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 3g0i_1_A DATA FIRST_RESID 3 DATA SEQUENCE KAFAKFPSSA SISPNPFTVS IPDEQLDDLK TLVRLSKIAP PTYESLQADG DATA SEQUENCE RFGITSEWLT TMREKWLSEF DWRPFEARLN SFPQFTTEIE GLTIHFAALF DATA SEQUENCE SEREDAVPIA LLHGWPGSFV EFYPILQLFR EEYTPETLPF HLVVPSLPGY DATA SEQUENCE TFSSGPPLDK DFGLMDNARV VDQLMKDLGF GSGYIIQGGD IGSFVGRLLG DATA SEQUENCE VGFDACKAVH LNLCAMRAPP EGPSIESLSA AEKEGIARME KFMTDGLAYA DATA SEQUENCE MEHSTRPSTI GHVLSSSPIA LLAWIGEKYL QWVDKPLPSE TILEMVSLYW DATA SEQUENCE LTESFPRAIH TYRETTPXXX XXXXXXMLQK ELYIHKPFGF SFFPKDLCPV DATA SEQUENCE PRSWIATTGN LVFFRDHAEG GHFAALERPR ELKTDLTAFV EQVW 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.663 176.600 0.104 0.000 0.988 3 K CA 0.000 56.335 56.287 0.080 0.000 0.838 3 K CB 0.000 32.532 32.500 0.054 0.000 1.064 4 A N 0.689 123.560 122.820 0.084 0.000 2.477 4 A HA 0.429 4.749 4.320 -0.001 0.000 0.246 4 A C 0.468 178.177 177.584 0.208 0.000 1.078 4 A CA 0.657 52.697 52.037 0.005 0.000 0.770 4 A CB -0.723 18.246 19.000 -0.053 0.000 1.011 4 A HN 0.403 nan 8.150 nan 0.000 0.494 5 F N -0.693 119.376 119.950 0.199 0.000 2.871 5 F HA -0.353 4.173 4.527 -0.000 0.000 0.326 5 F C 1.647 177.698 175.800 0.419 0.000 0.675 5 F CA 0.989 59.151 58.000 0.269 0.000 1.188 5 F CB -1.613 37.518 39.000 0.219 0.000 1.567 5 F HN 0.680 nan 8.300 nan 0.000 0.325 6 A N -0.433 122.701 122.820 0.523 0.000 2.220 6 A HA 0.105 4.425 4.320 -0.001 0.000 0.211 6 A C 1.174 179.135 177.584 0.628 0.000 1.176 6 A CA 0.222 52.663 52.037 0.673 0.000 0.834 6 A CB 0.030 19.304 19.000 0.458 0.000 0.868 6 A HN 0.264 nan 8.150 nan 0.000 0.488 7 K N 0.619 121.248 120.400 0.382 0.000 2.379 7 K HA 0.258 4.578 4.320 -0.001 0.000 0.284 7 K C -0.953 175.703 176.600 0.093 0.000 1.044 7 K CA -0.293 56.105 56.287 0.185 0.000 0.974 7 K CB 0.040 32.607 32.500 0.113 0.000 0.962 7 K HN 0.310 nan 8.250 nan 0.000 0.474 8 F N 5.033 124.758 119.950 -0.376 0.000 2.553 8 F HA 0.060 4.586 4.527 -0.001 0.000 0.356 8 F C -1.267 174.204 175.800 -0.548 0.000 1.142 8 F CA -2.099 55.430 58.000 -0.784 0.000 1.322 8 F CB 0.508 39.157 39.000 -0.585 0.000 1.126 8 F HN 0.469 nan 8.300 nan 0.000 0.599 9 P HA -0.054 nan 4.420 nan 0.000 0.268 9 P C 0.323 177.520 177.300 -0.172 0.000 1.208 9 P CA 0.061 62.992 63.100 -0.282 0.000 0.777 9 P CB 0.672 32.117 31.700 -0.425 0.000 0.875 10 S N 0.417 116.081 115.700 -0.060 0.000 2.420 10 S HA -0.184 4.285 4.470 -0.001 0.000 0.237 10 S C 1.467 176.031 174.600 -0.060 0.000 1.023 10 S CA 1.642 59.821 58.200 -0.035 0.000 0.991 10 S CB -1.231 61.974 63.200 0.008 0.000 0.792 10 S HN 0.539 nan 8.310 nan 0.000 0.488 11 S N 0.829 116.471 115.700 -0.097 0.000 2.557 11 S HA 0.649 5.118 4.470 -0.001 0.000 0.223 11 S C 0.624 175.113 174.600 -0.185 0.000 0.969 11 S CA -0.133 58.004 58.200 -0.105 0.000 0.927 11 S CB -0.277 62.886 63.200 -0.062 0.000 0.806 11 S HN 0.764 nan 8.310 nan 0.000 0.489 12 A N 2.125 124.788 122.820 -0.261 0.000 2.540 12 A HA 0.468 4.788 4.320 -0.001 0.000 0.239 12 A C 1.301 178.802 177.584 -0.139 0.000 1.061 12 A CA 0.189 52.046 52.037 -0.300 0.000 0.758 12 A CB 0.152 18.947 19.000 -0.342 0.000 0.991 12 A HN 0.712 nan 8.150 nan 0.000 0.502 13 S N 1.820 117.444 115.700 -0.128 0.000 2.503 13 S HA 0.175 4.645 4.470 -0.001 0.000 0.215 13 S C 0.648 175.239 174.600 -0.016 0.000 1.003 13 S CA 0.392 58.556 58.200 -0.060 0.000 0.910 13 S CB -0.759 62.406 63.200 -0.059 0.000 0.790 13 S HN 0.845 nan 8.310 nan 0.000 0.514 14 I N -0.121 120.452 120.570 0.006 0.000 2.677 14 I HA 0.606 4.775 4.170 -0.001 0.000 0.305 14 I C 0.191 176.400 176.117 0.153 0.000 0.988 14 I CA -0.894 60.455 61.300 0.081 0.000 1.260 14 I CB 1.386 39.445 38.000 0.098 0.000 1.410 14 I HN -0.016 nan 8.210 nan 0.000 0.523 15 S N 4.332 120.092 115.700 0.101 0.000 2.548 15 S HA 0.378 4.848 4.470 -0.001 0.000 0.277 15 S C -2.211 172.378 174.600 -0.018 0.000 1.315 15 S CA -1.278 56.932 58.200 0.018 0.000 1.050 15 S CB 0.285 63.491 63.200 0.011 0.000 0.918 15 S HN 0.579 nan 8.310 nan 0.000 0.497 16 P HA 0.195 nan 4.420 nan 0.000 0.276 16 P C -1.186 176.088 177.300 -0.042 0.000 1.253 16 P CA -0.302 62.427 63.100 -0.619 0.000 0.766 16 P CB 0.202 31.291 31.700 -1.018 0.000 0.845 17 N N 4.611 123.442 118.700 0.218 0.000 2.800 17 N HA 0.244 4.984 4.740 -0.001 0.000 0.240 17 N C -2.570 173.100 175.510 0.267 0.000 1.096 17 N CA -1.408 51.768 53.050 0.210 0.000 0.877 17 N CB 0.917 39.518 38.487 0.190 0.000 1.138 17 N HN 0.234 nan 8.380 nan 0.000 0.509 18 P HA 0.045 nan 4.420 nan 0.000 0.266 18 P C -0.711 176.563 177.300 -0.043 0.000 1.195 18 P CA 0.179 63.207 63.100 -0.120 0.000 0.768 18 P CB 0.319 31.939 31.700 -0.134 0.000 0.838 19 F N 2.442 122.217 119.950 -0.292 0.000 2.532 19 F HA 0.588 5.114 4.527 -0.001 0.000 0.321 19 F C -0.601 175.077 175.800 -0.202 0.000 1.089 19 F CA -0.084 57.803 58.000 -0.189 0.000 0.926 19 F CB 1.742 40.656 39.000 -0.144 0.000 1.168 19 F HN 0.102 nan 8.300 nan 0.000 0.459 20 T N 4.766 118.708 114.554 -1.019 0.000 2.886 20 T HA 0.424 4.774 4.350 -0.001 0.000 0.292 20 T C -1.184 172.889 174.700 -1.046 0.000 1.012 20 T CA -0.562 61.100 62.100 -0.730 0.000 0.982 20 T CB 1.748 70.376 68.868 -0.401 0.000 1.018 20 T HN 0.375 nan 8.240 nan 0.000 0.451 21 V N 3.062 122.618 119.914 -0.595 0.000 2.470 21 V HA 0.496 4.616 4.120 -0.001 0.000 0.276 21 V C 0.501 176.502 176.094 -0.156 0.000 1.040 21 V CA -0.037 62.022 62.300 -0.401 0.000 1.008 21 V CB 1.214 32.950 31.823 -0.145 0.000 0.990 21 V HN 0.920 nan 8.190 nan 0.000 0.477 22 S N 6.135 121.793 115.700 -0.069 0.000 2.381 22 S HA 0.434 4.903 4.470 -0.001 0.000 0.193 22 S C -0.672 174.002 174.600 0.123 0.000 1.287 22 S CA -0.642 57.578 58.200 0.033 0.000 1.199 22 S CB -0.108 63.058 63.200 -0.058 0.000 1.214 22 S HN 0.460 nan 8.310 nan 0.000 0.444 23 I N 4.712 125.434 120.570 0.253 0.000 2.452 23 I HA 0.319 4.489 4.170 -0.001 0.000 0.287 23 I C -2.042 174.141 176.117 0.110 0.000 1.079 23 I CA -2.369 59.032 61.300 0.169 0.000 1.387 23 I CB 0.051 38.090 38.000 0.065 0.000 1.404 23 I HN 0.343 nan 8.210 nan 0.000 0.522 24 P HA 0.057 nan 4.420 nan 0.000 0.267 24 P C 0.558 177.885 177.300 0.045 0.000 1.200 24 P CA -0.109 63.020 63.100 0.049 0.000 0.772 24 P CB 0.822 32.542 31.700 0.033 0.000 0.855 25 D N 1.343 121.772 120.400 0.049 0.000 2.190 25 D HA -0.194 4.446 4.640 -0.001 0.000 0.200 25 D C 1.575 177.894 176.300 0.030 0.000 0.992 25 D CA 1.406 55.434 54.000 0.047 0.000 0.854 25 D CB -0.055 40.771 40.800 0.043 0.000 0.936 25 D HN 0.535 nan 8.370 nan 0.000 0.462 26 E N 0.731 120.944 120.200 0.022 0.000 2.150 26 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 26 E C 1.967 178.576 176.600 0.014 0.000 0.985 26 E CA 1.021 57.430 56.400 0.015 0.000 0.814 26 E CB 0.011 29.719 29.700 0.013 0.000 0.752 26 E HN 0.307 nan 8.360 nan 0.000 0.466 27 Q N -0.223 119.584 119.800 0.012 0.000 2.119 27 Q HA -0.089 4.251 4.340 -0.001 0.000 0.201 27 Q C 2.290 178.295 176.000 0.010 0.000 0.972 27 Q CA 1.291 57.101 55.803 0.012 0.000 0.847 27 Q CB -0.077 28.657 28.738 -0.007 0.000 0.903 27 Q HN 0.353 nan 8.270 nan 0.000 0.433 28 L N 0.744 121.962 121.223 -0.009 0.000 2.046 28 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 28 L C 1.696 178.567 176.870 0.002 0.000 1.077 28 L CA 0.935 55.775 54.840 -0.001 0.000 0.747 28 L CB -0.480 41.605 42.059 0.043 0.000 0.896 28 L HN 0.215 nan 8.230 nan 0.000 0.432 29 D N 0.012 120.415 120.400 0.006 0.000 2.117 29 D HA -0.173 4.466 4.640 -0.001 0.000 0.197 29 D C 1.768 178.050 176.300 -0.030 0.000 0.987 29 D CA 1.167 55.162 54.000 -0.008 0.000 0.829 29 D CB -0.232 40.569 40.800 0.001 0.000 0.961 29 D HN 0.241 nan 8.370 nan 0.000 0.460 30 D N -0.081 120.313 120.400 -0.009 0.000 2.144 30 D HA -0.097 4.542 4.640 -0.001 0.000 0.200 30 D C 2.037 178.319 176.300 -0.030 0.000 0.978 30 D CA 0.180 54.181 54.000 0.002 0.000 0.833 30 D CB -0.217 40.613 40.800 0.049 0.000 0.961 30 D HN 0.090 nan 8.370 nan 0.000 0.470 31 L N 1.318 122.512 121.223 -0.048 0.000 1.989 31 L HA -0.159 4.180 4.340 -0.001 0.000 0.211 31 L C 1.995 178.599 176.870 -0.444 0.000 1.071 31 L CA 1.941 56.620 54.840 -0.268 0.000 0.749 31 L CB -0.655 41.251 42.059 -0.255 0.000 0.890 31 L HN -0.131 nan 8.230 nan 0.000 0.431 32 K N -1.354 118.868 120.400 -0.296 0.000 2.032 32 K HA -0.177 4.142 4.320 -0.001 0.000 0.209 32 K C 1.900 178.359 176.600 -0.235 0.000 1.048 32 K CA 2.056 58.176 56.287 -0.278 0.000 0.927 32 K CB -0.315 32.107 32.500 -0.130 0.000 0.712 32 K HN 0.450 nan 8.250 nan 0.000 0.441 33 T N 1.790 116.248 114.554 -0.161 0.000 2.684 33 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 33 T C 1.691 176.297 174.700 -0.156 0.000 1.036 33 T CA 1.483 63.510 62.100 -0.123 0.000 1.148 33 T CB -0.135 68.690 68.868 -0.072 0.000 0.863 33 T HN 0.170 nan 8.240 nan 0.000 0.436 34 L N 0.779 121.884 121.223 -0.197 0.000 2.141 34 L HA -0.060 4.280 4.340 -0.001 0.000 0.209 34 L C 2.656 179.328 176.870 -0.331 0.000 1.094 34 L CA 0.837 55.542 54.840 -0.226 0.000 0.763 34 L CB -0.769 41.164 42.059 -0.210 0.000 0.908 34 L HN 0.185 nan 8.230 nan 0.000 0.437 35 V N -0.004 119.627 119.914 -0.472 0.000 2.287 35 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 35 V C 2.685 178.622 176.094 -0.261 0.000 1.053 35 V CA 1.910 63.925 62.300 -0.475 0.000 1.027 35 V CB -0.664 30.761 31.823 -0.663 0.000 0.646 35 V HN 0.457 nan 8.190 nan 0.000 0.447 36 R N -0.396 119.978 120.500 -0.210 0.000 2.081 36 R HA -0.099 4.241 4.340 -0.001 0.000 0.235 36 R C 2.245 178.483 176.300 -0.103 0.000 1.131 36 R CA 1.495 57.517 56.100 -0.131 0.000 0.960 36 R CB -0.212 30.024 30.300 -0.105 0.000 0.856 36 R HN 0.445 nan 8.270 nan 0.000 0.436 37 L N 0.530 121.689 121.223 -0.107 0.000 2.291 37 L HA 0.014 4.354 4.340 -0.001 0.000 0.214 37 L C 0.728 177.555 176.870 -0.072 0.000 1.120 37 L CA 0.128 54.922 54.840 -0.077 0.000 0.799 37 L CB -0.065 41.954 42.059 -0.066 0.000 0.925 37 L HN 0.059 nan 8.230 nan 0.000 0.446 38 S N 0.492 116.134 115.700 -0.097 0.000 2.560 38 S HA 0.105 4.574 4.470 -0.001 0.000 0.284 38 S C 0.244 174.812 174.600 -0.054 0.000 1.327 38 S CA -0.105 58.048 58.200 -0.079 0.000 1.055 38 S CB 0.631 63.764 63.200 -0.113 0.000 0.868 38 S HN 0.072 nan 8.310 nan 0.000 0.506 39 K N 1.909 122.289 120.400 -0.032 0.000 2.118 39 K HA 0.483 4.802 4.320 -0.001 0.000 0.254 39 K C -0.349 176.246 176.600 -0.008 0.000 0.961 39 K CA -0.701 55.574 56.287 -0.019 0.000 0.876 39 K CB 1.009 33.502 32.500 -0.011 0.000 1.077 39 K HN 0.385 nan 8.250 nan 0.000 0.440 40 I N 1.458 122.027 120.570 -0.003 0.000 2.428 40 I HA 0.195 4.365 4.170 -0.001 0.000 0.296 40 I C 0.808 176.935 176.117 0.017 0.000 0.985 40 I CA -0.953 60.353 61.300 0.010 0.000 1.260 40 I CB 1.059 39.062 38.000 0.006 0.000 1.389 40 I HN 0.626 nan 8.210 nan 0.000 0.484 41 A N 8.549 131.386 122.820 0.029 0.000 2.547 41 A HA 0.302 4.622 4.320 -0.001 0.000 0.233 41 A C -1.964 175.635 177.584 0.025 0.000 1.067 41 A CA -0.519 51.535 52.037 0.029 0.000 0.763 41 A CB -0.947 18.077 19.000 0.039 0.000 1.007 41 A HN 0.580 nan 8.150 nan 0.000 0.506 42 P HA 0.261 nan 4.420 nan 0.000 0.269 42 P C -2.650 174.666 177.300 0.027 0.000 1.215 42 P CA -1.052 62.060 63.100 0.021 0.000 0.780 42 P CB -0.586 31.125 31.700 0.018 0.000 0.898 43 P HA 0.122 nan 4.420 nan 0.000 0.266 43 P C -0.138 177.185 177.300 0.039 0.000 1.195 43 P CA 0.433 63.553 63.100 0.033 0.000 0.768 43 P CB 0.153 31.873 31.700 0.032 0.000 0.838 44 T N -1.116 113.465 114.554 0.045 0.000 2.901 44 T HA 0.232 4.582 4.350 -0.001 0.000 0.293 44 T C 0.570 175.323 174.700 0.089 0.000 1.084 44 T CA -0.575 61.562 62.100 0.061 0.000 1.008 44 T CB 0.647 69.539 68.868 0.040 0.000 1.170 44 T HN 0.289 nan 8.240 nan 0.000 0.509 45 Y N 1.703 122.001 120.300 -0.005 0.000 2.096 45 Y HA -0.264 4.285 4.550 -0.001 0.000 0.278 45 Y C 2.066 177.995 175.900 0.048 0.000 1.192 45 Y CA 2.503 60.611 58.100 0.014 0.000 1.143 45 Y CB -0.477 37.975 38.460 -0.012 0.000 0.963 45 Y HN 0.844 nan 8.280 nan 0.000 0.505 46 E N -0.387 119.765 120.200 -0.079 0.000 2.106 46 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 46 E C 2.378 179.002 176.600 0.040 0.000 0.984 46 E CA 1.539 57.882 56.400 -0.095 0.000 0.806 46 E CB -0.402 29.144 29.700 -0.257 0.000 0.750 46 E HN 0.532 nan 8.360 nan 0.000 0.458 47 S N -0.024 115.686 115.700 0.016 0.000 2.561 47 S HA 0.033 4.502 4.470 -0.001 0.000 0.225 47 S C 1.471 176.081 174.600 0.016 0.000 0.977 47 S CA 0.291 58.511 58.200 0.034 0.000 0.926 47 S CB -0.057 63.169 63.200 0.043 0.000 0.769 47 S HN 0.168 nan 8.310 nan 0.000 0.533 48 L N 0.649 121.860 121.223 -0.020 0.000 2.667 48 L HA 0.297 4.637 4.340 -0.001 0.000 0.232 48 L C 0.149 176.979 176.870 -0.066 0.000 1.138 48 L CA -0.178 54.645 54.840 -0.027 0.000 0.921 48 L CB 0.035 42.088 42.059 -0.009 0.000 1.180 48 L HN 0.202 nan 8.230 nan 0.000 0.487 49 Q N 0.526 120.274 119.800 -0.087 0.000 2.337 49 Q HA 0.245 4.584 4.340 -0.001 0.000 0.255 49 Q C 0.986 176.940 176.000 -0.077 0.000 0.997 49 Q CA 0.042 55.779 55.803 -0.110 0.000 0.925 49 Q CB 1.698 30.355 28.738 -0.135 0.000 1.212 49 Q HN 0.189 nan 8.270 nan 0.000 0.436 50 A N 3.493 126.275 122.820 -0.064 0.000 2.015 50 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 50 A C 1.309 178.851 177.584 -0.070 0.000 1.163 50 A CA 1.592 53.600 52.037 -0.049 0.000 0.646 50 A CB -0.107 18.876 19.000 -0.030 0.000 0.806 50 A HN 0.706 nan 8.150 nan 0.000 0.448 51 D N -1.206 119.138 120.400 -0.093 0.000 2.348 51 D HA 0.134 4.774 4.640 -0.001 0.000 0.216 51 D C 1.258 177.475 176.300 -0.138 0.000 0.970 51 D CA 0.962 54.897 54.000 -0.109 0.000 0.889 51 D CB -0.985 39.745 40.800 -0.117 0.000 0.912 51 D HN 0.811 nan 8.370 nan 0.000 0.524 52 G N 1.615 110.328 108.800 -0.145 0.000 2.225 52 G HA2 -0.437 3.522 3.960 -0.001 0.000 0.267 52 G HA3 -0.437 3.522 3.960 -0.001 0.000 0.267 52 G C 1.053 175.840 174.900 -0.188 0.000 1.024 52 G CA 0.620 45.629 45.100 -0.151 0.000 0.784 52 G HN 0.656 nan 8.290 nan 0.000 0.507 53 R N -0.901 119.420 120.500 -0.297 0.000 2.193 53 R HA 0.126 4.465 4.340 -0.001 0.000 0.229 53 R C 1.577 177.628 176.300 -0.415 0.000 1.110 53 R CA 1.586 57.445 56.100 -0.402 0.000 0.988 53 R CB -0.287 29.677 30.300 -0.560 0.000 0.871 53 R HN 0.459 nan 8.270 nan 0.000 0.458 54 F N 0.876 120.786 119.950 -0.067 0.000 2.641 54 F HA 0.407 4.933 4.527 -0.001 0.000 0.302 54 F C 1.192 176.950 175.800 -0.069 0.000 1.098 54 F CA 0.181 58.149 58.000 -0.054 0.000 1.318 54 F CB 1.179 40.152 39.000 -0.046 0.000 1.035 54 F HN 0.396 nan 8.300 nan 0.000 0.551 55 G N 1.370 110.180 108.800 0.016 0.000 2.396 55 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.254 55 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.254 55 G C -0.506 174.341 174.900 -0.089 0.000 1.248 55 G CA -0.783 44.281 45.100 -0.059 0.000 1.033 55 G HN 0.309 nan 8.290 nan 0.000 0.502 56 I N -0.207 120.294 120.570 -0.114 0.000 2.752 56 I HA 0.503 4.672 4.170 -0.001 0.000 0.287 56 I C 1.157 177.285 176.117 0.019 0.000 1.188 56 I CA 0.242 61.470 61.300 -0.120 0.000 1.427 56 I CB 0.589 38.558 38.000 -0.052 0.000 1.365 56 I HN 0.965 nan 8.210 nan 0.000 0.585 57 T N 1.617 116.199 114.554 0.048 0.000 2.882 57 T HA 0.259 4.609 4.350 -0.001 0.000 0.287 57 T C 1.017 175.804 174.700 0.146 0.000 1.014 57 T CA -0.340 61.811 62.100 0.085 0.000 1.049 57 T CB 1.498 70.405 68.868 0.066 0.000 1.001 57 T HN 0.695 nan 8.240 nan 0.000 0.525 58 S N 0.188 115.946 115.700 0.096 0.000 2.370 58 S HA -0.136 4.334 4.470 -0.001 0.000 0.226 58 S C 1.872 176.522 174.600 0.083 0.000 1.033 58 S CA 1.478 59.727 58.200 0.083 0.000 1.011 58 S CB -0.554 62.677 63.200 0.052 0.000 0.852 58 S HN 0.925 nan 8.310 nan 0.000 0.457 59 E N -0.313 119.937 120.200 0.084 0.000 2.049 59 E HA -0.253 4.097 4.350 -0.001 0.000 0.198 59 E C 1.869 178.525 176.600 0.094 0.000 1.007 59 E CA 1.545 57.987 56.400 0.071 0.000 0.809 59 E CB -0.267 29.473 29.700 0.067 0.000 0.749 59 E HN 0.676 nan 8.360 nan 0.000 0.450 60 W N 0.779 122.058 121.300 -0.036 0.000 2.355 60 W HA -0.219 4.440 4.660 -0.001 0.000 0.309 60 W C 2.109 178.597 176.519 -0.051 0.000 1.206 60 W CA 1.543 58.858 57.345 -0.050 0.000 1.284 60 W CB -0.537 28.887 29.460 -0.060 0.000 1.145 60 W HN 0.227 nan 8.180 nan 0.000 0.502 61 L N 0.563 121.857 121.223 0.119 0.000 2.046 61 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 61 L C 2.435 179.202 176.870 -0.172 0.000 1.077 61 L CA 2.675 57.459 54.840 -0.094 0.000 0.747 61 L CB -1.335 40.791 42.059 0.111 0.000 0.896 61 L HN -0.053 nan 8.230 nan 0.000 0.432 62 T N -1.220 113.284 114.554 -0.082 0.000 2.652 62 T HA -0.222 4.128 4.350 -0.001 0.000 0.267 62 T C 1.797 176.418 174.700 -0.131 0.000 1.039 62 T CA 2.224 64.276 62.100 -0.079 0.000 1.153 62 T CB -0.658 68.189 68.868 -0.035 0.000 0.863 62 T HN 0.682 nan 8.240 nan 0.000 0.428 63 T N 0.735 115.187 114.554 -0.170 0.000 2.777 63 T HA -0.037 4.313 4.350 -0.001 0.000 0.266 63 T C 2.043 176.571 174.700 -0.286 0.000 1.040 63 T CA 0.808 62.793 62.100 -0.191 0.000 1.141 63 T CB -0.358 68.411 68.868 -0.166 0.000 0.868 63 T HN 0.058 nan 8.240 nan 0.000 0.444 64 M N 1.137 120.433 119.600 -0.506 0.000 2.117 64 M HA 0.064 4.543 4.480 -0.001 0.000 0.262 64 M C 2.549 178.657 176.300 -0.320 0.000 1.065 64 M CA 1.376 56.314 55.300 -0.605 0.000 1.114 64 M CB -1.118 30.790 32.600 -1.154 0.000 1.361 64 M HN 0.386 nan 8.290 nan 0.000 0.408 65 R N 0.272 120.647 120.500 -0.209 0.000 2.083 65 R HA -0.216 4.123 4.340 -0.001 0.000 0.237 65 R C 2.120 178.414 176.300 -0.009 0.000 1.137 65 R CA 1.962 58.040 56.100 -0.037 0.000 0.951 65 R CB -0.135 30.133 30.300 -0.054 0.000 0.851 65 R HN 0.195 nan 8.270 nan 0.000 0.434 66 E N 0.887 121.054 120.200 -0.055 0.000 2.051 66 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 66 E C 1.699 178.296 176.600 -0.005 0.000 0.991 66 E CA 1.820 58.200 56.400 -0.033 0.000 0.799 66 E CB 0.008 29.679 29.700 -0.048 0.000 0.748 66 E HN 0.278 nan 8.360 nan 0.000 0.449 67 K N -0.782 119.596 120.400 -0.037 0.000 2.063 67 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 67 K C 1.975 178.641 176.600 0.109 0.000 1.048 67 K CA 1.346 57.628 56.287 -0.008 0.000 0.928 67 K CB -0.423 32.020 32.500 -0.096 0.000 0.713 67 K HN 0.268 nan 8.250 nan 0.000 0.442 68 W N 1.487 122.707 121.300 -0.134 0.000 2.363 68 W HA -0.094 4.566 4.660 -0.001 0.000 0.296 68 W C 1.563 178.058 176.519 -0.041 0.000 1.212 68 W CA 1.092 58.345 57.345 -0.153 0.000 1.260 68 W CB -0.473 28.809 29.460 -0.297 0.000 1.131 68 W HN 0.023 nan 8.180 nan 0.000 0.530 69 L N -0.608 120.706 121.223 0.151 0.000 2.131 69 L HA -0.154 4.186 4.340 -0.001 0.000 0.206 69 L C 2.255 179.172 176.870 0.077 0.000 1.087 69 L CA 1.491 56.360 54.840 0.048 0.000 0.767 69 L CB -0.576 41.477 42.059 -0.009 0.000 0.917 69 L HN -0.229 nan 8.230 nan 0.000 0.441 70 S N -2.013 113.739 115.700 0.087 0.000 2.599 70 S HA -0.016 4.453 4.470 -0.001 0.000 0.236 70 S C 1.642 176.286 174.600 0.073 0.000 1.077 70 S CA -0.102 58.134 58.200 0.061 0.000 0.906 70 S CB 0.635 63.852 63.200 0.028 0.000 0.804 70 S HN 0.327 nan 8.310 nan 0.000 0.497 71 E N 0.107 120.367 120.200 0.099 0.000 2.340 71 E HA 0.178 4.527 4.350 -0.001 0.000 0.198 71 E C -0.152 176.520 176.600 0.121 0.000 0.961 71 E CA -0.211 56.236 56.400 0.078 0.000 0.905 71 E CB 0.209 29.936 29.700 0.044 0.000 0.884 71 E HN 0.350 nan 8.360 nan 0.000 0.491 72 F N 2.042 122.027 119.950 0.058 0.000 2.484 72 F HA 0.174 4.700 4.527 -0.000 0.000 0.360 72 F C -0.438 175.441 175.800 0.131 0.000 1.101 72 F CA -0.032 58.024 58.000 0.095 0.000 1.251 72 F CB 0.869 39.988 39.000 0.199 0.000 1.132 72 F HN -0.200 nan 8.300 nan 0.000 0.570 73 D N 6.991 126.948 120.400 -0.739 0.000 2.620 73 D HA 0.030 4.670 4.640 -0.001 0.000 0.252 73 D C 0.337 176.195 176.300 -0.737 0.000 1.207 73 D CA -0.521 53.166 54.000 -0.522 0.000 0.884 73 D CB 0.512 41.183 40.800 -0.215 0.000 1.262 73 D HN 0.809 nan 8.370 nan 0.000 0.552 74 W N 5.049 125.986 121.300 -0.604 0.000 2.363 74 W HA -0.178 4.482 4.660 -0.001 0.000 0.296 74 W C 1.140 177.663 176.519 0.006 0.000 1.212 74 W CA 0.677 57.933 57.345 -0.148 0.000 1.260 74 W CB 0.306 29.880 29.460 0.191 0.000 1.131 74 W HN 0.386 nan 8.180 nan 0.000 0.530 75 R N 0.050 120.541 120.500 -0.016 0.000 2.083 75 R HA -0.150 4.190 4.340 -0.001 0.000 0.237 75 R C -0.226 175.975 176.300 -0.166 0.000 1.137 75 R CA 1.684 57.740 56.100 -0.073 0.000 0.951 75 R CB -2.396 27.916 30.300 0.019 0.000 0.851 75 R HN 0.257 nan 8.270 nan 0.000 0.434 76 P HA -0.119 nan 4.420 nan 0.000 0.217 76 P C 1.305 178.529 177.300 -0.128 0.000 1.150 76 P CA 0.837 63.866 63.100 -0.118 0.000 0.832 76 P CB -0.204 31.442 31.700 -0.090 0.000 0.787 77 F N 1.250 120.986 119.950 -0.356 0.000 2.102 77 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 77 F C 2.227 177.755 175.800 -0.455 0.000 1.105 77 F CA 1.500 59.267 58.000 -0.388 0.000 1.239 77 F CB -0.756 37.970 39.000 -0.457 0.000 0.991 77 F HN -0.093 nan 8.300 nan 0.000 0.474 78 E N 0.219 119.927 120.200 -0.819 0.000 2.058 78 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 78 E C 2.257 178.643 176.600 -0.357 0.000 0.997 78 E CA 1.248 57.224 56.400 -0.707 0.000 0.801 78 E CB -0.396 28.938 29.700 -0.611 0.000 0.746 78 E HN 0.453 nan 8.360 nan 0.000 0.450 79 A N 1.267 123.936 122.820 -0.252 0.000 1.972 79 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 79 A C 2.197 179.706 177.584 -0.124 0.000 1.169 79 A CA 1.470 53.417 52.037 -0.149 0.000 0.635 79 A CB -0.533 18.400 19.000 -0.112 0.000 0.810 79 A HN 0.222 nan 8.150 nan 0.000 0.446 80 R N -0.331 120.079 120.500 -0.150 0.000 2.075 80 R HA -0.040 4.300 4.340 -0.001 0.000 0.232 80 R C 1.963 178.308 176.300 0.075 0.000 1.126 80 R CA 1.338 57.407 56.100 -0.053 0.000 0.963 80 R CB -0.395 29.883 30.300 -0.036 0.000 0.858 80 R HN 0.544 nan 8.270 nan 0.000 0.435 81 L N 0.877 122.008 121.223 -0.153 0.000 2.042 81 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 81 L C 1.501 178.553 176.870 0.303 0.000 1.076 81 L CA 1.196 56.073 54.840 0.061 0.000 0.749 81 L CB -0.484 41.477 42.059 -0.165 0.000 0.893 81 L HN 0.246 nan 8.230 nan 0.000 0.432 82 N N -0.515 118.230 118.700 0.076 0.000 2.461 82 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 82 N C 1.799 177.309 175.510 0.000 0.000 1.134 82 N CA 0.932 54.001 53.050 0.032 0.000 0.878 82 N CB 0.122 38.571 38.487 -0.064 0.000 0.972 82 N HN 0.345 nan 8.380 nan 0.000 0.456 83 S N -0.969 114.727 115.700 -0.006 0.000 2.527 83 S HA 0.139 4.608 4.470 -0.001 0.000 0.222 83 S C 0.440 174.768 174.600 -0.453 0.000 0.985 83 S CA -0.059 58.006 58.200 -0.225 0.000 0.921 83 S CB -0.126 62.899 63.200 -0.293 0.000 0.772 83 S HN 0.045 nan 8.310 nan 0.000 0.529 84 F N 1.564 121.496 119.950 -0.030 0.000 2.556 84 F HA 0.580 5.107 4.527 -0.000 0.000 0.327 84 F C -2.615 173.169 175.800 -0.027 0.000 1.059 84 F CA -2.892 55.055 58.000 -0.089 0.000 0.953 84 F CB 0.988 39.795 39.000 -0.322 0.000 1.227 84 F HN -0.162 nan 8.300 nan 0.000 0.478 85 P HA 0.089 nan 4.420 nan 0.000 0.263 85 P C -1.470 175.780 177.300 -0.083 0.000 1.195 85 P CA 0.134 63.253 63.100 0.031 0.000 0.762 85 P CB 0.347 32.209 31.700 0.269 0.000 0.799 86 Q N 1.895 121.464 119.800 -0.385 0.000 2.433 86 Q HA 0.750 5.089 4.340 -0.001 0.000 0.279 86 Q C -0.960 174.523 176.000 -0.863 0.000 1.105 86 Q CA -0.546 55.007 55.803 -0.417 0.000 0.815 86 Q CB 1.970 30.684 28.738 -0.041 0.000 1.403 86 Q HN 0.310 nan 8.270 nan 0.000 0.435 87 F N -0.621 119.008 119.950 -0.535 0.000 2.662 87 F HA 0.570 5.096 4.527 -0.001 0.000 0.312 87 F C -0.224 175.251 175.800 -0.542 0.000 1.113 87 F CA -0.841 56.881 58.000 -0.463 0.000 0.951 87 F CB 2.173 40.837 39.000 -0.560 0.000 1.344 87 F HN 0.505 nan 8.300 nan 0.000 0.462 88 T N -2.073 112.504 114.554 0.038 0.000 2.908 88 T HA 0.787 5.137 4.350 -0.001 0.000 0.290 88 T C -0.837 174.015 174.700 0.254 0.000 1.034 88 T CA -0.708 61.441 62.100 0.082 0.000 1.010 88 T CB 2.046 70.954 68.868 0.068 0.000 1.068 88 T HN 0.771 nan 8.240 nan 0.000 0.481 89 T N 0.498 115.228 114.554 0.293 0.000 2.868 89 T HA 0.458 4.808 4.350 -0.001 0.000 0.306 89 T C -1.612 173.190 174.700 0.170 0.000 1.224 89 T CA -0.634 61.619 62.100 0.255 0.000 1.012 89 T CB 1.884 70.937 68.868 0.308 0.000 1.221 89 T HN 0.760 nan 8.240 nan 0.000 0.499 90 E N 2.111 122.386 120.200 0.125 0.000 2.175 90 E HA 0.591 4.940 4.350 -0.001 0.000 0.278 90 E C -0.794 175.851 176.600 0.076 0.000 0.969 90 E CA -0.466 55.990 56.400 0.092 0.000 0.796 90 E CB 1.462 31.208 29.700 0.077 0.000 1.104 90 E HN 0.423 nan 8.360 nan 0.000 0.395 91 I N 2.430 123.043 120.570 0.071 0.000 2.512 91 I HA 0.097 4.267 4.170 -0.001 0.000 0.287 91 I C -0.163 175.998 176.117 0.073 0.000 1.069 91 I CA -0.317 61.023 61.300 0.065 0.000 1.056 91 I CB 1.630 39.667 38.000 0.062 0.000 1.229 91 I HN 0.644 nan 8.210 nan 0.000 0.429 92 E N 4.086 124.328 120.200 0.070 0.000 2.539 92 E HA -0.286 4.064 4.350 -0.001 0.000 0.253 92 E C 1.132 177.767 176.600 0.058 0.000 1.145 92 E CA 0.685 57.130 56.400 0.075 0.000 0.738 92 E CB -1.131 28.636 29.700 0.112 0.000 1.308 92 E HN 1.225 nan 8.360 nan 0.000 0.409 93 G N -0.669 108.159 108.800 0.047 0.000 2.212 93 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.266 93 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.266 93 G C 0.324 175.239 174.900 0.024 0.000 0.978 93 G CA 0.551 45.671 45.100 0.034 0.000 0.632 93 G HN 0.282 nan 8.290 nan 0.000 0.537 94 L N 1.718 122.957 121.223 0.026 0.000 2.326 94 L HA 0.441 4.780 4.340 -0.001 0.000 0.278 94 L C 0.635 177.533 176.870 0.047 0.000 1.092 94 L CA -0.517 54.330 54.840 0.012 0.000 0.810 94 L CB 1.235 43.291 42.059 -0.006 0.000 1.153 94 L HN 0.045 nan 8.230 nan 0.000 0.439 95 T N 4.412 118.995 114.554 0.048 0.000 2.752 95 T HA 0.325 4.675 4.350 -0.001 0.000 0.295 95 T C 0.124 174.883 174.700 0.099 0.000 0.923 95 T CA -0.122 62.024 62.100 0.077 0.000 1.112 95 T CB 0.228 69.139 68.868 0.073 0.000 0.884 95 T HN 0.179 nan 8.240 nan 0.000 0.525 96 I N 4.511 125.164 120.570 0.138 0.000 2.354 96 I HA 0.185 4.354 4.170 -0.001 0.000 0.286 96 I C 0.629 176.894 176.117 0.247 0.000 1.007 96 I CA -0.771 60.641 61.300 0.187 0.000 1.167 96 I CB 0.680 38.783 38.000 0.172 0.000 1.320 96 I HN 0.695 nan 8.210 nan 0.000 0.458 97 H N 8.227 127.342 119.070 0.075 0.000 2.629 97 H HA 0.421 4.976 4.556 -0.001 0.000 0.357 97 H C -1.527 173.885 175.328 0.140 0.000 1.121 97 H CA 0.040 56.044 56.048 -0.074 0.000 1.406 97 H CB 1.204 30.816 29.762 -0.250 0.000 1.456 97 H HN 0.438 nan 8.280 nan 0.000 0.579 98 F N 1.337 120.844 119.950 -0.738 0.000 2.628 98 F HA 0.660 5.186 4.527 -0.001 0.000 0.309 98 F C -1.525 173.993 175.800 -0.470 0.000 1.108 98 F CA -1.069 56.637 58.000 -0.490 0.000 0.971 98 F CB 0.580 39.504 39.000 -0.127 0.000 1.279 98 F HN 0.604 nan 8.300 nan 0.000 0.441 99 A N 1.840 124.584 122.820 -0.127 0.000 2.282 99 A HA 0.995 5.314 4.320 -0.001 0.000 0.319 99 A C -0.615 177.057 177.584 0.147 0.000 1.121 99 A CA -0.189 51.886 52.037 0.063 0.000 0.836 99 A CB 0.860 20.085 19.000 0.374 0.000 1.146 99 A HN 2.094 nan 8.150 nan 0.000 0.494 100 A N 0.613 123.477 122.820 0.073 0.000 2.589 100 A HA 0.620 4.939 4.320 -0.001 0.000 0.296 100 A C -1.429 176.037 177.584 -0.198 0.000 1.062 100 A CA -0.405 51.528 52.037 -0.174 0.000 0.686 100 A CB 0.847 19.567 19.000 -0.468 0.000 1.282 100 A HN 0.795 nan 8.150 nan 0.000 0.404 101 L N 2.103 123.130 121.223 -0.327 0.000 2.295 101 L HA 0.470 4.810 4.340 -0.001 0.000 0.281 101 L C -1.325 175.487 176.870 -0.096 0.000 1.018 101 L CA -0.130 54.603 54.840 -0.177 0.000 0.841 101 L CB 0.776 42.614 42.059 -0.368 0.000 1.218 101 L HN 0.693 nan 8.230 nan 0.000 0.424 102 F N 1.264 121.453 119.950 0.398 0.000 2.410 102 F HA 0.266 4.792 4.527 -0.001 0.000 0.349 102 F C 1.037 177.101 175.800 0.440 0.000 1.117 102 F CA -0.208 58.074 58.000 0.470 0.000 1.104 102 F CB 1.820 41.059 39.000 0.397 0.000 1.122 102 F HN 0.372 nan 8.300 nan 0.000 0.483 103 S N 1.777 117.773 115.700 0.493 0.000 2.592 103 S HA 0.107 4.577 4.470 -0.001 0.000 0.271 103 S C 0.902 175.655 174.600 0.254 0.000 1.326 103 S CA -0.453 57.857 58.200 0.183 0.000 1.024 103 S CB 0.833 63.902 63.200 -0.218 0.000 0.921 103 S HN 0.774 nan 8.310 nan 0.000 0.527 104 E N 1.318 121.597 120.200 0.130 0.000 2.474 104 E HA 0.079 4.429 4.350 -0.001 0.000 0.194 104 E C 0.086 176.737 176.600 0.085 0.000 1.041 104 E CA 0.082 56.548 56.400 0.111 0.000 0.874 104 E CB 0.286 30.016 29.700 0.051 0.000 0.914 104 E HN 0.480 nan 8.360 nan 0.000 0.498 105 R N 1.091 121.616 120.500 0.041 0.000 2.347 105 R HA 0.026 4.365 4.340 -0.001 0.000 0.304 105 R C 0.836 177.177 176.300 0.067 0.000 1.072 105 R CA -0.116 55.997 56.100 0.021 0.000 0.980 105 R CB 0.713 30.988 30.300 -0.043 0.000 0.986 105 R HN -0.017 nan 8.270 nan 0.000 0.448 106 E N 1.865 122.117 120.200 0.087 0.000 2.153 106 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 106 E C 0.912 177.595 176.600 0.138 0.000 0.988 106 E CA 1.563 58.039 56.400 0.127 0.000 0.811 106 E CB 0.104 29.862 29.700 0.096 0.000 0.746 106 E HN 0.621 nan 8.360 nan 0.000 0.466 107 D N -0.616 119.837 120.400 0.088 0.000 2.340 107 D HA 0.072 4.711 4.640 -0.001 0.000 0.220 107 D C 0.115 176.436 176.300 0.035 0.000 1.039 107 D CA 0.221 54.281 54.000 0.099 0.000 0.866 107 D CB -0.453 40.400 40.800 0.088 0.000 0.913 107 D HN 0.120 nan 8.370 nan 0.000 0.523 108 A N 0.545 123.324 122.820 -0.069 0.000 2.540 108 A HA 0.318 4.638 4.320 -0.001 0.000 0.239 108 A C 0.342 177.774 177.584 -0.254 0.000 1.061 108 A CA -0.401 51.477 52.037 -0.264 0.000 0.758 108 A CB 0.406 19.040 19.000 -0.610 0.000 0.991 108 A HN 0.115 nan 8.150 nan 0.000 0.502 109 V N 5.436 125.146 119.914 -0.340 0.000 2.455 109 V HA 0.231 4.350 4.120 -0.001 0.000 0.273 109 V C -2.099 173.664 176.094 -0.551 0.000 1.045 109 V CA -1.107 60.764 62.300 -0.715 0.000 0.976 109 V CB 0.855 32.072 31.823 -1.011 0.000 0.993 109 V HN 0.764 nan 8.190 nan 0.000 0.475 110 P HA 0.450 nan 4.420 nan 0.000 0.281 110 P C -0.731 176.254 177.300 -0.526 0.000 1.252 110 P CA 0.013 62.679 63.100 -0.724 0.000 0.778 110 P CB 0.550 31.469 31.700 -1.301 0.000 0.895 111 I N 1.752 122.051 120.570 -0.451 0.000 2.582 111 I HA 0.644 4.813 4.170 -0.001 0.000 0.292 111 I C -0.288 175.641 176.117 -0.312 0.000 1.066 111 I CA -1.118 59.975 61.300 -0.346 0.000 1.053 111 I CB 2.407 40.149 38.000 -0.430 0.000 1.241 111 I HN 0.223 nan 8.210 nan 0.000 0.421 112 A N 6.653 129.324 122.820 -0.249 0.000 2.318 112 A HA 0.879 5.198 4.320 -0.001 0.000 0.324 112 A C -1.054 176.367 177.584 -0.272 0.000 1.170 112 A CA -0.421 51.456 52.037 -0.266 0.000 0.810 112 A CB 0.781 19.615 19.000 -0.277 0.000 1.198 112 A HN 0.571 nan 8.150 nan 0.000 0.484 113 L N 2.799 123.782 121.223 -0.400 0.000 2.305 113 L HA 0.517 4.856 4.340 -0.001 0.000 0.284 113 L C -0.522 176.035 176.870 -0.522 0.000 1.013 113 L CA 0.170 54.624 54.840 -0.643 0.000 0.819 113 L CB 1.371 42.668 42.059 -1.270 0.000 1.227 113 L HN 0.575 nan 8.230 nan 0.000 0.417 114 L N 3.791 124.916 121.223 -0.164 0.000 2.305 114 L HA 0.494 4.834 4.340 -0.001 0.000 0.284 114 L C 0.341 177.397 176.870 0.310 0.000 1.013 114 L CA -0.809 54.063 54.840 0.052 0.000 0.819 114 L CB 1.000 43.052 42.059 -0.011 0.000 1.227 114 L HN 0.706 nan 8.230 nan 0.000 0.417 115 H N 1.678 120.977 119.070 0.382 0.000 2.408 115 H HA 0.702 5.258 4.556 -0.001 0.000 0.345 115 H C -0.342 175.070 175.328 0.140 0.000 1.547 115 H CA -0.128 56.104 56.048 0.306 0.000 1.447 115 H CB 1.679 31.597 29.762 0.260 0.000 1.686 115 H HN 0.601 nan 8.280 nan 0.000 0.625 116 G N -1.413 107.586 108.800 0.331 0.000 3.107 116 G HA2 0.308 4.267 3.960 -0.001 0.000 0.233 116 G HA3 0.308 4.267 3.960 -0.001 0.000 0.233 116 G C -2.008 173.289 174.900 0.662 0.000 1.168 116 G CA -1.010 44.290 45.100 0.334 0.000 0.801 116 G HN 0.670 nan 8.290 nan 0.000 0.605 117 W N 2.140 123.811 121.300 0.619 0.000 2.478 117 W HA 0.623 5.283 4.660 -0.001 0.000 0.318 117 W C -1.886 175.047 176.519 0.691 0.000 1.062 117 W CA -2.333 55.499 57.345 0.811 0.000 1.210 117 W CB 2.380 32.383 29.460 0.905 0.000 1.325 117 W HN 0.270 nan 8.180 nan 0.000 0.496 118 P HA 0.219 nan 4.420 nan 0.000 0.227 118 P C 0.239 177.457 177.300 -0.138 0.000 1.801 118 P CA 0.087 62.689 63.100 -0.830 0.000 0.971 118 P CB 0.330 31.100 31.700 -1.550 0.000 1.653 119 G N 0.387 109.392 108.800 0.340 0.000 2.543 119 G HA2 0.632 4.592 3.960 -0.001 0.000 0.267 119 G HA3 0.632 4.592 3.960 -0.001 0.000 0.267 119 G C -0.506 174.534 174.900 0.234 0.000 1.406 119 G CA -0.280 45.022 45.100 0.336 0.000 1.048 119 G HN 0.408 nan 8.290 nan 0.000 0.548 120 S N -2.780 112.861 115.700 -0.098 0.000 2.663 120 S HA 0.274 4.744 4.470 -0.001 0.000 0.264 120 S C 0.699 175.132 174.600 -0.278 0.000 1.112 120 S CA 0.196 58.060 58.200 -0.561 0.000 0.823 120 S CB -0.028 63.109 63.200 -0.105 0.000 1.111 120 S HN 1.438 nan 8.310 nan 0.000 0.476 121 F N 0.123 120.016 119.950 -0.096 0.000 2.236 121 F HA 0.098 4.624 4.527 -0.001 0.000 0.302 121 F C 1.825 177.755 175.800 0.217 0.000 1.073 121 F CA 1.256 59.414 58.000 0.264 0.000 1.336 121 F CB -0.601 38.617 39.000 0.362 0.000 1.040 121 F HN 0.361 nan 8.300 nan 0.000 0.507 122 V N 0.899 120.272 119.914 -0.901 0.000 3.510 122 V HA -0.101 4.019 4.120 -0.001 0.000 0.270 122 V C 1.950 177.877 176.094 -0.279 0.000 1.201 122 V CA 1.199 62.978 62.300 -0.868 0.000 1.166 122 V CB -0.674 30.500 31.823 -1.082 0.000 0.825 122 V HN 0.482 nan 8.190 nan 0.000 0.484 123 E N -0.291 119.804 120.200 -0.175 0.000 2.153 123 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 123 E C 1.498 177.949 176.600 -0.248 0.000 0.988 123 E CA 1.388 57.660 56.400 -0.213 0.000 0.811 123 E CB -0.092 29.423 29.700 -0.309 0.000 0.746 123 E HN 0.756 nan 8.360 nan 0.000 0.466 124 F N -1.042 118.982 119.950 0.124 0.000 2.765 124 F HA 0.030 4.557 4.527 -0.001 0.000 0.302 124 F C 1.360 177.253 175.800 0.156 0.000 1.111 124 F CA -0.127 57.953 58.000 0.134 0.000 1.359 124 F CB 0.211 39.291 39.000 0.133 0.000 1.097 124 F HN 0.001 nan 8.300 nan 0.000 0.577 125 Y N 0.913 121.251 120.300 0.062 0.000 2.181 125 Y HA -0.106 4.444 4.550 -0.001 0.000 0.288 125 Y C -0.391 175.528 175.900 0.032 0.000 1.146 125 Y CA 0.709 58.803 58.100 -0.012 0.000 1.164 125 Y CB -2.194 36.316 38.460 0.082 0.000 0.982 125 Y HN 0.007 nan 8.280 nan 0.000 0.515 126 P HA -0.177 nan 4.420 nan 0.000 0.218 126 P C 1.609 178.969 177.300 0.099 0.000 1.148 126 P CA 1.728 64.903 63.100 0.125 0.000 0.822 126 P CB -0.082 31.659 31.700 0.068 0.000 0.784 127 I N -1.628 119.013 120.570 0.119 0.000 2.333 127 I HA -0.165 4.005 4.170 -0.001 0.000 0.246 127 I C 2.214 178.448 176.117 0.195 0.000 1.106 127 I CA 0.965 62.358 61.300 0.155 0.000 1.411 127 I CB -0.533 37.616 38.000 0.247 0.000 1.082 127 I HN -0.129 nan 8.210 nan 0.000 0.420 128 L N 0.176 121.406 121.223 0.012 0.000 2.079 128 L HA -0.263 4.077 4.340 -0.001 0.000 0.210 128 L C 2.655 179.508 176.870 -0.028 0.000 1.081 128 L CA 1.295 55.986 54.840 -0.249 0.000 0.752 128 L CB -0.666 40.743 42.059 -1.084 0.000 0.896 128 L HN 0.300 nan 8.230 nan 0.000 0.433 129 Q N 0.715 120.596 119.800 0.134 0.000 2.050 129 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 129 Q C 2.171 178.274 176.000 0.172 0.000 0.980 129 Q CA 1.736 57.736 55.803 0.327 0.000 0.840 129 Q CB -0.348 28.558 28.738 0.279 0.000 0.898 129 Q HN 0.460 nan 8.270 nan 0.000 0.424 130 L N -0.870 120.410 121.223 0.095 0.000 2.042 130 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 130 L C 2.225 179.100 176.870 0.009 0.000 1.076 130 L CA 1.261 56.104 54.840 0.005 0.000 0.749 130 L CB -0.573 41.433 42.059 -0.088 0.000 0.893 130 L HN 0.222 nan 8.230 nan 0.000 0.432 131 F N -0.020 119.971 119.950 0.069 0.000 2.134 131 F HA -0.216 4.311 4.527 -0.001 0.000 0.299 131 F C 2.916 178.775 175.800 0.099 0.000 1.097 131 F CA 1.437 59.505 58.000 0.114 0.000 1.264 131 F CB -0.254 38.742 39.000 -0.007 0.000 1.001 131 F HN -0.022 nan 8.300 nan 0.000 0.479 132 R N 0.877 121.487 120.500 0.184 0.000 2.115 132 R HA -0.140 4.199 4.340 -0.001 0.000 0.226 132 R C 1.744 178.153 176.300 0.181 0.000 1.100 132 R CA 1.534 57.706 56.100 0.119 0.000 0.980 132 R CB -0.274 30.087 30.300 0.103 0.000 0.875 132 R HN 0.319 nan 8.270 nan 0.000 0.445 133 E N -0.040 120.236 120.200 0.126 0.000 2.268 133 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 133 E C 0.909 177.532 176.600 0.038 0.000 0.995 133 E CA 1.073 57.517 56.400 0.073 0.000 0.836 133 E CB 0.245 29.968 29.700 0.039 0.000 0.763 133 E HN 0.492 nan 8.360 nan 0.000 0.491 134 E N -1.392 118.829 120.200 0.036 0.000 2.562 134 E HA 0.132 4.481 4.350 -0.001 0.000 0.214 134 E C -0.711 175.690 176.600 -0.330 0.000 0.979 134 E CA -0.076 56.237 56.400 -0.144 0.000 1.002 134 E CB 0.775 30.348 29.700 -0.212 0.000 1.048 134 E HN 0.105 nan 8.360 nan 0.000 0.488 135 Y N -0.158 120.234 120.300 0.154 0.000 2.588 135 Y HA 0.256 4.806 4.550 -0.001 0.000 0.343 135 Y C 0.353 176.436 175.900 0.305 0.000 1.065 135 Y CA -1.122 57.097 58.100 0.199 0.000 1.038 135 Y CB 1.913 40.512 38.460 0.231 0.000 1.297 135 Y HN -0.192 nan 8.280 nan 0.000 0.467 136 T N -2.397 112.398 114.554 0.402 0.000 2.948 136 T HA 0.371 4.720 4.350 -0.001 0.000 0.285 136 T C -2.403 172.377 174.700 0.132 0.000 1.019 136 T CA -2.419 59.823 62.100 0.236 0.000 1.013 136 T CB 1.871 70.783 68.868 0.074 0.000 1.117 136 T HN 0.254 nan 8.240 nan 0.000 0.533 137 P HA -0.056 nan 4.420 nan 0.000 0.218 137 P C 0.984 178.263 177.300 -0.035 0.000 1.146 137 P CA 1.033 63.933 63.100 -0.333 0.000 0.813 137 P CB 0.021 31.404 31.700 -0.528 0.000 0.778 138 E N -1.311 118.876 120.200 -0.021 0.000 2.208 138 E HA -0.096 4.253 4.350 -0.001 0.000 0.193 138 E C 1.775 178.402 176.600 0.045 0.000 0.988 138 E CA 1.752 58.161 56.400 0.015 0.000 0.828 138 E CB -0.902 28.805 29.700 0.012 0.000 0.763 138 E HN 0.396 nan 8.360 nan 0.000 0.478 139 T N -1.804 112.813 114.554 0.104 0.000 2.990 139 T HA 0.160 4.510 4.350 -0.001 0.000 0.250 139 T C 0.658 175.401 174.700 0.072 0.000 1.041 139 T CA -0.516 61.673 62.100 0.148 0.000 1.010 139 T CB -0.099 68.923 68.868 0.256 0.000 1.003 139 T HN -0.016 nan 8.240 nan 0.000 0.499 140 L N 5.080 126.317 121.223 0.023 0.000 2.628 140 L HA 0.213 4.553 4.340 -0.001 0.000 0.274 140 L C -1.491 175.069 176.870 -0.517 0.000 1.209 140 L CA -1.264 53.381 54.840 -0.324 0.000 0.930 140 L CB 0.688 42.759 42.059 0.019 0.000 1.183 140 L HN -0.053 nan 8.230 nan 0.000 0.492 141 P HA -0.005 nan 4.420 nan 0.000 0.236 141 P C -0.455 176.356 177.300 -0.814 0.000 1.177 141 P CA 0.853 63.430 63.100 -0.872 0.000 0.773 141 P CB 0.013 30.997 31.700 -1.193 0.000 0.878 142 F N -1.164 118.493 119.950 -0.489 0.000 2.588 142 F HA 0.408 4.935 4.527 -0.000 0.000 0.314 142 F C 0.915 176.381 175.800 -0.557 0.000 1.069 142 F CA -1.391 56.284 58.000 -0.542 0.000 0.931 142 F CB 1.239 39.907 39.000 -0.554 0.000 1.260 142 F HN -0.245 nan 8.300 nan 0.000 0.465 143 H N 3.127 122.108 119.070 -0.148 0.000 2.604 143 H HA 0.386 4.941 4.556 -0.001 0.000 0.306 143 H C -0.702 174.443 175.328 -0.305 0.000 1.075 143 H CA -0.295 55.663 56.048 -0.150 0.000 1.357 143 H CB 1.295 31.003 29.762 -0.091 0.000 1.426 143 H HN 0.368 nan 8.280 nan 0.000 0.470 144 L N 4.441 125.517 121.223 -0.245 0.000 2.277 144 L HA 0.271 4.610 4.340 -0.001 0.000 0.284 144 L C -0.127 176.545 176.870 -0.330 0.000 1.028 144 L CA -0.715 53.917 54.840 -0.348 0.000 0.835 144 L CB 1.083 42.873 42.059 -0.449 0.000 1.215 144 L HN 0.206 nan 8.230 nan 0.000 0.425 145 V N 4.370 124.115 119.914 -0.282 0.000 2.370 145 V HA 0.336 4.455 4.120 -0.001 0.000 0.283 145 V C 0.109 176.099 176.094 -0.173 0.000 1.023 145 V CA -0.583 61.589 62.300 -0.213 0.000 0.857 145 V CB 1.990 33.695 31.823 -0.196 0.000 0.985 145 V HN 0.405 nan 8.190 nan 0.000 0.443 146 V N 7.564 127.458 119.914 -0.034 0.000 2.276 146 V HA 0.332 4.451 4.120 -0.001 0.000 0.268 146 V C -2.256 173.962 176.094 0.207 0.000 1.032 146 V CA -1.554 60.777 62.300 0.051 0.000 0.810 146 V CB 1.287 33.214 31.823 0.174 0.000 1.060 146 V HN 0.721 nan 8.190 nan 0.000 0.446 147 P HA 0.297 nan 4.420 nan 0.000 0.278 147 P C -0.188 177.342 177.300 0.382 0.000 1.238 147 P CA -0.208 63.026 63.100 0.223 0.000 0.794 147 P CB 1.199 32.945 31.700 0.077 0.000 0.955 148 S N 2.101 118.058 115.700 0.429 0.000 2.474 148 S HA 0.254 4.723 4.470 -0.001 0.000 0.276 148 S C 0.573 175.428 174.600 0.425 0.000 1.227 148 S CA -0.472 58.062 58.200 0.556 0.000 1.050 148 S CB -0.410 63.095 63.200 0.508 0.000 0.939 148 S HN 0.276 nan 8.310 nan 0.000 0.490 149 L N 4.558 126.024 121.223 0.405 0.000 2.483 149 L HA 0.190 4.530 4.340 -0.001 0.000 0.276 149 L C -2.043 175.097 176.870 0.449 0.000 1.213 149 L CA -1.851 53.156 54.840 0.279 0.000 0.843 149 L CB -0.240 41.849 42.059 0.051 0.000 1.107 149 L HN 0.303 nan 8.230 nan 0.000 0.487 150 P HA -0.082 nan 4.420 nan 0.000 0.263 150 P C 0.704 178.195 177.300 0.318 0.000 1.168 150 P CA 1.239 64.481 63.100 0.237 0.000 0.759 150 P CB 0.453 32.238 31.700 0.141 0.000 0.782 151 G N 1.066 109.935 108.800 0.115 0.000 2.176 151 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.253 151 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.253 151 G C -0.444 174.393 174.900 -0.104 0.000 0.979 151 G CA -0.348 44.747 45.100 -0.008 0.000 0.641 151 G HN 0.460 nan 8.290 nan 0.000 0.530 152 Y N 1.011 121.359 120.300 0.081 0.000 2.393 152 Y HA 0.462 5.012 4.550 -0.001 0.000 0.341 152 Y C 1.611 177.471 175.900 -0.066 0.000 0.988 152 Y CA 0.489 58.605 58.100 0.026 0.000 1.078 152 Y CB 1.810 40.423 38.460 0.255 0.000 1.203 152 Y HN 0.918 nan 8.280 nan 0.000 0.453 153 T N -0.685 113.812 114.554 -0.096 0.000 13.588 153 T HA -0.423 3.927 4.350 -0.001 0.000 0.411 153 T C 0.764 175.177 174.700 -0.478 0.000 1.448 153 T CA 2.094 63.963 62.100 -0.386 0.000 2.302 153 T CB -1.452 67.208 68.868 -0.347 0.000 2.729 153 T HN 0.521 nan 8.240 nan 0.000 0.423 154 F N 2.490 122.371 119.950 -0.115 0.000 2.811 154 F HA 0.475 5.001 4.527 -0.000 0.000 0.301 154 F C 1.903 177.607 175.800 -0.160 0.000 1.151 154 F CA -0.033 57.809 58.000 -0.263 0.000 1.412 154 F CB 0.198 38.743 39.000 -0.758 0.000 1.113 154 F HN 0.271 nan 8.300 nan 0.000 0.579 155 S N 0.317 116.061 115.700 0.072 0.000 2.565 155 S HA 0.300 4.770 4.470 -0.001 0.000 0.274 155 S C 0.536 175.166 174.600 0.050 0.000 1.309 155 S CA -0.753 57.514 58.200 0.111 0.000 1.043 155 S CB 0.956 64.271 63.200 0.192 0.000 0.939 155 S HN 0.322 nan 8.310 nan 0.000 0.504 156 S N 2.664 118.382 115.700 0.031 0.000 2.598 156 S HA 0.867 5.337 4.470 -0.001 0.000 0.267 156 S C 0.763 175.319 174.600 -0.073 0.000 1.189 156 S CA -0.004 58.185 58.200 -0.019 0.000 1.010 156 S CB -0.143 63.049 63.200 -0.013 0.000 1.084 156 S HN 1.601 nan 8.310 nan 0.000 0.541 157 G N 0.082 108.803 108.800 -0.131 0.000 2.725 157 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.220 157 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.220 157 G C -3.086 171.649 174.900 -0.275 0.000 1.357 157 G CA -0.397 44.551 45.100 -0.252 0.000 0.866 157 G HN 0.806 nan 8.290 nan 0.000 0.548 158 P HA 0.413 nan 4.420 nan 0.000 0.279 158 P C -2.455 174.563 177.300 -0.470 0.000 1.282 158 P CA -0.972 61.668 63.100 -0.766 0.000 0.788 158 P CB -0.474 30.549 31.700 -1.127 0.000 1.139 159 P HA 0.098 nan 4.420 nan 0.000 0.267 159 P C 0.790 178.013 177.300 -0.127 0.000 1.201 159 P CA 0.318 63.302 63.100 -0.192 0.000 0.775 159 P CB 0.173 31.822 31.700 -0.085 0.000 0.854 160 L N 1.245 122.419 121.223 -0.081 0.000 2.446 160 L HA 0.008 4.347 4.340 -0.001 0.000 0.219 160 L C 1.114 177.969 176.870 -0.026 0.000 1.116 160 L CA 0.949 55.757 54.840 -0.054 0.000 0.844 160 L CB -0.406 41.627 42.059 -0.044 0.000 0.970 160 L HN 0.431 nan 8.230 nan 0.000 0.457 161 D N -0.165 120.227 120.400 -0.014 0.000 2.469 161 D HA 0.072 4.712 4.640 -0.001 0.000 0.215 161 D C 0.229 176.540 176.300 0.017 0.000 1.154 161 D CA -0.104 53.897 54.000 0.003 0.000 0.832 161 D CB 0.335 41.138 40.800 0.004 0.000 1.008 161 D HN 0.335 nan 8.370 nan 0.000 0.506 162 K N -1.032 119.383 120.400 0.026 0.000 2.597 162 K HA 0.389 4.709 4.320 -0.001 0.000 0.282 162 K C -1.426 175.218 176.600 0.073 0.000 0.975 162 K CA -0.879 55.438 56.287 0.051 0.000 0.867 162 K CB 1.359 33.900 32.500 0.067 0.000 1.465 162 K HN -0.262 nan 8.250 nan 0.000 0.417 163 D N 0.256 120.706 120.400 0.083 0.000 2.361 163 D HA 0.330 4.969 4.640 -0.001 0.000 0.239 163 D C -1.387 175.032 176.300 0.198 0.000 1.200 163 D CA 0.277 54.342 54.000 0.109 0.000 0.915 163 D CB 0.471 41.318 40.800 0.079 0.000 1.170 163 D HN 0.418 nan 8.370 nan 0.000 0.444 164 F N 0.118 120.067 119.950 -0.001 0.000 2.604 164 F HA 0.571 5.098 4.527 -0.001 0.000 0.316 164 F C 0.137 176.025 175.800 0.148 0.000 1.136 164 F CA -0.196 57.805 58.000 0.002 0.000 0.989 164 F CB 1.740 40.631 39.000 -0.182 0.000 1.258 164 F HN 0.351 nan 8.300 nan 0.000 0.451 165 G N 3.853 112.610 108.800 -0.071 0.000 3.135 165 G HA2 0.378 4.338 3.960 -0.001 0.000 0.278 165 G HA3 0.378 4.338 3.960 -0.001 0.000 0.278 165 G C 0.194 175.083 174.900 -0.019 0.000 1.302 165 G CA -0.786 44.343 45.100 0.049 0.000 0.880 165 G HN 0.668 nan 8.290 nan 0.000 0.574 166 L N -0.561 120.665 121.223 0.005 0.000 2.046 166 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 166 L C 2.904 179.779 176.870 0.007 0.000 1.077 166 L CA 1.525 56.378 54.840 0.023 0.000 0.747 166 L CB -0.250 41.841 42.059 0.054 0.000 0.896 166 L HN 0.521 nan 8.230 nan 0.000 0.432 167 M N -0.079 119.519 119.600 -0.003 0.000 2.213 167 M HA -0.191 4.288 4.480 -0.001 0.000 0.263 167 M C 1.677 177.949 176.300 -0.045 0.000 1.062 167 M CA 1.714 57.033 55.300 0.031 0.000 1.105 167 M CB -0.383 32.246 32.600 0.048 0.000 1.385 167 M HN 0.141 nan 8.290 nan 0.000 0.417 168 D N -0.206 120.042 120.400 -0.253 0.000 2.117 168 D HA -0.166 4.474 4.640 -0.001 0.000 0.198 168 D C 1.682 177.803 176.300 -0.298 0.000 0.982 168 D CA 1.163 54.853 54.000 -0.517 0.000 0.828 168 D CB -0.603 39.300 40.800 -1.495 0.000 0.967 168 D HN 0.527 nan 8.370 nan 0.000 0.464 169 N N 1.002 119.616 118.700 -0.143 0.000 2.069 169 N HA -0.146 4.593 4.740 -0.001 0.000 0.191 169 N C 1.927 177.439 175.510 0.002 0.000 1.031 169 N CA 1.270 54.379 53.050 0.098 0.000 0.852 169 N CB -0.058 38.529 38.487 0.166 0.000 1.018 169 N HN 0.081 nan 8.380 nan 0.000 0.423 170 A N 1.857 124.644 122.820 -0.056 0.000 1.883 170 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 170 A C 2.245 179.601 177.584 -0.380 0.000 1.186 170 A CA 1.404 53.315 52.037 -0.210 0.000 0.624 170 A CB -0.680 18.227 19.000 -0.155 0.000 0.822 170 A HN 0.269 nan 8.150 nan 0.000 0.444 171 R N -0.472 119.939 120.500 -0.148 0.000 2.091 171 R HA -0.115 4.225 4.340 -0.001 0.000 0.238 171 R C 1.980 178.264 176.300 -0.027 0.000 1.136 171 R CA 1.857 57.952 56.100 -0.008 0.000 0.959 171 R CB -0.455 29.947 30.300 0.170 0.000 0.856 171 R HN 0.320 nan 8.270 nan 0.000 0.437 172 V N 0.286 120.205 119.914 0.009 0.000 2.295 172 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 172 V C 2.409 178.476 176.094 -0.045 0.000 1.049 172 V CA 1.700 64.023 62.300 0.039 0.000 1.024 172 V CB -0.246 31.664 31.823 0.145 0.000 0.648 172 V HN 0.204 nan 8.190 nan 0.000 0.447 173 V N 0.588 120.444 119.914 -0.097 0.000 2.287 173 V HA -0.336 3.784 4.120 -0.001 0.000 0.248 173 V C 2.295 178.238 176.094 -0.252 0.000 1.053 173 V CA 2.577 64.775 62.300 -0.170 0.000 1.027 173 V CB -0.751 30.969 31.823 -0.170 0.000 0.646 173 V HN 0.733 nan 8.190 nan 0.000 0.447 174 D N -0.821 119.426 120.400 -0.255 0.000 2.144 174 D HA -0.250 4.390 4.640 -0.001 0.000 0.199 174 D C 2.126 178.386 176.300 -0.067 0.000 0.984 174 D CA 1.345 55.253 54.000 -0.153 0.000 0.834 174 D CB -0.045 40.651 40.800 -0.174 0.000 0.955 174 D HN 0.374 nan 8.370 nan 0.000 0.465 175 Q N -0.236 119.531 119.800 -0.055 0.000 2.079 175 Q HA -0.061 4.279 4.340 -0.001 0.000 0.200 175 Q C 2.003 177.942 176.000 -0.103 0.000 0.974 175 Q CA 0.928 56.714 55.803 -0.029 0.000 0.840 175 Q CB -0.567 28.176 28.738 0.009 0.000 0.898 175 Q HN 0.434 nan 8.270 nan 0.000 0.430 176 L N -0.516 120.612 121.223 -0.159 0.000 2.012 176 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 176 L C 1.920 178.597 176.870 -0.322 0.000 1.073 176 L CA 1.876 56.559 54.840 -0.261 0.000 0.748 176 L CB -0.533 41.337 42.059 -0.314 0.000 0.891 176 L HN 0.281 nan 8.230 nan 0.000 0.431 177 M N -0.683 118.736 119.600 -0.303 0.000 2.159 177 M HA -0.201 4.278 4.480 -0.001 0.000 0.263 177 M C 2.251 178.469 176.300 -0.138 0.000 1.063 177 M CA 1.611 56.777 55.300 -0.223 0.000 1.110 177 M CB -1.080 31.164 32.600 -0.593 0.000 1.374 177 M HN 0.286 nan 8.290 nan 0.000 0.411 178 K N 0.082 120.429 120.400 -0.089 0.000 2.097 178 K HA -0.150 4.170 4.320 -0.001 0.000 0.205 178 K C 1.575 178.072 176.600 -0.173 0.000 1.050 178 K CA 1.207 57.461 56.287 -0.054 0.000 0.938 178 K CB -0.095 32.418 32.500 0.022 0.000 0.718 178 K HN 0.230 nan 8.250 nan 0.000 0.442 179 D N 0.878 121.152 120.400 -0.210 0.000 2.178 179 D HA -0.107 4.532 4.640 -0.001 0.000 0.202 179 D C 1.556 177.619 176.300 -0.396 0.000 0.974 179 D CA 0.963 54.823 54.000 -0.232 0.000 0.841 179 D CB 0.014 40.704 40.800 -0.183 0.000 0.953 179 D HN 0.127 nan 8.370 nan 0.000 0.478 180 L N -0.796 120.056 121.223 -0.618 0.000 2.599 180 L HA 0.169 4.508 4.340 -0.001 0.000 0.230 180 L C 1.356 177.477 176.870 -1.247 0.000 1.141 180 L CA 0.456 54.695 54.840 -1.002 0.000 0.877 180 L CB 0.065 41.474 42.059 -1.082 0.000 1.009 180 L HN 0.159 nan 8.230 nan 0.000 0.447 181 G N -0.849 107.440 108.800 -0.851 0.000 2.148 181 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.203 181 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.203 181 G C 0.312 175.013 174.900 -0.332 0.000 0.993 181 G CA -0.419 44.339 45.100 -0.571 0.000 0.661 181 G HN 0.343 nan 8.290 nan 0.000 0.518 182 F N 1.224 121.153 119.950 -0.036 0.000 2.668 182 F HA 0.376 4.903 4.527 -0.001 0.000 0.297 182 F C 2.176 178.085 175.800 0.183 0.000 1.124 182 F CA -0.031 58.017 58.000 0.081 0.000 1.353 182 F CB 0.726 39.771 39.000 0.075 0.000 0.992 182 F HN 0.188 nan 8.300 nan 0.000 0.524 183 G N 0.366 109.307 108.800 0.235 0.000 2.498 183 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.219 183 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.219 183 G C 1.678 176.686 174.900 0.179 0.000 1.119 183 G CA 1.117 46.337 45.100 0.201 0.000 0.766 183 G HN 0.447 nan 8.290 nan 0.000 0.552 184 S N -0.876 114.939 115.700 0.192 0.000 2.562 184 S HA 0.474 4.943 4.470 -0.001 0.000 0.221 184 S C 0.890 175.589 174.600 0.164 0.000 0.975 184 S CA 0.472 58.760 58.200 0.147 0.000 0.918 184 S CB 0.225 63.507 63.200 0.136 0.000 0.772 184 S HN 1.241 nan 8.310 nan 0.000 0.531 185 G N 0.371 109.328 108.800 0.262 0.000 2.282 185 G HA2 0.412 4.371 3.960 -0.001 0.000 0.274 185 G HA3 0.412 4.371 3.960 -0.001 0.000 0.274 185 G C -1.292 173.863 174.900 0.426 0.000 1.718 185 G CA -0.626 44.635 45.100 0.268 0.000 0.927 185 G HN 0.695 nan 8.290 nan 0.000 0.733 186 Y N -0.300 120.160 120.300 0.266 0.000 2.655 186 Y HA 0.861 5.411 4.550 -0.001 0.000 0.336 186 Y C -0.667 175.297 175.900 0.106 0.000 1.154 186 Y CA -1.948 56.198 58.100 0.078 0.000 1.055 186 Y CB 1.269 39.707 38.460 -0.037 0.000 1.295 186 Y HN 0.584 nan 8.280 nan 0.000 0.465 187 I N 2.993 123.669 120.570 0.178 0.000 2.562 187 I HA 0.402 4.571 4.170 -0.001 0.000 0.301 187 I C -0.819 175.402 176.117 0.172 0.000 1.003 187 I CA -1.125 60.263 61.300 0.146 0.000 1.127 187 I CB 1.863 39.877 38.000 0.025 0.000 1.304 187 I HN 0.455 nan 8.210 nan 0.000 0.446 188 I N 4.417 125.094 120.570 0.178 0.000 2.441 188 I HA 0.323 4.493 4.170 -0.001 0.000 0.295 188 I C -0.228 175.928 176.117 0.065 0.000 0.994 188 I CA -0.544 60.820 61.300 0.106 0.000 1.144 188 I CB 1.577 39.656 38.000 0.132 0.000 1.314 188 I HN 0.516 nan 8.210 nan 0.000 0.445 189 Q N 4.201 123.996 119.800 -0.009 0.000 2.322 189 Q HA 0.678 5.018 4.340 -0.001 0.000 0.265 189 Q C -0.756 175.277 176.000 0.055 0.000 0.985 189 Q CA -0.499 55.326 55.803 0.037 0.000 0.849 189 Q CB 2.211 30.933 28.738 -0.026 0.000 1.274 189 Q HN 0.902 nan 8.270 nan 0.000 0.449 190 G N 1.211 110.071 108.800 0.100 0.000 2.719 190 G HA2 0.689 4.649 3.960 -0.001 0.000 0.298 190 G HA3 0.689 4.649 3.960 -0.001 0.000 0.298 190 G C -1.021 173.930 174.900 0.085 0.000 1.433 190 G CA -0.255 44.907 45.100 0.103 0.000 1.034 190 G HN 0.604 nan 8.290 nan 0.000 0.517 191 G N 0.226 109.091 108.800 0.109 0.000 2.630 191 G HA2 0.634 4.593 3.960 -0.001 0.000 0.296 191 G HA3 0.634 4.593 3.960 -0.001 0.000 0.296 191 G C -0.264 174.682 174.900 0.076 0.000 1.285 191 G CA 0.509 45.622 45.100 0.022 0.000 0.958 191 G HN 0.944 nan 8.290 nan 0.000 0.479 192 D N -1.321 119.123 120.400 0.075 0.000 3.321 192 D HA -0.283 4.356 4.640 -0.001 0.000 0.178 192 D C 1.877 178.359 176.300 0.304 0.000 1.208 192 D CA 2.075 56.210 54.000 0.225 0.000 1.074 192 D CB -0.820 40.128 40.800 0.247 0.000 0.560 192 D HN 0.293 nan 8.370 nan 0.000 0.618 193 I N -0.106 120.604 120.570 0.232 0.000 2.335 193 I HA -0.119 4.050 4.170 -0.001 0.000 0.251 193 I C 2.450 178.677 176.117 0.183 0.000 1.129 193 I CA 1.478 62.862 61.300 0.140 0.000 1.402 193 I CB -0.695 37.326 38.000 0.035 0.000 1.069 193 I HN 0.486 nan 8.210 nan 0.000 0.424 194 G N 0.457 109.332 108.800 0.124 0.000 2.479 194 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.220 194 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.220 194 G C 1.769 176.741 174.900 0.121 0.000 1.115 194 G CA 1.087 46.239 45.100 0.087 0.000 0.757 194 G HN 0.540 nan 8.290 nan 0.000 0.560 195 S N -0.117 115.684 115.700 0.169 0.000 2.425 195 S HA 0.082 4.552 4.470 -0.001 0.000 0.225 195 S C 1.991 176.629 174.600 0.063 0.000 1.024 195 S CA 0.440 58.700 58.200 0.101 0.000 0.951 195 S CB -0.446 62.797 63.200 0.071 0.000 0.796 195 S HN 0.170 nan 8.310 nan 0.000 0.498 196 F N 2.168 122.131 119.950 0.022 0.000 2.102 196 F HA 0.017 4.544 4.527 -0.001 0.000 0.298 196 F C 2.632 178.435 175.800 0.005 0.000 1.105 196 F CA 0.887 58.893 58.000 0.011 0.000 1.239 196 F CB -0.828 38.172 39.000 0.001 0.000 0.991 196 F HN 0.059 nan 8.300 nan 0.000 0.474 197 V N -0.199 119.834 119.914 0.199 0.000 2.358 197 V HA -0.210 3.909 4.120 -0.001 0.000 0.246 197 V C 2.662 178.787 176.094 0.052 0.000 1.047 197 V CA 1.963 64.320 62.300 0.094 0.000 1.035 197 V CB -1.526 30.328 31.823 0.051 0.000 0.658 197 V HN 0.470 nan 8.190 nan 0.000 0.452 198 G N -0.254 108.576 108.800 0.051 0.000 2.418 198 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.217 198 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.217 198 G C 1.700 176.610 174.900 0.017 0.000 1.158 198 G CA 0.973 46.096 45.100 0.038 0.000 0.771 198 G HN 0.446 nan 8.290 nan 0.000 0.545 199 R N 0.018 120.504 120.500 -0.022 0.000 2.083 199 R HA 0.018 4.357 4.340 -0.001 0.000 0.237 199 R C 2.543 178.838 176.300 -0.008 0.000 1.137 199 R CA 1.225 57.272 56.100 -0.087 0.000 0.951 199 R CB -0.403 29.803 30.300 -0.155 0.000 0.851 199 R HN 0.391 nan 8.270 nan 0.000 0.434 200 L N 0.666 121.923 121.223 0.057 0.000 2.083 200 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 200 L C 2.470 179.497 176.870 0.262 0.000 1.083 200 L CA 1.137 56.063 54.840 0.144 0.000 0.752 200 L CB -0.406 41.751 42.059 0.164 0.000 0.899 200 L HN 0.296 nan 8.230 nan 0.000 0.433 201 L N -0.546 120.777 121.223 0.167 0.000 2.017 201 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 201 L C 2.704 179.714 176.870 0.232 0.000 1.073 201 L CA 1.474 56.434 54.840 0.199 0.000 0.745 201 L CB -1.162 40.929 42.059 0.053 0.000 0.894 201 L HN 0.300 nan 8.230 nan 0.000 0.432 202 G N -0.533 108.336 108.800 0.114 0.000 2.418 202 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.217 202 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.217 202 G C 1.591 176.538 174.900 0.078 0.000 1.158 202 G CA 0.934 46.073 45.100 0.064 0.000 0.771 202 G HN 0.189 nan 8.290 nan 0.000 0.545 203 V N 0.675 120.637 119.914 0.079 0.000 2.307 203 V HA 0.066 4.186 4.120 -0.001 0.000 0.245 203 V C 2.645 178.793 176.094 0.090 0.000 1.045 203 V CA 2.145 64.497 62.300 0.086 0.000 1.024 203 V CB -0.322 31.539 31.823 0.063 0.000 0.651 203 V HN 0.492 nan 8.190 nan 0.000 0.449 204 G N -2.432 106.436 108.800 0.114 0.000 3.274 204 G HA2 0.235 4.194 3.960 -0.001 0.000 0.250 204 G HA3 0.235 4.194 3.960 -0.001 0.000 0.250 204 G C -0.080 174.656 174.900 -0.272 0.000 1.024 204 G CA -0.082 44.971 45.100 -0.078 0.000 0.840 204 G HN 0.352 nan 8.290 nan 0.000 0.522 205 F N 1.349 121.313 119.950 0.023 0.000 2.427 205 F HA 0.401 4.928 4.527 -0.001 0.000 0.348 205 F C 0.555 176.343 175.800 -0.019 0.000 1.125 205 F CA -1.220 56.794 58.000 0.024 0.000 0.989 205 F CB 1.995 41.038 39.000 0.072 0.000 1.165 205 F HN -0.158 nan 8.300 nan 0.000 0.442 206 D N 2.261 122.710 120.400 0.082 0.000 2.149 206 D HA -0.159 4.480 4.640 -0.001 0.000 0.198 206 D C 2.124 178.419 176.300 -0.009 0.000 0.990 206 D CA 1.400 55.414 54.000 0.024 0.000 0.839 206 D CB 0.062 40.867 40.800 0.008 0.000 0.948 206 D HN 0.577 nan 8.370 nan 0.000 0.460 207 A N -0.119 122.705 122.820 0.007 0.000 2.066 207 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 207 A C 1.345 178.592 177.584 -0.562 0.000 1.157 207 A CA 0.211 52.183 52.037 -0.108 0.000 0.670 207 A CB -0.372 18.696 19.000 0.114 0.000 0.804 207 A HN 0.377 nan 8.150 nan 0.000 0.453 208 C N 1.640 120.586 119.300 -0.589 0.000 2.540 208 C HA 0.412 4.872 4.460 -0.001 0.000 0.377 208 C C 1.294 176.146 174.990 -0.231 0.000 1.274 208 C CA -0.630 57.980 59.018 -0.680 0.000 1.718 208 C CB -0.617 26.969 27.740 -0.257 0.000 2.391 208 C HN 0.424 nan 8.230 nan 0.000 0.565 209 K N 3.721 124.032 120.400 -0.147 0.000 2.334 209 K HA 0.340 4.659 4.320 -0.001 0.000 0.195 209 K C 0.470 177.112 176.600 0.070 0.000 1.045 209 K CA 0.615 56.892 56.287 -0.017 0.000 1.004 209 K CB 0.305 32.808 32.500 0.004 0.000 0.837 209 K HN 0.795 nan 8.250 nan 0.000 0.510 210 A N 0.194 123.095 122.820 0.135 0.000 2.605 210 A HA 0.573 4.892 4.320 -0.001 0.000 0.294 210 A C -1.507 176.275 177.584 0.330 0.000 1.062 210 A CA -0.645 51.553 52.037 0.267 0.000 0.682 210 A CB 1.526 20.679 19.000 0.255 0.000 1.278 210 A HN -0.144 nan 8.150 nan 0.000 0.410 211 V N 3.129 123.284 119.914 0.402 0.000 2.577 211 V HA 0.457 4.577 4.120 -0.001 0.000 0.303 211 V C -0.643 175.543 176.094 0.153 0.000 1.042 211 V CA -0.526 61.931 62.300 0.262 0.000 0.872 211 V CB 1.728 33.632 31.823 0.135 0.000 0.998 211 V HN 0.976 nan 8.190 nan 0.000 0.423 212 H N 5.899 124.871 119.070 -0.163 0.000 2.459 212 H HA 0.711 5.267 4.556 -0.001 0.000 0.332 212 H C -1.639 173.606 175.328 -0.139 0.000 1.094 212 H CA -0.462 55.322 56.048 -0.441 0.000 1.224 212 H CB 1.625 30.963 29.762 -0.707 0.000 1.449 212 H HN 0.536 nan 8.280 nan 0.000 0.484 213 L N 3.895 124.797 121.223 -0.534 0.000 2.341 213 L HA 0.269 4.609 4.340 -0.001 0.000 0.267 213 L C 0.590 176.945 176.870 -0.859 0.000 1.009 213 L CA -0.795 53.836 54.840 -0.349 0.000 0.819 213 L CB 1.973 44.082 42.059 0.083 0.000 1.323 213 L HN 0.726 nan 8.230 nan 0.000 0.425 214 N N 1.147 119.526 118.700 -0.536 0.000 2.282 214 N HA 0.370 5.110 4.740 -0.001 0.000 0.240 214 N C -0.798 174.495 175.510 -0.360 0.000 1.182 214 N CA -0.324 52.340 53.050 -0.642 0.000 0.874 214 N CB 0.814 39.199 38.487 -0.170 0.000 1.126 214 N HN 0.338 nan 8.380 nan 0.000 0.516 215 L N -0.073 121.079 121.223 -0.118 0.000 2.493 215 L HA 0.557 4.896 4.340 -0.001 0.000 0.265 215 L C -1.703 175.401 176.870 0.390 0.000 0.954 215 L CA -0.813 54.140 54.840 0.189 0.000 0.844 215 L CB 2.117 44.231 42.059 0.091 0.000 1.302 215 L HN 0.245 nan 8.230 nan 0.000 0.405 216 C N 5.206 124.753 119.300 0.412 0.000 3.445 216 C HA 0.814 5.273 4.460 -0.001 0.000 0.213 216 C C 0.479 175.525 174.990 0.093 0.000 1.319 216 C CA -0.355 58.783 59.018 0.200 0.000 1.402 216 C CB -0.616 27.193 27.740 0.114 0.000 1.819 216 C HN 0.993 nan 8.230 nan 0.000 0.491 217 A N 6.506 129.345 122.820 0.031 0.000 2.484 217 A HA 0.605 4.924 4.320 -0.001 0.000 0.268 217 A C -0.028 177.591 177.584 0.058 0.000 1.114 217 A CA 0.504 52.596 52.037 0.090 0.000 0.780 217 A CB -0.105 19.007 19.000 0.187 0.000 1.061 217 A HN 1.132 nan 8.150 nan 0.000 0.505 218 M N 1.657 121.324 119.600 0.110 0.000 2.603 218 M HA 0.607 5.086 4.480 -0.001 0.000 0.275 218 M C -0.802 175.550 176.300 0.087 0.000 1.226 218 M CA -0.797 54.545 55.300 0.071 0.000 0.870 218 M CB 1.520 34.140 32.600 0.033 0.000 1.716 218 M HN 0.469 nan 8.290 nan 0.000 0.482 219 R N 0.989 121.480 120.500 -0.016 0.000 2.583 219 R HA 0.741 5.080 4.340 -0.001 0.000 0.268 219 R C 0.102 176.155 176.300 -0.411 0.000 1.101 219 R CA -0.137 55.910 56.100 -0.090 0.000 1.180 219 R CB 0.914 31.159 30.300 -0.091 0.000 1.128 219 R HN 0.842 nan 8.270 nan 0.000 0.568 220 A N 2.527 124.985 122.820 -0.603 0.000 2.546 220 A HA 0.160 4.479 4.320 -0.001 0.000 0.243 220 A C -2.018 175.087 177.584 -0.798 0.000 1.063 220 A CA -0.880 50.417 52.037 -1.233 0.000 0.757 220 A CB -0.487 18.164 19.000 -0.581 0.000 0.991 220 A HN 0.359 nan 8.150 nan 0.000 0.503 221 P HA 0.190 nan 4.420 nan 0.000 0.271 221 P C -1.955 175.168 177.300 -0.296 0.000 1.216 221 P CA -1.132 61.682 63.100 -0.476 0.000 0.771 221 P CB 0.206 31.649 31.700 -0.428 0.000 0.864 222 P HA -0.160 nan 4.420 nan 0.000 0.215 222 P C 0.750 177.994 177.300 -0.095 0.000 1.157 222 P CA 1.453 64.480 63.100 -0.121 0.000 0.868 222 P CB 0.120 31.767 31.700 -0.088 0.000 0.788 223 E N -0.858 119.289 120.200 -0.088 0.000 2.368 223 E HA 0.333 4.683 4.350 -0.001 0.000 0.188 223 E C 0.865 177.434 176.600 -0.053 0.000 1.061 223 E CA 0.214 56.579 56.400 -0.059 0.000 0.933 223 E CB -0.697 28.976 29.700 -0.046 0.000 1.091 223 E HN 0.167 nan 8.360 nan 0.000 0.458 224 G N 1.367 110.120 108.800 -0.079 0.000 2.750 224 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.228 224 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.228 224 G C -2.291 172.594 174.900 -0.024 0.000 1.367 224 G CA -0.613 44.461 45.100 -0.044 0.000 0.871 224 G HN 0.157 nan 8.290 nan 0.000 0.560 225 P HA 0.383 nan 4.420 nan 0.000 0.272 225 P C 0.617 178.045 177.300 0.212 0.000 1.223 225 P CA 0.470 63.645 63.100 0.125 0.000 0.784 225 P CB 0.935 32.721 31.700 0.142 0.000 0.923 226 S N 1.650 117.440 115.700 0.151 0.000 2.608 226 S HA 0.108 4.578 4.470 -0.001 0.000 0.261 226 S C 1.465 176.220 174.600 0.257 0.000 1.314 226 S CA -0.646 57.655 58.200 0.167 0.000 0.992 226 S CB 0.102 63.354 63.200 0.086 0.000 0.935 226 S HN 0.527 nan 8.310 nan 0.000 0.564 227 I N 1.032 121.760 120.570 0.262 0.000 2.264 227 I HA -0.207 3.963 4.170 -0.001 0.000 0.248 227 I C 2.535 178.696 176.117 0.073 0.000 1.111 227 I CA 1.858 63.281 61.300 0.205 0.000 1.382 227 I CB -0.342 37.774 38.000 0.194 0.000 1.060 227 I HN 0.897 nan 8.210 nan 0.000 0.418 228 E N 0.426 120.664 120.200 0.063 0.000 2.347 228 E HA -0.182 4.167 4.350 -0.001 0.000 0.196 228 E C 1.922 178.527 176.600 0.008 0.000 1.008 228 E CA 1.259 57.674 56.400 0.025 0.000 0.852 228 E CB -0.557 29.157 29.700 0.023 0.000 0.783 228 E HN 0.631 nan 8.360 nan 0.000 0.505 229 S N 0.687 116.400 115.700 0.021 0.000 2.522 229 S HA 0.055 4.525 4.470 -0.001 0.000 0.227 229 S C 1.162 175.736 174.600 -0.043 0.000 0.986 229 S CA -0.309 57.891 58.200 -0.001 0.000 0.929 229 S CB -0.517 62.697 63.200 0.023 0.000 0.769 229 S HN 0.149 nan 8.310 nan 0.000 0.529 230 L N 3.180 124.363 121.223 -0.068 0.000 2.417 230 L HA 0.326 4.666 4.340 -0.001 0.000 0.268 230 L C 0.973 177.772 176.870 -0.118 0.000 1.158 230 L CA -0.631 54.123 54.840 -0.144 0.000 0.819 230 L CB 0.752 42.672 42.059 -0.231 0.000 1.112 230 L HN 0.318 nan 8.230 nan 0.000 0.458 231 S N 1.532 117.151 115.700 -0.136 0.000 2.589 231 S HA 0.170 4.640 4.470 -0.001 0.000 0.265 231 S C 1.182 175.725 174.600 -0.095 0.000 1.342 231 S CA -0.140 57.996 58.200 -0.106 0.000 1.005 231 S CB 1.287 64.418 63.200 -0.115 0.000 0.909 231 S HN 0.712 nan 8.310 nan 0.000 0.555 232 A N 1.805 124.584 122.820 -0.068 0.000 1.940 232 A HA 0.076 4.395 4.320 -0.001 0.000 0.219 232 A C 2.391 179.942 177.584 -0.055 0.000 1.176 232 A CA 1.947 53.953 52.037 -0.053 0.000 0.631 232 A CB -1.660 17.318 19.000 -0.036 0.000 0.814 232 A HN 1.348 nan 8.150 nan 0.000 0.446 233 A N -0.356 122.427 122.820 -0.062 0.000 1.897 233 A HA -0.113 4.207 4.320 -0.001 0.000 0.215 233 A C 1.899 179.435 177.584 -0.080 0.000 1.181 233 A CA 1.513 53.518 52.037 -0.053 0.000 0.620 233 A CB -0.459 18.512 19.000 -0.048 0.000 0.821 233 A HN 0.620 nan 8.150 nan 0.000 0.443 234 E N -0.072 120.044 120.200 -0.140 0.000 2.150 234 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 234 E C 1.967 178.452 176.600 -0.192 0.000 0.985 234 E CA 1.117 57.392 56.400 -0.209 0.000 0.814 234 E CB -0.099 29.419 29.700 -0.304 0.000 0.752 234 E HN 0.535 nan 8.360 nan 0.000 0.466 235 K N 0.837 121.151 120.400 -0.144 0.000 2.097 235 K HA -0.148 4.172 4.320 -0.001 0.000 0.205 235 K C 2.014 178.578 176.600 -0.059 0.000 1.050 235 K CA 0.977 57.201 56.287 -0.105 0.000 0.938 235 K CB -0.021 32.437 32.500 -0.070 0.000 0.718 235 K HN 0.164 nan 8.250 nan 0.000 0.442 236 E N -0.050 120.126 120.200 -0.040 0.000 2.085 236 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 236 E C 2.131 178.736 176.600 0.007 0.000 0.994 236 E CA 1.147 57.542 56.400 -0.008 0.000 0.801 236 E CB -0.153 29.548 29.700 0.002 0.000 0.743 236 E HN 0.442 nan 8.360 nan 0.000 0.453 237 G N 1.542 110.343 108.800 0.003 0.000 2.421 237 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 237 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 237 G C 1.538 176.449 174.900 0.017 0.000 1.171 237 G CA 0.384 45.508 45.100 0.039 0.000 0.775 237 G HN 0.083 nan 8.290 nan 0.000 0.543 238 I N 1.993 122.536 120.570 -0.045 0.000 2.286 238 I HA -0.134 4.035 4.170 -0.001 0.000 0.248 238 I C 3.220 179.360 176.117 0.038 0.000 1.115 238 I CA 1.118 62.404 61.300 -0.023 0.000 1.392 238 I CB -1.310 36.631 38.000 -0.098 0.000 1.065 238 I HN 0.260 nan 8.210 nan 0.000 0.418 239 A N 0.881 123.716 122.820 0.025 0.000 1.902 239 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 239 A C 2.483 180.102 177.584 0.059 0.000 1.181 239 A CA 1.262 53.323 52.037 0.041 0.000 0.623 239 A CB -0.509 18.507 19.000 0.026 0.000 0.818 239 A HN 0.331 nan 8.150 nan 0.000 0.443 240 R N -1.331 119.203 120.500 0.057 0.000 2.075 240 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 240 R C 2.349 178.715 176.300 0.111 0.000 1.126 240 R CA 1.576 57.718 56.100 0.070 0.000 0.963 240 R CB -0.432 29.898 30.300 0.050 0.000 0.858 240 R HN 0.688 nan 8.270 nan 0.000 0.435 241 M N 0.813 120.480 119.600 0.111 0.000 2.117 241 M HA -0.170 4.310 4.480 -0.001 0.000 0.262 241 M C 2.076 178.497 176.300 0.203 0.000 1.065 241 M CA 1.657 57.057 55.300 0.168 0.000 1.114 241 M CB 0.024 32.717 32.600 0.154 0.000 1.361 241 M HN 0.003 nan 8.290 nan 0.000 0.408 242 E N 0.575 120.860 120.200 0.143 0.000 2.106 242 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 242 E C 1.900 178.561 176.600 0.102 0.000 0.984 242 E CA 1.073 57.543 56.400 0.118 0.000 0.806 242 E CB -0.182 29.573 29.700 0.092 0.000 0.750 242 E HN 0.515 nan 8.360 nan 0.000 0.458 243 K N -0.207 120.258 120.400 0.108 0.000 2.097 243 K HA -0.148 4.171 4.320 -0.001 0.000 0.205 243 K C 2.174 178.846 176.600 0.120 0.000 1.050 243 K CA 0.839 57.182 56.287 0.093 0.000 0.938 243 K CB -0.290 32.261 32.500 0.084 0.000 0.718 243 K HN 0.043 nan 8.250 nan 0.000 0.442 244 F N 1.676 121.649 119.950 0.038 0.000 2.102 244 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 244 F C 2.067 177.906 175.800 0.065 0.000 1.105 244 F CA 1.422 59.450 58.000 0.047 0.000 1.239 244 F CB -0.153 38.856 39.000 0.015 0.000 0.991 244 F HN -0.019 nan 8.300 nan 0.000 0.474 245 M N 0.282 119.863 119.600 -0.031 0.000 2.159 245 M HA -0.140 4.339 4.480 -0.001 0.000 0.263 245 M C 2.199 178.418 176.300 -0.136 0.000 1.063 245 M CA 2.135 57.363 55.300 -0.120 0.000 1.110 245 M CB -1.897 30.727 32.600 0.039 0.000 1.374 245 M HN 0.418 nan 8.290 nan 0.000 0.411 246 T N -3.840 110.675 114.554 -0.065 0.000 3.033 246 T HA -0.001 4.348 4.350 -0.001 0.000 0.248 246 T C 1.417 176.092 174.700 -0.042 0.000 1.040 246 T CA 1.148 63.225 62.100 -0.039 0.000 1.133 246 T CB -0.041 68.829 68.868 0.002 0.000 0.895 246 T HN 0.257 nan 8.240 nan 0.000 0.465 247 D N 0.799 121.176 120.400 -0.038 0.000 2.423 247 D HA 0.253 4.892 4.640 -0.001 0.000 0.208 247 D C 1.931 178.214 176.300 -0.030 0.000 1.068 247 D CA 0.440 54.432 54.000 -0.013 0.000 0.860 247 D CB -0.049 40.762 40.800 0.018 0.000 0.992 247 D HN 0.451 nan 8.370 nan 0.000 0.504 248 G N -0.305 108.426 108.800 -0.116 0.000 3.192 248 G HA2 0.142 4.101 3.960 -0.001 0.000 0.239 248 G HA3 0.142 4.101 3.960 -0.001 0.000 0.239 248 G C 0.950 175.736 174.900 -0.189 0.000 1.084 248 G CA -0.158 44.882 45.100 -0.100 0.000 0.784 248 G HN 0.258 nan 8.290 nan 0.000 0.540 249 L N 0.699 121.742 121.223 -0.300 0.000 2.640 249 L HA 0.276 4.615 4.340 -0.001 0.000 0.230 249 L C 2.694 179.419 176.870 -0.242 0.000 1.123 249 L CA 0.247 54.906 54.840 -0.301 0.000 0.900 249 L CB 0.380 42.206 42.059 -0.388 0.000 1.146 249 L HN 0.254 nan 8.230 nan 0.000 0.484 250 A N 0.625 123.388 122.820 -0.095 0.000 1.908 250 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 250 A C 2.066 179.570 177.584 -0.133 0.000 1.181 250 A CA 2.007 53.994 52.037 -0.084 0.000 0.627 250 A CB -0.760 18.230 19.000 -0.015 0.000 0.818 250 A HN 0.616 nan 8.150 nan 0.000 0.445 251 Y N -1.050 119.100 120.300 -0.250 0.000 2.114 251 Y HA -0.102 4.448 4.550 -0.001 0.000 0.282 251 Y C 2.411 178.006 175.900 -0.509 0.000 1.165 251 Y CA 1.193 59.072 58.100 -0.369 0.000 1.148 251 Y CB -0.992 37.056 38.460 -0.687 0.000 0.972 251 Y HN 0.213 nan 8.280 nan 0.000 0.504 252 A N 1.232 122.984 122.820 -1.779 0.000 1.898 252 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 252 A C 2.326 179.598 177.584 -0.521 0.000 1.181 252 A CA 1.798 53.061 52.037 -1.291 0.000 0.620 252 A CB -0.846 17.599 19.000 -0.926 0.000 0.819 252 A HN 0.639 nan 8.150 nan 0.000 0.442 253 M N -1.056 118.328 119.600 -0.360 0.000 2.082 253 M HA -0.219 4.260 4.480 -0.001 0.000 0.258 253 M C 2.195 178.445 176.300 -0.084 0.000 1.069 253 M CA 2.153 57.361 55.300 -0.153 0.000 1.102 253 M CB -0.348 32.187 32.600 -0.108 0.000 1.336 253 M HN 0.523 nan 8.290 nan 0.000 0.404 254 E N 0.025 120.186 120.200 -0.065 0.000 2.051 254 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 254 E C 1.618 178.268 176.600 0.083 0.000 0.991 254 E CA 1.804 58.241 56.400 0.061 0.000 0.799 254 E CB -0.277 29.556 29.700 0.222 0.000 0.748 254 E HN 0.601 nan 8.360 nan 0.000 0.449 255 H N -0.959 118.042 119.070 -0.115 0.000 2.352 255 H HA -0.118 4.437 4.556 -0.001 0.000 0.299 255 H C 2.227 177.478 175.328 -0.128 0.000 1.097 255 H CA 1.024 56.923 56.048 -0.249 0.000 1.311 255 H CB -0.022 29.277 29.762 -0.771 0.000 1.377 255 H HN 0.164 nan 8.280 nan 0.000 0.504 256 S N -0.104 115.626 115.700 0.051 0.000 2.345 256 S HA -0.149 4.321 4.470 -0.001 0.000 0.220 256 S C 2.439 177.063 174.600 0.041 0.000 1.031 256 S CA 1.830 60.070 58.200 0.066 0.000 0.996 256 S CB -0.314 62.914 63.200 0.046 0.000 0.882 256 S HN 0.639 nan 8.310 nan 0.000 0.445 257 T N -1.310 113.260 114.554 0.027 0.000 3.009 257 T HA 0.251 4.601 4.350 -0.001 0.000 0.258 257 T C 1.013 175.731 174.700 0.030 0.000 1.063 257 T CA 0.152 62.267 62.100 0.026 0.000 1.139 257 T CB -0.013 68.868 68.868 0.020 0.000 0.890 257 T HN 0.118 nan 8.240 nan 0.000 0.471 258 R N 1.300 121.821 120.500 0.036 0.000 2.795 258 R HA 0.295 4.634 4.340 -0.001 0.000 0.320 258 R C -2.256 174.063 176.300 0.031 0.000 1.223 258 R CA -1.884 54.238 56.100 0.037 0.000 1.305 258 R CB 0.791 31.116 30.300 0.043 0.000 1.318 258 R HN 0.340 nan 8.270 nan 0.000 0.636 259 P HA -0.141 nan 4.420 nan 0.000 0.216 259 P C 1.439 178.712 177.300 -0.046 0.000 1.150 259 P CA 1.150 64.228 63.100 -0.036 0.000 0.837 259 P CB 0.440 32.109 31.700 -0.052 0.000 0.786 260 S N -1.103 114.588 115.700 -0.017 0.000 2.355 260 S HA -0.106 4.364 4.470 -0.001 0.000 0.222 260 S C 1.991 176.624 174.600 0.055 0.000 1.031 260 S CA 1.984 60.175 58.200 -0.017 0.000 0.993 260 S CB -1.267 61.962 63.200 0.048 0.000 0.859 260 S HN 0.124 nan 8.310 nan 0.000 0.453 261 T N 2.369 116.976 114.554 0.089 0.000 2.622 261 T HA -0.098 4.252 4.350 -0.001 0.000 0.266 261 T C 1.715 176.451 174.700 0.060 0.000 1.047 261 T CA 1.635 63.798 62.100 0.104 0.000 1.159 261 T CB -0.520 68.386 68.868 0.063 0.000 0.863 261 T HN 0.381 nan 8.240 nan 0.000 0.422 262 I N 1.518 122.100 120.570 0.019 0.000 2.394 262 I HA 0.033 4.202 4.170 -0.001 0.000 0.251 262 I C 2.429 178.575 176.117 0.049 0.000 1.136 262 I CA 0.946 62.217 61.300 -0.049 0.000 1.425 262 I CB -1.023 36.940 38.000 -0.060 0.000 1.079 262 I HN 0.258 nan 8.210 nan 0.000 0.425 263 G N -0.221 108.645 108.800 0.110 0.000 2.446 263 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 263 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 263 G C 1.671 176.544 174.900 -0.045 0.000 1.168 263 G CA 1.124 46.273 45.100 0.082 0.000 0.771 263 G HN 0.477 nan 8.290 nan 0.000 0.551 264 H N -0.056 119.033 119.070 0.033 0.000 2.357 264 H HA 0.002 4.558 4.556 -0.001 0.000 0.301 264 H C 2.916 178.238 175.328 -0.009 0.000 1.082 264 H CA 1.161 57.214 56.048 0.008 0.000 1.342 264 H CB -0.566 29.196 29.762 -0.001 0.000 1.389 264 H HN 0.181 nan 8.280 nan 0.000 0.511 265 V N 1.545 121.503 119.914 0.073 0.000 2.252 265 V HA -0.252 3.867 4.120 -0.001 0.000 0.249 265 V C 2.687 178.750 176.094 -0.052 0.000 1.056 265 V CA 1.651 63.941 62.300 -0.016 0.000 1.022 265 V CB -0.592 31.171 31.823 -0.100 0.000 0.641 265 V HN 0.284 nan 8.190 nan 0.000 0.445 266 L N -0.548 120.581 121.223 -0.157 0.000 2.492 266 L HA 0.007 4.346 4.340 -0.001 0.000 0.223 266 L C 2.261 179.173 176.870 0.069 0.000 1.132 266 L CA 0.658 55.390 54.840 -0.179 0.000 0.850 266 L CB -0.355 41.305 42.059 -0.664 0.000 0.966 266 L HN 0.276 nan 8.230 nan 0.000 0.454 267 S N -0.421 115.332 115.700 0.087 0.000 2.496 267 S HA -0.078 4.392 4.470 -0.001 0.000 0.224 267 S C 2.156 176.877 174.600 0.201 0.000 0.996 267 S CA 1.013 59.271 58.200 0.097 0.000 0.927 267 S CB 0.074 63.276 63.200 0.003 0.000 0.774 267 S HN 0.579 nan 8.310 nan 0.000 0.524 268 S N 0.578 116.397 115.700 0.200 0.000 2.414 268 S HA 0.114 4.583 4.470 -0.001 0.000 0.227 268 S C 0.828 175.580 174.600 0.253 0.000 1.022 268 S CA 0.310 58.621 58.200 0.185 0.000 0.958 268 S CB -0.016 63.246 63.200 0.103 0.000 0.797 268 S HN 0.269 nan 8.310 nan 0.000 0.493 269 S N 0.963 116.810 115.700 0.245 0.000 2.546 269 S HA 0.532 5.002 4.470 -0.001 0.000 0.272 269 S C -2.561 171.932 174.600 -0.179 0.000 1.140 269 S CA -1.454 56.761 58.200 0.026 0.000 0.920 269 S CB 1.965 65.152 63.200 -0.023 0.000 1.083 269 S HN 0.004 nan 8.310 nan 0.000 0.476 270 P HA -0.005 nan 4.420 nan 0.000 0.223 270 P C 1.418 178.611 177.300 -0.177 0.000 1.151 270 P CA 0.589 63.147 63.100 -0.903 0.000 0.787 270 P CB 0.014 30.733 31.700 -1.636 0.000 0.788 271 I N 0.062 120.548 120.570 -0.141 0.000 2.406 271 I HA -0.096 4.073 4.170 -0.001 0.000 0.249 271 I C 2.463 178.626 176.117 0.076 0.000 1.122 271 I CA 0.973 62.295 61.300 0.037 0.000 1.431 271 I CB -1.680 36.308 38.000 -0.021 0.000 1.087 271 I HN -0.082 nan 8.210 nan 0.000 0.424 272 A N 1.105 123.954 122.820 0.048 0.000 1.873 272 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 272 A C 2.335 179.987 177.584 0.113 0.000 1.193 272 A CA 1.790 53.873 52.037 0.077 0.000 0.629 272 A CB -1.059 17.967 19.000 0.042 0.000 0.826 272 A HN 0.362 nan 8.150 nan 0.000 0.447 273 L N -0.875 120.419 121.223 0.119 0.000 2.012 273 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 273 L C 2.315 179.293 176.870 0.180 0.000 1.073 273 L CA 2.135 57.067 54.840 0.154 0.000 0.748 273 L CB -0.611 41.611 42.059 0.273 0.000 0.891 273 L HN 0.406 nan 8.230 nan 0.000 0.431 274 L N -0.252 121.071 121.223 0.166 0.000 2.012 274 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 274 L C 2.503 179.490 176.870 0.195 0.000 1.073 274 L CA 2.183 57.081 54.840 0.097 0.000 0.748 274 L CB -1.164 40.905 42.059 0.018 0.000 0.891 274 L HN 0.285 nan 8.230 nan 0.000 0.431 275 A N -0.864 122.091 122.820 0.225 0.000 1.865 275 A HA -0.285 4.035 4.320 -0.001 0.000 0.217 275 A C 2.306 180.008 177.584 0.197 0.000 1.191 275 A CA 1.914 54.099 52.037 0.246 0.000 0.623 275 A CB -1.504 17.626 19.000 0.217 0.000 0.826 275 A HN 0.780 nan 8.150 nan 0.000 0.444 276 W N 0.295 121.613 121.300 0.029 0.000 2.379 276 W HA -0.120 4.539 4.660 -0.001 0.000 0.307 276 W C 1.872 178.392 176.519 0.003 0.000 1.200 276 W CA 1.784 59.145 57.345 0.028 0.000 1.297 276 W CB -0.225 29.256 29.460 0.035 0.000 1.140 276 W HN 0.324 nan 8.180 nan 0.000 0.507 277 I N 0.337 121.047 120.570 0.232 0.000 2.333 277 I HA -0.118 4.052 4.170 -0.001 0.000 0.246 277 I C 2.725 178.776 176.117 -0.109 0.000 1.106 277 I CA 1.232 62.522 61.300 -0.016 0.000 1.411 277 I CB -1.234 36.738 38.000 -0.048 0.000 1.082 277 I HN -0.057 nan 8.210 nan 0.000 0.420 278 G N 0.500 109.303 108.800 0.005 0.000 2.469 278 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.219 278 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.219 278 G C 1.517 176.222 174.900 -0.325 0.000 1.150 278 G CA 0.966 46.066 45.100 0.001 0.000 0.763 278 G HN 0.440 nan 8.290 nan 0.000 0.561 279 E N 0.259 120.235 120.200 -0.373 0.000 2.097 279 E HA -0.209 4.140 4.350 -0.001 0.000 0.196 279 E C 2.265 178.515 176.600 -0.584 0.000 1.000 279 E CA 1.194 57.299 56.400 -0.491 0.000 0.804 279 E CB 0.026 29.474 29.700 -0.420 0.000 0.740 279 E HN 0.229 nan 8.360 nan 0.000 0.454 280 K N -0.200 119.747 120.400 -0.756 0.000 2.116 280 K HA -0.108 4.212 4.320 -0.001 0.000 0.203 280 K C 1.967 178.107 176.600 -0.767 0.000 1.052 280 K CA 1.002 56.517 56.287 -1.287 0.000 0.952 280 K CB -0.734 30.588 32.500 -1.964 0.000 0.729 280 K HN 0.345 nan 8.250 nan 0.000 0.446 281 Y N 1.247 121.279 120.300 -0.447 0.000 2.403 281 Y HA -0.079 4.471 4.550 -0.001 0.000 0.291 281 Y C 2.159 177.920 175.900 -0.232 0.000 1.143 281 Y CA 0.627 58.550 58.100 -0.295 0.000 1.257 281 Y CB -0.161 38.062 38.460 -0.395 0.000 0.984 281 Y HN -0.083 nan 8.280 nan 0.000 0.550 282 L N -0.945 120.156 121.223 -0.203 0.000 2.102 282 L HA -0.157 4.183 4.340 -0.001 0.000 0.202 282 L C 2.056 178.837 176.870 -0.148 0.000 1.076 282 L CA 1.197 55.892 54.840 -0.241 0.000 0.761 282 L CB -0.378 41.391 42.059 -0.483 0.000 0.921 282 L HN 0.192 nan 8.230 nan 0.000 0.444 283 Q N -1.381 118.315 119.800 -0.173 0.000 2.354 283 Q HA -0.088 4.252 4.340 -0.001 0.000 0.203 283 Q C 1.646 177.774 176.000 0.214 0.000 0.933 283 Q CA 0.674 56.462 55.803 -0.024 0.000 0.901 283 Q CB 0.188 28.900 28.738 -0.043 0.000 1.007 283 Q HN 0.495 nan 8.270 nan 0.000 0.495 284 W N 0.977 122.242 121.300 -0.058 0.000 3.197 284 W HA 0.148 4.807 4.660 -0.001 0.000 0.274 284 W C 0.822 177.362 176.519 0.035 0.000 1.297 284 W CA -0.516 56.786 57.345 -0.072 0.000 1.662 284 W CB -0.224 29.117 29.460 -0.199 0.000 1.106 284 W HN -0.149 nan 8.180 nan 0.000 0.663 285 V N -1.350 118.739 119.914 0.292 0.000 3.134 285 V HA 0.395 4.514 4.120 -0.001 0.000 0.313 285 V C 1.098 177.246 176.094 0.091 0.000 1.069 285 V CA -0.416 62.008 62.300 0.207 0.000 1.048 285 V CB 1.534 33.462 31.823 0.175 0.000 1.119 285 V HN -0.171 nan 8.190 nan 0.000 0.461 286 D N 0.670 121.101 120.400 0.052 0.000 2.178 286 D HA 0.037 4.676 4.640 -0.001 0.000 0.217 286 D C 0.615 176.926 176.300 0.019 0.000 0.992 286 D CA 1.096 55.111 54.000 0.026 0.000 0.895 286 D CB 0.150 40.959 40.800 0.015 0.000 1.031 286 D HN 0.581 nan 8.370 nan 0.000 0.453 287 K N 1.359 121.766 120.400 0.011 0.000 2.174 287 K HA 0.381 4.701 4.320 -0.001 0.000 0.275 287 K C -2.268 174.332 176.600 0.000 0.000 1.015 287 K CA -2.001 54.288 56.287 0.003 0.000 0.933 287 K CB 0.514 33.013 32.500 -0.003 0.000 1.025 287 K HN 0.118 nan 8.250 nan 0.000 0.463 288 P HA 0.052 nan 4.420 nan 0.000 0.265 288 P C -0.122 177.163 177.300 -0.025 0.000 1.193 288 P CA 0.070 63.161 63.100 -0.015 0.000 0.765 288 P CB 0.388 32.079 31.700 -0.014 0.000 0.823 289 L N 5.328 126.527 121.223 -0.040 0.000 2.453 289 L HA 0.285 4.624 4.340 -0.001 0.000 0.261 289 L C -1.658 175.167 176.870 -0.076 0.000 1.179 289 L CA -1.907 52.887 54.840 -0.077 0.000 0.813 289 L CB -0.294 41.683 42.059 -0.137 0.000 1.110 289 L HN 0.281 nan 8.230 nan 0.000 0.466 290 P HA 0.047 nan 4.420 nan 0.000 0.266 290 P C 0.247 177.479 177.300 -0.113 0.000 1.195 290 P CA 0.063 63.111 63.100 -0.086 0.000 0.768 290 P CB 0.713 32.358 31.700 -0.092 0.000 0.838 291 S N 1.311 116.958 115.700 -0.089 0.000 2.383 291 S HA -0.163 4.306 4.470 -0.001 0.000 0.229 291 S C 1.611 176.090 174.600 -0.200 0.000 1.030 291 S CA 1.143 59.272 58.200 -0.118 0.000 1.002 291 S CB -0.398 62.733 63.200 -0.115 0.000 0.829 291 S HN 0.550 nan 8.310 nan 0.000 0.467 292 E N 0.781 120.885 120.200 -0.161 0.000 2.153 292 E HA -0.091 4.258 4.350 -0.001 0.000 0.194 292 E C 2.180 178.638 176.600 -0.237 0.000 0.988 292 E CA 1.064 57.374 56.400 -0.150 0.000 0.811 292 E CB -0.594 29.057 29.700 -0.081 0.000 0.746 292 E HN 0.461 nan 8.360 nan 0.000 0.466 293 T N 1.625 116.018 114.554 -0.267 0.000 2.746 293 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 293 T C 2.104 176.480 174.700 -0.541 0.000 1.039 293 T CA 0.894 62.773 62.100 -0.369 0.000 1.142 293 T CB -0.168 68.513 68.868 -0.312 0.000 0.866 293 T HN 0.136 nan 8.240 nan 0.000 0.444 294 I N 0.749 121.000 120.570 -0.531 0.000 2.179 294 I HA -0.151 4.019 4.170 -0.001 0.000 0.242 294 I C 2.332 178.065 176.117 -0.641 0.000 1.088 294 I CA 1.266 62.174 61.300 -0.653 0.000 1.357 294 I CB -0.465 37.311 38.000 -0.374 0.000 1.051 294 I HN 0.204 nan 8.210 nan 0.000 0.409 295 L N 0.349 121.191 121.223 -0.634 0.000 2.046 295 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 295 L C 2.526 178.990 176.870 -0.677 0.000 1.077 295 L CA 1.544 55.838 54.840 -0.909 0.000 0.747 295 L CB -0.593 40.891 42.059 -0.958 0.000 0.896 295 L HN 0.286 nan 8.230 nan 0.000 0.432 296 E N -0.510 119.423 120.200 -0.445 0.000 2.051 296 E HA -0.237 4.113 4.350 -0.001 0.000 0.192 296 E C 2.310 178.631 176.600 -0.465 0.000 0.991 296 E CA 1.282 57.353 56.400 -0.548 0.000 0.799 296 E CB -0.034 28.931 29.700 -1.225 0.000 0.748 296 E HN 0.335 nan 8.360 nan 0.000 0.449 297 M N 0.256 119.560 119.600 -0.494 0.000 2.099 297 M HA -0.120 4.359 4.480 -0.001 0.000 0.262 297 M C 2.473 178.681 176.300 -0.153 0.000 1.067 297 M CA 1.099 56.209 55.300 -0.317 0.000 1.124 297 M CB -0.887 31.346 32.600 -0.611 0.000 1.353 297 M HN 0.045 nan 8.290 nan 0.000 0.410 298 V N 0.091 119.846 119.914 -0.265 0.000 2.295 298 V HA -0.247 3.872 4.120 -0.001 0.000 0.246 298 V C 2.511 178.716 176.094 0.185 0.000 1.049 298 V CA 1.963 64.203 62.300 -0.100 0.000 1.024 298 V CB -0.962 30.696 31.823 -0.276 0.000 0.648 298 V HN 0.436 nan 8.190 nan 0.000 0.447 299 S N 0.077 115.874 115.700 0.162 0.000 2.368 299 S HA -0.200 4.270 4.470 -0.001 0.000 0.225 299 S C 1.897 176.752 174.600 0.425 0.000 1.030 299 S CA 1.794 60.224 58.200 0.383 0.000 0.999 299 S CB -0.485 62.969 63.200 0.424 0.000 0.844 299 S HN 0.457 nan 8.310 nan 0.000 0.459 300 L N 0.778 122.345 121.223 0.573 0.000 1.990 300 L HA -0.145 4.195 4.340 -0.001 0.000 0.213 300 L C 2.005 179.130 176.870 0.424 0.000 1.072 300 L CA 1.910 57.129 54.840 0.631 0.000 0.755 300 L CB -0.957 41.518 42.059 0.692 0.000 0.889 300 L HN 0.218 nan 8.230 nan 0.000 0.432 301 Y N -1.031 119.400 120.300 0.219 0.000 2.165 301 Y HA -0.317 4.232 4.550 -0.001 0.000 0.286 301 Y C 2.430 178.452 175.900 0.204 0.000 1.155 301 Y CA 1.882 60.099 58.100 0.195 0.000 1.164 301 Y CB -0.985 37.614 38.460 0.231 0.000 0.978 301 Y HN 0.449 nan 8.280 nan 0.000 0.513 302 W N 0.384 121.828 121.300 0.239 0.000 2.355 302 W HA -0.210 4.449 4.660 -0.001 0.000 0.309 302 W C 1.444 177.983 176.519 0.034 0.000 1.206 302 W CA 1.582 59.002 57.345 0.125 0.000 1.284 302 W CB -0.549 28.977 29.460 0.110 0.000 1.145 302 W HN 0.081 nan 8.180 nan 0.000 0.502 303 L N 0.882 122.168 121.223 0.105 0.000 2.376 303 L HA -0.124 4.216 4.340 -0.001 0.000 0.219 303 L C 2.180 178.998 176.870 -0.087 0.000 1.133 303 L CA 1.646 56.451 54.840 -0.058 0.000 0.816 303 L CB -0.657 41.328 42.059 -0.124 0.000 0.933 303 L HN -0.000 nan 8.230 nan 0.000 0.449 304 T N -5.222 109.276 114.554 -0.094 0.000 3.044 304 T HA 0.138 4.488 4.350 -0.001 0.000 0.260 304 T C 0.542 175.140 174.700 -0.170 0.000 1.019 304 T CA -0.385 61.624 62.100 -0.151 0.000 0.921 304 T CB 0.049 68.735 68.868 -0.305 0.000 1.053 304 T HN 0.272 nan 8.240 nan 0.000 0.533 305 E N 1.067 121.151 120.200 -0.193 0.000 2.269 305 E HA -0.210 4.140 4.350 -0.001 0.000 0.223 305 E C 0.803 177.311 176.600 -0.154 0.000 1.244 305 E CA 0.335 56.621 56.400 -0.190 0.000 0.713 305 E CB -1.687 27.890 29.700 -0.205 0.000 1.178 305 E HN 0.520 nan 8.360 nan 0.000 0.370 306 S N -0.618 114.972 115.700 -0.183 0.000 2.368 306 S HA -0.117 4.353 4.470 -0.001 0.000 0.224 306 S C 1.292 175.751 174.600 -0.236 0.000 1.029 306 S CA 1.083 59.073 58.200 -0.349 0.000 0.988 306 S CB -0.154 62.546 63.200 -0.833 0.000 0.838 306 S HN 0.507 nan 8.310 nan 0.000 0.462 307 F N 3.984 123.883 119.950 -0.085 0.000 2.065 307 F HA -0.100 4.426 4.527 -0.001 0.000 0.298 307 F C -0.868 174.906 175.800 -0.043 0.000 1.112 307 F CA 1.459 59.526 58.000 0.113 0.000 1.212 307 F CB -1.077 38.090 39.000 0.279 0.000 0.975 307 F HN 0.183 nan 8.300 nan 0.000 0.476 308 P HA -0.130 nan 4.420 nan 0.000 0.223 308 P C 0.988 178.124 177.300 -0.273 0.000 1.151 308 P CA 1.562 64.526 63.100 -0.225 0.000 0.787 308 P CB -0.217 31.407 31.700 -0.127 0.000 0.788 309 R N -0.303 120.053 120.500 -0.241 0.000 2.140 309 R HA 0.200 4.540 4.340 -0.001 0.000 0.213 309 R C 2.357 178.568 176.300 -0.149 0.000 1.059 309 R CA 0.998 56.984 56.100 -0.190 0.000 1.000 309 R CB -0.584 29.605 30.300 -0.185 0.000 0.910 309 R HN 0.111 nan 8.270 nan 0.000 0.455 310 A N 1.903 124.513 122.820 -0.350 0.000 2.016 310 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 310 A C 2.048 179.446 177.584 -0.310 0.000 1.162 310 A CA 0.610 52.331 52.037 -0.525 0.000 0.662 310 A CB -0.393 18.018 19.000 -0.981 0.000 0.812 310 A HN 0.402 nan 8.150 nan 0.000 0.450 311 I N -2.021 118.325 120.570 -0.373 0.000 3.564 311 I HA -0.049 4.121 4.170 -0.001 0.000 0.294 311 I C 1.929 177.995 176.117 -0.084 0.000 1.289 311 I CA 0.717 61.831 61.300 -0.310 0.000 1.325 311 I CB -0.801 36.667 38.000 -0.886 0.000 1.039 311 I HN 0.482 nan 8.210 nan 0.000 0.474 312 H N 1.558 120.598 119.070 -0.050 0.000 2.426 312 H HA -0.180 4.376 4.556 -0.001 0.000 0.298 312 H C 1.884 177.246 175.328 0.057 0.000 1.107 312 H CA 1.988 58.046 56.048 0.017 0.000 1.298 312 H CB -1.326 28.465 29.762 0.048 0.000 1.377 312 H HN 0.551 nan 8.280 nan 0.000 0.519 313 T N -2.116 112.195 114.554 -0.404 0.000 3.035 313 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 313 T C 1.746 176.299 174.700 -0.245 0.000 1.109 313 T CA 0.530 62.462 62.100 -0.279 0.000 1.119 313 T CB -0.804 67.841 68.868 -0.372 0.000 0.900 313 T HN 0.343 nan 8.240 nan 0.000 0.503 314 Y N 2.747 122.953 120.300 -0.157 0.000 2.274 314 Y HA -0.052 4.498 4.550 -0.001 0.000 0.290 314 Y C 2.750 178.598 175.900 -0.087 0.000 1.145 314 Y CA 1.223 59.250 58.100 -0.122 0.000 1.203 314 Y CB -0.261 38.150 38.460 -0.082 0.000 0.984 314 Y HN 0.311 nan 8.280 nan 0.000 0.533 315 R N 0.227 120.771 120.500 0.073 0.000 2.280 315 R HA -0.069 4.271 4.340 -0.001 0.000 0.207 315 R C 1.123 177.431 176.300 0.012 0.000 1.043 315 R CA 1.443 57.569 56.100 0.045 0.000 1.006 315 R CB -0.341 29.990 30.300 0.053 0.000 0.885 315 R HN 0.413 nan 8.270 nan 0.000 0.467 316 E N 0.931 121.114 120.200 -0.028 0.000 2.244 316 E HA -0.035 4.314 4.350 -0.001 0.000 0.196 316 E C 1.661 178.209 176.600 -0.087 0.000 0.939 316 E CA 1.240 57.617 56.400 -0.037 0.000 0.884 316 E CB 0.399 30.083 29.700 -0.026 0.000 0.850 316 E HN 0.495 nan 8.360 nan 0.000 0.481 317 T N -0.597 113.813 114.554 -0.240 0.000 2.942 317 T HA -0.058 4.292 4.350 -0.001 0.000 0.265 317 T C 1.475 176.079 174.700 -0.160 0.000 1.062 317 T CA 1.083 62.931 62.100 -0.419 0.000 1.139 317 T CB -0.180 68.142 68.868 -0.910 0.000 0.883 317 T HN 0.071 nan 8.240 nan 0.000 0.468 318 T N 0.718 115.225 114.554 -0.078 0.000 3.410 318 T HA 0.519 4.868 4.350 -0.001 0.000 0.328 318 T C -2.970 171.738 174.700 0.013 0.000 1.567 318 T CA -1.663 60.438 62.100 0.002 0.000 1.626 318 T CB 1.495 70.382 68.868 0.032 0.000 0.939 318 T HN 0.156 nan 8.240 nan 0.000 0.656 330 L N 0.863 122.077 121.223 -0.015 0.000 2.275 330 L HA -0.101 4.239 4.340 -0.001 0.000 0.215 330 L C 1.370 178.259 176.870 0.033 0.000 1.119 330 L CA 1.079 55.903 54.840 -0.026 0.000 0.790 330 L CB -0.302 41.721 42.059 -0.059 0.000 0.919 330 L HN 0.437 nan 8.230 nan 0.000 0.443 331 Q N -1.052 118.777 119.800 0.050 0.000 2.402 331 Q HA 0.016 4.355 4.340 -0.001 0.000 0.206 331 Q C 1.510 177.549 176.000 0.065 0.000 0.919 331 Q CA 0.607 56.478 55.803 0.112 0.000 0.923 331 Q CB 0.428 29.180 28.738 0.024 0.000 1.048 331 Q HN 0.245 nan 8.270 nan 0.000 0.515 332 K N -0.270 120.155 120.400 0.042 0.000 2.847 332 K HA 0.178 4.498 4.320 -0.001 0.000 0.251 332 K C 1.713 178.350 176.600 0.062 0.000 1.299 332 K CA 0.314 56.611 56.287 0.017 0.000 0.926 332 K CB -0.396 32.102 32.500 -0.003 0.000 1.824 332 K HN -0.120 nan 8.250 nan 0.000 0.388 333 E N 1.604 121.831 120.200 0.045 0.000 2.110 333 E HA -0.038 4.312 4.350 -0.001 0.000 0.193 333 E C 1.486 178.123 176.600 0.062 0.000 0.988 333 E CA 1.015 57.446 56.400 0.052 0.000 0.804 333 E CB -0.025 29.693 29.700 0.030 0.000 0.745 333 E HN 0.162 nan 8.360 nan 0.000 0.458 334 L N 0.171 121.418 121.223 0.041 0.000 2.741 334 L HA 0.211 4.550 4.340 -0.001 0.000 0.237 334 L C -0.068 176.779 176.870 -0.038 0.000 1.178 334 L CA -0.584 54.258 54.840 0.004 0.000 0.973 334 L CB -0.124 41.923 42.059 -0.021 0.000 1.255 334 L HN 0.130 nan 8.230 nan 0.000 0.498 335 Y N 1.756 121.965 120.300 -0.151 0.000 2.526 335 Y HA 0.174 4.724 4.550 -0.001 0.000 0.330 335 Y C 0.482 176.164 175.900 -0.363 0.000 1.156 335 Y CA -0.154 57.780 58.100 -0.277 0.000 1.419 335 Y CB 0.499 38.761 38.460 -0.330 0.000 1.250 335 Y HN 0.001 nan 8.280 nan 0.000 0.540 336 I N 7.615 127.769 120.570 -0.694 0.000 2.308 336 I HA 0.013 4.182 4.170 -0.001 0.000 0.293 336 I C 0.759 176.654 176.117 -0.370 0.000 1.078 336 I CA -0.102 60.911 61.300 -0.478 0.000 1.292 336 I CB 0.445 38.055 38.000 -0.651 0.000 1.423 336 I HN 0.787 nan 8.210 nan 0.000 0.493 337 H N 4.962 124.084 119.070 0.087 0.000 2.512 337 H HA 0.116 4.671 4.556 -0.001 0.000 0.279 337 H C 0.551 175.958 175.328 0.130 0.000 0.999 337 H CA 0.465 56.638 56.048 0.207 0.000 1.283 337 H CB 0.237 30.111 29.762 0.187 0.000 1.421 337 H HN 0.487 nan 8.280 nan 0.000 0.554 338 K N 1.573 122.080 120.400 0.178 0.000 2.180 338 K HA 0.129 4.448 4.320 -0.001 0.000 0.251 338 K C -2.458 174.261 176.600 0.197 0.000 1.014 338 K CA -1.678 54.700 56.287 0.152 0.000 0.913 338 K CB -0.062 32.507 32.500 0.116 0.000 1.008 338 K HN -0.059 nan 8.250 nan 0.000 0.490 339 P HA -0.123 nan 4.420 nan 0.000 0.260 339 P C -1.156 176.454 177.300 0.518 0.000 1.172 339 P CA 0.579 63.859 63.100 0.300 0.000 0.760 339 P CB 0.159 31.964 31.700 0.174 0.000 0.773 340 F N 4.398 124.540 119.950 0.319 0.000 2.507 340 F HA 0.699 5.225 4.527 -0.001 0.000 0.328 340 F C -0.201 175.728 175.800 0.216 0.000 1.136 340 F CA -1.013 57.109 58.000 0.203 0.000 0.930 340 F CB 1.455 40.483 39.000 0.046 0.000 1.166 340 F HN 0.318 nan 8.300 nan 0.000 0.436 341 G N 4.388 113.041 108.800 -0.245 0.000 2.473 341 G HA2 0.633 4.592 3.960 -0.001 0.000 0.321 341 G HA3 0.633 4.592 3.960 -0.001 0.000 0.321 341 G C -2.423 172.159 174.900 -0.531 0.000 1.200 341 G CA -0.667 44.176 45.100 -0.427 0.000 0.963 341 G HN 0.583 nan 8.290 nan 0.000 0.483 342 F N 0.626 120.329 119.950 -0.412 0.000 2.574 342 F HA 0.583 5.109 4.527 -0.001 0.000 0.313 342 F C -0.231 175.322 175.800 -0.412 0.000 1.130 342 F CA -0.617 57.078 58.000 -0.509 0.000 0.936 342 F CB 2.438 41.225 39.000 -0.354 0.000 1.219 342 F HN 0.388 nan 8.300 nan 0.000 0.445 343 S N 5.910 121.146 115.700 -0.773 0.000 2.456 343 S HA 0.432 4.902 4.470 -0.001 0.000 0.316 343 S C -1.200 173.052 174.600 -0.580 0.000 1.089 343 S CA -0.398 57.529 58.200 -0.455 0.000 1.101 343 S CB 0.841 64.030 63.200 -0.019 0.000 0.995 343 S HN 0.492 nan 8.310 nan 0.000 0.468 344 F N 4.603 124.195 119.950 -0.596 0.000 2.385 344 F HA 0.628 5.154 4.527 -0.001 0.000 0.360 344 F C -1.453 174.096 175.800 -0.418 0.000 1.122 344 F CA -1.092 56.755 58.000 -0.255 0.000 1.090 344 F CB 0.182 39.122 39.000 -0.100 0.000 1.150 344 F HN 0.423 nan 8.300 nan 0.000 0.472 345 F N 7.919 127.546 119.950 -0.539 0.000 2.426 345 F HA 0.391 4.918 4.527 -0.001 0.000 0.348 345 F C -1.566 173.750 175.800 -0.805 0.000 1.124 345 F CA -2.042 55.676 58.000 -0.470 0.000 1.008 345 F CB 1.283 40.114 39.000 -0.281 0.000 1.139 345 F HN 0.348 nan 8.300 nan 0.000 0.452 346 P HA -0.139 nan 4.420 nan 0.000 0.221 346 P C 0.560 177.747 177.300 -0.189 0.000 1.150 346 P CA 1.374 64.237 63.100 -0.396 0.000 0.800 346 P CB 0.306 32.002 31.700 -0.007 0.000 0.787 347 K N -0.703 119.625 120.400 -0.120 0.000 2.374 347 K HA 0.075 4.394 4.320 -0.001 0.000 0.196 347 K C 0.663 177.195 176.600 -0.115 0.000 1.023 347 K CA -0.292 55.950 56.287 -0.076 0.000 1.103 347 K CB -0.012 32.475 32.500 -0.023 0.000 0.848 347 K HN 0.095 nan 8.250 nan 0.000 0.528 348 D N 0.731 121.036 120.400 -0.159 0.000 2.354 348 D HA -0.007 4.633 4.640 -0.001 0.000 0.238 348 D C 1.057 177.203 176.300 -0.257 0.000 1.250 348 D CA 0.193 54.081 54.000 -0.188 0.000 0.911 348 D CB 0.958 41.665 40.800 -0.156 0.000 1.163 348 D HN -0.089 nan 8.370 nan 0.000 0.456 349 L N 0.352 121.318 121.223 -0.427 0.000 2.446 349 L HA 0.086 4.426 4.340 -0.001 0.000 0.219 349 L C 1.016 177.656 176.870 -0.384 0.000 1.116 349 L CA 0.335 54.776 54.840 -0.664 0.000 0.844 349 L CB 0.269 41.387 42.059 -1.568 0.000 0.970 349 L HN 0.275 nan 8.230 nan 0.000 0.457 350 C N 1.039 120.235 119.300 -0.175 0.000 3.276 350 C HA 0.321 4.781 4.460 -0.001 0.000 0.226 350 C C -2.200 172.859 174.990 0.114 0.000 1.502 350 C CA -1.295 57.733 59.018 0.017 0.000 1.488 350 C CB -0.443 27.340 27.740 0.072 0.000 2.014 350 C HN 0.080 nan 8.230 nan 0.000 0.492 351 P HA 0.142 nan 4.420 nan 0.000 0.252 351 P C 0.185 177.629 177.300 0.240 0.000 1.727 351 P CA 0.680 63.974 63.100 0.323 0.000 1.134 351 P CB 0.055 31.937 31.700 0.303 0.000 1.876 352 V N 1.885 121.911 119.914 0.187 0.000 2.785 352 V HA 0.563 4.682 4.120 -0.001 0.000 0.300 352 V C -2.049 173.943 176.094 -0.169 0.000 1.062 352 V CA -2.521 59.779 62.300 -0.000 0.000 1.029 352 V CB 0.585 32.506 31.823 0.163 0.000 1.024 352 V HN 0.206 nan 8.190 nan 0.000 0.477 353 P HA 0.252 nan 4.420 nan 0.000 0.274 353 P C 0.483 177.552 177.300 -0.385 0.000 1.237 353 P CA -0.506 62.304 63.100 -0.484 0.000 0.793 353 P CB 1.131 32.441 31.700 -0.650 0.000 0.977 354 R N 1.582 121.768 120.500 -0.523 0.000 2.103 354 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 354 R C 2.193 178.281 176.300 -0.354 0.000 1.142 354 R CA 2.553 58.261 56.100 -0.654 0.000 0.960 354 R CB -0.703 28.898 30.300 -1.166 0.000 0.858 354 R HN 0.643 nan 8.270 nan 0.000 0.439 355 S N -0.806 114.740 115.700 -0.257 0.000 2.400 355 S HA -0.152 4.317 4.470 -0.001 0.000 0.232 355 S C 1.586 176.268 174.600 0.137 0.000 1.025 355 S CA 0.946 59.104 58.200 -0.071 0.000 0.993 355 S CB -0.473 62.701 63.200 -0.043 0.000 0.808 355 S HN 0.462 nan 8.310 nan 0.000 0.478 356 W N 1.614 122.821 121.300 -0.155 0.000 2.441 356 W HA 0.359 5.018 4.660 -0.001 0.000 0.302 356 W C 2.271 178.725 176.519 -0.108 0.000 1.191 356 W CA -0.793 56.487 57.345 -0.109 0.000 1.327 356 W CB -1.073 28.329 29.460 -0.097 0.000 1.128 356 W HN 0.280 nan 8.180 nan 0.000 0.522 357 I N 0.563 121.172 120.570 0.066 0.000 2.208 357 I HA -0.327 3.843 4.170 -0.001 0.000 0.245 357 I C 2.514 178.652 176.117 0.034 0.000 1.097 357 I CA 1.699 62.977 61.300 -0.036 0.000 1.363 357 I CB -1.064 36.753 38.000 -0.305 0.000 1.051 357 I HN -0.109 nan 8.210 nan 0.000 0.413 358 A N 0.709 123.517 122.820 -0.020 0.000 2.032 358 A HA -0.269 4.050 4.320 -0.001 0.000 0.221 358 A C 2.339 179.977 177.584 0.090 0.000 1.165 358 A CA 2.464 54.511 52.037 0.017 0.000 0.645 358 A CB -1.253 17.726 19.000 -0.034 0.000 0.807 358 A HN 0.583 nan 8.150 nan 0.000 0.453 359 T N -3.363 111.244 114.554 0.089 0.000 3.118 359 T HA -0.025 4.325 4.350 -0.001 0.000 0.260 359 T C 1.412 176.211 174.700 0.165 0.000 1.139 359 T CA 1.630 63.808 62.100 0.130 0.000 1.085 359 T CB -0.628 68.269 68.868 0.048 0.000 0.934 359 T HN 0.624 nan 8.240 nan 0.000 0.518 360 T N -2.349 112.222 114.554 0.028 0.000 3.069 360 T HA 0.587 4.936 4.350 -0.001 0.000 0.252 360 T C 0.842 175.152 174.700 -0.651 0.000 1.053 360 T CA 0.137 62.155 62.100 -0.136 0.000 0.964 360 T CB 0.312 69.128 68.868 -0.087 0.000 1.005 360 T HN 0.673 nan 8.240 nan 0.000 0.532 361 G N 0.990 109.343 108.800 -0.745 0.000 2.441 361 G HA2 0.364 4.324 3.960 -0.001 0.000 0.294 361 G HA3 0.364 4.324 3.960 -0.001 0.000 0.294 361 G C -1.697 173.007 174.900 -0.327 0.000 1.393 361 G CA -1.043 43.382 45.100 -1.124 0.000 0.796 361 G HN 0.085 nan 8.290 nan 0.000 0.494 362 N N 0.291 118.936 118.700 -0.093 0.000 2.819 362 N HA 0.194 4.934 4.740 -0.001 0.000 0.284 362 N C -0.138 175.536 175.510 0.274 0.000 1.196 362 N CA -0.373 52.791 53.050 0.189 0.000 1.114 362 N CB -0.066 38.554 38.487 0.222 0.000 1.437 362 N HN 0.425 nan 8.380 nan 0.000 0.518 363 L N 3.934 125.286 121.223 0.215 0.000 2.433 363 L HA 0.111 4.451 4.340 -0.001 0.000 0.284 363 L C 0.927 177.868 176.870 0.118 0.000 1.120 363 L CA 0.042 54.924 54.840 0.071 0.000 0.879 363 L CB 0.531 42.543 42.059 -0.079 0.000 1.232 363 L HN 0.390 nan 8.230 nan 0.000 0.454 364 V N 2.478 122.521 119.914 0.214 0.000 3.578 364 V HA 0.397 4.517 4.120 -0.001 0.000 0.290 364 V C 0.045 176.343 176.094 0.339 0.000 1.376 364 V CA -0.203 62.245 62.300 0.246 0.000 1.083 364 V CB -0.622 31.358 31.823 0.261 0.000 0.911 364 V HN 0.564 nan 8.190 nan 0.000 0.433 365 F N 0.896 120.942 119.950 0.160 0.000 2.630 365 F HA 0.721 5.247 4.527 -0.001 0.000 0.325 365 F C -1.670 174.222 175.800 0.152 0.000 1.184 365 F CA -1.661 56.458 58.000 0.198 0.000 1.011 365 F CB 2.098 41.332 39.000 0.389 0.000 1.268 365 F HN 0.006 nan 8.300 nan 0.000 0.480 366 F N 6.635 126.342 119.950 -0.406 0.000 2.574 366 F HA 0.694 5.221 4.527 -0.001 0.000 0.313 366 F C -1.508 174.028 175.800 -0.440 0.000 1.130 366 F CA -0.496 57.338 58.000 -0.277 0.000 0.936 366 F CB 1.251 40.136 39.000 -0.192 0.000 1.219 366 F HN 0.379 nan 8.300 nan 0.000 0.445 367 R N 3.721 123.751 120.500 -0.783 0.000 2.513 367 R HA 0.264 4.603 4.340 -0.001 0.000 0.301 367 R C -1.686 174.127 176.300 -0.812 0.000 0.968 367 R CA -0.883 54.829 56.100 -0.647 0.000 0.872 367 R CB 1.747 31.787 30.300 -0.433 0.000 1.177 367 R HN 0.673 nan 8.270 nan 0.000 0.444 368 D N 1.381 121.446 120.400 -0.558 0.000 2.177 368 D HA 0.245 4.884 4.640 -0.001 0.000 0.247 368 D C -0.637 175.331 176.300 -0.552 0.000 1.063 368 D CA 0.036 53.840 54.000 -0.327 0.000 0.867 368 D CB 0.720 41.498 40.800 -0.036 0.000 1.168 368 D HN 0.331 nan 8.370 nan 0.000 0.445 369 H N 1.769 120.776 119.070 -0.106 0.000 2.690 369 H HA 0.473 5.028 4.556 -0.001 0.000 0.368 369 H C 0.045 175.389 175.328 0.027 0.000 1.150 369 H CA -0.700 55.285 56.048 -0.106 0.000 1.174 369 H CB 2.246 31.833 29.762 -0.291 0.000 1.684 369 H HN 0.479 nan 8.280 nan 0.000 0.538 370 A N 2.085 125.005 122.820 0.166 0.000 2.021 370 A HA 0.001 4.320 4.320 -0.001 0.000 0.216 370 A C 0.652 178.311 177.584 0.125 0.000 1.163 370 A CA 0.710 52.823 52.037 0.127 0.000 0.676 370 A CB 0.079 19.133 19.000 0.091 0.000 0.818 370 A HN 0.768 nan 8.150 nan 0.000 0.453 371 E N -2.463 117.830 120.200 0.155 0.000 2.423 371 E HA 0.569 4.918 4.350 -0.001 0.000 0.269 371 E C -0.134 176.578 176.600 0.186 0.000 0.948 371 E CA -0.941 55.536 56.400 0.128 0.000 0.802 371 E CB 1.223 30.974 29.700 0.085 0.000 1.339 371 E HN 0.993 nan 8.360 nan 0.000 0.445 372 G N -0.952 107.904 108.800 0.093 0.000 2.784 372 G HA2 0.258 4.218 3.960 -0.001 0.000 0.686 372 G HA3 0.258 4.218 3.960 -0.001 0.000 0.686 372 G C -0.200 174.694 174.900 -0.011 0.000 1.156 372 G CA -0.479 44.628 45.100 0.012 0.000 0.757 372 G HN 0.824 nan 8.290 nan 0.000 0.642 373 G N -0.399 108.356 108.800 -0.074 0.000 3.099 373 G HA2 0.566 4.526 3.960 -0.001 0.000 0.151 373 G HA3 0.566 4.526 3.960 -0.001 0.000 0.151 373 G C 0.894 175.718 174.900 -0.127 0.000 1.265 373 G CA 0.844 45.913 45.100 -0.052 0.000 0.981 373 G HN 1.474 nan 8.290 nan 0.000 0.601 374 H N -0.830 118.119 119.070 -0.202 0.000 2.395 374 H HA 0.146 4.702 4.556 -0.001 0.000 0.299 374 H C 0.597 175.664 175.328 -0.436 0.000 1.070 374 H CA 0.853 56.667 56.048 -0.391 0.000 1.356 374 H CB -0.167 29.249 29.762 -0.576 0.000 1.401 374 H HN 0.149 nan 8.280 nan 0.000 0.524 375 F N 0.814 120.662 119.950 -0.170 0.000 2.640 375 F HA 0.308 4.835 4.527 -0.001 0.000 0.354 375 F C 1.596 177.186 175.800 -0.351 0.000 1.213 375 F CA 0.032 57.892 58.000 -0.233 0.000 1.314 375 F CB -0.056 38.919 39.000 -0.041 0.000 1.679 375 F HN 0.315 nan 8.300 nan 0.000 0.622 376 A N 1.560 124.134 122.820 -0.411 0.000 1.892 376 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 376 A C 2.482 179.800 177.584 -0.443 0.000 1.188 376 A CA 2.022 53.658 52.037 -0.669 0.000 0.631 376 A CB -0.871 17.630 19.000 -0.831 0.000 0.822 376 A HN 0.580 nan 8.150 nan 0.000 0.447 377 A N -0.756 121.874 122.820 -0.317 0.000 1.933 377 A HA -0.020 4.300 4.320 -0.001 0.000 0.218 377 A C 2.185 179.662 177.584 -0.179 0.000 1.175 377 A CA 1.546 53.435 52.037 -0.246 0.000 0.628 377 A CB -0.491 18.216 19.000 -0.488 0.000 0.814 377 A HN 0.489 nan 8.150 nan 0.000 0.444 378 L N -1.314 119.816 121.223 -0.154 0.000 2.131 378 L HA -0.095 4.244 4.340 -0.001 0.000 0.206 378 L C 2.554 179.369 176.870 -0.092 0.000 1.087 378 L CA 1.260 56.042 54.840 -0.097 0.000 0.767 378 L CB -0.346 41.667 42.059 -0.078 0.000 0.917 378 L HN 0.468 nan 8.230 nan 0.000 0.441 379 E N -0.172 119.957 120.200 -0.117 0.000 2.102 379 E HA 0.015 4.365 4.350 -0.001 0.000 0.190 379 E C 0.380 176.894 176.600 -0.143 0.000 0.971 379 E CA 0.471 56.802 56.400 -0.115 0.000 0.821 379 E CB 0.425 30.053 29.700 -0.120 0.000 0.777 379 E HN 0.193 nan 8.360 nan 0.000 0.460 380 R N 0.900 121.261 120.500 -0.233 0.000 2.738 380 R HA 0.175 4.514 4.340 -0.001 0.000 0.280 380 R C -2.201 174.008 176.300 -0.151 0.000 1.456 380 R CA -1.442 54.541 56.100 -0.194 0.000 1.612 380 R CB 0.482 30.623 30.300 -0.265 0.000 1.286 380 R HN 0.126 nan 8.270 nan 0.000 0.660 381 P HA -0.158 nan 4.420 nan 0.000 0.218 381 P C 1.246 178.535 177.300 -0.019 0.000 1.149 381 P CA 0.953 64.026 63.100 -0.045 0.000 0.817 381 P CB 0.467 32.156 31.700 -0.017 0.000 0.785 382 R N 1.199 121.686 120.500 -0.021 0.000 2.066 382 R HA -0.111 4.229 4.340 -0.001 0.000 0.232 382 R C 2.228 178.539 176.300 0.018 0.000 1.131 382 R CA 1.786 57.880 56.100 -0.011 0.000 0.955 382 R CB -1.225 29.071 30.300 -0.007 0.000 0.851 382 R HN 0.136 nan 8.270 nan 0.000 0.432 383 E N -0.144 120.068 120.200 0.021 0.000 2.077 383 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 383 E C 1.856 178.524 176.600 0.113 0.000 0.989 383 E CA 1.399 57.828 56.400 0.047 0.000 0.800 383 E CB -0.246 29.393 29.700 -0.102 0.000 0.746 383 E HN 0.186 nan 8.360 nan 0.000 0.452 384 L N 1.699 122.988 121.223 0.111 0.000 2.056 384 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 384 L C 2.256 179.177 176.870 0.085 0.000 1.078 384 L CA 1.840 56.769 54.840 0.147 0.000 0.749 384 L CB -0.333 41.778 42.059 0.087 0.000 0.901 384 L HN -0.074 nan 8.230 nan 0.000 0.433 385 K N -1.392 119.051 120.400 0.071 0.000 2.009 385 K HA -0.192 4.128 4.320 -0.001 0.000 0.210 385 K C 1.902 178.543 176.600 0.069 0.000 1.049 385 K CA 2.098 58.426 56.287 0.067 0.000 0.929 385 K CB -0.327 32.152 32.500 -0.034 0.000 0.714 385 K HN 0.358 nan 8.250 nan 0.000 0.440 386 T N 1.455 116.050 114.554 0.068 0.000 2.684 386 T HA -0.139 4.211 4.350 -0.001 0.000 0.267 386 T C 1.208 176.005 174.700 0.162 0.000 1.036 386 T CA 1.808 63.973 62.100 0.109 0.000 1.148 386 T CB -0.422 68.512 68.868 0.110 0.000 0.863 386 T HN 0.348 nan 8.240 nan 0.000 0.436 387 D N 0.789 121.299 120.400 0.184 0.000 2.097 387 D HA -0.050 4.589 4.640 -0.001 0.000 0.195 387 D C 1.993 178.308 176.300 0.024 0.000 0.989 387 D CA 0.588 54.750 54.000 0.271 0.000 0.827 387 D CB -0.547 40.446 40.800 0.321 0.000 0.966 387 D HN 0.182 nan 8.370 nan 0.000 0.456 388 L N 0.634 121.754 121.223 -0.172 0.000 2.046 388 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 388 L C 2.096 178.880 176.870 -0.145 0.000 1.077 388 L CA 1.751 56.392 54.840 -0.331 0.000 0.747 388 L CB -0.961 40.926 42.059 -0.286 0.000 0.896 388 L HN -0.038 nan 8.230 nan 0.000 0.432 389 T N 0.019 114.595 114.554 0.037 0.000 2.684 389 T HA -0.198 4.152 4.350 -0.001 0.000 0.267 389 T C 1.901 176.697 174.700 0.159 0.000 1.036 389 T CA 1.532 63.760 62.100 0.213 0.000 1.148 389 T CB -0.600 68.469 68.868 0.334 0.000 0.863 389 T HN 0.549 nan 8.240 nan 0.000 0.436 390 A N 0.937 123.850 122.820 0.155 0.000 1.902 390 A HA -0.007 4.313 4.320 -0.001 0.000 0.217 390 A C 2.013 179.641 177.584 0.074 0.000 1.181 390 A CA 1.311 53.477 52.037 0.215 0.000 0.623 390 A CB -0.942 18.308 19.000 0.417 0.000 0.818 390 A HN 0.468 nan 8.150 nan 0.000 0.443 391 F N 0.964 120.601 119.950 -0.522 0.000 2.069 391 F HA -0.179 4.347 4.527 -0.001 0.000 0.298 391 F C 2.259 177.881 175.800 -0.296 0.000 1.113 391 F CA 2.056 59.552 58.000 -0.840 0.000 1.214 391 F CB -0.558 37.764 39.000 -1.130 0.000 0.978 391 F HN 0.029 nan 8.300 nan 0.000 0.474 392 V N 0.674 120.392 119.914 -0.327 0.000 2.287 392 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 392 V C 2.297 178.333 176.094 -0.097 0.000 1.053 392 V CA 2.400 64.518 62.300 -0.303 0.000 1.027 392 V CB -0.852 30.745 31.823 -0.376 0.000 0.646 392 V HN 0.365 nan 8.190 nan 0.000 0.447 393 E N -0.400 119.812 120.200 0.019 0.000 2.160 393 E HA -0.307 4.042 4.350 -0.001 0.000 0.195 393 E C 2.268 178.900 176.600 0.052 0.000 0.991 393 E CA 1.472 57.925 56.400 0.088 0.000 0.810 393 E CB -0.121 29.657 29.700 0.130 0.000 0.742 393 E HN 0.687 nan 8.360 nan 0.000 0.466 394 Q N 0.588 120.387 119.800 -0.002 0.000 2.049 394 Q HA -0.125 4.215 4.340 -0.001 0.000 0.198 394 Q C 2.224 178.195 176.000 -0.049 0.000 0.971 394 Q CA 1.866 57.678 55.803 0.015 0.000 0.833 394 Q CB 0.299 29.098 28.738 0.101 0.000 0.896 394 Q HN 0.326 nan 8.270 nan 0.000 0.434 395 V N -2.846 116.949 119.914 -0.197 0.000 3.431 395 V HA 0.167 4.287 4.120 -0.001 0.000 0.253 395 V C 1.004 177.057 176.094 -0.069 0.000 1.184 395 V CA -0.417 61.769 62.300 -0.190 0.000 1.104 395 V CB -0.350 31.224 31.823 -0.415 0.000 0.799 395 V HN 0.368 nan 8.190 nan 0.000 0.462 396 W N 0.000 121.177 121.300 -0.205 0.000 2.388 396 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 396 W CA 0.000 57.271 57.345 -0.123 0.000 1.226 396 W CB 0.000 29.392 29.460 -0.113 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535