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 1l5a_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLAQKPFWQ RHLAYPHINL DTVAHSLRLT GPLDTTLLLR ALHLTVSEID DATA SEQUENCE LFRARFSAQG ELYWHPFSPP IDYQDLSIHL EAEPLAWRQI EQDLQRSSTL DATA SEQUENCE IDAPITSHQV YRLSHSEHLI YTRAHHIVLD GYGMMLFEQR LSQHYQSLLS DATA SEQUENCE GQTPTAAFKP YQSYLEEEAA YLTSHRYWQD KQFWQGYLRE APDLTLTSAT DATA SEQUENCE YDPQLSHAVS LSYTLNSQLN HLLLKLANAN QIGWPDALVA LCALYLESAE DATA SEQUENCE PDAPWLWLPF MNRWGSVAAN VPGLMVNSLP LLRLSAQQTS LGNYLKQSGQ DATA SEQUENCE AIRSLYLHGR YRIEQIEQDQ GLNAEQSYFM SPFINILPFE SPHFADCQTE DATA SEQUENCE LKVLASGSAE GINFTFRGSP QHELCLDITA DLASYPQSHW QSHCERFPRF DATA SEQUENCE FEQLLARFQQ VEQDVARLLA EPAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.366 176.300 0.109 0.000 1.140 1 M CA 0.000 55.353 55.300 0.088 0.000 0.988 1 M CB 0.000 32.615 32.600 0.025 0.000 1.302 2 L N 4.118 125.442 121.223 0.169 0.000 2.371 2 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 2 L C 1.215 178.172 176.870 0.145 0.000 1.124 2 L CA -0.599 54.340 54.840 0.166 0.000 0.816 2 L CB 0.945 43.150 42.059 0.244 0.000 1.129 2 L HN 0.833 nan 8.230 nan 0.000 0.448 3 L N 3.942 125.232 121.223 0.111 0.000 2.034 3 L HA -0.281 4.059 4.340 -0.000 0.000 0.217 3 L C 2.418 179.361 176.870 0.121 0.000 1.077 3 L CA 2.459 57.354 54.840 0.092 0.000 0.769 3 L CB -0.603 41.492 42.059 0.061 0.000 0.890 3 L HN 0.819 nan 8.230 nan 0.000 0.435 4 A N -1.648 121.267 122.820 0.158 0.000 2.076 4 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 4 A C 2.131 179.896 177.584 0.301 0.000 1.160 4 A CA 1.857 54.017 52.037 0.204 0.000 0.653 4 A CB -0.484 18.653 19.000 0.228 0.000 0.801 4 A HN 0.742 nan 8.150 nan 0.000 0.455 5 Q N -0.818 119.153 119.800 0.285 0.000 2.302 5 Q HA -0.004 4.336 4.340 -0.000 0.000 0.202 5 Q C 1.698 177.878 176.000 0.301 0.000 0.936 5 Q CA 0.440 56.454 55.803 0.351 0.000 0.886 5 Q CB 0.024 28.916 28.738 0.256 0.000 0.986 5 Q HN 0.477 nan 8.270 nan 0.000 0.487 6 K N 0.986 121.505 120.400 0.198 0.000 2.020 6 K HA -0.158 4.162 4.320 -0.000 0.000 0.212 6 K C -0.782 175.922 176.600 0.174 0.000 1.050 6 K CA 1.551 57.950 56.287 0.186 0.000 0.929 6 K CB -1.535 31.038 32.500 0.122 0.000 0.714 6 K HN 0.241 nan 8.250 nan 0.000 0.443 7 P HA -0.160 nan 4.420 nan 0.000 0.218 7 P C 1.506 178.736 177.300 -0.116 0.000 1.148 7 P CA 1.447 64.490 63.100 -0.095 0.000 0.822 7 P CB -0.217 31.336 31.700 -0.245 0.000 0.784 8 F N -1.281 118.737 119.950 0.115 0.000 2.146 8 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 8 F C 2.856 178.732 175.800 0.127 0.000 1.096 8 F CA 0.896 58.979 58.000 0.138 0.000 1.275 8 F CB -1.131 37.991 39.000 0.203 0.000 1.008 8 F HN -0.017 nan 8.300 nan 0.000 0.480 9 W N 1.483 122.831 121.300 0.080 0.000 2.358 9 W HA -0.236 4.424 4.660 -0.000 0.000 0.303 9 W C 1.914 178.450 176.519 0.028 0.000 1.208 9 W CA 1.783 59.087 57.345 -0.069 0.000 1.274 9 W CB -0.472 28.895 29.460 -0.156 0.000 1.138 9 W HN 0.145 nan 8.180 nan 0.000 0.515 10 Q N 0.198 119.981 119.800 -0.028 0.000 2.046 10 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 10 Q C 2.358 178.298 176.000 -0.100 0.000 0.975 10 Q CA 1.929 57.656 55.803 -0.126 0.000 0.836 10 Q CB -0.407 28.331 28.738 0.001 0.000 0.896 10 Q HN 0.172 nan 8.270 nan 0.000 0.428 11 R N -0.657 119.849 120.500 0.009 0.000 2.133 11 R HA -0.237 4.103 4.340 -0.000 0.000 0.247 11 R C 2.129 178.500 176.300 0.118 0.000 1.151 11 R CA 1.805 57.971 56.100 0.109 0.000 0.971 11 R CB -0.346 30.006 30.300 0.087 0.000 0.866 11 R HN 0.389 nan 8.270 nan 0.000 0.447 12 H N 0.159 119.176 119.070 -0.088 0.000 2.389 12 H HA 0.012 4.568 4.556 -0.000 0.000 0.299 12 H C 1.714 176.878 175.328 -0.274 0.000 1.081 12 H CA 1.346 57.296 56.048 -0.164 0.000 1.345 12 H CB 0.038 29.622 29.762 -0.296 0.000 1.393 12 H HN 0.097 nan 8.280 nan 0.000 0.520 13 L N -0.488 120.483 121.223 -0.420 0.000 2.291 13 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 13 L C 2.414 179.082 176.870 -0.337 0.000 1.120 13 L CA 0.752 55.329 54.840 -0.438 0.000 0.799 13 L CB -0.317 41.473 42.059 -0.448 0.000 0.925 13 L HN 0.422 nan 8.230 nan 0.000 0.446 14 A N -1.249 121.391 122.820 -0.300 0.000 2.081 14 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 14 A C 0.168 177.265 177.584 -0.811 0.000 1.158 14 A CA 0.655 52.389 52.037 -0.505 0.000 0.724 14 A CB 0.008 18.733 19.000 -0.458 0.000 0.826 14 A HN 0.436 nan 8.150 nan 0.000 0.463 15 Y N -1.982 118.226 120.300 -0.153 0.000 2.580 15 Y HA 0.300 4.850 4.550 -0.000 0.000 0.305 15 Y C -2.414 173.353 175.900 -0.222 0.000 1.069 15 Y CA -1.979 56.055 58.100 -0.110 0.000 1.193 15 Y CB 0.356 38.717 38.460 -0.166 0.000 1.126 15 Y HN 0.096 nan 8.280 nan 0.000 0.610 16 P HA -0.196 nan 4.420 nan 0.000 0.216 16 P C 1.447 178.698 177.300 -0.083 0.000 1.153 16 P CA 1.885 64.797 63.100 -0.314 0.000 0.848 16 P CB 0.067 31.612 31.700 -0.258 0.000 0.787 17 H N -1.380 117.631 119.070 -0.097 0.000 2.568 17 H HA 0.143 4.699 4.556 -0.000 0.000 0.275 17 H C 0.540 175.863 175.328 -0.008 0.000 1.028 17 H CA 0.291 56.315 56.048 -0.040 0.000 1.173 17 H CB -0.864 28.878 29.762 -0.033 0.000 1.335 17 H HN 0.213 nan 8.280 nan 0.000 0.614 18 I N 0.307 120.691 120.570 -0.309 0.000 2.656 18 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 18 I C -0.717 175.349 176.117 -0.085 0.000 1.144 18 I CA -0.466 60.695 61.300 -0.232 0.000 1.038 18 I CB 1.657 39.435 38.000 -0.369 0.000 1.244 18 I HN 0.214 nan 8.210 nan 0.000 0.420 19 N N 6.914 125.594 118.700 -0.033 0.000 2.508 19 N HA 0.347 5.087 4.740 -0.000 0.000 0.253 19 N C 0.290 175.783 175.510 -0.028 0.000 1.145 19 N CA -0.265 52.797 53.050 0.020 0.000 0.973 19 N CB 0.311 38.814 38.487 0.026 0.000 1.305 19 N HN 0.671 nan 8.380 nan 0.000 0.506 20 L N -0.581 120.627 121.223 -0.024 0.000 2.162 20 L HA 0.130 4.470 4.340 -0.000 0.000 0.205 20 L C 0.104 176.934 176.870 -0.066 0.000 1.086 20 L CA 0.720 55.518 54.840 -0.069 0.000 0.778 20 L CB 0.394 42.395 42.059 -0.097 0.000 0.928 20 L HN 0.495 nan 8.230 nan 0.000 0.446 21 D N 0.144 120.488 120.400 -0.093 0.000 2.683 21 D HA 0.205 4.845 4.640 -0.000 0.000 0.309 21 D C -0.326 175.715 176.300 -0.432 0.000 1.238 21 D CA 0.119 54.005 54.000 -0.189 0.000 0.936 21 D CB 0.998 41.785 40.800 -0.021 0.000 1.001 21 D HN -0.016 nan 8.370 nan 0.000 0.505 22 T N -0.034 114.395 114.554 -0.207 0.000 2.929 22 T HA 0.504 4.854 4.350 -0.000 0.000 0.284 22 T C 0.228 174.876 174.700 -0.087 0.000 1.014 22 T CA -0.558 61.430 62.100 -0.187 0.000 1.051 22 T CB 2.392 71.206 68.868 -0.090 0.000 1.028 22 T HN -0.129 nan 8.240 nan 0.000 0.485 23 V N 1.610 121.435 119.914 -0.148 0.000 2.482 23 V HA 0.788 4.908 4.120 -0.000 0.000 0.295 23 V C -0.332 175.690 176.094 -0.120 0.000 1.026 23 V CA -0.880 61.349 62.300 -0.119 0.000 0.856 23 V CB 1.086 32.742 31.823 -0.279 0.000 1.001 23 V HN 1.099 nan 8.190 nan 0.000 0.424 24 A N 3.830 126.668 122.820 0.029 0.000 2.398 24 A HA 0.858 5.178 4.320 -0.000 0.000 0.301 24 A C -0.948 176.786 177.584 0.249 0.000 1.041 24 A CA -0.492 51.547 52.037 0.004 0.000 0.711 24 A CB 1.254 20.288 19.000 0.058 0.000 1.240 24 A HN 0.922 nan 8.150 nan 0.000 0.420 25 H N 0.614 119.627 119.070 -0.095 0.000 2.747 25 H HA 0.681 5.237 4.556 -0.000 0.000 0.371 25 H C -0.451 174.934 175.328 0.094 0.000 1.161 25 H CA -0.528 55.543 56.048 0.039 0.000 1.167 25 H CB 2.319 32.114 29.762 0.055 0.000 1.732 25 H HN 0.784 nan 8.280 nan 0.000 0.544 26 S N 2.679 118.543 115.700 0.273 0.000 2.521 26 S HA 0.552 5.022 4.470 -0.000 0.000 0.295 26 S C -0.998 173.736 174.600 0.223 0.000 1.098 26 S CA -0.935 57.420 58.200 0.258 0.000 0.999 26 S CB 1.269 64.631 63.200 0.269 0.000 1.034 26 S HN 0.408 nan 8.310 nan 0.000 0.483 27 L N 2.716 124.053 121.223 0.190 0.000 2.333 27 L HA 0.617 4.957 4.340 -0.000 0.000 0.280 27 L C 0.153 177.087 176.870 0.107 0.000 1.004 27 L CA -0.667 54.264 54.840 0.151 0.000 0.820 27 L CB 1.871 44.012 42.059 0.137 0.000 1.247 27 L HN 0.713 nan 8.230 nan 0.000 0.416 28 R N 4.188 124.749 120.500 0.101 0.000 2.360 28 R HA 0.605 4.945 4.340 -0.000 0.000 0.318 28 R C -1.426 174.892 176.300 0.029 0.000 0.950 28 R CA -0.546 55.606 56.100 0.086 0.000 0.837 28 R CB 1.046 31.423 30.300 0.129 0.000 1.165 28 R HN 0.583 nan 8.270 nan 0.000 0.458 29 L N 3.876 125.088 121.223 -0.017 0.000 2.287 29 L HA 0.439 4.779 4.340 -0.000 0.000 0.287 29 L C -0.338 176.524 176.870 -0.014 0.000 1.022 29 L CA -0.705 54.087 54.840 -0.080 0.000 0.814 29 L CB 2.001 43.890 42.059 -0.283 0.000 1.217 29 L HN 0.583 nan 8.230 nan 0.000 0.420 30 T N 2.392 116.938 114.554 -0.013 0.000 2.772 30 T HA 0.747 5.097 4.350 -0.000 0.000 0.288 30 T C 0.214 174.903 174.700 -0.017 0.000 0.994 30 T CA -0.494 61.602 62.100 -0.007 0.000 0.951 30 T CB 1.594 70.463 68.868 0.003 0.000 0.933 30 T HN 0.963 nan 8.240 nan 0.000 0.447 31 G N 4.074 112.859 108.800 -0.026 0.000 2.352 31 G HA2 0.270 4.230 3.960 -0.000 0.000 0.302 31 G HA3 0.270 4.230 3.960 -0.000 0.000 0.302 31 G C -3.076 171.815 174.900 -0.015 0.000 1.370 31 G CA -0.998 44.088 45.100 -0.022 0.000 0.918 31 G HN 0.314 nan 8.290 nan 0.000 0.610 32 P HA 0.200 nan 4.420 nan 0.000 0.232 32 P C 0.579 177.918 177.300 0.065 0.000 1.738 32 P CA -0.089 63.041 63.100 0.050 0.000 0.948 32 P CB -0.168 31.574 31.700 0.069 0.000 1.943 33 L N 0.198 121.433 121.223 0.021 0.000 2.436 33 L HA 0.322 4.662 4.340 -0.000 0.000 0.265 33 L C 0.229 177.107 176.870 0.013 0.000 1.168 33 L CA -0.140 54.677 54.840 -0.039 0.000 0.815 33 L CB 0.642 42.502 42.059 -0.332 0.000 1.109 33 L HN -0.060 nan 8.230 nan 0.000 0.462 34 D N 2.647 123.126 120.400 0.132 0.000 2.441 34 D HA 0.076 4.716 4.640 -0.000 0.000 0.221 34 D C 0.879 177.198 176.300 0.031 0.000 1.156 34 D CA -0.160 53.904 54.000 0.107 0.000 0.896 34 D CB 1.426 42.298 40.800 0.120 0.000 1.028 34 D HN 0.740 nan 8.370 nan 0.000 0.509 35 T N 2.394 116.933 114.554 -0.026 0.000 2.597 35 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 35 T C 1.814 176.452 174.700 -0.103 0.000 1.053 35 T CA 1.890 63.951 62.100 -0.065 0.000 1.165 35 T CB -0.273 68.677 68.868 0.136 0.000 0.863 35 T HN 0.438 nan 8.240 nan 0.000 0.427 36 T N 2.410 116.919 114.554 -0.076 0.000 2.635 36 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 36 T C 1.997 176.662 174.700 -0.059 0.000 1.040 36 T CA 1.097 63.136 62.100 -0.102 0.000 1.156 36 T CB -0.564 68.260 68.868 -0.072 0.000 0.863 36 T HN 0.261 nan 8.240 nan 0.000 0.430 37 L N 0.766 121.989 121.223 0.000 0.000 2.131 37 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 37 L C 2.566 179.534 176.870 0.164 0.000 1.092 37 L CA 0.683 55.540 54.840 0.028 0.000 0.759 37 L CB -0.624 41.396 42.059 -0.066 0.000 0.903 37 L HN 0.274 nan 8.230 nan 0.000 0.435 38 L N 0.314 121.664 121.223 0.211 0.000 2.056 38 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 38 L C 2.423 179.313 176.870 0.033 0.000 1.078 38 L CA 1.841 56.758 54.840 0.129 0.000 0.749 38 L CB -0.573 41.370 42.059 -0.192 0.000 0.901 38 L HN 0.259 nan 8.230 nan 0.000 0.433 39 L N -0.256 120.937 121.223 -0.050 0.000 2.046 39 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 39 L C 2.788 179.651 176.870 -0.011 0.000 1.077 39 L CA 1.423 56.221 54.840 -0.071 0.000 0.747 39 L CB -0.588 41.347 42.059 -0.207 0.000 0.896 39 L HN 0.300 nan 8.230 nan 0.000 0.432 40 R N 0.739 121.225 120.500 -0.024 0.000 2.073 40 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 40 R C 2.254 178.564 176.300 0.016 0.000 1.134 40 R CA 1.744 57.833 56.100 -0.019 0.000 0.952 40 R CB -0.729 29.540 30.300 -0.053 0.000 0.850 40 R HN 0.281 nan 8.270 nan 0.000 0.433 41 A N 0.785 123.631 122.820 0.043 0.000 1.892 41 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 41 A C 2.117 179.725 177.584 0.041 0.000 1.188 41 A CA 1.788 53.865 52.037 0.068 0.000 0.631 41 A CB -0.895 18.245 19.000 0.235 0.000 0.822 41 A HN 0.409 nan 8.150 nan 0.000 0.447 42 L N -0.876 120.386 121.223 0.065 0.000 2.056 42 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 42 L C 2.353 179.256 176.870 0.055 0.000 1.078 42 L CA 2.895 57.774 54.840 0.065 0.000 0.749 42 L CB -0.872 41.246 42.059 0.099 0.000 0.901 42 L HN 0.647 nan 8.230 nan 0.000 0.433 43 H N -1.035 118.016 119.070 -0.033 0.000 2.387 43 H HA -0.142 4.414 4.556 0.000 0.000 0.299 43 H C 2.022 177.305 175.328 -0.075 0.000 1.090 43 H CA 2.243 58.263 56.048 -0.046 0.000 1.332 43 H CB -0.098 29.632 29.762 -0.055 0.000 1.386 43 H HN 0.400 nan 8.280 nan 0.000 0.516 44 L N -0.563 120.589 121.223 -0.119 0.000 2.005 44 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 44 L C 2.542 179.286 176.870 -0.211 0.000 1.072 44 L CA 1.656 56.312 54.840 -0.307 0.000 0.744 44 L CB -0.663 40.967 42.059 -0.714 0.000 0.895 44 L HN 0.368 nan 8.230 nan 0.000 0.433 45 T N -0.371 114.146 114.554 -0.062 0.000 2.635 45 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 45 T C 1.958 176.733 174.700 0.125 0.000 1.040 45 T CA 1.552 63.717 62.100 0.108 0.000 1.156 45 T CB -0.351 68.541 68.868 0.039 0.000 0.863 45 T HN 0.050 nan 8.240 nan 0.000 0.430 46 V N 1.406 121.367 119.914 0.078 0.000 2.490 46 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 46 V C 2.653 178.731 176.094 -0.027 0.000 1.061 46 V CA 1.721 64.058 62.300 0.062 0.000 1.064 46 V CB -0.687 31.097 31.823 -0.066 0.000 0.670 46 V HN 0.456 nan 8.190 nan 0.000 0.461 47 S N -0.454 115.177 115.700 -0.115 0.000 2.399 47 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 47 S C 1.784 176.371 174.600 -0.022 0.000 1.022 47 S CA 1.237 59.373 58.200 -0.106 0.000 0.983 47 S CB -0.241 62.847 63.200 -0.185 0.000 0.803 47 S HN 0.714 nan 8.310 nan 0.000 0.480 48 E N 0.414 120.634 120.200 0.034 0.000 2.418 48 E HA 0.046 4.396 4.350 -0.000 0.000 0.197 48 E C -0.078 176.602 176.600 0.134 0.000 1.026 48 E CA 0.407 56.882 56.400 0.125 0.000 0.862 48 E CB -0.010 29.808 29.700 0.197 0.000 0.799 48 E HN 0.502 nan 8.360 nan 0.000 0.518 49 I N 2.261 122.812 120.570 -0.031 0.000 2.276 49 I HA 0.028 4.198 4.170 -0.000 0.000 0.290 49 I C 0.451 176.445 176.117 -0.205 0.000 1.109 49 I CA -0.446 60.678 61.300 -0.292 0.000 1.229 49 I CB 0.811 38.281 38.000 -0.884 0.000 1.452 49 I HN -0.143 nan 8.210 nan 0.000 0.497 50 D N 3.391 123.732 120.400 -0.099 0.000 2.123 50 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 50 D C 2.007 178.348 176.300 0.068 0.000 0.992 50 D CA 1.353 55.334 54.000 -0.031 0.000 0.833 50 D CB 0.281 41.032 40.800 -0.082 0.000 0.954 50 D HN 0.396 nan 8.370 nan 0.000 0.455 51 L N 0.148 121.329 121.223 -0.069 0.000 2.191 51 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 51 L C 1.918 178.874 176.870 0.143 0.000 1.103 51 L CA 1.100 55.901 54.840 -0.065 0.000 0.769 51 L CB -0.674 41.163 42.059 -0.371 0.000 0.908 51 L HN 0.052 nan 8.230 nan 0.000 0.438 52 F N -0.993 118.923 119.950 -0.056 0.000 2.583 52 F HA -0.137 4.390 4.527 0.000 0.000 0.297 52 F C 1.862 177.656 175.800 -0.011 0.000 1.131 52 F CA -0.002 57.975 58.000 -0.038 0.000 1.467 52 F CB -0.056 38.946 39.000 0.002 0.000 1.097 52 F HN 0.097 nan 8.300 nan 0.000 0.586 53 R N 0.096 120.726 120.500 0.216 0.000 2.362 53 R HA 0.246 4.586 4.340 -0.000 0.000 0.227 53 R C 0.634 176.939 176.300 0.008 0.000 0.905 53 R CA -0.222 55.982 56.100 0.173 0.000 1.067 53 R CB 0.305 30.761 30.300 0.259 0.000 1.078 53 R HN -0.010 nan 8.270 nan 0.000 0.516 54 A N 1.830 124.556 122.820 -0.157 0.000 2.445 54 A HA 0.298 4.618 4.320 -0.000 0.000 0.242 54 A C 0.021 177.177 177.584 -0.714 0.000 1.075 54 A CA 0.301 51.951 52.037 -0.644 0.000 0.777 54 A CB 0.382 18.969 19.000 -0.688 0.000 1.013 54 A HN 0.221 nan 8.150 nan 0.000 0.493 55 R N -0.055 119.749 120.500 -1.160 0.000 2.707 55 R HA 0.531 4.871 4.340 -0.000 0.000 0.272 55 R C -1.924 173.597 176.300 -1.298 0.000 1.011 55 R CA -0.486 54.981 56.100 -1.054 0.000 0.893 55 R CB 1.749 31.395 30.300 -1.089 0.000 1.233 55 R HN 0.625 nan 8.270 nan 0.000 0.464 56 F N 0.387 120.122 119.950 -0.358 0.000 2.508 56 F HA 0.356 4.883 4.527 -0.000 0.000 0.325 56 F C 0.989 176.849 175.800 0.100 0.000 1.090 56 F CA -0.665 57.218 58.000 -0.196 0.000 0.945 56 F CB 2.041 40.876 39.000 -0.275 0.000 1.156 56 F HN 0.480 nan 8.300 nan 0.000 0.463 57 S N 1.377 117.241 115.700 0.274 0.000 2.655 57 S HA 0.538 5.008 4.470 -0.000 0.000 0.265 57 S C 1.149 175.905 174.600 0.260 0.000 1.240 57 S CA -0.182 58.154 58.200 0.226 0.000 0.986 57 S CB 1.305 64.562 63.200 0.095 0.000 0.985 57 S HN 0.834 nan 8.310 nan 0.000 0.562 58 A N 0.245 123.200 122.820 0.225 0.000 2.070 58 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 58 A C 1.801 179.575 177.584 0.316 0.000 1.159 58 A CA 1.219 53.419 52.037 0.272 0.000 0.656 58 A CB -0.799 18.298 19.000 0.163 0.000 0.800 58 A HN 0.776 nan 8.150 nan 0.000 0.453 59 Q N -1.212 118.710 119.800 0.204 0.000 2.247 59 Q HA 0.376 4.716 4.340 -0.000 0.000 0.205 59 Q C 1.018 177.064 176.000 0.077 0.000 0.896 59 Q CA 0.601 56.502 55.803 0.164 0.000 0.950 59 Q CB -0.037 28.749 28.738 0.080 0.000 1.054 59 Q HN 0.808 nan 8.270 nan 0.000 0.482 60 G N 0.851 109.614 108.800 -0.062 0.000 2.155 60 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.257 60 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.257 60 G C -0.072 174.591 174.900 -0.394 0.000 0.983 60 G CA 0.412 45.035 45.100 -0.795 0.000 0.676 60 G HN 0.435 nan 8.290 nan 0.000 0.528 61 E N 0.105 120.221 120.200 -0.141 0.000 2.223 61 E HA 0.494 4.844 4.350 -0.000 0.000 0.282 61 E C 0.552 177.092 176.600 -0.101 0.000 1.046 61 E CA -0.850 55.502 56.400 -0.080 0.000 0.857 61 E CB 0.450 30.135 29.700 -0.025 0.000 1.055 61 E HN 0.430 nan 8.360 nan 0.000 0.409 62 L N 6.799 127.882 121.223 -0.233 0.000 2.331 62 L HA 0.346 4.686 4.340 -0.000 0.000 0.278 62 L C -1.176 175.383 176.870 -0.519 0.000 1.106 62 L CA -0.487 53.979 54.840 -0.623 0.000 0.824 62 L CB 0.134 41.800 42.059 -0.655 0.000 1.142 62 L HN 0.674 nan 8.230 nan 0.000 0.443 63 Y N 1.978 121.802 120.300 -0.794 0.000 2.644 63 Y HA 0.659 5.209 4.550 -0.000 0.000 0.338 63 Y C -1.931 173.467 175.900 -0.837 0.000 1.119 63 Y CA -1.724 55.989 58.100 -0.644 0.000 1.060 63 Y CB 0.710 39.001 38.460 -0.281 0.000 1.294 63 Y HN 0.441 nan 8.280 nan 0.000 0.472 64 W N 2.159 123.443 121.300 -0.027 0.000 2.376 64 W HA 0.421 5.081 4.660 -0.000 0.000 0.312 64 W C -0.023 176.493 176.519 -0.005 0.000 1.060 64 W CA -0.623 56.665 57.345 -0.095 0.000 1.221 64 W CB 0.732 30.161 29.460 -0.052 0.000 1.281 64 W HN 0.576 nan 8.180 nan 0.000 0.456 65 H N 5.682 124.759 119.070 0.011 0.000 2.764 65 H HA 0.025 4.581 4.556 -0.000 0.000 0.341 65 H C -1.183 174.122 175.328 -0.038 0.000 1.072 65 H CA -0.975 55.057 56.048 -0.027 0.000 1.444 65 H CB 1.744 31.476 29.762 -0.051 0.000 1.458 65 H HN 0.244 nan 8.280 nan 0.000 0.572 66 P HA -0.009 nan 4.420 nan 0.000 0.236 66 P C -0.363 176.762 177.300 -0.291 0.000 1.177 66 P CA 0.638 63.466 63.100 -0.454 0.000 0.773 66 P CB 0.250 31.566 31.700 -0.640 0.000 0.878 67 F N 0.572 120.443 119.950 -0.132 0.000 2.470 67 F HA 0.318 4.845 4.527 -0.000 0.000 0.329 67 F C 1.351 177.244 175.800 0.155 0.000 1.072 67 F CA -1.383 56.636 58.000 0.031 0.000 0.989 67 F CB 1.326 40.351 39.000 0.042 0.000 1.193 67 F HN -0.243 nan 8.300 nan 0.000 0.481 68 S N 1.134 117.018 115.700 0.307 0.000 2.603 68 S HA 0.393 4.863 4.470 -0.000 0.000 0.268 68 S C -2.739 171.990 174.600 0.215 0.000 1.317 68 S CA -1.424 56.893 58.200 0.195 0.000 1.012 68 S CB 0.492 63.719 63.200 0.046 0.000 0.926 68 S HN 0.249 nan 8.310 nan 0.000 0.539 69 P HA 0.232 nan 4.420 nan 0.000 0.264 69 P C -2.347 175.052 177.300 0.166 0.000 1.183 69 P CA -0.621 62.595 63.100 0.192 0.000 0.763 69 P CB -0.525 31.316 31.700 0.234 0.000 0.807 70 P HA 0.218 nan 4.420 nan 0.000 0.272 70 P C -0.462 176.943 177.300 0.175 0.000 1.230 70 P CA 0.210 63.404 63.100 0.157 0.000 0.788 70 P CB 0.546 32.324 31.700 0.131 0.000 0.949 71 I N 1.498 122.159 120.570 0.153 0.000 2.390 71 I HA 0.173 4.343 4.170 -0.000 0.000 0.283 71 I C -0.032 176.161 176.117 0.126 0.000 1.016 71 I CA -0.617 60.779 61.300 0.159 0.000 1.151 71 I CB 1.165 39.251 38.000 0.143 0.000 1.293 71 I HN 0.258 nan 8.210 nan 0.000 0.458 72 D N 6.403 126.863 120.400 0.101 0.000 2.352 72 D HA 0.081 4.721 4.640 -0.000 0.000 0.245 72 D C -0.958 175.347 176.300 0.008 0.000 1.224 72 D CA 0.167 54.197 54.000 0.049 0.000 0.879 72 D CB 0.428 41.239 40.800 0.019 0.000 1.057 72 D HN 0.292 nan 8.370 nan 0.000 0.491 73 Y N 2.915 123.164 120.300 -0.085 0.000 2.387 73 Y HA 0.485 5.035 4.550 0.000 0.000 0.336 73 Y C -0.987 174.858 175.900 -0.092 0.000 1.067 73 Y CA -0.595 57.433 58.100 -0.119 0.000 1.114 73 Y CB 1.272 39.703 38.460 -0.049 0.000 1.208 73 Y HN 0.375 nan 8.280 nan 0.000 0.458 74 Q N 4.282 123.434 119.800 -1.080 0.000 2.268 74 Q HA 0.178 4.518 4.340 -0.000 0.000 0.266 74 Q C -1.973 173.513 176.000 -0.856 0.000 1.006 74 Q CA -0.951 54.391 55.803 -0.770 0.000 0.824 74 Q CB 2.072 30.688 28.738 -0.204 0.000 1.306 74 Q HN 0.640 nan 8.270 nan 0.000 0.424 75 D N 3.344 123.367 120.400 -0.629 0.000 2.339 75 D HA 0.191 4.831 4.640 -0.000 0.000 0.241 75 D C 0.000 176.223 176.300 -0.129 0.000 1.183 75 D CA 0.037 53.879 54.000 -0.263 0.000 0.859 75 D CB 0.937 41.702 40.800 -0.058 0.000 1.067 75 D HN 0.598 nan 8.370 nan 0.000 0.484 76 L N 2.712 123.894 121.223 -0.069 0.000 2.766 76 L HA -0.005 4.335 4.340 -0.000 0.000 0.242 76 L C 2.180 178.987 176.870 -0.105 0.000 1.136 76 L CA -0.047 54.786 54.840 -0.012 0.000 0.933 76 L CB 0.138 42.259 42.059 0.104 0.000 1.241 76 L HN 0.325 nan 8.230 nan 0.000 0.522 77 S N 0.331 115.971 115.700 -0.099 0.000 2.488 77 S HA -0.169 4.301 4.470 -0.000 0.000 0.246 77 S C 1.683 176.208 174.600 -0.126 0.000 0.992 77 S CA 0.987 59.141 58.200 -0.078 0.000 0.963 77 S CB -0.616 62.563 63.200 -0.034 0.000 0.754 77 S HN 0.526 nan 8.310 nan 0.000 0.519 78 I N 0.500 120.906 120.570 -0.273 0.000 2.406 78 I HA -0.000 4.170 4.170 -0.000 0.000 0.249 78 I C 0.987 176.919 176.117 -0.309 0.000 1.122 78 I CA 0.453 61.553 61.300 -0.333 0.000 1.431 78 I CB -0.705 37.005 38.000 -0.483 0.000 1.087 78 I HN 0.284 nan 8.210 nan 0.000 0.424 79 H N 1.078 120.141 119.070 -0.011 0.000 2.551 79 H HA 0.302 4.858 4.556 -0.000 0.000 0.358 79 H C 1.204 176.525 175.328 -0.011 0.000 1.151 79 H CA 0.133 56.173 56.048 -0.013 0.000 1.374 79 H CB 1.463 31.214 29.762 -0.020 0.000 1.473 79 H HN 0.097 nan 8.280 nan 0.000 0.574 80 L N 0.854 122.147 121.223 0.116 0.000 2.307 80 L HA 0.133 4.473 4.340 -0.000 0.000 0.211 80 L C 1.743 178.644 176.870 0.051 0.000 1.099 80 L CA 1.758 56.633 54.840 0.058 0.000 0.816 80 L CB -1.564 40.519 42.059 0.039 0.000 0.952 80 L HN 0.800 nan 8.230 nan 0.000 0.455 81 E N -0.280 119.956 120.200 0.060 0.000 2.411 81 E HA 0.628 4.978 4.350 -0.000 0.000 0.228 81 E C 1.697 178.315 176.600 0.031 0.000 1.169 81 E CA 0.593 57.009 56.400 0.027 0.000 1.421 81 E CB -0.522 29.176 29.700 -0.002 0.000 1.333 81 E HN 0.986 nan 8.360 nan 0.000 0.434 82 A N 0.689 123.544 122.820 0.057 0.000 1.865 82 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 82 A C 2.068 179.644 177.584 -0.013 0.000 1.191 82 A CA 1.716 53.780 52.037 0.046 0.000 0.623 82 A CB -0.138 18.885 19.000 0.037 0.000 0.826 82 A HN 0.576 nan 8.150 nan 0.000 0.444 83 E N -0.629 119.582 120.200 0.019 0.000 2.023 83 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 83 E C -0.300 176.366 176.600 0.109 0.000 1.003 83 E CA 1.609 58.054 56.400 0.075 0.000 0.809 83 E CB -1.193 28.576 29.700 0.116 0.000 0.755 83 E HN 0.425 nan 8.360 nan 0.000 0.449 84 P HA -0.162 nan 4.420 nan 0.000 0.218 84 P C 1.469 178.766 177.300 -0.005 0.000 1.148 84 P CA 0.839 63.968 63.100 0.049 0.000 0.822 84 P CB 0.048 31.752 31.700 0.006 0.000 0.784 85 L N -0.593 120.593 121.223 -0.060 0.000 2.056 85 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 85 L C 2.126 178.852 176.870 -0.240 0.000 1.078 85 L CA 2.202 56.970 54.840 -0.120 0.000 0.749 85 L CB -1.774 40.216 42.059 -0.115 0.000 0.901 85 L HN -0.070 nan 8.230 nan 0.000 0.433 86 A N -1.273 121.302 122.820 -0.408 0.000 1.858 86 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 86 A C 2.019 179.162 177.584 -0.735 0.000 1.190 86 A CA 1.685 53.135 52.037 -0.978 0.000 0.617 86 A CB -1.222 17.030 19.000 -1.247 0.000 0.827 86 A HN 0.562 nan 8.150 nan 0.000 0.443 87 W N -0.085 121.003 121.300 -0.354 0.000 2.421 87 W HA -0.055 4.605 4.660 -0.000 0.000 0.270 87 W C 2.503 178.900 176.519 -0.204 0.000 1.233 87 W CA 1.253 58.450 57.345 -0.247 0.000 1.226 87 W CB -0.080 29.278 29.460 -0.169 0.000 1.121 87 W HN 0.280 nan 8.180 nan 0.000 0.579 88 R N -0.118 120.371 120.500 -0.018 0.000 2.090 88 R HA -0.127 4.213 4.340 -0.000 0.000 0.228 88 R C 2.016 178.269 176.300 -0.079 0.000 1.110 88 R CA 1.359 57.441 56.100 -0.030 0.000 0.973 88 R CB -0.471 29.803 30.300 -0.042 0.000 0.869 88 R HN 0.330 nan 8.270 nan 0.000 0.440 89 Q N 0.167 119.883 119.800 -0.140 0.000 2.245 89 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 89 Q C 2.068 177.944 176.000 -0.207 0.000 0.955 89 Q CA 0.866 56.597 55.803 -0.120 0.000 0.870 89 Q CB 0.144 28.854 28.738 -0.048 0.000 0.945 89 Q HN 0.383 nan 8.270 nan 0.000 0.461 90 I N 0.603 120.958 120.570 -0.359 0.000 2.252 90 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 90 I C 2.341 178.240 176.117 -0.364 0.000 1.102 90 I CA 1.024 61.937 61.300 -0.645 0.000 1.385 90 I CB -0.052 37.426 38.000 -0.871 0.000 1.064 90 I HN 0.171 nan 8.210 nan 0.000 0.414 91 E N 0.969 121.089 120.200 -0.133 0.000 2.150 91 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 91 E C 1.993 178.567 176.600 -0.043 0.000 0.985 91 E CA 1.264 57.644 56.400 -0.032 0.000 0.814 91 E CB -0.102 29.613 29.700 0.025 0.000 0.752 91 E HN 0.299 nan 8.360 nan 0.000 0.466 92 Q N 0.891 120.654 119.800 -0.061 0.000 2.061 92 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 92 Q C 1.643 177.629 176.000 -0.023 0.000 0.984 92 Q CA 2.401 58.183 55.803 -0.035 0.000 0.846 92 Q CB -0.689 28.028 28.738 -0.036 0.000 0.902 92 Q HN 0.444 nan 8.270 nan 0.000 0.421 93 D N -1.082 119.292 120.400 -0.043 0.000 2.144 93 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 93 D C 1.798 178.129 176.300 0.051 0.000 0.978 93 D CA 1.077 55.089 54.000 0.019 0.000 0.833 93 D CB -0.105 40.743 40.800 0.079 0.000 0.961 93 D HN 0.369 nan 8.370 nan 0.000 0.470 94 L N -0.114 121.133 121.223 0.040 0.000 2.083 94 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 94 L C 2.110 179.000 176.870 0.034 0.000 1.083 94 L CA 1.100 55.978 54.840 0.064 0.000 0.752 94 L CB -0.320 41.776 42.059 0.063 0.000 0.899 94 L HN 0.177 nan 8.230 nan 0.000 0.433 95 Q N -0.010 119.802 119.800 0.019 0.000 2.365 95 Q HA -0.004 4.336 4.340 -0.000 0.000 0.203 95 Q C 0.449 176.460 176.000 0.017 0.000 0.929 95 Q CA -0.306 55.505 55.803 0.013 0.000 0.948 95 Q CB 0.207 28.949 28.738 0.007 0.000 1.043 95 Q HN 0.312 nan 8.270 nan 0.000 0.505 96 R N 0.764 121.278 120.500 0.024 0.000 2.774 96 R HA 0.024 4.364 4.340 -0.000 0.000 0.269 96 R C 0.927 177.248 176.300 0.034 0.000 1.068 96 R CA 0.961 57.078 56.100 0.027 0.000 1.180 96 R CB 0.232 30.550 30.300 0.030 0.000 1.077 96 R HN 0.060 nan 8.270 nan 0.000 0.513 97 S N 0.796 116.519 115.700 0.039 0.000 2.440 97 S HA -0.205 4.265 4.470 -0.000 0.000 0.240 97 S C 0.668 175.311 174.600 0.071 0.000 1.014 97 S CA 1.004 59.234 58.200 0.050 0.000 0.980 97 S CB -0.792 62.439 63.200 0.051 0.000 0.775 97 S HN 1.174 nan 8.310 nan 0.000 0.499 98 S N -0.348 115.395 115.700 0.072 0.000 3.614 98 S HA -0.182 4.288 4.470 -0.000 0.000 0.360 98 S C 0.203 174.898 174.600 0.157 0.000 1.023 98 S CA 0.781 59.040 58.200 0.098 0.000 1.114 98 S CB -3.004 60.261 63.200 0.108 0.000 0.907 98 S HN 0.674 nan 8.310 nan 0.000 0.470 99 T N 1.101 115.739 114.554 0.139 0.000 2.748 99 T HA 0.449 4.799 4.350 -0.000 0.000 0.304 99 T C 1.533 176.263 174.700 0.050 0.000 1.041 99 T CA 0.224 62.445 62.100 0.201 0.000 1.033 99 T CB 0.627 69.576 68.868 0.135 0.000 0.995 99 T HN 0.408 nan 8.240 nan 0.000 0.536 100 L N 0.061 121.244 121.223 -0.066 0.000 2.766 100 L HA 0.292 4.632 4.340 -0.000 0.000 0.241 100 L C 0.230 177.152 176.870 0.087 0.000 1.080 100 L CA -0.072 54.644 54.840 -0.206 0.000 0.909 100 L CB 0.361 41.972 42.059 -0.746 0.000 1.277 100 L HN 0.481 nan 8.230 nan 0.000 0.510 101 I N 1.702 122.376 120.570 0.174 0.000 2.618 101 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 101 I C 0.465 176.684 176.117 0.171 0.000 1.146 101 I CA 0.604 62.050 61.300 0.243 0.000 1.425 101 I CB 0.087 38.227 38.000 0.234 0.000 1.383 101 I HN 0.328 nan 8.210 nan 0.000 0.562 102 D N 3.166 123.685 120.400 0.199 0.000 2.782 102 D HA -0.214 4.426 4.640 -0.000 0.000 0.231 102 D C 0.325 176.669 176.300 0.074 0.000 1.163 102 D CA 1.054 55.161 54.000 0.179 0.000 0.680 102 D CB -0.539 40.368 40.800 0.178 0.000 1.062 102 D HN 0.711 nan 8.370 nan 0.000 0.425 103 A N -0.248 122.585 122.820 0.023 0.000 2.386 103 A HA 0.717 5.037 4.320 -0.000 0.000 0.308 103 A C -2.578 174.950 177.584 -0.093 0.000 1.128 103 A CA -1.422 50.601 52.037 -0.024 0.000 0.789 103 A CB 1.503 20.506 19.000 0.006 0.000 1.325 103 A HN -0.180 nan 8.150 nan 0.000 0.437 104 P HA 0.206 nan 4.420 nan 0.000 0.276 104 P C 0.388 177.622 177.300 -0.111 0.000 1.235 104 P CA -0.220 62.797 63.100 -0.137 0.000 0.772 104 P CB 0.400 32.034 31.700 -0.111 0.000 0.871 105 I N 0.543 121.036 120.570 -0.128 0.000 3.226 105 I HA 0.011 4.181 4.170 -0.000 0.000 0.277 105 I C 1.315 177.305 176.117 -0.211 0.000 1.243 105 I CA 1.098 62.323 61.300 -0.125 0.000 1.459 105 I CB -1.232 36.711 38.000 -0.094 0.000 1.093 105 I HN 0.372 nan 8.210 nan 0.000 0.453 106 T N -2.388 112.002 114.554 -0.272 0.000 2.926 106 T HA 0.626 4.976 4.350 -0.000 0.000 0.289 106 T C -0.321 174.133 174.700 -0.411 0.000 1.054 106 T CA -0.670 61.152 62.100 -0.464 0.000 1.015 106 T CB 2.962 71.371 68.868 -0.766 0.000 1.167 106 T HN -0.021 nan 8.240 nan 0.000 0.526 107 S N -0.197 115.101 115.700 -0.670 0.000 2.540 107 S HA 0.553 5.023 4.470 -0.000 0.000 0.275 107 S C -1.922 172.135 174.600 -0.905 0.000 1.123 107 S CA -0.731 57.171 58.200 -0.497 0.000 0.907 107 S CB 0.849 63.932 63.200 -0.196 0.000 1.081 107 S HN 0.819 nan 8.310 nan 0.000 0.476 108 H N 3.114 122.154 119.070 -0.049 0.000 2.924 108 H HA 0.411 4.967 4.556 -0.000 0.000 0.333 108 H C -1.024 174.327 175.328 0.039 0.000 0.979 108 H CA -0.544 55.497 56.048 -0.012 0.000 1.326 108 H CB 1.508 31.290 29.762 0.033 0.000 1.600 108 H HN 0.580 nan 8.280 nan 0.000 0.520 109 Q N 1.805 121.682 119.800 0.128 0.000 2.375 109 Q HA 0.615 4.955 4.340 -0.000 0.000 0.271 109 Q C -0.868 175.053 176.000 -0.132 0.000 1.074 109 Q CA -0.984 54.804 55.803 -0.025 0.000 0.808 109 Q CB 3.577 32.324 28.738 0.015 0.000 1.327 109 Q HN 0.278 nan 8.270 nan 0.000 0.441 110 V N 2.162 121.889 119.914 -0.312 0.000 2.656 110 V HA 0.516 4.636 4.120 -0.000 0.000 0.307 110 V C -1.465 174.362 176.094 -0.444 0.000 1.051 110 V CA -0.837 61.364 62.300 -0.165 0.000 0.893 110 V CB 1.316 33.229 31.823 0.151 0.000 0.999 110 V HN 0.657 nan 8.190 nan 0.000 0.426 111 Y N 2.401 122.758 120.300 0.095 0.000 2.373 111 Y HA 0.575 5.125 4.550 -0.000 0.000 0.336 111 Y C 0.173 176.064 175.900 -0.015 0.000 0.979 111 Y CA -0.699 57.384 58.100 -0.027 0.000 1.080 111 Y CB 1.842 40.242 38.460 -0.101 0.000 1.190 111 Y HN 0.541 nan 8.280 nan 0.000 0.446 112 R N 4.123 124.664 120.500 0.068 0.000 2.205 112 R HA 0.382 4.722 4.340 -0.000 0.000 0.342 112 R C -0.234 175.990 176.300 -0.127 0.000 1.058 112 R CA -0.017 55.986 56.100 -0.163 0.000 0.904 112 R CB 0.265 30.582 30.300 0.028 0.000 1.089 112 R HN 0.972 nan 8.270 nan 0.000 0.471 113 L N 2.019 123.143 121.223 -0.165 0.000 2.127 113 L HA 0.086 4.426 4.340 -0.000 0.000 0.203 113 L C 0.986 177.814 176.870 -0.071 0.000 1.080 113 L CA 0.629 55.423 54.840 -0.076 0.000 0.768 113 L CB -0.131 41.900 42.059 -0.047 0.000 0.924 113 L HN 0.669 nan 8.230 nan 0.000 0.444 114 S N -2.381 113.252 115.700 -0.112 0.000 2.688 114 S HA 0.165 4.635 4.470 -0.000 0.000 0.275 114 S C 0.745 175.327 174.600 -0.030 0.000 1.175 114 S CA -0.403 57.784 58.200 -0.021 0.000 0.818 114 S CB 0.690 63.894 63.200 0.007 0.000 1.157 114 S HN 0.330 nan 8.310 nan 0.000 0.482 115 H N 0.548 119.600 119.070 -0.029 0.000 2.521 115 H HA 0.111 4.667 4.556 0.000 0.000 0.286 115 H C 1.188 176.559 175.328 0.072 0.000 1.034 115 H CA 1.566 57.630 56.048 0.025 0.000 1.278 115 H CB -0.505 29.279 29.762 0.037 0.000 1.386 115 H HN 0.644 nan 8.280 nan 0.000 0.567 116 S N -0.549 114.859 115.700 -0.486 0.000 2.629 116 S HA 0.209 4.679 4.470 -0.000 0.000 0.236 116 S C -0.068 174.467 174.600 -0.109 0.000 1.010 116 S CA -0.696 57.313 58.200 -0.319 0.000 0.981 116 S CB 0.692 63.609 63.200 -0.472 0.000 0.919 116 S HN 0.178 nan 8.310 nan 0.000 0.514 117 E N 1.644 121.775 120.200 -0.114 0.000 2.241 117 E HA 0.472 4.822 4.350 -0.000 0.000 0.263 117 E C -1.550 174.934 176.600 -0.194 0.000 0.882 117 E CA -0.328 56.028 56.400 -0.074 0.000 0.769 117 E CB 1.506 31.167 29.700 -0.064 0.000 1.185 117 E HN 0.442 nan 8.360 nan 0.000 0.415 118 H N 0.666 119.719 119.070 -0.027 0.000 2.690 118 H HA 0.580 5.136 4.556 0.000 0.000 0.368 118 H C -1.009 174.326 175.328 0.011 0.000 1.150 118 H CA -0.762 55.283 56.048 -0.005 0.000 1.174 118 H CB 1.937 31.655 29.762 -0.072 0.000 1.684 118 H HN 0.190 nan 8.280 nan 0.000 0.538 119 L N 3.307 124.636 121.223 0.176 0.000 2.372 119 L HA 0.516 4.856 4.340 -0.000 0.000 0.274 119 L C -1.458 175.523 176.870 0.186 0.000 0.988 119 L CA -0.216 54.716 54.840 0.154 0.000 0.833 119 L CB 0.737 42.860 42.059 0.107 0.000 1.236 119 L HN 0.600 nan 8.230 nan 0.000 0.410 120 I N 5.099 125.749 120.570 0.135 0.000 2.354 120 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 120 I C -1.389 174.852 176.117 0.208 0.000 0.989 120 I CA -0.745 60.644 61.300 0.148 0.000 1.188 120 I CB 1.554 39.619 38.000 0.109 0.000 1.342 120 I HN 0.557 nan 8.210 nan 0.000 0.457 121 Y N 5.671 126.006 120.300 0.059 0.000 2.331 121 Y HA 0.532 5.082 4.550 0.000 0.000 0.334 121 Y C -0.799 175.107 175.900 0.011 0.000 0.960 121 Y CA -0.539 57.573 58.100 0.021 0.000 1.130 121 Y CB 1.661 40.105 38.460 -0.026 0.000 1.164 121 Y HN 0.467 nan 8.280 nan 0.000 0.458 122 T N 7.656 121.883 114.554 -0.545 0.000 2.812 122 T HA 0.517 4.867 4.350 -0.000 0.000 0.282 122 T C -1.161 172.994 174.700 -0.907 0.000 0.990 122 T CA -0.842 60.883 62.100 -0.625 0.000 0.960 122 T CB 1.087 69.752 68.868 -0.339 0.000 0.948 122 T HN 0.665 nan 8.240 nan 0.000 0.438 123 R N 1.667 121.606 120.500 -0.935 0.000 2.673 123 R HA 0.814 5.154 4.340 -0.000 0.000 0.281 123 R C -1.869 174.062 176.300 -0.615 0.000 0.991 123 R CA -0.585 55.102 56.100 -0.688 0.000 0.896 123 R CB 1.649 31.628 30.300 -0.536 0.000 1.201 123 R HN 0.769 nan 8.270 nan 0.000 0.457 124 A N 2.501 125.038 122.820 -0.470 0.000 2.593 124 A HA 0.402 4.722 4.320 -0.000 0.000 0.290 124 A C -1.794 175.640 177.584 -0.251 0.000 1.126 124 A CA -0.751 51.028 52.037 -0.431 0.000 0.695 124 A CB 1.461 20.128 19.000 -0.555 0.000 1.290 124 A HN 0.820 nan 8.150 nan 0.000 0.414 125 H N 0.181 119.095 119.070 -0.259 0.000 2.467 125 H HA 0.265 4.821 4.556 -0.000 0.000 0.331 125 H C 0.597 175.778 175.328 -0.244 0.000 1.120 125 H CA 0.026 55.963 56.048 -0.186 0.000 1.270 125 H CB 0.875 30.552 29.762 -0.140 0.000 1.466 125 H HN 0.831 nan 8.280 nan 0.000 0.504 126 H N 4.235 122.978 119.070 -0.544 0.000 2.518 126 H HA -0.134 4.422 4.556 -0.000 0.000 0.294 126 H C 1.895 176.846 175.328 -0.628 0.000 1.083 126 H CA 1.217 56.910 56.048 -0.592 0.000 1.264 126 H CB 0.366 29.618 29.762 -0.851 0.000 1.370 126 H HN 0.625 nan 8.280 nan 0.000 0.560 127 I N 1.032 121.567 120.570 -0.058 0.000 3.001 127 I HA -0.157 4.013 4.170 -0.000 0.000 0.268 127 I C 1.472 177.592 176.117 0.004 0.000 1.267 127 I CA 0.719 61.980 61.300 -0.065 0.000 1.472 127 I CB 0.200 38.203 38.000 0.005 0.000 1.089 127 I HN 0.073 nan 8.210 nan 0.000 0.468 128 V N -2.373 117.525 119.914 -0.027 0.000 3.398 128 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 128 V C -0.297 175.773 176.094 -0.039 0.000 1.496 128 V CA -0.420 61.869 62.300 -0.019 0.000 1.044 128 V CB 0.445 32.276 31.823 0.014 0.000 0.880 128 V HN 0.106 nan 8.190 nan 0.000 0.443 129 L N 2.218 123.362 121.223 -0.131 0.000 2.592 129 L HA 0.750 5.090 4.340 -0.000 0.000 0.258 129 L C -1.471 175.202 176.870 -0.329 0.000 0.926 129 L CA -0.056 54.687 54.840 -0.161 0.000 0.885 129 L CB 2.297 44.281 42.059 -0.124 0.000 1.380 129 L HN 0.469 nan 8.230 nan 0.000 0.415 130 D N 1.829 122.104 120.400 -0.209 0.000 2.666 130 D HA 0.554 5.194 4.640 -0.000 0.000 0.252 130 D C 0.986 177.230 176.300 -0.093 0.000 1.143 130 D CA -0.030 53.856 54.000 -0.191 0.000 1.096 130 D CB 0.390 41.208 40.800 0.031 0.000 1.260 130 D HN 0.506 nan 8.370 nan 0.000 0.633 131 G N -1.148 107.682 108.800 0.051 0.000 2.421 131 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 131 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 131 G C 1.278 176.266 174.900 0.146 0.000 1.171 131 G CA 0.831 46.004 45.100 0.121 0.000 0.775 131 G HN 0.509 nan 8.290 nan 0.000 0.543 132 Y N 1.845 122.190 120.300 0.074 0.000 2.165 132 Y HA -0.064 4.486 4.550 0.000 0.000 0.286 132 Y C 2.844 178.713 175.900 -0.053 0.000 1.155 132 Y CA 1.594 59.725 58.100 0.052 0.000 1.164 132 Y CB -0.340 38.147 38.460 0.045 0.000 0.978 132 Y HN 0.163 nan 8.280 nan 0.000 0.513 133 G N -0.171 108.685 108.800 0.092 0.000 2.440 133 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 133 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 133 G C 1.570 176.438 174.900 -0.054 0.000 1.154 133 G CA 1.169 46.251 45.100 -0.030 0.000 0.767 133 G HN 0.411 nan 8.290 nan 0.000 0.552 134 M N 1.066 120.625 119.600 -0.069 0.000 2.065 134 M HA -0.065 4.415 4.480 -0.000 0.000 0.259 134 M C 2.489 178.794 176.300 0.009 0.000 1.069 134 M CA 2.208 57.453 55.300 -0.092 0.000 1.110 134 M CB -0.453 31.969 32.600 -0.298 0.000 1.328 134 M HN 0.380 nan 8.290 nan 0.000 0.405 135 M N -0.932 118.623 119.600 -0.075 0.000 2.229 135 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 135 M C 1.669 177.860 176.300 -0.182 0.000 1.063 135 M CA 1.891 57.110 55.300 -0.135 0.000 1.114 135 M CB -1.310 31.109 32.600 -0.303 0.000 1.387 135 M HN 0.324 nan 8.290 nan 0.000 0.420 136 L N -0.646 120.447 121.223 -0.217 0.000 2.042 136 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 136 L C 2.602 179.559 176.870 0.144 0.000 1.076 136 L CA 1.669 56.456 54.840 -0.090 0.000 0.749 136 L CB -0.868 41.122 42.059 -0.114 0.000 0.893 136 L HN 0.475 nan 8.230 nan 0.000 0.432 137 F N 1.047 120.990 119.950 -0.011 0.000 2.171 137 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 137 F C 2.286 178.148 175.800 0.104 0.000 1.090 137 F CA 1.668 59.725 58.000 0.095 0.000 1.293 137 F CB -0.112 38.933 39.000 0.075 0.000 1.013 137 F HN 0.079 nan 8.300 nan 0.000 0.486 138 E N -0.321 119.878 120.200 -0.002 0.000 2.072 138 E HA -0.193 4.157 4.350 -0.000 0.000 0.190 138 E C 2.187 178.693 176.600 -0.155 0.000 0.982 138 E CA 1.044 57.384 56.400 -0.101 0.000 0.803 138 E CB -0.242 29.511 29.700 0.088 0.000 0.755 138 E HN 0.435 nan 8.360 nan 0.000 0.453 139 Q N 0.573 120.295 119.800 -0.130 0.000 2.124 139 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 139 Q C 2.174 178.056 176.000 -0.196 0.000 0.977 139 Q CA 1.081 56.786 55.803 -0.163 0.000 0.850 139 Q CB -0.272 28.368 28.738 -0.163 0.000 0.901 139 Q HN 0.020 nan 8.270 nan 0.000 0.429 140 R N 1.120 121.518 120.500 -0.169 0.000 2.081 140 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 140 R C 2.155 178.316 176.300 -0.232 0.000 1.131 140 R CA 0.894 56.833 56.100 -0.269 0.000 0.960 140 R CB -0.936 29.228 30.300 -0.228 0.000 0.856 140 R HN 0.269 nan 8.270 nan 0.000 0.436 141 L N 0.130 121.204 121.223 -0.248 0.000 2.042 141 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 141 L C 2.232 179.067 176.870 -0.059 0.000 1.076 141 L CA 2.432 57.184 54.840 -0.148 0.000 0.749 141 L CB -1.204 40.703 42.059 -0.253 0.000 0.893 141 L HN 0.294 nan 8.230 nan 0.000 0.432 142 S N -1.077 114.479 115.700 -0.240 0.000 2.353 142 S HA -0.286 4.184 4.470 -0.000 0.000 0.222 142 S C 1.957 176.435 174.600 -0.204 0.000 1.035 142 S CA 1.802 59.736 58.200 -0.444 0.000 1.025 142 S CB -0.316 62.603 63.200 -0.469 0.000 0.902 142 S HN 0.712 nan 8.310 nan 0.000 0.440 143 Q N -0.406 119.269 119.800 -0.208 0.000 2.045 143 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 143 Q C 2.236 178.148 176.000 -0.147 0.000 0.991 143 Q CA 1.828 57.505 55.803 -0.211 0.000 0.851 143 Q CB -0.446 28.096 28.738 -0.326 0.000 0.911 143 Q HN 0.658 nan 8.270 nan 0.000 0.418 144 H N -0.872 118.143 119.070 -0.091 0.000 2.387 144 H HA -0.148 4.408 4.556 0.000 0.000 0.299 144 H C 1.846 177.170 175.328 -0.006 0.000 1.090 144 H CA 1.426 57.439 56.048 -0.058 0.000 1.332 144 H CB -0.353 29.376 29.762 -0.054 0.000 1.386 144 H HN 0.341 nan 8.280 nan 0.000 0.516 145 Y N 1.950 122.294 120.300 0.072 0.000 2.145 145 Y HA -0.277 4.273 4.550 -0.000 0.000 0.286 145 Y C 2.822 178.738 175.900 0.026 0.000 1.145 145 Y CA 2.107 60.251 58.100 0.073 0.000 1.148 145 Y CB -0.134 38.435 38.460 0.182 0.000 0.981 145 Y HN 0.085 nan 8.280 nan 0.000 0.507 146 Q N 0.051 119.859 119.800 0.013 0.000 2.124 146 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 146 Q C 2.297 178.229 176.000 -0.113 0.000 0.977 146 Q CA 2.289 58.054 55.803 -0.062 0.000 0.850 146 Q CB -0.612 28.116 28.738 -0.016 0.000 0.901 146 Q HN 0.444 nan 8.270 nan 0.000 0.429 147 S N -0.222 115.429 115.700 -0.080 0.000 2.355 147 S HA -0.060 4.410 4.470 -0.000 0.000 0.222 147 S C 1.793 176.337 174.600 -0.093 0.000 1.031 147 S CA 1.222 59.382 58.200 -0.067 0.000 0.993 147 S CB -0.308 62.878 63.200 -0.023 0.000 0.859 147 S HN 0.401 nan 8.310 nan 0.000 0.453 148 L N 0.614 121.764 121.223 -0.121 0.000 2.046 148 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 148 L C 2.352 179.096 176.870 -0.210 0.000 1.077 148 L CA 0.780 55.529 54.840 -0.152 0.000 0.747 148 L CB -0.433 41.532 42.059 -0.158 0.000 0.896 148 L HN 0.266 nan 8.230 nan 0.000 0.432 149 L N -0.259 120.762 121.223 -0.336 0.000 2.056 149 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 149 L C 2.576 179.352 176.870 -0.157 0.000 1.078 149 L CA 2.018 56.674 54.840 -0.307 0.000 0.749 149 L CB -0.362 41.435 42.059 -0.436 0.000 0.901 149 L HN 0.342 nan 8.230 nan 0.000 0.433 150 S N -1.206 114.418 115.700 -0.126 0.000 2.593 150 S HA 0.233 4.703 4.470 -0.000 0.000 0.217 150 S C 1.442 176.004 174.600 -0.064 0.000 0.966 150 S CA 0.146 58.301 58.200 -0.075 0.000 0.914 150 S CB -0.489 62.677 63.200 -0.057 0.000 0.776 150 S HN 0.690 nan 8.310 nan 0.000 0.523 151 G N 0.955 109.710 108.800 -0.074 0.000 2.225 151 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.267 151 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.267 151 G C -0.206 174.667 174.900 -0.046 0.000 1.024 151 G CA 0.474 45.539 45.100 -0.057 0.000 0.784 151 G HN 0.646 nan 8.290 nan 0.000 0.507 152 Q N -0.541 119.231 119.800 -0.047 0.000 2.204 152 Q HA 0.569 4.909 4.340 -0.000 0.000 0.254 152 Q C 0.155 176.134 176.000 -0.034 0.000 0.981 152 Q CA -0.539 55.241 55.803 -0.039 0.000 0.897 152 Q CB 1.095 29.808 28.738 -0.041 0.000 1.273 152 Q HN 0.212 nan 8.270 nan 0.000 0.464 153 T N 3.462 117.997 114.554 -0.031 0.000 2.851 153 T HA 0.216 4.566 4.350 -0.000 0.000 0.298 153 T C -2.058 172.624 174.700 -0.031 0.000 0.977 153 T CA -0.963 61.122 62.100 -0.025 0.000 1.126 153 T CB 0.213 69.066 68.868 -0.025 0.000 0.916 153 T HN 0.380 nan 8.240 nan 0.000 0.529 154 P HA 0.163 nan 4.420 nan 0.000 0.274 154 P C 0.423 177.673 177.300 -0.083 0.000 1.231 154 P CA -0.483 62.590 63.100 -0.046 0.000 0.790 154 P CB 0.385 32.110 31.700 0.042 0.000 0.951 155 T N -1.129 113.342 114.554 -0.138 0.000 2.667 155 T HA 0.385 4.735 4.350 -0.000 0.000 0.305 155 T C 0.666 175.277 174.700 -0.150 0.000 1.022 155 T CA -0.518 61.503 62.100 -0.132 0.000 0.995 155 T CB -0.197 68.583 68.868 -0.146 0.000 1.026 155 T HN 0.574 nan 8.240 nan 0.000 0.527 156 A N 0.535 123.280 122.820 -0.125 0.000 2.555 156 A HA 0.533 4.853 4.320 -0.000 0.000 0.233 156 A C 0.900 178.371 177.584 -0.188 0.000 1.060 156 A CA -0.147 51.821 52.037 -0.115 0.000 0.759 156 A CB -0.986 17.968 19.000 -0.077 0.000 0.995 156 A HN 1.421 nan 8.150 nan 0.000 0.506 157 A N 1.408 124.141 122.820 -0.144 0.000 2.272 157 A HA 0.627 4.947 4.320 -0.000 0.000 0.275 157 A C 0.001 177.507 177.584 -0.130 0.000 1.096 157 A CA -0.533 51.392 52.037 -0.187 0.000 0.822 157 A CB -0.020 18.943 19.000 -0.061 0.000 1.088 157 A HN 0.702 nan 8.150 nan 0.000 0.495 158 F N 1.107 121.036 119.950 -0.035 0.000 2.553 158 F HA 0.094 4.621 4.527 -0.000 0.000 0.356 158 F C 1.356 177.142 175.800 -0.024 0.000 1.142 158 F CA 0.164 58.142 58.000 -0.036 0.000 1.322 158 F CB 0.702 39.673 39.000 -0.050 0.000 1.126 158 F HN 0.400 nan 8.300 nan 0.000 0.599 159 K N 3.663 124.181 120.400 0.196 0.000 2.219 159 K HA 0.209 4.529 4.320 -0.000 0.000 0.258 159 K C -2.291 174.363 176.600 0.091 0.000 1.008 159 K CA -1.427 54.921 56.287 0.101 0.000 0.928 159 K CB 0.103 32.649 32.500 0.078 0.000 0.983 159 K HN 0.254 nan 8.250 nan 0.000 0.484 160 P HA -0.070 nan 4.420 nan 0.000 0.269 160 P C 0.374 177.711 177.300 0.062 0.000 1.215 160 P CA 0.018 63.134 63.100 0.026 0.000 0.780 160 P CB 0.346 32.030 31.700 -0.028 0.000 0.898 161 Y N 1.946 122.203 120.300 -0.071 0.000 2.274 161 Y HA -0.241 4.309 4.550 0.000 0.000 0.290 161 Y C 2.586 178.506 175.900 0.035 0.000 1.145 161 Y CA 2.006 60.105 58.100 -0.002 0.000 1.203 161 Y CB -0.578 37.878 38.460 -0.007 0.000 0.984 161 Y HN 0.278 nan 8.280 nan 0.000 0.533 162 Q N -0.074 119.689 119.800 -0.062 0.000 2.181 162 Q HA -0.158 4.182 4.340 -0.000 0.000 0.205 162 Q C 2.212 178.142 176.000 -0.117 0.000 0.980 162 Q CA 2.151 57.880 55.803 -0.124 0.000 0.862 162 Q CB -0.489 28.171 28.738 -0.131 0.000 0.905 162 Q HN 0.421 nan 8.270 nan 0.000 0.429 163 S N -0.768 114.891 115.700 -0.069 0.000 2.383 163 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 163 S C 1.413 175.972 174.600 -0.069 0.000 1.026 163 S CA 1.017 59.187 58.200 -0.050 0.000 0.981 163 S CB -0.520 62.676 63.200 -0.007 0.000 0.818 163 S HN 0.624 nan 8.310 nan 0.000 0.472 164 Y N 2.400 122.580 120.300 -0.199 0.000 2.200 164 Y HA -0.017 4.533 4.550 -0.000 0.000 0.290 164 Y C 1.814 177.559 175.900 -0.258 0.000 1.137 164 Y CA 1.086 59.045 58.100 -0.234 0.000 1.163 164 Y CB -0.531 37.738 38.460 -0.319 0.000 0.988 164 Y HN 0.124 nan 8.280 nan 0.000 0.518 165 L N 0.045 120.970 121.223 -0.497 0.000 2.012 165 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 165 L C 2.397 179.077 176.870 -0.316 0.000 1.073 165 L CA 2.023 56.600 54.840 -0.439 0.000 0.748 165 L CB -0.638 41.281 42.059 -0.232 0.000 0.891 165 L HN 0.287 nan 8.230 nan 0.000 0.431 166 E N -0.197 119.873 120.200 -0.217 0.000 2.058 166 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 166 E C 2.119 178.630 176.600 -0.149 0.000 0.997 166 E CA 1.422 57.736 56.400 -0.142 0.000 0.801 166 E CB -0.063 29.580 29.700 -0.096 0.000 0.746 166 E HN 0.421 nan 8.360 nan 0.000 0.450 167 E N 0.641 120.731 120.200 -0.182 0.000 2.058 167 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 167 E C 2.035 178.539 176.600 -0.161 0.000 0.997 167 E CA 1.371 57.686 56.400 -0.142 0.000 0.801 167 E CB 0.066 29.693 29.700 -0.123 0.000 0.746 167 E HN 0.045 nan 8.360 nan 0.000 0.450 168 E N 0.319 120.300 120.200 -0.363 0.000 2.110 168 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 168 E C 1.691 178.238 176.600 -0.087 0.000 0.988 168 E CA 1.414 57.648 56.400 -0.277 0.000 0.804 168 E CB -0.291 29.071 29.700 -0.563 0.000 0.745 168 E HN 0.347 nan 8.360 nan 0.000 0.458 169 A N 0.773 123.513 122.820 -0.133 0.000 1.877 169 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 169 A C 2.460 180.008 177.584 -0.060 0.000 1.186 169 A CA 2.128 54.112 52.037 -0.088 0.000 0.620 169 A CB -1.100 17.849 19.000 -0.086 0.000 0.822 169 A HN 0.388 nan 8.150 nan 0.000 0.443 170 A N -1.427 121.372 122.820 -0.035 0.000 1.933 170 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 170 A C 2.150 179.746 177.584 0.020 0.000 1.175 170 A CA 1.741 53.775 52.037 -0.006 0.000 0.628 170 A CB -0.835 18.169 19.000 0.007 0.000 0.814 170 A HN 0.832 nan 8.150 nan 0.000 0.444 171 Y N 0.515 120.788 120.300 -0.046 0.000 2.181 171 Y HA -0.113 4.437 4.550 -0.000 0.000 0.288 171 Y C 1.800 177.691 175.900 -0.016 0.000 1.146 171 Y CA 1.686 59.790 58.100 0.006 0.000 1.164 171 Y CB -0.317 38.154 38.460 0.019 0.000 0.982 171 Y HN 0.193 nan 8.280 nan 0.000 0.515 172 L N 0.029 121.065 121.223 -0.311 0.000 2.265 172 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 172 L C 1.945 178.381 176.870 -0.723 0.000 1.117 172 L CA 1.812 56.237 54.840 -0.691 0.000 0.782 172 L CB -0.718 41.090 42.059 -0.418 0.000 0.914 172 L HN 0.461 nan 8.230 nan 0.000 0.441 173 T N -5.113 109.247 114.554 -0.322 0.000 3.054 173 T HA 0.103 4.453 4.350 -0.000 0.000 0.255 173 T C 0.861 175.566 174.700 0.008 0.000 1.035 173 T CA 0.069 62.098 62.100 -0.118 0.000 0.941 173 T CB 0.047 68.887 68.868 -0.046 0.000 1.026 173 T HN 0.238 nan 8.240 nan 0.000 0.533 174 S N 0.394 116.071 115.700 -0.039 0.000 2.632 174 S HA 0.235 4.705 4.470 -0.000 0.000 0.267 174 S C 0.958 175.690 174.600 0.221 0.000 1.276 174 S CA -0.641 57.621 58.200 0.103 0.000 0.998 174 S CB 0.360 63.607 63.200 0.079 0.000 0.953 174 S HN 0.356 nan 8.310 nan 0.000 0.547 175 H N 0.582 119.759 119.070 0.179 0.000 2.423 175 H HA -0.018 4.538 4.556 0.000 0.000 0.297 175 H C 2.373 177.838 175.328 0.228 0.000 1.075 175 H CA 1.461 57.655 56.048 0.244 0.000 1.342 175 H CB -0.011 29.842 29.762 0.150 0.000 1.395 175 H HN 0.628 nan 8.280 nan 0.000 0.530 176 R N 0.472 121.135 120.500 0.271 0.000 2.103 176 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 176 R C 2.158 178.565 176.300 0.179 0.000 1.142 176 R CA 1.482 57.713 56.100 0.217 0.000 0.960 176 R CB -0.414 30.036 30.300 0.250 0.000 0.858 176 R HN 0.308 nan 8.270 nan 0.000 0.439 177 Y N -0.093 120.103 120.300 -0.174 0.000 2.114 177 Y HA -0.301 4.249 4.550 -0.000 0.000 0.282 177 Y C 1.986 177.742 175.900 -0.240 0.000 1.165 177 Y CA 1.852 59.727 58.100 -0.376 0.000 1.148 177 Y CB -0.415 37.608 38.460 -0.728 0.000 0.972 177 Y HN 0.175 nan 8.280 nan 0.000 0.504 178 W N 0.726 122.072 121.300 0.076 0.000 2.436 178 W HA -0.140 4.520 4.660 0.000 0.000 0.284 178 W C 2.234 178.733 176.519 -0.033 0.000 1.225 178 W CA 1.674 59.013 57.345 -0.011 0.000 1.271 178 W CB -0.569 28.918 29.460 0.045 0.000 1.114 178 W HN 0.350 nan 8.180 nan 0.000 0.559 179 Q N -0.128 119.787 119.800 0.191 0.000 2.119 179 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 179 Q C 1.687 177.748 176.000 0.102 0.000 0.972 179 Q CA 1.438 57.335 55.803 0.157 0.000 0.847 179 Q CB -0.220 28.620 28.738 0.170 0.000 0.903 179 Q HN 0.063 nan 8.270 nan 0.000 0.433 180 D N 0.702 121.129 120.400 0.045 0.000 2.084 180 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 180 D C 1.660 177.769 176.300 -0.319 0.000 0.990 180 D CA 1.153 55.170 54.000 0.028 0.000 0.826 180 D CB -0.161 40.745 40.800 0.177 0.000 0.971 180 D HN 0.139 nan 8.370 nan 0.000 0.453 181 K N 0.563 120.443 120.400 -0.867 0.000 2.044 181 K HA -0.289 4.031 4.320 -0.000 0.000 0.210 181 K C 2.122 178.587 176.600 -0.225 0.000 1.049 181 K CA 1.692 57.463 56.287 -0.860 0.000 0.927 181 K CB -0.042 32.066 32.500 -0.653 0.000 0.713 181 K HN -0.115 nan 8.250 nan 0.000 0.443 182 Q N 0.286 120.031 119.800 -0.092 0.000 2.045 182 Q HA -0.230 4.110 4.340 -0.000 0.000 0.206 182 Q C 1.865 177.827 176.000 -0.064 0.000 0.991 182 Q CA 2.419 58.220 55.803 -0.004 0.000 0.851 182 Q CB -0.589 28.183 28.738 0.058 0.000 0.911 182 Q HN 0.485 nan 8.270 nan 0.000 0.418 183 F N -1.137 118.638 119.950 -0.292 0.000 2.095 183 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 183 F C 1.386 176.880 175.800 -0.511 0.000 1.104 183 F CA 1.783 59.459 58.000 -0.539 0.000 1.232 183 F CB -0.454 37.888 39.000 -1.098 0.000 0.987 183 F HN 0.191 nan 8.300 nan 0.000 0.475 184 W N 0.758 121.950 121.300 -0.180 0.000 2.388 184 W HA -0.108 4.552 4.660 0.000 0.000 0.294 184 W C 2.719 179.166 176.519 -0.120 0.000 1.212 184 W CA 1.355 58.608 57.345 -0.153 0.000 1.271 184 W CB -0.823 28.671 29.460 0.057 0.000 1.126 184 W HN 0.112 nan 8.180 nan 0.000 0.535 185 Q N 0.120 119.963 119.800 0.070 0.000 2.061 185 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 185 Q C 2.383 178.377 176.000 -0.010 0.000 0.984 185 Q CA 2.063 57.901 55.803 0.058 0.000 0.846 185 Q CB -0.681 28.084 28.738 0.046 0.000 0.902 185 Q HN 0.334 nan 8.270 nan 0.000 0.421 186 G N -0.760 107.974 108.800 -0.110 0.000 2.403 186 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 186 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 186 G C 1.110 175.935 174.900 -0.125 0.000 1.154 186 G CA 0.553 45.580 45.100 -0.121 0.000 0.784 186 G HN 0.416 nan 8.290 nan 0.000 0.538 187 Y N 1.363 121.401 120.300 -0.437 0.000 2.128 187 Y HA -0.059 4.491 4.550 -0.000 0.000 0.284 187 Y C 2.551 178.407 175.900 -0.074 0.000 1.154 187 Y CA 1.269 59.132 58.100 -0.396 0.000 1.149 187 Y CB -0.236 37.819 38.460 -0.676 0.000 0.976 187 Y HN 0.107 nan 8.280 nan 0.000 0.505 188 L N -0.767 120.487 121.223 0.052 0.000 2.179 188 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 188 L C 2.590 179.484 176.870 0.040 0.000 1.096 188 L CA 1.272 56.150 54.840 0.064 0.000 0.779 188 L CB -0.568 41.547 42.059 0.093 0.000 0.922 188 L HN 0.076 nan 8.230 nan 0.000 0.443 189 R N 1.454 121.965 120.500 0.017 0.000 2.070 189 R HA -0.155 4.185 4.340 -0.000 0.000 0.233 189 R C 1.528 177.820 176.300 -0.013 0.000 1.137 189 R CA 1.719 57.826 56.100 0.012 0.000 0.945 189 R CB -0.149 30.154 30.300 0.005 0.000 0.845 189 R HN 0.342 nan 8.270 nan 0.000 0.430 190 E N 0.257 120.427 120.200 -0.049 0.000 2.452 190 E HA 0.481 4.831 4.350 -0.000 0.000 0.293 190 E C -0.558 175.971 176.600 -0.119 0.000 1.535 190 E CA 0.342 56.698 56.400 -0.073 0.000 1.816 190 E CB 0.134 29.786 29.700 -0.080 0.000 1.494 190 E HN 0.592 nan 8.360 nan 0.000 0.464 191 A N 0.354 123.126 122.820 -0.079 0.000 2.597 191 A HA 0.712 5.032 4.320 -0.000 0.000 0.292 191 A C -3.059 174.530 177.584 0.008 0.000 1.057 191 A CA -1.265 50.708 52.037 -0.108 0.000 0.674 191 A CB 0.945 19.855 19.000 -0.150 0.000 1.278 191 A HN 0.228 nan 8.150 nan 0.000 0.416 192 P HA 0.330 nan 4.420 nan 0.000 0.269 192 P C -0.806 176.669 177.300 0.292 0.000 1.209 192 P CA 0.069 63.211 63.100 0.070 0.000 0.776 192 P CB 0.314 31.994 31.700 -0.033 0.000 0.876 193 D N 0.818 121.356 120.400 0.230 0.000 2.419 193 D HA 0.056 4.696 4.640 -0.000 0.000 0.236 193 D C 0.285 176.764 176.300 0.299 0.000 1.165 193 D CA 0.419 54.558 54.000 0.232 0.000 0.882 193 D CB 0.144 41.042 40.800 0.164 0.000 1.201 193 D HN 0.186 nan 8.370 nan 0.000 0.443 194 L N 0.959 122.243 121.223 0.101 0.000 2.399 194 L HA 0.277 4.617 4.340 -0.000 0.000 0.266 194 L C 0.764 177.733 176.870 0.165 0.000 1.114 194 L CA -0.524 54.271 54.840 -0.075 0.000 0.804 194 L CB 0.966 42.712 42.059 -0.522 0.000 1.146 194 L HN 0.227 nan 8.230 nan 0.000 0.451 195 T N 3.109 117.815 114.554 0.254 0.000 2.817 195 T HA 0.414 4.764 4.350 -0.000 0.000 0.293 195 T C 0.194 175.095 174.700 0.334 0.000 0.964 195 T CA -0.462 61.812 62.100 0.291 0.000 1.085 195 T CB 0.620 69.702 68.868 0.356 0.000 0.921 195 T HN 0.247 nan 8.240 nan 0.000 0.502 196 L N 1.968 123.335 121.223 0.240 0.000 2.454 196 L HA 0.357 4.697 4.340 -0.000 0.000 0.256 196 L C 1.034 177.971 176.870 0.111 0.000 1.136 196 L CA -0.879 54.083 54.840 0.203 0.000 0.804 196 L CB 0.537 42.666 42.059 0.117 0.000 1.181 196 L HN 0.560 nan 8.230 nan 0.000 0.469 197 T N 0.767 115.373 114.554 0.086 0.000 2.884 197 T HA 0.042 4.392 4.350 -0.000 0.000 0.298 197 T C 0.339 175.024 174.700 -0.025 0.000 0.998 197 T CA -0.130 61.989 62.100 0.031 0.000 1.124 197 T CB 0.926 69.834 68.868 0.066 0.000 0.931 197 T HN 0.631 nan 8.240 nan 0.000 0.531 198 S N 2.111 117.748 115.700 -0.106 0.000 2.563 198 S HA 0.199 4.669 4.470 -0.000 0.000 0.284 198 S C 1.550 176.173 174.600 0.037 0.000 1.331 198 S CA -0.245 57.923 58.200 -0.053 0.000 1.047 198 S CB 0.298 63.451 63.200 -0.079 0.000 0.859 198 S HN 0.794 nan 8.310 nan 0.000 0.514 199 A N 3.106 125.941 122.820 0.024 0.000 2.066 199 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 199 A C 1.941 179.553 177.584 0.046 0.000 1.157 199 A CA 1.407 53.464 52.037 0.034 0.000 0.670 199 A CB -0.827 18.183 19.000 0.016 0.000 0.804 199 A HN 1.127 nan 8.150 nan 0.000 0.453 200 T N -4.438 110.148 114.554 0.052 0.000 3.176 200 T HA 0.248 4.598 4.350 -0.000 0.000 0.263 200 T C -0.042 174.710 174.700 0.087 0.000 1.021 200 T CA -0.466 61.663 62.100 0.049 0.000 0.905 200 T CB -0.574 68.310 68.868 0.027 0.000 1.057 200 T HN 0.229 nan 8.240 nan 0.000 0.558 201 Y N 2.802 123.091 120.300 -0.018 0.000 2.404 201 Y HA 0.448 4.999 4.550 0.000 0.000 0.344 201 Y C -0.406 175.493 175.900 -0.001 0.000 0.995 201 Y CA -1.748 56.341 58.100 -0.017 0.000 1.201 201 Y CB 0.562 39.009 38.460 -0.022 0.000 1.151 201 Y HN 0.139 nan 8.280 nan 0.000 0.517 202 D N 8.858 128.875 120.400 -0.639 0.000 2.392 202 D HA 0.266 4.906 4.640 -0.000 0.000 0.228 202 D C -2.064 173.684 176.300 -0.921 0.000 1.074 202 D CA -2.378 51.305 54.000 -0.528 0.000 0.838 202 D CB 2.062 42.723 40.800 -0.231 0.000 1.067 202 D HN 0.333 nan 8.370 nan 0.000 0.511 203 P HA -0.213 nan 4.420 nan 0.000 0.217 203 P C 1.305 178.297 177.300 -0.515 0.000 1.151 203 P CA 1.524 64.207 63.100 -0.695 0.000 0.849 203 P CB 0.112 31.436 31.700 -0.628 0.000 0.787 204 Q N -0.437 119.041 119.800 -0.537 0.000 2.297 204 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 204 Q C 1.552 177.431 176.000 -0.202 0.000 0.962 204 Q CA 1.003 56.610 55.803 -0.327 0.000 0.879 204 Q CB -0.987 27.594 28.738 -0.262 0.000 0.947 204 Q HN 0.272 nan 8.270 nan 0.000 0.462 205 L N 2.206 123.299 121.223 -0.216 0.000 2.675 205 L HA 0.130 4.470 4.340 -0.000 0.000 0.239 205 L C 0.908 177.744 176.870 -0.057 0.000 1.151 205 L CA -0.444 54.325 54.840 -0.117 0.000 0.905 205 L CB -0.136 41.856 42.059 -0.112 0.000 1.057 205 L HN 0.144 nan 8.230 nan 0.000 0.435 206 S N 0.218 115.877 115.700 -0.069 0.000 2.558 206 S HA -0.094 4.376 4.470 -0.000 0.000 0.291 206 S C -0.196 174.440 174.600 0.060 0.000 1.306 206 S CA 0.082 58.295 58.200 0.022 0.000 1.056 206 S CB 0.133 63.328 63.200 -0.010 0.000 0.836 206 S HN 0.473 nan 8.310 nan 0.000 0.504 207 H N 2.165 121.215 119.070 -0.034 0.000 2.974 207 H HA 0.560 5.116 4.556 -0.000 0.000 0.285 207 H C -0.347 174.925 175.328 -0.093 0.000 1.227 207 H CA 0.049 56.061 56.048 -0.060 0.000 1.569 207 H CB 0.394 30.124 29.762 -0.053 0.000 1.648 207 H HN 0.798 nan 8.280 nan 0.000 0.521 208 A N 3.760 126.395 122.820 -0.308 0.000 2.331 208 A HA 0.611 4.931 4.320 -0.000 0.000 0.283 208 A C -0.356 176.998 177.584 -0.383 0.000 1.142 208 A CA 0.020 51.887 52.037 -0.284 0.000 0.812 208 A CB 0.279 19.163 19.000 -0.192 0.000 1.074 208 A HN 0.680 nan 8.150 nan 0.000 0.497 209 V N -0.322 119.346 119.914 -0.410 0.000 2.962 209 V HA 0.958 5.078 4.120 -0.000 0.000 0.313 209 V C -0.238 175.667 176.094 -0.316 0.000 1.099 209 V CA -0.279 61.730 62.300 -0.485 0.000 0.971 209 V CB 1.409 32.690 31.823 -0.902 0.000 1.028 209 V HN 1.227 nan 8.190 nan 0.000 0.430 210 S N 1.880 117.592 115.700 0.019 0.000 2.588 210 S HA 0.899 5.369 4.470 -0.000 0.000 0.269 210 S C -2.046 172.804 174.600 0.417 0.000 1.157 210 S CA -0.486 57.893 58.200 0.300 0.000 0.824 210 S CB 1.782 65.053 63.200 0.118 0.000 1.126 210 S HN 1.226 nan 8.310 nan 0.000 0.464 211 L N 1.791 123.230 121.223 0.360 0.000 2.505 211 L HA 0.717 5.057 4.340 -0.000 0.000 0.259 211 L C -1.104 175.858 176.870 0.154 0.000 0.952 211 L CA 0.038 55.015 54.840 0.229 0.000 0.840 211 L CB 2.362 44.523 42.059 0.168 0.000 1.358 211 L HN 0.666 nan 8.230 nan 0.000 0.409 212 S N 2.399 118.172 115.700 0.121 0.000 2.473 212 S HA 0.617 5.087 4.470 -0.000 0.000 0.307 212 S C -1.708 172.980 174.600 0.146 0.000 1.094 212 S CA -0.343 57.916 58.200 0.098 0.000 1.070 212 S CB 1.330 64.566 63.200 0.060 0.000 1.019 212 S HN 0.433 nan 8.310 nan 0.000 0.480 213 Y N 2.133 122.419 120.300 -0.024 0.000 2.338 213 Y HA 0.456 5.005 4.550 -0.000 0.000 0.333 213 Y C -0.451 175.421 175.900 -0.047 0.000 0.968 213 Y CA -0.695 57.391 58.100 -0.024 0.000 1.123 213 Y CB 0.962 39.412 38.460 -0.016 0.000 1.165 213 Y HN 0.534 nan 8.280 nan 0.000 0.452 214 T N 7.653 121.921 114.554 -0.477 0.000 2.749 214 T HA 0.367 4.717 4.350 -0.000 0.000 0.295 214 T C 0.089 174.276 174.700 -0.855 0.000 0.936 214 T CA -0.355 61.447 62.100 -0.496 0.000 1.060 214 T CB 0.065 68.783 68.868 -0.249 0.000 0.904 214 T HN 0.544 nan 8.240 nan 0.000 0.500 215 L N 4.183 125.009 121.223 -0.661 0.000 2.453 215 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 215 L C 1.407 178.067 176.870 -0.349 0.000 1.182 215 L CA -0.521 53.972 54.840 -0.577 0.000 0.858 215 L CB 0.219 41.992 42.059 -0.476 0.000 1.120 215 L HN 0.655 nan 8.230 nan 0.000 0.474 216 N N 1.635 120.194 118.700 -0.236 0.000 2.454 216 N HA -0.053 4.687 4.740 -0.000 0.000 0.254 216 N C 0.743 176.180 175.510 -0.122 0.000 1.228 216 N CA 0.058 53.035 53.050 -0.121 0.000 0.900 216 N CB 1.206 39.676 38.487 -0.028 0.000 1.089 216 N HN 0.616 nan 8.380 nan 0.000 0.449 217 S N 2.995 118.637 115.700 -0.097 0.000 2.370 217 S HA -0.263 4.207 4.470 -0.000 0.000 0.226 217 S C 2.245 176.796 174.600 -0.081 0.000 1.033 217 S CA 2.022 60.164 58.200 -0.096 0.000 1.011 217 S CB -0.536 62.623 63.200 -0.067 0.000 0.852 217 S HN 0.846 nan 8.310 nan 0.000 0.457 218 Q N 0.778 120.552 119.800 -0.043 0.000 2.181 218 Q HA -0.026 4.314 4.340 -0.000 0.000 0.205 218 Q C 2.141 178.119 176.000 -0.038 0.000 0.980 218 Q CA 1.781 57.577 55.803 -0.012 0.000 0.862 218 Q CB -1.074 27.683 28.738 0.032 0.000 0.905 218 Q HN 0.560 nan 8.270 nan 0.000 0.429 219 L N 0.796 121.981 121.223 -0.064 0.000 2.093 219 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 219 L C 1.829 178.607 176.870 -0.154 0.000 1.085 219 L CA 2.075 56.860 54.840 -0.093 0.000 0.755 219 L CB -0.319 41.686 42.059 -0.090 0.000 0.904 219 L HN 0.433 nan 8.230 nan 0.000 0.435 220 N N -0.230 118.360 118.700 -0.184 0.000 2.120 220 N HA -0.230 4.510 4.740 -0.000 0.000 0.188 220 N C 2.024 177.413 175.510 -0.201 0.000 1.024 220 N CA 1.849 54.757 53.050 -0.237 0.000 0.852 220 N CB -1.061 37.269 38.487 -0.261 0.000 1.003 220 N HN 0.743 nan 8.380 nan 0.000 0.424 221 H N 0.995 119.978 119.070 -0.144 0.000 2.321 221 H HA 0.077 4.633 4.556 -0.000 0.000 0.300 221 H C 2.212 177.467 175.328 -0.121 0.000 1.087 221 H CA 1.597 57.581 56.048 -0.108 0.000 1.319 221 H CB -0.828 28.904 29.762 -0.050 0.000 1.379 221 H HN 0.112 nan 8.280 nan 0.000 0.501 222 L N 0.395 121.517 121.223 -0.169 0.000 2.046 222 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 222 L C 2.514 179.254 176.870 -0.218 0.000 1.077 222 L CA 1.828 56.483 54.840 -0.308 0.000 0.747 222 L CB -0.777 40.989 42.059 -0.489 0.000 0.896 222 L HN 0.555 nan 8.230 nan 0.000 0.432 223 L N -1.175 119.950 121.223 -0.163 0.000 2.012 223 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 223 L C 2.532 179.364 176.870 -0.063 0.000 1.073 223 L CA 1.963 56.741 54.840 -0.103 0.000 0.748 223 L CB -0.279 41.690 42.059 -0.149 0.000 0.891 223 L HN 0.376 nan 8.230 nan 0.000 0.431 224 L N -0.398 120.768 121.223 -0.096 0.000 1.976 224 L HA -0.276 4.064 4.340 -0.000 0.000 0.209 224 L C 2.646 179.503 176.870 -0.020 0.000 1.071 224 L CA 1.381 56.193 54.840 -0.046 0.000 0.746 224 L CB -0.532 41.477 42.059 -0.083 0.000 0.890 224 L HN 0.152 nan 8.230 nan 0.000 0.432 225 K N 0.317 120.690 120.400 -0.044 0.000 2.015 225 K HA -0.216 4.104 4.320 -0.000 0.000 0.216 225 K C 1.950 178.540 176.600 -0.016 0.000 1.052 225 K CA 1.653 57.926 56.287 -0.022 0.000 0.937 225 K CB -0.876 31.608 32.500 -0.027 0.000 0.719 225 K HN 0.105 nan 8.250 nan 0.000 0.446 226 L N -0.057 121.138 121.223 -0.048 0.000 2.051 226 L HA -0.316 4.024 4.340 -0.000 0.000 0.214 226 L C 2.364 179.245 176.870 0.019 0.000 1.076 226 L CA 1.641 56.470 54.840 -0.019 0.000 0.758 226 L CB -0.604 41.436 42.059 -0.032 0.000 0.890 226 L HN 0.296 nan 8.230 nan 0.000 0.433 227 A N -0.060 122.779 122.820 0.032 0.000 1.858 227 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 227 A C 2.096 179.704 177.584 0.040 0.000 1.190 227 A CA 1.947 54.017 52.037 0.054 0.000 0.617 227 A CB -0.652 18.410 19.000 0.103 0.000 0.827 227 A HN 0.465 nan 8.150 nan 0.000 0.443 228 N N 0.538 119.260 118.700 0.036 0.000 2.018 228 N HA -0.193 4.547 4.740 -0.000 0.000 0.196 228 N C 1.922 177.448 175.510 0.025 0.000 1.043 228 N CA 1.802 54.870 53.050 0.030 0.000 0.856 228 N CB -0.710 37.793 38.487 0.026 0.000 1.042 228 N HN 0.462 nan 8.380 nan 0.000 0.423 229 A N 0.926 123.761 122.820 0.026 0.000 2.084 229 A HA -0.116 4.204 4.320 -0.000 0.000 0.221 229 A C 1.585 179.184 177.584 0.025 0.000 1.161 229 A CA 1.288 53.341 52.037 0.027 0.000 0.653 229 A CB -0.281 18.738 19.000 0.032 0.000 0.802 229 A HN 0.346 nan 8.150 nan 0.000 0.457 230 N N -1.291 117.423 118.700 0.023 0.000 2.204 230 N HA 0.213 4.953 4.740 -0.000 0.000 0.219 230 N C 0.593 176.109 175.510 0.009 0.000 1.151 230 N CA 0.891 53.951 53.050 0.017 0.000 0.867 230 N CB 0.593 39.093 38.487 0.021 0.000 1.043 230 N HN 0.671 nan 8.380 nan 0.000 0.516 231 Q N 0.466 120.273 119.800 0.012 0.000 2.453 231 Q HA -0.183 4.157 4.340 -0.000 0.000 0.294 231 Q C 0.013 176.011 176.000 -0.003 0.000 1.295 231 Q CA 1.484 57.291 55.803 0.006 0.000 0.853 231 Q CB -2.860 25.880 28.738 0.004 0.000 1.193 231 Q HN 0.727 nan 8.270 nan 0.000 0.461 232 I N -4.398 116.172 120.570 0.001 0.000 2.969 232 I HA 0.943 5.113 4.170 -0.000 0.000 0.307 232 I C 0.644 176.759 176.117 -0.004 0.000 1.149 232 I CA -1.175 60.118 61.300 -0.013 0.000 1.008 232 I CB 2.332 40.324 38.000 -0.014 0.000 1.232 232 I HN 0.355 nan 8.210 nan 0.000 0.435 233 G N 2.312 111.087 108.800 -0.042 0.000 2.537 233 G HA2 0.169 4.129 3.960 -0.000 0.000 0.273 233 G HA3 0.169 4.129 3.960 -0.000 0.000 0.273 233 G C 0.449 175.324 174.900 -0.042 0.000 1.189 233 G CA -0.354 44.707 45.100 -0.065 0.000 0.881 233 G HN 1.036 nan 8.290 nan 0.000 0.535 234 W N 0.189 121.458 121.300 -0.052 0.000 2.342 234 W HA -0.020 4.640 4.660 -0.000 0.000 0.297 234 W C -1.568 174.900 176.519 -0.084 0.000 1.213 234 W CA 1.167 58.467 57.345 -0.075 0.000 1.251 234 W CB -1.960 27.441 29.460 -0.099 0.000 1.136 234 W HN 0.378 nan 8.180 nan 0.000 0.526 235 P HA -0.154 nan 4.420 nan 0.000 0.214 235 P C 1.316 178.520 177.300 -0.160 0.000 1.163 235 P CA 2.453 65.246 63.100 -0.512 0.000 0.883 235 P CB -0.159 31.101 31.700 -0.733 0.000 0.788 236 D N -1.094 119.231 120.400 -0.123 0.000 2.182 236 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 236 D C 1.928 178.227 176.300 -0.001 0.000 0.986 236 D CA 1.385 55.368 54.000 -0.029 0.000 0.847 236 D CB -0.650 40.134 40.800 -0.027 0.000 0.942 236 D HN 0.050 nan 8.370 nan 0.000 0.467 237 A N 0.336 123.164 122.820 0.014 0.000 1.898 237 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 237 A C 2.343 179.976 177.584 0.081 0.000 1.181 237 A CA 0.724 52.797 52.037 0.060 0.000 0.620 237 A CB -0.658 18.395 19.000 0.088 0.000 0.819 237 A HN 0.220 nan 8.150 nan 0.000 0.442 238 L N -0.393 120.856 121.223 0.043 0.000 2.131 238 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 238 L C 2.464 179.390 176.870 0.093 0.000 1.092 238 L CA 0.873 55.705 54.840 -0.013 0.000 0.759 238 L CB -0.537 41.329 42.059 -0.322 0.000 0.903 238 L HN 0.244 nan 8.230 nan 0.000 0.435 239 V N 0.059 120.027 119.914 0.089 0.000 2.407 239 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 239 V C 2.715 178.885 176.094 0.125 0.000 1.055 239 V CA 1.759 64.135 62.300 0.126 0.000 1.049 239 V CB -0.731 31.142 31.823 0.084 0.000 0.662 239 V HN 0.471 nan 8.190 nan 0.000 0.455 240 A N -0.243 122.643 122.820 0.109 0.000 1.855 240 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 240 A C 2.213 179.946 177.584 0.248 0.000 1.191 240 A CA 1.625 53.746 52.037 0.140 0.000 0.613 240 A CB -0.574 18.488 19.000 0.103 0.000 0.829 240 A HN 0.454 nan 8.150 nan 0.000 0.442 241 L N -0.684 120.682 121.223 0.237 0.000 2.042 241 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 241 L C 2.867 179.821 176.870 0.140 0.000 1.076 241 L CA 1.583 56.588 54.840 0.275 0.000 0.749 241 L CB -0.648 41.629 42.059 0.363 0.000 0.893 241 L HN 0.699 nan 8.230 nan 0.000 0.432 242 C N -0.058 119.356 119.300 0.190 0.000 2.429 242 C HA -0.147 4.313 4.460 -0.000 0.000 0.277 242 C C 3.072 178.050 174.990 -0.020 0.000 1.262 242 C CA 0.820 59.919 59.018 0.135 0.000 1.733 242 C CB -0.760 27.181 27.740 0.335 0.000 2.010 242 C HN 0.561 nan 8.230 nan 0.000 0.483 243 A N -0.025 122.841 122.820 0.077 0.000 1.930 243 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 243 A C 2.056 179.662 177.584 0.036 0.000 1.175 243 A CA 1.650 53.728 52.037 0.069 0.000 0.627 243 A CB -0.752 18.329 19.000 0.135 0.000 0.815 243 A HN 0.623 nan 8.150 nan 0.000 0.443 244 L N -1.194 120.074 121.223 0.074 0.000 2.017 244 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 244 L C 2.324 179.056 176.870 -0.229 0.000 1.073 244 L CA 2.558 57.309 54.840 -0.149 0.000 0.745 244 L CB -1.087 40.894 42.059 -0.130 0.000 0.894 244 L HN 0.558 nan 8.230 nan 0.000 0.432 245 Y N 0.005 119.941 120.300 -0.607 0.000 2.151 245 Y HA -0.242 4.308 4.550 -0.000 0.000 0.284 245 Y C 2.072 177.631 175.900 -0.568 0.000 1.166 245 Y CA 1.994 59.502 58.100 -0.986 0.000 1.163 245 Y CB -0.542 36.851 38.460 -1.778 0.000 0.974 245 Y HN 0.227 nan 8.280 nan 0.000 0.511 246 L N 0.431 121.239 121.223 -0.692 0.000 2.549 246 L HA -0.108 4.232 4.340 -0.000 0.000 0.229 246 L C 2.195 178.851 176.870 -0.358 0.000 1.158 246 L CA 1.099 55.601 54.840 -0.564 0.000 0.842 246 L CB -0.477 41.432 42.059 -0.250 0.000 0.952 246 L HN 0.224 nan 8.230 nan 0.000 0.452 247 E N 0.494 120.512 120.200 -0.303 0.000 2.106 247 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 247 E C 2.271 178.747 176.600 -0.206 0.000 0.984 247 E CA 1.657 57.938 56.400 -0.198 0.000 0.806 247 E CB 0.126 29.724 29.700 -0.170 0.000 0.750 247 E HN 0.479 nan 8.360 nan 0.000 0.458 248 S N -0.551 114.989 115.700 -0.267 0.000 2.398 248 S HA 0.198 4.668 4.470 -0.000 0.000 0.220 248 S C 2.296 176.721 174.600 -0.291 0.000 1.046 248 S CA 0.434 58.500 58.200 -0.224 0.000 0.953 248 S CB -0.451 62.650 63.200 -0.165 0.000 0.856 248 S HN 0.274 nan 8.310 nan 0.000 0.506 249 A N 1.235 123.756 122.820 -0.497 0.000 2.032 249 A HA 0.017 4.337 4.320 -0.000 0.000 0.221 249 A C 1.457 178.843 177.584 -0.330 0.000 1.165 249 A CA 1.690 53.409 52.037 -0.530 0.000 0.645 249 A CB -0.437 17.916 19.000 -1.078 0.000 0.807 249 A HN 0.702 nan 8.150 nan 0.000 0.453 250 E N -1.660 118.393 120.200 -0.244 0.000 3.844 250 E HA 0.099 4.449 4.350 -0.000 0.000 0.260 250 E C -2.130 174.424 176.600 -0.078 0.000 1.163 250 E CA -0.796 55.545 56.400 -0.098 0.000 1.261 250 E CB 0.861 30.610 29.700 0.081 0.000 1.261 250 E HN 0.252 nan 8.360 nan 0.000 0.399 251 P HA -0.202 nan 4.420 nan 0.000 0.217 251 P C 0.439 177.711 177.300 -0.047 0.000 1.148 251 P CA 1.114 64.163 63.100 -0.085 0.000 0.834 251 P CB 0.319 31.966 31.700 -0.088 0.000 0.783 252 D N -0.053 120.335 120.400 -0.021 0.000 2.371 252 D HA 0.065 4.705 4.640 -0.000 0.000 0.221 252 D C 0.844 177.178 176.300 0.056 0.000 0.986 252 D CA 0.485 54.492 54.000 0.013 0.000 0.899 252 D CB -0.051 40.764 40.800 0.025 0.000 0.902 252 D HN 0.203 nan 8.370 nan 0.000 0.530 253 A N 2.181 125.043 122.820 0.069 0.000 2.444 253 A HA 0.323 4.643 4.320 -0.000 0.000 0.332 253 A C -1.375 176.243 177.584 0.056 0.000 1.430 253 A CA -1.139 50.980 52.037 0.137 0.000 0.975 253 A CB 0.941 20.064 19.000 0.204 0.000 1.147 253 A HN -0.107 nan 8.150 nan 0.000 0.524 254 P HA -0.028 nan 4.420 nan 0.000 0.231 254 P C -0.325 176.748 177.300 -0.378 0.000 1.168 254 P CA 0.703 63.642 63.100 -0.268 0.000 0.779 254 P CB 0.170 31.612 31.700 -0.431 0.000 0.844 255 W N 0.074 121.371 121.300 -0.005 0.000 2.627 255 W HA 0.585 5.245 4.660 -0.000 0.000 0.339 255 W C -0.203 176.312 176.519 -0.006 0.000 1.058 255 W CA -0.801 56.499 57.345 -0.075 0.000 1.223 255 W CB 1.535 30.895 29.460 -0.166 0.000 1.389 255 W HN -0.307 nan 8.180 nan 0.000 0.541 256 L N 2.534 123.880 121.223 0.205 0.000 2.376 256 L HA 0.460 4.800 4.340 -0.000 0.000 0.275 256 L C -1.438 175.470 176.870 0.065 0.000 0.987 256 L CA -0.728 54.220 54.840 0.180 0.000 0.828 256 L CB 0.962 43.101 42.059 0.133 0.000 1.249 256 L HN 0.567 nan 8.230 nan 0.000 0.409 257 W N 5.568 126.881 121.300 0.021 0.000 2.376 257 W HA 0.595 5.255 4.660 0.000 0.000 0.322 257 W C -0.436 175.750 176.519 -0.556 0.000 1.160 257 W CA -0.109 57.151 57.345 -0.142 0.000 1.218 257 W CB 1.099 30.555 29.460 -0.006 0.000 1.205 257 W HN 0.224 nan 8.180 nan 0.000 0.559 258 L N 4.683 125.797 121.223 -0.180 0.000 2.333 258 L HA 0.614 4.954 4.340 -0.000 0.000 0.263 258 L C -2.291 174.585 176.870 0.011 0.000 1.014 258 L CA -2.299 52.412 54.840 -0.216 0.000 0.820 258 L CB 2.686 44.787 42.059 0.070 0.000 1.352 258 L HN 0.109 nan 8.230 nan 0.000 0.421 259 P HA 0.217 nan 4.420 nan 0.000 0.304 259 P C -1.308 176.202 177.300 0.350 0.000 1.385 259 P CA -0.396 62.918 63.100 0.358 0.000 0.896 259 P CB 1.242 33.215 31.700 0.455 0.000 0.958 260 F N 5.633 125.716 119.950 0.222 0.000 2.391 260 F HA 0.240 4.767 4.527 0.000 0.000 0.359 260 F C 1.366 177.206 175.800 0.067 0.000 1.122 260 F CA -1.138 56.949 58.000 0.145 0.000 1.120 260 F CB 0.862 40.018 39.000 0.260 0.000 1.142 260 F HN 0.116 nan 8.300 nan 0.000 0.483 261 M N 3.403 122.678 119.600 -0.542 0.000 2.144 261 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 261 M C 1.175 176.982 176.300 -0.822 0.000 1.067 261 M CA 1.383 56.341 55.300 -0.569 0.000 1.095 261 M CB -1.453 30.818 32.600 -0.549 0.000 1.365 261 M HN 0.834 nan 8.290 nan 0.000 0.406 262 N N -0.315 117.407 118.700 -1.630 0.000 2.776 262 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 262 N C 0.367 175.607 175.510 -0.452 0.000 1.111 262 N CA 0.627 53.065 53.050 -1.020 0.000 0.711 262 N CB -0.394 37.821 38.487 -0.455 0.000 1.065 262 N HN 0.354 nan 8.380 nan 0.000 0.556 263 R N -1.609 118.613 120.500 -0.465 0.000 2.279 263 R HA 0.104 4.444 4.340 -0.000 0.000 0.195 263 R C 0.355 176.629 176.300 -0.044 0.000 0.905 263 R CA -0.188 55.729 56.100 -0.304 0.000 1.044 263 R CB -0.083 29.842 30.300 -0.624 0.000 1.056 263 R HN 0.338 nan 8.270 nan 0.000 0.535 264 W N 3.394 124.588 121.300 -0.176 0.000 2.443 264 W HA 0.123 4.783 4.660 -0.000 0.000 0.335 264 W C 0.963 177.492 176.519 0.018 0.000 1.382 264 W CA 1.337 58.669 57.345 -0.022 0.000 1.305 264 W CB -0.163 29.355 29.460 0.097 0.000 1.283 264 W HN 0.567 nan 8.180 nan 0.000 0.567 265 G N 3.726 112.539 108.800 0.022 0.000 2.187 265 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.261 265 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.261 265 G C 0.186 175.034 174.900 -0.087 0.000 1.000 265 G CA 0.576 45.575 45.100 -0.168 0.000 0.718 265 G HN 1.001 nan 8.290 nan 0.000 0.519 266 S N -2.091 113.600 115.700 -0.015 0.000 2.600 266 S HA 0.589 5.059 4.470 -0.000 0.000 0.300 266 S C 1.193 175.817 174.600 0.041 0.000 1.087 266 S CA 0.327 58.533 58.200 0.009 0.000 0.965 266 S CB 2.015 65.232 63.200 0.028 0.000 1.089 266 S HN 1.053 nan 8.310 nan 0.000 0.496 267 V N 3.523 123.475 119.914 0.064 0.000 3.078 267 V HA 0.048 4.168 4.120 -0.000 0.000 0.265 267 V C 2.222 178.362 176.094 0.077 0.000 1.122 267 V CA 2.247 64.591 62.300 0.073 0.000 1.141 267 V CB -0.997 30.870 31.823 0.074 0.000 0.735 267 V HN 0.923 nan 8.190 nan 0.000 0.498 268 A N -0.232 122.632 122.820 0.073 0.000 2.121 268 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 268 A C 2.295 179.850 177.584 -0.048 0.000 1.154 268 A CA 1.429 53.428 52.037 -0.063 0.000 0.679 268 A CB -0.561 18.339 19.000 -0.166 0.000 0.795 268 A HN 0.791 nan 8.150 nan 0.000 0.458 269 A N -0.170 122.658 122.820 0.013 0.000 2.172 269 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 269 A C 1.029 178.692 177.584 0.131 0.000 1.154 269 A CA 1.322 53.405 52.037 0.076 0.000 0.701 269 A CB -0.403 18.651 19.000 0.090 0.000 0.789 269 A HN 0.625 nan 8.150 nan 0.000 0.465 270 N N -1.215 117.547 118.700 0.104 0.000 2.433 270 N HA 0.358 5.098 4.740 -0.000 0.000 0.270 270 N C -1.321 174.263 175.510 0.123 0.000 1.354 270 N CA 0.014 53.177 53.050 0.188 0.000 0.889 270 N CB 1.830 40.422 38.487 0.175 0.000 1.285 270 N HN 0.029 nan 8.380 nan 0.000 0.503 271 V N 1.148 121.023 119.914 -0.065 0.000 2.568 271 V HA 0.358 4.478 4.120 -0.000 0.000 0.276 271 V C -2.550 173.362 176.094 -0.303 0.000 1.002 271 V CA -1.602 60.594 62.300 -0.174 0.000 0.879 271 V CB 1.771 33.569 31.823 -0.043 0.000 1.040 271 V HN -0.018 nan 8.190 nan 0.000 0.457 272 P HA 0.485 nan 4.420 nan 0.000 0.265 272 P C 0.487 177.623 177.300 -0.274 0.000 1.193 272 P CA 0.773 63.602 63.100 -0.451 0.000 0.765 272 P CB 1.003 32.289 31.700 -0.690 0.000 0.823 273 G N 1.818 110.515 108.800 -0.171 0.000 2.335 273 G HA2 0.342 4.302 3.960 -0.000 0.000 0.291 273 G HA3 0.342 4.302 3.960 -0.000 0.000 0.291 273 G C -2.167 172.685 174.900 -0.079 0.000 1.261 273 G CA -0.631 44.403 45.100 -0.110 0.000 0.871 273 G HN 0.524 nan 8.290 nan 0.000 0.491 274 L N 0.343 121.551 121.223 -0.025 0.000 2.262 274 L HA 0.862 5.202 4.340 -0.000 0.000 0.288 274 L C 0.385 177.273 176.870 0.029 0.000 1.035 274 L CA -0.213 54.637 54.840 0.017 0.000 0.820 274 L CB 1.003 43.103 42.059 0.068 0.000 1.204 274 L HN 0.588 nan 8.230 nan 0.000 0.424 275 M N 4.099 123.698 119.600 -0.002 0.000 2.139 275 M HA 0.256 4.736 4.480 -0.000 0.000 0.343 275 M C 0.033 176.337 176.300 0.007 0.000 0.886 275 M CA -0.015 55.276 55.300 -0.015 0.000 1.134 275 M CB 0.570 33.074 32.600 -0.161 0.000 2.064 275 M HN 0.256 nan 8.290 nan 0.000 0.699 276 V N 2.761 122.697 119.914 0.036 0.000 2.814 276 V HA 0.088 4.208 4.120 -0.000 0.000 0.307 276 V C -0.481 175.703 176.094 0.149 0.000 1.089 276 V CA 0.601 62.942 62.300 0.068 0.000 1.212 276 V CB 0.427 32.341 31.823 0.153 0.000 0.912 276 V HN 0.553 nan 8.190 nan 0.000 0.497 277 N N 3.566 122.372 118.700 0.177 0.000 2.295 277 N HA 0.411 5.151 4.740 -0.000 0.000 0.293 277 N C -1.112 174.590 175.510 0.319 0.000 1.040 277 N CA -0.328 52.865 53.050 0.239 0.000 0.840 277 N CB 2.224 40.862 38.487 0.251 0.000 1.468 277 N HN 0.628 nan 8.380 nan 0.000 0.478 278 S N 2.708 118.604 115.700 0.327 0.000 2.465 278 S HA 0.546 5.016 4.470 -0.000 0.000 0.279 278 S C -0.364 174.517 174.600 0.468 0.000 1.201 278 S CA -0.527 57.951 58.200 0.463 0.000 1.053 278 S CB 0.027 63.506 63.200 0.464 0.000 0.953 278 S HN 0.390 nan 8.310 nan 0.000 0.488 279 L N 5.080 126.549 121.223 0.409 0.000 2.370 279 L HA 0.605 4.945 4.340 -0.000 0.000 0.266 279 L C -2.487 174.301 176.870 -0.137 0.000 1.002 279 L CA -2.415 52.502 54.840 0.128 0.000 0.818 279 L CB 2.588 44.738 42.059 0.153 0.000 1.325 279 L HN 0.358 nan 8.230 nan 0.000 0.418 280 P HA 0.269 nan 4.420 nan 0.000 0.296 280 P C -1.301 176.044 177.300 0.074 0.000 1.306 280 P CA -0.559 61.997 63.100 -0.907 0.000 0.818 280 P CB 2.219 32.768 31.700 -1.918 0.000 0.969 281 L N 5.030 126.362 121.223 0.183 0.000 2.282 281 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 281 L C -0.860 176.194 176.870 0.307 0.000 1.033 281 L CA -0.885 54.145 54.840 0.317 0.000 0.807 281 L CB 0.955 43.087 42.059 0.121 0.000 1.209 281 L HN 0.158 nan 8.230 nan 0.000 0.423 282 L N 5.917 127.215 121.223 0.125 0.000 2.315 282 L HA 0.419 4.759 4.340 -0.000 0.000 0.283 282 L C 0.153 176.858 176.870 -0.276 0.000 1.089 282 L CA 0.246 54.740 54.840 -0.575 0.000 0.833 282 L CB 0.214 41.718 42.059 -0.925 0.000 1.170 282 L HN 0.637 nan 8.230 nan 0.000 0.442 283 R N 4.192 124.537 120.500 -0.258 0.000 2.537 283 R HA 0.248 4.588 4.340 -0.000 0.000 0.280 283 R C -0.598 175.628 176.300 -0.123 0.000 1.058 283 R CA -0.779 55.248 56.100 -0.120 0.000 1.057 283 R CB 0.282 30.549 30.300 -0.056 0.000 0.973 283 R HN 0.398 nan 8.270 nan 0.000 0.438 284 L N 1.362 122.532 121.223 -0.089 0.000 2.436 284 L HA 0.082 4.422 4.340 -0.000 0.000 0.265 284 L C 0.890 177.849 176.870 0.147 0.000 1.168 284 L CA 0.582 55.380 54.840 -0.071 0.000 0.815 284 L CB 1.234 43.131 42.059 -0.271 0.000 1.109 284 L HN 0.598 nan 8.230 nan 0.000 0.462 285 S N 1.078 116.835 115.700 0.095 0.000 2.585 285 S HA 0.417 4.887 4.470 -0.000 0.000 0.273 285 S C 0.926 175.656 174.600 0.217 0.000 1.339 285 S CA 0.023 58.285 58.200 0.102 0.000 1.028 285 S CB 0.908 64.121 63.200 0.020 0.000 0.906 285 S HN 0.709 nan 8.310 nan 0.000 0.528 286 A N 2.658 125.513 122.820 0.058 0.000 2.220 286 A HA 0.385 4.705 4.320 -0.000 0.000 0.211 286 A C 1.232 178.808 177.584 -0.014 0.000 1.176 286 A CA 0.694 52.696 52.037 -0.058 0.000 0.834 286 A CB -0.933 17.930 19.000 -0.230 0.000 0.868 286 A HN 1.139 nan 8.150 nan 0.000 0.488 287 Q N -0.501 119.299 119.800 0.000 0.000 2.313 287 Q HA 0.476 4.816 4.340 -0.000 0.000 0.266 287 Q C 0.235 176.243 176.000 0.013 0.000 0.989 287 Q CA 0.186 55.986 55.803 -0.004 0.000 0.890 287 Q CB -0.322 28.408 28.738 -0.013 0.000 1.200 287 Q HN 0.580 nan 8.270 nan 0.000 0.396 288 Q N -0.126 119.678 119.800 0.008 0.000 2.464 288 Q HA -0.112 4.228 4.340 -0.000 0.000 0.304 288 Q C -0.662 175.355 176.000 0.028 0.000 1.401 288 Q CA 1.437 57.248 55.803 0.013 0.000 0.806 288 Q CB -1.895 26.848 28.738 0.007 0.000 1.134 288 Q HN 0.991 nan 8.270 nan 0.000 0.411 289 T N -1.403 113.173 114.554 0.038 0.000 2.893 289 T HA 0.535 4.885 4.350 -0.000 0.000 0.337 289 T C -0.581 174.156 174.700 0.061 0.000 1.587 289 T CA -0.429 61.709 62.100 0.063 0.000 1.066 289 T CB 1.443 70.383 68.868 0.120 0.000 1.414 289 T HN 0.193 nan 8.240 nan 0.000 0.488 290 S N 0.984 116.725 115.700 0.068 0.000 2.646 290 S HA 0.519 4.989 4.470 -0.000 0.000 0.276 290 S C 1.313 175.972 174.600 0.099 0.000 1.222 290 S CA -0.877 57.360 58.200 0.062 0.000 1.014 290 S CB 0.983 64.213 63.200 0.051 0.000 0.991 290 S HN 0.690 nan 8.310 nan 0.000 0.533 291 L N 2.388 123.657 121.223 0.076 0.000 2.042 291 L HA 0.090 4.430 4.340 -0.000 0.000 0.210 291 L C 2.279 179.234 176.870 0.140 0.000 1.076 291 L CA 2.532 57.434 54.840 0.102 0.000 0.749 291 L CB -1.433 40.661 42.059 0.059 0.000 0.893 291 L HN 0.944 nan 8.230 nan 0.000 0.432 292 G N -1.068 107.789 108.800 0.095 0.000 2.446 292 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.217 292 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.217 292 G C 1.461 176.409 174.900 0.079 0.000 1.168 292 G CA 1.093 46.241 45.100 0.079 0.000 0.771 292 G HN 0.643 nan 8.290 nan 0.000 0.551 293 N N -0.304 118.446 118.700 0.082 0.000 2.331 293 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 293 N C 2.040 177.591 175.510 0.070 0.000 1.019 293 N CA 1.278 54.365 53.050 0.061 0.000 0.881 293 N CB -0.574 37.945 38.487 0.054 0.000 0.972 293 N HN 0.498 nan 8.380 nan 0.000 0.435 294 Y N 0.895 121.201 120.300 0.010 0.000 2.133 294 Y HA 0.021 4.571 4.550 -0.000 0.000 0.287 294 Y C 2.310 178.217 175.900 0.012 0.000 1.134 294 Y CA 1.454 59.560 58.100 0.010 0.000 1.133 294 Y CB -0.215 38.258 38.460 0.021 0.000 0.987 294 Y HN 0.262 nan 8.280 nan 0.000 0.502 295 L N 0.119 121.430 121.223 0.148 0.000 1.989 295 L HA -0.296 4.044 4.340 -0.000 0.000 0.211 295 L C 2.793 179.649 176.870 -0.024 0.000 1.071 295 L CA 2.089 56.970 54.840 0.068 0.000 0.749 295 L CB -1.385 40.734 42.059 0.100 0.000 0.890 295 L HN 0.236 nan 8.230 nan 0.000 0.431 296 K N 0.274 120.667 120.400 -0.011 0.000 2.020 296 K HA -0.263 4.057 4.320 -0.000 0.000 0.212 296 K C 1.902 178.459 176.600 -0.071 0.000 1.050 296 K CA 2.147 58.416 56.287 -0.030 0.000 0.929 296 K CB -1.186 31.307 32.500 -0.012 0.000 0.714 296 K HN 0.510 nan 8.250 nan 0.000 0.443 297 Q N -0.089 119.651 119.800 -0.100 0.000 2.224 297 Q HA -0.022 4.318 4.340 -0.000 0.000 0.203 297 Q C 2.526 178.412 176.000 -0.190 0.000 0.970 297 Q CA 1.364 57.087 55.803 -0.134 0.000 0.865 297 Q CB 0.111 28.767 28.738 -0.138 0.000 0.922 297 Q HN 0.606 nan 8.270 nan 0.000 0.445 298 S N 0.113 115.661 115.700 -0.254 0.000 2.357 298 S HA -0.071 4.399 4.470 -0.000 0.000 0.221 298 S C 1.963 176.466 174.600 -0.162 0.000 1.031 298 S CA 0.955 59.002 58.200 -0.255 0.000 0.982 298 S CB -0.464 62.557 63.200 -0.298 0.000 0.853 298 S HN 0.630 nan 8.310 nan 0.000 0.458 299 G N 1.329 110.054 108.800 -0.125 0.000 2.469 299 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 299 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 299 G C 1.321 176.141 174.900 -0.134 0.000 1.136 299 G CA 0.856 45.890 45.100 -0.111 0.000 0.759 299 G HN 0.500 nan 8.290 nan 0.000 0.562 300 Q N 0.083 119.814 119.800 -0.116 0.000 2.079 300 Q HA 0.078 4.418 4.340 -0.000 0.000 0.200 300 Q C 3.050 178.971 176.000 -0.132 0.000 0.974 300 Q CA 1.107 56.846 55.803 -0.107 0.000 0.840 300 Q CB -0.257 28.435 28.738 -0.077 0.000 0.898 300 Q HN 0.478 nan 8.270 nan 0.000 0.430 301 A N 0.989 123.731 122.820 -0.130 0.000 1.902 301 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 301 A C 2.047 179.520 177.584 -0.186 0.000 1.181 301 A CA 1.155 53.122 52.037 -0.117 0.000 0.623 301 A CB -0.615 18.337 19.000 -0.079 0.000 0.818 301 A HN 0.289 nan 8.150 nan 0.000 0.443 302 I N -1.262 119.164 120.570 -0.240 0.000 2.179 302 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 302 I C 2.670 178.378 176.117 -0.681 0.000 1.088 302 I CA 1.729 62.779 61.300 -0.416 0.000 1.357 302 I CB -0.275 37.496 38.000 -0.381 0.000 1.051 302 I HN 0.301 nan 8.210 nan 0.000 0.409 303 R N 0.852 121.069 120.500 -0.471 0.000 2.103 303 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 303 R C 2.478 178.610 176.300 -0.279 0.000 1.142 303 R CA 2.074 57.962 56.100 -0.353 0.000 0.960 303 R CB -0.670 29.537 30.300 -0.155 0.000 0.858 303 R HN 0.246 nan 8.270 nan 0.000 0.439 304 S N -0.390 115.158 115.700 -0.253 0.000 2.383 304 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 304 S C 1.815 176.209 174.600 -0.344 0.000 1.030 304 S CA 1.410 59.455 58.200 -0.258 0.000 1.002 304 S CB -0.245 62.836 63.200 -0.198 0.000 0.829 304 S HN 0.402 nan 8.310 nan 0.000 0.467 305 L N -0.324 120.705 121.223 -0.322 0.000 2.027 305 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 305 L C 2.351 179.169 176.870 -0.087 0.000 1.074 305 L CA 1.682 56.441 54.840 -0.136 0.000 0.745 305 L CB -0.862 41.172 42.059 -0.042 0.000 0.898 305 L HN 0.450 nan 8.230 nan 0.000 0.433 306 Y N -0.052 120.047 120.300 -0.335 0.000 2.181 306 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 306 Y C 2.580 178.216 175.900 -0.441 0.000 1.146 306 Y CA 0.360 58.006 58.100 -0.757 0.000 1.164 306 Y CB -0.260 37.903 38.460 -0.496 0.000 0.982 306 Y HN 0.128 nan 8.280 nan 0.000 0.515 307 L N -0.837 120.334 121.223 -0.086 0.000 2.131 307 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 307 L C 1.119 177.681 176.870 -0.513 0.000 1.092 307 L CA 1.448 56.122 54.840 -0.277 0.000 0.759 307 L CB -0.414 41.393 42.059 -0.420 0.000 0.903 307 L HN 0.369 nan 8.230 nan 0.000 0.435 308 H N -1.830 117.083 119.070 -0.263 0.000 2.594 308 H HA 0.180 4.736 4.556 -0.000 0.000 0.279 308 H C 1.966 177.537 175.328 0.405 0.000 1.042 308 H CA 0.359 56.355 56.048 -0.087 0.000 1.177 308 H CB 0.171 29.535 29.762 -0.663 0.000 1.524 308 H HN 0.136 nan 8.280 nan 0.000 0.537 309 G N 0.660 109.633 108.800 0.288 0.000 2.498 309 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 309 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 309 G C 1.652 176.874 174.900 0.536 0.000 1.119 309 G CA 0.294 45.624 45.100 0.384 0.000 0.766 309 G HN 0.339 nan 8.290 nan 0.000 0.552 310 R N -1.159 119.568 120.500 0.378 0.000 2.299 310 R HA 0.080 4.420 4.340 -0.000 0.000 0.197 310 R C -0.046 176.382 176.300 0.213 0.000 0.971 310 R CA -0.446 55.747 56.100 0.155 0.000 1.030 310 R CB -0.185 29.930 30.300 -0.309 0.000 0.932 310 R HN 0.314 nan 8.270 nan 0.000 0.477 311 Y N 2.412 122.883 120.300 0.284 0.000 2.480 311 Y HA 0.116 4.666 4.550 0.000 0.000 0.341 311 Y C -0.169 175.798 175.900 0.112 0.000 1.031 311 Y CA -0.572 57.694 58.100 0.276 0.000 1.295 311 Y CB 0.373 39.023 38.460 0.318 0.000 1.162 311 Y HN -0.130 nan 8.280 nan 0.000 0.523 312 R N 5.930 126.363 120.500 -0.112 0.000 2.522 312 R HA -0.055 4.285 4.340 -0.000 0.000 0.284 312 R C 1.242 177.484 176.300 -0.097 0.000 1.032 312 R CA 0.099 56.159 56.100 -0.066 0.000 1.049 312 R CB 0.497 30.769 30.300 -0.047 0.000 0.956 312 R HN 0.920 nan 8.270 nan 0.000 0.422 313 I N 3.404 123.965 120.570 -0.016 0.000 2.361 313 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 313 I C 1.364 177.515 176.117 0.056 0.000 1.133 313 I CA 1.687 63.005 61.300 0.031 0.000 1.413 313 I CB 0.058 38.145 38.000 0.146 0.000 1.073 313 I HN 0.567 nan 8.210 nan 0.000 0.424 314 E N -0.129 120.079 120.200 0.013 0.000 2.110 314 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 314 E C 2.074 178.660 176.600 -0.023 0.000 0.988 314 E CA 1.297 57.689 56.400 -0.013 0.000 0.804 314 E CB -0.328 29.365 29.700 -0.012 0.000 0.745 314 E HN 0.523 nan 8.360 nan 0.000 0.458 315 Q N 0.530 120.293 119.800 -0.062 0.000 2.079 315 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 315 Q C 1.936 177.958 176.000 0.036 0.000 0.974 315 Q CA 1.351 57.099 55.803 -0.091 0.000 0.840 315 Q CB -0.214 28.294 28.738 -0.382 0.000 0.898 315 Q HN 0.352 nan 8.270 nan 0.000 0.430 316 I N 0.452 121.078 120.570 0.092 0.000 2.163 316 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 316 I C 2.126 178.358 176.117 0.192 0.000 1.085 316 I CA 1.711 63.148 61.300 0.228 0.000 1.347 316 I CB -0.463 37.650 38.000 0.189 0.000 1.044 316 I HN 0.353 nan 8.210 nan 0.000 0.408 317 E N 0.539 120.800 120.200 0.102 0.000 2.086 317 E HA -0.319 4.031 4.350 -0.000 0.000 0.200 317 E C 2.232 178.815 176.600 -0.029 0.000 1.012 317 E CA 1.529 57.866 56.400 -0.105 0.000 0.812 317 E CB -0.218 29.312 29.700 -0.283 0.000 0.743 317 E HN 0.572 nan 8.360 nan 0.000 0.453 318 Q N 0.400 120.206 119.800 0.011 0.000 2.084 318 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 318 Q C 1.841 177.891 176.000 0.082 0.000 0.978 318 Q CA 1.351 57.176 55.803 0.037 0.000 0.844 318 Q CB -0.038 28.728 28.738 0.047 0.000 0.898 318 Q HN 0.256 nan 8.270 nan 0.000 0.426 319 D N 0.356 120.833 120.400 0.128 0.000 2.182 319 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 319 D C 1.462 177.848 176.300 0.142 0.000 0.986 319 D CA 1.004 55.100 54.000 0.160 0.000 0.847 319 D CB -0.059 40.874 40.800 0.223 0.000 0.942 319 D HN 0.175 nan 8.370 nan 0.000 0.467 320 Q N -0.571 119.318 119.800 0.147 0.000 2.322 320 Q HA 0.198 4.538 4.340 -0.000 0.000 0.203 320 Q C 1.271 177.332 176.000 0.103 0.000 0.923 320 Q CA 0.540 56.432 55.803 0.149 0.000 0.949 320 Q CB 0.787 29.663 28.738 0.231 0.000 1.039 320 Q HN 0.369 nan 8.270 nan 0.000 0.496 321 G N 0.634 109.478 108.800 0.074 0.000 2.199 321 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.254 321 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.254 321 G C 0.365 175.278 174.900 0.023 0.000 0.982 321 G CA 0.093 45.224 45.100 0.052 0.000 0.632 321 G HN 0.332 nan 8.290 nan 0.000 0.529 322 L N 1.214 122.431 121.223 -0.011 0.000 2.499 322 L HA 0.258 4.598 4.340 -0.000 0.000 0.281 322 L C 1.080 177.930 176.870 -0.033 0.000 1.234 322 L CA 0.320 55.129 54.840 -0.051 0.000 0.839 322 L CB -0.047 41.917 42.059 -0.158 0.000 1.104 322 L HN 0.601 nan 8.230 nan 0.000 0.500 323 N N 0.916 119.600 118.700 -0.027 0.000 2.447 323 N HA 0.365 5.105 4.740 -0.000 0.000 0.271 323 N C 0.597 176.092 175.510 -0.024 0.000 1.226 323 N CA -0.133 52.909 53.050 -0.014 0.000 0.980 323 N CB 0.755 39.239 38.487 -0.004 0.000 1.206 323 N HN 0.589 nan 8.380 nan 0.000 0.558 324 A N -0.262 122.551 122.820 -0.011 0.000 1.940 324 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 324 A C 1.442 179.014 177.584 -0.019 0.000 1.176 324 A CA 1.543 53.573 52.037 -0.012 0.000 0.631 324 A CB -0.874 18.128 19.000 0.002 0.000 0.814 324 A HN 0.761 nan 8.150 nan 0.000 0.446 325 E N 0.348 120.539 120.200 -0.015 0.000 2.512 325 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 325 E C 0.419 177.008 176.600 -0.018 0.000 1.083 325 E CA 0.302 56.694 56.400 -0.013 0.000 0.873 325 E CB -0.046 29.649 29.700 -0.008 0.000 0.897 325 E HN 0.757 nan 8.360 nan 0.000 0.514 326 Q N -0.465 119.311 119.800 -0.039 0.000 2.297 326 Q HA 0.667 5.007 4.340 -0.000 0.000 0.269 326 Q C -0.548 175.388 176.000 -0.107 0.000 1.051 326 Q CA -0.815 54.953 55.803 -0.058 0.000 0.869 326 Q CB 2.247 30.946 28.738 -0.065 0.000 1.346 326 Q HN 0.117 nan 8.270 nan 0.000 0.457 327 S N -0.721 114.907 115.700 -0.119 0.000 2.588 327 S HA 0.477 4.947 4.470 -0.000 0.000 0.269 327 S C -1.500 173.028 174.600 -0.119 0.000 1.157 327 S CA -0.891 57.205 58.200 -0.173 0.000 0.824 327 S CB 0.398 63.539 63.200 -0.098 0.000 1.126 327 S HN 0.511 nan 8.310 nan 0.000 0.464 328 Y N 0.640 120.913 120.300 -0.045 0.000 2.304 328 Y HA 0.464 5.014 4.550 -0.000 0.000 0.327 328 Y C 0.218 176.038 175.900 -0.134 0.000 1.209 328 Y CA -0.777 57.294 58.100 -0.048 0.000 1.299 328 Y CB 0.663 39.094 38.460 -0.048 0.000 1.249 328 Y HN 0.683 nan 8.280 nan 0.000 0.519 329 F N 4.442 124.371 119.950 -0.036 0.000 2.423 329 F HA 0.286 4.813 4.527 -0.000 0.000 0.356 329 F C -0.151 175.398 175.800 -0.417 0.000 1.170 329 F CA -1.147 56.746 58.000 -0.178 0.000 1.163 329 F CB 0.007 38.974 39.000 -0.055 0.000 1.318 329 F HN 0.432 nan 8.300 nan 0.000 0.569 330 M N 5.064 124.066 119.600 -0.998 0.000 3.596 330 M HA 0.109 4.589 4.480 -0.000 0.000 0.212 330 M C 0.011 175.752 176.300 -0.933 0.000 1.519 330 M CA 0.364 54.656 55.300 -1.680 0.000 1.670 330 M CB -0.480 31.364 32.600 -1.259 0.000 1.113 330 M HN 0.491 nan 8.290 nan 0.000 0.565 331 S N 1.368 116.666 115.700 -0.670 0.000 2.536 331 S HA 0.663 5.133 4.470 -0.000 0.000 0.271 331 S C -2.680 172.052 174.600 0.219 0.000 1.134 331 S CA -1.348 56.686 58.200 -0.277 0.000 0.897 331 S CB 1.756 64.467 63.200 -0.815 0.000 1.094 331 S HN 0.254 nan 8.310 nan 0.000 0.473 332 P HA 0.318 nan 4.420 nan 0.000 0.272 332 P C -1.260 176.253 177.300 0.355 0.000 1.223 332 P CA -0.232 63.004 63.100 0.228 0.000 0.784 332 P CB 0.304 32.205 31.700 0.336 0.000 0.923 333 F N 1.999 122.005 119.950 0.093 0.000 2.540 333 F HA 0.601 5.128 4.527 0.000 0.000 0.317 333 F C -0.599 175.343 175.800 0.236 0.000 1.104 333 F CA -1.074 57.028 58.000 0.170 0.000 0.913 333 F CB 1.529 40.535 39.000 0.010 0.000 1.170 333 F HN 0.174 nan 8.300 nan 0.000 0.450 334 I N 5.602 126.215 120.570 0.071 0.000 2.569 334 I HA 0.452 4.622 4.170 -0.000 0.000 0.296 334 I C -1.515 174.758 176.117 0.260 0.000 1.028 334 I CA -0.545 60.938 61.300 0.306 0.000 1.082 334 I CB 1.281 39.489 38.000 0.346 0.000 1.264 334 I HN 0.553 nan 8.210 nan 0.000 0.429 335 N N 7.545 126.484 118.700 0.398 0.000 2.249 335 N HA 0.489 5.229 4.740 -0.000 0.000 0.296 335 N C -1.468 174.243 175.510 0.335 0.000 1.051 335 N CA -0.427 52.844 53.050 0.369 0.000 0.815 335 N CB 2.556 41.272 38.487 0.380 0.000 1.487 335 N HN 0.369 nan 8.380 nan 0.000 0.475 336 I N 3.439 124.155 120.570 0.243 0.000 2.389 336 I HA 0.372 4.542 4.170 -0.000 0.000 0.288 336 I C -0.189 175.990 176.117 0.103 0.000 0.999 336 I CA -0.433 60.987 61.300 0.200 0.000 1.129 336 I CB 1.420 39.440 38.000 0.034 0.000 1.288 336 I HN 0.305 nan 8.210 nan 0.000 0.444 337 L N 8.557 129.870 121.223 0.149 0.000 2.371 337 L HA 0.336 4.676 4.340 -0.000 0.000 0.262 337 L C -1.560 175.355 176.870 0.075 0.000 1.054 337 L CA -1.085 53.807 54.840 0.087 0.000 0.924 337 L CB 1.345 43.494 42.059 0.151 0.000 1.295 337 L HN 0.344 nan 8.230 nan 0.000 0.441 338 P HA -0.013 nan 4.420 nan 0.000 0.234 338 P C 0.466 177.769 177.300 0.006 0.000 1.175 338 P CA 0.282 63.365 63.100 -0.029 0.000 0.801 338 P CB 0.315 31.846 31.700 -0.280 0.000 0.891 339 F N 1.750 121.788 119.950 0.146 0.000 2.529 339 F HA 0.100 4.627 4.527 -0.000 0.000 0.365 339 F C 1.342 177.207 175.800 0.109 0.000 1.102 339 F CA -0.670 57.391 58.000 0.101 0.000 1.271 339 F CB 0.318 39.343 39.000 0.042 0.000 1.120 339 F HN -0.187 nan 8.300 nan 0.000 0.579 340 E N 1.105 121.489 120.200 0.306 0.000 2.374 340 E HA 0.199 4.549 4.350 -0.000 0.000 0.260 340 E C -0.228 176.475 176.600 0.172 0.000 1.101 340 E CA -0.721 55.798 56.400 0.198 0.000 0.907 340 E CB 0.810 30.601 29.700 0.152 0.000 1.014 340 E HN 0.618 nan 8.360 nan 0.000 0.427 341 S N 1.862 117.652 115.700 0.150 0.000 2.579 341 S HA 0.190 4.660 4.470 -0.000 0.000 0.275 341 S C -2.051 172.625 174.600 0.127 0.000 1.345 341 S CA -1.376 56.916 58.200 0.154 0.000 1.031 341 S CB 0.189 63.481 63.200 0.154 0.000 0.892 341 S HN 0.311 nan 8.310 nan 0.000 0.529 342 P HA 0.052 nan 4.420 nan 0.000 0.268 342 P C -0.586 176.700 177.300 -0.023 0.000 1.205 342 P CA 0.027 63.130 63.100 0.005 0.000 0.771 342 P CB 0.325 32.026 31.700 0.003 0.000 0.858 343 H N 2.848 121.750 119.070 -0.280 0.000 2.483 343 H HA 0.436 4.992 4.556 0.000 0.000 0.338 343 H C -1.304 173.666 175.328 -0.597 0.000 1.152 343 H CA -0.448 55.464 56.048 -0.226 0.000 1.264 343 H CB 0.609 30.303 29.762 -0.113 0.000 1.510 343 H HN 0.239 nan 8.280 nan 0.000 0.530 344 F N 1.231 120.599 119.950 -0.970 0.000 2.585 344 F HA 0.358 4.885 4.527 0.000 0.000 0.319 344 F C 0.281 175.712 175.800 -0.616 0.000 1.165 344 F CA -0.741 56.912 58.000 -0.578 0.000 0.949 344 F CB 1.338 40.025 39.000 -0.521 0.000 1.218 344 F HN 0.697 nan 8.300 nan 0.000 0.453 345 A N 2.748 125.594 122.820 0.043 0.000 2.608 345 A HA 0.066 4.386 4.320 -0.000 0.000 0.246 345 A C 0.696 178.355 177.584 0.124 0.000 0.998 345 A CA 0.767 52.924 52.037 0.201 0.000 0.796 345 A CB -0.385 18.758 19.000 0.238 0.000 0.895 345 A HN 0.931 nan 8.150 nan 0.000 0.508 346 D N -0.581 119.906 120.400 0.144 0.000 2.837 346 D HA -0.176 4.464 4.640 -0.000 0.000 0.230 346 D C -0.214 176.119 176.300 0.055 0.000 1.152 346 D CA 1.466 55.527 54.000 0.101 0.000 0.736 346 D CB -2.116 38.737 40.800 0.089 0.000 1.084 346 D HN 0.671 nan 8.370 nan 0.000 0.429 347 C N 0.008 119.322 119.300 0.022 0.000 3.090 347 C HA 0.463 4.923 4.460 -0.000 0.000 0.305 347 C C -0.142 174.861 174.990 0.022 0.000 1.292 347 C CA -1.024 57.991 59.018 -0.005 0.000 1.482 347 C CB 2.563 30.268 27.740 -0.059 0.000 1.897 347 C HN 0.050 nan 8.230 nan 0.000 0.469 348 Q N 0.880 120.697 119.800 0.028 0.000 2.274 348 Q HA 0.582 4.922 4.340 -0.000 0.000 0.260 348 Q C -0.718 175.314 176.000 0.053 0.000 0.974 348 Q CA 0.064 55.899 55.803 0.054 0.000 0.876 348 Q CB 1.753 30.517 28.738 0.043 0.000 1.297 348 Q HN 0.762 nan 8.270 nan 0.000 0.446 349 T N 1.807 116.413 114.554 0.087 0.000 2.786 349 T HA 0.314 4.664 4.350 -0.000 0.000 0.283 349 T C -0.547 174.211 174.700 0.096 0.000 0.992 349 T CA -0.574 61.587 62.100 0.103 0.000 0.954 349 T CB 0.967 69.941 68.868 0.176 0.000 0.934 349 T HN 0.459 nan 8.240 nan 0.000 0.440 350 E N 4.312 124.566 120.200 0.091 0.000 2.114 350 E HA 0.450 4.800 4.350 -0.000 0.000 0.266 350 E C -1.066 175.603 176.600 0.115 0.000 0.896 350 E CA -0.602 55.853 56.400 0.092 0.000 0.750 350 E CB 0.881 30.630 29.700 0.082 0.000 1.121 350 E HN 0.511 nan 8.360 nan 0.000 0.413 351 L N 4.587 125.878 121.223 0.113 0.000 2.307 351 L HA 0.502 4.842 4.340 -0.000 0.000 0.282 351 L C -0.838 176.083 176.870 0.084 0.000 1.051 351 L CA -0.458 54.456 54.840 0.123 0.000 0.804 351 L CB 0.809 42.949 42.059 0.136 0.000 1.197 351 L HN 0.480 nan 8.230 nan 0.000 0.431 352 K N 3.896 124.346 120.400 0.083 0.000 2.541 352 K HA 0.371 4.691 4.320 -0.000 0.000 0.250 352 K C -1.535 175.044 176.600 -0.035 0.000 0.950 352 K CA -0.699 55.622 56.287 0.056 0.000 0.805 352 K CB 2.017 34.609 32.500 0.154 0.000 1.166 352 K HN 0.422 nan 8.250 nan 0.000 0.430 353 V N 6.846 126.679 119.914 -0.137 0.000 2.415 353 V HA 0.066 4.186 4.120 -0.000 0.000 0.267 353 V C 1.142 177.225 176.094 -0.018 0.000 1.042 353 V CA 0.106 62.272 62.300 -0.224 0.000 1.000 353 V CB 0.661 32.368 31.823 -0.193 0.000 1.015 353 V HN 0.809 nan 8.190 nan 0.000 0.478 354 L N 4.034 125.297 121.223 0.067 0.000 2.463 354 L HA 0.506 4.846 4.340 -0.000 0.000 0.219 354 L C 0.880 177.812 176.870 0.102 0.000 1.088 354 L CA 0.624 55.547 54.840 0.138 0.000 0.849 354 L CB 0.181 42.397 42.059 0.262 0.000 1.012 354 L HN 0.741 nan 8.230 nan 0.000 0.468 355 A N -0.571 122.302 122.820 0.087 0.000 2.577 355 A HA 0.589 4.909 4.320 -0.000 0.000 0.297 355 A C -0.303 177.325 177.584 0.072 0.000 1.060 355 A CA -0.035 52.039 52.037 0.062 0.000 0.697 355 A CB 1.254 20.287 19.000 0.055 0.000 1.281 355 A HN 0.019 nan 8.150 nan 0.000 0.402 356 S N 0.461 116.198 115.700 0.062 0.000 2.589 356 S HA 0.566 5.036 4.470 -0.000 0.000 0.210 356 S C 0.646 175.304 174.600 0.097 0.000 0.803 356 S CA 0.687 58.954 58.200 0.111 0.000 1.061 356 S CB -0.394 62.875 63.200 0.115 0.000 1.637 356 S HN 2.886 nan 8.310 nan 0.000 0.462 357 G N 1.605 110.437 108.800 0.054 0.000 2.545 357 G HA2 0.113 4.073 3.960 -0.000 0.000 0.216 357 G HA3 0.113 4.073 3.960 -0.000 0.000 0.216 357 G C -0.442 174.418 174.900 -0.067 0.000 1.314 357 G CA -0.346 44.729 45.100 -0.042 0.000 0.906 357 G HN 1.873 nan 8.290 nan 0.000 0.563 358 S N -0.649 114.990 115.700 -0.101 0.000 2.500 358 S HA 0.852 5.322 4.470 -0.000 0.000 0.301 358 S C 0.075 174.609 174.600 -0.111 0.000 1.092 358 S CA 0.431 58.575 58.200 -0.093 0.000 1.030 358 S CB 1.919 65.066 63.200 -0.088 0.000 1.031 358 S HN 2.328 nan 8.310 nan 0.000 0.483 359 A N 1.756 124.519 122.820 -0.095 0.000 2.409 359 A HA 0.603 4.923 4.320 -0.000 0.000 0.262 359 A C 0.136 177.666 177.584 -0.089 0.000 1.113 359 A CA -0.308 51.657 52.037 -0.120 0.000 0.790 359 A CB 0.049 18.982 19.000 -0.112 0.000 1.046 359 A HN 0.888 nan 8.150 nan 0.000 0.496 360 E N 1.805 121.904 120.200 -0.169 0.000 2.275 360 E HA 0.514 4.864 4.350 -0.000 0.000 0.270 360 E C 0.508 176.950 176.600 -0.265 0.000 0.882 360 E CA 0.245 56.546 56.400 -0.164 0.000 0.758 360 E CB 1.490 31.061 29.700 -0.216 0.000 1.195 360 E HN 1.608 nan 8.360 nan 0.000 0.419 361 G N 3.425 112.179 108.800 -0.077 0.000 2.552 361 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.265 361 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.265 361 G C -0.513 174.168 174.900 -0.364 0.000 1.234 361 G CA -0.035 45.021 45.100 -0.073 0.000 0.944 361 G HN 0.657 nan 8.290 nan 0.000 0.568 362 I N 0.694 120.844 120.570 -0.701 0.000 2.493 362 I HA 0.671 4.841 4.170 -0.000 0.000 0.298 362 I C -0.357 175.407 176.117 -0.587 0.000 0.998 362 I CA -1.017 59.776 61.300 -0.845 0.000 1.137 362 I CB 1.830 39.020 38.000 -1.349 0.000 1.310 362 I HN 0.764 nan 8.210 nan 0.000 0.445 363 N N 5.113 123.483 118.700 -0.550 0.000 2.295 363 N HA 0.489 5.229 4.740 -0.000 0.000 0.293 363 N C -1.883 173.346 175.510 -0.468 0.000 1.040 363 N CA -0.465 52.374 53.050 -0.351 0.000 0.840 363 N CB 1.278 39.669 38.487 -0.159 0.000 1.468 363 N HN 0.330 nan 8.380 nan 0.000 0.478 364 F N 1.483 121.523 119.950 0.151 0.000 2.411 364 F HA 0.424 4.951 4.527 0.000 0.000 0.352 364 F C 0.333 176.175 175.800 0.070 0.000 1.123 364 F CA -0.533 57.532 58.000 0.109 0.000 1.044 364 F CB 2.133 41.293 39.000 0.266 0.000 1.135 364 F HN 0.185 nan 8.300 nan 0.000 0.461 365 T N 4.046 118.627 114.554 0.045 0.000 2.861 365 T HA 0.528 4.878 4.350 -0.000 0.000 0.287 365 T C -1.121 173.490 174.700 -0.148 0.000 1.003 365 T CA -0.556 61.577 62.100 0.055 0.000 0.977 365 T CB 0.773 69.694 68.868 0.088 0.000 0.996 365 T HN 0.211 nan 8.240 nan 0.000 0.448 366 F N 3.810 123.858 119.950 0.163 0.000 2.403 366 F HA 0.476 5.003 4.527 0.000 0.000 0.355 366 F C 0.722 176.601 175.800 0.132 0.000 1.119 366 F CA -1.076 56.998 58.000 0.123 0.000 1.007 366 F CB 1.218 40.313 39.000 0.158 0.000 1.194 366 F HN 0.300 nan 8.300 nan 0.000 0.443 367 R N 2.417 123.055 120.500 0.231 0.000 2.445 367 R HA 0.932 5.272 4.340 -0.000 0.000 0.308 367 R C 0.124 176.514 176.300 0.150 0.000 0.961 367 R CA -0.880 55.329 56.100 0.181 0.000 0.862 367 R CB 1.819 32.191 30.300 0.119 0.000 1.144 367 R HN 0.800 nan 8.270 nan 0.000 0.447 368 G N 0.656 109.556 108.800 0.166 0.000 2.341 368 G HA2 0.002 3.962 3.960 -0.000 0.000 0.196 368 G HA3 0.002 3.962 3.960 -0.000 0.000 0.196 368 G C -1.165 173.788 174.900 0.089 0.000 1.231 368 G CA -0.216 44.950 45.100 0.108 0.000 1.155 368 G HN 0.829 nan 8.290 nan 0.000 0.529 369 S N 0.186 115.812 115.700 -0.124 0.000 2.548 369 S HA 0.681 5.151 4.470 -0.000 0.000 0.278 369 S C -2.013 172.228 174.600 -0.598 0.000 1.150 369 S CA 0.180 58.101 58.200 -0.465 0.000 0.907 369 S CB 2.272 65.392 63.200 -0.133 0.000 1.108 369 S HN 0.602 nan 8.310 nan 0.000 0.459 370 P HA -0.107 nan 4.420 nan 0.000 0.223 370 P C 0.801 177.819 177.300 -0.470 0.000 1.144 370 P CA 1.105 63.807 63.100 -0.663 0.000 0.783 370 P CB 0.166 31.404 31.700 -0.772 0.000 0.771 371 Q N -1.911 117.581 119.800 -0.514 0.000 2.369 371 Q HA -0.072 4.268 4.340 -0.000 0.000 0.206 371 Q C 1.442 177.055 176.000 -0.646 0.000 0.963 371 Q CA 1.062 56.539 55.803 -0.542 0.000 0.894 371 Q CB -0.102 28.266 28.738 -0.617 0.000 0.965 371 Q HN 0.513 nan 8.270 nan 0.000 0.475 372 H N -1.602 117.374 119.070 -0.157 0.000 5.295 372 H HA 0.314 4.870 4.556 0.000 0.000 0.122 372 H C -0.484 174.767 175.328 -0.128 0.000 1.318 372 H CA -0.402 55.581 56.048 -0.109 0.000 0.249 372 H CB -0.138 29.582 29.762 -0.069 0.000 1.675 372 H HN -0.020 nan 8.280 nan 0.000 0.189 373 E N 1.139 121.376 120.200 0.062 0.000 2.166 373 E HA 0.413 4.763 4.350 -0.000 0.000 0.275 373 E C -1.429 175.129 176.600 -0.071 0.000 0.941 373 E CA -0.649 55.730 56.400 -0.036 0.000 0.784 373 E CB 1.278 30.965 29.700 -0.023 0.000 1.115 373 E HN 0.142 nan 8.360 nan 0.000 0.399 374 L N 5.730 126.874 121.223 -0.132 0.000 2.372 374 L HA 0.443 4.783 4.340 -0.000 0.000 0.274 374 L C -1.575 175.228 176.870 -0.112 0.000 0.988 374 L CA -0.351 54.414 54.840 -0.125 0.000 0.833 374 L CB 0.942 42.862 42.059 -0.232 0.000 1.236 374 L HN 0.679 nan 8.230 nan 0.000 0.410 375 C N 4.159 123.435 119.300 -0.041 0.000 2.397 375 C HA 0.749 5.209 4.460 -0.000 0.000 0.343 375 C C -0.300 174.654 174.990 -0.061 0.000 1.188 375 C CA -0.929 58.042 59.018 -0.078 0.000 1.992 375 C CB 1.345 29.054 27.740 -0.052 0.000 2.358 375 C HN 0.772 nan 8.230 nan 0.000 0.518 376 L N 2.575 123.703 121.223 -0.158 0.000 2.333 376 L HA 0.618 4.958 4.340 -0.000 0.000 0.280 376 L C -1.203 175.574 176.870 -0.156 0.000 1.004 376 L CA 0.332 54.958 54.840 -0.357 0.000 0.820 376 L CB 1.020 42.807 42.059 -0.453 0.000 1.247 376 L HN 0.582 nan 8.230 nan 0.000 0.416 377 D N 6.585 126.900 120.400 -0.141 0.000 2.408 377 D HA 0.391 5.031 4.640 -0.000 0.000 0.243 377 D C -0.513 175.815 176.300 0.047 0.000 1.075 377 D CA -0.051 53.948 54.000 -0.002 0.000 0.832 377 D CB 2.212 43.022 40.800 0.016 0.000 1.162 377 D HN 0.337 nan 8.370 nan 0.000 0.515 378 I N 2.341 122.996 120.570 0.142 0.000 2.330 378 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 378 I C 0.364 176.685 176.117 0.340 0.000 1.025 378 I CA -0.234 61.190 61.300 0.205 0.000 1.197 378 I CB 0.486 38.640 38.000 0.257 0.000 1.358 378 I HN 0.026 nan 8.210 nan 0.000 0.467 379 T N 5.472 120.106 114.554 0.134 0.000 2.829 379 T HA 0.803 5.153 4.350 -0.000 0.000 0.280 379 T C -0.055 174.592 174.700 -0.088 0.000 0.999 379 T CA -0.527 61.613 62.100 0.066 0.000 0.983 379 T CB 2.172 71.024 68.868 -0.027 0.000 0.968 379 T HN 0.702 nan 8.240 nan 0.000 0.446 380 A N 2.125 124.801 122.820 -0.240 0.000 2.435 380 A HA 0.699 5.019 4.320 -0.000 0.000 0.304 380 A C -1.166 176.292 177.584 -0.210 0.000 1.064 380 A CA -0.839 51.050 52.037 -0.248 0.000 0.727 380 A CB 1.443 20.343 19.000 -0.168 0.000 1.284 380 A HN 0.723 nan 8.150 nan 0.000 0.415 381 D N 2.224 122.585 120.400 -0.064 0.000 2.443 381 D HA 0.340 4.980 4.640 -0.000 0.000 0.221 381 D C 0.760 177.120 176.300 0.100 0.000 1.097 381 D CA -0.357 53.646 54.000 0.006 0.000 0.865 381 D CB 0.285 41.115 40.800 0.050 0.000 1.034 381 D HN 0.372 nan 8.370 nan 0.000 0.511 382 L N 2.782 124.054 121.223 0.082 0.000 2.349 382 L HA -0.110 4.230 4.340 -0.000 0.000 0.220 382 L C 2.031 178.957 176.870 0.094 0.000 1.130 382 L CA 1.064 55.961 54.840 0.095 0.000 0.791 382 L CB -0.351 41.763 42.059 0.091 0.000 0.918 382 L HN 0.488 nan 8.230 nan 0.000 0.444 383 A N -0.659 122.245 122.820 0.140 0.000 2.208 383 A HA -0.004 4.316 4.320 -0.000 0.000 0.209 383 A C 1.793 179.515 177.584 0.229 0.000 1.161 383 A CA 1.084 53.218 52.037 0.161 0.000 0.782 383 A CB -0.094 19.015 19.000 0.181 0.000 0.816 383 A HN 0.465 nan 8.150 nan 0.000 0.477 384 S N -3.182 112.632 115.700 0.190 0.000 3.067 384 S HA 0.423 4.893 4.470 -0.000 0.000 0.253 384 S C -0.548 174.191 174.600 0.232 0.000 0.942 384 S CA -0.409 57.843 58.200 0.088 0.000 1.197 384 S CB -0.366 62.736 63.200 -0.163 0.000 1.143 384 S HN 0.448 nan 8.310 nan 0.000 0.638 385 Y N 2.216 122.561 120.300 0.074 0.000 2.376 385 Y HA 0.466 5.016 4.550 -0.000 0.000 0.321 385 Y C -2.991 172.949 175.900 0.067 0.000 1.189 385 Y CA -1.565 56.606 58.100 0.118 0.000 1.069 385 Y CB 1.920 40.475 38.460 0.158 0.000 1.292 385 Y HN 0.007 nan 8.280 nan 0.000 0.430 386 P HA -0.040 nan 4.420 nan 0.000 0.262 386 P C 0.133 177.360 177.300 -0.121 0.000 1.199 386 P CA 0.407 63.279 63.100 -0.379 0.000 0.763 386 P CB 1.510 32.784 31.700 -0.710 0.000 0.790 387 Q N 3.702 123.519 119.800 0.029 0.000 2.135 387 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 387 Q C 1.854 178.048 176.000 0.323 0.000 0.981 387 Q CA 2.519 58.451 55.803 0.215 0.000 0.856 387 Q CB -0.204 28.620 28.738 0.145 0.000 0.902 387 Q HN 0.591 nan 8.270 nan 0.000 0.425 388 S N -0.654 115.135 115.700 0.149 0.000 2.368 388 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 388 S C 1.618 176.392 174.600 0.290 0.000 1.030 388 S CA 1.445 59.755 58.200 0.182 0.000 0.999 388 S CB -0.939 62.320 63.200 0.098 0.000 0.844 388 S HN 0.608 nan 8.310 nan 0.000 0.459 389 H N -0.832 118.327 119.070 0.149 0.000 2.352 389 H HA -0.125 4.431 4.556 0.000 0.000 0.299 389 H C 1.931 177.517 175.328 0.429 0.000 1.097 389 H CA 1.356 57.513 56.048 0.182 0.000 1.311 389 H CB -0.286 29.541 29.762 0.108 0.000 1.377 389 H HN 0.629 nan 8.280 nan 0.000 0.504 390 W N 2.436 124.071 121.300 0.559 0.000 2.338 390 W HA -0.217 4.443 4.660 -0.000 0.000 0.304 390 W C 2.234 178.965 176.519 0.355 0.000 1.212 390 W CA 1.303 58.965 57.345 0.528 0.000 1.264 390 W CB -0.123 29.583 29.460 0.410 0.000 1.142 390 W HN 0.112 nan 8.180 nan 0.000 0.512 391 Q N -0.008 119.923 119.800 0.218 0.000 2.014 391 Q HA -0.269 4.071 4.340 -0.000 0.000 0.207 391 Q C 2.360 178.304 176.000 -0.094 0.000 0.993 391 Q CA 2.177 57.932 55.803 -0.080 0.000 0.850 391 Q CB -1.493 27.311 28.738 0.109 0.000 0.916 391 Q HN 0.389 nan 8.270 nan 0.000 0.417 392 S N -0.116 115.597 115.700 0.022 0.000 2.365 392 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 392 S C 1.837 176.427 174.600 -0.016 0.000 1.039 392 S CA 1.210 59.395 58.200 -0.025 0.000 1.033 392 S CB -0.199 62.962 63.200 -0.066 0.000 0.887 392 S HN 0.413 nan 8.310 nan 0.000 0.447 393 H N -0.113 119.031 119.070 0.124 0.000 2.353 393 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 393 H C 2.482 177.885 175.328 0.125 0.000 1.090 393 H CA 1.496 57.684 56.048 0.233 0.000 1.327 393 H CB -0.930 29.088 29.762 0.427 0.000 1.383 393 H HN 0.456 nan 8.280 nan 0.000 0.508 394 C N 0.609 119.904 119.300 -0.009 0.000 2.422 394 C HA -0.054 4.406 4.460 -0.000 0.000 0.286 394 C C 2.849 177.799 174.990 -0.067 0.000 1.412 394 C CA 1.391 60.335 59.018 -0.124 0.000 1.786 394 C CB -0.928 26.543 27.740 -0.449 0.000 1.835 394 C HN 0.802 nan 8.230 nan 0.000 0.533 395 E N 0.125 120.306 120.200 -0.032 0.000 2.244 395 E HA 0.096 4.446 4.350 -0.000 0.000 0.196 395 E C 2.130 178.747 176.600 0.029 0.000 0.939 395 E CA 0.930 57.312 56.400 -0.029 0.000 0.884 395 E CB -0.499 29.183 29.700 -0.030 0.000 0.850 395 E HN 0.648 nan 8.360 nan 0.000 0.481 396 R N -0.130 120.435 120.500 0.107 0.000 2.075 396 R HA 0.211 4.551 4.340 -0.000 0.000 0.226 396 R C 2.205 178.680 176.300 0.291 0.000 1.114 396 R CA 1.306 57.524 56.100 0.198 0.000 0.972 396 R CB -1.244 29.179 30.300 0.205 0.000 0.869 396 R HN 0.407 nan 8.270 nan 0.000 0.437 397 F N 1.582 121.540 119.950 0.013 0.000 2.069 397 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 397 F C -0.723 174.989 175.800 -0.146 0.000 1.113 397 F CA 1.396 59.112 58.000 -0.473 0.000 1.214 397 F CB -1.090 37.615 39.000 -0.491 0.000 0.978 397 F HN 0.094 nan 8.300 nan 0.000 0.474 398 P HA -0.189 nan 4.420 nan 0.000 0.216 398 P C 1.834 179.159 177.300 0.042 0.000 1.150 398 P CA 3.118 66.145 63.100 -0.121 0.000 0.843 398 P CB -0.312 30.860 31.700 -0.880 0.000 0.787 399 R N -0.605 119.918 120.500 0.038 0.000 2.081 399 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 399 R C 2.104 178.479 176.300 0.125 0.000 1.131 399 R CA 1.948 58.091 56.100 0.072 0.000 0.960 399 R CB -2.493 27.846 30.300 0.065 0.000 0.856 399 R HN 0.221 nan 8.270 nan 0.000 0.436 400 F N 0.532 120.489 119.950 0.013 0.000 2.115 400 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 400 F C 1.964 177.703 175.800 -0.101 0.000 1.092 400 F CA 2.011 59.977 58.000 -0.057 0.000 1.245 400 F CB -0.288 38.625 39.000 -0.145 0.000 0.995 400 F HN 0.222 nan 8.300 nan 0.000 0.481 401 F N 0.424 120.516 119.950 0.237 0.000 2.259 401 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 401 F C 2.353 178.174 175.800 0.035 0.000 1.088 401 F CA 1.186 59.261 58.000 0.125 0.000 1.358 401 F CB -0.501 38.644 39.000 0.241 0.000 1.040 401 F HN -0.031 nan 8.300 nan 0.000 0.505 402 E N -0.022 120.311 120.200 0.221 0.000 2.110 402 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 402 E C 2.127 178.756 176.600 0.048 0.000 0.988 402 E CA 1.081 57.563 56.400 0.137 0.000 0.804 402 E CB -0.132 29.635 29.700 0.111 0.000 0.745 402 E HN 0.529 nan 8.360 nan 0.000 0.458 403 Q N 0.564 120.347 119.800 -0.029 0.000 1.990 403 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 403 Q C 2.430 178.369 176.000 -0.100 0.000 0.980 403 Q CA 0.927 56.680 55.803 -0.082 0.000 0.832 403 Q CB -0.213 28.432 28.738 -0.156 0.000 0.897 403 Q HN 0.307 nan 8.270 nan 0.000 0.427 404 L N 0.730 121.823 121.223 -0.217 0.000 2.034 404 L HA -0.262 4.078 4.340 -0.000 0.000 0.217 404 L C 2.383 179.241 176.870 -0.021 0.000 1.077 404 L CA 1.143 55.879 54.840 -0.174 0.000 0.769 404 L CB -0.287 41.632 42.059 -0.234 0.000 0.890 404 L HN 0.315 nan 8.230 nan 0.000 0.435 405 L N -0.373 120.866 121.223 0.027 0.000 2.131 405 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 405 L C 2.420 179.382 176.870 0.153 0.000 1.092 405 L CA 1.964 56.862 54.840 0.097 0.000 0.759 405 L CB -0.717 41.399 42.059 0.095 0.000 0.903 405 L HN 0.255 nan 8.230 nan 0.000 0.435 406 A N -0.415 122.457 122.820 0.086 0.000 1.832 406 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 406 A C 2.364 179.994 177.584 0.076 0.000 1.204 406 A CA 1.325 53.404 52.037 0.069 0.000 0.606 406 A CB -0.585 18.434 19.000 0.031 0.000 0.849 406 A HN 0.403 nan 8.150 nan 0.000 0.445 407 R N -1.927 118.606 120.500 0.055 0.000 2.204 407 R HA -0.207 4.133 4.340 -0.000 0.000 0.253 407 R C 1.809 178.184 176.300 0.126 0.000 1.172 407 R CA 1.704 57.838 56.100 0.056 0.000 0.994 407 R CB -0.462 29.853 30.300 0.024 0.000 0.874 407 R HN 0.587 nan 8.270 nan 0.000 0.462 408 F N 1.453 121.389 119.950 -0.022 0.000 2.118 408 F HA -0.139 4.388 4.527 -0.000 0.000 0.293 408 F C 2.332 178.126 175.800 -0.009 0.000 1.102 408 F CA 1.254 59.247 58.000 -0.012 0.000 1.247 408 F CB -0.254 38.741 39.000 -0.007 0.000 1.017 408 F HN -0.114 nan 8.300 nan 0.000 0.475 409 Q N 0.786 120.604 119.800 0.031 0.000 1.985 409 Q HA -0.272 4.068 4.340 -0.000 0.000 0.207 409 Q C 1.799 177.742 176.000 -0.094 0.000 0.996 409 Q CA 2.028 57.789 55.803 -0.069 0.000 0.851 409 Q CB -1.463 27.279 28.738 0.006 0.000 0.921 409 Q HN 0.682 nan 8.270 nan 0.000 0.418 410 Q N 0.295 120.072 119.800 -0.039 0.000 2.362 410 Q HA 0.064 4.404 4.340 -0.000 0.000 0.210 410 Q C 0.196 176.165 176.000 -0.052 0.000 0.924 410 Q CA 0.304 56.084 55.803 -0.038 0.000 0.982 410 Q CB 0.021 28.751 28.738 -0.014 0.000 1.028 410 Q HN 0.044 nan 8.270 nan 0.000 0.482 411 V N 0.208 120.061 119.914 -0.102 0.000 3.590 411 V HA 0.016 4.136 4.120 -0.000 0.000 0.389 411 V C -0.556 175.422 176.094 -0.193 0.000 1.545 411 V CA -0.390 61.846 62.300 -0.108 0.000 1.448 411 V CB -0.029 31.758 31.823 -0.060 0.000 1.105 411 V HN 0.500 nan 8.190 nan 0.000 0.537 412 E N 1.520 121.592 120.200 -0.213 0.000 2.197 412 E HA -0.292 4.058 4.350 -0.000 0.000 0.184 412 E C 0.273 176.640 176.600 -0.387 0.000 1.439 412 E CA 0.534 56.791 56.400 -0.238 0.000 0.688 412 E CB -0.748 28.867 29.700 -0.141 0.000 1.090 412 E HN 0.865 nan 8.360 nan 0.000 0.341 413 Q N -1.008 118.338 119.800 -0.757 0.000 2.325 413 Q HA -0.274 4.066 4.340 -0.000 0.000 0.346 413 Q C -0.333 175.274 176.000 -0.656 0.000 1.253 413 Q CA 1.330 56.284 55.803 -1.415 0.000 1.050 413 Q CB -1.204 27.088 28.738 -0.743 0.000 1.291 413 Q HN 0.491 nan 8.270 nan 0.000 0.431 414 D N -0.706 119.458 120.400 -0.393 0.000 2.485 414 D HA 0.283 4.923 4.640 -0.000 0.000 0.221 414 D C 1.041 177.432 176.300 0.151 0.000 1.112 414 D CA -0.372 53.593 54.000 -0.057 0.000 0.911 414 D CB 0.761 41.529 40.800 -0.054 0.000 1.019 414 D HN 0.021 nan 8.370 nan 0.000 0.516 415 V N 3.692 123.782 119.914 0.294 0.000 2.277 415 V HA -0.387 3.733 4.120 -0.000 0.000 0.255 415 V C 2.391 178.586 176.094 0.169 0.000 1.074 415 V CA 2.431 64.908 62.300 0.295 0.000 1.058 415 V CB -0.877 31.052 31.823 0.175 0.000 0.656 415 V HN 0.729 nan 8.190 nan 0.000 0.449 416 A N -0.661 122.224 122.820 0.108 0.000 1.969 416 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 416 A C 2.360 179.985 177.584 0.069 0.000 1.169 416 A CA 1.774 53.855 52.037 0.073 0.000 0.635 416 A CB -0.450 18.580 19.000 0.049 0.000 0.810 416 A HN 0.558 nan 8.150 nan 0.000 0.445 417 R N -1.268 119.273 120.500 0.069 0.000 2.075 417 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 417 R C 2.083 178.428 176.300 0.076 0.000 1.126 417 R CA 1.310 57.441 56.100 0.052 0.000 0.963 417 R CB -0.494 29.820 30.300 0.022 0.000 0.858 417 R HN 0.461 nan 8.270 nan 0.000 0.435 418 L N 1.068 122.372 121.223 0.135 0.000 2.046 418 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 418 L C 1.856 178.784 176.870 0.098 0.000 1.077 418 L CA 1.620 56.554 54.840 0.157 0.000 0.747 418 L CB -0.260 41.984 42.059 0.309 0.000 0.896 418 L HN 0.146 nan 8.230 nan 0.000 0.432 419 L N -0.907 120.371 121.223 0.091 0.000 2.362 419 L HA -0.103 4.237 4.340 -0.000 0.000 0.219 419 L C 2.498 179.403 176.870 0.057 0.000 1.134 419 L CA 0.720 55.601 54.840 0.068 0.000 0.807 419 L CB -0.710 41.387 42.059 0.064 0.000 0.927 419 L HN 0.365 nan 8.230 nan 0.000 0.447 420 A N -0.423 122.429 122.820 0.054 0.000 1.897 420 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 420 A C 1.106 178.710 177.584 0.034 0.000 1.181 420 A CA 0.462 52.523 52.037 0.040 0.000 0.620 420 A CB -0.219 18.802 19.000 0.035 0.000 0.821 420 A HN 0.358 nan 8.150 nan 0.000 0.443 421 E N 0.478 120.699 120.200 0.034 0.000 2.438 421 E HA 0.156 4.506 4.350 -0.000 0.000 0.261 421 E C -2.339 174.272 176.600 0.018 0.000 1.103 421 E CA -1.641 54.772 56.400 0.022 0.000 0.959 421 E CB -0.241 29.471 29.700 0.020 0.000 0.958 421 E HN 0.211 nan 8.360 nan 0.000 0.447 422 P HA -0.058 nan 4.420 nan 0.000 0.269 422 P C -0.089 177.203 177.300 -0.014 0.000 1.215 422 P CA 0.226 63.327 63.100 0.002 0.000 0.780 422 P CB 0.658 32.355 31.700 -0.006 0.000 0.898 423 A N 2.777 125.583 122.820 -0.024 0.000 1.883 423 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 423 A C 1.329 178.840 177.584 -0.121 0.000 1.186 423 A CA 1.876 53.856 52.037 -0.095 0.000 0.624 423 A CB -1.467 17.430 19.000 -0.173 0.000 0.822 423 A HN 0.657 nan 8.150 nan 0.000 0.444 424 A N 0.000 122.763 122.820 -0.095 0.000 2.254 424 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 424 A CA 0.000 51.991 52.037 -0.076 0.000 0.836 424 A CB 0.000 18.964 19.000 -0.060 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486