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 2wva_1_F DATA FIRST_RESID 2 DATA SEQUENCE SYTVGTYLAE RLVQIGLKHH FAVAGDYNLV LLDNLLLNKN MEQVYCCNEL DATA SEQUENCE NCGFSAEGYA RAKGAAAAVV TYSVGALSAF DAIGGAYAEN LPVILISGAP DATA SEQUENCE NNNDHAAGHV LHHALGKTDY HYQLEMAKNI TAAAEAIYTP EEAPAKIDHV DATA SEQUENCE IKTALREKKP VYLEIACNIA SMPCAAPGPA SALFNDEASD EASLNAAVEE DATA SEQUENCE TLKFIANRDK VAVLVGSKLR AAGAEEAAVK FADALGGAVA TMAAAKSFFP DATA SEQUENCE EENPHYIGTS WGEVSYPGVE KTMKEADAVI ALAPVFNDYS TTGWTDIPDP DATA SEQUENCE KKLVLAEPRS VVVNGIRFPS VHLKDYLTRL AQKVSKKTGA LDFFKSLNAG DATA SEQUENCE ELKKAAPADP SAPLVNAEIA RQVEALLTPN TTVIAETGDS WFNAQRMKLP DATA SEQUENCE NGARVEYEMQ WGHIGWSVPA AFGYAVGAPE RRNILMVGDG SFQLTAQEVA DATA SEQUENCE QMVRLKLPVI IFLINNYGYT IEVMIHDGPY NNIKNWDYAG LMEVFNGNGG DATA SEQUENCE YDSGAGKGLK AKTGGELAEA IKVALANTDG PTLIECFIGR EDCTEELVKW DATA SEQUENCE GKRVAAANSR KPVNK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.496 174.600 -0.173 0.000 1.055 2 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 2 S CB 0.000 63.213 63.200 0.021 0.000 0.593 3 Y N 1.127 121.455 120.300 0.048 0.000 2.457 3 Y HA 0.730 5.295 4.550 0.024 0.000 0.333 3 Y C 1.158 177.096 175.900 0.062 0.000 1.119 3 Y CA 0.053 58.194 58.100 0.068 0.000 1.143 3 Y CB 2.149 40.686 38.460 0.129 0.000 1.230 3 Y HN 1.006 nan 8.280 nan 0.000 0.469 4 T N -2.686 111.991 114.554 0.204 0.000 2.949 4 T HA 0.346 4.711 4.350 0.024 0.000 0.287 4 T C 0.882 175.676 174.700 0.157 0.000 1.034 4 T CA -0.751 61.428 62.100 0.131 0.000 1.018 4 T CB 1.081 69.991 68.868 0.071 0.000 1.135 4 T HN 0.361 nan 8.240 nan 0.000 0.532 5 V N 1.682 121.641 119.914 0.076 0.000 2.317 5 V HA -0.126 4.009 4.120 0.024 0.000 0.251 5 V C 2.825 178.971 176.094 0.086 0.000 1.065 5 V CA 2.666 64.990 62.300 0.040 0.000 1.049 5 V CB -1.460 30.358 31.823 -0.007 0.000 0.651 5 V HN 1.110 nan 8.190 nan 0.000 0.450 6 G N -0.392 108.453 108.800 0.074 0.000 2.403 6 G HA2 -0.219 3.756 3.960 0.024 0.000 0.216 6 G HA3 -0.219 3.756 3.960 0.024 0.000 0.216 6 G C 1.739 176.693 174.900 0.091 0.000 1.154 6 G CA 1.360 46.495 45.100 0.060 0.000 0.784 6 G HN 0.587 nan 8.290 nan 0.000 0.538 7 T N -2.597 112.039 114.554 0.138 0.000 3.023 7 T HA -0.073 4.291 4.350 0.024 0.000 0.266 7 T C 2.065 176.962 174.700 0.329 0.000 1.093 7 T CA 1.035 63.243 62.100 0.180 0.000 1.129 7 T CB -0.353 68.581 68.868 0.110 0.000 0.899 7 T HN 0.250 nan 8.240 nan 0.000 0.491 8 Y N 1.652 122.071 120.300 0.198 0.000 2.145 8 Y HA 0.038 4.603 4.550 0.024 0.000 0.286 8 Y C 2.183 178.069 175.900 -0.024 0.000 1.145 8 Y CA 1.267 59.387 58.100 0.033 0.000 1.148 8 Y CB -0.615 37.825 38.460 -0.032 0.000 0.981 8 Y HN 0.224 nan 8.280 nan 0.000 0.507 9 L N 0.698 122.063 121.223 0.238 0.000 2.012 9 L HA -0.162 4.193 4.340 0.024 0.000 0.210 9 L C 2.430 179.290 176.870 -0.016 0.000 1.073 9 L CA 2.304 57.200 54.840 0.093 0.000 0.748 9 L CB -1.377 40.702 42.059 0.035 0.000 0.891 9 L HN 0.264 nan 8.230 nan 0.000 0.431 10 A N -0.862 121.948 122.820 -0.016 0.000 1.908 10 A HA -0.266 4.069 4.320 0.024 0.000 0.218 10 A C 2.253 179.815 177.584 -0.036 0.000 1.181 10 A CA 1.836 53.842 52.037 -0.053 0.000 0.627 10 A CB -0.736 18.248 19.000 -0.026 0.000 0.818 10 A HN 0.592 nan 8.150 nan 0.000 0.445 11 E N -0.120 120.065 120.200 -0.024 0.000 2.047 11 E HA -0.162 4.202 4.350 0.024 0.000 0.191 11 E C 2.177 178.701 176.600 -0.126 0.000 0.987 11 E CA 1.170 57.535 56.400 -0.058 0.000 0.799 11 E CB -0.182 29.476 29.700 -0.070 0.000 0.752 11 E HN 0.356 nan 8.360 nan 0.000 0.449 12 R N 0.261 120.641 120.500 -0.199 0.000 2.103 12 R HA -0.123 4.232 4.340 0.024 0.000 0.242 12 R C 2.514 178.765 176.300 -0.082 0.000 1.142 12 R CA 1.283 57.287 56.100 -0.160 0.000 0.960 12 R CB -1.086 29.128 30.300 -0.144 0.000 0.858 12 R HN 0.349 nan 8.270 nan 0.000 0.439 13 L N 0.014 121.199 121.223 -0.063 0.000 2.056 13 L HA -0.135 4.220 4.340 0.024 0.000 0.207 13 L C 2.493 179.363 176.870 0.000 0.000 1.078 13 L CA 0.897 55.717 54.840 -0.033 0.000 0.749 13 L CB -0.545 41.481 42.059 -0.055 0.000 0.901 13 L HN -0.058 nan 8.230 nan 0.000 0.433 14 V N -0.329 119.579 119.914 -0.010 0.000 2.343 14 V HA -0.317 3.818 4.120 0.024 0.000 0.247 14 V C 2.448 178.558 176.094 0.028 0.000 1.051 14 V CA 1.708 64.013 62.300 0.009 0.000 1.036 14 V CB -0.541 31.280 31.823 -0.003 0.000 0.654 14 V HN 0.507 nan 8.190 nan 0.000 0.451 15 Q N -0.282 119.527 119.800 0.015 0.000 2.234 15 Q HA -0.153 4.202 4.340 0.024 0.000 0.206 15 Q C 2.014 178.112 176.000 0.163 0.000 0.980 15 Q CA 1.873 57.709 55.803 0.055 0.000 0.869 15 Q CB -0.234 28.511 28.738 0.013 0.000 0.912 15 Q HN 0.880 nan 8.270 nan 0.000 0.436 16 I N -4.798 115.853 120.570 0.134 0.000 3.793 16 I HA 0.344 4.529 4.170 0.024 0.000 0.315 16 I C 0.922 177.190 176.117 0.251 0.000 1.275 16 I CA 0.684 62.134 61.300 0.250 0.000 1.214 16 I CB 0.292 38.297 38.000 0.008 0.000 1.018 16 I HN 0.166 nan 8.210 nan 0.000 0.439 17 G N 1.446 110.339 108.800 0.155 0.000 2.184 17 G HA2 -0.173 3.801 3.960 0.024 0.000 0.206 17 G HA3 -0.173 3.801 3.960 0.024 0.000 0.206 17 G C -0.200 174.777 174.900 0.130 0.000 0.995 17 G CA -0.367 44.803 45.100 0.117 0.000 0.651 17 G HN 0.222 nan 8.290 nan 0.000 0.511 18 L N 0.912 122.222 121.223 0.146 0.000 2.455 18 L HA 0.415 4.770 4.340 0.024 0.000 0.272 18 L C 1.459 178.406 176.870 0.129 0.000 1.174 18 L CA 0.515 55.477 54.840 0.203 0.000 0.869 18 L CB 0.922 43.065 42.059 0.140 0.000 1.130 18 L HN 0.026 nan 8.230 nan 0.000 0.474 19 K N 2.056 122.576 120.400 0.200 0.000 2.355 19 K HA 0.244 4.579 4.320 0.024 0.000 0.198 19 K C -0.289 176.047 176.600 -0.439 0.000 1.039 19 K CA 0.096 56.343 56.287 -0.067 0.000 1.075 19 K CB 0.384 32.859 32.500 -0.042 0.000 0.870 19 K HN 0.608 nan 8.250 nan 0.000 0.540 20 H N -0.474 118.511 119.070 -0.141 0.000 2.985 20 H HA 0.382 4.952 4.556 0.024 0.000 0.360 20 H C -0.346 174.643 175.328 -0.565 0.000 1.221 20 H CA -0.949 54.807 56.048 -0.487 0.000 1.121 20 H CB 1.343 30.659 29.762 -0.744 0.000 1.854 20 H HN 0.045 nan 8.280 nan 0.000 0.551 21 H N -0.072 118.679 119.070 -0.531 0.000 2.895 21 H HA 0.466 5.036 4.556 0.024 0.000 0.373 21 H C -1.629 173.337 175.328 -0.603 0.000 1.174 21 H CA -0.908 54.870 56.048 -0.450 0.000 1.144 21 H CB 1.189 30.836 29.762 -0.192 0.000 1.793 21 H HN 0.361 nan 8.280 nan 0.000 0.551 22 F N 0.722 120.622 119.950 -0.084 0.000 2.458 22 F HA 0.714 5.255 4.527 0.024 0.000 0.330 22 F C 0.288 176.104 175.800 0.027 0.000 1.082 22 F CA -0.363 57.588 58.000 -0.081 0.000 0.995 22 F CB 2.144 41.124 39.000 -0.034 0.000 1.170 22 F HN 0.872 nan 8.300 nan 0.000 0.478 23 A N 1.404 124.340 122.820 0.193 0.000 2.574 23 A HA 0.825 5.160 4.320 0.024 0.000 0.297 23 A C -1.957 175.789 177.584 0.270 0.000 1.062 23 A CA -0.724 51.446 52.037 0.223 0.000 0.686 23 A CB 1.564 20.706 19.000 0.235 0.000 1.285 23 A HN 0.497 nan 8.150 nan 0.000 0.403 24 V N 1.428 121.464 119.914 0.204 0.000 2.483 24 V HA 0.656 4.791 4.120 0.024 0.000 0.297 24 V C 0.685 176.857 176.094 0.129 0.000 1.027 24 V CA -0.325 62.072 62.300 0.160 0.000 0.855 24 V CB 1.249 33.132 31.823 0.100 0.000 0.995 24 V HN 1.516 nan 8.190 nan 0.000 0.424 25 A N 3.464 126.343 122.820 0.098 0.000 2.445 25 A HA 0.766 5.101 4.320 0.024 0.000 0.242 25 A C 0.620 178.251 177.584 0.079 0.000 1.075 25 A CA 0.649 52.730 52.037 0.074 0.000 0.777 25 A CB 0.367 19.369 19.000 0.003 0.000 1.013 25 A HN 1.449 nan 8.150 nan 0.000 0.493 26 G N 0.398 109.260 108.800 0.103 0.000 2.703 26 G HA2 0.456 4.431 3.960 0.024 0.000 0.294 26 G HA3 0.456 4.431 3.960 0.024 0.000 0.294 26 G C -0.008 174.971 174.900 0.131 0.000 1.451 26 G CA 0.223 45.409 45.100 0.143 0.000 0.869 26 G HN 0.694 nan 8.290 nan 0.000 0.516 27 D N -0.274 120.182 120.400 0.093 0.000 2.265 27 D HA -0.194 4.461 4.640 0.024 0.000 0.208 27 D C 1.119 177.405 176.300 -0.024 0.000 0.977 27 D CA 1.280 55.270 54.000 -0.018 0.000 0.871 27 D CB -0.138 40.591 40.800 -0.120 0.000 0.925 27 D HN 0.401 nan 8.370 nan 0.000 0.485 28 Y N 0.790 121.181 120.300 0.152 0.000 2.561 28 Y HA 0.029 4.597 4.550 0.030 0.000 0.291 28 Y C 1.439 177.382 175.900 0.072 0.000 1.141 28 Y CA 1.048 59.207 58.100 0.098 0.000 1.303 28 Y CB -0.256 38.269 38.460 0.108 0.000 1.015 28 Y HN 0.209 nan 8.280 nan 0.000 0.547 29 N N -1.527 117.294 118.700 0.203 0.000 2.143 29 N HA 0.037 4.791 4.740 0.024 0.000 0.222 29 N C 0.849 176.419 175.510 0.101 0.000 1.264 29 N CA 0.148 53.281 53.050 0.139 0.000 0.897 29 N CB -0.864 37.704 38.487 0.134 0.000 1.092 29 N HN 0.238 nan 8.380 nan 0.000 0.516 30 L N -0.022 121.250 121.223 0.082 0.000 2.012 30 L HA -0.091 4.263 4.340 0.024 0.000 0.210 30 L C 1.920 178.822 176.870 0.053 0.000 1.073 30 L CA 1.235 56.110 54.840 0.058 0.000 0.748 30 L CB -0.543 41.534 42.059 0.029 0.000 0.891 30 L HN 0.026 nan 8.230 nan 0.000 0.431 31 V N -0.100 119.843 119.914 0.047 0.000 2.427 31 V HA -0.266 3.869 4.120 0.024 0.000 0.248 31 V C 2.399 178.520 176.094 0.045 0.000 1.051 31 V CA 1.493 63.817 62.300 0.040 0.000 1.048 31 V CB -0.409 31.434 31.823 0.033 0.000 0.666 31 V HN 0.319 nan 8.190 nan 0.000 0.456 32 L N -0.156 121.098 121.223 0.052 0.000 2.042 32 L HA -0.162 4.193 4.340 0.024 0.000 0.210 32 L C 2.190 179.090 176.870 0.050 0.000 1.076 32 L CA 1.921 56.786 54.840 0.043 0.000 0.749 32 L CB -0.585 41.498 42.059 0.041 0.000 0.893 32 L HN 0.210 nan 8.230 nan 0.000 0.432 33 L N -0.752 120.518 121.223 0.078 0.000 2.083 33 L HA -0.216 4.139 4.340 0.024 0.000 0.209 33 L C 2.263 179.194 176.870 0.101 0.000 1.083 33 L CA 1.259 56.168 54.840 0.115 0.000 0.752 33 L CB -0.896 41.256 42.059 0.154 0.000 0.899 33 L HN 0.299 nan 8.230 nan 0.000 0.433 34 D N 0.064 120.507 120.400 0.071 0.000 2.104 34 D HA -0.181 4.473 4.640 0.024 0.000 0.194 34 D C 1.962 178.289 176.300 0.045 0.000 0.994 34 D CA 1.131 55.164 54.000 0.054 0.000 0.830 34 D CB -0.303 40.520 40.800 0.037 0.000 0.959 34 D HN 0.338 nan 8.370 nan 0.000 0.452 35 N N 0.256 118.979 118.700 0.037 0.000 2.244 35 N HA -0.065 4.690 4.740 0.024 0.000 0.183 35 N C 2.065 177.590 175.510 0.024 0.000 1.016 35 N CA 0.375 53.442 53.050 0.028 0.000 0.866 35 N CB 0.012 38.517 38.487 0.030 0.000 0.980 35 N HN 0.215 nan 8.380 nan 0.000 0.430 36 L N 1.009 122.245 121.223 0.022 0.000 2.093 36 L HA -0.093 4.261 4.340 0.024 0.000 0.208 36 L C 2.222 179.132 176.870 0.066 0.000 1.085 36 L CA 0.677 55.516 54.840 -0.002 0.000 0.755 36 L CB -0.280 41.730 42.059 -0.083 0.000 0.904 36 L HN 0.132 nan 8.230 nan 0.000 0.435 37 L N -0.587 120.686 121.223 0.084 0.000 2.362 37 L HA -0.182 4.173 4.340 0.024 0.000 0.219 37 L C 2.326 179.217 176.870 0.035 0.000 1.134 37 L CA 0.626 55.510 54.840 0.073 0.000 0.807 37 L CB -0.210 41.894 42.059 0.074 0.000 0.927 37 L HN 0.304 nan 8.230 nan 0.000 0.447 38 L N -0.730 120.506 121.223 0.022 0.000 2.201 38 L HA -0.140 4.215 4.340 0.024 0.000 0.212 38 L C 1.188 178.053 176.870 -0.008 0.000 1.105 38 L CA 0.476 55.316 54.840 0.000 0.000 0.775 38 L CB -0.436 41.616 42.059 -0.012 0.000 0.913 38 L HN 0.309 nan 8.230 nan 0.000 0.440 39 N N 1.028 119.729 118.700 0.003 0.000 2.406 39 N HA -0.005 4.750 4.740 0.024 0.000 0.251 39 N C 0.540 176.046 175.510 -0.007 0.000 1.069 39 N CA 0.115 53.164 53.050 -0.002 0.000 0.947 39 N CB 1.010 39.501 38.487 0.007 0.000 1.111 39 N HN 0.007 nan 8.380 nan 0.000 0.497 40 K N 2.277 122.666 120.400 -0.019 0.000 2.487 40 K HA 0.092 4.427 4.320 0.024 0.000 0.192 40 K C 0.427 177.000 176.600 -0.044 0.000 1.027 40 K CA 0.130 56.400 56.287 -0.029 0.000 1.054 40 K CB 0.278 32.762 32.500 -0.027 0.000 0.824 40 K HN 0.514 nan 8.250 nan 0.000 0.510 41 N N 1.197 119.874 118.700 -0.038 0.000 2.521 41 N HA -0.008 4.747 4.740 0.024 0.000 0.188 41 N C 0.761 176.224 175.510 -0.078 0.000 1.146 41 N CA 0.400 53.421 53.050 -0.049 0.000 0.893 41 N CB 0.152 38.621 38.487 -0.029 0.000 0.975 41 N HN 0.384 nan 8.380 nan 0.000 0.451 42 M N -1.604 117.946 119.600 -0.085 0.000 2.575 42 M HA 0.497 4.992 4.480 0.024 0.000 0.284 42 M C -1.323 174.865 176.300 -0.186 0.000 1.253 42 M CA -0.834 54.374 55.300 -0.153 0.000 0.861 42 M CB 2.548 35.108 32.600 -0.067 0.000 1.733 42 M HN -0.296 nan 8.290 nan 0.000 0.462 43 E N 0.948 120.940 120.200 -0.347 0.000 2.227 43 E HA 0.349 4.714 4.350 0.024 0.000 0.268 43 E C -1.394 174.885 176.600 -0.534 0.000 0.990 43 E CA -0.816 55.383 56.400 -0.335 0.000 0.856 43 E CB 2.107 31.630 29.700 -0.295 0.000 1.159 43 E HN 0.615 nan 8.360 nan 0.000 0.401 44 Q N 1.722 121.182 119.800 -0.567 0.000 2.340 44 Q HA 0.326 4.680 4.340 0.024 0.000 0.259 44 Q C -1.498 173.935 176.000 -0.946 0.000 0.964 44 Q CA -0.533 54.712 55.803 -0.929 0.000 0.900 44 Q CB 1.178 29.573 28.738 -0.572 0.000 1.228 44 Q HN 0.255 nan 8.270 nan 0.000 0.449 45 V N 5.244 124.589 119.914 -0.949 0.000 2.398 45 V HA 0.329 4.464 4.120 0.024 0.000 0.286 45 V C -0.927 174.861 176.094 -0.509 0.000 1.026 45 V CA -0.708 61.184 62.300 -0.681 0.000 0.868 45 V CB 0.631 32.101 31.823 -0.589 0.000 0.982 45 V HN 0.658 nan 8.190 nan 0.000 0.443 46 Y N 2.533 122.866 120.300 0.055 0.000 2.320 46 Y HA 0.616 5.180 4.550 0.023 0.000 0.324 46 Y C 0.558 176.530 175.900 0.120 0.000 1.190 46 Y CA -0.671 57.476 58.100 0.078 0.000 1.215 46 Y CB 1.158 39.636 38.460 0.030 0.000 1.221 46 Y HN 0.563 nan 8.280 nan 0.000 0.486 47 C N 0.229 119.683 119.300 0.256 0.000 2.719 47 C HA 0.351 4.826 4.460 0.024 0.000 0.327 47 C C 1.492 176.519 174.990 0.061 0.000 1.238 47 C CA -0.733 58.365 59.018 0.134 0.000 1.727 47 C CB 1.502 29.339 27.740 0.163 0.000 2.256 47 C HN 1.112 nan 8.230 nan 0.000 0.489 48 C N 1.500 120.791 119.300 -0.015 0.000 2.462 48 C HA -0.002 4.473 4.460 0.024 0.000 0.278 48 C C 1.009 176.004 174.990 0.008 0.000 1.253 48 C CA 1.089 60.092 59.018 -0.025 0.000 1.713 48 C CB -1.439 26.258 27.740 -0.072 0.000 2.049 48 C HN 1.006 nan 8.230 nan 0.000 0.477 49 N N -0.668 118.042 118.700 0.016 0.000 2.697 49 N HA 0.303 5.058 4.740 0.024 0.000 0.272 49 N C -0.359 175.167 175.510 0.026 0.000 1.381 49 N CA -0.586 52.478 53.050 0.024 0.000 0.797 49 N CB 0.412 38.915 38.487 0.028 0.000 1.523 49 N HN -0.088 nan 8.380 nan 0.000 0.518 50 E N -0.557 119.648 120.200 0.009 0.000 2.216 50 E HA 0.062 4.426 4.350 0.024 0.000 0.192 50 E C 1.346 177.923 176.600 -0.039 0.000 0.988 50 E CA 0.327 56.721 56.400 -0.010 0.000 0.834 50 E CB -0.147 29.530 29.700 -0.037 0.000 0.772 50 E HN 0.529 nan 8.360 nan 0.000 0.479 51 L N 1.024 122.229 121.223 -0.031 0.000 2.027 51 L HA -0.139 4.215 4.340 0.024 0.000 0.206 51 L C 1.345 178.186 176.870 -0.049 0.000 1.074 51 L CA 1.742 56.537 54.840 -0.076 0.000 0.745 51 L CB -0.463 41.611 42.059 0.026 0.000 0.898 51 L HN 0.019 nan 8.230 nan 0.000 0.433 52 N N -0.962 117.772 118.700 0.058 0.000 2.166 52 N HA -0.222 4.533 4.740 0.024 0.000 0.186 52 N C 2.038 177.584 175.510 0.060 0.000 1.019 52 N CA 1.476 54.588 53.050 0.102 0.000 0.856 52 N CB -1.120 37.401 38.487 0.055 0.000 0.993 52 N HN 0.559 nan 8.380 nan 0.000 0.426 53 C N 0.408 119.726 119.300 0.030 0.000 2.432 53 C HA 0.017 4.492 4.460 0.024 0.000 0.277 53 C C 2.748 177.714 174.990 -0.040 0.000 1.249 53 C CA 1.284 60.324 59.018 0.038 0.000 1.725 53 C CB -1.291 26.497 27.740 0.080 0.000 2.028 53 C HN 0.514 nan 8.230 nan 0.000 0.477 54 G N -0.681 108.068 108.800 -0.084 0.000 2.446 54 G HA2 -0.178 3.796 3.960 0.024 0.000 0.217 54 G HA3 -0.178 3.796 3.960 0.024 0.000 0.217 54 G C 1.332 176.165 174.900 -0.112 0.000 1.168 54 G CA 0.907 45.919 45.100 -0.145 0.000 0.771 54 G HN 0.485 nan 8.290 nan 0.000 0.551 55 F N 1.741 121.685 119.950 -0.010 0.000 2.325 55 F HA 0.051 4.593 4.527 0.026 0.000 0.299 55 F C 2.994 178.740 175.800 -0.090 0.000 1.090 55 F CA 0.835 58.846 58.000 0.019 0.000 1.392 55 F CB -0.402 38.623 39.000 0.042 0.000 1.053 55 F HN 0.084 nan 8.300 nan 0.000 0.521 56 S N 0.044 115.724 115.700 -0.034 0.000 2.368 56 S HA -0.161 4.324 4.470 0.024 0.000 0.225 56 S C 2.433 176.635 174.600 -0.663 0.000 1.030 56 S CA 1.064 59.049 58.200 -0.359 0.000 0.999 56 S CB -0.691 62.217 63.200 -0.485 0.000 0.844 56 S HN 0.350 nan 8.310 nan 0.000 0.459 57 A N 1.604 124.073 122.820 -0.586 0.000 1.902 57 A HA -0.151 4.183 4.320 0.024 0.000 0.217 57 A C 2.096 179.699 177.584 0.030 0.000 1.181 57 A CA 1.477 53.352 52.037 -0.270 0.000 0.623 57 A CB -0.565 18.413 19.000 -0.037 0.000 0.818 57 A HN 0.447 nan 8.150 nan 0.000 0.443 58 E N -0.192 120.064 120.200 0.093 0.000 2.085 58 E HA -0.173 4.191 4.350 0.024 0.000 0.194 58 E C 2.131 178.888 176.600 0.262 0.000 0.994 58 E CA 1.414 57.949 56.400 0.226 0.000 0.801 58 E CB -0.451 29.487 29.700 0.398 0.000 0.743 58 E HN 0.520 nan 8.360 nan 0.000 0.453 59 G N -0.490 108.435 108.800 0.208 0.000 2.408 59 G HA2 -0.278 3.696 3.960 0.024 0.000 0.217 59 G HA3 -0.278 3.696 3.960 0.024 0.000 0.217 59 G C 1.494 176.530 174.900 0.227 0.000 1.150 59 G CA 0.693 45.923 45.100 0.216 0.000 0.776 59 G HN 0.350 nan 8.290 nan 0.000 0.542 60 Y N 1.868 122.173 120.300 0.009 0.000 2.224 60 Y HA 0.032 4.597 4.550 0.024 0.000 0.289 60 Y C 2.891 178.820 175.900 0.049 0.000 1.146 60 Y CA 1.287 59.399 58.100 0.020 0.000 1.182 60 Y CB -0.119 38.422 38.460 0.135 0.000 0.983 60 Y HN 0.240 nan 8.280 nan 0.000 0.524 61 A N 0.281 123.243 122.820 0.236 0.000 2.019 61 A HA -0.169 4.166 4.320 0.024 0.000 0.219 61 A C 2.218 179.853 177.584 0.085 0.000 1.164 61 A CA 1.533 53.661 52.037 0.150 0.000 0.644 61 A CB -0.524 18.570 19.000 0.156 0.000 0.805 61 A HN 0.522 nan 8.150 nan 0.000 0.449 62 R N -0.684 119.906 120.500 0.150 0.000 2.148 62 R HA -0.012 4.342 4.340 0.024 0.000 0.227 62 R C 2.276 178.649 176.300 0.122 0.000 1.103 62 R CA 1.095 57.315 56.100 0.201 0.000 0.983 62 R CB -0.272 30.244 30.300 0.359 0.000 0.874 62 R HN 0.519 nan 8.270 nan 0.000 0.451 63 A N 0.584 123.337 122.820 -0.111 0.000 1.943 63 A HA 0.008 4.342 4.320 0.024 0.000 0.213 63 A C 1.582 178.964 177.584 -0.337 0.000 1.181 63 A CA 0.833 52.600 52.037 -0.449 0.000 0.653 63 A CB 0.306 18.736 19.000 -0.950 0.000 0.833 63 A HN 0.004 nan 8.150 nan 0.000 0.451 64 K N -2.094 118.114 120.400 -0.320 0.000 2.402 64 K HA 0.274 4.608 4.320 0.024 0.000 0.203 64 K C 1.085 177.642 176.600 -0.071 0.000 1.077 64 K CA 0.788 56.928 56.287 -0.244 0.000 1.051 64 K CB 1.135 33.395 32.500 -0.400 0.000 0.907 64 K HN 0.654 nan 8.250 nan 0.000 0.554 65 G N 1.313 110.096 108.800 -0.029 0.000 2.284 65 G HA2 -0.244 3.730 3.960 0.024 0.000 0.230 65 G HA3 -0.244 3.730 3.960 0.024 0.000 0.230 65 G C 0.240 175.175 174.900 0.060 0.000 1.021 65 G CA 0.122 45.235 45.100 0.020 0.000 0.619 65 G HN 0.626 nan 8.290 nan 0.000 0.510 66 A N -1.039 121.844 122.820 0.105 0.000 2.588 66 A HA 1.164 5.499 4.320 0.024 0.000 0.290 66 A C -0.252 177.483 177.584 0.252 0.000 1.136 66 A CA 0.678 52.794 52.037 0.132 0.000 0.681 66 A CB 0.907 19.962 19.000 0.092 0.000 1.282 66 A HN 2.302 nan 8.150 nan 0.000 0.421 67 A N -1.283 121.665 122.820 0.214 0.000 2.566 67 A HA 0.990 5.324 4.320 0.024 0.000 0.290 67 A C -0.812 176.864 177.584 0.153 0.000 1.071 67 A CA 0.059 52.253 52.037 0.262 0.000 0.658 67 A CB 0.476 19.683 19.000 0.344 0.000 1.285 67 A HN 2.657 nan 8.150 nan 0.000 0.427 68 A N -0.552 122.363 122.820 0.159 0.000 2.486 68 A HA 0.962 5.296 4.320 0.024 0.000 0.300 68 A C -0.457 177.246 177.584 0.198 0.000 1.048 68 A CA 0.117 52.229 52.037 0.126 0.000 0.696 68 A CB 1.345 20.383 19.000 0.063 0.000 1.278 68 A HN 2.556 nan 8.150 nan 0.000 0.405 69 A N 1.224 124.131 122.820 0.145 0.000 2.356 69 A HA 0.725 5.060 4.320 0.024 0.000 0.310 69 A C -1.046 176.606 177.584 0.114 0.000 1.075 69 A CA -0.484 51.652 52.037 0.166 0.000 0.746 69 A CB 1.379 20.448 19.000 0.114 0.000 1.221 69 A HN 1.377 nan 8.150 nan 0.000 0.443 70 V N 3.155 123.152 119.914 0.138 0.000 2.448 70 V HA 0.663 4.798 4.120 0.024 0.000 0.295 70 V C 0.151 176.306 176.094 0.103 0.000 1.025 70 V CA -0.359 62.002 62.300 0.101 0.000 0.859 70 V CB 1.012 32.905 31.823 0.117 0.000 0.988 70 V HN 1.184 nan 8.190 nan 0.000 0.431 71 V N 1.510 121.466 119.914 0.070 0.000 3.158 71 V HA 0.793 4.927 4.120 0.024 0.000 0.311 71 V C -0.258 175.880 176.094 0.074 0.000 1.181 71 V CA -0.604 61.732 62.300 0.060 0.000 1.054 71 V CB 2.000 33.830 31.823 0.012 0.000 1.085 71 V HN 0.704 nan 8.190 nan 0.000 0.446 72 T N -0.292 114.307 114.554 0.075 0.000 2.927 72 T HA 0.502 4.867 4.350 0.024 0.000 0.281 72 T C -0.889 173.879 174.700 0.113 0.000 0.998 72 T CA -0.222 61.971 62.100 0.154 0.000 1.019 72 T CB 0.775 69.766 68.868 0.205 0.000 1.061 72 T HN 0.795 nan 8.240 nan 0.000 0.518 73 Y N 2.737 123.058 120.300 0.035 0.000 2.620 73 Y HA 0.211 4.774 4.550 0.021 0.000 0.330 73 Y C 1.574 177.421 175.900 -0.089 0.000 1.186 73 Y CA 1.506 59.526 58.100 -0.132 0.000 1.467 73 Y CB -0.241 37.914 38.460 -0.508 0.000 1.262 73 Y HN 1.003 nan 8.280 nan 0.000 0.550 74 S N 1.035 116.319 115.700 -0.692 0.000 2.557 74 S HA -0.345 4.139 4.470 0.024 0.000 0.240 74 S C 1.386 175.826 174.600 -0.266 0.000 1.210 74 S CA 2.292 60.189 58.200 -0.505 0.000 2.526 74 S CB -1.864 61.148 63.200 -0.313 0.000 1.373 74 S HN 1.170 nan 8.310 nan 0.000 0.497 75 V N 0.745 120.530 119.914 -0.216 0.000 2.626 75 V HA 0.194 4.329 4.120 0.024 0.000 0.252 75 V C 2.163 178.149 176.094 -0.178 0.000 1.067 75 V CA 2.477 64.658 62.300 -0.198 0.000 1.081 75 V CB -1.419 30.227 31.823 -0.295 0.000 0.686 75 V HN 0.710 nan 8.190 nan 0.000 0.468 76 G N -0.239 108.453 108.800 -0.180 0.000 2.417 76 G HA2 0.105 4.079 3.960 0.024 0.000 0.212 76 G HA3 0.105 4.079 3.960 0.024 0.000 0.212 76 G C 1.703 176.478 174.900 -0.208 0.000 1.187 76 G CA 0.840 45.859 45.100 -0.135 0.000 0.804 76 G HN 0.755 nan 8.290 nan 0.000 0.534 77 A N 0.573 123.209 122.820 -0.308 0.000 1.877 77 A HA 0.070 4.405 4.320 0.024 0.000 0.216 77 A C 2.371 179.399 177.584 -0.927 0.000 1.186 77 A CA 1.431 53.144 52.037 -0.541 0.000 0.620 77 A CB -0.525 18.150 19.000 -0.543 0.000 0.822 77 A HN 0.272 nan 8.150 nan 0.000 0.443 78 L N 0.859 121.645 121.223 -0.729 0.000 2.012 78 L HA -0.217 4.138 4.340 0.024 0.000 0.210 78 L C 3.065 179.788 176.870 -0.245 0.000 1.073 78 L CA 2.554 57.066 54.840 -0.546 0.000 0.748 78 L CB -0.784 41.156 42.059 -0.199 0.000 0.891 78 L HN 0.596 nan 8.230 nan 0.000 0.431 79 S N -1.076 114.528 115.700 -0.161 0.000 2.383 79 S HA -0.132 4.353 4.470 0.024 0.000 0.227 79 S C 2.140 176.702 174.600 -0.064 0.000 1.026 79 S CA 0.745 58.915 58.200 -0.050 0.000 0.981 79 S CB -0.846 62.338 63.200 -0.028 0.000 0.818 79 S HN 0.339 nan 8.310 nan 0.000 0.472 80 A N 1.317 124.054 122.820 -0.138 0.000 1.978 80 A HA 0.063 4.397 4.320 0.024 0.000 0.220 80 A C 1.840 179.433 177.584 0.015 0.000 1.170 80 A CA 1.247 53.219 52.037 -0.108 0.000 0.636 80 A CB -1.057 17.884 19.000 -0.097 0.000 0.810 80 A HN 0.474 nan 8.150 nan 0.000 0.448 81 F N 0.602 120.523 119.950 -0.048 0.000 2.192 81 F HA -0.187 4.360 4.527 0.033 0.000 0.301 81 F C 2.164 177.950 175.800 -0.024 0.000 1.079 81 F CA 1.192 59.168 58.000 -0.040 0.000 1.303 81 F CB -0.901 38.086 39.000 -0.022 0.000 1.024 81 F HN 0.332 nan 8.300 nan 0.000 0.494 82 D N -0.012 120.512 120.400 0.208 0.000 2.117 82 D HA -0.130 4.525 4.640 0.024 0.000 0.197 82 D C 2.252 178.582 176.300 0.049 0.000 0.987 82 D CA 1.352 55.518 54.000 0.277 0.000 0.829 82 D CB -0.143 40.834 40.800 0.294 0.000 0.961 82 D HN 0.191 nan 8.370 nan 0.000 0.460 83 A N 0.579 123.179 122.820 -0.366 0.000 1.929 83 A HA -0.087 4.247 4.320 0.024 0.000 0.216 83 A C 2.252 179.621 177.584 -0.357 0.000 1.176 83 A CA 0.693 52.242 52.037 -0.813 0.000 0.628 83 A CB -0.401 17.971 19.000 -1.046 0.000 0.816 83 A HN 0.241 nan 8.150 nan 0.000 0.444 84 I N 0.212 120.675 120.570 -0.178 0.000 2.202 84 I HA -0.170 4.015 4.170 0.024 0.000 0.242 84 I C 2.706 178.681 176.117 -0.236 0.000 1.091 84 I CA 1.436 62.672 61.300 -0.108 0.000 1.368 84 I CB -1.996 36.028 38.000 0.039 0.000 1.058 84 I HN 0.337 nan 8.210 nan 0.000 0.410 85 G N 0.774 109.373 108.800 -0.335 0.000 2.469 85 G HA2 -0.235 3.740 3.960 0.024 0.000 0.219 85 G HA3 -0.235 3.740 3.960 0.024 0.000 0.219 85 G C 1.752 175.812 174.900 -1.400 0.000 1.150 85 G CA 1.006 45.691 45.100 -0.693 0.000 0.763 85 G HN 0.489 nan 8.290 nan 0.000 0.561 86 G N 0.951 108.800 108.800 -1.585 0.000 2.418 86 G HA2 0.069 4.043 3.960 0.024 0.000 0.217 86 G HA3 0.069 4.043 3.960 0.024 0.000 0.217 86 G C 2.043 176.651 174.900 -0.486 0.000 1.158 86 G CA 1.453 45.657 45.100 -1.494 0.000 0.771 86 G HN 0.659 nan 8.290 nan 0.000 0.545 87 A N -0.208 122.457 122.820 -0.260 0.000 1.933 87 A HA -0.012 4.322 4.320 0.024 0.000 0.218 87 A C 2.183 179.704 177.584 -0.105 0.000 1.175 87 A CA 1.607 53.590 52.037 -0.089 0.000 0.628 87 A CB -0.615 18.366 19.000 -0.032 0.000 0.814 87 A HN 0.435 nan 8.150 nan 0.000 0.444 88 Y N 0.538 120.686 120.300 -0.252 0.000 2.145 88 Y HA -0.111 4.461 4.550 0.036 0.000 0.286 88 Y C 2.684 178.491 175.900 -0.155 0.000 1.145 88 Y CA 1.361 59.346 58.100 -0.191 0.000 1.148 88 Y CB -0.472 37.860 38.460 -0.213 0.000 0.981 88 Y HN 0.304 nan 8.280 nan 0.000 0.507 89 A N -0.282 122.546 122.820 0.014 0.000 2.019 89 A HA -0.123 4.212 4.320 0.024 0.000 0.219 89 A C 1.699 179.290 177.584 0.013 0.000 1.164 89 A CA 1.780 53.872 52.037 0.091 0.000 0.644 89 A CB -0.352 18.770 19.000 0.203 0.000 0.805 89 A HN 0.511 nan 8.150 nan 0.000 0.449 90 E N 0.284 120.455 120.200 -0.048 0.000 2.501 90 E HA 0.053 4.417 4.350 0.024 0.000 0.200 90 E C -0.614 175.957 176.600 -0.048 0.000 1.016 90 E CA -0.292 56.086 56.400 -0.037 0.000 0.921 90 E CB -0.213 29.467 29.700 -0.033 0.000 1.034 90 E HN 0.594 nan 8.360 nan 0.000 0.468 91 N N 0.879 119.511 118.700 -0.114 0.000 2.714 91 N HA -0.208 4.546 4.740 0.024 0.000 0.253 91 N C -0.714 174.739 175.510 -0.095 0.000 1.024 91 N CA 0.664 53.627 53.050 -0.146 0.000 0.726 91 N CB -1.497 36.919 38.487 -0.119 0.000 0.908 91 N HN 0.226 nan 8.380 nan 0.000 0.542 92 L N 0.248 121.425 121.223 -0.078 0.000 2.356 92 L HA 0.421 4.775 4.340 0.024 0.000 0.277 92 L C -2.114 174.739 176.870 -0.030 0.000 0.996 92 L CA -1.811 53.016 54.840 -0.022 0.000 0.822 92 L CB 2.186 44.269 42.059 0.040 0.000 1.256 92 L HN -0.221 nan 8.230 nan 0.000 0.413 93 P HA 0.081 nan 4.420 nan 0.000 0.249 93 P C -0.548 176.764 177.300 0.020 0.000 1.737 93 P CA -0.035 63.053 63.100 -0.021 0.000 1.128 93 P CB 0.087 31.770 31.700 -0.030 0.000 1.942 94 V N 4.512 124.443 119.914 0.027 0.000 2.465 94 V HA 0.258 4.392 4.120 0.024 0.000 0.279 94 V C 0.721 176.839 176.094 0.041 0.000 1.045 94 V CA -0.439 61.893 62.300 0.053 0.000 0.938 94 V CB 1.211 33.067 31.823 0.056 0.000 0.986 94 V HN 0.279 nan 8.190 nan 0.000 0.467 95 I N 5.838 126.435 120.570 0.044 0.000 2.312 95 I HA 0.328 4.513 4.170 0.024 0.000 0.290 95 I C -0.421 175.718 176.117 0.038 0.000 1.008 95 I CA -0.415 60.901 61.300 0.026 0.000 1.226 95 I CB 1.404 39.404 38.000 0.000 0.000 1.371 95 I HN 0.430 nan 8.210 nan 0.000 0.468 96 L N 8.864 130.119 121.223 0.054 0.000 2.264 96 L HA 0.562 4.917 4.340 0.024 0.000 0.289 96 L C -0.757 176.093 176.870 -0.034 0.000 1.044 96 L CA 0.065 54.944 54.840 0.065 0.000 0.807 96 L CB 0.785 42.949 42.059 0.176 0.000 1.192 96 L HN 0.393 nan 8.230 nan 0.000 0.425 97 I N 4.267 124.809 120.570 -0.048 0.000 2.378 97 I HA 0.437 4.621 4.170 0.024 0.000 0.291 97 I C -0.001 176.066 176.117 -0.083 0.000 0.992 97 I CA -0.043 61.182 61.300 -0.125 0.000 1.154 97 I CB 1.836 39.782 38.000 -0.090 0.000 1.315 97 I HN 0.599 nan 8.210 nan 0.000 0.448 98 S N 3.956 119.568 115.700 -0.146 0.000 2.472 98 S HA 0.766 5.251 4.470 0.024 0.000 0.303 98 S C 0.190 174.796 174.600 0.010 0.000 1.099 98 S CA -0.626 57.559 58.200 -0.024 0.000 1.077 98 S CB 1.134 64.363 63.200 0.048 0.000 1.031 98 S HN 0.806 nan 8.310 nan 0.000 0.487 99 G N 2.033 110.883 108.800 0.083 0.000 2.614 99 G HA2 0.558 4.533 3.960 0.024 0.000 0.239 99 G HA3 0.558 4.533 3.960 0.024 0.000 0.239 99 G C -0.128 174.814 174.900 0.070 0.000 1.240 99 G CA 0.149 45.318 45.100 0.115 0.000 0.842 99 G HN 1.160 nan 8.290 nan 0.000 0.584 100 A N 1.878 124.663 122.820 -0.059 0.000 2.583 100 A HA 0.899 5.233 4.320 0.024 0.000 0.289 100 A C -2.905 174.395 177.584 -0.472 0.000 1.151 100 A CA -1.369 50.423 52.037 -0.407 0.000 0.695 100 A CB 1.273 20.161 19.000 -0.186 0.000 1.290 100 A HN 0.514 nan 8.150 nan 0.000 0.419 101 P HA 0.031 nan 4.420 nan 0.000 0.270 101 P C -0.350 176.898 177.300 -0.087 0.000 1.223 101 P CA -0.346 62.474 63.100 -0.467 0.000 0.785 101 P CB 0.339 31.513 31.700 -0.878 0.000 0.923 102 N N 2.834 121.552 118.700 0.029 0.000 2.292 102 N HA -0.116 4.639 4.740 0.024 0.000 0.258 102 N C 0.994 176.558 175.510 0.090 0.000 1.261 102 N CA 0.224 53.315 53.050 0.068 0.000 0.845 102 N CB 0.250 38.776 38.487 0.066 0.000 1.064 102 N HN 0.366 nan 8.380 nan 0.000 0.471 103 N N 3.623 122.412 118.700 0.148 0.000 2.573 103 N HA -0.122 4.632 4.740 0.024 0.000 0.187 103 N C 0.338 175.960 175.510 0.187 0.000 1.107 103 N CA 0.794 53.984 53.050 0.235 0.000 0.918 103 N CB -0.264 38.320 38.487 0.162 0.000 0.966 103 N HN 0.468 nan 8.380 nan 0.000 0.448 104 N N 0.608 119.378 118.700 0.118 0.000 2.457 104 N HA -0.058 4.696 4.740 0.024 0.000 0.180 104 N C 0.066 175.624 175.510 0.080 0.000 1.050 104 N CA 0.613 53.719 53.050 0.094 0.000 0.906 104 N CB 0.053 38.596 38.487 0.093 0.000 0.968 104 N HN 0.355 nan 8.380 nan 0.000 0.445 105 D N -0.171 120.265 120.400 0.061 0.000 2.349 105 D HA -0.005 4.650 4.640 0.024 0.000 0.215 105 D C 0.386 176.632 176.300 -0.091 0.000 1.016 105 D CA 0.337 54.346 54.000 0.015 0.000 0.870 105 D CB 0.131 40.931 40.800 -0.001 0.000 0.917 105 D HN 0.324 nan 8.370 nan 0.000 0.524 106 H N 0.580 119.636 119.070 -0.022 0.000 2.707 106 H HA 0.258 4.827 4.556 0.020 0.000 0.359 106 H C 1.049 176.332 175.328 -0.075 0.000 1.113 106 H CA 0.233 56.266 56.048 -0.025 0.000 1.422 106 H CB 1.027 30.701 29.762 -0.146 0.000 1.443 106 H HN -0.032 nan 8.280 nan 0.000 0.591 107 A N 1.967 124.812 122.820 0.042 0.000 2.665 107 A HA -0.214 4.120 4.320 0.024 0.000 0.301 107 A C 1.255 178.788 177.584 -0.085 0.000 1.509 107 A CA 1.188 53.210 52.037 -0.024 0.000 0.789 107 A CB -1.772 17.217 19.000 -0.018 0.000 1.024 107 A HN 0.869 nan 8.150 nan 0.000 0.460 108 A N -1.196 121.520 122.820 -0.172 0.000 2.498 108 A HA 0.588 4.922 4.320 0.024 0.000 0.238 108 A C 2.052 179.440 177.584 -0.326 0.000 1.225 108 A CA 1.224 53.054 52.037 -0.345 0.000 0.978 108 A CB -0.248 18.328 19.000 -0.707 0.000 1.142 108 A HN 2.609 nan 8.150 nan 0.000 0.552 109 G N 0.286 108.994 108.800 -0.155 0.000 2.225 109 G HA2 -0.247 3.727 3.960 0.024 0.000 0.264 109 G HA3 -0.247 3.727 3.960 0.024 0.000 0.264 109 G C -0.234 174.747 174.900 0.134 0.000 1.060 109 G CA 0.503 45.594 45.100 -0.016 0.000 0.833 109 G HN 0.828 nan 8.290 nan 0.000 0.498 110 H N -1.242 117.884 119.070 0.092 0.000 2.467 110 H HA 0.487 5.058 4.556 0.025 0.000 0.326 110 H C 0.078 175.520 175.328 0.191 0.000 1.094 110 H CA -1.223 54.897 56.048 0.120 0.000 1.253 110 H CB 2.015 31.844 29.762 0.112 0.000 1.439 110 H HN 0.115 nan 8.280 nan 0.000 0.479 111 V N 5.663 125.744 119.914 0.278 0.000 2.498 111 V HA 0.175 4.310 4.120 0.024 0.000 0.279 111 V C 0.089 176.338 176.094 0.258 0.000 1.048 111 V CA -0.351 62.102 62.300 0.255 0.000 0.967 111 V CB 0.870 32.787 31.823 0.157 0.000 0.988 111 V HN 0.516 nan 8.190 nan 0.000 0.473 112 L N 4.636 126.050 121.223 0.319 0.000 2.362 112 L HA 0.557 4.912 4.340 0.024 0.000 0.271 112 L C 0.232 177.232 176.870 0.215 0.000 1.002 112 L CA -1.006 53.964 54.840 0.216 0.000 0.818 112 L CB 1.867 43.947 42.059 0.034 0.000 1.298 112 L HN 0.793 nan 8.230 nan 0.000 0.420 113 H N 1.651 120.784 119.070 0.105 0.000 2.998 113 H HA -0.052 4.520 4.556 0.027 0.000 0.353 113 H C -0.006 175.445 175.328 0.204 0.000 1.099 113 H CA 0.470 56.543 56.048 0.042 0.000 1.393 113 H CB 0.342 29.991 29.762 -0.188 0.000 1.343 113 H HN 0.757 nan 8.280 nan 0.000 0.609 114 H N -1.575 117.621 119.070 0.211 0.000 3.641 114 H HA -0.178 4.392 4.556 0.023 0.000 0.193 114 H C 0.431 175.898 175.328 0.231 0.000 1.013 114 H CA 0.976 57.141 56.048 0.195 0.000 1.212 114 H CB -1.752 28.145 29.762 0.224 0.000 1.089 114 H HN 0.932 nan 8.280 nan 0.000 0.339 115 A N 0.076 123.130 122.820 0.390 0.000 2.352 115 A HA 0.678 5.013 4.320 0.024 0.000 0.299 115 A C 1.535 179.285 177.584 0.277 0.000 1.160 115 A CA -0.130 52.188 52.037 0.468 0.000 0.933 115 A CB 0.504 19.928 19.000 0.707 0.000 1.387 115 A HN 0.102 nan 8.150 nan 0.000 0.487 116 L N -0.236 121.090 121.223 0.171 0.000 2.376 116 L HA 0.150 4.504 4.340 0.024 0.000 0.219 116 L C 1.756 178.646 176.870 0.033 0.000 1.133 116 L CA 1.250 56.085 54.840 -0.009 0.000 0.816 116 L CB -0.302 41.618 42.059 -0.232 0.000 0.933 116 L HN 1.191 nan 8.230 nan 0.000 0.449 117 G N -0.392 108.463 108.800 0.091 0.000 2.179 117 G HA2 -0.222 3.753 3.960 0.024 0.000 0.220 117 G HA3 -0.222 3.753 3.960 0.024 0.000 0.220 117 G C 0.292 175.217 174.900 0.040 0.000 0.990 117 G CA -0.119 45.028 45.100 0.079 0.000 0.646 117 G HN 0.325 nan 8.290 nan 0.000 0.517 118 K N -0.056 120.342 120.400 -0.003 0.000 2.399 118 K HA 0.626 4.961 4.320 0.024 0.000 0.247 118 K C 1.439 177.979 176.600 -0.099 0.000 1.036 118 K CA 0.098 56.357 56.287 -0.047 0.000 0.977 118 K CB 0.450 32.903 32.500 -0.079 0.000 1.272 118 K HN 0.215 nan 8.250 nan 0.000 0.501 119 T N -2.726 111.739 114.554 -0.148 0.000 3.223 119 T HA 0.135 4.500 4.350 0.024 0.000 0.259 119 T C -0.471 173.915 174.700 -0.522 0.000 1.015 119 T CA -0.385 61.589 62.100 -0.210 0.000 0.908 119 T CB -0.318 68.518 68.868 -0.054 0.000 1.054 119 T HN 0.393 nan 8.240 nan 0.000 0.567 120 D N 0.353 120.388 120.400 -0.608 0.000 2.278 120 D HA 0.427 5.081 4.640 0.024 0.000 0.245 120 D C -0.875 175.085 176.300 -0.568 0.000 1.052 120 D CA -0.820 52.904 54.000 -0.459 0.000 0.834 120 D CB 1.030 41.761 40.800 -0.116 0.000 1.194 120 D HN 0.214 nan 8.370 nan 0.000 0.481 121 Y N 1.207 121.636 120.300 0.215 0.000 2.716 121 Y HA 0.213 4.778 4.550 0.025 0.000 0.260 121 Y C 0.903 176.933 175.900 0.216 0.000 1.141 121 Y CA -0.351 57.872 58.100 0.204 0.000 1.168 121 Y CB 0.026 38.447 38.460 -0.066 0.000 1.189 121 Y HN 0.603 nan 8.280 nan 0.000 0.549 122 H N -1.118 118.096 119.070 0.239 0.000 2.563 122 H HA -0.027 4.526 4.556 -0.004 0.000 0.264 122 H C 1.809 177.226 175.328 0.149 0.000 0.957 122 H CA 0.774 56.945 56.048 0.205 0.000 1.173 122 H CB 0.223 30.087 29.762 0.169 0.000 1.420 122 H HN 0.439 nan 8.280 nan 0.000 0.551 123 Y N -0.649 119.792 120.300 0.236 0.000 2.242 123 Y HA -0.160 4.393 4.550 0.005 0.000 0.291 123 Y C 2.360 178.316 175.900 0.093 0.000 1.137 123 Y CA 1.226 59.414 58.100 0.147 0.000 1.181 123 Y CB -0.733 37.792 38.460 0.109 0.000 0.989 123 Y HN 0.235 nan 8.280 nan 0.000 0.527 124 Q N 0.585 120.087 119.800 -0.496 0.000 2.050 124 Q HA -0.198 4.156 4.340 0.024 0.000 0.202 124 Q C 2.250 178.160 176.000 -0.151 0.000 0.980 124 Q CA 1.915 57.567 55.803 -0.252 0.000 0.840 124 Q CB -0.285 28.194 28.738 -0.431 0.000 0.898 124 Q HN 0.569 nan 8.270 nan 0.000 0.424 125 L N 1.311 122.425 121.223 -0.182 0.000 1.990 125 L HA -0.237 4.117 4.340 0.024 0.000 0.213 125 L C 1.853 178.558 176.870 -0.274 0.000 1.072 125 L CA 2.203 56.872 54.840 -0.286 0.000 0.755 125 L CB -0.563 41.353 42.059 -0.239 0.000 0.889 125 L HN 0.289 nan 8.230 nan 0.000 0.432 126 E N -0.930 119.192 120.200 -0.130 0.000 2.085 126 E HA -0.284 4.081 4.350 0.024 0.000 0.194 126 E C 2.155 178.689 176.600 -0.111 0.000 0.994 126 E CA 1.942 58.321 56.400 -0.034 0.000 0.801 126 E CB -0.308 29.462 29.700 0.117 0.000 0.743 126 E HN 0.575 nan 8.360 nan 0.000 0.453 127 M N 0.340 119.874 119.600 -0.110 0.000 2.117 127 M HA -0.138 4.356 4.480 0.024 0.000 0.262 127 M C 2.510 178.482 176.300 -0.546 0.000 1.065 127 M CA 1.456 56.642 55.300 -0.190 0.000 1.114 127 M CB -0.224 32.395 32.600 0.031 0.000 1.361 127 M HN 0.130 nan 8.290 nan 0.000 0.408 128 A N 0.440 122.785 122.820 -0.792 0.000 1.972 128 A HA -0.155 4.179 4.320 0.024 0.000 0.219 128 A C 2.052 179.298 177.584 -0.564 0.000 1.169 128 A CA 1.522 52.927 52.037 -1.052 0.000 0.635 128 A CB -0.549 17.637 19.000 -1.356 0.000 0.810 128 A HN 0.436 nan 8.150 nan 0.000 0.446 129 K N 0.051 120.227 120.400 -0.373 0.000 2.281 129 K HA -0.108 4.226 4.320 0.024 0.000 0.203 129 K C 1.220 177.695 176.600 -0.209 0.000 1.046 129 K CA 1.159 57.320 56.287 -0.210 0.000 0.938 129 K CB -0.183 32.245 32.500 -0.120 0.000 0.737 129 K HN 0.466 nan 8.250 nan 0.000 0.458 130 N N 1.072 119.617 118.700 -0.258 0.000 2.457 130 N HA -0.058 4.697 4.740 0.024 0.000 0.180 130 N C 1.405 176.726 175.510 -0.315 0.000 1.050 130 N CA 1.009 53.920 53.050 -0.232 0.000 0.906 130 N CB 0.309 38.682 38.487 -0.191 0.000 0.968 130 N HN 0.394 nan 8.380 nan 0.000 0.445 131 I N -2.626 117.723 120.570 -0.368 0.000 3.994 131 I HA 0.263 4.448 4.170 0.024 0.000 0.323 131 I C -0.320 175.611 176.117 -0.309 0.000 1.501 131 I CA -0.435 60.608 61.300 -0.429 0.000 1.112 131 I CB 0.531 38.323 38.000 -0.347 0.000 1.254 131 I HN -0.236 nan 8.210 nan 0.000 0.495 132 T N -2.864 111.579 114.554 -0.184 0.000 2.865 132 T HA 0.748 5.112 4.350 0.024 0.000 0.294 132 T C 0.589 175.380 174.700 0.152 0.000 1.119 132 T CA -0.073 62.063 62.100 0.061 0.000 1.007 132 T CB 2.417 71.295 68.868 0.016 0.000 1.225 132 T HN 0.014 nan 8.240 nan 0.000 0.515 133 A N 0.185 123.117 122.820 0.188 0.000 2.132 133 A HA 0.765 5.100 4.320 0.024 0.000 0.213 133 A C 1.060 178.675 177.584 0.053 0.000 1.154 133 A CA 0.536 52.651 52.037 0.129 0.000 0.753 133 A CB -0.546 18.479 19.000 0.043 0.000 0.826 133 A HN 1.641 nan 8.150 nan 0.000 0.469 134 A N -1.459 121.387 122.820 0.043 0.000 2.594 134 A HA 0.712 5.047 4.320 0.024 0.000 0.296 134 A C -0.841 176.797 177.584 0.090 0.000 1.061 134 A CA 0.170 52.241 52.037 0.055 0.000 0.689 134 A CB 0.586 19.558 19.000 -0.046 0.000 1.280 134 A HN 1.610 nan 8.150 nan 0.000 0.406 135 A N 1.732 124.628 122.820 0.127 0.000 2.429 135 A HA 0.765 5.099 4.320 0.024 0.000 0.289 135 A C -1.251 176.441 177.584 0.180 0.000 1.043 135 A CA -0.381 51.777 52.037 0.202 0.000 0.722 135 A CB 1.236 20.305 19.000 0.115 0.000 1.243 135 A HN 0.643 nan 8.150 nan 0.000 0.415 136 E N 0.791 121.092 120.200 0.167 0.000 2.272 136 E HA 0.649 5.013 4.350 0.024 0.000 0.269 136 E C -0.737 175.840 176.600 -0.039 0.000 0.877 136 E CA -0.598 55.832 56.400 0.049 0.000 0.755 136 E CB 2.436 32.147 29.700 0.019 0.000 1.192 136 E HN 0.886 nan 8.360 nan 0.000 0.422 137 A N 3.416 126.152 122.820 -0.140 0.000 2.304 137 A HA 0.677 5.012 4.320 0.024 0.000 0.323 137 A C -0.240 176.981 177.584 -0.605 0.000 1.195 137 A CA -0.621 51.199 52.037 -0.362 0.000 0.826 137 A CB 0.328 19.084 19.000 -0.407 0.000 1.184 137 A HN 0.553 nan 8.150 nan 0.000 0.496 138 I N 2.728 122.970 120.570 -0.546 0.000 2.330 138 I HA 0.260 4.445 4.170 0.024 0.000 0.289 138 I C -0.508 175.346 176.117 -0.438 0.000 1.001 138 I CA -0.136 60.903 61.300 -0.436 0.000 1.193 138 I CB 0.969 38.830 38.000 -0.232 0.000 1.345 138 I HN 0.806 nan 8.210 nan 0.000 0.461 139 Y N 3.011 123.263 120.300 -0.081 0.000 2.462 139 Y HA 0.125 4.685 4.550 0.017 0.000 0.253 139 Y C 1.315 177.178 175.900 -0.063 0.000 1.095 139 Y CA -0.357 57.685 58.100 -0.097 0.000 1.283 139 Y CB 0.325 38.673 38.460 -0.187 0.000 1.138 139 Y HN 0.518 nan 8.280 nan 0.000 0.522 140 T N -3.763 110.822 114.554 0.050 0.000 2.906 140 T HA 0.367 4.732 4.350 0.024 0.000 0.295 140 T C -2.472 172.215 174.700 -0.022 0.000 1.061 140 T CA -2.397 59.716 62.100 0.022 0.000 1.000 140 T CB 2.685 71.567 68.868 0.024 0.000 1.103 140 T HN -0.356 nan 8.240 nan 0.000 0.486 141 P HA 0.002 nan 4.420 nan 0.000 0.217 141 P C 1.076 178.334 177.300 -0.070 0.000 1.150 141 P CA 0.957 64.031 63.100 -0.042 0.000 0.832 141 P CB 0.081 31.769 31.700 -0.019 0.000 0.787 142 E N -0.053 120.116 120.200 -0.052 0.000 2.209 142 E HA -0.179 4.185 4.350 0.024 0.000 0.196 142 E C 1.771 178.317 176.600 -0.090 0.000 0.993 142 E CA 1.055 57.417 56.400 -0.063 0.000 0.819 142 E CB -0.663 29.014 29.700 -0.038 0.000 0.745 142 E HN 0.457 nan 8.360 nan 0.000 0.477 143 E N -0.183 119.965 120.200 -0.088 0.000 2.371 143 E HA 0.028 4.392 4.350 0.024 0.000 0.194 143 E C 1.922 178.432 176.600 -0.150 0.000 1.012 143 E CA 0.456 56.794 56.400 -0.102 0.000 0.860 143 E CB 0.049 29.698 29.700 -0.084 0.000 0.811 143 E HN 0.268 nan 8.360 nan 0.000 0.502 144 A N 2.219 124.930 122.820 -0.182 0.000 1.883 144 A HA -0.121 4.213 4.320 0.024 0.000 0.217 144 A C -0.327 177.044 177.584 -0.355 0.000 1.186 144 A CA 1.219 53.116 52.037 -0.233 0.000 0.624 144 A CB -1.370 17.498 19.000 -0.220 0.000 0.822 144 A HN 0.124 nan 8.150 nan 0.000 0.444 145 P HA -0.123 nan 4.420 nan 0.000 0.215 145 P C 1.801 178.938 177.300 -0.271 0.000 1.157 145 P CA 2.057 64.692 63.100 -0.776 0.000 0.868 145 P CB -0.148 31.153 31.700 -0.664 0.000 0.788 146 A N -0.359 122.362 122.820 -0.164 0.000 1.902 146 A HA -0.215 4.119 4.320 0.024 0.000 0.217 146 A C 2.105 179.675 177.584 -0.024 0.000 1.181 146 A CA 1.835 53.834 52.037 -0.064 0.000 0.623 146 A CB -1.046 17.915 19.000 -0.066 0.000 0.818 146 A HN 0.131 nan 8.150 nan 0.000 0.443 147 K N -0.529 119.834 120.400 -0.060 0.000 2.062 147 K HA 0.076 4.411 4.320 0.024 0.000 0.205 147 K C 1.770 178.377 176.600 0.011 0.000 1.051 147 K CA 1.220 57.497 56.287 -0.016 0.000 0.941 147 K CB -0.281 32.176 32.500 -0.071 0.000 0.719 147 K HN 0.506 nan 8.250 nan 0.000 0.440 148 I N 1.572 122.126 120.570 -0.028 0.000 2.179 148 I HA -0.305 3.879 4.170 0.024 0.000 0.242 148 I C 1.584 177.735 176.117 0.056 0.000 1.088 148 I CA 1.281 62.593 61.300 0.021 0.000 1.357 148 I CB -0.288 37.762 38.000 0.083 0.000 1.051 148 I HN 0.153 nan 8.210 nan 0.000 0.409 149 D N -0.407 120.049 120.400 0.093 0.000 2.144 149 D HA -0.242 4.412 4.640 0.024 0.000 0.199 149 D C 1.990 178.312 176.300 0.037 0.000 0.984 149 D CA 1.500 55.543 54.000 0.071 0.000 0.834 149 D CB -0.449 40.406 40.800 0.093 0.000 0.955 149 D HN 0.460 nan 8.370 nan 0.000 0.465 150 H N 0.616 119.672 119.070 -0.023 0.000 2.357 150 H HA -0.077 4.492 4.556 0.021 0.000 0.301 150 H C 1.947 177.256 175.328 -0.032 0.000 1.082 150 H CA 2.241 58.272 56.048 -0.028 0.000 1.342 150 H CB -0.130 29.616 29.762 -0.026 0.000 1.389 150 H HN 0.061 nan 8.280 nan 0.000 0.511 151 V N -1.173 118.638 119.914 -0.172 0.000 2.548 151 V HA -0.075 4.060 4.120 0.024 0.000 0.249 151 V C 2.351 178.337 176.094 -0.180 0.000 1.055 151 V CA 1.652 63.823 62.300 -0.215 0.000 1.065 151 V CB -0.669 31.114 31.823 -0.066 0.000 0.681 151 V HN 0.438 nan 8.190 nan 0.000 0.462 152 I N 0.095 120.585 120.570 -0.132 0.000 2.202 152 I HA -0.156 4.029 4.170 0.024 0.000 0.242 152 I C 2.854 178.858 176.117 -0.190 0.000 1.091 152 I CA 1.797 63.013 61.300 -0.140 0.000 1.368 152 I CB -0.431 37.498 38.000 -0.118 0.000 1.058 152 I HN 0.246 nan 8.210 nan 0.000 0.410 153 K N 0.291 120.581 120.400 -0.184 0.000 2.063 153 K HA -0.168 4.166 4.320 0.024 0.000 0.208 153 K C 2.105 178.592 176.600 -0.188 0.000 1.048 153 K CA 1.966 58.141 56.287 -0.186 0.000 0.928 153 K CB -0.328 32.099 32.500 -0.122 0.000 0.713 153 K HN 0.323 nan 8.250 nan 0.000 0.442 154 T N 0.964 115.375 114.554 -0.238 0.000 2.777 154 T HA -0.127 4.238 4.350 0.024 0.000 0.266 154 T C 1.973 176.576 174.700 -0.162 0.000 1.040 154 T CA 1.329 63.297 62.100 -0.218 0.000 1.141 154 T CB -0.224 68.448 68.868 -0.326 0.000 0.868 154 T HN 0.333 nan 8.240 nan 0.000 0.444 155 A N 1.305 124.032 122.820 -0.156 0.000 1.908 155 A HA -0.011 4.323 4.320 0.024 0.000 0.218 155 A C 2.295 179.807 177.584 -0.120 0.000 1.181 155 A CA 1.275 53.240 52.037 -0.120 0.000 0.627 155 A CB -0.847 18.095 19.000 -0.097 0.000 0.818 155 A HN 0.481 nan 8.150 nan 0.000 0.445 156 L N -1.309 119.826 121.223 -0.147 0.000 2.093 156 L HA -0.128 4.226 4.340 0.024 0.000 0.208 156 L C 2.794 179.605 176.870 -0.099 0.000 1.085 156 L CA 1.651 56.407 54.840 -0.140 0.000 0.755 156 L CB -0.458 41.440 42.059 -0.268 0.000 0.904 156 L HN 0.485 nan 8.230 nan 0.000 0.435 157 R N 0.404 120.840 120.500 -0.107 0.000 2.062 157 R HA -0.115 4.239 4.340 0.024 0.000 0.229 157 R C 1.976 178.218 176.300 -0.098 0.000 1.128 157 R CA 1.302 57.353 56.100 -0.082 0.000 0.960 157 R CB 0.058 30.316 30.300 -0.071 0.000 0.855 157 R HN 0.348 nan 8.270 nan 0.000 0.432 158 E N 0.784 120.918 120.200 -0.110 0.000 2.385 158 E HA -0.031 4.333 4.350 0.024 0.000 0.194 158 E C -0.196 176.314 176.600 -0.150 0.000 1.013 158 E CA 0.102 56.426 56.400 -0.126 0.000 0.866 158 E CB 0.342 29.968 29.700 -0.124 0.000 0.832 158 E HN 0.166 nan 8.360 nan 0.000 0.500 159 K N 1.261 121.581 120.400 -0.133 0.000 3.244 159 K HA -0.124 4.211 4.320 0.024 0.000 0.270 159 K C -0.389 176.097 176.600 -0.190 0.000 1.016 159 K CA 0.757 56.965 56.287 -0.132 0.000 0.754 159 K CB -1.179 31.248 32.500 -0.120 0.000 1.326 159 K HN 0.099 nan 8.250 nan 0.000 0.465 160 K N -0.483 119.799 120.400 -0.196 0.000 2.512 160 K HA 0.515 4.850 4.320 0.024 0.000 0.263 160 K C -2.572 173.957 176.600 -0.118 0.000 0.966 160 K CA -1.904 54.221 56.287 -0.269 0.000 0.851 160 K CB 2.319 34.575 32.500 -0.408 0.000 1.395 160 K HN -0.124 nan 8.250 nan 0.000 0.440 161 P HA 0.263 nan 4.420 nan 0.000 0.276 161 P C -0.399 176.925 177.300 0.040 0.000 1.252 161 P CA -0.453 62.654 63.100 0.011 0.000 0.802 161 P CB 0.887 32.608 31.700 0.034 0.000 1.035 162 V N -2.079 117.861 119.914 0.043 0.000 3.160 162 V HA 0.636 4.770 4.120 0.024 0.000 0.310 162 V C -1.529 174.641 176.094 0.127 0.000 1.181 162 V CA -1.106 61.230 62.300 0.060 0.000 1.047 162 V CB 2.024 33.846 31.823 -0.003 0.000 1.068 162 V HN 0.584 nan 8.190 nan 0.000 0.441 163 Y N 1.253 121.548 120.300 -0.008 0.000 2.425 163 Y HA 0.846 5.422 4.550 0.043 0.000 0.344 163 Y C -1.377 174.525 175.900 0.003 0.000 0.969 163 Y CA -0.936 57.173 58.100 0.014 0.000 1.052 163 Y CB 1.901 40.370 38.460 0.014 0.000 1.215 163 Y HN 0.838 nan 8.280 nan 0.000 0.451 164 L N 5.976 126.838 121.223 -0.602 0.000 2.381 164 L HA 0.528 4.882 4.340 0.024 0.000 0.268 164 L C -1.278 175.096 176.870 -0.828 0.000 0.997 164 L CA -0.862 53.643 54.840 -0.557 0.000 0.818 164 L CB 2.433 44.331 42.059 -0.269 0.000 1.310 164 L HN 0.764 nan 8.230 nan 0.000 0.416 165 E N 3.243 123.109 120.200 -0.558 0.000 2.266 165 E HA 0.707 5.071 4.350 0.024 0.000 0.268 165 E C -1.422 175.058 176.600 -0.199 0.000 0.879 165 E CA -0.788 55.419 56.400 -0.320 0.000 0.762 165 E CB 2.766 32.400 29.700 -0.110 0.000 1.199 165 E HN 0.438 nan 8.360 nan 0.000 0.422 166 I N 2.022 122.521 120.570 -0.118 0.000 2.447 166 I HA 0.397 4.582 4.170 0.024 0.000 0.287 166 I C -0.075 176.029 176.117 -0.022 0.000 1.023 166 I CA -1.135 60.114 61.300 -0.085 0.000 1.083 166 I CB 1.946 39.907 38.000 -0.065 0.000 1.245 166 I HN 0.795 nan 8.210 nan 0.000 0.434 167 A N 4.403 127.229 122.820 0.010 0.000 2.580 167 A HA -0.043 4.292 4.320 0.024 0.000 0.244 167 A C 1.491 179.114 177.584 0.064 0.000 1.045 167 A CA 0.154 52.234 52.037 0.071 0.000 0.761 167 A CB -0.098 18.983 19.000 0.135 0.000 0.962 167 A HN 1.137 nan 8.150 nan 0.000 0.512 168 C N 2.030 121.386 119.300 0.093 0.000 2.419 168 C HA -0.085 4.389 4.460 0.024 0.000 0.283 168 C C 1.619 176.655 174.990 0.077 0.000 1.373 168 C CA 0.833 59.918 59.018 0.112 0.000 1.781 168 C CB -1.357 26.499 27.740 0.194 0.000 1.886 168 C HN 0.900 nan 8.230 nan 0.000 0.520 169 N N 2.142 120.884 118.700 0.070 0.000 2.270 169 N HA 0.049 4.804 4.740 0.024 0.000 0.198 169 N C 1.064 176.599 175.510 0.042 0.000 1.117 169 N CA 0.712 53.793 53.050 0.052 0.000 0.845 169 N CB -0.677 37.842 38.487 0.052 0.000 0.980 169 N HN 0.846 nan 8.380 nan 0.000 0.486 170 I N -4.675 115.919 120.570 0.040 0.000 4.082 170 I HA 0.486 4.670 4.170 0.024 0.000 0.337 170 I C 1.624 177.754 176.117 0.021 0.000 1.352 170 I CA -0.376 60.941 61.300 0.027 0.000 1.097 170 I CB 0.269 38.282 38.000 0.022 0.000 1.048 170 I HN -0.060 nan 8.210 nan 0.000 0.393 171 A N 1.218 124.053 122.820 0.026 0.000 2.024 171 A HA -0.098 4.237 4.320 0.024 0.000 0.220 171 A C 2.249 179.850 177.584 0.029 0.000 1.164 171 A CA 2.084 54.136 52.037 0.025 0.000 0.643 171 A CB -0.552 18.467 19.000 0.031 0.000 0.806 171 A HN 0.492 nan 8.150 nan 0.000 0.451 172 S N -0.821 114.895 115.700 0.027 0.000 2.540 172 S HA 0.325 4.809 4.470 0.024 0.000 0.218 172 S C 0.543 175.158 174.600 0.025 0.000 0.977 172 S CA -0.265 57.950 58.200 0.025 0.000 0.918 172 S CB -0.162 63.050 63.200 0.020 0.000 0.806 172 S HN 0.516 nan 8.310 nan 0.000 0.496 173 M N 2.630 122.245 119.600 0.024 0.000 2.250 173 M HA 0.294 4.789 4.480 0.024 0.000 0.344 173 M C -2.606 173.711 176.300 0.029 0.000 1.150 173 M CA -1.971 53.342 55.300 0.022 0.000 1.147 173 M CB 0.182 32.792 32.600 0.017 0.000 1.498 173 M HN -0.191 nan 8.290 nan 0.000 0.461 174 P HA 0.168 nan 4.420 nan 0.000 0.271 174 P C -1.071 176.251 177.300 0.037 0.000 1.218 174 P CA -0.507 62.620 63.100 0.045 0.000 0.780 174 P CB 0.479 32.202 31.700 0.037 0.000 0.901 175 C N -0.244 119.093 119.300 0.061 0.000 3.336 175 C HA 0.886 5.361 4.460 0.024 0.000 0.339 175 C C 0.225 175.257 174.990 0.071 0.000 1.468 175 C CA -1.119 57.910 59.018 0.019 0.000 1.287 175 C CB 0.958 28.659 27.740 -0.065 0.000 1.682 175 C HN 0.662 nan 8.230 nan 0.000 0.451 176 A N 0.584 123.418 122.820 0.024 0.000 2.475 176 A HA 0.569 4.904 4.320 0.024 0.000 0.239 176 A C 0.554 178.242 177.584 0.173 0.000 1.087 176 A CA 0.551 52.632 52.037 0.074 0.000 0.779 176 A CB -0.533 18.486 19.000 0.031 0.000 1.036 176 A HN 2.401 nan 8.150 nan 0.000 0.506 177 A N 0.984 123.878 122.820 0.124 0.000 2.295 177 A HA 0.713 5.047 4.320 0.024 0.000 0.318 177 A C -2.498 175.006 177.584 -0.133 0.000 1.134 177 A CA -1.655 50.322 52.037 -0.099 0.000 0.827 177 A CB -0.100 18.904 19.000 0.006 0.000 1.136 177 A HN 0.639 nan 8.150 nan 0.000 0.493 178 P HA 0.333 nan 4.420 nan 0.000 0.276 178 P C 0.530 177.676 177.300 -0.256 0.000 1.230 178 P CA 0.147 62.938 63.100 -0.517 0.000 0.776 178 P CB 0.944 32.084 31.700 -0.933 0.000 0.888 179 G N 3.566 112.290 108.800 -0.126 0.000 2.489 179 G HA2 0.339 4.314 3.960 0.024 0.000 0.271 179 G HA3 0.339 4.314 3.960 0.024 0.000 0.271 179 G C -2.325 172.530 174.900 -0.075 0.000 1.427 179 G CA -1.093 43.965 45.100 -0.071 0.000 1.057 179 G HN 0.341 nan 8.290 nan 0.000 0.532 180 P HA 0.231 nan 4.420 nan 0.000 0.265 180 P C 0.617 177.917 177.300 -0.000 0.000 1.193 180 P CA 0.411 63.501 63.100 -0.016 0.000 0.765 180 P CB 1.062 32.763 31.700 0.001 0.000 0.823 181 A N 3.051 125.883 122.820 0.019 0.000 2.032 181 A HA -0.208 4.127 4.320 0.024 0.000 0.221 181 A C 2.091 179.782 177.584 0.178 0.000 1.165 181 A CA 2.182 54.269 52.037 0.084 0.000 0.645 181 A CB -1.552 17.515 19.000 0.110 0.000 0.807 181 A HN 0.619 nan 8.150 nan 0.000 0.453 182 S N 0.060 115.835 115.700 0.125 0.000 2.419 182 S HA 0.039 4.523 4.470 0.024 0.000 0.233 182 S C 1.962 176.654 174.600 0.154 0.000 1.016 182 S CA 1.126 59.419 58.200 0.155 0.000 0.974 182 S CB -0.622 62.616 63.200 0.064 0.000 0.786 182 S HN 0.915 nan 8.310 nan 0.000 0.492 183 A N 1.913 124.783 122.820 0.084 0.000 2.019 183 A HA 0.149 4.483 4.320 0.024 0.000 0.219 183 A C 2.190 179.786 177.584 0.020 0.000 1.164 183 A CA 1.201 53.265 52.037 0.045 0.000 0.644 183 A CB -0.746 18.265 19.000 0.018 0.000 0.805 183 A HN 0.575 nan 8.150 nan 0.000 0.449 184 L N -2.488 118.730 121.223 -0.009 0.000 2.313 184 L HA -0.009 4.345 4.340 0.024 0.000 0.214 184 L C 1.702 178.374 176.870 -0.330 0.000 1.119 184 L CA 0.712 55.430 54.840 -0.203 0.000 0.809 184 L CB -0.283 41.568 42.059 -0.347 0.000 0.933 184 L HN 0.393 nan 8.230 nan 0.000 0.449 185 F N -1.104 118.836 119.950 -0.018 0.000 2.749 185 F HA 0.113 4.656 4.527 0.026 0.000 0.300 185 F C 1.088 176.884 175.800 -0.007 0.000 1.103 185 F CA -0.686 57.305 58.000 -0.015 0.000 1.342 185 F CB -0.261 38.729 39.000 -0.017 0.000 1.098 185 F HN -0.017 nan 8.300 nan 0.000 0.586 186 N N 1.829 120.607 118.700 0.130 0.000 2.411 186 N HA -0.002 4.752 4.740 0.024 0.000 0.265 186 N C -0.887 174.661 175.510 0.063 0.000 1.266 186 N CA 0.592 53.693 53.050 0.085 0.000 0.889 186 N CB 0.105 38.626 38.487 0.056 0.000 1.069 186 N HN 0.070 nan 8.380 nan 0.000 0.476 187 D N 0.568 121.012 120.400 0.074 0.000 2.552 187 D HA 0.180 4.835 4.640 0.024 0.000 0.239 187 D C -0.967 175.386 176.300 0.088 0.000 1.139 187 D CA -0.628 53.420 54.000 0.079 0.000 0.914 187 D CB 1.067 41.926 40.800 0.099 0.000 1.461 187 D HN 0.605 nan 8.370 nan 0.000 0.462 188 E N 0.568 120.831 120.200 0.106 0.000 2.392 188 E HA 0.508 4.873 4.350 0.024 0.000 0.259 188 E C -0.740 175.887 176.600 0.045 0.000 1.108 188 E CA -0.815 55.630 56.400 0.076 0.000 0.916 188 E CB 1.038 30.783 29.700 0.076 0.000 0.989 188 E HN 0.339 nan 8.360 nan 0.000 0.432 189 A N 2.377 125.154 122.820 -0.073 0.000 2.256 189 A HA 0.387 4.721 4.320 0.024 0.000 0.318 189 A C -0.113 177.236 177.584 -0.391 0.000 1.103 189 A CA -0.740 51.167 52.037 -0.217 0.000 0.860 189 A CB 0.986 19.916 19.000 -0.117 0.000 1.182 189 A HN 0.647 nan 8.150 nan 0.000 0.501 190 S N 0.387 115.774 115.700 -0.523 0.000 2.558 190 S HA 0.119 4.603 4.470 0.024 0.000 0.288 190 S C 0.003 174.506 174.600 -0.162 0.000 1.318 190 S CA 0.071 58.045 58.200 -0.377 0.000 1.056 190 S CB 0.249 63.303 63.200 -0.243 0.000 0.853 190 S HN 0.731 nan 8.310 nan 0.000 0.505 191 D N 1.018 121.366 120.400 -0.085 0.000 2.401 191 D HA 0.084 4.739 4.640 0.024 0.000 0.254 191 D C 0.998 177.279 176.300 -0.032 0.000 1.192 191 D CA -0.018 53.962 54.000 -0.035 0.000 0.885 191 D CB 0.694 41.497 40.800 0.005 0.000 1.147 191 D HN 0.500 nan 8.370 nan 0.000 0.478 192 E N 3.544 123.726 120.200 -0.030 0.000 2.038 192 E HA -0.190 4.175 4.350 0.024 0.000 0.195 192 E C 1.847 178.435 176.600 -0.021 0.000 1.000 192 E CA 1.774 58.156 56.400 -0.029 0.000 0.803 192 E CB -0.328 29.357 29.700 -0.024 0.000 0.750 192 E HN 0.594 nan 8.360 nan 0.000 0.448 193 A N -0.242 122.575 122.820 -0.004 0.000 1.940 193 A HA -0.197 4.137 4.320 0.024 0.000 0.219 193 A C 2.422 180.011 177.584 0.008 0.000 1.176 193 A CA 2.084 54.126 52.037 0.008 0.000 0.631 193 A CB -0.710 18.306 19.000 0.026 0.000 0.814 193 A HN 0.287 nan 8.150 nan 0.000 0.446 194 S N -0.668 115.047 115.700 0.025 0.000 2.371 194 S HA -0.088 4.396 4.470 0.024 0.000 0.224 194 S C 1.852 176.384 174.600 -0.114 0.000 1.029 194 S CA 1.195 59.417 58.200 0.037 0.000 0.978 194 S CB -0.418 62.855 63.200 0.120 0.000 0.833 194 S HN 0.507 nan 8.310 nan 0.000 0.466 195 L N 3.094 124.276 121.223 -0.068 0.000 1.989 195 L HA -0.112 4.243 4.340 0.024 0.000 0.211 195 L C 1.688 178.498 176.870 -0.101 0.000 1.071 195 L CA 1.832 56.631 54.840 -0.068 0.000 0.749 195 L CB -1.039 40.997 42.059 -0.039 0.000 0.890 195 L HN 0.155 nan 8.230 nan 0.000 0.431 196 N N 0.074 118.721 118.700 -0.088 0.000 2.120 196 N HA -0.115 4.640 4.740 0.024 0.000 0.188 196 N C 1.799 177.231 175.510 -0.130 0.000 1.024 196 N CA 1.574 54.573 53.050 -0.085 0.000 0.852 196 N CB -0.430 38.027 38.487 -0.049 0.000 1.003 196 N HN 0.550 nan 8.380 nan 0.000 0.424 197 A N 0.879 123.589 122.820 -0.183 0.000 1.930 197 A HA 0.093 4.427 4.320 0.024 0.000 0.217 197 A C 2.340 179.572 177.584 -0.586 0.000 1.175 197 A CA 1.680 53.569 52.037 -0.246 0.000 0.627 197 A CB -0.604 18.347 19.000 -0.081 0.000 0.815 197 A HN 0.308 nan 8.150 nan 0.000 0.443 198 A N -0.605 121.671 122.820 -0.908 0.000 1.930 198 A HA 0.058 4.393 4.320 0.024 0.000 0.217 198 A C 2.205 179.675 177.584 -0.191 0.000 1.175 198 A CA 1.648 53.150 52.037 -0.892 0.000 0.627 198 A CB -0.755 17.842 19.000 -0.671 0.000 0.815 198 A HN 0.333 nan 8.150 nan 0.000 0.443 199 V N 0.267 120.118 119.914 -0.104 0.000 2.307 199 V HA -0.183 3.951 4.120 0.024 0.000 0.245 199 V C 2.560 178.630 176.094 -0.041 0.000 1.045 199 V CA 2.032 64.294 62.300 -0.064 0.000 1.024 199 V CB -0.671 31.084 31.823 -0.113 0.000 0.651 199 V HN 0.502 nan 8.190 nan 0.000 0.449 200 E N -0.100 120.067 120.200 -0.054 0.000 2.077 200 E HA -0.196 4.168 4.350 0.024 0.000 0.193 200 E C 2.256 178.876 176.600 0.034 0.000 0.989 200 E CA 1.001 57.396 56.400 -0.008 0.000 0.800 200 E CB -0.286 29.410 29.700 -0.007 0.000 0.746 200 E HN 0.580 nan 8.360 nan 0.000 0.452 201 E N 0.197 120.415 120.200 0.030 0.000 2.150 201 E HA -0.087 4.278 4.350 0.024 0.000 0.193 201 E C 2.069 178.759 176.600 0.150 0.000 0.985 201 E CA 0.964 57.432 56.400 0.113 0.000 0.814 201 E CB -0.292 29.517 29.700 0.182 0.000 0.752 201 E HN 0.250 nan 8.360 nan 0.000 0.466 202 T N 1.868 116.494 114.554 0.120 0.000 2.777 202 T HA -0.068 4.297 4.350 0.024 0.000 0.266 202 T C 2.163 176.976 174.700 0.187 0.000 1.040 202 T CA 0.700 62.901 62.100 0.168 0.000 1.141 202 T CB -0.170 68.791 68.868 0.154 0.000 0.868 202 T HN 0.089 nan 8.240 nan 0.000 0.444 203 L N 0.379 121.672 121.223 0.117 0.000 2.017 203 L HA -0.101 4.254 4.340 0.024 0.000 0.208 203 L C 2.669 179.605 176.870 0.110 0.000 1.073 203 L CA 1.432 56.332 54.840 0.099 0.000 0.745 203 L CB -0.480 41.613 42.059 0.055 0.000 0.894 203 L HN 0.179 nan 8.230 nan 0.000 0.432 204 K N -0.493 119.977 120.400 0.117 0.000 2.063 204 K HA -0.230 4.105 4.320 0.024 0.000 0.208 204 K C 2.013 178.698 176.600 0.141 0.000 1.048 204 K CA 1.693 58.048 56.287 0.112 0.000 0.928 204 K CB -0.296 32.274 32.500 0.117 0.000 0.713 204 K HN 0.074 nan 8.250 nan 0.000 0.442 205 F N 1.556 121.538 119.950 0.053 0.000 2.171 205 F HA -0.100 4.442 4.527 0.025 0.000 0.300 205 F C 1.670 177.498 175.800 0.047 0.000 1.090 205 F CA 1.226 59.258 58.000 0.054 0.000 1.293 205 F CB 0.030 39.071 39.000 0.068 0.000 1.013 205 F HN -0.019 nan 8.300 nan 0.000 0.486 206 I N -2.215 118.425 120.570 0.117 0.000 3.883 206 I HA 0.340 4.525 4.170 0.024 0.000 0.326 206 I C 1.928 178.037 176.117 -0.013 0.000 1.283 206 I CA 0.632 61.948 61.300 0.026 0.000 1.161 206 I CB -0.839 37.242 38.000 0.136 0.000 1.012 206 I HN 0.038 nan 8.210 nan 0.000 0.421 207 A N 2.612 125.426 122.820 -0.010 0.000 1.873 207 A HA -0.177 4.158 4.320 0.024 0.000 0.218 207 A C 1.560 179.125 177.584 -0.030 0.000 1.193 207 A CA 1.819 53.851 52.037 -0.008 0.000 0.629 207 A CB -0.647 18.353 19.000 -0.000 0.000 0.826 207 A HN 0.674 nan 8.150 nan 0.000 0.447 208 N N -0.086 118.575 118.700 -0.065 0.000 2.610 208 N HA 0.222 4.977 4.740 0.024 0.000 0.309 208 N C -1.020 174.432 175.510 -0.097 0.000 1.536 208 N CA -0.028 52.983 53.050 -0.066 0.000 0.954 208 N CB 0.679 39.132 38.487 -0.056 0.000 1.310 208 N HN 0.372 nan 8.380 nan 0.000 0.502 209 R N 0.410 120.851 120.500 -0.099 0.000 2.521 209 R HA 0.117 4.472 4.340 0.024 0.000 0.295 209 R C -0.159 176.114 176.300 -0.045 0.000 1.183 209 R CA -0.418 55.622 56.100 -0.099 0.000 0.957 209 R CB 1.488 31.686 30.300 -0.170 0.000 1.171 209 R HN 0.016 nan 8.270 nan 0.000 0.494 210 D N 2.026 122.407 120.400 -0.030 0.000 2.213 210 D HA -0.034 4.621 4.640 0.024 0.000 0.205 210 D C -0.242 176.058 176.300 0.000 0.000 0.961 210 D CA 0.896 54.891 54.000 -0.008 0.000 0.853 210 D CB 0.595 41.395 40.800 0.000 0.000 0.967 210 D HN 0.202 nan 8.370 nan 0.000 0.496 211 K N 0.806 121.199 120.400 -0.012 0.000 2.150 211 K HA 0.252 4.587 4.320 0.024 0.000 0.261 211 K C -0.914 175.685 176.600 -0.001 0.000 1.127 211 K CA -0.291 55.990 56.287 -0.011 0.000 0.989 211 K CB 1.660 34.124 32.500 -0.060 0.000 1.475 211 K HN -0.058 nan 8.250 nan 0.000 0.391 212 V N 2.399 122.324 119.914 0.019 0.000 2.370 212 V HA 0.401 4.535 4.120 0.024 0.000 0.279 212 V C 0.138 176.253 176.094 0.034 0.000 1.029 212 V CA -0.799 61.527 62.300 0.044 0.000 0.870 212 V CB 1.228 33.088 31.823 0.063 0.000 0.984 212 V HN 0.735 nan 8.190 nan 0.000 0.451 213 A N 4.868 127.715 122.820 0.046 0.000 2.337 213 A HA 0.851 5.185 4.320 0.024 0.000 0.329 213 A C -0.699 176.915 177.584 0.050 0.000 1.146 213 A CA -0.568 51.484 52.037 0.026 0.000 0.800 213 A CB 1.586 20.596 19.000 0.016 0.000 1.220 213 A HN 0.620 nan 8.150 nan 0.000 0.472 214 V N 2.656 122.577 119.914 0.013 0.000 2.398 214 V HA 0.385 4.519 4.120 0.024 0.000 0.286 214 V C -0.696 175.382 176.094 -0.026 0.000 1.026 214 V CA -0.383 61.938 62.300 0.033 0.000 0.868 214 V CB 1.176 33.017 31.823 0.030 0.000 0.982 214 V HN 0.744 nan 8.190 nan 0.000 0.443 215 L N 6.911 128.143 121.223 0.014 0.000 2.294 215 L HA 0.568 4.922 4.340 0.024 0.000 0.283 215 L C -0.307 176.551 176.870 -0.020 0.000 1.015 215 L CA 0.080 54.919 54.840 -0.002 0.000 0.831 215 L CB 1.555 43.651 42.059 0.061 0.000 1.217 215 L HN 0.439 nan 8.230 nan 0.000 0.420 216 V N 5.352 125.232 119.914 -0.056 0.000 2.461 216 V HA 0.628 4.762 4.120 0.024 0.000 0.275 216 V C 0.952 177.018 176.094 -0.046 0.000 1.047 216 V CA 0.037 62.321 62.300 -0.027 0.000 0.955 216 V CB 0.782 32.600 31.823 -0.009 0.000 0.988 216 V HN 0.894 nan 8.190 nan 0.000 0.471 217 G N 2.573 111.353 108.800 -0.033 0.000 2.491 217 G HA2 0.441 4.416 3.960 0.024 0.000 0.327 217 G HA3 0.441 4.416 3.960 0.024 0.000 0.327 217 G C 0.769 175.672 174.900 0.005 0.000 1.189 217 G CA 0.154 45.194 45.100 -0.099 0.000 0.956 217 G HN 0.800 nan 8.290 nan 0.000 0.491 218 S N -1.256 114.401 115.700 -0.072 0.000 2.603 218 S HA 0.067 4.551 4.470 0.024 0.000 0.220 218 S C 1.209 175.914 174.600 0.174 0.000 0.967 218 S CA 0.263 58.480 58.200 0.030 0.000 0.920 218 S CB 0.055 63.164 63.200 -0.153 0.000 0.773 218 S HN 0.506 nan 8.310 nan 0.000 0.529 219 K N 0.188 120.625 120.400 0.062 0.000 2.372 219 K HA 0.350 4.685 4.320 0.024 0.000 0.200 219 K C 1.114 177.705 176.600 -0.014 0.000 1.022 219 K CA -0.194 56.101 56.287 0.014 0.000 1.125 219 K CB 0.091 32.563 32.500 -0.047 0.000 0.855 219 K HN 0.169 nan 8.250 nan 0.000 0.524 220 L N 1.567 122.812 121.223 0.037 0.000 2.046 220 L HA -0.125 4.229 4.340 0.024 0.000 0.208 220 L C 2.324 179.078 176.870 -0.193 0.000 1.077 220 L CA 1.754 56.574 54.840 -0.034 0.000 0.747 220 L CB -0.234 41.865 42.059 0.067 0.000 0.896 220 L HN 0.106 nan 8.230 nan 0.000 0.432 221 R N -0.724 119.508 120.500 -0.448 0.000 2.081 221 R HA -0.131 4.224 4.340 0.024 0.000 0.235 221 R C 2.138 178.296 176.300 -0.237 0.000 1.131 221 R CA 1.309 57.119 56.100 -0.483 0.000 0.960 221 R CB -0.372 29.455 30.300 -0.788 0.000 0.856 221 R HN 0.440 nan 8.270 nan 0.000 0.436 222 A N 0.440 123.160 122.820 -0.168 0.000 2.019 222 A HA -0.049 4.285 4.320 0.024 0.000 0.219 222 A C 2.137 179.656 177.584 -0.107 0.000 1.164 222 A CA 1.551 53.519 52.037 -0.115 0.000 0.644 222 A CB -0.493 18.448 19.000 -0.097 0.000 0.805 222 A HN 0.524 nan 8.150 nan 0.000 0.449 223 A N -1.597 121.160 122.820 -0.105 0.000 2.251 223 A HA 0.417 4.752 4.320 0.024 0.000 0.209 223 A C 1.739 179.282 177.584 -0.069 0.000 1.187 223 A CA 1.077 53.062 52.037 -0.087 0.000 0.823 223 A CB -0.964 17.995 19.000 -0.069 0.000 0.846 223 A HN 1.836 nan 8.150 nan 0.000 0.486 224 G N -1.654 107.094 108.800 -0.087 0.000 2.249 224 G HA2 -0.022 3.952 3.960 0.024 0.000 0.273 224 G HA3 -0.022 3.952 3.960 0.024 0.000 0.273 224 G C 0.641 175.510 174.900 -0.052 0.000 1.036 224 G CA 0.450 45.506 45.100 -0.073 0.000 0.824 224 G HN 1.562 nan 8.290 nan 0.000 0.504 225 A N -1.103 121.685 122.820 -0.053 0.000 2.564 225 A HA 0.605 4.940 4.320 0.024 0.000 0.279 225 A C 1.442 179.028 177.584 0.003 0.000 1.232 225 A CA 1.040 53.071 52.037 -0.012 0.000 0.950 225 A CB 0.171 19.176 19.000 0.008 0.000 1.138 225 A HN 0.487 nan 8.150 nan 0.000 0.526 226 E N 0.254 120.432 120.200 -0.037 0.000 2.058 226 E HA -0.235 4.130 4.350 0.024 0.000 0.194 226 E C 1.792 178.397 176.600 0.009 0.000 0.997 226 E CA 1.507 57.898 56.400 -0.015 0.000 0.801 226 E CB 0.006 29.655 29.700 -0.086 0.000 0.746 226 E HN 0.790 nan 8.360 nan 0.000 0.450 227 E N 0.358 120.550 120.200 -0.015 0.000 2.072 227 E HA -0.164 4.200 4.350 0.024 0.000 0.191 227 E C 2.025 178.641 176.600 0.026 0.000 0.985 227 E CA 0.879 57.271 56.400 -0.013 0.000 0.801 227 E CB -0.050 29.635 29.700 -0.024 0.000 0.750 227 E HN 0.214 nan 8.360 nan 0.000 0.452 228 A N 1.030 123.874 122.820 0.040 0.000 2.019 228 A HA -0.048 4.286 4.320 0.024 0.000 0.219 228 A C 2.303 179.967 177.584 0.133 0.000 1.164 228 A CA 1.516 53.593 52.037 0.066 0.000 0.644 228 A CB -0.526 18.502 19.000 0.047 0.000 0.805 228 A HN 0.397 nan 8.150 nan 0.000 0.449 229 A N -0.506 122.411 122.820 0.162 0.000 1.930 229 A HA 0.041 4.376 4.320 0.024 0.000 0.217 229 A C 2.183 179.990 177.584 0.373 0.000 1.175 229 A CA 1.647 53.854 52.037 0.284 0.000 0.627 229 A CB -0.749 18.431 19.000 0.301 0.000 0.815 229 A HN 0.352 nan 8.150 nan 0.000 0.443 230 V N 0.169 120.223 119.914 0.234 0.000 2.307 230 V HA -0.265 3.870 4.120 0.024 0.000 0.245 230 V C 2.438 178.611 176.094 0.132 0.000 1.045 230 V CA 2.267 64.652 62.300 0.142 0.000 1.024 230 V CB -0.674 31.101 31.823 -0.079 0.000 0.651 230 V HN 0.521 nan 8.190 nan 0.000 0.449 231 K N -0.673 119.790 120.400 0.105 0.000 2.063 231 K HA -0.231 4.103 4.320 0.024 0.000 0.208 231 K C 2.113 178.777 176.600 0.107 0.000 1.048 231 K CA 2.113 58.450 56.287 0.085 0.000 0.928 231 K CB -0.376 32.166 32.500 0.070 0.000 0.713 231 K HN 0.480 nan 8.250 nan 0.000 0.442 232 F N 1.325 121.287 119.950 0.021 0.000 2.146 232 F HA -0.110 4.432 4.527 0.025 0.000 0.298 232 F C 2.063 177.856 175.800 -0.011 0.000 1.096 232 F CA 1.221 59.215 58.000 -0.010 0.000 1.275 232 F CB -0.366 38.622 39.000 -0.020 0.000 1.008 232 F HN -0.049 nan 8.300 nan 0.000 0.480 233 A N 0.055 122.804 122.820 -0.118 0.000 1.930 233 A HA -0.147 4.188 4.320 0.024 0.000 0.217 233 A C 1.957 179.298 177.584 -0.404 0.000 1.175 233 A CA 1.833 53.712 52.037 -0.263 0.000 0.627 233 A CB -0.944 18.171 19.000 0.192 0.000 0.815 233 A HN 0.429 nan 8.150 nan 0.000 0.443 234 D N 0.170 120.480 120.400 -0.150 0.000 2.117 234 D HA -0.030 4.625 4.640 0.024 0.000 0.198 234 D C 2.230 178.428 176.300 -0.169 0.000 0.982 234 D CA 1.473 55.424 54.000 -0.082 0.000 0.828 234 D CB -0.409 40.437 40.800 0.076 0.000 0.967 234 D HN 0.415 nan 8.370 nan 0.000 0.464 235 A N 0.689 123.398 122.820 -0.185 0.000 1.873 235 A HA -0.120 4.215 4.320 0.024 0.000 0.215 235 A C 2.183 179.617 177.584 -0.250 0.000 1.186 235 A CA 0.942 52.880 52.037 -0.165 0.000 0.616 235 A CB -0.739 18.195 19.000 -0.109 0.000 0.823 235 A HN 0.232 nan 8.150 nan 0.000 0.442 236 L N -0.463 120.483 121.223 -0.462 0.000 2.046 236 L HA 0.103 4.458 4.340 0.024 0.000 0.208 236 L C 1.718 178.392 176.870 -0.326 0.000 1.077 236 L CA 2.079 56.647 54.840 -0.454 0.000 0.747 236 L CB -0.721 40.880 42.059 -0.762 0.000 0.896 236 L HN 0.790 nan 8.230 nan 0.000 0.432 237 G N -1.263 107.260 108.800 -0.462 0.000 2.198 237 G HA2 -0.223 3.751 3.960 0.024 0.000 0.260 237 G HA3 -0.223 3.751 3.960 0.024 0.000 0.260 237 G C 0.584 175.371 174.900 -0.188 0.000 1.025 237 G CA 0.320 45.197 45.100 -0.372 0.000 0.769 237 G HN 0.867 nan 8.290 nan 0.000 0.507 238 G N -0.959 107.690 108.800 -0.252 0.000 2.557 238 G HA2 0.828 4.803 3.960 0.024 0.000 0.302 238 G HA3 0.828 4.803 3.960 0.024 0.000 0.302 238 G C 0.365 175.246 174.900 -0.032 0.000 1.311 238 G CA 0.120 45.163 45.100 -0.094 0.000 1.030 238 G HN 1.509 nan 8.290 nan 0.000 0.509 239 A N -0.977 121.839 122.820 -0.007 0.000 2.366 239 A HA 0.560 4.895 4.320 0.024 0.000 0.272 239 A C -0.357 177.172 177.584 -0.092 0.000 1.135 239 A CA -0.240 51.775 52.037 -0.036 0.000 0.804 239 A CB 0.668 19.639 19.000 -0.049 0.000 1.064 239 A HN 0.799 nan 8.150 nan 0.000 0.499 240 V N 1.977 121.814 119.914 -0.128 0.000 2.409 240 V HA 0.674 4.808 4.120 0.024 0.000 0.291 240 V C 0.380 176.334 176.094 -0.234 0.000 1.020 240 V CA -0.147 62.016 62.300 -0.228 0.000 0.848 240 V CB 1.103 32.642 31.823 -0.472 0.000 0.990 240 V HN 1.200 nan 8.190 nan 0.000 0.430 241 A N 3.310 126.006 122.820 -0.207 0.000 2.374 241 A HA 0.923 5.258 4.320 0.024 0.000 0.317 241 A C 0.074 177.611 177.584 -0.078 0.000 1.094 241 A CA -0.554 51.368 52.037 -0.191 0.000 0.765 241 A CB 1.684 20.569 19.000 -0.191 0.000 1.268 241 A HN 0.872 nan 8.150 nan 0.000 0.438 242 T N 0.202 114.761 114.554 0.008 0.000 2.867 242 T HA 0.633 4.997 4.350 0.024 0.000 0.282 242 T C 0.303 174.924 174.700 -0.132 0.000 1.000 242 T CA -0.561 61.521 62.100 -0.031 0.000 1.042 242 T CB 0.578 69.462 68.868 0.026 0.000 0.973 242 T HN 0.547 nan 8.240 nan 0.000 0.465 243 M N 2.016 121.504 119.600 -0.186 0.000 2.226 243 M HA 0.343 4.837 4.480 0.024 0.000 0.324 243 M C 1.938 177.954 176.300 -0.474 0.000 1.112 243 M CA -0.571 54.551 55.300 -0.296 0.000 1.176 243 M CB 0.403 32.826 32.600 -0.295 0.000 1.430 243 M HN 0.946 nan 8.290 nan 0.000 0.462 244 A N 1.633 123.971 122.820 -0.804 0.000 1.892 244 A HA -0.157 4.178 4.320 0.024 0.000 0.218 244 A C 2.042 179.090 177.584 -0.894 0.000 1.188 244 A CA 2.382 53.754 52.037 -1.108 0.000 0.631 244 A CB -1.061 16.469 19.000 -2.449 0.000 0.822 244 A HN 0.948 nan 8.150 nan 0.000 0.447 245 A N -1.255 121.057 122.820 -0.847 0.000 2.235 245 A HA 0.470 4.805 4.320 0.024 0.000 0.208 245 A C 1.838 179.075 177.584 -0.579 0.000 1.172 245 A CA 1.206 52.834 52.037 -0.680 0.000 0.786 245 A CB -0.503 18.140 19.000 -0.596 0.000 0.804 245 A HN 1.072 nan 8.150 nan 0.000 0.479 246 A N -0.622 121.848 122.820 -0.582 0.000 2.387 246 A HA 0.342 4.677 4.320 0.024 0.000 0.234 246 A C 0.867 178.056 177.584 -0.658 0.000 1.253 246 A CA -0.143 51.434 52.037 -0.766 0.000 0.894 246 A CB -0.324 18.484 19.000 -0.320 0.000 0.963 246 A HN 0.284 nan 8.150 nan 0.000 0.508 247 K N 1.398 121.539 120.400 -0.431 0.000 2.473 247 K HA 0.137 4.471 4.320 0.024 0.000 0.277 247 K C 0.996 177.441 176.600 -0.259 0.000 1.052 247 K CA 1.235 57.377 56.287 -0.242 0.000 1.114 247 K CB -0.173 32.267 32.500 -0.101 0.000 0.869 247 K HN 1.056 nan 8.250 nan 0.000 0.481 248 S N 2.703 118.337 115.700 -0.111 0.000 2.659 248 S HA -0.140 4.345 4.470 0.024 0.000 0.264 248 S C 0.622 175.358 174.600 0.227 0.000 1.310 248 S CA 0.664 58.867 58.200 0.006 0.000 1.262 248 S CB -2.156 61.043 63.200 -0.002 0.000 1.548 248 S HN 0.500 nan 8.310 nan 0.000 0.657 249 F N 1.262 121.192 119.950 -0.034 0.000 2.811 249 F HA 0.625 5.166 4.527 0.023 0.000 0.301 249 F C 0.673 176.518 175.800 0.075 0.000 1.151 249 F CA -0.633 57.368 58.000 0.001 0.000 1.412 249 F CB -0.342 38.659 39.000 0.002 0.000 1.113 249 F HN 0.499 nan 8.300 nan 0.000 0.579 250 F N 0.452 120.416 119.950 0.023 0.000 2.608 250 F HA 0.519 5.060 4.527 0.024 0.000 0.309 250 F C -2.766 172.899 175.800 -0.224 0.000 1.103 250 F CA -2.889 55.062 58.000 -0.081 0.000 0.954 250 F CB 1.575 40.529 39.000 -0.078 0.000 1.267 250 F HN -0.316 nan 8.300 nan 0.000 0.444 251 P HA 0.162 nan 4.420 nan 0.000 0.266 251 P C -0.323 176.738 177.300 -0.399 0.000 1.215 251 P CA 0.273 63.090 63.100 -0.471 0.000 0.763 251 P CB 0.587 31.986 31.700 -0.502 0.000 0.806 252 E N 1.695 121.701 120.200 -0.323 0.000 2.481 252 E HA -0.086 4.278 4.350 0.024 0.000 0.195 252 E C 0.676 177.303 176.600 0.046 0.000 1.047 252 E CA 0.565 56.797 56.400 -0.280 0.000 0.867 252 E CB 0.137 29.742 29.700 -0.159 0.000 0.858 252 E HN 0.622 nan 8.360 nan 0.000 0.513 253 E N 0.836 121.027 120.200 -0.015 0.000 2.474 253 E HA 0.012 4.376 4.350 0.024 0.000 0.194 253 E C 0.484 177.095 176.600 0.019 0.000 1.041 253 E CA -0.283 56.132 56.400 0.024 0.000 0.874 253 E CB 0.245 29.940 29.700 -0.007 0.000 0.914 253 E HN 0.078 nan 8.360 nan 0.000 0.498 254 N N 1.827 120.530 118.700 0.005 0.000 2.458 254 N HA -0.022 4.732 4.740 0.024 0.000 0.258 254 N C -1.911 173.632 175.510 0.054 0.000 1.219 254 N CA -1.116 51.944 53.050 0.017 0.000 0.902 254 N CB 1.101 39.598 38.487 0.016 0.000 1.076 254 N HN -0.172 nan 8.380 nan 0.000 0.455 255 P HA -0.067 nan 4.420 nan 0.000 0.225 255 P C 0.357 177.531 177.300 -0.210 0.000 1.148 255 P CA 1.191 64.172 63.100 -0.199 0.000 0.779 255 P CB 0.088 31.582 31.700 -0.344 0.000 0.780 256 H N -3.620 115.556 119.070 0.176 0.000 2.563 256 H HA 0.077 4.647 4.556 0.024 0.000 0.264 256 H C 0.313 175.716 175.328 0.125 0.000 0.957 256 H CA -0.138 55.992 56.048 0.135 0.000 1.173 256 H CB -0.417 29.423 29.762 0.130 0.000 1.420 256 H HN 0.170 nan 8.280 nan 0.000 0.551 257 Y N 2.797 123.193 120.300 0.159 0.000 2.436 257 Y HA 0.081 4.645 4.550 0.024 0.000 0.336 257 Y C 1.421 177.276 175.900 -0.074 0.000 1.049 257 Y CA -0.697 57.452 58.100 0.081 0.000 1.294 257 Y CB 0.266 38.858 38.460 0.220 0.000 1.179 257 Y HN 0.106 nan 8.280 nan 0.000 0.520 258 I N 2.741 122.862 120.570 -0.748 0.000 4.018 258 I HA 0.616 4.801 4.170 0.024 0.000 0.337 258 I C 0.814 176.438 176.117 -0.821 0.000 1.327 258 I CA 0.483 61.245 61.300 -0.896 0.000 1.100 258 I CB -0.024 37.153 38.000 -1.372 0.000 1.025 258 I HN 0.777 nan 8.210 nan 0.000 0.396 259 G N 1.243 109.171 108.800 -1.454 0.000 2.396 259 G HA2 -0.134 3.841 3.960 0.024 0.000 0.254 259 G HA3 -0.134 3.841 3.960 0.024 0.000 0.254 259 G C -0.505 173.874 174.900 -0.869 0.000 1.248 259 G CA -0.335 44.023 45.100 -1.235 0.000 1.033 259 G HN 0.162 nan 8.290 nan 0.000 0.502 260 T N 0.773 114.741 114.554 -0.975 0.000 2.851 260 T HA 0.511 4.875 4.350 0.024 0.000 0.298 260 T C 0.522 175.154 174.700 -0.113 0.000 0.977 260 T CA 0.924 62.778 62.100 -0.411 0.000 1.126 260 T CB 1.321 70.025 68.868 -0.272 0.000 0.916 260 T HN 1.150 nan 8.240 nan 0.000 0.529 261 S N 3.390 119.061 115.700 -0.049 0.000 2.423 261 S HA 0.432 4.917 4.470 0.024 0.000 0.317 261 S C -1.198 173.513 174.600 0.185 0.000 1.065 261 S CA -0.684 57.556 58.200 0.068 0.000 1.111 261 S CB 0.022 63.240 63.200 0.030 0.000 0.968 261 S HN 0.757 nan 8.310 nan 0.000 0.474 262 W N 5.590 126.916 121.300 0.043 0.000 1.067 262 W HA 0.409 5.083 4.660 0.024 0.000 0.313 262 W C 0.576 177.164 176.519 0.116 0.000 0.868 262 W CA -0.410 56.973 57.345 0.063 0.000 1.561 262 W CB 0.003 29.481 29.460 0.031 0.000 1.608 262 W HN 1.074 nan 8.180 nan 0.000 0.485 263 G N 2.470 111.456 108.800 0.311 0.000 2.651 263 G HA2 -0.429 3.546 3.960 0.024 0.000 0.315 263 G HA3 -0.429 3.546 3.960 0.024 0.000 0.315 263 G C 1.058 176.042 174.900 0.140 0.000 1.258 263 G CA 1.168 46.384 45.100 0.194 0.000 1.002 263 G HN 0.595 nan 8.290 nan 0.000 0.551 264 E N 0.362 120.613 120.200 0.084 0.000 2.511 264 E HA 0.184 4.548 4.350 0.024 0.000 0.196 264 E C 1.692 178.318 176.600 0.044 0.000 1.066 264 E CA 1.243 57.678 56.400 0.058 0.000 0.871 264 E CB -0.057 29.661 29.700 0.030 0.000 0.863 264 E HN 1.246 nan 8.360 nan 0.000 0.520 265 V N -1.694 118.243 119.914 0.038 0.000 3.006 265 V HA 0.302 4.436 4.120 0.024 0.000 0.357 265 V C 0.236 176.447 176.094 0.195 0.000 1.377 265 V CA -0.818 61.506 62.300 0.039 0.000 1.198 265 V CB 0.130 31.878 31.823 -0.125 0.000 1.216 265 V HN 0.030 nan 8.190 nan 0.000 0.520 266 S N 0.546 116.382 115.700 0.228 0.000 2.589 266 S HA 0.473 4.957 4.470 0.024 0.000 0.265 266 S C -0.121 174.692 174.600 0.354 0.000 1.342 266 S CA -0.083 58.294 58.200 0.296 0.000 1.005 266 S CB 0.295 63.631 63.200 0.226 0.000 0.909 266 S HN 0.476 nan 8.310 nan 0.000 0.555 267 Y N 1.781 122.154 120.300 0.120 0.000 2.511 267 Y HA 0.169 4.733 4.550 0.024 0.000 0.347 267 Y C -1.910 174.065 175.900 0.125 0.000 1.257 267 Y CA -1.897 56.266 58.100 0.106 0.000 1.469 267 Y CB -0.801 37.703 38.460 0.073 0.000 1.353 267 Y HN 0.394 nan 8.280 nan 0.000 0.617 268 P HA 0.090 nan 4.420 nan 0.000 0.261 268 P C 0.699 178.146 177.300 0.244 0.000 1.183 268 P CA 1.834 65.028 63.100 0.156 0.000 0.761 268 P CB 0.315 32.056 31.700 0.070 0.000 0.785 269 G N 1.643 110.564 108.800 0.202 0.000 2.299 269 G HA2 -0.328 3.647 3.960 0.024 0.000 0.237 269 G HA3 -0.328 3.647 3.960 0.024 0.000 0.237 269 G C 1.048 176.195 174.900 0.411 0.000 1.027 269 G CA 0.267 45.518 45.100 0.253 0.000 0.619 269 G HN 0.389 nan 8.290 nan 0.000 0.513 270 V N 1.067 121.201 119.914 0.367 0.000 2.307 270 V HA -0.098 4.037 4.120 0.024 0.000 0.245 270 V C 2.435 178.645 176.094 0.193 0.000 1.045 270 V CA 2.882 65.321 62.300 0.231 0.000 1.024 270 V CB -0.412 31.479 31.823 0.115 0.000 0.651 270 V HN 0.621 nan 8.190 nan 0.000 0.449 271 E N 0.303 120.614 120.200 0.186 0.000 2.058 271 E HA -0.272 4.093 4.350 0.024 0.000 0.194 271 E C 2.294 178.988 176.600 0.157 0.000 0.997 271 E CA 1.562 58.055 56.400 0.154 0.000 0.801 271 E CB -0.037 29.746 29.700 0.140 0.000 0.746 271 E HN 0.571 nan 8.360 nan 0.000 0.450 272 K N -0.444 120.076 120.400 0.200 0.000 2.057 272 K HA -0.090 4.244 4.320 0.024 0.000 0.206 272 K C 2.251 179.013 176.600 0.270 0.000 1.050 272 K CA 1.710 58.143 56.287 0.242 0.000 0.935 272 K CB -0.157 32.528 32.500 0.307 0.000 0.715 272 K HN 0.138 nan 8.250 nan 0.000 0.439 273 T N 1.577 116.350 114.554 0.364 0.000 2.720 273 T HA -0.140 4.225 4.350 0.024 0.000 0.268 273 T C 1.824 176.556 174.700 0.053 0.000 1.037 273 T CA 1.241 63.514 62.100 0.288 0.000 1.144 273 T CB -0.053 69.050 68.868 0.392 0.000 0.864 273 T HN 0.102 nan 8.240 nan 0.000 0.444 274 M N 0.951 120.597 119.600 0.077 0.000 2.175 274 M HA 0.038 4.532 4.480 0.024 0.000 0.264 274 M C 2.252 178.559 176.300 0.013 0.000 1.063 274 M CA 1.265 56.589 55.300 0.040 0.000 1.119 274 M CB -0.936 31.702 32.600 0.063 0.000 1.377 274 M HN 0.195 nan 8.290 nan 0.000 0.415 275 K N 0.273 120.685 120.400 0.021 0.000 2.097 275 K HA -0.150 4.184 4.320 0.024 0.000 0.205 275 K C 1.613 178.174 176.600 -0.065 0.000 1.050 275 K CA 1.023 57.311 56.287 0.002 0.000 0.938 275 K CB 0.257 32.777 32.500 0.034 0.000 0.718 275 K HN 0.179 nan 8.250 nan 0.000 0.442 276 E N 0.348 120.447 120.200 -0.169 0.000 2.299 276 E HA 0.039 4.403 4.350 0.024 0.000 0.193 276 E C 0.289 176.722 176.600 -0.278 0.000 0.998 276 E CA 0.187 56.384 56.400 -0.337 0.000 0.851 276 E CB -0.031 29.129 29.700 -0.900 0.000 0.795 276 E HN 0.289 nan 8.360 nan 0.000 0.492 277 A N 1.988 124.696 122.820 -0.188 0.000 2.561 277 A HA -0.069 4.265 4.320 0.024 0.000 0.234 277 A C 0.717 178.262 177.584 -0.066 0.000 1.055 277 A CA 0.226 52.199 52.037 -0.107 0.000 0.756 277 A CB 0.227 19.205 19.000 -0.036 0.000 0.986 277 A HN -0.051 nan 8.150 nan 0.000 0.505 278 D N 0.636 121.005 120.400 -0.052 0.000 2.249 278 D HA 0.252 4.907 4.640 0.024 0.000 0.205 278 D C 0.587 176.889 176.300 0.003 0.000 0.962 278 D CA 1.737 55.711 54.000 -0.043 0.000 0.860 278 D CB 0.131 40.891 40.800 -0.065 0.000 0.955 278 D HN 0.722 nan 8.370 nan 0.000 0.505 279 A N 0.326 123.179 122.820 0.055 0.000 2.488 279 A HA 0.523 4.857 4.320 0.024 0.000 0.298 279 A C -1.146 176.526 177.584 0.147 0.000 1.044 279 A CA -0.568 51.572 52.037 0.173 0.000 0.693 279 A CB 1.884 21.023 19.000 0.231 0.000 1.272 279 A HN -0.101 nan 8.150 nan 0.000 0.402 280 V N 3.549 123.561 119.914 0.163 0.000 2.409 280 V HA 0.387 4.522 4.120 0.024 0.000 0.291 280 V C -0.351 175.825 176.094 0.138 0.000 1.020 280 V CA -0.193 62.182 62.300 0.126 0.000 0.848 280 V CB 1.362 33.245 31.823 0.101 0.000 0.990 280 V HN 0.722 nan 8.190 nan 0.000 0.430 281 I N 4.679 125.335 120.570 0.143 0.000 2.287 281 I HA 0.522 4.706 4.170 0.024 0.000 0.290 281 I C 0.646 176.830 176.117 0.112 0.000 1.069 281 I CA -0.258 61.125 61.300 0.138 0.000 1.237 281 I CB 1.237 39.356 38.000 0.197 0.000 1.418 281 I HN 0.655 nan 8.210 nan 0.000 0.481 282 A N 8.301 131.180 122.820 0.098 0.000 2.269 282 A HA 0.633 4.967 4.320 0.024 0.000 0.302 282 A C -0.240 177.366 177.584 0.036 0.000 1.266 282 A CA -0.426 51.666 52.037 0.091 0.000 0.894 282 A CB 0.232 19.343 19.000 0.185 0.000 1.147 282 A HN 0.742 nan 8.150 nan 0.000 0.537 283 L N 2.818 124.052 121.223 0.018 0.000 2.272 283 L HA 0.480 4.834 4.340 0.024 0.000 0.284 283 L C 1.025 177.881 176.870 -0.024 0.000 1.045 283 L CA -0.084 54.761 54.840 0.008 0.000 0.842 283 L CB 0.852 42.937 42.059 0.043 0.000 1.224 283 L HN 1.067 nan 8.230 nan 0.000 0.430 284 A N 3.698 126.489 122.820 -0.048 0.000 2.610 284 A HA -0.126 4.209 4.320 0.024 0.000 0.299 284 A C -2.295 175.211 177.584 -0.129 0.000 1.487 284 A CA -0.259 51.734 52.037 -0.072 0.000 0.743 284 A CB -1.757 17.215 19.000 -0.046 0.000 1.070 284 A HN 0.481 nan 8.150 nan 0.000 0.439 285 P HA 0.526 nan 4.420 nan 0.000 0.279 285 P C -0.419 176.585 177.300 -0.495 0.000 1.252 285 P CA -0.326 62.493 63.100 -0.467 0.000 0.811 285 P CB 1.694 32.893 31.700 -0.835 0.000 1.035 286 V N 2.891 122.497 119.914 -0.512 0.000 2.349 286 V HA 0.263 4.398 4.120 0.024 0.000 0.284 286 V C -0.435 175.452 176.094 -0.344 0.000 1.014 286 V CA -0.310 61.794 62.300 -0.326 0.000 0.826 286 V CB 0.251 31.970 31.823 -0.173 0.000 1.009 286 V HN 0.312 nan 8.190 nan 0.000 0.431 287 F N 5.576 125.552 119.950 0.044 0.000 2.335 287 F HA 0.482 5.023 4.527 0.023 0.000 0.365 287 F C 0.651 176.522 175.800 0.119 0.000 1.122 287 F CA -0.735 57.315 58.000 0.083 0.000 1.151 287 F CB 0.445 39.528 39.000 0.138 0.000 1.282 287 F HN 0.683 nan 8.300 nan 0.000 0.513 288 N N 0.212 118.999 118.700 0.146 0.000 3.002 288 N HA 0.229 4.984 4.740 0.024 0.000 0.331 288 N C 0.559 175.781 175.510 -0.480 0.000 1.384 288 N CA -0.718 52.333 53.050 0.001 0.000 0.780 288 N CB 0.269 38.762 38.487 0.011 0.000 1.492 288 N HN 0.245 nan 8.380 nan 0.000 0.608 289 D N -1.387 118.620 120.400 -0.655 0.000 2.219 289 D HA -0.190 4.465 4.640 0.024 0.000 0.205 289 D C 1.004 177.163 176.300 -0.235 0.000 0.970 289 D CA 1.370 54.749 54.000 -1.036 0.000 0.851 289 D CB -0.406 40.053 40.800 -0.568 0.000 0.943 289 D HN 0.436 nan 8.370 nan 0.000 0.488 290 Y N 1.719 121.958 120.300 -0.100 0.000 2.243 290 Y HA -0.039 4.528 4.550 0.027 0.000 0.293 290 Y C 2.914 179.089 175.900 0.459 0.000 1.124 290 Y CA 0.786 59.074 58.100 0.313 0.000 1.159 290 Y CB -0.782 37.930 38.460 0.420 0.000 1.008 290 Y HN 0.148 nan 8.280 nan 0.000 0.527 291 S N -1.234 114.663 115.700 0.329 0.000 2.522 291 S HA -0.065 4.419 4.470 0.024 0.000 0.227 291 S C 1.482 176.271 174.600 0.316 0.000 0.986 291 S CA 0.988 59.314 58.200 0.210 0.000 0.929 291 S CB -0.878 62.302 63.200 -0.034 0.000 0.769 291 S HN 0.461 nan 8.310 nan 0.000 0.529 292 T N -1.838 112.848 114.554 0.219 0.000 3.145 292 T HA 0.236 4.600 4.350 0.024 0.000 0.255 292 T C 0.334 175.136 174.700 0.170 0.000 1.039 292 T CA 0.302 62.520 62.100 0.197 0.000 0.928 292 T CB -0.760 68.182 68.868 0.124 0.000 1.029 292 T HN 0.300 nan 8.240 nan 0.000 0.554 293 T N 1.836 116.546 114.554 0.259 0.000 3.580 293 T HA -0.058 4.307 4.350 0.024 0.000 0.402 293 T C 1.235 175.880 174.700 -0.092 0.000 0.765 293 T CA 0.810 62.979 62.100 0.114 0.000 2.064 293 T CB -2.230 66.712 68.868 0.123 0.000 1.724 293 T HN 1.742 nan 8.240 nan 0.000 0.719 294 G N 0.611 109.276 108.800 -0.225 0.000 2.246 294 G HA2 -0.278 3.697 3.960 0.024 0.000 0.273 294 G HA3 -0.278 3.697 3.960 0.024 0.000 0.273 294 G C 0.468 175.325 174.900 -0.071 0.000 1.055 294 G CA 0.633 45.577 45.100 -0.260 0.000 0.851 294 G HN 1.387 nan 8.290 nan 0.000 0.500 295 W N -2.983 118.365 121.300 0.080 0.000 3.456 295 W HA -0.327 4.346 4.660 0.022 0.000 0.314 295 W C 1.892 178.436 176.519 0.042 0.000 1.192 295 W CA 1.378 58.759 57.345 0.060 0.000 0.654 295 W CB -2.299 27.183 29.460 0.037 0.000 2.251 295 W HN 0.999 nan 8.180 nan 0.000 1.360 296 T N -4.097 110.566 114.554 0.181 0.000 3.054 296 T HA 0.033 4.397 4.350 0.024 0.000 0.259 296 T C 0.463 175.238 174.700 0.124 0.000 1.092 296 T CA 1.147 63.324 62.100 0.128 0.000 1.121 296 T CB 0.265 69.177 68.868 0.073 0.000 0.912 296 T HN 0.087 nan 8.240 nan 0.000 0.489 297 D N 0.710 121.198 120.400 0.147 0.000 2.434 297 D HA 0.411 5.065 4.640 0.024 0.000 0.275 297 D C -1.026 175.352 176.300 0.130 0.000 1.172 297 D CA -0.674 53.409 54.000 0.138 0.000 0.916 297 D CB -0.114 40.788 40.800 0.170 0.000 1.041 297 D HN 0.400 nan 8.370 nan 0.000 0.501 298 I N 3.187 123.805 120.570 0.080 0.000 2.378 298 I HA 0.384 4.568 4.170 0.024 0.000 0.291 298 I C -1.816 174.247 176.117 -0.089 0.000 0.992 298 I CA -2.117 59.174 61.300 -0.014 0.000 1.154 298 I CB 1.752 39.770 38.000 0.030 0.000 1.315 298 I HN 0.169 nan 8.210 nan 0.000 0.448 299 P HA 0.031 nan 4.420 nan 0.000 0.268 299 P C -0.659 176.580 177.300 -0.102 0.000 1.205 299 P CA -0.268 62.745 63.100 -0.145 0.000 0.771 299 P CB 0.394 31.961 31.700 -0.222 0.000 0.858 300 D N 3.686 124.065 120.400 -0.035 0.000 2.412 300 D HA 0.001 4.656 4.640 0.024 0.000 0.257 300 D C -1.464 174.831 176.300 -0.008 0.000 1.217 300 D CA -1.655 52.337 54.000 -0.013 0.000 0.897 300 D CB 0.630 41.437 40.800 0.012 0.000 1.132 300 D HN 0.129 nan 8.370 nan 0.000 0.493 301 P HA -0.121 nan 4.420 nan 0.000 0.218 301 P C 0.723 178.039 177.300 0.027 0.000 1.148 301 P CA 1.192 64.283 63.100 -0.015 0.000 0.822 301 P CB 0.302 31.989 31.700 -0.022 0.000 0.784 302 K N -0.472 119.960 120.400 0.054 0.000 2.439 302 K HA -0.016 4.319 4.320 0.024 0.000 0.197 302 K C 1.602 178.332 176.600 0.216 0.000 1.041 302 K CA 0.992 57.345 56.287 0.111 0.000 0.970 302 K CB -0.232 32.315 32.500 0.078 0.000 0.773 302 K HN 0.174 nan 8.250 nan 0.000 0.479 303 K N -0.239 120.266 120.400 0.176 0.000 2.355 303 K HA 0.149 4.484 4.320 0.024 0.000 0.198 303 K C -0.344 176.410 176.600 0.257 0.000 1.039 303 K CA -0.275 56.162 56.287 0.251 0.000 1.075 303 K CB 0.405 32.981 32.500 0.127 0.000 0.870 303 K HN -0.039 nan 8.250 nan 0.000 0.540 304 L N 1.722 123.010 121.223 0.108 0.000 2.276 304 L HA 0.205 4.560 4.340 0.024 0.000 0.286 304 L C -0.769 176.033 176.870 -0.113 0.000 1.061 304 L CA -0.349 54.506 54.840 0.025 0.000 0.807 304 L CB 1.352 43.413 42.059 0.004 0.000 1.177 304 L HN -0.262 nan 8.230 nan 0.000 0.429 305 V N 6.689 126.559 119.914 -0.073 0.000 2.328 305 V HA 0.295 4.430 4.120 0.024 0.000 0.278 305 V C -0.289 175.779 176.094 -0.044 0.000 1.021 305 V CA -0.559 61.662 62.300 -0.132 0.000 0.838 305 V CB 1.300 33.087 31.823 -0.059 0.000 0.999 305 V HN 0.568 nan 8.190 nan 0.000 0.447 306 L N 5.848 127.032 121.223 -0.065 0.000 2.270 306 L HA 0.702 5.056 4.340 0.024 0.000 0.286 306 L C 0.526 177.339 176.870 -0.095 0.000 1.059 306 L CA -0.070 54.754 54.840 -0.026 0.000 0.839 306 L CB 0.835 42.897 42.059 0.004 0.000 1.221 306 L HN 0.683 nan 8.230 nan 0.000 0.431 307 A N 5.241 128.000 122.820 -0.102 0.000 2.540 307 A HA 0.548 4.883 4.320 0.024 0.000 0.340 307 A C 0.059 177.567 177.584 -0.126 0.000 1.424 307 A CA -0.661 51.253 52.037 -0.205 0.000 0.940 307 A CB -0.175 18.699 19.000 -0.209 0.000 1.149 307 A HN 0.627 nan 8.150 nan 0.000 0.505 308 E N 2.192 122.322 120.200 -0.117 0.000 2.342 308 E HA 0.170 4.534 4.350 0.024 0.000 0.257 308 E C -1.639 174.908 176.600 -0.088 0.000 1.150 308 E CA -1.860 54.490 56.400 -0.084 0.000 0.926 308 E CB 0.245 29.907 29.700 -0.064 0.000 1.074 308 E HN 0.244 nan 8.360 nan 0.000 0.449 309 P HA -0.086 nan 4.420 nan 0.000 0.217 309 P C 0.591 177.823 177.300 -0.113 0.000 1.148 309 P CA 1.577 64.621 63.100 -0.093 0.000 0.828 309 P CB 0.277 31.911 31.700 -0.110 0.000 0.783 310 R N -1.626 118.813 120.500 -0.101 0.000 2.572 310 R HA 0.277 4.632 4.340 0.024 0.000 0.370 310 R C 0.001 176.300 176.300 -0.000 0.000 1.005 310 R CA 0.110 56.165 56.100 -0.076 0.000 1.146 310 R CB 0.689 30.906 30.300 -0.138 0.000 1.390 310 R HN 0.185 nan 8.270 nan 0.000 0.553 311 S N -1.407 114.271 115.700 -0.037 0.000 2.588 311 S HA 0.559 5.044 4.470 0.024 0.000 0.269 311 S C -0.993 173.547 174.600 -0.101 0.000 1.157 311 S CA -0.794 57.389 58.200 -0.028 0.000 0.824 311 S CB 2.339 65.533 63.200 -0.010 0.000 1.126 311 S HN -0.141 nan 8.310 nan 0.000 0.464 312 V N 1.295 121.162 119.914 -0.079 0.000 2.638 312 V HA 0.615 4.750 4.120 0.024 0.000 0.306 312 V C -0.890 175.206 176.094 0.002 0.000 1.052 312 V CA -0.666 61.535 62.300 -0.165 0.000 0.885 312 V CB 1.839 33.413 31.823 -0.415 0.000 0.999 312 V HN 0.867 nan 8.190 nan 0.000 0.424 313 V N 5.174 125.058 119.914 -0.049 0.000 2.357 313 V HA 0.669 4.804 4.120 0.024 0.000 0.284 313 V C -0.371 175.682 176.094 -0.068 0.000 1.018 313 V CA -0.495 61.782 62.300 -0.038 0.000 0.841 313 V CB 1.633 33.421 31.823 -0.059 0.000 0.991 313 V HN 0.631 nan 8.190 nan 0.000 0.437 314 V N 5.215 125.115 119.914 -0.023 0.000 2.777 314 V HA 0.570 4.704 4.120 0.024 0.000 0.306 314 V C 0.241 176.278 176.094 -0.095 0.000 1.112 314 V CA -0.384 61.840 62.300 -0.128 0.000 0.917 314 V CB 1.906 33.706 31.823 -0.038 0.000 1.018 314 V HN 0.940 nan 8.190 nan 0.000 0.426 315 N N 4.225 122.751 118.700 -0.289 0.000 2.747 315 N HA -0.158 4.597 4.740 0.024 0.000 0.249 315 N C 0.862 176.380 175.510 0.013 0.000 1.107 315 N CA 2.014 55.045 53.050 -0.031 0.000 0.707 315 N CB -1.169 37.404 38.487 0.144 0.000 1.054 315 N HN 2.271 nan 8.380 nan 0.000 0.555 316 G N -1.323 107.450 108.800 -0.046 0.000 2.153 316 G HA2 -0.282 3.692 3.960 0.024 0.000 0.252 316 G HA3 -0.282 3.692 3.960 0.024 0.000 0.252 316 G C 0.060 174.913 174.900 -0.079 0.000 0.994 316 G CA 0.538 45.613 45.100 -0.040 0.000 0.698 316 G HN 0.564 nan 8.290 nan 0.000 0.521 317 I N -0.620 119.880 120.570 -0.115 0.000 2.545 317 I HA 0.486 4.670 4.170 0.024 0.000 0.292 317 I C 0.309 176.186 176.117 -0.399 0.000 1.040 317 I CA -1.105 60.025 61.300 -0.284 0.000 1.068 317 I CB 2.081 39.863 38.000 -0.364 0.000 1.251 317 I HN 0.100 nan 8.210 nan 0.000 0.424 318 R N 5.139 125.371 120.500 -0.446 0.000 2.265 318 R HA 0.528 4.882 4.340 0.024 0.000 0.319 318 R C -1.712 174.289 176.300 -0.498 0.000 1.006 318 R CA -0.305 55.596 56.100 -0.331 0.000 0.880 318 R CB 0.713 30.905 30.300 -0.179 0.000 1.077 318 R HN 0.428 nan 8.270 nan 0.000 0.454 319 F N 6.985 126.898 119.950 -0.060 0.000 2.451 319 F HA 0.359 4.900 4.527 0.024 0.000 0.367 319 F C -1.804 173.967 175.800 -0.047 0.000 1.100 319 F CA -2.252 55.718 58.000 -0.050 0.000 1.171 319 F CB 1.292 40.257 39.000 -0.057 0.000 1.405 319 F HN 0.400 nan 8.300 nan 0.000 0.482 320 P HA 0.055 nan 4.420 nan 0.000 0.273 320 P C 0.183 177.540 177.300 0.096 0.000 1.250 320 P CA 0.131 63.271 63.100 0.066 0.000 0.793 320 P CB 1.039 32.758 31.700 0.032 0.000 1.011 321 S N -2.716 113.043 115.700 0.098 0.000 3.586 321 S HA -0.090 4.394 4.470 0.024 0.000 0.309 321 S C 0.035 174.705 174.600 0.116 0.000 1.195 321 S CA 0.664 58.938 58.200 0.123 0.000 0.895 321 S CB -1.948 61.296 63.200 0.073 0.000 0.983 321 S HN 0.414 nan 8.310 nan 0.000 0.563 322 V N 2.503 122.502 119.914 0.141 0.000 2.349 322 V HA 0.303 4.438 4.120 0.024 0.000 0.284 322 V C 0.386 176.593 176.094 0.187 0.000 1.014 322 V CA -0.636 61.722 62.300 0.098 0.000 0.826 322 V CB 0.951 32.785 31.823 0.018 0.000 1.009 322 V HN 0.497 nan 8.190 nan 0.000 0.431 323 H N 3.882 122.949 119.070 -0.004 0.000 2.683 323 H HA 0.118 4.689 4.556 0.025 0.000 0.339 323 H C 0.863 176.199 175.328 0.013 0.000 1.081 323 H CA -0.820 55.224 56.048 -0.006 0.000 1.432 323 H CB 1.964 31.726 29.762 -0.000 0.000 1.462 323 H HN 0.516 nan 8.280 nan 0.000 0.557 324 L N 3.987 125.267 121.223 0.096 0.000 2.081 324 L HA -0.218 4.137 4.340 0.024 0.000 0.212 324 L C 2.345 179.286 176.870 0.118 0.000 1.080 324 L CA 1.816 56.705 54.840 0.081 0.000 0.754 324 L CB -0.550 41.520 42.059 0.018 0.000 0.893 324 L HN 0.606 nan 8.230 nan 0.000 0.433 325 K N -0.924 119.531 120.400 0.091 0.000 2.057 325 K HA -0.191 4.144 4.320 0.024 0.000 0.207 325 K C 1.646 178.284 176.600 0.063 0.000 1.049 325 K CA 1.800 58.127 56.287 0.066 0.000 0.931 325 K CB -0.141 32.391 32.500 0.054 0.000 0.714 325 K HN 0.396 nan 8.250 nan 0.000 0.440 326 D N -0.343 120.106 120.400 0.082 0.000 2.123 326 D HA -0.163 4.491 4.640 0.024 0.000 0.200 326 D C 1.742 178.070 176.300 0.046 0.000 0.976 326 D CA 0.896 54.923 54.000 0.045 0.000 0.831 326 D CB -0.406 40.407 40.800 0.023 0.000 0.974 326 D HN 0.286 nan 8.370 nan 0.000 0.469 327 Y N 1.730 121.998 120.300 -0.054 0.000 2.145 327 Y HA -0.168 4.397 4.550 0.025 0.000 0.286 327 Y C 2.197 178.018 175.900 -0.132 0.000 1.145 327 Y CA 1.372 59.412 58.100 -0.099 0.000 1.148 327 Y CB -0.474 37.921 38.460 -0.108 0.000 0.981 327 Y HN -0.120 nan 8.280 nan 0.000 0.507 328 L N -0.894 120.244 121.223 -0.143 0.000 2.046 328 L HA -0.238 4.117 4.340 0.024 0.000 0.208 328 L C 2.376 179.167 176.870 -0.132 0.000 1.077 328 L CA 1.844 56.530 54.840 -0.258 0.000 0.747 328 L CB -0.926 41.097 42.059 -0.060 0.000 0.896 328 L HN 0.228 nan 8.230 nan 0.000 0.432 329 T N -0.903 113.617 114.554 -0.056 0.000 2.674 329 T HA -0.236 4.129 4.350 0.024 0.000 0.265 329 T C 2.012 176.685 174.700 -0.046 0.000 1.039 329 T CA 1.571 63.658 62.100 -0.021 0.000 1.150 329 T CB -0.183 68.680 68.868 -0.008 0.000 0.864 329 T HN 0.160 nan 8.240 nan 0.000 0.427 330 R N 0.602 121.052 120.500 -0.083 0.000 2.120 330 R HA 0.036 4.391 4.340 0.024 0.000 0.234 330 R C 2.145 178.373 176.300 -0.119 0.000 1.123 330 R CA 0.966 57.013 56.100 -0.089 0.000 0.975 330 R CB -0.754 29.493 30.300 -0.087 0.000 0.866 330 R HN 0.257 nan 8.270 nan 0.000 0.446 331 L N 0.039 121.129 121.223 -0.222 0.000 2.109 331 L HA 0.147 4.501 4.340 0.024 0.000 0.207 331 L C 2.022 178.918 176.870 0.042 0.000 1.086 331 L CA 1.981 56.700 54.840 -0.200 0.000 0.760 331 L CB -0.788 40.944 42.059 -0.545 0.000 0.910 331 L HN 0.273 nan 8.230 nan 0.000 0.437 332 A N -1.431 121.452 122.820 0.104 0.000 2.067 332 A HA -0.203 4.131 4.320 0.024 0.000 0.219 332 A C 2.117 179.729 177.584 0.047 0.000 1.158 332 A CA 1.449 53.571 52.037 0.141 0.000 0.661 332 A CB -0.423 18.657 19.000 0.132 0.000 0.801 332 A HN 0.652 nan 8.150 nan 0.000 0.452 333 Q N -0.820 118.990 119.800 0.017 0.000 2.269 333 Q HA 0.001 4.355 4.340 0.024 0.000 0.201 333 Q C 1.382 177.382 176.000 0.000 0.000 0.946 333 Q CA 1.142 56.946 55.803 0.002 0.000 0.877 333 Q CB 0.066 28.799 28.738 -0.010 0.000 0.963 333 Q HN 0.625 nan 8.270 nan 0.000 0.472 334 K N -0.473 119.928 120.400 0.002 0.000 2.425 334 K HA 0.183 4.517 4.320 0.024 0.000 0.201 334 K C 0.221 176.829 176.600 0.014 0.000 1.128 334 K CA -0.084 56.204 56.287 0.001 0.000 1.000 334 K CB 1.220 33.714 32.500 -0.011 0.000 0.961 334 K HN -0.071 nan 8.250 nan 0.000 0.555 335 V N 2.710 122.644 119.914 0.033 0.000 2.811 335 V HA 0.048 4.182 4.120 0.024 0.000 0.302 335 V C 0.128 176.227 176.094 0.007 0.000 1.063 335 V CA -0.048 62.278 62.300 0.044 0.000 1.088 335 V CB 1.331 33.219 31.823 0.108 0.000 0.982 335 V HN 0.396 nan 8.190 nan 0.000 0.485 336 S N 5.105 120.808 115.700 0.004 0.000 2.722 336 S HA 0.604 5.088 4.470 0.024 0.000 0.292 336 S C -0.458 174.125 174.600 -0.030 0.000 1.135 336 S CA -0.909 57.284 58.200 -0.011 0.000 1.003 336 S CB 1.192 64.392 63.200 -0.000 0.000 1.067 336 S HN 0.616 nan 8.310 nan 0.000 0.546 337 K N 1.582 121.964 120.400 -0.030 0.000 2.453 337 K HA 0.155 4.490 4.320 0.024 0.000 0.280 337 K C -0.411 176.172 176.600 -0.027 0.000 1.045 337 K CA 0.600 56.863 56.287 -0.039 0.000 1.059 337 K CB 0.118 32.607 32.500 -0.017 0.000 0.901 337 K HN 0.403 nan 8.250 nan 0.000 0.475 338 K N 2.995 123.369 120.400 -0.043 0.000 2.624 338 K HA 0.086 4.420 4.320 0.024 0.000 0.200 338 K C 0.144 176.737 176.600 -0.012 0.000 1.036 338 K CA -0.153 56.123 56.287 -0.019 0.000 1.029 338 K CB 0.969 33.462 32.500 -0.012 0.000 1.317 338 K HN 0.717 nan 8.250 nan 0.000 0.555 339 T N -2.872 111.690 114.554 0.013 0.000 3.148 339 T HA -0.022 4.342 4.350 0.024 0.000 0.253 339 T C 1.861 176.603 174.700 0.070 0.000 1.134 339 T CA 0.693 62.819 62.100 0.043 0.000 1.051 339 T CB 0.123 69.026 68.868 0.059 0.000 0.959 339 T HN 0.419 nan 8.240 nan 0.000 0.525 340 G N 1.980 110.814 108.800 0.057 0.000 2.574 340 G HA2 -0.210 3.765 3.960 0.024 0.000 0.220 340 G HA3 -0.210 3.765 3.960 0.024 0.000 0.220 340 G C 1.813 176.786 174.900 0.122 0.000 1.173 340 G CA 1.051 46.196 45.100 0.076 0.000 0.772 340 G HN 0.754 nan 8.290 nan 0.000 0.585 341 A N -0.178 122.700 122.820 0.096 0.000 1.929 341 A HA 0.228 4.562 4.320 0.024 0.000 0.216 341 A C 2.351 180.076 177.584 0.235 0.000 1.176 341 A CA 1.590 53.705 52.037 0.130 0.000 0.628 341 A CB -0.344 18.688 19.000 0.053 0.000 0.816 341 A HN 0.448 nan 8.150 nan 0.000 0.444 342 L N 0.127 121.457 121.223 0.178 0.000 2.056 342 L HA -0.131 4.223 4.340 0.024 0.000 0.207 342 L C 1.560 178.588 176.870 0.264 0.000 1.078 342 L CA 2.289 57.260 54.840 0.218 0.000 0.749 342 L CB -0.605 41.557 42.059 0.172 0.000 0.901 342 L HN 0.317 nan 8.230 nan 0.000 0.433 343 D N -0.915 119.608 120.400 0.205 0.000 2.117 343 D HA -0.248 4.407 4.640 0.024 0.000 0.197 343 D C 2.043 178.451 176.300 0.180 0.000 0.987 343 D CA 1.581 55.680 54.000 0.165 0.000 0.829 343 D CB -0.364 40.513 40.800 0.128 0.000 0.961 343 D HN 0.413 nan 8.370 nan 0.000 0.460 344 F N 0.757 120.764 119.950 0.095 0.000 2.126 344 F HA -0.235 4.307 4.527 0.024 0.000 0.299 344 F C 2.138 178.000 175.800 0.104 0.000 1.096 344 F CA 1.117 59.167 58.000 0.083 0.000 1.255 344 F CB -0.353 38.697 39.000 0.084 0.000 0.997 344 F HN -0.111 nan 8.300 nan 0.000 0.479 345 F N 1.538 121.606 119.950 0.197 0.000 2.069 345 F HA -0.209 4.332 4.527 0.025 0.000 0.298 345 F C 2.285 178.062 175.800 -0.039 0.000 1.113 345 F CA 2.212 60.261 58.000 0.082 0.000 1.214 345 F CB -0.721 38.352 39.000 0.121 0.000 0.978 345 F HN -0.135 nan 8.300 nan 0.000 0.474 346 K N 0.059 120.428 120.400 -0.051 0.000 2.063 346 K HA -0.190 4.145 4.320 0.024 0.000 0.208 346 K C 2.274 178.737 176.600 -0.228 0.000 1.048 346 K CA 1.771 57.962 56.287 -0.159 0.000 0.928 346 K CB -0.549 31.965 32.500 0.023 0.000 0.713 346 K HN 0.429 nan 8.250 nan 0.000 0.442 347 S N 0.893 116.470 115.700 -0.204 0.000 2.507 347 S HA -0.042 4.443 4.470 0.024 0.000 0.235 347 S C 1.780 176.194 174.600 -0.309 0.000 0.988 347 S CA 0.629 58.697 58.200 -0.222 0.000 0.944 347 S CB -0.326 62.759 63.200 -0.192 0.000 0.762 347 S HN 0.212 nan 8.310 nan 0.000 0.526 348 L N 0.596 121.569 121.223 -0.417 0.000 2.313 348 L HA 0.081 4.435 4.340 0.024 0.000 0.214 348 L C 0.476 177.176 176.870 -0.283 0.000 1.119 348 L CA 0.177 54.785 54.840 -0.387 0.000 0.809 348 L CB -0.797 41.007 42.059 -0.425 0.000 0.933 348 L HN 0.258 nan 8.230 nan 0.000 0.449 349 N N -0.058 118.468 118.700 -0.290 0.000 2.716 349 N HA -0.236 4.519 4.740 0.024 0.000 0.250 349 N C 0.877 176.271 175.510 -0.193 0.000 1.033 349 N CA 0.851 53.773 53.050 -0.213 0.000 0.727 349 N CB -0.765 37.636 38.487 -0.143 0.000 0.950 349 N HN 0.426 nan 8.380 nan 0.000 0.541 350 A N -0.470 122.195 122.820 -0.258 0.000 2.167 350 A HA 0.434 4.769 4.320 0.024 0.000 0.214 350 A C 1.497 179.017 177.584 -0.107 0.000 1.151 350 A CA 1.485 53.422 52.037 -0.168 0.000 0.735 350 A CB -0.189 18.709 19.000 -0.170 0.000 0.802 350 A HN 1.312 nan 8.150 nan 0.000 0.467 351 G N -0.955 107.773 108.800 -0.120 0.000 2.760 351 G HA2 -0.102 3.872 3.960 0.024 0.000 0.246 351 G HA3 -0.102 3.872 3.960 0.024 0.000 0.246 351 G C -0.366 174.530 174.900 -0.007 0.000 1.359 351 G CA 0.007 45.073 45.100 -0.057 0.000 0.861 351 G HN 0.585 nan 8.290 nan 0.000 0.541 352 E N -1.494 118.710 120.200 0.006 0.000 2.322 352 E HA 0.609 4.973 4.350 0.024 0.000 0.257 352 E C 0.530 177.112 176.600 -0.031 0.000 1.155 352 E CA -0.780 55.634 56.400 0.024 0.000 0.936 352 E CB 0.864 30.578 29.700 0.025 0.000 1.130 352 E HN 0.809 nan 8.360 nan 0.000 0.465 353 L N 2.384 123.548 121.223 -0.100 0.000 2.477 353 L HA 0.068 4.423 4.340 0.024 0.000 0.272 353 L C -0.057 176.745 176.870 -0.112 0.000 1.157 353 L CA 0.630 55.348 54.840 -0.204 0.000 0.889 353 L CB 0.119 41.895 42.059 -0.470 0.000 1.158 353 L HN 0.335 nan 8.230 nan 0.000 0.473 354 K N 6.038 126.388 120.400 -0.084 0.000 2.382 354 K HA 0.084 4.419 4.320 0.024 0.000 0.286 354 K C -0.662 175.908 176.600 -0.050 0.000 1.062 354 K CA 0.152 56.408 56.287 -0.052 0.000 1.000 354 K CB 0.165 32.641 32.500 -0.040 0.000 0.954 354 K HN 0.622 nan 8.250 nan 0.000 0.470 355 K N 2.158 122.536 120.400 -0.036 0.000 2.208 355 K HA 0.402 4.737 4.320 0.024 0.000 0.247 355 K C -0.559 176.032 176.600 -0.016 0.000 0.953 355 K CA -0.919 55.353 56.287 -0.026 0.000 0.837 355 K CB 1.856 34.345 32.500 -0.020 0.000 1.131 355 K HN 0.635 nan 8.250 nan 0.000 0.431 356 A N 1.228 124.041 122.820 -0.011 0.000 2.366 356 A HA 0.573 4.907 4.320 0.024 0.000 0.249 356 A C -0.225 177.356 177.584 -0.005 0.000 1.084 356 A CA -0.249 51.784 52.037 -0.008 0.000 0.794 356 A CB 0.406 19.403 19.000 -0.006 0.000 1.034 356 A HN 0.760 nan 8.150 nan 0.000 0.491 357 A N 1.576 124.394 122.820 -0.003 0.000 2.264 357 A HA 0.695 5.030 4.320 0.024 0.000 0.304 357 A C -2.378 175.207 177.584 0.001 0.000 1.100 357 A CA -1.709 50.328 52.037 -0.000 0.000 0.839 357 A CB -0.542 18.458 19.000 -0.000 0.000 1.121 357 A HN 0.644 nan 8.150 nan 0.000 0.496 358 P HA 0.166 nan 4.420 nan 0.000 0.255 358 P C -0.087 177.216 177.300 0.006 0.000 1.161 358 P CA 0.782 63.885 63.100 0.005 0.000 0.768 358 P CB 0.109 31.813 31.700 0.007 0.000 0.746 359 A N 3.370 126.194 122.820 0.007 0.000 2.346 359 A HA 0.178 4.512 4.320 0.024 0.000 0.252 359 A C 0.396 177.985 177.584 0.009 0.000 1.089 359 A CA -0.388 51.654 52.037 0.008 0.000 0.797 359 A CB 0.022 19.028 19.000 0.010 0.000 1.047 359 A HN 0.501 nan 8.150 nan 0.000 0.494 360 D N 0.962 121.367 120.400 0.008 0.000 2.451 360 D HA 0.153 4.808 4.640 0.024 0.000 0.254 360 D C -1.554 174.752 176.300 0.011 0.000 1.204 360 D CA -1.211 52.794 54.000 0.008 0.000 0.896 360 D CB 0.706 41.509 40.800 0.006 0.000 1.136 360 D HN 0.105 nan 8.370 nan 0.000 0.499 361 P HA -0.156 nan 4.420 nan 0.000 0.217 361 P C 0.876 178.185 177.300 0.014 0.000 1.148 361 P CA 1.291 64.400 63.100 0.015 0.000 0.828 361 P CB 0.076 31.785 31.700 0.015 0.000 0.783 362 S N -2.325 113.381 115.700 0.010 0.000 2.575 362 S HA 0.366 4.850 4.470 0.024 0.000 0.215 362 S C 1.017 175.620 174.600 0.005 0.000 0.966 362 S CA -0.227 57.977 58.200 0.007 0.000 0.911 362 S CB -0.587 62.615 63.200 0.003 0.000 0.780 362 S HN 0.104 nan 8.310 nan 0.000 0.514 363 A N 2.849 125.674 122.820 0.008 0.000 2.407 363 A HA 0.579 4.914 4.320 0.024 0.000 0.248 363 A C -2.508 175.083 177.584 0.012 0.000 1.082 363 A CA -1.556 50.486 52.037 0.008 0.000 0.785 363 A CB -0.482 18.523 19.000 0.009 0.000 1.020 363 A HN 0.229 nan 8.150 nan 0.000 0.489 364 P HA 0.074 nan 4.420 nan 0.000 0.264 364 P C -0.311 177.007 177.300 0.030 0.000 1.183 364 P CA -0.074 63.037 63.100 0.018 0.000 0.763 364 P CB 0.221 31.930 31.700 0.015 0.000 0.807 365 L N 5.611 126.862 121.223 0.046 0.000 2.499 365 L HA 0.190 4.544 4.340 0.024 0.000 0.273 365 L C -0.087 176.815 176.870 0.052 0.000 1.195 365 L CA 0.301 55.175 54.840 0.057 0.000 0.882 365 L CB 0.118 42.230 42.059 0.088 0.000 1.133 365 L HN 0.217 nan 8.230 nan 0.000 0.483 366 V N 2.118 122.055 119.914 0.038 0.000 3.046 366 V HA 0.546 4.680 4.120 0.024 0.000 0.316 366 V C 0.789 176.898 176.094 0.024 0.000 1.104 366 V CA -0.542 61.776 62.300 0.031 0.000 1.006 366 V CB 1.552 33.387 31.823 0.020 0.000 1.058 366 V HN 0.789 nan 8.190 nan 0.000 0.440 367 N N 1.950 120.662 118.700 0.020 0.000 2.069 367 N HA -0.156 4.599 4.740 0.024 0.000 0.191 367 N C 1.686 177.199 175.510 0.006 0.000 1.031 367 N CA 2.589 55.648 53.050 0.015 0.000 0.852 367 N CB -0.297 38.200 38.487 0.017 0.000 1.018 367 N HN 1.009 nan 8.380 nan 0.000 0.423 368 A N -0.041 122.782 122.820 0.005 0.000 1.940 368 A HA -0.164 4.170 4.320 0.024 0.000 0.219 368 A C 2.150 179.730 177.584 -0.007 0.000 1.176 368 A CA 1.922 53.959 52.037 0.000 0.000 0.631 368 A CB -0.801 18.199 19.000 -0.000 0.000 0.814 368 A HN 0.518 nan 8.150 nan 0.000 0.446 369 E N 0.354 120.552 120.200 -0.002 0.000 2.106 369 E HA -0.103 4.262 4.350 0.024 0.000 0.192 369 E C 1.686 178.274 176.600 -0.021 0.000 0.984 369 E CA 1.244 57.641 56.400 -0.004 0.000 0.806 369 E CB -0.392 29.314 29.700 0.009 0.000 0.750 369 E HN 0.650 nan 8.360 nan 0.000 0.458 370 I N 0.470 121.025 120.570 -0.026 0.000 2.142 370 I HA -0.280 3.904 4.170 0.024 0.000 0.240 370 I C 2.418 178.457 176.117 -0.130 0.000 1.078 370 I CA 1.167 62.422 61.300 -0.074 0.000 1.343 370 I CB -0.557 37.409 38.000 -0.057 0.000 1.046 370 I HN 0.201 nan 8.210 nan 0.000 0.405 371 A N 0.726 123.498 122.820 -0.080 0.000 1.940 371 A HA -0.258 4.076 4.320 0.024 0.000 0.219 371 A C 2.465 180.006 177.584 -0.071 0.000 1.176 371 A CA 1.839 53.832 52.037 -0.074 0.000 0.631 371 A CB -0.698 18.291 19.000 -0.018 0.000 0.814 371 A HN 0.372 nan 8.150 nan 0.000 0.446 372 R N -0.491 119.980 120.500 -0.049 0.000 2.070 372 R HA -0.164 4.190 4.340 0.024 0.000 0.233 372 R C 2.364 178.637 176.300 -0.046 0.000 1.137 372 R CA 1.829 57.909 56.100 -0.033 0.000 0.945 372 R CB -0.338 29.952 30.300 -0.017 0.000 0.845 372 R HN 0.692 nan 8.270 nan 0.000 0.430 373 Q N -0.232 119.531 119.800 -0.062 0.000 2.119 373 Q HA -0.105 4.250 4.340 0.024 0.000 0.201 373 Q C 2.203 178.141 176.000 -0.102 0.000 0.972 373 Q CA 1.518 57.288 55.803 -0.055 0.000 0.847 373 Q CB 0.084 28.803 28.738 -0.032 0.000 0.903 373 Q HN 0.231 nan 8.270 nan 0.000 0.433 374 V N 1.381 121.158 119.914 -0.230 0.000 2.343 374 V HA -0.268 3.866 4.120 0.024 0.000 0.247 374 V C 2.222 178.245 176.094 -0.118 0.000 1.051 374 V CA 2.104 64.224 62.300 -0.301 0.000 1.036 374 V CB -0.550 30.971 31.823 -0.503 0.000 0.654 374 V HN 0.429 nan 8.190 nan 0.000 0.451 375 E N 0.474 120.625 120.200 -0.081 0.000 2.110 375 E HA -0.212 4.152 4.350 0.024 0.000 0.193 375 E C 2.056 178.651 176.600 -0.008 0.000 0.988 375 E CA 1.286 57.669 56.400 -0.028 0.000 0.804 375 E CB -0.217 29.478 29.700 -0.009 0.000 0.745 375 E HN 0.580 nan 8.360 nan 0.000 0.458 376 A N 0.483 123.298 122.820 -0.010 0.000 2.168 376 A HA -0.007 4.327 4.320 0.024 0.000 0.215 376 A C 1.938 179.534 177.584 0.020 0.000 1.152 376 A CA 0.398 52.440 52.037 0.008 0.000 0.716 376 A CB -0.218 18.787 19.000 0.009 0.000 0.794 376 A HN 0.336 nan 8.150 nan 0.000 0.465 377 L N -0.287 120.949 121.223 0.021 0.000 2.509 377 L HA 0.176 4.531 4.340 0.024 0.000 0.222 377 L C 0.055 176.949 176.870 0.042 0.000 1.123 377 L CA -0.147 54.721 54.840 0.048 0.000 0.856 377 L CB -0.067 42.044 42.059 0.087 0.000 0.985 377 L HN 0.299 nan 8.230 nan 0.000 0.456 378 L N 0.926 122.165 121.223 0.026 0.000 2.477 378 L HA 0.101 4.456 4.340 0.024 0.000 0.272 378 L C 0.586 177.469 176.870 0.022 0.000 1.157 378 L CA 0.174 55.028 54.840 0.022 0.000 0.889 378 L CB 0.315 42.383 42.059 0.014 0.000 1.158 378 L HN 0.174 nan 8.230 nan 0.000 0.473 379 T N -0.180 114.387 114.554 0.022 0.000 2.907 379 T HA 0.437 4.802 4.350 0.024 0.000 0.290 379 T C -2.268 172.440 174.700 0.013 0.000 1.066 379 T CA -2.005 60.106 62.100 0.018 0.000 1.012 379 T CB 2.136 71.017 68.868 0.022 0.000 1.184 379 T HN 0.187 nan 8.240 nan 0.000 0.522 380 P HA 0.055 nan 4.420 nan 0.000 0.231 380 P C 0.650 177.954 177.300 0.007 0.000 1.158 380 P CA 0.748 63.849 63.100 0.001 0.000 0.763 380 P CB -0.043 31.654 31.700 -0.004 0.000 0.805 381 N N -1.646 117.063 118.700 0.015 0.000 2.214 381 N HA 0.038 4.792 4.740 0.024 0.000 0.214 381 N C -0.467 175.066 175.510 0.037 0.000 1.132 381 N CA 0.145 53.209 53.050 0.023 0.000 0.856 381 N CB 0.040 38.539 38.487 0.020 0.000 1.020 381 N HN -0.132 nan 8.380 nan 0.000 0.509 382 T N -0.399 114.176 114.554 0.034 0.000 2.902 382 T HA 0.441 4.806 4.350 0.024 0.000 0.283 382 T C -0.495 174.224 174.700 0.032 0.000 1.009 382 T CA -0.248 61.875 62.100 0.039 0.000 1.051 382 T CB 1.658 70.545 68.868 0.031 0.000 0.999 382 T HN -0.089 nan 8.240 nan 0.000 0.474 383 T N 2.204 116.774 114.554 0.027 0.000 2.841 383 T HA 0.484 4.849 4.350 0.024 0.000 0.285 383 T C -0.471 174.173 174.700 -0.093 0.000 0.991 383 T CA -0.520 61.550 62.100 -0.051 0.000 0.966 383 T CB 1.182 69.987 68.868 -0.106 0.000 0.962 383 T HN 0.326 nan 8.240 nan 0.000 0.438 384 V N 5.123 124.969 119.914 -0.114 0.000 2.350 384 V HA 0.382 4.517 4.120 0.024 0.000 0.276 384 V C -0.051 175.950 176.094 -0.155 0.000 1.028 384 V CA -0.921 61.320 62.300 -0.098 0.000 0.860 384 V CB 0.968 32.745 31.823 -0.077 0.000 0.990 384 V HN 0.727 nan 8.190 nan 0.000 0.453 385 I N 4.576 125.068 120.570 -0.129 0.000 2.312 385 I HA 0.496 4.681 4.170 0.024 0.000 0.291 385 I C 0.583 176.720 176.117 0.033 0.000 1.031 385 I CA -0.054 61.188 61.300 -0.097 0.000 1.293 385 I CB 1.052 38.926 38.000 -0.210 0.000 1.403 385 I HN 0.670 nan 8.210 nan 0.000 0.484 386 A N 5.879 128.787 122.820 0.147 0.000 2.273 386 A HA 0.513 4.847 4.320 0.024 0.000 0.315 386 A C 0.026 177.938 177.584 0.548 0.000 1.256 386 A CA -0.590 51.606 52.037 0.266 0.000 0.851 386 A CB 0.700 19.804 19.000 0.173 0.000 1.172 386 A HN 0.655 nan 8.150 nan 0.000 0.508 387 E N 1.755 122.197 120.200 0.403 0.000 2.390 387 E HA 0.332 4.696 4.350 0.024 0.000 0.261 387 E C 0.154 176.841 176.600 0.145 0.000 1.076 387 E CA 0.198 56.823 56.400 0.376 0.000 0.905 387 E CB 0.503 30.322 29.700 0.199 0.000 0.984 387 E HN 0.557 nan 8.360 nan 0.000 0.427 388 T N 2.679 117.196 114.554 -0.062 0.000 2.934 388 T HA 0.474 4.839 4.350 0.024 0.000 0.306 388 T C 0.283 174.595 174.700 -0.648 0.000 1.042 388 T CA 0.883 62.445 62.100 -0.897 0.000 1.145 388 T CB -0.015 68.535 68.868 -0.530 0.000 0.982 388 T HN 0.747 nan 8.240 nan 0.000 0.544 389 G N 2.957 111.266 108.800 -0.818 0.000 2.316 389 G HA2 -0.076 3.898 3.960 0.024 0.000 0.349 389 G HA3 -0.076 3.898 3.960 0.024 0.000 0.349 389 G C 0.211 175.071 174.900 -0.067 0.000 1.274 389 G CA -0.084 44.842 45.100 -0.290 0.000 1.018 389 G HN 0.540 nan 8.290 nan 0.000 0.486 390 D N -0.177 120.269 120.400 0.077 0.000 2.310 390 D HA 0.029 4.684 4.640 0.024 0.000 0.212 390 D C 2.455 178.910 176.300 0.257 0.000 0.965 390 D CA 1.790 55.925 54.000 0.225 0.000 0.879 390 D CB -0.043 40.828 40.800 0.119 0.000 0.921 390 D HN 0.280 nan 8.370 nan 0.000 0.510 391 S N -0.432 115.366 115.700 0.163 0.000 2.419 391 S HA -0.141 4.344 4.470 0.024 0.000 0.233 391 S C 1.399 176.202 174.600 0.338 0.000 1.016 391 S CA 0.440 58.760 58.200 0.200 0.000 0.974 391 S CB -0.234 63.062 63.200 0.161 0.000 0.786 391 S HN 0.451 nan 8.310 nan 0.000 0.492 392 W N 1.352 122.699 121.300 0.079 0.000 2.317 392 W HA -0.079 4.594 4.660 0.022 0.000 0.318 392 W C 1.819 178.263 176.519 -0.123 0.000 1.227 392 W CA 0.557 57.844 57.345 -0.097 0.000 1.269 392 W CB -1.381 27.744 29.460 -0.557 0.000 1.155 392 W HN 0.343 nan 8.180 nan 0.000 0.484 393 F N 0.161 120.301 119.950 0.317 0.000 2.234 393 F HA -0.143 4.399 4.527 0.024 0.000 0.296 393 F C 2.233 178.139 175.800 0.175 0.000 1.089 393 F CA 1.198 59.323 58.000 0.209 0.000 1.343 393 F CB -1.215 37.833 39.000 0.080 0.000 1.040 393 F HN -0.176 nan 8.300 nan 0.000 0.498 394 N N 0.741 119.626 118.700 0.308 0.000 2.069 394 N HA -0.181 4.573 4.740 0.024 0.000 0.191 394 N C 2.074 177.683 175.510 0.164 0.000 1.031 394 N CA 1.551 54.712 53.050 0.186 0.000 0.852 394 N CB -0.747 37.812 38.487 0.120 0.000 1.018 394 N HN 0.288 nan 8.380 nan 0.000 0.423 395 A N 0.848 123.779 122.820 0.184 0.000 1.902 395 A HA -0.190 4.145 4.320 0.024 0.000 0.217 395 A C 2.217 179.903 177.584 0.169 0.000 1.181 395 A CA 1.592 53.710 52.037 0.135 0.000 0.623 395 A CB -0.694 18.368 19.000 0.103 0.000 0.818 395 A HN 0.256 nan 8.150 nan 0.000 0.443 396 Q N 0.020 119.974 119.800 0.255 0.000 2.181 396 Q HA -0.117 4.237 4.340 0.024 0.000 0.205 396 Q C 1.894 178.095 176.000 0.335 0.000 0.980 396 Q CA 1.736 57.698 55.803 0.266 0.000 0.862 396 Q CB -0.276 28.627 28.738 0.275 0.000 0.905 396 Q HN 0.681 nan 8.270 nan 0.000 0.429 397 R N -1.066 119.605 120.500 0.285 0.000 2.313 397 R HA 0.171 4.526 4.340 0.024 0.000 0.199 397 R C 0.015 176.433 176.300 0.196 0.000 0.958 397 R CA -0.001 56.243 56.100 0.240 0.000 1.047 397 R CB 0.094 30.471 30.300 0.127 0.000 0.955 397 R HN 0.273 nan 8.270 nan 0.000 0.481 398 M N 1.205 120.913 119.600 0.179 0.000 2.180 398 M HA 0.152 4.647 4.480 0.024 0.000 0.358 398 M C -0.043 176.348 176.300 0.152 0.000 1.233 398 M CA -0.518 54.855 55.300 0.121 0.000 1.114 398 M CB 1.339 33.978 32.600 0.064 0.000 1.594 398 M HN -0.324 nan 8.290 nan 0.000 0.467 399 K N 3.770 124.250 120.400 0.133 0.000 2.297 399 K HA 0.394 4.728 4.320 0.024 0.000 0.286 399 K C -1.382 175.267 176.600 0.082 0.000 1.053 399 K CA 0.049 56.421 56.287 0.142 0.000 0.940 399 K CB 0.364 32.942 32.500 0.131 0.000 1.019 399 K HN 0.620 nan 8.250 nan 0.000 0.475 400 L N 7.798 129.059 121.223 0.064 0.000 2.264 400 L HA 0.415 4.770 4.340 0.024 0.000 0.289 400 L C -1.979 174.895 176.870 0.006 0.000 1.044 400 L CA -2.461 52.389 54.840 0.017 0.000 0.807 400 L CB 1.296 43.346 42.059 -0.015 0.000 1.192 400 L HN 0.583 nan 8.230 nan 0.000 0.425 401 P HA 0.009 nan 4.420 nan 0.000 0.267 401 P C -0.720 176.566 177.300 -0.023 0.000 1.200 401 P CA -0.305 62.794 63.100 -0.002 0.000 0.772 401 P CB 0.345 32.047 31.700 0.002 0.000 0.855 402 N N 1.383 120.061 118.700 -0.036 0.000 2.411 402 N HA 0.247 5.002 4.740 0.024 0.000 0.261 402 N C 1.569 177.052 175.510 -0.044 0.000 1.248 402 N CA 1.740 54.755 53.050 -0.059 0.000 0.885 402 N CB -0.254 38.191 38.487 -0.071 0.000 1.062 402 N HN 0.737 nan 8.380 nan 0.000 0.471 403 G N 0.266 109.039 108.800 -0.046 0.000 2.284 403 G HA2 -0.194 3.781 3.960 0.024 0.000 0.216 403 G HA3 -0.194 3.781 3.960 0.024 0.000 0.216 403 G C 0.237 175.131 174.900 -0.010 0.000 1.009 403 G CA 0.049 45.133 45.100 -0.028 0.000 0.625 403 G HN 0.889 nan 8.290 nan 0.000 0.501 404 A N 1.147 123.960 122.820 -0.012 0.000 2.462 404 A HA 0.681 5.015 4.320 0.024 0.000 0.243 404 A C 0.599 178.179 177.584 -0.007 0.000 1.076 404 A CA 0.368 52.402 52.037 -0.005 0.000 0.773 404 A CB 0.319 19.314 19.000 -0.008 0.000 1.010 404 A HN 0.422 nan 8.150 nan 0.000 0.493 405 R N 0.954 121.452 120.500 -0.004 0.000 2.711 405 R HA 0.627 4.982 4.340 0.024 0.000 0.284 405 R C -1.346 174.908 176.300 -0.077 0.000 0.968 405 R CA -0.723 55.374 56.100 -0.006 0.000 0.924 405 R CB 1.607 31.934 30.300 0.045 0.000 1.162 405 R HN 0.425 nan 8.270 nan 0.000 0.465 406 V N 2.274 122.115 119.914 -0.121 0.000 2.555 406 V HA 0.318 4.452 4.120 0.024 0.000 0.302 406 V C -0.234 175.701 176.094 -0.265 0.000 1.038 406 V CA -0.824 61.318 62.300 -0.265 0.000 0.887 406 V CB 2.216 33.791 31.823 -0.412 0.000 0.991 406 V HN 0.530 nan 8.190 nan 0.000 0.434 407 E N 3.310 123.358 120.200 -0.254 0.000 2.145 407 E HA 0.482 4.846 4.350 0.024 0.000 0.270 407 E C -1.594 174.987 176.600 -0.031 0.000 0.906 407 E CA -0.412 55.946 56.400 -0.070 0.000 0.761 407 E CB 2.037 31.759 29.700 0.037 0.000 1.116 407 E HN 0.525 nan 8.360 nan 0.000 0.408 408 Y N 0.459 120.740 120.300 -0.031 0.000 2.468 408 Y HA 0.221 4.785 4.550 0.024 0.000 0.342 408 Y C 0.800 176.451 175.900 -0.416 0.000 1.021 408 Y CA -0.891 57.088 58.100 -0.202 0.000 1.079 408 Y CB 1.704 39.920 38.460 -0.406 0.000 1.226 408 Y HN 0.416 nan 8.280 nan 0.000 0.460 409 E N 3.483 123.416 120.200 -0.446 0.000 3.269 409 E HA 0.191 4.555 4.350 0.024 0.000 0.221 409 E C 0.256 176.747 176.600 -0.183 0.000 1.113 409 E CA 0.055 56.083 56.400 -0.621 0.000 1.385 409 E CB 0.121 28.919 29.700 -1.504 0.000 1.345 409 E HN 0.827 nan 8.360 nan 0.000 0.435 410 M N 0.344 119.788 119.600 -0.261 0.000 2.562 410 M HA -0.089 4.406 4.480 0.024 0.000 0.257 410 M C 1.901 178.147 176.300 -0.090 0.000 1.099 410 M CA 0.871 55.963 55.300 -0.347 0.000 1.099 410 M CB 0.257 32.301 32.600 -0.928 0.000 1.427 410 M HN 0.152 nan 8.290 nan 0.000 0.489 411 Q N 0.021 119.799 119.800 -0.036 0.000 2.107 411 Q HA -0.099 4.255 4.340 0.024 0.000 0.195 411 Q C 1.784 177.898 176.000 0.190 0.000 0.964 411 Q CA 1.530 57.364 55.803 0.051 0.000 0.833 411 Q CB -0.287 28.483 28.738 0.055 0.000 0.910 411 Q HN 0.622 nan 8.270 nan 0.000 0.465 412 W N 0.443 121.733 121.300 -0.016 0.000 2.444 412 W HA 0.084 4.754 4.660 0.017 0.000 0.308 412 W C 0.560 177.128 176.519 0.082 0.000 1.183 412 W CA 1.416 58.788 57.345 0.045 0.000 1.340 412 W CB -0.027 29.476 29.460 0.072 0.000 1.138 412 W HN 0.381 nan 8.180 nan 0.000 0.510 413 G N 1.323 110.257 108.800 0.223 0.000 2.295 413 G HA2 -0.325 3.650 3.960 0.024 0.000 0.287 413 G HA3 -0.325 3.650 3.960 0.024 0.000 0.287 413 G C -0.194 174.744 174.900 0.064 0.000 1.055 413 G CA 0.356 45.572 45.100 0.194 0.000 0.922 413 G HN 0.570 nan 8.290 nan 0.000 0.503 414 H N 0.877 119.968 119.070 0.034 0.000 2.934 414 H HA 0.369 4.939 4.556 0.023 0.000 0.273 414 H C 1.449 176.817 175.328 0.067 0.000 1.121 414 H CA -0.155 55.925 56.048 0.054 0.000 1.451 414 H CB 0.051 30.014 29.762 0.335 0.000 1.469 414 H HN 0.635 nan 8.280 nan 0.000 0.476 415 I N 1.276 121.842 120.570 -0.006 0.000 2.752 415 I HA 0.206 4.390 4.170 0.024 0.000 0.287 415 I C 1.207 177.452 176.117 0.213 0.000 1.188 415 I CA 0.844 62.175 61.300 0.053 0.000 1.427 415 I CB 0.560 38.501 38.000 -0.099 0.000 1.365 415 I HN 0.747 nan 8.210 nan 0.000 0.585 416 G N 4.640 113.551 108.800 0.185 0.000 2.234 416 G HA2 -0.341 3.634 3.960 0.024 0.000 0.235 416 G HA3 -0.341 3.634 3.960 0.024 0.000 0.235 416 G C 0.416 175.351 174.900 0.058 0.000 0.997 416 G CA 0.492 45.686 45.100 0.156 0.000 0.623 416 G HN 1.103 nan 8.290 nan 0.000 0.514 417 W N 2.832 123.995 121.300 -0.227 0.000 2.305 417 W HA -0.183 4.491 4.660 0.024 0.000 0.308 417 W C 2.579 178.933 176.519 -0.275 0.000 1.226 417 W CA 3.669 60.605 57.345 -0.681 0.000 1.253 417 W CB -0.591 28.471 29.460 -0.663 0.000 1.146 417 W HN 0.728 nan 8.180 nan 0.000 0.507 418 S N -0.167 115.304 115.700 -0.383 0.000 2.399 418 S HA -0.218 4.267 4.470 0.024 0.000 0.231 418 S C 1.685 175.993 174.600 -0.487 0.000 1.022 418 S CA 1.697 59.447 58.200 -0.750 0.000 0.983 418 S CB -1.061 62.038 63.200 -0.168 0.000 0.803 418 S HN 0.205 nan 8.310 nan 0.000 0.480 419 V N 3.454 123.226 119.914 -0.237 0.000 2.255 419 V HA -0.014 4.120 4.120 0.024 0.000 0.243 419 V C -0.174 175.865 176.094 -0.092 0.000 1.038 419 V CA 1.672 63.912 62.300 -0.099 0.000 1.008 419 V CB -1.525 30.263 31.823 -0.058 0.000 0.645 419 V HN 0.417 nan 8.190 nan 0.000 0.449 420 P HA -0.084 nan 4.420 nan 0.000 0.219 420 P C 1.577 178.856 177.300 -0.036 0.000 1.150 420 P CA 1.919 65.031 63.100 0.019 0.000 0.814 420 P CB 0.004 31.755 31.700 0.086 0.000 0.787 421 A N 0.928 123.560 122.820 -0.313 0.000 1.902 421 A HA -0.063 4.272 4.320 0.024 0.000 0.217 421 A C 2.507 179.967 177.584 -0.207 0.000 1.181 421 A CA 2.156 53.968 52.037 -0.376 0.000 0.623 421 A CB -1.547 16.811 19.000 -1.070 0.000 0.818 421 A HN 0.218 nan 8.150 nan 0.000 0.443 422 A N -1.068 121.609 122.820 -0.239 0.000 1.933 422 A HA -0.028 4.306 4.320 0.024 0.000 0.218 422 A C 2.014 179.650 177.584 0.087 0.000 1.175 422 A CA 1.638 53.630 52.037 -0.075 0.000 0.628 422 A CB -0.711 18.242 19.000 -0.079 0.000 0.814 422 A HN 0.717 nan 8.150 nan 0.000 0.444 423 F N 1.275 121.202 119.950 -0.038 0.000 2.046 423 F HA -0.055 4.486 4.527 0.023 0.000 0.297 423 F C 2.308 178.149 175.800 0.069 0.000 1.123 423 F CA 1.676 59.685 58.000 0.015 0.000 1.199 423 F CB -0.967 38.028 39.000 -0.007 0.000 0.972 423 F HN 0.178 nan 8.300 nan 0.000 0.474 424 G N -1.284 107.382 108.800 -0.224 0.000 2.440 424 G HA2 -0.366 3.609 3.960 0.024 0.000 0.218 424 G HA3 -0.366 3.609 3.960 0.024 0.000 0.218 424 G C 1.666 176.566 174.900 0.001 0.000 1.154 424 G CA 1.011 45.962 45.100 -0.248 0.000 0.767 424 G HN 0.526 nan 8.290 nan 0.000 0.552 425 Y N 1.885 122.130 120.300 -0.092 0.000 2.145 425 Y HA -0.024 4.540 4.550 0.023 0.000 0.286 425 Y C 2.959 178.797 175.900 -0.104 0.000 1.145 425 Y CA 1.608 59.658 58.100 -0.084 0.000 1.148 425 Y CB -0.276 38.145 38.460 -0.065 0.000 0.981 425 Y HN 0.249 nan 8.280 nan 0.000 0.507 426 A N -1.019 121.854 122.820 0.089 0.000 1.972 426 A HA -0.126 4.209 4.320 0.024 0.000 0.219 426 A C 2.283 179.800 177.584 -0.111 0.000 1.169 426 A CA 1.717 53.769 52.037 0.025 0.000 0.635 426 A CB -1.188 17.857 19.000 0.075 0.000 0.810 426 A HN 0.342 nan 8.150 nan 0.000 0.446 427 V N -0.477 119.313 119.914 -0.206 0.000 2.515 427 V HA -0.132 4.003 4.120 0.024 0.000 0.250 427 V C 2.607 178.537 176.094 -0.273 0.000 1.058 427 V CA 1.913 64.040 62.300 -0.288 0.000 1.064 427 V CB -0.888 30.684 31.823 -0.418 0.000 0.675 427 V HN 0.617 nan 8.190 nan 0.000 0.461 428 G N -1.060 107.565 108.800 -0.291 0.000 2.603 428 G HA2 0.273 4.248 3.960 0.024 0.000 0.214 428 G HA3 0.273 4.248 3.960 0.024 0.000 0.214 428 G C 0.720 175.360 174.900 -0.433 0.000 1.140 428 G CA 0.749 45.529 45.100 -0.533 0.000 0.800 428 G HN 0.628 nan 8.290 nan 0.000 0.533 429 A N 0.476 123.056 122.820 -0.400 0.000 3.308 429 A HA 0.636 4.971 4.320 0.024 0.000 0.275 429 A C -1.582 175.920 177.584 -0.137 0.000 0.950 429 A CA -0.716 51.136 52.037 -0.308 0.000 0.987 429 A CB 0.949 19.651 19.000 -0.497 0.000 1.146 429 A HN 0.045 nan 8.150 nan 0.000 0.488 430 P HA -0.167 nan 4.420 nan 0.000 0.222 430 P C 1.307 178.602 177.300 -0.009 0.000 1.147 430 P CA 1.222 64.303 63.100 -0.031 0.000 0.790 430 P CB 0.240 31.929 31.700 -0.018 0.000 0.780 431 E N 0.532 120.720 120.200 -0.020 0.000 2.418 431 E HA -0.100 4.265 4.350 0.024 0.000 0.197 431 E C 0.500 177.106 176.600 0.010 0.000 1.026 431 E CA 0.544 56.940 56.400 -0.006 0.000 0.862 431 E CB -0.268 29.422 29.700 -0.016 0.000 0.799 431 E HN 0.277 nan 8.360 nan 0.000 0.518 432 R N 0.953 121.466 120.500 0.022 0.000 2.532 432 R HA 0.342 4.696 4.340 0.024 0.000 0.272 432 R C 0.300 176.638 176.300 0.064 0.000 1.032 432 R CA -0.759 55.373 56.100 0.053 0.000 1.089 432 R CB 1.128 31.488 30.300 0.101 0.000 1.098 432 R HN -0.024 nan 8.270 nan 0.000 0.526 433 R N 2.317 122.854 120.500 0.062 0.000 2.291 433 R HA 0.043 4.398 4.340 0.024 0.000 0.333 433 R C -0.908 175.437 176.300 0.075 0.000 1.082 433 R CA -0.087 56.050 56.100 0.062 0.000 0.948 433 R CB 0.157 30.490 30.300 0.055 0.000 1.009 433 R HN 0.486 nan 8.270 nan 0.000 0.460 434 N N 6.147 124.894 118.700 0.079 0.000 2.437 434 N HA 0.250 5.005 4.740 0.024 0.000 0.259 434 N C -0.642 174.901 175.510 0.055 0.000 0.983 434 N CA -0.215 52.882 53.050 0.078 0.000 0.937 434 N CB 1.467 40.026 38.487 0.120 0.000 1.122 434 N HN 0.514 nan 8.380 nan 0.000 0.499 435 I N 2.136 122.735 120.570 0.049 0.000 2.404 435 I HA 0.302 4.487 4.170 0.024 0.000 0.293 435 I C -0.476 175.683 176.117 0.069 0.000 0.992 435 I CA -0.997 60.362 61.300 0.098 0.000 1.149 435 I CB 1.862 39.972 38.000 0.183 0.000 1.315 435 I HN 0.176 nan 8.210 nan 0.000 0.446 436 L N 7.510 128.789 121.223 0.092 0.000 2.325 436 L HA 0.545 4.899 4.340 0.024 0.000 0.281 436 L C -0.977 175.989 176.870 0.160 0.000 1.004 436 L CA -0.199 54.683 54.840 0.071 0.000 0.823 436 L CB 1.373 43.450 42.059 0.030 0.000 1.236 436 L HN 0.568 nan 8.230 nan 0.000 0.415 437 M N 6.138 125.824 119.600 0.145 0.000 2.047 437 M HA 0.469 4.963 4.480 0.024 0.000 0.342 437 M C -1.341 175.032 176.300 0.120 0.000 1.058 437 M CA -0.473 54.923 55.300 0.160 0.000 0.991 437 M CB 1.459 34.132 32.600 0.123 0.000 1.474 437 M HN 0.530 nan 8.290 nan 0.000 0.419 438 V N 3.828 123.795 119.914 0.089 0.000 2.760 438 V HA 0.845 4.979 4.120 0.024 0.000 0.309 438 V C -0.051 176.044 176.094 0.003 0.000 1.077 438 V CA -0.346 61.998 62.300 0.073 0.000 0.910 438 V CB 2.181 34.078 31.823 0.123 0.000 1.008 438 V HN 0.868 nan 8.190 nan 0.000 0.424 439 G N 3.470 112.273 108.800 0.005 0.000 2.539 439 G HA2 0.302 4.277 3.960 0.024 0.000 0.258 439 G HA3 0.302 4.277 3.960 0.024 0.000 0.258 439 G C 0.654 175.495 174.900 -0.099 0.000 1.202 439 G CA 0.412 45.484 45.100 -0.046 0.000 0.851 439 G HN 0.958 nan 8.290 nan 0.000 0.556 440 D N 0.563 120.839 120.400 -0.207 0.000 2.123 440 D HA -0.128 4.527 4.640 0.024 0.000 0.196 440 D C 2.217 178.462 176.300 -0.091 0.000 0.992 440 D CA 1.513 55.300 54.000 -0.354 0.000 0.833 440 D CB -1.000 39.575 40.800 -0.374 0.000 0.954 440 D HN 0.480 nan 8.370 nan 0.000 0.455 441 G N 0.108 108.936 108.800 0.048 0.000 2.418 441 G HA2 -0.250 3.724 3.960 0.024 0.000 0.217 441 G HA3 -0.250 3.724 3.960 0.024 0.000 0.217 441 G C 1.868 176.873 174.900 0.174 0.000 1.158 441 G CA 1.176 46.418 45.100 0.238 0.000 0.771 441 G HN 0.382 nan 8.290 nan 0.000 0.545 442 S N 0.111 115.871 115.700 0.100 0.000 2.371 442 S HA -0.023 4.461 4.470 0.024 0.000 0.224 442 S C 1.869 176.536 174.600 0.112 0.000 1.029 442 S CA 0.686 58.933 58.200 0.079 0.000 0.978 442 S CB -0.357 62.883 63.200 0.067 0.000 0.833 442 S HN 0.365 nan 8.310 nan 0.000 0.466 443 F N 2.705 122.630 119.950 -0.043 0.000 2.154 443 F HA -0.204 4.338 4.527 0.025 0.000 0.301 443 F C 2.324 178.136 175.800 0.020 0.000 1.087 443 F CA 1.560 59.545 58.000 -0.024 0.000 1.274 443 F CB -0.390 38.541 39.000 -0.114 0.000 1.009 443 F HN 0.222 nan 8.300 nan 0.000 0.485 444 Q N -0.351 119.437 119.800 -0.019 0.000 2.291 444 Q HA -0.173 4.182 4.340 0.024 0.000 0.205 444 Q C 2.085 178.137 176.000 0.086 0.000 0.970 444 Q CA 1.273 57.000 55.803 -0.126 0.000 0.876 444 Q CB -0.235 28.322 28.738 -0.303 0.000 0.935 444 Q HN 0.418 nan 8.270 nan 0.000 0.455 445 L N -0.222 121.048 121.223 0.078 0.000 2.141 445 L HA -0.108 4.247 4.340 0.024 0.000 0.209 445 L C 2.008 178.950 176.870 0.119 0.000 1.094 445 L CA 1.763 56.683 54.840 0.133 0.000 0.763 445 L CB -0.106 42.054 42.059 0.168 0.000 0.908 445 L HN 0.277 nan 8.230 nan 0.000 0.437 446 T N -5.785 108.783 114.554 0.023 0.000 3.262 446 T HA 0.378 4.742 4.350 0.024 0.000 0.300 446 T C 1.516 176.123 174.700 -0.156 0.000 0.959 446 T CA 0.210 62.306 62.100 -0.008 0.000 0.936 446 T CB 0.132 69.018 68.868 0.030 0.000 1.169 446 T HN 0.062 nan 8.240 nan 0.000 0.532 447 A N 2.918 125.569 122.820 -0.281 0.000 1.971 447 A HA -0.262 4.072 4.320 0.024 0.000 0.222 447 A C 2.482 179.963 177.584 -0.171 0.000 1.182 447 A CA 2.099 53.802 52.037 -0.555 0.000 0.649 447 A CB -0.690 18.133 19.000 -0.295 0.000 0.818 447 A HN 0.727 nan 8.150 nan 0.000 0.458 448 Q N -0.682 119.072 119.800 -0.076 0.000 2.291 448 Q HA -0.208 4.146 4.340 0.024 0.000 0.206 448 Q C 1.316 177.036 176.000 -0.468 0.000 0.976 448 Q CA 1.766 57.416 55.803 -0.254 0.000 0.875 448 Q CB -0.487 28.186 28.738 -0.108 0.000 0.927 448 Q HN 0.595 nan 8.270 nan 0.000 0.450 449 E N 0.943 120.956 120.200 -0.312 0.000 2.409 449 E HA -0.045 4.320 4.350 0.024 0.000 0.198 449 E C 1.873 178.222 176.600 -0.418 0.000 1.024 449 E CA 0.417 56.596 56.400 -0.369 0.000 0.861 449 E CB -0.120 29.435 29.700 -0.242 0.000 0.788 449 E HN 0.236 nan 8.360 nan 0.000 0.521 450 V N 0.270 119.998 119.914 -0.309 0.000 2.490 450 V HA -0.289 3.846 4.120 0.024 0.000 0.250 450 V C 2.236 178.146 176.094 -0.306 0.000 1.061 450 V CA 1.653 63.866 62.300 -0.145 0.000 1.064 450 V CB -0.807 31.136 31.823 0.199 0.000 0.670 450 V HN 0.387 nan 8.190 nan 0.000 0.461 451 A N -0.599 121.761 122.820 -0.767 0.000 1.978 451 A HA -0.249 4.086 4.320 0.024 0.000 0.220 451 A C 2.175 179.565 177.584 -0.324 0.000 1.170 451 A CA 1.606 53.275 52.037 -0.613 0.000 0.636 451 A CB -0.344 18.145 19.000 -0.852 0.000 0.810 451 A HN 0.561 nan 8.150 nan 0.000 0.448 452 Q N -0.785 118.745 119.800 -0.450 0.000 2.187 452 Q HA -0.011 4.343 4.340 0.024 0.000 0.199 452 Q C 2.101 177.953 176.000 -0.246 0.000 0.957 452 Q CA 1.243 56.760 55.803 -0.477 0.000 0.857 452 Q CB -0.467 27.639 28.738 -1.053 0.000 0.929 452 Q HN 0.798 nan 8.270 nan 0.000 0.453 453 M N -0.046 119.446 119.600 -0.179 0.000 2.117 453 M HA -0.154 4.341 4.480 0.024 0.000 0.262 453 M C 2.263 178.627 176.300 0.107 0.000 1.065 453 M CA 1.206 56.592 55.300 0.142 0.000 1.114 453 M CB -0.429 32.261 32.600 0.149 0.000 1.361 453 M HN -0.040 nan 8.290 nan 0.000 0.408 454 V N 0.199 120.144 119.914 0.051 0.000 2.287 454 V HA -0.292 3.842 4.120 0.024 0.000 0.248 454 V C 2.414 178.550 176.094 0.071 0.000 1.053 454 V CA 2.033 64.377 62.300 0.075 0.000 1.027 454 V CB -0.886 30.993 31.823 0.093 0.000 0.646 454 V HN 0.474 nan 8.190 nan 0.000 0.447 455 R N -0.042 120.486 120.500 0.046 0.000 2.096 455 R HA -0.133 4.221 4.340 0.024 0.000 0.240 455 R C 1.848 178.204 176.300 0.094 0.000 1.139 455 R CA 1.664 57.800 56.100 0.061 0.000 0.952 455 R CB -0.181 30.141 30.300 0.037 0.000 0.854 455 R HN 0.460 nan 8.270 nan 0.000 0.436 456 L N 0.927 122.232 121.223 0.136 0.000 2.653 456 L HA 0.165 4.519 4.340 0.024 0.000 0.231 456 L C -0.091 176.848 176.870 0.115 0.000 1.153 456 L CA 0.057 54.982 54.840 0.143 0.000 0.933 456 L CB 0.055 42.239 42.059 0.208 0.000 1.175 456 L HN 0.178 nan 8.230 nan 0.000 0.473 457 K N 0.908 121.370 120.400 0.103 0.000 3.148 457 K HA -0.169 4.165 4.320 0.024 0.000 0.267 457 K C -0.524 176.126 176.600 0.084 0.000 0.996 457 K CA 0.473 56.811 56.287 0.084 0.000 0.737 457 K CB -1.748 30.792 32.500 0.066 0.000 1.308 457 K HN 0.319 nan 8.250 nan 0.000 0.470 458 L N 0.662 121.950 121.223 0.107 0.000 2.276 458 L HA 0.268 4.622 4.340 0.024 0.000 0.286 458 L C -1.618 175.304 176.870 0.086 0.000 1.061 458 L CA -2.275 52.625 54.840 0.100 0.000 0.807 458 L CB 0.800 42.942 42.059 0.138 0.000 1.177 458 L HN -0.117 nan 8.230 nan 0.000 0.429 459 P HA 0.057 nan 4.420 nan 0.000 0.226 459 P C -0.188 177.140 177.300 0.046 0.000 1.758 459 P CA -0.087 63.043 63.100 0.051 0.000 0.896 459 P CB -0.134 31.591 31.700 0.042 0.000 1.784 460 V N 1.513 121.463 119.914 0.059 0.000 2.585 460 V HA 0.029 4.164 4.120 0.024 0.000 0.296 460 V C 0.982 177.077 176.094 0.001 0.000 1.035 460 V CA 0.067 62.396 62.300 0.049 0.000 1.084 460 V CB 0.262 32.131 31.823 0.078 0.000 0.953 460 V HN 0.178 nan 8.190 nan 0.000 0.483 461 I N 6.343 126.893 120.570 -0.033 0.000 2.312 461 I HA 0.374 4.558 4.170 0.024 0.000 0.291 461 I C -0.144 175.835 176.117 -0.230 0.000 1.031 461 I CA -0.001 61.206 61.300 -0.156 0.000 1.293 461 I CB 0.742 38.645 38.000 -0.161 0.000 1.403 461 I HN 0.443 nan 8.210 nan 0.000 0.484 462 I N 6.606 127.001 120.570 -0.291 0.000 2.330 462 I HA 0.272 4.456 4.170 0.024 0.000 0.289 462 I C -0.740 175.135 176.117 -0.402 0.000 1.001 462 I CA -0.458 60.709 61.300 -0.221 0.000 1.193 462 I CB 0.866 38.817 38.000 -0.082 0.000 1.345 462 I HN 0.357 nan 8.210 nan 0.000 0.461 463 F N 6.709 126.635 119.950 -0.040 0.000 2.335 463 F HA 0.239 4.781 4.527 0.024 0.000 0.365 463 F C 0.171 175.897 175.800 -0.124 0.000 1.122 463 F CA -0.515 57.446 58.000 -0.064 0.000 1.151 463 F CB 0.683 39.664 39.000 -0.032 0.000 1.282 463 F HN 0.306 nan 8.300 nan 0.000 0.513 464 L N 6.172 127.332 121.223 -0.105 0.000 2.295 464 L HA 0.332 4.687 4.340 0.024 0.000 0.288 464 L C -0.490 176.233 176.870 -0.244 0.000 1.079 464 L CA -0.316 54.348 54.840 -0.293 0.000 0.830 464 L CB 0.109 41.838 42.059 -0.551 0.000 1.200 464 L HN 0.346 nan 8.230 nan 0.000 0.438 465 I N 5.292 125.753 120.570 -0.180 0.000 2.329 465 I HA 0.091 4.275 4.170 0.024 0.000 0.295 465 I C 0.590 176.575 176.117 -0.221 0.000 1.109 465 I CA -0.078 61.138 61.300 -0.140 0.000 1.297 465 I CB -0.256 37.711 38.000 -0.055 0.000 1.433 465 I HN 0.520 nan 8.210 nan 0.000 0.509 466 N N 6.483 125.010 118.700 -0.288 0.000 2.767 466 N HA 0.070 4.824 4.740 0.024 0.000 0.238 466 N C 0.411 175.856 175.510 -0.109 0.000 1.083 466 N CA -0.203 52.676 53.050 -0.285 0.000 0.964 466 N CB 0.167 38.353 38.487 -0.501 0.000 1.252 466 N HN 0.444 nan 8.380 nan 0.000 0.512 467 N N 2.769 121.459 118.700 -0.017 0.000 2.273 467 N HA -0.008 4.747 4.740 0.024 0.000 0.231 467 N C -0.451 175.148 175.510 0.147 0.000 1.134 467 N CA -0.583 52.505 53.050 0.063 0.000 0.856 467 N CB -0.588 37.921 38.487 0.036 0.000 1.068 467 N HN 0.320 nan 8.380 nan 0.000 0.510 468 Y N 0.589 120.876 120.300 -0.023 0.000 3.027 468 Y HA -0.029 4.536 4.550 0.025 0.000 0.195 468 Y C 0.379 176.246 175.900 -0.055 0.000 1.381 468 Y CA 0.817 58.909 58.100 -0.013 0.000 1.015 468 Y CB -1.301 37.170 38.460 0.019 0.000 1.329 468 Y HN 0.707 nan 8.280 nan 0.000 0.462 469 G N 0.532 109.261 108.800 -0.118 0.000 2.346 469 G HA2 0.166 4.140 3.960 0.024 0.000 0.294 469 G HA3 0.166 4.140 3.960 0.024 0.000 0.294 469 G C -1.454 173.401 174.900 -0.075 0.000 1.294 469 G CA -0.643 44.290 45.100 -0.278 0.000 0.962 469 G HN 0.270 nan 8.290 nan 0.000 0.508 470 Y N 1.983 122.243 120.300 -0.066 0.000 2.636 470 Y HA 0.413 4.978 4.550 0.025 0.000 0.334 470 Y C 2.205 178.088 175.900 -0.027 0.000 1.286 470 Y CA -0.060 58.018 58.100 -0.036 0.000 1.688 470 Y CB -0.116 38.338 38.460 -0.009 0.000 1.662 470 Y HN 0.486 nan 8.280 nan 0.000 0.465 471 T N 1.543 116.163 114.554 0.109 0.000 2.746 471 T HA -0.214 4.151 4.350 0.024 0.000 0.267 471 T C 2.167 176.901 174.700 0.057 0.000 1.039 471 T CA 1.440 63.573 62.100 0.056 0.000 1.142 471 T CB -0.150 68.737 68.868 0.031 0.000 0.866 471 T HN 0.693 nan 8.240 nan 0.000 0.444 472 I N 0.637 121.242 120.570 0.059 0.000 2.264 472 I HA -0.197 3.987 4.170 0.024 0.000 0.248 472 I C 2.433 178.600 176.117 0.084 0.000 1.111 472 I CA 1.635 62.975 61.300 0.067 0.000 1.382 472 I CB -0.011 38.008 38.000 0.031 0.000 1.060 472 I HN 0.139 nan 8.210 nan 0.000 0.418 473 E N 0.115 120.368 120.200 0.088 0.000 2.072 473 E HA -0.144 4.221 4.350 0.024 0.000 0.190 473 E C 2.091 178.763 176.600 0.120 0.000 0.982 473 E CA 1.192 57.661 56.400 0.115 0.000 0.803 473 E CB -0.154 29.644 29.700 0.163 0.000 0.755 473 E HN 0.371 nan 8.360 nan 0.000 0.453 474 V N 0.573 120.543 119.914 0.093 0.000 2.392 474 V HA -0.259 3.875 4.120 0.024 0.000 0.249 474 V C 1.915 178.018 176.094 0.016 0.000 1.059 474 V CA 1.479 63.799 62.300 0.034 0.000 1.051 474 V CB -0.383 31.443 31.823 0.005 0.000 0.658 474 V HN 0.378 nan 8.190 nan 0.000 0.455 475 M N -1.636 117.979 119.600 0.025 0.000 2.556 475 M HA 0.180 4.674 4.480 0.024 0.000 0.245 475 M C 1.752 178.058 176.300 0.009 0.000 1.128 475 M CA 1.113 56.416 55.300 0.005 0.000 1.069 475 M CB -0.490 32.105 32.600 -0.009 0.000 1.469 475 M HN 0.316 nan 8.290 nan 0.000 0.494 476 I N -1.578 119.016 120.570 0.040 0.000 2.681 476 I HA -0.055 4.130 4.170 0.024 0.000 0.247 476 I C 0.395 176.586 176.117 0.124 0.000 1.091 476 I CA 0.550 61.871 61.300 0.035 0.000 1.442 476 I CB 0.282 38.304 38.000 0.037 0.000 1.219 476 I HN 0.226 nan 8.210 nan 0.000 0.451 477 H N 0.182 119.277 119.070 0.042 0.000 3.188 477 H HA 0.277 4.847 4.556 0.024 0.000 0.325 477 H C -1.549 173.862 175.328 0.139 0.000 1.033 477 H CA -0.831 55.260 56.048 0.072 0.000 1.443 477 H CB 0.934 30.739 29.762 0.072 0.000 1.968 477 H HN -0.073 nan 8.280 nan 0.000 0.449 478 D N 2.674 122.857 120.400 -0.362 0.000 2.264 478 D HA 0.617 5.272 4.640 0.024 0.000 0.249 478 D C 0.250 176.306 176.300 -0.406 0.000 1.070 478 D CA 0.921 54.764 54.000 -0.263 0.000 0.912 478 D CB 1.381 42.059 40.800 -0.203 0.000 1.193 478 D HN 0.844 nan 8.370 nan 0.000 0.427 479 G N 1.803 110.274 108.800 -0.548 0.000 2.495 479 G HA2 0.302 4.276 3.960 0.024 0.000 0.294 479 G HA3 0.302 4.276 3.960 0.024 0.000 0.294 479 G C -2.364 171.953 174.900 -0.972 0.000 1.397 479 G CA -0.862 43.660 45.100 -0.963 0.000 0.790 479 G HN 0.256 nan 8.290 nan 0.000 0.486 480 P HA -0.028 nan 4.420 nan 0.000 0.222 480 P C 1.125 178.235 177.300 -0.317 0.000 1.147 480 P CA 1.042 63.904 63.100 -0.397 0.000 0.790 480 P CB -0.146 31.424 31.700 -0.216 0.000 0.780 481 Y N -2.045 118.249 120.300 -0.010 0.000 2.616 481 Y HA 0.121 4.686 4.550 0.026 0.000 0.296 481 Y C 1.414 177.334 175.900 0.033 0.000 1.154 481 Y CA -0.006 58.109 58.100 0.025 0.000 1.325 481 Y CB -1.956 36.547 38.460 0.070 0.000 1.007 481 Y HN -0.090 nan 8.280 nan 0.000 0.542 482 N N 0.258 118.965 118.700 0.011 0.000 2.412 482 N HA -0.031 4.724 4.740 0.024 0.000 0.184 482 N C -0.633 174.657 175.510 -0.366 0.000 1.101 482 N CA 0.217 53.269 53.050 0.003 0.000 0.881 482 N CB -0.143 38.363 38.487 0.031 0.000 0.969 482 N HN 0.350 nan 8.380 nan 0.000 0.459 483 N N 1.196 119.688 118.700 -0.346 0.000 2.498 483 N HA 0.301 5.055 4.740 0.024 0.000 0.287 483 N C 0.211 175.465 175.510 -0.426 0.000 1.097 483 N CA -0.276 52.516 53.050 -0.430 0.000 0.973 483 N CB 1.802 40.092 38.487 -0.328 0.000 1.153 483 N HN 0.179 nan 8.380 nan 0.000 0.472 484 I N -2.580 117.714 120.570 -0.459 0.000 3.108 484 I HA 0.588 4.772 4.170 0.024 0.000 0.312 484 I C -0.165 175.922 176.117 -0.050 0.000 1.095 484 I CA -1.269 59.873 61.300 -0.264 0.000 1.000 484 I CB 1.888 39.704 38.000 -0.307 0.000 1.229 484 I HN 0.065 nan 8.210 nan 0.000 0.454 485 K N 3.112 123.555 120.400 0.072 0.000 2.349 485 K HA 0.178 4.512 4.320 0.024 0.000 0.289 485 K C -0.391 176.357 176.600 0.246 0.000 1.064 485 K CA 0.131 56.542 56.287 0.207 0.000 0.947 485 K CB 0.185 32.831 32.500 0.243 0.000 1.007 485 K HN 0.678 nan 8.250 nan 0.000 0.478 486 N N 3.739 122.635 118.700 0.326 0.000 2.492 486 N HA 0.112 4.866 4.740 0.024 0.000 0.260 486 N C -1.110 174.516 175.510 0.194 0.000 1.215 486 N CA 0.001 53.177 53.050 0.211 0.000 0.923 486 N CB 0.354 38.874 38.487 0.056 0.000 1.092 486 N HN 0.346 nan 8.380 nan 0.000 0.448 487 W N 0.621 121.669 121.300 -0.420 0.000 2.655 487 W HA 0.250 4.924 4.660 0.023 0.000 0.358 487 W C -0.014 176.127 176.519 -0.630 0.000 1.100 487 W CA -0.877 56.106 57.345 -0.604 0.000 1.195 487 W CB 0.077 29.051 29.460 -0.810 0.000 1.403 487 W HN 0.447 nan 8.180 nan 0.000 0.589 488 D N 0.765 121.097 120.400 -0.113 0.000 2.558 488 D HA 0.041 4.696 4.640 0.024 0.000 0.221 488 D C 0.722 177.012 176.300 -0.017 0.000 1.143 488 D CA -0.078 53.897 54.000 -0.041 0.000 1.010 488 D CB -0.305 40.489 40.800 -0.010 0.000 1.068 488 D HN 0.172 nan 8.370 nan 0.000 0.511 489 Y N 1.885 122.272 120.300 0.145 0.000 2.165 489 Y HA -0.183 4.382 4.550 0.024 0.000 0.286 489 Y C 2.536 178.453 175.900 0.029 0.000 1.155 489 Y CA 1.294 59.454 58.100 0.101 0.000 1.164 489 Y CB -0.620 37.782 38.460 -0.096 0.000 0.978 489 Y HN 0.460 nan 8.280 nan 0.000 0.513 490 A N 0.311 123.229 122.820 0.163 0.000 1.940 490 A HA -0.150 4.184 4.320 0.024 0.000 0.219 490 A C 2.565 180.184 177.584 0.059 0.000 1.176 490 A CA 1.840 53.935 52.037 0.097 0.000 0.631 490 A CB -1.493 17.572 19.000 0.109 0.000 0.814 490 A HN 0.485 nan 8.150 nan 0.000 0.446 491 G N -0.797 108.027 108.800 0.040 0.000 2.534 491 G HA2 -0.017 3.957 3.960 0.024 0.000 0.217 491 G HA3 -0.017 3.957 3.960 0.024 0.000 0.217 491 G C 1.335 176.193 174.900 -0.070 0.000 1.128 491 G CA 0.899 45.992 45.100 -0.012 0.000 0.784 491 G HN 0.434 nan 8.290 nan 0.000 0.542 492 L N 0.294 121.477 121.223 -0.066 0.000 2.191 492 L HA 0.024 4.378 4.340 0.024 0.000 0.212 492 L C 2.629 179.309 176.870 -0.315 0.000 1.103 492 L CA 1.292 55.992 54.840 -0.232 0.000 0.769 492 L CB -0.268 41.765 42.059 -0.043 0.000 0.908 492 L HN 0.086 nan 8.230 nan 0.000 0.438 493 M N -0.832 118.732 119.600 -0.061 0.000 2.065 493 M HA -0.182 4.313 4.480 0.024 0.000 0.259 493 M C 2.092 178.402 176.300 0.016 0.000 1.069 493 M CA 1.572 56.897 55.300 0.040 0.000 1.110 493 M CB -1.152 31.493 32.600 0.075 0.000 1.328 493 M HN 0.240 nan 8.290 nan 0.000 0.405 494 E N -0.238 119.951 120.200 -0.018 0.000 2.268 494 E HA -0.070 4.295 4.350 0.024 0.000 0.195 494 E C 2.252 178.834 176.600 -0.031 0.000 0.995 494 E CA 0.666 57.062 56.400 -0.007 0.000 0.836 494 E CB -0.288 29.406 29.700 -0.010 0.000 0.763 494 E HN 0.312 nan 8.360 nan 0.000 0.491 495 V N 0.627 120.468 119.914 -0.123 0.000 2.307 495 V HA -0.211 3.923 4.120 0.024 0.000 0.245 495 V C 1.923 178.007 176.094 -0.016 0.000 1.045 495 V CA 1.422 63.631 62.300 -0.152 0.000 1.024 495 V CB -0.499 31.121 31.823 -0.339 0.000 0.651 495 V HN 0.134 nan 8.190 nan 0.000 0.449 496 F N 0.606 120.579 119.950 0.038 0.000 2.407 496 F HA 0.001 4.542 4.527 0.025 0.000 0.299 496 F C 2.230 178.052 175.800 0.037 0.000 1.097 496 F CA 0.394 58.417 58.000 0.038 0.000 1.422 496 F CB -1.078 37.953 39.000 0.050 0.000 1.067 496 F HN 0.217 nan 8.300 nan 0.000 0.539 497 N N 0.324 119.142 118.700 0.196 0.000 2.106 497 N HA -0.058 4.697 4.740 0.024 0.000 0.188 497 N C 1.858 177.429 175.510 0.102 0.000 1.029 497 N CA 1.468 54.594 53.050 0.127 0.000 0.848 497 N CB -0.748 37.790 38.487 0.086 0.000 1.007 497 N HN 0.256 nan 8.380 nan 0.000 0.423 498 G N 1.226 110.076 108.800 0.083 0.000 2.249 498 G HA2 -0.282 3.692 3.960 0.024 0.000 0.273 498 G HA3 -0.282 3.692 3.960 0.024 0.000 0.273 498 G C -0.324 174.603 174.900 0.044 0.000 1.036 498 G CA -0.055 45.084 45.100 0.065 0.000 0.824 498 G HN 0.277 nan 8.290 nan 0.000 0.504 499 N N 0.414 119.134 118.700 0.034 0.000 2.454 499 N HA 0.399 5.153 4.740 0.024 0.000 0.260 499 N C 1.429 176.941 175.510 0.002 0.000 1.218 499 N CA 1.549 54.613 53.050 0.022 0.000 0.904 499 N CB 0.923 39.423 38.487 0.021 0.000 1.065 499 N HN 1.370 nan 8.380 nan 0.000 0.462 500 G N 0.217 109.013 108.800 -0.007 0.000 2.176 500 G HA2 -0.194 3.781 3.960 0.024 0.000 0.253 500 G HA3 -0.194 3.781 3.960 0.024 0.000 0.253 500 G C 0.556 175.419 174.900 -0.063 0.000 0.979 500 G CA 0.286 45.368 45.100 -0.030 0.000 0.641 500 G HN 0.869 nan 8.290 nan 0.000 0.530 501 G N -1.231 107.537 108.800 -0.053 0.000 2.849 501 G HA2 0.535 4.509 3.960 0.024 0.000 0.174 501 G HA3 0.535 4.509 3.960 0.024 0.000 0.174 501 G C 0.694 175.527 174.900 -0.110 0.000 1.370 501 G CA 0.169 45.199 45.100 -0.117 0.000 1.040 501 G HN 0.099 nan 8.290 nan 0.000 0.582 502 Y N 0.858 121.167 120.300 0.016 0.000 2.224 502 Y HA 0.028 4.592 4.550 0.025 0.000 0.289 502 Y C 1.705 177.615 175.900 0.017 0.000 1.146 502 Y CA 1.649 59.758 58.100 0.014 0.000 1.182 502 Y CB -0.005 38.462 38.460 0.012 0.000 0.983 502 Y HN 0.598 nan 8.280 nan 0.000 0.524 503 D N -2.010 118.492 120.400 0.170 0.000 2.887 503 D HA 0.540 5.195 4.640 0.024 0.000 0.221 503 D C -0.438 175.907 176.300 0.076 0.000 1.276 503 D CA -0.186 53.878 54.000 0.107 0.000 1.078 503 D CB 0.528 41.387 40.800 0.099 0.000 1.217 503 D HN -0.016 nan 8.370 nan 0.000 0.631 504 S N -2.746 112.997 115.700 0.071 0.000 2.636 504 S HA 0.795 5.279 4.470 0.024 0.000 0.268 504 S C -0.527 174.114 174.600 0.067 0.000 1.159 504 S CA -0.535 57.702 58.200 0.061 0.000 0.815 504 S CB 1.414 64.642 63.200 0.048 0.000 1.130 504 S HN 1.190 nan 8.310 nan 0.000 0.471 505 G N -1.148 107.691 108.800 0.066 0.000 2.677 505 G HA2 0.752 4.726 3.960 0.024 0.000 0.291 505 G HA3 0.752 4.726 3.960 0.024 0.000 0.291 505 G C -0.608 174.331 174.900 0.065 0.000 1.435 505 G CA -0.267 44.877 45.100 0.073 0.000 0.826 505 G HN 1.600 nan 8.290 nan 0.000 0.491 506 A N -0.117 122.743 122.820 0.067 0.000 2.643 506 A HA 0.715 5.050 4.320 0.024 0.000 0.295 506 A C 0.922 178.543 177.584 0.062 0.000 1.065 506 A CA 0.522 52.593 52.037 0.057 0.000 0.986 506 A CB -0.115 18.915 19.000 0.050 0.000 1.212 506 A HN 1.506 nan 8.150 nan 0.000 0.516 507 G N 0.086 108.933 108.800 0.078 0.000 2.539 507 G HA2 0.493 4.467 3.960 0.024 0.000 0.258 507 G HA3 0.493 4.467 3.960 0.024 0.000 0.258 507 G C -0.304 174.636 174.900 0.066 0.000 1.202 507 G CA -0.310 44.840 45.100 0.084 0.000 0.851 507 G HN 0.329 nan 8.290 nan 0.000 0.556 508 K N -0.310 120.123 120.400 0.054 0.000 2.422 508 K HA 0.554 4.888 4.320 0.024 0.000 0.251 508 K C -0.437 176.184 176.600 0.035 0.000 0.933 508 K CA -0.722 55.588 56.287 0.039 0.000 0.798 508 K CB 2.585 35.100 32.500 0.025 0.000 1.238 508 K HN 0.609 nan 8.250 nan 0.000 0.428 509 G N 2.898 111.719 108.800 0.035 0.000 2.478 509 G HA2 0.666 4.641 3.960 0.024 0.000 0.317 509 G HA3 0.666 4.641 3.960 0.024 0.000 0.317 509 G C -0.977 173.945 174.900 0.037 0.000 1.259 509 G CA -0.490 44.631 45.100 0.035 0.000 0.933 509 G HN 0.360 nan 8.290 nan 0.000 0.478 510 L N 1.138 122.383 121.223 0.037 0.000 2.371 510 L HA 0.614 4.968 4.340 0.024 0.000 0.262 510 L C -0.184 176.744 176.870 0.095 0.000 1.006 510 L CA -1.098 53.774 54.840 0.054 0.000 0.818 510 L CB 2.745 44.826 42.059 0.037 0.000 1.354 510 L HN 0.319 nan 8.230 nan 0.000 0.415 511 K N 1.249 121.727 120.400 0.131 0.000 2.207 511 K HA 0.839 5.174 4.320 0.024 0.000 0.255 511 K C -0.994 175.723 176.600 0.195 0.000 0.941 511 K CA -0.753 55.677 56.287 0.238 0.000 0.825 511 K CB 2.421 35.083 32.500 0.270 0.000 1.119 511 K HN 0.649 nan 8.250 nan 0.000 0.430 512 A N 2.552 125.539 122.820 0.278 0.000 2.375 512 A HA 0.311 4.645 4.320 0.024 0.000 0.291 512 A C -0.167 177.570 177.584 0.254 0.000 1.160 512 A CA -0.692 51.467 52.037 0.203 0.000 0.747 512 A CB 0.562 19.666 19.000 0.173 0.000 1.170 512 A HN 0.820 nan 8.150 nan 0.000 0.458 513 K N 0.777 121.248 120.400 0.118 0.000 2.374 513 K HA 0.167 4.501 4.320 0.024 0.000 0.202 513 K C 0.263 176.892 176.600 0.050 0.000 1.040 513 K CA 0.870 57.194 56.287 0.063 0.000 1.085 513 K CB 0.915 33.345 32.500 -0.118 0.000 0.873 513 K HN 0.820 nan 8.250 nan 0.000 0.539 514 T N -4.660 109.926 114.554 0.053 0.000 2.864 514 T HA 0.340 4.705 4.350 0.024 0.000 0.299 514 T C 1.136 175.865 174.700 0.049 0.000 1.166 514 T CA -0.536 61.588 62.100 0.041 0.000 1.007 514 T CB 1.643 70.523 68.868 0.022 0.000 1.219 514 T HN -0.015 nan 8.240 nan 0.000 0.506 515 G N 0.305 109.128 108.800 0.039 0.000 2.469 515 G HA2 0.008 3.983 3.960 0.024 0.000 0.220 515 G HA3 0.008 3.983 3.960 0.024 0.000 0.220 515 G C 1.465 176.389 174.900 0.041 0.000 1.136 515 G CA 0.959 46.082 45.100 0.038 0.000 0.759 515 G HN 1.178 nan 8.290 nan 0.000 0.562 516 G N 0.359 109.180 108.800 0.034 0.000 2.402 516 G HA2 -0.096 3.879 3.960 0.024 0.000 0.216 516 G HA3 -0.096 3.879 3.960 0.024 0.000 0.216 516 G C 1.617 176.540 174.900 0.039 0.000 1.162 516 G CA 1.008 46.127 45.100 0.032 0.000 0.777 516 G HN 0.525 nan 8.290 nan 0.000 0.539 517 E N -0.429 119.797 120.200 0.043 0.000 2.106 517 E HA -0.072 4.293 4.350 0.024 0.000 0.192 517 E C 2.359 179.002 176.600 0.072 0.000 0.984 517 E CA 0.545 56.976 56.400 0.051 0.000 0.806 517 E CB -0.125 29.605 29.700 0.051 0.000 0.750 517 E HN 0.334 nan 8.360 nan 0.000 0.458 518 L N 1.012 122.286 121.223 0.085 0.000 2.017 518 L HA -0.110 4.244 4.340 0.024 0.000 0.208 518 L C 2.203 179.137 176.870 0.107 0.000 1.073 518 L CA 2.023 56.931 54.840 0.113 0.000 0.745 518 L CB -0.698 41.429 42.059 0.113 0.000 0.894 518 L HN 0.026 nan 8.230 nan 0.000 0.432 519 A N -0.834 122.033 122.820 0.078 0.000 1.908 519 A HA -0.186 4.149 4.320 0.024 0.000 0.218 519 A C 2.142 179.765 177.584 0.064 0.000 1.181 519 A CA 1.749 53.827 52.037 0.069 0.000 0.627 519 A CB -0.587 18.443 19.000 0.049 0.000 0.818 519 A HN 0.530 nan 8.150 nan 0.000 0.445 520 E N -0.073 120.160 120.200 0.055 0.000 2.106 520 E HA -0.088 4.277 4.350 0.024 0.000 0.192 520 E C 2.357 178.986 176.600 0.049 0.000 0.984 520 E CA 1.196 57.623 56.400 0.046 0.000 0.806 520 E CB -0.708 29.014 29.700 0.037 0.000 0.750 520 E HN 0.569 nan 8.360 nan 0.000 0.458 521 A N 1.374 124.230 122.820 0.060 0.000 1.877 521 A HA -0.160 4.174 4.320 0.024 0.000 0.216 521 A C 2.358 179.972 177.584 0.049 0.000 1.186 521 A CA 1.251 53.319 52.037 0.053 0.000 0.620 521 A CB -0.738 18.302 19.000 0.066 0.000 0.822 521 A HN 0.193 nan 8.150 nan 0.000 0.443 522 I N -0.547 120.076 120.570 0.088 0.000 2.264 522 I HA -0.304 3.881 4.170 0.024 0.000 0.248 522 I C 2.474 178.630 176.117 0.066 0.000 1.111 522 I CA 1.645 63.006 61.300 0.103 0.000 1.382 522 I CB -0.301 37.802 38.000 0.171 0.000 1.060 522 I HN 0.339 nan 8.210 nan 0.000 0.418 523 K N 0.358 120.791 120.400 0.056 0.000 2.026 523 K HA -0.136 4.199 4.320 0.024 0.000 0.208 523 K C 2.072 178.691 176.600 0.032 0.000 1.048 523 K CA 1.326 57.638 56.287 0.042 0.000 0.929 523 K CB -0.283 32.239 32.500 0.037 0.000 0.713 523 K HN 0.125 nan 8.250 nan 0.000 0.439 524 V N 1.496 121.426 119.914 0.028 0.000 2.392 524 V HA -0.286 3.848 4.120 0.024 0.000 0.249 524 V C 2.343 178.445 176.094 0.013 0.000 1.059 524 V CA 2.065 64.377 62.300 0.020 0.000 1.051 524 V CB -0.735 31.099 31.823 0.019 0.000 0.658 524 V HN 0.382 nan 8.190 nan 0.000 0.455 525 A N -0.264 122.558 122.820 0.004 0.000 1.902 525 A HA -0.135 4.199 4.320 0.024 0.000 0.217 525 A C 2.191 179.777 177.584 0.004 0.000 1.181 525 A CA 1.707 53.735 52.037 -0.016 0.000 0.623 525 A CB -0.510 18.453 19.000 -0.062 0.000 0.818 525 A HN 0.505 nan 8.150 nan 0.000 0.443 526 L N -0.910 120.325 121.223 0.020 0.000 2.141 526 L HA -0.138 4.217 4.340 0.024 0.000 0.209 526 L C 2.835 179.720 176.870 0.025 0.000 1.094 526 L CA 0.921 55.778 54.840 0.028 0.000 0.763 526 L CB -0.332 41.750 42.059 0.038 0.000 0.908 526 L HN 0.432 nan 8.230 nan 0.000 0.437 527 A N -0.934 121.899 122.820 0.023 0.000 2.169 527 A HA -0.059 4.276 4.320 0.024 0.000 0.212 527 A C 1.033 178.630 177.584 0.021 0.000 1.153 527 A CA 0.249 52.300 52.037 0.022 0.000 0.756 527 A CB -0.422 18.590 19.000 0.021 0.000 0.813 527 A HN 0.333 nan 8.150 nan 0.000 0.471 528 N N 1.114 119.827 118.700 0.020 0.000 2.482 528 N HA 0.111 4.865 4.740 0.024 0.000 0.242 528 N C 0.852 176.378 175.510 0.026 0.000 1.100 528 N CA 0.781 53.844 53.050 0.022 0.000 0.946 528 N CB 0.583 39.082 38.487 0.020 0.000 1.227 528 N HN 0.260 nan 8.380 nan 0.000 0.508 529 T N -1.360 113.210 114.554 0.028 0.000 3.086 529 T HA 0.176 4.540 4.350 0.024 0.000 0.250 529 T C 0.314 175.036 174.700 0.036 0.000 1.074 529 T CA 0.058 62.177 62.100 0.031 0.000 0.988 529 T CB 0.201 69.085 68.868 0.027 0.000 0.988 529 T HN 0.125 nan 8.240 nan 0.000 0.530 530 D N 0.872 121.295 120.400 0.038 0.000 2.407 530 D HA 0.384 5.038 4.640 0.024 0.000 0.208 530 D C 0.936 177.268 176.300 0.052 0.000 1.083 530 D CA 0.374 54.400 54.000 0.043 0.000 0.844 530 D CB 1.005 41.828 40.800 0.039 0.000 0.967 530 D HN 0.642 nan 8.370 nan 0.000 0.506 531 G N 0.405 109.237 108.800 0.054 0.000 2.506 531 G HA2 0.379 4.354 3.960 0.024 0.000 0.292 531 G HA3 0.379 4.354 3.960 0.024 0.000 0.292 531 G C -3.081 171.856 174.900 0.061 0.000 1.425 531 G CA -0.979 44.161 45.100 0.066 0.000 0.788 531 G HN -0.299 nan 8.290 nan 0.000 0.490 532 P HA 0.351 nan 4.420 nan 0.000 0.274 532 P C -0.567 176.758 177.300 0.041 0.000 1.237 532 P CA 0.179 63.317 63.100 0.063 0.000 0.793 532 P CB 1.234 32.990 31.700 0.094 0.000 0.977 533 T N 2.331 116.884 114.554 -0.001 0.000 2.809 533 T HA 0.416 4.781 4.350 0.024 0.000 0.284 533 T C -0.294 174.357 174.700 -0.082 0.000 0.992 533 T CA -0.419 61.662 62.100 -0.031 0.000 0.957 533 T CB 0.647 69.482 68.868 -0.056 0.000 0.942 533 T HN 0.289 nan 8.240 nan 0.000 0.439 534 L N 5.111 126.304 121.223 -0.050 0.000 2.272 534 L HA 0.636 4.990 4.340 0.024 0.000 0.289 534 L C -1.035 175.771 176.870 -0.107 0.000 1.032 534 L CA -0.785 54.000 54.840 -0.093 0.000 0.810 534 L CB 0.386 42.424 42.059 -0.034 0.000 1.205 534 L HN 0.648 nan 8.230 nan 0.000 0.422 535 I N 5.094 125.557 120.570 -0.179 0.000 2.330 535 I HA 0.241 4.425 4.170 0.024 0.000 0.286 535 I C 0.002 176.084 176.117 -0.059 0.000 1.025 535 I CA -0.343 60.898 61.300 -0.099 0.000 1.197 535 I CB 1.433 39.359 38.000 -0.123 0.000 1.358 535 I HN 0.616 nan 8.210 nan 0.000 0.467 536 E N 6.384 126.569 120.200 -0.025 0.000 2.003 536 E HA 0.212 4.577 4.350 0.024 0.000 0.279 536 E C -1.091 175.465 176.600 -0.073 0.000 1.132 536 E CA -0.525 55.812 56.400 -0.104 0.000 0.888 536 E CB 0.564 30.231 29.700 -0.055 0.000 1.056 536 E HN 0.620 nan 8.360 nan 0.000 0.399 537 C N 5.715 124.947 119.300 -0.115 0.000 2.307 537 C HA 0.371 4.846 4.460 0.024 0.000 0.340 537 C C -0.354 174.570 174.990 -0.109 0.000 1.275 537 C CA -0.822 58.204 59.018 0.014 0.000 1.811 537 C CB -0.847 26.931 27.740 0.065 0.000 2.372 537 C HN 0.594 nan 8.230 nan 0.000 0.531 538 F N 4.861 124.832 119.950 0.035 0.000 2.371 538 F HA 0.629 5.170 4.527 0.025 0.000 0.363 538 F C 0.638 176.455 175.800 0.029 0.000 1.122 538 F CA -0.504 57.516 58.000 0.033 0.000 1.129 538 F CB 0.364 39.381 39.000 0.028 0.000 1.173 538 F HN 0.489 nan 8.300 nan 0.000 0.489 539 I N -0.559 120.097 120.570 0.145 0.000 3.145 539 I HA 0.940 5.125 4.170 0.024 0.000 0.313 539 I C 0.181 176.357 176.117 0.098 0.000 1.122 539 I CA -1.339 60.025 61.300 0.106 0.000 0.987 539 I CB 1.795 39.832 38.000 0.063 0.000 1.236 539 I HN 0.521 nan 8.210 nan 0.000 0.453 540 G N 1.202 110.049 108.800 0.078 0.000 2.539 540 G HA2 0.248 4.223 3.960 0.024 0.000 0.258 540 G HA3 0.248 4.223 3.960 0.024 0.000 0.258 540 G C 0.430 175.364 174.900 0.057 0.000 1.202 540 G CA -0.452 44.692 45.100 0.072 0.000 0.851 540 G HN 0.967 nan 8.290 nan 0.000 0.556 541 R N 0.043 120.578 120.500 0.059 0.000 2.081 541 R HA -0.073 4.281 4.340 0.024 0.000 0.235 541 R C 1.929 178.239 176.300 0.016 0.000 1.131 541 R CA 1.915 58.036 56.100 0.036 0.000 0.960 541 R CB -0.177 30.138 30.300 0.025 0.000 0.856 541 R HN 0.532 nan 8.270 nan 0.000 0.436 542 E N 0.491 120.699 120.200 0.013 0.000 2.347 542 E HA -0.090 4.275 4.350 0.024 0.000 0.196 542 E C -0.166 176.434 176.600 -0.001 0.000 1.008 542 E CA 0.857 57.258 56.400 0.001 0.000 0.852 542 E CB -0.052 29.647 29.700 -0.001 0.000 0.783 542 E HN 0.301 nan 8.360 nan 0.000 0.505 543 D N 0.519 120.924 120.400 0.010 0.000 2.551 543 D HA 0.028 4.682 4.640 0.024 0.000 0.223 543 D C -0.725 175.578 176.300 0.006 0.000 1.144 543 D CA -0.251 53.754 54.000 0.009 0.000 1.025 543 D CB -0.567 40.245 40.800 0.021 0.000 1.085 543 D HN 0.151 nan 8.370 nan 0.000 0.506 544 C N 0.648 119.942 119.300 -0.009 0.000 3.108 544 C HA 0.858 5.332 4.460 0.024 0.000 0.321 544 C C 0.686 175.656 174.990 -0.033 0.000 1.357 544 C CA -0.706 58.303 59.018 -0.015 0.000 1.562 544 C CB 0.769 28.492 27.740 -0.028 0.000 2.003 544 C HN 0.476 nan 8.230 nan 0.000 0.460 545 T N -1.062 113.466 114.554 -0.042 0.000 2.903 545 T HA 0.217 4.581 4.350 0.024 0.000 0.314 545 T C 0.679 175.309 174.700 -0.117 0.000 1.078 545 T CA 0.309 62.375 62.100 -0.057 0.000 1.114 545 T CB 0.347 69.201 68.868 -0.022 0.000 0.987 545 T HN 0.821 nan 8.240 nan 0.000 0.548 546 E N 1.097 121.243 120.200 -0.089 0.000 2.110 546 E HA -0.152 4.212 4.350 0.024 0.000 0.193 546 E C 2.061 178.565 176.600 -0.161 0.000 0.988 546 E CA 1.325 57.666 56.400 -0.099 0.000 0.804 546 E CB -0.061 29.602 29.700 -0.061 0.000 0.745 546 E HN 0.788 nan 8.360 nan 0.000 0.458 547 E N 0.828 120.910 120.200 -0.198 0.000 2.077 547 E HA -0.190 4.174 4.350 0.024 0.000 0.193 547 E C 1.943 178.157 176.600 -0.643 0.000 0.989 547 E CA 0.620 56.843 56.400 -0.295 0.000 0.800 547 E CB -0.156 29.467 29.700 -0.128 0.000 0.746 547 E HN 0.103 nan 8.360 nan 0.000 0.452 548 L N 0.358 120.996 121.223 -0.974 0.000 2.012 548 L HA -0.174 4.180 4.340 0.024 0.000 0.210 548 L C 2.036 178.685 176.870 -0.369 0.000 1.073 548 L CA 1.540 55.737 54.840 -1.072 0.000 0.748 548 L CB -0.493 41.132 42.059 -0.723 0.000 0.891 548 L HN 0.025 nan 8.230 nan 0.000 0.431 549 V N -0.073 119.690 119.914 -0.252 0.000 2.295 549 V HA -0.307 3.828 4.120 0.024 0.000 0.246 549 V C 2.625 178.653 176.094 -0.111 0.000 1.049 549 V CA 2.240 64.459 62.300 -0.135 0.000 1.024 549 V CB -0.809 30.952 31.823 -0.104 0.000 0.648 549 V HN 0.468 nan 8.190 nan 0.000 0.447 550 K N -1.185 119.143 120.400 -0.120 0.000 2.002 550 K HA -0.254 4.080 4.320 0.024 0.000 0.209 550 K C 1.997 178.551 176.600 -0.076 0.000 1.048 550 K CA 2.144 58.379 56.287 -0.087 0.000 0.930 550 K CB -0.382 32.071 32.500 -0.078 0.000 0.714 550 K HN 0.611 nan 8.250 nan 0.000 0.438 551 W N 1.543 122.658 121.300 -0.307 0.000 2.358 551 W HA -0.139 4.535 4.660 0.023 0.000 0.303 551 W C 2.016 178.409 176.519 -0.210 0.000 1.208 551 W CA 2.034 59.199 57.345 -0.300 0.000 1.274 551 W CB -0.709 28.509 29.460 -0.402 0.000 1.138 551 W HN 0.120 nan 8.180 nan 0.000 0.515 552 G N 0.648 109.399 108.800 -0.081 0.000 2.469 552 G HA2 -0.342 3.632 3.960 0.024 0.000 0.219 552 G HA3 -0.342 3.632 3.960 0.024 0.000 0.219 552 G C 1.501 176.245 174.900 -0.259 0.000 1.150 552 G CA 1.377 46.350 45.100 -0.211 0.000 0.763 552 G HN 0.326 nan 8.290 nan 0.000 0.561 553 K N -0.264 120.031 120.400 -0.175 0.000 2.097 553 K HA -0.009 4.325 4.320 0.024 0.000 0.206 553 K C 2.791 179.292 176.600 -0.164 0.000 1.049 553 K CA 0.733 56.941 56.287 -0.131 0.000 0.933 553 K CB -0.070 32.379 32.500 -0.085 0.000 0.717 553 K HN 0.040 nan 8.250 nan 0.000 0.442 554 R N 0.551 120.916 120.500 -0.226 0.000 2.075 554 R HA -0.055 4.299 4.340 0.024 0.000 0.232 554 R C 2.323 178.454 176.300 -0.283 0.000 1.126 554 R CA 0.844 56.812 56.100 -0.220 0.000 0.963 554 R CB -0.957 29.205 30.300 -0.231 0.000 0.858 554 R HN 0.063 nan 8.270 nan 0.000 0.435 555 V N 1.502 121.114 119.914 -0.503 0.000 2.261 555 V HA -0.248 3.887 4.120 0.024 0.000 0.246 555 V C 2.549 178.505 176.094 -0.230 0.000 1.047 555 V CA 1.988 63.996 62.300 -0.487 0.000 1.015 555 V CB -0.885 30.384 31.823 -0.922 0.000 0.642 555 V HN 0.340 nan 8.190 nan 0.000 0.446 556 A N -0.255 122.446 122.820 -0.198 0.000 1.940 556 A HA -0.172 4.162 4.320 0.024 0.000 0.219 556 A C 2.396 179.940 177.584 -0.067 0.000 1.176 556 A CA 2.288 54.268 52.037 -0.095 0.000 0.631 556 A CB -0.773 18.196 19.000 -0.052 0.000 0.814 556 A HN 0.603 nan 8.150 nan 0.000 0.446 557 A N -0.208 122.571 122.820 -0.069 0.000 1.873 557 A HA 0.189 4.523 4.320 0.024 0.000 0.215 557 A C 2.535 180.119 177.584 0.001 0.000 1.186 557 A CA 2.058 54.076 52.037 -0.032 0.000 0.616 557 A CB -1.091 17.891 19.000 -0.030 0.000 0.823 557 A HN 1.085 nan 8.150 nan 0.000 0.442 558 A N 0.447 123.273 122.820 0.010 0.000 1.883 558 A HA -0.259 4.075 4.320 0.024 0.000 0.217 558 A C 1.898 179.536 177.584 0.089 0.000 1.186 558 A CA 1.857 53.954 52.037 0.100 0.000 0.624 558 A CB -0.999 18.066 19.000 0.108 0.000 0.822 558 A HN 0.737 nan 8.150 nan 0.000 0.444 559 N N -0.025 118.695 118.700 0.032 0.000 2.166 559 N HA -0.135 4.620 4.740 0.024 0.000 0.186 559 N C 1.653 177.165 175.510 0.002 0.000 1.019 559 N CA 1.471 54.535 53.050 0.022 0.000 0.856 559 N CB -0.108 38.374 38.487 -0.008 0.000 0.993 559 N HN 0.638 nan 8.380 nan 0.000 0.426 560 S N 0.864 116.555 115.700 -0.015 0.000 2.556 560 S HA 0.054 4.539 4.470 0.024 0.000 0.216 560 S C 0.487 175.079 174.600 -0.013 0.000 0.970 560 S CA -0.640 57.541 58.200 -0.031 0.000 0.912 560 S CB -0.098 63.067 63.200 -0.058 0.000 0.790 560 S HN 0.238 nan 8.310 nan 0.000 0.504 561 R N 2.549 123.053 120.500 0.007 0.000 2.538 561 R HA 0.109 4.464 4.340 0.024 0.000 0.282 561 R C -0.086 176.213 176.300 -0.000 0.000 1.009 561 R CA -0.357 55.749 56.100 0.009 0.000 1.063 561 R CB -0.104 30.211 30.300 0.026 0.000 0.945 561 R HN 0.420 nan 8.270 nan 0.000 0.414 562 K N 3.085 123.481 120.400 -0.005 0.000 2.397 562 K HA 0.164 4.499 4.320 0.024 0.000 0.265 562 K C -2.086 174.508 176.600 -0.010 0.000 0.982 562 K CA -1.151 55.131 56.287 -0.009 0.000 0.931 562 K CB -0.235 32.260 32.500 -0.009 0.000 0.943 562 K HN 0.378 nan 8.250 nan 0.000 0.501 563 P HA -0.022 nan 4.420 nan 0.000 0.268 563 P C -0.487 176.804 177.300 -0.016 0.000 1.205 563 P CA -0.414 62.677 63.100 -0.015 0.000 0.771 563 P CB 0.647 32.339 31.700 -0.014 0.000 0.858 564 V N 2.180 122.082 119.914 -0.021 0.000 3.665 564 V HA 0.306 4.441 4.120 0.024 0.000 0.279 564 V C 0.802 176.884 176.094 -0.020 0.000 1.000 564 V CA -0.010 62.277 62.300 -0.022 0.000 0.935 564 V CB 0.925 32.731 31.823 -0.029 0.000 1.240 564 V HN 0.695 nan 8.190 nan 0.000 0.418 565 N N -0.744 117.944 118.700 -0.020 0.000 3.614 565 N HA 0.467 5.221 4.740 0.024 0.000 0.341 565 N C -0.875 174.624 175.510 -0.018 0.000 1.567 565 N CA -0.556 52.484 53.050 -0.017 0.000 0.641 565 N CB 1.286 39.765 38.487 -0.015 0.000 2.734 565 N HN 0.706 nan 8.380 nan 0.000 0.604 566 K N 0.000 120.391 120.400 -0.015 0.000 2.780 566 K HA 0.000 4.335 4.320 0.024 0.000 0.191 566 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 566 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543