 1.045 119.848 118.700 0.173 0.000 2.458 207 N HA -0.033 4.707 4.740 -0.000 0.000 0.270 207 N C 0.417 176.056 175.510 0.214 0.000 1.102 207 N CA 0.053 53.209 53.050 0.178 0.000 0.967 207 N CB 1.011 39.571 38.487 0.121 0.000 1.078 207 N HN 0.167 nan 8.380 nan 0.000 0.471 208 D N 2.877 123.410 120.400 0.223 0.000 2.349 208 D HA 0.101 4.741 4.640 -0.000 0.000 0.214 208 D C 0.362 176.785 176.300 0.206 0.000 1.063 208 D CA 0.228 54.351 54.000 0.204 0.000 0.847 208 D CB 0.362 41.260 40.800 0.162 0.000 0.933 208 D HN 0.385 nan 8.370 nan 0.000 0.513 209 I N -0.043 120.619 120.570 0.153 0.000 2.608 209 I HA 0.628 4.798 4.170 -0.000 0.000 0.295 209 I C 0.326 176.399 176.117 -0.073 0.000 1.049 209 I CA -0.857 60.419 61.300 -0.040 0.000 1.063 209 I CB 2.484 40.474 38.000 -0.017 0.000 1.248 209 I HN -0.020 nan 8.210 nan 0.000 0.424 210 G N 3.219 111.813 108.800 -0.344 0.000 2.708 210 G HA2 0.694 4.654 3.960 -0.000 0.000 0.289 210 G HA3 0.694 4.654 3.960 -0.000 0.000 0.289 210 G C -1.533 173.282 174.900 -0.141 0.000 1.416 210 G CA -0.600 44.402 45.100 -0.163 0.000 0.829 210 G HN 0.575 nan 8.290 nan 0.000 0.480 211 V N -1.714 118.163 119.914 -0.061 0.000 2.588 211 V HA 0.781 4.901 4.120 -0.000 0.000 0.304 211 V C -0.592 175.388 176.094 -0.190 0.000 1.042 211 V CA -0.998 61.193 62.300 -0.181 0.000 0.877 211 V CB 1.348 32.988 31.823 -0.305 0.000 0.996 211 V HN 0.640 nan 8.190 nan 0.000 0.425 212 I N 5.345 125.777 120.570 -0.230 0.000 2.312 212 I HA 0.434 4.604 4.170 -0.000 0.000 0.290 212 I C -0.727 175.246 176.117 -0.239 0.000 1.008 212 I CA -0.194 61.013 61.300 -0.155 0.000 1.226 212 I CB 1.187 39.108 38.000 -0.132 0.000 1.371 212 I HN 0.554 nan 8.210 nan 0.000 0.468 213 F N 7.355 127.285 119.950 -0.033 0.000 2.424 213 F HA 0.323 4.850 4.527 -0.000 0.000 0.356 213 F C 0.278 176.024 175.800 -0.091 0.000 1.110 213 F CA -0.108 57.872 58.000 -0.034 0.000 1.161 213 F CB 0.371 39.353 39.000 -0.030 0.000 1.115 213 F HN 0.378 nan 8.300 nan 0.000 0.507 214 Y N 0.732 120.877 120.300 -0.259 0.000 3.159 214 Y HA 0.931 5.481 4.550 -0.000 0.000 0.299 214 Y C 0.607 176.300 175.900 -0.344 0.000 1.666 214 Y CA -1.381 56.283 58.100 -0.727 0.000 1.049 214 Y CB 0.191 37.987 38.460 -1.108 0.000 1.413 214 Y HN 0.806 nan 8.280 nan 0.000 0.576 215 G N 0.886 109.423 108.800 -0.439 0.000 2.603 215 G HA2 0.143 4.103 3.960 -0.000 0.000 0.245 215 G HA3 0.143 4.103 3.960 -0.000 0.000 0.245 215 G C -0.940 173.997 174.900 0.063 0.000 1.195 215 G CA 0.369 45.352 45.100 -0.194 0.000 0.953 215 G HN 1.369 nan 8.290 nan 0.000 0.566 216 E N -1.249 118.893 120.200 -0.095 0.000 2.413 216 E HA 0.673 5.023 4.350 -0.000 0.000 0.277 216 E C 0.866 177.109 176.600 -0.594 0.000 0.958 216 E CA -0.191 56.094 56.400 -0.191 0.000 0.779 216 E CB 1.152 30.816 29.700 -0.060 0.000 1.278 216 E HN 1.180 nan 8.360 nan 0.000 0.456 217 V N 0.728 120.141 119.914 -0.835 0.000 2.277 217 V HA -0.378 3.741 4.120 -0.000 0.000 0.255 217 V C 1.349 177.175 176.094 -0.447 0.000 1.074 217 V CA 2.422 64.249 62.300 -0.789 0.000 1.058 217 V CB -0.994 30.542 31.823 -0.478 0.000 0.656 217 V HN 0.716 nan 8.190 nan 0.000 0.449 218 N N -0.229 118.308 118.700 -0.272 0.000 2.409 218 N HA -0.052 4.688 4.740 -0.000 0.000 0.179 218 N C 0.736 176.139 175.510 -0.178 0.000 1.032 218 N CA 1.197 54.143 53.050 -0.173 0.000 0.898 218 N CB -0.042 38.388 38.487 -0.094 0.000 0.971 218 N HN 0.585 nan 8.380 nan 0.000 0.441 219 D N 0.509 120.780 120.400 -0.216 0.000 2.739 219 D HA 0.261 4.900 4.640 -0.000 0.000 0.335 219 D C -0.633 175.516 176.300 -0.252 0.000 1.216 219 D CA -0.387 53.497 54.000 -0.193 0.000 0.808 219 D CB -0.183 40.528 40.800 -0.148 0.000 1.121 219 D HN -0.023 nan 8.370 nan 0.000 0.499 220 I N 2.489 122.892 120.570 -0.279 0.000 2.671 220 I HA -0.037 4.132 4.170 -0.000 0.000 0.285 220 I C 1.012 176.995 176.117 -0.224 0.000 1.148 220 I CA 0.506 61.652 61.300 -0.257 0.000 1.386 220 I CB 0.201 38.087 38.000 -0.191 0.000 1.406 220 I HN -0.074 nan 8.210 nan 0.000 0.540 221 K N 4.999 125.157 120.400 -0.404 0.000 2.139 221 K HA 0.695 5.015 4.320 -0.000 0.000 0.243 221 K C 0.015 176.300 176.600 -0.524 0.000 0.983 221 K CA -0.739 55.207 56.287 -0.569 0.000 0.890 221 K CB 1.871 33.766 32.500 -1.008 0.000 1.090 221 K HN 0.642 nan 8.250 nan 0.000 0.445 222 T N -1.530 112.804 114.554 -0.367 0.000 2.883 222 T HA 0.585 4.935 4.350 -0.000 0.000 0.296 222 T C -0.909 173.739 174.700 -0.088 0.000 1.117 222 T CA -1.070 60.838 62.100 -0.320 0.000 1.006 222 T CB 2.337 70.895 68.868 -0.516 0.000 1.191 222 T HN 0.646 nan 8.240 nan 0.000 0.508 223 R N 1.013 121.404 120.500 -0.181 0.000 2.579 223 R HA 0.434 4.774 4.340 -0.000 0.000 0.260 223 R C -1.612 174.538 176.300 -0.251 0.000 1.103 223 R CA -0.396 55.572 56.100 -0.221 0.000 0.942 223 R CB 1.893 31.930 30.300 -0.438 0.000 1.251 223 R HN 0.743 nan 8.270 nan 0.000 0.450 224 S N 2.675 118.249 115.700 -0.209 0.000 2.601 224 S HA 0.520 4.990 4.470 -0.000 0.000 0.271 224 S C -1.135 173.387 174.600 -0.130 0.000 1.305 224 S CA -0.354 57.751 58.200 -0.157 0.000 1.022 224 S CB 0.494 63.618 63.200 -0.127 0.000 0.940 224 S HN 0.472 nan 8.310 nan 0.000 0.525 225 W N 2.307 123.415 121.300 -0.319 0.000 3.097 225 W HA 0.371 5.031 4.660 -0.000 0.000 0.335 225 W C -0.770 175.506 176.519 -0.405 0.000 1.114 225 W CA -0.688 56.465 57.345 -0.319 0.000 1.231 225 W CB 1.694 30.966 29.460 -0.313 0.000 1.388 225 W HN 0.543 nan 8.180 nan 0.000 0.485 226 S N 4.988 120.392 115.700 -0.493 0.000 2.411 226 S HA 0.141 4.611 4.470 -0.000 0.000 0.304 226 S C 0.571 175.146 174.600 -0.043 0.000 1.098 226 S CA -0.149 57.898 58.200 -0.254 0.000 1.068 226 S CB 0.100 63.166 63.200 -0.222 0.000 1.032 226 S HN 0.389 nan 8.310 nan 0.000 0.511 227 Y N 4.017 124.442 120.300 0.207 0.000 2.200 227 Y HA 0.116 4.665 4.550 -0.000 0.000 0.290 227 Y C 2.274 178.220 175.900 0.077 0.000 1.137 227 Y CA 0.575 58.800 58.100 0.207 0.000 1.163 227 Y CB -0.921 37.605 38.460 0.111 0.000 0.988 227 Y HN 0.896 nan 8.280 nan 0.000 0.518 228 G N 1.211 110.116 108.800 0.174 0.000 2.356 228 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.296 228 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.296 228 G C 1.166 176.071 174.900 0.009 0.000 1.022 228 G CA 0.685 45.839 45.100 0.090 0.000 0.961 228 G HN 0.539 nan 8.290 nan 0.000 0.510 229 Q N -1.001 118.691 119.800 -0.179 0.000 2.291 229 Q HA -0.066 4.274 4.340 -0.000 0.000 0.206 229 Q C 1.612 177.360 176.000 -0.420 0.000 0.976 229 Q CA 1.531 57.118 55.803 -0.360 0.000 0.875 229 Q CB -0.263 28.124 28.738 -0.586 0.000 0.927 229 Q HN 0.638 nan 8.270 nan 0.000 0.450 230 F N 1.457 121.339 119.950 -0.113 0.000 2.727 230 F HA 0.303 4.830 4.527 -0.000 0.000 0.302 230 F C 0.569 176.387 175.800 0.031 0.000 1.097 230 F CA -0.550 57.339 58.000 -0.186 0.000 1.330 230 F CB 0.143 39.010 39.000 -0.223 0.000 1.084 230 F HN -0.124 nan 8.300 nan 0.000 0.578 231 E N 1.145 121.472 120.200 0.212 0.000 2.373 231 E HA -0.048 4.302 4.350 -0.000 0.000 0.267 231 E C -0.277 176.415 176.600 0.154 0.000 1.032 231 E CA -0.269 56.259 56.400 0.213 0.000 0.889 231 E CB 0.416 30.235 29.700 0.197 0.000 0.984 231 E HN 0.097 nan 8.360 nan 0.000 0.425 232 D N 1.034 121.499 120.400 0.108 0.000 2.659 232 D HA 0.008 4.647 4.640 -0.000 0.000 0.264 232 D C 0.969 177.304 176.300 0.058 0.000 1.329 232 D CA 1.613 55.646 54.000 0.055 0.000 0.963 232 D CB -0.297 40.488 40.800 -0.025 0.000 1.136 232 D HN 0.604 nan 8.370 nan 0.000 0.554 233 G N 3.469 112.311 108.800 0.070 0.000 2.184 233 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.206 233 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.206 233 G C 1.007 175.960 174.900 0.089 0.000 0.995 233 G CA 0.173 45.313 45.100 0.065 0.000 0.651 233 G HN 0.469 nan 8.290 nan 0.000 0.511 234 I N 0.776 121.412 120.570 0.110 0.000 2.193 234 I HA 0.073 4.242 4.170 -0.000 0.000 0.240 234 I C 2.802 179.001 176.117 0.138 0.000 1.084 234 I CA 1.253 62.627 61.300 0.124 0.000 1.365 234 I CB -1.369 36.697 38.000 0.110 0.000 1.064 234 I HN 0.330 nan 8.210 nan 0.000 0.410 235 L N 0.827 122.133 121.223 0.138 0.000 1.997 235 L HA -0.318 4.022 4.340 -0.000 0.000 0.216 235 L C 2.296 179.249 176.870 0.139 0.000 1.074 235 L CA 1.952 56.857 54.840 0.107 0.000 0.763 235 L CB -0.392 41.651 42.059 -0.027 0.000 0.890 235 L HN 0.272 nan 8.230 nan 0.000 0.434 236 D N -1.046 119.445 120.400 0.152 0.000 2.144 236 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 236 D C 2.106 178.534 176.300 0.213 0.000 0.984 236 D CA 1.951 56.068 54.000 0.196 0.000 0.834 236 D CB -0.235 40.659 40.800 0.157 0.000 0.955 236 D HN 0.497 nan 8.370 nan 0.000 0.465 237 T N -1.670 113.003 114.554 0.198 0.000 2.985 237 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 237 T C 2.282 177.212 174.700 0.383 0.000 1.076 237 T CA 0.843 63.109 62.100 0.277 0.000 1.135 237 T CB -0.633 68.357 68.868 0.203 0.000 0.890 237 T HN 0.114 nan 8.240 nan 0.000 0.480 238 C N 0.870 120.347 119.300 0.296 0.000 2.440 238 C HA 0.212 4.672 4.460 -0.000 0.000 0.278 238 C C 2.733 177.917 174.990 0.323 0.000 1.295 238 C CA 0.309 59.525 59.018 0.330 0.000 1.738 238 C CB -1.378 26.407 27.740 0.075 0.000 1.987 238 C HN 0.580 nan 8.230 nan 0.000 0.492 239 L N -0.640 120.729 121.223 0.243 0.000 2.056 239 L HA -0.153 4.186 4.340 -0.000 0.000 0.207 239 L C 2.516 179.526 176.870 0.233 0.000 1.078 239 L CA 1.684 56.646 54.840 0.203 0.000 0.749 239 L CB -0.937 41.223 42.059 0.168 0.000 0.901 239 L HN 0.356 nan 8.230 nan 0.000 0.433 240 Y N 0.647 121.044 120.300 0.161 0.000 2.207 240 Y HA -0.256 4.294 4.550 -0.000 0.000 0.287 240 Y C 2.385 178.406 175.900 0.201 0.000 1.156 240 Y CA 1.583 59.771 58.100 0.147 0.000 1.182 240 Y CB -0.290 38.245 38.460 0.124 0.000 0.979 240 Y HN -0.160 nan 8.280 nan 0.000 0.521 241 V N 0.615 120.712 119.914 0.306 0.000 2.287 241 V HA -0.398 3.722 4.120 -0.000 0.000 0.248 241 V C 2.402 178.556 176.094 0.099 0.000 1.053 241 V CA 2.483 64.923 62.300 0.232 0.000 1.027 241 V CB -0.632 31.383 31.823 0.320 0.000 0.646 241 V HN 0.495 nan 8.190 nan 0.000 0.447 242 M N -0.528 119.180 119.600 0.179 0.000 2.213 242 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 242 M C 1.878 178.196 176.300 0.030 0.000 1.062 242 M CA 1.692 57.069 55.300 0.128 0.000 1.105 242 M CB -0.563 32.151 32.600 0.190 0.000 1.385 242 M HN 0.343 nan 8.290 nan 0.000 0.417 243 D N -0.047 120.340 120.400 -0.021 0.000 2.097 243 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 243 D C 2.075 178.301 176.300 -0.124 0.000 0.984 243 D CA 0.966 54.923 54.000 -0.071 0.000 0.826 243 D CB -0.297 40.448 40.800 -0.092 0.000 0.973 243 D HN 0.146 nan 8.370 nan 0.000 0.460 244 R N 0.554 120.913 120.500 -0.234 0.000 2.193 244 R HA 0.022 4.362 4.340 -0.000 0.000 0.229 244 R C 1.645 177.899 176.300 -0.077 0.000 1.110 244 R CA 0.694 56.673 56.100 -0.203 0.000 0.988 244 R CB -0.321 29.818 30.300 -0.268 0.000 0.871 244 R HN 0.100 nan 8.270 nan 0.000 0.458 245 A N 0.294 123.083 122.820 -0.050 0.000 2.251 245 A HA -0.009 4.311 4.320 -0.000 0.000 0.209 245 A C 0.471 178.045 177.584 -0.017 0.000 1.187 245 A CA -0.046 51.975 52.037 -0.026 0.000 0.823 245 A CB 0.042 19.033 19.000 -0.015 0.000 0.846 245 A HN 0.366 nan 8.150 nan 0.000 0.486 246 Q N -1.552 118.236 119.800 -0.020 0.000 2.457 246 Q HA -0.204 4.136 4.340 -0.000 0.000 0.283 246 Q C 0.061 176.065 176.000 0.008 0.000 1.234 246 Q CA 0.793 56.592 55.803 -0.006 0.000 0.877 246 Q CB -1.602 27.133 28.738 -0.005 0.000 1.250 246 Q HN 0.787 nan 8.270 nan 0.000 0.481 247 M N 1.607 121.217 119.600 0.017 0.000 2.227 247 M HA 0.052 4.532 4.480 -0.000 0.000 0.349 247 M C 0.169 176.491 176.300 0.038 0.000 1.443 247 M CA 0.006 55.325 55.300 0.033 0.000 1.110 247 M CB 0.414 33.048 32.600 0.058 0.000 1.773 247 M HN 0.114 nan 8.290 nan 0.000 0.463 248 D N 4.055 124.477 120.400 0.037 0.000 2.520 248 D HA -0.058 4.582 4.640 -0.000 0.000 0.243 248 D C 0.899 177.229 176.300 0.050 0.000 1.160 248 D CA 0.350 54.375 54.000 0.042 0.000 0.877 248 D CB 0.567 41.392 40.800 0.040 0.000 1.150 248 D HN 0.681 nan 8.370 nan 0.000 0.494 249 L N 2.796 124.046 121.223 0.045 0.000 2.127 249 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 249 L C 2.174 179.078 176.870 0.056 0.000 1.089 249 L CA 1.107 55.969 54.840 0.037 0.000 0.757 249 L CB -0.248 41.821 42.059 0.016 0.000 0.899 249 L HN 0.410 nan 8.230 nan 0.000 0.434 250 S N -0.608 115.133 115.700 0.068 0.000 2.561 250 S HA -0.008 4.461 4.470 -0.000 0.000 0.225 250 S C 1.804 176.453 174.600 0.083 0.000 0.977 250 S CA 0.751 59.000 58.200 0.082 0.000 0.926 250 S CB 0.012 63.260 63.200 0.079 0.000 0.769 250 S HN 0.594 nan 8.310 nan 0.000 0.533 251 G N 1.733 110.581 108.800 0.080 0.000 2.595 251 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.213 251 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.213 251 G C 1.195 176.165 174.900 0.117 0.000 1.141 251 G CA -0.457 44.698 45.100 0.092 0.000 0.806 251 G HN 0.393 nan 8.290 nan 0.000 0.530 252 R N 0.781 121.344 120.500 0.105 0.000 2.395 252 R HA 0.010 4.350 4.340 -0.000 0.000 0.203 252 R C 1.761 178.115 176.300 0.091 0.000 1.076 252 R CA 0.568 56.740 56.100 0.121 0.000 1.059 252 R CB -0.043 30.305 30.300 0.080 0.000 0.860 252 R HN 0.299 nan 8.270 nan 0.000 0.476 253 G N 0.121 108.971 108.800 0.084 0.000 3.228 253 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.245 253 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.245 253 G C -0.146 174.860 174.900 0.177 0.000 1.051 253 G CA -0.335 44.754 45.100 -0.018 0.000 0.809 253 G HN 0.081 nan 8.290 nan 0.000 0.531 254 N N 0.905 119.758 118.700 0.255 0.000 2.425 254 N HA 0.368 5.108 4.740 -0.000 0.000 0.268 254 N C -1.804 173.888 175.510 0.304 0.000 0.991 254 N CA -2.241 50.963 53.050 0.256 0.000 0.931 254 N CB 2.641 41.227 38.487 0.165 0.000 1.130 254 N HN -0.210 nan 8.380 nan 0.000 0.493 255 P HA -0.034 nan 4.420 nan 0.000 0.216 255 P C 1.251 178.592 177.300 0.069 0.000 1.153 255 P CA 0.685 63.810 63.100 0.042 0.000 0.848 255 P CB 0.344 31.992 31.700 -0.086 0.000 0.787 256 I N -0.095 120.530 120.570 0.092 0.000 2.194 256 I HA -0.245 3.925 4.170 -0.000 0.000 0.246 256 I C 2.293 178.462 176.117 0.087 0.000 1.093 256 I CA 1.752 63.119 61.300 0.113 0.000 1.355 256 I CB -0.904 37.196 38.000 0.167 0.000 1.046 256 I HN -0.092 nan 8.210 nan 0.000 0.413 257 K N 0.101 120.561 120.400 0.101 0.000 2.137 257 K HA -0.028 4.292 4.320 -0.000 0.000 0.202 257 K C 2.115 178.778 176.600 0.105 0.000 1.052 257 K CA 0.659 56.989 56.287 0.072 0.000 0.961 257 K CB 0.116 32.668 32.500 0.087 0.000 0.741 257 K HN 0.098 nan 8.250 nan 0.000 0.452 258 V N 1.340 121.361 119.914 0.179 0.000 2.261 258 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 258 V C 2.404 178.674 176.094 0.293 0.000 1.047 258 V CA 2.262 64.722 62.300 0.267 0.000 1.015 258 V CB -0.513 31.498 31.823 0.314 0.000 0.642 258 V HN 0.559 nan 8.190 nan 0.000 0.446 259 S N 0.621 116.465 115.700 0.239 0.000 2.387 259 S HA -0.242 4.227 4.470 -0.000 0.000 0.226 259 S C 2.063 176.770 174.600 0.179 0.000 1.026 259 S CA 1.476 59.870 58.200 0.323 0.000 0.972 259 S CB -0.463 62.893 63.200 0.260 0.000 0.814 259 S HN 0.487 nan 8.310 nan 0.000 0.477 260 R N 0.995 121.507 120.500 0.019 0.000 2.081 260 R HA 0.064 4.404 4.340 -0.000 0.000 0.235 260 R C 2.006 178.218 176.300 -0.146 0.000 1.131 260 R CA 1.657 57.658 56.100 -0.164 0.000 0.960 260 R CB -0.859 29.235 30.300 -0.342 0.000 0.856 260 R HN 0.374 nan 8.270 nan 0.000 0.436 261 V N -0.294 119.584 119.914 -0.060 0.000 2.535 261 V HA 0.034 4.154 4.120 -0.000 0.000 0.246 261 V C 2.204 178.244 176.094 -0.089 0.000 1.045 261 V CA 1.756 64.017 62.300 -0.065 0.000 1.058 261 V CB -0.533 31.286 31.823 -0.006 0.000 0.689 261 V HN 0.632 nan 8.190 nan 0.000 0.461 262 G N 0.677 109.451 108.800 -0.042 0.000 2.433 262 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.216 262 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.216 262 G C 1.888 176.621 174.900 -0.278 0.000 1.186 262 G CA 1.442 46.380 45.100 -0.270 0.000 0.779 262 G HN 0.627 nan 8.290 nan 0.000 0.543 263 S N 1.158 116.668 115.700 -0.316 0.000 2.402 263 S HA 0.010 4.479 4.470 -0.000 0.000 0.233 263 S C 2.390 176.691 174.600 -0.499 0.000 1.030 263 S CA 1.661 59.348 58.200 -0.854 0.000 1.003 263 S CB -0.421 62.262 63.200 -0.863 0.000 0.813 263 S HN 0.692 nan 8.310 nan 0.000 0.477 264 A N 0.552 123.188 122.820 -0.306 0.000 2.208 264 A HA 0.391 4.711 4.320 -0.000 0.000 0.209 264 A C 2.067 179.530 177.584 -0.202 0.000 1.161 264 A CA 0.623 52.535 52.037 -0.208 0.000 0.782 264 A CB -0.370 18.559 19.000 -0.119 0.000 0.816 264 A HN 0.528 nan 8.150 nan 0.000 0.477 265 M N -0.957 118.497 119.600 -0.242 0.000 2.492 265 M HA 0.059 4.539 4.480 -0.000 0.000 0.255 265 M C 1.797 177.929 176.300 -0.281 0.000 1.139 265 M CA 0.625 55.793 55.300 -0.219 0.000 1.096 265 M CB -0.242 32.240 32.600 -0.197 0.000 1.360 265 M HN 0.217 nan 8.290 nan 0.000 0.480 266 V N 1.237 120.952 119.914 -0.332 0.000 2.392 266 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 266 V C 0.970 176.815 176.094 -0.414 0.000 1.059 266 V CA 1.354 63.449 62.300 -0.342 0.000 1.051 266 V CB -0.796 30.830 31.823 -0.330 0.000 0.658 266 V HN 0.522 nan 8.190 nan 0.000 0.455 267 N N 0.145 118.557 118.700 -0.480 0.000 2.424 267 N HA 0.488 5.228 4.740 -0.000 0.000 0.271 267 N C -0.420 174.934 175.510 -0.261 0.000 0.985 267 N CA -0.002 52.742 53.050 -0.511 0.000 0.921 267 N CB 1.354 39.421 38.487 -0.699 0.000 1.149 267 N HN 0.269 nan 8.380 nan 0.000 0.492 268 A N 3.625 126.352 122.820 -0.156 0.000 2.451 268 A HA 0.170 4.490 4.320 -0.000 0.000 0.266 268 A C 0.138 177.694 177.584 -0.047 0.000 1.119 268 A CA -0.104 51.889 52.037 -0.074 0.000 0.786 268 A CB -0.039 18.950 19.000 -0.019 0.000 1.061 268 A HN 0.753 nan 8.150 nan 0.000 0.503 269 K N 3.539 123.909 120.400 -0.050 0.000 2.357 269 K HA 0.198 4.518 4.320 -0.000 0.000 0.251 269 K C -0.880 175.712 176.600 -0.013 0.000 1.069 269 K CA -0.501 55.759 56.287 -0.045 0.000 0.994 269 K CB 0.024 32.482 32.500 -0.069 0.000 1.411 269 K HN 0.803 nan 8.250 nan 0.000 0.450 270 D N 4.846 125.249 120.400 0.005 0.000 3.665 270 D HA -0.230 4.410 4.640 -0.000 0.000 0.206 270 D C -0.174 176.138 176.300 0.021 0.000 1.080 270 D CA 1.244 55.254 54.000 0.018 0.000 1.080 270 D CB -0.267 40.541 40.800 0.013 0.000 0.781 270 D HN 0.858 nan 8.370 nan 0.000 0.401 271 D N -0.637 119.782 120.400 0.032 0.000 2.328 271 D HA -0.221 4.419 4.640 -0.000 0.000 0.167 271 D C 1.182 177.515 176.300 0.056 0.000 1.205 271 D CA 1.823 55.850 54.000 0.045 0.000 1.128 271 D CB -0.759 40.062 40.800 0.035 0.000 1.157 271 D HN 0.680 nan 8.370 nan 0.000 0.468 272 E N 1.099 121.318 120.200 0.031 0.000 2.223 272 E HA 0.056 4.406 4.350 -0.000 0.000 0.267 272 E C 1.488 178.107 176.600 0.032 0.000 0.857 272 E CA 1.210 57.625 56.400 0.024 0.000 1.467 272 E CB -0.503 29.193 29.700 -0.006 0.000 0.965 272 E HN 0.262 nan 8.360 nan 0.000 0.591 273 G N -0.225 108.550 108.800 -0.041 0.000 2.504 273 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.291 273 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.291 273 G C 1.154 175.931 174.900 -0.204 0.000 1.345 273 G CA 0.418 45.442 45.100 -0.126 0.000 1.090 273 G HN 0.276 nan 8.290 nan 0.000 0.591 274 V N -0.510 119.147 119.914 -0.428 0.000 2.323 274 V HA 0.109 4.228 4.120 -0.000 0.000 0.244 274 V C 1.130 177.063 176.094 -0.268 0.000 1.041 274 V CA 1.235 63.151 62.300 -0.641 0.000 1.025 274 V CB -0.743 30.734 31.823 -0.576 0.000 0.656 274 V HN 0.277 nan 8.190 nan 0.000 0.451 275 L N -0.274 120.858 121.223 -0.151 0.000 2.381 275 L HA 0.521 4.861 4.340 -0.000 0.000 0.268 275 L C -0.938 175.976 176.870 0.074 0.000 0.997 275 L CA -0.609 54.232 54.840 0.001 0.000 0.818 275 L CB 2.382 44.524 42.059 0.138 0.000 1.310 275 L HN -0.111 nan 8.230 nan 0.000 0.416 276 V N 1.560 121.541 119.914 0.111 0.000 2.465 276 V HA 0.466 4.586 4.120 -0.000 0.000 0.279 276 V C 0.775 177.053 176.094 0.307 0.000 1.045 276 V CA -0.529 61.874 62.300 0.171 0.000 0.938 276 V CB 1.158 33.056 31.823 0.124 0.000 0.986 276 V HN 0.856 nan 8.190 nan 0.000 0.467 277 G N 2.582 111.610 108.800 0.379 0.000 2.420 277 G HA2 0.512 4.472 3.960 -0.000 0.000 0.284 277 G HA3 0.512 4.472 3.960 -0.000 0.000 0.284 277 G C -0.382 174.687 174.900 0.281 0.000 1.177 277 G CA -0.217 45.097 45.100 0.357 0.000 0.841 277 G HN 0.749 nan 8.290 nan 0.000 0.527 278 S N 0.528 116.179 115.700 -0.083 0.000 2.584 278 S HA 0.415 4.884 4.470 -0.000 0.000 0.280 278 S C -0.949 173.694 174.600 0.073 0.000 1.162 278 S CA -0.688 57.600 58.200 0.148 0.000 0.951 278 S CB 0.670 63.901 63.200 0.053 0.000 1.108 278 S HN 0.650 nan 8.310 nan 0.000 0.464 279 W N 4.050 125.423 121.300 0.121 0.000 2.357 279 W HA 0.220 4.880 4.660 -0.000 0.000 0.386 279 W C -0.193 176.301 176.519 -0.043 0.000 0.889 279 W CA -0.527 56.861 57.345 0.072 0.000 2.425 279 W CB 0.326 29.700 29.460 -0.143 0.000 1.244 279 W HN 0.713 nan 8.180 nan 0.000 0.646 280 D N -0.272 120.164 120.400 0.060 0.000 2.233 280 D HA 0.006 4.646 4.640 -0.000 0.000 0.240 280 D C 0.538 176.555 176.300 -0.472 0.000 1.074 280 D CA -0.358 53.562 54.000 -0.133 0.000 0.838 280 D CB 1.407 42.093 40.800 -0.190 0.000 1.124 280 D HN -0.181 nan 8.370 nan 0.000 0.475 281 N N 2.325 120.952 118.700 -0.122 0.000 2.666 281 N HA -0.047 4.693 4.740 -0.000 0.000 0.194 281 N C 0.980 176.196 175.510 -0.489 0.000 1.220 281 N CA 0.260 53.169 53.050 -0.235 0.000 0.928 281 N CB -0.181 38.300 38.487 -0.010 0.000 0.997 281 N HN 0.572 nan 8.380 nan 0.000 0.447 282 I N -1.216 118.946 120.570 -0.680 0.000 2.522 282 I HA -0.071 4.099 4.170 -0.000 0.000 0.240 282 I C -0.018 175.823 176.117 -0.460 0.000 1.078 282 I CA 0.144 61.176 61.300 -0.448 0.000 1.422 282 I CB -0.131 37.706 38.000 -0.272 0.000 1.188 282 I HN -0.078 nan 8.210 nan 0.000 0.442 283 Y N 0.540 120.723 120.300 -0.194 0.000 3.233 283 Y HA -0.212 4.338 4.550 -0.000 0.000 0.201 283 Y C 1.450 177.291 175.900 -0.098 0.000 1.486 283 Y CA -0.059 57.867 58.100 -0.289 0.000 1.326 283 Y CB -2.373 35.996 38.460 -0.152 0.000 1.460 283 Y HN 0.271 nan 8.280 nan 0.000 0.512 284 A N -0.666 122.071 122.820 -0.139 0.000 1.917 284 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 284 A C 1.361 178.675 177.584 -0.450 0.000 1.182 284 A CA 2.347 54.138 52.037 -0.410 0.000 0.633 284 A CB -0.544 17.956 19.000 -0.834 0.000 0.819 284 A HN 0.644 nan 8.150 nan 0.000 0.448 285 Y N -1.367 119.186 120.300 0.421 0.000 2.584 285 Y HA 0.476 5.026 4.550 -0.000 0.000 0.254 285 Y C 1.242 177.244 175.900 0.171 0.000 1.177 285 Y CA -0.231 58.035 58.100 0.277 0.000 1.216 285 Y CB 0.064 38.647 38.460 0.205 0.000 1.172 285 Y HN 0.375 nan 8.280 nan 0.000 0.529 286 G N -0.709 108.324 108.800 0.388 0.000 2.947 286 G HA2 0.514 4.473 3.960 -0.000 0.000 0.293 286 G HA3 0.514 4.473 3.960 -0.000 0.000 0.293 286 G C -1.588 173.384 174.900 0.119 0.000 1.243 286 G CA -0.677 44.484 45.100 0.101 0.000 0.802 286 G HN -0.232 nan 8.290 nan 0.000 0.560 287 V N 2.183 122.089 119.914 -0.013 0.000 2.432 287 V HA 0.347 4.467 4.120 -0.000 0.000 0.275 287 V C -2.034 173.903 176.094 -0.262 0.000 1.043 287 V CA -1.110 61.000 62.300 -0.316 0.000 0.925 287 V CB 1.595 32.887 31.823 -0.885 0.000 0.985 287 V HN 0.409 nan 8.190 nan 0.000 0.466 288 P HA 0.179 nan 4.420 nan 0.000 0.271 288 P C -2.022 175.007 177.300 -0.452 0.000 1.220 288 P CA -1.169 61.684 63.100 -0.411 0.000 0.768 288 P CB 0.393 31.993 31.700 -0.166 0.000 0.848 289 P HA -0.260 nan 4.420 nan 0.000 0.220 289 P C 1.112 178.531 177.300 0.199 0.000 1.155 289 P CA 1.939 64.969 63.100 -0.116 0.000 0.880 289 P CB -0.242 31.246 31.700 -0.352 0.000 0.790 290 S N -1.179 114.649 115.700 0.213 0.000 2.447 290 S HA -0.056 4.413 4.470 -0.000 0.000 0.233 290 S C 1.968 176.625 174.600 0.093 0.000 1.006 290 S CA 1.036 59.433 58.200 0.328 0.000 0.957 290 S CB -0.830 62.580 63.200 0.351 0.000 0.773 290 S HN 0.188 nan 8.310 nan 0.000 0.507 291 A N 1.457 124.167 122.820 -0.183 0.000 1.858 291 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 291 A C 0.559 177.880 177.584 -0.439 0.000 1.190 291 A CA 0.295 52.064 52.037 -0.446 0.000 0.617 291 A CB -1.029 17.525 19.000 -0.743 0.000 0.827 291 A HN 0.591 nan 8.150 nan 0.000 0.443 292 W N 0.938 122.122 121.300 -0.193 0.000 2.484 292 W HA 0.075 4.735 4.660 -0.000 0.000 0.337 292 W C 1.398 177.676 176.519 -0.402 0.000 1.214 292 W CA 0.509 57.700 57.345 -0.258 0.000 1.296 292 W CB 0.130 29.522 29.460 -0.114 0.000 1.174 292 W HN 0.395 nan 8.180 nan 0.000 0.564 293 T N 0.571 114.981 114.554 -0.241 0.000 3.014 293 T HA 0.473 4.823 4.350 -0.000 0.000 0.250 293 T C 0.721 174.879 174.700 -0.904 0.000 1.060 293 T CA 0.366 62.211 62.100 -0.425 0.000 1.040 293 T CB 0.402 69.165 68.868 -0.175 0.000 0.971 293 T HN 0.661 nan 8.240 nan 0.000 0.497 294 G N -0.045 108.086 108.800 -1.115 0.000 2.430 294 G HA2 0.434 4.394 3.960 -0.000 0.000 0.300 294 G HA3 0.434 4.394 3.960 -0.000 0.000 0.300 294 G C 0.121 174.686 174.900 -0.559 0.000 1.330 294 G CA -0.034 44.262 45.100 -1.341 0.000 0.813 294 G HN -0.113 nan 8.290 nan 0.000 0.487 295 S N -0.989 114.700 115.700 -0.017 0.000 2.395 295 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 295 S C 2.645 177.270 174.600 0.043 0.000 1.027 295 S CA 1.227 59.539 58.200 0.187 0.000 0.965 295 S CB -0.130 63.285 63.200 0.358 0.000 0.812 295 S HN 0.508 nan 8.310 nan 0.000 0.482 296 V N 2.561 122.497 119.914 0.038 0.000 2.231 296 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 296 V C 2.318 178.430 176.094 0.030 0.000 1.058 296 V CA 2.221 64.551 62.300 0.051 0.000 1.022 296 V CB -0.823 31.039 31.823 0.066 0.000 0.640 296 V HN 0.369 nan 8.190 nan 0.000 0.445 297 D N -0.160 120.251 120.400 0.018 0.000 2.126 297 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 297 D C 1.957 178.232 176.300 -0.043 0.000 1.001 297 D CA 1.830 55.866 54.000 0.060 0.000 0.841 297 D CB -0.256 40.658 40.800 0.189 0.000 0.949 297 D HN 0.482 nan 8.370 nan 0.000 0.446 298 I N -0.103 120.318 120.570 -0.247 0.000 2.202 298 I HA -0.235 3.934 4.170 -0.000 0.000 0.242 298 I C 2.498 178.569 176.117 -0.077 0.000 1.091 298 I CA 0.588 61.679 61.300 -0.349 0.000 1.368 298 I CB -0.229 37.461 38.000 -0.518 0.000 1.058 298 I HN 0.044 nan 8.210 nan 0.000 0.410 299 L N 0.276 121.503 121.223 0.007 0.000 2.056 299 L HA -0.204 4.135 4.340 -0.000 0.000 0.207 299 L C 2.582 179.534 176.870 0.135 0.000 1.078 299 L CA 1.270 56.183 54.840 0.121 0.000 0.749 299 L CB -0.533 41.609 42.059 0.138 0.000 0.901 299 L HN 0.264 nan 8.230 nan 0.000 0.433 300 L N -0.739 120.528 121.223 0.073 0.000 2.017 300 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 300 L C 2.771 179.659 176.870 0.031 0.000 1.073 300 L CA 1.174 56.039 54.840 0.043 0.000 0.745 300 L CB -0.656 41.428 42.059 0.041 0.000 0.894 300 L HN 0.317 nan 8.230 nan 0.000 0.432 301 E N -0.135 120.097 120.200 0.053 0.000 2.058 301 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 301 E C 2.054 178.701 176.600 0.078 0.000 0.997 301 E CA 1.649 58.085 56.400 0.061 0.000 0.801 301 E CB -0.311 29.438 29.700 0.081 0.000 0.746 301 E HN 0.423 nan 8.360 nan 0.000 0.450 302 Y N 1.698 121.986 120.300 -0.020 0.000 2.053 302 Y HA -0.292 4.258 4.550 -0.000 0.000 0.277 302 Y C 2.560 178.446 175.900 -0.024 0.000 1.159 302 Y CA 2.576 60.679 58.100 0.004 0.000 1.125 302 Y CB -0.555 37.926 38.460 0.035 0.000 0.969 302 Y HN -0.049 nan 8.280 nan 0.000 0.492 303 R N 0.451 120.793 120.500 -0.264 0.000 2.083 303 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 303 R C 2.355 178.390 176.300 -0.442 0.000 1.137 303 R CA 2.228 57.963 56.100 -0.608 0.000 0.951 303 R CB -1.080 28.957 30.300 -0.438 0.000 0.851 303 R HN 0.398 nan 8.270 nan 0.000 0.434 304 S N -0.157 115.408 115.700 -0.224 0.000 2.348 304 S HA -0.176 4.294 4.470 -0.000 0.000 0.221 304 S C 1.944 176.466 174.600 -0.129 0.000 1.033 304 S CA 1.654 59.765 58.200 -0.148 0.000 1.010 304 S CB -0.526 62.630 63.200 -0.073 0.000 0.891 304 S HN 0.678 nan 8.310 nan 0.000 0.442 305 S N 0.789 116.429 115.700 -0.100 0.000 2.428 305 S HA -0.025 4.445 4.470 -0.000 0.000 0.230 305 S C 0.532 175.080 174.600 -0.087 0.000 1.014 305 S CA 0.866 59.031 58.200 -0.059 0.000 0.957 305 S CB -0.532 62.667 63.200 -0.002 0.000 0.784 305 S HN 0.526 nan 8.310 nan 0.000 0.499 306 E N 0.465 120.541 120.200 -0.206 0.000 2.539 306 E HA -0.196 4.154 4.350 -0.000 0.000 0.253 306 E C -0.813 175.752 176.600 -0.057 0.000 1.145 306 E CA 0.590 56.862 56.400 -0.213 0.000 0.738 306 E CB -2.076 27.582 29.700 -0.070 0.000 1.308 306 E HN 0.784 nan 8.360 nan 0.000 0.409 307 N N -0.737 117.979 118.700 0.026 0.000 2.396 307 N HA 0.311 5.051 4.740 -0.000 0.000 0.275 307 N C -2.995 172.677 175.510 0.270 0.000 1.218 307 N CA -1.780 51.355 53.050 0.142 0.000 0.812 307 N CB 1.893 40.422 38.487 0.070 0.000 1.592 307 N HN -0.229 nan 8.380 nan 0.000 0.480 308 P HA -0.017 nan 4.420 nan 0.000 0.262 308 P C -0.649 176.707 177.300 0.093 0.000 1.182 308 P CA 0.011 63.198 63.100 0.145 0.000 0.761 308 P CB 0.515 32.258 31.700 0.071 0.000 0.795 309 V N 5.520 125.475 119.914 0.068 0.000 2.686 309 V HA 0.083 4.203 4.120 -0.000 0.000 0.295 309 V C 1.143 177.235 176.094 -0.003 0.000 1.055 309 V CA 0.016 62.344 62.300 0.046 0.000 1.050 309 V CB 0.267 32.092 31.823 0.004 0.000 0.984 309 V HN 0.443 nan 8.190 nan 0.000 0.482 310 R N 4.208 124.672 120.500 -0.061 0.000 2.248 310 R HA 0.391 4.731 4.340 -0.000 0.000 0.328 310 R C -1.447 174.710 176.300 -0.239 0.000 1.067 310 R CA -0.305 55.560 56.100 -0.393 0.000 0.924 310 R CB 0.166 30.026 30.300 -0.734 0.000 1.013 310 R HN 0.687 nan 8.270 nan 0.000 0.454 311 Y N -1.178 119.213 120.300 0.153 0.000 2.642 311 Y HA -0.185 4.365 4.550 -0.000 0.000 0.036 311 Y C 0.316 176.234 175.900 0.030 0.000 1.839 311 Y CA 0.404 58.530 58.100 0.044 0.000 1.317 311 Y CB -1.584 36.853 38.460 -0.039 0.000 1.971 311 Y HN 0.873 nan 8.280 nan 0.000 0.275 312 G N 1.726 110.515 108.800 -0.018 0.000 2.680 312 G HA2 0.796 4.756 3.960 -0.000 0.000 0.290 312 G HA3 0.796 4.756 3.960 -0.000 0.000 0.290 312 G C -1.143 173.172 174.900 -0.974 0.000 1.355 312 G CA -0.913 43.974 45.100 -0.355 0.000 0.903 312 G HN 0.502 nan 8.290 nan 0.000 0.474 313 Q N -1.594 117.320 119.800 -1.476 0.000 2.943 313 Q HA 0.281 4.621 4.340 -0.000 0.000 0.328 313 Q C 1.666 176.835 176.000 -1.385 0.000 0.934 313 Q CA -0.348 54.507 55.803 -1.580 0.000 0.782 313 Q CB 1.837 29.845 28.738 -1.217 0.000 1.470 313 Q HN 0.856 nan 8.270 nan 0.000 0.503 314 C N 0.003 119.123 119.300 -0.299 0.000 2.367 314 C HA -0.153 4.306 4.460 -0.000 0.000 0.276 314 C C 2.113 177.043 174.990 -0.099 0.000 1.195 314 C CA 1.736 60.821 59.018 0.112 0.000 1.756 314 C CB -1.493 26.733 27.740 0.811 0.000 2.046 314 C HN 0.978 nan 8.230 nan 0.000 0.453 315 W N 1.706 122.979 121.300 -0.046 0.000 2.525 315 W HA 0.213 4.873 4.660 -0.000 0.000 0.259 315 W C 1.726 178.023 176.519 -0.370 0.000 1.253 315 W CA 1.040 58.285 57.345 -0.166 0.000 1.262 315 W CB -0.954 28.419 29.460 -0.146 0.000 1.122 315 W HN 0.210 nan 8.180 nan 0.000 0.607 316 V N 1.274 120.358 119.914 -1.384 0.000 2.323 316 V HA -0.269 3.851 4.120 -0.000 0.000 0.244 316 V C 2.329 178.177 176.094 -0.411 0.000 1.041 316 V CA 1.624 63.365 62.300 -0.932 0.000 1.025 316 V CB -1.143 30.195 31.823 -0.810 0.000 0.656 316 V HN 0.058 nan 8.190 nan 0.000 0.451 317 F N 1.387 121.140 119.950 -0.327 0.000 2.091 317 F HA -0.196 4.330 4.527 -0.000 0.000 0.299 317 F C 2.524 178.261 175.800 -0.104 0.000 1.103 317 F CA 1.219 59.116 58.000 -0.172 0.000 1.228 317 F CB -1.603 37.339 39.000 -0.097 0.000 0.984 317 F HN 0.142 nan 8.300 nan 0.000 0.477 318 A N 0.145 123.009 122.820 0.073 0.000 1.969 318 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 318 A C 2.615 180.186 177.584 -0.022 0.000 1.169 318 A CA 1.619 53.701 52.037 0.075 0.000 0.635 318 A CB -1.502 17.523 19.000 0.042 0.000 0.810 318 A HN 0.401 nan 8.150 nan 0.000 0.445 319 G N -0.483 108.140 108.800 -0.295 0.000 2.421 319 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.216 319 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.216 319 G C 1.512 176.444 174.900 0.054 0.000 1.171 319 G CA 1.244 46.076 45.100 -0.447 0.000 0.775 319 G HN 0.298 nan 8.290 nan 0.000 0.543 320 V N 0.234 120.205 119.914 0.095 0.000 2.358 320 V HA -0.094 4.025 4.120 -0.000 0.000 0.246 320 V C 2.342 178.561 176.094 0.207 0.000 1.047 320 V CA 1.641 64.049 62.300 0.179 0.000 1.035 320 V CB -0.584 31.304 31.823 0.109 0.000 0.658 320 V HN 0.344 nan 8.190 nan 0.000 0.452 321 F N 1.194 121.160 119.950 0.027 0.000 2.293 321 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 321 F C 2.217 178.071 175.800 0.090 0.000 1.086 321 F CA 1.570 59.592 58.000 0.036 0.000 1.375 321 F CB -0.471 38.521 39.000 -0.012 0.000 1.045 321 F HN 0.165 nan 8.300 nan 0.000 0.516 322 N N -0.689 118.007 118.700 -0.007 0.000 2.331 322 N HA -0.137 4.603 4.740 -0.000 0.000 0.180 322 N C 1.562 176.928 175.510 -0.239 0.000 1.019 322 N CA 1.521 54.442 53.050 -0.215 0.000 0.881 322 N CB 0.061 38.361 38.487 -0.311 0.000 0.972 322 N HN 0.272 nan 8.380 nan 0.000 0.435 323 T N 0.495 115.019 114.554 -0.050 0.000 2.701 323 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 323 T C 1.537 176.228 174.700 -0.014 0.000 1.040 323 T CA 0.841 62.944 62.100 0.004 0.000 1.147 323 T CB -0.525 68.436 68.868 0.155 0.000 0.865 323 T HN 0.251 nan 8.240 nan 0.000 0.426 324 F N 1.740 121.628 119.950 -0.105 0.000 2.115 324 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 324 F C 1.878 177.569 175.800 -0.183 0.000 1.092 324 F CA 1.381 59.319 58.000 -0.104 0.000 1.245 324 F CB -0.381 38.567 39.000 -0.087 0.000 0.995 324 F HN 0.072 nan 8.300 nan 0.000 0.481 325 L N -0.390 120.711 121.223 -0.203 0.000 2.044 325 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 325 L C 2.598 179.340 176.870 -0.213 0.000 1.075 325 L CA 1.326 56.000 54.840 -0.277 0.000 0.747 325 L CB -0.696 41.171 42.059 -0.319 0.000 0.903 325 L HN -0.022 nan 8.230 nan 0.000 0.435 326 R N -0.994 119.390 120.500 -0.193 0.000 2.115 326 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 326 R C 2.460 178.696 176.300 -0.107 0.000 1.111 326 R CA 1.288 57.300 56.100 -0.146 0.000 0.976 326 R CB -0.637 29.539 30.300 -0.206 0.000 0.870 326 R HN 0.418 nan 8.270 nan 0.000 0.445 327 C N 0.620 119.844 119.300 -0.127 0.000 2.453 327 C HA 0.000 4.460 4.460 -0.000 0.000 0.277 327 C C 2.279 177.343 174.990 0.124 0.000 1.262 327 C CA 0.648 59.657 59.018 -0.015 0.000 1.718 327 C CB -0.782 26.942 27.740 -0.027 0.000 2.031 327 C HN 0.451 nan 8.230 nan 0.000 0.480 328 L N 0.216 121.428 121.223 -0.019 0.000 2.395 328 L HA 0.175 4.515 4.340 -0.000 0.000 0.218 328 L C 1.958 178.988 176.870 0.266 0.000 1.130 328 L CA 1.275 56.163 54.840 0.080 0.000 0.826 328 L CB -0.590 41.445 42.059 -0.040 0.000 0.941 328 L HN 0.656 nan 8.230 nan 0.000 0.451 329 G N 0.360 109.267 108.800 0.178 0.000 2.168 329 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.197 329 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.197 329 G C 0.110 175.050 174.900 0.067 0.000 0.997 329 G CA -0.537 44.706 45.100 0.237 0.000 0.658 329 G HN 0.210 nan 8.290 nan 0.000 0.513 330 I N 1.795 122.287 120.570 -0.130 0.000 2.342 330 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 330 I C -2.098 173.960 176.117 -0.099 0.000 1.010 330 I CA -2.327 58.831 61.300 -0.236 0.000 1.308 330 I CB 1.522 39.297 38.000 -0.374 0.000 1.400 330 I HN -0.170 nan 8.210 nan 0.000 0.488 331 P HA 0.133 nan 4.420 nan 0.000 0.266 331 P C -0.875 176.502 177.300 0.129 0.000 1.215 331 P CA 0.184 63.295 63.100 0.018 0.000 0.763 331 P CB 0.729 32.374 31.700 -0.092 0.000 0.806 332 A N 4.163 127.064 122.820 0.134 0.000 2.539 332 A HA 0.887 5.207 4.320 -0.000 0.000 0.296 332 A C -0.761 176.843 177.584 0.032 0.000 1.073 332 A CA -0.693 51.424 52.037 0.133 0.000 0.700 332 A CB 1.813 20.793 19.000 -0.033 0.000 1.296 332 A HN 0.605 nan 8.150 nan 0.000 0.405 333 R N 0.872 121.345 120.500 -0.046 0.000 2.707 333 R HA 0.727 5.067 4.340 -0.000 0.000 0.272 333 R C -1.749 174.502 176.300 -0.083 0.000 1.011 333 R CA -0.750 55.284 56.100 -0.110 0.000 0.893 333 R CB 1.095 31.224 30.300 -0.284 0.000 1.233 333 R HN 0.509 nan 8.270 nan 0.000 0.464 334 I N 2.187 122.740 120.570 -0.028 0.000 2.396 334 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 334 I C -0.369 175.681 176.117 -0.112 0.000 0.999 334 I CA -1.084 60.199 61.300 -0.029 0.000 1.310 334 I CB 1.848 39.872 38.000 0.040 0.000 1.404 334 I HN 0.302 nan 8.210 nan 0.000 0.496 335 V N 4.513 124.277 119.914 -0.251 0.000 2.735 335 V HA 0.446 4.566 4.120 -0.000 0.000 0.310 335 V C -0.246 175.513 176.094 -0.558 0.000 1.061 335 V CA -0.455 61.587 62.300 -0.429 0.000 0.913 335 V CB 2.433 33.884 31.823 -0.619 0.000 1.005 335 V HN 0.748 nan 8.190 nan 0.000 0.428 336 T N 3.930 118.185 114.554 -0.499 0.000 2.807 336 T HA 0.377 4.727 4.350 -0.000 0.000 0.279 336 T C -0.421 173.881 174.700 -0.663 0.000 0.993 336 T CA -0.467 61.328 62.100 -0.507 0.000 0.970 336 T CB 0.916 69.577 68.868 -0.345 0.000 0.950 336 T HN 0.704 nan 8.240 nan 0.000 0.441 337 N N 1.981 120.288 118.700 -0.656 0.000 2.400 337 N HA 0.332 5.072 4.740 -0.000 0.000 0.288 337 N C -1.426 173.874 175.510 -0.350 0.000 1.024 337 N CA -0.500 52.266 53.050 -0.472 0.000 0.894 337 N CB 0.957 39.230 38.487 -0.356 0.000 1.173 337 N HN 0.449 nan 8.380 nan 0.000 0.487 338 Y N 3.736 123.977 120.300 -0.098 0.000 2.367 338 Y HA 0.342 4.892 4.550 -0.000 0.000 0.342 338 Y C -0.587 175.228 175.900 -0.142 0.000 0.979 338 Y CA -0.230 57.756 58.100 -0.191 0.000 1.161 338 Y CB 0.235 38.494 38.460 -0.335 0.000 1.155 338 Y HN 0.454 nan 8.280 nan 0.000 0.503 339 F N 1.036 121.124 119.950 0.230 0.000 2.349 339 F HA -0.214 4.312 4.527 -0.000 0.000 0.463 339 F C 0.076 175.965 175.800 0.149 0.000 1.204 339 F CA -0.275 57.810 58.000 0.142 0.000 1.483 339 F CB -1.577 37.381 39.000 -0.070 0.000 2.274 339 F HN 0.330 nan 8.300 nan 0.000 0.756 340 S N 0.966 116.878 115.700 0.352 0.000 2.462 340 S HA 0.779 5.249 4.470 -0.000 0.000 0.294 340 S C 0.463 175.144 174.600 0.134 0.000 1.144 340 S CA 0.019 58.353 58.200 0.225 0.000 1.088 340 S CB 1.432 64.749 63.200 0.195 0.000 1.009 340 S HN 0.707 nan 8.310 nan 0.000 0.484 341 A N 3.648 126.520 122.820 0.086 0.000 3.202 341 A HA 0.273 4.592 4.320 -0.000 0.000 0.258 341 A C 0.185 177.732 177.584 -0.061 0.000 1.572 341 A CA -0.156 51.903 52.037 0.038 0.000 1.241 341 A CB -0.766 18.258 19.000 0.040 0.000 1.127 341 A HN 0.932 nan 8.150 nan 0.000 0.648 342 H N 0.631 119.468 119.070 -0.390 0.000 2.767 342 H HA 0.117 4.673 4.556 -0.000 0.000 0.380 342 H C 0.406 175.586 175.328 -0.246 0.000 1.409 342 H CA 1.179 56.913 56.048 -0.524 0.000 1.463 342 H CB 0.435 29.432 29.762 -1.276 0.000 1.514 342 H HN 0.587 nan 8.280 nan 0.000 0.619 343 D N 0.377 120.440 120.400 -0.561 0.000 2.737 343 D HA -0.243 4.397 4.640 -0.000 0.000 0.233 343 D C 0.542 176.774 176.300 -0.114 0.000 1.155 343 D CA 1.207 55.048 54.000 -0.265 0.000 0.667 343 D CB -1.466 39.286 40.800 -0.079 0.000 1.060 343 D HN 0.771 nan 8.370 nan 0.000 0.427 344 N N 0.344 118.982 118.700 -0.103 0.000 2.457 344 N HA -0.086 4.654 4.740 -0.000 0.000 0.180 344 N C 0.609 176.134 175.510 0.024 0.000 1.050 344 N CA 0.929 53.962 53.050 -0.028 0.000 0.906 344 N CB 0.125 38.588 38.487 -0.040 0.000 0.968 344 N HN 0.127 nan 8.380 nan 0.000 0.445 345 D N -0.980 119.496 120.400 0.126 0.000 2.751 345 D HA -0.290 4.350 4.640 -0.000 0.000 0.233 345 D C 0.519 176.859 176.300 0.065 0.000 1.149 345 D CA 1.021 55.157 54.000 0.226 0.000 0.682 345 D CB -1.329 39.535 40.800 0.108 0.000 1.068 345 D HN 0.668 nan 8.370 nan 0.000 0.429 346 A N -1.471 121.236 122.820 -0.189 0.000 3.132 346 A HA -0.360 3.959 4.320 -0.000 0.000 0.266 346 A C 0.553 178.039 177.584 -0.164 0.000 1.216 346 A CA 1.325 53.122 52.037 -0.401 0.000 0.985 346 A CB -2.009 16.604 19.000 -0.645 0.000 1.102 346 A HN 0.562 nan 8.150 nan 0.000 0.833 347 N N -0.264 118.391 118.700 -0.076 0.000 2.458 347 N HA 0.521 5.261 4.740 -0.000 0.000 0.270 347 N C 0.518 176.013 175.510 -0.025 0.000 1.102 347 N CA -0.029 52.997 53.050 -0.040 0.000 0.967 347 N CB 0.553 39.027 38.487 -0.022 0.000 1.078 347 N HN 0.380 nan 8.380 nan 0.000 0.471 348 L N 2.326 123.544 121.223 -0.009 0.000 2.888 348 L HA 0.216 4.556 4.340 -0.000 0.000 0.237 348 L C -0.149 176.718 176.870 -0.005 0.000 1.288 348 L CA 0.224 55.072 54.840 0.013 0.000 1.110 348 L CB -0.545 41.544 42.059 0.050 0.000 1.441 348 L HN 0.400 nan 8.230 nan 0.000 0.474 349 Q N 1.105 120.892 119.800 -0.022 0.000 2.280 349 Q HA 0.413 4.753 4.340 -0.000 0.000 0.259 349 Q C -1.247 174.716 176.000 -0.061 0.000 0.964 349 Q CA -0.343 55.433 55.803 -0.044 0.000 0.844 349 Q CB 3.220 31.929 28.738 -0.048 0.000 1.334 349 Q HN 0.122 nan 8.270 nan 0.000 0.423 350 M N 2.160 121.709 119.600 -0.085 0.000 2.336 350 M HA 0.377 4.857 4.480 -0.000 0.000 0.342 350 M C -1.408 174.776 176.300 -0.193 0.000 1.128 350 M CA -0.189 55.052 55.300 -0.099 0.000 1.016 350 M CB 1.159 33.719 32.600 -0.067 0.000 1.665 350 M HN 0.393 nan 8.290 nan 0.000 0.445 351 D N 5.032 125.297 120.400 -0.225 0.000 2.175 351 D HA 0.460 5.099 4.640 -0.000 0.000 0.248 351 D C -0.751 175.279 176.300 -0.451 0.000 1.047 351 D CA 0.127 53.875 54.000 -0.420 0.000 0.883 351 D CB 1.388 41.859 40.800 -0.548 0.000 1.180 351 D HN 0.422 nan 8.370 nan 0.000 0.438 352 I N 2.217 122.435 120.570 -0.586 0.000 2.468 352 I HA 0.265 4.435 4.170 -0.000 0.000 0.285 352 I C -0.711 175.160 176.117 -0.409 0.000 1.039 352 I CA -0.594 60.458 61.300 -0.413 0.000 1.074 352 I CB 0.699 38.420 38.000 -0.466 0.000 1.228 352 I HN 0.105 nan 8.210 nan 0.000 0.436 353 F N 5.947 125.819 119.950 -0.130 0.000 2.410 353 F HA 0.459 4.986 4.527 -0.000 0.000 0.349 353 F C 0.206 175.930 175.800 -0.127 0.000 1.117 353 F CA -0.492 57.429 58.000 -0.132 0.000 1.104 353 F CB 1.218 40.122 39.000 -0.160 0.000 1.122 353 F HN 0.190 nan 8.300 nan 0.000 0.483 354 L N 3.059 124.345 121.223 0.105 0.000 2.352 354 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 354 L C 0.203 177.062 176.870 -0.019 0.000 1.034 354 L CA -0.889 53.953 54.840 0.002 0.000 0.806 354 L CB 1.003 43.063 42.059 0.001 0.000 1.244 354 L HN 0.473 nan 8.230 nan 0.000 0.447 355 E N 0.740 120.888 120.200 -0.086 0.000 2.318 355 E HA 0.082 4.432 4.350 -0.000 0.000 0.265 355 E C 0.438 176.994 176.600 -0.074 0.000 1.069 355 E CA -0.265 56.080 56.400 -0.091 0.000 0.893 355 E CB 1.003 30.618 29.700 -0.142 0.000 1.076 355 E HN 0.529 nan 8.360 nan 0.000 0.414 356 E N 1.215 121.387 120.200 -0.046 0.000 2.097 356 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 356 E C 1.410 177.996 176.600 -0.025 0.000 1.000 356 E CA 2.044 58.432 56.400 -0.021 0.000 0.804 356 E CB 0.183 29.878 29.700 -0.008 0.000 0.740 356 E HN 0.533 nan 8.360 nan 0.000 0.454 357 D N -2.120 118.252 120.400 -0.047 0.000 2.097 357 D HA -0.122 4.517 4.640 -0.000 0.000 0.197 357 D C 1.455 177.724 176.300 -0.052 0.000 0.984 357 D CA 1.513 55.501 54.000 -0.019 0.000 0.826 357 D CB 0.098 40.891 40.800 -0.011 0.000 0.973 357 D HN 0.370 nan 8.370 nan 0.000 0.460 358 G N 0.248 108.913 108.800 -0.225 0.000 3.288 358 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.219 358 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.219 358 G C -0.027 174.560 174.900 -0.522 0.000 0.944 358 G CA -0.295 44.655 45.100 -0.249 0.000 0.854 358 G HN 0.307 nan 8.290 nan 0.000 0.632 359 N N 0.697 118.948 118.700 -0.747 0.000 2.399 359 N HA 0.366 5.106 4.740 -0.000 0.000 0.250 359 N C 0.542 175.863 175.510 -0.315 0.000 1.272 359 N CA -0.012 52.643 53.050 -0.658 0.000 0.928 359 N CB 1.407 39.567 38.487 -0.545 0.000 1.158 359 N HN -0.027 nan 8.380 nan 0.000 0.463 360 V N 3.251 123.015 119.914 -0.250 0.000 2.479 360 V HA 0.016 4.135 4.120 -0.000 0.000 0.281 360 V C 0.974 176.960 176.094 -0.180 0.000 1.031 360 V CA -0.422 61.724 62.300 -0.258 0.000 1.038 360 V CB 0.309 31.852 31.823 -0.467 0.000 0.981 360 V HN 0.608 nan 8.190 nan 0.000 0.478 361 N N 3.337 121.964 118.700 -0.122 0.000 2.424 361 N HA 0.198 4.938 4.740 -0.000 0.000 0.257 361 N C 0.434 175.909 175.510 -0.060 0.000 1.250 361 N CA 0.038 53.044 53.050 -0.073 0.000 0.946 361 N CB 1.634 40.101 38.487 -0.033 0.000 1.175 361 N HN 0.623 nan 8.380 nan 0.000 0.477 362 S N -0.031 115.645 115.700 -0.041 0.000 2.993 362 S HA 0.034 4.503 4.470 -0.000 0.000 0.257 362 S C 1.258 175.850 174.600 -0.014 0.000 0.997 362 S CA -0.661 57.530 58.200 -0.015 0.000 1.191 362 S CB 0.396 63.595 63.200 -0.002 0.000 1.143 362 S HN 0.702 nan 8.310 nan 0.000 0.655 363 K N 2.122 122.494 120.400 -0.048 0.000 1.991 363 K HA 0.109 4.429 4.320 -0.000 0.000 0.207 363 K C 0.437 176.999 176.600 -0.063 0.000 1.045 363 K CA 0.801 57.047 56.287 -0.067 0.000 0.937 363 K CB -0.122 32.309 32.500 -0.115 0.000 0.720 363 K HN 0.405 nan 8.250 nan 0.000 0.438 364 L N 1.345 122.508 121.223 -0.099 0.000 2.372 364 L HA 0.278 4.618 4.340 -0.000 0.000 0.274 364 L C -1.431 175.590 176.870 0.251 0.000 0.988 364 L CA -0.189 54.646 54.840 -0.007 0.000 0.833 364 L CB 2.024 43.965 42.059 -0.196 0.000 1.236 364 L HN 0.346 nan 8.230 nan 0.000 0.410 365 T N 3.562 118.230 114.554 0.190 0.000 3.970 365 T HA 0.080 4.430 4.350 -0.000 0.000 0.160 365 T C 0.229 174.983 174.700 0.090 0.000 0.529 365 T CA -0.535 61.651 62.100 0.143 0.000 1.005 365 T CB -0.028 68.884 68.868 0.073 0.000 1.287 365 T HN 0.545 nan 8.240 nan 0.000 0.532 366 K N 0.013 120.465 120.400 0.086 0.000 2.313 366 K HA 0.163 4.483 4.320 -0.000 0.000 0.197 366 K C 0.159 176.783 176.600 0.041 0.000 1.061 366 K CA 0.099 56.419 56.287 0.053 0.000 0.980 366 K CB 0.412 32.938 32.500 0.045 0.000 0.888 366 K HN 0.358 nan 8.250 nan 0.000 0.502 367 D N 2.045 122.472 120.400 0.045 0.000 2.424 367 D HA 0.128 4.768 4.640 -0.000 0.000 0.244 367 D C -0.348 175.977 176.300 0.041 0.000 1.134 367 D CA 0.529 54.549 54.000 0.034 0.000 0.881 367 D CB 1.048 41.857 40.800 0.015 0.000 1.191 367 D HN -0.134 nan 8.370 nan 0.000 0.445 368 S N 0.188 115.922 115.700 0.056 0.000 2.541 368 S HA 0.473 4.943 4.470 -0.000 0.000 0.280 368 S C -0.207 174.480 174.600 0.146 0.000 1.112 368 S CA -1.021 57.214 58.200 0.057 0.000 0.925 368 S CB 1.861 65.060 63.200 -0.003 0.000 1.067 368 S HN 0.339 nan 8.310 nan 0.000 0.479 369 V N 0.005 120.012 119.914 0.156 0.000 2.686 369 V HA 0.655 4.775 4.120 -0.000 0.000 0.295 369 V C -1.076 175.242 176.094 0.373 0.000 1.057 369 V CA -0.604 61.874 62.300 0.297 0.000 1.012 369 V CB 0.296 32.305 31.823 0.309 0.000 1.006 369 V HN 0.836 nan 8.190 nan 0.000 0.477 370 W N 3.150 124.505 121.300 0.092 0.000 2.365 370 W HA 0.541 5.201 4.660 -0.000 0.000 0.316 370 W C 1.310 177.950 176.519 0.201 0.000 1.164 370 W CA -0.687 56.684 57.345 0.044 0.000 1.204 370 W CB 0.278 29.704 29.460 -0.056 0.000 1.213 370 W HN 0.622 nan 8.180 nan 0.000 0.539 371 N N 1.362 120.304 118.700 0.404 0.000 2.104 371 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 371 N C -0.197 175.577 175.510 0.440 0.000 1.024 371 N CA 1.547 54.846 53.050 0.414 0.000 0.853 371 N CB -0.371 38.396 38.487 0.466 0.000 1.008 371 N HN 0.535 nan 8.380 nan 0.000 0.424 372 Y N -2.724 117.800 120.300 0.372 0.000 2.581 372 Y HA 0.632 5.181 4.550 -0.000 0.000 0.337 372 Y C -1.295 174.895 175.900 0.484 0.000 1.108 372 Y CA -1.412 56.766 58.100 0.130 0.000 1.033 372 Y CB 0.847 39.222 38.460 -0.142 0.000 1.318 372 Y HN -0.041 nan 8.280 nan 0.000 0.459 373 H N 1.276 120.424 119.070 0.131 0.000 2.856 373 H HA 0.678 5.234 4.556 -0.000 0.000 0.355 373 H C -1.781 173.582 175.328 0.059 0.000 1.079 373 H CA -1.319 54.829 56.048 0.167 0.000 1.240 373 H CB 1.677 31.456 29.762 0.029 0.000 1.701 373 H HN 1.104 nan 8.280 nan 0.000 0.527 374 C N 5.541 124.713 119.300 -0.215 0.000 2.295 374 C HA 0.594 5.054 4.460 -0.000 0.000 0.331 374 C C -0.592 174.225 174.990 -0.289 0.000 1.280 374 C CA -0.549 58.311 59.018 -0.263 0.000 1.746 374 C CB -1.818 25.952 27.740 0.051 0.000 2.328 374 C HN 0.810 nan 8.230 nan 0.000 0.521 375 W N 2.776 123.925 121.300 -0.252 0.000 3.040 375 W HA 0.735 5.395 4.660 -0.000 0.000 0.344 375 W C -1.107 175.405 176.519 -0.012 0.000 1.201 375 W CA -0.903 56.364 57.345 -0.131 0.000 1.119 375 W CB 0.136 29.532 29.460 -0.107 0.000 1.478 375 W HN 0.465 nan 8.180 nan 0.000 0.586 376 N N 0.339 119.319 118.700 0.467 0.000 2.483 376 N HA 0.534 5.274 4.740 -0.000 0.000 0.285 376 N C -1.508 174.260 175.510 0.430 0.000 1.210 376 N CA -0.994 52.262 53.050 0.344 0.000 0.931 376 N CB 1.521 40.239 38.487 0.384 0.000 1.220 376 N HN 0.500 nan 8.380 nan 0.000 0.542 377 E N -0.328 120.038 120.200 0.277 0.000 2.256 377 E HA 0.698 5.048 4.350 -0.000 0.000 0.268 377 E C -1.412 175.457 176.600 0.449 0.000 0.877 377 E CA -0.915 55.692 56.400 0.345 0.000 0.757 377 E CB 2.010 31.788 29.700 0.130 0.000 1.183 377 E HN 0.610 nan 8.360 nan 0.000 0.418 378 A N 3.272 126.382 122.820 0.482 0.000 2.365 378 A HA 0.476 4.795 4.320 -0.000 0.000 0.318 378 A C -1.545 176.159 177.584 0.199 0.000 1.091 378 A CA -0.666 51.570 52.037 0.331 0.000 0.763 378 A CB 1.121 20.216 19.000 0.158 0.000 1.248 378 A HN 0.698 nan 8.150 nan 0.000 0.442 379 W N 4.716 125.838 121.300 -0.296 0.000 2.390 379 W HA 0.624 5.284 4.660 -0.000 0.000 0.312 379 W C -0.846 175.460 176.519 -0.355 0.000 1.123 379 W CA -0.245 56.721 57.345 -0.633 0.000 1.202 379 W CB 1.324 30.188 29.460 -0.993 0.000 1.251 379 W HN 0.939 nan 8.180 nan 0.000 0.511 380 M N 3.576 122.657 119.600 -0.865 0.000 3.118 380 M HA 0.287 4.767 4.480 -0.000 0.000 0.276 380 M C -1.270 174.696 176.300 -0.557 0.000 1.099 380 M CA -0.656 54.331 55.300 -0.521 0.000 0.802 380 M CB 1.449 33.902 32.600 -0.245 0.000 1.618 380 M HN 0.213 nan 8.290 nan 0.000 0.535 381 T N -0.381 113.993 114.554 -0.301 0.000 2.927 381 T HA 0.743 5.093 4.350 -0.000 0.000 0.281 381 T C -0.306 174.309 174.700 -0.142 0.000 0.998 381 T CA -0.892 61.071 62.100 -0.227 0.000 1.019 381 T CB 1.267 70.063 68.868 -0.121 0.000 1.061 381 T HN 0.666 nan 8.240 nan 0.000 0.518 382 R N 2.045 122.475 120.500 -0.115 0.000 2.415 382 R HA 0.312 4.652 4.340 -0.000 0.000 0.292 382 R C -2.487 173.772 176.300 -0.069 0.000 1.295 382 R CA -2.024 54.033 56.100 -0.070 0.000 1.137 382 R CB 1.187 31.454 30.300 -0.055 0.000 1.135 382 R HN 0.530 nan 8.270 nan 0.000 0.560 383 P HA 0.039 nan 4.420 nan 0.000 0.255 383 P C 0.362 177.632 177.300 -0.051 0.000 1.248 383 P CA 0.311 63.382 63.100 -0.049 0.000 0.807 383 P CB 0.448 32.134 31.700 -0.024 0.000 1.150 384 D N -0.992 119.376 120.400 -0.053 0.000 2.350 384 D HA 0.035 4.674 4.640 -0.000 0.000 0.213 384 D C 0.474 176.709 176.300 -0.109 0.000 1.031 384 D CA 0.332 54.295 54.000 -0.062 0.000 0.861 384 D CB 0.059 40.830 40.800 -0.048 0.000 0.926 384 D HN 0.184 nan 8.370 nan 0.000 0.520 385 L N -0.529 120.613 121.223 -0.135 0.000 2.283 385 L HA 0.497 4.837 4.340 -0.000 0.000 0.259 385 L C -2.381 174.345 176.870 -0.240 0.000 1.027 385 L CA -2.467 52.233 54.840 -0.233 0.000 0.828 385 L CB 1.634 43.577 42.059 -0.193 0.000 1.380 385 L HN -0.380 nan 8.230 nan 0.000 0.425 386 P HA -0.028 nan 4.420 nan 0.000 0.269 386 P C -0.778 176.321 177.300 -0.334 0.000 1.217 386 P CA -0.214 62.684 63.100 -0.336 0.000 0.783 386 P CB 0.579 32.019 31.700 -0.433 0.000 0.898 387 V N 1.864 121.608 119.914 -0.284 0.000 2.572 387 V HA 0.414 4.533 4.120 -0.000 0.000 0.291 387 V C 1.150 177.014 176.094 -0.383 0.000 1.039 387 V CA 1.898 64.047 62.300 -0.253 0.000 1.055 387 V CB -0.207 31.513 31.823 -0.172 0.000 0.969 387 V HN 0.921 nan 8.190 nan 0.000 0.482 388 G N 5.448 114.035 108.800 -0.354 0.000 2.421 388 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.188 388 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.188 388 G C 0.107 174.805 174.900 -0.337 0.000 1.001 388 G CA 0.137 44.990 45.100 -0.412 0.000 0.693 388 G HN 0.655 nan 8.290 nan 0.000 0.479 389 F N 2.933 122.818 119.950 -0.108 0.000 2.645 389 F HA 0.544 5.071 4.527 -0.000 0.000 0.300 389 F C 1.640 177.348 175.800 -0.153 0.000 1.115 389 F CA -0.588 57.352 58.000 -0.100 0.000 1.355 389 F CB 0.271 39.195 39.000 -0.127 0.000 1.026 389 F HN 0.305 nan 8.300 nan 0.000 0.536 390 G N -0.858 107.902 108.800 -0.068 0.000 2.502 390 G HA2 0.546 4.506 3.960 -0.000 0.000 0.305 390 G HA3 0.546 4.506 3.960 -0.000 0.000 0.305 390 G C 0.432 175.083 174.900 -0.415 0.000 1.190 390 G CA 0.182 45.140 45.100 -0.237 0.000 0.933 390 G HN 0.576 nan 8.290 nan 0.000 0.503 391 G N -1.113 107.174 108.800 -0.856 0.000 2.456 391 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.204 391 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.204 391 G C -0.628 173.599 174.900 -1.122 0.000 1.193 391 G CA -0.416 43.758 45.100 -1.544 0.000 1.220 391 G HN 0.749 nan 8.290 nan 0.000 0.565 392 W N 2.708 123.853 121.300 -0.258 0.000 2.304 392 W HA 0.600 5.260 4.660 -0.000 0.000 0.313 392 W C 0.368 176.849 176.519 -0.064 0.000 1.323 392 W CA -0.226 57.109 57.345 -0.017 0.000 1.223 392 W CB 0.935 30.447 29.460 0.086 0.000 1.237 392 W HN 0.315 nan 8.180 nan 0.000 0.535 393 Q N 2.824 122.756 119.800 0.220 0.000 2.316 393 Q HA 0.573 4.913 4.340 -0.000 0.000 0.264 393 Q C -0.347 175.801 176.000 0.248 0.000 0.987 393 Q CA -0.814 55.080 55.803 0.152 0.000 0.852 393 Q CB 1.864 30.653 28.738 0.085 0.000 1.287 393 Q HN 0.533 nan 8.270 nan 0.000 0.448 394 A N 2.210 125.153 122.820 0.205 0.000 2.320 394 A HA 0.617 4.937 4.320 -0.000 0.000 0.287 394 A C -0.400 177.266 177.584 0.137 0.000 1.181 394 A CA -0.415 51.769 52.037 0.245 0.000 0.831 394 A CB 0.561 19.667 19.000 0.178 0.000 1.102 394 A HN 0.426 nan 8.150 nan 0.000 0.513 395 V N 2.918 122.944 119.914 0.187 0.000 2.577 395 V HA 0.403 4.523 4.120 -0.000 0.000 0.303 395 V C -1.167 174.967 176.094 0.066 0.000 1.042 395 V CA -0.588 61.772 62.300 0.100 0.000 0.872 395 V CB 2.005 33.956 31.823 0.213 0.000 0.998 395 V HN 0.945 nan 8.190 nan 0.000 0.423 396 D N 2.360 122.729 120.400 -0.051 0.000 2.454 396 D HA 0.342 4.981 4.640 -0.000 0.000 0.247 396 D C 0.967 177.240 176.300 -0.045 0.000 1.129 396 D CA -0.289 53.717 54.000 0.010 0.000 0.877 396 D CB 1.861 42.649 40.800 -0.019 0.000 1.082 396 D HN 0.389 nan 8.370 nan 0.000 0.537 397 S N 1.393 117.025 115.700 -0.112 0.000 2.507 397 S HA -0.044 4.426 4.470 -0.000 0.000 0.235 397 S C 0.908 175.442 174.600 -0.108 0.000 0.988 397 S CA 0.287 58.350 58.200 -0.229 0.000 0.944 397 S CB -0.241 62.746 63.200 -0.356 0.000 0.762 397 S HN 0.530 nan 8.310 nan 0.000 0.526 398 T N 4.704 119.358 114.554 0.165 0.000 2.738 398 T HA 0.292 4.642 4.350 -0.000 0.000 0.293 398 T C -2.494 172.345 174.700 0.231 0.000 0.913 398 T CA -1.209 61.094 62.100 0.338 0.000 1.103 398 T CB 0.759 69.944 68.868 0.528 0.000 0.880 398 T HN 0.089 nan 8.240 nan 0.000 0.526 399 P HA 0.214 nan 4.420 nan 0.000 0.270 399 P C -0.517 176.812 177.300 0.048 0.000 1.223 399 P CA -0.369 62.741 63.100 0.018 0.000 0.785 399 P CB 0.424 32.072 31.700 -0.085 0.000 0.923 400 Q N -0.863 118.865 119.800 -0.121 0.000 2.545 400 Q HA 0.273 4.613 4.340 -0.000 0.000 0.273 400 Q C -1.330 174.519 176.000 -0.252 0.000 0.975 400 Q CA -0.964 54.695 55.803 -0.239 0.000 0.876 400 Q CB 0.877 29.288 28.738 -0.546 0.000 1.472 400 Q HN 0.168 nan 8.270 nan 0.000 0.389 401 E N 2.490 122.553 120.200 -0.229 0.000 2.480 401 E HA 0.052 4.402 4.350 -0.000 0.000 0.258 401 E C -0.516 175.788 176.600 -0.495 0.000 0.984 401 E CA 0.741 56.995 56.400 -0.244 0.000 0.930 401 E CB 0.423 30.039 29.700 -0.141 0.000 0.936 401 E HN 0.708 nan 8.360 nan 0.000 0.466 402 N N -0.310 118.047 118.700 -0.571 0.000 3.427 402 N HA 0.157 4.897 4.740 -0.000 0.000 0.364 402 N C 0.628 175.827 175.510 -0.519 0.000 1.538 402 N CA -0.453 51.898 53.050 -1.164 0.000 0.662 402 N CB -0.264 37.642 38.487 -0.968 0.000 1.881 402 N HN 0.078 nan 8.380 nan 0.000 0.634 403 S N -0.748 114.757 115.700 -0.325 0.000 2.382 403 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 403 S C 0.503 175.065 174.600 -0.063 0.000 1.027 403 S CA 1.383 59.541 58.200 -0.069 0.000 0.991 403 S CB -0.490 62.717 63.200 0.011 0.000 0.823 403 S HN 0.588 nan 8.310 nan 0.000 0.469 404 D N 0.969 121.319 120.400 -0.082 0.000 2.271 404 D HA 0.260 4.899 4.640 -0.000 0.000 0.206 404 D C 1.160 177.524 176.300 0.107 0.000 0.967 404 D CA 0.935 54.907 54.000 -0.045 0.000 0.867 404 D CB -0.050 40.617 40.800 -0.221 0.000 0.960 404 D HN 0.547 nan 8.370 nan 0.000 0.509 405 G N 1.236 110.109 108.800 0.121 0.000 2.743 405 G HA2 0.009 3.968 3.960 -0.000 0.000 0.192 405 G HA3 0.009 3.968 3.960 -0.000 0.000 0.192 405 G C 0.026 174.900 174.900 -0.043 0.000 1.077 405 G CA -0.222 44.932 45.100 0.091 0.000 0.956 405 G HN 0.119 nan 8.290 nan 0.000 0.556 406 M N -1.113 118.410 119.600 -0.128 0.000 3.222 406 M HA -0.089 4.390 4.480 -0.000 0.000 0.177 406 M C -1.230 174.756 176.300 -0.522 0.000 1.266 406 M CA 0.459 55.584 55.300 -0.290 0.000 0.823 406 M CB -1.887 30.531 32.600 -0.304 0.000 1.324 406 M HN 0.999 nan 8.290 nan 0.000 0.680 407 Y N -0.264 119.932 120.300 -0.173 0.000 2.677 407 Y HA 0.797 5.347 4.550 -0.000 0.000 0.334 407 Y C 0.422 176.219 175.900 -0.171 0.000 1.154 407 Y CA -0.840 57.160 58.100 -0.166 0.000 1.070 407 Y CB 0.949 39.305 38.460 -0.173 0.000 1.294 407 Y HN 0.551 nan 8.280 nan 0.000 0.475 408 R N -0.096 120.403 120.500 -0.002 0.000 2.827 408 R HA 0.458 4.798 4.340 -0.000 0.000 0.269 408 R C -1.222 175.032 176.300 -0.075 0.000 1.048 408 R CA -0.349 55.700 56.100 -0.085 0.000 1.173 408 R CB -0.384 29.806 30.300 -0.184 0.000 1.070 408 R HN 0.488 nan 8.270 nan 0.000 0.498 409 C N 0.817 120.067 119.300 -0.084 0.000 2.507 409 C HA 0.924 5.384 4.460 -0.000 0.000 0.319 409 C C 0.597 175.560 174.990 -0.045 0.000 1.208 409 C CA 0.663 59.644 59.018 -0.062 0.000 1.619 409 C CB 0.637 28.346 27.740 -0.051 0.000 2.230 409 C HN 1.145 nan 8.230 nan 0.000 0.492 410 G N 4.365 113.180 108.800 0.025 0.000 2.610 410 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.304 410 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.304 410 G C -3.336 171.587 174.900 0.039 0.000 1.309 410 G CA -1.166 43.993 45.100 0.098 0.000 0.906 410 G HN 0.493 nan 8.290 nan 0.000 0.521 411 P HA 0.437 nan 4.420 nan 0.000 0.263 411 P C -0.117 177.315 177.300 0.220 0.000 1.195 411 P CA 1.105 64.319 63.100 0.190 0.000 0.762 411 P CB 0.878 32.696 31.700 0.197 0.000 0.799 412 A N 3.015 125.908 122.820 0.122 0.000 2.331 412 A HA 0.520 4.840 4.320 -0.000 0.000 0.320 412 A C 0.181 177.785 177.584 0.033 0.000 1.138 412 A CA -0.567 51.512 52.037 0.070 0.000 0.790 412 A CB 0.879 19.908 19.000 0.048 0.000 1.206 412 A HN 0.409 nan 8.150 nan 0.000 0.470 413 S N 2.016 117.705 115.700 -0.017 0.000 2.510 413 S HA 0.195 4.665 4.470 -0.000 0.000 0.279 413 S C 1.303 175.872 174.600 -0.051 0.000 1.284 413 S CA -0.349 57.834 58.200 -0.028 0.000 1.059 413 S CB 0.342 63.504 63.200 -0.062 0.000 0.901 413 S HN 0.731 nan 8.310 nan 0.000 0.491 414 V N 5.617 125.496 119.914 -0.058 0.000 2.332 414 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 414 V C 2.710 178.698 176.094 -0.177 0.000 1.055 414 V CA 1.773 63.939 62.300 -0.223 0.000 1.038 414 V CB -0.656 30.966 31.823 -0.335 0.000 0.651 414 V HN 0.845 nan 8.190 nan 0.000 0.450 415 Q N -0.679 119.099 119.800 -0.037 0.000 2.297 415 Q HA -0.165 4.175 4.340 -0.000 0.000 0.208 415 Q C 2.275 178.351 176.000 0.127 0.000 0.981 415 Q CA 1.748 57.588 55.803 0.062 0.000 0.876 415 Q CB -0.239 28.681 28.738 0.303 0.000 0.921 415 Q HN 0.701 nan 8.270 nan 0.000 0.446 416 A N 0.144 122.952 122.820 -0.021 0.000 1.984 416 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 416 A C 1.916 179.495 177.584 -0.009 0.000 1.173 416 A CA 0.258 52.205 52.037 -0.151 0.000 0.673 416 A CB -0.041 18.642 19.000 -0.528 0.000 0.830 416 A HN 0.169 nan 8.150 nan 0.000 0.453 417 I N 0.496 121.071 120.570 0.009 0.000 2.142 417 I HA -0.211 3.959 4.170 -0.000 0.000 0.240 417 I C 2.325 178.567 176.117 0.208 0.000 1.078 417 I CA 1.868 63.278 61.300 0.184 0.000 1.343 417 I CB -1.214 36.850 38.000 0.107 0.000 1.046 417 I HN 0.404 nan 8.210 nan 0.000 0.405 418 K N 0.495 120.863 120.400 -0.053 0.000 2.113 418 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 418 K C 1.465 178.053 176.600 -0.020 0.000 1.047 418 K CA 1.739 57.914 56.287 -0.188 0.000 0.928 418 K CB -0.130 32.047 32.500 -0.537 0.000 0.716 418 K HN 0.497 nan 8.250 nan 0.000 0.446 419 H N -1.914 117.290 119.070 0.222 0.000 2.505 419 H HA 0.246 4.802 4.556 -0.000 0.000 0.289 419 H C 0.705 175.966 175.328 -0.112 0.000 1.052 419 H CA 0.145 56.308 56.048 0.192 0.000 1.156 419 H CB 1.028 30.880 29.762 0.151 0.000 1.507 419 H HN 0.475 nan 8.280 nan 0.000 0.548 420 G N 1.182 110.052 108.800 0.116 0.000 2.168 420 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.257 420 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.257 420 G C -0.151 174.611 174.900 -0.231 0.000 0.997 420 G CA -0.069 44.936 45.100 -0.158 0.000 0.708 420 G HN 0.514 nan 8.290 nan 0.000 0.520 421 H N 0.511 119.614 119.070 0.055 0.000 2.998 421 H HA 0.309 4.865 4.556 -0.000 0.000 0.241 421 H C 1.806 176.972 175.328 -0.270 0.000 1.852 421 H CA 0.458 56.475 56.048 -0.052 0.000 1.419 421 H CB -0.044 29.742 29.762 0.040 0.000 1.793 421 H HN 0.506 nan 8.280 nan 0.000 0.553 422 V N -0.854 118.961 119.914 -0.166 0.000 3.630 422 V HA -0.090 4.030 4.120 -0.000 0.000 0.273 422 V C 1.949 177.856 176.094 -0.312 0.000 1.248 422 V CA 0.533 62.688 62.300 -0.242 0.000 1.170 422 V CB -1.369 30.258 31.823 -0.328 0.000 0.899 422 V HN 0.635 nan 8.190 nan 0.000 0.457 423 C N -2.077 116.847 119.300 -0.627 0.000 2.514 423 C HA 0.386 4.846 4.460 -0.000 0.000 0.271 423 C C 0.909 175.492 174.990 -0.677 0.000 1.399 423 C CA -0.736 57.825 59.018 -0.762 0.000 1.765 423 C CB -1.645 25.300 27.740 -1.324 0.000 1.893 423 C HN 0.355 nan 8.230 nan 0.000 0.531 424 F N 3.493 123.262 119.950 -0.302 0.000 2.410 424 F HA 0.369 4.896 4.527 -0.000 0.000 0.348 424 F C 1.103 176.739 175.800 -0.274 0.000 1.106 424 F CA -1.146 56.684 58.000 -0.284 0.000 1.163 424 F CB 0.274 39.083 39.000 -0.318 0.000 1.129 424 F HN 0.372 nan 8.300 nan 0.000 0.516 425 Q N 1.737 121.458 119.800 -0.132 0.000 2.427 425 Q HA -0.025 4.315 4.340 -0.000 0.000 0.310 425 Q C -1.088 174.718 176.000 -0.325 0.000 1.167 425 Q CA -0.053 55.531 55.803 -0.366 0.000 0.991 425 Q CB -0.025 28.257 28.738 -0.760 0.000 1.287 425 Q HN 0.546 nan 8.270 nan 0.000 0.443 426 F N 0.697 120.649 119.950 0.003 0.000 2.444 426 F HA -0.135 4.392 4.527 -0.000 0.000 0.447 426 F C -0.345 175.459 175.800 0.007 0.000 1.176 426 F CA 0.846 58.842 58.000 -0.007 0.000 1.427 426 F CB -2.596 36.397 39.000 -0.012 0.000 2.142 426 F HN 0.905 nan 8.300 nan 0.000 0.763 427 D N -1.472 119.060 120.400 0.220 0.000 2.733 427 D HA -0.290 4.349 4.640 -0.000 0.000 0.232 427 D C 1.552 177.975 176.300 0.206 0.000 1.161 427 D CA 0.898 55.040 54.000 0.237 0.000 0.653 427 D CB -1.017 39.886 40.800 0.172 0.000 1.052 427 D HN 0.735 nan 8.370 nan 0.000 0.424 428 A N 0.653 123.529 122.820 0.094 0.000 1.927 428 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 428 A C 0.392 177.993 177.584 0.028 0.000 1.185 428 A CA 2.117 54.177 52.037 0.038 0.000 0.639 428 A CB -1.079 17.901 19.000 -0.033 0.000 0.820 428 A HN 0.381 nan 8.150 nan 0.000 0.451 429 P HA -0.145 nan 4.420 nan 0.000 0.217 429 P C 1.101 178.218 177.300 -0.306 0.000 1.150 429 P CA 1.113 64.065 63.100 -0.246 0.000 0.832 429 P CB -0.329 31.107 31.700 -0.440 0.000 0.787 430 F N 0.094 120.033 119.950 -0.018 0.000 2.325 430 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 430 F C 2.458 178.205 175.800 -0.087 0.000 1.090 430 F CA 0.967 58.930 58.000 -0.061 0.000 1.392 430 F CB -1.287 37.654 39.000 -0.099 0.000 1.053 430 F HN -0.169 nan 8.300 nan 0.000 0.521 431 V N -1.382 118.561 119.914 0.047 0.000 3.354 431 V HA -0.064 4.056 4.120 -0.000 0.000 0.258 431 V C 1.813 177.910 176.094 0.006 0.000 1.159 431 V CA 0.808 63.050 62.300 -0.097 0.000 1.125 431 V CB -0.556 31.132 31.823 -0.224 0.000 0.774 431 V HN 0.282 nan 8.190 nan 0.000 0.464 432 F N 1.956 121.861 119.950 -0.074 0.000 2.149 432 F HA 0.239 4.766 4.527 -0.000 0.000 0.294 432 F C 2.318 178.103 175.800 -0.026 0.000 1.095 432 F CA 1.658 59.642 58.000 -0.026 0.000 1.276 432 F CB -0.394 38.574 39.000 -0.054 0.000 1.023 432 F HN 0.204 nan 8.300 nan 0.000 0.480 433 A N -0.164 122.741 122.820 0.141 0.000 2.172 433 A HA -0.110 4.209 4.320 -0.000 0.000 0.216 433 A C 1.980 179.554 177.584 -0.017 0.000 1.154 433 A CA 1.240 53.299 52.037 0.038 0.000 0.701 433 A CB -0.710 18.291 19.000 0.001 0.000 0.789 433 A HN 0.487 nan 8.150 nan 0.000 0.465 434 E N -1.068 119.119 120.200 -0.021 0.000 2.347 434 E HA -0.025 4.325 4.350 -0.000 0.000 0.196 434 E C 0.795 177.439 176.600 0.074 0.000 1.008 434 E CA 0.879 57.290 56.400 0.017 0.000 0.852 434 E CB 0.287 29.982 29.700 -0.009 0.000 0.783 434 E HN 0.341 nan 8.360 nan 0.000 0.505 435 V N 0.624 120.545 119.914 0.011 0.000 3.329 435 V HA 0.163 4.283 4.120 -0.000 0.000 0.317 435 V C 0.059 176.110 176.094 -0.072 0.000 1.495 435 V CA 0.043 62.357 62.300 0.023 0.000 1.105 435 V CB 0.195 32.065 31.823 0.078 0.000 0.985 435 V HN 0.088 nan 8.190 nan 0.000 0.475 436 N N -0.340 118.276 118.700 -0.140 0.000 2.217 436 N HA 0.214 4.954 4.740 -0.000 0.000 0.239 436 N C 0.080 175.548 175.510 -0.071 0.000 1.330 436 N CA 0.013 52.955 53.050 -0.180 0.000 0.838 436 N CB 1.263 39.447 38.487 -0.506 0.000 1.287 436 N HN 0.269 nan 8.380 nan 0.000 0.498 437 S N 0.603 116.291 115.700 -0.020 0.000 2.603 437 S HA 0.252 4.722 4.470 -0.000 0.000 0.268 437 S C -0.240 174.366 174.600 0.010 0.000 1.317 437 S CA -0.157 58.044 58.200 0.003 0.000 1.012 437 S CB 1.324 64.529 63.200 0.009 0.000 0.926 437 S HN 0.078 nan 8.310 nan 0.000 0.539 438 D N 1.223 121.621 120.400 -0.003 0.000 2.185 438 D HA 0.393 5.033 4.640 -0.000 0.000 0.247 438 D C -0.469 175.801 176.300 -0.050 0.000 1.027 438 D CA -0.349 53.645 54.000 -0.009 0.000 0.861 438 D CB 1.026 41.820 40.800 -0.009 0.000 1.202 438 D HN 0.281 nan 8.370 nan 0.000 0.453 439 L N 2.611 123.792 121.223 -0.070 0.000 2.290 439 L HA 0.383 4.723 4.340 -0.000 0.000 0.284 439 L C -0.128 176.601 176.870 -0.234 0.000 1.078 439 L CA -0.491 54.230 54.840 -0.199 0.000 0.815 439 L CB 0.835 42.749 42.059 -0.241 0.000 1.162 439 L HN 0.165 nan 8.230 nan 0.000 0.435 440 I N 3.729 124.103 120.570 -0.327 0.000 2.389 440 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 440 I C -0.731 175.144 176.117 -0.404 0.000 0.999 440 I CA -0.502 60.649 61.300 -0.248 0.000 1.129 440 I CB 1.562 39.442 38.000 -0.201 0.000 1.288 440 I HN 0.414 nan 8.210 nan 0.000 0.444 441 Y N 6.563 126.785 120.300 -0.130 0.000 2.335 441 Y HA 0.555 5.105 4.550 -0.000 0.000 0.339 441 Y C 0.222 176.037 175.900 -0.141 0.000 0.987 441 Y CA -0.368 57.647 58.100 -0.143 0.000 1.140 441 Y CB 1.495 39.904 38.460 -0.084 0.000 1.173 441 Y HN 0.360 nan 8.280 nan 0.000 0.486 442 I N 1.713 122.238 120.570 -0.074 0.000 2.689 442 I HA 0.366 4.536 4.170 -0.000 0.000 0.299 442 I C -0.312 175.855 176.117 0.084 0.000 1.059 442 I CA -0.780 60.505 61.300 -0.026 0.000 1.055 442 I CB 2.360 40.271 38.000 -0.148 0.000 1.243 442 I HN 0.410 nan 8.210 nan 0.000 0.425 443 T N 4.132 118.747 114.554 0.103 0.000 2.733 443 T HA 0.425 4.775 4.350 -0.000 0.000 0.294 443 T C 0.132 174.893 174.700 0.102 0.000 0.956 443 T CA -0.427 61.727 62.100 0.091 0.000 0.987 443 T CB 0.792 69.697 68.868 0.061 0.000 0.920 443 T HN 0.629 nan 8.240 nan 0.000 0.470 444 A N 5.390 128.239 122.820 0.049 0.000 2.915 444 A HA 0.301 4.621 4.320 -0.000 0.000 0.292 444 A C 0.875 178.475 177.584 0.026 0.000 1.632 444 A CA -0.368 51.636 52.037 -0.055 0.000 1.337 444 A CB -0.274 18.594 19.000 -0.219 0.000 1.111 444 A HN 0.770 nan 8.150 nan 0.000 0.569 445 K N 0.212 120.674 120.400 0.102 0.000 2.244 445 K HA 0.074 4.394 4.320 -0.000 0.000 0.242 445 K C 0.996 177.622 176.600 0.044 0.000 1.082 445 K CA -0.143 56.184 56.287 0.066 0.000 0.841 445 K CB 0.250 32.794 32.500 0.073 0.000 1.129 445 K HN 0.377 nan 8.250 nan 0.000 0.516 446 K N 1.246 121.661 120.400 0.026 0.000 2.099 446 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 446 K C 0.695 177.299 176.600 0.007 0.000 1.047 446 K CA 1.517 57.811 56.287 0.012 0.000 0.963 446 K CB -0.325 32.179 32.500 0.006 0.000 0.759 446 K HN 0.581 nan 8.250 nan 0.000 0.451 447 D N -0.641 119.762 120.400 0.006 0.000 2.396 447 D HA 0.087 4.727 4.640 -0.000 0.000 0.255 447 D C 0.869 177.157 176.300 -0.020 0.000 1.224 447 D CA 0.722 54.718 54.000 -0.006 0.000 0.894 447 D CB -0.646 40.150 40.800 -0.006 0.000 0.939 447 D HN 0.354 nan 8.370 nan 0.000 0.506 448 G N -0.576 108.217 108.800 -0.011 0.000 2.189 448 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 448 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 448 G C 0.441 175.266 174.900 -0.124 0.000 0.975 448 G CA 0.665 45.742 45.100 -0.038 0.000 0.644 448 G HN 0.519 nan 8.290 nan 0.000 0.537 449 T N 1.226 115.747 114.554 -0.056 0.000 2.918 449 T HA 0.648 4.998 4.350 -0.000 0.000 0.283 449 T C -0.342 174.449 174.700 0.152 0.000 1.001 449 T CA -0.290 61.757 62.100 -0.088 0.000 1.041 449 T CB 1.452 70.301 68.868 -0.031 0.000 1.028 449 T HN 0.325 nan 8.240 nan 0.000 0.511 450 H N -0.029 119.067 119.070 0.042 0.000 2.637 450 H HA 0.702 5.258 4.556 -0.000 0.000 0.363 450 H C -0.949 174.418 175.328 0.066 0.000 1.131 450 H CA -0.977 55.120 56.048 0.081 0.000 1.183 450 H CB 1.518 31.364 29.762 0.140 0.000 1.637 450 H HN 0.409 nan 8.280 nan 0.000 0.531 451 V N 3.285 123.315 119.914 0.194 0.000 2.577 451 V HA 0.341 4.461 4.120 -0.000 0.000 0.303 451 V C -0.678 175.470 176.094 0.091 0.000 1.042 451 V CA -0.828 61.539 62.300 0.112 0.000 0.872 451 V CB 1.755 33.624 31.823 0.077 0.000 0.998 451 V HN 0.599 nan 8.190 nan 0.000 0.423 452 V N 7.185 127.140 119.914 0.068 0.000 2.470 452 V HA 0.422 4.541 4.120 -0.000 0.000 0.276 452 V C 0.998 177.118 176.094 0.043 0.000 1.040 452 V CA 0.349 62.675 62.300 0.044 0.000 1.008 452 V CB 1.285 33.124 31.823 0.027 0.000 0.990 452 V HN 1.033 nan 8.190 nan 0.000 0.477 453 E N 4.959 125.190 120.200 0.052 0.000 2.030 453 E HA 0.092 4.442 4.350 -0.000 0.000 0.189 453 E C 0.625 177.247 176.600 0.037 0.000 0.974 453 E CA 0.763 57.187 56.400 0.039 0.000 0.807 453 E CB 0.120 29.840 29.700 0.033 0.000 0.771 453 E HN 0.851 nan 8.360 nan 0.000 0.451 454 N N -0.122 118.627 118.700 0.081 0.000 2.494 454 N HA 0.225 4.965 4.740 -0.000 0.000 0.270 454 N C -1.434 174.183 175.510 0.179 0.000 1.285 454 N CA -0.352 52.749 53.050 0.084 0.000 0.812 454 N CB 2.710 41.200 38.487 0.004 0.000 1.557 454 N HN -0.093 nan 8.380 nan 0.000 0.487 455 V N -0.120 119.870 119.914 0.126 0.000 2.588 455 V HA 0.570 4.690 4.120 -0.000 0.000 0.304 455 V C -1.086 175.074 176.094 0.110 0.000 1.042 455 V CA -0.702 61.661 62.300 0.105 0.000 0.877 455 V CB 1.576 33.424 31.823 0.043 0.000 0.996 455 V HN 0.666 nan 8.190 nan 0.000 0.425 456 D N 4.156 124.622 120.400 0.110 0.000 2.460 456 D HA 0.646 5.286 4.640 -0.000 0.000 0.232 456 D C 0.610 176.947 176.300 0.061 0.000 1.079 456 D CA 0.082 54.142 54.000 0.100 0.000 0.864 456 D CB 1.740 42.628 40.800 0.147 0.000 1.048 456 D HN 0.907 nan 8.370 nan 0.000 0.523 457 A N 2.745 125.598 122.820 0.055 0.000 2.302 457 A HA 0.134 4.454 4.320 -0.000 0.000 0.219 457 A C 1.340 178.958 177.584 0.057 0.000 1.243 457 A CA 0.670 52.735 52.037 0.047 0.000 0.856 457 A CB -0.163 18.860 19.000 0.038 0.000 0.893 457 A HN 0.539 nan 8.150 nan 0.000 0.491 458 T N -5.959 108.641 114.554 0.076 0.000 3.041 458 T HA 0.128 4.478 4.350 -0.000 0.000 0.276 458 T C 1.321 176.084 174.700 0.104 0.000 0.948 458 T CA 0.538 62.686 62.100 0.081 0.000 0.885 458 T CB -0.450 68.459 68.868 0.069 0.000 1.175 458 T HN 0.389 nan 8.240 nan 0.000 0.529 459 H N 1.457 120.516 119.070 -0.019 0.000 2.326 459 H HA 0.214 4.770 4.556 -0.000 0.000 0.301 459 H C 1.884 177.214 175.328 0.003 0.000 1.081 459 H CA 1.268 57.243 56.048 -0.122 0.000 1.334 459 H CB -0.479 29.137 29.762 -0.244 0.000 1.385 459 H HN 0.177 nan 8.280 nan 0.000 0.504 460 I N 0.154 120.791 120.570 0.111 0.000 2.450 460 I HA -0.176 3.994 4.170 -0.000 0.000 0.260 460 I C 1.210 177.425 176.117 0.164 0.000 1.145 460 I CA 2.013 63.394 61.300 0.135 0.000 1.413 460 I CB -0.524 37.534 38.000 0.097 0.000 1.090 460 I HN 0.529 nan 8.210 nan 0.000 0.445 461 G N -0.870 108.021 108.800 0.153 0.000 4.836 461 G HA2 0.085 4.045 3.960 -0.000 0.000 0.222 461 G HA3 0.085 4.045 3.960 -0.000 0.000 0.222 461 G C 0.756 175.721 174.900 0.107 0.000 1.332 461 G CA -0.131 45.044 45.100 0.124 0.000 0.606 461 G HN 0.140 nan 8.290 nan 0.000 0.357 462 K N 0.015 120.518 120.400 0.172 0.000 2.057 462 K HA 0.173 4.493 4.320 -0.000 0.000 0.207 462 K C 0.532 177.167 176.600 0.058 0.000 1.049 462 K CA 0.882 57.245 56.287 0.127 0.000 0.931 462 K CB 0.056 32.676 32.500 0.200 0.000 0.714 462 K HN 0.351 nan 8.250 nan 0.000 0.440 463 L N 1.174 122.438 121.223 0.067 0.000 2.470 463 L HA 0.421 4.761 4.340 -0.000 0.000 0.268 463 L C -1.638 175.252 176.870 0.033 0.000 0.964 463 L CA -0.778 54.086 54.840 0.039 0.000 0.839 463 L CB 1.816 43.875 42.059 -0.001 0.000 1.276 463 L HN 0.010 nan 8.230 nan 0.000 0.403 464 I N 4.853 125.371 120.570 -0.086 0.000 2.406 464 I HA 0.552 4.722 4.170 -0.000 0.000 0.290 464 I C -0.538 175.450 176.117 -0.215 0.000 0.999 464 I CA -0.499 60.661 61.300 -0.233 0.000 1.124 464 I CB 2.036 39.828 38.000 -0.346 0.000 1.289 464 I HN 0.248 nan 8.210 nan 0.000 0.441 465 V N 4.961 124.708 119.914 -0.279 0.000 3.078 465 V HA 0.775 4.894 4.120 -0.000 0.000 0.311 465 V C -0.834 175.046 176.094 -0.357 0.000 1.138 465 V CA -0.105 61.995 62.300 -0.334 0.000 1.007 465 V CB 2.707 34.291 31.823 -0.398 0.000 1.045 465 V HN 0.802 nan 8.190 nan 0.000 0.432 466 T N 3.118 117.459 114.554 -0.356 0.000 2.889 466 T HA 0.360 4.710 4.350 -0.000 0.000 0.315 466 T C -1.027 173.639 174.700 -0.055 0.000 1.291 466 T CA -0.601 61.402 62.100 -0.162 0.000 1.028 466 T CB 1.539 70.314 68.868 -0.157 0.000 1.235 466 T HN 0.963 nan 8.240 nan 0.000 0.491 467 K N 2.785 123.334 120.400 0.248 0.000 2.489 467 K HA 0.121 4.441 4.320 -0.000 0.000 0.278 467 K C 0.620 177.296 176.600 0.126 0.000 1.000 467 K CA -0.064 56.413 56.287 0.316 0.000 1.012 467 K CB 0.366 33.025 32.500 0.265 0.000 0.903 467 K HN 0.700 nan 8.250 nan 0.000 0.485 468 Q N 3.268 123.121 119.800 0.087 0.000 2.312 468 Q HA 0.097 4.437 4.340 -0.000 0.000 0.236 468 Q C 0.787 176.779 176.000 -0.014 0.000 0.965 468 Q CA -0.420 55.395 55.803 0.021 0.000 0.894 468 Q CB 0.871 29.611 28.738 0.005 0.000 1.225 468 Q HN 0.680 nan 8.270 nan 0.000 0.478 469 I N 1.720 122.252 120.570 -0.063 0.000 2.226 469 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 469 I C 2.098 178.150 176.117 -0.108 0.000 1.100 469 I CA 1.523 62.734 61.300 -0.149 0.000 1.374 469 I CB -0.720 37.167 38.000 -0.188 0.000 1.057 469 I HN 1.038 nan 8.210 nan 0.000 0.413 470 G N 0.013 108.771 108.800 -0.070 0.000 2.628 470 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.217 470 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.217 470 G C 0.973 175.830 174.900 -0.071 0.000 1.240 470 G CA 1.199 46.262 45.100 -0.062 0.000 0.792 470 G HN 0.542 nan 8.290 nan 0.000 0.593 471 G N -1.440 107.330 108.800 -0.051 0.000 3.319 471 G HA2 0.350 4.310 3.960 -0.000 0.000 0.158 471 G HA3 0.350 4.310 3.960 -0.000 0.000 0.158 471 G C -0.352 174.535 174.900 -0.022 0.000 1.205 471 G CA 0.600 45.661 45.100 -0.065 0.000 1.252 471 G HN 0.041 nan 8.290 nan 0.000 0.668 472 D N 1.144 121.538 120.400 -0.011 0.000 2.328 472 D HA 0.235 4.875 4.640 -0.000 0.000 0.226 472 D C 1.335 177.688 176.300 0.089 0.000 1.066 472 D CA 0.414 54.422 54.000 0.015 0.000 0.861 472 D CB 0.225 41.014 40.800 -0.019 0.000 0.912 472 D HN 0.403 nan 8.370 nan 0.000 0.521 473 G N 0.875 109.735 108.800 0.100 0.000 2.599 473 G HA2 0.410 4.370 3.960 -0.000 0.000 0.264 473 G HA3 0.410 4.370 3.960 -0.000 0.000 0.264 473 G C 0.387 175.439 174.900 0.253 0.000 1.200 473 G CA -0.611 44.577 45.100 0.145 0.000 0.896 473 G HN 0.138 nan 8.290 nan 0.000 0.536 474 M N -0.318 119.359 119.600 0.127 0.000 2.359 474 M HA 0.743 5.223 4.480 -0.000 0.000 0.322 474 M C -0.347 175.819 176.300 -0.224 0.000 1.166 474 M CA -0.458 54.658 55.300 -0.306 0.000 1.067 474 M CB 1.736 33.959 32.600 -0.629 0.000 1.523 474 M HN 0.398 nan 8.290 nan 0.000 0.467 475 M N 2.672 122.095 119.600 -0.296 0.000 2.151 475 M HA 0.279 4.759 4.480 -0.000 0.000 0.290 475 M C -1.534 174.651 176.300 -0.192 0.000 0.965 475 M CA -0.551 54.648 55.300 -0.169 0.000 0.930 475 M CB 1.646 34.187 32.600 -0.098 0.000 1.560 475 M HN 0.866 nan 8.290 nan 0.000 0.438 476 D N 5.655 125.970 120.400 -0.141 0.000 2.342 476 D HA 0.138 4.778 4.640 -0.000 0.000 0.260 476 D C 0.563 176.813 176.300 -0.083 0.000 1.278 476 D CA 0.076 54.004 54.000 -0.120 0.000 0.910 476 D CB 0.330 41.079 40.800 -0.086 0.000 1.079 476 D HN 0.689 nan 8.370 nan 0.000 0.496 477 I N 0.837 121.353 120.570 -0.090 0.000 3.877 477 I HA 0.139 4.309 4.170 -0.000 0.000 0.332 477 I C 0.896 177.027 176.117 0.023 0.000 1.525 477 I CA -0.502 60.777 61.300 -0.034 0.000 1.146 477 I CB 0.212 38.185 38.000 -0.046 0.000 1.137 477 I HN -0.009 nan 8.210 nan 0.000 0.424 478 T N 1.947 116.496 114.554 -0.009 0.000 2.720 478 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 478 T C 1.503 176.238 174.700 0.059 0.000 1.037 478 T CA 2.342 64.453 62.100 0.017 0.000 1.144 478 T CB -0.433 68.431 68.868 -0.007 0.000 0.864 478 T HN 0.705 nan 8.240 nan 0.000 0.444 479 D N 1.803 122.217 120.400 0.023 0.000 2.384 479 D HA -0.104 4.536 4.640 -0.000 0.000 0.222 479 D C 1.997 178.262 176.300 -0.058 0.000 0.976 479 D CA 1.384 55.374 54.000 -0.017 0.000 0.915 479 D CB -0.905 39.885 40.800 -0.017 0.000 0.896 479 D HN 0.568 nan 8.370 nan 0.000 0.523 480 T N -2.248 112.317 114.554 0.019 0.000 2.851 480 T HA -0.146 4.204 4.350 -0.000 0.000 0.262 480 T C 1.826 176.457 174.700 -0.115 0.000 1.043 480 T CA 0.616 62.693 62.100 -0.038 0.000 1.140 480 T CB -0.824 68.053 68.868 0.014 0.000 0.872 480 T HN 0.111 nan 8.240 nan 0.000 0.446 481 Y N 3.079 123.337 120.300 -0.070 0.000 2.519 481 Y HA 0.347 4.897 4.550 -0.000 0.000 0.287 481 Y C 1.087 176.916 175.900 -0.117 0.000 1.128 481 Y CA -0.154 57.914 58.100 -0.054 0.000 1.282 481 Y CB 0.100 38.576 38.460 0.026 0.000 1.027 481 Y HN 0.453 nan 8.280 nan 0.000 0.551 482 K N -1.598 118.797 120.400 -0.008 0.000 2.575 482 K HA 0.348 4.668 4.320 -0.000 0.000 0.279 482 K C -1.533 175.019 176.600 -0.079 0.000 0.969 482 K CA -0.783 55.486 56.287 -0.030 0.000 0.868 482 K CB 0.854 33.385 32.500 0.052 0.000 1.457 482 K HN -0.176 nan 8.250 nan 0.000 0.426 483 F N 1.408 121.384 119.950 0.044 0.000 2.370 483 F HA 0.266 4.793 4.527 -0.000 0.000 0.319 483 F C 0.781 176.607 175.800 0.044 0.000 1.129 483 F CA -0.470 57.562 58.000 0.054 0.000 1.109 483 F CB 0.986 40.027 39.000 0.068 0.000 1.262 483 F HN 0.369 nan 8.300 nan 0.000 0.534 484 Q N 0.786 120.739 119.800 0.256 0.000 2.337 484 Q HA 0.079 4.419 4.340 -0.000 0.000 0.270 484 Q C -0.108 175.973 176.000 0.134 0.000 1.002 484 Q CA -0.172 55.721 55.803 0.149 0.000 0.888 484 Q CB 0.578 29.386 28.738 0.117 0.000 1.222 484 Q HN 0.525 nan 8.270 nan 0.000 0.400 485 E N 0.669 120.926 120.200 0.094 0.000 2.436 485 E HA 0.021 4.371 4.350 -0.000 0.000 0.262 485 E C 0.705 177.336 176.600 0.051 0.000 1.063 485 E CA 0.875 57.317 56.400 0.070 0.000 0.944 485 E CB 0.138 29.871 29.700 0.056 0.000 0.950 485 E HN 0.782 nan 8.360 nan 0.000 0.444 486 G N 2.479 111.300 108.800 0.034 0.000 2.245 486 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.264 486 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.264 486 G C 0.173 175.081 174.900 0.013 0.000 0.985 486 G CA 0.873 45.986 45.100 0.021 0.000 0.625 486 G HN 0.698 nan 8.290 nan 0.000 0.536 487 Q N 0.958 120.768 119.800 0.017 0.000 2.299 487 Q HA 0.643 4.982 4.340 -0.000 0.000 0.246 487 Q C 1.347 177.316 176.000 -0.052 0.000 0.935 487 Q CA 0.275 56.079 55.803 0.001 0.000 0.887 487 Q CB 0.945 29.706 28.738 0.038 0.000 1.223 487 Q HN 0.173 nan 8.270 nan 0.000 0.439 488 E N 2.556 122.722 120.200 -0.056 0.000 2.082 488 E HA -0.308 4.042 4.350 -0.000 0.000 0.215 488 E C 1.369 177.869 176.600 -0.165 0.000 1.048 488 E CA 2.279 58.629 56.400 -0.083 0.000 0.869 488 E CB -0.025 29.638 29.700 -0.061 0.000 0.773 488 E HN 0.875 nan 8.360 nan 0.000 0.466 489 E N 0.356 120.392 120.200 -0.272 0.000 2.086 489 E HA -0.249 4.101 4.350 -0.000 0.000 0.200 489 E C 2.052 178.256 176.600 -0.660 0.000 1.012 489 E CA 1.047 57.119 56.400 -0.547 0.000 0.812 489 E CB -0.394 28.770 29.700 -0.893 0.000 0.743 489 E HN 0.407 nan 8.360 nan 0.000 0.453 490 E N 1.510 121.388 120.200 -0.537 0.000 2.085 490 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 490 E C 2.216 178.764 176.600 -0.088 0.000 0.994 490 E CA 1.090 57.359 56.400 -0.218 0.000 0.801 490 E CB -0.122 29.571 29.700 -0.011 0.000 0.743 490 E HN 0.163 nan 8.360 nan 0.000 0.453 491 R N 0.161 120.608 120.500 -0.088 0.000 2.092 491 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 491 R C 2.709 178.983 176.300 -0.043 0.000 1.119 491 R CA 0.893 56.969 56.100 -0.040 0.000 0.970 491 R CB -0.148 30.129 30.300 -0.037 0.000 0.864 491 R HN 0.224 nan 8.270 nan 0.000 0.440 492 L N 0.196 121.368 121.223 -0.085 0.000 2.056 492 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 492 L C 2.716 179.567 176.870 -0.031 0.000 1.078 492 L CA 1.187 55.987 54.840 -0.067 0.000 0.749 492 L CB -0.526 41.481 42.059 -0.087 0.000 0.901 492 L HN 0.298 nan 8.230 nan 0.000 0.433 493 A N 0.103 122.913 122.820 -0.017 0.000 1.883 493 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 493 A C 2.275 179.958 177.584 0.166 0.000 1.186 493 A CA 1.824 53.936 52.037 0.126 0.000 0.624 493 A CB -0.838 18.354 19.000 0.321 0.000 0.822 493 A HN 0.358 nan 8.150 nan 0.000 0.444 494 L N -0.762 120.571 121.223 0.183 0.000 2.046 494 L HA -0.184 4.155 4.340 -0.000 0.000 0.208 494 L C 2.431 179.343 176.870 0.070 0.000 1.077 494 L CA 2.151 57.122 54.840 0.219 0.000 0.747 494 L CB -0.256 41.897 42.059 0.156 0.000 0.896 494 L HN 0.506 nan 8.230 nan 0.000 0.432 495 E N -1.465 118.740 120.200 0.008 0.000 2.338 495 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 495 E C 1.808 178.337 176.600 -0.119 0.000 1.007 495 E CA 1.324 57.694 56.400 -0.050 0.000 0.849 495 E CB 0.162 29.833 29.700 -0.048 0.000 0.774 495 E HN 0.499 nan 8.360 nan 0.000 0.506 496 T N -0.245 114.235 114.554 -0.123 0.000 2.809 496 T HA -0.047 4.303 4.350 -0.000 0.000 0.260 496 T C 1.890 176.382 174.700 -0.347 0.000 1.039 496 T CA 0.959 62.926 62.100 -0.222 0.000 1.141 496 T CB -0.173 68.626 68.868 -0.115 0.000 0.869 496 T HN 0.248 nan 8.240 nan 0.000 0.437 497 A N 1.212 123.845 122.820 -0.312 0.000 2.024 497 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 497 A C 2.104 179.488 177.584 -0.334 0.000 1.164 497 A CA 1.167 52.919 52.037 -0.475 0.000 0.643 497 A CB -0.727 17.617 19.000 -1.093 0.000 0.806 497 A HN 0.346 nan 8.150 nan 0.000 0.451 498 L N -1.888 119.189 121.223 -0.244 0.000 2.291 498 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 498 L C 2.294 179.029 176.870 -0.224 0.000 1.120 498 L CA 1.465 56.198 54.840 -0.179 0.000 0.799 498 L CB -0.589 41.402 42.059 -0.113 0.000 0.925 498 L HN 0.330 nan 8.230 nan 0.000 0.446 499 M N -1.784 117.595 119.600 -0.369 0.000 2.349 499 M HA -0.075 4.405 4.480 -0.000 0.000 0.266 499 M C 0.479 176.529 176.300 -0.417 0.000 1.076 499 M CA 1.197 56.220 55.300 -0.461 0.000 1.126 499 M CB -0.315 31.869 32.600 -0.693 0.000 1.392 499 M HN 0.123 nan 8.290 nan 0.000 0.440 500 Y N -0.446 119.758 120.300 -0.159 0.000 2.867 500 Y HA 0.535 5.085 4.550 -0.000 0.000 0.351 500 Y C 1.488 177.278 175.900 -0.183 0.000 1.046 500 Y CA -0.447 57.546 58.100 -0.179 0.000 1.520 500 Y CB -0.596 37.727 38.460 -0.229 0.000 1.337 500 Y HN 0.403 nan 8.280 nan 0.000 0.525 501 G N -0.426 108.344 108.800 -0.050 0.000 2.234 501 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.235 501 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.235 501 G C 0.614 175.436 174.900 -0.131 0.000 0.997 501 G CA -0.222 44.832 45.100 -0.077 0.000 0.623 501 G HN 0.716 nan 8.290 nan 0.000 0.514 502 A N 0.594 123.311 122.820 -0.172 0.000 2.445 502 A HA 0.613 4.933 4.320 -0.000 0.000 0.242 502 A C 0.520 178.039 177.584 -0.108 0.000 1.075 502 A CA 1.046 52.978 52.037 -0.174 0.000 0.777 502 A CB 0.238 19.124 19.000 -0.190 0.000 1.013 502 A HN 0.998 nan 8.150 nan 0.000 0.493 503 K N 1.133 121.484 120.400 -0.081 0.000 2.371 503 K HA 0.623 4.943 4.320 -0.000 0.000 0.251 503 K C -1.190 175.393 176.600 -0.029 0.000 0.934 503 K CA -0.792 55.464 56.287 -0.051 0.000 0.798 503 K CB 2.295 34.768 32.500 -0.045 0.000 1.204 503 K HN 0.462 nan 8.250 nan 0.000 0.427 504 K N 2.658 123.045 120.400 -0.022 0.000 2.624 504 K HA 0.190 4.510 4.320 -0.000 0.000 0.200 504 K C -1.857 174.735 176.600 -0.013 0.000 1.036 504 K CA -1.935 54.343 56.287 -0.014 0.000 1.029 504 K CB 1.005 33.500 32.500 -0.009 0.000 1.317 504 K HN 0.456 nan 8.250 nan 0.000 0.555 505 P HA -0.147 nan 4.420 nan 0.000 0.216 505 P C 0.232 177.534 177.300 0.004 0.000 1.153 505 P CA 0.620 63.718 63.100 -0.002 0.000 0.844 505 P CB 0.473 32.175 31.700 0.004 0.000 0.787 506 L N 1.693 122.917 121.223 0.002 0.000 2.407 506 L HA 0.140 4.480 4.340 -0.000 0.000 0.282 506 L C 0.796 177.667 176.870 0.003 0.000 1.110 506 L CA -0.465 54.380 54.840 0.008 0.000 0.863 506 L CB -0.341 41.717 42.059 -0.002 0.000 1.207 506 L HN -0.024 nan 8.230 nan 0.000 0.454 507 N N 2.345 121.049 118.700 0.007 0.000 2.483 507 N HA -0.042 4.698 4.740 -0.000 0.000 0.264 507 N C 0.344 175.857 175.510 0.006 0.000 1.197 507 N CA -0.003 53.049 53.050 0.003 0.000 0.927 507 N CB 1.029 39.518 38.487 0.004 0.000 1.065 507 N HN 0.524 nan 8.380 nan 0.000 0.461 508 T N 1.194 115.750 114.554 0.003 0.000 3.419 508 T HA 0.089 4.439 4.350 -0.000 0.000 0.228 508 T C 0.995 175.699 174.700 0.007 0.000 0.939 508 T CA -0.647 61.457 62.100 0.006 0.000 0.992 508 T CB -0.239 68.632 68.868 0.005 0.000 1.186 508 T HN 0.560 nan 8.240 nan 0.000 0.612 509 E N 1.404 121.609 120.200 0.008 0.000 2.884 509 E HA -0.351 3.998 4.350 -0.000 0.000 0.222 509 E C 1.163 177.766 176.600 0.005 0.000 0.949 509 E CA 2.510 58.914 56.400 0.007 0.000 1.651 509 E CB -1.563 28.143 29.700 0.010 0.000 1.584 509 E HN 0.715 nan 8.360 nan 0.000 0.443 510 G N 0.840 109.644 108.800 0.007 0.000 3.481 510 G HA2 0.434 4.394 3.960 -0.000 0.000 0.180 510 G HA3 0.434 4.394 3.960 -0.000 0.000 0.180 510 G C -0.264 174.640 174.900 0.007 0.000 1.345 510 G CA 0.105 45.209 45.100 0.006 0.000 1.104 510 G HN 0.292 nan 8.290 nan 0.000 0.749 511 V N 1.279 121.198 119.914 0.007 0.000 3.463 511 V HA 0.580 4.700 4.120 -0.000 0.000 0.302 511 V C 1.153 177.253 176.094 0.010 0.000 1.097 511 V CA 0.263 62.568 62.300 0.008 0.000 1.003 511 V CB 1.754 33.581 31.823 0.006 0.000 1.229 511 V HN 0.740 nan 8.190 nan 0.000 0.444 512 M N 0.219 119.825 119.600 0.010 0.000 2.741 512 M HA 0.516 4.996 4.480 -0.000 0.000 0.211 512 M C 0.353 176.654 176.300 0.003 0.000 1.811 512 M CA 0.576 55.883 55.300 0.012 0.000 1.185 512 M CB -0.705 31.908 32.600 0.021 0.000 1.320 512 M HN 0.305 nan 8.290 nan 0.000 0.583 513 K N 0.172 120.570 120.400 -0.003 0.000 2.401 513 K HA 0.673 4.993 4.320 -0.000 0.000 0.255 513 K C 0.522 177.111 176.600 -0.017 0.000 1.062 513 K CA 0.263 56.540 56.287 -0.017 0.000 0.999 513 K CB 1.124 33.606 32.500 -0.030 0.000 1.415 513 K HN 0.329 nan 8.250 nan 0.000 0.576 514 S N -0.940 114.743 115.700 -0.029 0.000 2.067 514 S HA -0.021 4.448 4.470 -0.000 0.000 0.249 514 S C -0.180 174.396 174.600 -0.040 0.000 0.916 514 S CA 0.860 59.045 58.200 -0.025 0.000 1.458 514 S CB -0.096 63.093 63.200 -0.019 0.000 1.037 514 S HN 0.656 nan 8.310 nan 0.000 0.483 515 R N 1.688 122.149 120.500 -0.065 0.000 4.000 515 R HA -0.185 4.155 4.340 -0.000 0.000 0.362 515 R C 0.243 176.456 176.300 -0.146 0.000 1.183 515 R CA 1.601 57.644 56.100 -0.095 0.000 1.011 515 R CB -3.424 26.834 30.300 -0.070 0.000 1.501 515 R HN 1.446 nan 8.270 nan 0.000 0.553 516 S N -1.211 114.406 115.700 -0.139 0.000 3.521 516 S HA -0.297 4.173 4.470 -0.000 0.000 0.362 516 S C 0.376 174.971 174.600 -0.009 0.000 1.044 516 S CA 1.600 59.711 58.200 -0.150 0.000 1.091 516 S CB -2.239 60.576 63.200 -0.641 0.000 0.908 516 S HN 0.854 nan 8.310 nan 0.000 0.473 517 N N -1.213 117.488 118.700 0.001 0.000 2.708 517 N HA -0.188 4.552 4.740 -0.000 0.000 0.251 517 N C -0.395 175.129 175.510 0.024 0.000 1.017 517 N CA 0.733 53.798 53.050 0.024 0.000 0.742 517 N CB -0.870 37.650 38.487 0.056 0.000 0.943 517 N HN 0.638 nan 8.380 nan 0.000 0.539 518 V N 0.457 120.363 119.914 -0.013 0.000 2.383 518 V HA 0.267 4.387 4.120 -0.000 0.000 0.275 518 V C 0.338 176.417 176.094 -0.025 0.000 1.036 518 V CA -0.416 61.889 62.300 0.008 0.000 0.889 518 V CB 1.597 33.420 31.823 -0.001 0.000 0.985 518 V HN 0.166 nan 8.190 nan 0.000 0.459 519 D N 4.636 125.007 120.400 -0.049 0.000 2.228 519 D HA 0.767 5.407 4.640 -0.000 0.000 0.247 519 D C -0.542 175.683 176.300 -0.126 0.000 0.995 519 D CA -0.474 53.473 54.000 -0.088 0.000 0.903 519 D CB 2.021 42.757 40.800 -0.107 0.000 1.205 519 D HN 0.587 nan 8.370 nan 0.000 0.459 520 M N 1.093 120.572 119.600 -0.201 0.000 2.294 520 M HA 0.442 4.922 4.480 -0.000 0.000 0.280 520 M C -1.860 174.283 176.300 -0.261 0.000 1.085 520 M CA -0.596 54.460 55.300 -0.406 0.000 0.969 520 M CB 2.417 34.595 32.600 -0.702 0.000 1.770 520 M HN -0.001 nan 8.290 nan 0.000 0.485 521 D N 2.504 122.777 120.400 -0.212 0.000 2.855 521 D HA 0.796 5.436 4.640 -0.000 0.000 0.231 521 D C -1.584 174.761 176.300 0.076 0.000 1.225 521 D CA 0.195 54.146 54.000 -0.082 0.000 1.074 521 D CB 1.733 42.482 40.800 -0.086 0.000 1.235 521 D HN 0.901 nan 8.370 nan 0.000 0.635 522 F N -0.368 119.501 119.950 -0.136 0.000 2.638 522 F HA 0.269 4.796 4.527 -0.000 0.000 0.292 522 F C -2.042 173.721 175.800 -0.060 0.000 0.907 522 F CA -0.900 57.029 58.000 -0.118 0.000 1.072 522 F CB -0.472 38.429 39.000 -0.165 0.000 1.369 522 F HN 0.013 nan 8.300 nan 0.000 0.675 523 E N 3.471 123.699 120.200 0.046 0.000 2.242 523 E HA 0.733 5.083 4.350 -0.000 0.000 0.275 523 E C -1.137 175.524 176.600 0.101 0.000 1.002 523 E CA -1.275 55.114 56.400 -0.019 0.000 0.841 523 E CB 2.567 32.270 29.700 0.004 0.000 1.109 523 E HN 0.513 nan 8.360 nan 0.000 0.394 524 V N 2.363 122.323 119.914 0.077 0.000 2.350 524 V HA 0.121 4.241 4.120 -0.000 0.000 0.285 524 V C -0.042 176.119 176.094 0.111 0.000 1.014 524 V CA -0.881 61.507 62.300 0.147 0.000 0.831 524 V CB 1.314 33.263 31.823 0.209 0.000 1.000 524 V HN 0.677 nan 8.190 nan 0.000 0.433 525 E N 5.914 126.206 120.200 0.153 0.000 2.383 525 E HA -0.013 4.337 4.350 -0.000 0.000 0.257 525 E C 0.261 176.884 176.600 0.038 0.000 1.079 525 E CA -0.174 56.294 56.400 0.113 0.000 0.934 525 E CB 0.301 30.095 29.700 0.157 0.000 0.978 525 E HN 0.823 nan 8.360 nan 0.000 0.462 526 N N 3.469 122.151 118.700 -0.030 0.000 2.412 526 N HA 0.064 4.804 4.740 -0.000 0.000 0.279 526 N C -0.117 175.322 175.510 -0.118 0.000 1.287 526 N CA -0.156 52.824 53.050 -0.115 0.000 0.948 526 N CB 0.659 39.095 38.487 -0.086 0.000 1.255 526 N HN 0.282 nan 8.380 nan 0.000 0.485 527 A N 3.027 125.699 122.820 -0.247 0.000 2.450 527 A HA 0.641 4.961 4.320 -0.000 0.000 0.281 527 A C 0.169 177.703 177.584 -0.083 0.000 1.372 527 A CA -0.580 51.391 52.037 -0.111 0.000 0.886 527 A CB 0.691 19.675 19.000 -0.027 0.000 1.462 527 A HN 0.447 nan 8.150 nan 0.000 0.514 528 V N -0.443 119.482 119.914 0.018 0.000 3.046 528 V HA 0.313 4.433 4.120 -0.000 0.000 0.316 528 V C 0.041 176.194 176.094 0.099 0.000 1.104 528 V CA -0.756 61.564 62.300 0.035 0.000 1.006 528 V CB 1.777 33.630 31.823 0.049 0.000 1.058 528 V HN 0.744 nan 8.190 nan 0.000 0.440 529 L N 2.593 123.869 121.223 0.088 0.000 2.584 529 L HA 0.244 4.584 4.340 -0.000 0.000 0.272 529 L C 1.422 178.398 176.870 0.177 0.000 1.195 529 L CA 1.698 56.624 54.840 0.144 0.000 0.920 529 L CB -0.019 42.099 42.059 0.098 0.000 1.173 529 L HN 1.103 nan 8.230 nan 0.000 0.489 530 G N 3.086 112.048 108.800 0.270 0.000 2.253 530 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.251 530 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.251 530 G C 0.517 175.502 174.900 0.142 0.000 0.998 530 G CA -0.021 45.159 45.100 0.134 0.000 0.621 530 G HN 0.544 nan 8.290 nan 0.000 0.524 531 K N 1.113 121.653 120.400 0.234 0.000 2.107 531 K HA 0.420 4.740 4.320 -0.000 0.000 0.251 531 K C -0.236 176.582 176.600 0.363 0.000 1.012 531 K CA -0.353 56.070 56.287 0.227 0.000 0.920 531 K CB 0.531 33.151 32.500 0.200 0.000 1.033 531 K HN 0.261 nan 8.250 nan 0.000 0.478 532 D N 0.802 121.358 120.400 0.261 0.000 2.388 532 D HA 0.471 5.111 4.640 -0.000 0.000 0.254 532 D C -0.287 176.221 176.300 0.346 0.000 1.111 532 D CA -0.078 54.050 54.000 0.214 0.000 0.993 532 D CB 0.881 41.715 40.800 0.056 0.000 1.118 532 D HN 0.298 nan 8.370 nan 0.000 0.502 533 F N -2.353 117.689 119.950 0.153 0.000 2.719 533 F HA 0.476 5.003 4.527 -0.000 0.000 0.309 533 F C -1.019 174.837 175.800 0.093 0.000 1.138 533 F CA -1.267 56.800 58.000 0.112 0.000 0.943 533 F CB 1.062 40.133 39.000 0.118 0.000 1.304 533 F HN -0.090 nan 8.300 nan 0.000 0.445 534 K N 1.701 122.200 120.400 0.165 0.000 2.123 534 K HA 0.678 4.998 4.320 -0.000 0.000 0.259 534 K C -1.440 175.235 176.600 0.125 0.000 0.960 534 K CA -0.874 55.448 56.287 0.059 0.000 0.872 534 K CB 2.339 34.879 32.500 0.066 0.000 1.079 534 K HN 0.789 nan 8.250 nan 0.000 0.440 535 L N 2.352 123.591 121.223 0.028 0.000 2.366 535 L HA 0.254 4.594 4.340 -0.000 0.000 0.266 535 L C -1.029 175.861 176.870 0.034 0.000 1.010 535 L CA -0.363 54.486 54.840 0.015 0.000 0.879 535 L CB 1.206 43.154 42.059 -0.185 0.000 1.228 535 L HN 0.635 nan 8.230 nan 0.000 0.439 536 S N 5.562 121.316 115.700 0.089 0.000 2.474 536 S HA 0.471 4.941 4.470 -0.000 0.000 0.276 536 S C 0.013 174.670 174.600 0.095 0.000 1.227 536 S CA -0.406 57.845 58.200 0.085 0.000 1.050 536 S CB 0.790 64.041 63.200 0.085 0.000 0.939 536 S HN 0.422 nan 8.310 nan 0.000 0.490 537 I N 3.329 123.919 120.570 0.033 0.000 2.428 537 I HA 0.380 4.550 4.170 -0.000 0.000 0.296 537 I C 0.239 176.360 176.117 0.006 0.000 0.985 537 I CA -0.429 60.846 61.300 -0.041 0.000 1.260 537 I CB 1.620 39.488 38.000 -0.219 0.000 1.389 537 I HN 0.598 nan 8.210 nan 0.000 0.484 538 T N 2.124 116.615 114.554 -0.105 0.000 2.881 538 T HA 0.591 4.941 4.350 -0.000 0.000 0.291 538 T C -0.829 173.767 174.700 -0.173 0.000 0.990 538 T CA -0.628 61.459 62.100 -0.022 0.000 0.976 538 T CB 0.848 69.724 68.868 0.014 0.000 0.970 538 T HN 0.130 nan 8.240 nan 0.000 0.438 539 F N 2.065 122.002 119.950 -0.021 0.000 2.444 539 F HA 0.572 5.098 4.527 -0.000 0.000 0.342 539 F C 0.830 176.570 175.800 -0.100 0.000 1.121 539 F CA -1.199 56.767 58.000 -0.055 0.000 0.997 539 F CB 1.880 40.855 39.000 -0.043 0.000 1.130 539 F HN 0.441 nan 8.300 nan 0.000 0.454 540 R N 1.782 122.245 120.500 -0.063 0.000 2.335 540 R HA 0.252 4.592 4.340 -0.000 0.000 0.302 540 R C -0.714 175.314 176.300 -0.453 0.000 1.147 540 R CA -0.750 55.072 56.100 -0.463 0.000 1.111 540 R CB 0.590 30.611 30.300 -0.465 0.000 1.122 540 R HN 0.376 nan 8.270 nan 0.000 0.557 541 N N 2.348 120.826 118.700 -0.370 0.000 2.416 541 N HA 0.025 4.764 4.740 -0.000 0.000 0.265 541 N C -0.173 175.211 175.510 -0.209 0.000 1.195 541 N CA 0.177 53.150 53.050 -0.129 0.000 0.943 541 N CB 0.638 39.148 38.487 0.039 0.000 1.115 541 N HN 0.524 nan 8.380 nan 0.000 0.481 542 N N 0.714 119.357 118.700 -0.096 0.000 2.325 542 N HA -0.042 4.698 4.740 -0.000 0.000 0.182 542 N C 0.235 175.822 175.510 0.128 0.000 1.088 542 N CA 0.065 53.107 53.050 -0.014 0.000 0.879 542 N CB 0.323 38.800 38.487 -0.016 0.000 0.983 542 N HN 0.604 nan 8.380 nan 0.000 0.471 543 S N -0.426 115.366 115.700 0.154 0.000 2.713 543 S HA 0.223 4.693 4.470 -0.000 0.000 0.277 543 S C 0.374 175.117 174.600 0.238 0.000 1.168 543 S CA -0.503 57.835 58.200 0.230 0.000 0.994 543 S CB 0.627 63.952 63.200 0.208 0.000 1.054 543 S HN 0.208 nan 8.310 nan 0.000 0.555 544 H N 0.724 119.797 119.070 0.005 0.000 2.640 544 H HA 0.371 4.927 4.556 -0.000 0.000 0.312 544 H C -0.644 174.635 175.328 -0.081 0.000 1.110 544 H CA -0.398 55.641 56.048 -0.016 0.000 1.098 544 H CB -0.323 29.438 29.762 -0.003 0.000 1.485 544 H HN 0.492 nan 8.280 nan 0.000 0.526 545 N N 0.728 119.386 118.700 -0.071 0.000 2.469 545 N HA 0.292 5.031 4.740 -0.000 0.000 0.286 545 N C -0.612 174.666 175.510 -0.387 0.000 1.275 545 N CA -0.848 52.027 53.050 -0.291 0.000 0.790 545 N CB 2.063 40.217 38.487 -0.555 0.000 1.446 545 N HN 0.169 nan 8.380 nan 0.000 0.501 546 R N 0.842 121.087 120.500 -0.424 0.000 2.445 546 R HA 0.491 4.831 4.340 -0.000 0.000 0.308 546 R C -1.514 174.574 176.300 -0.354 0.000 0.961 546 R CA -0.331 55.604 56.100 -0.275 0.000 0.862 546 R CB 0.429 30.647 30.300 -0.136 0.000 1.144 546 R HN 0.534 nan 8.270 nan 0.000 0.447 547 Y N 0.640 120.933 120.300 -0.011 0.000 2.545 547 Y HA 0.380 4.930 4.550 -0.000 0.000 0.348 547 Y C -0.195 175.679 175.900 -0.043 0.000 1.002 547 Y CA -0.783 57.306 58.100 -0.017 0.000 1.039 547 Y CB 2.823 41.279 38.460 -0.008 0.000 1.271 547 Y HN 0.472 nan 8.280 nan 0.000 0.467 548 T N 4.267 118.912 114.554 0.152 0.000 2.779 548 T HA 0.710 5.060 4.350 -0.000 0.000 0.280 548 T C -0.580 174.122 174.700 0.003 0.000 0.987 548 T CA -0.459 61.661 62.100 0.034 0.000 0.966 548 T CB 0.247 69.128 68.868 0.021 0.000 0.933 548 T HN 0.341 nan 8.240 nan 0.000 0.442 549 I N 2.116 122.645 120.570 -0.068 0.000 2.569 549 I HA 0.422 4.592 4.170 -0.000 0.000 0.296 549 I C -0.035 176.024 176.117 -0.096 0.000 1.028 549 I CA -0.900 60.357 61.300 -0.073 0.000 1.082 549 I CB 2.373 40.308 38.000 -0.109 0.000 1.264 549 I HN 0.442 nan 8.210 nan 0.000 0.429 550 T N 4.660 119.171 114.554 -0.071 0.000 3.053 550 T HA 0.552 4.902 4.350 -0.000 0.000 0.363 550 T C -0.027 174.529 174.700 -0.239 0.000 1.239 550 T CA -0.467 61.528 62.100 -0.174 0.000 1.071 550 T CB 0.849 69.621 68.868 -0.160 0.000 1.089 550 T HN 0.668 nan 8.240 nan 0.000 0.527 551 A N 3.342 126.058 122.820 -0.172 0.000 2.327 551 A HA 0.778 5.098 4.320 -0.000 0.000 0.283 551 A C -1.051 176.397 177.584 -0.227 0.000 1.127 551 A CA -0.458 51.528 52.037 -0.085 0.000 0.810 551 A CB 0.417 19.443 19.000 0.043 0.000 1.066 551 A HN 0.733 nan 8.150 nan 0.000 0.492 552 Y N 0.852 121.158 120.300 0.010 0.000 2.509 552 Y HA 0.605 5.154 4.550 -0.000 0.000 0.341 552 Y C -0.111 175.786 175.900 -0.005 0.000 1.038 552 Y CA -1.042 57.089 58.100 0.052 0.000 1.089 552 Y CB 1.905 40.386 38.460 0.035 0.000 1.241 552 Y HN 0.516 nan 8.280 nan 0.000 0.468 553 L N 2.355 123.709 121.223 0.219 0.000 2.381 553 L HA 0.649 4.989 4.340 -0.000 0.000 0.274 553 L C -1.250 175.698 176.870 0.129 0.000 0.988 553 L CA -0.253 54.648 54.840 0.103 0.000 0.824 553 L CB 1.503 43.637 42.059 0.124 0.000 1.263 553 L HN 0.675 nan 8.230 nan 0.000 0.410 554 S N 4.146 119.933 115.700 0.145 0.000 2.707 554 S HA 0.844 5.313 4.470 -0.000 0.000 0.303 554 S C -0.426 174.287 174.600 0.188 0.000 1.132 554 S CA -0.516 57.784 58.200 0.166 0.000 1.046 554 S CB 1.683 65.025 63.200 0.237 0.000 1.004 554 S HN 0.838 nan 8.310 nan 0.000 0.483 555 A N 3.950 126.782 122.820 0.021 0.000 2.318 555 A HA 0.740 5.060 4.320 -0.000 0.000 0.317 555 A C -0.379 177.183 177.584 -0.037 0.000 1.159 555 A CA -0.829 51.185 52.037 -0.039 0.000 0.799 555 A CB 0.681 19.438 19.000 -0.405 0.000 1.194 555 A HN 0.764 nan 8.150 nan 0.000 0.479 556 N N 1.726 120.532 118.700 0.176 0.000 2.335 556 N HA 0.437 5.177 4.740 -0.000 0.000 0.304 556 N C -1.116 174.577 175.510 0.305 0.000 1.135 556 N CA -0.623 52.605 53.050 0.298 0.000 0.817 556 N CB 1.770 40.415 38.487 0.263 0.000 1.294 556 N HN 0.443 nan 8.380 nan 0.000 0.497 557 I N 1.848 122.566 120.570 0.247 0.000 2.325 557 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 557 I C 0.770 176.892 176.117 0.008 0.000 1.019 557 I CA -0.044 61.301 61.300 0.075 0.000 1.302 557 I CB 0.594 38.604 38.000 0.016 0.000 1.401 557 I HN 0.562 nan 8.210 nan 0.000 0.485 558 T N 2.993 117.525 114.554 -0.038 0.000 2.906 558 T HA 0.647 4.997 4.350 -0.000 0.000 0.295 558 T C -0.338 174.318 174.700 -0.073 0.000 1.075 558 T CA -0.637 61.450 62.100 -0.020 0.000 1.005 558 T CB 1.582 70.466 68.868 0.027 0.000 1.136 558 T HN 0.076 nan 8.240 nan 0.000 0.498 559 F N 1.163 121.092 119.950 -0.035 0.000 2.378 559 F HA 0.306 4.832 4.527 -0.000 0.000 0.319 559 F C 1.824 177.600 175.800 -0.041 0.000 1.155 559 F CA -0.866 57.126 58.000 -0.015 0.000 1.157 559 F CB 0.308 39.264 39.000 -0.072 0.000 1.252 559 F HN 0.855 nan 8.300 nan 0.000 0.550 560 Y N -0.923 119.450 120.300 0.121 0.000 2.384 560 Y HA -0.163 4.387 4.550 -0.000 0.000 0.289 560 Y C 1.946 177.726 175.900 -0.200 0.000 1.152 560 Y CA 1.215 59.329 58.100 0.024 0.000 1.258 560 Y CB -1.793 36.718 38.460 0.085 0.000 0.979 560 Y HN 0.553 nan 8.280 nan 0.000 0.549 561 T N -3.436 110.530 114.554 -0.980 0.000 3.072 561 T HA 0.272 4.622 4.350 -0.000 0.000 0.266 561 T C 1.757 176.027 174.700 -0.716 0.000 1.127 561 T CA 0.669 61.806 62.100 -1.606 0.000 1.107 561 T CB -0.625 67.251 68.868 -1.652 0.000 0.910 561 T HN 0.979 nan 8.240 nan 0.000 0.513 562 G N 0.417 109.043 108.800 -0.291 0.000 2.157 562 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.239 562 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.239 562 G C 0.029 174.886 174.900 -0.073 0.000 0.982 562 G CA -0.161 44.857 45.100 -0.137 0.000 0.650 562 G HN 0.659 nan 8.290 nan 0.000 0.527 563 V N 2.619 122.515 119.914 -0.030 0.000 2.439 563 V HA 0.369 4.489 4.120 -0.000 0.000 0.271 563 V C -1.499 174.762 176.094 0.278 0.000 1.040 563 V CA -1.009 61.333 62.300 0.070 0.000 1.002 563 V CB 1.215 32.970 31.823 -0.114 0.000 1.000 563 V HN 0.162 nan 8.190 nan 0.000 0.477 564 P HA 0.230 nan 4.420 nan 0.000 0.279 564 P C 0.351 177.762 177.300 0.186 0.000 1.239 564 P CA -0.447 62.752 63.100 0.165 0.000 0.789 564 P CB 0.953 32.748 31.700 0.158 0.000 0.933 565 K N 1.606 122.070 120.400 0.106 0.000 2.308 565 K HA 0.351 4.671 4.320 -0.000 0.000 0.197 565 K C 0.040 176.693 176.600 0.090 0.000 1.049 565 K CA 0.385 56.720 56.287 0.080 0.000 0.991 565 K CB 0.394 32.844 32.500 -0.084 0.000 0.836 565 K HN 0.593 nan 8.250 nan 0.000 0.500 566 A N 0.729 123.616 122.820 0.112 0.000 2.574 566 A HA 0.191 4.510 4.320 -0.000 0.000 0.298 566 A C -1.652 176.046 177.584 0.191 0.000 0.987 566 A CA -0.734 51.383 52.037 0.133 0.000 0.678 566 A CB 0.467 19.537 19.000 0.117 0.000 1.296 566 A HN 0.123 nan 8.150 nan 0.000 0.420 567 E N 0.693 121.002 120.200 0.182 0.000 2.229 567 E HA 0.541 4.891 4.350 -0.000 0.000 0.283 567 E C 0.223 176.965 176.600 0.237 0.000 1.030 567 E CA -0.349 56.168 56.400 0.195 0.000 0.836 567 E CB 0.358 30.137 29.700 0.133 0.000 1.068 567 E HN 0.821 nan 8.360 nan 0.000 0.401 568 F N 3.759 123.795 119.950 0.143 0.000 2.717 568 F HA 0.401 4.927 4.527 -0.000 0.000 0.295 568 F C 0.047 175.931 175.800 0.140 0.000 1.117 568 F CA -0.568 57.517 58.000 0.141 0.000 1.361 568 F CB 0.521 39.623 39.000 0.171 0.000 1.112 568 F HN 0.211 nan 8.300 nan 0.000 0.594 569 K N 1.557 121.765 120.400 -0.320 0.000 2.589 569 K HA 0.275 4.595 4.320 -0.000 0.000 0.253 569 K C -1.645 174.878 176.600 -0.129 0.000 0.974 569 K CA -0.578 55.590 56.287 -0.199 0.000 0.835 569 K CB 1.546 33.871 32.500 -0.291 0.000 1.272 569 K HN 0.131 nan 8.250 nan 0.000 0.444 570 K N 3.946 124.333 120.400 -0.021 0.000 2.753 570 K HA 0.204 4.524 4.320 -0.000 0.000 0.185 570 K C -1.095 175.539 176.600 0.056 0.000 1.071 570 K CA -0.452 55.856 56.287 0.035 0.000 0.999 570 K CB 0.901 33.434 32.500 0.055 0.000 1.244 570 K HN 0.546 nan 8.250 nan 0.000 0.594 571 E N 0.455 120.694 120.200 0.066 0.000 2.322 571 E HA 0.309 4.659 4.350 -0.000 0.000 0.257 571 E C -0.628 176.059 176.600 0.144 0.000 1.155 571 E CA -0.119 56.304 56.400 0.039 0.000 0.936 571 E CB 1.640 31.310 29.700 -0.050 0.000 1.130 571 E HN 0.404 nan 8.360 nan 0.000 0.465 572 T N 0.266 114.835 114.554 0.024 0.000 2.993 572 T HA 0.637 4.986 4.350 -0.000 0.000 0.312 572 T C -1.855 172.845 174.700 0.000 0.000 1.115 572 T CA -0.691 61.468 62.100 0.099 0.000 1.027 572 T CB 0.150 69.015 68.868 -0.005 0.000 1.116 572 T HN 0.191 nan 8.240 nan 0.000 0.464 573 F N 2.479 122.304 119.950 -0.208 0.000 2.540 573 F HA 0.539 5.066 4.527 -0.000 0.000 0.317 573 F C 0.044 175.723 175.800 -0.202 0.000 1.104 573 F CA -1.459 56.444 58.000 -0.163 0.000 0.913 573 F CB 1.745 40.682 39.000 -0.105 0.000 1.170 573 F HN 0.451 nan 8.300 nan 0.000 0.450 574 D N 2.800 123.206 120.400 0.010 0.000 2.217 574 D HA 0.617 5.257 4.640 -0.000 0.000 0.243 574 D C -0.644 175.618 176.300 -0.064 0.000 1.054 574 D CA -0.147 53.819 54.000 -0.057 0.000 0.838 574 D CB 2.751 43.515 40.800 -0.060 0.000 1.162 574 D HN 0.203 nan 8.370 nan 0.000 0.472 575 V N 1.158 120.987 119.914 -0.143 0.000 3.114 575 V HA 0.520 4.640 4.120 -0.000 0.000 0.308 575 V C -0.273 175.698 176.094 -0.205 0.000 1.168 575 V CA -0.700 61.469 62.300 -0.217 0.000 1.015 575 V CB 2.562 34.104 31.823 -0.469 0.000 1.050 575 V HN 0.592 nan 8.190 nan 0.000 0.433 576 T N 3.399 117.856 114.554 -0.162 0.000 2.886 576 T HA 0.756 5.106 4.350 -0.000 0.000 0.292 576 T C -1.123 173.529 174.700 -0.081 0.000 1.012 576 T CA -0.380 61.663 62.100 -0.096 0.000 0.982 576 T CB 1.604 70.441 68.868 -0.052 0.000 1.018 576 T HN 0.295 nan 8.240 nan 0.000 0.451 577 L N 3.159 124.362 121.223 -0.034 0.000 2.342 577 L HA 0.482 4.822 4.340 -0.000 0.000 0.276 577 L C 0.128 177.004 176.870 0.011 0.000 0.997 577 L CA -0.552 54.293 54.840 0.007 0.000 0.838 577 L CB 1.336 43.423 42.059 0.047 0.000 1.224 577 L HN 0.583 nan 8.230 nan 0.000 0.416 578 E N 4.174 124.377 120.200 0.006 0.000 2.371 578 E HA 0.294 4.644 4.350 -0.000 0.000 0.257 578 E C -2.322 174.275 176.600 -0.005 0.000 1.134 578 E CA -1.681 54.708 56.400 -0.019 0.000 0.919 578 E CB 0.062 29.754 29.700 -0.013 0.000 1.025 578 E HN 0.272 nan 8.360 nan 0.000 0.438 579 P HA -0.100 nan 4.420 nan 0.000 0.257 579 P C -0.731 176.580 177.300 0.018 0.000 1.162 579 P CA 0.628 63.708 63.100 -0.033 0.000 0.762 579 P CB 0.124 31.786 31.700 -0.064 0.000 0.753 580 L N 1.577 122.855 121.223 0.093 0.000 3.865 580 L HA -0.220 4.120 4.340 -0.000 0.000 0.408 580 L C 0.554 177.688 176.870 0.441 0.000 1.209 580 L CA 1.053 56.075 54.840 0.302 0.000 0.940 580 L CB -2.790 39.375 42.059 0.177 0.000 1.971 580 L HN 0.351 nan 8.230 nan 0.000 0.899 581 S N 0.437 116.314 115.700 0.295 0.000 2.473 581 S HA 0.516 4.986 4.470 -0.000 0.000 0.312 581 S C 0.130 174.971 174.600 0.402 0.000 1.087 581 S CA -0.532 57.832 58.200 0.275 0.000 1.077 581 S CB -0.185 63.085 63.200 0.116 0.000 1.065 581 S HN 0.157 nan 8.310 nan 0.000 0.510 582 F N 4.169 124.142 119.950 0.039 0.000 2.439 582 F HA 0.398 4.925 4.527 -0.000 0.000 0.356 582 F C 0.665 176.507 175.800 0.069 0.000 1.161 582 F CA -0.972 57.067 58.000 0.066 0.000 1.151 582 F CB 0.234 39.265 39.000 0.052 0.000 1.222 582 F HN 0.412 nan 8.300 nan 0.000 0.558 583 K N 3.587 124.133 120.400 0.244 0.000 2.339 583 K HA 0.292 4.612 4.320 -0.000 0.000 0.264 583 K C -0.522 176.209 176.600 0.217 0.000 0.986 583 K CA -0.713 55.677 56.287 0.172 0.000 0.866 583 K CB 0.910 33.453 32.500 0.072 0.000 1.103 583 K HN 0.487 nan 8.250 nan 0.000 0.441 584 K N 4.044 124.548 120.400 0.174 0.000 2.264 584 K HA 0.126 4.446 4.320 -0.000 0.000 0.277 584 K C -0.696 175.997 176.600 0.156 0.000 1.067 584 K CA -0.434 55.955 56.287 0.170 0.000 0.900 584 K CB 0.770 33.347 32.500 0.127 0.000 1.124 584 K HN 0.544 nan 8.250 nan 0.000 0.469 585 E N 1.884 122.202 120.200 0.196 0.000 2.248 585 E HA 0.470 4.820 4.350 -0.000 0.000 0.272 585 E C -1.053 175.657 176.600 0.184 0.000 1.008 585 E CA -0.539 55.988 56.400 0.211 0.000 0.856 585 E CB 1.950 31.826 29.700 0.293 0.000 1.120 585 E HN 0.690 nan 8.360 nan 0.000 0.397 586 A N 1.891 124.829 122.820 0.198 0.000 2.427 586 A HA 0.565 4.885 4.320 -0.000 0.000 0.298 586 A C -0.736 176.933 177.584 0.141 0.000 1.036 586 A CA -0.628 51.493 52.037 0.141 0.000 0.701 586 A CB 1.045 20.098 19.000 0.089 0.000 1.250 586 A HN 0.273 nan 8.150 nan 0.000 0.412 587 V N 2.180 122.159 119.914 0.109 0.000 3.096 587 V HA 0.706 4.826 4.120 -0.000 0.000 0.319 587 V C -0.458 175.625 176.094 -0.017 0.000 1.103 587 V CA -0.852 61.483 62.300 0.059 0.000 1.016 587 V CB 1.931 33.800 31.823 0.077 0.000 1.090 587 V HN 0.865 nan 8.190 nan 0.000 0.449 588 L N 3.040 124.227 121.223 -0.060 0.000 2.441 588 L HA 0.508 4.847 4.340 -0.000 0.000 0.270 588 L C -1.272 175.498 176.870 -0.167 0.000 0.973 588 L CA -0.312 54.465 54.840 -0.106 0.000 0.842 588 L CB 1.584 43.608 42.059 -0.058 0.000 1.239 588 L HN 0.463 nan 8.230 nan 0.000 0.406 589 I N 3.831 124.175 120.570 -0.376 0.000 2.416 589 I HA 0.251 4.421 4.170 -0.000 0.000 0.288 589 I C 0.452 176.423 176.117 -0.243 0.000 1.051 589 I CA -0.031 61.049 61.300 -0.367 0.000 1.375 589 I CB 1.089 38.574 38.000 -0.858 0.000 1.407 589 I HN 0.713 nan 8.210 nan 0.000 0.516 590 Q N 4.023 123.804 119.800 -0.032 0.000 2.296 590 Q HA 0.460 4.800 4.340 -0.000 0.000 0.257 590 Q C 0.973 176.891 176.000 -0.137 0.000 0.942 590 Q CA -0.221 55.554 55.803 -0.046 0.000 0.939 590 Q CB 1.720 30.443 28.738 -0.025 0.000 1.198 590 Q HN 0.792 nan 8.270 nan 0.000 0.429 591 A N 3.549 126.248 122.820 -0.202 0.000 1.869 591 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 591 A C 1.724 178.947 177.584 -0.602 0.000 1.203 591 A CA 2.030 53.745 52.037 -0.538 0.000 0.638 591 A CB -1.418 17.447 19.000 -0.225 0.000 0.831 591 A HN 0.960 nan 8.150 nan 0.000 0.450 592 G N -1.209 107.420 108.800 -0.285 0.000 2.615 592 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.213 592 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.213 592 G C 1.232 176.028 174.900 -0.174 0.000 1.135 592 G CA 1.212 46.190 45.100 -0.205 0.000 0.772 592 G HN 0.712 nan 8.290 nan 0.000 0.542 593 E N -0.475 119.610 120.200 -0.193 0.000 2.127 593 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 593 E C 1.981 178.545 176.600 -0.059 0.000 0.964 593 E CA 0.647 57.032 56.400 -0.024 0.000 0.832 593 E CB -0.106 29.690 29.700 0.159 0.000 0.790 593 E HN 0.592 nan 8.360 nan 0.000 0.465 594 Y N -1.473 118.722 120.300 -0.175 0.000 2.353 594 Y HA 0.224 4.774 4.550 -0.000 0.000 0.294 594 Y C 1.897 177.689 175.900 -0.180 0.000 1.135 594 Y CA 0.107 57.972 58.100 -0.390 0.000 1.176 594 Y CB -0.711 37.348 38.460 -0.668 0.000 1.124 594 Y HN -0.140 nan 8.280 nan 0.000 0.537 595 M N 1.528 120.944 119.600 -0.306 0.000 2.177 595 M HA -0.276 4.204 4.480 -0.000 0.000 0.248 595 M C 2.137 178.434 176.300 -0.005 0.000 1.091 595 M CA 1.941 57.193 55.300 -0.081 0.000 1.065 595 M CB -1.891 30.571 32.600 -0.231 0.000 1.345 595 M HN 0.668 nan 8.290 nan 0.000 0.397 596 G N -1.016 107.763 108.800 -0.035 0.000 2.394 596 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 596 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 596 G C 1.277 176.177 174.900 0.000 0.000 1.165 596 G CA 0.482 45.574 45.100 -0.013 0.000 0.784 596 G HN 0.597 nan 8.290 nan 0.000 0.535 597 Q N -0.280 119.521 119.800 0.002 0.000 2.219 597 Q HA 0.401 4.741 4.340 -0.000 0.000 0.209 597 Q C 0.440 176.416 176.000 -0.040 0.000 0.854 597 Q CA -0.411 55.386 55.803 -0.011 0.000 0.960 597 Q CB 0.664 29.405 28.738 0.005 0.000 1.116 597 Q HN 0.280 nan 8.270 nan 0.000 0.500 598 L N 1.683 122.895 121.223 -0.018 0.000 2.559 598 L HA -0.031 4.308 4.340 -0.000 0.000 0.282 598 L C 0.031 176.851 176.870 -0.083 0.000 1.232 598 L CA 0.493 55.306 54.840 -0.044 0.000 0.885 598 L CB 0.202 42.270 42.059 0.014 0.000 1.131 598 L HN 0.235 nan 8.230 nan 0.000 0.498 599 L N 2.461 123.599 121.223 -0.142 0.000 2.416 599 L HA 0.181 4.521 4.340 -0.000 0.000 0.263 599 L C 1.534 178.357 176.870 -0.079 0.000 1.065 599 L CA -0.686 54.050 54.840 -0.173 0.000 0.798 599 L CB 0.952 42.769 42.059 -0.404 0.000 1.267 599 L HN 0.653 nan 8.230 nan 0.000 0.467 600 E N -0.248 119.943 120.200 -0.015 0.000 2.136 600 E HA -0.347 4.003 4.350 -0.000 0.000 0.208 600 E C 1.293 177.853 176.600 -0.066 0.000 1.035 600 E CA 1.812 58.230 56.400 0.029 0.000 0.838 600 E CB -0.244 29.546 29.700 0.150 0.000 0.748 600 E HN 0.609 nan 8.360 nan 0.000 0.459 601 Q N -0.110 119.627 119.800 -0.105 0.000 2.403 601 Q HA 0.269 4.609 4.340 -0.000 0.000 0.203 601 Q C 0.167 176.119 176.000 -0.079 0.000 0.932 601 Q CA 0.334 56.019 55.803 -0.197 0.000 0.945 601 Q CB 0.534 29.143 28.738 -0.215 0.000 1.045 601 Q HN 0.456 nan 8.270 nan 0.000 0.511 602 A N 1.329 124.107 122.820 -0.069 0.000 2.739 602 A HA -0.171 4.149 4.320 -0.000 0.000 0.296 602 A C 0.227 177.752 177.584 -0.098 0.000 1.488 602 A CA 0.628 52.615 52.037 -0.084 0.000 0.746 602 A CB -2.133 16.827 19.000 -0.068 0.000 1.047 602 A HN 0.391 nan 8.150 nan 0.000 0.477 603 S N -0.174 115.484 115.700 -0.070 0.000 2.501 603 S HA 0.895 5.365 4.470 -0.000 0.000 0.301 603 S C -0.435 174.116 174.600 -0.082 0.000 1.096 603 S CA -1.067 57.102 58.200 -0.051 0.000 1.063 603 S CB 2.079 65.303 63.200 0.040 0.000 1.042 603 S HN 0.822 nan 8.310 nan 0.000 0.494 604 L N 2.778 123.928 121.223 -0.121 0.000 2.333 604 L HA 0.594 4.934 4.340 -0.000 0.000 0.269 604 L C 0.047 176.691 176.870 -0.377 0.000 1.010 604 L CA -0.438 54.288 54.840 -0.189 0.000 0.818 604 L CB 1.415 43.393 42.059 -0.135 0.000 1.306 604 L HN 0.964 nan 8.230 nan 0.000 0.430 605 H N 1.431 120.162 119.070 -0.566 0.000 2.637 605 H HA 0.577 5.133 4.556 -0.000 0.000 0.363 605 H C -1.734 173.138 175.328 -0.760 0.000 1.131 605 H CA -0.414 55.292 56.048 -0.569 0.000 1.183 605 H CB 1.960 31.556 29.762 -0.277 0.000 1.637 605 H HN 0.315 nan 8.280 nan 0.000 0.531 606 F N 3.304 122.917 119.950 -0.563 0.000 2.551 606 F HA 0.394 4.921 4.527 -0.000 0.000 0.316 606 F C -0.885 174.575 175.800 -0.567 0.000 1.089 606 F CA -0.826 56.966 58.000 -0.347 0.000 0.915 606 F CB 1.320 40.290 39.000 -0.050 0.000 1.186 606 F HN 0.323 nan 8.300 nan 0.000 0.456 607 F N 1.945 121.907 119.950 0.019 0.000 2.460 607 F HA 0.569 5.096 4.527 -0.000 0.000 0.341 607 F C -0.477 175.294 175.800 -0.048 0.000 1.130 607 F CA -1.055 56.958 58.000 0.020 0.000 0.962 607 F CB 1.829 40.878 39.000 0.082 0.000 1.171 607 F HN 0.053 nan 8.300 nan 0.000 0.436 608 V N 3.764 123.725 119.914 0.078 0.000 2.257 608 V HA 0.336 4.456 4.120 -0.000 0.000 0.269 608 V C -0.026 176.053 176.094 -0.026 0.000 1.040 608 V CA -0.494 61.730 62.300 -0.127 0.000 0.813 608 V CB 1.012 32.530 31.823 -0.509 0.000 1.065 608 V HN 0.837 nan 8.190 nan 0.000 0.457 609 T N 1.845 116.421 114.554 0.036 0.000 2.936 609 T HA 0.964 5.313 4.350 -0.000 0.000 0.282 609 T C -0.165 174.594 174.700 0.099 0.000 1.003 609 T CA -0.386 61.722 62.100 0.012 0.000 1.005 609 T CB 2.537 71.400 68.868 -0.009 0.000 1.097 609 T HN 0.970 nan 8.240 nan 0.000 0.532 610 A N 0.488 123.362 122.820 0.089 0.000 2.601 610 A HA 0.796 5.116 4.320 -0.000 0.000 0.291 610 A C -1.162 176.489 177.584 0.111 0.000 1.075 610 A CA -1.099 51.022 52.037 0.141 0.000 0.671 610 A CB 1.450 20.516 19.000 0.110 0.000 1.277 610 A HN 0.944 nan 8.150 nan 0.000 0.417 611 R N 1.477 122.044 120.500 0.112 0.000 2.500 611 R HA 0.438 4.778 4.340 -0.000 0.000 0.299 611 R C -1.334 174.978 176.300 0.021 0.000 1.038 611 R CA -0.704 55.437 56.100 0.068 0.000 0.903 611 R CB 0.674 31.046 30.300 0.120 0.000 1.177 611 R HN 0.617 nan 8.270 nan 0.000 0.455 612 I N 5.230 125.782 120.570 -0.030 0.000 2.372 612 I HA -0.044 4.126 4.170 -0.000 0.000 0.298 612 I C 1.217 177.299 176.117 -0.057 0.000 1.137 612 I CA 0.166 61.411 61.300 -0.091 0.000 1.314 612 I CB 0.006 37.856 38.000 -0.249 0.000 1.444 612 I HN 0.668 nan 8.210 nan 0.000 0.541 613 N N 4.225 122.922 118.700 -0.005 0.000 2.247 613 N HA -0.226 4.514 4.740 -0.000 0.000 0.189 613 N C 1.272 176.801 175.510 0.031 0.000 1.009 613 N CA 1.467 54.529 53.050 0.020 0.000 0.872 613 N CB 0.363 38.869 38.487 0.031 0.000 0.980 613 N HN 0.556 nan 8.380 nan 0.000 0.436 614 E N -0.227 120.003 120.200 0.049 0.000 2.001 614 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 614 E C 2.261 178.884 176.600 0.038 0.000 0.994 614 E CA 1.902 58.360 56.400 0.096 0.000 0.815 614 E CB -0.725 29.142 29.700 0.278 0.000 0.770 614 E HN 0.506 nan 8.360 nan 0.000 0.453 615 T N -1.350 113.186 114.554 -0.030 0.000 3.043 615 T HA -0.024 4.326 4.350 -0.000 0.000 0.263 615 T C 0.779 175.459 174.700 -0.033 0.000 1.094 615 T CA 0.587 62.667 62.100 -0.034 0.000 1.127 615 T CB -0.218 68.601 68.868 -0.082 0.000 0.905 615 T HN 0.352 nan 8.240 nan 0.000 0.490 616 R N 0.427 120.901 120.500 -0.042 0.000 3.390 616 R HA -0.122 4.218 4.340 -0.000 0.000 0.280 616 R C -2.048 174.232 176.300 -0.034 0.000 1.126 616 R CA 0.669 56.755 56.100 -0.023 0.000 0.757 616 R CB -2.955 27.345 30.300 -0.000 0.000 1.296 616 R HN 0.345 nan 8.270 nan 0.000 0.431 617 D N 1.699 122.060 120.400 -0.066 0.000 2.347 617 D HA 0.294 4.934 4.640 -0.000 0.000 0.235 617 D C 0.435 176.701 176.300 -0.057 0.000 1.149 617 D CA -0.275 53.685 54.000 -0.068 0.000 0.850 617 D CB 1.645 42.382 40.800 -0.104 0.000 1.061 617 D HN 0.167 nan 8.370 nan 0.000 0.487 618 V N 4.027 123.914 119.914 -0.046 0.000 2.508 618 V HA 0.190 4.310 4.120 -0.000 0.000 0.281 618 V C 0.678 176.716 176.094 -0.094 0.000 1.041 618 V CA -0.402 61.867 62.300 -0.052 0.000 1.016 618 V CB 0.598 32.388 31.823 -0.055 0.000 0.984 618 V HN 0.298 nan 8.190 nan 0.000 0.478 619 L N 4.305 125.470 121.223 -0.096 0.000 2.334 619 L HA 0.942 5.281 4.340 -0.000 0.000 0.273 619 L C 0.065 176.813 176.870 -0.204 0.000 1.013 619 L CA -0.510 54.249 54.840 -0.136 0.000 0.816 619 L CB 1.837 43.839 42.059 -0.094 0.000 1.278 619 L HN 0.764 nan 8.230 nan 0.000 0.431 620 A N 2.757 125.398 122.820 -0.299 0.000 2.547 620 A HA 0.872 5.192 4.320 -0.000 0.000 0.297 620 A C -1.338 176.103 177.584 -0.238 0.000 1.056 620 A CA -0.667 51.137 52.037 -0.389 0.000 0.688 620 A CB 2.255 20.661 19.000 -0.990 0.000 1.282 620 A HN 0.528 nan 8.150 nan 0.000 0.400 621 K N 0.590 120.965 120.400 -0.041 0.000 2.568 621 K HA 0.539 4.858 4.320 -0.000 0.000 0.273 621 K C -1.418 175.323 176.600 0.235 0.000 0.951 621 K CA -0.302 56.041 56.287 0.092 0.000 0.854 621 K CB 2.261 34.849 32.500 0.145 0.000 1.424 621 K HN 1.056 nan 8.250 nan 0.000 0.427 622 Q N 0.606 120.486 119.800 0.133 0.000 2.482 622 Q HA 0.697 5.037 4.340 -0.000 0.000 0.286 622 Q C -1.198 174.821 176.000 0.031 0.000 1.007 622 Q CA -1.069 54.761 55.803 0.045 0.000 0.801 622 Q CB 2.982 31.622 28.738 -0.163 0.000 1.455 622 Q HN 0.418 nan 8.270 nan 0.000 0.398 623 K N 0.196 120.632 120.400 0.059 0.000 2.571 623 K HA 0.695 5.015 4.320 -0.000 0.000 0.289 623 K C -1.445 175.273 176.600 0.197 0.000 1.028 623 K CA -0.810 55.590 56.287 0.189 0.000 0.895 623 K CB 2.492 35.031 32.500 0.065 0.000 1.534 623 K HN 0.760 nan 8.250 nan 0.000 0.421 624 S N 0.122 116.002 115.700 0.299 0.000 2.588 624 S HA 0.654 5.124 4.470 -0.000 0.000 0.275 624 S C -1.223 173.484 174.600 0.177 0.000 1.130 624 S CA -0.896 57.418 58.200 0.190 0.000 0.855 624 S CB 2.056 65.447 63.200 0.318 0.000 1.116 624 S HN 0.711 nan 8.310 nan 0.000 0.472 625 T N -1.691 112.919 114.554 0.093 0.000 2.900 625 T HA 0.785 5.134 4.350 -0.000 0.000 0.303 625 T C -0.729 173.950 174.700 -0.035 0.000 1.142 625 T CA -0.914 61.220 62.100 0.057 0.000 1.007 625 T CB 1.041 69.973 68.868 0.108 0.000 1.156 625 T HN 0.960 nan 8.240 nan 0.000 0.490 626 V N 0.217 120.086 119.914 -0.074 0.000 2.628 626 V HA 0.707 4.827 4.120 -0.000 0.000 0.306 626 V C -0.313 175.694 176.094 -0.145 0.000 1.045 626 V CA -1.289 60.955 62.300 -0.093 0.000 0.905 626 V CB 1.183 32.969 31.823 -0.061 0.000 0.997 626 V HN 0.979 nan 8.190 nan 0.000 0.436 627 L N 3.131 124.260 121.223 -0.158 0.000 2.319 627 L HA 0.319 4.659 4.340 -0.000 0.000 0.280 627 L C 0.843 177.663 176.870 -0.084 0.000 1.099 627 L CA -0.046 54.697 54.840 -0.161 0.000 0.828 627 L CB 1.081 43.041 42.059 -0.165 0.000 1.150 627 L HN 0.769 nan 8.230 nan 0.000 0.442 628 T N 5.250 119.759 114.554 -0.076 0.000 2.736 628 T HA 0.199 4.549 4.350 -0.000 0.000 0.275 628 T C 0.350 175.048 174.700 -0.003 0.000 0.962 628 T CA 0.127 62.203 62.100 -0.041 0.000 1.214 628 T CB -0.647 68.198 68.868 -0.037 0.000 0.904 628 T HN 0.242 nan 8.240 nan 0.000 0.529 629 I N 6.680 127.258 120.570 0.013 0.000 2.612 629 I HA 0.415 4.585 4.170 -0.000 0.000 0.295 629 I C -1.742 174.401 176.117 0.043 0.000 1.011 629 I CA -2.290 59.033 61.300 0.038 0.000 1.326 629 I CB 0.822 38.846 38.000 0.040 0.000 1.427 629 I HN 0.381 nan 8.210 nan 0.000 0.537 630 P HA 0.399 nan 4.420 nan 0.000 0.295 630 P C -1.071 176.281 177.300 0.088 0.000 1.319 630 P CA -0.738 62.402 63.100 0.067 0.000 0.940 630 P CB 1.264 33.003 31.700 0.065 0.000 1.192 631 E N 0.542 120.783 120.200 0.068 0.000 2.516 631 E HA 0.018 4.368 4.350 -0.000 0.000 0.270 631 E C 0.194 176.862 176.600 0.113 0.000 1.130 631 E CA 0.725 57.169 56.400 0.073 0.000 1.023 631 E CB -0.056 29.676 29.700 0.054 0.000 1.004 631 E HN 0.348 nan 8.360 nan 0.000 0.463 632 I N 1.867 122.496 120.570 0.098 0.000 2.498 632 I HA 0.213 4.383 4.170 -0.000 0.000 0.301 632 I C -0.255 175.918 176.117 0.094 0.000 0.984 632 I CA -0.838 60.541 61.300 0.132 0.000 1.204 632 I CB 1.010 39.064 38.000 0.089 0.000 1.362 632 I HN 0.220 nan 8.210 nan 0.000 0.471 633 I N 6.218 126.844 120.570 0.093 0.000 2.354 633 I HA 0.388 4.557 4.170 -0.000 0.000 0.292 633 I C -0.183 175.959 176.117 0.043 0.000 0.989 633 I CA -0.496 60.836 61.300 0.053 0.000 1.188 633 I CB 1.492 39.515 38.000 0.037 0.000 1.342 633 I HN 0.236 nan 8.210 nan 0.000 0.457 634 I N 7.024 127.605 120.570 0.018 0.000 2.406 634 I HA 0.413 4.583 4.170 -0.000 0.000 0.290 634 I C -0.173 175.933 176.117 -0.018 0.000 0.999 634 I CA -0.741 60.556 61.300 -0.004 0.000 1.124 634 I CB 1.804 39.792 38.000 -0.020 0.000 1.289 634 I HN 0.502 nan 8.210 nan 0.000 0.441 635 K N 5.373 125.757 120.400 -0.027 0.000 2.464 635 K HA 0.794 5.114 4.320 -0.000 0.000 0.253 635 K C -1.045 175.528 176.600 -0.044 0.000 0.933 635 K CA -0.894 55.374 56.287 -0.031 0.000 0.801 635 K CB 2.847 35.336 32.500 -0.019 0.000 1.271 635 K HN 0.340 nan 8.250 nan 0.000 0.430 636 V N -0.746 119.139 119.914 -0.048 0.000 2.495 636 V HA 0.627 4.747 4.120 -0.000 0.000 0.298 636 V C -0.796 175.272 176.094 -0.043 0.000 1.031 636 V CA -0.999 61.269 62.300 -0.054 0.000 0.871 636 V CB 1.197 32.980 31.823 -0.067 0.000 0.988 636 V HN 0.790 nan 8.190 nan 0.000 0.432 637 R N 3.400 123.876 120.500 -0.039 0.000 2.480 637 R HA 0.891 5.231 4.340 -0.000 0.000 0.306 637 R C 0.264 176.546 176.300 -0.030 0.000 0.958 637 R CA -0.125 55.957 56.100 -0.030 0.000 0.861 637 R CB 1.956 32.242 30.300 -0.022 0.000 1.171 637 R HN 1.465 nan 8.270 nan 0.000 0.445 638 G N 0.655 109.439 108.800 -0.027 0.000 2.302 638 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.276 638 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.276 638 G C -1.160 173.725 174.900 -0.026 0.000 1.316 638 G CA -1.006 44.079 45.100 -0.024 0.000 0.988 638 G HN 0.429 nan 8.290 nan 0.000 0.479 639 T N -0.374 114.166 114.554 -0.023 0.000 2.811 639 T HA 0.489 4.838 4.350 -0.000 0.000 0.309 639 T C 0.298 174.981 174.700 -0.028 0.000 1.005 639 T CA -0.261 61.825 62.100 -0.022 0.000 0.955 639 T CB 1.529 70.388 68.868 -0.015 0.000 0.970 639 T HN 0.511 nan 8.240 nan 0.000 0.496 640 Q N 2.376 122.154 119.800 -0.036 0.000 3.151 640 Q HA 0.295 4.635 4.340 -0.000 0.000 0.277 640 Q C -0.644 175.333 176.000 -0.038 0.000 1.343 640 Q CA 0.039 55.814 55.803 -0.046 0.000 0.925 640 Q CB -0.527 28.178 28.738 -0.056 0.000 1.771 640 Q HN 0.611 nan 8.270 nan 0.000 0.514 641 V N 0.311 120.209 119.914 -0.027 0.000 2.638 641 V HA 0.295 4.415 4.120 -0.000 0.000 0.306 641 V C -0.060 176.031 176.094 -0.005 0.000 1.052 641 V CA -1.167 61.123 62.300 -0.016 0.000 0.885 641 V CB 2.120 33.937 31.823 -0.010 0.000 0.999 641 V HN 0.061 nan 8.190 nan 0.000 0.424 642 V N 4.197 124.113 119.914 0.003 0.000 2.752 642 V HA 0.250 4.370 4.120 -0.000 0.000 0.306 642 V C 1.621 177.745 176.094 0.050 0.000 1.099 642 V CA 1.961 64.280 62.300 0.031 0.000 1.240 642 V CB 0.185 32.035 31.823 0.046 0.000 0.887 642 V HN 1.456 nan 8.190 nan 0.000 0.499 643 G N 3.763 112.612 108.800 0.082 0.000 2.184 643 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 643 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 643 G C 0.257 175.186 174.900 0.049 0.000 0.975 643 G CA 0.289 45.435 45.100 0.076 0.000 0.642 643 G HN 0.848 nan 8.290 nan 0.000 0.536 644 S N 0.769 116.489 115.700 0.034 0.000 2.503 644 S HA 0.538 5.007 4.470 -0.000 0.000 0.301 644 S C -0.344 174.265 174.600 0.015 0.000 1.087 644 S CA -0.809 57.403 58.200 0.020 0.000 1.042 644 S CB 1.711 64.916 63.200 0.007 0.000 1.043 644 S HN 0.289 nan 8.310 nan 0.000 0.489 645 D N 2.170 122.578 120.400 0.013 0.000 2.449 645 D HA 0.143 4.783 4.640 -0.000 0.000 0.236 645 D C -0.180 176.115 176.300 -0.009 0.000 1.149 645 D CA 0.694 54.698 54.000 0.007 0.000 0.878 645 D CB 0.467 41.271 40.800 0.007 0.000 1.198 645 D HN 0.408 nan 8.370 nan 0.000 0.446 646 M N 1.021 120.610 119.600 -0.019 0.000 2.324 646 M HA 0.205 4.685 4.480 -0.000 0.000 0.288 646 M C -1.305 174.969 176.300 -0.044 0.000 1.097 646 M CA -0.437 54.842 55.300 -0.035 0.000 0.928 646 M CB 1.928 34.498 32.600 -0.049 0.000 1.648 646 M HN 0.099 nan 8.290 nan 0.000 0.460 647 T N 3.489 118.016 114.554 -0.044 0.000 2.909 647 T HA 0.673 5.023 4.350 -0.000 0.000 0.286 647 T C -0.773 173.881 174.700 -0.075 0.000 1.002 647 T CA -0.522 61.546 62.100 -0.054 0.000 1.074 647 T CB 1.460 70.307 68.868 -0.035 0.000 0.984 647 T HN 0.505 nan 8.240 nan 0.000 0.495 648 V N 2.479 122.327 119.914 -0.110 0.000 2.709 648 V HA 0.608 4.728 4.120 -0.000 0.000 0.308 648 V C -0.276 175.732 176.094 -0.144 0.000 1.062 648 V CA -0.903 61.317 62.300 -0.133 0.000 0.901 648 V CB 2.345 34.056 31.823 -0.186 0.000 1.003 648 V HN 1.031 nan 8.190 nan 0.000 0.425 649 T N 2.966 117.464 114.554 -0.092 0.000 2.841 649 T HA 0.610 4.960 4.350 -0.000 0.000 0.285 649 T C -0.585 174.107 174.700 -0.013 0.000 0.991 649 T CA -0.498 61.575 62.100 -0.045 0.000 0.966 649 T CB 1.738 70.604 68.868 -0.003 0.000 0.962 649 T HN 0.339 nan 8.240 nan 0.000 0.438 650 V N 2.998 122.936 119.914 0.040 0.000 2.435 650 V HA 0.533 4.652 4.120 -0.000 0.000 0.290 650 V C 0.053 176.240 176.094 0.155 0.000 1.030 650 V CA -0.599 61.769 62.300 0.113 0.000 0.881 650 V CB 1.582 33.538 31.823 0.222 0.000 0.983 650 V HN 0.908 nan 8.190 nan 0.000 0.445 651 E N 4.127 124.401 120.200 0.124 0.000 2.244 651 E HA 0.433 4.782 4.350 -0.000 0.000 0.260 651 E C -2.097 174.587 176.600 0.140 0.000 0.884 651 E CA -0.565 55.892 56.400 0.095 0.000 0.777 651 E CB 1.710 31.437 29.700 0.045 0.000 1.197 651 E HN 0.517 nan 8.360 nan 0.000 0.416 652 F N 3.126 123.046 119.950 -0.050 0.000 2.493 652 F HA 0.458 4.985 4.527 -0.000 0.000 0.329 652 F C -1.039 174.706 175.800 -0.092 0.000 1.126 652 F CA -0.472 57.490 58.000 -0.064 0.000 0.937 652 F CB 1.988 40.947 39.000 -0.068 0.000 1.146 652 F HN 0.152 nan 8.300 nan 0.000 0.442 653 T N 5.503 119.563 114.554 -0.824 0.000 2.743 653 T HA 0.149 4.499 4.350 -0.000 0.000 0.292 653 T C -0.351 173.675 174.700 -1.123 0.000 0.972 653 T CA -0.532 61.113 62.100 -0.760 0.000 0.967 653 T CB 0.256 68.921 68.868 -0.339 0.000 0.926 653 T HN 0.587 nan 8.240 nan 0.000 0.459 654 N N 5.613 123.759 118.700 -0.923 0.000 2.423 654 N HA 0.035 4.774 4.740 -0.000 0.000 0.275 654 N C -1.144 174.209 175.510 -0.263 0.000 1.283 654 N CA -1.885 50.837 53.050 -0.547 0.000 0.932 654 N CB 0.955 39.280 38.487 -0.271 0.000 1.185 654 N HN 0.262 nan 8.380 nan 0.000 0.483 655 P HA -0.058 nan 4.420 nan 0.000 0.219 655 P C 0.464 177.754 177.300 -0.017 0.000 1.154 655 P CA 0.651 63.722 63.100 -0.048 0.000 0.826 655 P CB 0.436 32.150 31.700 0.022 0.000 0.795 656 L N -0.047 121.181 121.223 0.008 0.000 2.473 656 L HA 0.114 4.454 4.340 -0.000 0.000 0.268 656 L C 1.758 178.621 176.870 -0.011 0.000 1.215 656 L CA -0.171 54.677 54.840 0.012 0.000 0.823 656 L CB -0.034 42.044 42.059 0.031 0.000 1.099 656 L HN -0.205 nan 8.230 nan 0.000 0.483 657 K N 0.502 120.896 120.400 -0.010 0.000 2.458 657 K HA 0.065 4.385 4.320 -0.000 0.000 0.194 657 K C -0.197 176.393 176.600 -0.017 0.000 1.024 657 K CA 0.314 56.590 56.287 -0.019 0.000 1.108 657 K CB 0.163 32.653 32.500 -0.018 0.000 0.846 657 K HN 0.507 nan 8.250 nan 0.000 0.518 658 E N -0.419 119.775 120.200 -0.009 0.000 2.222 658 E HA 0.186 4.536 4.350 -0.000 0.000 0.267 658 E C -0.657 175.941 176.600 -0.004 0.000 0.963 658 E CA -0.680 55.717 56.400 -0.005 0.000 0.837 658 E CB 1.344 31.045 29.700 0.002 0.000 1.183 658 E HN 0.175 nan 8.360 nan 0.000 0.403 659 T N -0.511 114.041 114.554 -0.003 0.000 2.856 659 T HA 0.491 4.841 4.350 -0.000 0.000 0.292 659 T C -0.127 174.580 174.700 0.013 0.000 0.980 659 T CA -0.759 61.340 62.100 -0.002 0.000 1.091 659 T CB 0.109 68.973 68.868 -0.007 0.000 0.936 659 T HN 0.258 nan 8.240 nan 0.000 0.503 660 L N 3.278 124.516 121.223 0.025 0.000 2.325 660 L HA 0.615 4.955 4.340 -0.000 0.000 0.279 660 L C 0.826 177.715 176.870 0.030 0.000 1.054 660 L CA -0.982 53.885 54.840 0.045 0.000 0.804 660 L CB 1.217 43.331 42.059 0.092 0.000 1.200 660 L HN 0.615 nan 8.230 nan 0.000 0.436 661 R N 2.312 122.826 120.500 0.024 0.000 2.670 661 R HA 0.379 4.719 4.340 -0.000 0.000 0.289 661 R C -0.764 175.530 176.300 -0.010 0.000 0.965 661 R CA -0.984 55.119 56.100 0.005 0.000 0.899 661 R CB 1.474 31.775 30.300 0.002 0.000 1.173 661 R HN 0.636 nan 8.270 nan 0.000 0.456 662 N N 0.324 118.990 118.700 -0.057 0.000 2.648 662 N HA -0.137 4.603 4.740 -0.000 0.000 0.265 662 N C -1.053 174.357 175.510 -0.166 0.000 1.100 662 N CA 0.508 53.469 53.050 -0.148 0.000 0.715 662 N CB -1.037 37.411 38.487 -0.064 0.000 0.881 662 N HN 0.213 nan 8.380 nan 0.000 0.548 663 V N 0.919 120.745 119.914 -0.147 0.000 2.385 663 V HA 0.267 4.387 4.120 -0.000 0.000 0.269 663 V C 0.555 176.564 176.094 -0.143 0.000 1.043 663 V CA -0.523 61.755 62.300 -0.037 0.000 0.906 663 V CB 0.323 32.209 31.823 0.104 0.000 0.995 663 V HN 0.290 nan 8.190 nan 0.000 0.467 664 W N 3.715 125.050 121.300 0.059 0.000 2.361 664 W HA 0.647 5.307 4.660 -0.000 0.000 0.309 664 W C -0.398 176.175 176.519 0.090 0.000 1.122 664 W CA -0.515 56.838 57.345 0.014 0.000 1.208 664 W CB 1.711 31.190 29.460 0.031 0.000 1.246 664 W HN 0.324 nan 8.180 nan 0.000 0.490 665 V N 3.962 124.045 119.914 0.283 0.000 2.628 665 V HA 0.386 4.505 4.120 -0.000 0.000 0.306 665 V C -0.236 176.055 176.094 0.328 0.000 1.045 665 V CA -1.044 61.454 62.300 0.330 0.000 0.905 665 V CB 1.501 33.557 31.823 0.388 0.000 0.997 665 V HN 0.437 nan 8.190 nan 0.000 0.436 666 H N 3.905 123.155 119.070 0.300 0.000 2.547 666 H HA 0.539 5.095 4.556 -0.000 0.000 0.342 666 H C -1.209 174.286 175.328 0.279 0.000 1.048 666 H CA -0.677 55.545 56.048 0.291 0.000 1.204 666 H CB 2.675 32.514 29.762 0.128 0.000 1.493 666 H HN 0.417 nan 8.280 nan 0.000 0.511 667 L N 3.182 124.621 121.223 0.361 0.000 2.329 667 L HA 0.409 4.749 4.340 -0.000 0.000 0.279 667 L C -0.659 176.260 176.870 0.082 0.000 1.014 667 L CA -0.134 54.775 54.840 0.114 0.000 0.814 667 L CB 1.452 43.412 42.059 -0.165 0.000 1.257 667 L HN 0.635 nan 8.230 nan 0.000 0.424 668 D N 2.267 122.679 120.400 0.020 0.000 2.579 668 D HA 0.816 5.456 4.640 -0.000 0.000 0.257 668 D C -1.202 175.066 176.300 -0.052 0.000 1.176 668 D CA 0.059 54.057 54.000 -0.004 0.000 0.914 668 D CB 2.613 43.394 40.800 -0.032 0.000 1.431 668 D HN 0.782 nan 8.370 nan 0.000 0.454 669 G N 1.712 110.476 108.800 -0.060 0.000 1.882 669 G HA2 0.239 4.198 3.960 -0.000 0.000 0.256 669 G HA3 0.239 4.198 3.960 -0.000 0.000 0.256 669 G C -3.105 171.727 174.900 -0.113 0.000 2.065 669 G CA -0.889 44.152 45.100 -0.098 0.000 0.882 669 G HN 0.267 nan 8.290 nan 0.000 0.574 670 P HA 0.340 nan 4.420 nan 0.000 0.267 670 P C 1.189 178.359 177.300 -0.216 0.000 1.209 670 P CA 1.566 64.638 63.100 -0.048 0.000 0.763 670 P CB 1.322 33.036 31.700 0.024 0.000 0.816 671 G N 2.164 110.680 108.800 -0.472 0.000 2.234 671 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.235 671 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.235 671 G C 0.582 174.583 174.900 -1.498 0.000 0.997 671 G CA 0.247 44.691 45.100 -1.094 0.000 0.623 671 G HN 0.399 nan 8.290 nan 0.000 0.514 672 V N -0.762 118.593 119.914 -0.932 0.000 2.911 672 V HA 0.511 4.631 4.120 -0.000 0.000 0.237 672 V C 1.059 176.912 176.094 -0.402 0.000 1.156 672 V CA 1.863 63.798 62.300 -0.607 0.000 1.180 672 V CB 1.043 32.676 31.823 -0.316 0.000 0.932 672 V HN 0.688 nan 8.190 nan 0.000 0.483 673 T N -0.468 113.959 114.554 -0.211 0.000 2.821 673 T HA 0.483 4.833 4.350 -0.000 0.000 0.306 673 T C -1.181 173.653 174.700 0.224 0.000 1.313 673 T CA -0.615 61.544 62.100 0.098 0.000 1.012 673 T CB 2.130 71.012 68.868 0.023 0.000 1.298 673 T HN 0.321 nan 8.240 nan 0.000 0.502 674 R N 2.713 123.375 120.500 0.270 0.000 2.441 674 R HA 0.509 4.849 4.340 -0.000 0.000 0.284 674 R C -2.224 174.162 176.300 0.144 0.000 1.070 674 R CA -1.447 54.781 56.100 0.212 0.000 1.047 674 R CB 0.618 31.020 30.300 0.169 0.000 1.016 674 R HN 0.353 nan 8.270 nan 0.000 0.477 675 P HA -0.092 nan 4.420 nan 0.000 0.264 675 P C -0.847 176.545 177.300 0.154 0.000 1.179 675 P CA 0.812 63.991 63.100 0.132 0.000 0.763 675 P CB 0.585 32.369 31.700 0.139 0.000 0.806 676 M N 2.164 121.875 119.600 0.186 0.000 2.619 676 M HA 0.421 4.900 4.480 -0.000 0.000 0.297 676 M C -0.097 176.338 176.300 0.226 0.000 1.229 676 M CA -0.715 54.725 55.300 0.233 0.000 0.860 676 M CB 3.086 35.883 32.600 0.327 0.000 1.741 676 M HN 0.213 nan 8.290 nan 0.000 0.462 677 K N 1.292 121.765 120.400 0.120 0.000 2.477 677 K HA 0.709 5.029 4.320 -0.000 0.000 0.255 677 K C -1.341 175.213 176.600 -0.076 0.000 0.952 677 K CA -1.088 55.138 56.287 -0.100 0.000 0.826 677 K CB 3.426 35.724 32.500 -0.337 0.000 1.331 677 K HN 0.474 nan 8.250 nan 0.000 0.437 678 K N 1.957 122.201 120.400 -0.261 0.000 2.532 678 K HA 0.445 4.764 4.320 -0.000 0.000 0.265 678 K C -1.701 174.435 176.600 -0.775 0.000 0.948 678 K CA -0.692 55.202 56.287 -0.655 0.000 0.842 678 K CB 2.437 34.059 32.500 -1.463 0.000 1.392 678 K HN 0.645 nan 8.250 nan 0.000 0.436 679 M N 3.152 122.092 119.600 -1.100 0.000 2.535 679 M HA 0.505 4.985 4.480 -0.000 0.000 0.314 679 M C -1.735 173.904 176.300 -1.102 0.000 1.153 679 M CA -0.733 53.828 55.300 -1.232 0.000 0.924 679 M CB 1.228 32.866 32.600 -1.603 0.000 1.710 679 M HN 0.542 nan 8.290 nan 0.000 0.451 680 F N 2.774 122.456 119.950 -0.447 0.000 2.499 680 F HA 0.484 5.011 4.527 -0.000 0.000 0.333 680 F C 1.084 176.740 175.800 -0.239 0.000 1.138 680 F CA -0.780 57.057 58.000 -0.272 0.000 0.945 680 F CB 1.239 40.132 39.000 -0.178 0.000 1.181 680 F HN 0.625 nan 8.300 nan 0.000 0.435 681 R N 1.487 121.948 120.500 -0.066 0.000 2.119 681 R HA -0.132 4.208 4.340 -0.000 0.000 0.246 681 R C 0.079 176.366 176.300 -0.022 0.000 1.146 681 R CA 1.759 57.817 56.100 -0.070 0.000 0.962 681 R CB -0.105 30.162 30.300 -0.056 0.000 0.863 681 R HN 0.785 nan 8.270 nan 0.000 0.442 682 E N -0.673 119.540 120.200 0.021 0.000 2.423 682 E HA 0.421 4.771 4.350 -0.000 0.000 0.280 682 E C -1.011 175.599 176.600 0.016 0.000 1.030 682 E CA -0.707 55.702 56.400 0.015 0.000 0.812 682 E CB 1.569 31.268 29.700 -0.001 0.000 1.313 682 E HN -0.048 nan 8.360 nan 0.000 0.456 683 I N 1.505 122.070 120.570 -0.008 0.000 2.540 683 I HA 0.276 4.446 4.170 -0.000 0.000 0.280 683 I C -0.184 175.904 176.117 -0.049 0.000 1.083 683 I CA -0.962 60.308 61.300 -0.051 0.000 1.080 683 I CB 1.445 39.407 38.000 -0.063 0.000 1.205 683 I HN 0.281 nan 8.210 nan 0.000 0.459 684 R N 4.546 125.014 120.500 -0.053 0.000 2.817 684 R HA 0.143 4.483 4.340 -0.000 0.000 0.264 684 R C -2.359 173.905 176.300 -0.060 0.000 1.009 684 R CA -1.532 54.540 56.100 -0.047 0.000 1.133 684 R CB -0.276 29.998 30.300 -0.043 0.000 1.013 684 R HN 0.187 nan 8.270 nan 0.000 0.453 685 P HA -0.032 nan 4.420 nan 0.000 0.264 685 P C -0.372 176.886 177.300 -0.071 0.000 1.183 685 P CA 0.574 63.644 63.100 -0.050 0.000 0.763 685 P CB 0.151 31.830 31.700 -0.035 0.000 0.807 686 N N -1.423 117.224 118.700 -0.088 0.000 2.713 686 N HA -0.172 4.567 4.740 -0.000 0.000 0.251 686 N C -0.364 175.067 175.510 -0.132 0.000 1.117 686 N CA 0.286 53.273 53.050 -0.106 0.000 0.770 686 N CB -1.219 37.224 38.487 -0.072 0.000 1.137 686 N HN 0.353 nan 8.380 nan 0.000 0.566 687 S N -0.231 115.378 115.700 -0.151 0.000 2.652 687 S HA 0.475 4.945 4.470 -0.000 0.000 0.270 687 S C 0.492 174.952 174.600 -0.234 0.000 1.243 687 S CA -0.195 57.910 58.200 -0.158 0.000 0.999 687 S CB 1.883 65.006 63.200 -0.128 0.000 0.973 687 S HN 0.105 nan 8.310 nan 0.000 0.544 688 T N 1.761 116.198 114.554 -0.195 0.000 2.848 688 T HA 0.590 4.939 4.350 -0.000 0.000 0.285 688 T C -0.420 174.169 174.700 -0.184 0.000 0.995 688 T CA -0.609 61.362 62.100 -0.216 0.000 0.970 688 T CB 1.122 69.900 68.868 -0.151 0.000 0.976 688 T HN 0.496 nan 8.240 nan 0.000 0.441 689 V N 1.746 121.521 119.914 -0.233 0.000 3.019 689 V HA 0.777 4.897 4.120 -0.000 0.000 0.317 689 V C -0.708 175.312 176.094 -0.122 0.000 1.094 689 V CA -0.982 61.166 62.300 -0.254 0.000 1.000 689 V CB 1.972 33.395 31.823 -0.667 0.000 1.060 689 V HN 0.828 nan 8.190 nan 0.000 0.443 690 Q N 0.863 120.662 119.800 -0.000 0.000 2.331 690 Q HA 0.451 4.790 4.340 -0.000 0.000 0.272 690 Q C -2.335 173.867 176.000 0.337 0.000 1.062 690 Q CA -0.516 55.367 55.803 0.133 0.000 0.806 690 Q CB 2.896 31.692 28.738 0.097 0.000 1.312 690 Q HN 0.881 nan 8.270 nan 0.000 0.431 691 W N 4.318 125.701 121.300 0.138 0.000 2.499 691 W HA 0.379 5.039 4.660 -0.000 0.000 0.320 691 W C -1.236 175.341 176.519 0.096 0.000 1.010 691 W CA -0.702 56.746 57.345 0.172 0.000 1.267 691 W CB 1.180 30.786 29.460 0.243 0.000 1.316 691 W HN 0.474 nan 8.180 nan 0.000 0.431 692 E N 4.015 124.375 120.200 0.266 0.000 2.134 692 E HA 0.224 4.573 4.350 -0.000 0.000 0.278 692 E C -0.957 175.582 176.600 -0.101 0.000 0.959 692 E CA -0.552 55.859 56.400 0.019 0.000 0.783 692 E CB 2.218 31.965 29.700 0.077 0.000 1.095 692 E HN 0.344 nan 8.360 nan 0.000 0.399 693 E N 1.751 121.772 120.200 -0.298 0.000 2.263 693 E HA 0.252 4.602 4.350 -0.000 0.000 0.268 693 E C -1.422 175.078 176.600 -0.167 0.000 0.884 693 E CA -0.691 55.544 56.400 -0.275 0.000 0.766 693 E CB 1.672 31.004 29.700 -0.614 0.000 1.196 693 E HN 0.125 nan 8.360 nan 0.000 0.416 694 V N 3.783 123.654 119.914 -0.072 0.000 2.498 694 V HA 0.348 4.468 4.120 -0.000 0.000 0.279 694 V C -0.120 175.954 176.094 -0.034 0.000 1.048 694 V CA -0.547 61.727 62.300 -0.043 0.000 0.967 694 V CB 0.797 32.616 31.823 -0.006 0.000 0.988 694 V HN 0.786 nan 8.190 nan 0.000 0.473 695 C N 4.911 124.189 119.300 -0.037 0.000 2.561 695 C HA 0.627 5.087 4.460 -0.000 0.000 0.319 695 C C 0.451 175.450 174.990 0.016 0.000 1.198 695 C CA -0.904 58.108 59.018 -0.011 0.000 1.665 695 C CB 1.475 29.181 27.740 -0.056 0.000 2.258 695 C HN 0.944 nan 8.230 nan 0.000 0.493 696 R N 2.772 123.319 120.500 0.078 0.000 2.477 696 R HA 0.282 4.622 4.340 -0.000 0.000 0.285 696 R C -2.366 174.042 176.300 0.180 0.000 1.415 696 R CA -1.000 55.161 56.100 0.102 0.000 1.446 696 R CB 0.709 31.077 30.300 0.112 0.000 1.110 696 R HN 0.604 nan 8.270 nan 0.000 0.590 697 P HA -0.122 nan 4.420 nan 0.000 0.271 697 P C -0.490 176.916 177.300 0.176 0.000 1.228 697 P CA 0.341 63.401 63.100 -0.067 0.000 0.797 697 P CB 0.307 31.913 31.700 -0.156 0.000 0.914 698 W N -1.388 119.918 121.300 0.011 0.000 1.497 698 W HA 0.518 5.177 4.660 -0.000 0.000 0.221 698 W C -1.390 175.141 176.519 0.020 0.000 0.795 698 W CA -0.429 56.926 57.345 0.018 0.000 1.057 698 W CB -0.382 29.093 29.460 0.025 0.000 0.935 698 W HN -0.098 nan 8.180 nan 0.000 0.468 699 V N 1.931 121.755 119.914 -0.150 0.000 2.823 699 V HA 0.642 4.762 4.120 -0.000 0.000 0.312 699 V C 0.096 176.140 176.094 -0.083 0.000 1.072 699 V CA -0.623 61.622 62.300 -0.091 0.000 0.937 699 V CB 1.995 33.698 31.823 -0.199 0.000 1.013 699 V HN 0.079 nan 8.190 nan 0.000 0.430 700 S N 1.492 117.175 115.700 -0.028 0.000 2.745 700 S HA 0.922 5.392 4.470 -0.000 0.000 0.292 700 S C 0.441 175.029 174.600 -0.019 0.000 1.133 700 S CA 0.233 58.418 58.200 -0.024 0.000 0.998 700 S CB 1.566 64.766 63.200 0.001 0.000 1.087 700 S HN 1.753 nan 8.310 nan 0.000 0.551 701 G N 0.712 109.504 108.800 -0.014 0.000 2.527 701 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.227 701 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.227 701 G C -0.493 174.415 174.900 0.013 0.000 1.291 701 G CA -0.164 44.944 45.100 0.012 0.000 0.904 701 G HN 1.001 nan 8.290 nan 0.000 0.577 702 H N 2.085 121.135 119.070 -0.033 0.000 2.955 702 H HA 0.590 5.146 4.556 -0.000 0.000 0.290 702 H C 0.818 176.117 175.328 -0.048 0.000 1.047 702 H CA 0.045 56.071 56.048 -0.037 0.000 1.484 702 H CB 0.199 29.945 29.762 -0.025 0.000 1.501 702 H HN 0.509 nan 8.280 nan 0.000 0.521 703 R N 4.043 124.495 120.500 -0.081 0.000 2.867 703 R HA 0.472 4.811 4.340 -0.000 0.000 0.268 703 R C -0.798 175.456 176.300 -0.077 0.000 1.014 703 R CA -1.097 54.980 56.100 -0.038 0.000 0.946 703 R CB 2.039 32.269 30.300 -0.116 0.000 1.208 703 R HN 0.586 nan 8.270 nan 0.000 0.477 704 K N 1.181 121.553 120.400 -0.047 0.000 2.375 704 K HA 0.522 4.842 4.320 -0.000 0.000 0.249 704 K C -0.657 175.893 176.600 -0.084 0.000 0.942 704 K CA -0.748 55.506 56.287 -0.055 0.000 0.806 704 K CB 2.247 34.736 32.500 -0.019 0.000 1.227 704 K HN 0.296 nan 8.250 nan 0.000 0.430 705 L N 3.475 124.648 121.223 -0.083 0.000 2.334 705 L HA 0.584 4.924 4.340 -0.000 0.000 0.275 705 L C -0.366 176.464 176.870 -0.065 0.000 1.036 705 L CA -0.801 53.989 54.840 -0.085 0.000 0.807 705 L CB 1.083 43.090 42.059 -0.087 0.000 1.231 705 L HN 0.444 nan 8.230 nan 0.000 0.438 706 I N 1.519 122.053 120.570 -0.059 0.000 2.730 706 I HA 0.759 4.929 4.170 -0.000 0.000 0.298 706 I C -0.540 175.577 176.117 -0.000 0.000 1.089 706 I CA -0.543 60.728 61.300 -0.049 0.000 1.041 706 I CB 2.206 40.146 38.000 -0.100 0.000 1.235 706 I HN 0.650 nan 8.210 nan 0.000 0.423 707 A N 3.362 126.209 122.820 0.044 0.000 2.587 707 A HA 0.937 5.257 4.320 -0.000 0.000 0.293 707 A C -0.881 176.801 177.584 0.163 0.000 1.087 707 A CA -0.430 51.674 52.037 0.111 0.000 0.692 707 A CB 2.133 21.196 19.000 0.106 0.000 1.291 707 A HN 0.781 nan 8.150 nan 0.000 0.407 708 S N 0.815 116.614 115.700 0.164 0.000 2.588 708 S HA 0.812 5.281 4.470 -0.000 0.000 0.269 708 S C -1.095 173.512 174.600 0.011 0.000 1.157 708 S CA -0.560 57.683 58.200 0.072 0.000 0.824 708 S CB 1.848 65.121 63.200 0.122 0.000 1.126 708 S HN 1.614 nan 8.310 nan 0.000 0.464 709 M N 2.361 121.852 119.600 -0.183 0.000 2.378 709 M HA 0.659 5.139 4.480 -0.000 0.000 0.289 709 M C -1.656 174.539 176.300 -0.176 0.000 1.136 709 M CA -0.111 55.083 55.300 -0.177 0.000 0.917 709 M CB 1.876 34.160 32.600 -0.526 0.000 1.669 709 M HN 1.009 nan 8.290 nan 0.000 0.461 710 S N 2.664 118.358 115.700 -0.009 0.000 2.548 710 S HA 0.898 5.368 4.470 -0.000 0.000 0.276 710 S C -1.203 173.462 174.600 0.108 0.000 1.129 710 S CA -0.201 58.013 58.200 0.023 0.000 0.931 710 S CB 1.510 64.736 63.200 0.043 0.000 1.068 710 S HN 0.905 nan 8.310 nan 0.000 0.480 711 S N 2.102 117.849 115.700 0.079 0.000 2.661 711 S HA 0.466 4.936 4.470 -0.000 0.000 0.285 711 S C -0.060 174.596 174.600 0.093 0.000 1.138 711 S CA -0.510 57.743 58.200 0.089 0.000 0.855 711 S CB 1.218 64.452 63.200 0.056 0.000 1.136 711 S HN 0.718 nan 8.310 nan 0.000 0.484 712 D N 0.749 121.199 120.400 0.083 0.000 2.392 712 D HA 0.044 4.684 4.640 -0.000 0.000 0.228 712 D C 1.080 177.409 176.300 0.049 0.000 1.003 712 D CA 0.856 54.899 54.000 0.071 0.000 0.917 712 D CB -0.285 40.549 40.800 0.057 0.000 0.890 712 D HN 0.339 nan 8.370 nan 0.000 0.532 713 S N -0.271 115.458 115.700 0.048 0.000 2.755 713 S HA 0.233 4.703 4.470 -0.000 0.000 0.165 713 S C 0.435 175.060 174.600 0.042 0.000 0.723 713 S CA -0.583 57.641 58.200 0.039 0.000 0.867 713 S CB -0.229 62.994 63.200 0.038 0.000 0.740 713 S HN 0.220 nan 8.310 nan 0.000 0.568 714 L N 2.589 123.839 121.223 0.045 0.000 2.421 714 L HA 0.611 4.950 4.340 -0.000 0.000 0.263 714 L C -0.223 176.654 176.870 0.012 0.000 1.122 714 L CA -0.233 54.630 54.840 0.037 0.000 0.804 714 L CB 0.727 42.819 42.059 0.055 0.000 1.150 714 L HN 0.638 nan 8.230 nan 0.000 0.457 715 R N 0.984 121.484 120.500 -0.001 0.000 2.752 715 R HA 0.363 4.703 4.340 -0.000 0.000 0.277 715 R C -0.998 175.289 176.300 -0.021 0.000 1.024 715 R CA -0.668 55.406 56.100 -0.044 0.000 0.866 715 R CB 0.286 30.596 30.300 0.016 0.000 1.278 715 R HN 0.688 nan 8.270 nan 0.000 0.473 716 H N -1.722 117.163 119.070 -0.309 0.000 3.075 716 H HA -0.039 4.517 4.556 -0.000 0.000 0.287 716 H C -1.865 173.038 175.328 -0.708 0.000 1.310 716 H CA 0.655 56.423 56.048 -0.466 0.000 1.167 716 H CB -0.650 28.997 29.762 -0.190 0.000 1.319 716 H HN 0.424 nan 8.280 nan 0.000 0.408 717 V N 1.870 121.255 119.914 -0.881 0.000 2.555 717 V HA 0.609 4.728 4.120 -0.000 0.000 0.302 717 V C -0.254 175.297 176.094 -0.904 0.000 1.038 717 V CA -0.388 61.504 62.300 -0.680 0.000 0.887 717 V CB 1.462 32.992 31.823 -0.488 0.000 0.991 717 V HN 0.320 nan 8.190 nan 0.000 0.434 718 Y N 1.456 121.692 120.300 -0.105 0.000 2.644 718 Y HA 0.904 5.454 4.550 -0.000 0.000 0.338 718 Y C 0.467 176.340 175.900 -0.044 0.000 1.119 718 Y CA -0.888 57.156 58.100 -0.094 0.000 1.060 718 Y CB 2.399 40.786 38.460 -0.121 0.000 1.294 718 Y HN 0.794 nan 8.280 nan 0.000 0.472 719 G N -0.012 108.878 108.800 0.150 0.000 2.673 719 G HA2 0.628 4.587 3.960 -0.000 0.000 0.292 719 G HA3 0.628 4.587 3.960 -0.000 0.000 0.292 719 G C -1.967 172.958 174.900 0.041 0.000 1.450 719 G CA -0.990 44.157 45.100 0.077 0.000 0.837 719 G HN 0.725 nan 8.290 nan 0.000 0.505 720 E N -0.502 119.705 120.200 0.012 0.000 2.430 720 E HA 0.748 5.098 4.350 -0.000 0.000 0.279 720 E C -1.944 174.643 176.600 -0.021 0.000 1.003 720 E CA -1.113 55.277 56.400 -0.016 0.000 0.801 720 E CB 2.593 32.275 29.700 -0.031 0.000 1.313 720 E HN 0.628 nan 8.360 nan 0.000 0.459 721 L N 1.303 122.504 121.223 -0.037 0.000 2.513 721 L HA 0.404 4.744 4.340 -0.000 0.000 0.261 721 L C -2.036 174.792 176.870 -0.071 0.000 0.945 721 L CA -0.812 53.999 54.840 -0.048 0.000 0.848 721 L CB 2.227 44.253 42.059 -0.055 0.000 1.334 721 L HN 0.649 nan 8.230 nan 0.000 0.407 722 D N 4.007 124.354 120.400 -0.088 0.000 2.396 722 D HA 0.383 5.023 4.640 -0.000 0.000 0.225 722 D C 0.048 176.196 176.300 -0.254 0.000 1.121 722 D CA 0.074 53.959 54.000 -0.191 0.000 0.853 722 D CB 1.612 42.294 40.800 -0.197 0.000 1.043 722 D HN 0.312 nan 8.370 nan 0.000 0.500 723 V N 0.547 120.317 119.914 -0.241 0.000 2.837 723 V HA 0.579 4.699 4.120 -0.000 0.000 0.310 723 V C -0.144 175.802 176.094 -0.245 0.000 1.059 723 V CA -0.884 61.296 62.300 -0.200 0.000 1.004 723 V CB 1.666 33.401 31.823 -0.147 0.000 1.045 723 V HN 0.306 nan 8.190 nan 0.000 0.465 724 Q N 1.904 121.598 119.800 -0.178 0.000 2.331 724 Q HA 0.725 5.065 4.340 -0.000 0.000 0.267 724 Q C -1.073 174.869 176.000 -0.096 0.000 1.006 724 Q CA -0.394 55.321 55.803 -0.146 0.000 0.818 724 Q CB 1.729 30.399 28.738 -0.113 0.000 1.276 724 Q HN 0.849 nan 8.270 nan 0.000 0.450 725 I N 2.600 123.121 120.570 -0.081 0.000 2.910 725 I HA 0.556 4.726 4.170 -0.000 0.000 0.310 725 I C -0.241 175.853 176.117 -0.038 0.000 1.043 725 I CA -1.005 60.257 61.300 -0.062 0.000 1.053 725 I CB 1.864 39.817 38.000 -0.079 0.000 1.242 725 I HN 0.655 nan 8.210 nan 0.000 0.452 726 Q N 3.108 122.892 119.800 -0.027 0.000 2.814 726 Q HA 0.611 4.951 4.340 -0.000 0.000 0.322 726 Q C -1.624 174.372 176.000 -0.007 0.000 0.888 726 Q CA -0.951 54.844 55.803 -0.014 0.000 0.768 726 Q CB 2.505 31.235 28.738 -0.013 0.000 1.443 726 Q HN 0.659 nan 8.270 nan 0.000 0.497 727 R N 0.000 120.499 120.500 -0.002 0.000 2.786 727 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 727 R CA 0.000 56.100 56.100 0.000 0.000 0.921 727 R CB 0.000 30.303 30.300 0.006 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535