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 1qfg_1_A DATA FIRST_RESID 19 DATA SEQUENCE ESAWGPAATI AARQSATGTK TDTPIQKVPQ SISVVTAEEM ALHQPKSVKE DATA SEQUENCE ALSYTPGVSV GTRGASNTYD HLIIRGFAAE GQSQNNYLNG LKLQGNFYND DATA SEQUENCE AVIDPYMLER AEIMRGPVSV LYGKSSPGGL LNMVSKRPTT EPLKEVQFKA DATA SEQUENCE GTDSLFQTGF DFSDSLDDDG VYSYRLTGLA RSANAQQKGS EEQRYAIAPA DATA SEQUENCE FTWRPDDKTN FTFLSYFQNE PETGYYGWLP KEGTVEPLPN GKRLPTDFNE DATA SEQUENCE GAKNNTYSRN EKMVGYSFDH EFNDTFTVRQ NLRFAENKTS QNSVYGYGVc DATA SEQUENCE SDPANAYSKQ cAALAPADKG HYLARKYVVD DEKLQNFSVD TQLQSKFATG DATA SEQUENCE DIDHTLLTGV DFMRMRNDIN AWFGYDDSVP LLNLYNPSSH HHHHHGSSVN DATA SEQUENCE TDFDFNAKDP ANSGPYRILN KQKQTGVYVQ DQAQWDKVLV TLGGRYDWAD DATA SEQUENCE QESLNRVAGT TDKRDDKQFT WRGGVNYLFD NGVTPYFSYS ESFEPSSQVG DATA SEQUENCE KDGNIFAPSK GKQYEVGVKY VPEDRPIVVT GAVYNLTKTN NLMADPEGSF DATA SEQUENCE FSVEGGEIRA RGVEIEAKAA LSASVNVVGS YTYTDAEYTT DTTYKGNTPA DATA SEQUENCE QVPKHMASLW ADYTFFDGPL SGLTLGTGGR YTGSSYGDPA NSFKVGSYTV DATA SEQUENCE VDALVRYDLA RVGMAGSNVA LHVNNLFDRE YVAScFNTYG cFWGAERQVV DATA SEQUENCE ATATFRF 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.485 176.600 -0.192 0.000 1.382 19 E CA 0.000 56.252 56.400 -0.246 0.000 0.976 19 E CB 0.000 29.476 29.700 -0.373 0.000 0.812 20 S N 0.896 116.423 115.700 -0.289 0.000 2.610 20 S HA 0.685 5.155 4.470 -0.000 0.000 0.273 20 S C 1.361 175.525 174.600 -0.727 0.000 1.274 20 S CA -0.161 57.686 58.200 -0.587 0.000 1.023 20 S CB 1.533 64.076 63.200 -1.096 0.000 0.962 20 S HN 0.531 nan 8.310 nan 0.000 0.523 21 A N 1.404 123.924 122.820 -0.499 0.000 1.915 21 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 21 A C 1.637 179.189 177.584 -0.053 0.000 1.198 21 A CA 1.986 53.942 52.037 -0.135 0.000 0.647 21 A CB -1.367 17.725 19.000 0.153 0.000 0.825 21 A HN 1.162 nan 8.150 nan 0.000 0.456 22 W N -0.071 121.248 121.300 0.031 0.000 3.377 22 W HA 0.491 5.151 4.660 -0.000 0.000 0.277 22 W C 1.011 177.553 176.519 0.039 0.000 1.311 22 W CA -0.539 56.821 57.345 0.025 0.000 1.703 22 W CB -0.941 28.530 29.460 0.018 0.000 1.095 22 W HN 0.239 nan 8.180 nan 0.000 0.715 23 G N 2.005 110.632 108.800 -0.289 0.000 3.107 23 G HA2 0.064 4.024 3.960 -0.000 0.000 0.155 23 G HA3 0.064 4.024 3.960 -0.000 0.000 0.155 23 G C -1.392 173.472 174.900 -0.060 0.000 1.875 23 G CA 0.077 45.055 45.100 -0.204 0.000 1.004 23 G HN -0.040 nan 8.290 nan 0.000 0.480 24 P HA 0.149 nan 4.420 nan 0.000 0.226 24 P C 1.978 179.255 177.300 -0.039 0.000 1.161 24 P CA 1.494 64.568 63.100 -0.044 0.000 0.804 24 P CB 0.145 31.812 31.700 -0.055 0.000 0.829 25 A N 0.377 123.165 122.820 -0.053 0.000 1.940 25 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 25 A C 2.221 179.797 177.584 -0.013 0.000 1.176 25 A CA 2.237 54.252 52.037 -0.038 0.000 0.631 25 A CB -1.530 17.443 19.000 -0.045 0.000 0.814 25 A HN 0.202 nan 8.150 nan 0.000 0.446 26 A N -1.216 121.607 122.820 0.004 0.000 1.854 26 A HA -0.005 4.315 4.320 -0.000 0.000 0.214 26 A C 2.300 179.897 177.584 0.021 0.000 1.192 26 A CA 2.125 54.183 52.037 0.035 0.000 0.611 26 A CB -1.363 17.692 19.000 0.092 0.000 0.832 26 A HN 0.410 nan 8.150 nan 0.000 0.442 27 T N 1.516 116.081 114.554 0.020 0.000 2.597 27 T HA -0.238 4.111 4.350 -0.000 0.000 0.267 27 T C 1.871 176.564 174.700 -0.012 0.000 1.053 27 T CA 2.186 64.291 62.100 0.009 0.000 1.165 27 T CB -0.763 68.106 68.868 0.002 0.000 0.863 27 T HN 0.652 nan 8.240 nan 0.000 0.427 28 I N 0.450 121.008 120.570 -0.020 0.000 2.315 28 I HA 0.038 4.207 4.170 -0.000 0.000 0.248 28 I C 2.740 178.842 176.117 -0.025 0.000 1.117 28 I CA 1.469 62.752 61.300 -0.027 0.000 1.404 28 I CB -0.988 36.994 38.000 -0.031 0.000 1.071 28 I HN 0.158 nan 8.210 nan 0.000 0.419 29 A N 1.622 124.431 122.820 -0.019 0.000 2.024 29 A HA 0.084 4.404 4.320 -0.000 0.000 0.220 29 A C 2.287 179.858 177.584 -0.022 0.000 1.164 29 A CA 1.632 53.657 52.037 -0.019 0.000 0.643 29 A CB -0.748 18.244 19.000 -0.012 0.000 0.806 29 A HN 0.624 nan 8.150 nan 0.000 0.451 30 A N -0.842 121.967 122.820 -0.019 0.000 2.327 30 A HA 0.203 4.522 4.320 -0.000 0.000 0.228 30 A C 1.795 179.360 177.584 -0.031 0.000 1.275 30 A CA 0.076 52.099 52.037 -0.023 0.000 0.875 30 A CB -0.342 18.650 19.000 -0.014 0.000 0.925 30 A HN 0.536 nan 8.150 nan 0.000 0.493 31 R N -1.039 119.440 120.500 -0.034 0.000 2.173 31 R HA 0.074 4.413 4.340 -0.000 0.000 0.208 31 R C 0.014 176.288 176.300 -0.043 0.000 1.035 31 R CA 0.318 56.393 56.100 -0.041 0.000 1.004 31 R CB 0.050 30.325 30.300 -0.041 0.000 0.917 31 R HN 0.358 nan 8.270 nan 0.000 0.462 32 Q N 0.560 120.337 119.800 -0.039 0.000 2.243 32 Q HA 0.335 4.675 4.340 -0.000 0.000 0.252 32 Q C -0.733 175.241 176.000 -0.042 0.000 0.909 32 Q CA -0.040 55.739 55.803 -0.039 0.000 0.922 32 Q CB 1.942 30.660 28.738 -0.034 0.000 1.215 32 Q HN -0.049 nan 8.270 nan 0.000 0.427 33 S N 0.489 116.162 115.700 -0.045 0.000 2.672 33 S HA 0.852 5.322 4.470 -0.000 0.000 0.271 33 S C -1.208 173.366 174.600 -0.043 0.000 1.171 33 S CA 0.237 58.408 58.200 -0.047 0.000 0.817 33 S CB 1.018 64.183 63.200 -0.058 0.000 1.150 33 S HN 0.530 nan 8.310 nan 0.000 0.478 34 A N 0.174 122.971 122.820 -0.040 0.000 2.533 34 A HA 0.287 4.607 4.320 -0.000 0.000 0.180 34 A C 1.365 178.939 177.584 -0.017 0.000 1.566 34 A CA 0.864 52.884 52.037 -0.028 0.000 1.153 34 A CB -0.608 18.381 19.000 -0.019 0.000 1.462 34 A HN 0.656 nan 8.150 nan 0.000 0.523 35 T N 0.245 114.784 114.554 -0.025 0.000 2.803 35 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 35 T C 1.727 176.440 174.700 0.021 0.000 1.052 35 T CA 1.908 64.005 62.100 -0.005 0.000 1.136 35 T CB -0.197 68.621 68.868 -0.083 0.000 0.864 35 T HN 0.560 nan 8.240 nan 0.000 0.467 36 G N 0.363 109.141 108.800 -0.037 0.000 2.777 36 G HA2 0.029 3.989 3.960 -0.000 0.000 0.211 36 G HA3 0.029 3.989 3.960 -0.000 0.000 0.211 36 G C 1.363 176.227 174.900 -0.061 0.000 1.149 36 G CA 1.158 46.224 45.100 -0.056 0.000 0.785 36 G HN 0.605 nan 8.290 nan 0.000 0.536 37 T N -4.307 110.214 114.554 -0.055 0.000 3.186 37 T HA 0.221 4.571 4.350 -0.000 0.000 0.292 37 T C 1.053 175.723 174.700 -0.051 0.000 0.915 37 T CA 0.368 62.433 62.100 -0.058 0.000 0.902 37 T CB 0.023 68.864 68.868 -0.045 0.000 1.192 37 T HN 0.113 nan 8.240 nan 0.000 0.563 38 K N 1.560 121.927 120.400 -0.054 0.000 3.349 38 K HA -0.162 4.158 4.320 -0.000 0.000 0.310 38 K C -0.093 176.508 176.600 0.000 0.000 1.267 38 K CA 1.493 57.758 56.287 -0.037 0.000 0.920 38 K CB -2.435 30.028 32.500 -0.062 0.000 1.240 38 K HN 0.857 nan 8.250 nan 0.000 0.453 39 T N -2.825 111.724 114.554 -0.007 0.000 2.906 39 T HA 0.259 4.609 4.350 -0.000 0.000 0.295 39 T C -0.629 174.062 174.700 -0.014 0.000 1.061 39 T CA -1.029 61.069 62.100 -0.002 0.000 1.000 39 T CB 2.524 71.391 68.868 -0.002 0.000 1.103 39 T HN 0.058 nan 8.240 nan 0.000 0.486 40 D N 1.829 122.221 120.400 -0.014 0.000 2.342 40 D HA 0.260 4.900 4.640 -0.000 0.000 0.260 40 D C -0.623 175.662 176.300 -0.025 0.000 1.278 40 D CA 0.464 54.451 54.000 -0.021 0.000 0.910 40 D CB 0.464 41.252 40.800 -0.021 0.000 1.079 40 D HN 0.559 nan 8.370 nan 0.000 0.496 41 T N 4.823 119.357 114.554 -0.032 0.000 2.900 41 T HA 0.459 4.809 4.350 -0.000 0.000 0.295 41 T C -2.483 172.190 174.700 -0.045 0.000 1.044 41 T CA -1.215 60.862 62.100 -0.038 0.000 0.995 41 T CB 2.544 71.385 68.868 -0.044 0.000 1.072 41 T HN 0.289 nan 8.240 nan 0.000 0.473 42 P HA 0.344 nan 4.420 nan 0.000 0.279 42 P C 1.117 178.379 177.300 -0.062 0.000 1.252 42 P CA -0.698 62.373 63.100 -0.048 0.000 0.811 42 P CB 0.885 32.561 31.700 -0.039 0.000 1.035 43 I N -0.351 120.179 120.570 -0.067 0.000 2.756 43 I HA -0.205 3.965 4.170 -0.000 0.000 0.262 43 I C 1.757 177.811 176.117 -0.106 0.000 1.225 43 I CA 1.103 62.349 61.300 -0.089 0.000 1.472 43 I CB -0.894 37.057 38.000 -0.082 0.000 1.094 43 I HN 0.230 nan 8.210 nan 0.000 0.454 44 Q N 2.493 122.249 119.800 -0.073 0.000 2.389 44 Q HA -0.053 4.287 4.340 -0.000 0.000 0.204 44 Q C 1.196 177.151 176.000 -0.074 0.000 0.944 44 Q CA 0.969 56.736 55.803 -0.060 0.000 0.908 44 Q CB -0.410 28.320 28.738 -0.013 0.000 1.002 44 Q HN 0.597 nan 8.270 nan 0.000 0.493 45 K N 0.768 121.123 120.400 -0.075 0.000 2.437 45 K HA 0.251 4.571 4.320 -0.000 0.000 0.198 45 K C -0.476 176.061 176.600 -0.105 0.000 1.024 45 K CA -0.069 56.177 56.287 -0.070 0.000 1.148 45 K CB 1.007 33.478 32.500 -0.048 0.000 0.860 45 K HN -0.044 nan 8.250 nan 0.000 0.515 46 V N 3.592 123.409 119.914 -0.163 0.000 2.334 46 V HA 0.114 4.234 4.120 -0.000 0.000 0.281 46 V C -1.669 174.204 176.094 -0.368 0.000 1.016 46 V CA -1.612 60.565 62.300 -0.205 0.000 0.832 46 V CB 1.663 33.386 31.823 -0.168 0.000 0.999 46 V HN 0.051 nan 8.190 nan 0.000 0.439 47 P HA -0.096 nan 4.420 nan 0.000 0.236 47 P C 0.151 177.300 177.300 -0.252 0.000 1.172 47 P CA 0.788 63.725 63.100 -0.270 0.000 0.759 47 P CB 0.565 32.184 31.700 -0.135 0.000 0.843 48 Q N -1.258 118.338 119.800 -0.341 0.000 2.456 48 Q HA 0.421 4.761 4.340 -0.000 0.000 0.284 48 Q C -0.874 174.990 176.000 -0.228 0.000 1.061 48 Q CA -0.682 55.004 55.803 -0.195 0.000 0.799 48 Q CB 2.065 30.708 28.738 -0.158 0.000 1.445 48 Q HN -0.285 nan 8.270 nan 0.000 0.411 49 S N 1.642 117.280 115.700 -0.104 0.000 2.516 49 S HA 0.432 4.902 4.470 -0.000 0.000 0.282 49 S C -0.718 173.812 174.600 -0.117 0.000 1.286 49 S CA -0.021 58.132 58.200 -0.078 0.000 1.066 49 S CB -0.160 63.018 63.200 -0.036 0.000 0.884 49 S HN 0.435 nan 8.310 nan 0.000 0.491 50 I N 2.875 123.380 120.570 -0.108 0.000 2.722 50 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 50 I C -0.894 175.175 176.117 -0.080 0.000 1.267 50 I CA -0.054 61.181 61.300 -0.108 0.000 1.036 50 I CB 1.912 39.840 38.000 -0.120 0.000 1.281 50 I HN 0.513 nan 8.210 nan 0.000 0.423 51 S N 5.093 120.746 115.700 -0.077 0.000 2.568 51 S HA 0.825 5.295 4.470 -0.000 0.000 0.302 51 S C -1.126 173.437 174.600 -0.061 0.000 1.082 51 S CA -0.603 57.563 58.200 -0.056 0.000 1.009 51 S CB 2.251 65.422 63.200 -0.048 0.000 1.069 51 S HN 0.420 nan 8.310 nan 0.000 0.500 52 V N 2.127 122.014 119.914 -0.046 0.000 2.760 52 V HA 0.624 4.744 4.120 -0.000 0.000 0.309 52 V C -1.049 175.024 176.094 -0.036 0.000 1.077 52 V CA -0.656 61.616 62.300 -0.047 0.000 0.910 52 V CB 1.910 33.708 31.823 -0.043 0.000 1.008 52 V HN 0.670 nan 8.190 nan 0.000 0.424 53 V N 2.915 122.803 119.914 -0.044 0.000 2.577 53 V HA 0.608 4.727 4.120 -0.000 0.000 0.303 53 V C 0.204 176.277 176.094 -0.035 0.000 1.042 53 V CA -0.482 61.794 62.300 -0.039 0.000 0.872 53 V CB 2.228 34.016 31.823 -0.058 0.000 0.998 53 V HN 1.034 nan 8.190 nan 0.000 0.423 54 T N 1.487 116.031 114.554 -0.016 0.000 2.927 54 T HA 0.655 5.005 4.350 -0.000 0.000 0.281 54 T C 1.327 176.026 174.700 -0.002 0.000 0.998 54 T CA 0.114 62.209 62.100 -0.007 0.000 1.019 54 T CB 1.948 70.824 68.868 0.014 0.000 1.061 54 T HN 0.822 nan 8.240 nan 0.000 0.518 55 A N 0.839 123.655 122.820 -0.005 0.000 1.940 55 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 55 A C 2.113 179.714 177.584 0.029 0.000 1.176 55 A CA 1.736 53.770 52.037 -0.005 0.000 0.631 55 A CB -1.050 17.936 19.000 -0.023 0.000 0.814 55 A HN 0.913 nan 8.150 nan 0.000 0.446 56 E N 0.418 120.656 120.200 0.063 0.000 2.077 56 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 56 E C 1.924 178.605 176.600 0.136 0.000 0.989 56 E CA 1.563 58.044 56.400 0.135 0.000 0.800 56 E CB -0.300 29.506 29.700 0.177 0.000 0.746 56 E HN 0.795 nan 8.360 nan 0.000 0.452 57 E N 0.215 120.475 120.200 0.101 0.000 2.077 57 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 57 E C 2.021 178.630 176.600 0.015 0.000 0.989 57 E CA 1.224 57.659 56.400 0.058 0.000 0.800 57 E CB -0.257 29.469 29.700 0.044 0.000 0.746 57 E HN 0.305 nan 8.360 nan 0.000 0.452 58 M N 0.634 120.234 119.600 -0.001 0.000 2.374 58 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 58 M C 2.414 178.703 176.300 -0.018 0.000 1.067 58 M CA 1.008 56.297 55.300 -0.020 0.000 1.103 58 M CB -0.120 32.462 32.600 -0.031 0.000 1.402 58 M HN 0.121 nan 8.290 nan 0.000 0.444 59 A N 0.452 123.272 122.820 -0.001 0.000 1.930 59 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 59 A C 2.064 179.615 177.584 -0.056 0.000 1.175 59 A CA 1.129 53.171 52.037 0.008 0.000 0.627 59 A CB -0.526 18.505 19.000 0.053 0.000 0.815 59 A HN 0.415 nan 8.150 nan 0.000 0.443 60 L N -0.754 120.373 121.223 -0.160 0.000 2.007 60 L HA -0.063 4.276 4.340 -0.000 0.000 0.205 60 L C 2.197 178.945 176.870 -0.203 0.000 1.073 60 L CA 2.406 57.002 54.840 -0.407 0.000 0.744 60 L CB -0.950 40.574 42.059 -0.892 0.000 0.898 60 L HN 0.524 nan 8.230 nan 0.000 0.435 61 H N -0.839 118.093 119.070 -0.230 0.000 2.462 61 H HA 0.049 4.605 4.556 -0.000 0.000 0.292 61 H C 0.130 175.332 175.328 -0.210 0.000 1.049 61 H CA 0.577 56.513 56.048 -0.186 0.000 1.334 61 H CB 0.206 29.785 29.762 -0.305 0.000 1.404 61 H HN 0.265 nan 8.280 nan 0.000 0.544 62 Q N 0.236 119.967 119.800 -0.116 0.000 2.460 62 Q HA -0.121 4.219 4.340 -0.000 0.000 0.311 62 Q C -2.432 173.429 176.000 -0.231 0.000 1.396 62 Q CA 0.324 55.969 55.803 -0.264 0.000 0.838 62 Q CB -1.618 26.724 28.738 -0.660 0.000 1.140 62 Q HN 0.516 nan 8.270 nan 0.000 0.415 63 P HA 0.026 nan 4.420 nan 0.000 0.268 63 P C 0.838 178.066 177.300 -0.120 0.000 1.205 63 P CA 0.038 63.063 63.100 -0.124 0.000 0.771 63 P CB 0.810 32.443 31.700 -0.112 0.000 0.858 64 K N 1.499 121.832 120.400 -0.111 0.000 2.057 64 K HA -0.062 4.257 4.320 -0.000 0.000 0.207 64 K C 0.960 177.505 176.600 -0.091 0.000 1.049 64 K CA 1.397 57.621 56.287 -0.104 0.000 0.931 64 K CB 0.076 32.522 32.500 -0.090 0.000 0.714 64 K HN 0.710 nan 8.250 nan 0.000 0.440 65 S N -2.203 113.445 115.700 -0.086 0.000 2.811 65 S HA 0.177 4.647 4.470 -0.000 0.000 0.311 65 S C 1.149 175.699 174.600 -0.083 0.000 1.152 65 S CA -0.444 57.708 58.200 -0.080 0.000 0.864 65 S CB 1.452 64.606 63.200 -0.076 0.000 1.226 65 S HN -0.093 nan 8.310 nan 0.000 0.541 66 V N 1.163 121.028 119.914 -0.082 0.000 2.568 66 V HA -0.144 3.975 4.120 -0.000 0.000 0.253 66 V C 2.444 178.482 176.094 -0.092 0.000 1.072 66 V CA 1.875 64.122 62.300 -0.089 0.000 1.084 66 V CB -1.516 30.252 31.823 -0.091 0.000 0.676 66 V HN 0.814 nan 8.190 nan 0.000 0.469 67 K N 0.584 120.934 120.400 -0.084 0.000 1.991 67 K HA -0.238 4.082 4.320 -0.000 0.000 0.212 67 K C 2.236 178.773 176.600 -0.104 0.000 1.049 67 K CA 2.194 58.429 56.287 -0.086 0.000 0.932 67 K CB -0.302 32.159 32.500 -0.065 0.000 0.717 67 K HN 0.451 nan 8.250 nan 0.000 0.441 68 E N 0.564 120.702 120.200 -0.104 0.000 2.204 68 E HA -0.148 4.201 4.350 -0.000 0.000 0.195 68 E C 1.757 178.263 176.600 -0.156 0.000 0.990 68 E CA 1.101 57.425 56.400 -0.127 0.000 0.821 68 E CB -0.239 29.397 29.700 -0.107 0.000 0.750 68 E HN 0.362 nan 8.360 nan 0.000 0.477 69 A N 0.324 123.063 122.820 -0.135 0.000 2.024 69 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 69 A C 1.815 179.318 177.584 -0.134 0.000 1.164 69 A CA 1.113 53.067 52.037 -0.139 0.000 0.643 69 A CB -0.381 18.553 19.000 -0.110 0.000 0.806 69 A HN 0.249 nan 8.150 nan 0.000 0.451 70 L N -0.771 120.375 121.223 -0.129 0.000 2.628 70 L HA 0.125 4.465 4.340 -0.000 0.000 0.229 70 L C 1.996 178.776 176.870 -0.149 0.000 1.137 70 L CA 0.123 54.893 54.840 -0.117 0.000 0.909 70 L CB 0.098 42.090 42.059 -0.111 0.000 1.137 70 L HN 0.138 nan 8.230 nan 0.000 0.470 71 S N -0.366 115.201 115.700 -0.222 0.000 2.440 71 S HA -0.164 4.306 4.470 -0.000 0.000 0.240 71 S C 0.906 175.151 174.600 -0.593 0.000 1.014 71 S CA 1.462 59.421 58.200 -0.402 0.000 0.980 71 S CB -0.268 62.603 63.200 -0.548 0.000 0.775 71 S HN 0.473 nan 8.310 nan 0.000 0.499 72 Y N 1.109 121.341 120.300 -0.114 0.000 2.708 72 Y HA 0.304 4.854 4.550 -0.000 0.000 0.287 72 Y C 0.438 176.326 175.900 -0.021 0.000 1.145 72 Y CA -0.374 57.699 58.100 -0.046 0.000 1.249 72 Y CB 0.234 38.662 38.460 -0.054 0.000 1.152 72 Y HN -0.018 nan 8.280 nan 0.000 0.532 73 T N 3.219 117.778 114.554 0.007 0.000 2.856 73 T HA 0.343 4.693 4.350 -0.000 0.000 0.283 73 T C -2.649 172.043 174.700 -0.013 0.000 1.008 73 T CA -1.706 60.399 62.100 0.008 0.000 0.997 73 T CB 1.996 70.846 68.868 -0.029 0.000 0.992 73 T HN -0.087 nan 8.240 nan 0.000 0.454 74 P HA 0.335 nan 4.420 nan 0.000 0.276 74 P C 0.676 177.949 177.300 -0.045 0.000 1.244 74 P CA 0.004 63.098 63.100 -0.010 0.000 0.801 74 P CB 0.679 32.400 31.700 0.034 0.000 1.006 75 G N -0.504 108.261 108.800 -0.059 0.000 2.147 75 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.244 75 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.244 75 G C -0.337 174.499 174.900 -0.107 0.000 1.005 75 G CA 0.108 45.162 45.100 -0.076 0.000 0.713 75 G HN 0.701 nan 8.290 nan 0.000 0.515 76 V N 0.268 120.114 119.914 -0.113 0.000 2.668 76 V HA 0.708 4.827 4.120 -0.000 0.000 0.304 76 V C -0.074 175.942 176.094 -0.130 0.000 1.071 76 V CA -0.054 62.169 62.300 -0.128 0.000 0.894 76 V CB 2.157 33.904 31.823 -0.127 0.000 1.008 76 V HN 0.506 nan 8.190 nan 0.000 0.425 77 S N 4.801 120.419 115.700 -0.136 0.000 2.452 77 S HA 0.329 4.798 4.470 -0.000 0.000 0.284 77 S C 0.713 175.249 174.600 -0.107 0.000 1.171 77 S CA -0.057 58.075 58.200 -0.113 0.000 1.064 77 S CB 1.418 64.557 63.200 -0.103 0.000 0.967 77 S HN 1.053 nan 8.310 nan 0.000 0.484 78 V N 0.881 120.746 119.914 -0.082 0.000 3.565 78 V HA 0.403 4.523 4.120 -0.000 0.000 0.260 78 V C 1.308 177.385 176.094 -0.028 0.000 1.231 78 V CA 0.814 63.069 62.300 -0.076 0.000 1.100 78 V CB -0.336 31.431 31.823 -0.094 0.000 0.807 78 V HN 0.783 nan 8.190 nan 0.000 0.454 79 G N -0.110 108.701 108.800 0.018 0.000 3.337 79 G HA2 0.097 4.057 3.960 -0.000 0.000 0.246 79 G HA3 0.097 4.057 3.960 -0.000 0.000 0.246 79 G C 1.051 176.010 174.900 0.098 0.000 1.131 79 G CA 0.729 45.870 45.100 0.069 0.000 0.773 79 G HN 0.337 nan 8.290 nan 0.000 0.544 80 T N 0.829 115.430 114.554 0.079 0.000 2.653 80 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 80 T C 2.232 176.993 174.700 0.101 0.000 1.037 80 T CA 1.707 63.874 62.100 0.111 0.000 1.159 80 T CB -0.026 68.900 68.868 0.096 0.000 0.859 80 T HN 0.335 nan 8.240 nan 0.000 0.449 81 R N 0.579 121.058 120.500 -0.035 0.000 2.320 81 R HA 0.317 4.657 4.340 -0.000 0.000 0.211 81 R C 1.365 177.571 176.300 -0.156 0.000 0.931 81 R CA 0.659 56.553 56.100 -0.344 0.000 1.071 81 R CB -0.623 29.464 30.300 -0.355 0.000 1.025 81 R HN 0.471 nan 8.270 nan 0.000 0.495 82 G N -0.152 108.655 108.800 0.011 0.000 2.611 82 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.301 82 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.301 82 G C 0.940 175.855 174.900 0.025 0.000 1.233 82 G CA 0.395 45.512 45.100 0.028 0.000 0.993 82 G HN 0.442 nan 8.290 nan 0.000 0.553 83 A N -0.316 122.535 122.820 0.052 0.000 2.125 83 A HA 0.382 4.702 4.320 -0.000 0.000 0.219 83 A C 1.932 179.564 177.584 0.081 0.000 1.156 83 A CA 2.286 54.353 52.037 0.051 0.000 0.671 83 A CB -0.603 18.424 19.000 0.044 0.000 0.794 83 A HN 1.878 nan 8.150 nan 0.000 0.459 84 S N -0.849 114.920 115.700 0.116 0.000 2.568 84 S HA 0.151 4.621 4.470 -0.000 0.000 0.282 84 S C 0.821 175.431 174.600 0.018 0.000 1.338 84 S CA 0.078 58.341 58.200 0.104 0.000 1.045 84 S CB 0.375 63.640 63.200 0.107 0.000 0.873 84 S HN 0.533 nan 8.310 nan 0.000 0.516 85 N N 0.791 119.468 118.700 -0.039 0.000 2.159 85 N HA 0.156 4.896 4.740 -0.000 0.000 0.217 85 N C 1.186 176.570 175.510 -0.210 0.000 1.223 85 N CA 0.196 53.189 53.050 -0.096 0.000 0.896 85 N CB 0.191 38.619 38.487 -0.099 0.000 1.064 85 N HN 0.559 nan 8.380 nan 0.000 0.518 86 T N -0.218 114.136 114.554 -0.333 0.000 2.760 86 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 86 T C -0.255 173.880 174.700 -0.941 0.000 1.047 86 T CA 1.704 63.349 62.100 -0.758 0.000 1.139 86 T CB -0.210 67.948 68.868 -1.185 0.000 0.855 86 T HN 0.186 nan 8.240 nan 0.000 0.471 87 Y N -0.442 119.750 120.300 -0.179 0.000 2.581 87 Y HA 0.418 4.968 4.550 -0.000 0.000 0.345 87 Y C -0.766 175.102 175.900 -0.054 0.000 1.036 87 Y CA -1.975 56.053 58.100 -0.120 0.000 1.042 87 Y CB 1.395 39.786 38.460 -0.116 0.000 1.289 87 Y HN -0.169 nan 8.280 nan 0.000 0.471 88 D N 1.133 121.615 120.400 0.136 0.000 2.540 88 D HA 0.096 4.736 4.640 -0.000 0.000 0.251 88 D C -0.926 175.431 176.300 0.095 0.000 1.159 88 D CA -0.169 53.867 54.000 0.060 0.000 0.974 88 D CB -0.211 40.586 40.800 -0.005 0.000 0.996 88 D HN 0.490 nan 8.370 nan 0.000 0.512 89 H N 1.630 120.703 119.070 0.004 0.000 2.527 89 H HA 0.471 5.026 4.556 -0.000 0.000 0.321 89 H C -0.886 174.414 175.328 -0.047 0.000 1.087 89 H CA -0.171 55.858 56.048 -0.032 0.000 1.337 89 H CB 0.528 30.275 29.762 -0.026 0.000 1.440 89 H HN 0.152 nan 8.280 nan 0.000 0.490 90 L N 6.668 127.565 121.223 -0.543 0.000 2.410 90 L HA 0.390 4.730 4.340 -0.000 0.000 0.270 90 L C -0.521 176.028 176.870 -0.535 0.000 0.983 90 L CA -0.726 53.849 54.840 -0.442 0.000 0.822 90 L CB 2.140 44.053 42.059 -0.243 0.000 1.285 90 L HN 0.583 nan 8.230 nan 0.000 0.409 91 I N 4.392 124.719 120.570 -0.406 0.000 2.325 91 I HA 0.364 4.533 4.170 -0.000 0.000 0.291 91 I C -0.311 175.690 176.117 -0.193 0.000 1.019 91 I CA -0.173 60.961 61.300 -0.276 0.000 1.302 91 I CB 1.023 38.896 38.000 -0.212 0.000 1.401 91 I HN 0.406 nan 8.210 nan 0.000 0.485 92 I N 6.274 126.756 120.570 -0.147 0.000 2.406 92 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 92 I C 0.529 176.604 176.117 -0.070 0.000 0.999 92 I CA -0.932 60.295 61.300 -0.122 0.000 1.124 92 I CB 1.490 39.413 38.000 -0.129 0.000 1.289 92 I HN 0.559 nan 8.210 nan 0.000 0.441 93 R N 4.209 124.657 120.500 -0.088 0.000 3.405 93 R HA -0.239 4.101 4.340 -0.000 0.000 0.258 93 R C 1.041 177.341 176.300 -0.000 0.000 1.030 93 R CA 0.931 57.011 56.100 -0.033 0.000 0.691 93 R CB -1.470 28.750 30.300 -0.133 0.000 1.093 93 R HN 1.206 nan 8.270 nan 0.000 0.448 94 G N -2.681 106.020 108.800 -0.164 0.000 2.284 94 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.261 94 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.261 94 G C 0.134 174.642 174.900 -0.652 0.000 0.997 94 G CA 0.584 45.431 45.100 -0.422 0.000 0.621 94 G HN 0.334 nan 8.290 nan 0.000 0.534 95 F N 0.901 120.770 119.950 -0.134 0.000 2.541 95 F HA 0.869 5.396 4.527 -0.000 0.000 0.331 95 F C 0.561 176.284 175.800 -0.128 0.000 1.057 95 F CA -0.511 57.413 58.000 -0.126 0.000 0.975 95 F CB 1.912 40.839 39.000 -0.121 0.000 1.246 95 F HN 0.402 nan 8.300 nan 0.000 0.484 96 A N 0.260 123.146 122.820 0.111 0.000 2.527 96 A HA 0.879 5.199 4.320 -0.000 0.000 0.293 96 A C -0.885 176.736 177.584 0.062 0.000 1.117 96 A CA -0.614 51.453 52.037 0.050 0.000 0.723 96 A CB 0.808 19.866 19.000 0.095 0.000 1.313 96 A HN 1.039 nan 8.150 nan 0.000 0.411 97 A N 0.012 122.851 122.820 0.033 0.000 2.386 97 A HA 0.452 4.772 4.320 -0.000 0.000 0.246 97 A C 0.542 178.123 177.584 -0.006 0.000 1.089 97 A CA -0.155 51.878 52.037 -0.008 0.000 0.790 97 A CB -0.054 18.927 19.000 -0.031 0.000 1.042 97 A HN 0.808 nan 8.150 nan 0.000 0.497 98 E N 0.102 120.285 120.200 -0.028 0.000 2.752 98 E HA 0.131 4.480 4.350 -0.000 0.000 0.241 98 E C 1.283 177.872 176.600 -0.019 0.000 1.016 98 E CA 1.565 57.955 56.400 -0.017 0.000 0.952 98 E CB -0.313 29.372 29.700 -0.025 0.000 0.921 98 E HN 1.452 nan 8.360 nan 0.000 0.515 99 G N 4.753 113.544 108.800 -0.015 0.000 2.225 99 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 99 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 99 G C 0.458 175.299 174.900 -0.097 0.000 0.988 99 G CA 0.368 45.444 45.100 -0.040 0.000 0.625 99 G HN 0.578 nan 8.290 nan 0.000 0.527 100 Q N -1.508 118.243 119.800 -0.080 0.000 2.430 100 Q HA -0.144 4.195 4.340 -0.000 0.000 0.226 100 Q C 0.565 176.432 176.000 -0.221 0.000 0.681 100 Q CA 1.174 56.889 55.803 -0.147 0.000 1.295 100 Q CB -2.326 26.244 28.738 -0.279 0.000 1.294 100 Q HN 1.003 nan 8.270 nan 0.000 0.805 101 S N 0.816 116.435 115.700 -0.135 0.000 2.572 101 S HA 0.177 4.646 4.470 -0.000 0.000 0.279 101 S C 0.551 175.119 174.600 -0.054 0.000 1.341 101 S CA -0.171 57.946 58.200 -0.139 0.000 1.043 101 S CB 0.617 63.760 63.200 -0.096 0.000 0.887 101 S HN 0.171 nan 8.310 nan 0.000 0.516 102 Q N 1.834 121.593 119.800 -0.067 0.000 2.432 102 Q HA 0.097 4.437 4.340 -0.000 0.000 0.264 102 Q C -0.174 175.797 176.000 -0.048 0.000 1.035 102 Q CA 0.070 55.866 55.803 -0.011 0.000 0.908 102 Q CB 0.258 28.976 28.738 -0.034 0.000 1.280 102 Q HN 0.452 nan 8.270 nan 0.000 0.455 103 N N 1.970 120.645 118.700 -0.042 0.000 2.886 103 N HA 0.145 4.884 4.740 -0.000 0.000 0.285 103 N C -1.722 173.782 175.510 -0.011 0.000 1.706 103 N CA -0.302 52.724 53.050 -0.041 0.000 0.904 103 N CB 0.163 38.625 38.487 -0.042 0.000 1.224 103 N HN 0.373 nan 8.380 nan 0.000 0.488 104 N N 1.131 119.787 118.700 -0.073 0.000 2.392 104 N HA 0.297 5.036 4.740 -0.000 0.000 0.283 104 N C -1.213 174.198 175.510 -0.165 0.000 1.003 104 N CA -0.185 52.827 53.050 -0.064 0.000 0.892 104 N CB 0.676 39.105 38.487 -0.095 0.000 1.193 104 N HN 0.204 nan 8.380 nan 0.000 0.487 105 Y N 0.744 120.922 120.300 -0.204 0.000 2.453 105 Y HA 0.624 5.174 4.550 -0.000 0.000 0.326 105 Y C -0.172 175.620 175.900 -0.181 0.000 1.186 105 Y CA -1.032 56.949 58.100 -0.199 0.000 1.200 105 Y CB 1.339 39.651 38.460 -0.247 0.000 1.247 105 Y HN 0.327 nan 8.280 nan 0.000 0.482 106 L N 3.408 124.585 121.223 -0.077 0.000 2.491 106 L HA 0.462 4.802 4.340 -0.000 0.000 0.267 106 L C -0.774 176.046 176.870 -0.084 0.000 0.971 106 L CA -0.408 54.361 54.840 -0.117 0.000 0.857 106 L CB 0.827 42.768 42.059 -0.197 0.000 1.226 106 L HN 0.758 nan 8.230 nan 0.000 0.408 107 N N 3.863 122.530 118.700 -0.056 0.000 2.776 107 N HA -0.183 4.557 4.740 -0.000 0.000 0.250 107 N C 0.880 176.400 175.510 0.017 0.000 1.112 107 N CA 1.350 54.378 53.050 -0.037 0.000 0.733 107 N CB -1.403 37.042 38.487 -0.070 0.000 1.097 107 N HN 1.347 nan 8.380 nan 0.000 0.558 108 G N -1.227 107.621 108.800 0.081 0.000 2.176 108 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.253 108 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.253 108 G C -0.133 174.934 174.900 0.278 0.000 0.979 108 G CA 0.534 45.743 45.100 0.182 0.000 0.641 108 G HN 0.391 nan 8.290 nan 0.000 0.530 109 L N 0.164 121.481 121.223 0.157 0.000 2.346 109 L HA 0.538 4.878 4.340 -0.000 0.000 0.276 109 L C 0.574 177.331 176.870 -0.188 0.000 1.006 109 L CA -1.061 53.807 54.840 0.046 0.000 0.817 109 L CB 1.936 43.941 42.059 -0.091 0.000 1.272 109 L HN 0.097 nan 8.230 nan 0.000 0.421 110 K N 2.455 122.561 120.400 -0.489 0.000 2.412 110 K HA 0.258 4.577 4.320 -0.000 0.000 0.281 110 K C -0.590 175.668 176.600 -0.570 0.000 1.027 110 K CA -0.286 55.383 56.287 -1.031 0.000 0.989 110 K CB 0.542 32.426 32.500 -1.027 0.000 0.935 110 K HN 0.500 nan 8.250 nan 0.000 0.475 111 L N 5.483 126.395 121.223 -0.519 0.000 2.387 111 L HA 0.097 4.437 4.340 -0.000 0.000 0.267 111 L C 0.293 176.989 176.870 -0.289 0.000 1.197 111 L CA -0.297 54.348 54.840 -0.325 0.000 1.070 111 L CB 0.627 42.533 42.059 -0.255 0.000 1.349 111 L HN 0.512 nan 8.230 nan 0.000 0.422 112 Q N 2.151 121.790 119.800 -0.268 0.000 2.262 112 Q HA 0.208 4.548 4.340 -0.000 0.000 0.272 112 Q C 0.326 176.246 176.000 -0.133 0.000 1.076 112 Q CA 0.131 55.814 55.803 -0.201 0.000 0.905 112 Q CB 1.567 30.201 28.738 -0.173 0.000 1.182 112 Q HN 0.671 nan 8.270 nan 0.000 0.390 113 G N 2.555 111.292 108.800 -0.104 0.000 2.887 113 G HA2 0.496 4.456 3.960 -0.000 0.000 0.277 113 G HA3 0.496 4.456 3.960 -0.000 0.000 0.277 113 G C -0.699 174.187 174.900 -0.024 0.000 1.346 113 G CA -0.446 44.622 45.100 -0.054 0.000 1.058 113 G HN 0.645 nan 8.290 nan 0.000 0.535 114 N N -1.324 117.391 118.700 0.025 0.000 2.521 114 N HA 0.284 5.024 4.740 -0.000 0.000 0.269 114 N C -0.385 175.246 175.510 0.201 0.000 1.079 114 N CA -0.463 52.636 53.050 0.083 0.000 0.980 114 N CB 1.764 40.302 38.487 0.084 0.000 1.667 114 N HN 0.456 nan 8.380 nan 0.000 0.498 115 F N 2.319 122.232 119.950 -0.062 0.000 2.169 115 F HA -0.412 4.114 4.527 -0.000 0.000 0.314 115 F C 0.394 176.118 175.800 -0.126 0.000 0.318 115 F CA 1.507 59.449 58.000 -0.097 0.000 0.904 115 F CB -0.721 38.306 39.000 0.045 0.000 4.078 115 F HN 0.672 nan 8.300 nan 0.000 0.173 116 Y N 0.289 120.471 120.300 -0.197 0.000 2.632 116 Y HA 0.052 4.602 4.550 -0.000 0.000 0.301 116 Y C 1.141 177.086 175.900 0.075 0.000 1.172 116 Y CA 0.974 59.009 58.100 -0.108 0.000 1.328 116 Y CB -0.655 37.762 38.460 -0.071 0.000 1.016 116 Y HN 0.205 nan 8.280 nan 0.000 0.529 117 N N 1.629 120.469 118.700 0.232 0.000 2.521 117 N HA 0.090 4.829 4.740 -0.000 0.000 0.236 117 N C -1.521 174.054 175.510 0.108 0.000 1.067 117 N CA 0.124 53.283 53.050 0.181 0.000 0.939 117 N CB 0.047 38.627 38.487 0.154 0.000 1.201 117 N HN 0.064 nan 8.380 nan 0.000 0.511 118 D N 0.500 120.999 120.400 0.165 0.000 2.819 118 D HA 0.565 5.205 4.640 -0.000 0.000 0.232 118 D C -1.077 175.313 176.300 0.150 0.000 1.160 118 D CA -0.379 53.687 54.000 0.111 0.000 0.858 118 D CB 2.083 42.884 40.800 0.002 0.000 1.610 118 D HN 0.395 nan 8.370 nan 0.000 0.481 119 A N 1.095 123.942 122.820 0.045 0.000 2.337 119 A HA 0.831 5.151 4.320 -0.000 0.000 0.331 119 A C -0.392 177.180 177.584 -0.019 0.000 1.137 119 A CA -0.547 51.495 52.037 0.007 0.000 0.807 119 A CB 1.183 20.159 19.000 -0.039 0.000 1.250 119 A HN 0.435 nan 8.150 nan 0.000 0.468 120 V N -0.997 118.897 119.914 -0.033 0.000 3.102 120 V HA 0.792 4.912 4.120 -0.000 0.000 0.312 120 V C -0.911 175.131 176.094 -0.087 0.000 1.135 120 V CA -0.955 61.306 62.300 -0.065 0.000 1.022 120 V CB 1.836 33.619 31.823 -0.066 0.000 1.056 120 V HN 0.665 nan 8.190 nan 0.000 0.436 121 I N 1.662 122.142 120.570 -0.151 0.000 2.465 121 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 121 I C -0.210 175.844 176.117 -0.105 0.000 1.014 121 I CA -0.106 61.040 61.300 -0.257 0.000 1.093 121 I CB 1.611 39.344 38.000 -0.444 0.000 1.267 121 I HN 0.877 nan 8.210 nan 0.000 0.431 122 D N 8.300 128.724 120.400 0.040 0.000 2.425 122 D HA 0.085 4.725 4.640 -0.000 0.000 0.247 122 D C -1.512 174.789 176.300 0.001 0.000 1.147 122 D CA -1.106 52.916 54.000 0.036 0.000 0.879 122 D CB 1.985 42.847 40.800 0.104 0.000 1.179 122 D HN 0.252 nan 8.370 nan 0.000 0.456 123 P HA -0.171 nan 4.420 nan 0.000 0.225 123 P C 1.150 178.472 177.300 0.036 0.000 1.148 123 P CA 0.633 63.719 63.100 -0.023 0.000 0.779 123 P CB -0.034 31.642 31.700 -0.040 0.000 0.780 124 Y N 1.268 121.517 120.300 -0.086 0.000 2.497 124 Y HA -0.043 4.507 4.550 -0.000 0.000 0.292 124 Y C 1.901 177.751 175.900 -0.084 0.000 1.137 124 Y CA 0.935 58.978 58.100 -0.095 0.000 1.285 124 Y CB -0.524 37.868 38.460 -0.114 0.000 0.991 124 Y HN -0.130 nan 8.280 nan 0.000 0.556 125 M N -0.003 119.560 119.600 -0.061 0.000 2.431 125 M HA 0.207 4.686 4.480 -0.000 0.000 0.237 125 M C -0.373 175.840 176.300 -0.145 0.000 1.130 125 M CA 0.317 55.540 55.300 -0.128 0.000 1.002 125 M CB -0.399 32.227 32.600 0.043 0.000 1.524 125 M HN -0.039 nan 8.290 nan 0.000 0.482 126 L N 0.097 121.239 121.223 -0.134 0.000 2.344 126 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 126 L C 1.202 178.005 176.870 -0.111 0.000 1.035 126 L CA -0.162 54.603 54.840 -0.124 0.000 0.807 126 L CB 1.856 43.850 42.059 -0.108 0.000 1.237 126 L HN 0.131 nan 8.230 nan 0.000 0.442 127 E N 0.573 120.716 120.200 -0.095 0.000 2.340 127 E HA 0.094 4.444 4.350 -0.000 0.000 0.198 127 E C 0.133 176.696 176.600 -0.061 0.000 0.961 127 E CA 0.032 56.386 56.400 -0.076 0.000 0.905 127 E CB 0.866 30.526 29.700 -0.066 0.000 0.884 127 E HN 0.542 nan 8.360 nan 0.000 0.491 128 R N -1.077 119.382 120.500 -0.068 0.000 2.741 128 R HA 0.623 4.963 4.340 -0.000 0.000 0.276 128 R C -2.069 174.187 176.300 -0.074 0.000 1.028 128 R CA -0.483 55.579 56.100 -0.062 0.000 0.865 128 R CB 0.779 31.048 30.300 -0.051 0.000 1.268 128 R HN -0.036 nan 8.270 nan 0.000 0.475 129 A N 1.548 124.324 122.820 -0.073 0.000 2.449 129 A HA 0.654 4.973 4.320 -0.000 0.000 0.302 129 A C -1.387 176.148 177.584 -0.082 0.000 1.048 129 A CA -0.727 51.260 52.037 -0.083 0.000 0.708 129 A CB 1.902 20.850 19.000 -0.087 0.000 1.274 129 A HN 0.733 nan 8.150 nan 0.000 0.410 130 E N 1.481 121.625 120.200 -0.094 0.000 2.272 130 E HA 0.546 4.896 4.350 -0.000 0.000 0.269 130 E C -1.420 175.105 176.600 -0.125 0.000 0.877 130 E CA -0.492 55.848 56.400 -0.101 0.000 0.755 130 E CB 2.541 32.182 29.700 -0.098 0.000 1.192 130 E HN 0.565 nan 8.360 nan 0.000 0.422 131 I N 2.840 123.336 120.570 -0.124 0.000 2.406 131 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 131 I C -0.571 175.453 176.117 -0.155 0.000 0.999 131 I CA -0.808 60.405 61.300 -0.144 0.000 1.124 131 I CB 1.482 39.405 38.000 -0.129 0.000 1.289 131 I HN 0.443 nan 8.210 nan 0.000 0.441 132 M N 7.305 126.789 119.600 -0.194 0.000 2.066 132 M HA 0.440 4.919 4.480 -0.000 0.000 0.340 132 M C -0.775 175.401 176.300 -0.206 0.000 1.053 132 M CA -0.122 55.059 55.300 -0.199 0.000 0.983 132 M CB 0.602 33.062 32.600 -0.233 0.000 1.520 132 M HN 0.425 nan 8.290 nan 0.000 0.428 133 R N 3.374 123.760 120.500 -0.190 0.000 2.459 133 R HA 0.825 5.164 4.340 -0.000 0.000 0.281 133 R C 0.441 176.596 176.300 -0.243 0.000 1.050 133 R CA 0.462 56.431 56.100 -0.217 0.000 1.055 133 R CB 1.098 31.262 30.300 -0.226 0.000 1.045 133 R HN 1.046 nan 8.270 nan 0.000 0.495 134 G N 2.343 110.980 108.800 -0.272 0.000 2.725 134 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.220 134 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.220 134 G C -2.740 172.000 174.900 -0.266 0.000 1.357 134 G CA -1.235 43.695 45.100 -0.282 0.000 0.866 134 G HN 0.420 nan 8.290 nan 0.000 0.548 135 P HA 0.424 nan 4.420 nan 0.000 0.271 135 P C 0.637 177.788 177.300 -0.248 0.000 1.218 135 P CA 0.610 63.540 63.100 -0.283 0.000 0.780 135 P CB 1.091 32.593 31.700 -0.331 0.000 0.901 136 V N -1.341 118.445 119.914 -0.212 0.000 3.399 136 V HA 0.144 4.264 4.120 -0.000 0.000 0.357 136 V C 1.092 177.134 176.094 -0.086 0.000 1.480 136 V CA -0.014 62.204 62.300 -0.136 0.000 1.263 136 V CB -0.306 31.458 31.823 -0.099 0.000 1.103 136 V HN 0.272 nan 8.190 nan 0.000 0.533 137 S N 0.634 116.251 115.700 -0.139 0.000 2.423 137 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 137 S C 1.893 176.427 174.600 -0.111 0.000 1.014 137 S CA 1.647 59.792 58.200 -0.091 0.000 0.965 137 S CB 0.245 63.425 63.200 -0.033 0.000 0.785 137 S HN 0.515 nan 8.310 nan 0.000 0.495 138 V N 1.076 120.895 119.914 -0.159 0.000 2.636 138 V HA -0.134 3.985 4.120 -0.000 0.000 0.258 138 V C 1.411 177.361 176.094 -0.240 0.000 1.092 138 V CA 1.628 63.826 62.300 -0.171 0.000 1.110 138 V CB -0.247 31.480 31.823 -0.160 0.000 0.685 138 V HN 0.478 nan 8.190 nan 0.000 0.481 139 L N -2.872 118.139 121.223 -0.354 0.000 2.749 139 L HA 0.208 4.548 4.340 -0.000 0.000 0.242 139 L C 1.174 177.405 176.870 -1.065 0.000 1.103 139 L CA 0.218 54.589 54.840 -0.782 0.000 0.906 139 L CB 0.427 41.999 42.059 -0.810 0.000 1.228 139 L HN 0.323 nan 8.230 nan 0.000 0.517 140 Y N -0.692 119.409 120.300 -0.330 0.000 2.563 140 Y HA 0.536 5.086 4.550 -0.000 0.000 0.250 140 Y C 1.253 177.097 175.900 -0.093 0.000 1.126 140 Y CA 0.035 58.001 58.100 -0.224 0.000 1.231 140 Y CB 0.694 38.966 38.460 -0.314 0.000 1.288 140 Y HN 0.059 nan 8.280 nan 0.000 0.537 141 G N 1.700 110.520 108.800 0.034 0.000 2.615 141 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 141 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 141 G C -0.619 174.180 174.900 -0.168 0.000 1.339 141 G CA -0.663 44.500 45.100 0.104 0.000 0.884 141 G HN 0.354 nan 8.290 nan 0.000 0.559 142 K N -0.765 119.381 120.400 -0.424 0.000 2.504 142 K HA 0.453 4.772 4.320 -0.000 0.000 0.278 142 K C 0.083 176.406 176.600 -0.462 0.000 1.025 142 K CA 0.864 56.562 56.287 -0.982 0.000 1.093 142 K CB 0.764 32.890 32.500 -0.624 0.000 0.873 142 K HN 1.362 nan 8.250 nan 0.000 0.483 143 S N 1.743 117.146 115.700 -0.495 0.000 2.552 143 S HA 0.236 4.706 4.470 -0.000 0.000 0.272 143 S C -1.198 173.229 174.600 -0.288 0.000 1.150 143 S CA -0.680 57.351 58.200 -0.282 0.000 0.849 143 S CB 1.484 64.550 63.200 -0.223 0.000 1.113 143 S HN 0.823 nan 8.310 nan 0.000 0.458 144 S N 3.661 119.235 115.700 -0.211 0.000 2.564 144 S HA 0.546 5.016 4.470 -0.000 0.000 0.278 144 S C -2.325 172.130 174.600 -0.241 0.000 1.333 144 S CA -0.798 57.286 58.200 -0.194 0.000 1.048 144 S CB 0.464 63.593 63.200 -0.118 0.000 0.900 144 S HN 0.581 nan 8.310 nan 0.000 0.505 145 P HA 0.379 nan 4.420 nan 0.000 0.272 145 P C 1.020 178.127 177.300 -0.322 0.000 1.230 145 P CA 0.633 63.487 63.100 -0.411 0.000 0.788 145 P CB 0.615 31.925 31.700 -0.649 0.000 0.949 146 G N -0.156 108.494 108.800 -0.250 0.000 2.792 146 G HA2 0.178 4.137 3.960 -0.000 0.000 0.201 146 G HA3 0.178 4.137 3.960 -0.000 0.000 0.201 146 G C 0.247 175.049 174.900 -0.163 0.000 1.322 146 G CA 0.536 45.576 45.100 -0.100 0.000 0.910 146 G HN 1.052 nan 8.290 nan 0.000 0.535 147 G N -0.816 107.872 108.800 -0.187 0.000 2.340 147 G HA2 0.548 4.507 3.960 -0.000 0.000 0.282 147 G HA3 0.548 4.507 3.960 -0.000 0.000 0.282 147 G C -1.448 173.321 174.900 -0.219 0.000 1.312 147 G CA 0.045 45.018 45.100 -0.212 0.000 0.942 147 G HN 1.834 nan 8.290 nan 0.000 0.495 148 L N -1.058 120.012 121.223 -0.254 0.000 2.518 148 L HA 0.913 5.253 4.340 -0.000 0.000 0.257 148 L C -1.890 174.831 176.870 -0.247 0.000 0.980 148 L CA -1.166 53.511 54.840 -0.273 0.000 0.837 148 L CB 2.074 43.834 42.059 -0.499 0.000 1.410 148 L HN 1.205 nan 8.230 nan 0.000 0.410 149 L N 2.961 124.087 121.223 -0.161 0.000 2.313 149 L HA 0.592 4.931 4.340 -0.000 0.000 0.283 149 L C -1.273 175.530 176.870 -0.111 0.000 1.013 149 L CA 0.119 54.877 54.840 -0.137 0.000 0.816 149 L CB 1.496 43.494 42.059 -0.101 0.000 1.236 149 L HN 0.732 nan 8.230 nan 0.000 0.419 150 N N 5.010 123.624 118.700 -0.143 0.000 2.443 150 N HA 0.592 5.332 4.740 -0.000 0.000 0.269 150 N C -1.293 174.163 175.510 -0.090 0.000 0.985 150 N CA -0.309 52.681 53.050 -0.101 0.000 0.921 150 N CB 1.137 39.535 38.487 -0.148 0.000 1.195 150 N HN 0.684 nan 8.380 nan 0.000 0.492 151 M N 1.793 121.343 119.600 -0.084 0.000 2.423 151 M HA 0.499 4.979 4.480 -0.000 0.000 0.335 151 M C -0.710 175.529 176.300 -0.101 0.000 1.177 151 M CA -1.011 54.227 55.300 -0.104 0.000 1.038 151 M CB 1.944 34.465 32.600 -0.131 0.000 1.641 151 M HN 0.077 nan 8.290 nan 0.000 0.455 152 V N 1.344 121.198 119.914 -0.099 0.000 2.540 152 V HA 0.332 4.452 4.120 -0.000 0.000 0.302 152 V C -0.166 175.865 176.094 -0.106 0.000 1.035 152 V CA -0.836 61.410 62.300 -0.090 0.000 0.873 152 V CB 1.901 33.683 31.823 -0.069 0.000 0.992 152 V HN 0.919 nan 8.190 nan 0.000 0.428 153 S N 3.649 119.282 115.700 -0.112 0.000 2.560 153 S HA 0.177 4.646 4.470 -0.000 0.000 0.284 153 S C 0.231 174.778 174.600 -0.088 0.000 1.327 153 S CA -0.282 57.848 58.200 -0.116 0.000 1.055 153 S CB 0.240 63.373 63.200 -0.110 0.000 0.868 153 S HN 0.599 nan 8.310 nan 0.000 0.506 154 K N 2.468 122.812 120.400 -0.094 0.000 2.448 154 K HA 0.145 4.465 4.320 -0.000 0.000 0.278 154 K C 0.083 176.656 176.600 -0.045 0.000 1.009 154 K CA -0.080 56.157 56.287 -0.083 0.000 0.995 154 K CB 0.349 32.776 32.500 -0.122 0.000 0.917 154 K HN 0.379 nan 8.250 nan 0.000 0.481 155 R N 2.480 122.961 120.500 -0.031 0.000 2.902 155 R HA 0.444 4.784 4.340 -0.000 0.000 0.258 155 R C -2.604 173.697 176.300 0.002 0.000 1.071 155 R CA -2.937 53.162 56.100 -0.002 0.000 1.024 155 R CB -0.445 29.853 30.300 -0.004 0.000 1.184 155 R HN 0.384 nan 8.270 nan 0.000 0.492 156 P HA 0.024 nan 4.420 nan 0.000 0.266 156 P C -0.213 177.066 177.300 -0.035 0.000 1.195 156 P CA 0.363 63.455 63.100 -0.013 0.000 0.768 156 P CB 0.439 32.120 31.700 -0.032 0.000 0.838 157 T N -1.421 113.105 114.554 -0.046 0.000 2.918 157 T HA 0.257 4.607 4.350 -0.000 0.000 0.283 157 T C 1.371 176.044 174.700 -0.044 0.000 1.001 157 T CA -0.278 61.800 62.100 -0.037 0.000 1.041 157 T CB 0.534 69.389 68.868 -0.023 0.000 1.028 157 T HN 0.417 nan 8.240 nan 0.000 0.511 158 T N -0.546 113.990 114.554 -0.031 0.000 2.639 158 T HA -0.044 4.306 4.350 -0.000 0.000 0.261 158 T C 0.910 175.597 174.700 -0.021 0.000 1.053 158 T CA 0.773 62.856 62.100 -0.028 0.000 1.158 158 T CB -0.568 68.287 68.868 -0.023 0.000 0.863 158 T HN 0.886 nan 8.240 nan 0.000 0.413 159 E N 3.606 123.801 120.200 -0.008 0.000 2.371 159 E HA 0.291 4.640 4.350 -0.000 0.000 0.257 159 E C -2.944 173.663 176.600 0.011 0.000 1.134 159 E CA -2.469 53.934 56.400 0.006 0.000 0.919 159 E CB -0.277 29.432 29.700 0.015 0.000 1.025 159 E HN 0.173 nan 8.360 nan 0.000 0.438 160 P HA 0.295 nan 4.420 nan 0.000 0.274 160 P C -0.896 176.456 177.300 0.086 0.000 1.237 160 P CA -0.513 62.618 63.100 0.053 0.000 0.793 160 P CB 0.472 32.216 31.700 0.074 0.000 0.977 161 L N 1.482 122.781 121.223 0.127 0.000 2.516 161 L HA 0.506 4.846 4.340 -0.000 0.000 0.267 161 L C -1.167 175.881 176.870 0.296 0.000 0.957 161 L CA -0.260 54.674 54.840 0.158 0.000 0.860 161 L CB 1.836 43.951 42.059 0.094 0.000 1.265 161 L HN 0.150 nan 8.230 nan 0.000 0.403 162 K N 4.185 124.784 120.400 0.331 0.000 2.626 162 K HA 0.429 4.749 4.320 -0.000 0.000 0.223 162 K C -1.251 175.487 176.600 0.230 0.000 0.992 162 K CA -0.293 56.348 56.287 0.589 0.000 1.024 162 K CB 1.372 34.205 32.500 0.556 0.000 1.225 162 K HN 0.609 nan 8.250 nan 0.000 0.498 163 E N 2.319 122.444 120.200 -0.126 0.000 2.212 163 E HA 0.499 4.849 4.350 -0.000 0.000 0.268 163 E C -1.280 175.127 176.600 -0.321 0.000 0.902 163 E CA -0.938 55.354 56.400 -0.179 0.000 0.779 163 E CB 1.727 31.366 29.700 -0.101 0.000 1.172 163 E HN 0.122 nan 8.360 nan 0.000 0.409 164 V N 3.639 123.419 119.914 -0.225 0.000 2.709 164 V HA 0.372 4.492 4.120 -0.000 0.000 0.308 164 V C -0.755 175.110 176.094 -0.381 0.000 1.062 164 V CA -0.683 61.447 62.300 -0.284 0.000 0.901 164 V CB 1.961 33.639 31.823 -0.242 0.000 1.003 164 V HN 0.710 nan 8.190 nan 0.000 0.425 165 Q N 2.603 122.033 119.800 -0.617 0.000 2.359 165 Q HA 0.724 5.063 4.340 -0.000 0.000 0.274 165 Q C -2.222 173.329 176.000 -0.750 0.000 1.074 165 Q CA -0.472 54.981 55.803 -0.583 0.000 0.810 165 Q CB 2.434 30.920 28.738 -0.421 0.000 1.342 165 Q HN 0.610 nan 8.270 nan 0.000 0.427 166 F N 1.124 120.996 119.950 -0.130 0.000 2.576 166 F HA 0.599 5.125 4.527 -0.000 0.000 0.313 166 F C -0.441 175.319 175.800 -0.066 0.000 1.078 166 F CA -0.716 57.257 58.000 -0.045 0.000 0.921 166 F CB 2.263 41.279 39.000 0.027 0.000 1.232 166 F HN 0.288 nan 8.300 nan 0.000 0.459 167 K N 1.423 121.936 120.400 0.189 0.000 2.501 167 K HA 0.874 5.194 4.320 -0.000 0.000 0.252 167 K C -1.616 175.032 176.600 0.081 0.000 0.934 167 K CA -0.950 55.379 56.287 0.069 0.000 0.797 167 K CB 2.671 35.153 32.500 -0.030 0.000 1.270 167 K HN 0.709 nan 8.250 nan 0.000 0.431 168 A N 1.554 124.380 122.820 0.009 0.000 2.398 168 A HA 0.862 5.182 4.320 -0.000 0.000 0.301 168 A C -0.720 176.766 177.584 -0.164 0.000 1.041 168 A CA -0.475 51.493 52.037 -0.115 0.000 0.711 168 A CB 1.730 20.754 19.000 0.039 0.000 1.240 168 A HN 0.767 nan 8.150 nan 0.000 0.420 169 G N -0.048 108.569 108.800 -0.306 0.000 2.866 169 G HA2 0.655 4.615 3.960 -0.000 0.000 0.289 169 G HA3 0.655 4.615 3.960 -0.000 0.000 0.289 169 G C -0.349 174.423 174.900 -0.213 0.000 1.396 169 G CA -0.185 44.796 45.100 -0.199 0.000 0.848 169 G HN 0.839 nan 8.290 nan 0.000 0.515 170 T N 0.585 115.061 114.554 -0.131 0.000 2.856 170 T HA 0.297 4.647 4.350 -0.000 0.000 0.306 170 T C 0.205 174.835 174.700 -0.116 0.000 1.062 170 T CA 0.796 62.836 62.100 -0.102 0.000 1.083 170 T CB 0.542 69.370 68.868 -0.067 0.000 0.984 170 T HN 0.637 nan 8.240 nan 0.000 0.542 171 D N -0.349 119.998 120.400 -0.088 0.000 3.079 171 D HA -0.195 4.445 4.640 -0.000 0.000 0.214 171 D C 0.399 176.646 176.300 -0.088 0.000 1.145 171 D CA 1.296 55.251 54.000 -0.075 0.000 0.958 171 D CB -1.458 39.301 40.800 -0.069 0.000 1.117 171 D HN 0.732 nan 8.370 nan 0.000 0.416 172 S N -1.647 113.966 115.700 -0.144 0.000 3.696 172 S HA -0.235 4.235 4.470 -0.000 0.000 0.302 172 S C -0.013 174.390 174.600 -0.329 0.000 1.182 172 S CA 0.429 58.514 58.200 -0.192 0.000 0.857 172 S CB -0.987 62.216 63.200 0.004 0.000 0.960 172 S HN 0.461 nan 8.310 nan 0.000 0.559 173 L N 2.153 123.133 121.223 -0.404 0.000 2.410 173 L HA 0.669 5.009 4.340 -0.000 0.000 0.273 173 L C -0.627 175.837 176.870 -0.676 0.000 1.144 173 L CA 0.710 55.334 54.840 -0.359 0.000 0.863 173 L CB -0.168 41.744 42.059 -0.245 0.000 1.140 173 L HN 0.150 nan 8.230 nan 0.000 0.463 174 F N 4.331 124.278 119.950 -0.004 0.000 2.579 174 F HA 0.491 5.018 4.527 -0.000 0.000 0.325 174 F C -0.086 175.718 175.800 0.008 0.000 1.162 174 F CA -0.478 57.533 58.000 0.020 0.000 0.946 174 F CB 1.559 40.581 39.000 0.036 0.000 1.211 174 F HN 0.495 nan 8.300 nan 0.000 0.447 175 Q N 1.708 121.599 119.800 0.152 0.000 2.347 175 Q HA 0.623 4.963 4.340 -0.000 0.000 0.271 175 Q C -1.407 174.649 176.000 0.093 0.000 1.064 175 Q CA -0.554 55.285 55.803 0.060 0.000 0.800 175 Q CB 2.558 31.255 28.738 -0.069 0.000 1.304 175 Q HN 0.641 nan 8.270 nan 0.000 0.438 176 T N 1.774 116.369 114.554 0.068 0.000 2.841 176 T HA 0.829 5.179 4.350 -0.000 0.000 0.285 176 T C -0.959 173.707 174.700 -0.057 0.000 0.991 176 T CA -0.197 61.932 62.100 0.049 0.000 0.966 176 T CB 1.078 70.077 68.868 0.218 0.000 0.962 176 T HN 0.735 nan 8.240 nan 0.000 0.438 177 G N 3.143 111.819 108.800 -0.207 0.000 2.690 177 G HA2 0.754 4.713 3.960 -0.000 0.000 0.291 177 G HA3 0.754 4.713 3.960 -0.000 0.000 0.291 177 G C -1.631 173.240 174.900 -0.047 0.000 1.403 177 G CA -0.850 44.162 45.100 -0.148 0.000 0.864 177 G HN 0.722 nan 8.290 nan 0.000 0.480 178 F N -0.913 119.005 119.950 -0.052 0.000 2.613 178 F HA 0.860 5.387 4.527 -0.000 0.000 0.314 178 F C -1.513 174.151 175.800 -0.226 0.000 1.075 178 F CA -1.814 56.037 58.000 -0.248 0.000 0.945 178 F CB 2.652 41.407 39.000 -0.410 0.000 1.310 178 F HN 0.351 nan 8.300 nan 0.000 0.467 179 D N 1.770 121.902 120.400 -0.446 0.000 2.323 179 D HA 0.367 5.007 4.640 -0.000 0.000 0.242 179 D C -1.972 174.083 176.300 -0.408 0.000 1.347 179 D CA -0.092 53.673 54.000 -0.391 0.000 0.988 179 D CB 0.798 41.394 40.800 -0.340 0.000 1.314 179 D HN 0.378 nan 8.370 nan 0.000 0.564 180 F N 1.082 121.196 119.950 0.273 0.000 2.482 180 F HA 0.607 5.133 4.527 -0.000 0.000 0.331 180 F C 0.547 176.518 175.800 0.284 0.000 1.115 180 F CA -0.826 57.339 58.000 0.275 0.000 0.955 180 F CB 2.317 41.526 39.000 0.349 0.000 1.136 180 F HN 0.019 nan 8.300 nan 0.000 0.452 181 S N 1.911 117.807 115.700 0.326 0.000 2.548 181 S HA 0.683 5.152 4.470 -0.000 0.000 0.276 181 S C -1.840 172.639 174.600 -0.201 0.000 1.129 181 S CA -0.359 57.853 58.200 0.020 0.000 0.931 181 S CB 1.449 64.651 63.200 0.004 0.000 1.068 181 S HN 0.688 nan 8.310 nan 0.000 0.480 182 D N 0.630 120.595 120.400 -0.726 0.000 2.639 182 D HA 0.497 5.137 4.640 -0.000 0.000 0.271 182 D C -1.137 174.899 176.300 -0.439 0.000 1.254 182 D CA -0.188 53.544 54.000 -0.447 0.000 0.810 182 D CB 2.245 42.918 40.800 -0.212 0.000 1.351 182 D HN 0.425 nan 8.370 nan 0.000 0.427 183 S N 0.550 116.164 115.700 -0.144 0.000 2.585 183 S HA 0.380 4.850 4.470 -0.000 0.000 0.277 183 S C 0.929 175.578 174.600 0.081 0.000 1.241 183 S CA -0.655 57.529 58.200 -0.026 0.000 1.041 183 S CB 1.005 64.211 63.200 0.010 0.000 0.987 183 S HN 0.371 nan 8.310 nan 0.000 0.512 184 L N 1.957 123.291 121.223 0.184 0.000 2.607 184 L HA 0.264 4.604 4.340 -0.000 0.000 0.228 184 L C 0.234 177.240 176.870 0.227 0.000 1.123 184 L CA 0.488 55.474 54.840 0.244 0.000 0.890 184 L CB -0.561 41.690 42.059 0.321 0.000 1.103 184 L HN 0.758 nan 8.230 nan 0.000 0.468 185 D N -2.527 117.990 120.400 0.195 0.000 2.622 185 D HA 0.051 4.690 4.640 -0.000 0.000 0.255 185 D C -0.517 175.843 176.300 0.100 0.000 1.246 185 D CA -0.415 53.687 54.000 0.170 0.000 0.795 185 D CB 1.311 42.257 40.800 0.244 0.000 1.369 185 D HN -0.256 nan 8.370 nan 0.000 0.425 186 D N -0.118 120.326 120.400 0.074 0.000 2.355 186 D HA -0.004 4.636 4.640 -0.000 0.000 0.218 186 D C 0.466 176.782 176.300 0.027 0.000 1.004 186 D CA 0.492 54.520 54.000 0.046 0.000 0.880 186 D CB 0.437 41.261 40.800 0.040 0.000 0.911 186 D HN 0.375 nan 8.370 nan 0.000 0.528 187 D N -0.271 120.142 120.400 0.022 0.000 2.367 187 D HA 0.077 4.717 4.640 -0.000 0.000 0.207 187 D C 1.183 177.468 176.300 -0.024 0.000 1.034 187 D CA 0.341 54.337 54.000 -0.006 0.000 0.861 187 D CB 1.082 41.872 40.800 -0.016 0.000 0.943 187 D HN 0.185 nan 8.370 nan 0.000 0.515 188 G N 1.878 110.674 108.800 -0.007 0.000 2.212 188 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.255 188 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.255 188 G C 0.907 175.766 174.900 -0.068 0.000 1.062 188 G CA 0.452 45.541 45.100 -0.019 0.000 0.815 188 G HN 0.347 nan 8.290 nan 0.000 0.497 189 V N -1.138 118.692 119.914 -0.139 0.000 2.951 189 V HA 0.388 4.507 4.120 -0.000 0.000 0.255 189 V C 0.511 176.446 176.094 -0.264 0.000 1.088 189 V CA 0.953 63.073 62.300 -0.300 0.000 1.109 189 V CB -0.202 31.345 31.823 -0.460 0.000 0.724 189 V HN 0.436 nan 8.190 nan 0.000 0.471 190 Y N 0.810 121.189 120.300 0.131 0.000 2.326 190 Y HA 0.691 5.241 4.550 -0.000 0.000 0.329 190 Y C 0.176 176.042 175.900 -0.057 0.000 0.973 190 Y CA -0.740 57.409 58.100 0.082 0.000 1.162 190 Y CB 1.754 40.360 38.460 0.243 0.000 1.147 190 Y HN 0.173 nan 8.280 nan 0.000 0.456 191 S N 2.234 117.856 115.700 -0.130 0.000 2.588 191 S HA 0.857 5.327 4.470 -0.000 0.000 0.275 191 S C -1.469 172.998 174.600 -0.221 0.000 1.130 191 S CA -0.851 57.254 58.200 -0.158 0.000 0.855 191 S CB 2.142 65.257 63.200 -0.141 0.000 1.116 191 S HN 0.568 nan 8.310 nan 0.000 0.472 192 Y N -0.508 119.817 120.300 0.041 0.000 2.665 192 Y HA 0.882 5.432 4.550 -0.000 0.000 0.336 192 Y C -0.642 175.362 175.900 0.172 0.000 1.085 192 Y CA -1.372 56.830 58.100 0.171 0.000 1.096 192 Y CB 1.223 39.893 38.460 0.350 0.000 1.301 192 Y HN 1.038 nan 8.280 nan 0.000 0.493 193 R N 1.470 122.316 120.500 0.575 0.000 2.604 193 R HA 0.699 5.039 4.340 -0.000 0.000 0.270 193 R C -2.688 173.875 176.300 0.439 0.000 1.052 193 R CA -0.890 55.474 56.100 0.441 0.000 0.902 193 R CB 2.048 32.457 30.300 0.183 0.000 1.233 193 R HN 0.878 nan 8.270 nan 0.000 0.455 194 L N 2.484 123.955 121.223 0.412 0.000 2.446 194 L HA 0.515 4.855 4.340 -0.000 0.000 0.268 194 L C -1.499 175.464 176.870 0.155 0.000 0.975 194 L CA 0.094 55.137 54.840 0.338 0.000 0.848 194 L CB 2.388 44.719 42.059 0.454 0.000 1.225 194 L HN 0.656 nan 8.230 nan 0.000 0.410 195 T N 3.120 117.626 114.554 -0.079 0.000 2.829 195 T HA 0.892 5.242 4.350 -0.000 0.000 0.280 195 T C -0.095 174.276 174.700 -0.549 0.000 0.999 195 T CA -0.503 61.355 62.100 -0.404 0.000 0.983 195 T CB 1.664 70.329 68.868 -0.339 0.000 0.968 195 T HN 0.781 nan 8.240 nan 0.000 0.446 196 G N 1.602 109.759 108.800 -1.072 0.000 2.660 196 G HA2 0.761 4.720 3.960 -0.000 0.000 0.294 196 G HA3 0.761 4.720 3.960 -0.000 0.000 0.294 196 G C -1.771 172.935 174.900 -0.323 0.000 1.369 196 G CA -0.935 43.755 45.100 -0.683 0.000 0.912 196 G HN 0.893 nan 8.290 nan 0.000 0.479 197 L N -1.480 119.697 121.223 -0.077 0.000 2.556 197 L HA 0.969 5.308 4.340 -0.000 0.000 0.257 197 L C -0.609 176.271 176.870 0.017 0.000 0.955 197 L CA -1.195 53.623 54.840 -0.036 0.000 0.850 197 L CB 1.775 43.788 42.059 -0.077 0.000 1.398 197 L HN 1.155 nan 8.230 nan 0.000 0.412 198 A N 2.449 125.288 122.820 0.032 0.000 2.343 198 A HA 0.955 5.275 4.320 -0.000 0.000 0.308 198 A C -0.774 176.777 177.584 -0.055 0.000 1.092 198 A CA -0.622 51.436 52.037 0.034 0.000 0.751 198 A CB 1.490 20.661 19.000 0.285 0.000 1.203 198 A HN 0.893 nan 8.150 nan 0.000 0.452 199 R N 0.958 121.338 120.500 -0.200 0.000 2.740 199 R HA 0.754 5.093 4.340 -0.000 0.000 0.273 199 R C -1.379 174.839 176.300 -0.137 0.000 0.998 199 R CA 0.160 56.180 56.100 -0.132 0.000 0.900 199 R CB 2.132 32.334 30.300 -0.163 0.000 1.223 199 R HN 1.284 nan 8.270 nan 0.000 0.466 200 S N 1.079 116.755 115.700 -0.040 0.000 2.558 200 S HA 0.819 5.289 4.470 -0.000 0.000 0.277 200 S C -1.691 172.911 174.600 0.003 0.000 1.143 200 S CA -0.309 57.885 58.200 -0.009 0.000 0.865 200 S CB 1.812 65.054 63.200 0.070 0.000 1.102 200 S HN 0.973 nan 8.310 nan 0.000 0.454 201 A N 1.978 124.790 122.820 -0.014 0.000 2.564 201 A HA 0.806 5.126 4.320 -0.000 0.000 0.291 201 A C -1.568 176.007 177.584 -0.016 0.000 1.102 201 A CA -1.123 50.895 52.037 -0.032 0.000 0.660 201 A CB 0.703 19.659 19.000 -0.073 0.000 1.283 201 A HN 0.891 nan 8.150 nan 0.000 0.430 202 N N 0.049 118.736 118.700 -0.020 0.000 2.443 202 N HA 0.597 5.337 4.740 -0.000 0.000 0.295 202 N C 0.059 175.556 175.510 -0.022 0.000 1.076 202 N CA -0.096 52.948 53.050 -0.010 0.000 0.919 202 N CB 1.850 40.334 38.487 -0.005 0.000 1.176 202 N HN 0.993 nan 8.380 nan 0.000 0.487 203 A N 0.858 123.672 122.820 -0.011 0.000 2.406 203 A HA -0.020 4.300 4.320 -0.000 0.000 0.243 203 A C 1.398 178.964 177.584 -0.031 0.000 1.082 203 A CA -0.129 51.903 52.037 -0.009 0.000 0.786 203 A CB 0.246 19.264 19.000 0.030 0.000 1.029 203 A HN 0.929 nan 8.150 nan 0.000 0.495 204 Q N 0.193 119.967 119.800 -0.043 0.000 2.152 204 Q HA -0.194 4.145 4.340 -0.000 0.000 0.206 204 Q C 0.195 176.135 176.000 -0.101 0.000 0.985 204 Q CA 1.612 57.372 55.803 -0.071 0.000 0.863 204 Q CB -0.149 28.546 28.738 -0.072 0.000 0.904 204 Q HN 0.772 nan 8.270 nan 0.000 0.422 205 Q N 1.783 121.502 119.800 -0.135 0.000 2.304 205 Q HA 0.160 4.500 4.340 -0.000 0.000 0.260 205 Q C -0.706 175.237 176.000 -0.095 0.000 0.965 205 Q CA -0.022 55.668 55.803 -0.189 0.000 0.898 205 Q CB 0.889 29.392 28.738 -0.393 0.000 1.196 205 Q HN 0.100 nan 8.270 nan 0.000 0.402 206 K N 0.606 120.960 120.400 -0.078 0.000 2.484 206 K HA 0.068 4.388 4.320 -0.000 0.000 0.280 206 K C 0.905 177.496 176.600 -0.014 0.000 1.013 206 K CA 1.271 57.538 56.287 -0.033 0.000 1.029 206 K CB 0.206 32.697 32.500 -0.015 0.000 0.902 206 K HN 0.974 nan 8.250 nan 0.000 0.481 207 G N 2.070 110.874 108.800 0.007 0.000 2.253 207 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.251 207 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.251 207 G C 0.113 175.034 174.900 0.036 0.000 0.998 207 G CA 0.224 45.339 45.100 0.024 0.000 0.621 207 G HN 0.555 nan 8.290 nan 0.000 0.524 208 S N 1.088 116.809 115.700 0.036 0.000 2.541 208 S HA 0.641 5.111 4.470 -0.000 0.000 0.283 208 S C 0.012 174.631 174.600 0.032 0.000 1.196 208 S CA -0.286 57.947 58.200 0.055 0.000 1.062 208 S CB 1.519 64.785 63.200 0.111 0.000 1.009 208 S HN 0.551 nan 8.310 nan 0.000 0.502 209 E N 1.400 121.616 120.200 0.027 0.000 2.393 209 E HA 0.618 4.968 4.350 -0.000 0.000 0.265 209 E C -1.221 175.374 176.600 -0.007 0.000 0.941 209 E CA -0.960 55.447 56.400 0.011 0.000 0.801 209 E CB 1.488 31.199 29.700 0.019 0.000 1.313 209 E HN 0.472 nan 8.360 nan 0.000 0.435 210 E N 0.436 120.622 120.200 -0.024 0.000 2.292 210 E HA 0.344 4.693 4.350 -0.000 0.000 0.272 210 E C -1.354 175.207 176.600 -0.066 0.000 0.881 210 E CA -0.586 55.779 56.400 -0.058 0.000 0.754 210 E CB 2.139 31.793 29.700 -0.077 0.000 1.201 210 E HN 0.245 nan 8.360 nan 0.000 0.425 211 Q N 1.651 121.396 119.800 -0.092 0.000 2.359 211 Q HA 0.546 4.886 4.340 -0.000 0.000 0.274 211 Q C -1.223 174.611 176.000 -0.277 0.000 1.074 211 Q CA -0.815 54.898 55.803 -0.150 0.000 0.810 211 Q CB 3.204 31.914 28.738 -0.047 0.000 1.342 211 Q HN 0.276 nan 8.270 nan 0.000 0.427 212 R N 1.849 122.048 120.500 -0.502 0.000 2.564 212 R HA 0.483 4.822 4.340 -0.000 0.000 0.284 212 R C -1.905 173.881 176.300 -0.858 0.000 1.031 212 R CA -0.430 55.367 56.100 -0.504 0.000 0.904 212 R CB 1.237 31.376 30.300 -0.269 0.000 1.199 212 R HN 0.598 nan 8.270 nan 0.000 0.443 213 Y N 1.636 121.924 120.300 -0.021 0.000 2.350 213 Y HA 0.721 5.271 4.550 -0.000 0.000 0.338 213 Y C -0.234 175.630 175.900 -0.058 0.000 0.961 213 Y CA -0.678 57.411 58.100 -0.018 0.000 1.100 213 Y CB 2.569 41.028 38.460 -0.001 0.000 1.179 213 Y HN 0.707 nan 8.280 nan 0.000 0.454 214 A N 3.499 126.321 122.820 0.003 0.000 2.437 214 A HA 0.741 5.061 4.320 -0.000 0.000 0.293 214 A C -2.069 175.454 177.584 -0.101 0.000 1.038 214 A CA -0.497 51.463 52.037 -0.129 0.000 0.708 214 A CB 1.027 19.910 19.000 -0.195 0.000 1.251 214 A HN 0.566 nan 8.150 nan 0.000 0.409 215 I N 2.045 122.549 120.570 -0.110 0.000 2.447 215 I HA 0.698 4.868 4.170 -0.000 0.000 0.287 215 I C 0.012 176.141 176.117 0.021 0.000 1.023 215 I CA -0.602 60.694 61.300 -0.005 0.000 1.083 215 I CB 1.724 39.795 38.000 0.117 0.000 1.245 215 I HN 0.856 nan 8.210 nan 0.000 0.434 216 A N 9.270 132.120 122.820 0.050 0.000 2.394 216 A HA 0.808 5.127 4.320 -0.000 0.000 0.333 216 A C -2.714 174.973 177.584 0.173 0.000 1.397 216 A CA -1.324 50.800 52.037 0.145 0.000 0.884 216 A CB -0.141 18.972 19.000 0.187 0.000 1.147 216 A HN 0.426 nan 8.150 nan 0.000 0.505 217 P HA 0.526 nan 4.420 nan 0.000 0.286 217 P C -0.470 176.999 177.300 0.281 0.000 1.269 217 P CA 0.057 63.343 63.100 0.309 0.000 0.787 217 P CB 1.756 33.694 31.700 0.397 0.000 0.920 218 A N 3.287 126.318 122.820 0.352 0.000 2.435 218 A HA 0.813 5.133 4.320 -0.000 0.000 0.304 218 A C -1.800 176.125 177.584 0.568 0.000 1.064 218 A CA -0.538 51.717 52.037 0.362 0.000 0.727 218 A CB 1.191 20.309 19.000 0.196 0.000 1.284 218 A HN 0.422 nan 8.150 nan 0.000 0.415 219 F N 1.043 121.269 119.950 0.460 0.000 2.607 219 F HA 0.585 5.112 4.527 -0.000 0.000 0.322 219 F C -0.392 175.649 175.800 0.402 0.000 1.176 219 F CA 0.123 58.381 58.000 0.431 0.000 0.977 219 F CB 2.194 41.447 39.000 0.421 0.000 1.242 219 F HN 0.502 nan 8.300 nan 0.000 0.465 220 T N 4.879 119.242 114.554 -0.318 0.000 2.824 220 T HA 0.244 4.594 4.350 -0.000 0.000 0.280 220 T C -1.909 172.793 174.700 0.004 0.000 0.995 220 T CA -0.198 61.879 62.100 -0.039 0.000 1.009 220 T CB 1.003 69.865 68.868 -0.009 0.000 0.955 220 T HN 0.529 nan 8.240 nan 0.000 0.452 221 W N 4.818 126.185 121.300 0.112 0.000 2.391 221 W HA 0.449 5.109 4.660 -0.000 0.000 0.312 221 W C -0.700 175.869 176.519 0.084 0.000 1.003 221 W CA -1.300 56.144 57.345 0.164 0.000 1.375 221 W CB 0.577 30.266 29.460 0.383 0.000 1.253 221 W HN 0.425 nan 8.180 nan 0.000 0.416 222 R N 7.019 127.444 120.500 -0.125 0.000 2.346 222 R HA 0.192 4.532 4.340 -0.000 0.000 0.309 222 R C -1.784 174.219 176.300 -0.496 0.000 1.119 222 R CA -1.486 54.438 56.100 -0.294 0.000 1.112 222 R CB 1.140 31.336 30.300 -0.173 0.000 1.132 222 R HN 0.245 nan 8.270 nan 0.000 0.538 223 P HA -0.146 nan 4.420 nan 0.000 0.225 223 P C -0.494 176.584 177.300 -0.371 0.000 1.148 223 P CA 1.275 63.973 63.100 -0.671 0.000 0.779 223 P CB 0.265 31.452 31.700 -0.855 0.000 0.780 224 D N -3.087 117.110 120.400 -0.338 0.000 2.879 224 D HA 0.048 4.688 4.640 -0.000 0.000 0.346 224 D C -0.769 175.405 176.300 -0.210 0.000 1.390 224 D CA -0.601 53.263 54.000 -0.226 0.000 0.838 224 D CB -0.647 40.029 40.800 -0.205 0.000 1.416 224 D HN -0.229 nan 8.370 nan 0.000 0.493 225 D N -1.317 118.991 120.400 -0.155 0.000 2.336 225 D HA 0.140 4.780 4.640 -0.000 0.000 0.228 225 D C 0.315 176.535 176.300 -0.133 0.000 1.120 225 D CA -0.009 53.912 54.000 -0.131 0.000 0.839 225 D CB 0.088 40.835 40.800 -0.089 0.000 0.932 225 D HN 0.392 nan 8.370 nan 0.000 0.509 226 K N -0.946 119.347 120.400 -0.178 0.000 2.447 226 K HA 0.202 4.521 4.320 -0.000 0.000 0.205 226 K C -0.500 175.920 176.600 -0.300 0.000 1.059 226 K CA -0.099 56.092 56.287 -0.161 0.000 1.065 226 K CB 1.344 33.795 32.500 -0.081 0.000 0.885 226 K HN -0.052 nan 8.250 nan 0.000 0.545 227 T N 0.766 115.112 114.554 -0.347 0.000 2.916 227 T HA 0.296 4.646 4.350 -0.000 0.000 0.298 227 T C -1.485 173.050 174.700 -0.275 0.000 1.031 227 T CA -0.838 61.013 62.100 -0.416 0.000 0.993 227 T CB 1.479 70.021 68.868 -0.543 0.000 1.045 227 T HN -0.019 nan 8.240 nan 0.000 0.454 228 N N 2.323 120.901 118.700 -0.203 0.000 2.519 228 N HA 0.314 5.054 4.740 -0.000 0.000 0.291 228 N C -2.081 173.604 175.510 0.292 0.000 1.107 228 N CA -0.555 52.490 53.050 -0.009 0.000 0.904 228 N CB 1.419 39.878 38.487 -0.048 0.000 1.500 228 N HN 0.600 nan 8.380 nan 0.000 0.510 229 F N 2.984 123.141 119.950 0.344 0.000 2.434 229 F HA 0.475 5.002 4.527 -0.000 0.000 0.355 229 F C -0.690 175.371 175.800 0.436 0.000 1.115 229 F CA -0.198 58.127 58.000 0.543 0.000 1.010 229 F CB 1.170 40.544 39.000 0.623 0.000 1.234 229 F HN 0.183 nan 8.300 nan 0.000 0.439 230 T N 7.412 121.978 114.554 0.019 0.000 2.756 230 T HA 0.254 4.604 4.350 -0.000 0.000 0.290 230 T C -0.903 173.773 174.700 -0.039 0.000 0.985 230 T CA -0.261 61.877 62.100 0.062 0.000 0.955 230 T CB 0.417 69.333 68.868 0.080 0.000 0.930 230 T HN 0.448 nan 8.240 nan 0.000 0.451 231 F N 5.235 125.188 119.950 0.005 0.000 2.445 231 F HA 0.553 5.080 4.527 -0.000 0.000 0.359 231 F C -0.976 174.921 175.800 0.161 0.000 1.101 231 F CA -1.045 57.023 58.000 0.112 0.000 1.177 231 F CB 0.203 39.416 39.000 0.355 0.000 1.110 231 F HN 0.384 nan 8.300 nan 0.000 0.522 232 L N 6.866 127.902 121.223 -0.310 0.000 2.305 232 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 232 L C -0.434 176.061 176.870 -0.625 0.000 1.013 232 L CA -0.597 54.017 54.840 -0.375 0.000 0.819 232 L CB 1.588 43.541 42.059 -0.177 0.000 1.227 232 L HN 0.766 nan 8.230 nan 0.000 0.417 233 S N 2.050 117.433 115.700 -0.529 0.000 2.570 233 S HA 0.734 5.204 4.470 -0.000 0.000 0.286 233 S C -1.351 173.132 174.600 -0.195 0.000 1.099 233 S CA -0.765 57.183 58.200 -0.419 0.000 0.913 233 S CB 2.297 65.315 63.200 -0.304 0.000 1.085 233 S HN 0.469 nan 8.310 nan 0.000 0.480 234 Y N 0.990 120.911 120.300 -0.631 0.000 2.401 234 Y HA 0.665 5.214 4.550 -0.000 0.000 0.330 234 Y C -2.285 173.126 175.900 -0.814 0.000 1.071 234 Y CA -1.259 56.547 58.100 -0.490 0.000 1.049 234 Y CB 1.393 39.669 38.460 -0.307 0.000 1.239 234 Y HN 0.780 nan 8.280 nan 0.000 0.437 235 F N 4.691 124.405 119.950 -0.393 0.000 2.539 235 F HA 0.527 5.054 4.527 -0.000 0.000 0.318 235 F C -0.515 175.036 175.800 -0.415 0.000 1.135 235 F CA -0.620 57.229 58.000 -0.252 0.000 0.915 235 F CB 2.191 41.129 39.000 -0.103 0.000 1.176 235 F HN 0.432 nan 8.300 nan 0.000 0.440 236 Q N 2.804 122.524 119.800 -0.133 0.000 2.305 236 Q HA 0.441 4.781 4.340 -0.000 0.000 0.271 236 Q C -1.889 174.122 176.000 0.018 0.000 1.046 236 Q CA -0.857 54.874 55.803 -0.119 0.000 0.798 236 Q CB 2.292 30.936 28.738 -0.157 0.000 1.286 236 Q HN 0.690 nan 8.270 nan 0.000 0.435 237 N N 2.337 121.073 118.700 0.060 0.000 2.354 237 N HA 0.305 5.045 4.740 -0.000 0.000 0.287 237 N C -1.858 173.703 175.510 0.084 0.000 1.016 237 N CA -0.250 52.860 53.050 0.099 0.000 0.871 237 N CB 1.524 40.102 38.487 0.151 0.000 1.299 237 N HN 0.555 nan 8.380 nan 0.000 0.482 238 E N 3.854 124.080 120.200 0.043 0.000 2.460 238 E HA 0.229 4.579 4.350 -0.000 0.000 0.249 238 E C -2.091 174.520 176.600 0.019 0.000 0.962 238 E CA -1.624 54.773 56.400 -0.005 0.000 0.787 238 E CB 2.082 31.745 29.700 -0.063 0.000 1.341 238 E HN 0.471 nan 8.360 nan 0.000 0.407 239 P HA -0.140 nan 4.420 nan 0.000 0.214 239 P C -0.154 177.159 177.300 0.023 0.000 1.162 239 P CA 1.174 64.306 63.100 0.052 0.000 0.879 239 P CB 0.410 32.167 31.700 0.094 0.000 0.786 240 E N -1.544 118.660 120.200 0.008 0.000 2.191 240 E HA 0.226 4.576 4.350 -0.000 0.000 0.263 240 E C 0.176 176.738 176.600 -0.063 0.000 0.881 240 E CA -0.122 56.271 56.400 -0.011 0.000 0.757 240 E CB 1.320 31.021 29.700 0.002 0.000 1.147 240 E HN -0.144 nan 8.360 nan 0.000 0.414 241 T N 0.884 115.376 114.554 -0.103 0.000 3.051 241 T HA 0.273 4.622 4.350 -0.000 0.000 0.255 241 T C 0.729 175.290 174.700 -0.232 0.000 1.085 241 T CA 0.663 62.623 62.100 -0.233 0.000 1.109 241 T CB 0.194 68.806 68.868 -0.428 0.000 0.921 241 T HN 0.780 nan 8.240 nan 0.000 0.488 242 G N 0.771 109.491 108.800 -0.134 0.000 2.548 242 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.208 242 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.208 242 G C -0.716 174.188 174.900 0.007 0.000 1.308 242 G CA -0.638 44.436 45.100 -0.043 0.000 0.924 242 G HN 0.294 nan 8.290 nan 0.000 0.540 243 Y N 0.281 120.568 120.300 -0.022 0.000 2.610 243 Y HA 0.454 5.004 4.550 -0.000 0.000 0.332 243 Y C 0.557 176.530 175.900 0.122 0.000 1.201 243 Y CA 0.991 59.119 58.100 0.047 0.000 1.465 243 Y CB 0.481 38.971 38.460 0.050 0.000 1.283 243 Y HN 0.836 nan 8.280 nan 0.000 0.563 244 Y N 5.027 124.830 120.300 -0.829 0.000 2.811 244 Y HA 0.403 4.952 4.550 -0.000 0.000 0.245 244 Y C 0.211 175.795 175.900 -0.527 0.000 1.041 244 Y CA -0.503 57.271 58.100 -0.544 0.000 1.110 244 Y CB 0.055 38.337 38.460 -0.296 0.000 1.212 244 Y HN 0.716 nan 8.280 nan 0.000 0.635 245 G N -0.033 108.012 108.800 -1.258 0.000 2.557 245 G HA2 0.347 4.307 3.960 -0.000 0.000 0.292 245 G HA3 0.347 4.307 3.960 -0.000 0.000 0.292 245 G C -1.374 173.771 174.900 0.408 0.000 1.237 245 G CA -0.300 44.577 45.100 -0.372 0.000 0.978 245 G HN 0.188 nan 8.290 nan 0.000 0.498 246 W N -0.265 121.215 121.300 0.301 0.000 2.656 246 W HA 0.634 5.294 4.660 -0.000 0.000 0.327 246 W C -0.630 175.977 176.519 0.146 0.000 1.041 246 W CA -0.984 56.510 57.345 0.249 0.000 1.229 246 W CB 1.233 30.900 29.460 0.344 0.000 1.397 246 W HN 0.157 nan 8.180 nan 0.000 0.479 247 L N 5.568 126.868 121.223 0.127 0.000 2.342 247 L HA 0.531 4.871 4.340 -0.000 0.000 0.271 247 L C -1.873 174.922 176.870 -0.126 0.000 1.008 247 L CA -2.210 52.656 54.840 0.042 0.000 0.818 247 L CB 2.608 44.645 42.059 -0.038 0.000 1.296 247 L HN 0.047 nan 8.230 nan 0.000 0.427 248 P HA 0.050 nan 4.420 nan 0.000 0.272 248 P C -0.350 176.815 177.300 -0.225 0.000 1.223 248 P CA -0.453 62.567 63.100 -0.132 0.000 0.784 248 P CB 0.770 32.440 31.700 -0.050 0.000 0.923 249 K N 0.990 121.218 120.400 -0.287 0.000 2.442 249 K HA -0.075 4.245 4.320 -0.000 0.000 0.198 249 K C -0.186 176.282 176.600 -0.221 0.000 1.042 249 K CA 1.034 57.148 56.287 -0.288 0.000 0.958 249 K CB -0.178 32.028 32.500 -0.490 0.000 0.766 249 K HN 0.296 nan 8.250 nan 0.000 0.474 250 E N 0.754 120.845 120.200 -0.181 0.000 1.941 250 E HA 0.252 4.601 4.350 -0.000 0.000 0.275 250 E C 0.202 176.768 176.600 -0.057 0.000 1.113 250 E CA 0.409 56.748 56.400 -0.102 0.000 0.878 250 E CB 0.965 30.619 29.700 -0.077 0.000 1.070 250 E HN 0.483 nan 8.360 nan 0.000 0.399 251 G N 1.959 110.740 108.800 -0.031 0.000 2.227 251 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.168 251 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.168 251 G C 0.848 175.773 174.900 0.041 0.000 1.006 251 G CA 0.318 45.432 45.100 0.024 0.000 0.684 251 G HN 0.596 nan 8.290 nan 0.000 0.489 252 T N -3.560 110.918 114.554 -0.127 0.000 3.413 252 T HA 0.328 4.678 4.350 -0.000 0.000 0.187 252 T C 1.824 176.388 174.700 -0.227 0.000 0.961 252 T CA 1.369 63.195 62.100 -0.456 0.000 1.085 252 T CB -0.033 68.334 68.868 -0.836 0.000 1.345 252 T HN 0.490 nan 8.240 nan 0.000 0.326 253 V N 2.132 121.926 119.914 -0.199 0.000 2.407 253 V HA 0.116 4.235 4.120 -0.000 0.000 0.248 253 V C 1.095 177.203 176.094 0.024 0.000 1.055 253 V CA 1.584 63.863 62.300 -0.035 0.000 1.049 253 V CB -0.737 31.119 31.823 0.054 0.000 0.662 253 V HN 0.563 nan 8.190 nan 0.000 0.455 254 E N -1.003 119.190 120.200 -0.012 0.000 2.320 254 E HA 0.409 4.759 4.350 -0.000 0.000 0.264 254 E C -2.661 173.953 176.600 0.023 0.000 0.923 254 E CA -2.202 54.200 56.400 0.003 0.000 0.796 254 E CB 1.999 31.671 29.700 -0.046 0.000 1.262 254 E HN 0.131 nan 8.360 nan 0.000 0.428 255 P HA 0.166 nan 4.420 nan 0.000 0.278 255 P C -0.634 176.698 177.300 0.053 0.000 1.258 255 P CA -0.365 62.768 63.100 0.055 0.000 0.811 255 P CB 0.647 32.377 31.700 0.049 0.000 1.063 256 L N 2.456 123.730 121.223 0.084 0.000 2.456 256 L HA 0.191 4.531 4.340 -0.000 0.000 0.257 256 L C -1.216 175.744 176.870 0.149 0.000 1.162 256 L CA -1.745 53.170 54.840 0.125 0.000 0.808 256 L CB 0.485 42.656 42.059 0.188 0.000 1.136 256 L HN 0.296 nan 8.230 nan 0.000 0.466 257 P HA -0.193 nan 4.420 nan 0.000 0.217 257 P C 0.675 178.062 177.300 0.144 0.000 1.151 257 P CA 1.268 64.481 63.100 0.188 0.000 0.849 257 P CB -0.041 31.817 31.700 0.262 0.000 0.787 258 N N -1.051 117.738 118.700 0.148 0.000 2.626 258 N HA -0.018 4.722 4.740 -0.000 0.000 0.193 258 N C 1.255 176.716 175.510 -0.082 0.000 1.213 258 N CA 1.228 54.190 53.050 -0.146 0.000 0.914 258 N CB -1.307 36.821 38.487 -0.599 0.000 0.994 258 N HN 0.223 nan 8.380 nan 0.000 0.447 259 G N -1.084 107.713 108.800 -0.005 0.000 2.267 259 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.257 259 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.257 259 G C 0.121 175.023 174.900 0.003 0.000 0.998 259 G CA 0.728 45.824 45.100 -0.007 0.000 0.620 259 G HN 0.586 nan 8.290 nan 0.000 0.529 260 K N -0.226 120.176 120.400 0.004 0.000 2.399 260 K HA 0.838 5.158 4.320 -0.000 0.000 0.247 260 K C 0.626 177.290 176.600 0.107 0.000 1.036 260 K CA -0.684 55.620 56.287 0.029 0.000 0.977 260 K CB 0.836 33.338 32.500 0.002 0.000 1.272 260 K HN 0.235 nan 8.250 nan 0.000 0.501 261 R N 0.021 120.633 120.500 0.186 0.000 2.837 261 R HA 0.399 4.739 4.340 -0.000 0.000 0.271 261 R C -0.899 175.583 176.300 0.302 0.000 0.993 261 R CA -0.917 55.348 56.100 0.274 0.000 0.931 261 R CB 1.178 31.700 30.300 0.370 0.000 1.206 261 R HN 0.321 nan 8.270 nan 0.000 0.474 262 L N 3.848 125.202 121.223 0.218 0.000 2.416 262 L HA 0.255 4.594 4.340 -0.000 0.000 0.272 262 L C -1.853 175.052 176.870 0.058 0.000 1.161 262 L CA -1.567 53.297 54.840 0.040 0.000 0.845 262 L CB 0.602 42.680 42.059 0.032 0.000 1.119 262 L HN 0.271 nan 8.230 nan 0.000 0.464 263 P HA 0.042 nan 4.420 nan 0.000 0.278 263 P C 0.680 177.631 177.300 -0.583 0.000 1.238 263 P CA -0.427 62.244 63.100 -0.716 0.000 0.794 263 P CB 0.860 32.050 31.700 -0.850 0.000 0.955 264 T N -1.547 112.307 114.554 -1.165 0.000 2.883 264 T HA -0.243 4.107 4.350 -0.000 0.000 0.266 264 T C 0.911 175.387 174.700 -0.373 0.000 1.103 264 T CA 1.892 63.282 62.100 -1.183 0.000 1.125 264 T CB -0.961 67.407 68.868 -0.833 0.000 0.819 264 T HN 0.558 nan 8.240 nan 0.000 0.536 265 D N -0.655 119.605 120.400 -0.235 0.000 2.395 265 D HA 0.089 4.728 4.640 -0.000 0.000 0.213 265 D C 0.251 176.528 176.300 -0.038 0.000 1.110 265 D CA -0.865 53.060 54.000 -0.126 0.000 0.835 265 D CB -0.599 40.127 40.800 -0.124 0.000 0.965 265 D HN 0.440 nan 8.370 nan 0.000 0.505 266 F N 2.371 122.252 119.950 -0.116 0.000 2.506 266 F HA 0.344 4.871 4.527 -0.000 0.000 0.351 266 F C -0.094 175.672 175.800 -0.057 0.000 1.136 266 F CA -0.527 57.438 58.000 -0.059 0.000 1.298 266 F CB 0.674 39.685 39.000 0.018 0.000 1.145 266 F HN -0.181 nan 8.300 nan 0.000 0.593 267 N N 3.509 121.695 118.700 -0.856 0.000 2.504 267 N HA 0.177 4.917 4.740 -0.000 0.000 0.280 267 N C -0.309 174.693 175.510 -0.847 0.000 1.052 267 N CA -0.601 52.045 53.050 -0.673 0.000 0.887 267 N CB 1.099 39.419 38.487 -0.279 0.000 1.323 267 N HN 0.551 nan 8.380 nan 0.000 0.509 268 E N 0.870 120.706 120.200 -0.607 0.000 2.511 268 E HA 0.175 4.525 4.350 -0.000 0.000 0.196 268 E C 1.158 177.725 176.600 -0.054 0.000 1.066 268 E CA -0.096 56.144 56.400 -0.266 0.000 0.871 268 E CB -0.266 29.450 29.700 0.025 0.000 0.863 268 E HN 0.537 nan 8.360 nan 0.000 0.520 269 G N 0.498 109.302 108.800 0.006 0.000 2.616 269 G HA2 0.450 4.410 3.960 -0.000 0.000 0.268 269 G HA3 0.450 4.410 3.960 -0.000 0.000 0.268 269 G C 0.396 175.323 174.900 0.045 0.000 1.213 269 G CA -0.376 44.761 45.100 0.062 0.000 0.926 269 G HN 0.311 nan 8.290 nan 0.000 0.523 270 A N -0.134 122.734 122.820 0.080 0.000 2.180 270 A HA 0.351 4.671 4.320 -0.000 0.000 0.287 270 A C 1.591 179.239 177.584 0.106 0.000 1.417 270 A CA 1.346 53.443 52.037 0.101 0.000 0.858 270 A CB -0.001 19.120 19.000 0.202 0.000 1.208 270 A HN 0.897 nan 8.150 nan 0.000 0.522 271 K N -1.278 119.194 120.400 0.120 0.000 2.412 271 K HA 0.073 4.392 4.320 -0.000 0.000 0.202 271 K C 0.262 176.924 176.600 0.104 0.000 1.102 271 K CA 0.549 56.890 56.287 0.091 0.000 1.027 271 K CB 0.172 32.715 32.500 0.072 0.000 0.931 271 K HN 0.610 nan 8.250 nan 0.000 0.557 272 N N 0.461 119.255 118.700 0.157 0.000 2.275 272 N HA 0.041 4.781 4.740 -0.000 0.000 0.236 272 N C -0.893 174.719 175.510 0.169 0.000 1.154 272 N CA -0.434 52.712 53.050 0.161 0.000 0.866 272 N CB -0.158 38.442 38.487 0.189 0.000 1.093 272 N HN -0.024 nan 8.380 nan 0.000 0.515 273 N N 0.791 119.584 118.700 0.155 0.000 2.483 273 N HA 0.088 4.828 4.740 -0.000 0.000 0.264 273 N C -0.840 174.650 175.510 -0.032 0.000 1.197 273 N CA 0.644 53.727 53.050 0.054 0.000 0.927 273 N CB 0.929 39.480 38.487 0.106 0.000 1.065 273 N HN 0.215 nan 8.380 nan 0.000 0.461 274 T N 2.064 116.527 114.554 -0.152 0.000 2.912 274 T HA 0.473 4.822 4.350 -0.000 0.000 0.299 274 T C -1.993 172.641 174.700 -0.110 0.000 1.052 274 T CA -0.450 61.589 62.100 -0.102 0.000 0.996 274 T CB 0.296 69.084 68.868 -0.133 0.000 1.070 274 T HN 0.298 nan 8.240 nan 0.000 0.465 275 Y N 3.121 123.328 120.300 -0.156 0.000 2.361 275 Y HA 0.595 5.144 4.550 -0.000 0.000 0.328 275 Y C -0.523 175.285 175.900 -0.153 0.000 1.044 275 Y CA -0.824 57.165 58.100 -0.185 0.000 1.085 275 Y CB 1.828 40.169 38.460 -0.199 0.000 1.194 275 Y HN 0.802 nan 8.280 nan 0.000 0.438 276 S N 5.787 121.566 115.700 0.132 0.000 2.569 276 S HA 0.870 5.340 4.470 -0.000 0.000 0.280 276 S C -1.359 173.276 174.600 0.060 0.000 1.111 276 S CA -1.021 57.217 58.200 0.064 0.000 0.887 276 S CB 2.912 66.119 63.200 0.012 0.000 1.095 276 S HN 0.799 nan 8.310 nan 0.000 0.476 277 R N 1.394 121.908 120.500 0.025 0.000 2.673 277 R HA 0.520 4.860 4.340 -0.000 0.000 0.281 277 R C -1.764 174.549 176.300 0.023 0.000 0.991 277 R CA -0.513 55.599 56.100 0.021 0.000 0.896 277 R CB 1.657 31.948 30.300 -0.016 0.000 1.201 277 R HN 0.846 nan 8.270 nan 0.000 0.457 278 N N 2.417 121.139 118.700 0.035 0.000 2.352 278 N HA 0.231 4.971 4.740 -0.000 0.000 0.291 278 N C -1.657 173.881 175.510 0.047 0.000 1.040 278 N CA -0.356 52.721 53.050 0.046 0.000 0.864 278 N CB 2.079 40.598 38.487 0.053 0.000 1.440 278 N HN 0.626 nan 8.380 nan 0.000 0.483 279 E N 2.308 122.539 120.200 0.051 0.000 2.246 279 E HA 0.387 4.737 4.350 -0.000 0.000 0.266 279 E C -1.205 175.417 176.600 0.037 0.000 0.880 279 E CA -0.630 55.796 56.400 0.043 0.000 0.762 279 E CB 2.085 31.831 29.700 0.076 0.000 1.180 279 E HN 0.378 nan 8.360 nan 0.000 0.416 280 K N 3.903 124.307 120.400 0.007 0.000 2.482 280 K HA 0.628 4.948 4.320 -0.000 0.000 0.251 280 K C -0.847 175.654 176.600 -0.164 0.000 0.936 280 K CA -0.655 55.591 56.287 -0.067 0.000 0.791 280 K CB 1.984 34.628 32.500 0.240 0.000 1.213 280 K HN 0.382 nan 8.250 nan 0.000 0.428 281 M N 1.393 120.763 119.600 -0.384 0.000 2.484 281 M HA 0.595 5.075 4.480 -0.000 0.000 0.289 281 M C -0.853 175.310 176.300 -0.229 0.000 1.206 281 M CA -1.365 53.791 55.300 -0.240 0.000 0.892 281 M CB 2.301 34.770 32.600 -0.218 0.000 1.712 281 M HN 0.434 nan 8.290 nan 0.000 0.462 282 V N -1.198 118.718 119.914 0.003 0.000 2.851 282 V HA 1.097 5.216 4.120 -0.000 0.000 0.307 282 V C -0.531 175.639 176.094 0.126 0.000 1.129 282 V CA -0.047 62.302 62.300 0.082 0.000 0.932 282 V CB 1.254 33.301 31.823 0.373 0.000 1.024 282 V HN 1.201 nan 8.190 nan 0.000 0.426 283 G N 2.395 111.230 108.800 0.058 0.000 2.500 283 G HA2 0.815 4.775 3.960 -0.000 0.000 0.299 283 G HA3 0.815 4.775 3.960 -0.000 0.000 0.299 283 G C -1.605 173.391 174.900 0.160 0.000 1.242 283 G CA 0.057 45.188 45.100 0.051 0.000 0.859 283 G HN 2.242 nan 8.290 nan 0.000 0.481 284 Y N -2.257 118.046 120.300 0.005 0.000 2.687 284 Y HA 0.795 5.345 4.550 -0.000 0.000 0.338 284 Y C -0.766 175.094 175.900 -0.067 0.000 1.189 284 Y CA -0.947 57.083 58.100 -0.117 0.000 1.097 284 Y CB 1.115 39.351 38.460 -0.374 0.000 1.342 284 Y HN 0.961 nan 8.280 nan 0.000 0.461 285 S N 2.032 117.819 115.700 0.144 0.000 2.473 285 S HA 0.787 5.257 4.470 -0.000 0.000 0.307 285 S C -1.980 172.814 174.600 0.325 0.000 1.094 285 S CA -0.439 57.868 58.200 0.178 0.000 1.070 285 S CB 0.689 63.933 63.200 0.074 0.000 1.019 285 S HN 0.719 nan 8.310 nan 0.000 0.480 286 F N 4.902 124.990 119.950 0.230 0.000 2.547 286 F HA 0.579 5.106 4.527 -0.000 0.000 0.316 286 F C -1.363 174.543 175.800 0.177 0.000 1.121 286 F CA -0.996 57.159 58.000 0.257 0.000 0.911 286 F CB 1.648 40.894 39.000 0.409 0.000 1.179 286 F HN 0.687 nan 8.300 nan 0.000 0.443 287 D N 3.553 123.516 120.400 -0.730 0.000 2.934 287 D HA 0.252 4.891 4.640 -0.000 0.000 0.230 287 D C -1.790 173.984 176.300 -0.877 0.000 1.204 287 D CA -0.383 53.228 54.000 -0.650 0.000 0.873 287 D CB 2.330 42.976 40.800 -0.256 0.000 1.645 287 D HN 0.850 nan 8.370 nan 0.000 0.502 288 H N 0.180 118.785 119.070 -0.776 0.000 3.018 288 H HA 0.205 4.761 4.556 -0.000 0.000 0.334 288 H C -1.405 173.604 175.328 -0.531 0.000 0.983 288 H CA -0.583 55.075 56.048 -0.650 0.000 1.363 288 H CB 2.082 31.434 29.762 -0.682 0.000 1.668 288 H HN 0.453 nan 8.280 nan 0.000 0.513 289 E N 5.317 125.536 120.200 0.032 0.000 2.089 289 E HA 0.055 4.405 4.350 -0.000 0.000 0.284 289 E C -0.236 176.412 176.600 0.079 0.000 1.023 289 E CA -0.471 55.929 56.400 0.001 0.000 0.819 289 E CB 0.535 30.246 29.700 0.017 0.000 1.076 289 E HN 0.551 nan 8.360 nan 0.000 0.396 290 F N 3.769 123.742 119.950 0.038 0.000 2.128 290 F HA -0.047 4.480 4.527 -0.000 0.000 0.295 290 F C 1.055 176.914 175.800 0.099 0.000 1.100 290 F CA 1.101 59.106 58.000 0.009 0.000 1.260 290 F CB -0.182 38.800 39.000 -0.029 0.000 1.009 290 F HN 0.587 nan 8.300 nan 0.000 0.476 291 N N -2.403 116.474 118.700 0.296 0.000 3.517 291 N HA 0.099 4.838 4.740 -0.000 0.000 0.329 291 N C -0.704 174.873 175.510 0.112 0.000 1.569 291 N CA -0.410 52.739 53.050 0.166 0.000 0.852 291 N CB -0.035 38.530 38.487 0.130 0.000 1.955 291 N HN -0.210 nan 8.380 nan 0.000 0.555 292 D N -1.695 118.735 120.400 0.050 0.000 2.378 292 D HA 0.040 4.680 4.640 -0.000 0.000 0.227 292 D C 0.456 176.756 176.300 -0.000 0.000 1.012 292 D CA 1.117 55.130 54.000 0.022 0.000 0.905 292 D CB 0.106 40.908 40.800 0.002 0.000 0.895 292 D HN 0.570 nan 8.370 nan 0.000 0.532 293 T N -1.431 113.101 114.554 -0.038 0.000 2.969 293 T HA 0.169 4.519 4.350 -0.000 0.000 0.258 293 T C -0.770 173.923 174.700 -0.012 0.000 0.962 293 T CA -0.249 61.776 62.100 -0.125 0.000 0.903 293 T CB 0.177 68.843 68.868 -0.337 0.000 1.177 293 T HN -0.132 nan 8.240 nan 0.000 0.511 294 F N 2.235 122.262 119.950 0.129 0.000 2.445 294 F HA 0.582 5.109 4.527 -0.000 0.000 0.348 294 F C 0.051 175.965 175.800 0.189 0.000 1.125 294 F CA -1.216 56.887 58.000 0.172 0.000 0.983 294 F CB 1.570 40.688 39.000 0.198 0.000 1.198 294 F HN -0.187 nan 8.300 nan 0.000 0.436 295 T N 3.086 117.830 114.554 0.316 0.000 2.829 295 T HA 0.578 4.928 4.350 -0.000 0.000 0.280 295 T C -1.015 173.721 174.700 0.061 0.000 0.999 295 T CA -0.667 61.493 62.100 0.101 0.000 0.983 295 T CB 2.269 71.165 68.868 0.047 0.000 0.968 295 T HN 0.350 nan 8.240 nan 0.000 0.446 296 V N 4.778 124.654 119.914 -0.065 0.000 2.495 296 V HA 0.817 4.937 4.120 -0.000 0.000 0.298 296 V C -0.942 175.143 176.094 -0.016 0.000 1.031 296 V CA -0.891 61.418 62.300 0.015 0.000 0.871 296 V CB 1.303 33.194 31.823 0.115 0.000 0.988 296 V HN 0.938 nan 8.190 nan 0.000 0.432 297 R N 4.892 125.428 120.500 0.061 0.000 2.628 297 R HA 0.666 5.006 4.340 -0.000 0.000 0.288 297 R C -1.208 175.217 176.300 0.208 0.000 0.980 297 R CA -0.830 55.323 56.100 0.087 0.000 0.891 297 R CB 2.198 32.518 30.300 0.033 0.000 1.188 297 R HN 0.700 nan 8.270 nan 0.000 0.450 298 Q N 2.205 122.218 119.800 0.354 0.000 2.340 298 Q HA 0.354 4.693 4.340 -0.000 0.000 0.268 298 Q C -1.375 174.812 176.000 0.311 0.000 1.031 298 Q CA -0.896 55.121 55.803 0.357 0.000 0.804 298 Q CB 2.008 31.031 28.738 0.474 0.000 1.286 298 Q HN 0.590 nan 8.270 nan 0.000 0.448 299 N N 3.866 122.656 118.700 0.150 0.000 2.407 299 N HA 0.502 5.242 4.740 -0.000 0.000 0.277 299 N C -1.452 173.977 175.510 -0.135 0.000 0.995 299 N CA -0.263 52.796 53.050 0.015 0.000 0.903 299 N CB 1.681 40.183 38.487 0.024 0.000 1.218 299 N HN 0.617 nan 8.380 nan 0.000 0.487 300 L N 1.604 122.586 121.223 -0.402 0.000 2.409 300 L HA 0.704 5.044 4.340 -0.000 0.000 0.262 300 L C -1.072 175.554 176.870 -0.406 0.000 0.992 300 L CA -0.717 53.844 54.840 -0.464 0.000 0.817 300 L CB 2.367 44.095 42.059 -0.551 0.000 1.350 300 L HN 0.523 nan 8.230 nan 0.000 0.411 301 R N 3.074 123.377 120.500 -0.328 0.000 2.643 301 R HA 0.486 4.826 4.340 -0.000 0.000 0.269 301 R C -2.322 173.959 176.300 -0.031 0.000 1.037 301 R CA -0.556 55.444 56.100 -0.165 0.000 0.894 301 R CB 1.780 31.965 30.300 -0.191 0.000 1.238 301 R HN 0.594 nan 8.270 nan 0.000 0.459 302 F N 2.601 122.561 119.950 0.015 0.000 2.520 302 F HA 0.826 5.353 4.527 -0.000 0.000 0.322 302 F C -1.320 174.512 175.800 0.054 0.000 1.103 302 F CA -0.299 57.779 58.000 0.132 0.000 0.926 302 F CB 2.153 41.322 39.000 0.282 0.000 1.154 302 F HN 0.687 nan 8.300 nan 0.000 0.453 303 A N 4.487 126.676 122.820 -1.052 0.000 2.475 303 A HA 0.648 4.967 4.320 -0.000 0.000 0.301 303 A C -1.562 175.517 177.584 -0.841 0.000 1.059 303 A CA -0.696 50.914 52.037 -0.712 0.000 0.710 303 A CB 1.597 20.379 19.000 -0.363 0.000 1.288 303 A HN 0.784 nan 8.150 nan 0.000 0.408 304 E N 1.750 121.730 120.200 -0.367 0.000 2.220 304 E HA 0.456 4.806 4.350 -0.000 0.000 0.256 304 E C -1.369 175.199 176.600 -0.053 0.000 0.881 304 E CA -0.616 55.696 56.400 -0.148 0.000 0.766 304 E CB 0.740 30.479 29.700 0.065 0.000 1.187 304 E HN 0.682 nan 8.360 nan 0.000 0.419 305 N N 3.685 122.360 118.700 -0.043 0.000 2.240 305 N HA 0.468 5.208 4.740 -0.000 0.000 0.302 305 N C -1.194 174.334 175.510 0.030 0.000 1.106 305 N CA -0.772 52.277 53.050 -0.001 0.000 0.778 305 N CB 2.062 40.542 38.487 -0.012 0.000 1.431 305 N HN 0.354 nan 8.380 nan 0.000 0.479 306 K N -0.203 120.223 120.400 0.044 0.000 2.435 306 K HA 0.675 4.995 4.320 -0.000 0.000 0.251 306 K C -0.962 175.673 176.600 0.057 0.000 0.954 306 K CA -0.673 55.646 56.287 0.054 0.000 0.820 306 K CB 2.530 35.059 32.500 0.048 0.000 1.292 306 K HN 0.419 nan 8.250 nan 0.000 0.436 307 T N 0.090 114.680 114.554 0.060 0.000 2.923 307 T HA 0.564 4.914 4.350 -0.000 0.000 0.311 307 T C -1.545 173.143 174.700 -0.020 0.000 1.183 307 T CA -0.477 61.650 62.100 0.044 0.000 1.020 307 T CB 1.341 70.271 68.868 0.103 0.000 1.165 307 T HN 0.489 nan 8.240 nan 0.000 0.482 308 S N 2.316 117.957 115.700 -0.098 0.000 2.595 308 S HA 0.844 5.314 4.470 -0.000 0.000 0.281 308 S C -1.583 172.794 174.600 -0.372 0.000 1.117 308 S CA -0.939 57.149 58.200 -0.186 0.000 0.873 308 S CB 2.037 65.157 63.200 -0.133 0.000 1.108 308 S HN 0.942 nan 8.310 nan 0.000 0.477 309 Q N 0.445 119.968 119.800 -0.461 0.000 2.594 309 Q HA 0.435 4.774 4.340 -0.000 0.000 0.278 309 Q C -2.255 173.421 176.000 -0.540 0.000 0.961 309 Q CA -0.845 54.585 55.803 -0.621 0.000 0.844 309 Q CB 1.055 29.083 28.738 -1.184 0.000 1.475 309 Q HN 0.651 nan 8.270 nan 0.000 0.389 310 N N 0.732 119.061 118.700 -0.618 0.000 2.531 310 N HA 0.488 5.228 4.740 -0.000 0.000 0.268 310 N C -1.772 173.247 175.510 -0.818 0.000 1.023 310 N CA -0.369 52.051 53.050 -1.049 0.000 0.896 310 N CB 1.975 39.601 38.487 -1.435 0.000 1.233 310 N HN 0.498 nan 8.380 nan 0.000 0.512 311 S N 1.195 116.674 115.700 -0.368 0.000 2.614 311 S HA 0.308 4.777 4.470 -0.000 0.000 0.288 311 S C -0.625 174.156 174.600 0.300 0.000 1.137 311 S CA -0.557 57.640 58.200 -0.006 0.000 0.992 311 S CB 2.208 65.357 63.200 -0.085 0.000 1.026 311 S HN 0.138 nan 8.310 nan 0.000 0.486 312 V N 4.860 124.937 119.914 0.273 0.000 2.407 312 V HA 0.595 4.715 4.120 -0.000 0.000 0.278 312 V C -1.053 175.134 176.094 0.155 0.000 1.037 312 V CA -0.317 62.044 62.300 0.101 0.000 0.900 312 V CB 0.601 32.313 31.823 -0.186 0.000 0.983 312 V HN 0.831 nan 8.190 nan 0.000 0.459 313 Y N 3.368 123.648 120.300 -0.034 0.000 2.545 313 Y HA 0.879 5.428 4.550 -0.000 0.000 0.348 313 Y C 0.310 176.259 175.900 0.081 0.000 1.002 313 Y CA -1.271 56.809 58.100 -0.033 0.000 1.039 313 Y CB 1.163 39.495 38.460 -0.213 0.000 1.271 313 Y HN 0.674 nan 8.280 nan 0.000 0.467 314 G N 0.664 109.623 108.800 0.265 0.000 2.544 314 G HA2 0.237 4.197 3.960 -0.000 0.000 0.242 314 G HA3 0.237 4.197 3.960 -0.000 0.000 0.242 314 G C -1.567 173.611 174.900 0.464 0.000 1.247 314 G CA -0.217 45.059 45.100 0.294 0.000 0.840 314 G HN 0.813 nan 8.290 nan 0.000 0.578 315 Y N 0.630 121.040 120.300 0.183 0.000 2.734 315 Y HA 0.428 4.978 4.550 -0.000 0.000 0.251 315 Y C 0.789 176.758 175.900 0.115 0.000 1.049 315 Y CA 0.431 58.642 58.100 0.184 0.000 1.103 315 Y CB 0.306 38.759 38.460 -0.013 0.000 1.201 315 Y HN 1.342 nan 8.280 nan 0.000 0.618 316 G N 0.356 109.241 108.800 0.141 0.000 2.781 316 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.683 316 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.683 316 G C -0.600 174.337 174.900 0.061 0.000 1.390 316 G CA -0.655 44.484 45.100 0.065 0.000 0.850 316 G HN 0.842 nan 8.290 nan 0.000 0.557 317 V N -1.789 118.137 119.914 0.020 0.000 3.003 317 V HA 0.400 4.520 4.120 -0.000 0.000 0.305 317 V C 1.946 178.047 176.094 0.011 0.000 1.078 317 V CA 0.117 62.431 62.300 0.023 0.000 1.083 317 V CB 0.765 32.587 31.823 -0.001 0.000 1.039 317 V HN 1.355 nan 8.190 nan 0.000 0.481 318 c N 1.900 120.508 118.600 0.014 0.000 2.409 318 c HA -0.107 4.463 4.570 -0.000 0.000 0.284 318 c C 2.916 176.981 174.090 -0.042 0.000 1.354 318 c CA 1.730 58.048 56.329 -0.017 0.000 1.787 318 c CB -1.539 40.942 42.510 -0.049 0.000 1.900 318 c HN 1.164 nan 8.230 nan 0.000 0.520 319 S N -0.594 115.080 115.700 -0.043 0.000 2.603 319 S HA -0.027 4.443 4.470 -0.000 0.000 0.220 319 S C 0.227 174.793 174.600 -0.057 0.000 0.967 319 S CA 0.245 58.414 58.200 -0.052 0.000 0.920 319 S CB -0.377 62.795 63.200 -0.046 0.000 0.773 319 S HN 0.649 nan 8.310 nan 0.000 0.529 320 D N 2.186 122.555 120.400 -0.052 0.000 2.264 320 D HA 0.290 4.930 4.640 -0.000 0.000 0.250 320 D C -1.729 174.537 176.300 -0.056 0.000 1.113 320 D CA -2.111 51.856 54.000 -0.055 0.000 0.871 320 D CB 1.808 42.581 40.800 -0.044 0.000 1.167 320 D HN -0.049 nan 8.370 nan 0.000 0.447 321 P HA -0.214 nan 4.420 nan 0.000 0.219 321 P C 0.840 178.099 177.300 -0.068 0.000 1.153 321 P CA 1.855 64.916 63.100 -0.065 0.000 0.865 321 P CB 0.135 31.814 31.700 -0.035 0.000 0.788 322 A N -1.345 121.447 122.820 -0.046 0.000 2.178 322 A HA -0.128 4.191 4.320 -0.000 0.000 0.218 322 A C 1.512 179.126 177.584 0.050 0.000 1.157 322 A CA 1.328 53.344 52.037 -0.034 0.000 0.689 322 A CB -0.798 18.047 19.000 -0.257 0.000 0.787 322 A HN 0.198 nan 8.150 nan 0.000 0.465 323 N N -0.803 117.897 118.700 0.000 0.000 2.235 323 N HA 0.293 5.033 4.740 -0.000 0.000 0.231 323 N C 1.348 176.817 175.510 -0.068 0.000 1.177 323 N CA 0.671 53.732 53.050 0.018 0.000 0.874 323 N CB 0.370 38.878 38.487 0.035 0.000 1.097 323 N HN 0.342 nan 8.380 nan 0.000 0.518 324 A N 0.773 123.481 122.820 -0.186 0.000 1.881 324 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 324 A C 1.128 178.515 177.584 -0.329 0.000 1.215 324 A CA 1.609 53.425 52.037 -0.368 0.000 0.648 324 A CB -0.952 17.618 19.000 -0.717 0.000 0.832 324 A HN 0.351 nan 8.150 nan 0.000 0.455 325 Y N 0.346 120.645 120.300 -0.002 0.000 2.471 325 Y HA 0.263 4.812 4.550 -0.000 0.000 0.286 325 Y C 1.449 177.346 175.900 -0.005 0.000 1.188 325 Y CA 0.110 58.208 58.100 -0.004 0.000 1.286 325 Y CB -0.534 37.922 38.460 -0.006 0.000 1.072 325 Y HN 0.226 nan 8.280 nan 0.000 0.517 326 S N 0.871 116.631 115.700 0.100 0.000 2.455 326 S HA 0.120 4.590 4.470 -0.000 0.000 0.278 326 S C 1.066 175.687 174.600 0.036 0.000 1.216 326 S CA -0.663 57.575 58.200 0.064 0.000 1.055 326 S CB 0.795 64.018 63.200 0.039 0.000 0.939 326 S HN 0.432 nan 8.310 nan 0.000 0.494 327 K N 3.682 124.107 120.400 0.040 0.000 2.002 327 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 327 K C 2.247 178.843 176.600 -0.006 0.000 1.048 327 K CA 1.847 58.146 56.287 0.020 0.000 0.930 327 K CB -0.224 32.292 32.500 0.027 0.000 0.714 327 K HN 0.709 nan 8.250 nan 0.000 0.438 328 Q N 0.101 119.897 119.800 -0.006 0.000 2.308 328 Q HA -0.183 4.157 4.340 -0.000 0.000 0.209 328 Q C 2.125 178.080 176.000 -0.074 0.000 0.985 328 Q CA 1.237 57.020 55.803 -0.033 0.000 0.881 328 Q CB -0.231 28.498 28.738 -0.014 0.000 0.917 328 Q HN 0.367 nan 8.270 nan 0.000 0.443 329 c N -0.496 118.071 118.600 -0.055 0.000 2.505 329 c HA 0.085 4.655 4.570 -0.000 0.000 0.279 329 c C 2.822 176.856 174.090 -0.093 0.000 1.316 329 c CA 0.471 56.750 56.329 -0.085 0.000 1.720 329 c CB -0.913 41.568 42.510 -0.049 0.000 2.050 329 c HN 0.653 nan 8.230 nan 0.000 0.493 330 A N 0.678 123.462 122.820 -0.060 0.000 1.933 330 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 330 A C 2.058 179.602 177.584 -0.067 0.000 1.175 330 A CA 1.746 53.750 52.037 -0.055 0.000 0.628 330 A CB -0.822 18.162 19.000 -0.027 0.000 0.814 330 A HN 0.613 nan 8.150 nan 0.000 0.444 331 A N -0.839 121.939 122.820 -0.069 0.000 2.142 331 A HA 0.429 4.749 4.320 -0.000 0.000 0.208 331 A C 0.388 177.902 177.584 -0.118 0.000 1.344 331 A CA 0.389 52.381 52.037 -0.076 0.000 1.045 331 A CB -0.890 18.071 19.000 -0.063 0.000 0.784 331 A HN 0.436 nan 8.150 nan 0.000 0.509 332 L N -2.255 118.883 121.223 -0.142 0.000 2.359 332 L HA 0.641 4.981 4.340 -0.000 0.000 0.256 332 L C 0.396 177.190 176.870 -0.127 0.000 1.026 332 L CA -1.086 53.641 54.840 -0.188 0.000 0.828 332 L CB 1.830 43.686 42.059 -0.338 0.000 1.406 332 L HN 0.052 nan 8.230 nan 0.000 0.413 333 A N 1.561 124.319 122.820 -0.104 0.000 2.505 333 A HA 0.284 4.604 4.320 -0.000 0.000 0.271 333 A C -1.640 175.912 177.584 -0.054 0.000 1.112 333 A CA -0.863 51.143 52.037 -0.053 0.000 0.781 333 A CB -0.394 18.599 19.000 -0.013 0.000 1.059 333 A HN 0.627 nan 8.150 nan 0.000 0.508 334 P HA -0.364 nan 4.420 nan 0.000 0.230 334 P C 1.459 178.744 177.300 -0.026 0.000 1.150 334 P CA 2.991 66.069 63.100 -0.037 0.000 0.933 334 P CB 0.178 31.865 31.700 -0.021 0.000 0.785 335 A N -1.955 120.865 122.820 0.000 0.000 2.206 335 A HA -0.109 4.210 4.320 -0.000 0.000 0.211 335 A C 1.573 179.188 177.584 0.051 0.000 1.158 335 A CA 1.474 53.532 52.037 0.035 0.000 0.761 335 A CB -0.699 18.337 19.000 0.060 0.000 0.801 335 A HN 0.124 nan 8.150 nan 0.000 0.473 336 D N -0.459 119.925 120.400 -0.027 0.000 2.338 336 D HA 0.031 4.671 4.640 -0.000 0.000 0.208 336 D C 1.665 177.814 176.300 -0.252 0.000 0.997 336 D CA 0.491 54.383 54.000 -0.180 0.000 0.880 336 D CB -0.142 40.546 40.800 -0.187 0.000 0.980 336 D HN 0.340 nan 8.370 nan 0.000 0.509 337 K N 0.548 120.858 120.400 -0.150 0.000 2.144 337 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 337 K C 1.707 178.262 176.600 -0.075 0.000 1.047 337 K CA 1.444 57.659 56.287 -0.121 0.000 0.927 337 K CB -0.287 32.160 32.500 -0.088 0.000 0.716 337 K HN 0.104 nan 8.250 nan 0.000 0.454 338 G N 0.514 109.281 108.800 -0.056 0.000 3.262 338 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.228 338 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.228 338 G C 0.530 175.445 174.900 0.026 0.000 1.197 338 G CA -0.004 45.087 45.100 -0.014 0.000 0.819 338 G HN 0.597 nan 8.290 nan 0.000 0.531 339 H N -3.065 115.976 119.070 -0.048 0.000 3.124 339 H HA 0.290 4.846 4.556 -0.000 0.000 0.250 339 H C -1.181 173.971 175.328 -0.294 0.000 1.184 339 H CA -0.544 55.362 56.048 -0.236 0.000 1.013 339 H CB 0.230 29.648 29.762 -0.574 0.000 1.891 339 H HN 0.179 nan 8.280 nan 0.000 0.687 340 Y N 1.070 121.239 120.300 -0.219 0.000 2.509 340 Y HA 0.459 5.008 4.550 -0.000 0.000 0.341 340 Y C -0.741 175.132 175.900 -0.045 0.000 1.038 340 Y CA -1.219 56.803 58.100 -0.131 0.000 1.089 340 Y CB 2.459 40.806 38.460 -0.188 0.000 1.241 340 Y HN 0.154 nan 8.280 nan 0.000 0.468 341 L N 2.462 123.797 121.223 0.186 0.000 2.349 341 L HA 0.843 5.183 4.340 -0.000 0.000 0.278 341 L C -0.661 176.292 176.870 0.138 0.000 0.996 341 L CA -0.651 54.276 54.840 0.145 0.000 0.825 341 L CB 1.101 43.253 42.059 0.156 0.000 1.243 341 L HN 0.669 nan 8.230 nan 0.000 0.412 342 A N 5.400 128.292 122.820 0.120 0.000 2.388 342 A HA 0.772 5.091 4.320 -0.000 0.000 0.257 342 A C -0.095 177.547 177.584 0.097 0.000 1.095 342 A CA -0.279 51.819 52.037 0.101 0.000 0.791 342 A CB 0.272 19.346 19.000 0.123 0.000 1.029 342 A HN 0.806 nan 8.150 nan 0.000 0.489 343 R N 1.090 121.598 120.500 0.013 0.000 2.795 343 R HA 0.571 4.911 4.340 -0.000 0.000 0.275 343 R C -0.455 175.704 176.300 -0.235 0.000 0.981 343 R CA -0.640 55.407 56.100 -0.089 0.000 0.917 343 R CB 2.442 32.698 30.300 -0.074 0.000 1.202 343 R HN 0.856 nan 8.270 nan 0.000 0.469 344 K N 0.637 120.718 120.400 -0.531 0.000 2.082 344 K HA 0.536 4.856 4.320 -0.000 0.000 0.242 344 K C -1.362 175.016 176.600 -0.370 0.000 1.070 344 K CA -0.893 55.056 56.287 -0.562 0.000 0.892 344 K CB 1.535 33.564 32.500 -0.784 0.000 1.417 344 K HN 0.506 nan 8.250 nan 0.000 0.541 345 Y N -2.744 117.452 120.300 -0.173 0.000 2.713 345 Y HA 0.675 5.225 4.550 -0.000 0.000 0.335 345 Y C -1.873 174.153 175.900 0.210 0.000 1.222 345 Y CA -1.183 56.967 58.100 0.084 0.000 1.061 345 Y CB 0.880 39.268 38.460 -0.120 0.000 1.314 345 Y HN 0.276 nan 8.280 nan 0.000 0.453 346 V N 1.607 121.783 119.914 0.436 0.000 3.012 346 V HA 0.830 4.950 4.120 -0.000 0.000 0.307 346 V C -1.958 174.146 176.094 0.017 0.000 1.166 346 V CA -0.727 61.558 62.300 -0.025 0.000 0.974 346 V CB 2.219 33.691 31.823 -0.585 0.000 1.040 346 V HN 0.909 nan 8.190 nan 0.000 0.428 347 V N 4.644 124.537 119.914 -0.035 0.000 2.531 347 V HA 0.669 4.789 4.120 -0.000 0.000 0.301 347 V C -0.966 175.059 176.094 -0.116 0.000 1.034 347 V CA -0.313 61.942 62.300 -0.075 0.000 0.865 347 V CB 1.864 33.727 31.823 0.067 0.000 0.995 347 V HN 1.041 nan 8.190 nan 0.000 0.424 348 D N 2.701 122.993 120.400 -0.181 0.000 2.645 348 D HA 0.523 5.163 4.640 -0.000 0.000 0.228 348 D C -1.696 174.572 176.300 -0.053 0.000 1.148 348 D CA -0.324 53.633 54.000 -0.071 0.000 0.860 348 D CB 2.383 43.096 40.800 -0.144 0.000 1.548 348 D HN 0.583 nan 8.370 nan 0.000 0.460 349 D N 2.105 122.533 120.400 0.047 0.000 2.970 349 D HA 0.283 4.923 4.640 -0.000 0.000 0.230 349 D C -1.302 175.053 176.300 0.092 0.000 1.276 349 D CA -0.287 53.735 54.000 0.037 0.000 0.910 349 D CB 1.424 42.242 40.800 0.029 0.000 1.590 349 D HN 0.490 nan 8.370 nan 0.000 0.551 350 E N 2.067 122.321 120.200 0.089 0.000 2.383 350 E HA 0.434 4.783 4.350 -0.000 0.000 0.275 350 E C -1.087 175.565 176.600 0.086 0.000 0.918 350 E CA -0.988 55.481 56.400 0.115 0.000 0.764 350 E CB 3.220 33.031 29.700 0.185 0.000 1.252 350 E HN 0.244 nan 8.360 nan 0.000 0.449 351 K N 2.312 122.759 120.400 0.078 0.000 2.565 351 K HA 0.401 4.720 4.320 -0.000 0.000 0.251 351 K C -1.956 174.679 176.600 0.059 0.000 0.956 351 K CA -0.676 55.650 56.287 0.065 0.000 0.809 351 K CB 1.237 33.773 32.500 0.061 0.000 1.267 351 K HN 0.415 nan 8.250 nan 0.000 0.438 352 L N 1.249 122.498 121.223 0.043 0.000 2.354 352 L HA 0.624 4.964 4.340 -0.000 0.000 0.264 352 L C -1.493 175.369 176.870 -0.014 0.000 1.008 352 L CA -0.239 54.615 54.840 0.024 0.000 0.819 352 L CB 2.152 44.220 42.059 0.015 0.000 1.339 352 L HN 0.594 nan 8.230 nan 0.000 0.420 353 Q N 2.170 121.967 119.800 -0.005 0.000 2.365 353 Q HA 0.469 4.809 4.340 -0.000 0.000 0.269 353 Q C -1.533 174.418 176.000 -0.083 0.000 1.061 353 Q CA -0.429 55.329 55.803 -0.076 0.000 0.816 353 Q CB 2.288 31.133 28.738 0.178 0.000 1.325 353 Q HN 0.901 nan 8.270 nan 0.000 0.446 354 N N 1.763 120.307 118.700 -0.261 0.000 2.454 354 N HA 0.483 5.223 4.740 -0.000 0.000 0.291 354 N C -1.899 173.565 175.510 -0.077 0.000 1.079 354 N CA -0.281 52.687 53.050 -0.137 0.000 0.893 354 N CB 1.338 39.704 38.487 -0.202 0.000 1.512 354 N HN 0.449 nan 8.380 nan 0.000 0.497 355 F N 2.606 122.572 119.950 0.026 0.000 2.508 355 F HA 0.647 5.174 4.527 -0.000 0.000 0.325 355 F C -1.089 174.742 175.800 0.051 0.000 1.090 355 F CA -0.147 57.959 58.000 0.177 0.000 0.945 355 F CB 1.814 41.043 39.000 0.382 0.000 1.156 355 F HN 0.264 nan 8.300 nan 0.000 0.463 356 S N 3.506 118.527 115.700 -1.132 0.000 2.536 356 S HA 0.817 5.287 4.470 -0.000 0.000 0.271 356 S C -1.636 172.528 174.600 -0.728 0.000 1.134 356 S CA -0.788 56.975 58.200 -0.728 0.000 0.897 356 S CB 1.899 64.872 63.200 -0.378 0.000 1.094 356 S HN 0.612 nan 8.310 nan 0.000 0.473 357 V N 0.910 120.658 119.914 -0.276 0.000 2.851 357 V HA 0.694 4.813 4.120 -0.000 0.000 0.307 357 V C -1.624 174.526 176.094 0.093 0.000 1.129 357 V CA -0.688 61.583 62.300 -0.048 0.000 0.932 357 V CB 2.125 34.055 31.823 0.178 0.000 1.024 357 V HN 0.869 nan 8.190 nan 0.000 0.426 358 D N 1.836 122.298 120.400 0.104 0.000 2.757 358 D HA 0.707 5.347 4.640 -0.000 0.000 0.249 358 D C -0.851 175.557 176.300 0.180 0.000 1.168 358 D CA -0.001 54.099 54.000 0.166 0.000 0.870 358 D CB 2.465 43.350 40.800 0.141 0.000 1.411 358 D HN 0.672 nan 8.370 nan 0.000 0.525 359 T N 3.563 118.233 114.554 0.194 0.000 2.861 359 T HA 0.633 4.983 4.350 -0.000 0.000 0.287 359 T C -0.732 174.045 174.700 0.128 0.000 1.003 359 T CA -0.889 61.316 62.100 0.174 0.000 0.977 359 T CB 1.526 70.496 68.868 0.170 0.000 0.996 359 T HN 0.422 nan 8.240 nan 0.000 0.448 360 Q N 1.803 121.673 119.800 0.116 0.000 2.379 360 Q HA 0.778 5.118 4.340 -0.000 0.000 0.278 360 Q C -1.749 174.284 176.000 0.054 0.000 1.068 360 Q CA -1.245 54.594 55.803 0.060 0.000 0.816 360 Q CB 2.491 31.291 28.738 0.103 0.000 1.387 360 Q HN 0.517 nan 8.270 nan 0.000 0.413 361 L N 1.260 122.493 121.223 0.016 0.000 2.356 361 L HA 0.429 4.768 4.340 -0.000 0.000 0.277 361 L C -1.192 175.709 176.870 0.050 0.000 0.996 361 L CA -0.161 54.686 54.840 0.012 0.000 0.822 361 L CB 2.046 44.066 42.059 -0.065 0.000 1.256 361 L HN 0.786 nan 8.230 nan 0.000 0.413 362 Q N 3.405 123.265 119.800 0.100 0.000 2.322 362 Q HA 0.576 4.916 4.340 -0.000 0.000 0.265 362 Q C -1.512 174.636 176.000 0.247 0.000 0.985 362 Q CA -0.512 55.366 55.803 0.125 0.000 0.849 362 Q CB 1.543 30.331 28.738 0.085 0.000 1.274 362 Q HN 0.774 nan 8.270 nan 0.000 0.449 363 S N 4.268 120.115 115.700 0.244 0.000 2.596 363 S HA 0.440 4.910 4.470 -0.000 0.000 0.318 363 S C -0.961 173.652 174.600 0.020 0.000 1.097 363 S CA -0.891 57.522 58.200 0.356 0.000 1.080 363 S CB 1.136 64.713 63.200 0.629 0.000 0.991 363 S HN 0.459 nan 8.310 nan 0.000 0.471 364 K N 2.852 123.243 120.400 -0.014 0.000 2.130 364 K HA 0.736 5.056 4.320 -0.000 0.000 0.268 364 K C -0.728 175.796 176.600 -0.127 0.000 0.983 364 K CA -0.410 55.781 56.287 -0.161 0.000 0.893 364 K CB 1.187 33.651 32.500 -0.060 0.000 1.066 364 K HN 0.675 nan 8.250 nan 0.000 0.450 365 F N -1.809 118.111 119.950 -0.049 0.000 2.829 365 F HA 0.562 5.089 4.527 -0.000 0.000 0.319 365 F C -1.756 173.900 175.800 -0.240 0.000 1.153 365 F CA -1.546 56.380 58.000 -0.123 0.000 0.912 365 F CB 0.422 39.352 39.000 -0.117 0.000 1.292 365 F HN 0.462 nan 8.300 nan 0.000 0.447 366 A N 0.077 122.981 122.820 0.140 0.000 2.322 366 A HA 0.836 5.155 4.320 -0.000 0.000 0.327 366 A C -0.714 176.838 177.584 -0.054 0.000 1.134 366 A CA -0.688 51.310 52.037 -0.064 0.000 0.831 366 A CB 1.458 20.435 19.000 -0.038 0.000 1.288 366 A HN 0.982 nan 8.150 nan 0.000 0.472 367 T N 0.622 115.098 114.554 -0.130 0.000 3.209 367 T HA 0.516 4.866 4.350 -0.000 0.000 0.366 367 T C 0.759 175.448 174.700 -0.018 0.000 1.293 367 T CA 0.916 62.996 62.100 -0.033 0.000 1.417 367 T CB -0.382 68.544 68.868 0.096 0.000 1.013 367 T HN 2.288 nan 8.240 nan 0.000 0.572 368 G N 3.795 112.587 108.800 -0.013 0.000 2.677 368 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.321 368 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.321 368 G C 0.428 175.349 174.900 0.035 0.000 1.181 368 G CA 0.754 45.856 45.100 0.004 0.000 0.965 368 G HN 0.588 nan 8.290 nan 0.000 0.548 369 D N 1.058 121.497 120.400 0.065 0.000 2.388 369 D HA 0.431 5.071 4.640 -0.000 0.000 0.221 369 D C 0.449 176.907 176.300 0.263 0.000 1.133 369 D CA 0.012 54.120 54.000 0.180 0.000 0.831 369 D CB 0.098 41.081 40.800 0.305 0.000 0.962 369 D HN 0.383 nan 8.370 nan 0.000 0.502 370 I N 1.030 121.669 120.570 0.114 0.000 2.382 370 I HA 0.202 4.371 4.170 -0.000 0.000 0.286 370 I C -0.411 175.732 176.117 0.043 0.000 1.002 370 I CA -0.687 60.711 61.300 0.164 0.000 1.135 370 I CB 1.537 39.620 38.000 0.139 0.000 1.288 370 I HN -0.260 nan 8.210 nan 0.000 0.448 371 D N 5.776 126.241 120.400 0.108 0.000 2.175 371 D HA 0.409 5.049 4.640 -0.000 0.000 0.248 371 D C -0.632 175.742 176.300 0.122 0.000 1.047 371 D CA -0.162 53.826 54.000 -0.020 0.000 0.883 371 D CB 1.326 42.134 40.800 0.012 0.000 1.180 371 D HN 0.517 nan 8.370 nan 0.000 0.438 372 H N -0.447 118.517 119.070 -0.176 0.000 2.637 372 H HA 0.471 5.027 4.556 -0.000 0.000 0.363 372 H C -0.539 174.546 175.328 -0.405 0.000 1.131 372 H CA -0.860 54.996 56.048 -0.320 0.000 1.183 372 H CB 1.947 31.389 29.762 -0.534 0.000 1.637 372 H HN 0.047 nan 8.280 nan 0.000 0.531 373 T N 3.252 117.738 114.554 -0.113 0.000 2.833 373 T HA 0.222 4.572 4.350 -0.000 0.000 0.297 373 T C -0.858 173.787 174.700 -0.092 0.000 1.015 373 T CA -0.620 61.409 62.100 -0.118 0.000 0.963 373 T CB 0.600 69.437 68.868 -0.051 0.000 0.955 373 T HN 0.202 nan 8.240 nan 0.000 0.449 374 L N 5.260 126.419 121.223 -0.107 0.000 2.294 374 L HA 0.692 5.031 4.340 -0.000 0.000 0.283 374 L C -1.151 175.750 176.870 0.052 0.000 1.015 374 L CA -0.844 53.990 54.840 -0.009 0.000 0.831 374 L CB 0.832 42.923 42.059 0.052 0.000 1.217 374 L HN 0.506 nan 8.230 nan 0.000 0.420 375 L N 5.300 126.554 121.223 0.052 0.000 2.295 375 L HA 0.780 5.120 4.340 -0.000 0.000 0.285 375 L C -0.257 176.618 176.870 0.010 0.000 1.035 375 L CA 0.323 55.194 54.840 0.052 0.000 0.806 375 L CB 1.611 43.721 42.059 0.086 0.000 1.214 375 L HN 0.826 nan 8.230 nan 0.000 0.426 376 T N 1.523 116.045 114.554 -0.052 0.000 2.928 376 T HA 0.911 5.261 4.350 -0.000 0.000 0.296 376 T C -0.391 174.137 174.700 -0.288 0.000 1.000 376 T CA -0.241 61.769 62.100 -0.151 0.000 0.989 376 T CB 1.407 70.247 68.868 -0.046 0.000 1.005 376 T HN 0.954 nan 8.240 nan 0.000 0.442 377 G N 0.924 109.325 108.800 -0.665 0.000 2.660 377 G HA2 0.706 4.666 3.960 -0.000 0.000 0.290 377 G HA3 0.706 4.666 3.960 -0.000 0.000 0.290 377 G C -1.097 173.510 174.900 -0.489 0.000 1.432 377 G CA -0.353 44.385 45.100 -0.604 0.000 0.807 377 G HN 1.687 nan 8.290 nan 0.000 0.485 378 V N -1.320 118.561 119.914 -0.054 0.000 2.540 378 V HA 0.804 4.924 4.120 -0.000 0.000 0.302 378 V C -1.515 174.753 176.094 0.290 0.000 1.035 378 V CA -0.925 61.466 62.300 0.152 0.000 0.873 378 V CB 1.725 33.624 31.823 0.128 0.000 0.992 378 V HN 0.680 nan 8.190 nan 0.000 0.428 379 D N 3.674 124.303 120.400 0.382 0.000 2.505 379 D HA 0.667 5.307 4.640 -0.000 0.000 0.249 379 D C -1.436 175.080 176.300 0.361 0.000 1.082 379 D CA -0.250 53.951 54.000 0.335 0.000 0.839 379 D CB 1.908 42.883 40.800 0.291 0.000 1.317 379 D HN 0.653 nan 8.370 nan 0.000 0.497 380 F N 3.827 123.869 119.950 0.154 0.000 2.578 380 F HA 0.700 5.226 4.527 -0.000 0.000 0.311 380 F C -1.699 174.167 175.800 0.109 0.000 1.094 380 F CA -0.805 57.290 58.000 0.158 0.000 0.923 380 F CB 1.404 40.517 39.000 0.190 0.000 1.230 380 F HN 0.376 nan 8.300 nan 0.000 0.450 381 M N 4.553 123.483 119.600 -1.117 0.000 2.578 381 M HA 0.680 5.160 4.480 -0.000 0.000 0.276 381 M C -1.998 173.778 176.300 -0.873 0.000 1.245 381 M CA -0.668 54.126 55.300 -0.844 0.000 0.871 381 M CB 2.456 34.839 32.600 -0.361 0.000 1.722 381 M HN 0.580 nan 8.290 nan 0.000 0.473 382 R N 1.847 122.136 120.500 -0.352 0.000 2.673 382 R HA 0.913 5.253 4.340 -0.000 0.000 0.281 382 R C -1.632 174.674 176.300 0.009 0.000 0.991 382 R CA -0.871 55.182 56.100 -0.079 0.000 0.896 382 R CB 2.140 32.531 30.300 0.151 0.000 1.201 382 R HN 0.904 nan 8.270 nan 0.000 0.457 383 M N 2.688 122.293 119.600 0.007 0.000 2.457 383 M HA 0.489 4.969 4.480 -0.000 0.000 0.300 383 M C -1.671 174.649 176.300 0.033 0.000 1.141 383 M CA -0.708 54.596 55.300 0.007 0.000 0.901 383 M CB 2.543 35.123 32.600 -0.034 0.000 1.687 383 M HN 0.940 nan 8.290 nan 0.000 0.449 384 R N 3.089 123.614 120.500 0.041 0.000 2.575 384 R HA 0.562 4.902 4.340 -0.000 0.000 0.293 384 R C -1.858 174.464 176.300 0.037 0.000 0.983 384 R CA -0.429 55.698 56.100 0.046 0.000 0.887 384 R CB 1.456 31.799 30.300 0.070 0.000 1.184 384 R HN 0.782 nan 8.270 nan 0.000 0.445 385 N N 1.795 120.513 118.700 0.030 0.000 2.371 385 N HA 0.188 4.928 4.740 -0.000 0.000 0.291 385 N C -2.034 173.489 175.510 0.022 0.000 1.053 385 N CA -0.579 52.492 53.050 0.036 0.000 0.870 385 N CB 1.886 40.402 38.487 0.050 0.000 1.503 385 N HN 0.526 nan 8.380 nan 0.000 0.485 386 D N 3.757 124.177 120.400 0.033 0.000 2.392 386 D HA 0.366 5.006 4.640 -0.000 0.000 0.228 386 D C -0.643 175.674 176.300 0.029 0.000 1.074 386 D CA -0.229 53.782 54.000 0.017 0.000 0.838 386 D CB 0.658 41.475 40.800 0.029 0.000 1.067 386 D HN 0.514 nan 8.370 nan 0.000 0.511 387 I N 3.193 123.755 120.570 -0.015 0.000 2.412 387 I HA 0.312 4.482 4.170 -0.000 0.000 0.296 387 I C 0.448 176.572 176.117 0.013 0.000 0.987 387 I CA -0.613 60.697 61.300 0.017 0.000 1.180 387 I CB 1.616 39.564 38.000 -0.086 0.000 1.340 387 I HN 0.252 nan 8.210 nan 0.000 0.455 388 N N 5.275 124.036 118.700 0.102 0.000 2.640 388 N HA 0.661 5.400 4.740 -0.000 0.000 0.262 388 N C -1.370 174.268 175.510 0.214 0.000 1.174 388 N CA -0.130 52.998 53.050 0.130 0.000 0.791 388 N CB 0.982 39.528 38.487 0.099 0.000 1.279 388 N HN 0.767 nan 8.380 nan 0.000 0.535 389 A N 2.522 125.537 122.820 0.326 0.000 2.443 389 A HA 0.728 5.048 4.320 -0.000 0.000 0.278 389 A C -1.925 175.949 177.584 0.484 0.000 1.252 389 A CA -0.632 51.619 52.037 0.358 0.000 0.816 389 A CB 1.647 20.900 19.000 0.422 0.000 1.369 389 A HN 0.592 nan 8.150 nan 0.000 0.446 390 W N 0.120 121.472 121.300 0.086 0.000 3.439 390 W HA 0.590 5.250 4.660 -0.000 0.000 0.323 390 W C -2.909 173.553 176.519 -0.095 0.000 1.174 390 W CA -0.707 56.721 57.345 0.138 0.000 1.224 390 W CB 1.744 31.289 29.460 0.142 0.000 1.348 390 W HN 0.493 nan 8.180 nan 0.000 0.498 391 F N 2.978 122.814 119.950 -0.191 0.000 2.493 391 F HA 0.518 5.045 4.527 -0.000 0.000 0.329 391 F C 1.074 176.349 175.800 -0.874 0.000 1.126 391 F CA -0.682 57.114 58.000 -0.340 0.000 0.937 391 F CB 1.556 40.458 39.000 -0.164 0.000 1.146 391 F HN 0.335 nan 8.300 nan 0.000 0.442 392 G N 2.362 110.562 108.800 -0.999 0.000 2.398 392 G HA2 0.270 4.230 3.960 -0.000 0.000 0.246 392 G HA3 0.270 4.230 3.960 -0.000 0.000 0.246 392 G C -0.956 173.593 174.900 -0.585 0.000 1.289 392 G CA 0.108 44.575 45.100 -1.054 0.000 0.869 392 G HN 0.434 nan 8.290 nan 0.000 0.543 393 Y N 0.233 120.424 120.300 -0.181 0.000 2.862 393 Y HA 0.313 4.862 4.550 -0.000 0.000 0.347 393 Y C 1.763 177.567 175.900 -0.160 0.000 1.234 393 Y CA -1.234 56.765 58.100 -0.168 0.000 1.204 393 Y CB 0.019 38.407 38.460 -0.119 0.000 1.464 393 Y HN 0.428 nan 8.280 nan 0.000 0.710 394 D N 0.100 120.557 120.400 0.096 0.000 2.157 394 D HA -0.182 4.458 4.640 -0.000 0.000 0.191 394 D C -0.234 176.083 176.300 0.029 0.000 1.004 394 D CA 2.061 56.074 54.000 0.022 0.000 0.854 394 D CB -0.316 40.515 40.800 0.051 0.000 0.936 394 D HN 0.523 nan 8.370 nan 0.000 0.446 395 D N -1.651 118.786 120.400 0.062 0.000 2.980 395 D HA 0.102 4.742 4.640 -0.000 0.000 0.333 395 D C 0.711 177.061 176.300 0.084 0.000 1.356 395 D CA -0.068 53.967 54.000 0.057 0.000 0.847 395 D CB 0.683 41.518 40.800 0.057 0.000 1.122 395 D HN -0.050 nan 8.370 nan 0.000 0.475 396 S N -0.999 114.749 115.700 0.080 0.000 2.527 396 S HA 0.099 4.569 4.470 -0.000 0.000 0.222 396 S C 0.652 175.434 174.600 0.303 0.000 0.985 396 S CA -0.351 57.961 58.200 0.187 0.000 0.921 396 S CB 0.412 63.664 63.200 0.088 0.000 0.772 396 S HN 0.214 nan 8.310 nan 0.000 0.529 397 V N 0.372 120.387 119.914 0.168 0.000 3.048 397 V HA 0.555 4.675 4.120 -0.000 0.000 0.303 397 V C -3.086 173.070 176.094 0.103 0.000 1.214 397 V CA -2.224 60.184 62.300 0.181 0.000 0.984 397 V CB 1.651 33.418 31.823 -0.093 0.000 1.054 397 V HN -0.025 nan 8.190 nan 0.000 0.430 398 P HA 0.113 nan 4.420 nan 0.000 0.274 398 P C -0.780 176.573 177.300 0.088 0.000 1.224 398 P CA 0.460 63.619 63.100 0.098 0.000 0.803 398 P CB 0.275 32.039 31.700 0.107 0.000 0.876 399 L N -0.012 121.278 121.223 0.112 0.000 2.347 399 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 399 L C -0.098 176.881 176.870 0.182 0.000 1.019 399 L CA -0.594 54.336 54.840 0.149 0.000 0.806 399 L CB 0.462 42.626 42.059 0.174 0.000 1.339 399 L HN 0.133 nan 8.230 nan 0.000 0.463 400 L N 0.568 121.912 121.223 0.203 0.000 2.455 400 L HA 0.417 4.756 4.340 -0.000 0.000 0.264 400 L C -0.912 175.948 176.870 -0.018 0.000 0.968 400 L CA -0.575 54.346 54.840 0.136 0.000 0.827 400 L CB 1.965 44.123 42.059 0.165 0.000 1.317 400 L HN 0.525 nan 8.230 nan 0.000 0.407 401 N N 2.306 120.907 118.700 -0.165 0.000 2.444 401 N HA 0.185 4.925 4.740 -0.000 0.000 0.271 401 N C 0.047 175.431 175.510 -0.210 0.000 1.069 401 N CA -0.454 52.311 53.050 -0.475 0.000 0.965 401 N CB 1.677 39.895 38.487 -0.449 0.000 1.092 401 N HN 0.473 nan 8.380 nan 0.000 0.476 402 L N 4.444 125.535 121.223 -0.220 0.000 2.592 402 L HA 0.106 4.445 4.340 -0.000 0.000 0.227 402 L C 1.324 178.181 176.870 -0.022 0.000 1.127 402 L CA 0.139 54.890 54.840 -0.147 0.000 0.884 402 L CB -1.430 40.554 42.059 -0.124 0.000 1.065 402 L HN 0.608 nan 8.230 nan 0.000 0.457 403 Y N 0.140 120.338 120.300 -0.170 0.000 2.153 403 Y HA -0.103 4.447 4.550 -0.000 0.000 0.289 403 Y C 2.491 178.349 175.900 -0.070 0.000 1.127 403 Y CA 0.745 58.744 58.100 -0.168 0.000 1.131 403 Y CB -0.590 37.709 38.460 -0.268 0.000 0.995 403 Y HN 0.335 nan 8.280 nan 0.000 0.505 404 N N -0.360 118.417 118.700 0.128 0.000 2.025 404 N HA -0.172 4.567 4.740 -0.000 0.000 0.194 404 N C -1.013 174.595 175.510 0.163 0.000 1.044 404 N CA 1.510 54.652 53.050 0.152 0.000 0.851 404 N CB -0.914 37.665 38.487 0.153 0.000 1.036 404 N HN 0.101 nan 8.380 nan 0.000 0.422 405 P HA -0.183 nan 4.420 nan 0.000 0.220 405 P C 1.350 178.620 177.300 -0.050 0.000 1.155 405 P CA 1.390 64.364 63.100 -0.210 0.000 0.880 405 P CB -0.141 31.311 31.700 -0.414 0.000 0.790 406 S N -0.791 114.927 115.700 0.030 0.000 2.500 406 S HA -0.069 4.401 4.470 -0.000 0.000 0.239 406 S C 0.874 175.602 174.600 0.213 0.000 0.989 406 S CA 0.588 58.871 58.200 0.139 0.000 0.951 406 S CB -1.114 62.155 63.200 0.115 0.000 0.759 406 S HN 0.313 nan 8.310 nan 0.000 0.523 407 S N 0.887 116.732 115.700 0.242 0.000 2.566 407 S HA -0.043 4.427 4.470 -0.000 0.000 0.280 407 S C 1.119 175.854 174.600 0.225 0.000 1.343 407 S CA 0.114 58.445 58.200 0.218 0.000 1.036 407 S CB 0.227 63.585 63.200 0.263 0.000 0.866 407 S HN 0.632 nan 8.310 nan 0.000 0.526 408 H N 1.789 120.871 119.070 0.020 0.000 2.457 408 H HA -0.169 4.387 4.556 -0.000 0.000 0.294 408 H C 1.780 177.136 175.328 0.047 0.000 1.064 408 H CA 2.331 58.347 56.048 -0.053 0.000 1.330 408 H CB -0.743 28.950 29.762 -0.115 0.000 1.395 408 H HN 1.045 nan 8.280 nan 0.000 0.541 409 H N 0.630 119.705 119.070 0.008 0.000 2.289 409 H HA -0.176 4.380 4.556 -0.000 0.000 0.296 409 H C 2.165 177.383 175.328 -0.183 0.000 1.091 409 H CA 2.510 58.489 56.048 -0.116 0.000 1.274 409 H CB -0.403 29.250 29.762 -0.182 0.000 1.364 409 H HN 0.396 nan 8.280 nan 0.000 0.490 410 H N -0.522 118.493 119.070 -0.091 0.000 2.326 410 H HA -0.089 4.466 4.556 -0.000 0.000 0.301 410 H C 2.269 177.504 175.328 -0.154 0.000 1.081 410 H CA 1.553 57.514 56.048 -0.145 0.000 1.334 410 H CB -0.488 29.299 29.762 0.041 0.000 1.385 410 H HN 0.669 nan 8.280 nan 0.000 0.504 411 H N -0.986 118.014 119.070 -0.116 0.000 2.489 411 H HA -0.147 4.409 4.556 -0.000 0.000 0.295 411 H C 2.025 177.213 175.328 -0.233 0.000 1.082 411 H CA 1.430 57.377 56.048 -0.169 0.000 1.295 411 H CB 0.285 29.950 29.762 -0.163 0.000 1.380 411 H HN 0.462 nan 8.280 nan 0.000 0.548 412 H N -0.744 118.100 119.070 -0.377 0.000 2.481 412 H HA 0.056 4.612 4.556 -0.000 0.000 0.291 412 H C 1.109 176.217 175.328 -0.366 0.000 1.009 412 H CA 0.692 56.455 56.048 -0.476 0.000 1.282 412 H CB 0.412 29.674 29.762 -0.832 0.000 1.457 412 H HN 0.293 nan 8.280 nan 0.000 0.525 413 H N -0.163 118.597 119.070 -0.517 0.000 2.505 413 H HA 0.379 4.935 4.556 -0.000 0.000 0.286 413 H C 0.190 175.348 175.328 -0.283 0.000 1.072 413 H CA -0.277 55.489 56.048 -0.470 0.000 1.141 413 H CB 0.704 30.201 29.762 -0.442 0.000 1.550 413 H HN 0.594 nan 8.280 nan 0.000 0.547 414 G N 0.335 109.066 108.800 -0.114 0.000 2.699 414 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.686 414 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.686 414 G C -0.278 174.691 174.900 0.115 0.000 1.301 414 G CA -0.505 44.581 45.100 -0.022 0.000 0.816 414 G HN 0.241 nan 8.290 nan 0.000 0.595 415 S N -0.570 115.166 115.700 0.061 0.000 2.617 415 S HA 0.734 5.203 4.470 -0.000 0.000 0.259 415 S C 0.651 175.309 174.600 0.097 0.000 1.301 415 S CA 0.334 58.565 58.200 0.052 0.000 0.984 415 S CB 0.995 64.234 63.200 0.065 0.000 0.954 415 S HN 1.169 nan 8.310 nan 0.000 0.572 416 S N 0.660 116.388 115.700 0.046 0.000 2.521 416 S HA 0.392 4.862 4.470 -0.000 0.000 0.295 416 S C -0.370 174.271 174.600 0.068 0.000 1.098 416 S CA -0.655 57.607 58.200 0.102 0.000 0.999 416 S CB 1.692 64.995 63.200 0.171 0.000 1.034 416 S HN 0.598 nan 8.310 nan 0.000 0.483 417 V N 3.711 123.661 119.914 0.061 0.000 3.178 417 V HA 0.106 4.226 4.120 -0.000 0.000 0.306 417 V C 0.338 176.464 176.094 0.054 0.000 1.107 417 V CA 0.524 62.850 62.300 0.043 0.000 1.195 417 V CB 0.391 32.242 31.823 0.047 0.000 0.993 417 V HN 0.889 nan 8.190 nan 0.000 0.493 418 N N 1.963 120.689 118.700 0.044 0.000 2.577 418 N HA 0.413 5.153 4.740 -0.000 0.000 0.296 418 N C -0.162 175.385 175.510 0.062 0.000 1.357 418 N CA 0.409 53.493 53.050 0.058 0.000 0.896 418 N CB 0.565 39.081 38.487 0.048 0.000 1.102 418 N HN 0.955 nan 8.380 nan 0.000 0.506 419 T N -2.096 112.497 114.554 0.065 0.000 2.910 419 T HA 0.389 4.739 4.350 -0.000 0.000 0.287 419 T C -0.064 174.681 174.700 0.074 0.000 1.050 419 T CA -0.766 61.372 62.100 0.064 0.000 1.011 419 T CB 1.263 70.167 68.868 0.059 0.000 1.195 419 T HN 0.098 nan 8.240 nan 0.000 0.540 420 D N -0.136 120.304 120.400 0.067 0.000 2.046 420 D HA 0.421 5.060 4.640 -0.000 0.000 0.249 420 D C -0.599 175.763 176.300 0.104 0.000 1.228 420 D CA 0.447 54.496 54.000 0.081 0.000 0.956 420 D CB -0.059 40.769 40.800 0.046 0.000 1.278 420 D HN 0.580 nan 8.370 nan 0.000 0.528 421 F N -0.390 119.447 119.950 -0.189 0.000 2.662 421 F HA 0.101 4.628 4.527 -0.000 0.000 0.319 421 F C -1.760 173.734 175.800 -0.511 0.000 1.079 421 F CA -0.939 56.818 58.000 -0.405 0.000 1.062 421 F CB 1.074 39.669 39.000 -0.676 0.000 1.299 421 F HN -0.011 nan 8.300 nan 0.000 0.487 422 D N 4.721 124.424 120.400 -1.162 0.000 2.339 422 D HA 0.192 4.832 4.640 -0.000 0.000 0.256 422 D C 0.396 176.040 176.300 -1.094 0.000 1.214 422 D CA 0.287 53.792 54.000 -0.826 0.000 0.877 422 D CB 0.380 40.830 40.800 -0.584 0.000 1.111 422 D HN 0.421 nan 8.370 nan 0.000 0.478 423 F N 2.212 121.917 119.950 -0.408 0.000 2.789 423 F HA 0.136 4.662 4.527 -0.000 0.000 0.300 423 F C 1.946 177.545 175.800 -0.335 0.000 1.132 423 F CA -0.012 57.798 58.000 -0.316 0.000 1.404 423 F CB 0.174 39.089 39.000 -0.142 0.000 1.114 423 F HN 0.383 nan 8.300 nan 0.000 0.584 424 N N 0.131 118.712 118.700 -0.198 0.000 2.415 424 N HA 0.124 4.864 4.740 -0.000 0.000 0.174 424 N C 0.894 176.246 175.510 -0.263 0.000 1.048 424 N CA 0.402 53.322 53.050 -0.215 0.000 0.895 424 N CB 0.008 38.401 38.487 -0.155 0.000 1.036 424 N HN 0.008 nan 8.380 nan 0.000 0.449 425 A N 2.963 125.617 122.820 -0.277 0.000 2.639 425 A HA 0.036 4.356 4.320 -0.000 0.000 0.295 425 A C 0.126 177.605 177.584 -0.175 0.000 1.443 425 A CA 0.073 51.980 52.037 -0.217 0.000 1.117 425 A CB -0.400 18.458 19.000 -0.238 0.000 1.098 425 A HN 0.056 nan 8.150 nan 0.000 0.552 426 K N 3.278 123.570 120.400 -0.181 0.000 2.296 426 K HA 0.166 4.486 4.320 -0.000 0.000 0.257 426 K C -1.069 175.666 176.600 0.226 0.000 1.088 426 K CA -0.605 55.652 56.287 -0.050 0.000 0.980 426 K CB 0.903 32.962 32.500 -0.735 0.000 1.430 426 K HN 0.515 nan 8.250 nan 0.000 0.441 427 D N 3.870 124.408 120.400 0.230 0.000 2.382 427 D HA 0.057 4.696 4.640 -0.000 0.000 0.259 427 D C -1.622 174.841 176.300 0.272 0.000 1.224 427 D CA -2.135 51.987 54.000 0.203 0.000 0.894 427 D CB 1.293 42.175 40.800 0.137 0.000 1.127 427 D HN 0.191 nan 8.370 nan 0.000 0.487 428 P HA -0.057 nan 4.420 nan 0.000 0.228 428 P C 0.674 178.069 177.300 0.158 0.000 1.151 428 P CA 0.723 63.952 63.100 0.215 0.000 0.770 428 P CB 0.256 32.064 31.700 0.180 0.000 0.786 429 A N 1.505 124.412 122.820 0.146 0.000 1.832 429 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 429 A C 1.805 179.476 177.584 0.146 0.000 1.200 429 A CA 1.795 53.904 52.037 0.121 0.000 0.610 429 A CB -1.301 17.759 19.000 0.100 0.000 0.842 429 A HN 0.396 nan 8.150 nan 0.000 0.444 430 N N -1.574 117.216 118.700 0.149 0.000 2.234 430 N HA 0.154 4.894 4.740 -0.000 0.000 0.227 430 N C -0.138 175.367 175.510 -0.008 0.000 1.151 430 N CA 0.589 53.733 53.050 0.155 0.000 0.865 430 N CB 0.572 39.131 38.487 0.119 0.000 1.066 430 N HN 0.384 nan 8.380 nan 0.000 0.515 431 S N -0.680 114.968 115.700 -0.087 0.000 2.570 431 S HA 0.757 5.226 4.470 -0.000 0.000 0.270 431 S C -0.913 173.363 174.600 -0.540 0.000 1.149 431 S CA -0.376 57.499 58.200 -0.543 0.000 0.837 431 S CB 1.809 65.066 63.200 0.095 0.000 1.124 431 S HN 0.296 nan 8.310 nan 0.000 0.465 432 G N 1.189 109.367 108.800 -1.037 0.000 2.727 432 G HA2 0.792 4.752 3.960 -0.000 0.000 0.289 432 G HA3 0.792 4.752 3.960 -0.000 0.000 0.289 432 G C -3.636 170.384 174.900 -1.468 0.000 1.418 432 G CA -1.505 43.045 45.100 -0.917 0.000 0.818 432 G HN 0.597 nan 8.290 nan 0.000 0.486 433 P HA 0.459 nan 4.420 nan 0.000 0.293 433 P C -1.822 175.517 177.300 0.066 0.000 1.291 433 P CA -0.591 62.272 63.100 -0.395 0.000 0.867 433 P CB 1.451 33.057 31.700 -0.156 0.000 1.074 434 Y N 2.267 122.642 120.300 0.124 0.000 2.327 434 Y HA 0.478 5.027 4.550 -0.000 0.000 0.325 434 Y C -0.736 175.241 175.900 0.129 0.000 0.999 434 Y CA -0.645 57.545 58.100 0.150 0.000 1.195 434 Y CB 1.402 40.078 38.460 0.360 0.000 1.132 434 Y HN 0.213 nan 8.280 nan 0.000 0.455 435 R N 7.752 128.110 120.500 -0.237 0.000 2.473 435 R HA 0.626 4.966 4.340 -0.000 0.000 0.303 435 R C -1.527 174.574 176.300 -0.331 0.000 1.002 435 R CA -0.609 55.372 56.100 -0.199 0.000 0.884 435 R CB 1.588 31.864 30.300 -0.040 0.000 1.173 435 R HN 0.507 nan 8.270 nan 0.000 0.464 436 I N 3.492 123.833 120.570 -0.383 0.000 2.865 436 I HA 0.426 4.596 4.170 -0.000 0.000 0.302 436 I C -0.933 175.064 176.117 -0.201 0.000 1.140 436 I CA -1.107 59.983 61.300 -0.351 0.000 1.021 436 I CB 2.373 40.035 38.000 -0.564 0.000 1.233 436 I HN 0.433 nan 8.210 nan 0.000 0.427 437 L N 5.435 126.578 121.223 -0.133 0.000 2.415 437 L HA 0.513 4.853 4.340 -0.000 0.000 0.268 437 L C -1.139 175.697 176.870 -0.056 0.000 0.984 437 L CA -0.083 54.715 54.840 -0.070 0.000 0.853 437 L CB 0.937 42.974 42.059 -0.038 0.000 1.215 437 L HN 0.430 nan 8.230 nan 0.000 0.419 438 N N 4.372 123.046 118.700 -0.044 0.000 2.456 438 N HA 0.536 5.276 4.740 -0.000 0.000 0.296 438 N C -1.105 174.409 175.510 0.006 0.000 1.102 438 N CA -0.539 52.499 53.050 -0.021 0.000 0.924 438 N CB 2.100 40.574 38.487 -0.021 0.000 1.186 438 N HN 0.539 nan 8.380 nan 0.000 0.492 439 K N 1.469 121.880 120.400 0.017 0.000 2.464 439 K HA 0.426 4.746 4.320 -0.000 0.000 0.253 439 K C -0.880 175.742 176.600 0.037 0.000 0.933 439 K CA -0.605 55.702 56.287 0.034 0.000 0.801 439 K CB 2.450 34.977 32.500 0.045 0.000 1.271 439 K HN 0.434 nan 8.250 nan 0.000 0.430 440 Q N 1.322 121.145 119.800 0.037 0.000 2.416 440 Q HA 0.494 4.834 4.340 -0.000 0.000 0.281 440 Q C -1.528 174.494 176.000 0.036 0.000 1.067 440 Q CA -0.995 54.830 55.803 0.036 0.000 0.809 440 Q CB 3.312 32.056 28.738 0.010 0.000 1.418 440 Q HN 0.308 nan 8.270 nan 0.000 0.411 441 K N 1.096 121.528 120.400 0.054 0.000 2.546 441 K HA 0.423 4.743 4.320 -0.000 0.000 0.264 441 K C -1.923 174.730 176.600 0.088 0.000 0.937 441 K CA -0.459 55.862 56.287 0.056 0.000 0.833 441 K CB 2.473 35.078 32.500 0.177 0.000 1.378 441 K HN 0.527 nan 8.250 nan 0.000 0.432 442 Q N 1.611 121.441 119.800 0.049 0.000 2.327 442 Q HA 0.345 4.685 4.340 -0.000 0.000 0.265 442 Q C -1.862 174.286 176.000 0.246 0.000 0.993 442 Q CA -0.520 55.383 55.803 0.167 0.000 0.885 442 Q CB 2.434 31.238 28.738 0.110 0.000 1.379 442 Q HN 0.606 nan 8.270 nan 0.000 0.408 443 T N 1.703 116.522 114.554 0.441 0.000 2.879 443 T HA 0.773 5.123 4.350 -0.000 0.000 0.290 443 T C -0.674 174.370 174.700 0.574 0.000 0.993 443 T CA -0.505 61.919 62.100 0.541 0.000 0.975 443 T CB 1.510 70.683 68.868 0.509 0.000 0.981 443 T HN 0.633 nan 8.240 nan 0.000 0.439 444 G N 1.057 110.149 108.800 0.487 0.000 2.612 444 G HA2 0.717 4.677 3.960 -0.000 0.000 0.298 444 G HA3 0.717 4.677 3.960 -0.000 0.000 0.298 444 G C -1.021 174.175 174.900 0.494 0.000 1.336 444 G CA -0.829 44.558 45.100 0.478 0.000 0.953 444 G HN 0.889 nan 8.290 nan 0.000 0.482 445 V N -0.661 119.552 119.914 0.499 0.000 2.588 445 V HA 0.888 5.008 4.120 -0.000 0.000 0.304 445 V C -0.992 175.323 176.094 0.368 0.000 1.042 445 V CA -1.230 61.289 62.300 0.364 0.000 0.877 445 V CB 0.531 32.553 31.823 0.330 0.000 0.996 445 V HN 1.070 nan 8.190 nan 0.000 0.425 446 Y N 2.251 122.643 120.300 0.153 0.000 2.609 446 Y HA 0.960 5.510 4.550 -0.000 0.000 0.342 446 Y C -1.091 174.871 175.900 0.103 0.000 1.058 446 Y CA -1.796 56.373 58.100 0.114 0.000 1.055 446 Y CB 1.915 40.400 38.460 0.042 0.000 1.292 446 Y HN 0.529 nan 8.280 nan 0.000 0.476 447 V N 2.484 122.513 119.914 0.190 0.000 2.932 447 V HA 0.574 4.694 4.120 -0.000 0.000 0.307 447 V C -1.203 174.989 176.094 0.163 0.000 1.147 447 V CA -0.603 61.764 62.300 0.112 0.000 0.951 447 V CB 1.910 33.803 31.823 0.117 0.000 1.031 447 V HN 0.958 nan 8.190 nan 0.000 0.426 448 Q N 2.398 122.274 119.800 0.126 0.000 2.472 448 Q HA 0.532 4.872 4.340 -0.000 0.000 0.281 448 Q C -2.411 173.629 176.000 0.067 0.000 0.997 448 Q CA -0.589 55.280 55.803 0.110 0.000 0.828 448 Q CB 3.175 31.980 28.738 0.111 0.000 1.443 448 Q HN 0.829 nan 8.270 nan 0.000 0.390 449 D N 1.141 121.568 120.400 0.045 0.000 2.780 449 D HA 0.313 4.952 4.640 -0.000 0.000 0.242 449 D C -1.490 174.807 176.300 -0.004 0.000 1.135 449 D CA -0.099 53.900 54.000 -0.001 0.000 0.859 449 D CB 1.761 42.532 40.800 -0.048 0.000 1.530 449 D HN 0.365 nan 8.370 nan 0.000 0.493 450 Q N 1.655 121.447 119.800 -0.013 0.000 2.348 450 Q HA 0.702 5.042 4.340 -0.000 0.000 0.265 450 Q C -1.246 174.760 176.000 0.011 0.000 0.998 450 Q CA -0.949 54.854 55.803 -0.000 0.000 0.831 450 Q CB 2.135 30.870 28.738 -0.005 0.000 1.251 450 Q HN 0.451 nan 8.270 nan 0.000 0.456 451 A N 3.264 126.103 122.820 0.031 0.000 2.318 451 A HA 0.493 4.812 4.320 -0.000 0.000 0.317 451 A C -1.073 176.597 177.584 0.144 0.000 1.159 451 A CA -0.511 51.584 52.037 0.097 0.000 0.799 451 A CB 1.275 20.268 19.000 -0.011 0.000 1.194 451 A HN 0.678 nan 8.150 nan 0.000 0.479 452 Q N 1.526 121.436 119.800 0.184 0.000 2.330 452 Q HA 0.464 4.804 4.340 -0.000 0.000 0.269 452 Q C -1.973 174.192 176.000 0.275 0.000 1.022 452 Q CA -0.497 55.407 55.803 0.169 0.000 0.796 452 Q CB 1.873 30.664 28.738 0.088 0.000 1.271 452 Q HN 0.761 nan 8.270 nan 0.000 0.450 453 W N 7.337 128.663 121.300 0.044 0.000 2.492 453 W HA 0.297 4.957 4.660 -0.000 0.000 0.287 453 W C -0.734 175.797 176.519 0.020 0.000 1.008 453 W CA -0.442 56.932 57.345 0.049 0.000 1.557 453 W CB 0.074 29.579 29.460 0.076 0.000 1.419 453 W HN 0.869 nan 8.180 nan 0.000 0.408 454 D N 2.018 122.366 120.400 -0.086 0.000 4.230 454 D HA -0.316 4.324 4.640 -0.000 0.000 0.138 454 D C 0.754 176.931 176.300 -0.206 0.000 0.772 454 D CA 1.641 55.526 54.000 -0.192 0.000 1.136 454 D CB -0.665 39.926 40.800 -0.349 0.000 0.547 454 D HN 0.309 nan 8.370 nan 0.000 0.537 455 K N 0.731 120.938 120.400 -0.322 0.000 2.437 455 K HA 0.391 4.710 4.320 -0.000 0.000 0.198 455 K C -0.324 175.929 176.600 -0.579 0.000 1.024 455 K CA 0.103 56.123 56.287 -0.446 0.000 1.148 455 K CB 0.604 32.775 32.500 -0.548 0.000 0.860 455 K HN 0.120 nan 8.250 nan 0.000 0.515 456 V N 1.714 121.456 119.914 -0.287 0.000 2.459 456 V HA 0.376 4.496 4.120 -0.000 0.000 0.295 456 V C -1.170 174.942 176.094 0.029 0.000 1.029 456 V CA -1.114 61.137 62.300 -0.081 0.000 0.874 456 V CB 1.773 33.646 31.823 0.083 0.000 0.985 456 V HN -0.006 nan 8.190 nan 0.000 0.438 457 L N 6.537 127.787 121.223 0.044 0.000 2.362 457 L HA 0.770 5.110 4.340 -0.000 0.000 0.275 457 L C -0.916 175.995 176.870 0.069 0.000 0.998 457 L CA -0.483 54.388 54.840 0.052 0.000 0.820 457 L CB 1.788 43.855 42.059 0.013 0.000 1.270 457 L HN 0.423 nan 8.230 nan 0.000 0.415 458 V N 4.798 124.758 119.914 0.077 0.000 2.483 458 V HA 0.680 4.799 4.120 -0.000 0.000 0.297 458 V C -0.438 175.680 176.094 0.040 0.000 1.027 458 V CA -0.058 62.283 62.300 0.069 0.000 0.855 458 V CB 2.221 34.109 31.823 0.109 0.000 0.995 458 V HN 0.980 nan 8.190 nan 0.000 0.424 459 T N 7.847 122.413 114.554 0.021 0.000 2.794 459 T HA 0.764 5.114 4.350 -0.000 0.000 0.280 459 T C -0.772 173.967 174.700 0.064 0.000 0.987 459 T CA -0.311 61.802 62.100 0.022 0.000 0.993 459 T CB 1.303 70.164 68.868 -0.012 0.000 0.939 459 T HN 0.747 nan 8.240 nan 0.000 0.449 460 L N 1.659 122.933 121.223 0.085 0.000 2.592 460 L HA 0.813 5.153 4.340 -0.000 0.000 0.258 460 L C -0.635 176.331 176.870 0.161 0.000 0.926 460 L CA 0.097 55.033 54.840 0.160 0.000 0.885 460 L CB 1.563 43.733 42.059 0.185 0.000 1.380 460 L HN 0.871 nan 8.230 nan 0.000 0.415 461 G N 1.298 110.236 108.800 0.230 0.000 2.489 461 G HA2 0.726 4.686 3.960 -0.000 0.000 0.305 461 G HA3 0.726 4.686 3.960 -0.000 0.000 0.305 461 G C -1.265 173.818 174.900 0.305 0.000 1.311 461 G CA -0.188 45.046 45.100 0.224 0.000 0.813 461 G HN 1.150 nan 8.290 nan 0.000 0.480 462 G N -1.316 107.646 108.800 0.270 0.000 2.660 462 G HA2 0.763 4.722 3.960 -0.000 0.000 0.290 462 G HA3 0.763 4.722 3.960 -0.000 0.000 0.290 462 G C -1.526 173.444 174.900 0.117 0.000 1.432 462 G CA -0.555 44.662 45.100 0.196 0.000 0.807 462 G HN 0.717 nan 8.290 nan 0.000 0.485 463 R N -1.086 119.324 120.500 -0.150 0.000 2.707 463 R HA 0.653 4.993 4.340 -0.000 0.000 0.272 463 R C -2.268 174.018 176.300 -0.023 0.000 1.011 463 R CA -0.897 55.240 56.100 0.061 0.000 0.893 463 R CB 2.173 32.498 30.300 0.041 0.000 1.233 463 R HN 0.635 nan 8.270 nan 0.000 0.464 464 Y N 1.857 122.195 120.300 0.063 0.000 2.406 464 Y HA 0.445 4.995 4.550 -0.000 0.000 0.340 464 Y C -1.466 174.370 175.900 -0.107 0.000 0.975 464 Y CA -0.607 57.478 58.100 -0.024 0.000 1.056 464 Y CB 1.980 40.467 38.460 0.045 0.000 1.210 464 Y HN 0.590 nan 8.280 nan 0.000 0.448 465 D N 4.917 124.886 120.400 -0.718 0.000 2.481 465 D HA 0.198 4.838 4.640 -0.000 0.000 0.244 465 D C -1.255 174.646 176.300 -0.665 0.000 1.057 465 D CA -0.231 53.519 54.000 -0.417 0.000 0.848 465 D CB 1.749 42.473 40.800 -0.127 0.000 1.388 465 D HN 0.579 nan 8.370 nan 0.000 0.475 466 W N 1.512 122.810 121.300 -0.003 0.000 2.322 466 W HA 0.471 5.131 4.660 -0.000 0.000 0.321 466 W C -0.578 175.994 176.519 0.088 0.000 0.991 466 W CA -0.752 56.623 57.345 0.050 0.000 1.448 466 W CB 1.394 30.946 29.460 0.152 0.000 1.239 466 W HN 0.286 nan 8.180 nan 0.000 0.399 467 A N 3.994 126.917 122.820 0.172 0.000 2.394 467 A HA 0.453 4.773 4.320 -0.000 0.000 0.333 467 A C -0.515 177.171 177.584 0.169 0.000 1.397 467 A CA -0.437 51.718 52.037 0.196 0.000 0.884 467 A CB 0.246 19.394 19.000 0.247 0.000 1.147 467 A HN 0.385 nan 8.150 nan 0.000 0.505 468 D N 2.175 122.681 120.400 0.178 0.000 2.256 468 D HA 0.462 5.101 4.640 -0.000 0.000 0.246 468 D C -0.122 176.244 176.300 0.110 0.000 1.042 468 D CA -0.122 53.965 54.000 0.144 0.000 0.841 468 D CB 1.575 42.471 40.800 0.159 0.000 1.223 468 D HN 0.732 nan 8.370 nan 0.000 0.470 469 Q N -0.330 119.523 119.800 0.089 0.000 2.433 469 Q HA 0.710 5.050 4.340 -0.000 0.000 0.279 469 Q C -1.048 174.985 176.000 0.054 0.000 1.105 469 Q CA -1.025 54.818 55.803 0.067 0.000 0.815 469 Q CB 2.953 31.726 28.738 0.059 0.000 1.403 469 Q HN 0.400 nan 8.270 nan 0.000 0.435 470 E N 0.731 120.956 120.200 0.042 0.000 2.321 470 E HA 0.358 4.708 4.350 -0.000 0.000 0.281 470 E C -1.901 174.708 176.600 0.015 0.000 0.910 470 E CA -0.436 55.982 56.400 0.030 0.000 0.770 470 E CB 2.434 32.155 29.700 0.035 0.000 1.225 470 E HN 0.571 nan 8.360 nan 0.000 0.417 471 S N 4.379 120.081 115.700 0.003 0.000 2.552 471 S HA 0.493 4.963 4.470 -0.000 0.000 0.314 471 S C -1.330 173.253 174.600 -0.028 0.000 1.099 471 S CA -0.758 57.432 58.200 -0.016 0.000 1.070 471 S CB 0.712 63.902 63.200 -0.017 0.000 0.998 471 S HN 0.487 nan 8.310 nan 0.000 0.474 472 L N 5.410 126.609 121.223 -0.040 0.000 2.282 472 L HA 0.660 5.000 4.340 -0.000 0.000 0.288 472 L C -0.442 176.382 176.870 -0.076 0.000 1.033 472 L CA -0.181 54.634 54.840 -0.043 0.000 0.807 472 L CB 1.313 43.355 42.059 -0.029 0.000 1.209 472 L HN 0.621 nan 8.230 nan 0.000 0.423 473 N N 4.066 122.724 118.700 -0.070 0.000 2.527 473 N HA 0.264 5.004 4.740 -0.000 0.000 0.236 473 N C 0.589 176.059 175.510 -0.067 0.000 0.999 473 N CA -0.178 52.814 53.050 -0.097 0.000 0.935 473 N CB 0.814 39.257 38.487 -0.074 0.000 1.132 473 N HN 0.759 nan 8.380 nan 0.000 0.511 474 R N 1.754 122.209 120.500 -0.075 0.000 2.120 474 R HA -0.036 4.303 4.340 -0.000 0.000 0.234 474 R C 1.579 177.867 176.300 -0.020 0.000 1.123 474 R CA 1.002 57.079 56.100 -0.038 0.000 0.975 474 R CB 0.065 30.346 30.300 -0.031 0.000 0.866 474 R HN 0.312 nan 8.270 nan 0.000 0.446 475 V N 0.585 120.482 119.914 -0.029 0.000 2.379 475 V HA -0.138 3.981 4.120 -0.000 0.000 0.245 475 V C 2.058 178.152 176.094 -0.001 0.000 1.044 475 V CA 1.976 64.274 62.300 -0.003 0.000 1.036 475 V CB -0.288 31.536 31.823 0.001 0.000 0.664 475 V HN 0.392 nan 8.190 nan 0.000 0.453 476 A N -0.709 122.105 122.820 -0.010 0.000 2.275 476 A HA 0.431 4.750 4.320 -0.000 0.000 0.212 476 A C 1.882 179.464 177.584 -0.004 0.000 1.201 476 A CA 0.781 52.817 52.037 -0.002 0.000 0.843 476 A CB -0.408 18.592 19.000 -0.001 0.000 0.873 476 A HN 1.120 nan 8.150 nan 0.000 0.492 477 G N 0.477 109.272 108.800 -0.009 0.000 2.258 477 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.274 477 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.274 477 G C 0.469 175.364 174.900 -0.009 0.000 1.021 477 G CA 1.194 46.290 45.100 -0.007 0.000 0.798 477 G HN 1.490 nan 8.290 nan 0.000 0.507 478 T N -3.265 111.280 114.554 -0.014 0.000 2.949 478 T HA 0.781 5.131 4.350 -0.000 0.000 0.287 478 T C -0.273 174.417 174.700 -0.017 0.000 1.034 478 T CA 0.036 62.129 62.100 -0.013 0.000 1.018 478 T CB 2.689 71.552 68.868 -0.009 0.000 1.135 478 T HN 0.409 nan 8.240 nan 0.000 0.532 479 T N 1.973 116.519 114.554 -0.014 0.000 2.949 479 T HA 0.425 4.775 4.350 -0.000 0.000 0.300 479 T C -1.479 173.213 174.700 -0.013 0.000 0.988 479 T CA -0.723 61.369 62.100 -0.013 0.000 0.993 479 T CB 1.071 69.934 68.868 -0.007 0.000 0.984 479 T HN 0.639 nan 8.240 nan 0.000 0.442 480 D N 3.275 123.668 120.400 -0.013 0.000 2.217 480 D HA 0.468 5.108 4.640 -0.000 0.000 0.243 480 D C -0.224 176.075 176.300 -0.002 0.000 1.054 480 D CA -0.459 53.533 54.000 -0.014 0.000 0.838 480 D CB 1.864 42.654 40.800 -0.017 0.000 1.162 480 D HN 0.395 nan 8.370 nan 0.000 0.472 481 K N 1.686 122.086 120.400 -0.000 0.000 2.482 481 K HA 0.712 5.031 4.320 -0.000 0.000 0.257 481 K C -0.563 176.048 176.600 0.018 0.000 0.969 481 K CA -0.934 55.362 56.287 0.016 0.000 0.842 481 K CB 3.386 35.899 32.500 0.022 0.000 1.359 481 K HN 0.292 nan 8.250 nan 0.000 0.441 482 R N 1.192 121.714 120.500 0.037 0.000 2.644 482 R HA 0.216 4.555 4.340 -0.000 0.000 0.257 482 R C -2.091 174.249 176.300 0.067 0.000 1.082 482 R CA -0.460 55.666 56.100 0.044 0.000 0.927 482 R CB 1.495 31.820 30.300 0.041 0.000 1.258 482 R HN 0.596 nan 8.270 nan 0.000 0.459 483 D N 2.081 122.526 120.400 0.074 0.000 2.629 483 D HA 0.369 5.009 4.640 -0.000 0.000 0.250 483 D C -1.127 175.218 176.300 0.075 0.000 1.126 483 D CA -0.188 53.873 54.000 0.102 0.000 0.852 483 D CB 1.904 42.781 40.800 0.130 0.000 1.335 483 D HN 0.360 nan 8.370 nan 0.000 0.518 484 D N 1.102 121.534 120.400 0.053 0.000 2.340 484 D HA 0.447 5.087 4.640 -0.000 0.000 0.243 484 D C -0.276 175.935 176.300 -0.148 0.000 0.988 484 D CA -0.558 53.423 54.000 -0.032 0.000 0.959 484 D CB 2.205 42.991 40.800 -0.023 0.000 1.226 484 D HN 0.052 nan 8.370 nan 0.000 0.509 485 K N 1.273 121.499 120.400 -0.289 0.000 2.541 485 K HA 0.297 4.617 4.320 -0.000 0.000 0.250 485 K C -1.000 175.184 176.600 -0.693 0.000 0.950 485 K CA -0.677 55.273 56.287 -0.560 0.000 0.805 485 K CB 1.864 34.205 32.500 -0.265 0.000 1.166 485 K HN 0.197 nan 8.250 nan 0.000 0.430 486 Q N 1.987 121.111 119.800 -1.128 0.000 2.416 486 Q HA 0.447 4.786 4.340 -0.000 0.000 0.281 486 Q C -1.593 173.875 176.000 -0.887 0.000 1.067 486 Q CA -0.727 54.489 55.803 -0.979 0.000 0.809 486 Q CB 2.400 30.251 28.738 -1.479 0.000 1.418 486 Q HN 0.526 nan 8.270 nan 0.000 0.411 487 F N 0.752 120.423 119.950 -0.466 0.000 2.577 487 F HA 0.743 5.270 4.527 -0.000 0.000 0.318 487 F C -0.790 175.003 175.800 -0.012 0.000 1.065 487 F CA -0.222 57.706 58.000 -0.119 0.000 0.929 487 F CB 2.066 41.130 39.000 0.107 0.000 1.237 487 F HN 0.553 nan 8.300 nan 0.000 0.468 488 T N 1.983 116.015 114.554 -0.870 0.000 2.885 488 T HA 0.630 4.979 4.350 -0.000 0.000 0.322 488 T C -1.653 172.680 174.700 -0.611 0.000 1.387 488 T CA -0.787 61.065 62.100 -0.413 0.000 1.041 488 T CB 1.686 70.436 68.868 -0.196 0.000 1.287 488 T HN 1.035 nan 8.240 nan 0.000 0.491 489 W N 1.028 122.125 121.300 -0.337 0.000 2.988 489 W HA 0.837 5.497 4.660 -0.000 0.000 0.355 489 W C -1.850 174.648 176.519 -0.035 0.000 1.233 489 W CA -1.137 56.118 57.345 -0.151 0.000 1.176 489 W CB 1.317 30.849 29.460 0.119 0.000 1.477 489 W HN 1.172 nan 8.180 nan 0.000 0.582 490 R N 0.973 121.421 120.500 -0.087 0.000 2.663 490 R HA 0.632 4.971 4.340 -0.000 0.000 0.267 490 R C -1.378 174.988 176.300 0.110 0.000 1.038 490 R CA -0.164 55.750 56.100 -0.310 0.000 0.886 490 R CB 1.585 31.737 30.300 -0.246 0.000 1.249 490 R HN 1.055 nan 8.270 nan 0.000 0.463 491 G N 0.284 109.128 108.800 0.072 0.000 2.720 491 G HA2 0.680 4.640 3.960 -0.000 0.000 0.295 491 G HA3 0.680 4.640 3.960 -0.000 0.000 0.295 491 G C -1.330 173.619 174.900 0.081 0.000 1.437 491 G CA -0.293 44.941 45.100 0.222 0.000 0.886 491 G HN 0.838 nan 8.290 nan 0.000 0.509 492 G N -1.492 107.303 108.800 -0.008 0.000 2.523 492 G HA2 0.698 4.658 3.960 -0.000 0.000 0.291 492 G HA3 0.698 4.658 3.960 -0.000 0.000 0.291 492 G C -1.752 172.999 174.900 -0.250 0.000 1.450 492 G CA -0.047 44.903 45.100 -0.250 0.000 0.790 492 G HN 1.420 nan 8.290 nan 0.000 0.496 493 V N -0.278 119.342 119.914 -0.490 0.000 2.789 493 V HA 0.660 4.779 4.120 -0.000 0.000 0.311 493 V C -0.689 175.369 176.094 -0.059 0.000 1.073 493 V CA -1.233 60.961 62.300 -0.176 0.000 0.921 493 V CB 2.111 33.943 31.823 0.015 0.000 1.009 493 V HN 0.718 nan 8.190 nan 0.000 0.426 494 N N 1.401 120.138 118.700 0.062 0.000 2.346 494 N HA 0.519 5.259 4.740 -0.000 0.000 0.289 494 N C -1.679 173.924 175.510 0.155 0.000 1.027 494 N CA -0.499 52.630 53.050 0.132 0.000 0.864 494 N CB 2.017 40.535 38.487 0.052 0.000 1.370 494 N HN 0.813 nan 8.380 nan 0.000 0.481 495 Y N 2.693 123.042 120.300 0.083 0.000 2.335 495 Y HA 0.461 5.010 4.550 -0.000 0.000 0.339 495 Y C -1.035 174.904 175.900 0.064 0.000 0.987 495 Y CA -0.818 57.333 58.100 0.085 0.000 1.140 495 Y CB 0.645 39.161 38.460 0.094 0.000 1.173 495 Y HN 0.380 nan 8.280 nan 0.000 0.486 496 L N 7.814 128.913 121.223 -0.207 0.000 2.259 496 L HA 0.369 4.709 4.340 -0.000 0.000 0.288 496 L C -1.587 175.385 176.870 0.171 0.000 1.051 496 L CA -0.507 54.323 54.840 -0.017 0.000 0.824 496 L CB -0.573 41.453 42.059 -0.054 0.000 1.206 496 L HN 0.420 nan 8.230 nan 0.000 0.429 497 F N 3.128 123.137 119.950 0.097 0.000 2.411 497 F HA 0.226 4.752 4.527 -0.000 0.000 0.355 497 F C 1.384 177.232 175.800 0.080 0.000 1.117 497 F CA -1.389 56.685 58.000 0.122 0.000 1.139 497 F CB 0.833 39.929 39.000 0.161 0.000 1.120 497 F HN 0.583 nan 8.300 nan 0.000 0.493 498 D N 0.374 120.906 120.400 0.219 0.000 2.357 498 D HA -0.241 4.399 4.640 -0.000 0.000 0.216 498 D C 1.226 177.618 176.300 0.153 0.000 0.973 498 D CA 0.986 55.068 54.000 0.136 0.000 0.912 498 D CB -0.573 40.267 40.800 0.067 0.000 0.900 498 D HN 0.425 nan 8.370 nan 0.000 0.501 499 N N 0.761 119.585 118.700 0.206 0.000 2.512 499 N HA -0.020 4.720 4.740 -0.000 0.000 0.183 499 N C 1.229 176.901 175.510 0.269 0.000 1.073 499 N CA 0.922 54.089 53.050 0.195 0.000 0.911 499 N CB -0.359 38.239 38.487 0.184 0.000 0.964 499 N HN 0.344 nan 8.380 nan 0.000 0.447 500 G N -0.723 108.250 108.800 0.289 0.000 2.919 500 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.225 500 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.225 500 G C -1.237 173.903 174.900 0.401 0.000 1.117 500 G CA -0.164 45.125 45.100 0.315 0.000 1.033 500 G HN 0.293 nan 8.290 nan 0.000 0.532 501 V N 1.081 121.145 119.914 0.250 0.000 2.610 501 V HA 0.711 4.831 4.120 -0.000 0.000 0.298 501 V C -0.045 176.025 176.094 -0.039 0.000 1.067 501 V CA -0.083 62.278 62.300 0.101 0.000 0.894 501 V CB 2.335 34.130 31.823 -0.047 0.000 1.015 501 V HN 0.762 nan 8.190 nan 0.000 0.432 502 T N 5.851 120.426 114.554 0.036 0.000 2.864 502 T HA 0.521 4.871 4.350 -0.000 0.000 0.310 502 T C -2.952 171.815 174.700 0.112 0.000 1.040 502 T CA -1.672 60.459 62.100 0.052 0.000 0.977 502 T CB 1.782 70.699 68.868 0.082 0.000 0.976 502 T HN 0.320 nan 8.240 nan 0.000 0.459 503 P HA 0.563 nan 4.420 nan 0.000 0.286 503 P C -1.247 176.187 177.300 0.223 0.000 1.261 503 P CA -0.605 62.535 63.100 0.067 0.000 0.821 503 P CB 0.524 32.198 31.700 -0.043 0.000 1.013 504 Y N 0.961 121.322 120.300 0.102 0.000 2.705 504 Y HA 0.838 5.388 4.550 -0.000 0.000 0.332 504 Y C -1.491 174.525 175.900 0.194 0.000 1.221 504 Y CA -1.604 56.550 58.100 0.090 0.000 1.059 504 Y CB 1.021 39.482 38.460 0.001 0.000 1.298 504 Y HN 0.462 nan 8.280 nan 0.000 0.459 505 F N -0.345 119.722 119.950 0.195 0.000 2.773 505 F HA 0.878 5.405 4.527 -0.000 0.000 0.314 505 F C -1.212 174.731 175.800 0.239 0.000 1.160 505 F CA -0.369 57.700 58.000 0.116 0.000 0.920 505 F CB 1.511 40.538 39.000 0.046 0.000 1.323 505 F HN 1.268 nan 8.300 nan 0.000 0.457 506 S N 0.528 116.322 115.700 0.156 0.000 2.645 506 S HA 0.559 5.029 4.470 -0.000 0.000 0.268 506 S C -2.450 172.287 174.600 0.229 0.000 1.110 506 S CA -0.799 57.444 58.200 0.073 0.000 0.823 506 S CB 1.294 64.475 63.200 -0.033 0.000 1.091 506 S HN 1.890 nan 8.310 nan 0.000 0.466 507 Y N 0.867 121.142 120.300 -0.041 0.000 2.462 507 Y HA 0.800 5.349 4.550 -0.000 0.000 0.346 507 Y C -0.591 175.050 175.900 -0.431 0.000 0.976 507 Y CA -0.037 57.904 58.100 -0.264 0.000 1.044 507 Y CB 2.093 40.388 38.460 -0.275 0.000 1.230 507 Y HN 1.171 nan 8.280 nan 0.000 0.455 508 S N 3.738 118.693 115.700 -1.242 0.000 2.550 508 S HA 0.657 5.127 4.470 -0.000 0.000 0.270 508 S C -1.786 172.214 174.600 -1.001 0.000 1.145 508 S CA -0.684 56.921 58.200 -0.991 0.000 0.852 508 S CB 1.410 64.296 63.200 -0.524 0.000 1.119 508 S HN 0.812 nan 8.310 nan 0.000 0.465 509 E N 0.720 120.485 120.200 -0.724 0.000 2.410 509 E HA 0.747 5.097 4.350 -0.000 0.000 0.269 509 E C -1.371 175.046 176.600 -0.304 0.000 0.937 509 E CA -1.058 55.049 56.400 -0.489 0.000 0.793 509 E CB 2.064 31.530 29.700 -0.389 0.000 1.314 509 E HN 0.659 nan 8.360 nan 0.000 0.447 510 S N 0.220 115.794 115.700 -0.209 0.000 2.570 510 S HA 0.781 5.251 4.470 -0.000 0.000 0.270 510 S C -1.269 173.306 174.600 -0.041 0.000 1.149 510 S CA -1.024 57.087 58.200 -0.148 0.000 0.837 510 S CB 0.975 64.029 63.200 -0.244 0.000 1.124 510 S HN 0.565 nan 8.310 nan 0.000 0.465 511 F N -0.857 119.002 119.950 -0.152 0.000 2.643 511 F HA 0.912 5.439 4.527 -0.000 0.000 0.314 511 F C -0.907 174.837 175.800 -0.095 0.000 1.096 511 F CA -0.884 57.046 58.000 -0.117 0.000 0.953 511 F CB 1.624 40.560 39.000 -0.106 0.000 1.345 511 F HN 0.831 nan 8.300 nan 0.000 0.468 512 E N 2.388 122.453 120.200 -0.224 0.000 2.313 512 E HA 0.425 4.775 4.350 -0.000 0.000 0.280 512 E C -2.990 173.608 176.600 -0.003 0.000 0.898 512 E CA -2.223 54.013 56.400 -0.274 0.000 0.803 512 E CB 2.389 31.962 29.700 -0.211 0.000 1.286 512 E HN 0.397 nan 8.360 nan 0.000 0.401 513 P HA 0.021 nan 4.420 nan 0.000 0.270 513 P C -0.811 176.540 177.300 0.084 0.000 1.223 513 P CA -0.204 62.969 63.100 0.122 0.000 0.785 513 P CB 1.029 32.808 31.700 0.132 0.000 0.923 514 S N 0.075 115.849 115.700 0.123 0.000 2.713 514 S HA 0.418 4.888 4.470 -0.000 0.000 0.283 514 S C 0.908 175.594 174.600 0.144 0.000 1.161 514 S CA 0.150 58.437 58.200 0.145 0.000 0.999 514 S CB 0.279 63.627 63.200 0.246 0.000 1.039 514 S HN 0.482 nan 8.310 nan 0.000 0.548 515 S N 1.145 116.936 115.700 0.151 0.000 2.649 515 S HA 0.280 4.749 4.470 -0.000 0.000 0.246 515 S C -0.031 174.660 174.600 0.152 0.000 1.057 515 S CA -0.503 57.769 58.200 0.120 0.000 1.051 515 S CB -0.016 63.237 63.200 0.089 0.000 1.018 515 S HN 0.633 nan 8.310 nan 0.000 0.569 516 Q N 1.776 121.728 119.800 0.254 0.000 2.417 516 Q HA 0.466 4.806 4.340 -0.000 0.000 0.241 516 Q C -0.352 175.789 176.000 0.235 0.000 1.008 516 Q CA -0.110 55.902 55.803 0.350 0.000 0.901 516 Q CB 1.506 30.553 28.738 0.516 0.000 1.259 516 Q HN 0.346 nan 8.270 nan 0.000 0.489 517 V N 0.254 120.224 119.914 0.093 0.000 2.531 517 V HA 0.783 4.903 4.120 -0.000 0.000 0.301 517 V C 0.113 175.954 176.094 -0.422 0.000 1.034 517 V CA -0.211 61.914 62.300 -0.290 0.000 0.865 517 V CB 1.510 33.259 31.823 -0.124 0.000 0.995 517 V HN 0.798 nan 8.190 nan 0.000 0.424 518 G N 4.079 112.258 108.800 -1.034 0.000 2.553 518 G HA2 0.192 4.152 3.960 -0.000 0.000 0.278 518 G HA3 0.192 4.152 3.960 -0.000 0.000 0.278 518 G C 0.428 174.805 174.900 -0.871 0.000 1.349 518 G CA 0.084 44.741 45.100 -0.739 0.000 1.037 518 G HN 0.954 nan 8.290 nan 0.000 0.508 519 K N -0.467 119.491 120.400 -0.736 0.000 2.147 519 K HA -0.113 4.206 4.320 -0.000 0.000 0.205 519 K C 1.611 177.854 176.600 -0.594 0.000 1.049 519 K CA 1.556 57.249 56.287 -0.990 0.000 0.936 519 K CB 0.001 32.337 32.500 -0.273 0.000 0.722 519 K HN 0.572 nan 8.250 nan 0.000 0.446 520 D N -0.972 119.195 120.400 -0.388 0.000 2.323 520 D HA 0.016 4.656 4.640 -0.000 0.000 0.239 520 D C 0.851 177.000 176.300 -0.252 0.000 1.129 520 D CA 0.710 54.556 54.000 -0.257 0.000 0.865 520 D CB -0.121 40.577 40.800 -0.170 0.000 0.913 520 D HN 0.316 nan 8.370 nan 0.000 0.517 521 G N -0.158 108.443 108.800 -0.332 0.000 2.155 521 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.257 521 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.257 521 G C -0.058 174.718 174.900 -0.207 0.000 0.983 521 G CA 0.258 45.217 45.100 -0.234 0.000 0.676 521 G HN 0.558 nan 8.290 nan 0.000 0.528 522 N N -1.108 117.429 118.700 -0.271 0.000 2.471 522 N HA 0.685 5.424 4.740 -0.000 0.000 0.288 522 N C -0.074 175.236 175.510 -0.333 0.000 1.220 522 N CA -1.024 51.886 53.050 -0.234 0.000 0.893 522 N CB 1.357 39.731 38.487 -0.187 0.000 1.256 522 N HN 0.107 nan 8.380 nan 0.000 0.534 523 I N 2.196 122.640 120.570 -0.211 0.000 2.371 523 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 523 I C -0.109 175.915 176.117 -0.155 0.000 1.028 523 I CA -0.307 60.887 61.300 -0.176 0.000 1.345 523 I CB 0.278 38.260 38.000 -0.031 0.000 1.407 523 I HN 0.359 nan 8.210 nan 0.000 0.501 524 F N 4.375 124.338 119.950 0.022 0.000 2.587 524 F HA 0.179 4.706 4.527 -0.000 0.000 0.327 524 F C 1.131 176.951 175.800 0.033 0.000 1.232 524 F CA -0.047 57.969 58.000 0.027 0.000 1.353 524 F CB 0.158 39.181 39.000 0.039 0.000 1.156 524 F HN 0.440 nan 8.300 nan 0.000 0.599 525 A N 1.077 124.058 122.820 0.268 0.000 2.257 525 A HA 0.558 4.878 4.320 -0.000 0.000 0.289 525 A C -2.374 175.303 177.584 0.156 0.000 1.095 525 A CA -1.628 50.504 52.037 0.159 0.000 0.836 525 A CB -0.315 18.757 19.000 0.120 0.000 1.111 525 A HN 0.460 nan 8.150 nan 0.000 0.497 526 P HA 0.128 nan 4.420 nan 0.000 0.270 526 P C -0.242 177.120 177.300 0.104 0.000 1.227 526 P CA 0.226 63.412 63.100 0.144 0.000 0.788 526 P CB 0.571 32.389 31.700 0.195 0.000 0.926 527 S N 0.241 115.987 115.700 0.077 0.000 2.621 527 S HA 0.645 5.114 4.470 -0.000 0.000 0.302 527 S C -0.702 173.916 174.600 0.030 0.000 1.093 527 S CA -0.783 57.437 58.200 0.034 0.000 1.017 527 S CB 1.663 64.862 63.200 -0.002 0.000 1.077 527 S HN 0.221 nan 8.310 nan 0.000 0.517 528 K N -0.082 120.318 120.400 0.001 0.000 2.395 528 K HA 0.645 4.965 4.320 -0.000 0.000 0.247 528 K C -0.507 176.034 176.600 -0.098 0.000 0.973 528 K CA -0.962 55.319 56.287 -0.010 0.000 0.828 528 K CB 2.288 34.808 32.500 0.033 0.000 1.272 528 K HN 0.844 nan 8.250 nan 0.000 0.439 529 G N 1.726 110.443 108.800 -0.137 0.000 2.417 529 G HA2 0.442 4.402 3.960 -0.000 0.000 0.320 529 G HA3 0.442 4.402 3.960 -0.000 0.000 0.320 529 G C -0.880 173.881 174.900 -0.232 0.000 1.204 529 G CA -0.468 44.493 45.100 -0.230 0.000 0.923 529 G HN 0.184 nan 8.290 nan 0.000 0.466 530 K N 1.947 122.214 120.400 -0.221 0.000 2.545 530 K HA 0.360 4.680 4.320 -0.000 0.000 0.252 530 K C -0.881 175.564 176.600 -0.259 0.000 0.948 530 K CA -0.578 55.562 56.287 -0.245 0.000 0.827 530 K CB 2.472 34.947 32.500 -0.042 0.000 1.128 530 K HN 0.707 nan 8.250 nan 0.000 0.429 531 Q N 2.848 122.371 119.800 -0.461 0.000 2.304 531 Q HA 0.384 4.724 4.340 -0.000 0.000 0.270 531 Q C -1.450 174.328 176.000 -0.369 0.000 1.035 531 Q CA -0.727 54.899 55.803 -0.294 0.000 0.781 531 Q CB 1.357 29.954 28.738 -0.235 0.000 1.261 531 Q HN 0.449 nan 8.270 nan 0.000 0.444 532 Y N 1.803 122.162 120.300 0.099 0.000 2.331 532 Y HA 0.380 4.929 4.550 -0.000 0.000 0.338 532 Y C -0.174 175.833 175.900 0.178 0.000 0.976 532 Y CA -0.496 57.712 58.100 0.180 0.000 1.137 532 Y CB 1.733 40.306 38.460 0.189 0.000 1.172 532 Y HN 0.608 nan 8.280 nan 0.000 0.478 533 E N 2.785 123.165 120.200 0.300 0.000 2.317 533 E HA 0.764 5.114 4.350 -0.000 0.000 0.270 533 E C -1.819 174.916 176.600 0.225 0.000 0.885 533 E CA -0.998 55.561 56.400 0.265 0.000 0.760 533 E CB 2.205 32.042 29.700 0.227 0.000 1.227 533 E HN 0.455 nan 8.360 nan 0.000 0.434 534 V N 0.376 120.344 119.914 0.090 0.000 3.087 534 V HA 1.036 5.156 4.120 -0.000 0.000 0.306 534 V C -0.519 175.390 176.094 -0.309 0.000 1.187 534 V CA 0.377 62.626 62.300 -0.086 0.000 0.999 534 V CB 1.409 33.244 31.823 0.019 0.000 1.049 534 V HN 0.939 nan 8.190 nan 0.000 0.431 535 G N 1.120 109.534 108.800 -0.643 0.000 2.313 535 G HA2 0.669 4.629 3.960 -0.000 0.000 0.296 535 G HA3 0.669 4.629 3.960 -0.000 0.000 0.296 535 G C -1.211 173.440 174.900 -0.415 0.000 1.356 535 G CA 0.208 45.053 45.100 -0.425 0.000 0.833 535 G HN 2.179 nan 8.290 nan 0.000 0.552 536 V N -2.468 117.425 119.914 -0.034 0.000 2.914 536 V HA 0.941 5.061 4.120 -0.000 0.000 0.314 536 V C -0.806 175.437 176.094 0.247 0.000 1.084 536 V CA -1.263 61.110 62.300 0.121 0.000 0.963 536 V CB 2.026 33.871 31.823 0.037 0.000 1.025 536 V HN 0.789 nan 8.190 nan 0.000 0.432 537 K N 3.165 123.717 120.400 0.253 0.000 2.450 537 K HA 0.419 4.739 4.320 -0.000 0.000 0.257 537 K C -1.897 174.823 176.600 0.201 0.000 0.953 537 K CA -0.583 55.825 56.287 0.201 0.000 0.844 537 K CB 1.974 34.556 32.500 0.137 0.000 1.103 537 K HN 0.815 nan 8.250 nan 0.000 0.429 538 Y N 3.669 124.004 120.300 0.058 0.000 2.594 538 Y HA 0.243 4.793 4.550 -0.000 0.000 0.342 538 Y C -0.851 175.075 175.900 0.043 0.000 1.010 538 Y CA -1.007 57.121 58.100 0.047 0.000 1.270 538 Y CB 0.570 39.060 38.460 0.049 0.000 1.125 538 Y HN 0.221 nan 8.280 nan 0.000 0.513 539 V N 9.434 129.283 119.914 -0.107 0.000 2.260 539 V HA 0.269 4.388 4.120 -0.000 0.000 0.263 539 V C -2.241 173.720 176.094 -0.221 0.000 1.036 539 V CA -1.622 60.553 62.300 -0.209 0.000 0.874 539 V CB 0.567 32.345 31.823 -0.075 0.000 1.116 539 V HN 0.643 nan 8.190 nan 0.000 0.454 540 P HA 0.112 nan 4.420 nan 0.000 0.271 540 P C 0.372 177.612 177.300 -0.100 0.000 1.226 540 P CA 0.162 63.139 63.100 -0.204 0.000 0.765 540 P CB 1.874 33.392 31.700 -0.302 0.000 0.835 541 E N 3.005 123.190 120.200 -0.024 0.000 2.358 541 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 541 E C 0.748 177.339 176.600 -0.015 0.000 1.010 541 E CA 1.464 57.852 56.400 -0.020 0.000 0.856 541 E CB -0.359 29.341 29.700 -0.001 0.000 0.795 541 E HN 0.517 nan 8.360 nan 0.000 0.504 542 D N -1.015 119.384 120.400 -0.002 0.000 2.202 542 D HA -0.004 4.635 4.640 -0.000 0.000 0.214 542 D C 0.374 176.670 176.300 -0.006 0.000 0.967 542 D CA 0.551 54.553 54.000 0.004 0.000 0.871 542 D CB -0.095 40.721 40.800 0.026 0.000 1.020 542 D HN -0.051 nan 8.370 nan 0.000 0.474 543 R N 0.481 120.975 120.500 -0.009 0.000 2.643 543 R HA 0.458 4.798 4.340 -0.000 0.000 0.272 543 R C -2.329 173.945 176.300 -0.043 0.000 0.995 543 R CA -2.052 54.040 56.100 -0.014 0.000 1.032 543 R CB 0.638 30.947 30.300 0.015 0.000 1.126 543 R HN 0.042 nan 8.270 nan 0.000 0.505 544 P HA 0.129 nan 4.420 nan 0.000 0.238 544 P C -0.833 176.443 177.300 -0.038 0.000 1.794 544 P CA 0.189 63.265 63.100 -0.040 0.000 1.088 544 P CB -0.128 31.555 31.700 -0.028 0.000 1.923 545 I N 0.025 120.543 120.570 -0.086 0.000 2.994 545 I HA 0.745 4.915 4.170 -0.000 0.000 0.306 545 I C -1.697 174.321 176.117 -0.165 0.000 1.195 545 I CA -1.453 59.795 61.300 -0.087 0.000 1.001 545 I CB 2.836 40.795 38.000 -0.067 0.000 1.244 545 I HN -0.193 nan 8.210 nan 0.000 0.437 546 V N 4.041 123.898 119.914 -0.095 0.000 2.851 546 V HA 0.658 4.777 4.120 -0.000 0.000 0.307 546 V C -0.687 175.411 176.094 0.007 0.000 1.129 546 V CA -0.619 61.627 62.300 -0.091 0.000 0.932 546 V CB 1.784 33.581 31.823 -0.043 0.000 1.024 546 V HN 0.649 nan 8.190 nan 0.000 0.426 547 V N 2.497 122.443 119.914 0.054 0.000 2.777 547 V HA 0.750 4.870 4.120 -0.000 0.000 0.306 547 V C -0.383 175.802 176.094 0.153 0.000 1.112 547 V CA -0.146 62.239 62.300 0.142 0.000 0.917 547 V CB 2.373 34.340 31.823 0.241 0.000 1.018 547 V HN 1.037 nan 8.190 nan 0.000 0.426 548 T N 2.719 117.356 114.554 0.139 0.000 2.906 548 T HA 0.878 5.228 4.350 -0.000 0.000 0.295 548 T C -0.397 174.398 174.700 0.159 0.000 1.061 548 T CA 0.070 62.261 62.100 0.153 0.000 1.000 548 T CB 1.867 70.810 68.868 0.126 0.000 1.103 548 T HN 1.170 nan 8.240 nan 0.000 0.486 549 G N 0.881 109.786 108.800 0.175 0.000 2.719 549 G HA2 0.794 4.754 3.960 -0.000 0.000 0.298 549 G HA3 0.794 4.754 3.960 -0.000 0.000 0.298 549 G C -1.405 173.591 174.900 0.161 0.000 1.411 549 G CA -0.174 45.018 45.100 0.154 0.000 0.991 549 G HN 1.054 nan 8.290 nan 0.000 0.509 550 A N 0.011 122.930 122.820 0.166 0.000 2.604 550 A HA 0.923 5.243 4.320 -0.000 0.000 0.295 550 A C -1.394 176.306 177.584 0.193 0.000 1.067 550 A CA -0.360 51.776 52.037 0.164 0.000 0.683 550 A CB 1.893 21.046 19.000 0.256 0.000 1.281 550 A HN 2.247 nan 8.150 nan 0.000 0.407 551 V N 1.600 121.617 119.914 0.172 0.000 2.888 551 V HA 0.945 5.065 4.120 -0.000 0.000 0.309 551 V C -1.697 174.527 176.094 0.216 0.000 1.114 551 V CA -0.513 61.879 62.300 0.154 0.000 0.940 551 V CB 1.886 33.744 31.823 0.058 0.000 1.021 551 V HN 1.879 nan 8.190 nan 0.000 0.426 552 Y N 2.695 123.047 120.300 0.086 0.000 2.609 552 Y HA 0.602 5.152 4.550 -0.000 0.000 0.336 552 Y C -1.221 174.740 175.900 0.102 0.000 1.129 552 Y CA -1.123 57.035 58.100 0.096 0.000 1.040 552 Y CB 1.581 40.085 38.460 0.074 0.000 1.310 552 Y HN 0.687 nan 8.280 nan 0.000 0.460 553 N N 2.500 121.363 118.700 0.272 0.000 2.443 553 N HA 0.452 5.192 4.740 -0.000 0.000 0.269 553 N C -2.249 173.443 175.510 0.302 0.000 0.985 553 N CA -0.407 52.771 53.050 0.212 0.000 0.921 553 N CB 1.665 40.284 38.487 0.220 0.000 1.195 553 N HN 0.795 nan 8.380 nan 0.000 0.492 554 L N 3.092 124.502 121.223 0.311 0.000 2.333 554 L HA 0.551 4.890 4.340 -0.000 0.000 0.280 554 L C -0.831 176.106 176.870 0.112 0.000 1.004 554 L CA -0.081 54.870 54.840 0.185 0.000 0.820 554 L CB 1.833 44.024 42.059 0.219 0.000 1.247 554 L HN 0.348 nan 8.230 nan 0.000 0.416 555 T N 4.866 119.422 114.554 0.002 0.000 2.848 555 T HA 0.380 4.729 4.350 -0.000 0.000 0.285 555 T C -1.027 173.607 174.700 -0.110 0.000 0.995 555 T CA -0.615 61.485 62.100 0.001 0.000 0.970 555 T CB 1.292 70.200 68.868 0.067 0.000 0.976 555 T HN 0.518 nan 8.240 nan 0.000 0.441 556 K N 2.985 123.322 120.400 -0.106 0.000 2.265 556 K HA 0.585 4.905 4.320 -0.000 0.000 0.267 556 K C -0.353 176.237 176.600 -0.017 0.000 0.994 556 K CA -0.511 55.687 56.287 -0.149 0.000 0.860 556 K CB 0.856 33.219 32.500 -0.229 0.000 1.099 556 K HN 0.771 nan 8.250 nan 0.000 0.448 557 T N 0.848 115.394 114.554 -0.013 0.000 2.912 557 T HA 0.300 4.649 4.350 -0.000 0.000 0.288 557 T C 0.062 174.777 174.700 0.026 0.000 1.030 557 T CA -0.665 61.451 62.100 0.026 0.000 1.020 557 T CB 1.174 70.065 68.868 0.039 0.000 1.056 557 T HN 0.737 nan 8.240 nan 0.000 0.480 558 N N 0.489 119.210 118.700 0.035 0.000 2.816 558 N HA -0.181 4.559 4.740 -0.000 0.000 0.247 558 N C -0.863 174.650 175.510 0.005 0.000 1.100 558 N CA 0.378 53.444 53.050 0.026 0.000 0.687 558 N CB -1.710 36.800 38.487 0.038 0.000 1.003 558 N HN 0.880 nan 8.380 nan 0.000 0.554 559 N N 0.571 119.284 118.700 0.022 0.000 2.497 559 N HA 0.248 4.988 4.740 -0.000 0.000 0.271 559 N C -0.019 175.471 175.510 -0.033 0.000 1.142 559 N CA -0.165 52.901 53.050 0.026 0.000 0.965 559 N CB 0.502 39.051 38.487 0.103 0.000 1.077 559 N HN 0.294 nan 8.380 nan 0.000 0.462 560 L N 3.780 124.939 121.223 -0.107 0.000 2.455 560 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 560 L C 0.838 177.651 176.870 -0.095 0.000 1.174 560 L CA 0.134 54.834 54.840 -0.232 0.000 0.869 560 L CB 0.136 41.964 42.059 -0.385 0.000 1.130 560 L HN 0.608 nan 8.230 nan 0.000 0.474 561 M N 2.691 122.235 119.600 -0.093 0.000 2.812 561 M HA 0.784 5.264 4.480 -0.000 0.000 0.285 561 M C -0.879 175.401 176.300 -0.033 0.000 1.216 561 M CA -0.855 54.421 55.300 -0.040 0.000 0.749 561 M CB 1.878 34.455 32.600 -0.038 0.000 1.756 561 M HN 0.406 nan 8.290 nan 0.000 0.439 562 A N 1.407 124.192 122.820 -0.057 0.000 2.354 562 A HA 0.282 4.601 4.320 -0.000 0.000 0.269 562 A C -0.540 177.044 177.584 0.000 0.000 1.109 562 A CA -0.237 51.781 52.037 -0.032 0.000 0.800 562 A CB 0.054 18.998 19.000 -0.093 0.000 1.045 562 A HN 0.797 nan 8.150 nan 0.000 0.489 563 D N 2.767 123.203 120.400 0.059 0.000 2.389 563 D HA 0.110 4.750 4.640 -0.000 0.000 0.263 563 D C -1.426 174.900 176.300 0.045 0.000 1.255 563 D CA -1.426 52.626 54.000 0.087 0.000 0.914 563 D CB 0.804 41.690 40.800 0.143 0.000 1.116 563 D HN 0.168 nan 8.370 nan 0.000 0.502 564 P HA -0.155 nan 4.420 nan 0.000 0.218 564 P C -0.084 177.226 177.300 0.017 0.000 1.146 564 P CA 1.175 64.278 63.100 0.006 0.000 0.820 564 P CB 0.157 31.863 31.700 0.009 0.000 0.778 565 E N -1.306 118.918 120.200 0.039 0.000 2.411 565 E HA 0.336 4.686 4.350 -0.000 0.000 0.204 565 E C 1.041 177.670 176.600 0.049 0.000 1.059 565 E CA 0.119 56.543 56.400 0.040 0.000 1.112 565 E CB -0.568 29.158 29.700 0.043 0.000 1.168 565 E HN 0.106 nan 8.360 nan 0.000 0.445 566 G N 1.893 110.727 108.800 0.055 0.000 2.175 566 G HA2 -0.389 3.570 3.960 -0.000 0.000 0.265 566 G HA3 -0.389 3.570 3.960 -0.000 0.000 0.265 566 G C 0.651 175.621 174.900 0.117 0.000 0.979 566 G CA 0.812 45.958 45.100 0.076 0.000 0.663 566 G HN 0.508 nan 8.290 nan 0.000 0.533 567 S N -1.101 114.674 115.700 0.124 0.000 2.652 567 S HA 0.677 5.147 4.470 -0.000 0.000 0.267 567 S C 0.811 175.597 174.600 0.311 0.000 1.201 567 S CA -0.209 58.063 58.200 0.120 0.000 0.996 567 S CB 0.574 63.864 63.200 0.150 0.000 1.054 567 S HN 0.257 nan 8.310 nan 0.000 0.561 568 F N -0.054 119.729 119.950 -0.278 0.000 2.732 568 F HA 0.470 4.997 4.527 -0.000 0.000 0.303 568 F C -0.144 175.359 175.800 -0.495 0.000 1.110 568 F CA -1.630 56.135 58.000 -0.393 0.000 1.355 568 F CB -1.085 37.627 39.000 -0.478 0.000 1.081 568 F HN 0.275 nan 8.300 nan 0.000 0.565 569 F N -1.212 118.885 119.950 0.246 0.000 2.497 569 F HA 0.504 5.031 4.527 -0.000 0.000 0.331 569 F C 1.002 176.918 175.800 0.193 0.000 1.060 569 F CA -1.012 57.115 58.000 0.212 0.000 0.989 569 F CB 0.689 39.804 39.000 0.191 0.000 1.245 569 F HN -0.443 nan 8.300 nan 0.000 0.486 570 S N -0.146 115.851 115.700 0.495 0.000 2.738 570 S HA 0.812 5.282 4.470 -0.000 0.000 0.284 570 S C -0.952 173.819 174.600 0.285 0.000 1.146 570 S CA -0.599 57.746 58.200 0.241 0.000 0.997 570 S CB 1.957 65.173 63.200 0.027 0.000 1.081 570 S HN 0.348 nan 8.310 nan 0.000 0.553 571 V N 0.507 120.458 119.914 0.061 0.000 3.147 571 V HA 0.403 4.522 4.120 -0.000 0.000 0.306 571 V C -0.354 175.701 176.094 -0.066 0.000 1.209 571 V CA -0.800 61.572 62.300 0.121 0.000 1.023 571 V CB 2.178 34.066 31.823 0.110 0.000 1.059 571 V HN 1.053 nan 8.190 nan 0.000 0.435 572 E N 1.496 121.698 120.200 0.004 0.000 3.232 572 E HA 0.615 4.965 4.350 -0.000 0.000 0.248 572 E C 0.928 177.530 176.600 0.003 0.000 1.048 572 E CA 0.007 56.377 56.400 -0.051 0.000 1.204 572 E CB 0.876 30.588 29.700 0.020 0.000 1.535 572 E HN 1.478 nan 8.360 nan 0.000 0.567 573 G N -0.759 108.052 108.800 0.019 0.000 2.189 573 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 573 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 573 G C 0.543 175.463 174.900 0.033 0.000 0.975 573 G CA 0.283 45.403 45.100 0.032 0.000 0.644 573 G HN 0.803 nan 8.290 nan 0.000 0.537 574 G N -0.580 108.236 108.800 0.027 0.000 2.606 574 G HA2 0.503 4.462 3.960 -0.000 0.000 0.252 574 G HA3 0.503 4.462 3.960 -0.000 0.000 0.252 574 G C -0.227 174.723 174.900 0.083 0.000 1.206 574 G CA 0.554 45.688 45.100 0.058 0.000 0.861 574 G HN 0.754 nan 8.290 nan 0.000 0.561 575 E N -0.376 119.895 120.200 0.118 0.000 2.304 575 E HA 0.480 4.830 4.350 -0.000 0.000 0.277 575 E C -1.410 175.281 176.600 0.152 0.000 0.898 575 E CA -0.677 55.793 56.400 0.116 0.000 0.764 575 E CB 1.705 31.459 29.700 0.089 0.000 1.216 575 E HN 0.321 nan 8.360 nan 0.000 0.419 576 I N 3.421 124.080 120.570 0.148 0.000 2.474 576 I HA 0.470 4.640 4.170 -0.000 0.000 0.294 576 I C -0.346 175.873 176.117 0.169 0.000 1.005 576 I CA -0.645 60.732 61.300 0.129 0.000 1.113 576 I CB 1.835 39.896 38.000 0.101 0.000 1.289 576 I HN 0.416 nan 8.210 nan 0.000 0.436 577 R N 5.177 125.741 120.500 0.107 0.000 2.637 577 R HA 0.900 5.240 4.340 -0.000 0.000 0.291 577 R C -1.655 174.695 176.300 0.082 0.000 0.963 577 R CA -0.638 55.536 56.100 0.125 0.000 0.901 577 R CB 1.859 32.204 30.300 0.075 0.000 1.160 577 R HN 0.699 nan 8.270 nan 0.000 0.457 578 A N 5.391 128.307 122.820 0.159 0.000 2.375 578 A HA 0.478 4.798 4.320 -0.000 0.000 0.291 578 A C -0.907 176.702 177.584 0.041 0.000 1.160 578 A CA -0.983 51.119 52.037 0.107 0.000 0.747 578 A CB 0.876 20.042 19.000 0.277 0.000 1.170 578 A HN 0.845 nan 8.150 nan 0.000 0.458 579 R N 1.930 122.329 120.500 -0.169 0.000 2.589 579 R HA 0.830 5.170 4.340 -0.000 0.000 0.293 579 R C 0.065 176.008 176.300 -0.596 0.000 0.963 579 R CA -0.541 55.339 56.100 -0.367 0.000 0.905 579 R CB 2.044 32.246 30.300 -0.163 0.000 1.144 579 R HN 0.848 nan 8.270 nan 0.000 0.459 580 G N 0.403 108.544 108.800 -1.099 0.000 2.600 580 G HA2 0.490 4.450 3.960 -0.000 0.000 0.293 580 G HA3 0.490 4.450 3.960 -0.000 0.000 0.293 580 G C -1.699 173.067 174.900 -0.222 0.000 1.408 580 G CA -0.570 44.179 45.100 -0.584 0.000 0.782 580 G HN 0.324 nan 8.290 nan 0.000 0.482 581 V N 0.057 120.068 119.914 0.163 0.000 2.638 581 V HA 0.667 4.787 4.120 -0.000 0.000 0.306 581 V C -0.744 175.502 176.094 0.254 0.000 1.052 581 V CA -0.753 61.689 62.300 0.236 0.000 0.885 581 V CB 1.760 33.734 31.823 0.252 0.000 0.999 581 V HN 0.802 nan 8.190 nan 0.000 0.424 582 E N 4.669 125.015 120.200 0.244 0.000 2.256 582 E HA 0.632 4.982 4.350 -0.000 0.000 0.268 582 E C -1.210 175.505 176.600 0.193 0.000 0.877 582 E CA -0.567 55.947 56.400 0.190 0.000 0.757 582 E CB 2.991 32.785 29.700 0.157 0.000 1.183 582 E HN 0.661 nan 8.360 nan 0.000 0.418 583 I N 0.614 121.307 120.570 0.204 0.000 2.582 583 I HA 0.543 4.712 4.170 -0.000 0.000 0.292 583 I C -1.297 174.922 176.117 0.171 0.000 1.066 583 I CA -0.471 60.942 61.300 0.189 0.000 1.053 583 I CB 1.930 40.049 38.000 0.198 0.000 1.241 583 I HN 0.653 nan 8.210 nan 0.000 0.421 584 E N 5.114 125.399 120.200 0.143 0.000 2.277 584 E HA 0.846 5.195 4.350 -0.000 0.000 0.266 584 E C -1.610 175.066 176.600 0.127 0.000 0.901 584 E CA -0.920 55.557 56.400 0.128 0.000 0.782 584 E CB 2.448 32.206 29.700 0.096 0.000 1.228 584 E HN 0.878 nan 8.360 nan 0.000 0.424 585 A N 3.223 126.119 122.820 0.128 0.000 2.513 585 A HA 0.571 4.891 4.320 -0.000 0.000 0.296 585 A C -1.600 176.053 177.584 0.115 0.000 1.052 585 A CA -0.786 51.323 52.037 0.119 0.000 0.714 585 A CB 1.310 20.387 19.000 0.129 0.000 1.279 585 A HN 0.514 nan 8.150 nan 0.000 0.397 586 K N 0.556 121.011 120.400 0.092 0.000 2.513 586 K HA 0.824 5.144 4.320 -0.000 0.000 0.251 586 K C -0.864 175.779 176.600 0.072 0.000 0.939 586 K CA -0.298 56.043 56.287 0.091 0.000 0.793 586 K CB 2.634 35.178 32.500 0.074 0.000 1.241 586 K HN 1.457 nan 8.250 nan 0.000 0.431 587 A N 1.185 124.056 122.820 0.085 0.000 2.594 587 A HA 0.728 5.048 4.320 -0.000 0.000 0.296 587 A C -1.658 175.968 177.584 0.070 0.000 1.061 587 A CA -0.782 51.293 52.037 0.063 0.000 0.689 587 A CB 1.380 20.419 19.000 0.064 0.000 1.280 587 A HN 0.698 nan 8.150 nan 0.000 0.406 588 A N 1.272 124.118 122.820 0.044 0.000 2.362 588 A HA 0.591 4.911 4.320 -0.000 0.000 0.276 588 A C 0.527 178.133 177.584 0.036 0.000 1.153 588 A CA -0.306 51.753 52.037 0.036 0.000 0.813 588 A CB -0.134 18.867 19.000 0.002 0.000 1.081 588 A HN 0.990 nan 8.150 nan 0.000 0.507 589 L N 1.852 123.101 121.223 0.043 0.000 2.554 589 L HA 0.147 4.487 4.340 -0.000 0.000 0.225 589 L C 0.678 177.571 176.870 0.038 0.000 1.104 589 L CA 0.960 55.827 54.840 0.045 0.000 0.866 589 L CB -0.196 41.895 42.059 0.053 0.000 1.047 589 L HN 0.954 nan 8.230 nan 0.000 0.468 590 S N -3.284 112.431 115.700 0.025 0.000 2.633 590 S HA 0.340 4.810 4.470 -0.000 0.000 0.271 590 S C 0.092 174.689 174.600 -0.005 0.000 1.112 590 S CA -0.212 58.000 58.200 0.020 0.000 0.828 590 S CB 1.257 64.486 63.200 0.048 0.000 1.086 590 S HN -0.055 nan 8.310 nan 0.000 0.461 591 A N 0.796 123.602 122.820 -0.024 0.000 2.248 591 A HA 0.249 4.569 4.320 -0.000 0.000 0.210 591 A C 1.601 179.215 177.584 0.049 0.000 1.174 591 A CA 1.376 53.377 52.037 -0.059 0.000 0.750 591 A CB -1.067 17.831 19.000 -0.170 0.000 0.780 591 A HN 1.487 nan 8.150 nan 0.000 0.478 592 S N -2.070 113.645 115.700 0.025 0.000 2.526 592 S HA 0.364 4.834 4.470 -0.000 0.000 0.220 592 S C 0.106 174.486 174.600 -0.368 0.000 1.017 592 S CA -0.123 58.002 58.200 -0.126 0.000 0.930 592 S CB 0.367 63.323 63.200 -0.408 0.000 0.856 592 S HN 0.079 nan 8.310 nan 0.000 0.497 593 V N 3.492 123.327 119.914 -0.133 0.000 2.407 593 V HA 0.504 4.624 4.120 -0.000 0.000 0.291 593 V C -1.234 174.882 176.094 0.037 0.000 1.018 593 V CA -0.742 61.546 62.300 -0.020 0.000 0.842 593 V CB 1.565 33.436 31.823 0.081 0.000 0.996 593 V HN 0.349 nan 8.190 nan 0.000 0.426 594 N N 3.195 121.944 118.700 0.081 0.000 2.269 594 N HA 0.763 5.503 4.740 -0.000 0.000 0.304 594 N C -0.919 174.688 175.510 0.161 0.000 1.072 594 N CA -0.315 52.825 53.050 0.151 0.000 0.802 594 N CB 2.875 41.528 38.487 0.277 0.000 1.348 594 N HN 0.562 nan 8.380 nan 0.000 0.484 595 V N -1.268 118.747 119.914 0.169 0.000 3.078 595 V HA 0.832 4.952 4.120 -0.000 0.000 0.311 595 V C -1.004 175.210 176.094 0.201 0.000 1.138 595 V CA -0.627 61.783 62.300 0.184 0.000 1.007 595 V CB 2.041 33.925 31.823 0.102 0.000 1.045 595 V HN 0.332 nan 8.190 nan 0.000 0.432 596 V N 2.178 122.226 119.914 0.223 0.000 2.969 596 V HA 1.016 5.136 4.120 -0.000 0.000 0.304 596 V C 0.186 176.398 176.094 0.196 0.000 1.192 596 V CA 0.689 63.095 62.300 0.176 0.000 0.962 596 V CB 1.941 33.848 31.823 0.140 0.000 1.045 596 V HN 1.842 nan 8.190 nan 0.000 0.428 597 G N 2.889 111.817 108.800 0.215 0.000 2.441 597 G HA2 0.778 4.737 3.960 -0.000 0.000 0.294 597 G HA3 0.778 4.737 3.960 -0.000 0.000 0.294 597 G C -1.031 174.010 174.900 0.237 0.000 1.393 597 G CA 0.228 45.498 45.100 0.283 0.000 0.796 597 G HN 1.635 nan 8.290 nan 0.000 0.494 598 S N -1.620 114.226 115.700 0.244 0.000 2.661 598 S HA 0.810 5.279 4.470 -0.000 0.000 0.268 598 S C -1.837 172.919 174.600 0.259 0.000 1.162 598 S CA -0.801 57.526 58.200 0.212 0.000 0.817 598 S CB 1.963 65.254 63.200 0.152 0.000 1.141 598 S HN 2.148 nan 8.310 nan 0.000 0.477 599 Y N 0.119 120.494 120.300 0.125 0.000 2.519 599 Y HA 0.648 5.198 4.550 -0.000 0.000 0.336 599 Y C -1.476 174.513 175.900 0.149 0.000 1.089 599 Y CA -0.152 58.032 58.100 0.139 0.000 1.025 599 Y CB 2.117 40.654 38.460 0.129 0.000 1.318 599 Y HN 0.982 nan 8.280 nan 0.000 0.452 600 T N 5.622 119.678 114.554 -0.830 0.000 2.886 600 T HA 0.346 4.696 4.350 -0.000 0.000 0.292 600 T C -2.222 172.130 174.700 -0.579 0.000 1.012 600 T CA -0.558 61.250 62.100 -0.487 0.000 0.982 600 T CB 1.275 70.014 68.868 -0.215 0.000 1.018 600 T HN 0.499 nan 8.240 nan 0.000 0.451 601 Y N 2.022 122.129 120.300 -0.321 0.000 2.338 601 Y HA 0.566 5.116 4.550 -0.000 0.000 0.333 601 Y C -0.850 174.973 175.900 -0.128 0.000 0.968 601 Y CA -0.581 57.415 58.100 -0.175 0.000 1.123 601 Y CB 1.422 39.929 38.460 0.078 0.000 1.165 601 Y HN 0.633 nan 8.280 nan 0.000 0.452 602 T N 5.294 119.469 114.554 -0.633 0.000 2.847 602 T HA 0.213 4.562 4.350 -0.000 0.000 0.291 602 T C -1.542 172.750 174.700 -0.680 0.000 0.998 602 T CA -0.669 61.127 62.100 -0.507 0.000 0.967 602 T CB 0.791 69.495 68.868 -0.275 0.000 0.954 602 T HN 0.635 nan 8.240 nan 0.000 0.441 603 D N 2.619 122.653 120.400 -0.610 0.000 2.454 603 D HA 0.518 5.157 4.640 -0.000 0.000 0.225 603 D C -0.409 175.731 176.300 -0.268 0.000 1.081 603 D CA -0.476 53.251 54.000 -0.455 0.000 0.864 603 D CB 0.502 41.086 40.800 -0.360 0.000 1.040 603 D HN 0.636 nan 8.370 nan 0.000 0.517 604 A N 3.730 126.397 122.820 -0.255 0.000 2.304 604 A HA 0.645 4.965 4.320 -0.000 0.000 0.323 604 A C -0.390 177.061 177.584 -0.222 0.000 1.195 604 A CA -0.776 51.116 52.037 -0.242 0.000 0.826 604 A CB 0.979 19.770 19.000 -0.348 0.000 1.184 604 A HN 0.638 nan 8.150 nan 0.000 0.496 605 E N 1.618 121.712 120.200 -0.176 0.000 2.263 605 E HA 0.453 4.803 4.350 -0.000 0.000 0.268 605 E C -1.838 174.716 176.600 -0.076 0.000 0.884 605 E CA -0.557 55.772 56.400 -0.119 0.000 0.766 605 E CB 1.000 30.672 29.700 -0.047 0.000 1.196 605 E HN 0.580 nan 8.360 nan 0.000 0.416 606 Y N 3.338 123.614 120.300 -0.041 0.000 2.650 606 Y HA 0.040 4.589 4.550 -0.000 0.000 0.342 606 Y C 1.421 177.330 175.900 0.016 0.000 1.110 606 Y CA 0.582 58.686 58.100 0.007 0.000 1.438 606 Y CB 1.042 39.523 38.460 0.036 0.000 1.181 606 Y HN 0.648 nan 8.280 nan 0.000 0.526 607 T N 1.334 115.991 114.554 0.171 0.000 2.852 607 T HA 0.007 4.356 4.350 -0.000 0.000 0.256 607 T C 0.303 175.065 174.700 0.103 0.000 1.038 607 T CA 1.207 63.374 62.100 0.113 0.000 1.141 607 T CB 0.136 69.060 68.868 0.092 0.000 0.869 607 T HN 0.472 nan 8.240 nan 0.000 0.439 608 T N 2.403 117.027 114.554 0.116 0.000 2.847 608 T HA 0.527 4.876 4.350 -0.000 0.000 0.291 608 T C -1.408 173.337 174.700 0.075 0.000 0.998 608 T CA -0.777 61.367 62.100 0.074 0.000 0.967 608 T CB 1.636 70.541 68.868 0.061 0.000 0.954 608 T HN 0.079 nan 8.240 nan 0.000 0.441 609 D N 1.874 122.282 120.400 0.012 0.000 2.795 609 D HA 0.133 4.772 4.640 -0.000 0.000 0.206 609 D C 0.888 177.096 176.300 -0.154 0.000 1.278 609 D CA -0.314 53.645 54.000 -0.068 0.000 0.839 609 D CB 2.184 42.912 40.800 -0.121 0.000 1.700 609 D HN 0.344 nan 8.370 nan 0.000 0.549 610 T N 1.830 116.287 114.554 -0.162 0.000 2.565 610 T HA -0.161 4.189 4.350 -0.000 0.000 0.265 610 T C 1.577 176.113 174.700 -0.273 0.000 1.082 610 T CA 2.081 64.078 62.100 -0.172 0.000 1.173 610 T CB -0.168 68.613 68.868 -0.145 0.000 0.864 610 T HN 0.461 nan 8.240 nan 0.000 0.425 611 T N -0.368 113.884 114.554 -0.503 0.000 3.065 611 T HA 0.121 4.470 4.350 -0.000 0.000 0.252 611 T C 0.388 174.546 174.700 -0.904 0.000 1.099 611 T CA 0.408 62.062 62.100 -0.743 0.000 1.063 611 T CB -0.032 68.217 68.868 -1.032 0.000 0.948 611 T HN 0.502 nan 8.240 nan 0.000 0.506 612 Y N 1.169 121.307 120.300 -0.269 0.000 2.767 612 Y HA 0.317 4.867 4.550 -0.000 0.000 0.254 612 Y C 0.542 176.321 175.900 -0.201 0.000 1.133 612 Y CA -1.887 56.017 58.100 -0.327 0.000 1.225 612 Y CB -0.237 37.791 38.460 -0.719 0.000 1.312 612 Y HN 0.081 nan 8.280 nan 0.000 0.560 613 K N 0.464 120.841 120.400 -0.039 0.000 2.559 613 K HA 0.226 4.545 4.320 -0.000 0.000 0.279 613 K C 1.274 177.910 176.600 0.061 0.000 0.967 613 K CA 1.190 57.506 56.287 0.048 0.000 1.000 613 K CB 0.235 32.752 32.500 0.028 0.000 0.890 613 K HN 0.457 nan 8.250 nan 0.000 0.501 614 G N 1.377 110.229 108.800 0.087 0.000 2.320 614 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 614 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 614 G C -0.108 174.802 174.900 0.017 0.000 1.033 614 G CA 0.294 45.420 45.100 0.043 0.000 0.620 614 G HN 0.717 nan 8.290 nan 0.000 0.517 615 N N 1.541 120.278 118.700 0.062 0.000 2.444 615 N HA 0.503 5.243 4.740 -0.000 0.000 0.255 615 N C 0.647 176.132 175.510 -0.042 0.000 1.255 615 N CA 0.879 53.906 53.050 -0.039 0.000 0.933 615 N CB 0.938 39.449 38.487 0.040 0.000 1.143 615 N HN 0.671 nan 8.380 nan 0.000 0.453 616 T N -1.712 112.657 114.554 -0.307 0.000 2.902 616 T HA 0.516 4.865 4.350 -0.000 0.000 0.283 616 T C -2.658 171.875 174.700 -0.278 0.000 1.009 616 T CA -1.922 60.011 62.100 -0.278 0.000 1.051 616 T CB 1.594 70.334 68.868 -0.214 0.000 0.999 616 T HN 0.199 nan 8.240 nan 0.000 0.474 617 P HA 0.306 nan 4.420 nan 0.000 0.272 617 P C -0.009 177.178 177.300 -0.189 0.000 1.223 617 P CA -0.368 62.533 63.100 -0.332 0.000 0.784 617 P CB 0.199 31.591 31.700 -0.513 0.000 0.923 618 A N 2.504 125.242 122.820 -0.137 0.000 2.492 618 A HA -0.017 4.303 4.320 -0.000 0.000 0.236 618 A C 0.937 178.458 177.584 -0.105 0.000 1.078 618 A CA 0.370 52.342 52.037 -0.107 0.000 0.773 618 A CB -0.759 18.175 19.000 -0.111 0.000 1.023 618 A HN 0.712 nan 8.150 nan 0.000 0.504 619 Q N -2.526 117.213 119.800 -0.102 0.000 2.305 619 Q HA -0.195 4.144 4.340 -0.000 0.000 0.203 619 Q C 0.015 175.945 176.000 -0.116 0.000 0.663 619 Q CA 1.081 56.834 55.803 -0.082 0.000 1.389 619 Q CB -2.261 26.469 28.738 -0.014 0.000 1.566 619 Q HN 1.418 nan 8.270 nan 0.000 0.755 620 V N 0.820 120.647 119.914 -0.146 0.000 2.350 620 V HA 0.532 4.652 4.120 -0.000 0.000 0.285 620 V C -2.173 173.809 176.094 -0.186 0.000 1.014 620 V CA -1.999 60.193 62.300 -0.180 0.000 0.831 620 V CB 1.414 33.100 31.823 -0.228 0.000 1.000 620 V HN 0.004 nan 8.190 nan 0.000 0.433 621 P HA 0.199 nan 4.420 nan 0.000 0.272 621 P C -0.022 177.120 177.300 -0.262 0.000 1.223 621 P CA -0.190 62.768 63.100 -0.236 0.000 0.784 621 P CB 1.496 33.030 31.700 -0.276 0.000 0.923 622 K N 0.276 120.507 120.400 -0.282 0.000 2.186 622 K HA -0.007 4.313 4.320 -0.000 0.000 0.202 622 K C 0.526 176.772 176.600 -0.590 0.000 1.052 622 K CA 0.750 56.746 56.287 -0.485 0.000 0.965 622 K CB 0.144 32.357 32.500 -0.478 0.000 0.746 622 K HN 0.568 nan 8.250 nan 0.000 0.457 623 H N -0.201 118.851 119.070 -0.031 0.000 2.589 623 H HA 0.373 4.928 4.556 -0.000 0.000 0.351 623 H C -0.640 174.655 175.328 -0.054 0.000 1.074 623 H CA -0.421 55.661 56.048 0.057 0.000 1.203 623 H CB 1.477 31.430 29.762 0.319 0.000 1.558 623 H HN 0.011 nan 8.280 nan 0.000 0.522 624 M N 1.515 121.103 119.600 -0.019 0.000 2.569 624 M HA 0.763 5.242 4.480 -0.000 0.000 0.279 624 M C -0.922 175.416 176.300 0.064 0.000 1.253 624 M CA -0.955 54.321 55.300 -0.039 0.000 0.867 624 M CB 3.194 35.697 32.600 -0.163 0.000 1.727 624 M HN 0.629 nan 8.290 nan 0.000 0.467 625 A N 0.972 123.916 122.820 0.207 0.000 2.601 625 A HA 0.956 5.276 4.320 -0.000 0.000 0.291 625 A C -1.346 176.365 177.584 0.212 0.000 1.075 625 A CA -0.444 51.741 52.037 0.246 0.000 0.671 625 A CB 1.720 20.977 19.000 0.429 0.000 1.277 625 A HN 1.093 nan 8.150 nan 0.000 0.417 626 S N -0.552 115.274 115.700 0.211 0.000 2.547 626 S HA 0.802 5.272 4.470 -0.000 0.000 0.270 626 S C -1.462 173.352 174.600 0.357 0.000 1.150 626 S CA -0.531 57.803 58.200 0.223 0.000 0.850 626 S CB 1.306 64.511 63.200 0.008 0.000 1.118 626 S HN 2.205 nan 8.310 nan 0.000 0.461 627 L N 1.372 122.869 121.223 0.458 0.000 2.565 627 L HA 0.826 5.166 4.340 -0.000 0.000 0.261 627 L C -2.280 174.853 176.870 0.439 0.000 0.932 627 L CA -0.053 55.029 54.840 0.403 0.000 0.878 627 L CB 1.825 44.027 42.059 0.239 0.000 1.333 627 L HN 0.990 nan 8.230 nan 0.000 0.409 628 W N 4.917 126.219 121.300 0.003 0.000 2.915 628 W HA 0.847 5.507 4.660 -0.000 0.000 0.337 628 W C -1.308 175.162 176.519 -0.082 0.000 1.102 628 W CA -0.316 56.933 57.345 -0.161 0.000 1.224 628 W CB 2.224 31.282 29.460 -0.670 0.000 1.416 628 W HN 0.759 nan 8.180 nan 0.000 0.503 629 A N 4.713 127.007 122.820 -0.877 0.000 2.455 629 A HA 0.606 4.926 4.320 -0.000 0.000 0.300 629 A C -1.564 175.210 177.584 -1.350 0.000 1.040 629 A CA -0.654 50.908 52.037 -0.792 0.000 0.697 629 A CB 1.327 20.109 19.000 -0.362 0.000 1.265 629 A HN 0.549 nan 8.150 nan 0.000 0.407 630 D N 0.584 120.465 120.400 -0.867 0.000 2.619 630 D HA 0.495 5.134 4.640 -0.000 0.000 0.241 630 D C -1.492 174.732 176.300 -0.127 0.000 1.087 630 D CA -0.298 53.376 54.000 -0.543 0.000 0.851 630 D CB 1.818 42.553 40.800 -0.109 0.000 1.474 630 D HN 0.402 nan 8.370 nan 0.000 0.478 631 Y N 0.621 120.782 120.300 -0.232 0.000 2.361 631 Y HA 0.414 4.964 4.550 -0.000 0.000 0.337 631 Y C -1.026 174.705 175.900 -0.283 0.000 0.965 631 Y CA -0.272 57.676 58.100 -0.252 0.000 1.091 631 Y CB 2.082 40.320 38.460 -0.370 0.000 1.182 631 Y HN 0.369 nan 8.280 nan 0.000 0.450 632 T N 6.249 120.372 114.554 -0.717 0.000 2.856 632 T HA 0.437 4.786 4.350 -0.000 0.000 0.283 632 T C -1.261 172.864 174.700 -0.958 0.000 1.008 632 T CA -0.471 61.250 62.100 -0.632 0.000 0.997 632 T CB 0.858 69.425 68.868 -0.501 0.000 0.992 632 T HN 0.331 nan 8.240 nan 0.000 0.454 633 F N 2.637 122.219 119.950 -0.613 0.000 2.361 633 F HA 0.450 4.977 4.527 -0.000 0.000 0.364 633 F C 0.163 175.647 175.800 -0.527 0.000 1.120 633 F CA -1.891 55.870 58.000 -0.398 0.000 1.102 633 F CB 0.403 39.366 39.000 -0.062 0.000 1.183 633 F HN 0.591 nan 8.300 nan 0.000 0.476 634 F N 0.160 120.243 119.950 0.223 0.000 2.695 634 F HA 0.214 4.741 4.527 -0.000 0.000 0.303 634 F C 0.537 176.391 175.800 0.089 0.000 1.091 634 F CA -0.371 57.699 58.000 0.117 0.000 1.300 634 F CB -0.021 39.007 39.000 0.047 0.000 1.071 634 F HN 0.209 nan 8.300 nan 0.000 0.578 635 D N -0.526 120.009 120.400 0.225 0.000 2.467 635 D HA 0.527 5.167 4.640 -0.000 0.000 0.245 635 D C 0.783 177.081 176.300 -0.003 0.000 1.038 635 D CA 0.127 54.196 54.000 0.114 0.000 1.038 635 D CB 1.354 42.226 40.800 0.119 0.000 1.278 635 D HN 0.149 nan 8.370 nan 0.000 0.564 636 G N 0.718 109.509 108.800 -0.015 0.000 2.601 636 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.261 636 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.261 636 G C -2.130 172.737 174.900 -0.054 0.000 1.289 636 G CA -0.185 44.876 45.100 -0.065 0.000 0.920 636 G HN 0.518 nan 8.290 nan 0.000 0.571 637 P HA 0.362 nan 4.420 nan 0.000 0.268 637 P C 0.807 178.064 177.300 -0.072 0.000 1.329 637 P CA 0.197 63.265 63.100 -0.053 0.000 0.899 637 P CB 0.255 31.922 31.700 -0.055 0.000 1.378 638 L N -0.882 120.253 121.223 -0.147 0.000 3.108 638 L HA 0.288 4.628 4.340 -0.000 0.000 0.251 638 L C 0.432 177.292 176.870 -0.016 0.000 1.315 638 L CA -0.155 54.598 54.840 -0.145 0.000 1.048 638 L CB 0.307 42.126 42.059 -0.400 0.000 1.432 638 L HN -0.153 nan 8.230 nan 0.000 0.543 639 S N 0.349 116.091 115.700 0.071 0.000 2.513 639 S HA 0.491 4.961 4.470 -0.000 0.000 0.276 639 S C 1.083 175.810 174.600 0.211 0.000 1.254 639 S CA 0.541 58.818 58.200 0.128 0.000 1.053 639 S CB 0.898 64.173 63.200 0.125 0.000 0.958 639 S HN 0.724 nan 8.310 nan 0.000 0.491 640 G N 3.132 112.001 108.800 0.115 0.000 2.137 640 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.237 640 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.237 640 G C -0.356 174.684 174.900 0.234 0.000 1.002 640 G CA 0.353 45.511 45.100 0.096 0.000 0.702 640 G HN 0.901 nan 8.290 nan 0.000 0.515 641 L N 1.217 122.596 121.223 0.260 0.000 2.325 641 L HA 0.838 5.178 4.340 -0.000 0.000 0.281 641 L C -0.067 176.913 176.870 0.184 0.000 1.004 641 L CA -0.327 54.697 54.840 0.307 0.000 0.823 641 L CB 1.925 44.166 42.059 0.303 0.000 1.236 641 L HN 0.050 nan 8.230 nan 0.000 0.415 642 T N 6.050 120.685 114.554 0.135 0.000 2.823 642 T HA 0.671 5.021 4.350 -0.000 0.000 0.279 642 T C -0.545 174.167 174.700 0.020 0.000 0.998 642 T CA -0.307 61.834 62.100 0.068 0.000 0.994 642 T CB 1.214 70.168 68.868 0.143 0.000 0.960 642 T HN 0.447 nan 8.240 nan 0.000 0.448 643 L N 1.987 123.195 121.223 -0.024 0.000 2.381 643 L HA 0.869 5.209 4.340 -0.000 0.000 0.268 643 L C 0.380 177.166 176.870 -0.140 0.000 0.997 643 L CA -0.636 54.166 54.840 -0.064 0.000 0.818 643 L CB 2.280 44.305 42.059 -0.056 0.000 1.310 643 L HN 0.838 nan 8.230 nan 0.000 0.416 644 G N -0.204 108.488 108.800 -0.179 0.000 2.718 644 G HA2 0.643 4.602 3.960 -0.000 0.000 0.295 644 G HA3 0.643 4.602 3.960 -0.000 0.000 0.295 644 G C -1.695 173.030 174.900 -0.291 0.000 1.421 644 G CA -0.351 44.520 45.100 -0.381 0.000 0.902 644 G HN 0.459 nan 8.290 nan 0.000 0.501 645 T N -1.354 112.881 114.554 -0.532 0.000 2.840 645 T HA 0.790 5.140 4.350 -0.000 0.000 0.317 645 T C -0.384 174.132 174.700 -0.308 0.000 1.401 645 T CA 0.414 62.372 62.100 -0.238 0.000 1.028 645 T CB 1.614 70.379 68.868 -0.172 0.000 1.317 645 T HN 1.789 nan 8.240 nan 0.000 0.495 646 G N -0.043 108.820 108.800 0.105 0.000 2.684 646 G HA2 0.700 4.660 3.960 -0.000 0.000 0.290 646 G HA3 0.700 4.660 3.960 -0.000 0.000 0.290 646 G C -0.812 174.268 174.900 0.300 0.000 1.425 646 G CA -0.231 45.067 45.100 0.330 0.000 0.822 646 G HN 0.966 nan 8.290 nan 0.000 0.482 647 G N -0.117 108.888 108.800 0.342 0.000 2.687 647 G HA2 0.618 4.578 3.960 -0.000 0.000 0.301 647 G HA3 0.618 4.578 3.960 -0.000 0.000 0.301 647 G C -0.941 174.106 174.900 0.245 0.000 1.416 647 G CA -0.687 44.556 45.100 0.240 0.000 1.005 647 G HN 0.485 nan 8.290 nan 0.000 0.509 648 R N 1.350 121.946 120.500 0.160 0.000 2.360 648 R HA 0.237 4.577 4.340 -0.000 0.000 0.318 648 R C -1.618 174.773 176.300 0.152 0.000 0.950 648 R CA -0.810 55.347 56.100 0.094 0.000 0.837 648 R CB 2.094 32.380 30.300 -0.022 0.000 1.165 648 R HN 0.584 nan 8.270 nan 0.000 0.458 649 Y N 2.201 122.524 120.300 0.038 0.000 2.341 649 Y HA 0.263 4.813 4.550 -0.000 0.000 0.340 649 Y C -0.669 175.195 175.900 -0.060 0.000 0.997 649 Y CA -0.241 57.870 58.100 0.017 0.000 1.149 649 Y CB 1.569 40.058 38.460 0.047 0.000 1.171 649 Y HN 0.378 nan 8.280 nan 0.000 0.494 650 T N 6.241 120.274 114.554 -0.869 0.000 2.809 650 T HA 0.458 4.807 4.350 -0.000 0.000 0.296 650 T C 0.445 174.344 174.700 -1.334 0.000 1.015 650 T CA -0.410 61.063 62.100 -1.045 0.000 0.954 650 T CB 0.755 68.900 68.868 -1.205 0.000 0.950 650 T HN 0.985 nan 8.240 nan 0.000 0.450 651 G N 2.404 110.584 108.800 -1.033 0.000 2.712 651 G HA2 0.365 4.325 3.960 -0.000 0.000 0.258 651 G HA3 0.365 4.325 3.960 -0.000 0.000 0.258 651 G C 0.499 175.154 174.900 -0.409 0.000 1.241 651 G CA -0.553 44.210 45.100 -0.562 0.000 0.923 651 G HN 0.814 nan 8.290 nan 0.000 0.548 652 S N -1.326 114.243 115.700 -0.217 0.000 2.614 652 S HA 0.621 5.090 4.470 -0.000 0.000 0.265 652 S C 0.233 174.656 174.600 -0.295 0.000 1.303 652 S CA 0.343 58.402 58.200 -0.235 0.000 1.000 652 S CB 1.278 64.372 63.200 -0.176 0.000 0.935 652 S HN 1.778 nan 8.310 nan 0.000 0.551 653 S N 0.384 115.872 115.700 -0.354 0.000 2.596 653 S HA 0.550 5.020 4.470 -0.000 0.000 0.270 653 S C -1.536 172.751 174.600 -0.521 0.000 1.155 653 S CA -0.998 56.974 58.200 -0.380 0.000 0.827 653 S CB 0.102 63.156 63.200 -0.245 0.000 1.130 653 S HN 0.689 nan 8.310 nan 0.000 0.467 654 Y N 0.513 120.646 120.300 -0.279 0.000 2.304 654 Y HA 0.534 5.084 4.550 -0.000 0.000 0.327 654 Y C 1.632 177.229 175.900 -0.505 0.000 1.209 654 Y CA 0.445 58.321 58.100 -0.373 0.000 1.299 654 Y CB 1.035 39.331 38.460 -0.274 0.000 1.249 654 Y HN 0.994 nan 8.280 nan 0.000 0.519 655 G N 1.361 109.697 108.800 -0.773 0.000 3.605 655 G HA2 0.315 4.275 3.960 -0.000 0.000 0.277 655 G HA3 0.315 4.275 3.960 -0.000 0.000 0.277 655 G C -1.111 173.493 174.900 -0.494 0.000 1.093 655 G CA 0.006 44.594 45.100 -0.854 0.000 0.821 655 G HN 0.705 nan 8.290 nan 0.000 0.532 656 D N -2.866 117.357 120.400 -0.294 0.000 2.766 656 D HA 0.120 4.759 4.640 -0.000 0.000 0.244 656 D C -2.740 173.441 176.300 -0.199 0.000 1.198 656 D CA -1.245 52.649 54.000 -0.177 0.000 0.739 656 D CB 0.814 41.599 40.800 -0.024 0.000 1.379 656 D HN -0.115 nan 8.370 nan 0.000 0.437 657 P HA -0.016 nan 4.420 nan 0.000 0.218 657 P C 1.335 178.214 177.300 -0.702 0.000 1.148 657 P CA 2.371 65.098 63.100 -0.622 0.000 0.822 657 P CB 0.054 31.131 31.700 -1.039 0.000 0.784 658 A N -0.427 122.200 122.820 -0.321 0.000 2.070 658 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 658 A C 0.929 178.496 177.584 -0.029 0.000 1.159 658 A CA 1.193 53.232 52.037 0.003 0.000 0.656 658 A CB -1.589 17.469 19.000 0.097 0.000 0.800 658 A HN 0.292 nan 8.150 nan 0.000 0.453 659 N N -1.193 117.457 118.700 -0.083 0.000 2.754 659 N HA -0.194 4.546 4.740 -0.000 0.000 0.248 659 N C 0.841 176.425 175.510 0.124 0.000 1.093 659 N CA 0.457 53.486 53.050 -0.037 0.000 0.699 659 N CB -1.195 37.087 38.487 -0.342 0.000 1.016 659 N HN 0.737 nan 8.380 nan 0.000 0.552 660 S N -0.393 115.408 115.700 0.168 0.000 2.561 660 S HA 0.084 4.554 4.470 -0.000 0.000 0.225 660 S C 0.278 175.084 174.600 0.344 0.000 0.977 660 S CA 0.513 58.840 58.200 0.212 0.000 0.926 660 S CB -0.164 63.134 63.200 0.163 0.000 0.769 660 S HN 0.476 nan 8.310 nan 0.000 0.533 661 F N -1.260 118.711 119.950 0.035 0.000 2.831 661 F HA 0.803 5.329 4.527 -0.000 0.000 0.318 661 F C -1.501 174.275 175.800 -0.040 0.000 1.174 661 F CA -1.658 56.337 58.000 -0.009 0.000 0.918 661 F CB 0.898 39.862 39.000 -0.060 0.000 1.364 661 F HN -0.240 nan 8.300 nan 0.000 0.475 662 K N 1.227 121.512 120.400 -0.191 0.000 2.464 662 K HA 0.694 5.013 4.320 -0.000 0.000 0.253 662 K C -1.903 174.529 176.600 -0.280 0.000 0.933 662 K CA -1.129 54.908 56.287 -0.417 0.000 0.801 662 K CB 3.116 35.380 32.500 -0.392 0.000 1.271 662 K HN 0.530 nan 8.250 nan 0.000 0.430 663 V N 1.702 121.411 119.914 -0.341 0.000 2.427 663 V HA 0.364 4.484 4.120 -0.000 0.000 0.286 663 V C 0.586 176.605 176.094 -0.125 0.000 1.034 663 V CA -0.529 61.671 62.300 -0.166 0.000 0.893 663 V CB 1.545 33.268 31.823 -0.166 0.000 0.982 663 V HN 0.932 nan 8.190 nan 0.000 0.452 664 G N 3.043 111.835 108.800 -0.014 0.000 2.539 664 G HA2 0.401 4.361 3.960 -0.000 0.000 0.258 664 G HA3 0.401 4.361 3.960 -0.000 0.000 0.258 664 G C 0.405 175.298 174.900 -0.011 0.000 1.202 664 G CA 0.149 45.250 45.100 0.001 0.000 0.851 664 G HN 0.962 nan 8.290 nan 0.000 0.556 665 S N -0.378 115.284 115.700 -0.064 0.000 2.572 665 S HA 0.472 4.942 4.470 -0.000 0.000 0.267 665 S C -0.403 174.200 174.600 0.004 0.000 1.361 665 S CA 0.375 58.471 58.200 -0.174 0.000 1.009 665 S CB 0.281 63.496 63.200 0.025 0.000 0.888 665 S HN 1.369 nan 8.310 nan 0.000 0.553 666 Y N -2.899 117.349 120.300 -0.086 0.000 2.641 666 Y HA 0.688 5.238 4.550 -0.000 0.000 0.333 666 Y C -0.963 174.892 175.900 -0.075 0.000 1.174 666 Y CA -1.163 56.886 58.100 -0.085 0.000 1.057 666 Y CB 0.842 39.161 38.460 -0.234 0.000 1.322 666 Y HN 0.633 nan 8.280 nan 0.000 0.457 667 T N 2.144 116.826 114.554 0.213 0.000 3.011 667 T HA 0.583 4.933 4.350 -0.000 0.000 0.303 667 T C -1.439 173.310 174.700 0.082 0.000 0.997 667 T CA -0.609 61.612 62.100 0.202 0.000 1.007 667 T CB 1.490 70.523 68.868 0.275 0.000 1.017 667 T HN 0.648 nan 8.240 nan 0.000 0.443 668 V N 3.547 123.480 119.914 0.031 0.000 2.667 668 V HA 0.693 4.812 4.120 -0.000 0.000 0.308 668 V C -0.368 175.742 176.094 0.027 0.000 1.048 668 V CA -0.653 61.631 62.300 -0.027 0.000 0.928 668 V CB 2.179 33.939 31.823 -0.106 0.000 1.004 668 V HN 0.671 nan 8.190 nan 0.000 0.444 669 V N 3.456 123.347 119.914 -0.039 0.000 2.540 669 V HA 0.565 4.684 4.120 -0.000 0.000 0.302 669 V C -0.861 175.179 176.094 -0.090 0.000 1.035 669 V CA -0.574 61.671 62.300 -0.092 0.000 0.873 669 V CB 2.019 33.634 31.823 -0.346 0.000 0.992 669 V HN 0.889 nan 8.190 nan 0.000 0.428 670 D N 2.902 123.322 120.400 0.034 0.000 2.527 670 D HA 0.869 5.509 4.640 -0.000 0.000 0.233 670 D C -0.449 175.923 176.300 0.120 0.000 1.063 670 D CA -0.130 53.927 54.000 0.094 0.000 0.880 670 D CB 2.639 43.564 40.800 0.209 0.000 1.457 670 D HN 0.777 nan 8.370 nan 0.000 0.475 671 A N 0.690 123.572 122.820 0.103 0.000 2.612 671 A HA 0.719 5.038 4.320 -0.000 0.000 0.293 671 A C -1.778 175.846 177.584 0.067 0.000 1.075 671 A CA -0.676 51.408 52.037 0.079 0.000 0.680 671 A CB 1.326 20.315 19.000 -0.019 0.000 1.279 671 A HN 0.458 nan 8.150 nan 0.000 0.411 672 L N -1.237 119.992 121.223 0.009 0.000 2.479 672 L HA 0.988 5.328 4.340 -0.000 0.000 0.255 672 L C -0.792 176.000 176.870 -0.129 0.000 1.026 672 L CA -0.983 53.784 54.840 -0.121 0.000 0.842 672 L CB 1.857 43.761 42.059 -0.259 0.000 1.444 672 L HN 1.480 nan 8.230 nan 0.000 0.409 673 V N -1.010 118.803 119.914 -0.169 0.000 2.668 673 V HA 0.783 4.903 4.120 -0.000 0.000 0.304 673 V C -0.829 175.200 176.094 -0.107 0.000 1.071 673 V CA -0.519 61.725 62.300 -0.093 0.000 0.894 673 V CB 1.515 33.309 31.823 -0.047 0.000 1.008 673 V HN 1.147 nan 8.190 nan 0.000 0.425 674 R N 3.623 124.098 120.500 -0.043 0.000 2.621 674 R HA 0.581 4.921 4.340 -0.000 0.000 0.292 674 R C -2.321 174.077 176.300 0.163 0.000 0.969 674 R CA -0.730 55.371 56.100 0.002 0.000 0.887 674 R CB 2.350 32.607 30.300 -0.071 0.000 1.180 674 R HN 0.900 nan 8.270 nan 0.000 0.450 675 Y N 3.391 123.703 120.300 0.020 0.000 2.338 675 Y HA 0.167 4.717 4.550 -0.000 0.000 0.328 675 Y C -0.504 175.445 175.900 0.082 0.000 0.965 675 Y CA -1.614 56.519 58.100 0.055 0.000 1.208 675 Y CB 1.262 39.753 38.460 0.053 0.000 1.132 675 Y HN 0.630 nan 8.280 nan 0.000 0.469 676 D N 6.336 126.580 120.400 -0.259 0.000 2.619 676 D HA -0.079 4.561 4.640 -0.000 0.000 0.238 676 D C 1.413 177.427 176.300 -0.476 0.000 1.158 676 D CA 0.421 54.264 54.000 -0.261 0.000 1.251 676 D CB -0.058 40.679 40.800 -0.104 0.000 1.134 676 D HN 0.734 nan 8.370 nan 0.000 0.487 677 L N 2.781 123.780 121.223 -0.373 0.000 2.274 677 L HA -0.389 3.951 4.340 -0.000 0.000 0.220 677 L C 2.295 179.091 176.870 -0.123 0.000 1.088 677 L CA 2.039 56.759 54.840 -0.201 0.000 0.801 677 L CB -1.265 40.834 42.059 0.067 0.000 0.891 677 L HN 0.445 nan 8.230 nan 0.000 0.444 678 A N -0.077 122.695 122.820 -0.080 0.000 1.883 678 A HA -0.401 3.919 4.320 -0.000 0.000 0.232 678 A C 2.014 179.594 177.584 -0.006 0.000 1.671 678 A CA 2.861 54.890 52.037 -0.014 0.000 0.748 678 A CB -0.947 18.049 19.000 -0.006 0.000 0.850 678 A HN 0.608 nan 8.150 nan 0.000 0.488 679 R N -0.964 119.516 120.500 -0.033 0.000 2.484 679 R HA 0.013 4.352 4.340 -0.000 0.000 0.217 679 R C 0.026 176.360 176.300 0.056 0.000 1.166 679 R CA 0.839 56.952 56.100 0.023 0.000 1.126 679 R CB -0.664 29.665 30.300 0.048 0.000 0.801 679 R HN 0.370 nan 8.270 nan 0.000 0.491 680 V N -1.088 118.855 119.914 0.050 0.000 3.172 680 V HA 0.286 4.405 4.120 -0.000 0.000 0.343 680 V C 1.139 177.264 176.094 0.052 0.000 1.429 680 V CA 0.338 62.679 62.300 0.068 0.000 1.149 680 V CB 0.763 32.643 31.823 0.095 0.000 1.106 680 V HN 0.579 nan 8.190 nan 0.000 0.526 681 G N 1.049 109.876 108.800 0.044 0.000 3.206 681 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.217 681 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.217 681 G C 0.503 175.433 174.900 0.051 0.000 1.350 681 G CA 0.132 45.256 45.100 0.040 0.000 0.836 681 G HN 0.395 nan 8.290 nan 0.000 0.548 682 M N 2.902 122.540 119.600 0.063 0.000 3.353 682 M HA 0.379 4.859 4.480 -0.000 0.000 0.233 682 M C 0.961 177.323 176.300 0.103 0.000 1.712 682 M CA 0.555 55.914 55.300 0.098 0.000 1.722 682 M CB -0.391 32.286 32.600 0.130 0.000 1.419 682 M HN 0.671 nan 8.290 nan 0.000 0.508 683 A N 1.297 124.170 122.820 0.089 0.000 2.316 683 A HA 0.663 4.983 4.320 -0.000 0.000 0.284 683 A C 1.285 178.935 177.584 0.109 0.000 1.115 683 A CA 0.222 52.307 52.037 0.080 0.000 0.812 683 A CB 0.493 19.531 19.000 0.063 0.000 1.064 683 A HN 1.025 nan 8.150 nan 0.000 0.489 684 G N 0.625 109.485 108.800 0.100 0.000 2.199 684 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 684 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 684 G C 0.519 175.502 174.900 0.137 0.000 0.982 684 G CA 0.522 45.691 45.100 0.114 0.000 0.632 684 G HN 1.151 nan 8.290 nan 0.000 0.529 685 S N 1.112 116.909 115.700 0.161 0.000 2.687 685 S HA 0.761 5.231 4.470 -0.000 0.000 0.283 685 S C 0.055 174.729 174.600 0.124 0.000 1.170 685 S CA -0.023 58.302 58.200 0.209 0.000 1.008 685 S CB 1.630 65.066 63.200 0.393 0.000 1.026 685 S HN 1.072 nan 8.310 nan 0.000 0.541 686 N N -1.103 117.648 118.700 0.086 0.000 3.127 686 N HA 0.368 5.108 4.740 -0.000 0.000 0.239 686 N C -2.206 173.310 175.510 0.010 0.000 1.407 686 N CA -0.551 52.523 53.050 0.040 0.000 0.891 686 N CB 1.088 39.599 38.487 0.040 0.000 1.447 686 N HN 0.371 nan 8.380 nan 0.000 0.507 687 V N -0.272 119.675 119.914 0.056 0.000 2.735 687 V HA 0.908 5.028 4.120 -0.000 0.000 0.310 687 V C -0.486 175.638 176.094 0.052 0.000 1.061 687 V CA -0.417 61.917 62.300 0.057 0.000 0.913 687 V CB 1.269 33.177 31.823 0.142 0.000 1.005 687 V HN 1.102 nan 8.190 nan 0.000 0.428 688 A N 4.024 126.852 122.820 0.014 0.000 2.556 688 A HA 0.939 5.259 4.320 -0.000 0.000 0.294 688 A C -1.914 175.638 177.584 -0.054 0.000 1.091 688 A CA -0.561 51.443 52.037 -0.054 0.000 0.704 688 A CB 1.880 20.797 19.000 -0.137 0.000 1.300 688 A HN 0.852 nan 8.150 nan 0.000 0.406 689 L N 1.958 123.089 121.223 -0.153 0.000 2.376 689 L HA 0.598 4.938 4.340 -0.000 0.000 0.275 689 L C -1.145 175.615 176.870 -0.183 0.000 0.987 689 L CA 0.017 54.807 54.840 -0.082 0.000 0.828 689 L CB 1.325 43.358 42.059 -0.043 0.000 1.249 689 L HN 0.774 nan 8.230 nan 0.000 0.409 690 H N 4.426 123.486 119.070 -0.016 0.000 2.538 690 H HA 0.669 5.225 4.556 -0.000 0.000 0.353 690 H C -1.214 174.107 175.328 -0.011 0.000 1.109 690 H CA -0.804 55.238 56.048 -0.010 0.000 1.192 690 H CB 2.368 32.121 29.762 -0.015 0.000 1.555 690 H HN 0.349 nan 8.280 nan 0.000 0.518 691 V N 3.897 123.883 119.914 0.121 0.000 2.483 691 V HA 0.182 4.301 4.120 -0.000 0.000 0.297 691 V C -0.232 175.893 176.094 0.052 0.000 1.027 691 V CA -0.961 61.372 62.300 0.056 0.000 0.855 691 V CB 1.689 33.520 31.823 0.013 0.000 0.995 691 V HN 0.719 nan 8.190 nan 0.000 0.424 692 N N 3.690 122.412 118.700 0.036 0.000 2.361 692 N HA 0.346 5.086 4.740 -0.000 0.000 0.302 692 N C 0.013 175.531 175.510 0.014 0.000 1.074 692 N CA -0.478 52.591 53.050 0.033 0.000 0.850 692 N CB 1.428 39.933 38.487 0.029 0.000 1.228 692 N HN 0.801 nan 8.380 nan 0.000 0.491 693 N N 1.195 119.896 118.700 0.003 0.000 2.681 693 N HA -0.183 4.557 4.740 -0.000 0.000 0.259 693 N C 0.538 176.033 175.510 -0.025 0.000 1.066 693 N CA 0.010 53.059 53.050 -0.001 0.000 0.717 693 N CB -0.896 37.627 38.487 0.061 0.000 0.885 693 N HN 0.609 nan 8.380 nan 0.000 0.547 694 L N 1.049 122.193 121.223 -0.132 0.000 2.021 694 L HA -0.035 4.305 4.340 -0.000 0.000 0.215 694 L C 1.398 178.228 176.870 -0.066 0.000 1.074 694 L CA 2.090 56.815 54.840 -0.191 0.000 0.760 694 L CB -0.637 41.153 42.059 -0.449 0.000 0.889 694 L HN 0.416 nan 8.230 nan 0.000 0.433 695 F N 0.389 120.358 119.950 0.032 0.000 2.695 695 F HA 0.144 4.671 4.527 -0.000 0.000 0.301 695 F C 1.127 176.943 175.800 0.027 0.000 1.182 695 F CA -0.427 57.589 58.000 0.026 0.000 1.412 695 F CB -1.725 37.291 39.000 0.026 0.000 1.056 695 F HN 0.173 nan 8.300 nan 0.000 0.522 696 D N 1.796 122.294 120.400 0.163 0.000 2.764 696 D HA -0.293 4.346 4.640 -0.000 0.000 0.225 696 D C 0.891 177.261 176.300 0.118 0.000 1.190 696 D CA 0.401 54.465 54.000 0.107 0.000 0.612 696 D CB -0.492 40.350 40.800 0.070 0.000 1.024 696 D HN 0.432 nan 8.370 nan 0.000 0.411 697 R N 0.450 121.045 120.500 0.158 0.000 2.756 697 R HA 0.096 4.436 4.340 -0.000 0.000 0.264 697 R C 0.042 176.456 176.300 0.189 0.000 1.026 697 R CA 0.263 56.459 56.100 0.160 0.000 1.121 697 R CB 0.536 30.922 30.300 0.144 0.000 0.999 697 R HN 0.137 nan 8.270 nan 0.000 0.449 698 E N 3.213 123.509 120.200 0.161 0.000 2.092 698 E HA 0.183 4.533 4.350 -0.000 0.000 0.271 698 E C -1.522 175.262 176.600 0.307 0.000 0.919 698 E CA -0.568 55.885 56.400 0.087 0.000 0.760 698 E CB 0.987 30.643 29.700 -0.073 0.000 1.106 698 E HN 0.473 nan 8.360 nan 0.000 0.408 699 Y N -0.533 119.840 120.300 0.123 0.000 2.644 699 Y HA 0.624 5.174 4.550 -0.000 0.000 0.338 699 Y C -1.132 174.974 175.900 0.344 0.000 1.119 699 Y CA -1.418 56.795 58.100 0.188 0.000 1.060 699 Y CB 0.567 38.983 38.460 -0.072 0.000 1.294 699 Y HN 0.035 nan 8.280 nan 0.000 0.472 700 V N 2.591 122.664 119.914 0.265 0.000 2.370 700 V HA 0.554 4.674 4.120 -0.000 0.000 0.283 700 V C 0.940 177.110 176.094 0.126 0.000 1.023 700 V CA 0.048 62.375 62.300 0.045 0.000 0.857 700 V CB 0.738 32.495 31.823 -0.110 0.000 0.985 700 V HN 1.167 nan 8.190 nan 0.000 0.443 701 A N 4.639 127.472 122.820 0.023 0.000 1.858 701 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 701 A C 1.084 178.871 177.584 0.339 0.000 1.190 701 A CA 1.747 53.908 52.037 0.207 0.000 0.617 701 A CB -0.110 18.976 19.000 0.143 0.000 0.827 701 A HN 1.319 nan 8.150 nan 0.000 0.443 702 S N -4.491 111.333 115.700 0.205 0.000 2.663 702 S HA 0.485 4.955 4.470 -0.000 0.000 0.264 702 S C -1.246 173.347 174.600 -0.012 0.000 1.112 702 S CA -0.409 57.855 58.200 0.108 0.000 0.823 702 S CB 0.519 63.810 63.200 0.151 0.000 1.111 702 S HN 0.828 nan 8.310 nan 0.000 0.476 703 c N 1.565 120.083 118.600 -0.137 0.000 2.783 703 c HA 0.702 5.272 4.570 -0.000 0.000 0.312 703 c C 0.629 174.542 174.090 -0.294 0.000 1.182 703 c CA -0.742 55.377 56.329 -0.351 0.000 1.432 703 c CB 0.656 42.954 42.510 -0.354 0.000 1.933 703 c HN 0.977 nan 8.230 nan 0.000 0.473 704 F N 0.375 120.129 119.950 -0.326 0.000 2.731 704 F HA 0.469 4.996 4.527 -0.000 0.000 0.298 704 F C 0.408 175.984 175.800 -0.374 0.000 1.106 704 F CA 0.084 57.916 58.000 -0.279 0.000 1.329 704 F CB -0.064 38.803 39.000 -0.221 0.000 1.100 704 F HN 0.518 nan 8.300 nan 0.000 0.592 705 N N -0.435 117.516 118.700 -1.248 0.000 3.185 705 N HA 0.060 4.800 4.740 -0.000 0.000 0.238 705 N C 0.791 175.763 175.510 -0.896 0.000 1.451 705 N CA 0.548 52.984 53.050 -1.023 0.000 0.888 705 N CB 1.439 39.103 38.487 -1.373 0.000 1.413 705 N HN -0.002 nan 8.380 nan 0.000 0.511 706 T N -1.274 112.939 114.554 -0.569 0.000 2.822 706 T HA -0.194 4.155 4.350 -0.000 0.000 0.270 706 T C 1.457 175.851 174.700 -0.509 0.000 1.064 706 T CA 1.770 63.575 62.100 -0.491 0.000 1.131 706 T CB -0.594 68.038 68.868 -0.394 0.000 0.858 706 T HN 0.623 nan 8.240 nan 0.000 0.483 707 Y N -0.087 119.919 120.300 -0.489 0.000 2.467 707 Y HA 0.689 5.239 4.550 -0.000 0.000 0.250 707 Y C 1.026 176.584 175.900 -0.571 0.000 1.155 707 Y CA -1.413 56.419 58.100 -0.447 0.000 1.249 707 Y CB -0.147 38.039 38.460 -0.456 0.000 1.146 707 Y HN 0.196 nan 8.280 nan 0.000 0.524 708 G N 1.016 109.039 108.800 -1.296 0.000 3.302 708 G HA2 0.494 4.454 3.960 -0.000 0.000 0.338 708 G HA3 0.494 4.454 3.960 -0.000 0.000 0.338 708 G C -1.359 172.706 174.900 -1.392 0.000 1.405 708 G CA -0.314 43.844 45.100 -1.569 0.000 1.090 708 G HN 0.263 nan 8.290 nan 0.000 0.482 709 c N 1.071 118.994 118.600 -1.128 0.000 2.707 709 c HA 0.793 5.363 4.570 -0.000 0.000 0.313 709 c C -1.044 172.351 174.090 -1.157 0.000 1.209 709 c CA -0.780 54.923 56.329 -1.043 0.000 1.635 709 c CB 1.202 43.362 42.510 -0.582 0.000 2.206 709 c HN 0.604 nan 8.230 nan 0.000 0.485 710 F N 0.383 120.248 119.950 -0.141 0.000 2.499 710 F HA 0.357 4.884 4.527 -0.000 0.000 0.333 710 F C -0.190 175.548 175.800 -0.103 0.000 1.138 710 F CA -0.817 57.147 58.000 -0.061 0.000 0.945 710 F CB 0.524 39.548 39.000 0.041 0.000 1.181 710 F HN 0.626 nan 8.300 nan 0.000 0.435 711 W N 2.293 123.646 121.300 0.088 0.000 2.210 711 W HA 0.428 5.088 4.660 -0.000 0.000 0.330 711 W C 1.076 177.456 176.519 -0.233 0.000 1.334 711 W CA -0.335 56.947 57.345 -0.106 0.000 1.227 711 W CB 0.750 30.151 29.460 -0.099 0.000 1.178 711 W HN 0.729 nan 8.180 nan 0.000 0.560 712 G N 1.300 109.928 108.800 -0.287 0.000 2.611 712 G HA2 0.458 4.418 3.960 -0.000 0.000 0.273 712 G HA3 0.458 4.418 3.960 -0.000 0.000 0.273 712 G C -0.859 173.811 174.900 -0.383 0.000 1.305 712 G CA -0.677 43.907 45.100 -0.860 0.000 1.010 712 G HN 0.705 nan 8.290 nan 0.000 0.509 713 A N -0.219 122.478 122.820 -0.206 0.000 2.328 713 A HA 0.539 4.859 4.320 -0.000 0.000 0.284 713 A C 0.505 178.096 177.584 0.010 0.000 1.160 713 A CA -0.476 51.537 52.037 -0.039 0.000 0.818 713 A CB 0.153 19.162 19.000 0.015 0.000 1.087 713 A HN 0.747 nan 8.150 nan 0.000 0.504 714 E N 2.459 122.639 120.200 -0.033 0.000 2.343 714 E HA 0.359 4.708 4.350 -0.000 0.000 0.269 714 E C 0.135 176.736 176.600 0.001 0.000 1.047 714 E CA -0.914 55.474 56.400 -0.020 0.000 0.874 714 E CB 0.760 30.416 29.700 -0.074 0.000 1.033 714 E HN 0.632 nan 8.360 nan 0.000 0.409 715 R N 1.698 122.210 120.500 0.020 0.000 2.478 715 R HA -0.224 4.115 4.340 -0.000 0.000 0.277 715 R C -0.564 175.734 176.300 -0.003 0.000 0.913 715 R CA 0.969 57.079 56.100 0.017 0.000 1.125 715 R CB 0.309 30.623 30.300 0.024 0.000 0.863 715 R HN 0.705 nan 8.270 nan 0.000 0.426 716 Q N 3.102 122.901 119.800 -0.002 0.000 2.394 716 Q HA 0.537 4.877 4.340 -0.000 0.000 0.273 716 Q C -1.685 174.312 176.000 -0.005 0.000 1.089 716 Q CA -1.087 54.707 55.803 -0.015 0.000 0.812 716 Q CB 2.192 30.915 28.738 -0.024 0.000 1.353 716 Q HN 0.476 nan 8.270 nan 0.000 0.438 717 V N 2.944 122.848 119.914 -0.016 0.000 2.577 717 V HA 0.574 4.693 4.120 -0.000 0.000 0.303 717 V C -0.900 175.184 176.094 -0.016 0.000 1.042 717 V CA -0.669 61.629 62.300 -0.002 0.000 0.872 717 V CB 1.854 33.674 31.823 -0.005 0.000 0.998 717 V HN 0.582 nan 8.190 nan 0.000 0.423 718 V N 2.900 122.824 119.914 0.017 0.000 2.760 718 V HA 0.882 5.001 4.120 -0.000 0.000 0.309 718 V C -0.030 176.099 176.094 0.058 0.000 1.077 718 V CA -0.628 61.674 62.300 0.005 0.000 0.910 718 V CB 2.124 33.932 31.823 -0.025 0.000 1.008 718 V HN 1.025 nan 8.190 nan 0.000 0.424 719 A N 2.574 125.413 122.820 0.031 0.000 2.318 719 A HA 0.884 5.204 4.320 -0.000 0.000 0.324 719 A C -0.147 177.467 177.584 0.051 0.000 1.170 719 A CA -0.462 51.605 52.037 0.050 0.000 0.810 719 A CB 1.146 20.168 19.000 0.037 0.000 1.198 719 A HN 0.774 nan 8.150 nan 0.000 0.484 720 T N 1.511 116.103 114.554 0.063 0.000 2.848 720 T HA 0.680 5.030 4.350 -0.000 0.000 0.285 720 T C -0.340 174.341 174.700 -0.032 0.000 0.995 720 T CA -0.091 62.021 62.100 0.020 0.000 0.970 720 T CB 1.693 70.567 68.868 0.012 0.000 0.976 720 T HN 1.181 nan 8.240 nan 0.000 0.441 721 A N 2.351 125.118 122.820 -0.088 0.000 2.304 721 A HA 0.752 5.071 4.320 -0.000 0.000 0.314 721 A C 0.180 177.454 177.584 -0.517 0.000 1.187 721 A CA -0.806 51.048 52.037 -0.304 0.000 0.810 721 A CB 0.829 19.660 19.000 -0.282 0.000 1.183 721 A HN 0.789 nan 8.150 nan 0.000 0.487 722 T N 1.494 115.736 114.554 -0.519 0.000 2.815 722 T HA 0.688 5.038 4.350 -0.000 0.000 0.289 722 T C -1.227 173.298 174.700 -0.292 0.000 1.000 722 T CA -0.371 61.496 62.100 -0.389 0.000 0.958 722 T CB -0.189 68.581 68.868 -0.162 0.000 0.944 722 T HN 0.268 nan 8.240 nan 0.000 0.442 723 F N 3.290 123.277 119.950 0.063 0.000 2.436 723 F HA 0.606 5.133 4.527 -0.000 0.000 0.340 723 F C 0.972 176.815 175.800 0.071 0.000 1.113 723 F CA -1.246 56.824 58.000 0.117 0.000 1.022 723 F CB 1.581 40.708 39.000 0.212 0.000 1.128 723 F HN 0.348 nan 8.300 nan 0.000 0.466 724 R N 3.301 124.023 120.500 0.370 0.000 2.288 724 R HA 0.387 4.727 4.340 -0.000 0.000 0.326 724 R C -0.924 175.654 176.300 0.465 0.000 0.959 724 R CA -0.592 55.686 56.100 0.296 0.000 0.834 724 R CB 1.081 31.511 30.300 0.217 0.000 1.157 724 R HN 0.365 nan 8.270 nan 0.000 0.470 725 F N 0.000 120.077 119.950 0.211 0.000 2.286 725 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 725 F CA 0.000 58.101 58.000 0.168 0.000 1.383 725 F CB 0.000 39.114 39.000 0.190 0.000 1.145 725 F HN 0.000 nan 8.300 nan 0.000 0.574