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 2w3c_1_A DATA FIRST_RESID 55 DATA SEQUENCE LEVGIQAMEH LIHVLQTDRS DSEIIGYALD TLYNIISNXX XXXXXXXXXX DATA SEQUENCE XXXXXXSQFT EIFIKQQENV TLLLSLLEEF DFHVRWPGVK LLTSLLKQLG DATA SEQUENCE PQVQQIILVS PMGVSRLMDL LADSREVIRN DGVLLLQALT RSNGAIQKIV DATA SEQUENCE AFENAFERLL DIISEEGNSD GGIVVEDCLI LLQNLLKNNN SNQNFFKEGS DATA SEQUENCE YIQRMKPWFE VXXXXXGWSA QKVTNLHLML QLVRVLVSPT NPPGATSSCQ DATA SEQUENCE KAMFQCGLLQ QLCTILMATG VPADILTETI NTVSEVIRGC QVNQDYFASV DATA SEQUENCE NAPSXPPRPA IVVLLMSMVN ERQPFVLRCA VLYCFQCFLY KNQKGQGEIV DATA SEQUENCE STLLPSTIDA TGNSVSAGQL LCGGLFSTDS LSNWCAAVAL AHALQENATQ DATA SEQUENCE KEQLLRVQLA TSIGNPPVSL LQQCTNILSQ GSKIQTRVGL LMLLCTWLSN DATA SEQUENCE CPIAVTHFLH NSANVPFLTG QIAENLGEEE QLVQGLCALL LGISIYFNDN DATA SEQUENCE SLESYMKEKL KQLIEKRIGK ENFIEKLGFI SKHELYSRAS QKPQPNFPSP DATA SEQUENCE EYMIFDHEFT KLVKELEGVI TKAIY 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 55 L HA 0.000 nan 4.340 nan 0.000 0.249 55 L C 0.000 176.909 176.870 0.065 0.000 1.165 55 L CA 0.000 54.867 54.840 0.045 0.000 0.813 55 L CB 0.000 42.088 42.059 0.048 0.000 0.961 56 E N 0.446 120.676 120.200 0.050 0.000 2.208 56 E HA 0.210 4.560 4.350 -0.001 0.000 0.193 56 E C 1.181 177.857 176.600 0.127 0.000 0.988 56 E CA 1.584 58.016 56.400 0.053 0.000 0.828 56 E CB -0.242 29.472 29.700 0.022 0.000 0.763 56 E HN 1.973 nan 8.360 nan 0.000 0.478 57 V N 0.691 120.672 119.914 0.111 0.000 3.351 57 V HA 0.350 4.470 4.120 -0.001 0.000 0.364 57 V C 2.071 178.242 176.094 0.128 0.000 1.219 57 V CA 0.380 62.750 62.300 0.116 0.000 1.382 57 V CB -0.527 31.334 31.823 0.063 0.000 1.203 57 V HN 0.400 nan 8.190 nan 0.000 0.448 58 G N 0.329 109.266 108.800 0.229 0.000 2.679 58 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.212 58 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.212 58 G C 1.339 176.190 174.900 -0.081 0.000 1.137 58 G CA 1.005 46.172 45.100 0.111 0.000 0.787 58 G HN 0.615 nan 8.290 nan 0.000 0.534 59 I N -0.366 120.327 120.570 0.206 0.000 2.500 59 I HA 0.232 4.401 4.170 -0.001 0.000 0.252 59 I C 2.796 178.948 176.117 0.058 0.000 1.142 59 I CA 2.229 63.620 61.300 0.152 0.000 1.451 59 I CB -1.494 36.661 38.000 0.258 0.000 1.093 59 I HN 0.467 nan 8.210 nan 0.000 0.430 60 Q N 0.682 120.515 119.800 0.054 0.000 2.020 60 Q HA 0.194 4.534 4.340 -0.001 0.000 0.202 60 Q C 2.210 178.232 176.000 0.037 0.000 0.982 60 Q CA 1.688 57.514 55.803 0.037 0.000 0.838 60 Q CB -1.257 27.495 28.738 0.023 0.000 0.899 60 Q HN 1.759 nan 8.270 nan 0.000 0.423 61 A N -0.827 122.005 122.820 0.020 0.000 3.019 61 A HA 0.587 4.907 4.320 -0.001 0.000 0.262 61 A C 1.217 178.835 177.584 0.058 0.000 1.509 61 A CA 0.711 52.785 52.037 0.062 0.000 1.159 61 A CB -0.479 18.540 19.000 0.032 0.000 1.042 61 A HN 0.756 nan 8.150 nan 0.000 0.641 62 M N -1.124 118.504 119.600 0.047 0.000 1.904 62 M HA 0.084 4.564 4.480 -0.001 0.000 0.203 62 M C 1.418 177.751 176.300 0.056 0.000 1.379 62 M CA 0.899 56.201 55.300 0.004 0.000 0.949 62 M CB 0.065 32.607 32.600 -0.097 0.000 1.612 62 M HN 0.425 nan 8.290 nan 0.000 0.585 63 E N -0.274 119.968 120.200 0.071 0.000 2.396 63 E HA -0.288 4.062 4.350 -0.001 0.000 0.200 63 E C 1.311 177.980 176.600 0.114 0.000 1.023 63 E CA 1.945 58.388 56.400 0.072 0.000 0.857 63 E CB -0.553 29.183 29.700 0.061 0.000 0.775 63 E HN 0.847 nan 8.360 nan 0.000 0.525 64 H N 0.036 119.129 119.070 0.039 0.000 2.639 64 H HA 0.227 4.782 4.556 -0.001 0.000 0.267 64 H C 1.655 177.045 175.328 0.103 0.000 0.958 64 H CA 0.217 56.297 56.048 0.054 0.000 1.221 64 H CB 0.107 29.876 29.762 0.011 0.000 1.446 64 H HN 0.129 nan 8.280 nan 0.000 0.512 65 L N -0.162 120.919 121.223 -0.238 0.000 2.131 65 L HA 0.025 4.365 4.340 -0.001 0.000 0.206 65 L C 2.022 178.849 176.870 -0.071 0.000 1.087 65 L CA 0.696 55.411 54.840 -0.209 0.000 0.767 65 L CB -0.158 41.847 42.059 -0.089 0.000 0.917 65 L HN 0.280 nan 8.230 nan 0.000 0.441 66 I N -0.574 119.994 120.570 -0.003 0.000 2.208 66 I HA -0.358 3.812 4.170 -0.001 0.000 0.245 66 I C 2.562 178.679 176.117 0.000 0.000 1.097 66 I CA 1.441 62.747 61.300 0.010 0.000 1.363 66 I CB -0.357 37.633 38.000 -0.017 0.000 1.051 66 I HN 0.288 nan 8.210 nan 0.000 0.413 67 H N 0.434 119.468 119.070 -0.061 0.000 2.387 67 H HA -0.156 4.400 4.556 -0.001 0.000 0.299 67 H C 2.128 177.430 175.328 -0.045 0.000 1.099 67 H CA 1.959 57.983 56.048 -0.039 0.000 1.315 67 H CB -0.003 29.761 29.762 0.004 0.000 1.380 67 H HN 0.074 nan 8.280 nan 0.000 0.513 68 V N 0.706 120.614 119.914 -0.011 0.000 2.287 68 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 68 V C 2.586 178.643 176.094 -0.062 0.000 1.053 68 V CA 1.860 64.141 62.300 -0.032 0.000 1.027 68 V CB -0.604 31.206 31.823 -0.022 0.000 0.646 68 V HN 0.456 nan 8.190 nan 0.000 0.447 69 L N -0.544 120.649 121.223 -0.050 0.000 2.353 69 L HA -0.199 4.141 4.340 -0.001 0.000 0.220 69 L C 2.511 179.338 176.870 -0.071 0.000 1.133 69 L CA 1.332 56.148 54.840 -0.040 0.000 0.798 69 L CB -0.464 41.589 42.059 -0.010 0.000 0.922 69 L HN 0.463 nan 8.230 nan 0.000 0.445 70 Q N -1.049 118.676 119.800 -0.124 0.000 2.259 70 Q HA -0.077 4.263 4.340 -0.001 0.000 0.201 70 Q C 2.154 178.065 176.000 -0.148 0.000 0.938 70 Q CA 1.716 57.436 55.803 -0.139 0.000 0.872 70 Q CB 0.189 28.823 28.738 -0.174 0.000 0.971 70 Q HN 0.530 nan 8.270 nan 0.000 0.494 71 T N -2.939 111.495 114.554 -0.199 0.000 3.000 71 T HA 0.070 4.420 4.350 -0.001 0.000 0.248 71 T C 1.053 175.703 174.700 -0.084 0.000 1.034 71 T CA 0.215 62.215 62.100 -0.166 0.000 1.060 71 T CB 0.258 68.967 68.868 -0.264 0.000 0.983 71 T HN -0.107 nan 8.240 nan 0.000 0.482 72 D N 1.095 121.456 120.400 -0.064 0.000 2.525 72 D HA 0.288 4.928 4.640 -0.001 0.000 0.229 72 D C 1.428 177.723 176.300 -0.009 0.000 1.202 72 D CA -0.165 53.823 54.000 -0.020 0.000 0.828 72 D CB 0.213 41.014 40.800 0.001 0.000 1.008 72 D HN 0.383 nan 8.370 nan 0.000 0.493 73 R N -0.268 120.219 120.500 -0.022 0.000 2.285 73 R HA -0.061 4.279 4.340 -0.001 0.000 0.213 73 R C 2.048 178.346 176.300 -0.004 0.000 1.068 73 R CA 0.866 56.956 56.100 -0.017 0.000 1.004 73 R CB 0.015 30.296 30.300 -0.032 0.000 0.873 73 R HN 0.037 nan 8.270 nan 0.000 0.467 74 S N -0.020 115.681 115.700 0.003 0.000 2.562 74 S HA -0.062 4.408 4.470 -0.001 0.000 0.221 74 S C 0.494 175.112 174.600 0.029 0.000 0.975 74 S CA 0.117 58.325 58.200 0.013 0.000 0.918 74 S CB 0.262 63.468 63.200 0.010 0.000 0.772 74 S HN 0.055 nan 8.310 nan 0.000 0.531 75 D N 2.101 122.521 120.400 0.034 0.000 2.485 75 D HA 0.344 4.984 4.640 -0.001 0.000 0.229 75 D C 1.159 177.506 176.300 0.079 0.000 1.101 75 D CA -0.047 53.985 54.000 0.053 0.000 0.906 75 D CB 1.344 42.168 40.800 0.040 0.000 1.019 75 D HN 0.242 nan 8.370 nan 0.000 0.516 76 S N 2.862 118.632 115.700 0.118 0.000 2.423 76 S HA -0.138 4.332 4.470 -0.001 0.000 0.231 76 S C 1.363 176.132 174.600 0.282 0.000 1.014 76 S CA 0.484 58.778 58.200 0.156 0.000 0.965 76 S CB -0.057 63.248 63.200 0.174 0.000 0.785 76 S HN 0.412 nan 8.310 nan 0.000 0.495 77 E N 1.002 121.359 120.200 0.263 0.000 2.110 77 E HA -0.037 4.313 4.350 -0.001 0.000 0.193 77 E C 1.891 178.601 176.600 0.184 0.000 0.988 77 E CA 0.802 57.330 56.400 0.213 0.000 0.804 77 E CB -0.414 29.333 29.700 0.078 0.000 0.745 77 E HN 0.574 nan 8.360 nan 0.000 0.458 78 I N 0.967 121.615 120.570 0.130 0.000 2.584 78 I HA -0.148 4.022 4.170 -0.001 0.000 0.255 78 I C 1.946 178.164 176.117 0.167 0.000 1.145 78 I CA 0.435 61.809 61.300 0.123 0.000 1.462 78 I CB -0.007 38.026 38.000 0.055 0.000 1.102 78 I HN -0.059 nan 8.210 nan 0.000 0.433 79 I N 0.649 121.291 120.570 0.119 0.000 2.179 79 I HA -0.177 3.993 4.170 -0.001 0.000 0.242 79 I C 2.580 178.754 176.117 0.095 0.000 1.088 79 I CA 1.624 62.971 61.300 0.078 0.000 1.357 79 I CB -2.212 35.803 38.000 0.027 0.000 1.051 79 I HN 0.308 nan 8.210 nan 0.000 0.409 80 G N -0.331 108.558 108.800 0.148 0.000 2.442 80 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.219 80 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.219 80 G C 1.762 176.753 174.900 0.151 0.000 1.141 80 G CA 0.885 46.082 45.100 0.163 0.000 0.763 80 G HN 0.452 nan 8.290 nan 0.000 0.554 81 Y N 1.601 121.941 120.300 0.065 0.000 2.243 81 Y HA 0.282 4.832 4.550 -0.000 0.000 0.293 81 Y C 2.773 178.683 175.900 0.016 0.000 1.124 81 Y CA 1.124 59.250 58.100 0.044 0.000 1.159 81 Y CB -0.247 38.238 38.460 0.042 0.000 1.008 81 Y HN 0.213 nan 8.280 nan 0.000 0.527 82 A N 0.691 123.542 122.820 0.051 0.000 1.898 82 A HA -0.084 4.236 4.320 -0.001 0.000 0.216 82 A C 2.178 179.695 177.584 -0.112 0.000 1.181 82 A CA 1.660 53.657 52.037 -0.068 0.000 0.620 82 A CB -1.067 17.968 19.000 0.057 0.000 0.819 82 A HN 0.551 nan 8.150 nan 0.000 0.442 83 L N -0.748 120.438 121.223 -0.062 0.000 2.056 83 L HA -0.180 4.159 4.340 -0.001 0.000 0.207 83 L C 2.327 179.134 176.870 -0.105 0.000 1.078 83 L CA 1.736 56.529 54.840 -0.078 0.000 0.749 83 L CB -0.544 41.469 42.059 -0.076 0.000 0.901 83 L HN 0.379 nan 8.230 nan 0.000 0.433 84 D N -0.722 119.607 120.400 -0.119 0.000 2.117 84 D HA -0.166 4.474 4.640 -0.001 0.000 0.197 84 D C 2.052 178.260 176.300 -0.154 0.000 0.987 84 D CA 1.430 55.366 54.000 -0.107 0.000 0.829 84 D CB 0.203 40.945 40.800 -0.096 0.000 0.961 84 D HN 0.112 nan 8.370 nan 0.000 0.460 85 T N -0.226 114.143 114.554 -0.308 0.000 2.857 85 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 85 T C 1.982 176.551 174.700 -0.219 0.000 1.048 85 T CA 0.429 62.324 62.100 -0.343 0.000 1.139 85 T CB -0.118 68.403 68.868 -0.578 0.000 0.874 85 T HN 0.130 nan 8.240 nan 0.000 0.455 86 L N -0.143 120.979 121.223 -0.167 0.000 2.056 86 L HA -0.072 4.268 4.340 -0.001 0.000 0.207 86 L C 2.389 179.196 176.870 -0.106 0.000 1.078 86 L CA 1.310 56.073 54.840 -0.129 0.000 0.749 86 L CB -0.543 41.462 42.059 -0.090 0.000 0.901 86 L HN 0.248 nan 8.230 nan 0.000 0.433 87 Y N 1.522 121.685 120.300 -0.228 0.000 2.165 87 Y HA -0.305 4.245 4.550 -0.001 0.000 0.286 87 Y C 2.395 178.187 175.900 -0.179 0.000 1.155 87 Y CA 1.604 59.573 58.100 -0.219 0.000 1.164 87 Y CB -0.511 37.806 38.460 -0.239 0.000 0.978 87 Y HN 0.224 nan 8.280 nan 0.000 0.513 88 N N 0.470 118.997 118.700 -0.289 0.000 2.043 88 N HA -0.212 4.528 4.740 -0.001 0.000 0.193 88 N C 2.002 177.361 175.510 -0.251 0.000 1.037 88 N CA 2.215 55.059 53.050 -0.343 0.000 0.851 88 N CB -0.643 37.701 38.487 -0.238 0.000 1.027 88 N HN 0.470 nan 8.380 nan 0.000 0.422 89 I N 0.268 120.717 120.570 -0.201 0.000 2.179 89 I HA -0.207 3.963 4.170 -0.001 0.000 0.242 89 I C 1.839 177.911 176.117 -0.075 0.000 1.088 89 I CA 1.018 62.206 61.300 -0.187 0.000 1.357 89 I CB -0.170 37.639 38.000 -0.317 0.000 1.051 89 I HN 0.069 nan 8.210 nan 0.000 0.409 90 I N -0.404 120.116 120.570 -0.083 0.000 2.617 90 I HA -0.192 3.977 4.170 -0.001 0.000 0.256 90 I C 2.573 178.676 176.117 -0.023 0.000 1.167 90 I CA 0.903 62.200 61.300 -0.005 0.000 1.469 90 I CB -0.087 37.868 38.000 -0.075 0.000 1.098 90 I HN 0.165 nan 8.210 nan 0.000 0.436 91 S N 0.121 115.747 115.700 -0.124 0.000 2.470 91 S HA 0.020 4.490 4.470 -0.001 0.000 0.225 91 S C 0.443 174.966 174.600 -0.129 0.000 1.006 91 S CA 0.396 58.498 58.200 -0.162 0.000 0.934 91 S CB -0.435 62.480 63.200 -0.476 0.000 0.778 91 S HN 0.637 nan 8.310 nan 0.000 0.517 112 Q N 0.695 120.391 119.800 -0.173 0.000 2.049 112 Q HA 0.158 4.498 4.340 -0.001 0.000 0.198 112 Q C 1.295 177.209 176.000 -0.144 0.000 0.971 112 Q CA 2.098 57.758 55.803 -0.239 0.000 0.833 112 Q CB -0.331 28.129 28.738 -0.463 0.000 0.896 112 Q HN 0.706 nan 8.270 nan 0.000 0.434 113 F N -0.168 119.793 119.950 0.017 0.000 2.234 113 F HA -0.095 4.431 4.527 -0.001 0.000 0.299 113 F C 2.250 178.090 175.800 0.067 0.000 1.087 113 F CA 1.461 59.483 58.000 0.037 0.000 1.340 113 F CB -0.976 38.036 39.000 0.021 0.000 1.031 113 F HN 0.060 nan 8.300 nan 0.000 0.500 114 T N -0.512 114.165 114.554 0.206 0.000 2.788 114 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 114 T C 1.714 176.511 174.700 0.163 0.000 1.044 114 T CA 1.501 63.688 62.100 0.144 0.000 1.139 114 T CB -0.313 68.593 68.868 0.065 0.000 0.867 114 T HN 0.366 nan 8.240 nan 0.000 0.454 115 E N 0.605 120.872 120.200 0.113 0.000 2.204 115 E HA 0.011 4.361 4.350 -0.001 0.000 0.194 115 E C 2.074 178.736 176.600 0.104 0.000 0.989 115 E CA 0.691 57.142 56.400 0.086 0.000 0.824 115 E CB -0.207 29.517 29.700 0.040 0.000 0.756 115 E HN 0.509 nan 8.360 nan 0.000 0.477 116 I N 0.282 120.936 120.570 0.141 0.000 2.400 116 I HA -0.170 4.000 4.170 -0.001 0.000 0.248 116 I C 2.266 178.475 176.117 0.153 0.000 1.109 116 I CA 0.550 61.933 61.300 0.138 0.000 1.425 116 I CB -0.172 37.932 38.000 0.173 0.000 1.094 116 I HN 0.031 nan 8.210 nan 0.000 0.425 117 F N 2.545 122.535 119.950 0.066 0.000 2.126 117 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 117 F C 2.314 178.128 175.800 0.023 0.000 1.096 117 F CA 2.187 60.211 58.000 0.040 0.000 1.255 117 F CB -0.128 38.894 39.000 0.036 0.000 0.997 117 F HN 0.050 nan 8.300 nan 0.000 0.479 118 I N -1.765 118.958 120.570 0.254 0.000 2.876 118 I HA -0.068 4.102 4.170 -0.001 0.000 0.264 118 I C 2.198 178.327 176.117 0.021 0.000 1.204 118 I CA 0.977 62.362 61.300 0.141 0.000 1.485 118 I CB -0.699 37.406 38.000 0.175 0.000 1.103 118 I HN 0.018 nan 8.210 nan 0.000 0.446 119 K N 0.783 121.195 120.400 0.019 0.000 2.152 119 K HA -0.085 4.235 4.320 -0.001 0.000 0.206 119 K C 0.596 177.176 176.600 -0.032 0.000 1.048 119 K CA 1.031 57.318 56.287 0.000 0.000 0.933 119 K CB 0.072 32.579 32.500 0.012 0.000 0.721 119 K HN 0.413 nan 8.250 nan 0.000 0.447 120 Q N 1.175 120.930 119.800 -0.076 0.000 2.490 120 Q HA 0.036 4.376 4.340 -0.001 0.000 0.226 120 Q C 0.382 176.304 176.000 -0.129 0.000 1.132 120 Q CA 0.223 55.965 55.803 -0.102 0.000 0.928 120 Q CB 1.403 30.062 28.738 -0.132 0.000 1.299 120 Q HN 0.307 nan 8.270 nan 0.000 0.528 121 Q N 1.164 120.918 119.800 -0.076 0.000 2.181 121 Q HA -0.195 4.144 4.340 -0.001 0.000 0.205 121 Q C 1.317 177.273 176.000 -0.072 0.000 0.980 121 Q CA 1.301 57.069 55.803 -0.058 0.000 0.862 121 Q CB 0.312 29.032 28.738 -0.030 0.000 0.905 121 Q HN 0.578 nan 8.270 nan 0.000 0.429 122 E N 0.481 120.632 120.200 -0.081 0.000 2.515 122 E HA -0.156 4.193 4.350 -0.001 0.000 0.201 122 E C 0.850 177.384 176.600 -0.109 0.000 1.071 122 E CA 0.579 56.933 56.400 -0.077 0.000 0.880 122 E CB -0.175 29.486 29.700 -0.065 0.000 0.828 122 E HN 0.323 nan 8.360 nan 0.000 0.540 123 N N 1.082 119.668 118.700 -0.190 0.000 2.171 123 N HA -0.074 4.665 4.740 -0.001 0.000 0.184 123 N C 1.988 177.426 175.510 -0.119 0.000 1.021 123 N CA 1.199 54.067 53.050 -0.304 0.000 0.854 123 N CB -0.254 37.759 38.487 -0.790 0.000 0.994 123 N HN 0.086 nan 8.380 nan 0.000 0.426 124 V N 1.287 121.185 119.914 -0.028 0.000 2.358 124 V HA -0.181 3.938 4.120 -0.001 0.000 0.246 124 V C 2.541 178.660 176.094 0.042 0.000 1.047 124 V CA 2.127 64.489 62.300 0.104 0.000 1.035 124 V CB -1.191 30.692 31.823 0.099 0.000 0.658 124 V HN 0.516 nan 8.190 nan 0.000 0.452 125 T N -1.362 113.191 114.554 -0.001 0.000 2.962 125 T HA -0.122 4.227 4.350 -0.001 0.000 0.270 125 T C 1.804 176.493 174.700 -0.019 0.000 1.088 125 T CA 1.405 63.497 62.100 -0.013 0.000 1.127 125 T CB -0.256 68.598 68.868 -0.023 0.000 0.883 125 T HN 0.301 nan 8.240 nan 0.000 0.493 126 L N -0.024 121.187 121.223 -0.021 0.000 2.131 126 L HA 0.318 4.658 4.340 -0.001 0.000 0.206 126 L C 2.161 179.029 176.870 -0.004 0.000 1.087 126 L CA 1.160 55.986 54.840 -0.023 0.000 0.767 126 L CB -0.983 41.053 42.059 -0.038 0.000 0.917 126 L HN 0.240 nan 8.230 nan 0.000 0.441 127 L N -0.623 120.622 121.223 0.036 0.000 2.017 127 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 127 L C 2.371 179.236 176.870 -0.008 0.000 1.073 127 L CA 1.788 56.651 54.840 0.039 0.000 0.745 127 L CB -0.774 41.345 42.059 0.100 0.000 0.894 127 L HN 0.279 nan 8.230 nan 0.000 0.432 128 L N -1.288 119.930 121.223 -0.007 0.000 2.013 128 L HA -0.292 4.048 4.340 -0.001 0.000 0.212 128 L C 2.721 179.563 176.870 -0.047 0.000 1.073 128 L CA 1.827 56.651 54.840 -0.027 0.000 0.753 128 L CB -0.867 41.181 42.059 -0.019 0.000 0.890 128 L HN 0.419 nan 8.230 nan 0.000 0.432 129 S N 0.091 115.763 115.700 -0.045 0.000 2.370 129 S HA -0.181 4.289 4.470 -0.001 0.000 0.226 129 S C 1.982 176.534 174.600 -0.079 0.000 1.033 129 S CA 1.216 59.379 58.200 -0.061 0.000 1.011 129 S CB -0.255 62.914 63.200 -0.052 0.000 0.852 129 S HN 0.338 nan 8.310 nan 0.000 0.457 130 L N 0.847 122.030 121.223 -0.067 0.000 2.265 130 L HA 0.041 4.381 4.340 -0.001 0.000 0.215 130 L C 2.013 178.820 176.870 -0.105 0.000 1.117 130 L CA 0.715 55.507 54.840 -0.079 0.000 0.782 130 L CB -0.288 41.737 42.059 -0.056 0.000 0.914 130 L HN 0.375 nan 8.230 nan 0.000 0.441 131 L N -0.850 120.312 121.223 -0.101 0.000 2.554 131 L HA -0.064 4.275 4.340 -0.001 0.000 0.226 131 L C 1.794 178.572 176.870 -0.153 0.000 1.137 131 L CA 0.497 55.273 54.840 -0.108 0.000 0.863 131 L CB -0.207 41.804 42.059 -0.079 0.000 0.985 131 L HN 0.318 nan 8.230 nan 0.000 0.451 132 E N -0.406 119.677 120.200 -0.194 0.000 2.481 132 E HA -0.021 4.329 4.350 -0.001 0.000 0.195 132 E C 0.117 176.413 176.600 -0.507 0.000 1.047 132 E CA -0.036 56.173 56.400 -0.319 0.000 0.867 132 E CB 0.325 29.881 29.700 -0.240 0.000 0.858 132 E HN 0.299 nan 8.360 nan 0.000 0.513 133 E N 0.349 120.350 120.200 -0.332 0.000 2.324 133 E HA -0.006 4.344 4.350 -0.001 0.000 0.271 133 E C 0.200 176.653 176.600 -0.245 0.000 1.028 133 E CA 0.040 56.267 56.400 -0.289 0.000 0.890 133 E CB 0.432 30.033 29.700 -0.165 0.000 1.004 133 E HN 0.126 nan 8.360 nan 0.000 0.431 134 F N 0.605 120.540 119.950 -0.024 0.000 2.558 134 F HA -0.050 4.476 4.527 -0.001 0.000 0.298 134 F C 0.797 176.599 175.800 0.004 0.000 1.119 134 F CA 0.143 58.139 58.000 -0.006 0.000 1.451 134 F CB -0.020 38.988 39.000 0.013 0.000 1.091 134 F HN 0.179 nan 8.300 nan 0.000 0.563 135 D N 0.757 121.223 120.400 0.110 0.000 2.520 135 D HA -0.149 4.491 4.640 -0.001 0.000 0.243 135 D C 1.327 177.649 176.300 0.037 0.000 1.160 135 D CA 0.281 54.301 54.000 0.033 0.000 0.877 135 D CB 0.250 40.897 40.800 -0.255 0.000 1.150 135 D HN 0.081 nan 8.370 nan 0.000 0.494 136 F N 3.336 123.344 119.950 0.096 0.000 2.091 136 F HA -0.293 4.234 4.527 -0.001 0.000 0.299 136 F C 2.435 178.344 175.800 0.182 0.000 1.103 136 F CA 1.665 59.751 58.000 0.142 0.000 1.228 136 F CB 0.037 39.130 39.000 0.155 0.000 0.984 136 F HN 0.566 nan 8.300 nan 0.000 0.477 137 H N -1.734 117.546 119.070 0.350 0.000 2.559 137 H HA 0.067 4.622 4.556 -0.001 0.000 0.273 137 H C 1.802 177.212 175.328 0.138 0.000 1.000 137 H CA 1.314 57.535 56.048 0.289 0.000 1.195 137 H CB -0.987 28.934 29.762 0.264 0.000 1.368 137 H HN 0.328 nan 8.280 nan 0.000 0.592 138 V N 0.733 120.523 119.914 -0.206 0.000 2.627 138 V HA -0.012 4.107 4.120 -0.001 0.000 0.239 138 V C 2.871 178.894 176.094 -0.117 0.000 1.077 138 V CA 1.014 63.217 62.300 -0.161 0.000 1.103 138 V CB -0.267 31.427 31.823 -0.216 0.000 0.802 138 V HN 0.244 nan 8.190 nan 0.000 0.482 139 R N -1.008 119.417 120.500 -0.125 0.000 2.075 139 R HA -0.219 4.120 4.340 -0.001 0.000 0.232 139 R C 2.152 178.393 176.300 -0.097 0.000 1.126 139 R CA 2.079 58.112 56.100 -0.112 0.000 0.963 139 R CB -0.331 29.914 30.300 -0.092 0.000 0.858 139 R HN 0.578 nan 8.270 nan 0.000 0.435 140 W N 2.405 123.463 121.300 -0.404 0.000 2.353 140 W HA -0.055 4.604 4.660 -0.001 0.000 0.319 140 W C -1.182 175.164 176.519 -0.288 0.000 1.207 140 W CA 1.141 58.233 57.345 -0.421 0.000 1.291 140 W CB -1.361 27.693 29.460 -0.677 0.000 1.159 140 W HN 0.100 nan 8.180 nan 0.000 0.478 141 P HA -0.114 nan 4.420 nan 0.000 0.218 141 P C 1.760 178.835 177.300 -0.375 0.000 1.148 141 P CA 2.737 65.558 63.100 -0.465 0.000 0.822 141 P CB -0.629 30.920 31.700 -0.252 0.000 0.784 142 G N 0.756 109.416 108.800 -0.233 0.000 2.480 142 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.216 142 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.216 142 G C 1.758 176.533 174.900 -0.207 0.000 1.200 142 G CA 1.256 46.247 45.100 -0.181 0.000 0.782 142 G HN 0.152 nan 8.290 nan 0.000 0.554 143 V N 0.825 120.629 119.914 -0.184 0.000 2.250 143 V HA -0.263 3.857 4.120 -0.001 0.000 0.250 143 V C 2.821 178.765 176.094 -0.250 0.000 1.060 143 V CA 2.601 64.808 62.300 -0.154 0.000 1.030 143 V CB -0.492 31.299 31.823 -0.053 0.000 0.643 143 V HN 0.362 nan 8.190 nan 0.000 0.445 144 K N -0.801 119.329 120.400 -0.449 0.000 2.155 144 K HA -0.102 4.218 4.320 -0.001 0.000 0.203 144 K C 1.994 178.175 176.600 -0.699 0.000 1.052 144 K CA 1.058 56.923 56.287 -0.702 0.000 0.948 144 K CB -0.285 31.451 32.500 -1.273 0.000 0.728 144 K HN 0.293 nan 8.250 nan 0.000 0.448 145 L N 0.798 121.686 121.223 -0.558 0.000 2.027 145 L HA -0.105 4.235 4.340 -0.001 0.000 0.206 145 L C 1.897 178.625 176.870 -0.238 0.000 1.074 145 L CA 1.423 56.070 54.840 -0.321 0.000 0.745 145 L CB -0.424 41.469 42.059 -0.276 0.000 0.898 145 L HN 0.095 nan 8.230 nan 0.000 0.433 146 L N -0.975 120.124 121.223 -0.207 0.000 2.141 146 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 146 L C 2.313 179.120 176.870 -0.105 0.000 1.094 146 L CA 2.196 56.955 54.840 -0.134 0.000 0.763 146 L CB -1.035 40.968 42.059 -0.095 0.000 0.908 146 L HN 0.350 nan 8.230 nan 0.000 0.437 147 T N -1.636 112.849 114.554 -0.116 0.000 2.684 147 T HA -0.208 4.141 4.350 -0.001 0.000 0.267 147 T C 2.081 176.747 174.700 -0.056 0.000 1.036 147 T CA 1.697 63.749 62.100 -0.080 0.000 1.148 147 T CB -0.473 68.344 68.868 -0.086 0.000 0.863 147 T HN 0.360 nan 8.240 nan 0.000 0.436 148 S N 0.650 116.315 115.700 -0.059 0.000 2.368 148 S HA 0.011 4.480 4.470 -0.001 0.000 0.225 148 S C 2.008 176.587 174.600 -0.036 0.000 1.030 148 S CA 0.820 59.015 58.200 -0.008 0.000 0.999 148 S CB -0.514 62.727 63.200 0.068 0.000 0.844 148 S HN 0.395 nan 8.310 nan 0.000 0.459 149 L N 0.616 121.791 121.223 -0.079 0.000 2.042 149 L HA -0.126 4.213 4.340 -0.001 0.000 0.210 149 L C 2.295 179.150 176.870 -0.025 0.000 1.076 149 L CA 0.741 55.543 54.840 -0.064 0.000 0.749 149 L CB -0.504 41.503 42.059 -0.086 0.000 0.893 149 L HN 0.308 nan 8.230 nan 0.000 0.432 150 L N -0.168 121.037 121.223 -0.030 0.000 2.072 150 L HA -0.148 4.192 4.340 -0.001 0.000 0.205 150 L C 2.480 179.342 176.870 -0.014 0.000 1.079 150 L CA 1.678 56.507 54.840 -0.019 0.000 0.752 150 L CB -0.740 41.303 42.059 -0.026 0.000 0.906 150 L HN 0.116 nan 8.230 nan 0.000 0.436 151 K N -1.125 119.266 120.400 -0.014 0.000 2.097 151 K HA -0.165 4.155 4.320 -0.001 0.000 0.206 151 K C 2.074 178.671 176.600 -0.006 0.000 1.049 151 K CA 1.315 57.597 56.287 -0.008 0.000 0.933 151 K CB 0.015 32.513 32.500 -0.004 0.000 0.717 151 K HN 0.439 nan 8.250 nan 0.000 0.442 152 Q N -0.393 119.404 119.800 -0.005 0.000 2.134 152 Q HA 0.057 4.397 4.340 -0.001 0.000 0.195 152 Q C 0.439 176.440 176.000 0.001 0.000 0.958 152 Q CA 0.735 56.536 55.803 -0.002 0.000 0.840 152 Q CB 0.445 29.183 28.738 -0.000 0.000 0.918 152 Q HN 0.218 nan 8.270 nan 0.000 0.467 153 L N 0.786 122.012 121.223 0.005 0.000 2.637 153 L HA 0.340 4.679 4.340 -0.001 0.000 0.241 153 L C 1.042 177.916 176.870 0.007 0.000 1.398 153 L CA -0.529 54.317 54.840 0.009 0.000 0.895 153 L CB 0.933 43.006 42.059 0.022 0.000 1.183 153 L HN 0.173 nan 8.230 nan 0.000 0.497 154 G N 1.409 110.209 108.800 -0.000 0.000 2.480 154 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.216 154 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.216 154 G C -0.748 174.150 174.900 -0.004 0.000 1.200 154 G CA 0.916 46.014 45.100 -0.004 0.000 0.782 154 G HN 0.356 nan 8.290 nan 0.000 0.554 155 P HA -0.090 nan 4.420 nan 0.000 0.216 155 P C 1.864 179.164 177.300 -0.000 0.000 1.150 155 P CA 1.422 64.520 63.100 -0.004 0.000 0.843 155 P CB -0.000 31.698 31.700 -0.003 0.000 0.787 156 Q N -1.209 118.595 119.800 0.006 0.000 2.089 156 Q HA -0.043 4.296 4.340 -0.001 0.000 0.195 156 Q C 2.083 178.092 176.000 0.015 0.000 0.963 156 Q CA 1.034 56.843 55.803 0.011 0.000 0.834 156 Q CB -0.632 28.117 28.738 0.017 0.000 0.906 156 Q HN 0.047 nan 8.270 nan 0.000 0.452 157 V N 1.069 120.994 119.914 0.019 0.000 2.515 157 V HA -0.266 3.853 4.120 -0.001 0.000 0.250 157 V C 2.016 178.115 176.094 0.009 0.000 1.058 157 V CA 1.717 64.031 62.300 0.024 0.000 1.064 157 V CB -0.561 31.279 31.823 0.028 0.000 0.675 157 V HN 0.357 nan 8.190 nan 0.000 0.461 158 Q N -0.484 119.316 119.800 -0.001 0.000 2.124 158 Q HA -0.284 4.056 4.340 -0.001 0.000 0.202 158 Q C 2.394 178.388 176.000 -0.010 0.000 0.977 158 Q CA 1.814 57.611 55.803 -0.010 0.000 0.850 158 Q CB -0.199 28.530 28.738 -0.016 0.000 0.901 158 Q HN 0.542 nan 8.270 nan 0.000 0.429 159 Q N 0.938 120.734 119.800 -0.005 0.000 2.050 159 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 159 Q C 1.774 177.772 176.000 -0.003 0.000 0.980 159 Q CA 1.521 57.321 55.803 -0.005 0.000 0.840 159 Q CB -0.248 28.489 28.738 -0.002 0.000 0.898 159 Q HN 0.410 nan 8.270 nan 0.000 0.424 160 I N -0.248 120.324 120.570 0.002 0.000 2.208 160 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 160 I C 2.079 178.195 176.117 -0.001 0.000 1.097 160 I CA 1.177 62.479 61.300 0.003 0.000 1.363 160 I CB -0.288 37.720 38.000 0.014 0.000 1.051 160 I HN 0.225 nan 8.210 nan 0.000 0.413 161 I N -0.104 120.465 120.570 -0.001 0.000 2.202 161 I HA -0.284 3.886 4.170 -0.001 0.000 0.242 161 I C 2.489 178.598 176.117 -0.013 0.000 1.091 161 I CA 1.101 62.396 61.300 -0.007 0.000 1.368 161 I CB -0.289 37.704 38.000 -0.011 0.000 1.058 161 I HN 0.217 nan 8.210 nan 0.000 0.410 162 L N 0.363 121.577 121.223 -0.015 0.000 2.079 162 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 162 L C 2.232 179.095 176.870 -0.011 0.000 1.081 162 L CA 1.736 56.566 54.840 -0.017 0.000 0.752 162 L CB -0.303 41.743 42.059 -0.020 0.000 0.896 162 L HN -0.024 nan 8.230 nan 0.000 0.433 163 V N -0.922 118.987 119.914 -0.009 0.000 3.041 163 V HA -0.039 4.080 4.120 -0.001 0.000 0.260 163 V C 1.307 177.397 176.094 -0.007 0.000 1.105 163 V CA 0.946 63.242 62.300 -0.007 0.000 1.125 163 V CB -0.517 31.303 31.823 -0.006 0.000 0.730 163 V HN 0.563 nan 8.190 nan 0.000 0.479 164 S N 2.251 117.946 115.700 -0.008 0.000 2.489 164 S HA 0.330 4.800 4.470 -0.001 0.000 0.277 164 S C -2.365 172.230 174.600 -0.009 0.000 1.230 164 S CA -1.368 56.826 58.200 -0.010 0.000 1.053 164 S CB 1.108 64.301 63.200 -0.011 0.000 0.955 164 S HN 0.233 nan 8.310 nan 0.000 0.488 165 P HA 0.140 nan 4.420 nan 0.000 0.275 165 P C 0.312 177.607 177.300 -0.008 0.000 1.227 165 P CA -0.058 63.038 63.100 -0.006 0.000 0.781 165 P CB 0.396 32.093 31.700 -0.005 0.000 0.906 166 M N 0.382 119.979 119.600 -0.004 0.000 2.872 166 M HA -0.183 4.297 4.480 -0.001 0.000 0.183 166 M C 1.346 177.639 176.300 -0.010 0.000 0.631 166 M CA 1.320 56.617 55.300 -0.005 0.000 0.672 166 M CB -3.141 29.455 32.600 -0.006 0.000 2.432 166 M HN 0.611 nan 8.290 nan 0.000 0.376 167 G N 0.214 109.006 108.800 -0.013 0.000 2.459 167 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.217 167 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.217 167 G C 1.404 176.292 174.900 -0.021 0.000 1.183 167 G CA 1.387 46.477 45.100 -0.017 0.000 0.776 167 G HN 0.434 nan 8.290 nan 0.000 0.552 168 V N 1.085 120.985 119.914 -0.023 0.000 2.453 168 V HA -0.145 3.975 4.120 -0.001 0.000 0.247 168 V C 3.106 179.185 176.094 -0.025 0.000 1.048 168 V CA 2.029 64.310 62.300 -0.031 0.000 1.049 168 V CB -0.502 31.293 31.823 -0.046 0.000 0.672 168 V HN 0.364 nan 8.190 nan 0.000 0.457 169 S N -0.034 115.658 115.700 -0.013 0.000 2.365 169 S HA -0.252 4.218 4.470 -0.001 0.000 0.225 169 S C 2.114 176.712 174.600 -0.003 0.000 1.039 169 S CA 1.719 59.918 58.200 -0.003 0.000 1.033 169 S CB -0.367 62.838 63.200 0.007 0.000 0.887 169 S HN 0.517 nan 8.310 nan 0.000 0.447 170 R N 0.604 121.098 120.500 -0.009 0.000 2.073 170 R HA 0.022 4.362 4.340 -0.001 0.000 0.234 170 R C 2.301 178.592 176.300 -0.015 0.000 1.134 170 R CA 1.140 57.232 56.100 -0.014 0.000 0.952 170 R CB -0.589 29.695 30.300 -0.026 0.000 0.850 170 R HN 0.366 nan 8.270 nan 0.000 0.433 171 L N 0.161 121.371 121.223 -0.020 0.000 2.191 171 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 171 L C 2.484 179.346 176.870 -0.014 0.000 1.103 171 L CA 0.789 55.616 54.840 -0.022 0.000 0.769 171 L CB -0.272 41.770 42.059 -0.029 0.000 0.908 171 L HN 0.224 nan 8.230 nan 0.000 0.438 172 M N -0.726 118.866 119.600 -0.012 0.000 2.229 172 M HA -0.171 4.308 4.480 -0.001 0.000 0.264 172 M C 1.624 177.931 176.300 0.012 0.000 1.063 172 M CA 1.377 56.673 55.300 -0.006 0.000 1.114 172 M CB -0.980 31.614 32.600 -0.009 0.000 1.387 172 M HN 0.195 nan 8.290 nan 0.000 0.420 173 D N 0.608 121.021 120.400 0.023 0.000 2.315 173 D HA -0.129 4.511 4.640 -0.001 0.000 0.211 173 D C 2.041 178.375 176.300 0.056 0.000 0.977 173 D CA 0.915 54.945 54.000 0.049 0.000 0.894 173 D CB -0.258 40.582 40.800 0.066 0.000 0.910 173 D HN 0.386 nan 8.370 nan 0.000 0.490 174 L N -0.335 120.907 121.223 0.033 0.000 2.240 174 L HA -0.068 4.272 4.340 -0.001 0.000 0.211 174 L C 2.096 178.982 176.870 0.026 0.000 1.106 174 L CA 0.090 54.948 54.840 0.031 0.000 0.793 174 L CB -0.131 41.933 42.059 0.008 0.000 0.927 174 L HN 0.022 nan 8.230 nan 0.000 0.446 175 L N 0.146 121.381 121.223 0.021 0.000 2.376 175 L HA -0.017 4.323 4.340 -0.001 0.000 0.219 175 L C 2.306 179.191 176.870 0.025 0.000 1.133 175 L CA 1.269 56.121 54.840 0.019 0.000 0.816 175 L CB -0.523 41.545 42.059 0.014 0.000 0.933 175 L HN 0.143 nan 8.230 nan 0.000 0.449 176 A N -2.145 120.694 122.820 0.033 0.000 2.275 176 A HA 0.024 4.344 4.320 -0.001 0.000 0.212 176 A C 0.905 178.506 177.584 0.029 0.000 1.201 176 A CA -0.223 51.834 52.037 0.033 0.000 0.843 176 A CB -0.488 18.537 19.000 0.042 0.000 0.873 176 A HN 0.321 nan 8.150 nan 0.000 0.492 177 D N 0.497 120.919 120.400 0.036 0.000 2.414 177 D HA 0.109 4.749 4.640 -0.001 0.000 0.242 177 D C 1.182 177.490 176.300 0.013 0.000 1.129 177 D CA 0.811 54.832 54.000 0.035 0.000 0.885 177 D CB 1.099 41.927 40.800 0.047 0.000 1.198 177 D HN 0.295 nan 8.370 nan 0.000 0.437 178 S N 3.021 118.720 115.700 -0.001 0.000 2.503 178 S HA 0.057 4.527 4.470 -0.001 0.000 0.217 178 S C 0.875 175.476 174.600 0.002 0.000 0.999 178 S CA -0.216 57.979 58.200 -0.008 0.000 0.914 178 S CB 0.332 63.515 63.200 -0.028 0.000 0.782 178 S HN 0.310 nan 8.310 nan 0.000 0.520 179 R N 2.909 123.425 120.500 0.028 0.000 2.296 179 R HA 0.206 4.546 4.340 -0.001 0.000 0.323 179 R C 1.204 177.518 176.300 0.023 0.000 1.067 179 R CA 0.131 56.261 56.100 0.050 0.000 0.946 179 R CB 0.287 30.690 30.300 0.172 0.000 0.991 179 R HN 0.681 nan 8.270 nan 0.000 0.448 180 E N 2.481 122.677 120.200 -0.005 0.000 2.481 180 E HA -0.076 4.274 4.350 -0.001 0.000 0.195 180 E C 0.478 177.052 176.600 -0.043 0.000 1.047 180 E CA 0.377 56.766 56.400 -0.020 0.000 0.867 180 E CB 0.162 29.849 29.700 -0.021 0.000 0.858 180 E HN 0.325 nan 8.360 nan 0.000 0.513 181 V N 1.130 121.002 119.914 -0.070 0.000 2.626 181 V HA -0.178 3.942 4.120 -0.001 0.000 0.252 181 V C 2.124 178.091 176.094 -0.212 0.000 1.067 181 V CA 1.269 63.464 62.300 -0.176 0.000 1.081 181 V CB -0.338 31.296 31.823 -0.315 0.000 0.686 181 V HN 0.380 nan 8.190 nan 0.000 0.468 182 I N 0.387 120.867 120.570 -0.149 0.000 2.585 182 I HA -0.092 4.078 4.170 -0.001 0.000 0.254 182 I C 2.671 178.772 176.117 -0.026 0.000 1.129 182 I CA 0.943 62.176 61.300 -0.111 0.000 1.455 182 I CB -0.216 37.708 38.000 -0.127 0.000 1.111 182 I HN 0.326 nan 8.210 nan 0.000 0.433 183 R N 0.915 121.406 120.500 -0.015 0.000 2.115 183 R HA -0.037 4.303 4.340 -0.001 0.000 0.226 183 R C 1.727 178.029 176.300 0.004 0.000 1.100 183 R CA 1.348 57.449 56.100 0.001 0.000 0.980 183 R CB -0.477 29.827 30.300 0.005 0.000 0.875 183 R HN 0.200 nan 8.270 nan 0.000 0.445 184 N N 1.159 119.859 118.700 -0.000 0.000 2.080 184 N HA -0.126 4.614 4.740 -0.001 0.000 0.189 184 N C 1.006 176.533 175.510 0.027 0.000 1.036 184 N CA 1.662 54.718 53.050 0.009 0.000 0.846 184 N CB -0.513 37.977 38.487 0.005 0.000 1.015 184 N HN 0.270 nan 8.380 nan 0.000 0.423 185 D N 0.051 120.482 120.400 0.052 0.000 2.218 185 D HA -0.042 4.598 4.640 -0.001 0.000 0.204 185 D C 1.874 178.195 176.300 0.036 0.000 0.976 185 D CA 0.839 54.886 54.000 0.078 0.000 0.853 185 D CB -0.587 40.326 40.800 0.188 0.000 0.939 185 D HN 0.330 nan 8.370 nan 0.000 0.481 186 G N 0.714 109.528 108.800 0.023 0.000 2.459 186 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.217 186 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.217 186 G C 1.851 176.751 174.900 0.001 0.000 1.183 186 G CA 1.031 46.135 45.100 0.006 0.000 0.776 186 G HN 0.260 nan 8.290 nan 0.000 0.552 187 V N 0.977 120.895 119.914 0.005 0.000 2.324 187 V HA -0.177 3.942 4.120 -0.001 0.000 0.250 187 V C 2.903 178.997 176.094 0.000 0.000 1.060 187 V CA 1.605 63.907 62.300 0.003 0.000 1.042 187 V CB -0.471 31.356 31.823 0.007 0.000 0.650 187 V HN 0.341 nan 8.190 nan 0.000 0.450 188 L N -0.705 120.521 121.223 0.004 0.000 2.141 188 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 188 L C 2.455 179.320 176.870 -0.009 0.000 1.094 188 L CA 0.752 55.593 54.840 0.002 0.000 0.763 188 L CB -0.467 41.599 42.059 0.013 0.000 0.908 188 L HN 0.352 nan 8.230 nan 0.000 0.437 189 L N 0.424 121.638 121.223 -0.016 0.000 2.017 189 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 189 L C 2.316 179.171 176.870 -0.027 0.000 1.073 189 L CA 2.010 56.833 54.840 -0.029 0.000 0.745 189 L CB -0.885 41.153 42.059 -0.034 0.000 0.894 189 L HN 0.206 nan 8.230 nan 0.000 0.432 190 L N -0.579 120.630 121.223 -0.023 0.000 2.201 190 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 190 L C 2.693 179.547 176.870 -0.027 0.000 1.105 190 L CA 0.859 55.681 54.840 -0.029 0.000 0.775 190 L CB -0.465 41.576 42.059 -0.030 0.000 0.913 190 L HN 0.374 nan 8.230 nan 0.000 0.440 191 Q N -0.147 119.642 119.800 -0.018 0.000 2.061 191 Q HA -0.240 4.100 4.340 -0.001 0.000 0.204 191 Q C 2.421 178.411 176.000 -0.018 0.000 0.984 191 Q CA 1.919 57.713 55.803 -0.015 0.000 0.846 191 Q CB -0.238 28.495 28.738 -0.009 0.000 0.902 191 Q HN 0.602 nan 8.270 nan 0.000 0.421 192 A N 0.103 122.911 122.820 -0.019 0.000 2.014 192 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 192 A C 1.911 179.481 177.584 -0.023 0.000 1.163 192 A CA 0.735 52.760 52.037 -0.020 0.000 0.652 192 A CB -0.332 18.656 19.000 -0.021 0.000 0.808 192 A HN 0.344 nan 8.150 nan 0.000 0.449 193 L N 0.230 121.436 121.223 -0.028 0.000 2.109 193 L HA -0.065 4.274 4.340 -0.001 0.000 0.207 193 L C 2.577 179.425 176.870 -0.037 0.000 1.086 193 L CA 2.611 57.431 54.840 -0.033 0.000 0.760 193 L CB -0.481 41.555 42.059 -0.038 0.000 0.910 193 L HN 0.510 nan 8.230 nan 0.000 0.437 194 T N -3.340 111.190 114.554 -0.039 0.000 3.067 194 T HA 0.006 4.355 4.350 -0.001 0.000 0.257 194 T C 1.289 175.969 174.700 -0.034 0.000 1.105 194 T CA -0.368 61.705 62.100 -0.046 0.000 1.104 194 T CB -0.363 68.474 68.868 -0.051 0.000 0.925 194 T HN 0.175 nan 8.240 nan 0.000 0.498 195 R N 2.063 122.548 120.500 -0.025 0.000 2.504 195 R HA 0.045 4.384 4.340 -0.001 0.000 0.291 195 R C -0.027 176.261 176.300 -0.020 0.000 0.974 195 R CA 0.766 56.854 56.100 -0.019 0.000 1.077 195 R CB -0.410 29.880 30.300 -0.015 0.000 0.926 195 R HN 0.431 nan 8.270 nan 0.000 0.407 196 S N 2.286 117.975 115.700 -0.017 0.000 3.477 196 S HA -0.202 4.268 4.470 -0.001 0.000 0.357 196 S C -0.217 174.371 174.600 -0.020 0.000 1.083 196 S CA 1.209 59.399 58.200 -0.016 0.000 1.042 196 S CB -1.108 62.084 63.200 -0.013 0.000 0.911 196 S HN 0.806 nan 8.310 nan 0.000 0.490 197 N N -0.069 118.615 118.700 -0.028 0.000 2.617 197 N HA 0.396 5.136 4.740 -0.001 0.000 0.263 197 N C 0.989 176.471 175.510 -0.047 0.000 1.074 197 N CA 0.411 53.440 53.050 -0.034 0.000 0.841 197 N CB 1.152 39.617 38.487 -0.037 0.000 1.221 197 N HN 0.223 nan 8.380 nan 0.000 0.529 198 G N 2.422 111.197 108.800 -0.041 0.000 2.480 198 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.216 198 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.216 198 G C 1.361 176.211 174.900 -0.084 0.000 1.200 198 G CA 1.318 46.388 45.100 -0.050 0.000 0.782 198 G HN 0.626 nan 8.290 nan 0.000 0.554 199 A N 0.911 123.686 122.820 -0.075 0.000 1.873 199 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 199 A C 2.426 179.922 177.584 -0.147 0.000 1.193 199 A CA 1.713 53.691 52.037 -0.098 0.000 0.629 199 A CB -0.487 18.478 19.000 -0.058 0.000 0.826 199 A HN 0.408 nan 8.150 nan 0.000 0.447 200 I N -0.871 119.629 120.570 -0.117 0.000 2.454 200 I HA -0.304 3.866 4.170 -0.001 0.000 0.254 200 I C 2.728 178.738 176.117 -0.179 0.000 1.156 200 I CA 1.557 62.779 61.300 -0.130 0.000 1.433 200 I CB -0.608 37.339 38.000 -0.088 0.000 1.082 200 I HN 0.501 nan 8.210 nan 0.000 0.432 201 Q N 1.011 120.709 119.800 -0.170 0.000 2.046 201 Q HA -0.210 4.129 4.340 -0.001 0.000 0.200 201 Q C 2.229 178.039 176.000 -0.316 0.000 0.975 201 Q CA 1.598 57.291 55.803 -0.183 0.000 0.836 201 Q CB -0.013 28.659 28.738 -0.110 0.000 0.896 201 Q HN 0.377 nan 8.270 nan 0.000 0.428 202 K N 0.383 120.549 120.400 -0.390 0.000 2.044 202 K HA -0.169 4.151 4.320 -0.001 0.000 0.210 202 K C 1.904 177.793 176.600 -1.185 0.000 1.049 202 K CA 1.462 57.302 56.287 -0.746 0.000 0.927 202 K CB -0.166 31.963 32.500 -0.617 0.000 0.713 202 K HN 0.176 nan 8.250 nan 0.000 0.443 203 I N 0.199 120.336 120.570 -0.721 0.000 2.252 203 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 203 I C 2.052 177.968 176.117 -0.336 0.000 1.102 203 I CA 0.826 61.833 61.300 -0.489 0.000 1.385 203 I CB -0.317 37.563 38.000 -0.200 0.000 1.064 203 I HN -0.075 nan 8.210 nan 0.000 0.414 204 V N 1.268 120.996 119.914 -0.310 0.000 2.324 204 V HA -0.349 3.771 4.120 -0.001 0.000 0.250 204 V C 2.709 178.610 176.094 -0.321 0.000 1.060 204 V CA 2.188 64.338 62.300 -0.250 0.000 1.042 204 V CB -1.053 30.639 31.823 -0.219 0.000 0.650 204 V HN 0.539 nan 8.190 nan 0.000 0.450 205 A N -1.054 121.464 122.820 -0.504 0.000 1.968 205 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 205 A C 2.096 179.520 177.584 -0.267 0.000 1.169 205 A CA 1.243 52.921 52.037 -0.599 0.000 0.638 205 A CB -0.610 17.936 19.000 -0.756 0.000 0.812 205 A HN 0.550 nan 8.150 nan 0.000 0.446 206 F N -0.049 119.677 119.950 -0.374 0.000 2.365 206 F HA -0.058 4.468 4.527 -0.001 0.000 0.300 206 F C 1.565 177.312 175.800 -0.087 0.000 1.090 206 F CA 0.303 58.156 58.000 -0.244 0.000 1.408 206 F CB 0.190 39.071 39.000 -0.200 0.000 1.060 206 F HN 0.165 nan 8.300 nan 0.000 0.534 207 E N 0.604 120.848 120.200 0.073 0.000 2.370 207 E HA -0.032 4.318 4.350 -0.001 0.000 0.194 207 E C 0.060 176.682 176.600 0.037 0.000 1.057 207 E CA -0.057 56.371 56.400 0.046 0.000 1.011 207 E CB -0.693 29.008 29.700 0.003 0.000 1.132 207 E HN 0.380 nan 8.360 nan 0.000 0.450 208 N N -0.167 118.580 118.700 0.079 0.000 2.782 208 N HA -0.293 4.447 4.740 -0.001 0.000 0.251 208 N C 0.983 176.507 175.510 0.024 0.000 1.101 208 N CA 0.405 53.517 53.050 0.103 0.000 0.764 208 N CB -0.595 37.961 38.487 0.114 0.000 1.122 208 N HN 0.285 nan 8.380 nan 0.000 0.561 209 A N 0.060 122.826 122.820 -0.090 0.000 1.908 209 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 209 A C 1.749 179.309 177.584 -0.041 0.000 1.181 209 A CA 1.614 53.578 52.037 -0.121 0.000 0.627 209 A CB -0.814 18.040 19.000 -0.243 0.000 0.818 209 A HN 0.489 nan 8.150 nan 0.000 0.445 210 F N -0.526 119.393 119.950 -0.053 0.000 2.069 210 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 210 F C 2.543 178.183 175.800 -0.266 0.000 1.113 210 F CA 1.501 59.360 58.000 -0.234 0.000 1.214 210 F CB -0.223 38.389 39.000 -0.647 0.000 0.978 210 F HN 0.358 nan 8.300 nan 0.000 0.474 211 E N 0.407 120.584 120.200 -0.037 0.000 2.077 211 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 211 E C 2.380 179.048 176.600 0.114 0.000 0.989 211 E CA 0.897 57.371 56.400 0.123 0.000 0.800 211 E CB 0.070 29.912 29.700 0.237 0.000 0.746 211 E HN 0.205 nan 8.360 nan 0.000 0.452 212 R N 0.132 120.686 120.500 0.090 0.000 2.066 212 R HA -0.103 4.237 4.340 -0.001 0.000 0.232 212 R C 2.562 178.914 176.300 0.086 0.000 1.131 212 R CA 1.022 57.167 56.100 0.076 0.000 0.955 212 R CB -0.601 29.731 30.300 0.053 0.000 0.851 212 R HN 0.321 nan 8.270 nan 0.000 0.432 213 L N 0.639 121.924 121.223 0.105 0.000 2.109 213 L HA -0.105 4.234 4.340 -0.001 0.000 0.207 213 L C 2.493 179.463 176.870 0.166 0.000 1.086 213 L CA 0.817 55.732 54.840 0.124 0.000 0.760 213 L CB -0.449 41.698 42.059 0.148 0.000 0.910 213 L HN 0.091 nan 8.230 nan 0.000 0.437 214 L N -0.463 120.881 121.223 0.203 0.000 2.046 214 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 214 L C 2.209 179.185 176.870 0.177 0.000 1.077 214 L CA 1.063 56.047 54.840 0.241 0.000 0.747 214 L CB -0.655 41.534 42.059 0.216 0.000 0.896 214 L HN 0.241 nan 8.230 nan 0.000 0.432 215 D N 0.460 120.937 120.400 0.128 0.000 2.092 215 D HA -0.187 4.453 4.640 -0.001 0.000 0.193 215 D C 2.231 178.576 176.300 0.075 0.000 0.994 215 D CA 1.442 55.497 54.000 0.092 0.000 0.828 215 D CB -0.212 40.632 40.800 0.074 0.000 0.963 215 D HN 0.293 nan 8.370 nan 0.000 0.450 216 I N 0.450 121.062 120.570 0.070 0.000 2.286 216 I HA -0.222 3.948 4.170 -0.001 0.000 0.248 216 I C 2.277 178.418 176.117 0.040 0.000 1.115 216 I CA 0.681 62.008 61.300 0.045 0.000 1.392 216 I CB -0.227 37.795 38.000 0.036 0.000 1.065 216 I HN -0.006 nan 8.210 nan 0.000 0.418 217 I N 0.105 120.714 120.570 0.065 0.000 2.179 217 I HA -0.260 3.909 4.170 -0.001 0.000 0.242 217 I C 2.683 178.836 176.117 0.060 0.000 1.088 217 I CA 1.232 62.560 61.300 0.046 0.000 1.357 217 I CB -0.454 37.587 38.000 0.068 0.000 1.051 217 I HN 0.126 nan 8.210 nan 0.000 0.409 218 S N 0.492 116.257 115.700 0.108 0.000 2.359 218 S HA -0.264 4.205 4.470 -0.001 0.000 0.223 218 S C 1.913 176.535 174.600 0.037 0.000 1.039 218 S CA 1.732 59.980 58.200 0.081 0.000 1.042 218 S CB -0.432 62.814 63.200 0.076 0.000 0.915 218 S HN 0.458 nan 8.310 nan 0.000 0.439 219 E N 0.584 120.802 120.200 0.031 0.000 2.118 219 E HA -0.146 4.204 4.350 -0.001 0.000 0.195 219 E C 1.534 178.134 176.600 -0.001 0.000 0.992 219 E CA 0.926 57.334 56.400 0.014 0.000 0.804 219 E CB -0.055 29.654 29.700 0.014 0.000 0.741 219 E HN 0.372 nan 8.360 nan 0.000 0.458 220 E N -0.469 119.727 120.200 -0.007 0.000 2.494 220 E HA 0.027 4.377 4.350 -0.001 0.000 0.193 220 E C 0.749 177.326 176.600 -0.038 0.000 1.074 220 E CA 0.523 56.908 56.400 -0.025 0.000 0.867 220 E CB 0.587 30.267 29.700 -0.032 0.000 0.924 220 E HN 0.377 nan 8.360 nan 0.000 0.502 221 G N 2.338 111.121 108.800 -0.029 0.000 2.182 221 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.248 221 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.248 221 G C 0.434 175.295 174.900 -0.065 0.000 1.042 221 G CA 0.284 45.359 45.100 -0.041 0.000 0.775 221 G HN 0.227 nan 8.290 nan 0.000 0.501 222 N N -0.663 118.001 118.700 -0.059 0.000 1.293 222 N HA -0.320 4.419 4.740 -0.001 0.000 0.140 222 N C 2.051 177.435 175.510 -0.210 0.000 0.753 222 N CA 3.296 56.277 53.050 -0.114 0.000 0.979 222 N CB -1.565 36.898 38.487 -0.040 0.000 1.228 222 N HN 1.404 nan 8.380 nan 0.000 0.509 223 S N 0.420 115.970 115.700 -0.251 0.000 2.507 223 S HA -0.027 4.443 4.470 -0.001 0.000 0.235 223 S C 0.917 175.381 174.600 -0.227 0.000 0.988 223 S CA 1.406 59.441 58.200 -0.274 0.000 0.944 223 S CB 0.003 63.028 63.200 -0.292 0.000 0.762 223 S HN 0.423 nan 8.310 nan 0.000 0.526 224 D N 1.932 122.215 120.400 -0.195 0.000 2.355 224 D HA 0.175 4.815 4.640 -0.001 0.000 0.218 224 D C 1.236 177.465 176.300 -0.118 0.000 1.004 224 D CA 0.468 54.370 54.000 -0.162 0.000 0.880 224 D CB -0.264 40.453 40.800 -0.140 0.000 0.911 224 D HN 0.560 nan 8.370 nan 0.000 0.528 225 G N -0.093 108.638 108.800 -0.115 0.000 2.631 225 G HA2 0.369 4.329 3.960 -0.001 0.000 0.271 225 G HA3 0.369 4.329 3.960 -0.001 0.000 0.271 225 G C 0.616 175.470 174.900 -0.078 0.000 1.302 225 G CA 0.021 45.069 45.100 -0.087 0.000 1.002 225 G HN 0.175 nan 8.290 nan 0.000 0.519 226 G N -1.638 107.127 108.800 -0.058 0.000 2.736 226 G HA2 0.363 4.322 3.960 -0.001 0.000 0.229 226 G HA3 0.363 4.322 3.960 -0.001 0.000 0.229 226 G C 1.127 176.002 174.900 -0.042 0.000 1.380 226 G CA -0.203 44.871 45.100 -0.044 0.000 1.040 226 G HN 0.708 nan 8.290 nan 0.000 0.568 227 I N 0.004 120.559 120.570 -0.026 0.000 2.800 227 I HA -0.162 4.008 4.170 -0.001 0.000 0.266 227 I C 2.225 178.328 176.117 -0.024 0.000 1.249 227 I CA 0.722 62.010 61.300 -0.020 0.000 1.458 227 I CB 0.102 38.099 38.000 -0.005 0.000 1.093 227 I HN 0.105 nan 8.210 nan 0.000 0.466 228 V N -0.045 119.853 119.914 -0.027 0.000 2.358 228 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 228 V C 2.348 178.418 176.094 -0.039 0.000 1.047 228 V CA 1.743 64.028 62.300 -0.025 0.000 1.035 228 V CB -0.634 31.176 31.823 -0.022 0.000 0.658 228 V HN 0.527 nan 8.190 nan 0.000 0.452 229 V N 0.022 119.898 119.914 -0.064 0.000 2.488 229 V HA -0.188 3.932 4.120 -0.001 0.000 0.246 229 V C 2.354 178.381 176.094 -0.111 0.000 1.046 229 V CA 2.407 64.646 62.300 -0.101 0.000 1.053 229 V CB -0.053 31.682 31.823 -0.147 0.000 0.679 229 V HN 0.692 nan 8.190 nan 0.000 0.458 230 E N -0.196 119.951 120.200 -0.088 0.000 2.070 230 E HA -0.314 4.035 4.350 -0.001 0.000 0.197 230 E C 1.856 178.425 176.600 -0.052 0.000 1.004 230 E CA 2.122 58.479 56.400 -0.071 0.000 0.805 230 E CB -0.185 29.488 29.700 -0.045 0.000 0.744 230 E HN 0.712 nan 8.360 nan 0.000 0.451 231 D N -0.191 120.188 120.400 -0.035 0.000 2.144 231 D HA -0.120 4.520 4.640 -0.001 0.000 0.200 231 D C 2.031 178.323 176.300 -0.014 0.000 0.978 231 D CA 0.995 54.983 54.000 -0.018 0.000 0.833 231 D CB -0.455 40.341 40.800 -0.008 0.000 0.961 231 D HN 0.314 nan 8.370 nan 0.000 0.470 232 C N 0.371 119.660 119.300 -0.019 0.000 2.432 232 C HA 0.024 4.484 4.460 -0.001 0.000 0.280 232 C C 2.834 177.825 174.990 0.002 0.000 1.353 232 C CA 0.004 59.023 59.018 0.002 0.000 1.766 232 C CB -1.036 26.710 27.740 0.010 0.000 1.924 232 C HN 0.326 nan 8.230 nan 0.000 0.509 233 L N 0.315 121.507 121.223 -0.052 0.000 2.072 233 L HA -0.063 4.277 4.340 -0.001 0.000 0.205 233 L C 2.445 179.303 176.870 -0.019 0.000 1.079 233 L CA 1.375 56.173 54.840 -0.070 0.000 0.752 233 L CB -0.479 41.482 42.059 -0.163 0.000 0.906 233 L HN 0.280 nan 8.230 nan 0.000 0.436 234 I N -0.390 120.169 120.570 -0.019 0.000 2.163 234 I HA -0.332 3.838 4.170 -0.001 0.000 0.243 234 I C 2.507 178.630 176.117 0.011 0.000 1.085 234 I CA 1.189 62.486 61.300 -0.005 0.000 1.347 234 I CB -0.266 37.729 38.000 -0.008 0.000 1.044 234 I HN 0.212 nan 8.210 nan 0.000 0.408 235 L N 0.754 121.987 121.223 0.016 0.000 1.989 235 L HA -0.213 4.127 4.340 -0.001 0.000 0.211 235 L C 2.335 179.242 176.870 0.062 0.000 1.071 235 L CA 1.852 56.708 54.840 0.026 0.000 0.749 235 L CB -0.630 41.442 42.059 0.021 0.000 0.890 235 L HN 0.143 nan 8.230 nan 0.000 0.431 236 L N -0.480 120.802 121.223 0.100 0.000 2.081 236 L HA -0.279 4.061 4.340 -0.001 0.000 0.212 236 L C 2.723 179.661 176.870 0.114 0.000 1.080 236 L CA 1.988 56.933 54.840 0.175 0.000 0.754 236 L CB -0.652 41.525 42.059 0.197 0.000 0.893 236 L HN 0.609 nan 8.230 nan 0.000 0.433 237 Q N -0.564 119.271 119.800 0.058 0.000 2.245 237 Q HA -0.166 4.174 4.340 -0.001 0.000 0.201 237 Q C 1.681 177.697 176.000 0.028 0.000 0.955 237 Q CA 1.143 56.964 55.803 0.030 0.000 0.870 237 Q CB -0.124 28.624 28.738 0.017 0.000 0.945 237 Q HN 0.391 nan 8.270 nan 0.000 0.461 238 N N 1.361 120.078 118.700 0.028 0.000 2.104 238 N HA -0.126 4.613 4.740 -0.001 0.000 0.190 238 N C 1.784 177.310 175.510 0.026 0.000 1.024 238 N CA 1.447 54.507 53.050 0.016 0.000 0.853 238 N CB -0.252 38.237 38.487 0.003 0.000 1.008 238 N HN 0.313 nan 8.380 nan 0.000 0.424 239 L N -0.485 120.775 121.223 0.063 0.000 2.217 239 L HA -0.013 4.327 4.340 -0.001 0.000 0.211 239 L C 1.714 178.673 176.870 0.149 0.000 1.107 239 L CA 0.688 55.588 54.840 0.099 0.000 0.783 239 L CB -0.132 42.038 42.059 0.184 0.000 0.919 239 L HN 0.134 nan 8.230 nan 0.000 0.442 240 L N -1.465 119.821 121.223 0.104 0.000 2.467 240 L HA 0.113 4.453 4.340 -0.001 0.000 0.213 240 L C 1.154 178.032 176.870 0.014 0.000 1.053 240 L CA 0.024 54.890 54.840 0.043 0.000 0.847 240 L CB 0.187 42.193 42.059 -0.088 0.000 1.075 240 L HN -0.015 nan 8.230 nan 0.000 0.479 241 K N 1.667 122.073 120.400 0.009 0.000 2.447 241 K HA -0.047 4.272 4.320 -0.001 0.000 0.281 241 K C -0.111 176.494 176.600 0.008 0.000 1.031 241 K CA 0.200 56.489 56.287 0.004 0.000 1.019 241 K CB 0.237 32.737 32.500 0.001 0.000 0.918 241 K HN 0.164 nan 8.250 nan 0.000 0.476 242 N N 1.885 120.589 118.700 0.007 0.000 2.741 242 N HA -0.235 4.504 4.740 -0.001 0.000 0.250 242 N C -1.222 174.297 175.510 0.016 0.000 1.115 242 N CA 0.845 53.900 53.050 0.009 0.000 0.724 242 N CB -1.202 37.287 38.487 0.003 0.000 1.090 242 N HN 0.632 nan 8.380 nan 0.000 0.558 243 N N 0.576 119.292 118.700 0.027 0.000 2.648 243 N HA 0.232 4.972 4.740 -0.001 0.000 0.261 243 N C 0.338 175.887 175.510 0.064 0.000 1.138 243 N CA -0.405 52.669 53.050 0.040 0.000 0.804 243 N CB 0.402 38.913 38.487 0.041 0.000 1.237 243 N HN -0.021 nan 8.380 nan 0.000 0.532 244 N N 0.419 119.156 118.700 0.062 0.000 2.188 244 N HA -0.127 4.613 4.740 -0.001 0.000 0.184 244 N C 1.533 177.114 175.510 0.118 0.000 1.018 244 N CA 0.753 53.851 53.050 0.079 0.000 0.858 244 N CB -0.016 38.510 38.487 0.064 0.000 0.989 244 N HN 0.391 nan 8.380 nan 0.000 0.426 245 S N 1.132 116.902 115.700 0.117 0.000 2.370 245 S HA -0.099 4.370 4.470 -0.001 0.000 0.226 245 S C 1.631 176.377 174.600 0.245 0.000 1.033 245 S CA 1.266 59.561 58.200 0.158 0.000 1.011 245 S CB -0.114 63.157 63.200 0.117 0.000 0.852 245 S HN 0.265 nan 8.310 nan 0.000 0.457 246 N N 0.681 119.517 118.700 0.227 0.000 2.376 246 N HA 0.093 4.833 4.740 -0.001 0.000 0.177 246 N C 1.852 177.617 175.510 0.426 0.000 1.024 246 N CA 0.610 53.887 53.050 0.379 0.000 0.893 246 N CB -0.262 38.404 38.487 0.297 0.000 0.980 246 N HN 0.518 nan 8.380 nan 0.000 0.439 247 Q N 0.115 120.058 119.800 0.238 0.000 2.084 247 Q HA -0.080 4.260 4.340 -0.001 0.000 0.202 247 Q C 1.753 177.893 176.000 0.235 0.000 0.978 247 Q CA 0.939 56.839 55.803 0.162 0.000 0.844 247 Q CB -0.135 28.652 28.738 0.082 0.000 0.898 247 Q HN 0.441 nan 8.270 nan 0.000 0.426 248 N N 0.115 118.960 118.700 0.240 0.000 2.120 248 N HA -0.174 4.566 4.740 -0.001 0.000 0.188 248 N C 1.713 177.403 175.510 0.300 0.000 1.024 248 N CA 0.938 54.125 53.050 0.229 0.000 0.852 248 N CB -0.087 38.518 38.487 0.197 0.000 1.003 248 N HN 0.161 nan 8.380 nan 0.000 0.424 249 F N 0.902 121.013 119.950 0.268 0.000 2.171 249 F HA -0.136 4.391 4.527 -0.001 0.000 0.300 249 F C 2.088 178.127 175.800 0.398 0.000 1.090 249 F CA 1.063 59.267 58.000 0.339 0.000 1.293 249 F CB -0.584 38.679 39.000 0.439 0.000 1.013 249 F HN 0.016 nan 8.300 nan 0.000 0.486 250 F N 1.080 121.163 119.950 0.221 0.000 2.113 250 F HA -0.123 4.404 4.527 -0.001 0.000 0.297 250 F C 2.561 178.371 175.800 0.017 0.000 1.103 250 F CA 1.899 59.889 58.000 -0.015 0.000 1.248 250 F CB -0.547 38.241 39.000 -0.354 0.000 0.999 250 F HN -0.184 nan 8.300 nan 0.000 0.475 251 K N 0.571 121.099 120.400 0.213 0.000 1.973 251 K HA -0.248 4.072 4.320 -0.001 0.000 0.212 251 K C 2.065 178.617 176.600 -0.079 0.000 1.047 251 K CA 1.965 58.292 56.287 0.067 0.000 0.937 251 K CB -0.574 31.990 32.500 0.107 0.000 0.721 251 K HN 0.157 nan 8.250 nan 0.000 0.440 252 E N -0.251 119.921 120.200 -0.046 0.000 2.187 252 E HA -0.141 4.209 4.350 -0.001 0.000 0.199 252 E C 1.526 177.979 176.600 -0.245 0.000 1.004 252 E CA 1.553 57.892 56.400 -0.101 0.000 0.813 252 E CB -0.549 29.134 29.700 -0.027 0.000 0.736 252 E HN 0.540 nan 8.360 nan 0.000 0.468 253 G N -1.527 107.039 108.800 -0.390 0.000 2.985 253 G HA2 0.004 3.963 3.960 -0.001 0.000 0.209 253 G HA3 0.004 3.963 3.960 -0.001 0.000 0.209 253 G C 0.138 174.465 174.900 -0.954 0.000 1.165 253 G CA 0.471 45.161 45.100 -0.684 0.000 0.776 253 G HN 0.112 nan 8.290 nan 0.000 0.541 254 S N -1.578 113.749 115.700 -0.622 0.000 3.698 254 S HA -0.209 4.260 4.470 -0.001 0.000 0.338 254 S C 0.778 174.991 174.600 -0.646 0.000 1.089 254 S CA 0.878 58.765 58.200 -0.521 0.000 0.991 254 S CB -1.981 60.973 63.200 -0.410 0.000 0.909 254 S HN 0.604 nan 8.310 nan 0.000 0.485 255 Y N -0.351 119.572 120.300 -0.628 0.000 2.503 255 Y HA 0.320 4.869 4.550 -0.001 0.000 0.278 255 Y C 2.143 177.626 175.900 -0.696 0.000 1.111 255 Y CA -0.009 57.583 58.100 -0.847 0.000 1.270 255 Y CB -0.242 37.302 38.460 -1.527 0.000 1.063 255 Y HN 0.407 nan 8.280 nan 0.000 0.548 256 I N 0.845 121.205 120.570 -0.350 0.000 2.145 256 I HA -0.432 3.738 4.170 -0.001 0.000 0.244 256 I C 2.501 178.544 176.117 -0.124 0.000 1.075 256 I CA 2.143 63.429 61.300 -0.024 0.000 1.332 256 I CB -0.470 37.553 38.000 0.038 0.000 1.033 256 I HN 0.380 nan 8.210 nan 0.000 0.410 257 Q N 0.942 120.644 119.800 -0.164 0.000 2.364 257 Q HA -0.179 4.161 4.340 -0.001 0.000 0.209 257 Q C 1.850 177.740 176.000 -0.184 0.000 0.977 257 Q CA 1.074 56.786 55.803 -0.151 0.000 0.885 257 Q CB -0.353 28.299 28.738 -0.144 0.000 0.941 257 Q HN 0.535 nan 8.270 nan 0.000 0.464 258 R N 0.122 120.484 120.500 -0.229 0.000 2.275 258 R HA 0.173 4.513 4.340 -0.001 0.000 0.199 258 R C 1.775 177.731 176.300 -0.573 0.000 0.989 258 R CA 0.623 56.564 56.100 -0.264 0.000 1.016 258 R CB -0.011 30.198 30.300 -0.151 0.000 0.918 258 R HN 0.397 nan 8.270 nan 0.000 0.473 259 M N 0.281 119.482 119.600 -0.665 0.000 2.619 259 M HA -0.018 4.462 4.480 -0.001 0.000 0.251 259 M C 2.068 178.055 176.300 -0.522 0.000 1.106 259 M CA 1.111 55.736 55.300 -1.126 0.000 1.086 259 M CB -0.025 32.216 32.600 -0.598 0.000 1.465 259 M HN 0.008 nan 8.290 nan 0.000 0.506 260 K N 1.373 121.629 120.400 -0.240 0.000 2.021 260 K HA -0.029 4.290 4.320 -0.001 0.000 0.205 260 K C -0.941 175.689 176.600 0.050 0.000 1.047 260 K CA 0.839 57.143 56.287 0.027 0.000 0.943 260 K CB -0.637 31.861 32.500 -0.004 0.000 0.725 260 K HN 0.044 nan 8.250 nan 0.000 0.439 261 P HA -0.152 nan 4.420 nan 0.000 0.223 261 P C 0.193 177.534 177.300 0.068 0.000 1.144 261 P CA 0.805 63.920 63.100 0.025 0.000 0.783 261 P CB -0.136 31.572 31.700 0.012 0.000 0.771 262 W N -1.329 119.822 121.300 -0.249 0.000 2.321 262 W HA -0.108 4.552 4.660 -0.001 0.000 0.285 262 W C 1.088 177.243 176.519 -0.606 0.000 1.213 262 W CA 0.951 57.969 57.345 -0.546 0.000 1.205 262 W CB -1.661 27.254 29.460 -0.908 0.000 1.134 262 W HN 0.036 nan 8.180 nan 0.000 0.549 263 F N -0.144 119.935 119.950 0.214 0.000 2.647 263 F HA 0.197 4.724 4.527 -0.000 0.000 0.300 263 F C 0.267 176.134 175.800 0.112 0.000 1.106 263 F CA -0.606 57.486 58.000 0.154 0.000 1.313 263 F CB -0.660 38.427 39.000 0.145 0.000 1.007 263 F HN -0.378 nan 8.300 nan 0.000 0.536 264 E N 1.041 121.352 120.200 0.184 0.000 2.166 264 E HA 0.160 4.510 4.350 -0.001 0.000 0.279 264 E C 0.363 177.028 176.600 0.109 0.000 1.095 264 E CA -0.163 56.315 56.400 0.129 0.000 0.888 264 E CB 0.780 30.520 29.700 0.068 0.000 1.041 264 E HN 0.113 nan 8.360 nan 0.000 0.414 272 W N 0.933 122.237 121.300 0.007 0.000 4.611 272 W HA -0.177 4.484 4.660 0.002 0.000 0.433 272 W C 0.914 177.439 176.519 0.009 0.000 1.733 272 W CA 0.598 57.948 57.345 0.008 0.000 0.794 272 W CB -1.742 27.725 29.460 0.011 0.000 2.924 272 W HN 1.081 nan 8.180 nan 0.000 1.035 273 S N 0.161 115.923 115.700 0.104 0.000 2.624 273 S HA 0.673 5.143 4.470 -0.001 0.000 0.263 273 S C 1.261 175.923 174.600 0.103 0.000 1.287 273 S CA 0.057 58.307 58.200 0.083 0.000 0.990 273 S CB 1.773 64.986 63.200 0.022 0.000 0.950 273 S HN 0.721 nan 8.310 nan 0.000 0.561 274 A N 0.332 123.201 122.820 0.083 0.000 1.978 274 A HA -0.118 4.201 4.320 -0.001 0.000 0.220 274 A C 2.243 179.867 177.584 0.066 0.000 1.170 274 A CA 1.953 54.040 52.037 0.085 0.000 0.636 274 A CB -1.158 17.879 19.000 0.061 0.000 0.810 274 A HN 0.860 nan 8.150 nan 0.000 0.448 275 Q N 0.102 119.920 119.800 0.031 0.000 2.083 275 Q HA -0.124 4.215 4.340 -0.001 0.000 0.198 275 Q C 2.025 178.012 176.000 -0.023 0.000 0.969 275 Q CA 2.210 58.014 55.803 0.001 0.000 0.838 275 Q CB -0.290 28.436 28.738 -0.020 0.000 0.900 275 Q HN 0.670 nan 8.270 nan 0.000 0.436 276 K N -0.853 119.514 120.400 -0.054 0.000 2.032 276 K HA -0.134 4.186 4.320 -0.001 0.000 0.209 276 K C 1.812 178.382 176.600 -0.050 0.000 1.048 276 K CA 1.573 57.771 56.287 -0.148 0.000 0.927 276 K CB -0.207 32.095 32.500 -0.330 0.000 0.712 276 K HN 0.128 nan 8.250 nan 0.000 0.441 277 V N 1.101 121.087 119.914 0.120 0.000 2.252 277 V HA -0.314 3.805 4.120 -0.001 0.000 0.249 277 V C 2.254 178.467 176.094 0.198 0.000 1.056 277 V CA 2.463 64.911 62.300 0.247 0.000 1.022 277 V CB -0.916 31.083 31.823 0.293 0.000 0.641 277 V HN 0.519 nan 8.190 nan 0.000 0.445 278 T N 0.478 115.120 114.554 0.148 0.000 2.635 278 T HA -0.224 4.126 4.350 -0.001 0.000 0.267 278 T C 1.831 176.567 174.700 0.059 0.000 1.040 278 T CA 1.959 64.127 62.100 0.114 0.000 1.156 278 T CB -0.465 68.434 68.868 0.052 0.000 0.863 278 T HN 0.463 nan 8.240 nan 0.000 0.430 279 N N 1.065 119.752 118.700 -0.021 0.000 2.069 279 N HA -0.034 4.706 4.740 -0.001 0.000 0.191 279 N C 1.750 177.189 175.510 -0.119 0.000 1.031 279 N CA 0.805 53.789 53.050 -0.110 0.000 0.852 279 N CB -0.688 37.694 38.487 -0.175 0.000 1.018 279 N HN 0.218 nan 8.380 nan 0.000 0.423 280 L N 0.720 121.905 121.223 -0.063 0.000 2.141 280 L HA -0.086 4.253 4.340 -0.001 0.000 0.209 280 L C 2.163 179.073 176.870 0.067 0.000 1.094 280 L CA 1.365 56.195 54.840 -0.017 0.000 0.763 280 L CB -0.389 41.703 42.059 0.055 0.000 0.908 280 L HN 0.263 nan 8.230 nan 0.000 0.437 281 H N -0.792 118.331 119.070 0.088 0.000 2.387 281 H HA -0.070 4.486 4.556 -0.001 0.000 0.299 281 H C 2.183 177.547 175.328 0.060 0.000 1.090 281 H CA 1.783 57.884 56.048 0.088 0.000 1.332 281 H CB 0.072 29.873 29.762 0.065 0.000 1.386 281 H HN 0.342 nan 8.280 nan 0.000 0.516 282 L N -0.442 120.855 121.223 0.124 0.000 2.131 282 L HA -0.105 4.234 4.340 -0.001 0.000 0.206 282 L C 2.669 179.556 176.870 0.028 0.000 1.087 282 L CA 0.461 55.328 54.840 0.044 0.000 0.767 282 L CB -0.287 41.756 42.059 -0.026 0.000 0.917 282 L HN 0.160 nan 8.230 nan 0.000 0.441 283 M N -0.708 118.870 119.600 -0.038 0.000 2.108 283 M HA -0.239 4.241 4.480 -0.001 0.000 0.261 283 M C 2.097 178.661 176.300 0.441 0.000 1.066 283 M CA 1.645 56.976 55.300 0.052 0.000 1.107 283 M CB -0.329 32.157 32.600 -0.191 0.000 1.356 283 M HN 0.176 nan 8.290 nan 0.000 0.406 284 L N 0.030 121.487 121.223 0.390 0.000 2.109 284 L HA -0.133 4.207 4.340 -0.001 0.000 0.207 284 L C 2.376 179.375 176.870 0.215 0.000 1.086 284 L CA 1.767 56.804 54.840 0.329 0.000 0.760 284 L CB -1.188 41.008 42.059 0.230 0.000 0.910 284 L HN 0.353 nan 8.230 nan 0.000 0.437 285 Q N -0.926 118.982 119.800 0.180 0.000 2.119 285 Q HA -0.144 4.196 4.340 -0.001 0.000 0.201 285 Q C 2.314 178.376 176.000 0.102 0.000 0.972 285 Q CA 1.082 56.955 55.803 0.117 0.000 0.847 285 Q CB -0.112 28.678 28.738 0.087 0.000 0.903 285 Q HN 0.445 nan 8.270 nan 0.000 0.433 286 L N -0.309 120.998 121.223 0.140 0.000 2.046 286 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 286 L C 2.300 179.236 176.870 0.109 0.000 1.077 286 L CA 0.749 55.661 54.840 0.122 0.000 0.747 286 L CB -0.482 41.710 42.059 0.222 0.000 0.896 286 L HN 0.107 nan 8.230 nan 0.000 0.432 287 V N -0.131 119.904 119.914 0.201 0.000 2.295 287 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 287 V C 2.622 178.757 176.094 0.068 0.000 1.049 287 V CA 1.750 64.135 62.300 0.141 0.000 1.024 287 V CB -0.627 31.299 31.823 0.173 0.000 0.648 287 V HN 0.410 nan 8.190 nan 0.000 0.447 288 R N -0.538 120.004 120.500 0.071 0.000 2.096 288 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 288 R C 2.264 178.578 176.300 0.024 0.000 1.127 288 R CA 1.346 57.472 56.100 0.044 0.000 0.968 288 R CB -0.610 29.722 30.300 0.054 0.000 0.861 288 R HN 0.391 nan 8.270 nan 0.000 0.440 289 V N 1.610 121.534 119.914 0.015 0.000 2.324 289 V HA -0.259 3.861 4.120 -0.001 0.000 0.250 289 V C 2.240 178.324 176.094 -0.016 0.000 1.060 289 V CA 1.738 64.034 62.300 -0.008 0.000 1.042 289 V CB -0.350 31.456 31.823 -0.028 0.000 0.650 289 V HN 0.335 nan 8.190 nan 0.000 0.450 290 L N 0.144 121.352 121.223 -0.026 0.000 2.275 290 L HA -0.040 4.300 4.340 -0.001 0.000 0.215 290 L C 1.574 178.450 176.870 0.010 0.000 1.119 290 L CA 1.181 56.009 54.840 -0.020 0.000 0.790 290 L CB -0.196 41.848 42.059 -0.026 0.000 0.919 290 L HN 0.502 nan 8.230 nan 0.000 0.443 291 V N -4.805 115.116 119.914 0.012 0.000 2.915 291 V HA 0.249 4.369 4.120 -0.001 0.000 0.364 291 V C 0.498 176.597 176.094 0.009 0.000 1.354 291 V CA -0.601 61.707 62.300 0.014 0.000 1.213 291 V CB 0.305 32.135 31.823 0.012 0.000 1.268 291 V HN 0.164 nan 8.190 nan 0.000 0.557 292 S N 1.780 117.485 115.700 0.008 0.000 2.528 292 S HA 0.439 4.908 4.470 -0.001 0.000 0.277 292 S C -1.084 173.515 174.600 -0.002 0.000 1.297 292 S CA -0.623 57.579 58.200 0.004 0.000 1.052 292 S CB 1.348 64.549 63.200 0.001 0.000 0.917 292 S HN 0.379 nan 8.310 nan 0.000 0.492 293 P HA -0.033 nan 4.420 nan 0.000 0.222 293 P C 1.051 178.342 177.300 -0.015 0.000 1.142 293 P CA 0.975 64.060 63.100 -0.026 0.000 0.788 293 P CB 0.070 31.731 31.700 -0.065 0.000 0.767 294 T N -1.803 112.743 114.554 -0.014 0.000 3.067 294 T HA 0.051 4.401 4.350 -0.001 0.000 0.261 294 T C 0.850 175.553 174.700 0.007 0.000 1.110 294 T CA 0.269 62.364 62.100 -0.007 0.000 1.113 294 T CB -0.558 68.301 68.868 -0.014 0.000 0.917 294 T HN 0.094 nan 8.240 nan 0.000 0.499 295 N N 2.190 120.897 118.700 0.011 0.000 2.444 295 N HA 0.232 4.971 4.740 -0.001 0.000 0.255 295 N C -2.593 172.932 175.510 0.026 0.000 1.255 295 N CA -1.627 51.435 53.050 0.020 0.000 0.933 295 N CB 0.077 38.578 38.487 0.023 0.000 1.143 295 N HN 0.042 nan 8.380 nan 0.000 0.453 296 P HA -0.034 nan 4.420 nan 0.000 0.263 296 P C -1.596 175.724 177.300 0.034 0.000 1.168 296 P CA -0.612 62.508 63.100 0.033 0.000 0.759 296 P CB 0.172 31.894 31.700 0.037 0.000 0.782 297 P HA -0.163 nan 4.420 nan 0.000 0.216 297 P C 1.414 178.734 177.300 0.033 0.000 1.150 297 P CA 1.878 65.000 63.100 0.037 0.000 0.837 297 P CB -0.349 31.375 31.700 0.039 0.000 0.786 298 G N -0.196 108.623 108.800 0.031 0.000 2.534 298 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.217 298 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.217 298 G C 1.696 176.616 174.900 0.034 0.000 1.128 298 G CA 0.732 45.849 45.100 0.029 0.000 0.784 298 G HN 0.373 nan 8.290 nan 0.000 0.542 299 A N 0.350 123.194 122.820 0.039 0.000 1.898 299 A HA 0.072 4.391 4.320 -0.001 0.000 0.214 299 A C 2.503 180.112 177.584 0.042 0.000 1.183 299 A CA 2.180 54.245 52.037 0.046 0.000 0.622 299 A CB -0.706 18.324 19.000 0.050 0.000 0.824 299 A HN 0.239 nan 8.150 nan 0.000 0.444 300 T N -0.008 114.567 114.554 0.035 0.000 2.737 300 T HA -0.103 4.247 4.350 -0.001 0.000 0.265 300 T C 2.273 176.991 174.700 0.030 0.000 1.038 300 T CA 1.584 63.703 62.100 0.031 0.000 1.144 300 T CB -0.362 68.521 68.868 0.026 0.000 0.866 300 T HN 0.444 nan 8.240 nan 0.000 0.434 301 S N 1.808 117.525 115.700 0.028 0.000 2.380 301 S HA -0.206 4.264 4.470 -0.001 0.000 0.229 301 S C 2.465 177.078 174.600 0.021 0.000 1.050 301 S CA 1.994 60.206 58.200 0.020 0.000 1.100 301 S CB -0.574 62.635 63.200 0.016 0.000 0.984 301 S HN 0.771 nan 8.310 nan 0.000 0.434 302 S N 0.130 115.845 115.700 0.026 0.000 2.436 302 S HA -0.038 4.432 4.470 -0.001 0.000 0.228 302 S C 2.018 176.639 174.600 0.035 0.000 1.014 302 S CA 0.925 59.141 58.200 0.027 0.000 0.950 302 S CB -0.867 62.350 63.200 0.028 0.000 0.784 302 S HN 0.599 nan 8.310 nan 0.000 0.504 303 C N 1.749 121.075 119.300 0.043 0.000 2.466 303 C HA 0.012 4.471 4.460 -0.001 0.000 0.278 303 C C 3.001 178.020 174.990 0.049 0.000 1.288 303 C CA 0.634 59.683 59.018 0.052 0.000 1.722 303 C CB -1.387 26.387 27.740 0.057 0.000 2.017 303 C HN 0.629 nan 8.230 nan 0.000 0.488 304 Q N 0.690 120.516 119.800 0.042 0.000 2.112 304 Q HA -0.253 4.087 4.340 -0.001 0.000 0.206 304 Q C 2.206 178.247 176.000 0.068 0.000 0.987 304 Q CA 1.728 57.559 55.803 0.046 0.000 0.858 304 Q CB -0.127 28.629 28.738 0.030 0.000 0.905 304 Q HN 0.636 nan 8.270 nan 0.000 0.420 305 K N -0.077 120.354 120.400 0.052 0.000 2.057 305 K HA -0.083 4.237 4.320 -0.001 0.000 0.206 305 K C 2.021 178.682 176.600 0.102 0.000 1.050 305 K CA 1.044 57.370 56.287 0.064 0.000 0.935 305 K CB -0.132 32.383 32.500 0.025 0.000 0.715 305 K HN 0.167 nan 8.250 nan 0.000 0.439 306 A N 0.820 123.676 122.820 0.061 0.000 1.933 306 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 306 A C 2.076 179.680 177.584 0.035 0.000 1.175 306 A CA 1.598 53.657 52.037 0.038 0.000 0.628 306 A CB -0.460 18.549 19.000 0.016 0.000 0.814 306 A HN 0.226 nan 8.150 nan 0.000 0.444 307 M N -2.289 117.341 119.600 0.051 0.000 2.229 307 M HA -0.027 4.453 4.480 -0.001 0.000 0.264 307 M C 2.019 178.331 176.300 0.020 0.000 1.063 307 M CA 1.399 56.717 55.300 0.029 0.000 1.114 307 M CB -0.291 32.331 32.600 0.037 0.000 1.387 307 M HN 0.580 nan 8.290 nan 0.000 0.420 308 F N 1.164 121.075 119.950 -0.064 0.000 2.084 308 F HA -0.221 4.305 4.527 -0.001 0.000 0.296 308 F C 2.521 178.260 175.800 -0.101 0.000 1.111 308 F CA 1.538 59.477 58.000 -0.101 0.000 1.224 308 F CB -0.207 38.746 39.000 -0.077 0.000 0.991 308 F HN 0.021 nan 8.300 nan 0.000 0.471 309 Q N 0.167 120.042 119.800 0.125 0.000 2.181 309 Q HA -0.215 4.125 4.340 -0.001 0.000 0.205 309 Q C 2.352 178.285 176.000 -0.112 0.000 0.980 309 Q CA 1.694 57.517 55.803 0.033 0.000 0.862 309 Q CB -1.420 27.365 28.738 0.078 0.000 0.905 309 Q HN 0.686 nan 8.270 nan 0.000 0.429 310 C N -2.507 116.723 119.300 -0.116 0.000 2.855 310 C HA 0.666 5.126 4.460 -0.001 0.000 0.279 310 C C 1.438 176.335 174.990 -0.155 0.000 1.270 310 C CA -0.021 58.923 59.018 -0.123 0.000 1.702 310 C CB -0.519 27.165 27.740 -0.094 0.000 1.949 310 C HN 0.555 nan 8.230 nan 0.000 0.618 311 G N 1.157 109.811 108.800 -0.244 0.000 2.143 311 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.248 311 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.248 311 G C 0.388 175.192 174.900 -0.160 0.000 0.991 311 G CA 0.582 45.529 45.100 -0.255 0.000 0.689 311 G HN 0.817 nan 8.290 nan 0.000 0.522 312 L N -0.231 120.922 121.223 -0.117 0.000 2.095 312 L HA 0.395 4.735 4.340 -0.001 0.000 0.204 312 L C 2.483 179.310 176.870 -0.072 0.000 1.080 312 L CA 2.460 57.273 54.840 -0.044 0.000 0.759 312 L CB -0.496 41.560 42.059 -0.004 0.000 0.914 312 L HN 0.369 nan 8.230 nan 0.000 0.439 313 L N -0.183 120.987 121.223 -0.087 0.000 1.970 313 L HA -0.262 4.078 4.340 -0.001 0.000 0.212 313 L C 2.496 179.345 176.870 -0.035 0.000 1.071 313 L CA 1.950 56.766 54.840 -0.041 0.000 0.751 313 L CB -0.835 41.232 42.059 0.014 0.000 0.889 313 L HN 0.356 nan 8.230 nan 0.000 0.432 314 Q N -0.620 119.057 119.800 -0.206 0.000 2.118 314 Q HA -0.331 4.008 4.340 -0.001 0.000 0.211 314 Q C 2.336 178.353 176.000 0.027 0.000 0.998 314 Q CA 2.499 58.222 55.803 -0.133 0.000 0.872 314 Q CB -0.529 28.022 28.738 -0.312 0.000 0.925 314 Q HN 0.584 nan 8.270 nan 0.000 0.414 315 Q N 0.080 119.876 119.800 -0.006 0.000 2.119 315 Q HA -0.051 4.289 4.340 -0.001 0.000 0.201 315 Q C 1.792 177.818 176.000 0.044 0.000 0.972 315 Q CA 1.288 57.120 55.803 0.050 0.000 0.847 315 Q CB -0.195 28.598 28.738 0.092 0.000 0.903 315 Q HN 0.468 nan 8.270 nan 0.000 0.433 316 L N -0.879 120.319 121.223 -0.042 0.000 2.083 316 L HA -0.252 4.088 4.340 -0.001 0.000 0.209 316 L C 2.437 179.325 176.870 0.029 0.000 1.083 316 L CA 1.081 55.861 54.840 -0.101 0.000 0.752 316 L CB -0.533 41.413 42.059 -0.188 0.000 0.899 316 L HN 0.354 nan 8.230 nan 0.000 0.433 317 C N -0.669 118.696 119.300 0.109 0.000 2.440 317 C HA -0.138 4.321 4.460 -0.001 0.000 0.278 317 C C 2.903 177.954 174.990 0.103 0.000 1.295 317 C CA 1.317 60.430 59.018 0.159 0.000 1.738 317 C CB -0.880 27.018 27.740 0.264 0.000 1.987 317 C HN 0.540 nan 8.230 nan 0.000 0.492 318 T N 1.426 116.039 114.554 0.098 0.000 2.759 318 T HA -0.153 4.196 4.350 -0.001 0.000 0.269 318 T C 1.547 176.297 174.700 0.082 0.000 1.042 318 T CA 1.408 63.557 62.100 0.082 0.000 1.140 318 T CB -0.337 68.584 68.868 0.088 0.000 0.864 318 T HN 0.507 nan 8.240 nan 0.000 0.455 319 I N 0.592 121.218 120.570 0.093 0.000 2.361 319 I HA -0.103 4.067 4.170 -0.001 0.000 0.251 319 I C 2.204 178.355 176.117 0.055 0.000 1.133 319 I CA 0.972 62.331 61.300 0.098 0.000 1.413 319 I CB -0.334 37.739 38.000 0.120 0.000 1.073 319 I HN 0.218 nan 8.210 nan 0.000 0.424 320 L N 0.311 121.566 121.223 0.053 0.000 2.131 320 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 320 L C 2.286 179.167 176.870 0.019 0.000 1.092 320 L CA 1.319 56.184 54.840 0.043 0.000 0.759 320 L CB -0.338 41.768 42.059 0.080 0.000 0.903 320 L HN 0.441 nan 8.230 nan 0.000 0.435 321 M N -2.282 117.328 119.600 0.016 0.000 2.313 321 M HA 0.376 4.856 4.480 -0.001 0.000 0.273 321 M C 0.640 176.941 176.300 0.002 0.000 1.049 321 M CA -0.187 55.113 55.300 -0.001 0.000 1.004 321 M CB 0.137 32.729 32.600 -0.013 0.000 1.461 321 M HN -0.032 nan 8.290 nan 0.000 0.514 322 A N 1.972 124.800 122.820 0.013 0.000 2.386 322 A HA 0.545 4.864 4.320 -0.001 0.000 0.248 322 A C 0.101 177.678 177.584 -0.013 0.000 1.082 322 A CA -0.084 51.964 52.037 0.018 0.000 0.789 322 A CB 0.165 19.197 19.000 0.054 0.000 1.025 322 A HN 0.454 nan 8.150 nan 0.000 0.490 323 T N 0.619 115.170 114.554 -0.006 0.000 2.845 323 T HA 0.525 4.875 4.350 -0.001 0.000 0.288 323 T C 1.057 175.725 174.700 -0.054 0.000 0.980 323 T CA 0.705 62.790 62.100 -0.026 0.000 1.071 323 T CB 1.171 70.035 68.868 -0.006 0.000 0.941 323 T HN 2.063 nan 8.240 nan 0.000 0.487 324 G N 1.407 110.152 108.800 -0.093 0.000 2.198 324 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.257 324 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.257 324 G C 0.108 174.814 174.900 -0.324 0.000 1.042 324 G CA 0.052 45.071 45.100 -0.136 0.000 0.791 324 G HN 1.361 nan 8.290 nan 0.000 0.502 325 V N -1.585 118.083 119.914 -0.411 0.000 2.427 325 V HA 0.818 4.938 4.120 -0.001 0.000 0.286 325 V C -1.355 174.417 176.094 -0.536 0.000 1.034 325 V CA -2.493 59.349 62.300 -0.762 0.000 0.893 325 V CB 1.326 32.781 31.823 -0.613 0.000 0.982 325 V HN 0.084 nan 8.190 nan 0.000 0.452 326 P HA 0.155 nan 4.420 nan 0.000 0.266 326 P C 0.893 178.081 177.300 -0.185 0.000 1.186 326 P CA 0.693 63.605 63.100 -0.313 0.000 0.767 326 P CB 0.766 32.310 31.700 -0.260 0.000 0.820 327 A N 3.427 126.189 122.820 -0.098 0.000 1.940 327 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 327 A C 1.750 179.328 177.584 -0.010 0.000 1.176 327 A CA 2.009 54.016 52.037 -0.050 0.000 0.631 327 A CB -0.974 18.012 19.000 -0.023 0.000 0.814 327 A HN 0.703 nan 8.150 nan 0.000 0.446 328 D N -0.075 120.341 120.400 0.027 0.000 2.183 328 D HA -0.119 4.520 4.640 -0.001 0.000 0.203 328 D C 1.746 178.121 176.300 0.125 0.000 0.969 328 D CA 0.799 54.868 54.000 0.115 0.000 0.842 328 D CB -0.473 40.439 40.800 0.187 0.000 0.957 328 D HN 0.349 nan 8.370 nan 0.000 0.484 329 I N 0.689 121.252 120.570 -0.012 0.000 2.226 329 I HA -0.171 3.999 4.170 -0.001 0.000 0.245 329 I C 2.569 178.657 176.117 -0.049 0.000 1.100 329 I CA 0.489 61.711 61.300 -0.129 0.000 1.374 329 I CB -0.860 37.072 38.000 -0.112 0.000 1.057 329 I HN 0.058 nan 8.210 nan 0.000 0.413 330 L N 0.620 121.813 121.223 -0.049 0.000 1.994 330 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 330 L C 2.559 179.435 176.870 0.010 0.000 1.071 330 L CA 2.012 56.836 54.840 -0.027 0.000 0.745 330 L CB -0.765 41.266 42.059 -0.046 0.000 0.892 330 L HN 0.174 nan 8.230 nan 0.000 0.431 331 T N -0.612 113.957 114.554 0.026 0.000 2.665 331 T HA -0.172 4.178 4.350 -0.001 0.000 0.268 331 T C 1.674 176.410 174.700 0.061 0.000 1.035 331 T CA 1.635 63.760 62.100 0.041 0.000 1.151 331 T CB -0.270 68.624 68.868 0.044 0.000 0.862 331 T HN 0.333 nan 8.240 nan 0.000 0.438 332 E N 0.833 121.089 120.200 0.092 0.000 2.285 332 E HA -0.004 4.346 4.350 -0.001 0.000 0.194 332 E C 2.390 179.030 176.600 0.068 0.000 0.997 332 E CA 0.758 57.227 56.400 0.115 0.000 0.845 332 E CB -0.724 29.118 29.700 0.235 0.000 0.782 332 E HN 0.485 nan 8.360 nan 0.000 0.491 333 T N 1.250 115.824 114.554 0.033 0.000 2.915 333 T HA -0.006 4.344 4.350 -0.001 0.000 0.269 333 T C 2.046 176.743 174.700 -0.005 0.000 1.071 333 T CA 0.626 62.726 62.100 -0.000 0.000 1.132 333 T CB -0.032 68.836 68.868 0.001 0.000 0.878 333 T HN 0.116 nan 8.240 nan 0.000 0.479 334 I N 1.297 121.876 120.570 0.014 0.000 2.277 334 I HA -0.083 4.086 4.170 -0.001 0.000 0.243 334 I C 2.361 178.466 176.117 -0.021 0.000 1.094 334 I CA 0.653 61.954 61.300 0.002 0.000 1.393 334 I CB -0.319 37.699 38.000 0.028 0.000 1.078 334 I HN 0.079 nan 8.210 nan 0.000 0.417 335 N N 0.642 119.368 118.700 0.044 0.000 2.137 335 N HA -0.153 4.587 4.740 -0.001 0.000 0.190 335 N C 1.823 177.354 175.510 0.036 0.000 1.017 335 N CA 1.840 54.954 53.050 0.107 0.000 0.859 335 N CB -0.624 37.952 38.487 0.149 0.000 1.002 335 N HN 0.334 nan 8.380 nan 0.000 0.428 336 T N 0.993 115.551 114.554 0.007 0.000 2.639 336 T HA -0.039 4.310 4.350 -0.001 0.000 0.261 336 T C 2.207 176.860 174.700 -0.080 0.000 1.053 336 T CA 1.060 63.147 62.100 -0.021 0.000 1.158 336 T CB -0.539 68.311 68.868 -0.030 0.000 0.863 336 T HN -0.060 nan 8.240 nan 0.000 0.413 337 V N 2.046 121.898 119.914 -0.103 0.000 2.317 337 V HA -0.257 3.863 4.120 -0.001 0.000 0.251 337 V C 2.710 178.658 176.094 -0.243 0.000 1.065 337 V CA 2.174 64.389 62.300 -0.142 0.000 1.049 337 V CB -1.105 30.644 31.823 -0.122 0.000 0.651 337 V HN 0.483 nan 8.190 nan 0.000 0.450 338 S N -0.362 115.152 115.700 -0.310 0.000 2.368 338 S HA -0.324 4.145 4.470 -0.001 0.000 0.226 338 S C 1.881 176.248 174.600 -0.389 0.000 1.044 338 S CA 2.208 60.120 58.200 -0.479 0.000 1.062 338 S CB -0.407 62.325 63.200 -0.781 0.000 0.931 338 S HN 0.757 nan 8.310 nan 0.000 0.440 339 E N 0.196 120.245 120.200 -0.253 0.000 2.216 339 E HA 0.006 4.356 4.350 -0.001 0.000 0.192 339 E C 1.933 178.484 176.600 -0.082 0.000 0.988 339 E CA 0.496 56.813 56.400 -0.138 0.000 0.834 339 E CB -0.047 29.630 29.700 -0.037 0.000 0.772 339 E HN 0.271 nan 8.360 nan 0.000 0.479 340 V N 1.917 121.786 119.914 -0.076 0.000 2.759 340 V HA -0.185 3.935 4.120 -0.001 0.000 0.256 340 V C 2.175 178.260 176.094 -0.016 0.000 1.080 340 V CA 1.477 63.758 62.300 -0.031 0.000 1.101 340 V CB -0.546 31.264 31.823 -0.021 0.000 0.698 340 V HN 0.391 nan 8.190 nan 0.000 0.477 341 I N -2.201 118.334 120.570 -0.058 0.000 3.526 341 I HA 0.220 4.390 4.170 -0.001 0.000 0.294 341 I C 1.444 177.547 176.117 -0.024 0.000 1.229 341 I CA -0.049 61.238 61.300 -0.021 0.000 1.408 341 I CB -0.122 37.862 38.000 -0.027 0.000 1.127 341 I HN -0.016 nan 8.210 nan 0.000 0.439 342 R N 2.883 123.345 120.500 -0.063 0.000 2.638 342 R HA 0.050 4.389 4.340 -0.001 0.000 0.351 342 R C 1.039 177.394 176.300 0.091 0.000 0.871 342 R CA 1.316 57.408 56.100 -0.014 0.000 1.091 342 R CB -0.493 29.749 30.300 -0.097 0.000 0.900 342 R HN 0.728 nan 8.270 nan 0.000 0.405 343 G N 2.825 111.708 108.800 0.139 0.000 2.143 343 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.249 343 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.249 343 G C -0.132 174.772 174.900 0.008 0.000 0.981 343 G CA 0.069 45.236 45.100 0.110 0.000 0.665 343 G HN 0.700 nan 8.290 nan 0.000 0.528 344 C N 0.641 119.937 119.300 -0.007 0.000 2.291 344 C HA 0.685 5.145 4.460 -0.001 0.000 0.322 344 C C 1.767 176.728 174.990 -0.050 0.000 1.205 344 C CA -0.004 58.996 59.018 -0.030 0.000 1.495 344 C CB 0.721 28.453 27.740 -0.015 0.000 2.127 344 C HN 0.578 nan 8.230 nan 0.000 0.452 345 Q N 2.842 122.596 119.800 -0.077 0.000 2.045 345 Q HA -0.138 4.202 4.340 -0.001 0.000 0.206 345 Q C 1.806 177.763 176.000 -0.072 0.000 0.991 345 Q CA 2.548 58.301 55.803 -0.082 0.000 0.851 345 Q CB -0.126 28.558 28.738 -0.091 0.000 0.911 345 Q HN 0.761 nan 8.270 nan 0.000 0.418 346 V N 1.235 121.064 119.914 -0.141 0.000 2.469 346 V HA -0.270 3.850 4.120 -0.001 0.000 0.251 346 V C 1.673 177.668 176.094 -0.165 0.000 1.064 346 V CA 2.012 64.156 62.300 -0.259 0.000 1.066 346 V CB -0.669 30.834 31.823 -0.534 0.000 0.667 346 V HN 0.407 nan 8.190 nan 0.000 0.461 347 N N -0.338 118.338 118.700 -0.041 0.000 2.305 347 N HA -0.066 4.674 4.740 -0.001 0.000 0.179 347 N C 1.912 177.593 175.510 0.285 0.000 1.019 347 N CA 0.858 54.004 53.050 0.159 0.000 0.869 347 N CB -0.251 38.311 38.487 0.125 0.000 1.000 347 N HN 0.553 nan 8.380 nan 0.000 0.431 348 Q N 0.489 120.409 119.800 0.200 0.000 2.084 348 Q HA -0.121 4.219 4.340 -0.001 0.000 0.202 348 Q C 0.914 177.163 176.000 0.416 0.000 0.978 348 Q CA 1.207 57.202 55.803 0.320 0.000 0.844 348 Q CB -0.069 28.709 28.738 0.067 0.000 0.898 348 Q HN 0.313 nan 8.270 nan 0.000 0.426 349 D N -0.074 120.468 120.400 0.236 0.000 2.104 349 D HA -0.186 4.454 4.640 -0.001 0.000 0.194 349 D C 1.609 178.049 176.300 0.232 0.000 0.994 349 D CA 1.110 55.234 54.000 0.207 0.000 0.830 349 D CB -0.376 40.487 40.800 0.105 0.000 0.959 349 D HN 0.266 nan 8.370 nan 0.000 0.452 350 Y N 0.191 120.605 120.300 0.190 0.000 2.145 350 Y HA -0.238 4.313 4.550 0.001 0.000 0.286 350 Y C 2.176 178.196 175.900 0.200 0.000 1.145 350 Y CA 1.327 59.563 58.100 0.226 0.000 1.148 350 Y CB -0.556 38.130 38.460 0.378 0.000 0.981 350 Y HN -0.062 nan 8.280 nan 0.000 0.507 351 F N 0.761 120.785 119.950 0.124 0.000 2.095 351 F HA -0.221 4.305 4.527 -0.000 0.000 0.298 351 F C 2.334 178.029 175.800 -0.174 0.000 1.104 351 F CA 1.858 59.846 58.000 -0.020 0.000 1.232 351 F CB -0.890 38.173 39.000 0.105 0.000 0.987 351 F HN 0.084 nan 8.300 nan 0.000 0.475 352 A N -0.661 122.068 122.820 -0.152 0.000 2.067 352 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 352 A C 2.205 179.595 177.584 -0.323 0.000 1.158 352 A CA 1.584 53.416 52.037 -0.342 0.000 0.661 352 A CB -1.228 17.708 19.000 -0.106 0.000 0.801 352 A HN 0.498 nan 8.150 nan 0.000 0.452 353 S N -0.840 114.684 115.700 -0.294 0.000 2.603 353 S HA 0.174 4.644 4.470 -0.001 0.000 0.220 353 S C 0.365 174.749 174.600 -0.359 0.000 0.967 353 S CA 0.147 58.186 58.200 -0.267 0.000 0.920 353 S CB -0.556 62.531 63.200 -0.189 0.000 0.773 353 S HN 0.106 nan 8.310 nan 0.000 0.529 354 V N 3.682 123.294 119.914 -0.504 0.000 2.488 354 V HA 0.346 4.466 4.120 -0.001 0.000 0.277 354 V C -0.186 175.710 176.094 -0.330 0.000 1.046 354 V CA -0.639 61.396 62.300 -0.442 0.000 0.986 354 V CB 0.566 32.075 31.823 -0.524 0.000 0.989 354 V HN 0.462 nan 8.190 nan 0.000 0.475 355 N N 2.773 121.343 118.700 -0.217 0.000 2.319 355 N HA 0.700 5.439 4.740 -0.001 0.000 0.305 355 N C -0.167 175.272 175.510 -0.119 0.000 1.103 355 N CA -0.358 52.596 53.050 -0.161 0.000 0.815 355 N CB 2.411 40.827 38.487 -0.118 0.000 1.288 355 N HN 0.732 nan 8.380 nan 0.000 0.493 356 A N 1.728 124.486 122.820 -0.103 0.000 2.257 356 A HA 0.641 4.960 4.320 -0.001 0.000 0.289 356 A C -2.302 175.251 177.584 -0.053 0.000 1.095 356 A CA -1.156 50.839 52.037 -0.070 0.000 0.836 356 A CB -0.071 18.891 19.000 -0.065 0.000 1.111 356 A HN 0.442 nan 8.150 nan 0.000 0.497 357 P HA 0.506 nan 4.420 nan 0.000 0.293 357 P C -0.843 176.440 177.300 -0.027 0.000 1.300 357 P CA -0.098 62.984 63.100 -0.029 0.000 0.792 357 P CB 1.415 33.103 31.700 -0.020 0.000 0.925 361 P HA 0.087 nan 4.420 nan 0.000 0.265 361 P C -0.486 176.782 177.300 -0.053 0.000 1.187 361 P CA 0.117 63.191 63.100 -0.044 0.000 0.766 361 P CB 0.704 32.378 31.700 -0.045 0.000 0.820 362 R N 3.210 123.671 120.500 -0.065 0.000 2.387 362 R HA 0.439 4.779 4.340 -0.001 0.000 0.314 362 R C -2.362 173.872 176.300 -0.112 0.000 0.958 362 R CA -2.371 53.683 56.100 -0.078 0.000 0.846 362 R CB 0.771 31.028 30.300 -0.071 0.000 1.147 362 R HN 0.337 nan 8.270 nan 0.000 0.447 363 P HA -0.055 nan 4.420 nan 0.000 0.267 363 P C 0.356 177.524 177.300 -0.220 0.000 1.201 363 P CA 0.342 63.335 63.100 -0.177 0.000 0.775 363 P CB 0.661 32.273 31.700 -0.147 0.000 0.854 364 A N 2.711 125.319 122.820 -0.354 0.000 1.898 364 A HA -0.175 4.145 4.320 -0.001 0.000 0.216 364 A C 1.901 179.327 177.584 -0.262 0.000 1.181 364 A CA 1.549 53.322 52.037 -0.440 0.000 0.620 364 A CB -1.390 17.001 19.000 -1.015 0.000 0.819 364 A HN 0.463 nan 8.150 nan 0.000 0.442 365 I N -0.229 120.182 120.570 -0.265 0.000 2.194 365 I HA -0.224 3.946 4.170 -0.001 0.000 0.246 365 I C 2.419 178.487 176.117 -0.081 0.000 1.093 365 I CA 1.129 62.367 61.300 -0.103 0.000 1.355 365 I CB -0.608 37.317 38.000 -0.125 0.000 1.046 365 I HN 0.138 nan 8.210 nan 0.000 0.413 366 V N -0.649 119.201 119.914 -0.106 0.000 2.379 366 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 366 V C 2.428 178.472 176.094 -0.084 0.000 1.044 366 V CA 1.486 63.731 62.300 -0.092 0.000 1.036 366 V CB -0.335 31.440 31.823 -0.080 0.000 0.664 366 V HN 0.359 nan 8.190 nan 0.000 0.453 367 V N -0.282 119.584 119.914 -0.080 0.000 2.490 367 V HA -0.215 3.905 4.120 -0.001 0.000 0.250 367 V C 2.152 178.225 176.094 -0.035 0.000 1.061 367 V CA 1.911 64.177 62.300 -0.057 0.000 1.064 367 V CB -0.162 31.626 31.823 -0.057 0.000 0.670 367 V HN 0.481 nan 8.190 nan 0.000 0.461 368 L N -0.974 120.238 121.223 -0.019 0.000 1.976 368 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 368 L C 2.465 179.291 176.870 -0.074 0.000 1.071 368 L CA 1.343 56.185 54.840 0.004 0.000 0.746 368 L CB -0.758 41.351 42.059 0.084 0.000 0.890 368 L HN 0.305 nan 8.230 nan 0.000 0.432 369 L N -0.763 120.365 121.223 -0.157 0.000 2.131 369 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 369 L C 2.464 179.256 176.870 -0.130 0.000 1.092 369 L CA 1.733 56.438 54.840 -0.226 0.000 0.759 369 L CB -0.704 41.173 42.059 -0.302 0.000 0.903 369 L HN 0.261 nan 8.230 nan 0.000 0.435 370 M N -1.907 117.640 119.600 -0.088 0.000 2.132 370 M HA -0.171 4.308 4.480 -0.001 0.000 0.263 370 M C 2.254 178.530 176.300 -0.039 0.000 1.065 370 M CA 1.452 56.718 55.300 -0.057 0.000 1.122 370 M CB -0.242 32.330 32.600 -0.046 0.000 1.365 370 M HN 0.151 nan 8.290 nan 0.000 0.411 371 S N 0.289 115.969 115.700 -0.033 0.000 2.387 371 S HA -0.067 4.403 4.470 -0.001 0.000 0.226 371 S C 1.819 176.413 174.600 -0.010 0.000 1.026 371 S CA 0.960 59.151 58.200 -0.015 0.000 0.972 371 S CB -0.239 62.957 63.200 -0.007 0.000 0.814 371 S HN 0.450 nan 8.310 nan 0.000 0.477 372 M N 1.200 120.785 119.600 -0.025 0.000 2.149 372 M HA -0.091 4.389 4.480 -0.001 0.000 0.261 372 M C 1.389 177.688 176.300 -0.002 0.000 1.064 372 M CA 1.443 56.734 55.300 -0.015 0.000 1.102 372 M CB -0.125 32.443 32.600 -0.053 0.000 1.369 372 M HN 0.148 nan 8.290 nan 0.000 0.408 373 V N 0.188 120.088 119.914 -0.022 0.000 3.608 373 V HA -0.005 4.115 4.120 -0.001 0.000 0.269 373 V C 0.467 176.562 176.094 0.002 0.000 1.245 373 V CA 0.258 62.551 62.300 -0.012 0.000 1.138 373 V CB -0.886 30.916 31.823 -0.035 0.000 0.841 373 V HN 0.412 nan 8.190 nan 0.000 0.451 374 N N 1.274 119.976 118.700 0.004 0.000 2.401 374 N HA 0.062 4.801 4.740 -0.001 0.000 0.255 374 N C 1.057 176.581 175.510 0.023 0.000 1.110 374 N CA 0.114 53.170 53.050 0.009 0.000 0.949 374 N CB 0.945 39.434 38.487 0.004 0.000 1.110 374 N HN 0.389 nan 8.380 nan 0.000 0.490 375 E N 1.983 122.197 120.200 0.023 0.000 2.338 375 E HA -0.157 4.192 4.350 -0.001 0.000 0.197 375 E C 0.992 177.610 176.600 0.030 0.000 1.007 375 E CA 0.615 57.033 56.400 0.030 0.000 0.849 375 E CB 0.254 29.967 29.700 0.021 0.000 0.774 375 E HN 0.386 nan 8.360 nan 0.000 0.506 376 R N 0.872 121.386 120.500 0.023 0.000 2.276 376 R HA 0.038 4.377 4.340 -0.001 0.000 0.196 376 R C 0.451 176.767 176.300 0.027 0.000 0.961 376 R CA 0.330 56.443 56.100 0.022 0.000 1.024 376 R CB 0.274 30.582 30.300 0.013 0.000 0.940 376 R HN 0.006 nan 8.270 nan 0.000 0.480 377 Q N 1.291 121.109 119.800 0.030 0.000 2.352 377 Q HA 0.182 4.521 4.340 -0.001 0.000 0.260 377 Q C -2.134 173.900 176.000 0.056 0.000 0.976 377 Q CA -1.803 54.020 55.803 0.033 0.000 0.881 377 Q CB 0.652 29.405 28.738 0.025 0.000 1.235 377 Q HN 0.093 nan 8.270 nan 0.000 0.419 378 P HA -0.031 nan 4.420 nan 0.000 0.269 378 P C 0.290 177.665 177.300 0.126 0.000 1.209 378 P CA -0.132 63.021 63.100 0.090 0.000 0.776 378 P CB 0.315 32.054 31.700 0.066 0.000 0.876 379 F N 3.340 123.303 119.950 0.021 0.000 2.161 379 F HA -0.200 4.326 4.527 -0.002 0.000 0.300 379 F C 2.015 177.843 175.800 0.046 0.000 1.089 379 F CA 1.535 59.552 58.000 0.028 0.000 1.282 379 F CB -0.713 38.300 39.000 0.021 0.000 1.010 379 F HN 0.079 nan 8.300 nan 0.000 0.485 380 V N 0.777 120.671 119.914 -0.033 0.000 2.392 380 V HA -0.232 3.888 4.120 -0.001 0.000 0.249 380 V C 2.348 178.373 176.094 -0.115 0.000 1.059 380 V CA 1.897 64.125 62.300 -0.120 0.000 1.051 380 V CB -0.459 31.366 31.823 0.004 0.000 0.658 380 V HN 0.485 nan 8.190 nan 0.000 0.455 381 L N -0.115 121.076 121.223 -0.052 0.000 2.095 381 L HA -0.044 4.296 4.340 -0.001 0.000 0.204 381 L C 2.732 179.581 176.870 -0.034 0.000 1.080 381 L CA 1.734 56.559 54.840 -0.025 0.000 0.759 381 L CB -0.922 41.138 42.059 0.002 0.000 0.914 381 L HN 0.336 nan 8.230 nan 0.000 0.439 382 R N -0.796 119.672 120.500 -0.053 0.000 2.091 382 R HA -0.187 4.153 4.340 -0.001 0.000 0.238 382 R C 2.309 178.579 176.300 -0.051 0.000 1.136 382 R CA 1.683 57.762 56.100 -0.035 0.000 0.959 382 R CB -0.857 29.443 30.300 -0.000 0.000 0.856 382 R HN 0.448 nan 8.270 nan 0.000 0.437 383 C N 0.323 119.519 119.300 -0.172 0.000 2.429 383 C HA -0.041 4.419 4.460 -0.001 0.000 0.277 383 C C 2.972 177.967 174.990 0.008 0.000 1.262 383 C CA 0.759 59.706 59.018 -0.118 0.000 1.733 383 C CB -0.985 26.579 27.740 -0.292 0.000 2.010 383 C HN 0.576 nan 8.230 nan 0.000 0.483 384 A N 0.788 123.609 122.820 0.002 0.000 1.969 384 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 384 A C 2.220 179.863 177.584 0.098 0.000 1.169 384 A CA 2.087 54.171 52.037 0.078 0.000 0.635 384 A CB -0.582 18.445 19.000 0.045 0.000 0.810 384 A HN 0.603 nan 8.150 nan 0.000 0.445 385 V N -2.682 117.273 119.914 0.069 0.000 2.649 385 V HA -0.004 4.116 4.120 -0.001 0.000 0.248 385 V C 2.146 178.310 176.094 0.117 0.000 1.054 385 V CA 1.134 63.480 62.300 0.077 0.000 1.073 385 V CB -0.845 31.005 31.823 0.044 0.000 0.699 385 V HN 0.432 nan 8.190 nan 0.000 0.463 386 L N -0.828 120.469 121.223 0.124 0.000 1.989 386 L HA -0.194 4.146 4.340 -0.001 0.000 0.211 386 L C 2.701 179.706 176.870 0.225 0.000 1.071 386 L CA 2.778 57.723 54.840 0.175 0.000 0.749 386 L CB -0.521 41.652 42.059 0.191 0.000 0.890 386 L HN 0.500 nan 8.230 nan 0.000 0.431 387 Y N -0.227 120.098 120.300 0.040 0.000 2.145 387 Y HA -0.315 4.234 4.550 -0.001 0.000 0.286 387 Y C 2.742 178.638 175.900 -0.007 0.000 1.145 387 Y CA 1.437 59.533 58.100 -0.006 0.000 1.148 387 Y CB -1.048 37.390 38.460 -0.036 0.000 0.981 387 Y HN 0.332 nan 8.280 nan 0.000 0.507 388 C N -0.051 119.201 119.300 -0.079 0.000 2.401 388 C HA -0.250 4.210 4.460 -0.001 0.000 0.276 388 C C 2.728 177.695 174.990 -0.039 0.000 1.233 388 C CA 1.489 60.386 59.018 -0.202 0.000 1.753 388 C CB -2.021 25.629 27.740 -0.150 0.000 2.029 388 C HN 0.660 nan 8.230 nan 0.000 0.478 389 F N 1.321 121.258 119.950 -0.022 0.000 2.113 389 F HA -0.118 4.412 4.527 0.004 0.000 0.297 389 F C 2.451 178.321 175.800 0.117 0.000 1.103 389 F CA 2.046 60.096 58.000 0.084 0.000 1.248 389 F CB -0.727 38.312 39.000 0.065 0.000 0.999 389 F HN 0.351 nan 8.300 nan 0.000 0.475 390 Q N -0.797 119.003 119.800 0.000 0.000 2.096 390 Q HA -0.244 4.096 4.340 -0.001 0.000 0.204 390 Q C 2.477 178.477 176.000 0.000 0.000 0.982 390 Q CA 1.986 57.754 55.803 -0.058 0.000 0.850 390 Q CB -0.910 27.749 28.738 -0.132 0.000 0.901 390 Q HN 0.441 nan 8.270 nan 0.000 0.422 391 C N 0.377 119.614 119.300 -0.104 0.000 2.413 391 C HA -0.186 4.274 4.460 -0.001 0.000 0.276 391 C C 2.422 177.383 174.990 -0.048 0.000 1.236 391 C CA 0.739 59.666 59.018 -0.151 0.000 1.735 391 C CB -1.112 26.395 27.740 -0.389 0.000 2.031 391 C HN 0.560 nan 8.230 nan 0.000 0.474 392 F N 1.134 120.971 119.950 -0.188 0.000 2.120 392 F HA -0.176 4.352 4.527 0.002 0.000 0.300 392 F C 2.020 177.750 175.800 -0.116 0.000 1.095 392 F CA 1.702 59.623 58.000 -0.130 0.000 1.249 392 F CB -0.212 38.740 39.000 -0.081 0.000 0.995 392 F HN 0.127 nan 8.300 nan 0.000 0.480 393 L N -1.079 119.926 121.223 -0.363 0.000 2.341 393 L HA -0.099 4.241 4.340 -0.001 0.000 0.214 393 L C 0.374 177.119 176.870 -0.208 0.000 1.115 393 L CA -0.066 54.529 54.840 -0.408 0.000 0.820 393 L CB -0.686 41.201 42.059 -0.287 0.000 0.944 393 L HN 0.120 nan 8.230 nan 0.000 0.452 394 Y N 2.673 122.856 120.300 -0.194 0.000 2.677 394 Y HA -0.117 4.432 4.550 -0.001 0.000 0.335 394 Y C 0.789 176.608 175.900 -0.136 0.000 1.162 394 Y CA -0.181 57.852 58.100 -0.112 0.000 1.483 394 Y CB 0.156 38.582 38.460 -0.057 0.000 1.209 394 Y HN 0.004 nan 8.280 nan 0.000 0.528 395 K N 2.167 122.170 120.400 -0.662 0.000 3.274 395 K HA -0.304 4.015 4.320 -0.001 0.000 0.300 395 K C -0.857 175.558 176.600 -0.308 0.000 1.230 395 K CA 1.065 57.047 56.287 -0.507 0.000 0.884 395 K CB -1.733 30.444 32.500 -0.538 0.000 1.242 395 K HN 0.694 nan 8.250 nan 0.000 0.467 396 N N 1.496 120.017 118.700 -0.298 0.000 3.091 396 N HA 0.157 4.897 4.740 -0.001 0.000 0.255 396 N C 0.807 176.162 175.510 -0.259 0.000 1.204 396 N CA -0.093 52.777 53.050 -0.301 0.000 0.990 396 N CB 0.467 38.680 38.487 -0.458 0.000 1.260 396 N HN 0.171 nan 8.380 nan 0.000 0.502 397 Q N 0.555 120.241 119.800 -0.190 0.000 2.291 397 Q HA -0.150 4.189 4.340 -0.001 0.000 0.205 397 Q C 1.396 177.325 176.000 -0.118 0.000 0.970 397 Q CA 0.981 56.698 55.803 -0.144 0.000 0.876 397 Q CB 0.268 28.938 28.738 -0.113 0.000 0.935 397 Q HN 0.503 nan 8.270 nan 0.000 0.455 398 K N 0.291 120.618 120.400 -0.122 0.000 2.057 398 K HA -0.123 4.197 4.320 -0.001 0.000 0.207 398 K C 1.948 178.507 176.600 -0.068 0.000 1.049 398 K CA 1.477 57.716 56.287 -0.080 0.000 0.931 398 K CB -0.232 32.226 32.500 -0.069 0.000 0.714 398 K HN 0.213 nan 8.250 nan 0.000 0.440 399 G N 0.131 108.834 108.800 -0.162 0.000 2.430 399 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.216 399 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.216 399 G C 1.199 176.068 174.900 -0.051 0.000 1.146 399 G CA 0.162 45.183 45.100 -0.132 0.000 0.793 399 G HN 0.350 nan 8.290 nan 0.000 0.537 400 Q N 0.205 119.926 119.800 -0.131 0.000 2.020 400 Q HA -0.050 4.289 4.340 -0.001 0.000 0.202 400 Q C 2.847 178.829 176.000 -0.029 0.000 0.982 400 Q CA 1.253 57.006 55.803 -0.083 0.000 0.838 400 Q CB -0.436 28.233 28.738 -0.115 0.000 0.899 400 Q HN 0.428 nan 8.270 nan 0.000 0.423 401 G N 1.125 109.905 108.800 -0.034 0.000 2.446 401 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.217 401 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.217 401 G C 1.087 175.998 174.900 0.019 0.000 1.168 401 G CA 0.890 45.982 45.100 -0.013 0.000 0.771 401 G HN 0.334 nan 8.290 nan 0.000 0.551 402 E N -0.188 120.037 120.200 0.043 0.000 2.114 402 E HA -0.160 4.190 4.350 -0.001 0.000 0.199 402 E C 2.492 179.149 176.600 0.094 0.000 1.008 402 E CA 0.892 57.338 56.400 0.077 0.000 0.810 402 E CB -0.084 29.691 29.700 0.125 0.000 0.739 402 E HN 0.340 nan 8.360 nan 0.000 0.456 403 I N 0.286 120.928 120.570 0.121 0.000 2.233 403 I HA -0.180 3.990 4.170 -0.001 0.000 0.243 403 I C 2.372 178.534 176.117 0.076 0.000 1.093 403 I CA 0.969 62.355 61.300 0.143 0.000 1.380 403 I CB -1.003 37.133 38.000 0.227 0.000 1.067 403 I HN 0.021 nan 8.210 nan 0.000 0.413 404 V N 1.392 121.328 119.914 0.036 0.000 2.453 404 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 404 V C 2.711 178.811 176.094 0.010 0.000 1.048 404 V CA 1.733 64.033 62.300 0.000 0.000 1.049 404 V CB -0.857 30.942 31.823 -0.040 0.000 0.672 404 V HN 0.541 nan 8.190 nan 0.000 0.457 405 S N -0.262 115.449 115.700 0.018 0.000 2.383 405 S HA -0.271 4.199 4.470 -0.001 0.000 0.229 405 S C 1.927 176.541 174.600 0.024 0.000 1.030 405 S CA 1.981 60.192 58.200 0.019 0.000 1.002 405 S CB -1.043 62.169 63.200 0.019 0.000 0.829 405 S HN 0.537 nan 8.310 nan 0.000 0.467 406 T N 2.444 117.017 114.554 0.030 0.000 2.802 406 T HA -0.038 4.312 4.350 -0.001 0.000 0.269 406 T C 1.346 176.063 174.700 0.028 0.000 1.062 406 T CA 1.608 63.726 62.100 0.029 0.000 1.133 406 T CB -0.498 68.392 68.868 0.037 0.000 0.852 406 T HN 0.326 nan 8.240 nan 0.000 0.485 407 L N -0.310 120.930 121.223 0.028 0.000 2.509 407 L HA 0.277 4.617 4.340 -0.001 0.000 0.222 407 L C 0.478 177.370 176.870 0.037 0.000 1.123 407 L CA 0.713 55.573 54.840 0.034 0.000 0.856 407 L CB -0.019 42.058 42.059 0.029 0.000 0.985 407 L HN 0.168 nan 8.230 nan 0.000 0.456 408 L N 1.410 122.652 121.223 0.031 0.000 2.426 408 L HA 0.360 4.700 4.340 -0.001 0.000 0.255 408 L C -2.189 174.696 176.870 0.025 0.000 1.080 408 L CA -1.730 53.128 54.840 0.031 0.000 0.960 408 L CB 0.251 42.328 42.059 0.029 0.000 1.326 408 L HN -0.117 nan 8.230 nan 0.000 0.441 409 P HA 0.060 nan 4.420 nan 0.000 0.271 409 P C 0.458 177.768 177.300 0.017 0.000 1.220 409 P CA 0.063 63.175 63.100 0.020 0.000 0.768 409 P CB 1.598 33.310 31.700 0.020 0.000 0.848 410 S N 0.947 116.656 115.700 0.015 0.000 2.505 410 S HA 0.137 4.606 4.470 -0.001 0.000 0.216 410 S C 0.496 175.102 174.600 0.010 0.000 1.018 410 S CA 0.521 58.729 58.200 0.013 0.000 0.911 410 S CB -0.055 63.152 63.200 0.012 0.000 0.818 410 S HN 0.659 nan 8.310 nan 0.000 0.497 411 T N -0.213 114.347 114.554 0.009 0.000 2.883 411 T HA 0.665 5.015 4.350 -0.001 0.000 0.296 411 T C -0.865 173.839 174.700 0.007 0.000 1.117 411 T CA -0.830 61.274 62.100 0.007 0.000 1.006 411 T CB 1.252 70.123 68.868 0.005 0.000 1.191 411 T HN -0.004 nan 8.240 nan 0.000 0.508 412 I N 2.944 123.517 120.570 0.005 0.000 2.354 412 I HA 0.329 4.499 4.170 -0.001 0.000 0.292 412 I C -0.351 175.767 176.117 0.002 0.000 0.989 412 I CA -0.475 60.827 61.300 0.004 0.000 1.188 412 I CB 1.562 39.565 38.000 0.004 0.000 1.342 412 I HN 0.889 nan 8.210 nan 0.000 0.457 413 D N 6.017 126.418 120.400 0.001 0.000 2.329 413 D HA 0.289 4.929 4.640 -0.001 0.000 0.232 413 D C 0.690 176.990 176.300 -0.001 0.000 1.088 413 D CA -0.514 53.486 54.000 -0.001 0.000 0.835 413 D CB 2.035 42.834 40.800 -0.002 0.000 1.078 413 D HN 0.541 nan 8.370 nan 0.000 0.495 414 A N 3.642 126.462 122.820 -0.001 0.000 1.908 414 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 414 A C 1.332 178.916 177.584 -0.002 0.000 1.181 414 A CA 1.539 53.576 52.037 -0.001 0.000 0.627 414 A CB -1.051 17.948 19.000 -0.001 0.000 0.818 414 A HN 0.750 nan 8.150 nan 0.000 0.445 415 T N -2.430 112.122 114.554 -0.003 0.000 2.832 415 T HA 0.461 4.810 4.350 -0.001 0.000 0.296 415 T C 0.979 175.677 174.700 -0.003 0.000 0.968 415 T CA -0.100 61.998 62.100 -0.004 0.000 1.107 415 T CB 1.515 70.380 68.868 -0.005 0.000 0.916 415 T HN 0.431 nan 8.240 nan 0.000 0.517 416 G N 2.562 111.361 108.800 -0.003 0.000 2.959 416 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.203 416 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.203 416 G C 1.108 176.005 174.900 -0.004 0.000 1.176 416 G CA -0.286 44.812 45.100 -0.002 0.000 0.860 416 G HN 0.646 nan 8.290 nan 0.000 0.507 417 N N 1.261 119.957 118.700 -0.006 0.000 2.085 417 N HA -0.068 4.672 4.740 -0.001 0.000 0.191 417 N C 1.845 177.348 175.510 -0.011 0.000 1.058 417 N CA 1.055 54.100 53.050 -0.009 0.000 0.849 417 N CB -0.672 37.809 38.487 -0.010 0.000 1.038 417 N HN 0.345 nan 8.380 nan 0.000 0.434 418 S N 0.918 116.611 115.700 -0.012 0.000 2.560 418 S HA 0.240 4.709 4.470 -0.001 0.000 0.284 418 S C 0.164 174.756 174.600 -0.013 0.000 1.327 418 S CA -0.736 57.455 58.200 -0.015 0.000 1.055 418 S CB 1.138 64.329 63.200 -0.016 0.000 0.868 418 S HN 0.092 nan 8.310 nan 0.000 0.506 419 V N 2.349 122.252 119.914 -0.018 0.000 2.769 419 V HA 0.811 4.930 4.120 -0.001 0.000 0.312 419 V C 0.021 176.102 176.094 -0.021 0.000 1.058 419 V CA -0.076 62.214 62.300 -0.017 0.000 0.952 419 V CB 2.114 33.925 31.823 -0.020 0.000 1.019 419 V HN 1.340 nan 8.190 nan 0.000 0.445 420 S N 4.394 120.085 115.700 -0.015 0.000 2.677 420 S HA 0.769 5.238 4.470 -0.001 0.000 0.304 420 S C 1.009 175.598 174.600 -0.018 0.000 1.108 420 S CA -0.054 58.138 58.200 -0.013 0.000 0.944 420 S CB 1.669 64.869 63.200 0.000 0.000 1.127 420 S HN 1.522 nan 8.310 nan 0.000 0.511 421 A N 1.587 124.401 122.820 -0.011 0.000 1.873 421 A HA 0.091 4.411 4.320 -0.001 0.000 0.218 421 A C 2.202 179.777 177.584 -0.015 0.000 1.193 421 A CA 2.212 54.239 52.037 -0.017 0.000 0.629 421 A CB -2.003 17.026 19.000 0.048 0.000 0.826 421 A HN 1.367 nan 8.150 nan 0.000 0.447 422 G N -1.413 107.395 108.800 0.013 0.000 2.476 422 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.218 422 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.218 422 G C 1.657 176.565 174.900 0.012 0.000 1.164 422 G CA 1.147 46.256 45.100 0.016 0.000 0.768 422 G HN 0.497 nan 8.290 nan 0.000 0.560 423 Q N -0.245 119.561 119.800 0.010 0.000 2.079 423 Q HA 0.063 4.403 4.340 -0.001 0.000 0.200 423 Q C 2.862 178.864 176.000 0.003 0.000 0.974 423 Q CA 0.809 56.622 55.803 0.016 0.000 0.840 423 Q CB -0.273 28.473 28.738 0.012 0.000 0.898 423 Q HN 0.517 nan 8.270 nan 0.000 0.430 424 L N 0.235 121.444 121.223 -0.024 0.000 2.083 424 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 424 L C 2.387 179.221 176.870 -0.060 0.000 1.083 424 L CA 0.839 55.651 54.840 -0.045 0.000 0.752 424 L CB -0.326 41.688 42.059 -0.074 0.000 0.899 424 L HN 0.182 nan 8.230 nan 0.000 0.433 425 L N -1.786 119.395 121.223 -0.070 0.000 2.109 425 L HA -0.205 4.135 4.340 -0.001 0.000 0.207 425 L C 2.601 179.419 176.870 -0.086 0.000 1.086 425 L CA 0.754 55.539 54.840 -0.090 0.000 0.760 425 L CB -0.519 41.491 42.059 -0.082 0.000 0.910 425 L HN 0.358 nan 8.230 nan 0.000 0.437 426 C N 0.031 119.318 119.300 -0.021 0.000 2.435 426 C HA -0.062 4.398 4.460 -0.001 0.000 0.279 426 C C 2.816 177.855 174.990 0.081 0.000 1.321 426 C CA 0.912 59.959 59.018 0.048 0.000 1.752 426 C CB -1.404 26.432 27.740 0.160 0.000 1.959 426 C HN 0.695 nan 8.230 nan 0.000 0.500 427 G N 0.075 108.905 108.800 0.051 0.000 2.448 427 G HA2 0.097 4.057 3.960 -0.001 0.000 0.218 427 G HA3 0.097 4.057 3.960 -0.001 0.000 0.218 427 G C 1.727 176.634 174.900 0.011 0.000 1.135 427 G CA 1.069 46.207 45.100 0.063 0.000 0.784 427 G HN 0.563 nan 8.290 nan 0.000 0.543 428 G N 0.855 109.621 108.800 -0.056 0.000 2.396 428 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.214 428 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.214 428 G C 1.754 176.560 174.900 -0.157 0.000 1.166 428 G CA 0.372 45.424 45.100 -0.080 0.000 0.793 428 G HN 0.380 nan 8.290 nan 0.000 0.533 429 L N -0.586 120.439 121.223 -0.329 0.000 2.043 429 L HA -0.056 4.283 4.340 -0.001 0.000 0.212 429 L C 1.767 178.247 176.870 -0.650 0.000 1.075 429 L CA 1.069 55.529 54.840 -0.633 0.000 0.752 429 L CB -0.252 41.118 42.059 -1.147 0.000 0.891 429 L HN 0.228 nan 8.230 nan 0.000 0.432 430 F N -1.800 118.164 119.950 0.022 0.000 2.668 430 F HA 0.232 4.756 4.527 -0.005 0.000 0.301 430 F C 1.350 177.160 175.800 0.016 0.000 1.106 430 F CA -0.499 57.513 58.000 0.020 0.000 1.289 430 F CB -0.476 38.535 39.000 0.019 0.000 1.006 430 F HN -0.162 nan 8.300 nan 0.000 0.535 431 S N 0.428 116.183 115.700 0.092 0.000 2.612 431 S HA 0.039 4.508 4.470 -0.001 0.000 0.253 431 S C 1.698 176.336 174.600 0.064 0.000 1.346 431 S CA 0.588 58.827 58.200 0.066 0.000 0.976 431 S CB 0.598 63.816 63.200 0.030 0.000 0.949 431 S HN 0.431 nan 8.310 nan 0.000 0.584 432 T N -0.964 113.618 114.554 0.046 0.000 3.057 432 T HA 0.150 4.499 4.350 -0.001 0.000 0.254 432 T C 0.375 175.090 174.700 0.026 0.000 1.094 432 T CA 0.013 62.136 62.100 0.037 0.000 1.088 432 T CB -0.266 68.619 68.868 0.029 0.000 0.934 432 T HN 0.541 nan 8.240 nan 0.000 0.497 433 D N 2.609 123.022 120.400 0.023 0.000 2.371 433 D HA 0.156 4.796 4.640 -0.001 0.000 0.256 433 D C 1.414 177.728 176.300 0.023 0.000 1.193 433 D CA 0.128 54.139 54.000 0.018 0.000 0.881 433 D CB 1.494 42.306 40.800 0.021 0.000 1.143 433 D HN 0.319 nan 8.370 nan 0.000 0.473 434 S N 3.406 119.115 115.700 0.015 0.000 2.428 434 S HA -0.147 4.323 4.470 -0.001 0.000 0.230 434 S C 1.988 176.622 174.600 0.056 0.000 1.014 434 S CA 0.091 58.307 58.200 0.027 0.000 0.957 434 S CB -0.089 63.112 63.200 0.001 0.000 0.784 434 S HN 0.426 nan 8.310 nan 0.000 0.499 435 L N 2.407 123.651 121.223 0.034 0.000 2.012 435 L HA -0.048 4.292 4.340 -0.001 0.000 0.210 435 L C 2.887 179.838 176.870 0.135 0.000 1.073 435 L CA 1.750 56.635 54.840 0.075 0.000 0.748 435 L CB -1.303 40.801 42.059 0.074 0.000 0.891 435 L HN 0.307 nan 8.230 nan 0.000 0.431 436 S N -0.607 115.143 115.700 0.083 0.000 2.368 436 S HA -0.176 4.294 4.470 -0.001 0.000 0.225 436 S C 1.716 176.341 174.600 0.041 0.000 1.030 436 S CA 1.545 59.779 58.200 0.056 0.000 0.999 436 S CB -0.629 62.585 63.200 0.023 0.000 0.844 436 S HN 0.559 nan 8.310 nan 0.000 0.459 437 N N -0.072 118.653 118.700 0.042 0.000 2.043 437 N HA -0.170 4.569 4.740 -0.001 0.000 0.193 437 N C 1.562 177.091 175.510 0.032 0.000 1.037 437 N CA 1.518 54.569 53.050 0.002 0.000 0.851 437 N CB -0.229 38.269 38.487 0.018 0.000 1.027 437 N HN 0.479 nan 8.380 nan 0.000 0.422 438 W N 1.825 123.083 121.300 -0.070 0.000 2.332 438 W HA -0.230 4.428 4.660 -0.003 0.000 0.321 438 W C 2.359 178.854 176.519 -0.041 0.000 1.219 438 W CA 1.125 58.429 57.345 -0.068 0.000 1.277 438 W CB -0.706 28.701 29.460 -0.088 0.000 1.161 438 W HN 0.046 nan 8.180 nan 0.000 0.476 439 C N 0.533 120.049 119.300 0.360 0.000 2.376 439 C HA -0.260 4.199 4.460 -0.001 0.000 0.275 439 C C 2.992 177.968 174.990 -0.023 0.000 1.200 439 C CA 1.949 61.078 59.018 0.186 0.000 1.756 439 C CB -1.807 26.053 27.740 0.201 0.000 2.050 439 C HN 0.538 nan 8.230 nan 0.000 0.460 440 A N 0.006 122.796 122.820 -0.050 0.000 1.972 440 A HA 0.102 4.422 4.320 -0.001 0.000 0.219 440 A C 2.303 179.810 177.584 -0.128 0.000 1.169 440 A CA 2.103 54.078 52.037 -0.103 0.000 0.635 440 A CB -0.709 18.215 19.000 -0.127 0.000 0.810 440 A HN 0.617 nan 8.150 nan 0.000 0.446 441 A N -0.090 122.623 122.820 -0.178 0.000 1.874 441 A HA 0.090 4.410 4.320 -0.001 0.000 0.214 441 A C 2.332 179.782 177.584 -0.223 0.000 1.189 441 A CA 1.840 53.754 52.037 -0.205 0.000 0.615 441 A CB -1.208 17.648 19.000 -0.240 0.000 0.830 441 A HN 1.080 nan 8.150 nan 0.000 0.443 442 V N -1.819 117.873 119.914 -0.369 0.000 2.295 442 V HA -0.134 3.986 4.120 -0.001 0.000 0.246 442 V C 2.567 178.662 176.094 0.002 0.000 1.049 442 V CA 1.957 64.097 62.300 -0.266 0.000 1.024 442 V CB -1.725 29.775 31.823 -0.537 0.000 0.648 442 V HN 0.520 nan 8.190 nan 0.000 0.447 443 A N 0.662 123.488 122.820 0.011 0.000 1.917 443 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 443 A C 2.315 180.060 177.584 0.268 0.000 1.182 443 A CA 2.510 54.684 52.037 0.228 0.000 0.633 443 A CB -0.823 18.275 19.000 0.163 0.000 0.819 443 A HN 0.600 nan 8.150 nan 0.000 0.448 444 L N -1.021 120.257 121.223 0.091 0.000 2.046 444 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 444 L C 3.111 179.963 176.870 -0.031 0.000 1.077 444 L CA 1.077 55.922 54.840 0.008 0.000 0.747 444 L CB -0.444 41.556 42.059 -0.099 0.000 0.896 444 L HN 0.452 nan 8.230 nan 0.000 0.432 445 A N -1.162 121.652 122.820 -0.010 0.000 1.940 445 A HA -0.267 4.053 4.320 -0.001 0.000 0.219 445 A C 2.086 179.666 177.584 -0.007 0.000 1.176 445 A CA 1.556 53.583 52.037 -0.018 0.000 0.631 445 A CB -0.914 18.093 19.000 0.012 0.000 0.814 445 A HN 0.495 nan 8.150 nan 0.000 0.446 446 H N -1.019 118.045 119.070 -0.009 0.000 2.456 446 H HA -0.000 4.555 4.556 -0.000 0.000 0.296 446 H C 2.246 177.538 175.328 -0.060 0.000 1.079 446 H CA 1.096 57.141 56.048 -0.004 0.000 1.322 446 H CB 0.057 29.834 29.762 0.024 0.000 1.388 446 H HN 0.569 nan 8.280 nan 0.000 0.538 447 A N 0.315 123.154 122.820 0.031 0.000 2.178 447 A HA 0.084 4.404 4.320 -0.001 0.000 0.211 447 A C 2.239 179.764 177.584 -0.097 0.000 1.157 447 A CA 0.203 52.218 52.037 -0.038 0.000 0.780 447 A CB -0.059 18.950 19.000 0.013 0.000 0.828 447 A HN 0.235 nan 8.150 nan 0.000 0.476 448 L N -1.479 119.671 121.223 -0.122 0.000 2.425 448 L HA 0.107 4.447 4.340 -0.001 0.000 0.215 448 L C 0.706 177.506 176.870 -0.117 0.000 1.065 448 L CA -0.094 54.653 54.840 -0.156 0.000 0.842 448 L CB -0.199 41.721 42.059 -0.231 0.000 1.033 448 L HN 0.340 nan 8.230 nan 0.000 0.474 449 Q N 1.407 121.139 119.800 -0.113 0.000 2.398 449 Q HA -0.157 4.182 4.340 -0.001 0.000 0.329 449 Q C -0.059 175.881 176.000 -0.100 0.000 1.079 449 Q CA 0.618 56.357 55.803 -0.107 0.000 1.041 449 Q CB 0.146 28.800 28.738 -0.139 0.000 1.084 449 Q HN 0.098 nan 8.270 nan 0.000 0.386 450 E N 1.058 121.209 120.200 -0.081 0.000 2.539 450 E HA -0.291 4.059 4.350 -0.001 0.000 0.253 450 E C -0.808 175.746 176.600 -0.076 0.000 1.145 450 E CA 0.601 56.956 56.400 -0.074 0.000 0.738 450 E CB -0.741 28.910 29.700 -0.080 0.000 1.308 450 E HN 0.402 nan 8.360 nan 0.000 0.409 451 N N -0.942 117.713 118.700 -0.075 0.000 2.716 451 N HA 0.436 5.175 4.740 -0.001 0.000 0.253 451 N C 0.398 175.877 175.510 -0.052 0.000 1.170 451 N CA 0.542 53.550 53.050 -0.069 0.000 0.807 451 N CB 0.719 39.155 38.487 -0.085 0.000 1.183 451 N HN 0.114 nan 8.380 nan 0.000 0.524 452 A N 1.552 124.350 122.820 -0.037 0.000 1.933 452 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 452 A C 1.890 179.468 177.584 -0.009 0.000 1.175 452 A CA 1.922 53.949 52.037 -0.017 0.000 0.628 452 A CB -0.514 18.480 19.000 -0.011 0.000 0.814 452 A HN 0.565 nan 8.150 nan 0.000 0.444 453 T N 0.181 114.723 114.554 -0.019 0.000 2.652 453 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 453 T C 2.030 176.719 174.700 -0.018 0.000 1.039 453 T CA 1.658 63.749 62.100 -0.015 0.000 1.153 453 T CB -0.282 68.573 68.868 -0.021 0.000 0.863 453 T HN 0.474 nan 8.240 nan 0.000 0.428 454 Q N 0.980 120.757 119.800 -0.039 0.000 2.167 454 Q HA 0.048 4.388 4.340 -0.001 0.000 0.202 454 Q C 2.253 178.210 176.000 -0.072 0.000 0.970 454 Q CA 1.088 56.856 55.803 -0.058 0.000 0.855 454 Q CB -0.298 28.391 28.738 -0.082 0.000 0.911 454 Q HN 0.531 nan 8.270 nan 0.000 0.438 455 K N 0.753 121.124 120.400 -0.049 0.000 2.097 455 K HA -0.152 4.168 4.320 -0.001 0.000 0.206 455 K C 2.000 178.700 176.600 0.166 0.000 1.049 455 K CA 1.188 57.488 56.287 0.022 0.000 0.933 455 K CB 0.055 32.614 32.500 0.097 0.000 0.717 455 K HN 0.295 nan 8.250 nan 0.000 0.442 456 E N 0.232 120.481 120.200 0.080 0.000 2.072 456 E HA -0.148 4.201 4.350 -0.001 0.000 0.190 456 E C 2.208 178.836 176.600 0.046 0.000 0.982 456 E CA 0.664 57.096 56.400 0.055 0.000 0.803 456 E CB 0.161 29.875 29.700 0.023 0.000 0.755 456 E HN 0.219 nan 8.360 nan 0.000 0.453 457 Q N 0.443 120.261 119.800 0.029 0.000 2.084 457 Q HA -0.162 4.178 4.340 -0.001 0.000 0.202 457 Q C 2.316 178.346 176.000 0.050 0.000 0.978 457 Q CA 0.866 56.684 55.803 0.025 0.000 0.844 457 Q CB -0.324 28.416 28.738 0.003 0.000 0.898 457 Q HN 0.227 nan 8.270 nan 0.000 0.426 458 L N 0.463 121.713 121.223 0.044 0.000 2.265 458 L HA -0.141 4.199 4.340 -0.001 0.000 0.215 458 L C 1.878 178.951 176.870 0.338 0.000 1.117 458 L CA 0.852 55.731 54.840 0.065 0.000 0.782 458 L CB -0.398 41.482 42.059 -0.298 0.000 0.914 458 L HN 0.129 nan 8.230 nan 0.000 0.441 459 L N -0.700 120.720 121.223 0.328 0.000 2.265 459 L HA -0.148 4.192 4.340 -0.001 0.000 0.215 459 L C 2.470 179.402 176.870 0.103 0.000 1.117 459 L CA 1.505 56.454 54.840 0.182 0.000 0.782 459 L CB -0.850 41.139 42.059 -0.117 0.000 0.914 459 L HN 0.294 nan 8.230 nan 0.000 0.441 460 R N -1.605 118.953 120.500 0.096 0.000 2.240 460 R HA 0.091 4.431 4.340 -0.001 0.000 0.203 460 R C 0.471 176.828 176.300 0.095 0.000 1.011 460 R CA -0.162 55.986 56.100 0.080 0.000 1.007 460 R CB -0.050 30.283 30.300 0.056 0.000 0.911 460 R HN 0.054 nan 8.270 nan 0.000 0.468 461 V N 2.987 122.976 119.914 0.125 0.000 2.557 461 V HA -0.072 4.048 4.120 -0.001 0.000 0.301 461 V C 0.366 176.532 176.094 0.121 0.000 1.026 461 V CA 0.722 63.095 62.300 0.122 0.000 1.137 461 V CB 0.627 32.535 31.823 0.143 0.000 0.917 461 V HN 0.213 nan 8.190 nan 0.000 0.484 462 Q N 4.721 124.575 119.800 0.088 0.000 2.342 462 Q HA 0.641 4.980 4.340 -0.001 0.000 0.267 462 Q C -0.933 175.102 176.000 0.057 0.000 1.038 462 Q CA -0.625 55.219 55.803 0.068 0.000 0.832 462 Q CB 2.894 31.661 28.738 0.049 0.000 1.323 462 Q HN 0.604 nan 8.270 nan 0.000 0.448 463 L N 0.788 122.032 121.223 0.034 0.000 2.334 463 L HA 0.705 5.045 4.340 -0.001 0.000 0.273 463 L C 0.092 176.950 176.870 -0.021 0.000 1.013 463 L CA -1.102 53.740 54.840 0.003 0.000 0.816 463 L CB 1.737 43.768 42.059 -0.046 0.000 1.278 463 L HN 0.604 nan 8.230 nan 0.000 0.431 464 A N 1.044 123.850 122.820 -0.023 0.000 2.371 464 A HA 0.559 4.879 4.320 -0.001 0.000 0.257 464 A C 0.548 178.100 177.584 -0.054 0.000 1.089 464 A CA 0.228 52.248 52.037 -0.027 0.000 0.794 464 A CB 0.557 19.547 19.000 -0.016 0.000 1.029 464 A HN 0.887 nan 8.150 nan 0.000 0.488 465 T N -0.668 113.859 114.554 -0.046 0.000 2.090 465 T HA 0.491 4.840 4.350 -0.001 0.000 0.179 465 T C 0.791 175.466 174.700 -0.042 0.000 0.687 465 T CA 0.561 62.627 62.100 -0.056 0.000 1.523 465 T CB -0.714 68.122 68.868 -0.052 0.000 3.135 465 T HN 1.135 nan 8.240 nan 0.000 0.403 466 S N 0.778 116.458 115.700 -0.033 0.000 2.722 466 S HA 0.508 4.978 4.470 -0.001 0.000 0.292 466 S C 1.104 175.694 174.600 -0.018 0.000 1.135 466 S CA -0.947 57.238 58.200 -0.025 0.000 1.003 466 S CB 0.452 63.638 63.200 -0.023 0.000 1.067 466 S HN 0.441 nan 8.310 nan 0.000 0.546 467 I N 0.652 121.214 120.570 -0.014 0.000 3.164 467 I HA 0.061 4.231 4.170 -0.001 0.000 0.278 467 I C 1.548 177.659 176.117 -0.009 0.000 1.320 467 I CA 0.874 62.168 61.300 -0.010 0.000 1.422 467 I CB -2.307 35.689 38.000 -0.008 0.000 1.066 467 I HN 0.952 nan 8.210 nan 0.000 0.503 468 G N -0.222 108.572 108.800 -0.010 0.000 2.663 468 G HA2 0.068 4.028 3.960 -0.001 0.000 0.200 468 G HA3 0.068 4.028 3.960 -0.001 0.000 0.200 468 G C 0.653 175.547 174.900 -0.010 0.000 1.114 468 G CA -0.274 44.820 45.100 -0.009 0.000 0.861 468 G HN 0.224 nan 8.290 nan 0.000 0.702 469 N N 1.256 119.948 118.700 -0.013 0.000 2.463 469 N HA 0.367 5.106 4.740 -0.001 0.000 0.270 469 N C -2.583 172.919 175.510 -0.013 0.000 1.205 469 N CA -0.872 52.169 53.050 -0.014 0.000 0.974 469 N CB 1.443 39.918 38.487 -0.020 0.000 1.197 469 N HN -0.031 nan 8.380 nan 0.000 0.504 470 P HA 0.255 nan 4.420 nan 0.000 0.274 470 P C -2.481 174.813 177.300 -0.011 0.000 1.231 470 P CA -0.969 62.126 63.100 -0.008 0.000 0.790 470 P CB -0.200 31.497 31.700 -0.005 0.000 0.951 471 P HA 0.040 nan 4.420 nan 0.000 0.269 471 P C -0.751 176.546 177.300 -0.005 0.000 1.215 471 P CA 0.109 63.206 63.100 -0.006 0.000 0.780 471 P CB 0.644 32.348 31.700 0.007 0.000 0.898 472 V N 1.875 121.781 119.914 -0.013 0.000 2.628 472 V HA 0.349 4.469 4.120 -0.001 0.000 0.306 472 V C 0.356 176.461 176.094 0.018 0.000 1.045 472 V CA -0.483 61.812 62.300 -0.009 0.000 0.905 472 V CB 1.821 33.620 31.823 -0.039 0.000 0.997 472 V HN 0.849 nan 8.190 nan 0.000 0.436 473 S N 5.622 121.349 115.700 0.045 0.000 2.593 473 S HA 0.152 4.621 4.470 -0.001 0.000 0.269 473 S C 0.930 175.606 174.600 0.127 0.000 1.334 473 S CA 0.094 58.348 58.200 0.089 0.000 1.015 473 S CB 1.131 64.390 63.200 0.097 0.000 0.912 473 S HN 0.909 nan 8.310 nan 0.000 0.541 474 L N 1.827 123.178 121.223 0.213 0.000 2.012 474 L HA -0.014 4.326 4.340 -0.001 0.000 0.210 474 L C 2.268 179.351 176.870 0.355 0.000 1.073 474 L CA 1.914 56.955 54.840 0.335 0.000 0.748 474 L CB -1.182 41.123 42.059 0.411 0.000 0.891 474 L HN 0.870 nan 8.230 nan 0.000 0.431 475 L N -0.558 120.819 121.223 0.256 0.000 2.013 475 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 475 L C 2.513 179.404 176.870 0.036 0.000 1.073 475 L CA 2.310 57.088 54.840 -0.103 0.000 0.753 475 L CB -0.744 41.006 42.059 -0.515 0.000 0.890 475 L HN 0.508 nan 8.230 nan 0.000 0.432 476 Q N -0.970 118.859 119.800 0.048 0.000 2.172 476 Q HA -0.207 4.133 4.340 -0.001 0.000 0.200 476 Q C 2.242 178.266 176.000 0.040 0.000 0.964 476 Q CA 1.628 57.443 55.803 0.020 0.000 0.855 476 Q CB -0.244 28.491 28.738 -0.005 0.000 0.918 476 Q HN 0.634 nan 8.270 nan 0.000 0.444 477 Q N -0.767 119.082 119.800 0.081 0.000 2.119 477 Q HA -0.079 4.261 4.340 -0.001 0.000 0.201 477 Q C 1.996 178.120 176.000 0.207 0.000 0.972 477 Q CA 1.891 57.738 55.803 0.074 0.000 0.847 477 Q CB -0.718 28.002 28.738 -0.030 0.000 0.903 477 Q HN 0.518 nan 8.270 nan 0.000 0.433 478 C N -0.416 119.060 119.300 0.293 0.000 2.413 478 C HA -0.125 4.335 4.460 -0.001 0.000 0.276 478 C C 2.531 177.621 174.990 0.167 0.000 1.248 478 C CA 1.507 60.688 59.018 0.272 0.000 1.742 478 C CB -1.257 26.652 27.740 0.282 0.000 2.017 478 C HN 0.593 nan 8.230 nan 0.000 0.481 479 T N 1.184 115.820 114.554 0.136 0.000 2.867 479 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 479 T C 1.545 176.194 174.700 -0.085 0.000 1.057 479 T CA 1.211 63.359 62.100 0.079 0.000 1.136 479 T CB -0.364 68.562 68.868 0.097 0.000 0.874 479 T HN 0.490 nan 8.240 nan 0.000 0.466 480 N N 1.123 119.791 118.700 -0.054 0.000 2.188 480 N HA 0.062 4.801 4.740 -0.001 0.000 0.184 480 N C 1.682 177.143 175.510 -0.082 0.000 1.018 480 N CA 0.705 53.692 53.050 -0.104 0.000 0.858 480 N CB -0.351 38.097 38.487 -0.065 0.000 0.989 480 N HN 0.337 nan 8.380 nan 0.000 0.426 481 I N 0.994 121.572 120.570 0.014 0.000 2.493 481 I HA -0.153 4.017 4.170 -0.001 0.000 0.254 481 I C 1.940 178.062 176.117 0.008 0.000 1.160 481 I CA 0.473 61.800 61.300 0.044 0.000 1.445 481 I CB -0.154 37.926 38.000 0.134 0.000 1.086 481 I HN 0.072 nan 8.210 nan 0.000 0.433 482 L N -0.013 121.194 121.223 -0.027 0.000 2.127 482 L HA -0.216 4.123 4.340 -0.001 0.000 0.211 482 L C 2.340 179.201 176.870 -0.016 0.000 1.089 482 L CA 1.725 56.575 54.840 0.017 0.000 0.757 482 L CB -0.760 41.342 42.059 0.071 0.000 0.899 482 L HN 0.406 nan 8.230 nan 0.000 0.434 483 S N -2.573 112.975 115.700 -0.254 0.000 2.556 483 S HA 0.072 4.542 4.470 -0.001 0.000 0.216 483 S C 0.815 175.401 174.600 -0.024 0.000 0.970 483 S CA -0.442 57.674 58.200 -0.140 0.000 0.912 483 S CB 0.139 63.127 63.200 -0.354 0.000 0.790 483 S HN 0.284 nan 8.310 nan 0.000 0.504 484 Q N 1.119 120.906 119.800 -0.022 0.000 2.500 484 Q HA 0.538 4.878 4.340 -0.001 0.000 0.215 484 Q C 1.156 177.177 176.000 0.036 0.000 1.062 484 Q CA 0.547 56.356 55.803 0.010 0.000 0.996 484 Q CB 0.178 28.924 28.738 0.014 0.000 1.239 484 Q HN 0.436 nan 8.270 nan 0.000 0.578 485 G N 0.318 109.138 108.800 0.033 0.000 3.340 485 G HA2 0.058 4.017 3.960 -0.001 0.000 0.240 485 G HA3 0.058 4.017 3.960 -0.001 0.000 0.240 485 G C -0.305 174.617 174.900 0.036 0.000 1.327 485 G CA 0.021 45.143 45.100 0.037 0.000 1.170 485 G HN 0.487 nan 8.290 nan 0.000 0.520 486 S N -0.186 115.540 115.700 0.043 0.000 2.572 486 S HA 0.291 4.761 4.470 -0.001 0.000 0.279 486 S C 0.308 174.930 174.600 0.036 0.000 1.341 486 S CA -0.474 57.752 58.200 0.042 0.000 1.043 486 S CB 1.706 64.937 63.200 0.052 0.000 0.887 486 S HN 0.333 nan 8.310 nan 0.000 0.516 487 K N 0.899 121.313 120.400 0.024 0.000 2.319 487 K HA 0.146 4.466 4.320 -0.001 0.000 0.265 487 K C 1.560 178.167 176.600 0.012 0.000 1.000 487 K CA 0.003 56.296 56.287 0.009 0.000 0.943 487 K CB 0.336 32.831 32.500 -0.008 0.000 0.950 487 K HN 0.765 nan 8.250 nan 0.000 0.485 488 I N -0.220 120.348 120.570 -0.002 0.000 2.361 488 I HA -0.321 3.849 4.170 -0.001 0.000 0.251 488 I C 2.339 178.451 176.117 -0.008 0.000 1.133 488 I CA 1.354 62.653 61.300 -0.002 0.000 1.413 488 I CB -0.226 37.763 38.000 -0.017 0.000 1.073 488 I HN 0.673 nan 8.210 nan 0.000 0.424 489 Q N 1.012 120.796 119.800 -0.027 0.000 2.135 489 Q HA -0.257 4.082 4.340 -0.001 0.000 0.204 489 Q C 2.320 178.386 176.000 0.110 0.000 0.981 489 Q CA 2.657 58.453 55.803 -0.013 0.000 0.856 489 Q CB -0.251 28.426 28.738 -0.102 0.000 0.902 489 Q HN 0.725 nan 8.270 nan 0.000 0.425 490 T N -0.435 114.160 114.554 0.068 0.000 2.857 490 T HA -0.102 4.248 4.350 -0.001 0.000 0.266 490 T C 1.689 176.421 174.700 0.055 0.000 1.048 490 T CA 1.123 63.267 62.100 0.074 0.000 1.139 490 T CB -0.133 68.765 68.868 0.050 0.000 0.874 490 T HN 0.447 nan 8.240 nan 0.000 0.455 491 R N 1.400 121.930 120.500 0.051 0.000 2.153 491 R HA 0.111 4.451 4.340 -0.001 0.000 0.218 491 R C 2.651 178.963 176.300 0.020 0.000 1.072 491 R CA 1.340 57.471 56.100 0.051 0.000 0.990 491 R CB -1.282 29.067 30.300 0.081 0.000 0.889 491 R HN 0.527 nan 8.270 nan 0.000 0.452 492 V N 0.178 120.096 119.914 0.008 0.000 2.295 492 V HA -0.031 4.089 4.120 -0.001 0.000 0.246 492 V C 2.296 178.318 176.094 -0.120 0.000 1.049 492 V CA 1.913 64.180 62.300 -0.054 0.000 1.024 492 V CB -1.520 30.246 31.823 -0.094 0.000 0.648 492 V HN 0.263 nan 8.190 nan 0.000 0.447 493 G N 0.714 109.481 108.800 -0.054 0.000 2.574 493 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.220 493 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.220 493 G C 1.618 176.363 174.900 -0.258 0.000 1.173 493 G CA 1.684 46.574 45.100 -0.350 0.000 0.772 493 G HN 0.562 nan 8.290 nan 0.000 0.585 494 L N -0.364 120.793 121.223 -0.111 0.000 2.109 494 L HA 0.088 4.428 4.340 -0.001 0.000 0.207 494 L C 2.911 179.768 176.870 -0.020 0.000 1.086 494 L CA 0.352 55.167 54.840 -0.042 0.000 0.760 494 L CB -0.366 41.708 42.059 0.024 0.000 0.910 494 L HN 0.180 nan 8.230 nan 0.000 0.437 495 L N -0.877 120.323 121.223 -0.039 0.000 2.141 495 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 495 L C 2.646 179.437 176.870 -0.132 0.000 1.094 495 L CA 1.059 55.881 54.840 -0.030 0.000 0.763 495 L CB -0.262 41.799 42.059 0.004 0.000 0.908 495 L HN 0.293 nan 8.230 nan 0.000 0.437 496 M N -1.089 118.303 119.600 -0.346 0.000 2.132 496 M HA -0.209 4.271 4.480 -0.001 0.000 0.263 496 M C 2.313 178.509 176.300 -0.173 0.000 1.065 496 M CA 1.477 56.429 55.300 -0.581 0.000 1.122 496 M CB -0.445 31.648 32.600 -0.846 0.000 1.365 496 M HN 0.230 nan 8.290 nan 0.000 0.411 497 L N 1.213 122.367 121.223 -0.115 0.000 1.970 497 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 497 L C 2.170 179.143 176.870 0.172 0.000 1.071 497 L CA 1.918 56.774 54.840 0.027 0.000 0.751 497 L CB -0.840 41.237 42.059 0.030 0.000 0.889 497 L HN 0.221 nan 8.230 nan 0.000 0.432 498 L N -1.352 119.960 121.223 0.149 0.000 2.012 498 L HA -0.324 4.016 4.340 -0.001 0.000 0.210 498 L C 2.656 179.567 176.870 0.068 0.000 1.073 498 L CA 1.702 56.614 54.840 0.120 0.000 0.748 498 L CB -0.938 41.133 42.059 0.020 0.000 0.891 498 L HN 0.430 nan 8.230 nan 0.000 0.431 499 C N -0.607 118.745 119.300 0.086 0.000 2.413 499 C HA -0.186 4.274 4.460 -0.001 0.000 0.277 499 C C 2.965 178.051 174.990 0.160 0.000 1.228 499 C CA 1.571 60.676 59.018 0.145 0.000 1.731 499 C CB -1.044 26.887 27.740 0.319 0.000 2.042 499 C HN 0.552 nan 8.230 nan 0.000 0.468 500 T N -0.431 114.240 114.554 0.194 0.000 2.759 500 T HA -0.228 4.122 4.350 -0.001 0.000 0.269 500 T C 1.541 176.325 174.700 0.141 0.000 1.042 500 T CA 1.655 63.841 62.100 0.144 0.000 1.140 500 T CB -0.296 68.640 68.868 0.113 0.000 0.864 500 T HN 0.712 nan 8.240 nan 0.000 0.455 501 W N 1.376 122.652 121.300 -0.039 0.000 2.409 501 W HA 0.114 4.773 4.660 -0.001 0.000 0.299 501 W C 1.592 178.064 176.519 -0.078 0.000 1.203 501 W CA 0.274 57.589 57.345 -0.051 0.000 1.298 501 W CB -0.849 28.593 29.460 -0.032 0.000 1.127 501 W HN 0.181 nan 8.180 nan 0.000 0.528 502 L N 0.910 122.196 121.223 0.105 0.000 2.240 502 L HA -0.010 4.330 4.340 -0.001 0.000 0.211 502 L C 1.693 178.491 176.870 -0.120 0.000 1.106 502 L CA 1.076 55.891 54.840 -0.041 0.000 0.793 502 L CB -1.490 40.487 42.059 -0.137 0.000 0.927 502 L HN -0.204 nan 8.230 nan 0.000 0.446 503 S N 1.081 116.689 115.700 -0.153 0.000 2.593 503 S HA -0.146 4.324 4.470 -0.001 0.000 0.300 503 S C 1.021 175.200 174.600 -0.703 0.000 1.267 503 S CA -0.073 57.847 58.200 -0.465 0.000 1.065 503 S CB -0.315 62.779 63.200 -0.177 0.000 0.807 503 S HN 0.542 nan 8.310 nan 0.000 0.499 504 N N 1.765 119.507 118.700 -1.597 0.000 2.696 504 N HA -0.202 4.538 4.740 -0.001 0.000 0.249 504 N C -0.540 174.786 175.510 -0.307 0.000 1.090 504 N CA 1.158 53.717 53.050 -0.819 0.000 0.716 504 N CB -1.688 36.599 38.487 -0.333 0.000 1.020 504 N HN 0.581 nan 8.380 nan 0.000 0.548 505 C N -0.030 119.122 119.300 -0.247 0.000 3.287 505 C HA 0.295 4.755 4.460 -0.001 0.000 0.260 505 C C -1.450 173.557 174.990 0.028 0.000 1.133 505 C CA -1.402 57.588 59.018 -0.047 0.000 1.402 505 C CB 0.895 28.636 27.740 0.001 0.000 1.832 505 C HN 0.140 nan 8.230 nan 0.000 0.509 506 P HA -0.121 nan 4.420 nan 0.000 0.217 506 P C 1.222 178.592 177.300 0.117 0.000 1.148 506 P CA 1.534 64.707 63.100 0.122 0.000 0.828 506 P CB 0.157 31.925 31.700 0.113 0.000 0.783 507 I N -0.562 120.070 120.570 0.103 0.000 2.286 507 I HA -0.135 4.034 4.170 -0.001 0.000 0.245 507 I C 2.381 178.600 176.117 0.169 0.000 1.104 507 I CA 1.452 62.835 61.300 0.139 0.000 1.397 507 I CB -1.656 36.401 38.000 0.095 0.000 1.072 507 I HN -0.141 nan 8.210 nan 0.000 0.417 508 A N 0.398 123.258 122.820 0.066 0.000 1.969 508 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 508 A C 2.439 180.057 177.584 0.057 0.000 1.169 508 A CA 1.492 53.522 52.037 -0.013 0.000 0.635 508 A CB -0.987 17.956 19.000 -0.094 0.000 0.810 508 A HN 0.250 nan 8.150 nan 0.000 0.445 509 V N -0.202 119.769 119.914 0.095 0.000 2.343 509 V HA -0.233 3.886 4.120 -0.001 0.000 0.247 509 V C 2.729 178.955 176.094 0.219 0.000 1.051 509 V CA 2.494 64.882 62.300 0.146 0.000 1.036 509 V CB -1.305 30.609 31.823 0.152 0.000 0.654 509 V HN 0.599 nan 8.190 nan 0.000 0.451 510 T N -1.064 113.614 114.554 0.205 0.000 2.708 510 T HA -0.211 4.139 4.350 -0.001 0.000 0.266 510 T C 1.818 176.622 174.700 0.172 0.000 1.037 510 T CA 1.948 64.159 62.100 0.184 0.000 1.146 510 T CB -0.372 68.581 68.868 0.142 0.000 0.865 510 T HN 0.567 nan 8.240 nan 0.000 0.435 511 H N -0.383 118.735 119.070 0.080 0.000 2.421 511 H HA 0.089 4.645 4.556 -0.001 0.000 0.298 511 H C 1.723 177.109 175.328 0.097 0.000 1.087 511 H CA 1.067 57.146 56.048 0.052 0.000 1.330 511 H CB -0.386 29.373 29.762 -0.006 0.000 1.388 511 H HN 0.371 nan 8.280 nan 0.000 0.526 512 F N -0.231 119.760 119.950 0.069 0.000 2.187 512 F HA -0.074 4.452 4.527 -0.001 0.000 0.295 512 F C 1.518 177.353 175.800 0.059 0.000 1.091 512 F CA 0.593 58.601 58.000 0.014 0.000 1.308 512 F CB 0.081 39.059 39.000 -0.037 0.000 1.030 512 F HN 0.047 nan 8.300 nan 0.000 0.487 513 L N -0.399 120.951 121.223 0.212 0.000 2.492 513 L HA -0.068 4.271 4.340 -0.001 0.000 0.223 513 L C 1.898 178.879 176.870 0.185 0.000 1.132 513 L CA 1.289 56.228 54.840 0.166 0.000 0.850 513 L CB -1.653 40.553 42.059 0.244 0.000 0.966 513 L HN 0.234 nan 8.230 nan 0.000 0.454 514 H N -0.806 118.287 119.070 0.037 0.000 2.462 514 H HA 0.032 4.587 4.556 -0.001 0.000 0.292 514 H C 1.103 176.413 175.328 -0.029 0.000 1.049 514 H CA 0.460 56.504 56.048 -0.007 0.000 1.334 514 H CB 0.308 30.025 29.762 -0.076 0.000 1.404 514 H HN 0.132 nan 8.280 nan 0.000 0.544 515 N N 0.285 118.972 118.700 -0.022 0.000 2.401 515 N HA -0.059 4.681 4.740 -0.001 0.000 0.255 515 N C 0.746 176.205 175.510 -0.085 0.000 1.110 515 N CA 0.576 53.574 53.050 -0.088 0.000 0.949 515 N CB 0.907 39.324 38.487 -0.118 0.000 1.110 515 N HN 0.427 nan 8.380 nan 0.000 0.490 516 S N 2.577 118.243 115.700 -0.057 0.000 2.507 516 S HA -0.082 4.388 4.470 -0.001 0.000 0.235 516 S C 1.648 176.264 174.600 0.026 0.000 0.988 516 S CA 0.643 58.859 58.200 0.027 0.000 0.944 516 S CB -0.066 63.123 63.200 -0.018 0.000 0.762 516 S HN 0.549 nan 8.310 nan 0.000 0.526 517 A N 2.015 124.815 122.820 -0.034 0.000 2.119 517 A HA 0.054 4.374 4.320 -0.001 0.000 0.217 517 A C 2.041 179.614 177.584 -0.018 0.000 1.153 517 A CA 0.949 52.970 52.037 -0.026 0.000 0.692 517 A CB -0.439 18.525 19.000 -0.059 0.000 0.799 517 A HN 0.533 nan 8.150 nan 0.000 0.458 518 N N 0.104 118.739 118.700 -0.108 0.000 2.182 518 N HA -0.070 4.669 4.740 -0.001 0.000 0.186 518 N C 1.731 177.240 175.510 -0.001 0.000 1.036 518 N CA 1.560 54.509 53.050 -0.168 0.000 0.850 518 N CB -0.678 37.394 38.487 -0.692 0.000 1.010 518 N HN 0.185 nan 8.380 nan 0.000 0.432 519 V N 2.344 122.190 119.914 -0.113 0.000 2.295 519 V HA -0.143 3.977 4.120 -0.001 0.000 0.246 519 V C -0.785 175.290 176.094 -0.031 0.000 1.049 519 V CA 1.769 63.977 62.300 -0.153 0.000 1.024 519 V CB -1.431 30.018 31.823 -0.624 0.000 0.648 519 V HN 0.230 nan 8.190 nan 0.000 0.447 520 P HA -0.193 nan 4.420 nan 0.000 0.218 520 P C 1.659 179.018 177.300 0.098 0.000 1.148 520 P CA 1.447 64.588 63.100 0.067 0.000 0.822 520 P CB -0.123 31.631 31.700 0.089 0.000 0.784 521 F N 0.241 120.193 119.950 0.002 0.000 2.084 521 F HA -0.140 4.388 4.527 0.001 0.000 0.296 521 F C 1.934 177.764 175.800 0.050 0.000 1.111 521 F CA 1.475 59.490 58.000 0.024 0.000 1.224 521 F CB -1.013 37.999 39.000 0.020 0.000 0.991 521 F HN -0.266 nan 8.300 nan 0.000 0.471 522 L N -0.395 120.745 121.223 -0.138 0.000 1.994 522 L HA -0.233 4.107 4.340 -0.001 0.000 0.208 522 L C 2.446 179.221 176.870 -0.157 0.000 1.071 522 L CA 1.886 56.600 54.840 -0.209 0.000 0.745 522 L CB -1.401 40.699 42.059 0.068 0.000 0.892 522 L HN 0.133 nan 8.230 nan 0.000 0.431 523 T N -0.156 114.358 114.554 -0.067 0.000 2.685 523 T HA -0.219 4.131 4.350 -0.001 0.000 0.268 523 T C 1.706 176.372 174.700 -0.056 0.000 1.034 523 T CA 1.672 63.749 62.100 -0.038 0.000 1.149 523 T CB -0.536 68.318 68.868 -0.024 0.000 0.860 523 T HN 0.628 nan 8.240 nan 0.000 0.449 524 G N 0.200 108.943 108.800 -0.096 0.000 2.394 524 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.215 524 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.215 524 G C 1.586 176.417 174.900 -0.114 0.000 1.165 524 G CA 0.276 45.330 45.100 -0.077 0.000 0.784 524 G HN 0.365 nan 8.290 nan 0.000 0.535 525 Q N 0.047 119.693 119.800 -0.257 0.000 2.084 525 Q HA -0.011 4.329 4.340 -0.001 0.000 0.202 525 Q C 2.718 178.659 176.000 -0.099 0.000 0.978 525 Q CA 0.929 56.593 55.803 -0.231 0.000 0.844 525 Q CB -0.167 28.294 28.738 -0.463 0.000 0.898 525 Q HN 0.560 nan 8.270 nan 0.000 0.426 526 I N 0.261 120.784 120.570 -0.079 0.000 2.315 526 I HA -0.204 3.965 4.170 -0.001 0.000 0.248 526 I C 2.199 178.332 176.117 0.027 0.000 1.117 526 I CA 1.057 62.358 61.300 0.002 0.000 1.404 526 I CB -0.224 37.813 38.000 0.062 0.000 1.071 526 I HN 0.029 nan 8.210 nan 0.000 0.419 527 A N 0.484 123.312 122.820 0.014 0.000 2.072 527 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 527 A C 0.947 178.548 177.584 0.028 0.000 1.156 527 A CA 0.139 52.193 52.037 0.028 0.000 0.701 527 A CB -0.499 18.513 19.000 0.019 0.000 0.816 527 A HN 0.537 nan 8.150 nan 0.000 0.458 528 E N 0.679 120.892 120.200 0.020 0.000 2.115 528 E HA 0.225 4.574 4.350 -0.001 0.000 0.282 528 E C -0.606 176.017 176.600 0.039 0.000 0.987 528 E CA -0.753 55.662 56.400 0.026 0.000 0.797 528 E CB 0.094 29.804 29.700 0.017 0.000 1.086 528 E HN 0.359 nan 8.360 nan 0.000 0.397 529 N N 2.753 121.480 118.700 0.044 0.000 2.332 529 N HA -0.025 4.715 4.740 -0.001 0.000 0.274 529 N C -0.835 174.697 175.510 0.037 0.000 1.351 529 N CA 0.169 53.249 53.050 0.050 0.000 0.875 529 N CB 0.204 38.717 38.487 0.043 0.000 1.140 529 N HN 0.582 nan 8.380 nan 0.000 0.489 530 L N 2.577 123.823 121.223 0.038 0.000 2.502 530 L HA 0.610 4.950 4.340 -0.001 0.000 0.249 530 L C 1.119 177.992 176.870 0.004 0.000 1.446 530 L CA -0.006 54.847 54.840 0.023 0.000 0.887 530 L CB -0.102 41.974 42.059 0.028 0.000 1.126 530 L HN 0.901 nan 8.230 nan 0.000 0.509 531 G N 0.182 108.978 108.800 -0.006 0.000 2.574 531 G HA2 0.117 4.077 3.960 -0.001 0.000 0.286 531 G HA3 0.117 4.077 3.960 -0.001 0.000 0.286 531 G C 0.544 175.404 174.900 -0.066 0.000 1.212 531 G CA 1.750 46.834 45.100 -0.028 0.000 0.979 531 G HN 2.194 nan 8.290 nan 0.000 0.557 532 E N -1.424 118.729 120.200 -0.078 0.000 2.576 532 E HA 0.266 4.616 4.350 -0.001 0.000 0.214 532 E C 1.946 178.490 176.600 -0.093 0.000 0.859 532 E CA 1.215 57.537 56.400 -0.130 0.000 1.399 532 E CB -0.211 29.415 29.700 -0.124 0.000 1.374 532 E HN 0.709 nan 8.360 nan 0.000 0.718 533 E N 0.689 120.860 120.200 -0.048 0.000 2.072 533 E HA -0.120 4.229 4.350 -0.001 0.000 0.190 533 E C 1.420 178.019 176.600 -0.001 0.000 0.982 533 E CA 1.466 57.855 56.400 -0.018 0.000 0.803 533 E CB -0.074 29.616 29.700 -0.017 0.000 0.755 533 E HN 0.447 nan 8.360 nan 0.000 0.453 534 E N 0.877 121.074 120.200 -0.004 0.000 2.489 534 E HA -0.005 4.345 4.350 -0.001 0.000 0.193 534 E C 1.817 178.438 176.600 0.035 0.000 1.057 534 E CA 0.066 56.478 56.400 0.020 0.000 0.866 534 E CB 0.081 29.796 29.700 0.024 0.000 0.916 534 E HN 0.226 nan 8.360 nan 0.000 0.500 535 Q N -0.364 119.428 119.800 -0.013 0.000 2.135 535 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 535 Q C 1.877 177.965 176.000 0.147 0.000 0.981 535 Q CA 1.224 57.010 55.803 -0.028 0.000 0.856 535 Q CB -0.105 28.355 28.738 -0.462 0.000 0.902 535 Q HN 0.315 nan 8.270 nan 0.000 0.425 536 L N 0.112 121.409 121.223 0.122 0.000 1.994 536 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 536 L C 2.171 179.121 176.870 0.132 0.000 1.071 536 L CA 1.552 56.493 54.840 0.168 0.000 0.745 536 L CB -0.743 41.374 42.059 0.097 0.000 0.892 536 L HN -0.037 nan 8.230 nan 0.000 0.431 537 V N -0.087 119.877 119.914 0.083 0.000 2.324 537 V HA -0.372 3.748 4.120 -0.001 0.000 0.250 537 V C 2.637 178.786 176.094 0.091 0.000 1.060 537 V CA 2.166 64.513 62.300 0.078 0.000 1.042 537 V CB -0.875 30.990 31.823 0.069 0.000 0.650 537 V HN 0.584 nan 8.190 nan 0.000 0.450 538 Q N -0.013 119.850 119.800 0.104 0.000 2.061 538 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 538 Q C 2.428 178.479 176.000 0.085 0.000 0.984 538 Q CA 1.866 57.725 55.803 0.095 0.000 0.846 538 Q CB -0.616 28.212 28.738 0.151 0.000 0.902 538 Q HN 0.740 nan 8.270 nan 0.000 0.421 539 G N 0.793 109.686 108.800 0.154 0.000 2.418 539 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.217 539 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.217 539 G C 1.400 176.345 174.900 0.074 0.000 1.158 539 G CA 0.526 45.678 45.100 0.087 0.000 0.771 539 G HN 0.176 nan 8.290 nan 0.000 0.545 540 L N -0.052 121.250 121.223 0.132 0.000 2.093 540 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 540 L C 3.031 179.974 176.870 0.121 0.000 1.085 540 L CA 0.498 55.434 54.840 0.160 0.000 0.755 540 L CB -0.422 41.720 42.059 0.139 0.000 0.904 540 L HN 0.246 nan 8.230 nan 0.000 0.435 541 C N -0.284 119.071 119.300 0.092 0.000 2.413 541 C HA -0.196 4.263 4.460 -0.001 0.000 0.276 541 C C 3.153 178.202 174.990 0.097 0.000 1.236 541 C CA 0.776 59.845 59.018 0.085 0.000 1.735 541 C CB -1.058 26.693 27.740 0.019 0.000 2.031 541 C HN 0.634 nan 8.230 nan 0.000 0.474 542 A N 0.172 123.018 122.820 0.042 0.000 1.892 542 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 542 A C 2.047 179.666 177.584 0.059 0.000 1.188 542 A CA 2.000 54.030 52.037 -0.011 0.000 0.631 542 A CB -0.820 17.895 19.000 -0.474 0.000 0.822 542 A HN 0.491 nan 8.150 nan 0.000 0.447 543 L N -0.968 120.272 121.223 0.029 0.000 2.012 543 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 543 L C 2.278 179.228 176.870 0.134 0.000 1.073 543 L CA 2.087 56.980 54.840 0.088 0.000 0.748 543 L CB -0.710 41.430 42.059 0.134 0.000 0.891 543 L HN 0.370 nan 8.230 nan 0.000 0.431 544 L N -1.177 120.118 121.223 0.119 0.000 1.994 544 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 544 L C 2.373 179.287 176.870 0.073 0.000 1.071 544 L CA 1.819 56.693 54.840 0.057 0.000 0.745 544 L CB -1.097 40.967 42.059 0.009 0.000 0.892 544 L HN 0.365 nan 8.230 nan 0.000 0.431 545 L N -0.053 121.256 121.223 0.143 0.000 2.013 545 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 545 L C 2.362 179.327 176.870 0.158 0.000 1.073 545 L CA 2.244 57.177 54.840 0.154 0.000 0.753 545 L CB -1.547 40.625 42.059 0.187 0.000 0.890 545 L HN 0.348 nan 8.230 nan 0.000 0.432 546 G N -0.480 108.485 108.800 0.274 0.000 2.440 546 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.218 546 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.218 546 G C 1.668 176.681 174.900 0.190 0.000 1.154 546 G CA 1.226 46.481 45.100 0.258 0.000 0.767 546 G HN 0.498 nan 8.290 nan 0.000 0.552 547 I N 1.046 121.737 120.570 0.203 0.000 2.286 547 I HA -0.171 3.999 4.170 -0.001 0.000 0.248 547 I C 2.950 179.240 176.117 0.288 0.000 1.115 547 I CA 1.044 62.530 61.300 0.309 0.000 1.392 547 I CB -0.155 38.014 38.000 0.282 0.000 1.065 547 I HN 0.083 nan 8.210 nan 0.000 0.418 548 S N 0.728 116.523 115.700 0.158 0.000 2.402 548 S HA -0.163 4.307 4.470 -0.001 0.000 0.233 548 S C 1.906 176.580 174.600 0.123 0.000 1.030 548 S CA 1.394 59.673 58.200 0.132 0.000 1.003 548 S CB -0.294 62.969 63.200 0.105 0.000 0.813 548 S HN 0.390 nan 8.310 nan 0.000 0.477 549 I N -1.018 119.614 120.570 0.103 0.000 2.429 549 I HA -0.045 4.125 4.170 -0.001 0.000 0.247 549 I C 2.169 178.317 176.117 0.052 0.000 1.099 549 I CA 0.887 62.222 61.300 0.058 0.000 1.422 549 I CB -0.335 37.675 38.000 0.015 0.000 1.112 549 I HN 0.207 nan 8.210 nan 0.000 0.430 550 Y N 1.281 121.527 120.300 -0.089 0.000 2.200 550 Y HA -0.164 4.385 4.550 -0.001 0.000 0.290 550 Y C 1.732 177.398 175.900 -0.389 0.000 1.137 550 Y CA 1.662 59.590 58.100 -0.287 0.000 1.163 550 Y CB -0.150 38.046 38.460 -0.441 0.000 0.988 550 Y HN -0.001 nan 8.280 nan 0.000 0.518 551 F N -0.148 119.859 119.950 0.095 0.000 2.660 551 F HA 0.132 4.660 4.527 0.000 0.000 0.302 551 F C 0.657 176.463 175.800 0.009 0.000 1.103 551 F CA -0.320 57.692 58.000 0.021 0.000 1.340 551 F CB -0.331 38.727 39.000 0.095 0.000 1.048 551 F HN -0.082 nan 8.300 nan 0.000 0.551 552 N N 1.976 120.738 118.700 0.103 0.000 2.475 552 N HA -0.052 4.688 4.740 -0.001 0.000 0.267 552 N C 0.305 175.841 175.510 0.044 0.000 1.169 552 N CA 0.302 53.402 53.050 0.085 0.000 0.947 552 N CB 0.727 39.252 38.487 0.063 0.000 1.061 552 N HN 0.220 nan 8.380 nan 0.000 0.466 553 D N 1.960 122.398 120.400 0.063 0.000 2.342 553 D HA 0.065 4.705 4.640 -0.001 0.000 0.221 553 D C -0.112 176.208 176.300 0.034 0.000 1.101 553 D CA -0.199 53.825 54.000 0.040 0.000 0.837 553 D CB -0.258 40.573 40.800 0.051 0.000 0.938 553 D HN 0.388 nan 8.370 nan 0.000 0.508 554 N N -0.456 118.268 118.700 0.041 0.000 2.778 554 N HA -0.233 4.507 4.740 -0.001 0.000 0.249 554 N C 0.994 176.527 175.510 0.038 0.000 1.069 554 N CA 1.175 54.247 53.050 0.036 0.000 0.831 554 N CB -1.743 36.755 38.487 0.018 0.000 1.142 554 N HN 0.490 nan 8.380 nan 0.000 0.573 555 S N -1.347 114.381 115.700 0.047 0.000 2.470 555 S HA 0.073 4.543 4.470 -0.001 0.000 0.225 555 S C 0.687 175.315 174.600 0.047 0.000 1.006 555 S CA -0.025 58.201 58.200 0.042 0.000 0.934 555 S CB 0.336 63.562 63.200 0.044 0.000 0.778 555 S HN 0.280 nan 8.310 nan 0.000 0.517 556 L N 2.345 123.607 121.223 0.065 0.000 2.261 556 L HA 0.577 4.917 4.340 -0.001 0.000 0.289 556 L C 1.244 178.142 176.870 0.047 0.000 1.059 556 L CA 0.526 55.409 54.840 0.072 0.000 0.816 556 L CB 0.597 42.726 42.059 0.117 0.000 1.191 556 L HN 0.325 nan 8.230 nan 0.000 0.431 557 E N 1.795 122.004 120.200 0.016 0.000 2.268 557 E HA -0.155 4.195 4.350 -0.001 0.000 0.195 557 E C 1.875 178.444 176.600 -0.052 0.000 0.995 557 E CA 1.197 57.590 56.400 -0.011 0.000 0.836 557 E CB -0.509 29.180 29.700 -0.018 0.000 0.763 557 E HN 0.893 nan 8.360 nan 0.000 0.491 558 S N -1.447 114.200 115.700 -0.090 0.000 2.387 558 S HA 0.021 4.491 4.470 -0.001 0.000 0.226 558 S C 0.691 175.070 174.600 -0.369 0.000 1.026 558 S CA 0.639 58.691 58.200 -0.247 0.000 0.972 558 S CB -0.354 62.663 63.200 -0.305 0.000 0.814 558 S HN 0.568 nan 8.310 nan 0.000 0.477 559 Y N 1.479 121.778 120.300 -0.001 0.000 2.681 559 Y HA 0.507 5.056 4.550 -0.001 0.000 0.347 559 Y C 0.137 176.046 175.900 0.016 0.000 1.029 559 Y CA -0.995 57.109 58.100 0.007 0.000 1.279 559 Y CB 0.786 39.258 38.460 0.020 0.000 1.096 559 Y HN 0.132 nan 8.280 nan 0.000 0.580 560 M N 1.016 120.701 119.600 0.141 0.000 2.369 560 M HA 0.292 4.772 4.480 -0.001 0.000 0.291 560 M C 1.358 177.701 176.300 0.070 0.000 1.178 560 M CA -0.536 54.815 55.300 0.086 0.000 0.996 560 M CB 1.263 33.889 32.600 0.043 0.000 1.472 560 M HN 0.511 nan 8.290 nan 0.000 0.496 561 K N 0.540 120.961 120.400 0.036 0.000 2.020 561 K HA -0.233 4.087 4.320 -0.001 0.000 0.212 561 K C 1.795 178.391 176.600 -0.006 0.000 1.050 561 K CA 2.054 58.347 56.287 0.010 0.000 0.929 561 K CB -0.053 32.442 32.500 -0.009 0.000 0.714 561 K HN 0.495 nan 8.250 nan 0.000 0.443 562 E N 0.953 121.150 120.200 -0.005 0.000 2.152 562 E HA -0.139 4.210 4.350 -0.001 0.000 0.192 562 E C 1.723 178.315 176.600 -0.014 0.000 0.983 562 E CA 1.340 57.730 56.400 -0.017 0.000 0.818 562 E CB 0.090 29.782 29.700 -0.013 0.000 0.758 562 E HN 0.131 nan 8.360 nan 0.000 0.467 563 K N -0.388 120.020 120.400 0.012 0.000 2.057 563 K HA -0.116 4.203 4.320 -0.001 0.000 0.206 563 K C 1.791 178.414 176.600 0.039 0.000 1.050 563 K CA 0.957 57.264 56.287 0.033 0.000 0.935 563 K CB -0.090 32.447 32.500 0.061 0.000 0.715 563 K HN 0.137 nan 8.250 nan 0.000 0.439 564 L N 1.873 123.117 121.223 0.036 0.000 2.083 564 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 564 L C 1.993 178.797 176.870 -0.109 0.000 1.083 564 L CA 1.699 56.526 54.840 -0.022 0.000 0.752 564 L CB -0.524 41.519 42.059 -0.027 0.000 0.899 564 L HN 0.150 nan 8.230 nan 0.000 0.433 565 K N -0.963 119.368 120.400 -0.114 0.000 2.025 565 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 565 K C 1.965 178.470 176.600 -0.159 0.000 1.049 565 K CA 1.238 57.418 56.287 -0.179 0.000 0.933 565 K CB -0.161 32.247 32.500 -0.154 0.000 0.714 565 K HN 0.436 nan 8.250 nan 0.000 0.438 566 Q N 0.677 120.420 119.800 -0.095 0.000 2.181 566 Q HA -0.108 4.232 4.340 -0.001 0.000 0.205 566 Q C 2.170 178.133 176.000 -0.062 0.000 0.980 566 Q CA 0.857 56.618 55.803 -0.069 0.000 0.862 566 Q CB -0.045 28.671 28.738 -0.037 0.000 0.905 566 Q HN 0.243 nan 8.270 nan 0.000 0.429 567 L N 0.421 121.611 121.223 -0.054 0.000 2.012 567 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 567 L C 2.266 179.081 176.870 -0.091 0.000 1.073 567 L CA 1.636 56.448 54.840 -0.046 0.000 0.748 567 L CB -0.653 41.392 42.059 -0.024 0.000 0.891 567 L HN 0.338 nan 8.230 nan 0.000 0.431 568 I N -0.622 119.845 120.570 -0.171 0.000 2.142 568 I HA -0.287 3.882 4.170 -0.001 0.000 0.240 568 I C 2.639 178.667 176.117 -0.147 0.000 1.078 568 I CA 1.017 62.178 61.300 -0.232 0.000 1.343 568 I CB -0.301 37.398 38.000 -0.501 0.000 1.046 568 I HN 0.248 nan 8.210 nan 0.000 0.405 569 E N 1.270 121.384 120.200 -0.144 0.000 2.033 569 E HA -0.294 4.055 4.350 -0.001 0.000 0.199 569 E C 2.097 178.667 176.600 -0.050 0.000 1.011 569 E CA 1.620 57.964 56.400 -0.093 0.000 0.815 569 E CB -0.269 29.378 29.700 -0.089 0.000 0.755 569 E HN 0.345 nan 8.360 nan 0.000 0.451 570 K N -0.000 120.373 120.400 -0.044 0.000 2.057 570 K HA -0.106 4.214 4.320 -0.001 0.000 0.206 570 K C 2.056 178.648 176.600 -0.014 0.000 1.050 570 K CA 0.873 57.147 56.287 -0.022 0.000 0.935 570 K CB 0.067 32.557 32.500 -0.016 0.000 0.715 570 K HN -0.055 nan 8.250 nan 0.000 0.439 571 R N -0.080 120.409 120.500 -0.019 0.000 2.161 571 R HA 0.118 4.458 4.340 -0.001 0.000 0.213 571 R C 2.072 178.374 176.300 0.002 0.000 1.055 571 R CA 0.856 56.951 56.100 -0.007 0.000 0.996 571 R CB 0.161 30.455 30.300 -0.010 0.000 0.901 571 R HN 0.352 nan 8.270 nan 0.000 0.456 572 I N -1.975 118.595 120.570 -0.000 0.000 4.228 572 I HA 0.219 4.389 4.170 -0.001 0.000 0.298 572 I C 0.313 176.450 176.117 0.034 0.000 1.206 572 I CA 0.345 61.663 61.300 0.029 0.000 1.322 572 I CB 0.580 38.618 38.000 0.064 0.000 1.411 572 I HN 0.129 nan 8.210 nan 0.000 0.454 573 G N 2.666 111.474 108.800 0.013 0.000 3.209 573 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.686 573 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.686 573 G C -0.032 174.894 174.900 0.044 0.000 1.065 573 G CA -0.379 44.733 45.100 0.020 0.000 0.812 573 G HN 0.153 nan 8.290 nan 0.000 0.573 574 K N 0.996 121.400 120.400 0.007 0.000 2.057 574 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 574 K C 2.318 179.007 176.600 0.148 0.000 1.049 574 K CA 2.107 58.397 56.287 0.005 0.000 0.931 574 K CB -0.026 32.368 32.500 -0.176 0.000 0.714 574 K HN 0.632 nan 8.250 nan 0.000 0.440 575 E N 0.514 120.797 120.200 0.139 0.000 2.077 575 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 575 E C 1.626 178.270 176.600 0.073 0.000 0.989 575 E CA 1.100 57.578 56.400 0.130 0.000 0.800 575 E CB -0.260 29.500 29.700 0.098 0.000 0.746 575 E HN 0.304 nan 8.360 nan 0.000 0.452 576 N N -0.614 118.125 118.700 0.065 0.000 2.166 576 N HA -0.176 4.564 4.740 -0.001 0.000 0.186 576 N C 1.722 177.237 175.510 0.009 0.000 1.019 576 N CA 0.769 53.837 53.050 0.029 0.000 0.856 576 N CB -0.111 38.403 38.487 0.045 0.000 0.993 576 N HN 0.123 nan 8.380 nan 0.000 0.426 577 F N 1.782 121.690 119.950 -0.070 0.000 2.069 577 F HA -0.091 4.435 4.527 -0.001 0.000 0.298 577 F C 2.037 177.771 175.800 -0.110 0.000 1.113 577 F CA 1.234 59.182 58.000 -0.086 0.000 1.214 577 F CB -0.355 38.600 39.000 -0.075 0.000 0.978 577 F HN -0.023 nan 8.300 nan 0.000 0.474 578 I N 0.476 121.004 120.570 -0.071 0.000 2.567 578 I HA -0.243 3.926 4.170 -0.001 0.000 0.257 578 I C 2.358 178.309 176.117 -0.277 0.000 1.184 578 I CA 1.619 62.815 61.300 -0.174 0.000 1.451 578 I CB -0.486 37.553 38.000 0.066 0.000 1.089 578 I HN 0.356 nan 8.210 nan 0.000 0.441 579 E N 1.137 121.165 120.200 -0.287 0.000 2.112 579 E HA -0.221 4.129 4.350 -0.001 0.000 0.190 579 E C 2.090 178.159 176.600 -0.885 0.000 0.979 579 E CA 1.067 57.221 56.400 -0.411 0.000 0.814 579 E CB 0.118 29.658 29.700 -0.266 0.000 0.762 579 E HN 0.280 nan 8.360 nan 0.000 0.460 580 K N 0.208 120.085 120.400 -0.872 0.000 2.097 580 K HA -0.096 4.223 4.320 -0.001 0.000 0.205 580 K C 2.038 178.242 176.600 -0.660 0.000 1.050 580 K CA 1.003 56.667 56.287 -1.038 0.000 0.938 580 K CB -0.196 32.030 32.500 -0.456 0.000 0.718 580 K HN 0.125 nan 8.250 nan 0.000 0.442 581 L N 0.401 121.275 121.223 -0.581 0.000 2.079 581 L HA -0.080 4.260 4.340 -0.001 0.000 0.210 581 L C 1.936 178.644 176.870 -0.271 0.000 1.081 581 L CA 2.056 56.648 54.840 -0.414 0.000 0.752 581 L CB -0.923 40.820 42.059 -0.528 0.000 0.896 581 L HN 0.218 nan 8.230 nan 0.000 0.433 582 G N -1.639 106.968 108.800 -0.323 0.000 2.484 582 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 582 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 582 G C 1.256 176.140 174.900 -0.027 0.000 1.130 582 G CA 0.382 45.367 45.100 -0.192 0.000 0.784 582 G HN 0.380 nan 8.290 nan 0.000 0.543 583 F N 1.218 121.138 119.950 -0.049 0.000 2.307 583 F HA 0.002 4.528 4.527 -0.001 0.000 0.301 583 F C 2.454 178.294 175.800 0.066 0.000 1.076 583 F CA -0.209 57.798 58.000 0.012 0.000 1.383 583 F CB -0.540 38.482 39.000 0.036 0.000 1.055 583 F HN 0.154 nan 8.300 nan 0.000 0.526 584 I N -0.221 120.473 120.570 0.206 0.000 2.110 584 I HA -0.298 3.871 4.170 -0.001 0.000 0.236 584 I C 2.581 178.611 176.117 -0.145 0.000 1.068 584 I CA 1.611 63.027 61.300 0.194 0.000 1.333 584 I CB -1.016 37.087 38.000 0.172 0.000 1.054 584 I HN 0.079 nan 8.210 nan 0.000 0.402 585 S N 1.051 116.440 115.700 -0.517 0.000 2.402 585 S HA -0.226 4.244 4.470 -0.001 0.000 0.233 585 S C 1.829 176.144 174.600 -0.474 0.000 1.030 585 S CA 1.271 58.842 58.200 -1.049 0.000 1.003 585 S CB -0.573 62.255 63.200 -0.621 0.000 0.813 585 S HN 0.425 nan 8.310 nan 0.000 0.477 586 K N 0.367 120.689 120.400 -0.130 0.000 2.459 586 K HA 0.088 4.408 4.320 -0.001 0.000 0.193 586 K C 0.734 177.390 176.600 0.095 0.000 1.030 586 K CA -0.017 56.279 56.287 0.016 0.000 1.026 586 K CB -0.104 32.440 32.500 0.073 0.000 0.809 586 K HN 0.539 nan 8.250 nan 0.000 0.504 587 H N 2.640 121.770 119.070 0.101 0.000 2.928 587 H HA -0.064 4.492 4.556 -0.000 0.000 0.338 587 H C 1.089 176.534 175.328 0.196 0.000 1.047 587 H CA 0.630 56.805 56.048 0.213 0.000 1.435 587 H CB 1.022 31.070 29.762 0.476 0.000 1.428 587 H HN 0.253 nan 8.280 nan 0.000 0.590 588 E N 5.037 125.141 120.200 -0.159 0.000 2.233 588 E HA -0.206 4.144 4.350 -0.001 0.000 0.199 588 E C 1.488 178.238 176.600 0.250 0.000 1.004 588 E CA 1.262 57.683 56.400 0.035 0.000 0.819 588 E CB -0.252 29.428 29.700 -0.032 0.000 0.738 588 E HN 0.676 nan 8.360 nan 0.000 0.478 589 L N -0.379 121.191 121.223 0.578 0.000 2.592 589 L HA 0.121 4.460 4.340 -0.001 0.000 0.227 589 L C 2.228 179.289 176.870 0.318 0.000 1.127 589 L CA -0.052 55.102 54.840 0.523 0.000 0.884 589 L CB -0.374 42.104 42.059 0.699 0.000 1.065 589 L HN -0.008 nan 8.230 nan 0.000 0.457 590 Y N 0.620 120.916 120.300 -0.006 0.000 2.163 590 Y HA -0.259 4.291 4.550 -0.001 0.000 0.288 590 Y C 2.725 178.499 175.900 -0.211 0.000 1.136 590 Y CA 1.805 59.600 58.100 -0.508 0.000 1.147 590 Y CB -0.027 38.131 38.460 -0.504 0.000 0.987 590 Y HN 0.060 nan 8.280 nan 0.000 0.509 591 S N 0.375 116.095 115.700 0.033 0.000 2.369 591 S HA -0.306 4.163 4.470 -0.001 0.000 0.225 591 S C 2.121 176.678 174.600 -0.071 0.000 1.043 591 S CA 1.845 60.037 58.200 -0.013 0.000 1.074 591 S CB -0.487 62.752 63.200 0.064 0.000 0.962 591 S HN 0.492 nan 8.310 nan 0.000 0.433 592 R N 0.720 121.214 120.500 -0.011 0.000 2.091 592 R HA -0.117 4.223 4.340 -0.001 0.000 0.238 592 R C 2.408 178.695 176.300 -0.022 0.000 1.136 592 R CA 1.369 57.465 56.100 -0.006 0.000 0.959 592 R CB -0.544 29.775 30.300 0.032 0.000 0.856 592 R HN 0.401 nan 8.270 nan 0.000 0.437 593 A N 0.257 123.067 122.820 -0.016 0.000 1.948 593 A HA -0.213 4.106 4.320 -0.001 0.000 0.220 593 A C 2.068 179.651 177.584 -0.002 0.000 1.177 593 A CA 2.154 54.206 52.037 0.025 0.000 0.636 593 A CB -0.620 18.424 19.000 0.073 0.000 0.815 593 A HN 0.587 nan 8.150 nan 0.000 0.449 594 S N -1.296 114.301 115.700 -0.171 0.000 2.558 594 S HA -0.022 4.447 4.470 -0.001 0.000 0.217 594 S C 1.697 176.305 174.600 0.013 0.000 0.975 594 S CA 0.777 58.842 58.200 -0.225 0.000 0.912 594 S CB -0.215 62.733 63.200 -0.420 0.000 0.776 594 S HN 0.674 nan 8.310 nan 0.000 0.526 595 Q N 0.897 120.728 119.800 0.051 0.000 1.990 595 Q HA 0.162 4.501 4.340 -0.001 0.000 0.200 595 Q C 0.266 176.299 176.000 0.056 0.000 0.980 595 Q CA 1.018 56.848 55.803 0.045 0.000 0.832 595 Q CB 0.056 28.786 28.738 -0.013 0.000 0.897 595 Q HN 0.483 nan 8.270 nan 0.000 0.427 596 K N -0.998 119.374 120.400 -0.047 0.000 2.443 596 K HA 0.233 4.553 4.320 -0.001 0.000 0.251 596 K C -2.303 173.916 176.600 -0.634 0.000 0.972 596 K CA -1.853 54.261 56.287 -0.288 0.000 0.833 596 K CB 1.927 34.300 32.500 -0.211 0.000 1.317 596 K HN -0.264 nan 8.250 nan 0.000 0.441 597 P HA -0.110 nan 4.420 nan 0.000 0.229 597 P C -0.477 176.567 177.300 -0.427 0.000 1.160 597 P CA 0.612 63.351 63.100 -0.600 0.000 0.777 597 P CB 0.359 31.860 31.700 -0.332 0.000 0.814 598 Q N 1.123 120.555 119.800 -0.613 0.000 2.304 598 Q HA 0.172 4.512 4.340 -0.001 0.000 0.260 598 Q C -2.159 173.455 176.000 -0.643 0.000 0.965 598 Q CA -2.182 52.997 55.803 -1.039 0.000 0.898 598 Q CB 0.197 28.430 28.738 -0.842 0.000 1.196 598 Q HN -0.012 nan 8.270 nan 0.000 0.402 599 P HA -0.065 nan 4.420 nan 0.000 0.256 599 P C -0.602 176.261 177.300 -0.729 0.000 1.189 599 P CA 0.588 63.343 63.100 -0.574 0.000 0.808 599 P CB 0.124 31.707 31.700 -0.195 0.000 0.793 600 N N 3.270 121.419 118.700 -0.917 0.000 2.422 600 N HA -0.029 4.711 4.740 -0.001 0.000 0.181 600 N C -0.071 175.201 175.510 -0.397 0.000 1.080 600 N CA -0.101 52.615 53.050 -0.557 0.000 0.893 600 N CB -0.293 37.973 38.487 -0.368 0.000 0.973 600 N HN 0.092 nan 8.380 nan 0.000 0.456 601 F N 0.868 120.827 119.950 0.015 0.000 2.548 601 F HA 0.081 4.608 4.527 -0.001 0.000 0.403 601 F C -1.275 174.593 175.800 0.114 0.000 1.004 601 F CA -1.619 56.441 58.000 0.099 0.000 1.177 601 F CB -0.366 38.797 39.000 0.272 0.000 0.974 601 F HN 0.104 nan 8.300 nan 0.000 0.541 602 P HA -0.040 nan 4.420 nan 0.000 0.221 602 P C -0.103 177.298 177.300 0.169 0.000 1.150 602 P CA 1.269 64.356 63.100 -0.022 0.000 0.800 602 P CB 0.291 31.750 31.700 -0.402 0.000 0.787 603 S N -4.767 111.101 115.700 0.281 0.000 2.587 603 S HA 0.408 4.878 4.470 -0.001 0.000 0.269 603 S C -2.675 171.699 174.600 -0.377 0.000 1.154 603 S CA -1.339 56.872 58.200 0.018 0.000 0.824 603 S CB 1.314 64.574 63.200 0.100 0.000 1.118 603 S HN -0.324 nan 8.310 nan 0.000 0.462 604 P HA -0.078 nan 4.420 nan 0.000 0.217 604 P C 1.206 178.186 177.300 -0.534 0.000 1.148 604 P CA 1.357 63.792 63.100 -1.107 0.000 0.828 604 P CB 0.056 31.257 31.700 -0.831 0.000 0.783 605 E N -1.568 118.401 120.200 -0.386 0.000 2.204 605 E HA -0.198 4.152 4.350 -0.001 0.000 0.195 605 E C 0.931 177.279 176.600 -0.420 0.000 0.990 605 E CA 0.912 57.076 56.400 -0.392 0.000 0.821 605 E CB -0.303 29.138 29.700 -0.432 0.000 0.750 605 E HN 0.347 nan 8.360 nan 0.000 0.477 606 Y N -0.498 119.678 120.300 -0.207 0.000 2.466 606 Y HA 0.135 4.684 4.550 -0.001 0.000 0.272 606 Y C 0.946 176.649 175.900 -0.328 0.000 1.169 606 Y CA -0.062 57.987 58.100 -0.084 0.000 1.285 606 Y CB 0.178 38.718 38.460 0.133 0.000 1.078 606 Y HN 0.028 nan 8.280 nan 0.000 0.523 607 M N 1.309 120.483 119.600 -0.710 0.000 2.821 607 M HA 0.136 4.615 4.480 -0.001 0.000 0.305 607 M C -0.282 175.179 176.300 -1.399 0.000 1.466 607 M CA 0.706 54.943 55.300 -1.771 0.000 1.526 607 M CB -0.341 31.348 32.600 -1.519 0.000 1.321 607 M HN 0.282 nan 8.290 nan 0.000 0.492 608 I N 1.889 121.988 120.570 -0.785 0.000 3.746 608 I HA 0.218 4.387 4.170 -0.001 0.000 0.262 608 I C -0.225 175.902 176.117 0.017 0.000 1.153 608 I CA 0.012 61.069 61.300 -0.404 0.000 1.395 608 I CB 0.420 38.193 38.000 -0.379 0.000 1.589 608 I HN 0.384 nan 8.210 nan 0.000 0.441 609 F N 1.462 121.649 119.950 0.394 0.000 2.425 609 F HA 0.324 4.851 4.527 0.000 0.000 0.331 609 F C 0.013 176.257 175.800 0.739 0.000 1.085 609 F CA -0.656 57.661 58.000 0.529 0.000 1.028 609 F CB 0.987 40.221 39.000 0.391 0.000 1.177 609 F HN -0.082 nan 8.300 nan 0.000 0.487 610 D N 0.156 121.046 120.400 0.817 0.000 2.217 610 D HA 0.175 4.815 4.640 -0.001 0.000 0.243 610 D C 0.953 177.550 176.300 0.495 0.000 1.054 610 D CA -0.246 54.152 54.000 0.663 0.000 0.838 610 D CB 0.816 41.876 40.800 0.433 0.000 1.162 610 D HN 0.596 nan 8.370 nan 0.000 0.472 611 H N 2.701 121.947 119.070 0.294 0.000 2.272 611 H HA -0.226 4.329 4.556 -0.001 0.000 0.289 611 H C 1.228 176.641 175.328 0.141 0.000 1.100 611 H CA 2.418 58.553 56.048 0.145 0.000 1.209 611 H CB 0.434 30.241 29.762 0.076 0.000 1.348 611 H HN 0.465 nan 8.280 nan 0.000 0.481 612 E N -0.512 119.830 120.200 0.236 0.000 2.204 612 E HA -0.154 4.196 4.350 -0.001 0.000 0.195 612 E C 2.151 178.799 176.600 0.081 0.000 0.990 612 E CA 0.804 57.265 56.400 0.102 0.000 0.821 612 E CB -0.512 29.239 29.700 0.085 0.000 0.750 612 E HN 0.538 nan 8.360 nan 0.000 0.477 613 F N 2.058 122.047 119.950 0.065 0.000 2.186 613 F HA -0.205 4.323 4.527 0.001 0.000 0.299 613 F C 2.517 178.369 175.800 0.086 0.000 1.090 613 F CA 2.037 60.095 58.000 0.098 0.000 1.307 613 F CB -0.572 38.538 39.000 0.183 0.000 1.019 613 F HN 0.039 nan 8.300 nan 0.000 0.489 614 T N -1.646 112.871 114.554 -0.062 0.000 2.803 614 T HA -0.232 4.117 4.350 -0.001 0.000 0.269 614 T C 1.871 176.430 174.700 -0.234 0.000 1.052 614 T CA 1.593 63.526 62.100 -0.278 0.000 1.136 614 T CB -0.621 67.850 68.868 -0.663 0.000 0.864 614 T HN 0.371 nan 8.240 nan 0.000 0.467 615 K N 0.609 120.869 120.400 -0.234 0.000 2.217 615 K HA 0.176 4.496 4.320 -0.001 0.000 0.202 615 K C 2.283 178.811 176.600 -0.121 0.000 1.051 615 K CA 0.992 57.185 56.287 -0.157 0.000 0.952 615 K CB -0.306 32.116 32.500 -0.131 0.000 0.736 615 K HN 0.382 nan 8.250 nan 0.000 0.453 616 L N 0.760 121.880 121.223 -0.171 0.000 2.095 616 L HA -0.106 4.234 4.340 -0.001 0.000 0.204 616 L C 2.077 178.826 176.870 -0.201 0.000 1.080 616 L CA 0.734 55.484 54.840 -0.150 0.000 0.759 616 L CB -0.065 41.922 42.059 -0.121 0.000 0.914 616 L HN -0.170 nan 8.230 nan 0.000 0.439 617 V N 0.580 120.279 119.914 -0.359 0.000 2.231 617 V HA -0.385 3.734 4.120 -0.001 0.000 0.248 617 V C 2.648 178.676 176.094 -0.111 0.000 1.054 617 V CA 2.451 64.603 62.300 -0.247 0.000 1.015 617 V CB -0.838 30.860 31.823 -0.209 0.000 0.638 617 V HN 0.509 nan 8.190 nan 0.000 0.444 618 K N -0.322 120.052 120.400 -0.043 0.000 2.113 618 K HA -0.290 4.029 4.320 -0.001 0.000 0.208 618 K C 2.274 178.849 176.600 -0.042 0.000 1.047 618 K CA 2.169 58.445 56.287 -0.018 0.000 0.928 618 K CB -0.167 32.339 32.500 0.010 0.000 0.716 618 K HN 0.640 nan 8.250 nan 0.000 0.446 619 E N 0.163 120.334 120.200 -0.049 0.000 2.107 619 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 619 E C 1.843 178.411 176.600 -0.053 0.000 0.982 619 E CA 0.856 57.237 56.400 -0.032 0.000 0.809 619 E CB 0.159 29.852 29.700 -0.012 0.000 0.756 619 E HN 0.335 nan 8.360 nan 0.000 0.459 620 L N -0.173 121.005 121.223 -0.075 0.000 2.470 620 L HA 0.116 4.456 4.340 -0.001 0.000 0.219 620 L C 2.415 179.189 176.870 -0.160 0.000 1.071 620 L CA 0.107 54.871 54.840 -0.126 0.000 0.850 620 L CB -0.104 41.925 42.059 -0.050 0.000 1.040 620 L HN 0.124 nan 8.230 nan 0.000 0.475 621 E N 1.053 121.184 120.200 -0.116 0.000 2.049 621 E HA -0.226 4.124 4.350 -0.001 0.000 0.198 621 E C 2.095 178.635 176.600 -0.100 0.000 1.007 621 E CA 1.650 57.985 56.400 -0.108 0.000 0.809 621 E CB -0.117 29.518 29.700 -0.109 0.000 0.749 621 E HN 0.442 nan 8.360 nan 0.000 0.450 622 G N 0.652 109.397 108.800 -0.092 0.000 2.459 622 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 622 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 622 G C 1.684 176.534 174.900 -0.084 0.000 1.183 622 G CA 1.740 46.797 45.100 -0.071 0.000 0.776 622 G HN 0.364 nan 8.290 nan 0.000 0.552 623 V N -0.733 119.087 119.914 -0.158 0.000 2.427 623 V HA -0.015 4.105 4.120 -0.001 0.000 0.248 623 V C 2.665 178.609 176.094 -0.251 0.000 1.051 623 V CA 1.478 63.648 62.300 -0.215 0.000 1.048 623 V CB -0.568 31.041 31.823 -0.358 0.000 0.666 623 V HN 0.352 nan 8.190 nan 0.000 0.456 624 I N 1.116 121.495 120.570 -0.318 0.000 2.264 624 I HA -0.223 3.946 4.170 -0.001 0.000 0.248 624 I C 2.752 178.896 176.117 0.044 0.000 1.111 624 I CA 2.200 63.413 61.300 -0.145 0.000 1.382 624 I CB -0.595 37.349 38.000 -0.094 0.000 1.060 624 I HN 0.352 nan 8.210 nan 0.000 0.418 625 T N 0.247 114.830 114.554 0.048 0.000 2.737 625 T HA -0.173 4.176 4.350 -0.001 0.000 0.265 625 T C 2.046 176.877 174.700 0.217 0.000 1.038 625 T CA 1.001 63.190 62.100 0.148 0.000 1.144 625 T CB -0.110 68.807 68.868 0.082 0.000 0.866 625 T HN 0.148 nan 8.240 nan 0.000 0.434 626 K N 1.300 121.772 120.400 0.119 0.000 2.063 626 K HA 0.032 4.351 4.320 -0.001 0.000 0.208 626 K C 2.424 179.140 176.600 0.193 0.000 1.048 626 K CA 1.377 57.741 56.287 0.129 0.000 0.928 626 K CB -0.544 31.995 32.500 0.065 0.000 0.713 626 K HN 0.335 nan 8.250 nan 0.000 0.442 627 A N 0.897 123.816 122.820 0.165 0.000 2.121 627 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 627 A C 1.701 179.342 177.584 0.096 0.000 1.154 627 A CA 0.679 52.811 52.037 0.158 0.000 0.679 627 A CB -0.258 18.892 19.000 0.250 0.000 0.795 627 A HN 0.181 nan 8.150 nan 0.000 0.458 628 I N -0.970 119.654 120.570 0.089 0.000 3.444 628 I HA 0.028 4.198 4.170 -0.001 0.000 0.287 628 I C 0.056 175.913 176.117 -0.435 0.000 1.302 628 I CA 0.663 61.861 61.300 -0.170 0.000 1.368 628 I CB -1.666 36.214 38.000 -0.200 0.000 1.048 628 I HN 0.304 nan 8.210 nan 0.000 0.487 629 Y N 0.000 120.305 120.300 0.008 0.000 2.660 629 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 629 Y CA 0.000 58.102 58.100 0.003 0.000 1.940 629 Y CB 0.000 38.464 38.460 0.006 0.000 1.050 629 Y HN 0.000 nan 8.280 nan 0.000 0.758