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 1e61_1_A DATA FIRST_RESID 4 DATA SEQUENCE ANGTVMSGSH WGVFTATVEN GRATAFTPWE KDPHPSPMLA GVLDSIYSPT DATA SEQUENCE RIKYPMVRRE FLEKGVNADR STRGNGDFVR VSWDQALDLV AAEVKRVEET DATA SEQUENCE YGPEGVFGGS YGWKSPGRLH NCTTLLRRML TLAGGYVNGA GDYSTGAAQV DATA SEQUENCE IMPHVVGTLE VYEQQTAWPV LAENTEVMVF WAADPIKTSQ IGWVIPEHGA DATA SEQUENCE YPGLEALKAK GTKVIVIDPV RTKTVEFFGA EHITPKPQTD VAIMLGMAHT DATA SEQUENCE LVAEDLYDKD FIANYTSGFD KFLPYLDGET DSTPKTAEWA EGISGVPAET DATA SEQUENCE IKELARLFES KRTMLAAGWS MQRMHHGEQA HWMLVTLASM LGQIGLPGGG DATA SEQUENCE FGLSYHYSGG GTPSTSGPAL AGITDGGXXX XXXXXXXXXG ASVIPVARVV DATA SEQUENCE DMLENPGAEF DFNGTRSKFP DVKMAYWVGG NPFVHHQDRN RMVKAWEKLE DATA SEQUENCE TFVVHDFQWT PTARHADIVL PATTSYERND IETIGDYSNT GILAMKKIVE DATA SEQUENCE PLYEARSDYD IFAAVAERLG KGAEFTEGKD EMGWIKSFYD DAAKQGKAAG DATA SEQUENCE VEMPAFDAFW AEGIVEFPVT DGADFVRYAS FREDPLLNPL GTPTGLIEIY DATA SEQUENCE SKNIEKMGYD DCPAHPTWME PLERLDGPGA KYPLHIAASH PFNRLHSQLN DATA SEQUENCE GTVLREGYAV QGHEPCLMHP DDAAARGIAD GDVVRVHNDR GQILTGVKVT DATA SEQUENCE DAVMKGVIQI YEGGWYDPSD VTEPGTLDKY GDVNVLSADI GTSKLAQGNC DATA SEQUENCE GQTVLAEVEK YTGPAVTLTG FVAPKAAE 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.591 177.584 0.012 0.000 1.274 4 A CA 0.000 52.045 52.037 0.013 0.000 0.836 4 A CB 0.000 19.013 19.000 0.021 0.000 0.831 5 N N 0.407 119.113 118.700 0.009 0.000 2.260 5 N HA 0.779 5.518 4.740 -0.001 0.000 0.293 5 N C -0.046 175.468 175.510 0.006 0.000 1.058 5 N CA 0.451 53.505 53.050 0.007 0.000 0.824 5 N CB 2.445 40.934 38.487 0.002 0.000 1.551 5 N HN 1.930 nan 8.380 nan 0.000 0.475 6 G N 0.021 108.826 108.800 0.008 0.000 2.325 6 G HA2 0.072 4.032 3.960 -0.001 0.000 0.285 6 G HA3 0.072 4.032 3.960 -0.001 0.000 0.285 6 G C -1.361 173.544 174.900 0.008 0.000 1.303 6 G CA -0.572 44.530 45.100 0.003 0.000 0.970 6 G HN 0.650 nan 8.290 nan 0.000 0.490 7 T N -2.625 111.926 114.554 -0.005 0.000 2.876 7 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 7 T C -0.813 173.863 174.700 -0.041 0.000 1.014 7 T CA -0.603 61.492 62.100 -0.008 0.000 0.986 7 T CB 2.032 70.895 68.868 -0.008 0.000 1.021 7 T HN 1.463 nan 8.240 nan 0.000 0.458 8 V N 3.707 123.587 119.914 -0.056 0.000 2.709 8 V HA 0.570 4.689 4.120 -0.001 0.000 0.308 8 V C -0.284 175.689 176.094 -0.202 0.000 1.062 8 V CA -1.024 61.206 62.300 -0.117 0.000 0.901 8 V CB 2.046 33.818 31.823 -0.085 0.000 1.003 8 V HN 1.102 nan 8.190 nan 0.000 0.425 9 M N 3.458 122.884 119.600 -0.290 0.000 2.209 9 M HA 0.692 5.172 4.480 -0.001 0.000 0.355 9 M C -0.147 175.823 176.300 -0.549 0.000 1.171 9 M CA 0.579 55.628 55.300 -0.418 0.000 1.069 9 M CB 1.407 33.776 32.600 -0.385 0.000 1.622 9 M HN 0.827 nan 8.290 nan 0.000 0.459 10 S N 2.328 117.526 115.700 -0.837 0.000 2.973 10 S HA 0.995 5.464 4.470 -0.001 0.000 0.317 10 S C -0.848 173.178 174.600 -0.958 0.000 1.196 10 S CA -0.225 57.511 58.200 -0.773 0.000 0.894 10 S CB 1.725 64.587 63.200 -0.563 0.000 1.292 10 S HN 0.985 nan 8.310 nan 0.000 0.614 11 G N 0.220 108.702 108.800 -0.529 0.000 2.645 11 G HA2 0.696 4.656 3.960 -0.001 0.000 0.292 11 G HA3 0.696 4.656 3.960 -0.001 0.000 0.292 11 G C -1.006 174.028 174.900 0.222 0.000 1.415 11 G CA 0.236 45.206 45.100 -0.217 0.000 0.785 11 G HN 1.585 nan 8.290 nan 0.000 0.483 12 S N -2.419 113.464 115.700 0.305 0.000 2.724 12 S HA 0.385 4.854 4.470 -0.001 0.000 0.278 12 S C 0.140 174.882 174.600 0.237 0.000 1.190 12 S CA -0.527 57.907 58.200 0.390 0.000 0.860 12 S CB 1.043 64.714 63.200 0.786 0.000 1.206 12 S HN 0.551 nan 8.310 nan 0.000 0.507 13 H N -0.248 118.948 119.070 0.210 0.000 2.545 13 H HA 0.088 4.643 4.556 -0.001 0.000 0.282 13 H C 0.403 175.637 175.328 -0.155 0.000 1.020 13 H CA 1.218 57.197 56.048 -0.114 0.000 1.243 13 H CB 0.032 29.518 29.762 -0.461 0.000 1.377 13 H HN 0.566 nan 8.280 nan 0.000 0.581 14 W N 0.457 121.952 121.300 0.325 0.000 3.177 14 W HA 0.370 5.029 4.660 -0.001 0.000 0.309 14 W C 0.572 177.275 176.519 0.306 0.000 1.224 14 W CA 0.760 58.285 57.345 0.300 0.000 1.718 14 W CB 1.137 30.745 29.460 0.246 0.000 1.078 14 W HN 0.183 nan 8.180 nan 0.000 0.618 15 G N 0.045 109.104 108.800 0.431 0.000 2.359 15 G HA2 0.042 4.002 3.960 -0.001 0.000 0.303 15 G HA3 0.042 4.002 3.960 -0.001 0.000 0.303 15 G C -1.554 173.506 174.900 0.267 0.000 1.293 15 G CA -1.191 44.081 45.100 0.287 0.000 0.964 15 G HN -0.232 nan 8.290 nan 0.000 0.531 16 V N 0.793 120.782 119.914 0.126 0.000 2.607 16 V HA 0.746 4.866 4.120 -0.001 0.000 0.289 16 V C 0.290 176.435 176.094 0.085 0.000 1.053 16 V CA 0.507 62.733 62.300 -0.122 0.000 0.996 16 V CB 0.300 31.805 31.823 -0.530 0.000 0.995 16 V HN 1.224 nan 8.190 nan 0.000 0.476 17 F N 1.064 120.938 119.950 -0.127 0.000 2.685 17 F HA 0.774 5.300 4.527 -0.001 0.000 0.315 17 F C -0.536 175.159 175.800 -0.174 0.000 1.126 17 F CA -0.903 57.034 58.000 -0.104 0.000 0.950 17 F CB 1.747 40.644 39.000 -0.172 0.000 1.360 17 F HN 0.228 nan 8.300 nan 0.000 0.469 18 T N 1.675 116.291 114.554 0.103 0.000 2.792 18 T HA 0.752 5.101 4.350 -0.001 0.000 0.280 18 T C -0.552 174.236 174.700 0.147 0.000 0.990 18 T CA -0.424 61.682 62.100 0.010 0.000 0.960 18 T CB 1.289 70.169 68.868 0.019 0.000 0.939 18 T HN 0.928 nan 8.240 nan 0.000 0.439 19 A N 2.909 125.790 122.820 0.101 0.000 2.305 19 A HA 0.675 4.994 4.320 -0.001 0.000 0.322 19 A C 0.379 178.045 177.584 0.138 0.000 1.187 19 A CA -0.614 51.548 52.037 0.208 0.000 0.825 19 A CB 0.463 19.600 19.000 0.229 0.000 1.164 19 A HN 0.696 nan 8.150 nan 0.000 0.498 20 T N 2.037 116.682 114.554 0.153 0.000 2.743 20 T HA 0.448 4.797 4.350 -0.001 0.000 0.293 20 T C -0.348 174.405 174.700 0.088 0.000 0.945 20 T CA -0.046 62.107 62.100 0.088 0.000 1.030 20 T CB 0.648 69.553 68.868 0.063 0.000 0.912 20 T HN 0.385 nan 8.240 nan 0.000 0.483 21 V N 4.677 124.628 119.914 0.062 0.000 2.378 21 V HA 0.344 4.464 4.120 -0.001 0.000 0.288 21 V C -0.116 175.996 176.094 0.029 0.000 1.016 21 V CA -0.729 61.606 62.300 0.058 0.000 0.840 21 V CB 1.502 33.362 31.823 0.062 0.000 0.994 21 V HN 0.856 nan 8.190 nan 0.000 0.431 22 E N 4.744 124.954 120.200 0.016 0.000 2.155 22 E HA 0.396 4.746 4.350 -0.001 0.000 0.264 22 E C -0.380 176.215 176.600 -0.007 0.000 0.886 22 E CA -0.607 55.792 56.400 -0.001 0.000 0.752 22 E CB 0.839 30.531 29.700 -0.014 0.000 1.133 22 E HN 0.657 nan 8.360 nan 0.000 0.414 23 N N 2.720 121.418 118.700 -0.003 0.000 2.688 23 N HA -0.237 4.502 4.740 -0.001 0.000 0.258 23 N C 0.635 176.145 175.510 0.000 0.000 1.016 23 N CA 1.154 54.201 53.050 -0.004 0.000 0.747 23 N CB -0.921 37.557 38.487 -0.013 0.000 0.895 23 N HN 1.072 nan 8.380 nan 0.000 0.543 24 G N -0.410 108.398 108.800 0.014 0.000 2.166 24 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.260 24 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.260 24 G C 0.105 175.032 174.900 0.045 0.000 0.986 24 G CA 0.998 46.114 45.100 0.028 0.000 0.683 24 G HN 0.811 nan 8.290 nan 0.000 0.527 25 R N -0.045 120.473 120.500 0.030 0.000 2.534 25 R HA 0.706 5.046 4.340 -0.001 0.000 0.301 25 R C 0.293 176.630 176.300 0.061 0.000 0.961 25 R CA -0.090 56.026 56.100 0.027 0.000 0.871 25 R CB 1.136 31.363 30.300 -0.122 0.000 1.170 25 R HN 0.664 nan 8.270 nan 0.000 0.446 26 A N 2.485 125.409 122.820 0.174 0.000 2.409 26 A HA 0.225 4.544 4.320 -0.001 0.000 0.267 26 A C 0.817 178.434 177.584 0.054 0.000 1.127 26 A CA -0.005 52.133 52.037 0.168 0.000 0.795 26 A CB 0.483 19.654 19.000 0.285 0.000 1.061 26 A HN 0.946 nan 8.150 nan 0.000 0.502 27 T N -1.041 113.526 114.554 0.022 0.000 2.985 27 T HA 0.583 4.932 4.350 -0.001 0.000 0.254 27 T C 0.330 174.999 174.700 -0.051 0.000 1.021 27 T CA 0.619 62.692 62.100 -0.044 0.000 0.957 27 T CB 0.055 68.898 68.868 -0.041 0.000 1.047 27 T HN 1.851 nan 8.240 nan 0.000 0.511 28 A N 0.751 123.575 122.820 0.008 0.000 2.594 28 A HA 0.628 4.947 4.320 -0.001 0.000 0.296 28 A C -2.033 175.683 177.584 0.220 0.000 1.056 28 A CA -0.781 51.264 52.037 0.015 0.000 0.693 28 A CB 0.850 19.863 19.000 0.022 0.000 1.278 28 A HN 0.148 nan 8.150 nan 0.000 0.408 29 F N 1.475 121.365 119.950 -0.099 0.000 2.427 29 F HA 0.619 5.145 4.527 -0.001 0.000 0.348 29 F C 0.424 176.206 175.800 -0.028 0.000 1.125 29 F CA -0.718 57.215 58.000 -0.112 0.000 0.989 29 F CB 2.027 40.756 39.000 -0.452 0.000 1.165 29 F HN 0.454 nan 8.300 nan 0.000 0.442 30 T N 5.514 120.205 114.554 0.229 0.000 2.823 30 T HA 0.453 4.802 4.350 -0.001 0.000 0.279 30 T C -2.580 172.239 174.700 0.200 0.000 0.998 30 T CA -1.663 60.532 62.100 0.159 0.000 0.994 30 T CB 1.904 70.841 68.868 0.115 0.000 0.960 30 T HN 0.102 nan 8.240 nan 0.000 0.448 31 P HA 0.037 nan 4.420 nan 0.000 0.269 31 P C -0.431 177.024 177.300 0.259 0.000 1.215 31 P CA -0.667 62.572 63.100 0.231 0.000 0.780 31 P CB 0.423 32.224 31.700 0.170 0.000 0.898 32 W N 3.532 124.876 121.300 0.075 0.000 2.257 32 W HA -0.014 4.645 4.660 -0.001 0.000 0.337 32 W C 1.391 177.927 176.519 0.029 0.000 1.321 32 W CA -0.244 57.118 57.345 0.027 0.000 1.267 32 W CB -0.097 29.373 29.460 0.017 0.000 1.187 32 W HN 0.603 nan 8.180 nan 0.000 0.565 33 E N 2.622 122.829 120.200 0.012 0.000 2.347 33 E HA -0.156 4.193 4.350 -0.001 0.000 0.196 33 E C 0.972 177.355 176.600 -0.362 0.000 1.008 33 E CA 1.136 57.456 56.400 -0.133 0.000 0.852 33 E CB -0.068 29.587 29.700 -0.076 0.000 0.783 33 E HN 0.514 nan 8.360 nan 0.000 0.505 34 K N 0.949 120.819 120.400 -0.883 0.000 2.417 34 K HA 0.046 4.365 4.320 -0.001 0.000 0.196 34 K C -0.020 176.130 176.600 -0.749 0.000 1.023 34 K CA -0.063 55.643 56.287 -0.968 0.000 1.122 34 K CB 0.295 31.906 32.500 -1.482 0.000 0.850 34 K HN 0.052 nan 8.250 nan 0.000 0.521 35 D N 1.776 121.954 120.400 -0.369 0.000 2.316 35 D HA 0.041 4.680 4.640 -0.001 0.000 0.245 35 D C -1.433 174.888 176.300 0.034 0.000 1.171 35 D CA -2.181 51.834 54.000 0.024 0.000 0.856 35 D CB 1.477 42.460 40.800 0.306 0.000 1.090 35 D HN -0.041 nan 8.370 nan 0.000 0.476 36 P HA -0.065 nan 4.420 nan 0.000 0.226 36 P C -0.234 177.128 177.300 0.104 0.000 1.153 36 P CA 0.715 63.860 63.100 0.076 0.000 0.777 36 P CB 0.258 32.020 31.700 0.105 0.000 0.794 37 H N -1.184 117.861 119.070 -0.042 0.000 2.888 37 H HA 0.287 4.842 4.556 -0.001 0.000 0.280 37 H C -2.827 172.267 175.328 -0.390 0.000 1.431 37 H CA -1.389 54.489 56.048 -0.283 0.000 1.573 37 H CB 0.528 29.924 29.762 -0.610 0.000 1.924 37 H HN -0.116 nan 8.280 nan 0.000 0.645 38 P HA 0.053 nan 4.420 nan 0.000 0.269 38 P C -0.131 177.068 177.300 -0.168 0.000 1.215 38 P CA -0.139 62.920 63.100 -0.069 0.000 0.780 38 P CB 1.328 33.043 31.700 0.026 0.000 0.898 39 S N 1.800 117.496 115.700 -0.006 0.000 2.525 39 S HA 0.345 4.814 4.470 -0.001 0.000 0.278 39 S C -1.593 173.036 174.600 0.048 0.000 1.234 39 S CA -1.576 56.649 58.200 0.042 0.000 1.058 39 S CB -0.032 63.310 63.200 0.238 0.000 0.983 39 S HN 0.197 nan 8.310 nan 0.000 0.495 40 P HA 0.015 nan 4.420 nan 0.000 0.228 40 P C 1.129 178.426 177.300 -0.005 0.000 1.151 40 P CA 0.957 64.065 63.100 0.015 0.000 0.770 40 P CB 0.068 31.796 31.700 0.046 0.000 0.786 41 M N -1.625 117.980 119.600 0.008 0.000 2.460 41 M HA -0.089 4.390 4.480 -0.001 0.000 0.263 41 M C 1.812 177.928 176.300 -0.306 0.000 1.071 41 M CA 1.145 56.372 55.300 -0.120 0.000 1.096 41 M CB -0.690 31.852 32.600 -0.096 0.000 1.408 41 M HN 0.003 nan 8.290 nan 0.000 0.463 42 L N 0.065 121.161 121.223 -0.211 0.000 2.089 42 L HA -0.272 4.068 4.340 -0.001 0.000 0.213 42 L C 2.746 179.443 176.870 -0.289 0.000 1.079 42 L CA 1.508 56.212 54.840 -0.226 0.000 0.758 42 L CB -0.781 41.239 42.059 -0.066 0.000 0.891 42 L HN 0.345 nan 8.230 nan 0.000 0.433 43 A N -0.245 122.434 122.820 -0.235 0.000 1.972 43 A HA -0.120 4.200 4.320 -0.001 0.000 0.219 43 A C 2.320 179.724 177.584 -0.299 0.000 1.169 43 A CA 1.656 53.536 52.037 -0.262 0.000 0.635 43 A CB -0.942 17.954 19.000 -0.174 0.000 0.810 43 A HN 0.486 nan 8.150 nan 0.000 0.446 44 G N -0.877 107.755 108.800 -0.280 0.000 2.464 44 G HA2 0.040 4.000 3.960 -0.001 0.000 0.217 44 G HA3 0.040 4.000 3.960 -0.001 0.000 0.217 44 G C 1.411 176.125 174.900 -0.311 0.000 1.138 44 G CA 0.975 45.923 45.100 -0.254 0.000 0.793 44 G HN 0.289 nan 8.290 nan 0.000 0.539 45 V N 0.903 120.546 119.914 -0.451 0.000 2.295 45 V HA -0.141 3.979 4.120 -0.001 0.000 0.246 45 V C 2.650 178.484 176.094 -0.433 0.000 1.049 45 V CA 1.591 63.630 62.300 -0.434 0.000 1.024 45 V CB -0.484 31.041 31.823 -0.496 0.000 0.648 45 V HN 0.364 nan 8.190 nan 0.000 0.447 46 L N 0.828 121.586 121.223 -0.776 0.000 2.017 46 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 46 L C 2.067 178.691 176.870 -0.410 0.000 1.073 46 L CA 2.461 56.690 54.840 -1.018 0.000 0.745 46 L CB -0.972 40.303 42.059 -1.308 0.000 0.894 46 L HN 0.388 nan 8.230 nan 0.000 0.432 47 D N -1.164 119.071 120.400 -0.275 0.000 2.178 47 D HA -0.195 4.444 4.640 -0.001 0.000 0.201 47 D C 2.333 178.619 176.300 -0.022 0.000 0.980 47 D CA 1.255 55.197 54.000 -0.097 0.000 0.842 47 D CB -0.024 40.708 40.800 -0.113 0.000 0.948 47 D HN 0.577 nan 8.370 nan 0.000 0.472 48 S N -0.693 114.987 115.700 -0.034 0.000 2.469 48 S HA -0.117 4.352 4.470 -0.001 0.000 0.238 48 S C 2.109 176.763 174.600 0.090 0.000 0.998 48 S CA 0.452 58.715 58.200 0.106 0.000 0.957 48 S CB -0.615 62.717 63.200 0.219 0.000 0.764 48 S HN 0.366 nan 8.310 nan 0.000 0.514 49 I N -0.554 119.950 120.570 -0.110 0.000 2.315 49 I HA -0.105 4.064 4.170 -0.001 0.000 0.248 49 I C 1.519 177.407 176.117 -0.382 0.000 1.117 49 I CA 1.295 62.385 61.300 -0.350 0.000 1.404 49 I CB -0.185 37.402 38.000 -0.689 0.000 1.071 49 I HN 0.308 nan 8.210 nan 0.000 0.419 50 Y N -0.291 120.042 120.300 0.054 0.000 2.500 50 Y HA 0.216 4.766 4.550 -0.001 0.000 0.246 50 Y C 1.621 177.577 175.900 0.094 0.000 1.146 50 Y CA -0.634 57.509 58.100 0.072 0.000 1.230 50 Y CB -0.272 38.189 38.460 0.003 0.000 1.214 50 Y HN -0.014 nan 8.280 nan 0.000 0.526 51 S N 1.056 116.878 115.700 0.204 0.000 2.587 51 S HA 0.061 4.530 4.470 -0.001 0.000 0.260 51 S C -1.583 173.122 174.600 0.175 0.000 1.353 51 S CA -0.873 57.421 58.200 0.157 0.000 0.995 51 S CB 0.955 64.226 63.200 0.117 0.000 0.912 51 S HN -0.026 nan 8.310 nan 0.000 0.568 52 P HA -0.006 nan 4.420 nan 0.000 0.221 52 P C 0.950 178.359 177.300 0.181 0.000 1.145 52 P CA 1.188 64.367 63.100 0.131 0.000 0.795 52 P CB -0.395 31.362 31.700 0.096 0.000 0.775 53 T N -4.115 110.593 114.554 0.256 0.000 3.206 53 T HA 0.195 4.544 4.350 -0.001 0.000 0.253 53 T C 0.664 175.590 174.700 0.376 0.000 1.042 53 T CA -0.470 61.861 62.100 0.385 0.000 0.931 53 T CB -0.370 68.801 68.868 0.505 0.000 1.029 53 T HN -0.131 nan 8.240 nan 0.000 0.564 54 R N 1.999 122.661 120.500 0.269 0.000 2.489 54 R HA 0.330 4.670 4.340 -0.001 0.000 0.287 54 R C -0.324 176.025 176.300 0.082 0.000 1.053 54 R CA -0.622 55.599 56.100 0.202 0.000 1.036 54 R CB -0.402 30.044 30.300 0.243 0.000 0.966 54 R HN 0.399 nan 8.270 nan 0.000 0.432 55 I N 6.193 126.694 120.570 -0.115 0.000 2.452 55 I HA 0.021 4.191 4.170 -0.001 0.000 0.287 55 I C 1.037 177.005 176.117 -0.248 0.000 1.079 55 I CA 0.094 61.187 61.300 -0.345 0.000 1.387 55 I CB 1.154 38.711 38.000 -0.738 0.000 1.404 55 I HN 0.706 nan 8.210 nan 0.000 0.522 56 K N 5.084 125.234 120.400 -0.416 0.000 2.128 56 K HA 0.094 4.414 4.320 -0.001 0.000 0.202 56 K C -0.510 175.692 176.600 -0.664 0.000 1.050 56 K CA 0.949 56.776 56.287 -0.767 0.000 0.966 56 K CB 0.251 31.787 32.500 -1.607 0.000 0.759 56 K HN 0.389 nan 8.250 nan 0.000 0.454 57 Y N -0.260 119.984 120.300 -0.092 0.000 2.634 57 Y HA 0.336 4.885 4.550 -0.001 0.000 0.340 57 Y C -2.598 173.117 175.900 -0.308 0.000 1.058 57 Y CA -3.803 54.202 58.100 -0.158 0.000 1.081 57 Y CB 0.177 38.563 38.460 -0.124 0.000 1.295 57 Y HN -0.148 nan 8.280 nan 0.000 0.487 58 P HA 0.218 nan 4.420 nan 0.000 0.271 58 P C -0.768 176.388 177.300 -0.240 0.000 1.220 58 P CA 0.243 63.038 63.100 -0.508 0.000 0.768 58 P CB 0.483 31.635 31.700 -0.914 0.000 0.848 59 M N 2.115 121.598 119.600 -0.196 0.000 2.572 59 M HA 0.485 4.964 4.480 -0.001 0.000 0.299 59 M C -0.902 175.426 176.300 0.047 0.000 1.205 59 M CA -1.055 54.213 55.300 -0.053 0.000 0.876 59 M CB 2.110 34.648 32.600 -0.104 0.000 1.728 59 M HN -0.046 nan 8.290 nan 0.000 0.458 60 V N 1.291 121.323 119.914 0.196 0.000 2.588 60 V HA 0.475 4.595 4.120 -0.001 0.000 0.304 60 V C 0.061 176.351 176.094 0.327 0.000 1.042 60 V CA -0.917 61.524 62.300 0.234 0.000 0.877 60 V CB 2.207 34.136 31.823 0.177 0.000 0.996 60 V HN 0.862 nan 8.190 nan 0.000 0.425 61 R N 2.800 123.448 120.500 0.248 0.000 2.502 61 R HA 0.090 4.430 4.340 -0.001 0.000 0.292 61 R C 1.631 177.950 176.300 0.032 0.000 0.998 61 R CA 0.114 56.174 56.100 -0.067 0.000 1.056 61 R CB 0.302 30.529 30.300 -0.120 0.000 0.939 61 R HN 0.741 nan 8.270 nan 0.000 0.411 62 R N 3.162 123.634 120.500 -0.047 0.000 2.096 62 R HA -0.241 4.098 4.340 -0.001 0.000 0.240 62 R C 0.955 177.269 176.300 0.022 0.000 1.139 62 R CA 2.450 58.550 56.100 0.001 0.000 0.952 62 R CB 0.036 30.316 30.300 -0.033 0.000 0.854 62 R HN 0.718 nan 8.270 nan 0.000 0.436 63 E N -0.437 119.770 120.200 0.011 0.000 2.153 63 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 63 E C 1.528 178.175 176.600 0.080 0.000 0.988 63 E CA 1.400 57.819 56.400 0.032 0.000 0.811 63 E CB -0.270 29.443 29.700 0.022 0.000 0.746 63 E HN 0.347 nan 8.360 nan 0.000 0.466 64 F N 0.554 120.496 119.950 -0.012 0.000 2.163 64 F HA -0.059 4.467 4.527 -0.001 0.000 0.297 64 F C 1.864 177.674 175.800 0.017 0.000 1.094 64 F CA 0.979 58.988 58.000 0.014 0.000 1.290 64 F CB -0.040 38.979 39.000 0.030 0.000 1.017 64 F HN -0.003 nan 8.300 nan 0.000 0.483 65 L N 0.031 121.324 121.223 0.117 0.000 2.017 65 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 65 L C 2.236 179.071 176.870 -0.058 0.000 1.073 65 L CA 1.964 56.823 54.840 0.032 0.000 0.745 65 L CB -0.469 41.637 42.059 0.079 0.000 0.894 65 L HN 0.235 nan 8.230 nan 0.000 0.432 66 E N -0.521 119.656 120.200 -0.038 0.000 2.072 66 E HA -0.178 4.171 4.350 -0.001 0.000 0.190 66 E C 1.497 178.051 176.600 -0.077 0.000 0.982 66 E CA 0.926 57.297 56.400 -0.047 0.000 0.803 66 E CB 0.197 29.881 29.700 -0.026 0.000 0.755 66 E HN 0.411 nan 8.360 nan 0.000 0.453 67 K N -0.338 120.002 120.400 -0.100 0.000 2.402 67 K HA 0.172 4.491 4.320 -0.001 0.000 0.204 67 K C 0.824 177.316 176.600 -0.180 0.000 1.056 67 K CA 0.386 56.609 56.287 -0.106 0.000 1.069 67 K CB 1.684 34.152 32.500 -0.054 0.000 0.888 67 K HN 0.170 nan 8.250 nan 0.000 0.546 68 G N 1.748 110.322 108.800 -0.377 0.000 2.651 68 G HA2 -0.429 3.530 3.960 -0.001 0.000 0.315 68 G HA3 -0.429 3.530 3.960 -0.001 0.000 0.315 68 G C 1.039 175.775 174.900 -0.274 0.000 1.258 68 G CA 1.213 45.959 45.100 -0.591 0.000 1.002 68 G HN 0.160 nan 8.290 nan 0.000 0.551 69 V N -1.364 118.483 119.914 -0.112 0.000 2.720 69 V HA -0.033 4.086 4.120 -0.001 0.000 0.256 69 V C 1.875 177.989 176.094 0.033 0.000 1.082 69 V CA 2.697 65.016 62.300 0.031 0.000 1.101 69 V CB -0.439 31.419 31.823 0.058 0.000 0.693 69 V HN 0.580 nan 8.190 nan 0.000 0.479 70 N N 1.273 119.970 118.700 -0.005 0.000 2.314 70 N HA 0.378 5.118 4.740 -0.001 0.000 0.200 70 N C 0.704 176.222 175.510 0.013 0.000 1.135 70 N CA 0.724 53.778 53.050 0.007 0.000 0.835 70 N CB 0.479 38.962 38.487 -0.006 0.000 0.989 70 N HN 0.698 nan 8.380 nan 0.000 0.478 71 A N 0.650 123.486 122.820 0.027 0.000 2.406 71 A HA 0.059 4.378 4.320 -0.001 0.000 0.243 71 A C 0.246 177.864 177.584 0.056 0.000 1.082 71 A CA -0.262 51.801 52.037 0.045 0.000 0.786 71 A CB 0.250 19.310 19.000 0.101 0.000 1.029 71 A HN 0.120 nan 8.150 nan 0.000 0.495 72 D N 0.013 120.439 120.400 0.043 0.000 2.338 72 D HA 0.159 4.798 4.640 -0.001 0.000 0.255 72 D C 0.900 177.234 176.300 0.057 0.000 1.237 72 D CA 0.145 54.169 54.000 0.040 0.000 0.883 72 D CB 0.339 41.152 40.800 0.022 0.000 1.087 72 D HN 0.441 nan 8.370 nan 0.000 0.485 73 R N 1.768 122.311 120.500 0.072 0.000 2.313 73 R HA 0.000 4.339 4.340 -0.001 0.000 0.199 73 R C 1.851 178.206 176.300 0.092 0.000 0.958 73 R CA 0.477 56.635 56.100 0.097 0.000 1.047 73 R CB 0.144 30.510 30.300 0.111 0.000 0.955 73 R HN 0.435 nan 8.270 nan 0.000 0.481 74 S N -0.274 115.465 115.700 0.065 0.000 2.496 74 S HA -0.079 4.390 4.470 -0.001 0.000 0.224 74 S C 1.768 176.392 174.600 0.041 0.000 0.996 74 S CA 0.988 59.225 58.200 0.063 0.000 0.927 74 S CB 0.001 63.230 63.200 0.047 0.000 0.774 74 S HN 0.303 nan 8.310 nan 0.000 0.524 75 T N -0.526 114.035 114.554 0.012 0.000 3.144 75 T HA 0.301 4.650 4.350 -0.001 0.000 0.249 75 T C 0.616 175.268 174.700 -0.081 0.000 1.089 75 T CA -0.582 61.496 62.100 -0.037 0.000 0.989 75 T CB -0.414 68.420 68.868 -0.057 0.000 0.992 75 T HN 0.259 nan 8.240 nan 0.000 0.540 76 R N 0.941 121.424 120.500 -0.028 0.000 2.585 76 R HA 0.364 4.704 4.340 -0.001 0.000 0.275 76 R C 1.503 177.639 176.300 -0.274 0.000 1.018 76 R CA 1.146 57.201 56.100 -0.074 0.000 1.072 76 R CB -0.007 30.362 30.300 0.116 0.000 0.953 76 R HN 0.542 nan 8.270 nan 0.000 0.419 77 G N 2.139 110.592 108.800 -0.578 0.000 2.194 77 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.236 77 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.236 77 G C 0.591 175.203 174.900 -0.481 0.000 0.987 77 G CA 0.306 44.822 45.100 -0.973 0.000 0.635 77 G HN 0.730 nan 8.290 nan 0.000 0.520 78 N N 1.221 119.718 118.700 -0.338 0.000 2.461 78 N HA 0.345 5.085 4.740 -0.001 0.000 0.188 78 N C 1.755 177.120 175.510 -0.241 0.000 1.134 78 N CA 1.301 54.204 53.050 -0.245 0.000 0.878 78 N CB -0.388 37.989 38.487 -0.183 0.000 0.972 78 N HN 1.752 nan 8.380 nan 0.000 0.456 79 G N 0.063 108.689 108.800 -0.289 0.000 2.159 79 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.256 79 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.256 79 G C -0.396 174.376 174.900 -0.212 0.000 0.977 79 G CA 0.253 45.242 45.100 -0.185 0.000 0.652 79 G HN 0.608 nan 8.290 nan 0.000 0.531 80 D N 0.538 120.730 120.400 -0.345 0.000 2.508 80 D HA 0.510 5.150 4.640 -0.001 0.000 0.224 80 D C 0.099 176.211 176.300 -0.314 0.000 1.171 80 D CA -0.255 53.600 54.000 -0.241 0.000 1.006 80 D CB -0.556 40.130 40.800 -0.190 0.000 1.073 80 D HN 0.130 nan 8.370 nan 0.000 0.513 81 F N 1.400 121.312 119.950 -0.064 0.000 2.523 81 F HA 0.524 5.050 4.527 -0.001 0.000 0.329 81 F C 0.271 176.061 175.800 -0.016 0.000 1.061 81 F CA -1.013 56.972 58.000 -0.025 0.000 0.967 81 F CB 1.741 40.736 39.000 -0.009 0.000 1.218 81 F HN -0.128 nan 8.300 nan 0.000 0.480 82 V N 2.312 122.365 119.914 0.231 0.000 2.483 82 V HA 0.396 4.515 4.120 -0.001 0.000 0.297 82 V C -0.262 175.886 176.094 0.089 0.000 1.027 82 V CA -1.056 61.312 62.300 0.113 0.000 0.855 82 V CB 1.654 33.521 31.823 0.073 0.000 0.995 82 V HN 0.657 nan 8.190 nan 0.000 0.424 83 R N 4.227 124.749 120.500 0.036 0.000 2.442 83 R HA 0.572 4.911 4.340 -0.001 0.000 0.291 83 R C -0.634 175.634 176.300 -0.053 0.000 1.069 83 R CA -0.094 55.995 56.100 -0.018 0.000 1.022 83 R CB 1.077 31.325 30.300 -0.086 0.000 0.976 83 R HN 0.658 nan 8.270 nan 0.000 0.443 84 V N 0.845 120.713 119.914 -0.076 0.000 3.074 84 V HA 0.580 4.700 4.120 -0.001 0.000 0.314 84 V C -0.112 175.914 176.094 -0.113 0.000 1.117 84 V CA -0.931 61.324 62.300 -0.075 0.000 1.014 84 V CB 1.735 33.529 31.823 -0.047 0.000 1.057 84 V HN 0.923 nan 8.190 nan 0.000 0.438 85 S N 0.422 116.087 115.700 -0.058 0.000 2.593 85 S HA 0.219 4.689 4.470 -0.001 0.000 0.269 85 S C 0.451 175.047 174.600 -0.006 0.000 1.334 85 S CA -0.004 58.186 58.200 -0.017 0.000 1.015 85 S CB 0.352 63.576 63.200 0.040 0.000 0.912 85 S HN 0.899 nan 8.310 nan 0.000 0.541 86 W N 0.785 122.092 121.300 0.013 0.000 2.338 86 W HA -0.110 4.549 4.660 -0.001 0.000 0.304 86 W C 1.990 178.511 176.519 0.003 0.000 1.212 86 W CA 1.357 58.704 57.345 0.003 0.000 1.264 86 W CB -0.268 29.192 29.460 0.001 0.000 1.142 86 W HN 0.737 nan 8.180 nan 0.000 0.512 87 D N -0.660 119.889 120.400 0.249 0.000 2.117 87 D HA -0.240 4.399 4.640 -0.001 0.000 0.197 87 D C 1.909 178.277 176.300 0.113 0.000 0.987 87 D CA 1.501 55.594 54.000 0.155 0.000 0.829 87 D CB -0.618 40.246 40.800 0.106 0.000 0.961 87 D HN 0.346 nan 8.370 nan 0.000 0.460 88 Q N 0.284 120.134 119.800 0.084 0.000 2.119 88 Q HA -0.101 4.239 4.340 -0.001 0.000 0.201 88 Q C 2.028 178.064 176.000 0.059 0.000 0.972 88 Q CA 1.317 57.154 55.803 0.058 0.000 0.847 88 Q CB 0.055 28.813 28.738 0.034 0.000 0.903 88 Q HN 0.182 nan 8.270 nan 0.000 0.433 89 A N 0.602 123.448 122.820 0.042 0.000 1.873 89 A HA -0.130 4.189 4.320 -0.001 0.000 0.215 89 A C 2.015 179.653 177.584 0.089 0.000 1.186 89 A CA 1.017 53.066 52.037 0.019 0.000 0.616 89 A CB -0.684 18.240 19.000 -0.126 0.000 0.823 89 A HN 0.421 nan 8.150 nan 0.000 0.442 90 L N -0.446 120.873 121.223 0.159 0.000 2.046 90 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 90 L C 2.133 179.076 176.870 0.122 0.000 1.077 90 L CA 1.434 56.373 54.840 0.166 0.000 0.747 90 L CB -0.678 41.495 42.059 0.189 0.000 0.896 90 L HN 0.295 nan 8.230 nan 0.000 0.432 91 D N -0.044 120.418 120.400 0.103 0.000 2.104 91 D HA -0.196 4.444 4.640 -0.001 0.000 0.194 91 D C 2.037 178.393 176.300 0.094 0.000 0.994 91 D CA 1.109 55.160 54.000 0.086 0.000 0.830 91 D CB -0.176 40.666 40.800 0.071 0.000 0.959 91 D HN 0.101 nan 8.370 nan 0.000 0.452 92 L N 0.432 121.715 121.223 0.101 0.000 2.017 92 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 92 L C 2.244 179.199 176.870 0.142 0.000 1.073 92 L CA 1.304 56.217 54.840 0.122 0.000 0.745 92 L CB -0.500 41.640 42.059 0.136 0.000 0.894 92 L HN -0.102 nan 8.230 nan 0.000 0.432 93 V N 0.018 120.012 119.914 0.132 0.000 2.295 93 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 93 V C 2.791 178.989 176.094 0.174 0.000 1.049 93 V CA 1.681 64.072 62.300 0.151 0.000 1.024 93 V CB -1.390 30.534 31.823 0.169 0.000 0.648 93 V HN 0.601 nan 8.190 nan 0.000 0.447 94 A N -0.061 122.849 122.820 0.151 0.000 1.940 94 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 94 A C 2.395 180.051 177.584 0.120 0.000 1.176 94 A CA 2.153 54.269 52.037 0.132 0.000 0.631 94 A CB -0.734 18.325 19.000 0.099 0.000 0.814 94 A HN 0.591 nan 8.150 nan 0.000 0.446 95 A N -0.730 122.158 122.820 0.113 0.000 1.930 95 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 95 A C 1.969 179.625 177.584 0.120 0.000 1.175 95 A CA 1.565 53.663 52.037 0.101 0.000 0.627 95 A CB -0.310 18.742 19.000 0.086 0.000 0.815 95 A HN 0.451 nan 8.150 nan 0.000 0.443 96 E N -0.179 120.113 120.200 0.152 0.000 2.112 96 E HA -0.065 4.284 4.350 -0.001 0.000 0.190 96 E C 2.222 178.929 176.600 0.179 0.000 0.979 96 E CA 1.039 57.547 56.400 0.180 0.000 0.814 96 E CB -0.484 29.348 29.700 0.220 0.000 0.762 96 E HN 0.368 nan 8.360 nan 0.000 0.460 97 V N 1.783 121.807 119.914 0.183 0.000 2.287 97 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 97 V C 2.542 178.724 176.094 0.145 0.000 1.053 97 V CA 2.187 64.597 62.300 0.184 0.000 1.027 97 V CB -0.448 31.490 31.823 0.192 0.000 0.646 97 V HN 0.192 nan 8.190 nan 0.000 0.447 98 K N 0.619 121.090 120.400 0.119 0.000 2.032 98 K HA -0.225 4.094 4.320 -0.001 0.000 0.209 98 K C 2.319 178.969 176.600 0.083 0.000 1.048 98 K CA 1.934 58.275 56.287 0.091 0.000 0.927 98 K CB -0.371 32.174 32.500 0.075 0.000 0.712 98 K HN 0.344 nan 8.250 nan 0.000 0.441 99 R N 0.017 120.571 120.500 0.090 0.000 2.073 99 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 99 R C 1.912 178.263 176.300 0.085 0.000 1.134 99 R CA 1.746 57.889 56.100 0.071 0.000 0.952 99 R CB -0.261 30.090 30.300 0.085 0.000 0.850 99 R HN 0.137 nan 8.270 nan 0.000 0.433 100 V N 1.555 121.569 119.914 0.166 0.000 2.358 100 V HA -0.172 3.948 4.120 -0.001 0.000 0.246 100 V C 2.285 178.507 176.094 0.213 0.000 1.047 100 V CA 1.765 64.228 62.300 0.271 0.000 1.035 100 V CB -0.416 31.581 31.823 0.289 0.000 0.658 100 V HN 0.365 nan 8.190 nan 0.000 0.452 101 E N 0.188 120.478 120.200 0.150 0.000 2.077 101 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 101 E C 2.205 178.849 176.600 0.073 0.000 0.989 101 E CA 1.380 57.851 56.400 0.118 0.000 0.800 101 E CB -0.115 29.646 29.700 0.101 0.000 0.746 101 E HN 0.699 nan 8.360 nan 0.000 0.452 102 E N -0.130 120.095 120.200 0.041 0.000 2.072 102 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 102 E C 2.007 178.573 176.600 -0.056 0.000 0.982 102 E CA 1.383 57.783 56.400 0.001 0.000 0.803 102 E CB 0.104 29.802 29.700 -0.003 0.000 0.755 102 E HN 0.140 nan 8.360 nan 0.000 0.453 103 T N -0.457 114.013 114.554 -0.140 0.000 2.896 103 T HA -0.066 4.283 4.350 -0.001 0.000 0.263 103 T C 0.952 175.407 174.700 -0.408 0.000 1.050 103 T CA 0.980 62.864 62.100 -0.360 0.000 1.140 103 T CB -0.077 68.388 68.868 -0.672 0.000 0.877 103 T HN 0.182 nan 8.240 nan 0.000 0.457 104 Y N 0.646 120.972 120.300 0.044 0.000 2.444 104 Y HA 0.483 5.032 4.550 -0.001 0.000 0.252 104 Y C 1.548 177.474 175.900 0.043 0.000 1.091 104 Y CA -0.216 57.910 58.100 0.043 0.000 1.276 104 Y CB 0.187 38.676 38.460 0.049 0.000 1.170 104 Y HN 0.373 nan 8.280 nan 0.000 0.517 105 G N 0.972 109.873 108.800 0.168 0.000 2.685 105 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.387 105 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.387 105 G C -2.100 172.875 174.900 0.126 0.000 1.324 105 G CA -0.454 44.716 45.100 0.117 0.000 0.878 105 G HN -0.025 nan 8.290 nan 0.000 0.527 106 P HA 0.017 nan 4.420 nan 0.000 0.221 106 P C 1.236 178.588 177.300 0.086 0.000 1.150 106 P CA 1.718 64.865 63.100 0.080 0.000 0.800 106 P CB -0.037 31.680 31.700 0.029 0.000 0.787 107 E N -0.057 120.192 120.200 0.081 0.000 2.333 107 E HA -0.049 4.301 4.350 -0.001 0.000 0.198 107 E C 2.191 178.846 176.600 0.092 0.000 1.007 107 E CA 1.273 57.723 56.400 0.083 0.000 0.845 107 E CB -1.259 28.486 29.700 0.075 0.000 0.766 107 E HN 0.311 nan 8.360 nan 0.000 0.507 108 G N 0.186 109.054 108.800 0.113 0.000 2.712 108 G HA2 0.014 3.974 3.960 -0.001 0.000 0.212 108 G HA3 0.014 3.974 3.960 -0.001 0.000 0.212 108 G C 0.252 175.210 174.900 0.097 0.000 1.142 108 G CA -0.091 45.053 45.100 0.073 0.000 0.789 108 G HN 0.081 nan 8.290 nan 0.000 0.535 109 V N 1.052 121.056 119.914 0.150 0.000 2.370 109 V HA 0.447 4.566 4.120 -0.001 0.000 0.283 109 V C -1.037 175.196 176.094 0.232 0.000 1.023 109 V CA -1.095 61.316 62.300 0.184 0.000 0.857 109 V CB 1.420 33.356 31.823 0.189 0.000 0.985 109 V HN 0.167 nan 8.190 nan 0.000 0.443 110 F N 3.898 123.888 119.950 0.067 0.000 2.405 110 F HA 0.698 5.224 4.527 -0.001 0.000 0.355 110 F C 0.942 176.756 175.800 0.024 0.000 1.121 110 F CA -0.708 57.318 58.000 0.043 0.000 1.112 110 F CB 1.511 40.504 39.000 -0.011 0.000 1.126 110 F HN 0.511 nan 8.300 nan 0.000 0.481 111 G N 3.434 111.895 108.800 -0.565 0.000 3.651 111 G HA2 0.182 4.142 3.960 -0.001 0.000 0.279 111 G HA3 0.182 4.142 3.960 -0.001 0.000 0.279 111 G C 1.221 175.608 174.900 -0.854 0.000 1.024 111 G CA 0.236 44.954 45.100 -0.636 0.000 0.813 111 G HN 0.965 nan 8.290 nan 0.000 0.518 112 G N 0.547 108.492 108.800 -1.426 0.000 2.440 112 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.218 112 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.218 112 G C 1.108 175.636 174.900 -0.620 0.000 1.154 112 G CA 1.321 45.913 45.100 -0.846 0.000 0.767 112 G HN 1.034 nan 8.290 nan 0.000 0.552 113 S N -1.377 113.730 115.700 -0.989 0.000 3.477 113 S HA -0.271 4.198 4.470 -0.001 0.000 0.371 113 S C 0.241 174.647 174.600 -0.324 0.000 0.965 113 S CA 0.259 57.797 58.200 -1.103 0.000 1.239 113 S CB -1.781 61.023 63.200 -0.660 0.000 0.918 113 S HN 0.609 nan 8.310 nan 0.000 0.498 114 Y N 0.844 121.145 120.300 0.002 0.000 2.717 114 Y HA 0.406 4.955 4.550 -0.001 0.000 0.330 114 Y C 0.922 177.140 175.900 0.530 0.000 1.217 114 Y CA 1.746 60.049 58.100 0.339 0.000 1.506 114 Y CB 0.214 38.957 38.460 0.472 0.000 1.268 114 Y HN 0.624 nan 8.280 nan 0.000 0.561 115 G N 4.051 112.733 108.800 -0.197 0.000 2.411 115 G HA2 0.033 3.992 3.960 -0.001 0.000 0.295 115 G HA3 0.033 3.992 3.960 -0.001 0.000 0.295 115 G C -1.127 173.852 174.900 0.132 0.000 1.542 115 G CA -0.949 44.228 45.100 0.128 0.000 0.814 115 G HN 0.693 nan 8.290 nan 0.000 0.557 116 W N 1.846 123.238 121.300 0.153 0.000 2.800 116 W HA 0.138 4.797 4.660 -0.001 0.000 0.249 116 W C 2.158 178.787 176.519 0.183 0.000 1.294 116 W CA 0.933 58.423 57.345 0.240 0.000 1.402 116 W CB 0.121 29.716 29.460 0.225 0.000 1.126 116 W HN 1.066 nan 8.180 nan 0.000 0.652 117 K N -0.858 119.750 120.400 0.346 0.000 2.178 117 K HA -0.330 3.989 4.320 -0.001 0.000 0.116 117 K C 0.125 176.920 176.600 0.326 0.000 1.372 117 K CA 1.377 57.819 56.287 0.259 0.000 0.594 117 K CB -1.880 30.681 32.500 0.102 0.000 0.508 117 K HN -0.083 nan 8.250 nan 0.000 0.990 118 S N 1.412 117.166 115.700 0.091 0.000 2.569 118 S HA 0.578 5.048 4.470 -0.001 0.000 0.280 118 S C -2.763 171.588 174.600 -0.415 0.000 1.111 118 S CA -1.088 57.017 58.200 -0.159 0.000 0.887 118 S CB 2.236 65.416 63.200 -0.034 0.000 1.095 118 S HN 0.517 nan 8.310 nan 0.000 0.476 119 P HA 0.525 nan 4.420 nan 0.000 0.273 119 P C -0.249 176.899 177.300 -0.254 0.000 1.250 119 P CA 0.057 62.867 63.100 -0.483 0.000 0.793 119 P CB 0.218 31.656 31.700 -0.438 0.000 1.011 120 G N 0.215 108.898 108.800 -0.196 0.000 2.760 120 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.540 120 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.540 120 G C 0.271 175.107 174.900 -0.108 0.000 1.476 120 G CA -0.694 44.353 45.100 -0.089 0.000 0.949 120 G HN 0.279 nan 8.290 nan 0.000 0.633 121 R N 0.964 121.405 120.500 -0.097 0.000 2.153 121 R HA 0.081 4.420 4.340 -0.001 0.000 0.218 121 R C 2.394 178.550 176.300 -0.239 0.000 1.072 121 R CA 1.248 57.206 56.100 -0.237 0.000 0.990 121 R CB -0.383 29.708 30.300 -0.347 0.000 0.889 121 R HN 0.596 nan 8.270 nan 0.000 0.452 122 L N -0.049 121.138 121.223 -0.061 0.000 2.189 122 L HA 0.091 4.430 4.340 -0.001 0.000 0.199 122 L C 0.832 177.544 176.870 -0.263 0.000 1.074 122 L CA 1.381 56.133 54.840 -0.146 0.000 0.783 122 L CB -0.305 41.628 42.059 -0.209 0.000 0.955 122 L HN 0.079 nan 8.230 nan 0.000 0.460 123 H N 1.622 120.677 119.070 -0.026 0.000 2.966 123 H HA 0.200 4.755 4.556 -0.001 0.000 0.217 123 H C -0.324 174.997 175.328 -0.011 0.000 1.906 123 H CA -0.099 55.953 56.048 0.007 0.000 1.351 123 H CB -0.892 28.870 29.762 0.000 0.000 1.722 123 H HN 0.260 nan 8.280 nan 0.000 0.562 124 N N 2.000 120.718 118.700 0.030 0.000 2.801 124 N HA -0.014 4.725 4.740 -0.001 0.000 0.235 124 N C 1.385 176.914 175.510 0.032 0.000 1.069 124 N CA -0.405 52.633 53.050 -0.020 0.000 0.946 124 N CB -0.104 38.321 38.487 -0.103 0.000 1.212 124 N HN 0.434 nan 8.380 nan 0.000 0.509 125 C N 0.948 120.310 119.300 0.103 0.000 2.403 125 C HA -0.135 4.324 4.460 -0.001 0.000 0.277 125 C C 2.370 177.408 174.990 0.079 0.000 1.248 125 C CA 1.448 60.578 59.018 0.185 0.000 1.762 125 C CB -1.647 26.233 27.740 0.235 0.000 2.014 125 C HN 0.689 nan 8.230 nan 0.000 0.486 126 T N -2.064 112.487 114.554 -0.005 0.000 2.985 126 T HA -0.069 4.280 4.350 -0.001 0.000 0.266 126 T C 1.562 176.147 174.700 -0.192 0.000 1.076 126 T CA 1.969 64.004 62.100 -0.107 0.000 1.135 126 T CB -0.967 67.851 68.868 -0.083 0.000 0.890 126 T HN 0.575 nan 8.240 nan 0.000 0.480 127 T N 2.197 116.661 114.554 -0.151 0.000 2.857 127 T HA 0.227 4.576 4.350 -0.001 0.000 0.266 127 T C 1.840 176.390 174.700 -0.251 0.000 1.048 127 T CA 0.740 62.725 62.100 -0.191 0.000 1.139 127 T CB -0.408 68.363 68.868 -0.162 0.000 0.874 127 T HN 0.296 nan 8.240 nan 0.000 0.455 128 L N 0.676 121.779 121.223 -0.200 0.000 2.083 128 L HA -0.043 4.296 4.340 -0.001 0.000 0.209 128 L C 2.403 178.899 176.870 -0.623 0.000 1.083 128 L CA 0.728 55.441 54.840 -0.213 0.000 0.752 128 L CB -0.594 41.543 42.059 0.131 0.000 0.899 128 L HN 0.235 nan 8.230 nan 0.000 0.433 129 L N 0.030 120.753 121.223 -0.833 0.000 2.017 129 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 129 L C 2.705 179.061 176.870 -0.856 0.000 1.073 129 L CA 1.734 55.831 54.840 -1.238 0.000 0.745 129 L CB -0.436 41.165 42.059 -0.764 0.000 0.894 129 L HN 0.078 nan 8.230 nan 0.000 0.432 130 R N -0.849 119.258 120.500 -0.655 0.000 2.115 130 R HA -0.114 4.225 4.340 -0.001 0.000 0.230 130 R C 2.445 178.515 176.300 -0.383 0.000 1.111 130 R CA 1.221 56.922 56.100 -0.666 0.000 0.976 130 R CB -0.397 29.579 30.300 -0.539 0.000 0.870 130 R HN 0.404 nan 8.270 nan 0.000 0.445 131 R N 0.678 120.993 120.500 -0.307 0.000 2.081 131 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 131 R C 2.301 178.568 176.300 -0.055 0.000 1.131 131 R CA 1.342 57.332 56.100 -0.184 0.000 0.960 131 R CB -0.095 30.025 30.300 -0.300 0.000 0.856 131 R HN 0.136 nan 8.270 nan 0.000 0.436 132 M N 0.695 120.246 119.600 -0.081 0.000 2.099 132 M HA -0.136 4.344 4.480 -0.001 0.000 0.262 132 M C 1.954 178.193 176.300 -0.102 0.000 1.067 132 M CA 1.636 56.901 55.300 -0.058 0.000 1.124 132 M CB -0.376 32.037 32.600 -0.312 0.000 1.353 132 M HN 0.276 nan 8.290 nan 0.000 0.410 133 L N -0.449 120.636 121.223 -0.230 0.000 2.131 133 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 133 L C 2.248 179.157 176.870 0.065 0.000 1.092 133 L CA 1.350 56.121 54.840 -0.116 0.000 0.759 133 L CB -0.926 40.960 42.059 -0.287 0.000 0.903 133 L HN 0.322 nan 8.230 nan 0.000 0.435 134 T N 0.219 114.821 114.554 0.081 0.000 2.746 134 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 134 T C 1.925 176.674 174.700 0.082 0.000 1.039 134 T CA 1.140 63.326 62.100 0.144 0.000 1.142 134 T CB -0.172 68.766 68.868 0.116 0.000 0.866 134 T HN 0.217 nan 8.240 nan 0.000 0.444 135 L N 0.657 121.918 121.223 0.064 0.000 2.201 135 L HA 0.022 4.361 4.340 -0.001 0.000 0.212 135 L C 2.786 179.691 176.870 0.060 0.000 1.105 135 L CA 0.794 55.673 54.840 0.065 0.000 0.775 135 L CB -0.490 41.622 42.059 0.089 0.000 0.913 135 L HN 0.223 nan 8.230 nan 0.000 0.440 136 A N -0.755 122.100 122.820 0.059 0.000 2.167 136 A HA 0.266 4.585 4.320 -0.001 0.000 0.214 136 A C 1.812 179.439 177.584 0.071 0.000 1.151 136 A CA 1.112 53.187 52.037 0.064 0.000 0.735 136 A CB -0.146 18.894 19.000 0.067 0.000 0.802 136 A HN 0.500 nan 8.150 nan 0.000 0.467 137 G N -3.440 105.404 108.800 0.073 0.000 2.485 137 G HA2 0.437 4.396 3.960 -0.001 0.000 0.181 137 G HA3 0.437 4.396 3.960 -0.001 0.000 0.181 137 G C 0.968 175.906 174.900 0.064 0.000 0.999 137 G CA 0.394 45.532 45.100 0.064 0.000 0.721 137 G HN 2.236 nan 8.290 nan 0.000 0.486 138 G N -1.030 107.835 108.800 0.108 0.000 2.381 138 G HA2 0.629 4.588 3.960 -0.001 0.000 0.672 138 G HA3 0.629 4.588 3.960 -0.001 0.000 0.672 138 G C -0.734 174.276 174.900 0.183 0.000 1.324 138 G CA 0.070 45.219 45.100 0.082 0.000 0.975 138 G HN 2.013 nan 8.290 nan 0.000 0.593 139 Y N -3.388 116.902 120.300 -0.017 0.000 2.713 139 Y HA 0.726 5.275 4.550 -0.001 0.000 0.335 139 Y C -0.484 175.407 175.900 -0.015 0.000 1.222 139 Y CA -1.498 56.589 58.100 -0.021 0.000 1.061 139 Y CB 0.659 39.067 38.460 -0.086 0.000 1.314 139 Y HN 0.852 nan 8.280 nan 0.000 0.453 140 V N 2.646 122.640 119.914 0.133 0.000 2.509 140 V HA 0.371 4.490 4.120 -0.001 0.000 0.284 140 V C -0.345 175.818 176.094 0.115 0.000 1.047 140 V CA -0.312 62.058 62.300 0.117 0.000 0.952 140 V CB 1.083 33.082 31.823 0.293 0.000 0.988 140 V HN 0.793 nan 8.190 nan 0.000 0.469 141 N N 1.962 120.698 118.700 0.061 0.000 2.531 141 N HA 0.677 5.417 4.740 -0.001 0.000 0.290 141 N C -0.173 175.389 175.510 0.086 0.000 1.257 141 N CA -0.085 52.983 53.050 0.030 0.000 0.863 141 N CB 2.178 40.707 38.487 0.071 0.000 1.320 141 N HN 0.773 nan 8.380 nan 0.000 0.538 142 G N -1.035 107.793 108.800 0.047 0.000 2.417 142 G HA2 0.712 4.672 3.960 -0.001 0.000 0.334 142 G HA3 0.712 4.672 3.960 -0.001 0.000 0.334 142 G C -1.326 173.608 174.900 0.057 0.000 1.150 142 G CA -0.452 44.725 45.100 0.128 0.000 0.923 142 G HN 0.603 nan 8.290 nan 0.000 0.485 143 A N 0.090 122.912 122.820 0.004 0.000 2.350 143 A HA 0.981 5.300 4.320 -0.001 0.000 0.324 143 A C 0.705 178.273 177.584 -0.027 0.000 1.118 143 A CA 0.444 52.473 52.037 -0.013 0.000 0.783 143 A CB 1.009 19.982 19.000 -0.044 0.000 1.236 143 A HN 2.641 nan 8.150 nan 0.000 0.457 144 G N 1.474 110.286 108.800 0.020 0.000 2.632 144 G HA2 0.274 4.233 3.960 -0.001 0.000 0.224 144 G HA3 0.274 4.233 3.960 -0.001 0.000 0.224 144 G C -0.614 174.306 174.900 0.034 0.000 1.341 144 G CA 0.708 45.816 45.100 0.014 0.000 0.880 144 G HN 2.131 nan 8.290 nan 0.000 0.566 145 D N -3.551 116.842 120.400 -0.011 0.000 2.677 145 D HA 0.539 5.179 4.640 -0.001 0.000 0.298 145 D C 0.090 176.298 176.300 -0.152 0.000 1.250 145 D CA -0.750 53.277 54.000 0.045 0.000 0.888 145 D CB 0.133 41.100 40.800 0.278 0.000 1.397 145 D HN 0.369 nan 8.370 nan 0.000 0.461 146 Y N -0.355 119.824 120.300 -0.203 0.000 2.511 146 Y HA 0.188 4.737 4.550 -0.001 0.000 0.279 146 Y C 2.064 178.000 175.900 0.060 0.000 1.157 146 Y CA 0.496 58.521 58.100 -0.126 0.000 1.300 146 Y CB 0.366 38.688 38.460 -0.230 0.000 1.052 146 Y HN 0.296 nan 8.280 nan 0.000 0.529 147 S N -1.087 114.746 115.700 0.221 0.000 2.387 147 S HA -0.062 4.408 4.470 -0.001 0.000 0.221 147 S C 1.461 176.011 174.600 -0.082 0.000 1.041 147 S CA 1.512 59.827 58.200 0.192 0.000 0.959 147 S CB -0.185 63.115 63.200 0.167 0.000 0.843 147 S HN 0.483 nan 8.310 nan 0.000 0.488 148 T N -1.117 113.278 114.554 -0.266 0.000 3.487 148 T HA 0.417 4.766 4.350 -0.001 0.000 0.287 148 T C 1.347 175.904 174.700 -0.238 0.000 1.004 148 T CA 0.182 62.014 62.100 -0.447 0.000 0.977 148 T CB 0.468 68.786 68.868 -0.917 0.000 1.180 148 T HN 0.195 nan 8.240 nan 0.000 0.490 149 G N 1.761 110.487 108.800 -0.124 0.000 2.505 149 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.220 149 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.220 149 G C 1.513 176.387 174.900 -0.044 0.000 1.145 149 G CA 0.984 46.032 45.100 -0.086 0.000 0.761 149 G HN 0.781 nan 8.290 nan 0.000 0.571 150 A N 0.731 123.533 122.820 -0.031 0.000 1.871 150 A HA 0.541 4.860 4.320 -0.001 0.000 0.211 150 A C 2.812 180.376 177.584 -0.034 0.000 1.207 150 A CA 1.745 53.785 52.037 0.005 0.000 0.620 150 A CB -0.817 18.216 19.000 0.056 0.000 0.860 150 A HN 0.811 nan 8.150 nan 0.000 0.450 151 A N 0.675 123.449 122.820 -0.078 0.000 1.940 151 A HA -0.254 4.066 4.320 -0.001 0.000 0.219 151 A C 2.189 179.648 177.584 -0.209 0.000 1.176 151 A CA 1.900 53.850 52.037 -0.145 0.000 0.631 151 A CB -0.781 18.032 19.000 -0.313 0.000 0.814 151 A HN 0.777 nan 8.150 nan 0.000 0.446 152 Q N -0.683 118.965 119.800 -0.254 0.000 2.436 152 Q HA -0.006 4.333 4.340 -0.001 0.000 0.209 152 Q C 1.335 177.244 176.000 -0.151 0.000 0.965 152 Q CA 1.572 57.228 55.803 -0.244 0.000 0.910 152 Q CB -0.259 28.320 28.738 -0.266 0.000 0.980 152 Q HN 0.371 nan 8.270 nan 0.000 0.491 153 V N 0.149 120.000 119.914 -0.104 0.000 2.795 153 V HA -0.079 4.040 4.120 -0.001 0.000 0.243 153 V C 1.890 177.937 176.094 -0.079 0.000 1.069 153 V CA 0.612 62.861 62.300 -0.084 0.000 1.089 153 V CB 0.027 31.833 31.823 -0.029 0.000 0.756 153 V HN 0.292 nan 8.190 nan 0.000 0.471 154 I N -0.382 120.136 120.570 -0.088 0.000 2.500 154 I HA -0.063 4.106 4.170 -0.001 0.000 0.252 154 I C 2.200 178.186 176.117 -0.218 0.000 1.142 154 I CA 1.457 62.669 61.300 -0.147 0.000 1.451 154 I CB -0.170 37.719 38.000 -0.184 0.000 1.093 154 I HN 0.101 nan 8.210 nan 0.000 0.430 155 M N 0.713 120.207 119.600 -0.177 0.000 2.108 155 M HA -0.092 4.388 4.480 -0.001 0.000 0.261 155 M C -0.223 175.980 176.300 -0.162 0.000 1.066 155 M CA 1.878 57.085 55.300 -0.155 0.000 1.107 155 M CB -2.460 30.078 32.600 -0.102 0.000 1.356 155 M HN 0.108 nan 8.290 nan 0.000 0.406 156 P HA -0.133 nan 4.420 nan 0.000 0.218 156 P C 1.331 178.459 177.300 -0.286 0.000 1.148 156 P CA 1.274 64.229 63.100 -0.242 0.000 0.822 156 P CB -0.317 31.201 31.700 -0.304 0.000 0.784 157 H N -1.705 117.228 119.070 -0.228 0.000 2.529 157 H HA 0.082 4.638 4.556 -0.001 0.000 0.277 157 H C 1.639 176.798 175.328 -0.281 0.000 0.999 157 H CA 0.928 56.819 56.048 -0.261 0.000 1.256 157 H CB -0.065 29.480 29.762 -0.362 0.000 1.402 157 H HN 0.052 nan 8.280 nan 0.000 0.566 158 V N 0.199 119.992 119.914 -0.203 0.000 2.806 158 V HA -0.055 4.064 4.120 -0.001 0.000 0.239 158 V C 2.113 178.159 176.094 -0.079 0.000 1.113 158 V CA 1.020 63.202 62.300 -0.196 0.000 1.137 158 V CB 0.412 32.022 31.823 -0.356 0.000 0.865 158 V HN 0.306 nan 8.190 nan 0.000 0.482 159 V N -2.277 117.599 119.914 -0.062 0.000 3.477 159 V HA 0.682 4.801 4.120 -0.001 0.000 0.297 159 V C 1.318 177.409 176.094 -0.004 0.000 1.433 159 V CA 0.603 62.901 62.300 -0.004 0.000 1.052 159 V CB -0.155 31.734 31.823 0.109 0.000 0.895 159 V HN 0.694 nan 8.190 nan 0.000 0.438 160 G N 1.046 109.816 108.800 -0.050 0.000 2.162 160 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.260 160 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.260 160 G C 0.243 175.107 174.900 -0.059 0.000 0.976 160 G CA 0.864 45.927 45.100 -0.061 0.000 0.655 160 G HN 1.288 nan 8.290 nan 0.000 0.533 161 T N -2.898 111.629 114.554 -0.045 0.000 2.841 161 T HA 0.629 4.978 4.350 -0.001 0.000 0.296 161 T C 0.959 175.624 174.700 -0.059 0.000 1.166 161 T CA -0.102 61.971 62.100 -0.046 0.000 1.007 161 T CB 1.683 70.536 68.868 -0.025 0.000 1.253 161 T HN 0.701 nan 8.240 nan 0.000 0.511 162 L N 1.111 122.295 121.223 -0.065 0.000 2.012 162 L HA -0.016 4.323 4.340 -0.001 0.000 0.210 162 L C 2.056 178.867 176.870 -0.099 0.000 1.073 162 L CA 3.045 57.828 54.840 -0.095 0.000 0.748 162 L CB -0.920 41.099 42.059 -0.067 0.000 0.891 162 L HN 1.139 nan 8.230 nan 0.000 0.431 163 E N -2.027 118.152 120.200 -0.034 0.000 5.052 163 E HA -0.311 4.038 4.350 -0.001 0.000 0.167 163 E C 1.534 178.131 176.600 -0.005 0.000 1.146 163 E CA 2.183 58.597 56.400 0.022 0.000 2.262 163 E CB -1.799 27.964 29.700 0.105 0.000 1.785 163 E HN 0.427 nan 8.360 nan 0.000 0.455 164 V N -1.435 118.381 119.914 -0.163 0.000 2.626 164 V HA -0.028 4.092 4.120 -0.001 0.000 0.252 164 V C 1.417 177.477 176.094 -0.057 0.000 1.067 164 V CA 2.068 64.231 62.300 -0.229 0.000 1.081 164 V CB -0.659 30.728 31.823 -0.727 0.000 0.686 164 V HN 0.341 nan 8.190 nan 0.000 0.468 165 Y N 1.035 121.411 120.300 0.127 0.000 2.685 165 Y HA 0.648 5.197 4.550 -0.001 0.000 0.339 165 Y C 0.320 176.404 175.900 0.308 0.000 0.961 165 Y CA -1.537 56.715 58.100 0.254 0.000 1.330 165 Y CB -0.255 38.259 38.460 0.090 0.000 1.269 165 Y HN 0.439 nan 8.280 nan 0.000 0.566 166 E N 0.060 120.471 120.200 0.350 0.000 2.312 166 E HA 0.345 4.694 4.350 -0.001 0.000 0.267 166 E C -0.953 175.668 176.600 0.035 0.000 0.894 166 E CA -1.482 55.050 56.400 0.221 0.000 0.773 166 E CB 1.857 31.601 29.700 0.074 0.000 1.241 166 E HN 0.013 nan 8.360 nan 0.000 0.432 167 Q N 2.077 121.864 119.800 -0.021 0.000 2.361 167 Q HA -0.032 4.307 4.340 -0.001 0.000 0.276 167 Q C -0.744 175.175 176.000 -0.135 0.000 1.022 167 Q CA 0.536 56.196 55.803 -0.239 0.000 0.898 167 Q CB 0.557 29.150 28.738 -0.242 0.000 1.246 167 Q HN 0.247 nan 8.270 nan 0.000 0.410 168 Q N 1.940 121.569 119.800 -0.286 0.000 2.193 168 Q HA 0.313 4.653 4.340 -0.001 0.000 0.246 168 Q C -0.374 175.633 176.000 0.011 0.000 0.959 168 Q CA -0.524 55.102 55.803 -0.295 0.000 0.904 168 Q CB 0.767 28.949 28.738 -0.927 0.000 1.238 168 Q HN 0.695 nan 8.270 nan 0.000 0.469 169 T N 1.610 116.133 114.554 -0.053 0.000 2.905 169 T HA 0.151 4.501 4.350 -0.001 0.000 0.299 169 T C 0.185 174.921 174.700 0.059 0.000 1.024 169 T CA 0.043 62.125 62.100 -0.030 0.000 1.151 169 T CB 0.141 68.963 68.868 -0.076 0.000 0.987 169 T HN 0.595 nan 8.240 nan 0.000 0.535 170 A N 3.298 126.188 122.820 0.117 0.000 2.531 170 A HA 0.136 4.455 4.320 -0.001 0.000 0.236 170 A C 0.999 178.666 177.584 0.138 0.000 1.062 170 A CA -0.256 51.862 52.037 0.136 0.000 0.760 170 A CB -0.005 19.106 19.000 0.186 0.000 0.995 170 A HN 1.104 nan 8.150 nan 0.000 0.501 171 W N 1.711 123.116 121.300 0.175 0.000 2.318 171 W HA -0.146 4.513 4.660 -0.001 0.000 0.313 171 W C -0.437 176.134 176.519 0.087 0.000 1.221 171 W CA 2.078 59.498 57.345 0.126 0.000 1.266 171 W CB -0.964 28.574 29.460 0.130 0.000 1.150 171 W HN 0.634 nan 8.180 nan 0.000 0.496 172 P HA -0.153 nan 4.420 nan 0.000 0.218 172 P C 1.488 178.875 177.300 0.145 0.000 1.148 172 P CA 1.597 64.817 63.100 0.199 0.000 0.822 172 P CB -0.314 31.485 31.700 0.166 0.000 0.784 173 V N 0.296 120.284 119.914 0.123 0.000 2.358 173 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 173 V C 2.746 178.873 176.094 0.054 0.000 1.047 173 V CA 1.468 63.810 62.300 0.070 0.000 1.035 173 V CB -1.220 30.626 31.823 0.038 0.000 0.658 173 V HN 0.029 nan 8.190 nan 0.000 0.452 174 L N 0.286 121.548 121.223 0.064 0.000 2.017 174 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 174 L C 2.806 179.718 176.870 0.071 0.000 1.073 174 L CA 1.741 56.602 54.840 0.036 0.000 0.745 174 L CB -1.018 41.047 42.059 0.011 0.000 0.894 174 L HN 0.376 nan 8.230 nan 0.000 0.432 175 A N -0.230 122.666 122.820 0.126 0.000 1.940 175 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 175 A C 2.139 179.767 177.584 0.074 0.000 1.176 175 A CA 1.865 53.969 52.037 0.112 0.000 0.631 175 A CB -0.364 18.716 19.000 0.133 0.000 0.814 175 A HN 0.330 nan 8.150 nan 0.000 0.446 176 E N -0.269 119.969 120.200 0.064 0.000 2.170 176 E HA 0.008 4.357 4.350 -0.001 0.000 0.191 176 E C 1.573 178.190 176.600 0.029 0.000 0.981 176 E CA 1.048 57.475 56.400 0.046 0.000 0.830 176 E CB 0.005 29.732 29.700 0.044 0.000 0.775 176 E HN 0.690 nan 8.360 nan 0.000 0.470 177 N N -1.115 117.598 118.700 0.021 0.000 2.382 177 N HA 0.044 4.784 4.740 -0.001 0.000 0.200 177 N C -0.198 175.307 175.510 -0.008 0.000 1.122 177 N CA 0.204 53.257 53.050 0.004 0.000 0.870 177 N CB 0.697 39.181 38.487 -0.004 0.000 1.176 177 N HN -0.032 nan 8.380 nan 0.000 0.474 178 T N 1.399 115.945 114.554 -0.014 0.000 2.884 178 T HA 0.144 4.493 4.350 -0.001 0.000 0.298 178 T C 1.103 175.787 174.700 -0.026 0.000 0.998 178 T CA 0.265 62.343 62.100 -0.037 0.000 1.124 178 T CB 1.677 70.505 68.868 -0.066 0.000 0.931 178 T HN 0.124 nan 8.240 nan 0.000 0.531 179 E N 1.086 121.269 120.200 -0.029 0.000 2.290 179 E HA 0.159 4.508 4.350 -0.001 0.000 0.197 179 E C -0.170 176.415 176.600 -0.024 0.000 0.948 179 E CA 0.196 56.587 56.400 -0.015 0.000 0.895 179 E CB 0.706 30.405 29.700 -0.001 0.000 0.865 179 E HN 0.265 nan 8.360 nan 0.000 0.486 180 V N 2.231 122.118 119.914 -0.044 0.000 2.482 180 V HA 0.285 4.404 4.120 -0.001 0.000 0.295 180 V C -0.966 175.040 176.094 -0.147 0.000 1.026 180 V CA -0.662 61.605 62.300 -0.057 0.000 0.856 180 V CB 1.568 33.403 31.823 0.020 0.000 1.001 180 V HN 0.114 nan 8.190 nan 0.000 0.424 181 M N 6.652 126.127 119.600 -0.208 0.000 2.088 181 M HA 0.612 5.091 4.480 -0.001 0.000 0.346 181 M C -1.113 174.935 176.300 -0.421 0.000 1.111 181 M CA -0.090 54.991 55.300 -0.365 0.000 1.017 181 M CB 1.324 33.675 32.600 -0.415 0.000 1.568 181 M HN 0.383 nan 8.290 nan 0.000 0.445 182 V N 6.580 126.232 119.914 -0.436 0.000 2.370 182 V HA 0.454 4.574 4.120 -0.001 0.000 0.283 182 V C -0.983 174.917 176.094 -0.324 0.000 1.023 182 V CA -0.416 61.709 62.300 -0.291 0.000 0.857 182 V CB 1.073 32.767 31.823 -0.216 0.000 0.985 182 V HN 0.643 nan 8.190 nan 0.000 0.443 183 F N 4.332 124.309 119.950 0.045 0.000 2.313 183 F HA 0.359 4.885 4.527 -0.001 0.000 0.369 183 F C -0.108 175.781 175.800 0.149 0.000 1.109 183 F CA -0.627 57.438 58.000 0.107 0.000 1.132 183 F CB 0.904 39.964 39.000 0.099 0.000 1.291 183 F HN 0.522 nan 8.300 nan 0.000 0.496 184 W N 4.721 126.131 121.300 0.184 0.000 2.283 184 W HA 0.506 5.166 4.660 -0.001 0.000 0.317 184 W C 0.272 176.865 176.519 0.123 0.000 1.042 184 W CA -1.218 56.209 57.345 0.137 0.000 1.348 184 W CB 0.997 30.513 29.460 0.094 0.000 1.216 184 W HN 0.745 nan 8.180 nan 0.000 0.404 185 A N 4.138 127.218 122.820 0.433 0.000 2.791 185 A HA 0.095 4.415 4.320 -0.001 0.000 0.292 185 A C -0.079 177.595 177.584 0.150 0.000 1.487 185 A CA 1.384 53.599 52.037 0.297 0.000 0.760 185 A CB -1.795 17.399 19.000 0.324 0.000 1.031 185 A HN 1.515 nan 8.150 nan 0.000 0.503 186 A N -0.557 122.344 122.820 0.135 0.000 2.455 186 A HA 0.682 5.001 4.320 -0.001 0.000 0.300 186 A C -0.600 176.993 177.584 0.015 0.000 1.040 186 A CA 0.287 52.328 52.037 0.008 0.000 0.697 186 A CB 1.251 20.282 19.000 0.050 0.000 1.265 186 A HN 0.909 nan 8.150 nan 0.000 0.407 187 D N 3.122 123.505 120.400 -0.028 0.000 2.441 187 D HA 0.339 4.979 4.640 -0.001 0.000 0.287 187 D C -1.742 174.502 176.300 -0.094 0.000 1.198 187 D CA -1.698 52.273 54.000 -0.049 0.000 0.894 187 D CB 1.276 42.096 40.800 0.032 0.000 1.070 187 D HN 0.174 nan 8.370 nan 0.000 0.499 188 P HA -0.110 nan 4.420 nan 0.000 0.220 188 P C 1.714 178.858 177.300 -0.259 0.000 1.148 188 P CA 0.264 63.261 63.100 -0.172 0.000 0.803 188 P CB 0.690 32.267 31.700 -0.205 0.000 0.782 189 I N 0.779 121.198 120.570 -0.252 0.000 2.226 189 I HA -0.188 3.981 4.170 -0.001 0.000 0.245 189 I C 2.538 178.594 176.117 -0.102 0.000 1.100 189 I CA 1.499 62.694 61.300 -0.175 0.000 1.374 189 I CB -1.126 36.802 38.000 -0.120 0.000 1.057 189 I HN 0.087 nan 8.210 nan 0.000 0.413 190 K N 0.918 121.218 120.400 -0.168 0.000 2.007 190 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 190 K C 1.946 178.350 176.600 -0.326 0.000 1.047 190 K CA 2.083 58.096 56.287 -0.456 0.000 0.937 190 K CB -0.030 32.292 32.500 -0.296 0.000 0.718 190 K HN 0.391 nan 8.250 nan 0.000 0.438 191 T N -2.002 112.460 114.554 -0.154 0.000 3.113 191 T HA 0.099 4.448 4.350 -0.001 0.000 0.256 191 T C 1.462 176.144 174.700 -0.029 0.000 1.131 191 T CA 0.543 62.599 62.100 -0.074 0.000 1.074 191 T CB 0.248 69.125 68.868 0.015 0.000 0.944 191 T HN 0.007 nan 8.240 nan 0.000 0.516 192 S N 1.498 117.174 115.700 -0.040 0.000 2.603 192 S HA 0.091 4.560 4.470 -0.001 0.000 0.220 192 S C 1.809 176.554 174.600 0.241 0.000 0.967 192 S CA -0.103 58.108 58.200 0.019 0.000 0.920 192 S CB -0.204 62.843 63.200 -0.255 0.000 0.773 192 S HN 0.594 nan 8.310 nan 0.000 0.529 193 Q N 0.510 120.421 119.800 0.184 0.000 2.291 193 Q HA 0.005 4.344 4.340 -0.001 0.000 0.205 193 Q C 0.546 176.745 176.000 0.333 0.000 0.970 193 Q CA 0.727 56.669 55.803 0.233 0.000 0.876 193 Q CB -0.206 28.585 28.738 0.089 0.000 0.935 193 Q HN 0.708 nan 8.270 nan 0.000 0.455 194 I N -4.280 116.366 120.570 0.127 0.000 3.023 194 I HA 0.768 4.937 4.170 -0.001 0.000 0.312 194 I C -0.057 176.096 176.117 0.060 0.000 1.056 194 I CA -1.042 60.267 61.300 0.014 0.000 1.033 194 I CB 1.989 39.829 38.000 -0.267 0.000 1.233 194 I HN -0.179 nan 8.210 nan 0.000 0.462 195 G N 0.848 109.717 108.800 0.115 0.000 2.619 195 G HA2 0.248 4.208 3.960 -0.001 0.000 0.296 195 G HA3 0.248 4.208 3.960 -0.001 0.000 0.296 195 G C -0.663 174.463 174.900 0.376 0.000 1.334 195 G CA -0.655 44.531 45.100 0.144 0.000 0.934 195 G HN 0.971 nan 8.290 nan 0.000 0.476 196 W N 1.539 122.871 121.300 0.053 0.000 2.379 196 W HA -0.003 4.656 4.660 -0.001 0.000 0.307 196 W C 0.957 177.496 176.519 0.033 0.000 1.200 196 W CA 1.908 59.184 57.345 -0.115 0.000 1.297 196 W CB 0.050 29.334 29.460 -0.294 0.000 1.140 196 W HN 0.446 nan 8.180 nan 0.000 0.507 197 V N -0.164 119.747 119.914 -0.006 0.000 3.613 197 V HA 0.311 4.430 4.120 -0.001 0.000 0.283 197 V C 0.533 176.605 176.094 -0.038 0.000 1.052 197 V CA -1.064 61.173 62.300 -0.105 0.000 0.937 197 V CB 0.277 32.063 31.823 -0.062 0.000 1.241 197 V HN -0.021 nan 8.190 nan 0.000 0.429 198 I N 2.930 123.466 120.570 -0.057 0.000 2.556 198 I HA 0.278 4.448 4.170 -0.001 0.000 0.284 198 I C -2.055 174.050 176.117 -0.020 0.000 1.114 198 I CA -1.372 59.907 61.300 -0.035 0.000 1.418 198 I CB 0.760 38.712 38.000 -0.080 0.000 1.394 198 I HN 0.581 nan 8.210 nan 0.000 0.552 199 P HA 0.073 nan 4.420 nan 0.000 0.278 199 P C -0.298 176.921 177.300 -0.135 0.000 1.238 199 P CA -0.200 62.845 63.100 -0.090 0.000 0.794 199 P CB 1.004 32.607 31.700 -0.162 0.000 0.955 200 E N 1.583 121.764 120.200 -0.031 0.000 2.498 200 E HA -0.049 4.300 4.350 -0.001 0.000 0.203 200 E C -0.141 176.537 176.600 0.130 0.000 1.013 200 E CA -0.187 56.272 56.400 0.098 0.000 0.927 200 E CB -1.054 28.760 29.700 0.190 0.000 1.012 200 E HN 0.598 nan 8.360 nan 0.000 0.482 201 H N -0.422 118.799 119.070 0.251 0.000 2.741 201 H HA -0.150 4.405 4.556 -0.001 0.000 0.305 201 H C 1.240 176.719 175.328 0.252 0.000 1.169 201 H CA 0.022 56.254 56.048 0.306 0.000 1.144 201 H CB -1.583 28.390 29.762 0.352 0.000 1.397 201 H HN 0.446 nan 8.280 nan 0.000 0.409 202 G N 0.069 109.024 108.800 0.258 0.000 2.470 202 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.220 202 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.220 202 G C 1.736 176.655 174.900 0.031 0.000 1.121 202 G CA 0.676 45.887 45.100 0.184 0.000 0.766 202 G HN 0.617 nan 8.290 nan 0.000 0.553 203 A N 0.225 123.027 122.820 -0.030 0.000 1.972 203 A HA 0.052 4.371 4.320 -0.001 0.000 0.219 203 A C 2.107 179.286 177.584 -0.675 0.000 1.169 203 A CA 1.281 53.085 52.037 -0.388 0.000 0.635 203 A CB -0.515 18.317 19.000 -0.281 0.000 0.810 203 A HN 0.422 nan 8.150 nan 0.000 0.446 204 Y N 0.350 120.462 120.300 -0.314 0.000 2.181 204 Y HA -0.097 4.452 4.550 -0.001 0.000 0.288 204 Y C -0.114 175.607 175.900 -0.297 0.000 1.146 204 Y CA 1.813 59.676 58.100 -0.394 0.000 1.164 204 Y CB -1.571 36.609 38.460 -0.467 0.000 0.982 204 Y HN 0.327 nan 8.280 nan 0.000 0.515 205 P HA -0.067 nan 4.420 nan 0.000 0.219 205 P C 1.802 178.988 177.300 -0.190 0.000 1.150 205 P CA 1.939 64.996 63.100 -0.072 0.000 0.814 205 P CB -0.245 31.448 31.700 -0.013 0.000 0.787 206 G N 0.288 108.786 108.800 -0.503 0.000 2.421 206 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.216 206 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.216 206 G C 1.536 176.055 174.900 -0.635 0.000 1.171 206 G CA 0.520 45.122 45.100 -0.830 0.000 0.775 206 G HN 0.223 nan 8.290 nan 0.000 0.543 207 L N 0.055 120.895 121.223 -0.638 0.000 2.093 207 L HA 0.014 4.353 4.340 -0.001 0.000 0.208 207 L C 2.718 179.714 176.870 0.211 0.000 1.085 207 L CA 1.277 56.056 54.840 -0.101 0.000 0.755 207 L CB -0.292 41.611 42.059 -0.260 0.000 0.904 207 L HN 0.228 nan 8.230 nan 0.000 0.435 208 E N 0.789 121.058 120.200 0.116 0.000 2.085 208 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 208 E C 2.146 178.838 176.600 0.152 0.000 0.994 208 E CA 1.603 58.132 56.400 0.214 0.000 0.801 208 E CB -0.108 29.681 29.700 0.149 0.000 0.743 208 E HN 0.369 nan 8.360 nan 0.000 0.453 209 A N 0.520 123.402 122.820 0.103 0.000 1.933 209 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 209 A C 2.293 179.968 177.584 0.152 0.000 1.175 209 A CA 1.400 53.502 52.037 0.109 0.000 0.628 209 A CB -0.699 18.357 19.000 0.093 0.000 0.814 209 A HN 0.346 nan 8.150 nan 0.000 0.444 210 L N -0.640 120.714 121.223 0.218 0.000 2.046 210 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 210 L C 2.649 179.679 176.870 0.266 0.000 1.077 210 L CA 2.057 57.045 54.840 0.246 0.000 0.747 210 L CB -0.572 41.677 42.059 0.317 0.000 0.896 210 L HN 0.486 nan 8.230 nan 0.000 0.432 211 K N 0.594 121.215 120.400 0.369 0.000 2.097 211 K HA -0.155 4.164 4.320 -0.001 0.000 0.205 211 K C 2.149 178.816 176.600 0.112 0.000 1.050 211 K CA 1.252 57.696 56.287 0.261 0.000 0.938 211 K CB -0.050 32.487 32.500 0.062 0.000 0.718 211 K HN 0.249 nan 8.250 nan 0.000 0.442 212 A N 1.291 124.167 122.820 0.093 0.000 1.972 212 A HA -0.108 4.211 4.320 -0.001 0.000 0.219 212 A C 1.687 179.306 177.584 0.059 0.000 1.169 212 A CA 1.286 53.359 52.037 0.059 0.000 0.635 212 A CB -0.174 18.861 19.000 0.058 0.000 0.810 212 A HN 0.168 nan 8.150 nan 0.000 0.446 213 K N -1.151 119.293 120.400 0.075 0.000 2.444 213 K HA 0.121 4.441 4.320 -0.001 0.000 0.193 213 K C 1.059 177.692 176.600 0.055 0.000 1.024 213 K CA 0.682 57.006 56.287 0.062 0.000 1.077 213 K CB -0.237 32.303 32.500 0.067 0.000 0.833 213 K HN 0.716 nan 8.250 nan 0.000 0.517 214 G N 2.433 111.271 108.800 0.063 0.000 2.221 214 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.265 214 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.265 214 G C 0.141 175.067 174.900 0.043 0.000 1.041 214 G CA 0.617 45.749 45.100 0.053 0.000 0.807 214 G HN 0.232 nan 8.290 nan 0.000 0.502 215 T N 0.064 114.645 114.554 0.045 0.000 2.930 215 T HA 0.361 4.710 4.350 -0.001 0.000 0.306 215 T C 0.792 175.482 174.700 -0.018 0.000 1.045 215 T CA 0.519 62.624 62.100 0.009 0.000 1.134 215 T CB 1.046 69.915 68.868 0.001 0.000 0.961 215 T HN 0.590 nan 8.240 nan 0.000 0.545 216 K N 3.030 123.415 120.400 -0.024 0.000 2.379 216 K HA 0.290 4.609 4.320 -0.001 0.000 0.284 216 K C -1.156 175.394 176.600 -0.084 0.000 1.044 216 K CA -0.152 56.118 56.287 -0.027 0.000 0.974 216 K CB 0.150 32.650 32.500 -0.000 0.000 0.962 216 K HN 0.291 nan 8.250 nan 0.000 0.474 217 V N 6.607 126.458 119.914 -0.105 0.000 2.540 217 V HA 0.487 4.606 4.120 -0.001 0.000 0.302 217 V C -0.214 175.860 176.094 -0.034 0.000 1.035 217 V CA -0.789 61.407 62.300 -0.173 0.000 0.873 217 V CB 1.389 32.953 31.823 -0.432 0.000 0.992 217 V HN 0.702 nan 8.190 nan 0.000 0.428 218 I N 4.380 124.944 120.570 -0.010 0.000 2.465 218 I HA 0.552 4.722 4.170 -0.001 0.000 0.291 218 I C -0.814 175.357 176.117 0.090 0.000 1.014 218 I CA -0.829 60.501 61.300 0.050 0.000 1.093 218 I CB 2.249 40.287 38.000 0.064 0.000 1.267 218 I HN 0.275 nan 8.210 nan 0.000 0.431 219 V N 7.279 127.273 119.914 0.132 0.000 2.448 219 V HA 0.447 4.567 4.120 -0.001 0.000 0.295 219 V C -0.088 176.083 176.094 0.128 0.000 1.025 219 V CA -0.451 61.953 62.300 0.173 0.000 0.859 219 V CB 1.993 33.926 31.823 0.184 0.000 0.988 219 V HN 0.472 nan 8.190 nan 0.000 0.431 220 I N 4.797 125.367 120.570 -0.000 0.000 2.371 220 I HA 0.525 4.695 4.170 -0.001 0.000 0.282 220 I C -0.750 175.384 176.117 0.029 0.000 1.031 220 I CA 0.153 61.369 61.300 -0.140 0.000 1.180 220 I CB 0.907 38.501 38.000 -0.677 0.000 1.336 220 I HN 0.568 nan 8.210 nan 0.000 0.467 221 D N 8.265 128.753 120.400 0.146 0.000 2.836 221 D HA 0.205 4.844 4.640 -0.001 0.000 0.215 221 D C -2.333 174.106 176.300 0.232 0.000 1.255 221 D CA -1.307 52.812 54.000 0.198 0.000 0.822 221 D CB 3.335 44.264 40.800 0.214 0.000 1.656 221 D HN 0.060 nan 8.370 nan 0.000 0.511 222 P HA -0.010 nan 4.420 nan 0.000 0.226 222 P C 0.445 177.855 177.300 0.183 0.000 1.153 222 P CA 0.355 63.527 63.100 0.121 0.000 0.777 222 P CB 0.576 32.323 31.700 0.078 0.000 0.794 223 V N 0.869 120.922 119.914 0.231 0.000 2.581 223 V HA 0.319 4.439 4.120 -0.001 0.000 0.303 223 V C 0.725 176.939 176.094 0.199 0.000 1.041 223 V CA -1.042 61.384 62.300 0.210 0.000 0.907 223 V CB 2.141 34.062 31.823 0.164 0.000 0.994 223 V HN -0.128 nan 8.190 nan 0.000 0.442 224 R N 2.867 123.463 120.500 0.160 0.000 2.325 224 R HA 0.289 4.629 4.340 -0.001 0.000 0.323 224 R C 0.471 176.759 176.300 -0.021 0.000 1.177 224 R CA -0.086 55.979 56.100 -0.060 0.000 1.018 224 R CB 0.152 30.483 30.300 0.053 0.000 1.070 224 R HN 1.009 nan 8.270 nan 0.000 0.495 225 T N -0.166 114.370 114.554 -0.030 0.000 2.814 225 T HA 0.196 4.545 4.350 -0.001 0.000 0.284 225 T C 1.125 175.868 174.700 0.072 0.000 0.998 225 T CA -0.662 61.477 62.100 0.066 0.000 0.935 225 T CB 1.025 69.950 68.868 0.094 0.000 1.167 225 T HN 0.420 nan 8.240 nan 0.000 0.545 226 K N -0.122 120.361 120.400 0.139 0.000 2.211 226 K HA -0.062 4.257 4.320 -0.001 0.000 0.203 226 K C 2.426 179.096 176.600 0.117 0.000 1.050 226 K CA 1.317 57.690 56.287 0.144 0.000 0.945 226 K CB -0.590 32.056 32.500 0.243 0.000 0.732 226 K HN 0.593 nan 8.250 nan 0.000 0.451 227 T N 1.210 115.810 114.554 0.077 0.000 2.788 227 T HA -0.096 4.253 4.350 -0.001 0.000 0.268 227 T C 2.052 176.875 174.700 0.205 0.000 1.044 227 T CA 1.035 63.181 62.100 0.077 0.000 1.139 227 T CB -0.136 68.708 68.868 -0.040 0.000 0.867 227 T HN -0.054 nan 8.240 nan 0.000 0.454 228 V N 1.725 121.703 119.914 0.107 0.000 2.295 228 V HA -0.143 3.976 4.120 -0.001 0.000 0.246 228 V C 2.699 178.871 176.094 0.130 0.000 1.049 228 V CA 1.550 63.901 62.300 0.085 0.000 1.024 228 V CB -0.498 31.243 31.823 -0.136 0.000 0.648 228 V HN 0.409 nan 8.190 nan 0.000 0.447 229 E N -0.338 119.919 120.200 0.095 0.000 2.051 229 E HA -0.237 4.112 4.350 -0.001 0.000 0.192 229 E C 2.027 178.688 176.600 0.102 0.000 0.991 229 E CA 1.474 57.927 56.400 0.089 0.000 0.799 229 E CB -0.558 29.186 29.700 0.072 0.000 0.748 229 E HN 0.609 nan 8.360 nan 0.000 0.449 230 F N 0.601 120.518 119.950 -0.053 0.000 2.091 230 F HA -0.244 4.282 4.527 -0.001 0.000 0.299 230 F C 1.893 177.562 175.800 -0.219 0.000 1.103 230 F CA 1.488 59.377 58.000 -0.186 0.000 1.228 230 F CB -0.217 38.569 39.000 -0.355 0.000 0.984 230 F HN -0.083 nan 8.300 nan 0.000 0.477 231 F N 0.165 120.165 119.950 0.084 0.000 2.754 231 F HA 0.307 4.833 4.527 -0.001 0.000 0.297 231 F C 1.875 177.670 175.800 -0.009 0.000 1.122 231 F CA 0.572 58.569 58.000 -0.004 0.000 1.400 231 F CB -0.578 38.510 39.000 0.146 0.000 1.117 231 F HN 0.056 nan 8.300 nan 0.000 0.587 232 G N 1.280 110.180 108.800 0.166 0.000 2.295 232 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.287 232 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.287 232 G C 0.375 175.363 174.900 0.146 0.000 1.055 232 G CA -0.012 45.156 45.100 0.115 0.000 0.922 232 G HN 0.638 nan 8.290 nan 0.000 0.503 233 A N -0.606 122.331 122.820 0.196 0.000 2.366 233 A HA 0.617 4.936 4.320 -0.001 0.000 0.249 233 A C 0.695 178.358 177.584 0.133 0.000 1.084 233 A CA 0.435 52.571 52.037 0.166 0.000 0.794 233 A CB 0.379 19.498 19.000 0.199 0.000 1.034 233 A HN 0.854 nan 8.150 nan 0.000 0.491 234 E N 0.439 120.704 120.200 0.108 0.000 2.376 234 E HA 0.097 4.446 4.350 -0.001 0.000 0.266 234 E C -0.404 176.292 176.600 0.161 0.000 1.009 234 E CA 0.083 56.545 56.400 0.103 0.000 0.902 234 E CB 0.199 29.935 29.700 0.060 0.000 0.972 234 E HN 0.712 nan 8.360 nan 0.000 0.439 235 H N 6.071 125.157 119.070 0.027 0.000 2.589 235 H HA 0.286 4.841 4.556 -0.001 0.000 0.335 235 H C -0.897 174.426 175.328 -0.007 0.000 1.019 235 H CA -1.125 54.937 56.048 0.023 0.000 1.213 235 H CB 0.708 30.498 29.762 0.046 0.000 1.472 235 H HN 0.394 nan 8.280 nan 0.000 0.508 236 I N 4.971 125.493 120.570 -0.080 0.000 2.377 236 I HA 0.096 4.265 4.170 -0.001 0.000 0.293 236 I C 0.416 176.365 176.117 -0.280 0.000 0.987 236 I CA -0.566 60.616 61.300 -0.197 0.000 1.185 236 I CB 1.464 39.369 38.000 -0.159 0.000 1.341 236 I HN 0.623 nan 8.210 nan 0.000 0.455 237 T N 4.298 118.678 114.554 -0.291 0.000 2.963 237 T HA 0.522 4.871 4.350 -0.001 0.000 0.343 237 T C -2.428 172.200 174.700 -0.119 0.000 1.146 237 T CA -1.705 60.264 62.100 -0.218 0.000 1.016 237 T CB 1.100 69.818 68.868 -0.250 0.000 1.046 237 T HN 0.322 nan 8.240 nan 0.000 0.496 238 P HA 0.359 nan 4.420 nan 0.000 0.281 238 P C -0.475 176.797 177.300 -0.045 0.000 1.249 238 P CA -0.752 62.316 63.100 -0.053 0.000 0.810 238 P CB 1.113 32.809 31.700 -0.008 0.000 1.008 239 K N 2.549 122.915 120.400 -0.056 0.000 2.401 239 K HA 0.196 4.515 4.320 -0.001 0.000 0.278 239 K C -2.089 174.470 176.600 -0.069 0.000 1.018 239 K CA -1.324 54.927 56.287 -0.059 0.000 0.981 239 K CB -0.670 31.800 32.500 -0.049 0.000 0.933 239 K HN 0.367 nan 8.250 nan 0.000 0.477 240 P HA -0.118 nan 4.420 nan 0.000 0.265 240 P C -0.754 176.479 177.300 -0.112 0.000 1.187 240 P CA 0.531 63.484 63.100 -0.245 0.000 0.766 240 P CB 0.444 31.664 31.700 -0.799 0.000 0.820 241 Q N -0.872 118.947 119.800 0.031 0.000 2.466 241 Q HA -0.171 4.168 4.340 -0.001 0.000 0.248 241 Q C 0.347 176.513 176.000 0.277 0.000 0.791 241 Q CA 1.381 57.281 55.803 0.162 0.000 1.225 241 Q CB -2.832 26.013 28.738 0.178 0.000 1.418 241 Q HN 0.721 nan 8.270 nan 0.000 0.662 242 T N -5.108 109.561 114.554 0.191 0.000 3.132 242 T HA 0.203 4.552 4.350 -0.001 0.000 0.274 242 T C 0.584 175.349 174.700 0.107 0.000 1.011 242 T CA 0.409 62.587 62.100 0.130 0.000 0.899 242 T CB 0.294 69.126 68.868 -0.061 0.000 1.089 242 T HN 0.118 nan 8.240 nan 0.000 0.543 243 D N 1.764 122.288 120.400 0.208 0.000 2.149 243 D HA -0.085 4.554 4.640 -0.001 0.000 0.198 243 D C 1.990 178.418 176.300 0.214 0.000 0.990 243 D CA 0.904 55.071 54.000 0.279 0.000 0.839 243 D CB -0.174 40.829 40.800 0.339 0.000 0.948 243 D HN 0.239 nan 8.370 nan 0.000 0.460 244 V N 0.877 120.921 119.914 0.216 0.000 2.407 244 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 244 V C 2.353 178.579 176.094 0.221 0.000 1.055 244 V CA 1.784 64.223 62.300 0.231 0.000 1.049 244 V CB -0.712 31.329 31.823 0.364 0.000 0.662 244 V HN 0.274 nan 8.190 nan 0.000 0.455 245 A N -0.142 122.697 122.820 0.031 0.000 1.902 245 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 245 A C 2.166 179.736 177.584 -0.024 0.000 1.181 245 A CA 1.822 53.736 52.037 -0.205 0.000 0.623 245 A CB -0.499 17.922 19.000 -0.964 0.000 0.818 245 A HN 0.505 nan 8.150 nan 0.000 0.443 246 I N -0.648 119.934 120.570 0.021 0.000 2.226 246 I HA -0.325 3.844 4.170 -0.001 0.000 0.245 246 I C 2.712 178.970 176.117 0.235 0.000 1.100 246 I CA 1.625 63.000 61.300 0.124 0.000 1.374 246 I CB -0.326 37.795 38.000 0.202 0.000 1.057 246 I HN 0.356 nan 8.210 nan 0.000 0.413 247 M N -0.064 119.698 119.600 0.270 0.000 2.108 247 M HA -0.235 4.244 4.480 -0.001 0.000 0.261 247 M C 2.360 178.796 176.300 0.227 0.000 1.066 247 M CA 1.861 57.304 55.300 0.238 0.000 1.107 247 M CB -0.433 32.213 32.600 0.076 0.000 1.356 247 M HN 0.246 nan 8.290 nan 0.000 0.406 248 L N -0.368 121.004 121.223 0.249 0.000 2.046 248 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 248 L C 2.720 179.725 176.870 0.225 0.000 1.077 248 L CA 1.409 56.407 54.840 0.264 0.000 0.747 248 L CB -1.195 41.056 42.059 0.320 0.000 0.896 248 L HN 0.419 nan 8.230 nan 0.000 0.432 249 G N -0.449 108.493 108.800 0.237 0.000 2.440 249 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.218 249 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.218 249 G C 1.610 176.615 174.900 0.175 0.000 1.154 249 G CA 0.768 45.983 45.100 0.192 0.000 0.767 249 G HN 0.211 nan 8.290 nan 0.000 0.552 250 M N 0.744 120.448 119.600 0.174 0.000 2.086 250 M HA 0.024 4.503 4.480 -0.001 0.000 0.261 250 M C 3.088 179.482 176.300 0.157 0.000 1.067 250 M CA 1.407 56.800 55.300 0.154 0.000 1.116 250 M CB -0.277 32.442 32.600 0.199 0.000 1.348 250 M HN 0.295 nan 8.290 nan 0.000 0.407 251 A N -0.444 122.484 122.820 0.180 0.000 1.908 251 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 251 A C 2.073 179.717 177.584 0.100 0.000 1.181 251 A CA 1.920 54.053 52.037 0.161 0.000 0.627 251 A CB -1.315 17.823 19.000 0.230 0.000 0.818 251 A HN 0.596 nan 8.150 nan 0.000 0.445 252 H N -0.122 118.962 119.070 0.024 0.000 2.353 252 H HA -0.112 4.443 4.556 -0.001 0.000 0.300 252 H C 2.008 177.338 175.328 0.005 0.000 1.090 252 H CA 2.084 58.115 56.048 -0.029 0.000 1.327 252 H CB -0.200 29.529 29.762 -0.056 0.000 1.383 252 H HN 0.437 nan 8.280 nan 0.000 0.508 253 T N 1.706 116.322 114.554 0.103 0.000 2.746 253 T HA -0.107 4.242 4.350 -0.001 0.000 0.267 253 T C 2.432 177.141 174.700 0.016 0.000 1.039 253 T CA 1.292 63.430 62.100 0.063 0.000 1.142 253 T CB -0.293 68.626 68.868 0.085 0.000 0.866 253 T HN 0.248 nan 8.240 nan 0.000 0.444 254 L N 0.617 121.870 121.223 0.049 0.000 2.131 254 L HA -0.058 4.281 4.340 -0.001 0.000 0.210 254 L C 2.586 179.541 176.870 0.140 0.000 1.092 254 L CA 0.680 55.581 54.840 0.101 0.000 0.759 254 L CB -0.605 41.538 42.059 0.140 0.000 0.903 254 L HN 0.155 nan 8.230 nan 0.000 0.435 255 V N -0.106 119.818 119.914 0.015 0.000 2.346 255 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 255 V C 2.712 178.797 176.094 -0.014 0.000 1.037 255 V CA 1.682 64.000 62.300 0.030 0.000 1.029 255 V CB -0.651 31.090 31.823 -0.136 0.000 0.663 255 V HN 0.438 nan 8.190 nan 0.000 0.454 256 A N -0.409 122.305 122.820 -0.178 0.000 1.972 256 A HA -0.204 4.116 4.320 -0.001 0.000 0.219 256 A C 2.000 179.564 177.584 -0.034 0.000 1.169 256 A CA 1.684 53.635 52.037 -0.144 0.000 0.635 256 A CB -0.375 18.500 19.000 -0.208 0.000 0.810 256 A HN 0.646 nan 8.150 nan 0.000 0.446 257 E N -1.091 119.108 120.200 -0.002 0.000 2.479 257 E HA 0.056 4.406 4.350 -0.001 0.000 0.193 257 E C -0.416 176.205 176.600 0.034 0.000 1.049 257 E CA 0.176 56.587 56.400 0.018 0.000 0.870 257 E CB 0.108 29.820 29.700 0.021 0.000 0.944 257 E HN 0.467 nan 8.360 nan 0.000 0.492 258 D N 0.164 120.602 120.400 0.063 0.000 2.699 258 D HA -0.191 4.448 4.640 -0.001 0.000 0.239 258 D C 0.186 176.506 176.300 0.034 0.000 1.136 258 D CA 0.436 54.473 54.000 0.062 0.000 0.668 258 D CB -1.083 39.727 40.800 0.016 0.000 1.060 258 D HN 0.269 nan 8.370 nan 0.000 0.429 259 L N -0.509 120.771 121.223 0.095 0.000 2.515 259 L HA 0.117 4.456 4.340 -0.001 0.000 0.223 259 L C 1.379 178.297 176.870 0.080 0.000 1.079 259 L CA -0.441 54.438 54.840 0.066 0.000 0.857 259 L CB -0.251 41.855 42.059 0.077 0.000 1.050 259 L HN 0.290 nan 8.230 nan 0.000 0.476 260 Y N -0.577 119.733 120.300 0.017 0.000 2.385 260 Y HA 0.135 4.685 4.550 -0.001 0.000 0.346 260 Y C 0.328 176.227 175.900 -0.001 0.000 1.270 260 Y CA -1.143 56.964 58.100 0.010 0.000 1.472 260 Y CB -0.034 38.433 38.460 0.013 0.000 1.354 260 Y HN -0.125 nan 8.280 nan 0.000 0.611 261 D N 2.100 122.536 120.400 0.060 0.000 2.453 261 D HA 0.079 4.718 4.640 -0.001 0.000 0.223 261 D C 0.282 176.558 176.300 -0.041 0.000 1.183 261 D CA -0.039 53.952 54.000 -0.016 0.000 0.933 261 D CB 0.386 41.225 40.800 0.064 0.000 1.038 261 D HN 0.718 nan 8.370 nan 0.000 0.513 262 K N 1.635 121.865 120.400 -0.284 0.000 2.147 262 K HA -0.120 4.199 4.320 -0.001 0.000 0.205 262 K C 0.919 177.498 176.600 -0.034 0.000 1.049 262 K CA 0.794 56.945 56.287 -0.226 0.000 0.936 262 K CB 0.408 32.722 32.500 -0.310 0.000 0.722 262 K HN 0.353 nan 8.250 nan 0.000 0.446 263 D N 0.530 120.932 120.400 0.004 0.000 2.123 263 D HA -0.125 4.514 4.640 -0.001 0.000 0.200 263 D C 1.670 178.052 176.300 0.136 0.000 0.976 263 D CA 0.808 54.839 54.000 0.052 0.000 0.831 263 D CB -0.230 40.600 40.800 0.051 0.000 0.974 263 D HN 0.075 nan 8.370 nan 0.000 0.469 264 F N 1.590 121.582 119.950 0.071 0.000 2.134 264 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 264 F C 2.089 177.985 175.800 0.160 0.000 1.097 264 F CA 0.902 58.993 58.000 0.151 0.000 1.264 264 F CB -0.002 39.018 39.000 0.033 0.000 1.001 264 F HN -0.173 nan 8.300 nan 0.000 0.479 265 I N 0.700 121.413 120.570 0.238 0.000 2.179 265 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 265 I C 2.721 178.853 176.117 0.025 0.000 1.088 265 I CA 1.591 62.944 61.300 0.087 0.000 1.357 265 I CB -2.075 35.879 38.000 -0.076 0.000 1.051 265 I HN 0.232 nan 8.210 nan 0.000 0.409 266 A N 0.573 123.404 122.820 0.018 0.000 1.969 266 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 266 A C 1.988 179.525 177.584 -0.078 0.000 1.169 266 A CA 1.492 53.525 52.037 -0.007 0.000 0.635 266 A CB -0.407 18.590 19.000 -0.005 0.000 0.810 266 A HN 0.448 nan 8.150 nan 0.000 0.445 267 N N -2.385 116.225 118.700 -0.150 0.000 2.368 267 N HA 0.097 4.837 4.740 -0.001 0.000 0.178 267 N C 0.280 175.396 175.510 -0.658 0.000 1.076 267 N CA 0.767 53.590 53.050 -0.377 0.000 0.889 267 N CB 0.102 38.346 38.487 -0.405 0.000 1.040 267 N HN 0.609 nan 8.380 nan 0.000 0.463 268 Y N -0.179 119.868 120.300 -0.422 0.000 2.527 268 Y HA 0.209 4.758 4.550 -0.001 0.000 0.247 268 Y C 0.800 176.639 175.900 -0.101 0.000 1.138 268 Y CA -0.330 57.514 58.100 -0.427 0.000 1.228 268 Y CB 0.698 38.474 38.460 -1.141 0.000 1.252 268 Y HN -0.122 nan 8.280 nan 0.000 0.531 269 T N -2.967 111.617 114.554 0.049 0.000 2.916 269 T HA 0.677 5.026 4.350 -0.001 0.000 0.292 269 T C -0.580 174.196 174.700 0.127 0.000 1.064 269 T CA -0.917 61.268 62.100 0.143 0.000 1.011 269 T CB 2.163 71.142 68.868 0.184 0.000 1.152 269 T HN -0.106 nan 8.240 nan 0.000 0.510 270 S N -0.715 115.081 115.700 0.161 0.000 2.557 270 S HA 0.641 5.110 4.470 -0.001 0.000 0.291 270 S C 0.861 175.586 174.600 0.208 0.000 1.116 270 S CA 0.486 58.780 58.200 0.157 0.000 0.992 270 S CB 0.612 63.892 63.200 0.133 0.000 1.028 270 S HN 2.368 nan 8.310 nan 0.000 0.484 271 G N 3.444 112.364 108.800 0.200 0.000 2.176 271 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.232 271 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.232 271 G C 0.522 175.564 174.900 0.237 0.000 0.986 271 G CA 0.271 45.501 45.100 0.216 0.000 0.643 271 G HN 0.855 nan 8.290 nan 0.000 0.522 272 F N 2.727 122.750 119.950 0.122 0.000 2.171 272 F HA -0.042 4.484 4.527 -0.001 0.000 0.300 272 F C 2.488 178.362 175.800 0.123 0.000 1.090 272 F CA 2.339 60.427 58.000 0.147 0.000 1.293 272 F CB 0.060 39.146 39.000 0.143 0.000 1.013 272 F HN 0.341 nan 8.300 nan 0.000 0.486 273 D N 0.038 120.513 120.400 0.125 0.000 2.178 273 D HA -0.235 4.404 4.640 -0.001 0.000 0.201 273 D C 1.715 177.949 176.300 -0.109 0.000 0.980 273 D CA 1.405 55.404 54.000 -0.001 0.000 0.842 273 D CB -0.661 40.163 40.800 0.040 0.000 0.948 273 D HN 0.341 nan 8.370 nan 0.000 0.472 274 K N -1.022 119.311 120.400 -0.113 0.000 2.243 274 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 274 K C 1.762 178.282 176.600 -0.133 0.000 1.051 274 K CA 0.298 56.478 56.287 -0.179 0.000 0.970 274 K CB -0.115 32.114 32.500 -0.451 0.000 0.755 274 K HN 0.077 nan 8.250 nan 0.000 0.465 275 F N 1.060 120.799 119.950 -0.351 0.000 2.270 275 F HA -0.005 4.521 4.527 -0.001 0.000 0.295 275 F C 1.686 177.189 175.800 -0.495 0.000 1.087 275 F CA 0.360 58.034 58.000 -0.543 0.000 1.365 275 F CB -0.146 38.570 39.000 -0.473 0.000 1.056 275 F HN -0.154 nan 8.300 nan 0.000 0.506 276 L N 1.627 122.457 121.223 -0.656 0.000 2.043 276 L HA -0.126 4.213 4.340 -0.001 0.000 0.212 276 L C -0.804 175.792 176.870 -0.456 0.000 1.075 276 L CA 2.296 56.739 54.840 -0.662 0.000 0.752 276 L CB -1.888 39.848 42.059 -0.539 0.000 0.891 276 L HN 0.007 nan 8.230 nan 0.000 0.432 277 P HA -0.232 nan 4.420 nan 0.000 0.216 277 P C 1.353 178.524 177.300 -0.214 0.000 1.150 277 P CA 1.475 64.450 63.100 -0.208 0.000 0.837 277 P CB -0.250 31.372 31.700 -0.131 0.000 0.786 278 Y N 0.378 120.453 120.300 -0.376 0.000 2.163 278 Y HA -0.157 4.392 4.550 -0.001 0.000 0.288 278 Y C 2.127 177.755 175.900 -0.452 0.000 1.136 278 Y CA 1.160 59.046 58.100 -0.357 0.000 1.147 278 Y CB -1.120 37.110 38.460 -0.383 0.000 0.987 278 Y HN -0.228 nan 8.280 nan 0.000 0.509 279 L N 0.572 121.354 121.223 -0.737 0.000 2.042 279 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 279 L C 1.630 178.232 176.870 -0.448 0.000 1.076 279 L CA 2.247 56.660 54.840 -0.713 0.000 0.749 279 L CB -0.844 40.760 42.059 -0.758 0.000 0.893 279 L HN 0.178 nan 8.230 nan 0.000 0.432 280 D N -0.504 119.688 120.400 -0.347 0.000 2.347 280 D HA 0.125 4.764 4.640 -0.001 0.000 0.213 280 D C 1.648 177.810 176.300 -0.230 0.000 0.985 280 D CA 1.030 54.910 54.000 -0.199 0.000 0.879 280 D CB 0.154 40.855 40.800 -0.167 0.000 0.919 280 D HN 0.518 nan 8.370 nan 0.000 0.526 281 G N 1.133 109.738 108.800 -0.325 0.000 2.141 281 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.242 281 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.242 281 G C 0.913 175.701 174.900 -0.186 0.000 0.982 281 G CA 0.354 45.277 45.100 -0.295 0.000 0.662 281 G HN 0.369 nan 8.290 nan 0.000 0.527 282 E N -0.113 119.995 120.200 -0.154 0.000 2.150 282 E HA -0.083 4.267 4.350 -0.001 0.000 0.193 282 E C 2.661 179.218 176.600 -0.071 0.000 0.985 282 E CA 1.612 57.952 56.400 -0.100 0.000 0.814 282 E CB -0.156 29.489 29.700 -0.092 0.000 0.752 282 E HN 0.712 nan 8.360 nan 0.000 0.466 283 T N -0.399 114.119 114.554 -0.060 0.000 3.014 283 T HA -0.074 4.275 4.350 -0.001 0.000 0.263 283 T C 1.109 175.803 174.700 -0.010 0.000 1.078 283 T CA 1.212 63.306 62.100 -0.009 0.000 1.135 283 T CB 0.020 68.923 68.868 0.058 0.000 0.895 283 T HN 0.125 nan 8.240 nan 0.000 0.480 284 D N -0.720 119.652 120.400 -0.048 0.000 2.556 284 D HA 0.232 4.872 4.640 -0.001 0.000 0.237 284 D C 0.405 176.658 176.300 -0.079 0.000 1.296 284 D CA -0.098 53.876 54.000 -0.045 0.000 0.807 284 D CB -0.330 40.456 40.800 -0.025 0.000 1.084 284 D HN 0.205 nan 8.370 nan 0.000 0.510 285 S N -0.945 114.696 115.700 -0.098 0.000 3.476 285 S HA -0.148 4.321 4.470 -0.001 0.000 0.309 285 S C -0.026 174.487 174.600 -0.144 0.000 1.222 285 S CA 1.224 59.363 58.200 -0.101 0.000 0.922 285 S CB -2.102 61.060 63.200 -0.062 0.000 1.023 285 S HN 0.554 nan 8.310 nan 0.000 0.591 286 T N 2.111 116.529 114.554 -0.227 0.000 3.141 286 T HA 0.412 4.761 4.350 -0.001 0.000 0.377 286 T C -2.916 171.480 174.700 -0.508 0.000 1.258 286 T CA -1.177 60.724 62.100 -0.332 0.000 1.263 286 T CB 1.526 70.186 68.868 -0.348 0.000 1.066 286 T HN -0.103 nan 8.240 nan 0.000 0.546 287 P HA 0.121 nan 4.420 nan 0.000 0.264 287 P C 0.041 176.918 177.300 -0.704 0.000 1.193 287 P CA -0.476 62.340 63.100 -0.474 0.000 0.763 287 P CB 0.514 32.019 31.700 -0.325 0.000 0.810 288 K N 2.214 122.145 120.400 -0.782 0.000 3.006 288 K HA 0.113 4.433 4.320 -0.001 0.000 0.265 288 K C 0.648 176.964 176.600 -0.474 0.000 1.279 288 K CA 0.088 55.862 56.287 -0.856 0.000 1.229 288 K CB -1.263 30.749 32.500 -0.814 0.000 1.555 288 K HN 0.483 nan 8.250 nan 0.000 0.300 289 T N -2.981 111.260 114.554 -0.522 0.000 2.766 289 T HA 0.246 4.595 4.350 -0.001 0.000 0.295 289 T C 1.624 176.321 174.700 -0.005 0.000 1.024 289 T CA -0.077 61.765 62.100 -0.430 0.000 1.018 289 T CB 1.182 69.852 68.868 -0.330 0.000 1.002 289 T HN 0.239 nan 8.240 nan 0.000 0.532 290 A N 0.544 123.378 122.820 0.023 0.000 1.972 290 A HA -0.052 4.268 4.320 -0.001 0.000 0.219 290 A C 2.206 179.795 177.584 0.009 0.000 1.169 290 A CA 1.687 53.748 52.037 0.041 0.000 0.635 290 A CB -1.007 18.013 19.000 0.034 0.000 0.810 290 A HN 0.924 nan 8.150 nan 0.000 0.446 291 E N -1.320 118.885 120.200 0.008 0.000 2.072 291 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 291 E C 1.561 178.164 176.600 0.005 0.000 0.985 291 E CA 1.324 57.721 56.400 -0.006 0.000 0.801 291 E CB -0.373 29.326 29.700 -0.002 0.000 0.750 291 E HN 0.866 nan 8.360 nan 0.000 0.452 292 W N 1.436 122.645 121.300 -0.152 0.000 2.358 292 W HA -0.178 4.481 4.660 -0.001 0.000 0.303 292 W C 2.227 178.635 176.519 -0.184 0.000 1.208 292 W CA 2.190 59.434 57.345 -0.168 0.000 1.274 292 W CB -0.452 28.886 29.460 -0.204 0.000 1.138 292 W HN 0.047 nan 8.180 nan 0.000 0.515 293 A N 0.205 122.895 122.820 -0.216 0.000 1.933 293 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 293 A C 2.002 179.337 177.584 -0.414 0.000 1.175 293 A CA 1.976 53.719 52.037 -0.491 0.000 0.628 293 A CB -1.126 17.788 19.000 -0.143 0.000 0.814 293 A HN 0.583 nan 8.150 nan 0.000 0.444 294 E N -0.397 119.655 120.200 -0.246 0.000 2.077 294 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 294 E C 2.033 178.494 176.600 -0.231 0.000 0.989 294 E CA 1.084 57.366 56.400 -0.196 0.000 0.800 294 E CB -0.475 29.153 29.700 -0.120 0.000 0.746 294 E HN 0.492 nan 8.360 nan 0.000 0.452 295 G N 1.021 109.660 108.800 -0.269 0.000 2.442 295 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.219 295 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.219 295 G C 1.557 176.274 174.900 -0.305 0.000 1.141 295 G CA 0.928 45.879 45.100 -0.248 0.000 0.763 295 G HN 0.265 nan 8.290 nan 0.000 0.554 296 I N 1.004 121.278 120.570 -0.495 0.000 2.339 296 I HA -0.074 4.095 4.170 -0.001 0.000 0.245 296 I C 2.986 178.906 176.117 -0.328 0.000 1.096 296 I CA 1.439 62.453 61.300 -0.476 0.000 1.408 296 I CB -0.034 37.449 38.000 -0.862 0.000 1.092 296 I HN 0.337 nan 8.210 nan 0.000 0.423 297 S N -0.064 115.435 115.700 -0.334 0.000 2.503 297 S HA 0.166 4.635 4.470 -0.001 0.000 0.217 297 S C 1.737 176.248 174.600 -0.148 0.000 0.999 297 S CA 0.549 58.622 58.200 -0.211 0.000 0.914 297 S CB 0.558 63.634 63.200 -0.207 0.000 0.782 297 S HN 0.592 nan 8.310 nan 0.000 0.520 298 G N 0.436 109.145 108.800 -0.152 0.000 2.179 298 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.260 298 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.260 298 G C 0.055 174.891 174.900 -0.107 0.000 0.977 298 G CA 0.145 45.176 45.100 -0.115 0.000 0.641 298 G HN 0.755 nan 8.290 nan 0.000 0.533 299 V N 2.472 122.318 119.914 -0.114 0.000 2.461 299 V HA 0.408 4.527 4.120 -0.001 0.000 0.275 299 V C -1.482 174.557 176.094 -0.093 0.000 1.047 299 V CA -1.513 60.726 62.300 -0.101 0.000 0.955 299 V CB 1.330 33.093 31.823 -0.100 0.000 0.988 299 V HN 0.104 nan 8.190 nan 0.000 0.471 300 P HA -0.026 nan 4.420 nan 0.000 0.261 300 P C 0.700 177.962 177.300 -0.062 0.000 1.173 300 P CA 0.443 63.503 63.100 -0.067 0.000 0.760 300 P CB 0.604 32.269 31.700 -0.058 0.000 0.783 301 A N 4.525 127.313 122.820 -0.054 0.000 1.917 301 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 301 A C 2.019 179.583 177.584 -0.034 0.000 1.182 301 A CA 1.548 53.561 52.037 -0.040 0.000 0.633 301 A CB -0.896 18.086 19.000 -0.030 0.000 0.819 301 A HN 0.490 nan 8.150 nan 0.000 0.448 302 E N -0.600 119.579 120.200 -0.035 0.000 2.153 302 E HA -0.114 4.236 4.350 -0.001 0.000 0.194 302 E C 2.132 178.703 176.600 -0.048 0.000 0.988 302 E CA 1.549 57.928 56.400 -0.034 0.000 0.811 302 E CB -0.568 29.113 29.700 -0.030 0.000 0.746 302 E HN 0.627 nan 8.360 nan 0.000 0.466 303 T N 1.292 115.811 114.554 -0.057 0.000 2.777 303 T HA -0.045 4.304 4.350 -0.001 0.000 0.266 303 T C 2.086 176.730 174.700 -0.093 0.000 1.040 303 T CA 0.742 62.797 62.100 -0.075 0.000 1.141 303 T CB -0.122 68.700 68.868 -0.076 0.000 0.868 303 T HN 0.129 nan 8.240 nan 0.000 0.444 304 I N 0.811 121.336 120.570 -0.074 0.000 2.208 304 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 304 I C 2.477 178.553 176.117 -0.068 0.000 1.097 304 I CA 1.452 62.714 61.300 -0.063 0.000 1.363 304 I CB -0.304 37.681 38.000 -0.025 0.000 1.051 304 I HN 0.224 nan 8.210 nan 0.000 0.413 305 K N 0.624 120.995 120.400 -0.048 0.000 2.057 305 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 305 K C 2.018 178.570 176.600 -0.081 0.000 1.050 305 K CA 1.297 57.561 56.287 -0.039 0.000 0.935 305 K CB -0.131 32.360 32.500 -0.014 0.000 0.715 305 K HN 0.330 nan 8.250 nan 0.000 0.439 306 E N 0.597 120.740 120.200 -0.095 0.000 2.077 306 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 306 E C 1.897 178.372 176.600 -0.207 0.000 0.989 306 E CA 0.691 57.022 56.400 -0.115 0.000 0.800 306 E CB 0.059 29.705 29.700 -0.090 0.000 0.746 306 E HN 0.072 nan 8.360 nan 0.000 0.452 307 L N 0.690 121.737 121.223 -0.293 0.000 2.012 307 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 307 L C 2.434 178.797 176.870 -0.845 0.000 1.073 307 L CA 1.866 56.337 54.840 -0.616 0.000 0.748 307 L CB -1.566 40.124 42.059 -0.615 0.000 0.891 307 L HN 0.109 nan 8.230 nan 0.000 0.431 308 A N -0.238 122.314 122.820 -0.447 0.000 1.883 308 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 308 A C 2.436 179.946 177.584 -0.122 0.000 1.186 308 A CA 1.737 53.636 52.037 -0.230 0.000 0.624 308 A CB -0.498 18.474 19.000 -0.047 0.000 0.822 308 A HN 0.372 nan 8.150 nan 0.000 0.444 309 R N -1.197 119.241 120.500 -0.103 0.000 2.091 309 R HA -0.123 4.217 4.340 -0.001 0.000 0.238 309 R C 2.145 178.429 176.300 -0.027 0.000 1.136 309 R CA 1.434 57.510 56.100 -0.040 0.000 0.959 309 R CB -0.597 29.680 30.300 -0.038 0.000 0.856 309 R HN 0.513 nan 8.270 nan 0.000 0.437 310 L N 0.264 121.437 121.223 -0.083 0.000 2.017 310 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 310 L C 1.832 178.788 176.870 0.143 0.000 1.073 310 L CA 1.744 56.579 54.840 -0.009 0.000 0.745 310 L CB -0.403 41.623 42.059 -0.055 0.000 0.894 310 L HN -0.025 nan 8.230 nan 0.000 0.432 311 F N 0.155 120.116 119.950 0.019 0.000 2.216 311 F HA -0.115 4.411 4.527 -0.001 0.000 0.300 311 F C 2.611 178.421 175.800 0.017 0.000 1.085 311 F CA 1.299 59.312 58.000 0.022 0.000 1.326 311 F CB -1.190 37.839 39.000 0.049 0.000 1.027 311 F HN 0.285 nan 8.300 nan 0.000 0.497 312 E N 0.439 120.756 120.200 0.194 0.000 2.208 312 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 312 E C 2.052 178.695 176.600 0.072 0.000 0.988 312 E CA 1.264 57.733 56.400 0.115 0.000 0.828 312 E CB -0.195 29.562 29.700 0.094 0.000 0.763 312 E HN 0.213 nan 8.360 nan 0.000 0.478 313 S N -1.082 114.658 115.700 0.068 0.000 2.548 313 S HA 0.174 4.643 4.470 -0.001 0.000 0.215 313 S C 0.448 175.072 174.600 0.040 0.000 0.976 313 S CA -0.441 57.785 58.200 0.043 0.000 0.908 313 S CB 0.180 63.399 63.200 0.031 0.000 0.781 313 S HN -0.094 nan 8.310 nan 0.000 0.519 314 K N 1.200 121.633 120.400 0.054 0.000 2.395 314 K HA 0.420 4.739 4.320 -0.001 0.000 0.247 314 K C -1.010 175.604 176.600 0.023 0.000 0.973 314 K CA -0.874 55.436 56.287 0.038 0.000 0.828 314 K CB 1.429 33.959 32.500 0.051 0.000 1.272 314 K HN 0.050 nan 8.250 nan 0.000 0.439 315 R N 1.029 121.529 120.500 0.001 0.000 2.399 315 R HA 0.120 4.459 4.340 -0.001 0.000 0.324 315 R C -0.895 175.381 176.300 -0.039 0.000 1.030 315 R CA 0.664 56.751 56.100 -0.022 0.000 0.984 315 R CB -0.455 29.830 30.300 -0.025 0.000 0.961 315 R HN 0.464 nan 8.270 nan 0.000 0.433 316 T N 5.506 120.024 114.554 -0.060 0.000 2.824 316 T HA 0.402 4.752 4.350 -0.001 0.000 0.282 316 T C -0.818 173.793 174.700 -0.150 0.000 0.993 316 T CA -0.613 61.418 62.100 -0.114 0.000 0.967 316 T CB 1.207 69.997 68.868 -0.130 0.000 0.960 316 T HN 0.523 nan 8.240 nan 0.000 0.441 317 M N 4.282 123.769 119.600 -0.188 0.000 2.167 317 M HA 0.506 4.986 4.480 -0.001 0.000 0.333 317 M C -1.691 174.493 176.300 -0.193 0.000 1.030 317 M CA -0.930 54.267 55.300 -0.171 0.000 0.963 317 M CB 0.336 32.810 32.600 -0.211 0.000 1.589 317 M HN 0.479 nan 8.290 nan 0.000 0.431 318 L N 5.495 126.670 121.223 -0.081 0.000 2.270 318 L HA 0.631 4.971 4.340 -0.001 0.000 0.286 318 L C -0.105 176.830 176.870 0.108 0.000 1.059 318 L CA -0.687 54.147 54.840 -0.010 0.000 0.839 318 L CB 0.508 42.596 42.059 0.049 0.000 1.221 318 L HN 0.898 nan 8.230 nan 0.000 0.431 319 A N 3.480 126.334 122.820 0.057 0.000 2.260 319 A HA 0.778 5.097 4.320 -0.001 0.000 0.312 319 A C 0.095 177.857 177.584 0.295 0.000 1.321 319 A CA -0.308 51.854 52.037 0.208 0.000 0.928 319 A CB 0.661 19.696 19.000 0.058 0.000 1.158 319 A HN 0.703 nan 8.150 nan 0.000 0.542 320 A N 2.466 125.472 122.820 0.311 0.000 2.337 320 A HA 0.835 5.154 4.320 -0.001 0.000 0.329 320 A C 0.557 178.217 177.584 0.126 0.000 1.146 320 A CA 0.022 52.236 52.037 0.295 0.000 0.800 320 A CB 1.056 20.253 19.000 0.329 0.000 1.220 320 A HN 1.397 nan 8.150 nan 0.000 0.472 321 G N -0.542 108.242 108.800 -0.028 0.000 2.568 321 G HA2 0.459 4.418 3.960 -0.001 0.000 0.293 321 G HA3 0.459 4.418 3.960 -0.001 0.000 0.293 321 G C -0.122 174.825 174.900 0.078 0.000 1.347 321 G CA -0.305 44.477 45.100 -0.531 0.000 1.039 321 G HN 0.731 nan 8.290 nan 0.000 0.523 322 W N -0.237 121.081 121.300 0.030 0.000 3.103 322 W HA 0.154 4.813 4.660 -0.001 0.000 0.325 322 W C 2.413 179.030 176.519 0.162 0.000 1.170 322 W CA 0.104 57.543 57.345 0.157 0.000 1.712 322 W CB -0.987 28.561 29.460 0.146 0.000 1.068 322 W HN 0.623 nan 8.180 nan 0.000 0.592 323 S N 1.548 117.431 115.700 0.306 0.000 2.370 323 S HA -0.295 4.174 4.470 -0.001 0.000 0.226 323 S C 1.803 176.554 174.600 0.253 0.000 1.033 323 S CA 1.825 60.180 58.200 0.258 0.000 1.011 323 S CB -0.981 62.346 63.200 0.212 0.000 0.852 323 S HN 0.378 nan 8.310 nan 0.000 0.457 324 M N 0.732 120.476 119.600 0.240 0.000 2.632 324 M HA 0.061 4.540 4.480 -0.001 0.000 0.256 324 M C 1.453 177.860 176.300 0.178 0.000 1.080 324 M CA 1.446 56.857 55.300 0.185 0.000 1.084 324 M CB -0.650 32.026 32.600 0.126 0.000 1.439 324 M HN 0.467 nan 8.290 nan 0.000 0.509 325 Q N 0.530 120.482 119.800 0.253 0.000 2.194 325 Q HA 0.237 4.577 4.340 -0.001 0.000 0.214 325 Q C 0.962 177.071 176.000 0.181 0.000 0.838 325 Q CA 0.056 55.993 55.803 0.223 0.000 0.972 325 Q CB 0.002 28.924 28.738 0.307 0.000 1.131 325 Q HN 0.567 nan 8.270 nan 0.000 0.498 326 R N 0.938 121.558 120.500 0.200 0.000 3.782 326 R HA 0.457 4.796 4.340 -0.001 0.000 0.291 326 R C -0.935 175.460 176.300 0.159 0.000 1.539 326 R CA 0.127 56.333 56.100 0.178 0.000 1.345 326 R CB -0.040 30.396 30.300 0.228 0.000 1.408 326 R HN 0.278 nan 8.270 nan 0.000 0.654 327 M N -1.178 118.507 119.600 0.142 0.000 2.682 327 M HA 0.158 4.637 4.480 -0.001 0.000 0.272 327 M C -0.821 175.559 176.300 0.133 0.000 1.232 327 M CA -0.927 54.459 55.300 0.143 0.000 0.849 327 M CB 2.097 34.797 32.600 0.167 0.000 1.695 327 M HN 0.151 nan 8.290 nan 0.000 0.481 328 H N 0.610 119.661 119.070 -0.032 0.000 3.034 328 H HA 0.021 4.577 4.556 -0.001 0.000 0.324 328 H C -0.423 174.798 175.328 -0.177 0.000 1.015 328 H CA 1.470 57.406 56.048 -0.185 0.000 1.429 328 H CB 0.223 29.828 29.762 -0.262 0.000 1.429 328 H HN 0.784 nan 8.280 nan 0.000 0.585 329 H N 0.972 119.994 119.070 -0.081 0.000 2.862 329 H HA -0.167 4.388 4.556 -0.001 0.000 0.290 329 H C 1.554 176.873 175.328 -0.015 0.000 1.211 329 H CA 0.194 56.159 56.048 -0.139 0.000 1.140 329 H CB -1.369 28.211 29.762 -0.303 0.000 1.341 329 H HN 0.909 nan 8.280 nan 0.000 0.392 330 G N 0.414 109.286 108.800 0.121 0.000 2.448 330 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.219 330 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.219 330 G C 1.366 176.350 174.900 0.141 0.000 1.127 330 G CA 1.153 46.330 45.100 0.129 0.000 0.766 330 G HN 0.474 nan 8.290 nan 0.000 0.552 331 E N 0.583 120.865 120.200 0.136 0.000 2.209 331 E HA -0.116 4.234 4.350 -0.001 0.000 0.196 331 E C 2.615 179.345 176.600 0.215 0.000 0.993 331 E CA 0.931 57.422 56.400 0.152 0.000 0.819 331 E CB -0.077 29.703 29.700 0.133 0.000 0.745 331 E HN 0.343 nan 8.360 nan 0.000 0.477 332 Q N -0.110 119.799 119.800 0.183 0.000 2.224 332 Q HA 0.002 4.341 4.340 -0.001 0.000 0.203 332 Q C 2.168 178.233 176.000 0.109 0.000 0.970 332 Q CA 1.258 57.160 55.803 0.165 0.000 0.865 332 Q CB -0.340 28.446 28.738 0.079 0.000 0.922 332 Q HN 0.350 nan 8.270 nan 0.000 0.445 333 A N 0.629 123.476 122.820 0.046 0.000 1.858 333 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 333 A C 1.614 179.040 177.584 -0.262 0.000 1.190 333 A CA 1.735 53.691 52.037 -0.134 0.000 0.617 333 A CB -0.761 18.114 19.000 -0.207 0.000 0.827 333 A HN 0.432 nan 8.150 nan 0.000 0.443 334 H N -3.616 115.466 119.070 0.020 0.000 2.512 334 H HA -0.038 4.518 4.556 -0.001 0.000 0.279 334 H C 1.612 176.942 175.328 0.003 0.000 0.999 334 H CA 0.829 56.859 56.048 -0.029 0.000 1.283 334 H CB -0.009 29.752 29.762 -0.003 0.000 1.421 334 H HN 0.708 nan 8.280 nan 0.000 0.554 335 W N 1.080 122.350 121.300 -0.051 0.000 2.381 335 W HA -0.147 4.512 4.660 -0.002 0.000 0.301 335 W C 2.038 178.468 176.519 -0.149 0.000 1.205 335 W CA 1.145 58.431 57.345 -0.098 0.000 1.285 335 W CB -0.504 28.910 29.460 -0.077 0.000 1.133 335 W HN 0.189 nan 8.180 nan 0.000 0.521 336 M N 0.081 119.702 119.600 0.035 0.000 2.254 336 M HA -0.087 4.392 4.480 -0.001 0.000 0.265 336 M C 2.067 178.285 176.300 -0.137 0.000 1.066 336 M CA 1.439 56.676 55.300 -0.106 0.000 1.123 336 M CB -1.154 31.411 32.600 -0.058 0.000 1.388 336 M HN -0.015 nan 8.290 nan 0.000 0.425 337 L N -0.794 120.312 121.223 -0.196 0.000 2.046 337 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 337 L C 2.050 178.761 176.870 -0.266 0.000 1.077 337 L CA 1.414 56.089 54.840 -0.276 0.000 0.747 337 L CB -0.541 41.323 42.059 -0.325 0.000 0.896 337 L HN 0.161 nan 8.230 nan 0.000 0.432 338 V N -0.973 118.756 119.914 -0.308 0.000 2.427 338 V HA -0.256 3.863 4.120 -0.001 0.000 0.248 338 V C 2.429 178.412 176.094 -0.184 0.000 1.051 338 V CA 2.089 64.128 62.300 -0.434 0.000 1.048 338 V CB -0.823 30.727 31.823 -0.455 0.000 0.666 338 V HN 0.532 nan 8.190 nan 0.000 0.456 339 T N 0.511 115.002 114.554 -0.106 0.000 2.746 339 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 339 T C 1.892 176.572 174.700 -0.033 0.000 1.039 339 T CA 1.794 63.840 62.100 -0.088 0.000 1.142 339 T CB -0.312 68.399 68.868 -0.262 0.000 0.866 339 T HN 0.308 nan 8.240 nan 0.000 0.444 340 L N 1.511 122.714 121.223 -0.034 0.000 2.017 340 L HA 0.092 4.432 4.340 -0.001 0.000 0.208 340 L C 2.608 179.486 176.870 0.013 0.000 1.073 340 L CA 1.900 56.760 54.840 0.033 0.000 0.745 340 L CB -1.010 41.078 42.059 0.050 0.000 0.894 340 L HN 0.221 nan 8.230 nan 0.000 0.432 341 A N -1.565 121.227 122.820 -0.047 0.000 1.972 341 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 341 A C 2.368 179.891 177.584 -0.102 0.000 1.169 341 A CA 1.917 53.922 52.037 -0.053 0.000 0.635 341 A CB -0.831 18.155 19.000 -0.023 0.000 0.810 341 A HN 0.549 nan 8.150 nan 0.000 0.446 342 S N -0.421 115.244 115.700 -0.058 0.000 2.383 342 S HA -0.107 4.362 4.470 -0.001 0.000 0.227 342 S C 1.954 176.543 174.600 -0.018 0.000 1.026 342 S CA 1.634 59.827 58.200 -0.012 0.000 0.981 342 S CB -0.368 62.954 63.200 0.204 0.000 0.818 342 S HN 0.609 nan 8.310 nan 0.000 0.472 343 M N 0.874 120.485 119.600 0.019 0.000 2.213 343 M HA -0.017 4.462 4.480 -0.001 0.000 0.263 343 M C 1.735 178.078 176.300 0.071 0.000 1.062 343 M CA 1.201 56.538 55.300 0.062 0.000 1.105 343 M CB -0.562 32.072 32.600 0.057 0.000 1.385 343 M HN 0.247 nan 8.290 nan 0.000 0.417 344 L N -0.452 120.773 121.223 0.005 0.000 2.217 344 L HA 0.008 4.347 4.340 -0.001 0.000 0.211 344 L C 1.515 178.314 176.870 -0.118 0.000 1.107 344 L CA 0.711 55.545 54.840 -0.009 0.000 0.783 344 L CB -0.922 41.139 42.059 0.003 0.000 0.919 344 L HN 0.613 nan 8.230 nan 0.000 0.442 345 G N 0.228 108.837 108.800 -0.318 0.000 2.176 345 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.252 345 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.252 345 G C 0.544 175.118 174.900 -0.542 0.000 1.024 345 G CA 0.477 45.216 45.100 -0.601 0.000 0.755 345 G HN 0.539 nan 8.290 nan 0.000 0.507 346 Q N -0.915 118.639 119.800 -0.411 0.000 2.219 346 Q HA 0.390 4.730 4.340 -0.001 0.000 0.209 346 Q C 1.071 176.930 176.000 -0.235 0.000 0.854 346 Q CA -0.360 55.291 55.803 -0.253 0.000 0.960 346 Q CB 0.922 29.575 28.738 -0.142 0.000 1.116 346 Q HN 0.683 nan 8.270 nan 0.000 0.500 347 I N 1.173 121.536 120.570 -0.344 0.000 2.668 347 I HA -0.039 4.131 4.170 -0.001 0.000 0.285 347 I C 1.210 177.311 176.117 -0.027 0.000 1.168 347 I CA 1.061 62.268 61.300 -0.155 0.000 1.424 347 I CB 0.441 38.372 38.000 -0.115 0.000 1.377 347 I HN 0.478 nan 8.210 nan 0.000 0.560 348 G N 5.160 113.976 108.800 0.027 0.000 2.195 348 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.246 348 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.246 348 G C 0.105 174.994 174.900 -0.017 0.000 0.984 348 G CA -0.493 44.647 45.100 0.066 0.000 0.633 348 G HN 0.449 nan 8.290 nan 0.000 0.525 349 L N 2.065 123.258 121.223 -0.050 0.000 2.379 349 L HA 0.461 4.800 4.340 -0.001 0.000 0.269 349 L C -1.677 175.156 176.870 -0.063 0.000 1.084 349 L CA -2.283 52.525 54.840 -0.054 0.000 0.802 349 L CB 0.929 42.953 42.059 -0.059 0.000 1.175 349 L HN -0.103 nan 8.230 nan 0.000 0.448 350 P HA 0.038 nan 4.420 nan 0.000 0.266 350 P C 0.719 177.990 177.300 -0.049 0.000 1.215 350 P CA 0.583 63.652 63.100 -0.053 0.000 0.763 350 P CB 0.737 32.417 31.700 -0.032 0.000 0.806 351 G N 2.205 110.971 108.800 -0.058 0.000 2.179 351 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.260 351 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.260 351 G C 0.437 175.291 174.900 -0.078 0.000 0.977 351 G CA -0.070 44.993 45.100 -0.062 0.000 0.641 351 G HN 0.912 nan 8.290 nan 0.000 0.533 352 G N -1.839 106.914 108.800 -0.078 0.000 2.644 352 G HA2 0.901 4.860 3.960 -0.001 0.000 0.307 352 G HA3 0.901 4.860 3.960 -0.001 0.000 0.307 352 G C 0.731 175.581 174.900 -0.083 0.000 1.250 352 G CA 0.931 45.981 45.100 -0.083 0.000 0.996 352 G HN 1.880 nan 8.290 nan 0.000 0.489 353 G N -0.933 107.827 108.800 -0.068 0.000 2.594 353 G HA2 0.399 4.358 3.960 -0.001 0.000 0.217 353 G HA3 0.399 4.358 3.960 -0.001 0.000 0.217 353 G C -0.302 174.656 174.900 0.098 0.000 1.163 353 G CA 0.335 45.427 45.100 -0.014 0.000 1.074 353 G HN 2.073 nan 8.290 nan 0.000 0.589 354 F N -0.830 119.103 119.950 -0.028 0.000 2.643 354 F HA 0.879 5.405 4.527 -0.001 0.000 0.314 354 F C 0.073 175.922 175.800 0.081 0.000 1.096 354 F CA -0.577 57.432 58.000 0.015 0.000 0.953 354 F CB 1.609 40.611 39.000 0.003 0.000 1.345 354 F HN 1.554 nan 8.300 nan 0.000 0.468 355 G N 1.046 109.969 108.800 0.205 0.000 2.753 355 G HA2 0.518 4.477 3.960 -0.001 0.000 0.295 355 G HA3 0.518 4.477 3.960 -0.001 0.000 0.295 355 G C -1.243 173.784 174.900 0.211 0.000 1.437 355 G CA -0.877 44.252 45.100 0.050 0.000 1.094 355 G HN 0.859 nan 8.290 nan 0.000 0.540 356 L N 1.102 122.429 121.223 0.173 0.000 2.769 356 L HA 0.339 4.679 4.340 -0.001 0.000 0.240 356 L C 1.412 178.499 176.870 0.363 0.000 1.163 356 L CA 0.079 55.111 54.840 0.320 0.000 0.962 356 L CB 1.095 43.350 42.059 0.327 0.000 1.258 356 L HN 0.511 nan 8.230 nan 0.000 0.513 357 S N -1.553 114.205 115.700 0.097 0.000 3.073 357 S HA 0.215 4.685 4.470 -0.001 0.000 0.252 357 S C 0.702 175.252 174.600 -0.083 0.000 0.953 357 S CA -0.385 57.846 58.200 0.053 0.000 1.105 357 S CB 0.115 63.386 63.200 0.119 0.000 1.070 357 S HN 0.275 nan 8.310 nan 0.000 0.574 358 Y N 1.437 121.824 120.300 0.145 0.000 2.561 358 Y HA 0.077 4.627 4.550 -0.001 0.000 0.291 358 Y C 2.235 178.303 175.900 0.279 0.000 1.141 358 Y CA 1.075 59.259 58.100 0.140 0.000 1.303 358 Y CB -0.070 38.455 38.460 0.108 0.000 1.015 358 Y HN 0.622 nan 8.280 nan 0.000 0.547 359 H N -3.166 116.017 119.070 0.188 0.000 2.652 359 H HA 0.150 4.705 4.556 -0.001 0.000 0.274 359 H C -0.873 174.499 175.328 0.073 0.000 1.021 359 H CA -0.168 55.924 56.048 0.074 0.000 1.187 359 H CB -0.488 29.242 29.762 -0.053 0.000 1.505 359 H HN 0.295 nan 8.280 nan 0.000 0.530 360 Y N 1.146 121.151 120.300 -0.492 0.000 2.386 360 Y HA 0.399 4.949 4.550 -0.001 0.000 0.334 360 Y C 0.111 176.081 175.900 0.118 0.000 1.002 360 Y CA -0.710 57.222 58.100 -0.280 0.000 1.068 360 Y CB 1.509 39.636 38.460 -0.554 0.000 1.203 360 Y HN 0.177 nan 8.280 nan 0.000 0.443 361 S N 3.937 119.415 115.700 -0.370 0.000 3.581 361 S HA -0.205 4.264 4.470 -0.001 0.000 0.354 361 S C 1.081 175.770 174.600 0.149 0.000 1.059 361 S CA 1.617 59.685 58.200 -0.220 0.000 1.060 361 S CB -1.775 61.092 63.200 -0.555 0.000 0.908 361 S HN 2.178 nan 8.310 nan 0.000 0.475 362 G N -0.404 108.520 108.800 0.207 0.000 2.159 362 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.256 362 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.256 362 G C 0.459 175.557 174.900 0.329 0.000 0.977 362 G CA 0.185 45.468 45.100 0.306 0.000 0.652 362 G HN 1.751 nan 8.290 nan 0.000 0.531 363 G N -0.772 108.128 108.800 0.168 0.000 2.178 363 G HA2 0.458 4.417 3.960 -0.001 0.000 0.244 363 G HA3 0.458 4.417 3.960 -0.001 0.000 0.244 363 G C 1.518 176.279 174.900 -0.232 0.000 1.213 363 G CA 1.744 46.584 45.100 -0.434 0.000 0.912 363 G HN 1.960 nan 8.290 nan 0.000 0.474 364 G N 1.643 110.277 108.800 -0.278 0.000 2.232 364 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.226 364 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.226 364 G C 0.620 175.618 174.900 0.163 0.000 0.996 364 G CA 0.345 45.321 45.100 -0.207 0.000 0.626 364 G HN 1.129 nan 8.290 nan 0.000 0.509 365 T N 3.955 118.703 114.554 0.322 0.000 2.870 365 T HA 0.469 4.819 4.350 -0.001 0.000 0.300 365 T C -2.121 172.722 174.700 0.239 0.000 0.989 365 T CA -0.353 61.970 62.100 0.372 0.000 1.139 365 T CB 1.418 70.481 68.868 0.326 0.000 0.920 365 T HN 0.111 nan 8.240 nan 0.000 0.537 366 P HA 0.065 nan 4.420 nan 0.000 0.261 366 P C -0.423 176.959 177.300 0.137 0.000 1.173 366 P CA 0.137 63.335 63.100 0.164 0.000 0.760 366 P CB 0.341 32.139 31.700 0.163 0.000 0.783 367 S N 1.417 117.172 115.700 0.090 0.000 2.584 367 S HA 0.346 4.815 4.470 -0.001 0.000 0.273 367 S C 0.735 175.380 174.600 0.076 0.000 1.311 367 S CA -0.441 57.803 58.200 0.074 0.000 1.034 367 S CB 0.234 63.435 63.200 0.003 0.000 0.939 367 S HN 0.579 nan 8.310 nan 0.000 0.513 368 T N -0.740 113.873 114.554 0.097 0.000 2.810 368 T HA 0.332 4.681 4.350 -0.001 0.000 0.277 368 T C 1.017 175.733 174.700 0.025 0.000 0.973 368 T CA -0.344 61.817 62.100 0.102 0.000 0.949 368 T CB 0.734 69.725 68.868 0.204 0.000 1.075 368 T HN 0.491 nan 8.240 nan 0.000 0.537 369 S N -1.293 114.406 115.700 -0.002 0.000 2.614 369 S HA 0.377 4.847 4.470 -0.001 0.000 0.230 369 S C 1.079 175.540 174.600 -0.231 0.000 0.952 369 S CA -0.497 57.655 58.200 -0.079 0.000 0.949 369 S CB -0.695 62.479 63.200 -0.043 0.000 0.786 369 S HN 1.103 nan 8.310 nan 0.000 0.478 370 G N 2.910 111.453 108.800 -0.429 0.000 2.636 370 G HA2 0.475 4.434 3.960 -0.001 0.000 0.246 370 G HA3 0.475 4.434 3.960 -0.001 0.000 0.246 370 G C -2.444 172.041 174.900 -0.690 0.000 1.216 370 G CA -1.193 43.219 45.100 -1.147 0.000 0.854 370 G HN 0.327 nan 8.290 nan 0.000 0.572 371 P HA 0.440 nan 4.420 nan 0.000 0.278 371 P C -0.476 176.703 177.300 -0.202 0.000 1.266 371 P CA -0.320 62.584 63.100 -0.326 0.000 0.807 371 P CB 1.215 32.758 31.700 -0.261 0.000 1.094 372 A N 1.089 123.839 122.820 -0.116 0.000 2.304 372 A HA 0.518 4.837 4.320 -0.001 0.000 0.301 372 A C -0.612 176.948 177.584 -0.039 0.000 1.132 372 A CA -0.499 51.503 52.037 -0.059 0.000 0.819 372 A CB -0.057 18.907 19.000 -0.060 0.000 1.094 372 A HN 0.551 nan 8.150 nan 0.000 0.492 373 L N 1.856 123.070 121.223 -0.015 0.000 2.295 373 L HA 0.743 5.083 4.340 -0.001 0.000 0.285 373 L C 0.254 177.084 176.870 -0.068 0.000 1.035 373 L CA 0.115 54.946 54.840 -0.014 0.000 0.806 373 L CB 1.162 43.236 42.059 0.024 0.000 1.214 373 L HN 0.869 nan 8.230 nan 0.000 0.426 374 A N 3.074 125.838 122.820 -0.094 0.000 2.322 374 A HA 0.959 5.278 4.320 -0.001 0.000 0.327 374 A C -0.078 177.234 177.584 -0.453 0.000 1.134 374 A CA 0.072 52.002 52.037 -0.178 0.000 0.831 374 A CB 1.216 20.157 19.000 -0.099 0.000 1.288 374 A HN 0.909 nan 8.150 nan 0.000 0.472 375 G N -0.928 107.510 108.800 -0.603 0.000 3.222 375 G HA2 0.523 4.483 3.960 -0.001 0.000 0.263 375 G HA3 0.523 4.483 3.960 -0.001 0.000 0.263 375 G C -0.568 173.882 174.900 -0.750 0.000 1.312 375 G CA -0.742 43.638 45.100 -1.200 0.000 0.934 375 G HN 0.882 nan 8.290 nan 0.000 0.577 376 I N 1.073 121.274 120.570 -0.615 0.000 2.754 376 I HA 0.337 4.506 4.170 -0.001 0.000 0.285 376 I C 1.108 177.065 176.117 -0.266 0.000 1.166 376 I CA 0.026 61.123 61.300 -0.337 0.000 1.417 376 I CB 1.103 38.787 38.000 -0.526 0.000 1.382 376 I HN 0.686 nan 8.210 nan 0.000 0.588 377 T N 1.273 115.714 114.554 -0.188 0.000 2.919 377 T HA 0.344 4.693 4.350 -0.001 0.000 0.282 377 T C 0.288 174.893 174.700 -0.160 0.000 1.020 377 T CA -0.256 61.760 62.100 -0.141 0.000 0.994 377 T CB 1.431 70.257 68.868 -0.070 0.000 1.180 377 T HN 0.650 nan 8.240 nan 0.000 0.566 378 D N -1.662 118.667 120.400 -0.119 0.000 2.340 378 D HA 0.292 4.931 4.640 -0.001 0.000 0.220 378 D C 1.653 177.909 176.300 -0.073 0.000 1.039 378 D CA 0.434 54.363 54.000 -0.118 0.000 0.866 378 D CB -0.492 40.257 40.800 -0.085 0.000 0.913 378 D HN 1.120 nan 8.370 nan 0.000 0.523 379 G N -0.439 108.330 108.800 -0.051 0.000 2.234 379 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.260 379 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.260 379 G C 0.833 175.731 174.900 -0.004 0.000 0.987 379 G CA 0.119 45.207 45.100 -0.020 0.000 0.625 379 G HN 0.794 nan 8.290 nan 0.000 0.532 394 A N -0.160 122.717 122.820 0.096 0.000 2.466 394 A HA 0.541 4.860 4.320 -0.001 0.000 0.238 394 A C 1.618 179.256 177.584 0.091 0.000 1.074 394 A CA 0.849 52.943 52.037 0.095 0.000 0.774 394 A CB 0.364 19.471 19.000 0.179 0.000 1.015 394 A HN 1.997 nan 8.150 nan 0.000 0.498 395 S N -0.076 115.655 115.700 0.052 0.000 2.524 395 S HA 0.309 4.778 4.470 -0.001 0.000 0.216 395 S C 0.180 174.800 174.600 0.033 0.000 0.987 395 S CA 0.440 58.649 58.200 0.014 0.000 0.909 395 S CB -0.262 62.911 63.200 -0.045 0.000 0.781 395 S HN 0.686 nan 8.310 nan 0.000 0.521 396 V N 2.575 122.536 119.914 0.079 0.000 2.808 396 V HA 0.612 4.732 4.120 -0.001 0.000 0.308 396 V C -0.606 175.557 176.094 0.114 0.000 1.099 396 V CA -1.084 61.267 62.300 0.085 0.000 0.920 396 V CB 1.720 33.574 31.823 0.052 0.000 1.014 396 V HN 0.515 nan 8.190 nan 0.000 0.425 397 I N 1.496 122.107 120.570 0.069 0.000 2.689 397 I HA 0.781 4.950 4.170 -0.001 0.000 0.299 397 I C -2.855 173.151 176.117 -0.186 0.000 1.059 397 I CA -2.871 58.386 61.300 -0.071 0.000 1.055 397 I CB 2.433 40.379 38.000 -0.091 0.000 1.243 397 I HN 0.344 nan 8.210 nan 0.000 0.425 398 P HA -0.026 nan 4.420 nan 0.000 0.264 398 P C 1.214 178.376 177.300 -0.229 0.000 1.183 398 P CA -0.287 62.566 63.100 -0.412 0.000 0.763 398 P CB 0.743 32.130 31.700 -0.522 0.000 0.807 399 V N 1.833 121.641 119.914 -0.178 0.000 2.392 399 V HA -0.252 3.868 4.120 -0.001 0.000 0.249 399 V C 1.790 177.797 176.094 -0.145 0.000 1.059 399 V CA 2.085 64.331 62.300 -0.090 0.000 1.051 399 V CB -2.049 29.712 31.823 -0.104 0.000 0.658 399 V HN 0.513 nan 8.190 nan 0.000 0.455 400 A N -0.307 122.322 122.820 -0.319 0.000 2.238 400 A HA 0.159 4.478 4.320 -0.001 0.000 0.208 400 A C 1.924 179.499 177.584 -0.015 0.000 1.177 400 A CA 0.207 52.149 52.037 -0.159 0.000 0.804 400 A CB -0.405 18.413 19.000 -0.302 0.000 0.823 400 A HN 0.468 nan 8.150 nan 0.000 0.482 401 R N -0.531 119.893 120.500 -0.127 0.000 2.391 401 R HA 0.093 4.432 4.340 -0.001 0.000 0.249 401 R C 1.445 177.585 176.300 -0.267 0.000 0.957 401 R CA 0.305 56.310 56.100 -0.158 0.000 1.093 401 R CB -0.669 29.521 30.300 -0.182 0.000 1.156 401 R HN 0.384 nan 8.270 nan 0.000 0.526 402 V N 0.378 120.135 119.914 -0.261 0.000 2.332 402 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 402 V C 1.956 177.810 176.094 -0.400 0.000 1.055 402 V CA 1.770 63.833 62.300 -0.394 0.000 1.038 402 V CB 0.051 31.704 31.823 -0.284 0.000 0.651 402 V HN 0.076 nan 8.190 nan 0.000 0.450 403 V N 0.017 119.750 119.914 -0.303 0.000 2.488 403 V HA -0.132 3.987 4.120 -0.001 0.000 0.246 403 V C 2.309 178.236 176.094 -0.277 0.000 1.046 403 V CA 2.005 64.178 62.300 -0.210 0.000 1.053 403 V CB -0.657 31.139 31.823 -0.046 0.000 0.679 403 V HN 0.574 nan 8.190 nan 0.000 0.458 404 D N -0.223 119.988 120.400 -0.315 0.000 2.104 404 D HA -0.246 4.393 4.640 -0.001 0.000 0.194 404 D C 2.060 177.851 176.300 -0.848 0.000 0.994 404 D CA 1.769 55.509 54.000 -0.434 0.000 0.830 404 D CB -0.252 40.353 40.800 -0.326 0.000 0.959 404 D HN 0.384 nan 8.370 nan 0.000 0.452 405 M N 0.236 119.149 119.600 -1.145 0.000 2.082 405 M HA -0.195 4.284 4.480 -0.001 0.000 0.258 405 M C 2.051 177.960 176.300 -0.651 0.000 1.069 405 M CA 1.411 55.955 55.300 -1.260 0.000 1.102 405 M CB -0.060 32.067 32.600 -0.789 0.000 1.336 405 M HN -0.018 nan 8.290 nan 0.000 0.404 406 L N -0.307 120.621 121.223 -0.491 0.000 2.093 406 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 406 L C 2.153 178.863 176.870 -0.265 0.000 1.085 406 L CA 1.397 56.022 54.840 -0.358 0.000 0.755 406 L CB -0.709 41.136 42.059 -0.356 0.000 0.904 406 L HN 0.375 nan 8.230 nan 0.000 0.435 407 E N -0.106 119.941 120.200 -0.256 0.000 2.285 407 E HA -0.045 4.304 4.350 -0.001 0.000 0.194 407 E C 0.231 176.746 176.600 -0.141 0.000 0.997 407 E CA 0.461 56.761 56.400 -0.167 0.000 0.845 407 E CB 0.194 29.815 29.700 -0.132 0.000 0.782 407 E HN 0.433 nan 8.360 nan 0.000 0.491 408 N N 1.200 119.788 118.700 -0.187 0.000 2.679 408 N HA 0.143 4.883 4.740 -0.001 0.000 0.302 408 N C -2.753 172.768 175.510 0.018 0.000 1.941 408 N CA -0.920 52.093 53.050 -0.062 0.000 0.875 408 N CB 1.193 39.688 38.487 0.013 0.000 1.278 408 N HN 0.053 nan 8.380 nan 0.000 0.490 409 P HA 0.060 nan 4.420 nan 0.000 0.264 409 P C 1.024 178.385 177.300 0.103 0.000 1.193 409 P CA 1.015 64.141 63.100 0.043 0.000 0.763 409 P CB 0.800 32.490 31.700 -0.017 0.000 0.810 410 G N 1.749 110.643 108.800 0.157 0.000 2.225 410 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.254 410 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.254 410 G C 0.395 175.378 174.900 0.138 0.000 0.988 410 G CA 0.148 45.322 45.100 0.123 0.000 0.625 410 G HN 0.893 nan 8.290 nan 0.000 0.527 411 A N 0.094 123.048 122.820 0.223 0.000 2.304 411 A HA 0.677 4.997 4.320 -0.001 0.000 0.271 411 A C 0.366 178.018 177.584 0.114 0.000 1.091 411 A CA 0.092 52.244 52.037 0.191 0.000 0.812 411 A CB 0.428 19.580 19.000 0.253 0.000 1.056 411 A HN 0.464 nan 8.150 nan 0.000 0.489 412 E N -0.460 119.757 120.200 0.028 0.000 2.319 412 E HA 0.531 4.880 4.350 -0.001 0.000 0.268 412 E C -1.137 175.414 176.600 -0.081 0.000 1.050 412 E CA -0.043 56.299 56.400 -0.098 0.000 0.878 412 E CB 1.172 30.814 29.700 -0.097 0.000 1.066 412 E HN 0.532 nan 8.360 nan 0.000 0.406 413 F N -1.157 118.599 119.950 -0.323 0.000 2.599 413 F HA 0.483 5.009 4.527 -0.001 0.000 0.311 413 F C -0.742 174.981 175.800 -0.129 0.000 1.076 413 F CA -1.286 56.556 58.000 -0.264 0.000 0.937 413 F CB 1.124 39.848 39.000 -0.460 0.000 1.282 413 F HN 0.111 nan 8.300 nan 0.000 0.460 414 D N 1.725 122.152 120.400 0.046 0.000 2.225 414 D HA 0.416 5.056 4.640 -0.001 0.000 0.249 414 D C -1.601 174.826 176.300 0.210 0.000 1.052 414 D CA 0.217 54.228 54.000 0.019 0.000 0.909 414 D CB 2.369 43.131 40.800 -0.063 0.000 1.186 414 D HN 0.583 nan 8.370 nan 0.000 0.431 415 F N 2.439 122.396 119.950 0.011 0.000 2.881 415 F HA 0.140 4.666 4.527 -0.001 0.000 0.348 415 F C -0.140 175.718 175.800 0.097 0.000 1.240 415 F CA -0.879 57.167 58.000 0.077 0.000 1.130 415 F CB 0.371 39.478 39.000 0.178 0.000 1.417 415 F HN 0.221 nan 8.300 nan 0.000 0.585 416 N N 4.179 122.665 118.700 -0.356 0.000 2.714 416 N HA -0.164 4.575 4.740 -0.001 0.000 0.252 416 N C 0.911 176.362 175.510 -0.098 0.000 1.014 416 N CA 2.217 55.080 53.050 -0.311 0.000 0.735 416 N CB -0.961 37.066 38.487 -0.767 0.000 0.924 416 N HN 1.819 nan 8.380 nan 0.000 0.540 417 G N -2.589 106.258 108.800 0.079 0.000 2.195 417 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.246 417 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.246 417 G C 0.136 175.030 174.900 -0.009 0.000 0.984 417 G CA 1.063 46.151 45.100 -0.019 0.000 0.633 417 G HN 1.460 nan 8.290 nan 0.000 0.525 418 T N -2.127 112.432 114.554 0.008 0.000 2.908 418 T HA 0.777 5.127 4.350 -0.001 0.000 0.290 418 T C -0.432 174.230 174.700 -0.064 0.000 1.034 418 T CA -0.811 61.272 62.100 -0.028 0.000 1.010 418 T CB 2.556 71.404 68.868 -0.032 0.000 1.068 418 T HN 0.329 nan 8.240 nan 0.000 0.481 419 R N 1.523 121.944 120.500 -0.132 0.000 2.437 419 R HA 0.716 5.055 4.340 -0.001 0.000 0.310 419 R C -0.804 175.283 176.300 -0.356 0.000 0.955 419 R CA -0.606 55.352 56.100 -0.237 0.000 0.851 419 R CB 2.146 32.359 30.300 -0.145 0.000 1.161 419 R HN 0.830 nan 8.270 nan 0.000 0.446 420 S N 1.570 116.864 115.700 -0.676 0.000 2.697 420 S HA 0.512 4.982 4.470 -0.001 0.000 0.289 420 S C -1.037 173.210 174.600 -0.590 0.000 1.149 420 S CA -0.957 56.874 58.200 -0.614 0.000 0.850 420 S CB 2.394 65.199 63.200 -0.659 0.000 1.151 420 S HN 0.360 nan 8.310 nan 0.000 0.491 421 K N 0.411 120.656 120.400 -0.257 0.000 2.207 421 K HA 0.521 4.841 4.320 -0.001 0.000 0.255 421 K C -1.359 175.302 176.600 0.103 0.000 0.941 421 K CA -0.501 55.737 56.287 -0.083 0.000 0.825 421 K CB 0.951 33.440 32.500 -0.018 0.000 1.119 421 K HN 0.347 nan 8.250 nan 0.000 0.430 422 F N 3.649 123.747 119.950 0.246 0.000 2.484 422 F HA 0.155 4.681 4.527 -0.001 0.000 0.360 422 F C -1.532 174.308 175.800 0.066 0.000 1.101 422 F CA -1.819 56.273 58.000 0.155 0.000 1.251 422 F CB 0.109 39.134 39.000 0.043 0.000 1.132 422 F HN 0.338 nan 8.300 nan 0.000 0.570 423 P HA 0.046 nan 4.420 nan 0.000 0.276 423 P C -0.871 176.468 177.300 0.065 0.000 1.244 423 P CA -0.371 62.807 63.100 0.130 0.000 0.801 423 P CB 0.944 32.714 31.700 0.117 0.000 1.006 424 D N 1.302 121.717 120.400 0.025 0.000 2.500 424 D HA 0.203 4.842 4.640 -0.001 0.000 0.219 424 D C -0.567 175.673 176.300 -0.100 0.000 1.137 424 D CA -0.409 53.567 54.000 -0.040 0.000 0.946 424 D CB -0.348 40.437 40.800 -0.025 0.000 1.022 424 D HN -0.105 nan 8.370 nan 0.000 0.518 425 V N 4.583 124.424 119.914 -0.122 0.000 2.649 425 V HA 0.199 4.319 4.120 -0.001 0.000 0.292 425 V C 1.280 177.249 176.094 -0.209 0.000 1.055 425 V CA -0.087 62.134 62.300 -0.132 0.000 1.023 425 V CB 1.663 33.409 31.823 -0.128 0.000 0.992 425 V HN 0.410 nan 8.190 nan 0.000 0.480 426 K N 3.397 123.671 120.400 -0.210 0.000 2.464 426 K HA 0.364 4.683 4.320 -0.001 0.000 0.206 426 K C -0.075 176.477 176.600 -0.079 0.000 1.186 426 K CA 0.227 56.377 56.287 -0.229 0.000 0.990 426 K CB 0.982 33.220 32.500 -0.437 0.000 1.003 426 K HN 0.679 nan 8.250 nan 0.000 0.562 427 M N 0.340 119.940 119.600 0.000 0.000 2.446 427 M HA 0.586 5.065 4.480 -0.001 0.000 0.294 427 M C -1.993 174.399 176.300 0.154 0.000 1.158 427 M CA -0.632 54.724 55.300 0.093 0.000 0.899 427 M CB 2.513 35.208 32.600 0.159 0.000 1.687 427 M HN -0.040 nan 8.290 nan 0.000 0.455 428 A N 2.995 125.963 122.820 0.246 0.000 2.371 428 A HA 0.743 5.062 4.320 -0.001 0.000 0.311 428 A C -2.404 175.522 177.584 0.570 0.000 1.068 428 A CA -0.406 51.881 52.037 0.416 0.000 0.744 428 A CB 1.336 20.591 19.000 0.426 0.000 1.239 428 A HN 0.812 nan 8.150 nan 0.000 0.435 429 Y N 2.183 122.683 120.300 0.333 0.000 2.326 429 Y HA 0.537 5.086 4.550 -0.001 0.000 0.331 429 Y C -1.333 174.707 175.900 0.233 0.000 0.962 429 Y CA -1.525 56.727 58.100 0.253 0.000 1.167 429 Y CB 1.030 39.553 38.460 0.105 0.000 1.148 429 Y HN 0.699 nan 8.280 nan 0.000 0.463 430 W N 8.016 129.593 121.300 0.461 0.000 2.587 430 W HA 0.657 5.316 4.660 -0.001 0.000 0.324 430 W C -1.420 175.235 176.519 0.226 0.000 1.040 430 W CA -0.803 56.756 57.345 0.355 0.000 1.222 430 W CB 1.808 31.544 29.460 0.459 0.000 1.381 430 W HN 0.431 nan 8.180 nan 0.000 0.483 431 V N 1.455 121.586 119.914 0.361 0.000 2.925 431 V HA 0.871 4.990 4.120 -0.001 0.000 0.311 431 V C 0.437 176.712 176.094 0.301 0.000 1.104 431 V CA -0.324 62.134 62.300 0.264 0.000 0.954 431 V CB 1.198 33.091 31.823 0.118 0.000 1.022 431 V HN 1.043 nan 8.190 nan 0.000 0.427 432 G N 1.315 110.280 108.800 0.274 0.000 2.225 432 G HA2 0.214 4.173 3.960 -0.001 0.000 0.267 432 G HA3 0.214 4.173 3.960 -0.001 0.000 0.267 432 G C 0.586 175.691 174.900 0.342 0.000 1.024 432 G CA 0.592 45.850 45.100 0.263 0.000 0.784 432 G HN 2.301 nan 8.290 nan 0.000 0.507 433 G N -1.266 107.793 108.800 0.433 0.000 2.684 433 G HA2 0.568 4.527 3.960 -0.001 0.000 0.290 433 G HA3 0.568 4.527 3.960 -0.001 0.000 0.290 433 G C -1.128 173.915 174.900 0.239 0.000 1.425 433 G CA -0.194 45.210 45.100 0.507 0.000 0.822 433 G HN 0.655 nan 8.290 nan 0.000 0.482 434 N N 0.722 119.510 118.700 0.147 0.000 2.752 434 N HA 0.358 5.097 4.740 -0.001 0.000 0.260 434 N C -1.666 173.526 175.510 -0.530 0.000 1.562 434 N CA -1.900 51.066 53.050 -0.141 0.000 0.788 434 N CB 2.224 40.698 38.487 -0.022 0.000 1.192 434 N HN 0.119 nan 8.380 nan 0.000 0.503 435 P HA -0.061 nan 4.420 nan 0.000 0.220 435 P C 0.942 177.638 177.300 -1.007 0.000 1.148 435 P CA 0.854 63.073 63.100 -1.468 0.000 0.803 435 P CB 0.014 30.766 31.700 -1.581 0.000 0.782 436 F N -0.952 118.563 119.950 -0.725 0.000 2.771 436 F HA -0.024 4.503 4.527 -0.001 0.000 0.299 436 F C 2.046 177.611 175.800 -0.392 0.000 1.177 436 F CA 0.634 58.282 58.000 -0.588 0.000 1.450 436 F CB -0.241 38.431 39.000 -0.546 0.000 1.114 436 F HN -0.230 nan 8.300 nan 0.000 0.587 437 V N -1.545 118.233 119.914 -0.227 0.000 3.137 437 V HA -0.103 4.017 4.120 -0.001 0.000 0.236 437 V C 2.196 178.234 176.094 -0.093 0.000 1.260 437 V CA 0.855 63.104 62.300 -0.085 0.000 1.244 437 V CB -0.341 31.514 31.823 0.053 0.000 1.016 437 V HN 0.406 nan 8.190 nan 0.000 0.477 438 H N -0.500 118.471 119.070 -0.164 0.000 2.470 438 H HA -0.001 4.555 4.556 -0.001 0.000 0.289 438 H C 1.117 176.275 175.328 -0.283 0.000 1.033 438 H CA 0.603 56.509 56.048 -0.237 0.000 1.331 438 H CB 0.111 29.683 29.762 -0.318 0.000 1.414 438 H HN 0.508 nan 8.280 nan 0.000 0.545 439 H N 1.365 120.314 119.070 -0.201 0.000 2.505 439 H HA 0.193 4.748 4.556 -0.001 0.000 0.351 439 H C -0.377 174.875 175.328 -0.126 0.000 1.151 439 H CA -0.455 55.534 56.048 -0.097 0.000 1.339 439 H CB 1.108 30.749 29.762 -0.201 0.000 1.483 439 H HN 0.206 nan 8.280 nan 0.000 0.558 440 Q N 1.357 120.702 119.800 -0.757 0.000 2.260 440 Q HA 0.217 4.557 4.340 -0.001 0.000 0.242 440 Q C -0.595 175.180 176.000 -0.376 0.000 0.932 440 Q CA -0.258 55.272 55.803 -0.455 0.000 0.891 440 Q CB 0.584 29.106 28.738 -0.361 0.000 1.222 440 Q HN 0.759 nan 8.270 nan 0.000 0.453 441 D N 0.338 120.597 120.400 -0.235 0.000 3.357 441 D HA -0.177 4.462 4.640 -0.001 0.000 0.238 441 D C 0.493 176.682 176.300 -0.185 0.000 1.126 441 D CA 0.238 54.135 54.000 -0.172 0.000 0.984 441 D CB -0.125 40.597 40.800 -0.131 0.000 0.925 441 D HN 0.620 nan 8.370 nan 0.000 0.414 442 R N 2.043 122.400 120.500 -0.238 0.000 2.083 442 R HA -0.073 4.266 4.340 -0.001 0.000 0.237 442 R C 1.898 178.064 176.300 -0.223 0.000 1.137 442 R CA 2.218 58.117 56.100 -0.335 0.000 0.951 442 R CB -0.231 29.749 30.300 -0.534 0.000 0.851 442 R HN 0.430 nan 8.270 nan 0.000 0.434 443 N N 0.198 118.821 118.700 -0.128 0.000 2.120 443 N HA -0.179 4.560 4.740 -0.001 0.000 0.188 443 N C 1.748 177.236 175.510 -0.036 0.000 1.024 443 N CA 1.302 54.326 53.050 -0.044 0.000 0.852 443 N CB -0.326 38.157 38.487 -0.007 0.000 1.003 443 N HN 0.292 nan 8.380 nan 0.000 0.424 444 R N 0.942 121.410 120.500 -0.052 0.000 2.083 444 R HA -0.044 4.295 4.340 -0.001 0.000 0.237 444 R C 2.315 178.595 176.300 -0.033 0.000 1.137 444 R CA 1.182 57.261 56.100 -0.035 0.000 0.951 444 R CB -0.235 30.041 30.300 -0.040 0.000 0.851 444 R HN 0.164 nan 8.270 nan 0.000 0.434 445 M N 0.245 119.799 119.600 -0.077 0.000 2.117 445 M HA -0.160 4.319 4.480 -0.001 0.000 0.262 445 M C 1.931 178.184 176.300 -0.078 0.000 1.065 445 M CA 1.635 56.865 55.300 -0.115 0.000 1.114 445 M CB 0.047 32.467 32.600 -0.300 0.000 1.361 445 M HN 0.136 nan 8.290 nan 0.000 0.408 446 V N 0.892 120.764 119.914 -0.069 0.000 2.392 446 V HA -0.276 3.843 4.120 -0.001 0.000 0.249 446 V C 2.350 178.526 176.094 0.136 0.000 1.059 446 V CA 2.081 64.426 62.300 0.075 0.000 1.051 446 V CB -0.734 31.149 31.823 0.101 0.000 0.658 446 V HN 0.476 nan 8.190 nan 0.000 0.455 447 K N 0.936 121.386 120.400 0.083 0.000 2.062 447 K HA 0.031 4.350 4.320 -0.001 0.000 0.205 447 K C 2.022 178.671 176.600 0.081 0.000 1.051 447 K CA 1.589 57.922 56.287 0.078 0.000 0.941 447 K CB -0.640 31.886 32.500 0.043 0.000 0.719 447 K HN 0.351 nan 8.250 nan 0.000 0.440 448 A N -0.018 122.846 122.820 0.073 0.000 2.015 448 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 448 A C 2.044 179.676 177.584 0.081 0.000 1.163 448 A CA 0.997 53.061 52.037 0.044 0.000 0.646 448 A CB -1.007 17.999 19.000 0.010 0.000 0.806 448 A HN 0.611 nan 8.150 nan 0.000 0.448 449 W N 0.860 122.103 121.300 -0.096 0.000 2.525 449 W HA -0.096 4.563 4.660 -0.001 0.000 0.259 449 W C 1.402 177.902 176.519 -0.032 0.000 1.253 449 W CA 1.240 58.531 57.345 -0.090 0.000 1.262 449 W CB 0.055 29.495 29.460 -0.033 0.000 1.122 449 W HN 0.581 nan 8.180 nan 0.000 0.607 450 E N 0.089 120.372 120.200 0.138 0.000 2.333 450 E HA -0.220 4.129 4.350 -0.001 0.000 0.198 450 E C 2.043 178.642 176.600 -0.001 0.000 1.007 450 E CA 0.603 57.049 56.400 0.078 0.000 0.845 450 E CB -0.217 29.528 29.700 0.075 0.000 0.766 450 E HN 0.116 nan 8.360 nan 0.000 0.507 451 K N 0.996 121.355 120.400 -0.069 0.000 2.362 451 K HA -0.053 4.267 4.320 -0.001 0.000 0.200 451 K C 0.395 176.903 176.600 -0.153 0.000 1.046 451 K CA 0.265 56.484 56.287 -0.114 0.000 0.952 451 K CB 0.047 32.453 32.500 -0.156 0.000 0.753 451 K HN 0.118 nan 8.250 nan 0.000 0.466 452 L N 1.693 122.794 121.223 -0.203 0.000 2.331 452 L HA 0.094 4.433 4.340 -0.001 0.000 0.278 452 L C 1.347 178.196 176.870 -0.035 0.000 1.106 452 L CA -0.229 54.495 54.840 -0.194 0.000 0.824 452 L CB 1.220 43.062 42.059 -0.362 0.000 1.142 452 L HN 0.098 nan 8.230 nan 0.000 0.443 453 E N 0.926 121.134 120.200 0.014 0.000 2.112 453 E HA -0.009 4.340 4.350 -0.001 0.000 0.190 453 E C -0.162 176.568 176.600 0.216 0.000 0.979 453 E CA 0.844 57.321 56.400 0.127 0.000 0.814 453 E CB 0.287 30.076 29.700 0.149 0.000 0.762 453 E HN 0.585 nan 8.360 nan 0.000 0.460 454 T N 0.416 115.062 114.554 0.154 0.000 2.916 454 T HA 0.393 4.743 4.350 -0.001 0.000 0.298 454 T C -1.546 173.242 174.700 0.147 0.000 1.031 454 T CA -0.582 61.585 62.100 0.111 0.000 0.993 454 T CB 1.570 70.537 68.868 0.165 0.000 1.045 454 T HN -0.056 nan 8.240 nan 0.000 0.454 455 F N 3.989 123.879 119.950 -0.101 0.000 2.553 455 F HA 0.664 5.191 4.527 -0.001 0.000 0.335 455 F C -1.387 174.383 175.800 -0.050 0.000 1.148 455 F CA -1.408 56.613 58.000 0.035 0.000 0.963 455 F CB 0.874 40.005 39.000 0.220 0.000 1.217 455 F HN 0.301 nan 8.300 nan 0.000 0.441 456 V N 6.493 126.254 119.914 -0.256 0.000 2.459 456 V HA 0.741 4.861 4.120 -0.001 0.000 0.295 456 V C -0.576 175.233 176.094 -0.476 0.000 1.029 456 V CA -0.789 61.212 62.300 -0.497 0.000 0.874 456 V CB 1.572 32.902 31.823 -0.820 0.000 0.985 456 V HN 0.567 nan 8.190 nan 0.000 0.438 457 V N 3.867 123.569 119.914 -0.353 0.000 2.876 457 V HA 0.540 4.659 4.120 -0.001 0.000 0.312 457 V C -0.859 175.286 176.094 0.084 0.000 1.085 457 V CA -0.706 61.514 62.300 -0.134 0.000 0.945 457 V CB 2.361 34.011 31.823 -0.288 0.000 1.017 457 V HN 0.944 nan 8.190 nan 0.000 0.428 458 H N 2.339 121.411 119.070 0.004 0.000 2.538 458 H HA 0.706 5.262 4.556 -0.001 0.000 0.353 458 H C -1.204 174.103 175.328 -0.034 0.000 1.109 458 H CA -0.723 55.316 56.048 -0.014 0.000 1.192 458 H CB 2.444 32.246 29.762 0.067 0.000 1.555 458 H HN 0.635 nan 8.280 nan 0.000 0.518 459 D N 1.528 121.932 120.400 0.007 0.000 2.710 459 D HA -0.015 4.625 4.640 -0.001 0.000 0.276 459 D C -0.611 175.625 176.300 -0.108 0.000 1.267 459 D CA -0.511 53.429 54.000 -0.099 0.000 0.772 459 D CB 1.305 41.965 40.800 -0.233 0.000 1.299 459 D HN 0.453 nan 8.370 nan 0.000 0.421 460 F N -0.437 119.481 119.950 -0.052 0.000 2.721 460 F HA 0.461 4.987 4.527 -0.001 0.000 0.301 460 F C 0.608 176.360 175.800 -0.080 0.000 1.096 460 F CA -0.140 57.819 58.000 -0.068 0.000 1.308 460 F CB 0.317 39.318 39.000 0.001 0.000 1.086 460 F HN -0.095 nan 8.300 nan 0.000 0.587 461 Q N 0.166 119.778 119.800 -0.313 0.000 2.377 461 Q HA 0.164 4.504 4.340 -0.001 0.000 0.271 461 Q C -1.653 174.206 176.000 -0.235 0.000 1.077 461 Q CA -0.559 55.174 55.803 -0.117 0.000 0.820 461 Q CB 1.904 30.681 28.738 0.065 0.000 1.347 461 Q HN 0.484 nan 8.270 nan 0.000 0.444 462 W N 2.854 124.105 121.300 -0.082 0.000 1.564 462 W HA 0.071 4.730 4.660 -0.001 0.000 0.480 462 W C 0.875 177.123 176.519 -0.452 0.000 0.699 462 W CA -0.132 57.093 57.345 -0.200 0.000 1.985 462 W CB 0.068 29.462 29.460 -0.109 0.000 1.738 462 W HN 0.411 nan 8.180 nan 0.000 0.218 463 T N -1.167 113.099 114.554 -0.481 0.000 2.766 463 T HA 0.143 4.492 4.350 -0.001 0.000 0.295 463 T C -1.514 172.905 174.700 -0.469 0.000 1.024 463 T CA -1.393 60.153 62.100 -0.924 0.000 1.018 463 T CB 1.216 69.681 68.868 -0.671 0.000 1.002 463 T HN -0.040 nan 8.240 nan 0.000 0.532 464 P HA -0.081 nan 4.420 nan 0.000 0.216 464 P C 1.590 178.833 177.300 -0.095 0.000 1.150 464 P CA 1.179 64.209 63.100 -0.117 0.000 0.843 464 P CB -0.231 31.470 31.700 0.001 0.000 0.787 465 T N -0.913 113.553 114.554 -0.145 0.000 2.777 465 T HA -0.087 4.262 4.350 -0.001 0.000 0.266 465 T C 1.888 176.533 174.700 -0.092 0.000 1.040 465 T CA 1.527 63.579 62.100 -0.079 0.000 1.141 465 T CB -0.868 67.969 68.868 -0.051 0.000 0.868 465 T HN 0.044 nan 8.240 nan 0.000 0.444 466 A N 1.886 124.625 122.820 -0.134 0.000 1.902 466 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 466 A C 2.308 179.947 177.584 0.092 0.000 1.181 466 A CA 1.316 53.268 52.037 -0.142 0.000 0.623 466 A CB -0.481 18.329 19.000 -0.317 0.000 0.818 466 A HN 0.419 nan 8.150 nan 0.000 0.443 467 R N -1.473 119.135 120.500 0.179 0.000 2.241 467 R HA -0.107 4.232 4.340 -0.001 0.000 0.224 467 R C 1.019 177.332 176.300 0.023 0.000 1.101 467 R CA 1.376 57.608 56.100 0.219 0.000 0.995 467 R CB -0.302 30.007 30.300 0.015 0.000 0.870 467 R HN 0.699 nan 8.270 nan 0.000 0.463 468 H N -0.819 118.182 119.070 -0.115 0.000 2.549 468 H HA 0.323 4.878 4.556 -0.001 0.000 0.279 468 H C 0.165 175.549 175.328 0.094 0.000 1.018 468 H CA 0.027 55.962 56.048 -0.189 0.000 1.175 468 H CB 0.583 29.840 29.762 -0.842 0.000 1.485 468 H HN 0.169 nan 8.280 nan 0.000 0.543 469 A N 0.002 122.908 122.820 0.144 0.000 2.272 469 A HA 0.136 4.456 4.320 -0.001 0.000 0.275 469 A C 0.728 178.359 177.584 0.078 0.000 1.096 469 A CA -0.374 51.652 52.037 -0.019 0.000 0.822 469 A CB 0.629 19.432 19.000 -0.328 0.000 1.088 469 A HN 0.264 nan 8.150 nan 0.000 0.495 470 D N -0.396 119.957 120.400 -0.078 0.000 2.216 470 D HA 0.121 4.761 4.640 -0.001 0.000 0.208 470 D C 0.065 176.270 176.300 -0.159 0.000 0.960 470 D CA 1.408 55.267 54.000 -0.236 0.000 0.861 470 D CB 0.143 40.471 40.800 -0.787 0.000 0.985 470 D HN 0.474 nan 8.370 nan 0.000 0.493 471 I N 1.226 121.674 120.570 -0.205 0.000 2.447 471 I HA 0.210 4.379 4.170 -0.001 0.000 0.287 471 I C -0.908 175.098 176.117 -0.185 0.000 1.023 471 I CA -0.700 60.512 61.300 -0.147 0.000 1.083 471 I CB 2.822 40.717 38.000 -0.176 0.000 1.245 471 I HN -0.394 nan 8.210 nan 0.000 0.434 472 V N 7.278 127.074 119.914 -0.197 0.000 2.444 472 V HA 0.470 4.590 4.120 -0.001 0.000 0.294 472 V C -0.205 175.679 176.094 -0.350 0.000 1.022 472 V CA -0.501 61.612 62.300 -0.311 0.000 0.850 472 V CB 1.831 33.365 31.823 -0.482 0.000 0.992 472 V HN 0.478 nan 8.190 nan 0.000 0.426 473 L N 7.248 128.285 121.223 -0.310 0.000 2.313 473 L HA 0.520 4.859 4.340 -0.001 0.000 0.283 473 L C -2.367 174.340 176.870 -0.271 0.000 1.013 473 L CA -1.841 52.779 54.840 -0.367 0.000 0.816 473 L CB 2.566 44.403 42.059 -0.371 0.000 1.236 473 L HN 0.400 nan 8.230 nan 0.000 0.419 474 P HA 0.161 nan 4.420 nan 0.000 0.276 474 P C -0.573 176.772 177.300 0.075 0.000 1.264 474 P CA -0.078 62.969 63.100 -0.089 0.000 0.769 474 P CB 1.274 32.929 31.700 -0.075 0.000 0.840 475 A N 4.276 127.138 122.820 0.070 0.000 2.257 475 A HA 0.654 4.974 4.320 -0.001 0.000 0.289 475 A C 0.680 178.338 177.584 0.123 0.000 1.095 475 A CA -0.244 51.864 52.037 0.118 0.000 0.836 475 A CB 0.018 19.140 19.000 0.203 0.000 1.111 475 A HN 0.575 nan 8.150 nan 0.000 0.497 476 T N -1.385 113.193 114.554 0.040 0.000 2.912 476 T HA 0.600 4.949 4.350 -0.001 0.000 0.280 476 T C 0.526 175.095 174.700 -0.218 0.000 0.989 476 T CA 0.114 62.167 62.100 -0.078 0.000 0.995 476 T CB 0.896 69.689 68.868 -0.125 0.000 1.077 476 T HN 1.110 nan 8.240 nan 0.000 0.531 477 T N -1.405 112.867 114.554 -0.469 0.000 2.862 477 T HA 0.328 4.677 4.350 -0.001 0.000 0.276 477 T C 1.413 175.761 174.700 -0.587 0.000 0.974 477 T CA -0.543 61.105 62.100 -0.753 0.000 0.966 477 T CB 0.567 68.930 68.868 -0.841 0.000 1.072 477 T HN 0.463 nan 8.240 nan 0.000 0.538 478 S N -0.065 115.155 115.700 -0.801 0.000 2.442 478 S HA -0.033 4.436 4.470 -0.001 0.000 0.236 478 S C 1.307 175.539 174.600 -0.614 0.000 1.007 478 S CA 0.793 58.577 58.200 -0.693 0.000 0.965 478 S CB -0.695 62.054 63.200 -0.750 0.000 0.773 478 S HN 0.753 nan 8.310 nan 0.000 0.504 479 Y N 1.370 121.631 120.300 -0.065 0.000 2.583 479 Y HA 0.166 4.716 4.550 -0.001 0.000 0.293 479 Y C 1.585 177.457 175.900 -0.047 0.000 1.157 479 Y CA -0.142 57.950 58.100 -0.013 0.000 1.315 479 Y CB -0.586 37.921 38.460 0.079 0.000 1.021 479 Y HN 0.314 nan 8.280 nan 0.000 0.536 480 E N 0.668 120.818 120.200 -0.083 0.000 2.499 480 E HA 0.190 4.539 4.350 -0.001 0.000 0.199 480 E C 0.261 176.798 176.600 -0.105 0.000 1.016 480 E CA -0.223 56.129 56.400 -0.079 0.000 0.933 480 E CB 0.397 30.027 29.700 -0.118 0.000 1.050 480 E HN 0.418 nan 8.360 nan 0.000 0.462 481 R N -1.084 119.345 120.500 -0.118 0.000 2.762 481 R HA 0.416 4.755 4.340 -0.001 0.000 0.271 481 R C -1.085 175.213 176.300 -0.003 0.000 1.038 481 R CA -0.950 55.080 56.100 -0.117 0.000 0.906 481 R CB 0.688 30.759 30.300 -0.383 0.000 1.259 481 R HN -0.197 nan 8.270 nan 0.000 0.457 482 N N -0.057 118.710 118.700 0.112 0.000 2.370 482 N HA 0.438 5.177 4.740 -0.001 0.000 0.303 482 N C -1.410 174.295 175.510 0.325 0.000 1.103 482 N CA -0.206 52.992 53.050 0.248 0.000 0.848 482 N CB 1.749 40.392 38.487 0.261 0.000 1.235 482 N HN 0.526 nan 8.380 nan 0.000 0.496 483 D N 0.273 120.895 120.400 0.370 0.000 2.779 483 D HA 0.474 5.113 4.640 -0.001 0.000 0.331 483 D C -1.354 175.167 176.300 0.367 0.000 1.331 483 D CA -0.400 53.798 54.000 0.331 0.000 0.866 483 D CB 2.327 43.270 40.800 0.238 0.000 1.409 483 D HN 0.370 nan 8.370 nan 0.000 0.486 484 I N 0.850 121.600 120.570 0.301 0.000 2.656 484 I HA 0.541 4.710 4.170 -0.001 0.000 0.292 484 I C -1.719 174.489 176.117 0.152 0.000 1.144 484 I CA -0.347 61.137 61.300 0.306 0.000 1.038 484 I CB 1.994 40.291 38.000 0.495 0.000 1.244 484 I HN 0.312 nan 8.210 nan 0.000 0.420 485 E N 3.645 123.898 120.200 0.089 0.000 2.412 485 E HA 0.460 4.809 4.350 -0.001 0.000 0.279 485 E C -1.459 175.143 176.600 0.004 0.000 0.984 485 E CA -0.440 55.965 56.400 0.008 0.000 0.788 485 E CB 2.164 31.830 29.700 -0.056 0.000 1.277 485 E HN 0.535 nan 8.360 nan 0.000 0.455 486 T N 2.441 116.991 114.554 -0.007 0.000 2.913 486 T HA 0.424 4.774 4.350 -0.001 0.000 0.297 486 T C 0.224 174.912 174.700 -0.020 0.000 1.029 486 T CA -0.094 62.013 62.100 0.011 0.000 1.104 486 T CB 0.116 68.999 68.868 0.025 0.000 0.964 486 T HN 0.302 nan 8.240 nan 0.000 0.532 487 I N 2.491 123.052 120.570 -0.015 0.000 2.307 487 I HA 0.507 4.676 4.170 -0.001 0.000 0.289 487 I C 0.760 176.902 176.117 0.043 0.000 1.021 487 I CA -0.026 61.262 61.300 -0.021 0.000 1.224 487 I CB 0.788 38.752 38.000 -0.059 0.000 1.376 487 I HN 0.891 nan 8.210 nan 0.000 0.470 488 G N 4.752 113.575 108.800 0.039 0.000 3.238 488 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.684 488 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.684 488 G C 0.048 174.969 174.900 0.034 0.000 1.156 488 G CA -0.754 44.389 45.100 0.070 0.000 1.048 488 G HN 0.713 nan 8.290 nan 0.000 0.462 489 D N 0.426 120.810 120.400 -0.027 0.000 2.149 489 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 489 D C 1.510 177.647 176.300 -0.272 0.000 0.990 489 D CA 2.011 55.904 54.000 -0.179 0.000 0.839 489 D CB 0.295 40.892 40.800 -0.338 0.000 0.948 489 D HN 0.640 nan 8.370 nan 0.000 0.460 490 Y N -0.048 120.289 120.300 0.061 0.000 2.559 490 Y HA -0.009 4.541 4.550 -0.001 0.000 0.279 490 Y C 2.654 178.582 175.900 0.047 0.000 1.117 490 Y CA 0.442 58.569 58.100 0.045 0.000 1.263 490 Y CB -0.272 38.217 38.460 0.049 0.000 1.230 490 Y HN -0.097 nan 8.280 nan 0.000 0.528 491 S N 0.014 115.854 115.700 0.233 0.000 2.406 491 S HA -0.141 4.328 4.470 -0.001 0.000 0.228 491 S C 1.039 175.736 174.600 0.162 0.000 1.020 491 S CA 0.796 59.107 58.200 0.185 0.000 0.965 491 S CB -0.620 62.697 63.200 0.195 0.000 0.798 491 S HN 0.499 nan 8.310 nan 0.000 0.488 492 N N 1.082 119.871 118.700 0.148 0.000 2.705 492 N HA -0.143 4.597 4.740 -0.001 0.000 0.255 492 N C 0.377 176.050 175.510 0.272 0.000 1.008 492 N CA 0.946 54.109 53.050 0.188 0.000 0.742 492 N CB -1.953 36.630 38.487 0.158 0.000 0.906 492 N HN 0.520 nan 8.380 nan 0.000 0.541 493 T N -1.436 113.235 114.554 0.196 0.000 2.833 493 T HA 0.214 4.563 4.350 -0.001 0.000 0.269 493 T C 1.092 175.823 174.700 0.052 0.000 1.054 493 T CA 1.371 63.575 62.100 0.172 0.000 1.135 493 T CB -0.092 68.882 68.868 0.177 0.000 0.869 493 T HN 0.780 nan 8.240 nan 0.000 0.466 494 G N -0.539 108.240 108.800 -0.035 0.000 2.321 494 G HA2 0.519 4.479 3.960 -0.001 0.000 0.296 494 G HA3 0.519 4.479 3.960 -0.001 0.000 0.296 494 G C -2.144 172.647 174.900 -0.182 0.000 1.287 494 G CA -1.004 43.871 45.100 -0.375 0.000 0.846 494 G HN 0.203 nan 8.290 nan 0.000 0.508 495 I N 0.232 120.681 120.570 -0.201 0.000 2.498 495 I HA 0.545 4.714 4.170 -0.001 0.000 0.290 495 I C -0.943 175.210 176.117 0.060 0.000 1.032 495 I CA -0.799 60.489 61.300 -0.020 0.000 1.073 495 I CB 2.083 40.097 38.000 0.025 0.000 1.251 495 I HN 0.445 nan 8.210 nan 0.000 0.426 496 L N 5.918 127.161 121.223 0.035 0.000 2.346 496 L HA 0.788 5.127 4.340 -0.001 0.000 0.274 496 L C -0.183 176.676 176.870 -0.019 0.000 1.007 496 L CA -0.205 54.597 54.840 -0.063 0.000 0.818 496 L CB 1.750 43.668 42.059 -0.235 0.000 1.284 496 L HN 0.671 nan 8.230 nan 0.000 0.424 497 A N 5.883 128.512 122.820 -0.317 0.000 2.310 497 A HA 0.497 4.816 4.320 -0.001 0.000 0.300 497 A C -0.181 177.084 177.584 -0.531 0.000 1.269 497 A CA -0.335 51.318 52.037 -0.640 0.000 0.909 497 A CB -0.258 17.726 19.000 -1.694 0.000 1.144 497 A HN 0.787 nan 8.150 nan 0.000 0.540 498 M N 3.782 123.239 119.600 -0.239 0.000 2.974 498 M HA 0.121 4.600 4.480 -0.001 0.000 0.301 498 M C -0.079 176.165 176.300 -0.093 0.000 1.409 498 M CA 0.316 55.510 55.300 -0.176 0.000 1.515 498 M CB -0.065 32.502 32.600 -0.054 0.000 1.163 498 M HN 0.548 nan 8.290 nan 0.000 0.520 499 K N 2.052 122.324 120.400 -0.213 0.000 2.270 499 K HA 0.174 4.493 4.320 -0.001 0.000 0.276 499 K C 0.144 176.747 176.600 0.006 0.000 1.023 499 K CA -0.387 55.860 56.287 -0.067 0.000 0.955 499 K CB 0.911 33.283 32.500 -0.215 0.000 0.975 499 K HN 0.381 nan 8.250 nan 0.000 0.471 500 K N 3.074 123.524 120.400 0.083 0.000 2.472 500 K HA -0.053 4.266 4.320 -0.001 0.000 0.280 500 K C 0.261 176.893 176.600 0.053 0.000 1.028 500 K CA 0.277 56.601 56.287 0.062 0.000 1.045 500 K CB 0.323 32.862 32.500 0.065 0.000 0.902 500 K HN 0.542 nan 8.250 nan 0.000 0.478 501 I N 3.797 124.416 120.570 0.081 0.000 2.947 501 I HA -0.023 4.147 4.170 -0.001 0.000 0.263 501 I C 0.233 176.407 176.117 0.095 0.000 1.130 501 I CA 0.072 61.430 61.300 0.097 0.000 1.448 501 I CB 0.750 38.848 38.000 0.162 0.000 1.222 501 I HN 0.471 nan 8.210 nan 0.000 0.453 502 V N -2.539 117.429 119.914 0.090 0.000 3.130 502 V HA 0.524 4.643 4.120 -0.001 0.000 0.310 502 V C -0.603 175.508 176.094 0.028 0.000 1.158 502 V CA -1.040 61.301 62.300 0.068 0.000 1.029 502 V CB 1.874 33.753 31.823 0.092 0.000 1.057 502 V HN -0.084 nan 8.190 nan 0.000 0.436 503 E N 1.493 121.703 120.200 0.016 0.000 2.392 503 E HA 0.366 4.716 4.350 -0.001 0.000 0.259 503 E C -2.533 174.050 176.600 -0.028 0.000 1.108 503 E CA -1.915 54.482 56.400 -0.005 0.000 0.916 503 E CB 0.325 30.024 29.700 -0.003 0.000 0.989 503 E HN 0.593 nan 8.360 nan 0.000 0.432 504 P HA -0.043 nan 4.420 nan 0.000 0.264 504 P C -0.451 176.814 177.300 -0.058 0.000 1.183 504 P CA 0.170 63.241 63.100 -0.049 0.000 0.763 504 P CB 0.311 31.991 31.700 -0.033 0.000 0.807 505 L N 5.106 126.273 121.223 -0.093 0.000 2.399 505 L HA 0.252 4.592 4.340 -0.001 0.000 0.266 505 L C 0.630 177.449 176.870 -0.084 0.000 1.114 505 L CA 0.334 55.047 54.840 -0.213 0.000 0.804 505 L CB -0.499 41.359 42.059 -0.335 0.000 1.146 505 L HN 0.474 nan 8.230 nan 0.000 0.451 506 Y N 0.292 120.622 120.300 0.051 0.000 2.854 506 Y HA -0.391 4.159 4.550 -0.001 0.000 0.466 506 Y C 1.097 177.068 175.900 0.120 0.000 1.170 506 Y CA 1.172 59.309 58.100 0.061 0.000 2.593 506 Y CB -0.890 37.537 38.460 -0.054 0.000 1.203 506 Y HN 0.648 nan 8.280 nan 0.000 0.629 507 E N 1.213 121.631 120.200 0.362 0.000 2.496 507 E HA 0.539 4.888 4.350 -0.001 0.000 0.202 507 E C -0.049 176.823 176.600 0.454 0.000 1.021 507 E CA 0.287 56.934 56.400 0.412 0.000 1.015 507 E CB 0.272 30.286 29.700 0.524 0.000 1.102 507 E HN 0.487 nan 8.360 nan 0.000 0.452 508 A N 1.660 124.645 122.820 0.275 0.000 2.407 508 A HA 0.365 4.685 4.320 -0.001 0.000 0.248 508 A C 0.158 177.810 177.584 0.113 0.000 1.082 508 A CA 0.074 52.244 52.037 0.221 0.000 0.785 508 A CB 0.433 19.506 19.000 0.123 0.000 1.020 508 A HN 0.172 nan 8.150 nan 0.000 0.489 509 R N 0.739 121.269 120.500 0.051 0.000 2.795 509 R HA 0.490 4.829 4.340 -0.001 0.000 0.275 509 R C -0.115 176.145 176.300 -0.067 0.000 0.981 509 R CA -0.439 55.589 56.100 -0.120 0.000 0.917 509 R CB 2.069 32.107 30.300 -0.437 0.000 1.202 509 R HN 0.917 nan 8.270 nan 0.000 0.469 510 S N 0.119 115.789 115.700 -0.050 0.000 2.584 510 S HA 0.015 4.484 4.470 -0.001 0.000 0.270 510 S C 0.600 175.243 174.600 0.072 0.000 1.346 510 S CA -0.531 57.676 58.200 0.010 0.000 1.018 510 S CB 0.773 63.985 63.200 0.020 0.000 0.899 510 S HN 0.551 nan 8.310 nan 0.000 0.542 511 D N 0.475 120.968 120.400 0.156 0.000 2.149 511 D HA -0.183 4.457 4.640 -0.001 0.000 0.198 511 D C 1.465 177.902 176.300 0.229 0.000 0.990 511 D CA 1.745 55.843 54.000 0.162 0.000 0.839 511 D CB -0.298 40.702 40.800 0.333 0.000 0.948 511 D HN 0.795 nan 8.370 nan 0.000 0.460 512 Y N 2.340 122.805 120.300 0.276 0.000 2.114 512 Y HA -0.250 4.299 4.550 -0.001 0.000 0.282 512 Y C 1.847 177.868 175.900 0.201 0.000 1.165 512 Y CA 1.881 60.178 58.100 0.330 0.000 1.148 512 Y CB -0.148 38.476 38.460 0.274 0.000 0.972 512 Y HN -0.173 nan 8.280 nan 0.000 0.504 513 D N 0.127 120.689 120.400 0.270 0.000 2.144 513 D HA -0.175 4.464 4.640 -0.001 0.000 0.199 513 D C 2.275 178.486 176.300 -0.149 0.000 0.984 513 D CA 1.803 55.841 54.000 0.063 0.000 0.834 513 D CB -0.346 40.458 40.800 0.008 0.000 0.955 513 D HN 0.482 nan 8.370 nan 0.000 0.465 514 I N -0.034 120.411 120.570 -0.208 0.000 2.179 514 I HA -0.257 3.913 4.170 -0.001 0.000 0.242 514 I C 1.983 177.949 176.117 -0.251 0.000 1.088 514 I CA 0.829 61.957 61.300 -0.286 0.000 1.357 514 I CB -0.220 37.552 38.000 -0.381 0.000 1.051 514 I HN -0.106 nan 8.210 nan 0.000 0.409 515 F N 0.977 120.834 119.950 -0.155 0.000 2.234 515 F HA -0.082 4.444 4.527 -0.001 0.000 0.299 515 F C 2.578 177.838 175.800 -0.900 0.000 1.087 515 F CA 0.935 58.688 58.000 -0.413 0.000 1.340 515 F CB -1.089 37.704 39.000 -0.346 0.000 1.031 515 F HN -0.014 nan 8.300 nan 0.000 0.500 516 A N -0.031 122.337 122.820 -0.755 0.000 1.902 516 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 516 A C 2.434 179.817 177.584 -0.336 0.000 1.181 516 A CA 1.733 53.344 52.037 -0.709 0.000 0.623 516 A CB -1.195 17.580 19.000 -0.376 0.000 0.818 516 A HN 0.278 nan 8.150 nan 0.000 0.443 517 A N -0.711 121.977 122.820 -0.221 0.000 1.968 517 A HA 0.093 4.412 4.320 -0.001 0.000 0.217 517 A C 2.165 179.703 177.584 -0.076 0.000 1.169 517 A CA 1.562 53.529 52.037 -0.117 0.000 0.638 517 A CB -0.680 18.259 19.000 -0.102 0.000 0.812 517 A HN 0.355 nan 8.150 nan 0.000 0.446 518 V N -0.205 119.664 119.914 -0.074 0.000 2.453 518 V HA -0.184 3.936 4.120 -0.001 0.000 0.247 518 V C 3.005 179.078 176.094 -0.035 0.000 1.048 518 V CA 1.705 64.007 62.300 0.003 0.000 1.049 518 V CB -1.095 30.789 31.823 0.102 0.000 0.672 518 V HN 0.583 nan 8.190 nan 0.000 0.457 519 A N 0.001 122.733 122.820 -0.146 0.000 1.933 519 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 519 A C 2.178 179.733 177.584 -0.049 0.000 1.175 519 A CA 1.966 53.930 52.037 -0.123 0.000 0.628 519 A CB -0.462 18.377 19.000 -0.269 0.000 0.814 519 A HN 0.532 nan 8.150 nan 0.000 0.444 520 E N 0.282 120.447 120.200 -0.059 0.000 2.058 520 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 520 E C 2.107 178.710 176.600 0.004 0.000 0.997 520 E CA 1.550 57.941 56.400 -0.015 0.000 0.801 520 E CB -0.259 29.429 29.700 -0.019 0.000 0.746 520 E HN 0.584 nan 8.360 nan 0.000 0.450 521 R N -0.504 120.000 120.500 0.006 0.000 2.152 521 R HA -0.015 4.325 4.340 -0.001 0.000 0.232 521 R C 1.770 178.089 176.300 0.031 0.000 1.117 521 R CA 1.073 57.188 56.100 0.024 0.000 0.981 521 R CB -0.173 30.149 30.300 0.037 0.000 0.870 521 R HN 0.255 nan 8.270 nan 0.000 0.451 522 L N -0.556 120.684 121.223 0.029 0.000 2.611 522 L HA 0.242 4.581 4.340 -0.001 0.000 0.229 522 L C 0.890 177.780 176.870 0.033 0.000 1.137 522 L CA 0.144 55.006 54.840 0.037 0.000 0.901 522 L CB 0.361 42.446 42.059 0.043 0.000 1.098 522 L HN 0.384 nan 8.230 nan 0.000 0.456 523 G N 0.795 109.612 108.800 0.029 0.000 2.147 523 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.244 523 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.244 523 G C 0.547 175.469 174.900 0.036 0.000 1.005 523 G CA 0.046 45.164 45.100 0.029 0.000 0.713 523 G HN 0.312 nan 8.290 nan 0.000 0.515 524 K N -0.062 120.363 120.400 0.041 0.000 2.676 524 K HA 0.320 4.639 4.320 -0.001 0.000 0.205 524 K C 1.993 178.642 176.600 0.083 0.000 1.084 524 K CA 0.293 56.617 56.287 0.061 0.000 1.057 524 K CB 0.553 33.095 32.500 0.071 0.000 0.791 524 K HN 0.321 nan 8.250 nan 0.000 0.484 525 G N 1.498 110.334 108.800 0.059 0.000 2.446 525 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 525 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 525 G C 1.485 176.459 174.900 0.124 0.000 1.168 525 G CA 1.225 46.366 45.100 0.069 0.000 0.771 525 G HN 0.360 nan 8.290 nan 0.000 0.551 526 A N 0.640 123.517 122.820 0.095 0.000 1.969 526 A HA 0.071 4.390 4.320 -0.001 0.000 0.218 526 A C 2.201 179.854 177.584 0.114 0.000 1.169 526 A CA 2.018 54.111 52.037 0.094 0.000 0.635 526 A CB -0.266 18.767 19.000 0.054 0.000 0.810 526 A HN 0.354 nan 8.150 nan 0.000 0.445 527 E N -1.125 119.145 120.200 0.116 0.000 2.150 527 E HA -0.088 4.261 4.350 -0.001 0.000 0.193 527 E C 1.546 178.242 176.600 0.161 0.000 0.985 527 E CA 1.087 57.555 56.400 0.113 0.000 0.814 527 E CB -0.346 29.409 29.700 0.093 0.000 0.752 527 E HN 0.706 nan 8.360 nan 0.000 0.466 528 F N 0.769 120.751 119.950 0.053 0.000 2.163 528 F HA -0.137 4.390 4.527 -0.001 0.000 0.297 528 F C 2.281 178.168 175.800 0.145 0.000 1.094 528 F CA 1.736 59.764 58.000 0.045 0.000 1.290 528 F CB -0.293 38.691 39.000 -0.026 0.000 1.017 528 F HN 0.062 nan 8.300 nan 0.000 0.483 529 T N -3.100 111.694 114.554 0.401 0.000 3.043 529 T HA 0.029 4.378 4.350 -0.001 0.000 0.263 529 T C 1.107 176.035 174.700 0.379 0.000 1.094 529 T CA 0.843 63.227 62.100 0.474 0.000 1.127 529 T CB -0.073 69.037 68.868 0.403 0.000 0.905 529 T HN 0.263 nan 8.240 nan 0.000 0.490 530 E N 0.669 120.986 120.200 0.195 0.000 2.971 530 E HA -0.177 4.172 4.350 -0.001 0.000 0.278 530 E C 1.096 177.622 176.600 -0.122 0.000 1.009 530 E CA 1.190 57.599 56.400 0.015 0.000 0.862 530 E CB -1.889 27.794 29.700 -0.027 0.000 1.436 530 E HN 1.115 nan 8.360 nan 0.000 0.434 531 G N -1.104 107.667 108.800 -0.048 0.000 2.189 531 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.267 531 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.267 531 G C 0.333 175.135 174.900 -0.163 0.000 0.975 531 G CA 0.855 45.905 45.100 -0.084 0.000 0.644 531 G HN 0.440 nan 8.290 nan 0.000 0.537 532 K N 0.620 120.853 120.400 -0.278 0.000 2.123 532 K HA 0.567 4.886 4.320 -0.001 0.000 0.248 532 K C -0.004 176.509 176.600 -0.145 0.000 0.969 532 K CA -0.374 55.664 56.287 -0.415 0.000 0.882 532 K CB 1.161 33.028 32.500 -1.055 0.000 1.080 532 K HN 0.301 nan 8.250 nan 0.000 0.441 533 D N -0.594 119.731 120.400 -0.124 0.000 2.588 533 D HA 0.016 4.655 4.640 -0.001 0.000 0.268 533 D C 0.792 177.079 176.300 -0.021 0.000 1.176 533 D CA -0.509 53.489 54.000 -0.004 0.000 1.080 533 D CB 0.352 41.136 40.800 -0.028 0.000 1.186 533 D HN 0.624 nan 8.370 nan 0.000 0.619 534 E N -0.984 119.171 120.200 -0.074 0.000 2.033 534 E HA -0.217 4.133 4.350 -0.001 0.000 0.199 534 E C 1.943 178.466 176.600 -0.128 0.000 1.011 534 E CA 1.425 57.748 56.400 -0.128 0.000 0.815 534 E CB -0.023 29.627 29.700 -0.084 0.000 0.755 534 E HN 0.327 nan 8.360 nan 0.000 0.451 535 M N -0.008 119.495 119.600 -0.163 0.000 2.229 535 M HA -0.038 4.441 4.480 -0.001 0.000 0.264 535 M C 2.402 178.517 176.300 -0.309 0.000 1.063 535 M CA 1.373 56.527 55.300 -0.243 0.000 1.114 535 M CB -1.283 31.176 32.600 -0.236 0.000 1.387 535 M HN 0.280 nan 8.290 nan 0.000 0.420 536 G N -0.884 107.749 108.800 -0.279 0.000 2.446 536 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 536 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 536 G C 1.410 176.039 174.900 -0.452 0.000 1.168 536 G CA 0.548 45.427 45.100 -0.368 0.000 0.771 536 G HN 0.469 nan 8.290 nan 0.000 0.551 537 W N 0.611 121.636 121.300 -0.458 0.000 2.355 537 W HA 0.061 4.720 4.660 -0.001 0.000 0.309 537 W C 2.632 178.513 176.519 -1.064 0.000 1.206 537 W CA 0.269 57.186 57.345 -0.713 0.000 1.284 537 W CB -0.185 28.959 29.460 -0.528 0.000 1.145 537 W HN 0.115 nan 8.180 nan 0.000 0.502 538 I N 0.358 120.691 120.570 -0.395 0.000 2.226 538 I HA -0.339 3.830 4.170 -0.001 0.000 0.245 538 I C 2.434 178.327 176.117 -0.373 0.000 1.100 538 I CA 1.549 62.707 61.300 -0.236 0.000 1.374 538 I CB -0.625 37.370 38.000 -0.007 0.000 1.057 538 I HN -0.051 nan 8.210 nan 0.000 0.413 539 K N 1.046 121.005 120.400 -0.734 0.000 2.097 539 K HA -0.199 4.120 4.320 -0.001 0.000 0.206 539 K C 2.316 178.653 176.600 -0.438 0.000 1.049 539 K CA 1.837 57.531 56.287 -0.988 0.000 0.933 539 K CB -0.065 31.791 32.500 -1.073 0.000 0.717 539 K HN 0.399 nan 8.250 nan 0.000 0.442 540 S N 0.009 115.442 115.700 -0.444 0.000 2.382 540 S HA -0.143 4.327 4.470 -0.001 0.000 0.228 540 S C 1.781 176.327 174.600 -0.090 0.000 1.027 540 S CA 0.947 58.973 58.200 -0.290 0.000 0.991 540 S CB -0.612 62.389 63.200 -0.332 0.000 0.823 540 S HN 0.255 nan 8.310 nan 0.000 0.469 541 F N 0.802 120.775 119.950 0.039 0.000 2.146 541 F HA 0.139 4.665 4.527 -0.001 0.000 0.298 541 F C 2.426 178.263 175.800 0.061 0.000 1.096 541 F CA 0.026 58.061 58.000 0.058 0.000 1.275 541 F CB -1.531 37.519 39.000 0.083 0.000 1.008 541 F HN 0.258 nan 8.300 nan 0.000 0.480 542 Y N 1.318 121.699 120.300 0.136 0.000 2.242 542 Y HA -0.179 4.371 4.550 -0.001 0.000 0.291 542 Y C 1.997 177.927 175.900 0.050 0.000 1.137 542 Y CA 1.621 59.778 58.100 0.095 0.000 1.181 542 Y CB -0.455 38.130 38.460 0.209 0.000 0.989 542 Y HN -0.063 nan 8.280 nan 0.000 0.527 543 D N 0.135 120.566 120.400 0.052 0.000 2.144 543 D HA -0.164 4.475 4.640 -0.001 0.000 0.199 543 D C 1.622 177.867 176.300 -0.091 0.000 0.984 543 D CA 1.525 55.502 54.000 -0.037 0.000 0.834 543 D CB -0.351 40.449 40.800 -0.000 0.000 0.955 543 D HN 0.426 nan 8.370 nan 0.000 0.465 544 D N 0.420 120.796 120.400 -0.041 0.000 2.144 544 D HA -0.084 4.556 4.640 -0.001 0.000 0.199 544 D C 1.992 178.241 176.300 -0.085 0.000 0.984 544 D CA 1.232 55.210 54.000 -0.036 0.000 0.834 544 D CB -0.252 40.563 40.800 0.024 0.000 0.955 544 D HN 0.154 nan 8.370 nan 0.000 0.465 545 A N 0.691 123.433 122.820 -0.131 0.000 1.929 545 A HA 0.069 4.388 4.320 -0.001 0.000 0.216 545 A C 2.251 179.694 177.584 -0.234 0.000 1.176 545 A CA 1.782 53.717 52.037 -0.169 0.000 0.628 545 A CB -0.524 18.380 19.000 -0.160 0.000 0.816 545 A HN 0.219 nan 8.150 nan 0.000 0.444 546 A N -0.253 122.351 122.820 -0.359 0.000 1.968 546 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 546 A C 2.084 179.582 177.584 -0.143 0.000 1.169 546 A CA 1.788 53.652 52.037 -0.289 0.000 0.638 546 A CB -0.358 18.421 19.000 -0.368 0.000 0.812 546 A HN 0.542 nan 8.150 nan 0.000 0.446 547 K N -0.420 119.909 120.400 -0.119 0.000 2.025 547 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 547 K C 2.307 178.863 176.600 -0.073 0.000 1.049 547 K CA 1.576 57.819 56.287 -0.073 0.000 0.933 547 K CB -0.207 32.258 32.500 -0.059 0.000 0.714 547 K HN 0.608 nan 8.250 nan 0.000 0.438 548 Q N -0.235 119.512 119.800 -0.088 0.000 2.084 548 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 548 Q C 1.951 177.889 176.000 -0.102 0.000 0.978 548 Q CA 1.869 57.619 55.803 -0.089 0.000 0.844 548 Q CB -0.333 28.347 28.738 -0.096 0.000 0.898 548 Q HN 0.483 nan 8.270 nan 0.000 0.426 549 G N 1.378 110.102 108.800 -0.126 0.000 2.440 549 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.218 549 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.218 549 G C 1.414 176.266 174.900 -0.080 0.000 1.154 549 G CA 1.035 46.056 45.100 -0.132 0.000 0.767 549 G HN 0.349 nan 8.290 nan 0.000 0.552 550 K N 0.599 120.964 120.400 -0.059 0.000 2.002 550 K HA -0.012 4.307 4.320 -0.001 0.000 0.209 550 K C 2.865 179.444 176.600 -0.035 0.000 1.048 550 K CA 1.304 57.570 56.287 -0.034 0.000 0.930 550 K CB -0.390 32.094 32.500 -0.027 0.000 0.714 550 K HN 0.196 nan 8.250 nan 0.000 0.438 551 A N 1.270 124.064 122.820 -0.042 0.000 1.873 551 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 551 A C 2.244 179.804 177.584 -0.040 0.000 1.193 551 A CA 2.210 54.225 52.037 -0.038 0.000 0.629 551 A CB -0.945 18.030 19.000 -0.041 0.000 0.826 551 A HN 0.505 nan 8.150 nan 0.000 0.447 552 A N -1.594 121.192 122.820 -0.056 0.000 2.255 552 A HA 0.380 4.699 4.320 -0.001 0.000 0.206 552 A C 1.793 179.348 177.584 -0.049 0.000 1.193 552 A CA 1.261 53.261 52.037 -0.061 0.000 0.794 552 A CB -1.366 17.577 19.000 -0.094 0.000 0.794 552 A HN 2.095 nan 8.150 nan 0.000 0.481 553 G N -1.712 107.067 108.800 -0.034 0.000 2.160 553 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.251 553 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.251 553 G C 0.041 174.934 174.900 -0.012 0.000 1.008 553 G CA 0.315 45.405 45.100 -0.018 0.000 0.724 553 G HN 0.853 nan 8.290 nan 0.000 0.514 554 V N 1.280 121.177 119.914 -0.027 0.000 2.357 554 V HA 0.438 4.558 4.120 -0.001 0.000 0.284 554 V C 0.599 176.709 176.094 0.026 0.000 1.018 554 V CA -0.410 61.886 62.300 -0.007 0.000 0.841 554 V CB 1.463 33.244 31.823 -0.070 0.000 0.991 554 V HN 0.605 nan 8.190 nan 0.000 0.437 555 E N 5.985 126.222 120.200 0.062 0.000 2.344 555 E HA 0.517 4.867 4.350 -0.001 0.000 0.270 555 E C -0.752 175.916 176.600 0.113 0.000 1.021 555 E CA -0.183 56.261 56.400 0.074 0.000 0.887 555 E CB 1.029 30.774 29.700 0.075 0.000 0.997 555 E HN 0.576 nan 8.360 nan 0.000 0.429 556 M N 3.217 122.879 119.600 0.105 0.000 2.378 556 M HA 0.341 4.820 4.480 -0.001 0.000 0.289 556 M C -2.375 174.031 176.300 0.176 0.000 1.136 556 M CA -2.097 53.293 55.300 0.150 0.000 0.917 556 M CB 2.348 35.014 32.600 0.110 0.000 1.669 556 M HN 0.620 nan 8.290 nan 0.000 0.461 557 P HA 0.388 nan 4.420 nan 0.000 0.274 557 P C -0.981 176.512 177.300 0.321 0.000 1.260 557 P CA -0.484 62.755 63.100 0.231 0.000 0.793 557 P CB 0.317 32.142 31.700 0.209 0.000 1.048 558 A N -0.235 122.733 122.820 0.246 0.000 2.304 558 A HA 0.211 4.531 4.320 -0.001 0.000 0.271 558 A C 1.002 178.756 177.584 0.284 0.000 1.091 558 A CA -0.505 51.701 52.037 0.283 0.000 0.812 558 A CB -0.411 18.701 19.000 0.186 0.000 1.056 558 A HN 0.599 nan 8.150 nan 0.000 0.489 559 F N 0.825 120.881 119.950 0.176 0.000 2.065 559 F HA -0.241 4.285 4.527 -0.001 0.000 0.298 559 F C 1.785 177.626 175.800 0.069 0.000 1.112 559 F CA 2.785 60.788 58.000 0.005 0.000 1.212 559 F CB -0.257 38.774 39.000 0.052 0.000 0.975 559 F HN 0.802 nan 8.300 nan 0.000 0.476 560 D N -0.114 120.281 120.400 -0.008 0.000 2.149 560 D HA -0.186 4.453 4.640 -0.001 0.000 0.198 560 D C 2.127 178.360 176.300 -0.112 0.000 0.990 560 D CA 1.409 55.345 54.000 -0.107 0.000 0.839 560 D CB -0.272 40.537 40.800 0.015 0.000 0.948 560 D HN 0.347 nan 8.370 nan 0.000 0.460 561 A N -0.617 122.180 122.820 -0.037 0.000 1.968 561 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 561 A C 2.021 179.565 177.584 -0.067 0.000 1.169 561 A CA 1.002 53.022 52.037 -0.028 0.000 0.638 561 A CB -0.981 18.039 19.000 0.033 0.000 0.812 561 A HN 0.468 nan 8.150 nan 0.000 0.446 562 F N -0.897 118.919 119.950 -0.223 0.000 2.113 562 F HA -0.131 4.395 4.527 -0.001 0.000 0.297 562 F C 2.119 177.717 175.800 -0.336 0.000 1.103 562 F CA 1.430 59.262 58.000 -0.281 0.000 1.248 562 F CB -0.486 38.236 39.000 -0.464 0.000 0.999 562 F HN 0.464 nan 8.300 nan 0.000 0.475 563 W N 1.532 122.220 121.300 -1.020 0.000 2.338 563 W HA -0.251 4.409 4.660 -0.001 0.000 0.304 563 W C 2.361 178.493 176.519 -0.646 0.000 1.212 563 W CA 2.417 59.159 57.345 -1.005 0.000 1.264 563 W CB -0.652 28.295 29.460 -0.854 0.000 1.142 563 W HN 0.244 nan 8.180 nan 0.000 0.512 564 A N 0.618 123.257 122.820 -0.301 0.000 1.902 564 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 564 A C 1.795 179.191 177.584 -0.314 0.000 1.181 564 A CA 1.999 53.894 52.037 -0.237 0.000 0.623 564 A CB -0.923 18.004 19.000 -0.122 0.000 0.818 564 A HN 0.473 nan 8.150 nan 0.000 0.443 565 E N -1.888 118.114 120.200 -0.329 0.000 2.072 565 E HA 0.134 4.483 4.350 -0.001 0.000 0.191 565 E C 1.468 177.812 176.600 -0.426 0.000 0.985 565 E CA 0.640 56.868 56.400 -0.288 0.000 0.801 565 E CB -0.234 29.351 29.700 -0.191 0.000 0.750 565 E HN 0.807 nan 8.360 nan 0.000 0.452 566 G N 1.228 109.598 108.800 -0.718 0.000 2.176 566 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.232 566 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.232 566 G C 0.113 174.614 174.900 -0.664 0.000 0.986 566 G CA 0.258 44.842 45.100 -0.860 0.000 0.643 566 G HN 0.321 nan 8.290 nan 0.000 0.522 567 I N -0.623 119.708 120.570 -0.397 0.000 2.800 567 I HA 0.542 4.711 4.170 -0.001 0.000 0.294 567 I C -1.500 174.669 176.117 0.087 0.000 1.538 567 I CA -1.048 60.200 61.300 -0.087 0.000 1.010 567 I CB 2.047 39.935 38.000 -0.186 0.000 1.381 567 I HN 0.030 nan 8.210 nan 0.000 0.462 568 V N 5.665 125.641 119.914 0.103 0.000 2.638 568 V HA 0.504 4.623 4.120 -0.001 0.000 0.306 568 V C -0.701 175.221 176.094 -0.285 0.000 1.052 568 V CA -0.580 61.715 62.300 -0.009 0.000 0.885 568 V CB 1.945 33.799 31.823 0.052 0.000 0.999 568 V HN 0.682 nan 8.190 nan 0.000 0.424 569 E N 3.181 123.244 120.200 -0.229 0.000 2.221 569 E HA 0.678 5.027 4.350 -0.001 0.000 0.268 569 E C -1.594 174.862 176.600 -0.239 0.000 0.933 569 E CA -0.572 55.664 56.400 -0.272 0.000 0.809 569 E CB 2.323 32.010 29.700 -0.022 0.000 1.190 569 E HN 0.461 nan 8.360 nan 0.000 0.406 570 F N 1.155 121.154 119.950 0.083 0.000 2.523 570 F HA 0.438 4.964 4.527 -0.001 0.000 0.329 570 F C -1.992 173.846 175.800 0.062 0.000 1.061 570 F CA -2.714 55.323 58.000 0.062 0.000 0.967 570 F CB 0.454 39.482 39.000 0.046 0.000 1.218 570 F HN 0.218 nan 8.300 nan 0.000 0.480 571 P HA 0.357 nan 4.420 nan 0.000 0.288 571 P C -0.994 176.384 177.300 0.130 0.000 1.267 571 P CA -0.418 62.777 63.100 0.158 0.000 0.815 571 P CB 1.562 33.334 31.700 0.121 0.000 0.989 572 V N 2.908 122.888 119.914 0.110 0.000 2.461 572 V HA 0.189 4.308 4.120 -0.001 0.000 0.275 572 V C 1.497 177.635 176.094 0.074 0.000 1.047 572 V CA 0.397 62.753 62.300 0.094 0.000 0.955 572 V CB 0.708 32.590 31.823 0.099 0.000 0.988 572 V HN 0.856 nan 8.190 nan 0.000 0.471 573 T N 1.104 115.694 114.554 0.061 0.000 3.610 573 T HA 0.070 4.419 4.350 -0.001 0.000 0.209 573 T C 0.918 175.652 174.700 0.057 0.000 0.889 573 T CA 0.657 62.788 62.100 0.052 0.000 1.469 573 T CB -0.160 68.730 68.868 0.037 0.000 1.557 573 T HN 0.621 nan 8.240 nan 0.000 0.431 574 D N 0.798 121.231 120.400 0.055 0.000 2.395 574 D HA 0.275 4.915 4.640 -0.001 0.000 0.213 574 D C 1.939 178.291 176.300 0.088 0.000 1.110 574 D CA 0.194 54.235 54.000 0.068 0.000 0.835 574 D CB -0.698 40.140 40.800 0.063 0.000 0.965 574 D HN 0.573 nan 8.370 nan 0.000 0.505 575 G N 0.979 109.827 108.800 0.079 0.000 2.450 575 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.220 575 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.220 575 G C 1.557 176.537 174.900 0.134 0.000 1.130 575 G CA 0.819 45.973 45.100 0.089 0.000 0.760 575 G HN 0.461 nan 8.290 nan 0.000 0.557 576 A N 0.315 123.210 122.820 0.125 0.000 2.209 576 A HA 0.103 4.423 4.320 -0.001 0.000 0.212 576 A C 1.615 179.280 177.584 0.135 0.000 1.158 576 A CA 1.504 53.622 52.037 0.136 0.000 0.742 576 A CB -0.009 19.062 19.000 0.119 0.000 0.790 576 A HN 0.272 nan 8.150 nan 0.000 0.472 577 D N -1.612 118.869 120.400 0.134 0.000 2.398 577 D HA 0.130 4.770 4.640 -0.001 0.000 0.210 577 D C -0.034 176.343 176.300 0.128 0.000 1.094 577 D CA -0.306 53.759 54.000 0.110 0.000 0.839 577 D CB -0.078 40.774 40.800 0.087 0.000 0.963 577 D HN 0.401 nan 8.370 nan 0.000 0.506 578 F N 2.114 122.076 119.950 0.021 0.000 2.578 578 F HA 0.115 4.641 4.527 -0.001 0.000 0.376 578 F C -0.194 175.601 175.800 -0.009 0.000 1.085 578 F CA -0.084 57.916 58.000 0.001 0.000 1.260 578 F CB 0.608 39.603 39.000 -0.009 0.000 1.095 578 F HN -0.352 nan 8.300 nan 0.000 0.573 579 V N 7.682 127.083 119.914 -0.854 0.000 2.409 579 V HA 0.328 4.447 4.120 -0.001 0.000 0.290 579 V C 0.012 175.511 176.094 -0.992 0.000 1.017 579 V CA -1.020 60.869 62.300 -0.685 0.000 0.841 579 V CB 1.395 33.036 31.823 -0.302 0.000 1.003 579 V HN 0.750 nan 8.190 nan 0.000 0.426 580 R N 3.105 123.090 120.500 -0.858 0.000 2.570 580 R HA 0.177 4.516 4.340 -0.001 0.000 0.277 580 R C 0.089 176.275 176.300 -0.189 0.000 1.039 580 R CA 0.492 56.258 56.100 -0.557 0.000 1.065 580 R CB 0.014 30.148 30.300 -0.276 0.000 0.964 580 R HN 0.710 nan 8.270 nan 0.000 0.428 581 Y N 0.229 120.447 120.300 -0.137 0.000 4.881 581 Y HA -0.361 4.188 4.550 -0.001 0.000 0.241 581 Y C 1.314 177.250 175.900 0.061 0.000 0.985 581 Y CA 0.828 58.940 58.100 0.020 0.000 1.976 581 Y CB -2.050 36.452 38.460 0.070 0.000 1.528 581 Y HN 0.786 nan 8.280 nan 0.000 0.581 582 A N 0.160 123.002 122.820 0.036 0.000 1.902 582 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 582 A C 2.272 179.908 177.584 0.088 0.000 1.181 582 A CA 2.348 54.404 52.037 0.033 0.000 0.623 582 A CB -0.865 18.106 19.000 -0.049 0.000 0.818 582 A HN 0.786 nan 8.150 nan 0.000 0.443 583 S N -1.342 114.419 115.700 0.101 0.000 2.428 583 S HA -0.117 4.352 4.470 -0.001 0.000 0.230 583 S C 1.795 176.514 174.600 0.199 0.000 1.014 583 S CA 1.186 59.458 58.200 0.121 0.000 0.957 583 S CB -0.670 62.589 63.200 0.098 0.000 0.784 583 S HN 0.541 nan 8.310 nan 0.000 0.499 584 F N 3.003 123.031 119.950 0.130 0.000 2.102 584 F HA 0.051 4.577 4.527 -0.001 0.000 0.298 584 F C 2.606 178.557 175.800 0.252 0.000 1.105 584 F CA 1.627 59.749 58.000 0.204 0.000 1.239 584 F CB -0.535 38.648 39.000 0.305 0.000 0.991 584 F HN 0.121 nan 8.300 nan 0.000 0.474 585 R N 0.354 120.904 120.500 0.084 0.000 2.081 585 R HA -0.204 4.135 4.340 -0.001 0.000 0.235 585 R C 2.363 178.677 176.300 0.024 0.000 1.131 585 R CA 1.896 57.938 56.100 -0.097 0.000 0.960 585 R CB -0.504 29.771 30.300 -0.041 0.000 0.856 585 R HN 0.459 nan 8.270 nan 0.000 0.436 586 E N -0.452 119.778 120.200 0.049 0.000 2.085 586 E HA -0.178 4.172 4.350 -0.001 0.000 0.194 586 E C -0.320 176.305 176.600 0.041 0.000 0.994 586 E CA 1.205 57.633 56.400 0.047 0.000 0.801 586 E CB 0.248 29.977 29.700 0.049 0.000 0.743 586 E HN 0.148 nan 8.360 nan 0.000 0.453 587 D N -2.177 118.242 120.400 0.033 0.000 2.296 587 D HA 0.037 4.677 4.640 -0.001 0.000 0.224 587 D C -2.338 173.951 176.300 -0.018 0.000 1.324 587 D CA -1.184 52.813 54.000 -0.004 0.000 0.940 587 D CB 1.297 42.100 40.800 0.005 0.000 1.492 587 D HN -0.141 nan 8.370 nan 0.000 0.531 588 P HA -0.047 nan 4.420 nan 0.000 0.223 588 P C 1.576 178.877 177.300 0.001 0.000 1.151 588 P CA 0.096 63.118 63.100 -0.130 0.000 0.787 588 P CB 0.790 32.203 31.700 -0.478 0.000 0.788 589 L N -1.234 119.964 121.223 -0.042 0.000 2.179 589 L HA -0.005 4.335 4.340 -0.001 0.000 0.208 589 L C 2.399 179.283 176.870 0.022 0.000 1.096 589 L CA 1.121 55.955 54.840 -0.010 0.000 0.779 589 L CB -1.677 40.360 42.059 -0.036 0.000 0.922 589 L HN 0.039 nan 8.230 nan 0.000 0.443 590 L N -0.340 120.898 121.223 0.024 0.000 2.341 590 L HA 0.078 4.417 4.340 -0.001 0.000 0.214 590 L C 0.638 177.547 176.870 0.064 0.000 1.115 590 L CA 1.028 55.890 54.840 0.036 0.000 0.820 590 L CB -0.023 42.051 42.059 0.026 0.000 0.944 590 L HN 0.246 nan 8.230 nan 0.000 0.452 591 N N 0.634 119.396 118.700 0.103 0.000 2.765 591 N HA 0.293 5.032 4.740 -0.001 0.000 0.277 591 N C -2.659 173.002 175.510 0.253 0.000 1.750 591 N CA -0.943 52.198 53.050 0.152 0.000 0.827 591 N CB 0.773 39.361 38.487 0.168 0.000 1.200 591 N HN 0.159 nan 8.380 nan 0.000 0.494 592 P HA 0.192 nan 4.420 nan 0.000 0.274 592 P C 0.290 177.687 177.300 0.162 0.000 1.246 592 P CA -0.324 62.917 63.100 0.235 0.000 0.795 592 P CB 1.566 33.348 31.700 0.136 0.000 1.006 593 L N 0.247 121.527 121.223 0.095 0.000 2.456 593 L HA 0.317 4.656 4.340 -0.001 0.000 0.257 593 L C 2.089 178.962 176.870 0.005 0.000 1.162 593 L CA -0.313 54.515 54.840 -0.021 0.000 0.808 593 L CB -0.042 41.938 42.059 -0.131 0.000 1.136 593 L HN 0.497 nan 8.230 nan 0.000 0.466 594 G N -0.344 108.447 108.800 -0.016 0.000 3.155 594 G HA2 0.000 3.960 3.960 -0.001 0.000 0.213 594 G HA3 0.000 3.960 3.960 -0.001 0.000 0.213 594 G C 0.613 175.498 174.900 -0.026 0.000 1.196 594 G CA 0.105 45.193 45.100 -0.020 0.000 0.846 594 G HN 0.672 nan 8.290 nan 0.000 0.516 595 T N -2.651 111.894 114.554 -0.014 0.000 2.847 595 T HA 0.413 4.762 4.350 -0.001 0.000 0.279 595 T C -1.264 173.442 174.700 0.010 0.000 0.984 595 T CA -1.473 60.622 62.100 -0.008 0.000 0.988 595 T CB 1.784 70.655 68.868 0.005 0.000 1.040 595 T HN -0.161 nan 8.240 nan 0.000 0.528 596 P HA -0.090 nan 4.420 nan 0.000 0.215 596 P C 1.723 179.043 177.300 0.033 0.000 1.153 596 P CA 1.504 64.618 63.100 0.023 0.000 0.853 596 P CB -0.320 31.397 31.700 0.028 0.000 0.788 597 T N -5.589 108.993 114.554 0.047 0.000 3.067 597 T HA 0.253 4.602 4.350 -0.001 0.000 0.261 597 T C 1.648 176.384 174.700 0.061 0.000 1.110 597 T CA 0.716 62.848 62.100 0.053 0.000 1.113 597 T CB -0.844 68.065 68.868 0.069 0.000 0.917 597 T HN 0.258 nan 8.240 nan 0.000 0.499 598 G N 0.928 109.767 108.800 0.065 0.000 2.179 598 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.260 598 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.260 598 G C -0.080 174.912 174.900 0.154 0.000 0.977 598 G CA 0.399 45.554 45.100 0.093 0.000 0.641 598 G HN 0.631 nan 8.290 nan 0.000 0.533 599 L N -0.381 120.923 121.223 0.136 0.000 2.235 599 L HA 0.663 5.003 4.340 -0.001 0.000 0.260 599 L C 0.855 177.795 176.870 0.116 0.000 1.025 599 L CA -1.613 53.349 54.840 0.202 0.000 0.836 599 L CB 1.261 43.430 42.059 0.183 0.000 1.395 599 L HN -0.041 nan 8.230 nan 0.000 0.443 600 I N 1.249 121.911 120.570 0.152 0.000 2.505 600 I HA 0.013 4.183 4.170 -0.001 0.000 0.287 600 I C 0.027 176.230 176.117 0.143 0.000 1.104 600 I CA 0.266 61.631 61.300 0.108 0.000 1.387 600 I CB 0.119 38.215 38.000 0.159 0.000 1.404 600 I HN 0.462 nan 8.210 nan 0.000 0.528 601 E N 7.373 127.647 120.200 0.124 0.000 2.014 601 E HA 0.212 4.561 4.350 -0.001 0.000 0.275 601 E C 0.729 177.504 176.600 0.292 0.000 0.997 601 E CA -0.200 56.307 56.400 0.178 0.000 0.804 601 E CB 1.375 31.154 29.700 0.132 0.000 1.090 601 E HN 0.643 nan 8.360 nan 0.000 0.401 602 I N 1.860 122.605 120.570 0.291 0.000 2.500 602 I HA -0.139 4.030 4.170 -0.001 0.000 0.252 602 I C 0.518 176.804 176.117 0.282 0.000 1.142 602 I CA 0.850 62.298 61.300 0.248 0.000 1.451 602 I CB 0.195 38.269 38.000 0.123 0.000 1.093 602 I HN 0.442 nan 8.210 nan 0.000 0.430 603 Y N 0.664 121.090 120.300 0.210 0.000 2.341 603 Y HA 0.411 4.960 4.550 -0.001 0.000 0.338 603 Y C -0.095 175.940 175.900 0.226 0.000 0.965 603 Y CA -0.954 57.278 58.100 0.220 0.000 1.108 603 Y CB 1.612 40.161 38.460 0.148 0.000 1.180 603 Y HN -0.249 nan 8.280 nan 0.000 0.458 604 S N 5.748 121.434 115.700 -0.023 0.000 2.474 604 S HA 0.326 4.795 4.470 -0.001 0.000 0.321 604 S C 0.511 175.075 174.600 -0.060 0.000 1.080 604 S CA -0.668 57.537 58.200 0.009 0.000 1.106 604 S CB 0.740 63.893 63.200 -0.077 0.000 0.984 604 S HN 0.936 nan 8.310 nan 0.000 0.464 605 K N 3.573 124.031 120.400 0.097 0.000 2.148 605 K HA -0.037 4.283 4.320 -0.001 0.000 0.204 605 K C 1.714 178.309 176.600 -0.009 0.000 1.050 605 K CA 1.226 57.576 56.287 0.104 0.000 0.942 605 K CB -0.098 32.483 32.500 0.135 0.000 0.724 605 K HN 0.659 nan 8.250 nan 0.000 0.446 606 N N 0.698 119.373 118.700 -0.042 0.000 2.120 606 N HA -0.131 4.609 4.740 -0.001 0.000 0.188 606 N C 1.787 177.180 175.510 -0.194 0.000 1.024 606 N CA 0.945 53.942 53.050 -0.090 0.000 0.852 606 N CB -0.051 38.410 38.487 -0.043 0.000 1.003 606 N HN 0.098 nan 8.380 nan 0.000 0.424 607 I N 1.058 121.469 120.570 -0.266 0.000 2.439 607 I HA -0.192 3.977 4.170 -0.001 0.000 0.251 607 I C 2.529 178.495 176.117 -0.252 0.000 1.139 607 I CA 0.809 61.917 61.300 -0.321 0.000 1.438 607 I CB -0.194 37.608 38.000 -0.330 0.000 1.085 607 I HN 0.236 nan 8.210 nan 0.000 0.427 608 E N 1.488 121.570 120.200 -0.198 0.000 2.058 608 E HA -0.287 4.063 4.350 -0.001 0.000 0.194 608 E C 1.943 178.466 176.600 -0.129 0.000 0.997 608 E CA 1.472 57.789 56.400 -0.138 0.000 0.801 608 E CB 0.161 29.846 29.700 -0.024 0.000 0.746 608 E HN 0.187 nan 8.360 nan 0.000 0.450 609 K N 0.086 120.410 120.400 -0.126 0.000 2.280 609 K HA -0.044 4.275 4.320 -0.001 0.000 0.202 609 K C 1.930 178.406 176.600 -0.206 0.000 1.047 609 K CA 1.078 57.289 56.287 -0.127 0.000 0.942 609 K CB -0.145 32.297 32.500 -0.097 0.000 0.739 609 K HN 0.271 nan 8.250 nan 0.000 0.457 610 M N -1.094 118.309 119.600 -0.329 0.000 2.296 610 M HA 0.016 4.496 4.480 -0.001 0.000 0.265 610 M C 0.982 176.924 176.300 -0.596 0.000 1.064 610 M CA 1.193 56.151 55.300 -0.570 0.000 1.109 610 M CB -0.162 31.873 32.600 -0.941 0.000 1.396 610 M HN 0.335 nan 8.290 nan 0.000 0.430 611 G N 0.570 109.148 108.800 -0.369 0.000 2.273 611 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.280 611 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.280 611 G C -0.667 174.197 174.900 -0.060 0.000 1.047 611 G CA -0.285 44.704 45.100 -0.185 0.000 0.869 611 G HN 0.373 nan 8.290 nan 0.000 0.502 612 Y N 0.521 120.791 120.300 -0.051 0.000 2.365 612 Y HA 0.322 4.872 4.550 -0.001 0.000 0.340 612 Y C 1.413 177.290 175.900 -0.037 0.000 1.016 612 Y CA -1.546 56.533 58.100 -0.035 0.000 1.196 612 Y CB 0.954 39.394 38.460 -0.034 0.000 1.167 612 Y HN 0.116 nan 8.280 nan 0.000 0.509 613 D N 1.236 121.720 120.400 0.141 0.000 2.178 613 D HA -0.152 4.487 4.640 -0.001 0.000 0.201 613 D C 1.028 177.349 176.300 0.035 0.000 0.980 613 D CA 1.511 55.545 54.000 0.058 0.000 0.842 613 D CB -0.011 40.820 40.800 0.050 0.000 0.948 613 D HN 0.685 nan 8.370 nan 0.000 0.472 614 D N -1.041 119.403 120.400 0.074 0.000 2.325 614 D HA -0.004 4.636 4.640 -0.001 0.000 0.225 614 D C -0.095 176.247 176.300 0.070 0.000 1.096 614 D CA -0.307 53.742 54.000 0.082 0.000 0.844 614 D CB -0.569 40.330 40.800 0.166 0.000 0.925 614 D HN -0.030 nan 8.370 nan 0.000 0.513 615 C N 1.539 120.882 119.300 0.071 0.000 3.384 615 C HA 0.397 4.856 4.460 -0.001 0.000 0.294 615 C C -2.669 172.338 174.990 0.028 0.000 1.062 615 C CA -1.459 57.606 59.018 0.077 0.000 1.325 615 C CB -0.407 27.418 27.740 0.142 0.000 1.793 615 C HN 0.071 nan 8.230 nan 0.000 0.563 616 P HA 0.248 nan 4.420 nan 0.000 0.274 616 P C 0.381 177.568 177.300 -0.189 0.000 1.260 616 P CA 0.123 63.101 63.100 -0.203 0.000 0.793 616 P CB 0.716 32.192 31.700 -0.374 0.000 1.048 617 A N -0.284 122.338 122.820 -0.330 0.000 2.278 617 A HA 0.107 4.426 4.320 -0.001 0.000 0.212 617 A C 0.318 177.648 177.584 -0.424 0.000 1.213 617 A CA 0.767 52.584 52.037 -0.367 0.000 0.840 617 A CB -1.324 17.270 19.000 -0.675 0.000 0.866 617 A HN 0.805 nan 8.150 nan 0.000 0.489 618 H N -4.486 114.270 119.070 -0.523 0.000 3.016 618 H HA 0.628 5.183 4.556 -0.001 0.000 0.362 618 H C -3.580 171.080 175.328 -1.112 0.000 1.233 618 H CA -2.911 52.645 56.048 -0.819 0.000 1.124 618 H CB -0.011 29.590 29.762 -0.269 0.000 1.850 618 H HN -0.179 nan 8.280 nan 0.000 0.549 619 P HA 0.130 nan 4.420 nan 0.000 0.262 619 P C -0.672 176.497 177.300 -0.218 0.000 1.182 619 P CA 0.386 63.043 63.100 -0.739 0.000 0.761 619 P CB 0.447 31.755 31.700 -0.653 0.000 0.795 620 T N 3.403 117.839 114.554 -0.196 0.000 2.952 620 T HA 0.231 4.580 4.350 -0.001 0.000 0.305 620 T C -1.321 173.433 174.700 0.091 0.000 1.064 620 T CA -0.556 61.467 62.100 -0.128 0.000 1.008 620 T CB 1.091 69.724 68.868 -0.393 0.000 1.078 620 T HN 0.411 nan 8.240 nan 0.000 0.459 621 W N 5.917 127.316 121.300 0.165 0.000 2.345 621 W HA 0.591 5.250 4.660 -0.001 0.000 0.308 621 W C -1.552 175.004 176.519 0.061 0.000 1.273 621 W CA -0.501 56.949 57.345 0.174 0.000 1.243 621 W CB 0.292 29.992 29.460 0.400 0.000 1.260 621 W HN 0.552 nan 8.180 nan 0.000 0.509 622 M N 4.902 123.878 119.600 -1.040 0.000 2.457 622 M HA 0.150 4.630 4.480 -0.001 0.000 0.300 622 M C -0.120 175.540 176.300 -1.066 0.000 1.141 622 M CA -0.794 53.956 55.300 -0.917 0.000 0.901 622 M CB 2.495 34.510 32.600 -0.975 0.000 1.687 622 M HN 0.248 nan 8.290 nan 0.000 0.449 623 E N 3.895 123.769 120.200 -0.544 0.000 2.344 623 E HA 0.251 4.600 4.350 -0.001 0.000 0.270 623 E C -2.268 174.295 176.600 -0.061 0.000 1.021 623 E CA -1.151 55.088 56.400 -0.268 0.000 0.887 623 E CB 0.367 30.055 29.700 -0.019 0.000 0.997 623 E HN 0.314 nan 8.360 nan 0.000 0.429 624 P HA 0.059 nan 4.420 nan 0.000 0.278 624 P C 0.963 178.403 177.300 0.234 0.000 1.266 624 P CA -0.574 62.621 63.100 0.157 0.000 0.807 624 P CB 0.885 32.668 31.700 0.138 0.000 1.094 625 L N -0.351 121.061 121.223 0.315 0.000 2.021 625 L HA -0.144 4.195 4.340 -0.001 0.000 0.215 625 L C 0.778 177.705 176.870 0.095 0.000 1.074 625 L CA 2.030 56.934 54.840 0.107 0.000 0.760 625 L CB -0.703 41.321 42.059 -0.059 0.000 0.889 625 L HN 0.626 nan 8.230 nan 0.000 0.433 626 E N -0.967 119.301 120.200 0.112 0.000 2.335 626 E HA 0.509 4.858 4.350 -0.001 0.000 0.280 626 E C -1.013 175.678 176.600 0.152 0.000 0.918 626 E CA -0.958 55.513 56.400 0.117 0.000 0.765 626 E CB 1.534 31.296 29.700 0.102 0.000 1.218 626 E HN 0.404 nan 8.360 nan 0.000 0.425 627 R N 1.297 121.892 120.500 0.158 0.000 2.739 627 R HA 0.484 4.823 4.340 -0.001 0.000 0.271 627 R C -1.289 175.105 176.300 0.157 0.000 1.010 627 R CA -1.143 55.069 56.100 0.186 0.000 0.897 627 R CB 1.007 31.422 30.300 0.193 0.000 1.236 627 R HN 0.468 nan 8.270 nan 0.000 0.466 628 L N 3.036 124.354 121.223 0.158 0.000 2.584 628 L HA 0.095 4.435 4.340 -0.001 0.000 0.272 628 L C -0.370 176.544 176.870 0.074 0.000 1.195 628 L CA 1.292 56.201 54.840 0.115 0.000 0.920 628 L CB -0.391 41.725 42.059 0.095 0.000 1.173 628 L HN 0.846 nan 8.230 nan 0.000 0.489 629 D N 2.149 122.585 120.400 0.060 0.000 3.059 629 D HA -0.172 4.467 4.640 -0.001 0.000 0.220 629 D C 0.577 176.905 176.300 0.048 0.000 1.169 629 D CA 1.198 55.221 54.000 0.038 0.000 0.902 629 D CB -1.514 39.293 40.800 0.012 0.000 1.116 629 D HN 0.896 nan 8.370 nan 0.000 0.417 630 G N 0.847 109.691 108.800 0.074 0.000 2.544 630 G HA2 0.405 4.364 3.960 -0.001 0.000 0.242 630 G HA3 0.405 4.364 3.960 -0.001 0.000 0.242 630 G C -2.061 172.880 174.900 0.069 0.000 1.247 630 G CA -0.765 44.389 45.100 0.090 0.000 0.840 630 G HN -0.027 nan 8.290 nan 0.000 0.578 631 P HA 0.148 nan 4.420 nan 0.000 0.267 631 P C 0.878 178.207 177.300 0.049 0.000 1.209 631 P CA 1.088 64.220 63.100 0.055 0.000 0.763 631 P CB 0.877 32.614 31.700 0.063 0.000 0.816 632 G N 2.252 111.072 108.800 0.033 0.000 2.155 632 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.257 632 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.257 632 G C 0.444 175.356 174.900 0.019 0.000 0.983 632 G CA 0.060 45.174 45.100 0.022 0.000 0.676 632 G HN 0.902 nan 8.290 nan 0.000 0.528 633 A N -0.279 122.558 122.820 0.029 0.000 2.511 633 A HA 0.589 4.908 4.320 -0.001 0.000 0.242 633 A C 1.338 178.915 177.584 -0.011 0.000 1.069 633 A CA 1.396 53.453 52.037 0.034 0.000 0.763 633 A CB 0.407 19.442 19.000 0.060 0.000 1.001 633 A HN 0.581 nan 8.150 nan 0.000 0.498 634 K N 1.402 121.778 120.400 -0.040 0.000 2.044 634 K HA -0.005 4.314 4.320 -0.001 0.000 0.204 634 K C -0.536 175.862 176.600 -0.337 0.000 1.049 634 K CA 0.911 57.070 56.287 -0.213 0.000 0.945 634 K CB -0.108 32.206 32.500 -0.310 0.000 0.724 634 K HN 0.719 nan 8.250 nan 0.000 0.440 635 Y N 0.191 120.492 120.300 0.001 0.000 2.419 635 Y HA 0.218 4.768 4.550 -0.001 0.000 0.328 635 Y C -1.653 174.244 175.900 -0.004 0.000 1.162 635 Y CA -2.354 55.735 58.100 -0.017 0.000 1.174 635 Y CB 1.421 39.855 38.460 -0.043 0.000 1.228 635 Y HN 0.095 nan 8.280 nan 0.000 0.473 636 P HA 0.142 nan 4.420 nan 0.000 0.252 636 P C -0.565 176.784 177.300 0.082 0.000 1.218 636 P CA 0.755 63.906 63.100 0.085 0.000 0.807 636 P CB 1.196 32.930 31.700 0.057 0.000 1.072 637 L N -0.126 121.146 121.223 0.083 0.000 2.362 637 L HA 0.453 4.792 4.340 -0.001 0.000 0.271 637 L C 0.011 176.931 176.870 0.084 0.000 1.002 637 L CA -1.172 53.711 54.840 0.072 0.000 0.818 637 L CB 1.964 44.045 42.059 0.038 0.000 1.298 637 L HN -0.082 nan 8.230 nan 0.000 0.420 638 H N 2.899 121.991 119.070 0.035 0.000 2.548 638 H HA 0.471 5.026 4.556 -0.001 0.000 0.331 638 H C -0.704 174.645 175.328 0.035 0.000 1.093 638 H CA -0.245 55.829 56.048 0.042 0.000 1.367 638 H CB 0.958 30.754 29.762 0.057 0.000 1.455 638 H HN 0.391 nan 8.280 nan 0.000 0.519 639 I N 4.570 124.893 120.570 -0.412 0.000 2.304 639 I HA 0.246 4.416 4.170 -0.001 0.000 0.291 639 I C 0.080 176.151 176.117 -0.077 0.000 1.018 639 I CA -0.825 60.376 61.300 -0.165 0.000 1.260 639 I CB 1.309 39.221 38.000 -0.147 0.000 1.390 639 I HN 0.715 nan 8.210 nan 0.000 0.475 640 A N 6.026 128.939 122.820 0.155 0.000 2.797 640 A HA 0.502 4.822 4.320 -0.001 0.000 0.296 640 A C 0.823 178.514 177.584 0.179 0.000 1.580 640 A CA -0.334 51.847 52.037 0.241 0.000 1.277 640 A CB -0.291 18.847 19.000 0.229 0.000 1.101 640 A HN 0.837 nan 8.150 nan 0.000 0.562 641 A N 3.165 126.088 122.820 0.171 0.000 3.091 641 A HA 0.504 4.824 4.320 -0.001 0.000 0.264 641 A C 0.992 178.744 177.584 0.281 0.000 1.673 641 A CA 0.251 52.396 52.037 0.180 0.000 1.362 641 A CB -0.913 18.152 19.000 0.109 0.000 1.137 641 A HN 1.159 nan 8.150 nan 0.000 0.617 642 S N 0.204 116.125 115.700 0.369 0.000 2.745 642 S HA 0.455 4.925 4.470 -0.001 0.000 0.292 642 S C 0.001 174.891 174.600 0.484 0.000 1.127 642 S CA -0.643 57.828 58.200 0.452 0.000 1.007 642 S CB 0.266 63.704 63.200 0.396 0.000 1.165 642 S HN 0.615 nan 8.310 nan 0.000 0.544 643 H N 2.061 121.211 119.070 0.134 0.000 2.683 643 H HA 0.281 4.836 4.556 -0.001 0.000 0.339 643 H C -2.100 172.971 175.328 -0.429 0.000 1.081 643 H CA -1.568 54.454 56.048 -0.042 0.000 1.432 643 H CB 0.606 30.351 29.762 -0.028 0.000 1.462 643 H HN 0.513 nan 8.280 nan 0.000 0.557 644 P HA -0.105 nan 4.420 nan 0.000 0.271 644 P C 0.233 177.195 177.300 -0.564 0.000 1.218 644 P CA 0.125 62.718 63.100 -0.845 0.000 0.780 644 P CB 0.797 32.313 31.700 -0.307 0.000 0.901 645 F N 2.714 122.269 119.950 -0.658 0.000 2.234 645 F HA 0.020 4.546 4.527 -0.001 0.000 0.296 645 F C 1.420 177.174 175.800 -0.076 0.000 1.089 645 F CA 1.372 59.242 58.000 -0.216 0.000 1.343 645 F CB 0.050 39.022 39.000 -0.047 0.000 1.040 645 F HN 0.236 nan 8.300 nan 0.000 0.498 646 N N 0.548 119.354 118.700 0.175 0.000 2.338 646 N HA 0.192 4.931 4.740 -0.001 0.000 0.251 646 N C -0.608 175.003 175.510 0.169 0.000 1.199 646 N CA 0.106 53.282 53.050 0.209 0.000 0.879 646 N CB 0.590 39.248 38.487 0.284 0.000 1.159 646 N HN 0.223 nan 8.380 nan 0.000 0.514 647 R N -0.012 120.550 120.500 0.103 0.000 2.817 647 R HA 0.411 4.750 4.340 -0.001 0.000 0.268 647 R C -1.271 175.106 176.300 0.129 0.000 1.027 647 R CA -0.927 55.270 56.100 0.161 0.000 0.928 647 R CB 1.743 32.118 30.300 0.125 0.000 1.228 647 R HN -0.077 nan 8.270 nan 0.000 0.469 648 L N 2.840 124.186 121.223 0.206 0.000 2.297 648 L HA 0.322 4.661 4.340 -0.001 0.000 0.277 648 L C 0.196 177.000 176.870 -0.112 0.000 1.040 648 L CA 0.371 55.146 54.840 -0.108 0.000 0.867 648 L CB -0.452 41.515 42.059 -0.154 0.000 1.244 648 L HN 0.669 nan 8.230 nan 0.000 0.433 649 H N 1.707 120.729 119.070 -0.079 0.000 1.452 649 H HA -0.297 4.259 4.556 -0.001 0.000 0.090 649 H C 1.423 176.829 175.328 0.131 0.000 0.629 649 H CA 1.831 57.855 56.048 -0.040 0.000 1.901 649 H CB -1.649 28.077 29.762 -0.059 0.000 2.257 649 H HN 0.689 nan 8.280 nan 0.000 0.961 650 S N 2.639 118.579 115.700 0.399 0.000 2.503 650 S HA 0.054 4.524 4.470 -0.001 0.000 0.217 650 S C 0.652 175.579 174.600 0.546 0.000 0.999 650 S CA 0.312 58.822 58.200 0.517 0.000 0.914 650 S CB 0.187 63.745 63.200 0.598 0.000 0.782 650 S HN 0.424 nan 8.310 nan 0.000 0.520 651 Q N 1.193 121.263 119.800 0.450 0.000 2.300 651 Q HA 0.323 4.662 4.340 -0.001 0.000 0.280 651 Q C 0.205 176.423 176.000 0.364 0.000 1.033 651 Q CA 0.583 56.665 55.803 0.464 0.000 0.903 651 Q CB 0.303 29.376 28.738 0.558 0.000 1.195 651 Q HN 0.521 nan 8.270 nan 0.000 0.386 652 L N 0.553 121.939 121.223 0.272 0.000 4.885 652 L HA -0.309 4.030 4.340 -0.001 0.000 0.404 652 L C 1.168 178.014 176.870 -0.040 0.000 0.970 652 L CA 0.112 55.013 54.840 0.102 0.000 1.426 652 L CB -1.482 40.612 42.059 0.059 0.000 1.934 652 L HN 0.622 nan 8.230 nan 0.000 0.613 653 N N 1.771 120.365 118.700 -0.176 0.000 2.188 653 N HA -0.039 4.700 4.740 -0.001 0.000 0.184 653 N C 1.466 176.538 175.510 -0.730 0.000 1.018 653 N CA 1.762 54.526 53.050 -0.477 0.000 0.858 653 N CB -0.017 37.960 38.487 -0.850 0.000 0.989 653 N HN 0.473 nan 8.380 nan 0.000 0.426 654 G N 0.090 108.421 108.800 -0.781 0.000 3.471 654 G HA2 0.224 4.183 3.960 -0.001 0.000 0.254 654 G HA3 0.224 4.183 3.960 -0.001 0.000 0.254 654 G C -0.170 174.617 174.900 -0.188 0.000 1.199 654 G CA 0.339 45.185 45.100 -0.423 0.000 1.683 654 G HN 0.446 nan 8.290 nan 0.000 0.625 655 T N -4.056 110.344 114.554 -0.257 0.000 2.778 655 T HA 0.360 4.709 4.350 -0.001 0.000 0.293 655 T C 1.358 175.919 174.700 -0.232 0.000 1.144 655 T CA 0.111 62.108 62.100 -0.172 0.000 1.010 655 T CB 1.343 70.134 68.868 -0.128 0.000 1.325 655 T HN 0.400 nan 8.240 nan 0.000 0.515 656 V N 0.090 119.895 119.914 -0.183 0.000 2.720 656 V HA -0.005 4.115 4.120 -0.001 0.000 0.256 656 V C 2.355 178.318 176.094 -0.220 0.000 1.082 656 V CA 1.245 63.430 62.300 -0.191 0.000 1.101 656 V CB -1.594 30.141 31.823 -0.146 0.000 0.693 656 V HN 0.782 nan 8.190 nan 0.000 0.479 657 L N -0.111 120.990 121.223 -0.202 0.000 2.187 657 L HA -0.151 4.188 4.340 -0.001 0.000 0.213 657 L C 2.924 179.554 176.870 -0.400 0.000 1.100 657 L CA 2.063 56.793 54.840 -0.184 0.000 0.765 657 L CB -0.733 41.293 42.059 -0.055 0.000 0.904 657 L HN 0.335 nan 8.230 nan 0.000 0.437 658 R N 0.619 120.785 120.500 -0.556 0.000 2.105 658 R HA -0.236 4.103 4.340 -0.001 0.000 0.239 658 R C 2.106 177.902 176.300 -0.840 0.000 1.135 658 R CA 1.575 57.097 56.100 -0.964 0.000 0.967 658 R CB -0.015 29.840 30.300 -0.742 0.000 0.861 658 R HN 0.182 nan 8.270 nan 0.000 0.442 659 E N -0.667 119.242 120.200 -0.485 0.000 2.209 659 E HA -0.116 4.234 4.350 -0.001 0.000 0.196 659 E C 1.577 178.025 176.600 -0.252 0.000 0.993 659 E CA 1.461 57.674 56.400 -0.311 0.000 0.819 659 E CB -0.337 29.231 29.700 -0.221 0.000 0.745 659 E HN 0.554 nan 8.360 nan 0.000 0.477 660 G N -1.140 107.506 108.800 -0.257 0.000 2.650 660 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.214 660 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.214 660 G C 1.014 175.909 174.900 -0.007 0.000 1.136 660 G CA 1.055 46.092 45.100 -0.106 0.000 0.789 660 G HN 0.472 nan 8.290 nan 0.000 0.536 661 Y N -1.973 118.324 120.300 -0.005 0.000 2.441 661 Y HA 0.701 5.251 4.550 -0.001 0.000 0.266 661 Y C 1.180 177.097 175.900 0.029 0.000 1.093 661 Y CA -1.051 57.062 58.100 0.022 0.000 1.246 661 Y CB -0.446 38.053 38.460 0.064 0.000 1.262 661 Y HN 0.143 nan 8.280 nan 0.000 0.518 662 A N 1.639 124.472 122.820 0.021 0.000 2.483 662 A HA 0.513 4.832 4.320 -0.001 0.000 0.238 662 A C -0.397 177.228 177.584 0.069 0.000 1.070 662 A CA -0.029 52.066 52.037 0.097 0.000 0.770 662 A CB 0.179 19.170 19.000 -0.016 0.000 1.008 662 A HN 0.235 nan 8.150 nan 0.000 0.497 663 V N 3.469 123.439 119.914 0.094 0.000 2.325 663 V HA 0.286 4.405 4.120 -0.001 0.000 0.280 663 V C 0.058 176.222 176.094 0.116 0.000 1.016 663 V CA -0.245 62.105 62.300 0.084 0.000 0.818 663 V CB 0.251 32.123 31.823 0.081 0.000 1.019 663 V HN 1.055 nan 8.190 nan 0.000 0.434 664 Q N 3.319 123.160 119.800 0.069 0.000 2.487 664 Q HA -0.277 4.062 4.340 -0.001 0.000 0.279 664 Q C 1.299 177.269 176.000 -0.049 0.000 1.228 664 Q CA 0.835 56.676 55.803 0.062 0.000 0.873 664 Q CB -1.480 27.346 28.738 0.147 0.000 1.260 664 Q HN 1.566 nan 8.270 nan 0.000 0.471 665 G N -1.070 107.688 108.800 -0.070 0.000 2.234 665 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.260 665 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.260 665 G C 0.110 174.954 174.900 -0.093 0.000 0.987 665 G CA 0.581 45.606 45.100 -0.125 0.000 0.625 665 G HN 0.582 nan 8.290 nan 0.000 0.532 666 H N 0.514 119.630 119.070 0.078 0.000 2.517 666 H HA 0.550 5.106 4.556 -0.001 0.000 0.346 666 H C 0.414 175.636 175.328 -0.176 0.000 1.222 666 H CA -0.224 55.770 56.048 -0.091 0.000 1.314 666 H CB 1.182 30.867 29.762 -0.129 0.000 1.609 666 H HN 0.289 nan 8.280 nan 0.000 0.571 667 E N 2.629 122.551 120.200 -0.464 0.000 2.384 667 E HA 0.087 4.437 4.350 -0.001 0.000 0.266 667 E C -2.327 174.256 176.600 -0.029 0.000 1.012 667 E CA -1.450 54.836 56.400 -0.190 0.000 0.901 667 E CB 0.309 29.818 29.700 -0.318 0.000 0.967 667 E HN 0.257 nan 8.360 nan 0.000 0.435 668 P HA 0.069 nan 4.420 nan 0.000 0.275 668 P C -0.795 176.480 177.300 -0.041 0.000 1.228 668 P CA -0.494 62.619 63.100 0.022 0.000 0.786 668 P CB 0.934 32.666 31.700 0.053 0.000 0.927 669 C N 5.257 124.532 119.300 -0.042 0.000 2.316 669 C HA 0.489 4.949 4.460 -0.001 0.000 0.324 669 C C -0.151 174.812 174.990 -0.045 0.000 1.226 669 C CA -0.763 58.222 59.018 -0.054 0.000 1.450 669 C CB -1.186 26.529 27.740 -0.040 0.000 2.123 669 C HN 0.421 nan 8.230 nan 0.000 0.454 670 L N 6.667 127.852 121.223 -0.063 0.000 2.326 670 L HA 0.562 4.902 4.340 -0.001 0.000 0.278 670 L C 0.098 176.967 176.870 -0.001 0.000 1.092 670 L CA 0.135 54.953 54.840 -0.036 0.000 0.810 670 L CB 1.169 43.199 42.059 -0.047 0.000 1.153 670 L HN 0.719 nan 8.230 nan 0.000 0.439 671 M N 2.876 122.486 119.600 0.017 0.000 2.433 671 M HA 0.341 4.821 4.480 -0.001 0.000 0.290 671 M C -0.823 175.519 176.300 0.070 0.000 1.173 671 M CA -0.609 54.722 55.300 0.051 0.000 0.905 671 M CB 2.317 34.941 32.600 0.040 0.000 1.692 671 M HN 0.558 nan 8.290 nan 0.000 0.462 672 H N 4.960 124.040 119.070 0.018 0.000 2.732 672 H HA 0.216 4.771 4.556 -0.001 0.000 0.351 672 H C -2.031 173.307 175.328 0.017 0.000 1.090 672 H CA -0.474 55.586 56.048 0.020 0.000 1.431 672 H CB 1.387 31.163 29.762 0.023 0.000 1.447 672 H HN 0.490 nan 8.280 nan 0.000 0.582 673 P HA -0.172 nan 4.420 nan 0.000 0.216 673 P C 0.829 178.191 177.300 0.103 0.000 1.154 673 P CA 1.355 64.408 63.100 -0.078 0.000 0.865 673 P CB 0.394 31.986 31.700 -0.180 0.000 0.789 674 D N -0.887 119.717 120.400 0.340 0.000 2.149 674 D HA -0.112 4.527 4.640 -0.001 0.000 0.201 674 D C 1.552 177.939 176.300 0.144 0.000 0.972 674 D CA 0.977 55.110 54.000 0.223 0.000 0.835 674 D CB -0.684 40.240 40.800 0.207 0.000 0.966 674 D HN 0.164 nan 8.370 nan 0.000 0.476 675 D N 0.313 120.814 120.400 0.168 0.000 2.183 675 D HA -0.026 4.613 4.640 -0.001 0.000 0.203 675 D C 1.972 178.318 176.300 0.077 0.000 0.969 675 D CA 0.865 54.922 54.000 0.094 0.000 0.842 675 D CB -0.098 40.755 40.800 0.089 0.000 0.957 675 D HN 0.125 nan 8.370 nan 0.000 0.484 676 A N 1.158 124.025 122.820 0.078 0.000 1.897 676 A HA 0.041 4.360 4.320 -0.001 0.000 0.215 676 A C 2.321 179.932 177.584 0.045 0.000 1.181 676 A CA 1.817 53.886 52.037 0.052 0.000 0.620 676 A CB -0.630 18.394 19.000 0.039 0.000 0.821 676 A HN 0.209 nan 8.150 nan 0.000 0.443 677 A N -0.003 122.845 122.820 0.047 0.000 1.940 677 A HA 0.124 4.444 4.320 -0.001 0.000 0.219 677 A C 2.432 180.039 177.584 0.037 0.000 1.176 677 A CA 2.062 54.122 52.037 0.039 0.000 0.631 677 A CB -0.918 18.106 19.000 0.040 0.000 0.814 677 A HN 1.075 nan 8.150 nan 0.000 0.446 678 A N -0.630 122.215 122.820 0.042 0.000 2.015 678 A HA -0.076 4.244 4.320 -0.001 0.000 0.219 678 A C 2.120 179.725 177.584 0.036 0.000 1.163 678 A CA 1.356 53.415 52.037 0.036 0.000 0.646 678 A CB -0.286 18.736 19.000 0.036 0.000 0.806 678 A HN 0.542 nan 8.150 nan 0.000 0.448 679 R N -1.662 118.862 120.500 0.040 0.000 2.362 679 R HA 0.262 4.601 4.340 -0.001 0.000 0.227 679 R C 1.055 177.378 176.300 0.038 0.000 0.905 679 R CA 0.484 56.610 56.100 0.042 0.000 1.067 679 R CB 0.181 30.511 30.300 0.049 0.000 1.078 679 R HN 0.592 nan 8.270 nan 0.000 0.516 680 G N 1.767 110.587 108.800 0.033 0.000 2.176 680 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.252 680 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.252 680 G C 0.032 174.949 174.900 0.029 0.000 1.024 680 G CA -0.043 45.074 45.100 0.028 0.000 0.755 680 G HN 0.232 nan 8.290 nan 0.000 0.507 681 I N 0.714 121.303 120.570 0.032 0.000 2.392 681 I HA 0.651 4.821 4.170 -0.001 0.000 0.295 681 I C 0.688 176.820 176.117 0.026 0.000 0.985 681 I CA -0.390 60.929 61.300 0.031 0.000 1.221 681 I CB 1.784 39.805 38.000 0.035 0.000 1.366 681 I HN 0.294 nan 8.210 nan 0.000 0.467 682 A N 3.940 126.775 122.820 0.024 0.000 2.330 682 A HA 0.414 4.733 4.320 -0.001 0.000 0.329 682 A C -0.762 176.832 177.584 0.018 0.000 1.135 682 A CA -0.629 51.419 52.037 0.018 0.000 0.817 682 A CB 0.957 19.968 19.000 0.018 0.000 1.269 682 A HN 0.736 nan 8.150 nan 0.000 0.469 683 D N -0.023 120.384 120.400 0.012 0.000 2.533 683 D HA 0.363 5.002 4.640 -0.001 0.000 0.236 683 D C 1.376 177.687 176.300 0.018 0.000 1.137 683 D CA 2.328 56.335 54.000 0.011 0.000 0.867 683 D CB 0.257 41.060 40.800 0.004 0.000 1.170 683 D HN 1.319 nan 8.370 nan 0.000 0.474 684 G N 2.909 111.723 108.800 0.022 0.000 2.195 684 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.246 684 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.246 684 G C 0.085 175.009 174.900 0.041 0.000 0.984 684 G CA 0.075 45.193 45.100 0.031 0.000 0.633 684 G HN 0.622 nan 8.290 nan 0.000 0.525 685 D N 0.358 120.781 120.400 0.037 0.000 2.372 685 D HA 0.437 5.077 4.640 -0.001 0.000 0.243 685 D C 0.756 177.081 176.300 0.041 0.000 1.121 685 D CA -0.040 53.987 54.000 0.044 0.000 0.898 685 D CB 1.647 42.472 40.800 0.041 0.000 1.202 685 D HN 0.141 nan 8.370 nan 0.000 0.428 686 V N 2.492 122.437 119.914 0.051 0.000 2.461 686 V HA 0.254 4.374 4.120 -0.001 0.000 0.275 686 V C 0.485 176.583 176.094 0.008 0.000 1.047 686 V CA -0.423 61.871 62.300 -0.009 0.000 0.955 686 V CB 1.064 32.889 31.823 0.003 0.000 0.988 686 V HN 0.354 nan 8.190 nan 0.000 0.471 687 V N 3.069 122.953 119.914 -0.051 0.000 2.960 687 V HA 0.697 4.817 4.120 -0.001 0.000 0.315 687 V C -0.311 175.765 176.094 -0.029 0.000 1.087 687 V CA -1.270 61.036 62.300 0.010 0.000 0.982 687 V CB 1.905 33.739 31.823 0.017 0.000 1.039 687 V HN 0.808 nan 8.190 nan 0.000 0.437 688 R N 1.774 122.314 120.500 0.068 0.000 2.229 688 R HA 0.715 5.055 4.340 -0.001 0.000 0.328 688 R C -1.428 174.959 176.300 0.145 0.000 1.009 688 R CA -0.415 55.730 56.100 0.075 0.000 0.864 688 R CB 1.536 31.927 30.300 0.153 0.000 1.085 688 R HN 0.776 nan 8.270 nan 0.000 0.453 689 V N 5.655 125.616 119.914 0.078 0.000 2.370 689 V HA 0.394 4.513 4.120 -0.001 0.000 0.283 689 V C -0.600 175.533 176.094 0.065 0.000 1.023 689 V CA -0.633 61.689 62.300 0.037 0.000 0.857 689 V CB 1.049 32.852 31.823 -0.033 0.000 0.985 689 V HN 1.006 nan 8.190 nan 0.000 0.443 690 H N 2.588 121.608 119.070 -0.085 0.000 3.017 690 H HA 0.877 5.432 4.556 -0.001 0.000 0.346 690 H C -0.685 174.465 175.328 -0.297 0.000 1.286 690 H CA -0.925 55.051 56.048 -0.121 0.000 1.120 690 H CB 1.795 31.535 29.762 -0.037 0.000 1.860 690 H HN 0.580 nan 8.280 nan 0.000 0.542 691 N N -0.698 117.824 118.700 -0.296 0.000 3.587 691 N HA 0.139 4.879 4.740 -0.001 0.000 0.339 691 N C -0.567 174.866 175.510 -0.128 0.000 1.636 691 N CA -0.664 51.969 53.050 -0.694 0.000 0.788 691 N CB -0.008 37.956 38.487 -0.871 0.000 2.205 691 N HN 0.572 nan 8.380 nan 0.000 0.600 692 D N -0.701 119.695 120.400 -0.007 0.000 2.363 692 D HA 0.089 4.729 4.640 -0.001 0.000 0.220 692 D C 0.939 177.260 176.300 0.036 0.000 0.994 692 D CA 0.558 54.623 54.000 0.107 0.000 0.890 692 D CB 0.256 41.152 40.800 0.160 0.000 0.906 692 D HN 0.417 nan 8.370 nan 0.000 0.530 693 R N -0.246 120.243 120.500 -0.018 0.000 2.206 693 R HA 0.353 4.693 4.340 -0.001 0.000 0.198 693 R C 1.194 177.484 176.300 -0.017 0.000 0.986 693 R CA 0.400 56.485 56.100 -0.024 0.000 1.029 693 R CB 0.960 31.228 30.300 -0.053 0.000 0.966 693 R HN 0.042 nan 8.270 nan 0.000 0.487 694 G N 0.254 109.046 108.800 -0.013 0.000 2.430 694 G HA2 0.289 4.248 3.960 -0.001 0.000 0.300 694 G HA3 0.289 4.248 3.960 -0.001 0.000 0.300 694 G C -2.017 172.903 174.900 0.035 0.000 1.330 694 G CA -0.862 44.245 45.100 0.011 0.000 0.813 694 G HN 0.101 nan 8.290 nan 0.000 0.487 695 Q N -1.022 118.809 119.800 0.051 0.000 2.284 695 Q HA 0.710 5.050 4.340 -0.001 0.000 0.269 695 Q C -0.818 175.211 176.000 0.049 0.000 1.026 695 Q CA -1.017 54.825 55.803 0.065 0.000 0.831 695 Q CB 2.519 31.294 28.738 0.062 0.000 1.322 695 Q HN 1.157 nan 8.270 nan 0.000 0.419 696 I N -1.239 119.346 120.570 0.025 0.000 3.074 696 I HA 0.679 4.849 4.170 -0.001 0.000 0.310 696 I C -1.484 174.585 176.117 -0.079 0.000 1.153 696 I CA -1.634 59.667 61.300 0.002 0.000 0.993 696 I CB 1.975 39.989 38.000 0.022 0.000 1.237 696 I HN 0.602 nan 8.210 nan 0.000 0.443 697 L N 2.438 123.573 121.223 -0.146 0.000 2.325 697 L HA 0.738 5.077 4.340 -0.001 0.000 0.278 697 L C -0.132 176.557 176.870 -0.301 0.000 1.023 697 L CA -0.375 54.275 54.840 -0.316 0.000 0.811 697 L CB 2.054 43.787 42.059 -0.543 0.000 1.249 697 L HN 0.914 nan 8.230 nan 0.000 0.431 698 T N -1.245 113.124 114.554 -0.308 0.000 2.841 698 T HA 0.688 5.037 4.350 -0.001 0.000 0.296 698 T C -0.371 174.223 174.700 -0.176 0.000 1.166 698 T CA -0.769 61.209 62.100 -0.203 0.000 1.007 698 T CB 1.896 70.698 68.868 -0.110 0.000 1.253 698 T HN 0.654 nan 8.240 nan 0.000 0.511 699 G N 0.301 109.076 108.800 -0.042 0.000 2.416 699 G HA2 0.577 4.536 3.960 -0.001 0.000 0.324 699 G HA3 0.577 4.536 3.960 -0.001 0.000 0.324 699 G C -0.709 174.197 174.900 0.009 0.000 1.194 699 G CA -0.690 44.420 45.100 0.016 0.000 0.922 699 G HN 0.807 nan 8.290 nan 0.000 0.467 700 V N 2.275 122.194 119.914 0.009 0.000 2.583 700 V HA 0.323 4.442 4.120 -0.001 0.000 0.287 700 V C 0.210 176.311 176.094 0.011 0.000 1.051 700 V CA -0.247 62.056 62.300 0.006 0.000 1.010 700 V CB 1.310 33.139 31.823 0.010 0.000 0.988 700 V HN 0.629 nan 8.190 nan 0.000 0.478 701 K N 3.633 124.034 120.400 0.003 0.000 2.450 701 K HA 0.525 4.844 4.320 -0.001 0.000 0.257 701 K C -1.211 175.385 176.600 -0.006 0.000 0.953 701 K CA -0.629 55.658 56.287 0.000 0.000 0.844 701 K CB 2.123 34.621 32.500 -0.003 0.000 1.103 701 K HN 0.423 nan 8.250 nan 0.000 0.429 702 V N 3.273 123.182 119.914 -0.008 0.000 2.488 702 V HA 0.278 4.397 4.120 -0.001 0.000 0.277 702 V C -0.088 175.983 176.094 -0.038 0.000 1.046 702 V CA 0.134 62.422 62.300 -0.019 0.000 0.986 702 V CB 1.080 32.891 31.823 -0.019 0.000 0.989 702 V HN 0.869 nan 8.190 nan 0.000 0.475 703 T N 1.807 116.328 114.554 -0.055 0.000 2.942 703 T HA 0.264 4.613 4.350 -0.001 0.000 0.327 703 T C -0.103 174.528 174.700 -0.115 0.000 1.360 703 T CA -0.650 61.411 62.100 -0.065 0.000 1.055 703 T CB 1.728 70.581 68.868 -0.025 0.000 1.261 703 T HN 0.725 nan 8.240 nan 0.000 0.485 704 D N 0.435 120.757 120.400 -0.130 0.000 2.325 704 D HA 0.211 4.850 4.640 -0.001 0.000 0.225 704 D C 1.640 177.964 176.300 0.041 0.000 1.096 704 D CA -0.070 53.847 54.000 -0.137 0.000 0.844 704 D CB -0.249 40.454 40.800 -0.162 0.000 0.925 704 D HN 0.577 nan 8.370 nan 0.000 0.513 705 A N 0.469 123.313 122.820 0.040 0.000 2.015 705 A HA 0.090 4.409 4.320 -0.001 0.000 0.219 705 A C 1.288 178.945 177.584 0.123 0.000 1.163 705 A CA 0.983 53.068 52.037 0.080 0.000 0.646 705 A CB -0.553 18.476 19.000 0.049 0.000 0.806 705 A HN 0.320 nan 8.150 nan 0.000 0.448 706 V N -1.302 118.687 119.914 0.125 0.000 2.539 706 V HA 0.565 4.685 4.120 -0.001 0.000 0.292 706 V C 0.156 176.375 176.094 0.209 0.000 1.045 706 V CA -0.962 61.426 62.300 0.148 0.000 0.945 706 V CB 0.752 32.645 31.823 0.116 0.000 0.993 706 V HN 0.542 nan 8.190 nan 0.000 0.464 707 M N 1.683 121.370 119.600 0.145 0.000 2.245 707 M HA 0.399 4.878 4.480 -0.001 0.000 0.330 707 M C 0.188 176.481 176.300 -0.012 0.000 1.098 707 M CA -0.205 55.142 55.300 0.079 0.000 1.172 707 M CB 0.285 32.894 32.600 0.015 0.000 1.467 707 M HN 0.777 nan 8.290 nan 0.000 0.454 708 K N 1.169 121.412 120.400 -0.261 0.000 2.448 708 K HA 0.181 4.501 4.320 -0.001 0.000 0.278 708 K C 0.857 177.377 176.600 -0.133 0.000 1.009 708 K CA 1.317 57.369 56.287 -0.393 0.000 0.995 708 K CB 0.045 32.196 32.500 -0.582 0.000 0.917 708 K HN 1.032 nan 8.250 nan 0.000 0.481 709 G N 1.783 110.548 108.800 -0.059 0.000 2.194 709 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.236 709 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.236 709 G C -0.402 174.532 174.900 0.056 0.000 0.987 709 G CA 0.066 45.166 45.100 0.001 0.000 0.635 709 G HN 0.519 nan 8.290 nan 0.000 0.520 710 V N 2.297 122.251 119.914 0.066 0.000 2.604 710 V HA 0.758 4.877 4.120 -0.001 0.000 0.305 710 V C 0.417 176.569 176.094 0.097 0.000 1.043 710 V CA -0.494 61.875 62.300 0.114 0.000 0.888 710 V CB 1.816 33.709 31.823 0.116 0.000 0.995 710 V HN 0.709 nan 8.190 nan 0.000 0.429 711 I N 1.383 122.004 120.570 0.086 0.000 2.646 711 I HA 0.701 4.870 4.170 -0.001 0.000 0.299 711 I C -0.681 175.457 176.117 0.034 0.000 1.036 711 I CA -0.695 60.633 61.300 0.047 0.000 1.074 711 I CB 2.015 40.026 38.000 0.018 0.000 1.258 711 I HN 0.670 nan 8.210 nan 0.000 0.430 712 Q N 5.657 125.450 119.800 -0.011 0.000 2.348 712 Q HA 0.623 4.962 4.340 -0.001 0.000 0.265 712 Q C -1.750 174.166 176.000 -0.140 0.000 0.998 712 Q CA -0.652 55.112 55.803 -0.064 0.000 0.831 712 Q CB 1.848 30.518 28.738 -0.113 0.000 1.251 712 Q HN 0.810 nan 8.270 nan 0.000 0.456 713 I N 4.637 125.150 120.570 -0.094 0.000 2.476 713 I HA 0.241 4.411 4.170 -0.001 0.000 0.281 713 I C -1.039 175.095 176.117 0.027 0.000 1.040 713 I CA -0.847 60.408 61.300 -0.074 0.000 1.094 713 I CB 0.908 38.893 38.000 -0.025 0.000 1.219 713 I HN 0.576 nan 8.210 nan 0.000 0.450 714 Y N 3.800 124.137 120.300 0.062 0.000 2.480 714 Y HA 0.116 4.665 4.550 -0.001 0.000 0.338 714 Y C 0.974 176.930 175.900 0.092 0.000 1.220 714 Y CA -0.804 57.346 58.100 0.083 0.000 1.430 714 Y CB 0.370 38.867 38.460 0.061 0.000 1.311 714 Y HN 0.560 nan 8.280 nan 0.000 0.575 715 E N -0.057 120.311 120.200 0.279 0.000 2.408 715 E HA 0.442 4.791 4.350 -0.001 0.000 0.259 715 E C 1.009 177.725 176.600 0.194 0.000 1.110 715 E CA 0.195 56.707 56.400 0.186 0.000 0.929 715 E CB 0.339 30.115 29.700 0.127 0.000 0.971 715 E HN 0.772 nan 8.360 nan 0.000 0.438 716 G N 0.591 109.519 108.800 0.214 0.000 2.201 716 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.212 716 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.212 716 G C 0.503 175.650 174.900 0.412 0.000 0.994 716 G CA -0.314 44.957 45.100 0.285 0.000 0.644 716 G HN 0.951 nan 8.290 nan 0.000 0.508 717 G N -0.413 108.646 108.800 0.432 0.000 2.441 717 G HA2 0.349 4.308 3.960 -0.001 0.000 0.243 717 G HA3 0.349 4.308 3.960 -0.001 0.000 0.243 717 G C 0.075 175.396 174.900 0.702 0.000 1.281 717 G CA -0.234 45.252 45.100 0.642 0.000 0.854 717 G HN 0.269 nan 8.290 nan 0.000 0.560 718 W N 2.055 123.544 121.300 0.316 0.000 2.585 718 W HA 0.235 4.894 4.660 -0.001 0.000 0.337 718 W C 0.267 176.898 176.519 0.186 0.000 1.226 718 W CA -1.480 55.947 57.345 0.136 0.000 1.463 718 W CB -0.703 28.693 29.460 -0.106 0.000 1.458 718 W HN 0.459 nan 8.180 nan 0.000 0.458 719 Y N 3.901 124.357 120.300 0.259 0.000 2.944 719 Y HA -0.102 4.447 4.550 -0.001 0.000 0.340 719 Y C 0.326 176.296 175.900 0.118 0.000 1.275 719 Y CA 0.874 59.077 58.100 0.172 0.000 1.590 719 Y CB 0.234 38.751 38.460 0.095 0.000 1.218 719 Y HN 0.347 nan 8.280 nan 0.000 0.576 720 D N 8.939 129.226 120.400 -0.188 0.000 2.468 720 D HA 0.283 4.923 4.640 -0.001 0.000 0.272 720 D C -2.992 173.102 176.300 -0.343 0.000 1.221 720 D CA -2.087 51.757 54.000 -0.259 0.000 0.860 720 D CB 0.655 41.411 40.800 -0.074 0.000 1.190 720 D HN 0.258 nan 8.370 nan 0.000 0.509 721 P HA 0.043 nan 4.420 nan 0.000 0.266 721 P C 0.662 177.860 177.300 -0.169 0.000 1.195 721 P CA -0.102 62.772 63.100 -0.376 0.000 0.768 721 P CB 1.474 32.944 31.700 -0.384 0.000 0.838 722 S N 0.643 116.293 115.700 -0.083 0.000 2.355 722 S HA -0.088 4.381 4.470 -0.001 0.000 0.222 722 S C 0.694 175.267 174.600 -0.045 0.000 1.031 722 S CA 1.375 59.548 58.200 -0.045 0.000 0.993 722 S CB -0.295 62.901 63.200 -0.008 0.000 0.859 722 S HN 0.648 nan 8.310 nan 0.000 0.453 723 D N 0.328 120.708 120.400 -0.033 0.000 2.616 723 D HA 0.215 4.854 4.640 -0.001 0.000 0.238 723 D C 0.698 176.991 176.300 -0.011 0.000 1.354 723 D CA -0.402 53.582 54.000 -0.027 0.000 0.970 723 D CB 1.572 42.366 40.800 -0.010 0.000 1.369 723 D HN 0.016 nan 8.370 nan 0.000 0.585 724 V N 2.118 122.017 119.914 -0.024 0.000 2.867 724 V HA -0.085 4.034 4.120 -0.001 0.000 0.260 724 V C 1.586 177.701 176.094 0.035 0.000 1.099 724 V CA 2.221 64.530 62.300 0.016 0.000 1.122 724 V CB -1.287 30.526 31.823 -0.017 0.000 0.708 724 V HN 0.672 nan 8.190 nan 0.000 0.490 725 T N -1.931 112.632 114.554 0.015 0.000 3.107 725 T HA 0.117 4.466 4.350 -0.001 0.000 0.249 725 T C 0.685 175.402 174.700 0.029 0.000 1.096 725 T CA 0.455 62.568 62.100 0.022 0.000 1.012 725 T CB -0.275 68.597 68.868 0.006 0.000 0.977 725 T HN 0.762 nan 8.240 nan 0.000 0.527 726 E N 2.609 122.828 120.200 0.032 0.000 2.081 726 E HA 0.336 4.685 4.350 -0.001 0.000 0.276 726 E C -2.794 173.835 176.600 0.048 0.000 0.950 726 E CA -2.874 53.546 56.400 0.034 0.000 0.776 726 E CB 1.112 30.828 29.700 0.027 0.000 1.094 726 E HN 0.141 nan 8.360 nan 0.000 0.402 727 P HA 0.094 nan 4.420 nan 0.000 0.263 727 P C 0.380 177.710 177.300 0.051 0.000 1.195 727 P CA 0.695 63.825 63.100 0.050 0.000 0.762 727 P CB 0.734 32.458 31.700 0.040 0.000 0.799 728 G N 1.604 110.441 108.800 0.061 0.000 2.143 728 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.248 728 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.248 728 G C 0.527 175.468 174.900 0.068 0.000 0.991 728 G CA 0.203 45.339 45.100 0.060 0.000 0.689 728 G HN 0.759 nan 8.290 nan 0.000 0.522 729 T N 0.006 114.606 114.554 0.077 0.000 2.939 729 T HA 0.278 4.627 4.350 -0.001 0.000 0.319 729 T C 0.824 175.570 174.700 0.078 0.000 1.082 729 T CA 0.319 62.459 62.100 0.067 0.000 1.133 729 T CB 0.271 69.172 68.868 0.055 0.000 1.019 729 T HN 1.015 nan 8.240 nan 0.000 0.548 730 L N 4.583 125.838 121.223 0.053 0.000 2.455 730 L HA 0.291 4.630 4.340 -0.001 0.000 0.272 730 L C 0.129 177.023 176.870 0.040 0.000 1.174 730 L CA -0.113 54.753 54.840 0.044 0.000 0.869 730 L CB 0.660 42.730 42.059 0.018 0.000 1.130 730 L HN 0.628 nan 8.230 nan 0.000 0.474 731 D N 3.521 123.969 120.400 0.080 0.000 2.317 731 D HA 0.118 4.758 4.640 -0.001 0.000 0.252 731 D C 0.511 176.841 176.300 0.050 0.000 1.174 731 D CA 0.064 54.118 54.000 0.090 0.000 0.866 731 D CB 1.060 42.019 40.800 0.265 0.000 1.127 731 D HN 0.589 nan 8.370 nan 0.000 0.467 732 K N 2.859 123.289 120.400 0.050 0.000 2.305 732 K HA -0.093 4.226 4.320 -0.001 0.000 0.199 732 K C 0.863 177.620 176.600 0.262 0.000 1.047 732 K CA 0.491 56.837 56.287 0.098 0.000 0.976 732 K CB 0.178 32.733 32.500 0.093 0.000 0.765 732 K HN 0.505 nan 8.250 nan 0.000 0.474 733 Y N 0.203 120.606 120.300 0.172 0.000 2.353 733 Y HA 0.187 4.737 4.550 -0.001 0.000 0.294 733 Y C 0.782 176.843 175.900 0.268 0.000 1.135 733 Y CA 1.008 59.270 58.100 0.271 0.000 1.176 733 Y CB 1.142 39.741 38.460 0.231 0.000 1.124 733 Y HN 0.023 nan 8.280 nan 0.000 0.537 734 G N 1.600 110.438 108.800 0.063 0.000 2.511 734 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.205 734 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.205 734 G C -1.554 173.438 174.900 0.155 0.000 1.098 734 G CA -0.238 44.848 45.100 -0.023 0.000 0.812 734 G HN 0.311 nan 8.290 nan 0.000 0.497 735 D N 0.742 121.294 120.400 0.254 0.000 2.365 735 D HA 0.337 4.976 4.640 -0.001 0.000 0.237 735 D C 1.384 177.751 176.300 0.111 0.000 1.190 735 D CA -0.101 54.040 54.000 0.236 0.000 0.867 735 D CB 1.521 42.480 40.800 0.264 0.000 1.050 735 D HN 0.143 nan 8.370 nan 0.000 0.491 736 V N 4.713 124.681 119.914 0.090 0.000 2.867 736 V HA -0.152 3.967 4.120 -0.001 0.000 0.260 736 V C 1.380 177.470 176.094 -0.006 0.000 1.099 736 V CA 1.269 63.591 62.300 0.037 0.000 1.122 736 V CB -0.466 31.389 31.823 0.053 0.000 0.708 736 V HN 0.542 nan 8.190 nan 0.000 0.490 737 N N -0.288 118.399 118.700 -0.021 0.000 2.521 737 N HA 0.003 4.743 4.740 -0.001 0.000 0.188 737 N C 1.385 176.813 175.510 -0.136 0.000 1.146 737 N CA 0.690 53.688 53.050 -0.087 0.000 0.893 737 N CB 0.607 39.026 38.487 -0.113 0.000 0.975 737 N HN 0.413 nan 8.380 nan 0.000 0.451 738 V N 0.444 120.293 119.914 -0.109 0.000 2.871 738 V HA -0.044 4.075 4.120 -0.001 0.000 0.256 738 V C 1.921 177.965 176.094 -0.084 0.000 1.082 738 V CA 1.013 63.248 62.300 -0.110 0.000 1.105 738 V CB -0.108 31.697 31.823 -0.030 0.000 0.713 738 V HN 0.276 nan 8.190 nan 0.000 0.473 739 L N -0.271 120.903 121.223 -0.081 0.000 2.590 739 L HA 0.194 4.533 4.340 -0.001 0.000 0.227 739 L C 1.306 178.112 176.870 -0.107 0.000 1.099 739 L CA 0.080 54.862 54.840 -0.097 0.000 0.872 739 L CB -0.013 41.984 42.059 -0.104 0.000 1.088 739 L HN 0.393 nan 8.230 nan 0.000 0.479 740 S N 0.451 116.089 115.700 -0.102 0.000 2.617 740 S HA 0.635 5.104 4.470 -0.001 0.000 0.269 740 S C 0.050 174.583 174.600 -0.111 0.000 1.292 740 S CA -0.622 57.517 58.200 -0.101 0.000 1.010 740 S CB 1.869 65.015 63.200 -0.090 0.000 0.944 740 S HN 0.115 nan 8.310 nan 0.000 0.536 741 A N 0.638 123.396 122.820 -0.103 0.000 2.303 741 A HA 0.549 4.868 4.320 -0.001 0.000 0.317 741 A C -0.370 177.136 177.584 -0.128 0.000 1.149 741 A CA -0.640 51.334 52.037 -0.106 0.000 0.822 741 A CB 0.556 19.498 19.000 -0.097 0.000 1.131 741 A HN 0.847 nan 8.150 nan 0.000 0.493 742 D N 1.812 122.136 120.400 -0.127 0.000 2.485 742 D HA 0.498 5.137 4.640 -0.001 0.000 0.229 742 D C -0.423 175.820 176.300 -0.097 0.000 1.101 742 D CA -0.049 53.871 54.000 -0.134 0.000 0.906 742 D CB -0.240 40.489 40.800 -0.119 0.000 1.019 742 D HN 0.514 nan 8.370 nan 0.000 0.516 743 I N -0.885 119.619 120.570 -0.110 0.000 3.074 743 I HA 0.813 4.982 4.170 -0.001 0.000 0.310 743 I C 0.358 176.417 176.117 -0.097 0.000 1.153 743 I CA -1.507 59.723 61.300 -0.116 0.000 0.993 743 I CB 1.975 39.856 38.000 -0.199 0.000 1.237 743 I HN 0.184 nan 8.210 nan 0.000 0.443 744 G N 0.606 109.362 108.800 -0.073 0.000 2.476 744 G HA2 0.406 4.365 3.960 -0.001 0.000 0.286 744 G HA3 0.406 4.365 3.960 -0.001 0.000 0.286 744 G C 0.877 175.775 174.900 -0.003 0.000 1.177 744 G CA 0.153 45.232 45.100 -0.035 0.000 0.870 744 G HN 0.915 nan 8.290 nan 0.000 0.528 745 T N -2.070 112.503 114.554 0.032 0.000 2.759 745 T HA 0.062 4.412 4.350 -0.001 0.000 0.269 745 T C 1.191 175.953 174.700 0.103 0.000 1.042 745 T CA 1.479 63.629 62.100 0.084 0.000 1.140 745 T CB -0.404 68.506 68.868 0.070 0.000 0.864 745 T HN 1.611 nan 8.240 nan 0.000 0.455 746 S N -0.998 114.741 115.700 0.065 0.000 2.663 746 S HA 0.378 4.847 4.470 -0.001 0.000 0.264 746 S C -0.111 174.459 174.600 -0.051 0.000 1.112 746 S CA -0.998 57.225 58.200 0.038 0.000 0.823 746 S CB 1.151 64.391 63.200 0.066 0.000 1.111 746 S HN 0.094 nan 8.310 nan 0.000 0.476 747 K N -0.268 120.004 120.400 -0.214 0.000 2.365 747 K HA 0.098 4.418 4.320 -0.001 0.000 0.199 747 K C 1.698 178.037 176.600 -0.435 0.000 1.045 747 K CA 0.966 56.977 56.287 -0.460 0.000 0.962 747 K CB -0.424 31.447 32.500 -1.048 0.000 0.759 747 K HN 0.434 nan 8.250 nan 0.000 0.469 748 L N 0.550 121.645 121.223 -0.214 0.000 1.988 748 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 748 L C 2.054 178.925 176.870 0.001 0.000 1.071 748 L CA 1.973 56.806 54.840 -0.012 0.000 0.744 748 L CB -0.313 41.779 42.059 0.055 0.000 0.893 748 L HN 0.081 nan 8.230 nan 0.000 0.433 749 A N -3.051 119.815 122.820 0.077 0.000 2.085 749 A HA 0.092 4.411 4.320 -0.001 0.000 0.208 749 A C 0.823 178.587 177.584 0.300 0.000 1.191 749 A CA 0.229 52.384 52.037 0.196 0.000 0.799 749 A CB 0.118 19.177 19.000 0.099 0.000 0.877 749 A HN 0.530 nan 8.150 nan 0.000 0.473 750 Q N -0.832 119.067 119.800 0.165 0.000 2.475 750 Q HA -0.171 4.168 4.340 -0.001 0.000 0.280 750 Q C 0.511 176.507 176.000 -0.006 0.000 1.234 750 Q CA 0.855 56.705 55.803 0.079 0.000 0.873 750 Q CB -2.441 26.352 28.738 0.092 0.000 1.256 750 Q HN 0.771 nan 8.270 nan 0.000 0.475 751 G N 0.942 109.742 108.800 0.001 0.000 2.562 751 G HA2 0.369 4.328 3.960 -0.001 0.000 0.275 751 G HA3 0.369 4.328 3.960 -0.001 0.000 0.275 751 G C 0.326 175.183 174.900 -0.072 0.000 1.196 751 G CA -0.022 45.043 45.100 -0.059 0.000 0.908 751 G HN 0.472 nan 8.290 nan 0.000 0.524 752 N N -2.514 116.120 118.700 -0.110 0.000 2.445 752 N HA 0.277 5.016 4.740 -0.001 0.000 0.264 752 N C -0.244 175.271 175.510 0.009 0.000 1.227 752 N CA -0.553 52.462 53.050 -0.059 0.000 0.963 752 N CB 1.398 39.868 38.487 -0.028 0.000 1.188 752 N HN 0.212 nan 8.380 nan 0.000 0.491 753 C N 1.256 120.560 119.300 0.006 0.000 2.513 753 C HA 0.455 4.914 4.460 -0.001 0.000 0.281 753 C C 1.807 176.823 174.990 0.044 0.000 1.501 753 C CA -0.716 58.322 59.018 0.033 0.000 1.749 753 C CB -0.965 26.769 27.740 -0.010 0.000 2.955 753 C HN 0.997 nan 8.230 nan 0.000 0.532 754 G N 0.384 109.228 108.800 0.073 0.000 2.564 754 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.216 754 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.216 754 G C 1.274 176.231 174.900 0.094 0.000 1.124 754 G CA 0.713 45.857 45.100 0.073 0.000 0.764 754 G HN 0.707 nan 8.290 nan 0.000 0.550 755 Q N -0.352 119.527 119.800 0.131 0.000 2.172 755 Q HA 0.100 4.439 4.340 -0.001 0.000 0.217 755 Q C -0.160 175.948 176.000 0.180 0.000 0.832 755 Q CA -0.055 55.848 55.803 0.166 0.000 1.010 755 Q CB 0.898 29.782 28.738 0.243 0.000 1.133 755 Q HN 0.157 nan 8.270 nan 0.000 0.489 756 T N 1.504 116.126 114.554 0.112 0.000 3.281 756 T HA 0.337 4.686 4.350 -0.001 0.000 0.359 756 T C -0.678 174.027 174.700 0.009 0.000 1.459 756 T CA -0.056 62.117 62.100 0.122 0.000 1.114 756 T CB 0.256 69.184 68.868 0.099 0.000 1.162 756 T HN -0.120 nan 8.240 nan 0.000 0.665 757 V N 4.586 124.430 119.914 -0.116 0.000 2.612 757 V HA 0.517 4.637 4.120 -0.001 0.000 0.301 757 V C -0.486 175.465 176.094 -0.238 0.000 1.059 757 V CA -0.987 61.204 62.300 -0.182 0.000 0.886 757 V CB 1.881 33.581 31.823 -0.204 0.000 1.007 757 V HN 0.598 nan 8.190 nan 0.000 0.426 758 L N 3.656 124.813 121.223 -0.111 0.000 2.342 758 L HA 1.042 5.381 4.340 -0.001 0.000 0.271 758 L C 0.195 176.966 176.870 -0.165 0.000 1.008 758 L CA -0.524 54.279 54.840 -0.061 0.000 0.818 758 L CB 2.011 44.123 42.059 0.088 0.000 1.296 758 L HN 0.851 nan 8.230 nan 0.000 0.427 759 A N 1.619 124.340 122.820 -0.164 0.000 2.557 759 A HA 0.749 5.068 4.320 -0.001 0.000 0.292 759 A C -1.681 175.791 177.584 -0.187 0.000 1.139 759 A CA -0.441 51.370 52.037 -0.378 0.000 0.665 759 A CB 2.071 20.868 19.000 -0.339 0.000 1.285 759 A HN 0.606 nan 8.150 nan 0.000 0.433 760 E N -0.697 119.305 120.200 -0.330 0.000 2.263 760 E HA 0.700 5.049 4.350 -0.001 0.000 0.264 760 E C -1.623 174.831 176.600 -0.243 0.000 0.923 760 E CA -0.450 55.833 56.400 -0.195 0.000 0.802 760 E CB 1.970 31.582 29.700 -0.146 0.000 1.228 760 E HN 0.650 nan 8.360 nan 0.000 0.417 761 V N 3.163 123.046 119.914 -0.052 0.000 2.656 761 V HA 0.523 4.642 4.120 -0.001 0.000 0.307 761 V C -0.795 175.363 176.094 0.106 0.000 1.051 761 V CA -0.687 61.632 62.300 0.031 0.000 0.893 761 V CB 1.554 33.389 31.823 0.020 0.000 0.999 761 V HN 0.809 nan 8.190 nan 0.000 0.426 762 E N 2.433 122.725 120.200 0.153 0.000 2.383 762 E HA 0.615 4.964 4.350 -0.001 0.000 0.275 762 E C -1.088 175.580 176.600 0.114 0.000 0.918 762 E CA -1.266 55.215 56.400 0.136 0.000 0.764 762 E CB 2.349 32.149 29.700 0.167 0.000 1.252 762 E HN 0.416 nan 8.360 nan 0.000 0.449 763 K N 1.546 121.998 120.400 0.087 0.000 2.451 763 K HA 0.011 4.330 4.320 -0.001 0.000 0.280 763 K C -1.256 175.412 176.600 0.114 0.000 1.020 763 K CA -0.235 56.103 56.287 0.085 0.000 1.008 763 K CB 0.206 32.738 32.500 0.053 0.000 0.917 763 K HN 0.536 nan 8.250 nan 0.000 0.478 764 Y N 3.761 124.058 120.300 -0.005 0.000 2.402 764 Y HA 0.103 4.652 4.550 -0.001 0.000 0.333 764 Y C 0.618 176.514 175.900 -0.006 0.000 1.076 764 Y CA 0.501 58.593 58.100 -0.013 0.000 1.299 764 Y CB 0.689 39.130 38.460 -0.032 0.000 1.197 764 Y HN 0.784 nan 8.280 nan 0.000 0.517 765 T N 1.769 115.985 114.554 -0.564 0.000 3.200 765 T HA 0.426 4.776 4.350 -0.001 0.000 0.284 765 T C 0.676 174.993 174.700 -0.638 0.000 1.009 765 T CA 0.020 61.829 62.100 -0.485 0.000 0.907 765 T CB -0.384 68.353 68.868 -0.219 0.000 1.120 765 T HN 0.729 nan 8.240 nan 0.000 0.534 766 G N 2.240 110.299 108.800 -1.234 0.000 2.510 766 G HA2 0.613 4.572 3.960 -0.001 0.000 0.280 766 G HA3 0.613 4.572 3.960 -0.001 0.000 0.280 766 G C -2.472 172.228 174.900 -0.334 0.000 1.386 766 G CA -1.467 43.268 45.100 -0.609 0.000 1.047 766 G HN 0.254 nan 8.290 nan 0.000 0.527 767 P HA 0.371 nan 4.420 nan 0.000 0.269 767 P C 0.151 177.550 177.300 0.165 0.000 1.215 767 P CA -0.190 62.939 63.100 0.048 0.000 0.780 767 P CB 0.566 32.303 31.700 0.063 0.000 0.898 768 A N 1.935 124.830 122.820 0.124 0.000 2.492 768 A HA 0.323 4.643 4.320 -0.001 0.000 0.236 768 A C -0.028 177.647 177.584 0.151 0.000 1.078 768 A CA 0.160 52.292 52.037 0.158 0.000 0.773 768 A CB -0.020 19.039 19.000 0.097 0.000 1.023 768 A HN 0.414 nan 8.150 nan 0.000 0.504 769 V N 0.294 120.296 119.914 0.147 0.000 2.925 769 V HA 0.570 4.689 4.120 -0.001 0.000 0.311 769 V C -0.187 175.956 176.094 0.081 0.000 1.104 769 V CA -0.382 61.983 62.300 0.109 0.000 0.954 769 V CB 2.709 34.602 31.823 0.117 0.000 1.022 769 V HN 0.994 nan 8.190 nan 0.000 0.427 770 T N 5.636 120.222 114.554 0.053 0.000 2.770 770 T HA 0.551 4.900 4.350 -0.001 0.000 0.283 770 T C -0.364 174.353 174.700 0.028 0.000 0.988 770 T CA -0.236 61.885 62.100 0.034 0.000 0.957 770 T CB 0.792 69.671 68.868 0.019 0.000 0.930 770 T HN 0.386 nan 8.240 nan 0.000 0.443 771 L N 3.524 124.768 121.223 0.034 0.000 2.410 771 L HA 0.262 4.601 4.340 -0.001 0.000 0.273 771 L C 1.636 178.510 176.870 0.008 0.000 1.152 771 L CA -0.047 54.818 54.840 0.043 0.000 0.855 771 L CB 0.559 42.680 42.059 0.104 0.000 1.129 771 L HN 0.820 nan 8.230 nan 0.000 0.463 772 T N -2.854 111.671 114.554 -0.049 0.000 3.040 772 T HA 0.115 4.464 4.350 -0.001 0.000 0.266 772 T C 1.344 175.952 174.700 -0.154 0.000 1.005 772 T CA 0.252 62.301 62.100 -0.085 0.000 0.906 772 T CB 0.544 69.356 68.868 -0.093 0.000 1.082 772 T HN 0.656 nan 8.240 nan 0.000 0.531 773 G N 0.528 109.155 108.800 -0.288 0.000 2.880 773 G HA2 0.225 4.184 3.960 -0.001 0.000 0.209 773 G HA3 0.225 4.184 3.960 -0.001 0.000 0.209 773 G C 0.383 175.000 174.900 -0.472 0.000 1.157 773 G CA -0.136 44.703 45.100 -0.436 0.000 0.779 773 G HN 0.516 nan 8.290 nan 0.000 0.539 774 F N 0.679 120.657 119.950 0.046 0.000 2.647 774 F HA 0.366 4.892 4.527 -0.001 0.000 0.300 774 F C 0.450 176.265 175.800 0.025 0.000 1.106 774 F CA -1.195 56.824 58.000 0.032 0.000 1.313 774 F CB 0.505 39.451 39.000 -0.090 0.000 1.007 774 F HN 0.003 nan 8.300 nan 0.000 0.536 775 V N -2.189 117.780 119.914 0.092 0.000 2.962 775 V HA 0.945 5.064 4.120 -0.001 0.000 0.313 775 V C 0.028 176.073 176.094 -0.082 0.000 1.099 775 V CA -1.643 60.673 62.300 0.027 0.000 0.971 775 V CB 1.102 32.921 31.823 -0.007 0.000 1.028 775 V HN 0.017 nan 8.190 nan 0.000 0.430 776 A N 3.154 125.891 122.820 -0.139 0.000 2.366 776 A HA 0.765 5.084 4.320 -0.001 0.000 0.249 776 A C -2.287 175.008 177.584 -0.482 0.000 1.084 776 A CA -1.339 50.434 52.037 -0.440 0.000 0.794 776 A CB -0.672 18.122 19.000 -0.343 0.000 1.034 776 A HN 0.870 nan 8.150 nan 0.000 0.491 777 P HA 0.064 nan 4.420 nan 0.000 0.264 777 P C 0.488 177.610 177.300 -0.296 0.000 1.183 777 P CA 0.061 62.862 63.100 -0.499 0.000 0.763 777 P CB 0.462 31.790 31.700 -0.620 0.000 0.807 778 K N 3.167 123.463 120.400 -0.174 0.000 2.107 778 K HA -0.258 4.061 4.320 -0.001 0.000 0.211 778 K C 1.769 178.330 176.600 -0.066 0.000 1.049 778 K CA 2.233 58.459 56.287 -0.102 0.000 0.927 778 K CB -0.557 31.899 32.500 -0.074 0.000 0.714 778 K HN 0.541 nan 8.250 nan 0.000 0.452 779 A N -0.640 122.150 122.820 -0.049 0.000 2.206 779 A HA 0.156 4.476 4.320 -0.001 0.000 0.211 779 A C 1.761 179.367 177.584 0.037 0.000 1.158 779 A CA 1.193 53.230 52.037 0.002 0.000 0.761 779 A CB -0.122 18.899 19.000 0.034 0.000 0.801 779 A HN 0.341 nan 8.150 nan 0.000 0.473 780 A N -0.530 122.287 122.820 -0.004 0.000 2.390 780 A HA 0.315 4.635 4.320 -0.001 0.000 0.232 780 A C 0.685 178.318 177.584 0.082 0.000 1.233 780 A CA -0.281 51.818 52.037 0.102 0.000 0.907 780 A CB -0.032 19.017 19.000 0.082 0.000 0.967 780 A HN 0.546 nan 8.150 nan 0.000 0.512 781 E N 0.000 120.214 120.200 0.023 0.000 2.725 781 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 781 E CA 0.000 56.406 56.400 0.009 0.000 0.976 781 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440