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 3obv_1_E DATA FIRST_RESID 754 DATA SEQUENCE KVYKPEVQLR RPNWSKFVAE DLSQDCFWTK VKEDRFENNE LFAKLTLAFS DATA SEQUENCE AQXXXXXXXX XXXXXXXXXX XXXXXVKELK VLDSKTAQNL SIFLGSFRMP DATA SEQUENCE YQEIKNVILE VNEAVLTESM IQNLIKQMPE PEQLKMLSEL KEEYDDLAES DATA SEQUENCE EQFGVVMGTV PRLRPRLNAI LFKLQFSEQV ENIKPEIVSV TAACEELRKS DATA SEQUENCE ENFSSLLELT LLVGNYMNAG SRNAGAFGFN ISFLCKLRDT KSADQKMTLL DATA SEQUENCE HFLAELCEND HPEVLKFPDE LAHVEKASRV SAENLQKSLD QMKKQIADVE DATA SEQUENCE RDVQNFPAAT DEKDKFVEKM TSFVKDAQEQ YNKLRMMHSN METLYKELGD DATA SEQUENCE YFVFDPKKLS VEEFFMDLHN FRNMFLQAVK ENQKRRETEE KMRRAKLAKE DATA SEQUENCE KAEKERLEKQ QKREQLIDMN AEGDETGVMD SLLEALQSGA AF 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 754 K HA 0.000 nan 4.320 nan 0.000 0.191 754 K C 0.000 176.483 176.600 -0.195 0.000 0.988 754 K CA 0.000 56.212 56.287 -0.126 0.000 0.838 754 K CB 0.000 32.394 32.500 -0.177 0.000 1.064 755 V N 2.227 121.928 119.914 -0.355 0.000 2.777 755 V HA 0.523 4.644 4.120 0.001 0.000 0.306 755 V C -1.537 174.286 176.094 -0.453 0.000 1.112 755 V CA -0.703 61.415 62.300 -0.304 0.000 0.917 755 V CB 1.541 33.288 31.823 -0.126 0.000 1.018 755 V HN 0.688 nan 8.190 nan 0.000 0.426 756 Y N 2.252 122.539 120.300 -0.023 0.000 2.602 756 Y HA 0.743 5.293 4.550 0.001 0.000 0.330 756 Y C 0.257 176.129 175.900 -0.046 0.000 1.114 756 Y CA -1.182 56.889 58.100 -0.049 0.000 1.182 756 Y CB 1.820 40.201 38.460 -0.132 0.000 1.305 756 Y HN 0.437 nan 8.280 nan 0.000 0.502 757 K N 1.716 122.193 120.400 0.127 0.000 2.896 757 K HA 0.340 4.660 4.320 0.001 0.000 0.228 757 K C -2.865 173.758 176.600 0.037 0.000 1.151 757 K CA -1.221 55.099 56.287 0.057 0.000 1.035 757 K CB 0.760 33.282 32.500 0.037 0.000 1.263 757 K HN 0.390 nan 8.250 nan 0.000 0.574 758 P HA 0.201 nan 4.420 nan 0.000 0.274 758 P C 0.262 177.559 177.300 -0.006 0.000 1.246 758 P CA -0.535 62.554 63.100 -0.018 0.000 0.795 758 P CB 1.039 32.696 31.700 -0.073 0.000 1.006 759 E N -0.621 119.579 120.200 0.000 0.000 2.122 759 E HA 0.038 4.388 4.350 0.001 0.000 0.190 759 E C -0.153 176.445 176.600 -0.003 0.000 0.977 759 E CA 0.531 56.933 56.400 0.003 0.000 0.820 759 E CB 0.277 29.983 29.700 0.011 0.000 0.770 759 E HN 0.185 nan 8.360 nan 0.000 0.462 760 V N 1.819 121.728 119.914 -0.007 0.000 2.459 760 V HA 0.173 4.294 4.120 0.001 0.000 0.295 760 V C -0.220 175.862 176.094 -0.019 0.000 1.029 760 V CA -0.989 61.306 62.300 -0.009 0.000 0.874 760 V CB 1.476 33.297 31.823 -0.002 0.000 0.985 760 V HN 0.034 nan 8.190 nan 0.000 0.438 761 Q N 3.625 123.413 119.800 -0.020 0.000 2.286 761 Q HA 0.276 4.616 4.340 0.001 0.000 0.290 761 Q C -0.935 175.050 176.000 -0.025 0.000 1.049 761 Q CA 0.632 56.416 55.803 -0.030 0.000 0.923 761 Q CB 0.414 29.136 28.738 -0.028 0.000 1.183 761 Q HN 0.687 nan 8.270 nan 0.000 0.383 762 L N 3.741 124.939 121.223 -0.041 0.000 2.344 762 L HA 0.568 4.909 4.340 0.001 0.000 0.272 762 L C 0.445 177.291 176.870 -0.040 0.000 1.035 762 L CA -1.386 53.442 54.840 -0.020 0.000 0.807 762 L CB 1.130 43.167 42.059 -0.037 0.000 1.237 762 L HN 0.562 nan 8.230 nan 0.000 0.442 763 R N 1.927 122.431 120.500 0.007 0.000 2.679 763 R HA 0.231 4.571 4.340 0.001 0.000 0.268 763 R C -0.314 175.895 176.300 -0.151 0.000 1.044 763 R CA -0.016 56.063 56.100 -0.034 0.000 1.105 763 R CB 0.280 30.613 30.300 0.056 0.000 0.989 763 R HN 0.692 nan 8.270 nan 0.000 0.447 764 R N 1.347 121.731 120.500 -0.193 0.000 2.888 764 R HA 0.633 4.973 4.340 0.001 0.000 0.264 764 R C -2.458 173.631 176.300 -0.350 0.000 1.045 764 R CA -1.933 53.981 56.100 -0.311 0.000 0.962 764 R CB 0.068 30.181 30.300 -0.312 0.000 1.210 764 R HN 0.267 nan 8.270 nan 0.000 0.479 765 P HA 0.286 nan 4.420 nan 0.000 0.291 765 P C -1.005 175.942 177.300 -0.588 0.000 1.340 765 P CA -0.699 62.070 63.100 -0.552 0.000 0.799 765 P CB 0.629 31.815 31.700 -0.857 0.000 0.917 766 N N 2.690 121.208 118.700 -0.303 0.000 2.509 766 N HA 0.020 4.760 4.740 0.001 0.000 0.239 766 N C 0.271 175.735 175.510 -0.077 0.000 1.215 766 N CA -0.143 52.784 53.050 -0.206 0.000 0.882 766 N CB -0.239 38.181 38.487 -0.112 0.000 1.189 766 N HN 0.539 nan 8.380 nan 0.000 0.490 767 W N 0.722 121.961 121.300 -0.102 0.000 2.055 767 W HA 0.160 4.820 4.660 0.001 0.000 0.356 767 W C -0.038 176.398 176.519 -0.139 0.000 1.331 767 W CA -1.118 56.150 57.345 -0.127 0.000 1.364 767 W CB -0.569 28.793 29.460 -0.163 0.000 1.274 767 W HN -0.207 nan 8.180 nan 0.000 0.645 768 S N 1.421 117.220 115.700 0.165 0.000 2.438 768 S HA 0.230 4.700 4.470 0.001 0.000 0.293 768 S C 0.008 174.488 174.600 -0.200 0.000 1.141 768 S CA -0.908 57.301 58.200 0.015 0.000 1.080 768 S CB 0.705 63.882 63.200 -0.039 0.000 0.978 768 S HN 0.443 nan 8.310 nan 0.000 0.479 769 K N 3.063 123.414 120.400 -0.082 0.000 2.126 769 K HA 0.390 4.711 4.320 0.001 0.000 0.257 769 K C -1.257 175.215 176.600 -0.213 0.000 1.007 769 K CA -0.351 55.800 56.287 -0.227 0.000 0.928 769 K CB 0.540 33.056 32.500 0.026 0.000 1.013 769 K HN 0.518 nan 8.250 nan 0.000 0.473 770 F N 2.076 121.866 119.950 -0.267 0.000 2.443 770 F HA 0.339 4.867 4.527 0.001 0.000 0.335 770 F C -0.222 175.485 175.800 -0.155 0.000 1.104 770 F CA -1.402 56.462 58.000 -0.226 0.000 1.013 770 F CB 2.073 40.862 39.000 -0.352 0.000 1.136 770 F HN 0.115 nan 8.300 nan 0.000 0.470 771 V N 2.822 122.801 119.914 0.109 0.000 2.630 771 V HA 0.302 4.422 4.120 0.001 0.000 0.305 771 V C 0.802 176.907 176.094 0.019 0.000 1.046 771 V CA -0.430 61.897 62.300 0.045 0.000 0.934 771 V CB 1.523 33.367 31.823 0.036 0.000 1.003 771 V HN 0.998 nan 8.190 nan 0.000 0.451 772 A N 2.511 125.341 122.820 0.016 0.000 1.986 772 A HA -0.161 4.159 4.320 0.001 0.000 0.220 772 A C 1.486 179.068 177.584 -0.003 0.000 1.171 772 A CA 1.655 53.698 52.037 0.010 0.000 0.640 772 A CB -0.488 18.522 19.000 0.016 0.000 0.811 772 A HN 0.947 nan 8.150 nan 0.000 0.451 773 E N -0.507 119.692 120.200 -0.002 0.000 4.419 773 E HA -0.182 4.168 4.350 0.001 0.000 0.578 773 E C 1.236 177.824 176.600 -0.019 0.000 0.554 773 E CA 0.521 56.917 56.400 -0.006 0.000 3.917 773 E CB -0.279 29.420 29.700 -0.001 0.000 1.893 773 E HN 0.540 nan 8.360 nan 0.000 0.303 774 D N 0.214 120.602 120.400 -0.020 0.000 2.265 774 D HA -0.164 4.476 4.640 0.001 0.000 0.208 774 D C 2.001 178.264 176.300 -0.062 0.000 0.977 774 D CA 0.743 54.725 54.000 -0.031 0.000 0.871 774 D CB 0.068 40.855 40.800 -0.023 0.000 0.925 774 D HN 0.197 nan 8.370 nan 0.000 0.485 775 L N 0.109 121.285 121.223 -0.078 0.000 2.027 775 L HA -0.069 4.272 4.340 0.001 0.000 0.206 775 L C 1.577 178.313 176.870 -0.223 0.000 1.074 775 L CA 0.512 55.246 54.840 -0.176 0.000 0.745 775 L CB -0.368 41.599 42.059 -0.154 0.000 0.898 775 L HN -0.139 nan 8.230 nan 0.000 0.433 776 S N -1.315 114.312 115.700 -0.120 0.000 2.652 776 S HA 0.256 4.726 4.470 0.001 0.000 0.270 776 S C 0.330 174.907 174.600 -0.037 0.000 1.243 776 S CA -0.575 57.587 58.200 -0.063 0.000 0.999 776 S CB 2.150 65.356 63.200 0.009 0.000 0.973 776 S HN 0.215 nan 8.310 nan 0.000 0.544 777 Q N 0.509 120.302 119.800 -0.011 0.000 1.812 777 Q HA 0.195 4.536 4.340 0.001 0.000 0.150 777 Q C -0.495 175.508 176.000 0.005 0.000 0.480 777 Q CA -0.063 55.736 55.803 -0.008 0.000 0.762 777 Q CB 0.242 28.970 28.738 -0.017 0.000 0.920 777 Q HN 0.698 nan 8.270 nan 0.000 0.287 778 D N 0.699 121.105 120.400 0.010 0.000 2.837 778 D HA 0.184 4.824 4.640 0.001 0.000 0.340 778 D C 0.178 176.491 176.300 0.022 0.000 1.451 778 D CA -0.188 53.819 54.000 0.012 0.000 0.798 778 D CB 0.231 41.035 40.800 0.005 0.000 1.169 778 D HN 0.386 nan 8.370 nan 0.000 0.449 779 C N -1.689 117.637 119.300 0.043 0.000 2.672 779 C HA 0.420 4.880 4.460 0.001 0.000 0.317 779 C C 2.042 177.071 174.990 0.065 0.000 2.142 779 C CA -0.725 58.337 59.018 0.073 0.000 1.910 779 C CB -0.847 26.969 27.740 0.127 0.000 1.919 779 C HN 0.336 nan 8.230 nan 0.000 0.515 780 F N 0.014 119.888 119.950 -0.127 0.000 2.206 780 F HA 0.093 4.621 4.527 0.001 0.000 0.298 780 F C 1.876 177.519 175.800 -0.263 0.000 1.090 780 F CA 1.020 58.850 58.000 -0.283 0.000 1.323 780 F CB -0.400 38.285 39.000 -0.524 0.000 1.028 780 F HN 0.660 nan 8.300 nan 0.000 0.492 781 W N 0.876 122.135 121.300 -0.068 0.000 2.467 781 W HA -0.070 4.590 4.660 0.001 0.000 0.275 781 W C 2.728 179.153 176.519 -0.158 0.000 1.239 781 W CA 1.565 58.811 57.345 -0.164 0.000 1.266 781 W CB -1.141 28.352 29.460 0.054 0.000 1.112 781 W HN 0.071 nan 8.180 nan 0.000 0.576 782 T N -0.227 114.376 114.554 0.082 0.000 2.881 782 T HA -0.216 4.135 4.350 0.001 0.000 0.270 782 T C 1.303 175.986 174.700 -0.030 0.000 1.068 782 T CA 1.320 63.440 62.100 0.034 0.000 1.131 782 T CB -0.442 68.441 68.868 0.025 0.000 0.871 782 T HN 0.319 nan 8.240 nan 0.000 0.479 783 K N 1.274 121.606 120.400 -0.113 0.000 2.811 783 K HA 0.479 4.799 4.320 0.001 0.000 0.217 783 K C -0.628 175.868 176.600 -0.173 0.000 1.115 783 K CA -0.469 55.743 56.287 -0.124 0.000 1.179 783 K CB 0.329 32.758 32.500 -0.119 0.000 0.994 783 K HN 0.184 nan 8.250 nan 0.000 0.464 784 V N 1.590 121.419 119.914 -0.141 0.000 2.472 784 V HA 0.213 4.334 4.120 0.001 0.000 0.290 784 V C -0.218 175.872 176.094 -0.008 0.000 1.037 784 V CA -0.811 61.423 62.300 -0.110 0.000 0.908 784 V CB 1.606 33.390 31.823 -0.064 0.000 0.985 784 V HN 0.288 nan 8.190 nan 0.000 0.454 785 K N 3.618 124.027 120.400 0.015 0.000 2.268 785 K HA 0.205 4.525 4.320 0.001 0.000 0.276 785 K C 1.154 177.807 176.600 0.088 0.000 1.080 785 K CA -0.192 56.115 56.287 0.034 0.000 0.910 785 K CB 1.044 33.546 32.500 0.002 0.000 1.163 785 K HN 0.867 nan 8.250 nan 0.000 0.465 786 E N 2.597 122.858 120.200 0.102 0.000 2.118 786 E HA -0.264 4.087 4.350 0.001 0.000 0.195 786 E C 0.664 177.372 176.600 0.181 0.000 0.992 786 E CA 1.785 58.280 56.400 0.159 0.000 0.804 786 E CB 0.044 29.833 29.700 0.148 0.000 0.741 786 E HN 0.578 nan 8.360 nan 0.000 0.458 787 D N 0.983 121.454 120.400 0.118 0.000 2.347 787 D HA -0.184 4.456 4.640 0.001 0.000 0.215 787 D C 1.980 178.314 176.300 0.057 0.000 0.976 787 D CA 0.446 54.507 54.000 0.102 0.000 0.884 787 D CB -0.558 40.278 40.800 0.059 0.000 0.915 787 D HN 0.268 nan 8.370 nan 0.000 0.526 788 R N -0.201 120.314 120.500 0.025 0.000 2.244 788 R HA -0.183 4.158 4.340 0.001 0.000 0.252 788 R C 0.548 176.639 176.300 -0.349 0.000 1.177 788 R CA 1.245 57.253 56.100 -0.152 0.000 1.004 788 R CB -0.279 29.917 30.300 -0.174 0.000 0.873 788 R HN 0.214 nan 8.270 nan 0.000 0.469 789 F N -0.130 119.838 119.950 0.031 0.000 2.746 789 F HA 0.301 4.829 4.527 0.001 0.000 0.320 789 F C -0.033 175.735 175.800 -0.054 0.000 1.097 789 F CA -0.596 57.407 58.000 0.005 0.000 1.195 789 F CB 0.566 39.585 39.000 0.032 0.000 1.056 789 F HN -0.139 nan 8.300 nan 0.000 0.562 790 E N 2.009 122.254 120.200 0.076 0.000 2.414 790 E HA 0.068 4.419 4.350 0.001 0.000 0.263 790 E C -0.261 176.243 176.600 -0.160 0.000 1.000 790 E CA 0.426 56.771 56.400 -0.091 0.000 0.914 790 E CB 0.418 30.132 29.700 0.023 0.000 0.948 790 E HN 0.203 nan 8.360 nan 0.000 0.444 791 N N 1.685 120.177 118.700 -0.346 0.000 2.416 791 N HA 0.163 4.904 4.740 0.001 0.000 0.276 791 N C -0.018 175.307 175.510 -0.309 0.000 1.261 791 N CA -0.634 52.278 53.050 -0.230 0.000 0.790 791 N CB 1.377 39.774 38.487 -0.150 0.000 1.554 791 N HN 0.351 nan 8.380 nan 0.000 0.481 792 N N 0.614 119.249 118.700 -0.108 0.000 2.446 792 N HA -0.029 4.711 4.740 0.001 0.000 0.179 792 N C 0.508 176.026 175.510 0.014 0.000 1.054 792 N CA 0.800 53.847 53.050 -0.004 0.000 0.905 792 N CB 0.738 39.258 38.487 0.055 0.000 0.973 792 N HN 0.569 nan 8.380 nan 0.000 0.448 793 E N 0.850 121.032 120.200 -0.029 0.000 2.086 793 E HA -0.068 4.282 4.350 0.001 0.000 0.190 793 E C 1.894 178.496 176.600 0.003 0.000 0.975 793 E CA 0.204 56.604 56.400 0.001 0.000 0.813 793 E CB -0.087 29.610 29.700 -0.005 0.000 0.768 793 E HN 0.040 nan 8.360 nan 0.000 0.457 794 L N 0.927 122.108 121.223 -0.069 0.000 1.997 794 L HA -0.205 4.136 4.340 0.001 0.000 0.216 794 L C 1.901 178.831 176.870 0.100 0.000 1.074 794 L CA 1.826 56.637 54.840 -0.048 0.000 0.763 794 L CB -0.552 41.391 42.059 -0.193 0.000 0.890 794 L HN 0.034 nan 8.230 nan 0.000 0.434 795 F N -0.109 119.859 119.950 0.030 0.000 2.408 795 F HA -0.013 4.514 4.527 0.001 0.000 0.300 795 F C 2.380 178.193 175.800 0.022 0.000 1.090 795 F CA 0.507 58.513 58.000 0.011 0.000 1.427 795 F CB -1.734 37.266 39.000 0.000 0.000 1.070 795 F HN 0.266 nan 8.300 nan 0.000 0.549 796 A N 0.170 123.105 122.820 0.191 0.000 1.878 796 A HA -0.095 4.226 4.320 0.001 0.000 0.213 796 A C 2.304 179.944 177.584 0.094 0.000 1.192 796 A CA 0.815 52.923 52.037 0.118 0.000 0.619 796 A CB -0.365 18.683 19.000 0.080 0.000 0.837 796 A HN 0.228 nan 8.150 nan 0.000 0.446 797 K N -0.612 119.841 120.400 0.087 0.000 2.063 797 K HA -0.138 4.182 4.320 0.001 0.000 0.208 797 K C 1.872 178.531 176.600 0.098 0.000 1.048 797 K CA 1.434 57.763 56.287 0.070 0.000 0.928 797 K CB -0.397 32.143 32.500 0.065 0.000 0.713 797 K HN 0.333 nan 8.250 nan 0.000 0.442 798 L N 1.239 122.561 121.223 0.164 0.000 2.027 798 L HA -0.138 4.202 4.340 0.001 0.000 0.206 798 L C 2.133 179.133 176.870 0.217 0.000 1.074 798 L CA 1.892 56.881 54.840 0.248 0.000 0.745 798 L CB -0.713 41.494 42.059 0.247 0.000 0.898 798 L HN 0.092 nan 8.230 nan 0.000 0.433 799 T N -0.526 114.110 114.554 0.135 0.000 2.881 799 T HA -0.147 4.204 4.350 0.001 0.000 0.270 799 T C 1.754 176.486 174.700 0.053 0.000 1.068 799 T CA 1.310 63.460 62.100 0.083 0.000 1.131 799 T CB -0.207 68.697 68.868 0.058 0.000 0.871 799 T HN 0.141 nan 8.240 nan 0.000 0.479 800 L N 1.216 122.460 121.223 0.035 0.000 1.988 800 L HA 0.127 4.467 4.340 0.001 0.000 0.207 800 L C 2.692 179.511 176.870 -0.084 0.000 1.071 800 L CA 1.912 56.743 54.840 -0.016 0.000 0.744 800 L CB -1.126 40.923 42.059 -0.017 0.000 0.893 800 L HN 0.209 nan 8.230 nan 0.000 0.433 801 A N -1.244 121.480 122.820 -0.161 0.000 1.908 801 A HA -0.181 4.140 4.320 0.001 0.000 0.218 801 A C 1.354 178.584 177.584 -0.592 0.000 1.181 801 A CA 1.789 53.539 52.037 -0.479 0.000 0.627 801 A CB -0.800 17.727 19.000 -0.788 0.000 0.818 801 A HN 0.424 nan 8.150 nan 0.000 0.445 802 F N 0.611 120.547 119.950 -0.024 0.000 2.928 802 F HA 0.257 4.785 4.527 0.001 0.000 0.337 802 F C 0.908 176.682 175.800 -0.043 0.000 1.259 802 F CA -0.201 57.776 58.000 -0.037 0.000 1.267 802 F CB 0.190 39.160 39.000 -0.050 0.000 0.986 802 F HN 0.116 nan 8.300 nan 0.000 0.507 803 S N 0.473 116.210 115.700 0.062 0.000 2.632 803 S HA 0.804 5.274 4.470 0.001 0.000 0.271 803 S C -0.043 174.570 174.600 0.021 0.000 1.260 803 S CA -0.669 57.552 58.200 0.035 0.000 1.010 803 S CB 1.956 65.162 63.200 0.011 0.000 0.965 803 S HN 0.261 nan 8.310 nan 0.000 0.534 804 A N 2.256 125.083 122.820 0.011 0.000 2.256 804 A HA 0.652 4.972 4.320 0.001 0.000 0.317 804 A C -0.117 177.465 177.584 -0.004 0.000 1.318 804 A CA -0.701 51.338 52.037 0.003 0.000 0.894 804 A CB 0.475 19.474 19.000 -0.002 0.000 1.165 804 A HN 0.734 nan 8.150 nan 0.000 0.525 830 K N 2.288 122.691 120.400 0.005 0.000 2.118 830 K HA 0.503 4.823 4.320 0.001 0.000 0.267 830 K C -0.087 176.511 176.600 -0.003 0.000 0.991 830 K CA -0.577 55.710 56.287 0.000 0.000 0.916 830 K CB 1.698 34.196 32.500 -0.003 0.000 1.041 830 K HN 0.774 nan 8.250 nan 0.000 0.455 831 E N 2.845 123.043 120.200 -0.005 0.000 2.313 831 E HA 0.042 4.392 4.350 0.001 0.000 0.276 831 E C -0.763 175.831 176.600 -0.010 0.000 1.031 831 E CA -0.714 55.683 56.400 -0.005 0.000 0.857 831 E CB 0.634 30.332 29.700 -0.003 0.000 1.040 831 E HN 0.214 nan 8.360 nan 0.000 0.408 832 L N 4.744 125.962 121.223 -0.008 0.000 2.426 832 L HA 0.090 4.430 4.340 0.001 0.000 0.271 832 L C 1.220 178.083 176.870 -0.011 0.000 1.169 832 L CA 0.785 55.618 54.840 -0.011 0.000 0.836 832 L CB 0.667 42.721 42.059 -0.008 0.000 1.112 832 L HN 0.663 nan 8.230 nan 0.000 0.465 833 K N 1.494 121.885 120.400 -0.014 0.000 2.464 833 K HA 0.235 4.555 4.320 0.001 0.000 0.206 833 K C 0.571 177.164 176.600 -0.012 0.000 1.186 833 K CA 0.220 56.499 56.287 -0.012 0.000 0.990 833 K CB 1.103 33.596 32.500 -0.012 0.000 1.003 833 K HN 0.475 nan 8.250 nan 0.000 0.562 834 V N 0.793 120.699 119.914 -0.014 0.000 3.279 834 V HA 0.128 4.249 4.120 0.001 0.000 0.213 834 V C 0.738 176.825 176.094 -0.012 0.000 1.335 834 V CA -0.206 62.086 62.300 -0.013 0.000 1.317 834 V CB 0.282 32.095 31.823 -0.017 0.000 1.209 834 V HN 0.049 nan 8.190 nan 0.000 0.525 835 L N 3.861 125.077 121.223 -0.011 0.000 2.514 835 L HA 0.079 4.419 4.340 0.001 0.000 0.280 835 L C 0.456 177.322 176.870 -0.007 0.000 1.223 835 L CA 0.098 54.934 54.840 -0.008 0.000 0.864 835 L CB -0.084 41.974 42.059 -0.003 0.000 1.118 835 L HN 0.548 nan 8.230 nan 0.000 0.494 836 D N 1.399 121.795 120.400 -0.007 0.000 2.362 836 D HA -0.081 4.559 4.640 0.001 0.000 0.238 836 D C 0.897 177.194 176.300 -0.005 0.000 1.212 836 D CA -0.157 53.839 54.000 -0.006 0.000 0.902 836 D CB 1.044 41.840 40.800 -0.008 0.000 1.180 836 D HN 0.486 nan 8.370 nan 0.000 0.445 837 S N 0.680 116.378 115.700 -0.004 0.000 2.353 837 S HA -0.206 4.264 4.470 0.001 0.000 0.222 837 S C 1.648 176.246 174.600 -0.002 0.000 1.035 837 S CA 1.370 59.568 58.200 -0.003 0.000 1.025 837 S CB -0.139 63.060 63.200 -0.002 0.000 0.902 837 S HN 0.470 nan 8.310 nan 0.000 0.440 838 K N -0.034 120.363 120.400 -0.004 0.000 1.977 838 K HA -0.107 4.214 4.320 0.001 0.000 0.218 838 K C 2.290 178.887 176.600 -0.006 0.000 1.051 838 K CA 1.949 58.233 56.287 -0.005 0.000 0.953 838 K CB -1.050 31.445 32.500 -0.008 0.000 0.727 838 K HN 0.342 nan 8.250 nan 0.000 0.445 839 T N 1.341 115.891 114.554 -0.008 0.000 2.680 839 T HA -0.264 4.087 4.350 0.001 0.000 0.268 839 T C 1.950 176.651 174.700 0.000 0.000 1.033 839 T CA 1.719 63.814 62.100 -0.008 0.000 1.152 839 T CB -0.427 68.437 68.868 -0.007 0.000 0.859 839 T HN 0.433 nan 8.240 nan 0.000 0.452 840 A N 1.238 124.059 122.820 0.002 0.000 1.877 840 A HA -0.191 4.129 4.320 0.001 0.000 0.216 840 A C 2.309 179.898 177.584 0.009 0.000 1.186 840 A CA 1.692 53.733 52.037 0.006 0.000 0.620 840 A CB -0.610 18.391 19.000 0.003 0.000 0.822 840 A HN 0.609 nan 8.150 nan 0.000 0.443 841 Q N -0.521 119.283 119.800 0.007 0.000 2.123 841 Q HA -0.140 4.201 4.340 0.001 0.000 0.199 841 Q C 1.852 177.862 176.000 0.017 0.000 0.966 841 Q CA 1.210 57.019 55.803 0.011 0.000 0.845 841 Q CB -0.264 28.479 28.738 0.008 0.000 0.907 841 Q HN 0.625 nan 8.270 nan 0.000 0.439 842 N N 1.213 119.919 118.700 0.011 0.000 2.025 842 N HA -0.147 4.594 4.740 0.001 0.000 0.194 842 N C 1.881 177.416 175.510 0.042 0.000 1.044 842 N CA 1.090 54.148 53.050 0.013 0.000 0.851 842 N CB -0.468 38.009 38.487 -0.017 0.000 1.036 842 N HN 0.186 nan 8.380 nan 0.000 0.422 843 L N 0.544 121.783 121.223 0.027 0.000 2.079 843 L HA -0.161 4.179 4.340 0.001 0.000 0.210 843 L C 2.492 179.390 176.870 0.047 0.000 1.081 843 L CA 0.992 55.859 54.840 0.046 0.000 0.752 843 L CB -0.433 41.636 42.059 0.017 0.000 0.896 843 L HN 0.217 nan 8.230 nan 0.000 0.433 844 S N -0.006 115.713 115.700 0.033 0.000 2.382 844 S HA -0.147 4.324 4.470 0.001 0.000 0.228 844 S C 1.882 176.502 174.600 0.035 0.000 1.027 844 S CA 1.137 59.353 58.200 0.028 0.000 0.991 844 S CB -0.084 63.129 63.200 0.023 0.000 0.823 844 S HN 0.339 nan 8.310 nan 0.000 0.469 845 I N -0.086 120.515 120.570 0.052 0.000 2.400 845 I HA 0.020 4.191 4.170 0.001 0.000 0.248 845 I C 2.078 178.242 176.117 0.079 0.000 1.109 845 I CA 0.833 62.167 61.300 0.056 0.000 1.425 845 I CB -0.355 37.680 38.000 0.058 0.000 1.094 845 I HN 0.364 nan 8.210 nan 0.000 0.425 846 F N 2.052 121.973 119.950 -0.048 0.000 2.075 846 F HA -0.200 4.328 4.527 0.001 0.000 0.297 846 F C 2.085 177.865 175.800 -0.034 0.000 1.113 846 F CA 1.730 59.691 58.000 -0.065 0.000 1.218 846 F CB -0.483 38.430 39.000 -0.144 0.000 0.984 846 F HN -0.126 nan 8.300 nan 0.000 0.472 847 L N 0.165 121.212 121.223 -0.293 0.000 2.450 847 L HA -0.103 4.238 4.340 0.001 0.000 0.224 847 L C 2.545 179.356 176.870 -0.099 0.000 1.149 847 L CA 0.908 55.571 54.840 -0.295 0.000 0.816 847 L CB -1.311 40.669 42.059 -0.131 0.000 0.932 847 L HN 0.438 nan 8.230 nan 0.000 0.449 848 G N -1.602 107.156 108.800 -0.071 0.000 2.426 848 G HA2 -0.182 3.778 3.960 0.001 0.000 0.214 848 G HA3 -0.182 3.778 3.960 0.001 0.000 0.214 848 G C 1.749 176.624 174.900 -0.042 0.000 1.156 848 G CA 0.749 45.832 45.100 -0.028 0.000 0.802 848 G HN 0.303 nan 8.290 nan 0.000 0.534 849 S N -0.746 114.922 115.700 -0.053 0.000 2.406 849 S HA 0.045 4.515 4.470 0.001 0.000 0.224 849 S C 1.966 176.538 174.600 -0.047 0.000 1.030 849 S CA 0.478 58.659 58.200 -0.031 0.000 0.958 849 S CB -0.338 62.870 63.200 0.014 0.000 0.811 849 S HN 0.225 nan 8.310 nan 0.000 0.489 850 F N 2.268 122.011 119.950 -0.346 0.000 2.046 850 F HA 0.182 4.709 4.527 0.001 0.000 0.297 850 F C 1.125 176.800 175.800 -0.208 0.000 1.123 850 F CA 1.727 59.504 58.000 -0.372 0.000 1.199 850 F CB -0.289 38.252 39.000 -0.764 0.000 0.972 850 F HN 0.155 nan 8.300 nan 0.000 0.474 851 R N 0.660 121.086 120.500 -0.124 0.000 2.873 851 R HA -0.193 4.148 4.340 0.001 0.000 0.281 851 R C -0.737 175.409 176.300 -0.256 0.000 0.933 851 R CA 0.747 56.756 56.100 -0.152 0.000 0.712 851 R CB -1.572 28.643 30.300 -0.141 0.000 1.780 851 R HN 0.513 nan 8.270 nan 0.000 0.488 852 M N 1.777 121.287 119.600 -0.149 0.000 2.534 852 M HA 0.444 4.924 4.480 0.001 0.000 0.280 852 M C -2.651 173.653 176.300 0.008 0.000 1.217 852 M CA -2.028 53.193 55.300 -0.132 0.000 0.893 852 M CB 2.435 34.883 32.600 -0.253 0.000 1.730 852 M HN -0.106 nan 8.290 nan 0.000 0.483 853 P HA 0.124 nan 4.420 nan 0.000 0.268 853 P C -0.535 176.856 177.300 0.151 0.000 1.204 853 P CA -0.004 63.060 63.100 -0.061 0.000 0.768 853 P CB 0.099 31.781 31.700 -0.031 0.000 0.842 854 Y N 1.003 121.428 120.300 0.207 0.000 2.483 854 Y HA -0.132 4.418 4.550 0.001 0.000 0.291 854 Y C 2.340 178.362 175.900 0.203 0.000 1.143 854 Y CA 0.915 59.192 58.100 0.295 0.000 1.289 854 Y CB -0.889 37.782 38.460 0.351 0.000 0.983 854 Y HN 0.410 nan 8.280 nan 0.000 0.556 855 Q N 0.189 120.134 119.800 0.242 0.000 2.165 855 Q HA -0.065 4.275 4.340 0.001 0.000 0.197 855 Q C 2.020 178.100 176.000 0.134 0.000 0.952 855 Q CA 1.079 56.971 55.803 0.147 0.000 0.848 855 Q CB 0.031 28.813 28.738 0.073 0.000 0.931 855 Q HN 0.382 nan 8.270 nan 0.000 0.470 856 E N 0.260 120.537 120.200 0.128 0.000 2.023 856 E HA -0.213 4.137 4.350 0.001 0.000 0.196 856 E C 2.000 178.703 176.600 0.171 0.000 1.003 856 E CA 1.602 58.072 56.400 0.118 0.000 0.809 856 E CB -0.257 29.494 29.700 0.086 0.000 0.755 856 E HN 0.442 nan 8.360 nan 0.000 0.449 857 I N 1.207 121.935 120.570 0.263 0.000 2.145 857 I HA -0.355 3.816 4.170 0.001 0.000 0.244 857 I C 2.734 178.993 176.117 0.235 0.000 1.075 857 I CA 1.404 62.900 61.300 0.327 0.000 1.332 857 I CB -0.386 37.912 38.000 0.496 0.000 1.033 857 I HN 0.104 nan 8.210 nan 0.000 0.410 858 K N 1.044 121.562 120.400 0.197 0.000 2.103 858 K HA -0.229 4.092 4.320 0.001 0.000 0.207 858 K C 1.756 178.420 176.600 0.106 0.000 1.048 858 K CA 2.072 58.433 56.287 0.123 0.000 0.930 858 K CB -0.075 32.479 32.500 0.091 0.000 0.716 858 K HN 0.329 nan 8.250 nan 0.000 0.444 859 N N -0.108 118.656 118.700 0.107 0.000 2.062 859 N HA -0.144 4.597 4.740 0.001 0.000 0.191 859 N C 1.727 177.292 175.510 0.092 0.000 1.042 859 N CA 1.649 54.752 53.050 0.087 0.000 0.845 859 N CB -0.168 38.363 38.487 0.073 0.000 1.024 859 N HN -0.087 nan 8.380 nan 0.000 0.424 860 V N 1.572 121.548 119.914 0.104 0.000 2.277 860 V HA -0.293 3.827 4.120 0.001 0.000 0.253 860 V C 2.033 178.190 176.094 0.104 0.000 1.067 860 V CA 1.646 64.008 62.300 0.102 0.000 1.047 860 V CB -0.757 31.141 31.823 0.125 0.000 0.649 860 V HN 0.348 nan 8.190 nan 0.000 0.447 861 I N -0.754 119.888 120.570 0.119 0.000 2.286 861 I HA -0.249 3.921 4.170 0.001 0.000 0.248 861 I C 2.297 178.491 176.117 0.128 0.000 1.115 861 I CA 1.550 62.922 61.300 0.120 0.000 1.392 861 I CB -0.306 37.763 38.000 0.115 0.000 1.065 861 I HN 0.286 nan 8.210 nan 0.000 0.418 862 L N 0.073 121.366 121.223 0.116 0.000 2.049 862 L HA -0.129 4.212 4.340 0.001 0.000 0.203 862 L C 2.395 179.341 176.870 0.127 0.000 1.074 862 L CA 1.323 56.240 54.840 0.129 0.000 0.749 862 L CB -0.532 41.587 42.059 0.100 0.000 0.907 862 L HN 0.158 nan 8.230 nan 0.000 0.439 863 E N -0.291 119.965 120.200 0.093 0.000 2.204 863 E HA -0.092 4.259 4.350 0.001 0.000 0.194 863 E C 0.700 177.333 176.600 0.055 0.000 0.989 863 E CA 0.756 57.198 56.400 0.070 0.000 0.824 863 E CB 0.288 30.021 29.700 0.055 0.000 0.756 863 E HN 0.221 nan 8.360 nan 0.000 0.477 864 V N 1.615 121.566 119.914 0.062 0.000 5.306 864 V HA -0.266 3.855 4.120 0.001 0.000 0.296 864 V C 0.229 176.333 176.094 0.016 0.000 0.463 864 V CA 0.759 63.077 62.300 0.030 0.000 0.715 864 V CB -2.356 29.456 31.823 -0.018 0.000 0.548 864 V HN 0.518 nan 8.190 nan 0.000 1.307 865 N N 1.623 120.344 118.700 0.035 0.000 2.396 865 N HA -0.042 4.698 4.740 0.001 0.000 0.287 865 N C 0.982 176.507 175.510 0.025 0.000 1.316 865 N CA 0.570 53.638 53.050 0.030 0.000 0.972 865 N CB 0.451 38.962 38.487 0.040 0.000 1.341 865 N HN 0.722 nan 8.380 nan 0.000 0.487 866 E N 2.175 122.381 120.200 0.011 0.000 2.516 866 E HA -0.077 4.274 4.350 0.001 0.000 0.199 866 E C 1.157 177.766 176.600 0.014 0.000 1.069 866 E CA 0.129 56.533 56.400 0.007 0.000 0.876 866 E CB 0.176 29.872 29.700 -0.008 0.000 0.843 866 E HN 0.694 nan 8.360 nan 0.000 0.530 867 A N 0.329 123.159 122.820 0.017 0.000 2.208 867 A HA 0.031 4.352 4.320 0.001 0.000 0.209 867 A C 1.960 179.557 177.584 0.022 0.000 1.161 867 A CA 0.448 52.495 52.037 0.016 0.000 0.782 867 A CB 0.382 19.390 19.000 0.013 0.000 0.816 867 A HN 0.102 nan 8.150 nan 0.000 0.477 868 V N -0.754 119.180 119.914 0.033 0.000 3.137 868 V HA 0.187 4.307 4.120 0.001 0.000 0.236 868 V C 0.906 177.039 176.094 0.065 0.000 1.260 868 V CA -0.173 62.154 62.300 0.044 0.000 1.244 868 V CB -0.467 31.389 31.823 0.054 0.000 1.016 868 V HN 0.387 nan 8.190 nan 0.000 0.477 869 L N 2.196 123.458 121.223 0.066 0.000 2.506 869 L HA 0.286 4.626 4.340 0.001 0.000 0.281 869 L C 0.473 177.381 176.870 0.063 0.000 1.228 869 L CA 1.115 56.000 54.840 0.075 0.000 0.850 869 L CB 0.362 42.451 42.059 0.051 0.000 1.110 869 L HN 0.512 nan 8.230 nan 0.000 0.496 870 T N -2.305 112.295 114.554 0.077 0.000 2.883 870 T HA 0.200 4.551 4.350 0.001 0.000 0.301 870 T C 0.490 175.226 174.700 0.059 0.000 1.158 870 T CA -0.866 61.272 62.100 0.062 0.000 1.007 870 T CB 1.826 70.737 68.868 0.072 0.000 1.186 870 T HN 0.669 nan 8.240 nan 0.000 0.499 871 E N 0.647 120.874 120.200 0.044 0.000 2.049 871 E HA -0.210 4.140 4.350 0.001 0.000 0.198 871 E C 2.068 178.699 176.600 0.051 0.000 1.007 871 E CA 1.892 58.316 56.400 0.041 0.000 0.809 871 E CB -0.216 29.504 29.700 0.033 0.000 0.749 871 E HN 0.696 nan 8.360 nan 0.000 0.450 872 S N 0.284 116.020 115.700 0.060 0.000 2.359 872 S HA -0.253 4.218 4.470 0.001 0.000 0.223 872 S C 2.072 176.729 174.600 0.095 0.000 1.039 872 S CA 1.929 60.173 58.200 0.072 0.000 1.042 872 S CB -0.265 62.984 63.200 0.081 0.000 0.915 872 S HN 0.346 nan 8.310 nan 0.000 0.439 873 M N 0.228 119.907 119.600 0.131 0.000 2.132 873 M HA 0.021 4.502 4.480 0.001 0.000 0.263 873 M C 1.674 178.039 176.300 0.108 0.000 1.065 873 M CA 1.470 56.882 55.300 0.186 0.000 1.122 873 M CB -0.166 32.592 32.600 0.263 0.000 1.365 873 M HN 0.358 nan 8.290 nan 0.000 0.411 874 I N -0.055 120.565 120.570 0.083 0.000 2.830 874 I HA -0.209 3.962 4.170 0.001 0.000 0.263 874 I C 1.865 177.992 176.117 0.018 0.000 1.230 874 I CA 1.265 62.597 61.300 0.054 0.000 1.480 874 I CB -0.814 37.219 38.000 0.055 0.000 1.095 874 I HN 0.509 nan 8.210 nan 0.000 0.455 875 Q N 0.139 119.947 119.800 0.014 0.000 2.424 875 Q HA -0.029 4.311 4.340 0.001 0.000 0.204 875 Q C 1.667 177.626 176.000 -0.068 0.000 0.933 875 Q CA 0.462 56.257 55.803 -0.013 0.000 0.929 875 Q CB 0.238 28.979 28.738 0.006 0.000 1.037 875 Q HN 0.592 nan 8.270 nan 0.000 0.511 876 N N -0.252 118.396 118.700 -0.086 0.000 2.207 876 N HA -0.044 4.697 4.740 0.001 0.000 0.182 876 N C 1.572 176.811 175.510 -0.452 0.000 1.020 876 N CA 0.534 53.433 53.050 -0.251 0.000 0.858 876 N CB 0.183 38.602 38.487 -0.113 0.000 0.991 876 N HN 0.102 nan 8.380 nan 0.000 0.427 877 L N 1.147 122.211 121.223 -0.265 0.000 2.046 877 L HA -0.119 4.222 4.340 0.001 0.000 0.208 877 L C 2.097 178.883 176.870 -0.140 0.000 1.077 877 L CA 1.040 55.762 54.840 -0.197 0.000 0.747 877 L CB -0.439 41.613 42.059 -0.012 0.000 0.896 877 L HN 0.237 nan 8.230 nan 0.000 0.432 878 I N -0.300 120.212 120.570 -0.096 0.000 2.361 878 I HA -0.298 3.873 4.170 0.001 0.000 0.251 878 I C 2.641 178.697 176.117 -0.102 0.000 1.133 878 I CA 1.280 62.540 61.300 -0.067 0.000 1.413 878 I CB -0.394 37.586 38.000 -0.034 0.000 1.073 878 I HN 0.300 nan 8.210 nan 0.000 0.424 879 K N 0.548 120.850 120.400 -0.163 0.000 2.116 879 K HA -0.131 4.189 4.320 0.001 0.000 0.203 879 K C 2.043 178.518 176.600 -0.208 0.000 1.052 879 K CA 1.013 57.198 56.287 -0.171 0.000 0.952 879 K CB 0.236 32.623 32.500 -0.190 0.000 0.729 879 K HN 0.272 nan 8.250 nan 0.000 0.446 880 Q N -0.371 119.234 119.800 -0.325 0.000 2.376 880 Q HA 0.084 4.425 4.340 0.001 0.000 0.206 880 Q C 0.456 176.380 176.000 -0.128 0.000 0.921 880 Q CA 0.098 55.705 55.803 -0.326 0.000 0.911 880 Q CB 0.212 28.513 28.738 -0.728 0.000 1.032 880 Q HN 0.223 nan 8.270 nan 0.000 0.510 881 M N 2.791 122.351 119.600 -0.066 0.000 2.290 881 M HA 0.047 4.527 4.480 0.001 0.000 0.356 881 M C -2.026 174.277 176.300 0.006 0.000 1.448 881 M CA -1.604 53.717 55.300 0.035 0.000 0.993 881 M CB -0.628 31.978 32.600 0.009 0.000 1.934 881 M HN -0.123 nan 8.290 nan 0.000 0.461 882 P HA 0.043 nan 4.420 nan 0.000 0.269 882 P C -0.178 177.111 177.300 -0.018 0.000 1.217 882 P CA -0.225 62.874 63.100 -0.001 0.000 0.783 882 P CB 0.438 32.138 31.700 -0.000 0.000 0.898 883 E N 2.472 122.659 120.200 -0.020 0.000 2.442 883 E HA -0.042 4.308 4.350 0.001 0.000 0.260 883 E C -1.556 175.027 176.600 -0.028 0.000 1.148 883 E CA -0.794 55.592 56.400 -0.023 0.000 0.976 883 E CB -0.458 29.230 29.700 -0.020 0.000 0.967 883 E HN 0.297 nan 8.360 nan 0.000 0.454 884 P HA -0.078 nan 4.420 nan 0.000 0.221 884 P C 0.189 177.469 177.300 -0.033 0.000 1.150 884 P CA 1.169 64.248 63.100 -0.034 0.000 0.800 884 P CB 0.246 31.927 31.700 -0.032 0.000 0.787 885 E N -0.171 120.012 120.200 -0.027 0.000 2.106 885 E HA -0.174 4.177 4.350 0.001 0.000 0.192 885 E C 2.074 178.659 176.600 -0.025 0.000 0.984 885 E CA 1.019 57.404 56.400 -0.025 0.000 0.806 885 E CB -0.581 29.107 29.700 -0.020 0.000 0.750 885 E HN 0.412 nan 8.360 nan 0.000 0.458 886 Q N -0.018 119.767 119.800 -0.025 0.000 2.297 886 Q HA -0.040 4.301 4.340 0.001 0.000 0.204 886 Q C 2.051 178.032 176.000 -0.033 0.000 0.962 886 Q CA 0.699 56.487 55.803 -0.025 0.000 0.879 886 Q CB 0.089 28.815 28.738 -0.020 0.000 0.947 886 Q HN 0.340 nan 8.270 nan 0.000 0.462 887 L N 0.317 121.515 121.223 -0.041 0.000 2.162 887 L HA -0.052 4.289 4.340 0.001 0.000 0.205 887 L C 2.464 179.307 176.870 -0.046 0.000 1.086 887 L CA 0.691 55.498 54.840 -0.055 0.000 0.778 887 L CB -0.255 41.761 42.059 -0.071 0.000 0.928 887 L HN 0.110 nan 8.230 nan 0.000 0.446 888 K N 0.508 120.884 120.400 -0.040 0.000 2.097 888 K HA -0.165 4.155 4.320 0.001 0.000 0.206 888 K C 2.156 178.740 176.600 -0.027 0.000 1.049 888 K CA 1.432 57.698 56.287 -0.034 0.000 0.933 888 K CB 0.017 32.498 32.500 -0.032 0.000 0.717 888 K HN 0.203 nan 8.250 nan 0.000 0.442 889 M N 0.331 119.917 119.600 -0.025 0.000 2.254 889 M HA -0.100 4.380 4.480 0.001 0.000 0.265 889 M C 1.797 178.086 176.300 -0.018 0.000 1.066 889 M CA 1.153 56.441 55.300 -0.019 0.000 1.123 889 M CB 0.118 32.707 32.600 -0.018 0.000 1.388 889 M HN 0.145 nan 8.290 nan 0.000 0.425 890 L N -0.948 120.262 121.223 -0.023 0.000 2.341 890 L HA -0.052 4.288 4.340 0.001 0.000 0.214 890 L C 2.573 179.436 176.870 -0.011 0.000 1.115 890 L CA 0.761 55.589 54.840 -0.020 0.000 0.820 890 L CB -0.411 41.628 42.059 -0.032 0.000 0.944 890 L HN 0.326 nan 8.230 nan 0.000 0.452 891 S N -0.627 115.062 115.700 -0.018 0.000 2.481 891 S HA -0.123 4.347 4.470 0.001 0.000 0.231 891 S C 1.389 175.986 174.600 -0.004 0.000 0.996 891 S CA 0.697 58.890 58.200 -0.012 0.000 0.942 891 S CB -0.214 62.970 63.200 -0.026 0.000 0.768 891 S HN 0.505 nan 8.310 nan 0.000 0.520 892 E N 0.020 120.217 120.200 -0.006 0.000 2.463 892 E HA 0.217 4.567 4.350 0.001 0.000 0.193 892 E C -0.417 176.186 176.600 0.005 0.000 1.041 892 E CA -0.057 56.342 56.400 -0.002 0.000 0.879 892 E CB 0.252 29.948 29.700 -0.007 0.000 0.997 892 E HN 0.379 nan 8.360 nan 0.000 0.478 893 L N 0.497 121.727 121.223 0.011 0.000 3.289 893 L HA 0.087 4.428 4.340 0.001 0.000 0.291 893 L C 1.218 178.115 176.870 0.045 0.000 1.279 893 L CA 0.123 54.975 54.840 0.020 0.000 1.025 893 L CB 0.388 42.453 42.059 0.009 0.000 1.413 893 L HN -0.037 nan 8.230 nan 0.000 0.593 894 K N -1.021 119.412 120.400 0.055 0.000 2.574 894 K HA -0.034 4.287 4.320 0.001 0.000 0.193 894 K C 0.698 177.363 176.600 0.108 0.000 1.035 894 K CA 0.689 57.037 56.287 0.101 0.000 0.982 894 K CB 0.225 32.769 32.500 0.074 0.000 0.795 894 K HN 0.230 nan 8.250 nan 0.000 0.491 895 E N 2.216 122.461 120.200 0.074 0.000 2.051 895 E HA -0.119 4.231 4.350 0.001 0.000 0.189 895 E C 0.932 177.582 176.600 0.084 0.000 0.979 895 E CA 1.147 57.586 56.400 0.064 0.000 0.803 895 E CB -0.019 29.704 29.700 0.038 0.000 0.761 895 E HN 0.674 nan 8.360 nan 0.000 0.451 896 E N 0.326 120.572 120.200 0.077 0.000 2.320 896 E HA -0.005 4.345 4.350 0.001 0.000 0.189 896 E C 1.119 177.780 176.600 0.101 0.000 1.100 896 E CA -0.266 56.176 56.400 0.071 0.000 1.009 896 E CB -0.470 29.251 29.700 0.035 0.000 1.145 896 E HN 0.256 nan 8.360 nan 0.000 0.454 897 Y N 2.308 122.622 120.300 0.023 0.000 2.151 897 Y HA -0.286 4.264 4.550 0.001 0.000 0.284 897 Y C 1.581 177.507 175.900 0.045 0.000 1.166 897 Y CA 1.898 60.019 58.100 0.036 0.000 1.163 897 Y CB 0.203 38.685 38.460 0.038 0.000 0.974 897 Y HN 0.071 nan 8.280 nan 0.000 0.511 898 D N -0.182 120.401 120.400 0.304 0.000 2.312 898 D HA -0.130 4.510 4.640 0.001 0.000 0.211 898 D C 1.083 177.424 176.300 0.068 0.000 0.964 898 D CA 1.116 55.240 54.000 0.207 0.000 0.877 898 D CB -0.129 40.775 40.800 0.172 0.000 0.924 898 D HN 0.563 nan 8.370 nan 0.000 0.515 899 D N 0.197 120.620 120.400 0.038 0.000 2.333 899 D HA 0.042 4.683 4.640 0.001 0.000 0.208 899 D C 1.107 177.392 176.300 -0.024 0.000 0.984 899 D CA 0.097 54.104 54.000 0.011 0.000 0.873 899 D CB 0.779 41.590 40.800 0.018 0.000 0.935 899 D HN 0.221 nan 8.370 nan 0.000 0.521 900 L N 0.921 122.099 121.223 -0.075 0.000 2.453 900 L HA 0.343 4.683 4.340 0.001 0.000 0.261 900 L C 0.887 177.702 176.870 -0.092 0.000 1.179 900 L CA -0.760 54.017 54.840 -0.105 0.000 0.813 900 L CB 0.687 42.634 42.059 -0.186 0.000 1.110 900 L HN -0.114 nan 8.230 nan 0.000 0.466 901 A N 1.398 124.183 122.820 -0.059 0.000 2.296 901 A HA 0.161 4.482 4.320 0.001 0.000 0.264 901 A C 1.128 178.699 177.584 -0.021 0.000 1.097 901 A CA -0.333 51.688 52.037 -0.026 0.000 0.811 901 A CB 0.279 19.273 19.000 -0.010 0.000 1.072 901 A HN 0.883 nan 8.150 nan 0.000 0.495 902 E N 0.726 120.948 120.200 0.037 0.000 2.048 902 E HA -0.254 4.096 4.350 0.001 0.000 0.202 902 E C 2.325 178.935 176.600 0.017 0.000 1.021 902 E CA 2.093 58.562 56.400 0.115 0.000 0.825 902 E CB -0.651 29.144 29.700 0.158 0.000 0.756 902 E HN 0.893 nan 8.360 nan 0.000 0.454 903 S N 1.087 116.788 115.700 0.001 0.000 2.407 903 S HA -0.244 4.227 4.470 0.001 0.000 0.235 903 S C 1.779 176.382 174.600 0.005 0.000 1.036 903 S CA 1.631 59.828 58.200 -0.005 0.000 1.013 903 S CB -0.385 62.820 63.200 0.008 0.000 0.820 903 S HN 0.306 nan 8.310 nan 0.000 0.476 904 E N 0.752 120.932 120.200 -0.033 0.000 2.250 904 E HA 0.002 4.352 4.350 0.001 0.000 0.192 904 E C 2.414 178.944 176.600 -0.116 0.000 0.986 904 E CA 0.458 56.823 56.400 -0.058 0.000 0.849 904 E CB -0.165 29.497 29.700 -0.064 0.000 0.797 904 E HN 0.667 nan 8.360 nan 0.000 0.482 905 Q N 0.376 120.069 119.800 -0.179 0.000 2.030 905 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 905 Q C 2.005 177.985 176.000 -0.034 0.000 0.986 905 Q CA 1.639 57.276 55.803 -0.278 0.000 0.843 905 Q CB -0.280 28.329 28.738 -0.216 0.000 0.904 905 Q HN 0.229 nan 8.270 nan 0.000 0.420 906 F N 0.872 120.584 119.950 -0.397 0.000 2.091 906 F HA -0.173 4.354 4.527 0.001 0.000 0.299 906 F C 2.008 177.709 175.800 -0.166 0.000 1.103 906 F CA 1.865 59.571 58.000 -0.490 0.000 1.228 906 F CB -0.768 37.792 39.000 -0.734 0.000 0.984 906 F HN 0.042 nan 8.300 nan 0.000 0.477 907 G N -0.063 108.630 108.800 -0.179 0.000 2.440 907 G HA2 -0.230 3.731 3.960 0.001 0.000 0.218 907 G HA3 -0.230 3.731 3.960 0.001 0.000 0.218 907 G C 1.728 176.519 174.900 -0.182 0.000 1.154 907 G CA 1.273 46.248 45.100 -0.208 0.000 0.767 907 G HN 0.377 nan 8.290 nan 0.000 0.552 908 V N 0.353 120.217 119.914 -0.084 0.000 2.427 908 V HA -0.135 3.986 4.120 0.001 0.000 0.248 908 V C 2.990 179.085 176.094 0.001 0.000 1.051 908 V CA 1.273 63.574 62.300 0.001 0.000 1.048 908 V CB -0.141 31.755 31.823 0.123 0.000 0.666 908 V HN 0.254 nan 8.190 nan 0.000 0.456 909 V N -0.182 119.733 119.914 0.002 0.000 2.261 909 V HA -0.280 3.841 4.120 0.001 0.000 0.246 909 V C 2.489 178.510 176.094 -0.123 0.000 1.047 909 V CA 2.036 64.330 62.300 -0.010 0.000 1.015 909 V CB -0.609 31.255 31.823 0.067 0.000 0.642 909 V HN 0.423 nan 8.190 nan 0.000 0.446 910 M N 0.590 120.007 119.600 -0.305 0.000 2.296 910 M HA 0.012 4.492 4.480 0.001 0.000 0.265 910 M C 2.207 178.399 176.300 -0.181 0.000 1.064 910 M CA 1.653 56.773 55.300 -0.299 0.000 1.109 910 M CB -1.775 30.504 32.600 -0.535 0.000 1.396 910 M HN 0.438 nan 8.290 nan 0.000 0.430 911 G N -0.505 108.202 108.800 -0.154 0.000 2.653 911 G HA2 -0.111 3.850 3.960 0.001 0.000 0.212 911 G HA3 -0.111 3.850 3.960 0.001 0.000 0.212 911 G C 1.550 176.406 174.900 -0.074 0.000 1.138 911 G CA 1.053 46.094 45.100 -0.098 0.000 0.782 911 G HN 0.405 nan 8.290 nan 0.000 0.535 912 T N -0.045 114.465 114.554 -0.073 0.000 3.021 912 T HA 0.101 4.451 4.350 0.001 0.000 0.245 912 T C 1.126 175.792 174.700 -0.058 0.000 1.028 912 T CA -0.164 61.903 62.100 -0.054 0.000 1.139 912 T CB 0.150 68.996 68.868 -0.037 0.000 0.884 912 T HN -0.067 nan 8.240 nan 0.000 0.457 913 V N 5.027 124.906 119.914 -0.058 0.000 2.458 913 V HA 0.134 4.255 4.120 0.001 0.000 0.287 913 V C -2.275 173.776 176.094 -0.072 0.000 1.009 913 V CA -1.330 60.941 62.300 -0.048 0.000 1.091 913 V CB -0.072 31.734 31.823 -0.029 0.000 0.960 913 V HN 0.270 nan 8.190 nan 0.000 0.476 914 P HA 0.207 nan 4.420 nan 0.000 0.271 914 P C 0.038 177.227 177.300 -0.185 0.000 1.216 914 P CA -0.347 62.651 63.100 -0.170 0.000 0.771 914 P CB 0.322 31.869 31.700 -0.254 0.000 0.864 915 R N 1.041 121.441 120.500 -0.166 0.000 3.127 915 R HA -0.189 4.152 4.340 0.001 0.000 0.247 915 R C 0.675 176.953 176.300 -0.037 0.000 0.896 915 R CA 0.110 56.152 56.100 -0.097 0.000 0.624 915 R CB -2.341 27.899 30.300 -0.101 0.000 1.154 915 R HN 0.491 nan 8.270 nan 0.000 0.474 916 L N 0.846 122.043 121.223 -0.043 0.000 2.005 916 L HA -0.066 4.275 4.340 0.001 0.000 0.207 916 L C 2.543 179.410 176.870 -0.006 0.000 1.072 916 L CA 1.867 56.692 54.840 -0.025 0.000 0.744 916 L CB -0.252 41.782 42.059 -0.040 0.000 0.895 916 L HN 0.332 nan 8.230 nan 0.000 0.433 917 R N -0.375 120.120 120.500 -0.009 0.000 2.083 917 R HA -0.128 4.212 4.340 0.001 0.000 0.237 917 R C -0.233 176.078 176.300 0.019 0.000 1.137 917 R CA 2.046 58.147 56.100 0.002 0.000 0.951 917 R CB -1.559 28.737 30.300 -0.006 0.000 0.851 917 R HN 0.378 nan 8.270 nan 0.000 0.434 918 P HA -0.206 nan 4.420 nan 0.000 0.216 918 P C 0.777 178.111 177.300 0.057 0.000 1.150 918 P CA 1.301 64.425 63.100 0.040 0.000 0.843 918 P CB -0.053 31.678 31.700 0.051 0.000 0.787 919 R N -0.632 119.873 120.500 0.008 0.000 2.075 919 R HA -0.088 4.252 4.340 0.001 0.000 0.232 919 R C 1.896 178.290 176.300 0.157 0.000 1.126 919 R CA 1.196 57.318 56.100 0.036 0.000 0.963 919 R CB -0.723 29.541 30.300 -0.059 0.000 0.858 919 R HN 0.094 nan 8.270 nan 0.000 0.435 920 L N 1.156 122.432 121.223 0.088 0.000 2.072 920 L HA -0.088 4.253 4.340 0.001 0.000 0.205 920 L C 1.900 178.817 176.870 0.078 0.000 1.079 920 L CA 1.435 56.323 54.840 0.079 0.000 0.752 920 L CB -0.802 41.287 42.059 0.050 0.000 0.906 920 L HN 0.150 nan 8.230 nan 0.000 0.436 921 N N 0.065 118.809 118.700 0.073 0.000 2.018 921 N HA -0.214 4.526 4.740 0.001 0.000 0.196 921 N C 1.871 177.444 175.510 0.105 0.000 1.043 921 N CA 1.871 54.965 53.050 0.074 0.000 0.856 921 N CB -0.550 37.968 38.487 0.052 0.000 1.042 921 N HN 0.361 nan 8.380 nan 0.000 0.423 922 A N 0.931 123.828 122.820 0.128 0.000 1.908 922 A HA -0.093 4.227 4.320 0.001 0.000 0.218 922 A C 2.306 179.909 177.584 0.031 0.000 1.181 922 A CA 1.070 53.181 52.037 0.124 0.000 0.627 922 A CB -0.706 18.408 19.000 0.190 0.000 0.818 922 A HN 0.299 nan 8.150 nan 0.000 0.445 923 I N -0.971 119.625 120.570 0.044 0.000 2.286 923 I HA -0.219 3.951 4.170 0.001 0.000 0.248 923 I C 2.464 178.552 176.117 -0.048 0.000 1.115 923 I CA 1.220 62.498 61.300 -0.038 0.000 1.392 923 I CB -0.421 37.599 38.000 0.034 0.000 1.065 923 I HN 0.392 nan 8.210 nan 0.000 0.418 924 L N 0.856 122.096 121.223 0.029 0.000 1.988 924 L HA -0.212 4.128 4.340 0.001 0.000 0.207 924 L C 2.411 179.325 176.870 0.073 0.000 1.071 924 L CA 1.721 56.591 54.840 0.049 0.000 0.744 924 L CB -0.955 41.152 42.059 0.079 0.000 0.893 924 L HN 0.126 nan 8.230 nan 0.000 0.433 925 F N 0.848 120.791 119.950 -0.012 0.000 2.176 925 F HA -0.338 4.189 4.527 0.001 0.000 0.301 925 F C 2.493 178.318 175.800 0.042 0.000 1.071 925 F CA 2.401 60.435 58.000 0.056 0.000 1.289 925 F CB -0.349 38.701 39.000 0.084 0.000 1.028 925 F HN 0.234 nan 8.300 nan 0.000 0.494 926 K N 0.249 120.445 120.400 -0.340 0.000 2.062 926 K HA -0.097 4.223 4.320 0.001 0.000 0.205 926 K C 2.139 178.582 176.600 -0.262 0.000 1.051 926 K CA 1.441 57.288 56.287 -0.733 0.000 0.941 926 K CB -0.309 31.519 32.500 -1.121 0.000 0.719 926 K HN 0.410 nan 8.250 nan 0.000 0.440 927 L N 0.701 121.832 121.223 -0.152 0.000 2.191 927 L HA -0.170 4.171 4.340 0.001 0.000 0.212 927 L C 2.100 178.962 176.870 -0.013 0.000 1.103 927 L CA 1.258 56.064 54.840 -0.056 0.000 0.769 927 L CB -0.147 41.897 42.059 -0.026 0.000 0.908 927 L HN 0.337 nan 8.230 nan 0.000 0.438 928 Q N -1.913 117.881 119.800 -0.009 0.000 2.352 928 Q HA -0.025 4.315 4.340 0.001 0.000 0.212 928 Q C 1.777 177.774 176.000 -0.004 0.000 0.888 928 Q CA 0.115 55.924 55.803 0.009 0.000 0.934 928 Q CB 0.195 28.959 28.738 0.043 0.000 1.093 928 Q HN 0.297 nan 8.270 nan 0.000 0.523 929 F N 2.263 122.097 119.950 -0.192 0.000 2.043 929 F HA -0.335 4.192 4.527 0.001 0.000 0.297 929 F C 2.414 178.160 175.800 -0.090 0.000 1.121 929 F CA 2.033 59.899 58.000 -0.224 0.000 1.199 929 F CB -0.592 38.305 39.000 -0.172 0.000 0.968 929 F HN 0.089 nan 8.300 nan 0.000 0.478 930 S N -0.237 115.460 115.700 -0.006 0.000 2.380 930 S HA -0.411 4.059 4.470 0.001 0.000 0.229 930 S C 2.094 176.600 174.600 -0.156 0.000 1.050 930 S CA 1.788 59.935 58.200 -0.087 0.000 1.100 930 S CB -1.362 61.847 63.200 0.015 0.000 0.984 930 S HN 0.721 nan 8.310 nan 0.000 0.434 931 E N 1.730 121.872 120.200 -0.098 0.000 2.110 931 E HA -0.275 4.076 4.350 0.001 0.000 0.193 931 E C 2.468 179.001 176.600 -0.111 0.000 0.988 931 E CA 1.466 57.817 56.400 -0.081 0.000 0.804 931 E CB -0.258 29.418 29.700 -0.040 0.000 0.745 931 E HN 0.957 nan 8.360 nan 0.000 0.458 932 Q N -0.270 119.439 119.800 -0.152 0.000 2.311 932 Q HA -0.024 4.316 4.340 0.001 0.000 0.203 932 Q C 2.069 177.947 176.000 -0.204 0.000 0.954 932 Q CA 0.819 56.541 55.803 -0.134 0.000 0.885 932 Q CB -0.006 28.694 28.738 -0.064 0.000 0.963 932 Q HN 0.099 nan 8.270 nan 0.000 0.471 933 V N 1.993 121.695 119.914 -0.352 0.000 2.490 933 V HA -0.219 3.901 4.120 0.001 0.000 0.250 933 V C 1.213 177.200 176.094 -0.178 0.000 1.061 933 V CA 2.155 64.252 62.300 -0.337 0.000 1.064 933 V CB -0.244 31.318 31.823 -0.434 0.000 0.670 933 V HN 0.472 nan 8.190 nan 0.000 0.461 934 E N -0.425 119.691 120.200 -0.141 0.000 2.451 934 E HA 0.089 4.440 4.350 0.001 0.000 0.194 934 E C 0.791 177.352 176.600 -0.065 0.000 1.027 934 E CA -0.162 56.185 56.400 -0.087 0.000 0.914 934 E CB 0.070 29.727 29.700 -0.072 0.000 1.054 934 E HN 0.533 nan 8.360 nan 0.000 0.461 935 N N 0.062 118.721 118.700 -0.068 0.000 2.220 935 N HA 0.161 4.901 4.740 0.001 0.000 0.195 935 N C 1.298 176.782 175.510 -0.042 0.000 1.123 935 N CA 0.369 53.392 53.050 -0.046 0.000 0.874 935 N CB 0.762 39.227 38.487 -0.037 0.000 0.995 935 N HN 0.229 nan 8.380 nan 0.000 0.498 936 I N 0.081 120.617 120.570 -0.056 0.000 3.039 936 I HA 0.019 4.190 4.170 0.001 0.000 0.270 936 I C 2.230 178.324 176.117 -0.040 0.000 1.150 936 I CA 0.332 61.602 61.300 -0.050 0.000 1.448 936 I CB 0.157 38.115 38.000 -0.070 0.000 1.197 936 I HN -0.085 nan 8.210 nan 0.000 0.450 937 K N 2.005 122.376 120.400 -0.049 0.000 1.984 937 K HA -0.099 4.222 4.320 0.001 0.000 0.209 937 K C -0.727 175.861 176.600 -0.019 0.000 1.046 937 K CA 1.648 57.914 56.287 -0.036 0.000 0.934 937 K CB -0.813 31.660 32.500 -0.045 0.000 0.717 937 K HN 0.076 nan 8.250 nan 0.000 0.438 938 P HA -0.135 nan 4.420 nan 0.000 0.219 938 P C 0.389 177.686 177.300 -0.006 0.000 1.146 938 P CA 1.270 64.363 63.100 -0.011 0.000 0.808 938 P CB 0.063 31.752 31.700 -0.019 0.000 0.779 939 E N -0.483 119.711 120.200 -0.010 0.000 2.046 939 E HA -0.079 4.271 4.350 0.001 0.000 0.190 939 E C 2.027 178.631 176.600 0.006 0.000 0.982 939 E CA 0.826 57.222 56.400 -0.006 0.000 0.800 939 E CB -0.470 29.226 29.700 -0.006 0.000 0.756 939 E HN 0.263 nan 8.360 nan 0.000 0.449 940 I N 1.011 121.590 120.570 0.015 0.000 2.454 940 I HA -0.225 3.945 4.170 0.001 0.000 0.254 940 I C 2.286 178.409 176.117 0.010 0.000 1.156 940 I CA 0.620 61.938 61.300 0.030 0.000 1.433 940 I CB -0.112 37.915 38.000 0.045 0.000 1.082 940 I HN -0.008 nan 8.210 nan 0.000 0.432 941 V N -0.076 119.842 119.914 0.007 0.000 2.323 941 V HA -0.220 3.900 4.120 0.001 0.000 0.244 941 V C 2.490 178.596 176.094 0.019 0.000 1.041 941 V CA 1.868 64.172 62.300 0.006 0.000 1.025 941 V CB -0.318 31.516 31.823 0.018 0.000 0.656 941 V HN 0.354 nan 8.190 nan 0.000 0.451 942 S N 0.139 115.873 115.700 0.055 0.000 2.351 942 S HA -0.207 4.264 4.470 0.001 0.000 0.220 942 S C 2.036 176.620 174.600 -0.027 0.000 1.035 942 S CA 1.791 60.054 58.200 0.105 0.000 1.031 942 S CB -0.371 62.839 63.200 0.017 0.000 0.928 942 S HN 0.361 nan 8.310 nan 0.000 0.433 943 V N 1.579 121.452 119.914 -0.068 0.000 2.287 943 V HA -0.220 3.900 4.120 0.001 0.000 0.248 943 V C 2.547 178.602 176.094 -0.065 0.000 1.053 943 V CA 2.215 64.448 62.300 -0.111 0.000 1.027 943 V CB -1.436 30.372 31.823 -0.026 0.000 0.646 943 V HN 0.510 nan 8.190 nan 0.000 0.447 944 T N 0.237 114.771 114.554 -0.033 0.000 2.652 944 T HA -0.204 4.146 4.350 0.001 0.000 0.267 944 T C 2.068 176.728 174.700 -0.067 0.000 1.039 944 T CA 1.870 63.956 62.100 -0.024 0.000 1.153 944 T CB -0.475 68.376 68.868 -0.029 0.000 0.863 944 T HN 0.596 nan 8.240 nan 0.000 0.428 945 A N 1.477 124.205 122.820 -0.154 0.000 1.858 945 A HA 0.092 4.412 4.320 0.001 0.000 0.216 945 A C 2.672 180.136 177.584 -0.199 0.000 1.190 945 A CA 2.090 53.944 52.037 -0.305 0.000 0.617 945 A CB -1.298 17.192 19.000 -0.850 0.000 0.827 945 A HN 0.519 nan 8.150 nan 0.000 0.443 946 A N -1.069 121.647 122.820 -0.173 0.000 1.917 946 A HA -0.244 4.076 4.320 0.001 0.000 0.219 946 A C 2.319 179.938 177.584 0.058 0.000 1.182 946 A CA 1.844 53.772 52.037 -0.181 0.000 0.633 946 A CB -1.438 17.141 19.000 -0.701 0.000 0.819 946 A HN 0.621 nan 8.150 nan 0.000 0.448 947 C N -0.843 118.545 119.300 0.147 0.000 2.411 947 C HA -0.099 4.362 4.460 0.001 0.000 0.279 947 C C 2.684 177.811 174.990 0.228 0.000 1.288 947 C CA 1.340 60.589 59.018 0.384 0.000 1.764 947 C CB -1.274 26.651 27.740 0.308 0.000 1.974 947 C HN 0.693 nan 8.230 nan 0.000 0.498 948 E N 0.220 120.479 120.200 0.098 0.000 2.076 948 E HA -0.143 4.207 4.350 0.001 0.000 0.190 948 E C 2.033 178.678 176.600 0.075 0.000 0.979 948 E CA 0.794 57.226 56.400 0.053 0.000 0.807 948 E CB -0.164 29.529 29.700 -0.012 0.000 0.761 948 E HN 0.629 nan 8.360 nan 0.000 0.454 949 E N 0.683 120.922 120.200 0.066 0.000 2.130 949 E HA -0.229 4.121 4.350 0.001 0.000 0.196 949 E C 1.965 178.656 176.600 0.152 0.000 0.998 949 E CA 0.824 57.278 56.400 0.089 0.000 0.806 949 E CB 0.001 29.746 29.700 0.075 0.000 0.738 949 E HN 0.086 nan 8.360 nan 0.000 0.459 950 L N 0.734 122.086 121.223 0.215 0.000 1.993 950 L HA -0.084 4.257 4.340 0.001 0.000 0.206 950 L C 2.321 179.410 176.870 0.364 0.000 1.074 950 L CA 1.623 56.620 54.840 0.263 0.000 0.746 950 L CB -0.364 41.924 42.059 0.382 0.000 0.896 950 L HN -0.135 nan 8.230 nan 0.000 0.435 951 R N 0.327 121.022 120.500 0.327 0.000 2.204 951 R HA -0.243 4.097 4.340 0.001 0.000 0.253 951 R C 2.026 178.398 176.300 0.121 0.000 1.172 951 R CA 2.125 58.328 56.100 0.173 0.000 0.994 951 R CB -0.412 29.876 30.300 -0.021 0.000 0.874 951 R HN 0.518 nan 8.270 nan 0.000 0.462 952 K N -0.934 119.554 120.400 0.148 0.000 2.374 952 K HA 0.139 4.459 4.320 0.001 0.000 0.202 952 K C -0.469 176.226 176.600 0.158 0.000 1.040 952 K CA 0.147 56.498 56.287 0.107 0.000 1.085 952 K CB 0.467 33.005 32.500 0.064 0.000 0.873 952 K HN 0.070 nan 8.250 nan 0.000 0.539 953 S N 1.866 117.706 115.700 0.233 0.000 2.400 953 S HA 0.055 4.525 4.470 0.001 0.000 0.295 953 S C 0.808 175.577 174.600 0.282 0.000 1.113 953 S CA -0.533 57.819 58.200 0.253 0.000 1.064 953 S CB 0.843 64.218 63.200 0.291 0.000 0.990 953 S HN 0.460 nan 8.310 nan 0.000 0.502 954 E N 4.205 124.526 120.200 0.202 0.000 2.216 954 E HA -0.112 4.238 4.350 0.001 0.000 0.192 954 E C 1.254 177.943 176.600 0.148 0.000 0.988 954 E CA 0.526 57.026 56.400 0.166 0.000 0.834 954 E CB -0.209 29.563 29.700 0.120 0.000 0.772 954 E HN 0.525 nan 8.360 nan 0.000 0.479 955 N N 0.316 119.122 118.700 0.178 0.000 2.223 955 N HA -0.122 4.618 4.740 0.001 0.000 0.185 955 N C 1.393 176.988 175.510 0.142 0.000 1.016 955 N CA 0.952 54.108 53.050 0.177 0.000 0.863 955 N CB -0.295 38.333 38.487 0.235 0.000 0.983 955 N HN 0.247 nan 8.380 nan 0.000 0.429 956 F N 1.696 121.652 119.950 0.010 0.000 2.098 956 F HA -0.042 4.486 4.527 0.001 0.000 0.294 956 F C 2.406 178.111 175.800 -0.158 0.000 1.107 956 F CA 1.005 58.857 58.000 -0.246 0.000 1.234 956 F CB -0.588 38.320 39.000 -0.153 0.000 1.002 956 F HN -0.114 nan 8.300 nan 0.000 0.472 957 S N 0.130 115.818 115.700 -0.019 0.000 2.381 957 S HA -0.278 4.192 4.470 0.001 0.000 0.230 957 S C 2.216 176.718 174.600 -0.165 0.000 1.052 957 S CA 1.694 59.851 58.200 -0.070 0.000 1.068 957 S CB -0.803 62.477 63.200 0.133 0.000 0.918 957 S HN 0.497 nan 8.310 nan 0.000 0.448 958 S N 1.331 116.972 115.700 -0.099 0.000 2.359 958 S HA -0.144 4.326 4.470 0.001 0.000 0.222 958 S C 1.827 176.323 174.600 -0.173 0.000 1.038 958 S CA 1.491 59.627 58.200 -0.106 0.000 1.051 958 S CB -0.666 62.503 63.200 -0.053 0.000 0.944 958 S HN 0.414 nan 8.310 nan 0.000 0.433 959 L N 1.688 122.769 121.223 -0.236 0.000 2.129 959 L HA -0.097 4.244 4.340 0.001 0.000 0.212 959 L C 1.907 178.636 176.870 -0.234 0.000 1.087 959 L CA 1.581 56.279 54.840 -0.237 0.000 0.757 959 L CB -0.521 41.302 42.059 -0.393 0.000 0.896 959 L HN 0.315 nan 8.230 nan 0.000 0.434 960 L N -1.110 119.885 121.223 -0.380 0.000 2.072 960 L HA -0.169 4.171 4.340 0.001 0.000 0.205 960 L C 2.528 179.348 176.870 -0.084 0.000 1.079 960 L CA 1.400 56.081 54.840 -0.265 0.000 0.752 960 L CB -0.551 41.226 42.059 -0.469 0.000 0.906 960 L HN 0.324 nan 8.230 nan 0.000 0.436 961 E N 0.025 120.156 120.200 -0.114 0.000 2.077 961 E HA -0.267 4.084 4.350 0.001 0.000 0.193 961 E C 2.086 178.672 176.600 -0.023 0.000 0.989 961 E CA 1.103 57.468 56.400 -0.059 0.000 0.800 961 E CB -0.108 29.551 29.700 -0.068 0.000 0.746 961 E HN 0.221 nan 8.360 nan 0.000 0.452 962 L N 0.786 121.980 121.223 -0.047 0.000 2.141 962 L HA -0.125 4.215 4.340 0.001 0.000 0.209 962 L C 2.112 179.010 176.870 0.046 0.000 1.094 962 L CA 1.722 56.549 54.840 -0.022 0.000 0.763 962 L CB -0.405 41.617 42.059 -0.061 0.000 0.908 962 L HN 0.020 nan 8.230 nan 0.000 0.437 963 T N -0.481 114.118 114.554 0.074 0.000 2.770 963 T HA -0.124 4.227 4.350 0.001 0.000 0.263 963 T C 1.763 176.526 174.700 0.104 0.000 1.039 963 T CA 1.335 63.492 62.100 0.095 0.000 1.142 963 T CB -0.352 68.585 68.868 0.116 0.000 0.868 963 T HN 0.260 nan 8.240 nan 0.000 0.435 964 L N 1.550 122.910 121.223 0.230 0.000 2.013 964 L HA -0.061 4.279 4.340 0.001 0.000 0.212 964 L C 2.148 179.061 176.870 0.071 0.000 1.073 964 L CA 1.601 56.558 54.840 0.195 0.000 0.753 964 L CB -1.180 40.963 42.059 0.139 0.000 0.890 964 L HN 0.185 nan 8.230 nan 0.000 0.432 965 L N -1.008 120.246 121.223 0.052 0.000 1.943 965 L HA -0.195 4.145 4.340 0.001 0.000 0.215 965 L C 2.489 179.395 176.870 0.061 0.000 1.074 965 L CA 2.263 57.128 54.840 0.041 0.000 0.759 965 L CB -1.171 40.907 42.059 0.033 0.000 0.888 965 L HN 0.126 nan 8.230 nan 0.000 0.433 966 V N 0.601 120.558 119.914 0.070 0.000 2.250 966 V HA -0.351 3.769 4.120 0.001 0.000 0.250 966 V C 2.650 178.780 176.094 0.060 0.000 1.060 966 V CA 2.152 64.502 62.300 0.083 0.000 1.030 966 V CB -1.923 29.967 31.823 0.112 0.000 0.643 966 V HN 0.716 nan 8.190 nan 0.000 0.445 967 G N -0.001 108.805 108.800 0.010 0.000 2.529 967 G HA2 -0.360 3.600 3.960 0.001 0.000 0.219 967 G HA3 -0.360 3.600 3.960 0.001 0.000 0.219 967 G C 1.455 176.340 174.900 -0.025 0.000 1.177 967 G CA 1.300 46.372 45.100 -0.048 0.000 0.773 967 G HN 0.523 nan 8.290 nan 0.000 0.573 968 N N -0.383 118.315 118.700 -0.003 0.000 2.069 968 N HA -0.129 4.612 4.740 0.001 0.000 0.191 968 N C 1.862 177.378 175.510 0.011 0.000 1.031 968 N CA 1.273 54.313 53.050 -0.017 0.000 0.852 968 N CB -0.574 37.895 38.487 -0.029 0.000 1.018 968 N HN 0.477 nan 8.380 nan 0.000 0.423 969 Y N 1.435 121.705 120.300 -0.050 0.000 2.128 969 Y HA -0.153 4.398 4.550 0.001 0.000 0.284 969 Y C 2.496 178.365 175.900 -0.053 0.000 1.154 969 Y CA 1.715 59.789 58.100 -0.044 0.000 1.149 969 Y CB -0.238 38.205 38.460 -0.028 0.000 0.976 969 Y HN 0.013 nan 8.280 nan 0.000 0.505 970 M N -0.079 119.580 119.600 0.100 0.000 2.080 970 M HA -0.293 4.188 4.480 0.001 0.000 0.260 970 M C 1.361 177.614 176.300 -0.077 0.000 1.068 970 M CA 1.766 57.070 55.300 0.006 0.000 1.109 970 M CB -0.457 32.143 32.600 -0.000 0.000 1.342 970 M HN 0.274 nan 8.290 nan 0.000 0.405 971 N N 0.855 119.508 118.700 -0.079 0.000 2.515 971 N HA 0.120 4.861 4.740 0.001 0.000 0.191 971 N C -0.130 175.312 175.510 -0.115 0.000 1.182 971 N CA 0.065 53.060 53.050 -0.091 0.000 0.879 971 N CB -0.023 38.412 38.487 -0.087 0.000 0.984 971 N HN 0.183 nan 8.380 nan 0.000 0.453 972 A N 0.197 122.915 122.820 -0.169 0.000 2.537 972 A HA 0.359 4.680 4.320 0.001 0.000 0.260 972 A C 1.436 178.931 177.584 -0.150 0.000 1.082 972 A CA 0.802 52.723 52.037 -0.193 0.000 0.765 972 A CB -0.415 18.382 19.000 -0.338 0.000 1.019 972 A HN 0.430 nan 8.150 nan 0.000 0.507 973 G N 2.244 110.979 108.800 -0.109 0.000 2.176 973 G HA2 -0.212 3.748 3.960 0.001 0.000 0.253 973 G HA3 -0.212 3.748 3.960 0.001 0.000 0.253 973 G C 0.522 175.383 174.900 -0.065 0.000 0.979 973 G CA 0.426 45.477 45.100 -0.082 0.000 0.641 973 G HN 1.182 nan 8.290 nan 0.000 0.530 974 S N -0.585 115.074 115.700 -0.067 0.000 2.713 974 S HA 0.521 4.992 4.470 0.001 0.000 0.277 974 S C 1.569 176.144 174.600 -0.043 0.000 1.168 974 S CA 0.004 58.173 58.200 -0.052 0.000 0.994 974 S CB 1.116 64.283 63.200 -0.055 0.000 1.054 974 S HN 0.672 nan 8.310 nan 0.000 0.555 975 R N 0.928 121.408 120.500 -0.033 0.000 2.241 975 R HA 0.002 4.343 4.340 0.001 0.000 0.224 975 R C 0.549 176.832 176.300 -0.028 0.000 1.101 975 R CA 1.299 57.385 56.100 -0.024 0.000 0.995 975 R CB -0.437 29.853 30.300 -0.016 0.000 0.870 975 R HN 0.338 nan 8.270 nan 0.000 0.463 976 N N 0.999 119.673 118.700 -0.043 0.000 2.412 976 N HA 0.108 4.849 4.740 0.001 0.000 0.184 976 N C 0.244 175.717 175.510 -0.062 0.000 1.101 976 N CA 0.636 53.655 53.050 -0.053 0.000 0.881 976 N CB 0.448 38.891 38.487 -0.074 0.000 0.969 976 N HN 0.329 nan 8.380 nan 0.000 0.459 977 A N 0.298 123.079 122.820 -0.064 0.000 2.492 977 A HA 0.406 4.726 4.320 0.001 0.000 0.236 977 A C 1.147 178.677 177.584 -0.091 0.000 1.078 977 A CA 0.488 52.477 52.037 -0.080 0.000 0.773 977 A CB -0.478 18.474 19.000 -0.080 0.000 1.023 977 A HN 0.319 nan 8.150 nan 0.000 0.504 978 G N -0.399 108.325 108.800 -0.127 0.000 2.247 978 G HA2 0.238 4.198 3.960 0.001 0.000 0.265 978 G HA3 0.238 4.198 3.960 0.001 0.000 0.265 978 G C 0.303 175.043 174.900 -0.267 0.000 0.861 978 G CA 0.640 45.611 45.100 -0.215 0.000 1.289 978 G HN 2.051 nan 8.290 nan 0.000 0.403 979 A N 0.943 123.627 122.820 -0.226 0.000 2.301 979 A HA 0.825 5.146 4.320 0.001 0.000 0.312 979 A C 0.591 178.034 177.584 -0.236 0.000 1.182 979 A CA -0.636 51.318 52.037 -0.139 0.000 0.826 979 A CB 0.744 19.722 19.000 -0.037 0.000 1.134 979 A HN 0.587 nan 8.150 nan 0.000 0.501 980 F N 1.481 121.425 119.950 -0.011 0.000 2.797 980 F HA 0.394 4.921 4.527 0.001 0.000 0.302 980 F C 1.477 177.250 175.800 -0.045 0.000 1.130 980 F CA 1.112 59.097 58.000 -0.025 0.000 1.387 980 F CB 0.331 39.312 39.000 -0.031 0.000 1.107 980 F HN 0.816 nan 8.300 nan 0.000 0.577 981 G N -0.343 108.506 108.800 0.082 0.000 2.340 981 G HA2 0.385 4.345 3.960 0.001 0.000 0.298 981 G HA3 0.385 4.345 3.960 0.001 0.000 0.298 981 G C -1.738 173.173 174.900 0.018 0.000 1.498 981 G CA -1.036 44.046 45.100 -0.029 0.000 0.847 981 G HN -0.013 nan 8.290 nan 0.000 0.594 982 F N -0.593 119.324 119.950 -0.055 0.000 2.598 982 F HA 0.782 5.309 4.527 0.001 0.000 0.327 982 F C -0.225 175.557 175.800 -0.030 0.000 1.057 982 F CA -1.809 56.137 58.000 -0.089 0.000 0.957 982 F CB 1.566 40.450 39.000 -0.193 0.000 1.278 982 F HN 0.416 nan 8.300 nan 0.000 0.484 983 N N 2.386 121.217 118.700 0.219 0.000 2.430 983 N HA 0.083 4.823 4.740 0.001 0.000 0.265 983 N C 1.011 176.667 175.510 0.245 0.000 1.100 983 N CA -0.047 53.104 53.050 0.169 0.000 0.961 983 N CB 1.115 39.704 38.487 0.170 0.000 1.075 983 N HN 1.003 nan 8.380 nan 0.000 0.478 984 I N 3.222 123.841 120.570 0.081 0.000 2.530 984 I HA -0.287 3.883 4.170 0.001 0.000 0.257 984 I C 1.779 177.897 176.117 0.001 0.000 1.179 984 I CA 1.268 62.578 61.300 0.017 0.000 1.440 984 I CB -0.047 37.887 38.000 -0.111 0.000 1.087 984 I HN 0.594 nan 8.210 nan 0.000 0.440 985 S N 0.489 116.199 115.700 0.017 0.000 2.440 985 S HA -0.278 4.193 4.470 0.001 0.000 0.238 985 S C 1.900 176.513 174.600 0.020 0.000 1.010 985 S CA 1.136 59.322 58.200 -0.023 0.000 0.972 985 S CB -1.086 62.128 63.200 0.023 0.000 0.774 985 S HN 0.669 nan 8.310 nan 0.000 0.501 986 F N 2.029 121.973 119.950 -0.009 0.000 2.558 986 F HA 0.269 4.796 4.527 0.001 0.000 0.298 986 F C 1.659 177.388 175.800 -0.117 0.000 1.119 986 F CA 0.224 58.205 58.000 -0.033 0.000 1.451 986 F CB -0.237 38.763 39.000 0.001 0.000 1.091 986 F HN 0.128 nan 8.300 nan 0.000 0.563 987 L N -0.695 120.461 121.223 -0.112 0.000 2.051 987 L HA -0.353 3.987 4.340 0.001 0.000 0.214 987 L C 2.463 179.196 176.870 -0.229 0.000 1.076 987 L CA 1.376 55.972 54.840 -0.407 0.000 0.758 987 L CB -1.372 40.035 42.059 -1.085 0.000 0.890 987 L HN 0.200 nan 8.230 nan 0.000 0.433 988 C N -0.153 119.067 119.300 -0.133 0.000 2.443 988 C HA -0.115 4.345 4.460 0.001 0.000 0.290 988 C C 2.442 177.367 174.990 -0.109 0.000 1.476 988 C CA 0.825 59.855 59.018 0.021 0.000 1.772 988 C CB -1.178 26.555 27.740 -0.011 0.000 1.714 988 C HN 0.423 nan 8.230 nan 0.000 0.562 989 K N -0.263 119.918 120.400 -0.365 0.000 2.354 989 K HA 0.206 4.526 4.320 0.001 0.000 0.194 989 K C 1.585 177.978 176.600 -0.345 0.000 1.038 989 K CA 0.094 56.080 56.287 -0.501 0.000 1.052 989 K CB 0.025 31.933 32.500 -0.988 0.000 0.861 989 K HN 0.391 nan 8.250 nan 0.000 0.535 990 L N 1.369 122.477 121.223 -0.192 0.000 2.081 990 L HA -0.200 4.140 4.340 0.001 0.000 0.212 990 L C 2.589 179.494 176.870 0.058 0.000 1.080 990 L CA 1.380 56.242 54.840 0.036 0.000 0.754 990 L CB -0.388 41.753 42.059 0.137 0.000 0.893 990 L HN 0.218 nan 8.230 nan 0.000 0.433 991 R N -0.007 120.524 120.500 0.053 0.000 2.285 991 R HA -0.154 4.186 4.340 0.001 0.000 0.213 991 R C 1.069 177.397 176.300 0.046 0.000 1.068 991 R CA 1.282 57.424 56.100 0.070 0.000 1.004 991 R CB -0.100 30.235 30.300 0.059 0.000 0.873 991 R HN 0.284 nan 8.270 nan 0.000 0.467 992 D N 0.054 120.453 120.400 -0.002 0.000 2.355 992 D HA 0.001 4.642 4.640 0.001 0.000 0.218 992 D C -0.277 176.032 176.300 0.015 0.000 1.004 992 D CA 0.796 54.791 54.000 -0.008 0.000 0.880 992 D CB 0.444 41.212 40.800 -0.053 0.000 0.911 992 D HN 0.035 nan 8.370 nan 0.000 0.528 993 T N 2.417 116.992 114.554 0.034 0.000 2.762 993 T HA 0.189 4.540 4.350 0.001 0.000 0.303 993 T C 0.268 174.988 174.700 0.035 0.000 0.977 993 T CA -0.611 61.512 62.100 0.039 0.000 0.961 993 T CB 0.853 69.753 68.868 0.053 0.000 0.944 993 T HN -0.208 nan 8.240 nan 0.000 0.481 994 K N 1.986 122.399 120.400 0.020 0.000 2.106 994 K HA 0.545 4.865 4.320 0.001 0.000 0.246 994 K C 0.872 177.471 176.600 -0.002 0.000 0.987 994 K CA -0.641 55.654 56.287 0.014 0.000 0.904 994 K CB 1.280 33.784 32.500 0.007 0.000 1.071 994 K HN 0.642 nan 8.250 nan 0.000 0.453 995 S N -0.213 115.483 115.700 -0.008 0.000 2.640 995 S HA 0.332 4.802 4.470 0.001 0.000 0.262 995 S C 1.405 175.994 174.600 -0.017 0.000 1.232 995 S CA -0.080 58.108 58.200 -0.020 0.000 0.988 995 S CB 0.551 63.739 63.200 -0.020 0.000 1.034 995 S HN 0.597 nan 8.310 nan 0.000 0.569 996 A N 1.650 124.459 122.820 -0.019 0.000 1.912 996 A HA -0.147 4.173 4.320 0.001 0.000 0.217 996 A C 1.000 178.577 177.584 -0.012 0.000 1.309 996 A CA 1.881 53.910 52.037 -0.014 0.000 0.726 996 A CB -1.940 17.053 19.000 -0.013 0.000 0.840 996 A HN 1.016 nan 8.150 nan 0.000 0.473 997 D N 0.450 120.843 120.400 -0.012 0.000 2.371 997 D HA 0.070 4.710 4.640 0.001 0.000 0.256 997 D C -0.325 175.965 176.300 -0.016 0.000 1.193 997 D CA -0.200 53.792 54.000 -0.013 0.000 0.881 997 D CB 0.460 41.253 40.800 -0.012 0.000 1.143 997 D HN 0.522 nan 8.370 nan 0.000 0.473 998 Q N 1.690 121.479 119.800 -0.017 0.000 2.294 998 Q HA -0.085 4.255 4.340 0.001 0.000 0.207 998 Q C 1.275 177.254 176.000 -0.034 0.000 0.887 998 Q CA 0.154 55.946 55.803 -0.020 0.000 0.987 998 Q CB -0.049 28.681 28.738 -0.014 0.000 1.101 998 Q HN 0.594 nan 8.270 nan 0.000 0.447 999 K N 0.298 120.675 120.400 -0.038 0.000 2.361 999 K HA 0.018 4.338 4.320 0.001 0.000 0.196 999 K C 0.235 176.782 176.600 -0.088 0.000 1.039 999 K CA 0.285 56.538 56.287 -0.058 0.000 1.001 999 K CB 0.382 32.858 32.500 -0.041 0.000 0.795 999 K HN 0.154 nan 8.250 nan 0.000 0.495 1000 M N 1.270 120.836 119.600 -0.057 0.000 2.446 1000 M HA 0.189 4.669 4.480 0.001 0.000 0.294 1000 M C -1.010 175.299 176.300 0.015 0.000 1.158 1000 M CA -0.315 54.962 55.300 -0.039 0.000 0.899 1000 M CB 2.334 34.949 32.600 0.024 0.000 1.687 1000 M HN 0.101 nan 8.290 nan 0.000 0.455 1001 T N 1.604 116.216 114.554 0.096 0.000 2.932 1001 T HA 0.436 4.786 4.350 0.001 0.000 0.289 1001 T C 0.554 175.376 174.700 0.203 0.000 1.039 1001 T CA -0.869 61.331 62.100 0.166 0.000 1.024 1001 T CB 1.108 70.138 68.868 0.270 0.000 1.090 1001 T HN 0.807 nan 8.240 nan 0.000 0.496 1002 L N 1.879 123.187 121.223 0.140 0.000 2.127 1002 L HA 0.078 4.418 4.340 0.001 0.000 0.211 1002 L C 1.988 178.990 176.870 0.221 0.000 1.089 1002 L CA 1.783 56.713 54.840 0.149 0.000 0.757 1002 L CB -1.270 40.841 42.059 0.087 0.000 0.899 1002 L HN 0.808 nan 8.230 nan 0.000 0.434 1003 L N -1.194 120.136 121.223 0.179 0.000 2.072 1003 L HA -0.136 4.205 4.340 0.001 0.000 0.205 1003 L C 2.324 179.186 176.870 -0.015 0.000 1.079 1003 L CA 1.699 56.605 54.840 0.110 0.000 0.752 1003 L CB -0.787 41.299 42.059 0.044 0.000 0.906 1003 L HN 0.377 nan 8.230 nan 0.000 0.436 1004 H N -1.729 117.364 119.070 0.038 0.000 2.421 1004 H HA -0.152 4.404 4.556 0.001 0.000 0.298 1004 H C 1.758 177.106 175.328 0.032 0.000 1.087 1004 H CA 2.240 58.279 56.048 -0.015 0.000 1.330 1004 H CB -0.413 29.348 29.762 -0.002 0.000 1.388 1004 H HN 0.438 nan 8.280 nan 0.000 0.526 1005 F N 0.692 120.704 119.950 0.104 0.000 2.113 1005 F HA -0.127 4.401 4.527 0.001 0.000 0.297 1005 F C 1.933 177.770 175.800 0.062 0.000 1.103 1005 F CA 1.032 59.074 58.000 0.069 0.000 1.248 1005 F CB -0.314 38.724 39.000 0.063 0.000 0.999 1005 F HN 0.020 nan 8.300 nan 0.000 0.475 1006 L N -0.001 121.371 121.223 0.247 0.000 2.079 1006 L HA -0.257 4.084 4.340 0.001 0.000 0.210 1006 L C 2.693 179.610 176.870 0.078 0.000 1.081 1006 L CA 1.312 56.258 54.840 0.176 0.000 0.752 1006 L CB -1.050 41.168 42.059 0.264 0.000 0.896 1006 L HN 0.273 nan 8.230 nan 0.000 0.433 1007 A N -0.735 122.066 122.820 -0.032 0.000 2.014 1007 A HA -0.194 4.127 4.320 0.001 0.000 0.218 1007 A C 2.206 179.716 177.584 -0.125 0.000 1.163 1007 A CA 1.405 53.326 52.037 -0.194 0.000 0.652 1007 A CB -0.298 18.327 19.000 -0.625 0.000 0.808 1007 A HN 0.435 nan 8.150 nan 0.000 0.449 1008 E N -0.007 120.107 120.200 -0.142 0.000 2.046 1008 E HA -0.100 4.251 4.350 0.001 0.000 0.190 1008 E C 1.879 178.386 176.600 -0.156 0.000 0.982 1008 E CA 0.785 57.093 56.400 -0.154 0.000 0.800 1008 E CB -0.233 29.349 29.700 -0.196 0.000 0.756 1008 E HN 0.551 nan 8.360 nan 0.000 0.449 1009 L N 0.344 121.426 121.223 -0.234 0.000 2.021 1009 L HA -0.352 3.988 4.340 0.001 0.000 0.215 1009 L C 2.586 179.490 176.870 0.056 0.000 1.074 1009 L CA 1.625 56.391 54.840 -0.123 0.000 0.760 1009 L CB -0.454 41.556 42.059 -0.082 0.000 0.889 1009 L HN 0.476 nan 8.230 nan 0.000 0.433 1010 C N -0.839 118.531 119.300 0.117 0.000 2.432 1010 C HA -0.182 4.278 4.460 0.001 0.000 0.277 1010 C C 2.663 177.726 174.990 0.122 0.000 1.249 1010 C CA 0.886 60.030 59.018 0.210 0.000 1.725 1010 C CB -0.739 27.179 27.740 0.296 0.000 2.028 1010 C HN 0.543 nan 8.230 nan 0.000 0.477 1011 E N 1.097 121.332 120.200 0.057 0.000 2.070 1011 E HA -0.217 4.133 4.350 0.001 0.000 0.197 1011 E C 1.753 178.348 176.600 -0.009 0.000 1.004 1011 E CA 1.581 57.994 56.400 0.021 0.000 0.805 1011 E CB -0.031 29.659 29.700 -0.017 0.000 0.744 1011 E HN 0.583 nan 8.360 nan 0.000 0.451 1012 N N 0.200 118.876 118.700 -0.040 0.000 2.290 1012 N HA -0.069 4.672 4.740 0.001 0.000 0.179 1012 N C 0.563 176.007 175.510 -0.109 0.000 1.016 1012 N CA 1.153 54.162 53.050 -0.068 0.000 0.871 1012 N CB 0.195 38.633 38.487 -0.082 0.000 0.987 1012 N HN 0.191 nan 8.380 nan 0.000 0.431 1013 D N -1.262 119.038 120.400 -0.166 0.000 2.500 1013 D HA 0.103 4.743 4.640 0.001 0.000 0.217 1013 D C -0.162 175.678 176.300 -0.767 0.000 1.159 1013 D CA 0.178 53.925 54.000 -0.421 0.000 0.828 1013 D CB 0.551 41.071 40.800 -0.466 0.000 1.039 1013 D HN 0.316 nan 8.370 nan 0.000 0.512 1014 H N -0.642 118.443 119.070 0.027 0.000 3.080 1014 H HA 0.161 4.718 4.556 0.001 0.000 0.211 1014 H C -2.030 173.339 175.328 0.068 0.000 1.359 1014 H CA -0.922 55.155 56.048 0.047 0.000 1.322 1014 H CB 1.258 31.053 29.762 0.054 0.000 2.164 1014 H HN -0.105 nan 8.280 nan 0.000 0.526 1015 P HA -0.275 nan 4.420 nan 0.000 0.217 1015 P C 1.851 179.233 177.300 0.137 0.000 1.158 1015 P CA 1.847 65.013 63.100 0.110 0.000 0.887 1015 P CB 0.390 32.129 31.700 0.064 0.000 0.792 1016 E N -0.252 120.028 120.200 0.132 0.000 2.086 1016 E HA -0.203 4.148 4.350 0.001 0.000 0.205 1016 E C 2.035 178.735 176.600 0.166 0.000 1.027 1016 E CA 1.496 57.974 56.400 0.131 0.000 0.830 1016 E CB -1.942 27.830 29.700 0.121 0.000 0.751 1016 E HN 0.108 nan 8.360 nan 0.000 0.456 1017 V N 1.985 122.014 119.914 0.192 0.000 2.363 1017 V HA -0.266 3.855 4.120 0.001 0.000 0.254 1017 V C 2.570 178.848 176.094 0.307 0.000 1.074 1017 V CA 1.996 64.437 62.300 0.234 0.000 1.069 1017 V CB -0.722 31.229 31.823 0.212 0.000 0.659 1017 V HN 0.219 nan 8.190 nan 0.000 0.455 1018 L N -0.720 120.659 121.223 0.260 0.000 2.633 1018 L HA -0.075 4.266 4.340 0.001 0.000 0.235 1018 L C 2.069 178.990 176.870 0.085 0.000 1.163 1018 L CA 1.044 56.027 54.840 0.239 0.000 0.859 1018 L CB -0.487 41.692 42.059 0.200 0.000 0.973 1018 L HN 0.335 nan 8.230 nan 0.000 0.451 1019 K N -0.442 120.014 120.400 0.094 0.000 2.353 1019 K HA 0.034 4.354 4.320 0.001 0.000 0.195 1019 K C 1.789 178.405 176.600 0.026 0.000 1.031 1019 K CA 0.166 56.477 56.287 0.040 0.000 1.079 1019 K CB 0.222 32.765 32.500 0.073 0.000 0.857 1019 K HN 0.237 nan 8.250 nan 0.000 0.535 1020 F N 1.993 121.963 119.950 0.033 0.000 2.161 1020 F HA -0.022 4.505 4.527 0.001 0.000 0.300 1020 F C -1.260 174.554 175.800 0.023 0.000 1.089 1020 F CA 0.306 58.335 58.000 0.048 0.000 1.282 1020 F CB -1.760 37.294 39.000 0.090 0.000 1.010 1020 F HN -0.097 nan 8.300 nan 0.000 0.485 1021 P HA -0.160 nan 4.420 nan 0.000 0.217 1021 P C 0.965 178.150 177.300 -0.190 0.000 1.148 1021 P CA 2.059 64.800 63.100 -0.598 0.000 0.828 1021 P CB -0.127 31.226 31.700 -0.578 0.000 0.783 1022 D N -0.550 119.779 120.400 -0.117 0.000 2.234 1022 D HA -0.087 4.553 4.640 0.001 0.000 0.205 1022 D C 1.481 177.795 176.300 0.024 0.000 0.962 1022 D CA 0.814 54.795 54.000 -0.030 0.000 0.855 1022 D CB -0.202 40.589 40.800 -0.015 0.000 0.951 1022 D HN 0.372 nan 8.370 nan 0.000 0.500 1023 E N 0.307 120.541 120.200 0.057 0.000 2.478 1023 E HA 0.012 4.363 4.350 0.001 0.000 0.198 1023 E C 0.695 177.359 176.600 0.107 0.000 1.046 1023 E CA 0.235 56.694 56.400 0.099 0.000 0.870 1023 E CB 0.246 30.033 29.700 0.146 0.000 0.818 1023 E HN 0.237 nan 8.360 nan 0.000 0.527 1024 L N 0.472 121.751 121.223 0.092 0.000 2.935 1024 L HA 0.334 4.674 4.340 0.001 0.000 0.243 1024 L C 1.150 178.072 176.870 0.086 0.000 1.313 1024 L CA -0.410 54.491 54.840 0.102 0.000 0.969 1024 L CB 0.593 42.722 42.059 0.118 0.000 1.320 1024 L HN 0.061 nan 8.230 nan 0.000 0.511 1025 A N -1.073 121.810 122.820 0.104 0.000 1.929 1025 A HA -0.155 4.165 4.320 0.001 0.000 0.216 1025 A C 1.701 179.298 177.584 0.021 0.000 1.176 1025 A CA 1.251 53.332 52.037 0.073 0.000 0.628 1025 A CB -0.363 18.695 19.000 0.097 0.000 0.816 1025 A HN 0.580 nan 8.150 nan 0.000 0.444 1026 H N -1.269 117.768 119.070 -0.055 0.000 2.547 1026 H HA 0.168 4.724 4.556 0.001 0.000 0.266 1026 H C 1.759 176.980 175.328 -0.178 0.000 0.988 1026 H CA 0.640 56.621 56.048 -0.110 0.000 1.147 1026 H CB -0.005 29.682 29.762 -0.126 0.000 1.365 1026 H HN 0.234 nan 8.280 nan 0.000 0.589 1027 V N 0.371 120.272 119.914 -0.023 0.000 2.407 1027 V HA -0.249 3.872 4.120 0.001 0.000 0.248 1027 V C 2.378 178.433 176.094 -0.065 0.000 1.055 1027 V CA 2.102 64.367 62.300 -0.058 0.000 1.049 1027 V CB -0.187 31.726 31.823 0.151 0.000 0.662 1027 V HN 0.530 nan 8.190 nan 0.000 0.455 1028 E N 0.037 120.195 120.200 -0.070 0.000 2.110 1028 E HA -0.251 4.100 4.350 0.001 0.000 0.193 1028 E C 2.263 178.715 176.600 -0.247 0.000 0.988 1028 E CA 1.300 57.538 56.400 -0.270 0.000 0.804 1028 E CB -0.011 29.547 29.700 -0.237 0.000 0.745 1028 E HN 0.558 nan 8.360 nan 0.000 0.458 1029 K N -0.068 120.219 120.400 -0.189 0.000 2.097 1029 K HA -0.068 4.253 4.320 0.001 0.000 0.205 1029 K C 2.094 178.610 176.600 -0.140 0.000 1.050 1029 K CA 0.952 57.142 56.287 -0.162 0.000 0.938 1029 K CB -0.079 32.321 32.500 -0.168 0.000 0.718 1029 K HN 0.114 nan 8.250 nan 0.000 0.442 1030 A N 1.250 123.959 122.820 -0.185 0.000 1.972 1030 A HA -0.168 4.153 4.320 0.001 0.000 0.219 1030 A C 2.073 179.625 177.584 -0.053 0.000 1.169 1030 A CA 2.037 53.950 52.037 -0.206 0.000 0.635 1030 A CB -0.595 18.029 19.000 -0.628 0.000 0.810 1030 A HN 0.398 nan 8.150 nan 0.000 0.446 1031 S N -1.042 114.634 115.700 -0.040 0.000 2.481 1031 S HA -0.018 4.453 4.470 0.001 0.000 0.231 1031 S C 1.640 176.232 174.600 -0.012 0.000 0.996 1031 S CA 0.858 59.077 58.200 0.032 0.000 0.942 1031 S CB -0.245 62.930 63.200 -0.041 0.000 0.768 1031 S HN 0.579 nan 8.310 nan 0.000 0.520 1032 R N 0.968 121.436 120.500 -0.054 0.000 2.393 1032 R HA 0.275 4.615 4.340 0.001 0.000 0.244 1032 R C 0.692 176.979 176.300 -0.023 0.000 0.920 1032 R CA 0.227 56.300 56.100 -0.045 0.000 1.076 1032 R CB 0.684 30.940 30.300 -0.073 0.000 1.119 1032 R HN 0.543 nan 8.270 nan 0.000 0.524 1033 V N -2.616 117.291 119.914 -0.011 0.000 3.610 1033 V HA 0.419 4.539 4.120 0.001 0.000 0.285 1033 V C 0.133 176.235 176.094 0.013 0.000 1.012 1033 V CA -0.629 61.670 62.300 -0.001 0.000 0.975 1033 V CB 1.679 33.502 31.823 0.001 0.000 1.247 1033 V HN -0.077 nan 8.190 nan 0.000 0.424 1034 S N -0.712 114.998 115.700 0.017 0.000 2.746 1034 S HA 0.664 5.135 4.470 0.001 0.000 0.273 1034 S C 0.696 175.316 174.600 0.035 0.000 1.172 1034 S CA 0.002 58.216 58.200 0.024 0.000 1.116 1034 S CB 0.747 63.960 63.200 0.020 0.000 1.057 1034 S HN 1.502 nan 8.310 nan 0.000 0.483 1035 A N 3.549 126.391 122.820 0.038 0.000 1.869 1035 A HA -0.176 4.144 4.320 0.001 0.000 0.218 1035 A C 1.885 179.510 177.584 0.069 0.000 1.203 1035 A CA 2.261 54.333 52.037 0.060 0.000 0.638 1035 A CB -1.028 17.995 19.000 0.039 0.000 0.831 1035 A HN 0.909 nan 8.150 nan 0.000 0.450 1036 E N -0.373 119.859 120.200 0.053 0.000 2.086 1036 E HA -0.287 4.063 4.350 0.001 0.000 0.200 1036 E C 1.687 178.308 176.600 0.036 0.000 1.012 1036 E CA 1.737 58.165 56.400 0.048 0.000 0.812 1036 E CB -0.204 29.521 29.700 0.041 0.000 0.743 1036 E HN 0.595 nan 8.360 nan 0.000 0.453 1037 N N 0.201 118.918 118.700 0.028 0.000 2.309 1037 N HA -0.086 4.654 4.740 0.001 0.000 0.182 1037 N C 1.841 177.353 175.510 0.003 0.000 1.018 1037 N CA 0.650 53.710 53.050 0.017 0.000 0.876 1037 N CB -0.118 38.378 38.487 0.015 0.000 0.972 1037 N HN 0.265 nan 8.380 nan 0.000 0.434 1038 L N 0.316 121.542 121.223 0.004 0.000 2.044 1038 L HA -0.142 4.198 4.340 0.001 0.000 0.205 1038 L C 2.466 179.265 176.870 -0.119 0.000 1.075 1038 L CA 0.969 55.783 54.840 -0.043 0.000 0.747 1038 L CB -0.380 41.682 42.059 0.004 0.000 0.903 1038 L HN 0.118 nan 8.230 nan 0.000 0.435 1039 Q N 0.887 120.653 119.800 -0.057 0.000 2.014 1039 Q HA -0.245 4.095 4.340 0.001 0.000 0.207 1039 Q C 2.106 178.087 176.000 -0.032 0.000 0.993 1039 Q CA 1.979 57.749 55.803 -0.055 0.000 0.850 1039 Q CB -0.043 28.730 28.738 0.058 0.000 0.916 1039 Q HN 0.249 nan 8.270 nan 0.000 0.417 1040 K N -0.399 120.002 120.400 0.001 0.000 1.991 1040 K HA -0.166 4.154 4.320 0.001 0.000 0.212 1040 K C 2.321 178.930 176.600 0.015 0.000 1.049 1040 K CA 1.554 57.850 56.287 0.015 0.000 0.932 1040 K CB -0.559 31.953 32.500 0.020 0.000 0.717 1040 K HN 0.312 nan 8.250 nan 0.000 0.441 1041 S N 1.093 116.795 115.700 0.004 0.000 2.400 1041 S HA -0.134 4.337 4.470 0.001 0.000 0.232 1041 S C 1.968 176.587 174.600 0.032 0.000 1.025 1041 S CA 1.008 59.218 58.200 0.016 0.000 0.993 1041 S CB -0.216 62.984 63.200 -0.000 0.000 0.808 1041 S HN 0.240 nan 8.310 nan 0.000 0.478 1042 L N 0.695 121.909 121.223 -0.015 0.000 2.095 1042 L HA -0.005 4.335 4.340 0.001 0.000 0.204 1042 L C 2.236 179.214 176.870 0.179 0.000 1.080 1042 L CA 1.322 56.179 54.840 0.028 0.000 0.759 1042 L CB -0.529 41.427 42.059 -0.171 0.000 0.914 1042 L HN 0.272 nan 8.230 nan 0.000 0.439 1043 D N -0.483 119.978 120.400 0.101 0.000 2.218 1043 D HA -0.225 4.415 4.640 0.001 0.000 0.204 1043 D C 2.032 178.386 176.300 0.089 0.000 0.976 1043 D CA 0.933 55.004 54.000 0.118 0.000 0.853 1043 D CB 0.078 40.918 40.800 0.066 0.000 0.939 1043 D HN 0.370 nan 8.370 nan 0.000 0.481 1044 Q N -0.249 119.601 119.800 0.084 0.000 2.212 1044 Q HA 0.011 4.352 4.340 0.001 0.000 0.199 1044 Q C 2.008 178.060 176.000 0.087 0.000 0.950 1044 Q CA 0.301 56.141 55.803 0.061 0.000 0.863 1044 Q CB 0.046 28.821 28.738 0.062 0.000 0.944 1044 Q HN 0.220 nan 8.270 nan 0.000 0.465 1045 M N 0.197 119.908 119.600 0.186 0.000 2.557 1045 M HA -0.095 4.385 4.480 0.001 0.000 0.259 1045 M C 1.734 178.116 176.300 0.136 0.000 1.086 1045 M CA 1.143 56.631 55.300 0.313 0.000 1.096 1045 M CB 0.135 32.992 32.600 0.428 0.000 1.424 1045 M HN 0.002 nan 8.290 nan 0.000 0.488 1046 K N 0.488 120.887 120.400 -0.002 0.000 2.067 1046 K HA -0.112 4.208 4.320 0.001 0.000 0.203 1046 K C 2.138 178.622 176.600 -0.193 0.000 1.048 1046 K CA 0.950 57.061 56.287 -0.293 0.000 0.954 1046 K CB -0.088 32.312 32.500 -0.167 0.000 0.737 1046 K HN 0.176 nan 8.250 nan 0.000 0.444 1047 K N 0.731 121.065 120.400 -0.110 0.000 2.217 1047 K HA -0.109 4.211 4.320 0.001 0.000 0.202 1047 K C 1.913 178.402 176.600 -0.184 0.000 1.051 1047 K CA 1.162 57.380 56.287 -0.115 0.000 0.952 1047 K CB 0.175 32.633 32.500 -0.070 0.000 0.736 1047 K HN 0.304 nan 8.250 nan 0.000 0.453 1048 Q N -0.003 119.638 119.800 -0.265 0.000 2.172 1048 Q HA 0.012 4.352 4.340 0.001 0.000 0.200 1048 Q C 1.932 177.541 176.000 -0.653 0.000 0.964 1048 Q CA 0.873 56.313 55.803 -0.604 0.000 0.855 1048 Q CB 0.186 28.322 28.738 -1.002 0.000 0.918 1048 Q HN 0.324 nan 8.270 nan 0.000 0.444 1049 I N -0.330 120.053 120.570 -0.311 0.000 2.716 1049 I HA -0.080 4.090 4.170 0.001 0.000 0.259 1049 I C 2.005 178.044 176.117 -0.130 0.000 1.172 1049 I CA 0.445 61.669 61.300 -0.127 0.000 1.478 1049 I CB -0.060 37.894 38.000 -0.077 0.000 1.104 1049 I HN 0.070 nan 8.210 nan 0.000 0.439 1050 A N 0.034 122.763 122.820 -0.151 0.000 2.123 1050 A HA -0.106 4.214 4.320 0.001 0.000 0.214 1050 A C 1.685 179.218 177.584 -0.085 0.000 1.152 1050 A CA 1.135 53.108 52.037 -0.107 0.000 0.728 1050 A CB -0.267 18.671 19.000 -0.104 0.000 0.814 1050 A HN 0.233 nan 8.150 nan 0.000 0.464 1051 D N -1.042 119.288 120.400 -0.116 0.000 2.289 1051 D HA 0.028 4.669 4.640 0.001 0.000 0.207 1051 D C 1.672 177.941 176.300 -0.051 0.000 0.966 1051 D CA 0.706 54.652 54.000 -0.088 0.000 0.868 1051 D CB 0.341 41.066 40.800 -0.125 0.000 0.943 1051 D HN 0.193 nan 8.370 nan 0.000 0.514 1052 V N 0.169 120.049 119.914 -0.056 0.000 3.307 1052 V HA -0.005 4.116 4.120 0.001 0.000 0.253 1052 V C 2.135 178.246 176.094 0.028 0.000 1.149 1052 V CA 0.584 62.896 62.300 0.020 0.000 1.112 1052 V CB 0.301 32.176 31.823 0.086 0.000 0.777 1052 V HN 0.113 nan 8.190 nan 0.000 0.464 1053 E N 1.460 121.657 120.200 -0.004 0.000 2.015 1053 E HA -0.256 4.095 4.350 0.001 0.000 0.191 1053 E C 2.383 178.994 176.600 0.019 0.000 0.991 1053 E CA 1.633 58.030 56.400 -0.005 0.000 0.802 1053 E CB -0.033 29.648 29.700 -0.031 0.000 0.759 1053 E HN 0.689 nan 8.360 nan 0.000 0.447 1054 R N 0.261 120.770 120.500 0.015 0.000 2.152 1054 R HA -0.085 4.255 4.340 0.001 0.000 0.232 1054 R C 1.256 177.601 176.300 0.074 0.000 1.117 1054 R CA 1.570 57.691 56.100 0.035 0.000 0.981 1054 R CB -0.254 30.057 30.300 0.018 0.000 0.870 1054 R HN 0.068 nan 8.270 nan 0.000 0.451 1055 D N 0.350 120.801 120.400 0.083 0.000 2.378 1055 D HA 0.000 4.641 4.640 0.001 0.000 0.227 1055 D C 1.076 177.479 176.300 0.171 0.000 1.012 1055 D CA 0.497 54.579 54.000 0.137 0.000 0.905 1055 D CB 0.599 41.478 40.800 0.132 0.000 0.895 1055 D HN 0.113 nan 8.370 nan 0.000 0.532 1056 V N -0.339 119.658 119.914 0.137 0.000 3.645 1056 V HA 0.039 4.159 4.120 0.001 0.000 0.275 1056 V C 1.762 177.951 176.094 0.159 0.000 1.356 1056 V CA 0.504 62.887 62.300 0.138 0.000 1.051 1056 V CB 0.463 32.316 31.823 0.050 0.000 0.828 1056 V HN -0.002 nan 8.190 nan 0.000 0.441 1057 Q N -0.113 119.764 119.800 0.129 0.000 2.373 1057 Q HA 0.076 4.417 4.340 0.001 0.000 0.210 1057 Q C 1.420 177.488 176.000 0.112 0.000 0.913 1057 Q CA 0.698 56.562 55.803 0.102 0.000 0.911 1057 Q CB 0.222 28.996 28.738 0.061 0.000 1.040 1057 Q HN 0.511 nan 8.270 nan 0.000 0.521 1058 N N -0.579 118.203 118.700 0.135 0.000 2.280 1058 N HA 0.037 4.778 4.740 0.001 0.000 0.192 1058 N C -0.762 174.826 175.510 0.131 0.000 1.109 1058 N CA 0.076 53.189 53.050 0.105 0.000 0.855 1058 N CB 0.274 38.808 38.487 0.078 0.000 0.974 1058 N HN 0.050 nan 8.380 nan 0.000 0.482 1059 F N 2.613 122.571 119.950 0.013 0.000 2.504 1059 F HA 0.229 4.757 4.527 0.001 0.000 0.369 1059 F C -1.560 174.236 175.800 -0.008 0.000 1.082 1059 F CA -2.407 55.588 58.000 -0.009 0.000 1.216 1059 F CB 0.271 39.292 39.000 0.034 0.000 1.108 1059 F HN -0.039 nan 8.300 nan 0.000 0.554 1060 P HA 0.149 nan 4.420 nan 0.000 0.267 1060 P C -1.186 176.035 177.300 -0.132 0.000 1.200 1060 P CA -0.268 62.675 63.100 -0.261 0.000 0.772 1060 P CB 0.442 31.910 31.700 -0.387 0.000 0.855 1061 A N 2.702 125.494 122.820 -0.048 0.000 2.450 1061 A HA 0.465 4.786 4.320 0.001 0.000 0.255 1061 A C 0.592 178.176 177.584 0.001 0.000 1.096 1061 A CA -0.132 51.912 52.037 0.012 0.000 0.778 1061 A CB -0.410 18.598 19.000 0.014 0.000 1.031 1061 A HN 0.645 nan 8.150 nan 0.000 0.494 1062 A N 2.867 125.717 122.820 0.051 0.000 2.548 1062 A HA 0.365 4.685 4.320 0.001 0.000 0.247 1062 A C 1.551 179.148 177.584 0.021 0.000 1.067 1062 A CA 0.546 52.613 52.037 0.050 0.000 0.757 1062 A CB -0.371 18.685 19.000 0.095 0.000 0.996 1062 A HN 1.536 nan 8.150 nan 0.000 0.504 1063 T N 0.093 114.648 114.554 0.002 0.000 2.851 1063 T HA 0.040 4.390 4.350 0.001 0.000 0.262 1063 T C 0.460 175.165 174.700 0.009 0.000 1.043 1063 T CA 1.174 63.273 62.100 -0.002 0.000 1.140 1063 T CB -0.537 68.321 68.868 -0.017 0.000 0.872 1063 T HN 0.857 nan 8.240 nan 0.000 0.446 1064 D N -0.445 119.966 120.400 0.018 0.000 2.497 1064 D HA 0.356 4.997 4.640 0.001 0.000 0.243 1064 D C 0.259 176.580 176.300 0.036 0.000 1.039 1064 D CA -0.991 53.022 54.000 0.022 0.000 1.052 1064 D CB 1.253 42.064 40.800 0.018 0.000 1.344 1064 D HN 0.092 nan 8.370 nan 0.000 0.553 1065 E N -0.958 119.262 120.200 0.033 0.000 2.502 1065 E HA 0.022 4.372 4.350 0.001 0.000 0.194 1065 E C 0.774 177.400 176.600 0.044 0.000 1.062 1065 E CA 0.191 56.613 56.400 0.037 0.000 0.867 1065 E CB 0.166 29.883 29.700 0.028 0.000 0.888 1065 E HN 0.353 nan 8.360 nan 0.000 0.510 1066 K N 0.719 121.147 120.400 0.047 0.000 2.426 1066 K HA -0.012 4.308 4.320 0.001 0.000 0.193 1066 K C 0.508 177.154 176.600 0.076 0.000 1.028 1066 K CA 0.219 56.538 56.287 0.054 0.000 1.047 1066 K CB 0.322 32.851 32.500 0.049 0.000 0.821 1066 K HN -0.051 nan 8.250 nan 0.000 0.513 1067 D N 2.316 122.770 120.400 0.090 0.000 2.619 1067 D HA 0.033 4.673 4.640 0.001 0.000 0.224 1067 D C -0.253 176.142 176.300 0.159 0.000 1.133 1067 D CA 0.066 54.149 54.000 0.137 0.000 1.017 1067 D CB 0.202 41.088 40.800 0.142 0.000 1.077 1067 D HN -0.014 nan 8.370 nan 0.000 0.503 1068 K N 1.886 122.365 120.400 0.132 0.000 2.627 1068 K HA 0.028 4.348 4.320 0.001 0.000 0.212 1068 K C 1.078 177.735 176.600 0.094 0.000 1.041 1068 K CA -0.349 55.995 56.287 0.096 0.000 1.205 1068 K CB 0.284 32.815 32.500 0.051 0.000 0.936 1068 K HN 0.306 nan 8.250 nan 0.000 0.489 1069 F N 0.782 120.736 119.950 0.007 0.000 2.025 1069 F HA -0.215 4.313 4.527 0.001 0.000 0.291 1069 F C 1.864 177.593 175.800 -0.117 0.000 1.150 1069 F CA 1.231 59.177 58.000 -0.090 0.000 1.166 1069 F CB -0.177 38.725 39.000 -0.164 0.000 0.995 1069 F HN -0.225 nan 8.300 nan 0.000 0.474 1070 V N 0.902 120.975 119.914 0.266 0.000 2.764 1070 V HA -0.322 3.798 4.120 0.001 0.000 0.261 1070 V C 2.142 178.250 176.094 0.024 0.000 1.108 1070 V CA 2.204 64.595 62.300 0.153 0.000 1.129 1070 V CB -1.140 30.837 31.823 0.255 0.000 0.701 1070 V HN 0.560 nan 8.190 nan 0.000 0.495 1071 E N 0.538 120.742 120.200 0.007 0.000 2.045 1071 E HA -0.123 4.228 4.350 0.001 0.000 0.190 1071 E C 2.204 178.764 176.600 -0.066 0.000 0.968 1071 E CA 0.641 57.033 56.400 -0.014 0.000 0.813 1071 E CB 0.021 29.728 29.700 0.012 0.000 0.780 1071 E HN 0.565 nan 8.360 nan 0.000 0.455 1072 K N -0.188 120.145 120.400 -0.112 0.000 2.167 1072 K HA 0.036 4.357 4.320 0.001 0.000 0.203 1072 K C 1.864 178.357 176.600 -0.179 0.000 1.052 1072 K CA 0.673 56.884 56.287 -0.127 0.000 0.956 1072 K CB 0.096 32.521 32.500 -0.125 0.000 0.735 1072 K HN 0.224 nan 8.250 nan 0.000 0.451 1073 M N 0.566 119.952 119.600 -0.357 0.000 2.659 1073 M HA -0.006 4.474 4.480 0.001 0.000 0.243 1073 M C 1.179 177.387 176.300 -0.155 0.000 1.111 1073 M CA 1.131 56.211 55.300 -0.366 0.000 1.070 1073 M CB -0.363 31.702 32.600 -0.891 0.000 1.525 1073 M HN -0.000 nan 8.290 nan 0.000 0.517 1074 T N -1.099 113.387 114.554 -0.113 0.000 3.040 1074 T HA 0.019 4.369 4.350 0.001 0.000 0.252 1074 T C 1.893 176.570 174.700 -0.038 0.000 1.064 1074 T CA 1.046 63.112 62.100 -0.056 0.000 1.110 1074 T CB 0.292 69.138 68.868 -0.038 0.000 0.921 1074 T HN 0.391 nan 8.240 nan 0.000 0.480 1075 S N 0.486 116.170 115.700 -0.027 0.000 2.436 1075 S HA 0.042 4.512 4.470 0.001 0.000 0.228 1075 S C 1.623 176.226 174.600 0.004 0.000 1.014 1075 S CA 0.271 58.463 58.200 -0.014 0.000 0.950 1075 S CB -0.350 62.845 63.200 -0.007 0.000 0.784 1075 S HN 0.430 nan 8.310 nan 0.000 0.504 1076 F N 2.008 121.868 119.950 -0.150 0.000 2.074 1076 F HA 0.150 4.677 4.527 0.001 0.000 0.290 1076 F C 2.074 177.759 175.800 -0.191 0.000 1.118 1076 F CA 1.210 59.098 58.000 -0.186 0.000 1.199 1076 F CB -0.774 38.096 39.000 -0.218 0.000 1.012 1076 F HN 0.014 nan 8.300 nan 0.000 0.472 1077 V N 1.361 121.183 119.914 -0.152 0.000 2.764 1077 V HA -0.334 3.787 4.120 0.001 0.000 0.261 1077 V C 2.396 178.345 176.094 -0.242 0.000 1.108 1077 V CA 2.251 64.412 62.300 -0.231 0.000 1.129 1077 V CB -0.956 30.826 31.823 -0.068 0.000 0.701 1077 V HN 0.380 nan 8.190 nan 0.000 0.495 1078 K N 0.288 120.573 120.400 -0.192 0.000 2.029 1078 K HA -0.170 4.150 4.320 0.001 0.000 0.205 1078 K C 1.993 178.487 176.600 -0.177 0.000 1.042 1078 K CA 1.565 57.766 56.287 -0.142 0.000 0.949 1078 K CB -0.239 32.211 32.500 -0.084 0.000 0.740 1078 K HN 0.417 nan 8.250 nan 0.000 0.442 1079 D N 0.184 120.454 120.400 -0.217 0.000 2.218 1079 D HA -0.087 4.553 4.640 0.001 0.000 0.204 1079 D C 1.502 177.633 176.300 -0.282 0.000 0.976 1079 D CA 1.235 55.118 54.000 -0.195 0.000 0.853 1079 D CB 0.131 40.845 40.800 -0.144 0.000 0.939 1079 D HN 0.347 nan 8.370 nan 0.000 0.481 1080 A N -0.108 122.345 122.820 -0.612 0.000 1.903 1080 A HA -0.065 4.256 4.320 0.001 0.000 0.213 1080 A C 2.133 179.576 177.584 -0.235 0.000 1.185 1080 A CA 1.106 52.669 52.037 -0.790 0.000 0.628 1080 A CB -0.675 17.294 19.000 -1.719 0.000 0.830 1080 A HN 0.321 nan 8.150 nan 0.000 0.446 1081 Q N -0.566 119.105 119.800 -0.215 0.000 2.515 1081 Q HA -0.105 4.235 4.340 0.001 0.000 0.212 1081 Q C 1.641 177.671 176.000 0.050 0.000 0.970 1081 Q CA 1.153 56.922 55.803 -0.058 0.000 0.941 1081 Q CB 0.008 28.684 28.738 -0.103 0.000 0.998 1081 Q HN 0.825 nan 8.270 nan 0.000 0.518 1082 E N -0.396 119.814 120.200 0.015 0.000 2.079 1082 E HA -0.126 4.225 4.350 0.001 0.000 0.191 1082 E C 1.730 178.385 176.600 0.092 0.000 0.961 1082 E CA 0.549 56.974 56.400 0.042 0.000 0.823 1082 E CB 0.133 29.832 29.700 -0.003 0.000 0.789 1082 E HN 0.362 nan 8.360 nan 0.000 0.459 1083 Q N -0.519 119.356 119.800 0.126 0.000 2.119 1083 Q HA -0.194 4.146 4.340 0.001 0.000 0.201 1083 Q C 1.964 178.060 176.000 0.161 0.000 0.972 1083 Q CA 1.528 57.418 55.803 0.144 0.000 0.847 1083 Q CB -0.293 28.566 28.738 0.202 0.000 0.903 1083 Q HN 0.427 nan 8.270 nan 0.000 0.433 1084 Y N 1.999 122.379 120.300 0.133 0.000 2.151 1084 Y HA -0.293 4.257 4.550 0.001 0.000 0.284 1084 Y C 1.739 177.672 175.900 0.056 0.000 1.166 1084 Y CA 1.583 59.746 58.100 0.105 0.000 1.163 1084 Y CB -0.096 38.443 38.460 0.131 0.000 0.974 1084 Y HN 0.109 nan 8.280 nan 0.000 0.511 1085 N N 0.686 119.490 118.700 0.173 0.000 2.120 1085 N HA -0.159 4.582 4.740 0.001 0.000 0.188 1085 N C 1.619 177.103 175.510 -0.043 0.000 1.024 1085 N CA 1.824 54.905 53.050 0.051 0.000 0.852 1085 N CB -0.313 38.247 38.487 0.122 0.000 1.003 1085 N HN 0.476 nan 8.380 nan 0.000 0.424 1086 K N 0.711 121.103 120.400 -0.013 0.000 2.057 1086 K HA -0.022 4.299 4.320 0.001 0.000 0.207 1086 K C 2.137 178.704 176.600 -0.055 0.000 1.049 1086 K CA 0.772 57.045 56.287 -0.023 0.000 0.931 1086 K CB -0.182 32.316 32.500 -0.003 0.000 0.714 1086 K HN 0.132 nan 8.250 nan 0.000 0.440 1087 L N 0.473 121.641 121.223 -0.092 0.000 2.027 1087 L HA -0.145 4.195 4.340 0.001 0.000 0.206 1087 L C 2.702 179.488 176.870 -0.139 0.000 1.074 1087 L CA 1.174 55.947 54.840 -0.113 0.000 0.745 1087 L CB -0.414 41.559 42.059 -0.144 0.000 0.898 1087 L HN 0.171 nan 8.230 nan 0.000 0.433 1088 R N -0.226 120.102 120.500 -0.287 0.000 2.159 1088 R HA -0.181 4.159 4.340 0.001 0.000 0.237 1088 R C 2.301 178.563 176.300 -0.064 0.000 1.131 1088 R CA 1.215 57.166 56.100 -0.248 0.000 0.982 1088 R CB 0.036 30.083 30.300 -0.422 0.000 0.868 1088 R HN 0.242 nan 8.270 nan 0.000 0.453 1089 M N 0.103 119.668 119.600 -0.057 0.000 2.074 1089 M HA -0.159 4.322 4.480 0.001 0.000 0.259 1089 M C 2.339 178.634 176.300 -0.008 0.000 1.079 1089 M CA 1.857 57.144 55.300 -0.022 0.000 1.119 1089 M CB -0.943 31.645 32.600 -0.020 0.000 1.297 1089 M HN 0.208 nan 8.290 nan 0.000 0.416 1090 M N -1.001 118.595 119.600 -0.007 0.000 2.116 1090 M HA -0.284 4.196 4.480 0.001 0.000 0.255 1090 M C 2.195 178.507 176.300 0.021 0.000 1.075 1090 M CA 2.117 57.418 55.300 0.002 0.000 1.087 1090 M CB -1.073 31.527 32.600 0.001 0.000 1.340 1090 M HN 0.348 nan 8.290 nan 0.000 0.402 1091 H N -0.140 118.897 119.070 -0.055 0.000 2.357 1091 H HA -0.034 4.523 4.556 0.001 0.000 0.301 1091 H C 2.081 177.395 175.328 -0.023 0.000 1.082 1091 H CA 2.030 58.053 56.048 -0.042 0.000 1.342 1091 H CB 0.060 29.784 29.762 -0.064 0.000 1.389 1091 H HN 0.230 nan 8.280 nan 0.000 0.511 1092 S N 0.047 115.729 115.700 -0.030 0.000 2.402 1092 S HA -0.172 4.298 4.470 0.001 0.000 0.229 1092 S C 2.031 176.582 174.600 -0.081 0.000 1.021 1092 S CA 0.960 59.119 58.200 -0.067 0.000 0.974 1092 S CB -0.317 62.880 63.200 -0.004 0.000 0.800 1092 S HN 0.595 nan 8.310 nan 0.000 0.484 1093 N N 1.626 120.292 118.700 -0.056 0.000 2.028 1093 N HA -0.122 4.619 4.740 0.001 0.000 0.194 1093 N C 1.945 177.425 175.510 -0.049 0.000 1.050 1093 N CA 1.408 54.432 53.050 -0.044 0.000 0.848 1093 N CB -0.430 38.040 38.487 -0.029 0.000 1.038 1093 N HN 0.356 nan 8.380 nan 0.000 0.423 1094 M N 1.186 120.751 119.600 -0.058 0.000 2.113 1094 M HA -0.236 4.245 4.480 0.001 0.000 0.255 1094 M C 1.780 178.061 176.300 -0.031 0.000 1.073 1094 M CA 1.917 57.193 55.300 -0.040 0.000 1.091 1094 M CB -0.337 32.230 32.600 -0.055 0.000 1.309 1094 M HN 0.229 nan 8.290 nan 0.000 0.407 1095 E N -0.962 119.161 120.200 -0.128 0.000 2.171 1095 E HA -0.199 4.152 4.350 0.001 0.000 0.197 1095 E C 1.784 178.389 176.600 0.008 0.000 0.997 1095 E CA 1.925 58.284 56.400 -0.069 0.000 0.810 1095 E CB -0.207 29.391 29.700 -0.170 0.000 0.738 1095 E HN 0.618 nan 8.360 nan 0.000 0.467 1096 T N 1.390 115.928 114.554 -0.026 0.000 2.812 1096 T HA -0.074 4.276 4.350 0.001 0.000 0.264 1096 T C 1.980 176.667 174.700 -0.020 0.000 1.042 1096 T CA 0.625 62.707 62.100 -0.029 0.000 1.140 1096 T CB -0.145 68.699 68.868 -0.039 0.000 0.870 1096 T HN 0.088 nan 8.240 nan 0.000 0.445 1097 L N -0.193 121.036 121.223 0.010 0.000 2.042 1097 L HA -0.148 4.192 4.340 0.001 0.000 0.210 1097 L C 2.403 179.314 176.870 0.070 0.000 1.076 1097 L CA 1.670 56.529 54.840 0.032 0.000 0.749 1097 L CB -0.575 41.523 42.059 0.064 0.000 0.893 1097 L HN 0.286 nan 8.230 nan 0.000 0.432 1098 Y N 0.672 120.966 120.300 -0.011 0.000 2.293 1098 Y HA -0.207 4.344 4.550 0.001 0.000 0.291 1098 Y C 2.637 178.467 175.900 -0.117 0.000 1.137 1098 Y CA 1.408 59.496 58.100 -0.020 0.000 1.202 1098 Y CB -0.072 38.405 38.460 0.028 0.000 0.990 1098 Y HN -0.038 nan 8.280 nan 0.000 0.537 1099 K N 0.869 121.170 120.400 -0.165 0.000 2.155 1099 K HA -0.153 4.167 4.320 0.001 0.000 0.203 1099 K C 1.658 178.070 176.600 -0.313 0.000 1.052 1099 K CA 1.660 57.781 56.287 -0.277 0.000 0.948 1099 K CB -0.062 32.356 32.500 -0.137 0.000 0.728 1099 K HN 0.531 nan 8.250 nan 0.000 0.448 1100 E N 0.558 120.630 120.200 -0.213 0.000 2.072 1100 E HA -0.091 4.259 4.350 0.001 0.000 0.190 1100 E C 2.180 178.644 176.600 -0.226 0.000 0.982 1100 E CA 0.578 56.862 56.400 -0.194 0.000 0.803 1100 E CB -0.025 29.594 29.700 -0.135 0.000 0.755 1100 E HN 0.205 nan 8.360 nan 0.000 0.453 1101 L N 0.566 121.668 121.223 -0.203 0.000 2.043 1101 L HA -0.182 4.158 4.340 0.001 0.000 0.212 1101 L C 2.550 179.185 176.870 -0.392 0.000 1.075 1101 L CA 1.378 56.149 54.840 -0.114 0.000 0.752 1101 L CB -0.726 41.368 42.059 0.060 0.000 0.891 1101 L HN 0.274 nan 8.230 nan 0.000 0.432 1102 G N -0.794 107.416 108.800 -0.984 0.000 2.422 1102 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 1102 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 1102 G C 1.174 175.595 174.900 -0.799 0.000 1.146 1102 G CA 0.782 44.846 45.100 -1.727 0.000 0.769 1102 G HN 0.310 nan 8.290 nan 0.000 0.547 1103 D N -0.764 119.360 120.400 -0.461 0.000 2.117 1103 D HA -0.084 4.556 4.640 0.001 0.000 0.198 1103 D C 1.924 178.119 176.300 -0.175 0.000 0.982 1103 D CA 0.667 54.511 54.000 -0.261 0.000 0.828 1103 D CB -0.201 40.487 40.800 -0.187 0.000 0.967 1103 D HN 0.370 nan 8.370 nan 0.000 0.464 1104 Y N -0.087 120.011 120.300 -0.337 0.000 2.220 1104 Y HA -0.105 4.445 4.550 0.001 0.000 0.291 1104 Y C 1.440 177.109 175.900 -0.384 0.000 1.129 1104 Y CA 1.226 59.090 58.100 -0.393 0.000 1.161 1104 Y CB -0.185 37.956 38.460 -0.532 0.000 0.997 1104 Y HN -0.177 nan 8.280 nan 0.000 0.522 1105 F N -0.794 119.121 119.950 -0.058 0.000 2.695 1105 F HA 0.296 4.823 4.527 0.001 0.000 0.303 1105 F C 0.396 176.215 175.800 0.032 0.000 1.091 1105 F CA -0.251 57.734 58.000 -0.024 0.000 1.300 1105 F CB -0.086 39.062 39.000 0.247 0.000 1.071 1105 F HN -0.284 nan 8.300 nan 0.000 0.578 1106 V N 1.357 121.306 119.914 0.058 0.000 5.979 1106 V HA -0.273 3.848 4.120 0.001 0.000 0.296 1106 V C -0.768 175.412 176.094 0.143 0.000 0.582 1106 V CA 0.486 62.791 62.300 0.010 0.000 0.932 1106 V CB -2.826 28.998 31.823 0.002 0.000 1.005 1106 V HN 0.350 nan 8.190 nan 0.000 0.511 1107 F N -0.509 119.420 119.950 -0.035 0.000 2.654 1107 F HA 0.814 5.342 4.527 0.001 0.000 0.308 1107 F C -0.651 175.094 175.800 -0.092 0.000 1.108 1107 F CA -1.569 56.410 58.000 -0.036 0.000 0.957 1107 F CB 1.532 40.533 39.000 0.003 0.000 1.309 1107 F HN 0.060 nan 8.300 nan 0.000 0.446 1108 D N 3.812 124.291 120.400 0.132 0.000 2.352 1108 D HA 0.354 4.994 4.640 0.001 0.000 0.245 1108 D C -1.812 174.525 176.300 0.060 0.000 1.224 1108 D CA -2.306 51.703 54.000 0.014 0.000 0.879 1108 D CB 1.514 42.349 40.800 0.058 0.000 1.057 1108 D HN 0.293 nan 8.370 nan 0.000 0.491 1109 P HA -0.093 nan 4.420 nan 0.000 0.221 1109 P C 0.600 177.990 177.300 0.151 0.000 1.145 1109 P CA 1.129 64.153 63.100 -0.127 0.000 0.795 1109 P CB 0.304 31.805 31.700 -0.333 0.000 0.775 1110 K N -0.893 119.560 120.400 0.089 0.000 2.361 1110 K HA 0.051 4.372 4.320 0.001 0.000 0.196 1110 K C 1.779 178.449 176.600 0.117 0.000 1.039 1110 K CA 0.591 56.941 56.287 0.105 0.000 1.001 1110 K CB 0.064 32.598 32.500 0.057 0.000 0.795 1110 K HN 0.022 nan 8.250 nan 0.000 0.495 1111 K N 0.466 120.942 120.400 0.127 0.000 2.393 1111 K HA 0.120 4.440 4.320 0.001 0.000 0.193 1111 K C -0.633 176.053 176.600 0.144 0.000 1.026 1111 K CA 0.094 56.452 56.287 0.118 0.000 1.064 1111 K CB 0.431 32.995 32.500 0.106 0.000 0.833 1111 K HN -0.084 nan 8.250 nan 0.000 0.521 1112 L N 0.501 121.844 121.223 0.201 0.000 2.482 1112 L HA 0.250 4.590 4.340 0.001 0.000 0.269 1112 L C -0.562 176.477 176.870 0.281 0.000 0.967 1112 L CA -0.487 54.489 54.840 0.226 0.000 0.851 1112 L CB 1.644 43.857 42.059 0.256 0.000 1.242 1112 L HN 0.005 nan 8.230 nan 0.000 0.404 1113 S N 3.292 119.098 115.700 0.177 0.000 2.584 1113 S HA 0.231 4.701 4.470 0.001 0.000 0.270 1113 S C 1.339 175.946 174.600 0.012 0.000 1.346 1113 S CA -0.030 58.232 58.200 0.102 0.000 1.018 1113 S CB 1.181 64.421 63.200 0.067 0.000 0.899 1113 S HN 0.538 nan 8.310 nan 0.000 0.542 1114 V N 2.814 122.577 119.914 -0.252 0.000 2.219 1114 V HA -0.218 3.903 4.120 0.001 0.000 0.248 1114 V C 2.972 179.092 176.094 0.043 0.000 1.053 1114 V CA 2.348 64.376 62.300 -0.454 0.000 1.009 1114 V CB -1.310 30.287 31.823 -0.377 0.000 0.636 1114 V HN 1.053 nan 8.190 nan 0.000 0.445 1115 E N 0.473 120.719 120.200 0.076 0.000 2.160 1115 E HA -0.317 4.034 4.350 0.001 0.000 0.195 1115 E C 1.961 178.645 176.600 0.139 0.000 0.991 1115 E CA 1.956 58.437 56.400 0.134 0.000 0.810 1115 E CB -0.490 29.252 29.700 0.070 0.000 0.742 1115 E HN 0.745 nan 8.360 nan 0.000 0.466 1116 E N -0.111 120.157 120.200 0.112 0.000 2.051 1116 E HA -0.138 4.212 4.350 0.001 0.000 0.192 1116 E C 1.900 178.558 176.600 0.097 0.000 0.991 1116 E CA 1.103 57.563 56.400 0.100 0.000 0.799 1116 E CB -0.266 29.495 29.700 0.101 0.000 0.748 1116 E HN 0.297 nan 8.360 nan 0.000 0.449 1117 F N 0.301 120.232 119.950 -0.032 0.000 2.069 1117 F HA -0.221 4.306 4.527 0.001 0.000 0.298 1117 F C 1.792 177.474 175.800 -0.196 0.000 1.113 1117 F CA 1.592 59.497 58.000 -0.159 0.000 1.214 1117 F CB -0.364 38.544 39.000 -0.152 0.000 0.978 1117 F HN -0.029 nan 8.300 nan 0.000 0.474 1118 F N -0.779 119.210 119.950 0.065 0.000 2.325 1118 F HA -0.158 4.370 4.527 0.001 0.000 0.299 1118 F C 2.297 178.082 175.800 -0.025 0.000 1.090 1118 F CA 0.891 58.873 58.000 -0.030 0.000 1.392 1118 F CB -0.429 38.624 39.000 0.088 0.000 1.053 1118 F HN 0.109 nan 8.300 nan 0.000 0.521 1119 M N 0.600 120.291 119.600 0.151 0.000 2.086 1119 M HA -0.193 4.288 4.480 0.001 0.000 0.261 1119 M C 1.690 178.044 176.300 0.090 0.000 1.067 1119 M CA 1.825 57.204 55.300 0.132 0.000 1.116 1119 M CB -0.697 31.960 32.600 0.094 0.000 1.348 1119 M HN -0.122 nan 8.290 nan 0.000 0.407 1120 D N -0.022 120.363 120.400 -0.026 0.000 2.133 1120 D HA -0.175 4.465 4.640 0.001 0.000 0.195 1120 D C 2.031 178.293 176.300 -0.065 0.000 0.997 1120 D CA 1.491 55.446 54.000 -0.075 0.000 0.840 1120 D CB -0.438 40.260 40.800 -0.171 0.000 0.947 1120 D HN 0.372 nan 8.370 nan 0.000 0.452 1121 L N 0.123 121.243 121.223 -0.171 0.000 2.027 1121 L HA -0.135 4.206 4.340 0.001 0.000 0.206 1121 L C 2.289 179.242 176.870 0.138 0.000 1.074 1121 L CA 1.807 56.598 54.840 -0.081 0.000 0.745 1121 L CB -0.817 41.071 42.059 -0.285 0.000 0.898 1121 L HN 0.087 nan 8.230 nan 0.000 0.433 1122 H N -0.422 118.688 119.070 0.067 0.000 2.319 1122 H HA -0.178 4.379 4.556 0.001 0.000 0.297 1122 H C 2.050 177.421 175.328 0.072 0.000 1.097 1122 H CA 2.307 58.401 56.048 0.076 0.000 1.285 1122 H CB -0.116 29.683 29.762 0.062 0.000 1.368 1122 H HN 0.363 nan 8.280 nan 0.000 0.495 1123 N N -0.175 118.510 118.700 -0.025 0.000 2.069 1123 N HA -0.183 4.557 4.740 0.001 0.000 0.191 1123 N C 1.872 177.376 175.510 -0.010 0.000 1.031 1123 N CA 1.400 54.408 53.050 -0.070 0.000 0.852 1123 N CB -0.778 37.730 38.487 0.034 0.000 1.018 1123 N HN 0.384 nan 8.380 nan 0.000 0.423 1124 F N 2.489 122.417 119.950 -0.038 0.000 2.102 1124 F HA -0.118 4.409 4.527 0.001 0.000 0.298 1124 F C 2.566 178.428 175.800 0.105 0.000 1.105 1124 F CA 1.395 59.418 58.000 0.037 0.000 1.239 1124 F CB -0.372 38.663 39.000 0.059 0.000 0.991 1124 F HN -0.068 nan 8.300 nan 0.000 0.474 1125 R N 0.539 121.055 120.500 0.026 0.000 2.113 1125 R HA -0.246 4.095 4.340 0.001 0.000 0.244 1125 R C 2.023 178.215 176.300 -0.181 0.000 1.142 1125 R CA 2.155 58.209 56.100 -0.078 0.000 0.953 1125 R CB -0.646 29.635 30.300 -0.032 0.000 0.860 1125 R HN 0.319 nan 8.270 nan 0.000 0.438 1126 N N 0.604 119.171 118.700 -0.221 0.000 2.069 1126 N HA -0.185 4.555 4.740 0.001 0.000 0.191 1126 N C 1.883 177.299 175.510 -0.157 0.000 1.031 1126 N CA 1.911 54.843 53.050 -0.197 0.000 0.852 1126 N CB -0.357 37.986 38.487 -0.239 0.000 1.018 1126 N HN 0.350 nan 8.380 nan 0.000 0.423 1127 M N -0.587 118.914 119.600 -0.166 0.000 2.144 1127 M HA -0.194 4.287 4.480 0.001 0.000 0.260 1127 M C 1.930 178.094 176.300 -0.225 0.000 1.067 1127 M CA 1.374 56.575 55.300 -0.165 0.000 1.095 1127 M CB -0.423 32.103 32.600 -0.124 0.000 1.365 1127 M HN 0.079 nan 8.290 nan 0.000 0.406 1128 F N 1.289 120.976 119.950 -0.438 0.000 2.074 1128 F HA -0.135 4.392 4.527 0.001 0.000 0.293 1128 F C 2.023 177.671 175.800 -0.254 0.000 1.116 1128 F CA 1.436 59.204 58.000 -0.387 0.000 1.212 1128 F CB -0.311 38.447 39.000 -0.403 0.000 0.998 1128 F HN -0.091 nan 8.300 nan 0.000 0.471 1129 L N 0.181 121.402 121.223 -0.003 0.000 2.089 1129 L HA -0.304 4.036 4.340 0.001 0.000 0.213 1129 L C 2.535 179.321 176.870 -0.140 0.000 1.079 1129 L CA 1.949 56.752 54.840 -0.063 0.000 0.758 1129 L CB -0.906 41.114 42.059 -0.065 0.000 0.891 1129 L HN 0.372 nan 8.230 nan 0.000 0.433 1130 Q N -0.271 119.438 119.800 -0.151 0.000 2.187 1130 Q HA -0.130 4.210 4.340 0.001 0.000 0.199 1130 Q C 2.311 178.220 176.000 -0.151 0.000 0.957 1130 Q CA 1.151 56.881 55.803 -0.122 0.000 0.857 1130 Q CB 0.061 28.745 28.738 -0.090 0.000 0.929 1130 Q HN 0.519 nan 8.270 nan 0.000 0.453 1131 A N -0.003 122.631 122.820 -0.310 0.000 1.898 1131 A HA -0.107 4.214 4.320 0.001 0.000 0.216 1131 A C 2.178 179.600 177.584 -0.270 0.000 1.181 1131 A CA 1.282 53.038 52.037 -0.468 0.000 0.620 1131 A CB -0.738 17.698 19.000 -0.940 0.000 0.819 1131 A HN 0.272 nan 8.150 nan 0.000 0.442 1132 V N 0.533 120.223 119.914 -0.374 0.000 2.250 1132 V HA -0.357 3.763 4.120 0.001 0.000 0.250 1132 V C 2.580 178.605 176.094 -0.115 0.000 1.060 1132 V CA 2.626 64.772 62.300 -0.257 0.000 1.030 1132 V CB -0.717 30.953 31.823 -0.255 0.000 0.643 1132 V HN 0.714 nan 8.190 nan 0.000 0.445 1133 K N -0.199 120.145 120.400 -0.094 0.000 2.057 1133 K HA -0.232 4.089 4.320 0.001 0.000 0.207 1133 K C 2.137 178.724 176.600 -0.022 0.000 1.049 1133 K CA 1.973 58.231 56.287 -0.050 0.000 0.931 1133 K CB -0.147 32.325 32.500 -0.046 0.000 0.714 1133 K HN 0.587 nan 8.250 nan 0.000 0.440 1134 E N 0.114 120.317 120.200 0.005 0.000 2.150 1134 E HA -0.145 4.206 4.350 0.001 0.000 0.193 1134 E C 1.851 178.468 176.600 0.029 0.000 0.985 1134 E CA 0.797 57.218 56.400 0.035 0.000 0.814 1134 E CB 0.001 29.763 29.700 0.103 0.000 0.752 1134 E HN 0.308 nan 8.360 nan 0.000 0.466 1135 N N 1.149 119.879 118.700 0.051 0.000 2.036 1135 N HA -0.203 4.538 4.740 0.001 0.000 0.195 1135 N C 1.762 177.267 175.510 -0.009 0.000 1.037 1135 N CA 1.278 54.341 53.050 0.021 0.000 0.855 1135 N CB -0.266 38.221 38.487 0.000 0.000 1.033 1135 N HN 0.264 nan 8.380 nan 0.000 0.423 1136 Q N 0.314 120.104 119.800 -0.017 0.000 2.030 1136 Q HA -0.153 4.187 4.340 0.001 0.000 0.204 1136 Q C 1.957 177.948 176.000 -0.016 0.000 0.986 1136 Q CA 1.440 57.231 55.803 -0.019 0.000 0.843 1136 Q CB -0.142 28.582 28.738 -0.022 0.000 0.904 1136 Q HN 0.103 nan 8.270 nan 0.000 0.420 1137 K N 1.183 121.574 120.400 -0.015 0.000 2.063 1137 K HA -0.180 4.141 4.320 0.001 0.000 0.208 1137 K C 1.872 178.462 176.600 -0.016 0.000 1.048 1137 K CA 1.505 57.783 56.287 -0.015 0.000 0.928 1137 K CB -0.220 32.272 32.500 -0.014 0.000 0.713 1137 K HN 0.059 nan 8.250 nan 0.000 0.442 1138 R N 0.042 120.531 120.500 -0.018 0.000 2.080 1138 R HA -0.090 4.250 4.340 0.001 0.000 0.236 1138 R C 2.271 178.561 176.300 -0.018 0.000 1.137 1138 R CA 1.851 57.938 56.100 -0.022 0.000 0.943 1138 R CB -0.112 30.172 30.300 -0.028 0.000 0.846 1138 R HN 0.130 nan 8.270 nan 0.000 0.431 1139 R N 0.101 120.591 120.500 -0.016 0.000 2.075 1139 R HA -0.115 4.226 4.340 0.001 0.000 0.232 1139 R C 2.249 178.541 176.300 -0.013 0.000 1.126 1139 R CA 1.675 57.766 56.100 -0.015 0.000 0.963 1139 R CB -0.182 30.108 30.300 -0.017 0.000 0.858 1139 R HN 0.432 nan 8.270 nan 0.000 0.435 1140 E N -0.273 119.919 120.200 -0.013 0.000 2.058 1140 E HA -0.169 4.181 4.350 0.001 0.000 0.194 1140 E C 1.840 178.433 176.600 -0.011 0.000 0.997 1140 E CA 1.802 58.195 56.400 -0.012 0.000 0.801 1140 E CB -0.070 29.623 29.700 -0.012 0.000 0.746 1140 E HN 0.294 nan 8.360 nan 0.000 0.450 1141 T N 0.871 115.417 114.554 -0.013 0.000 2.915 1141 T HA -0.119 4.232 4.350 0.001 0.000 0.269 1141 T C 1.568 176.261 174.700 -0.011 0.000 1.071 1141 T CA 1.020 63.112 62.100 -0.012 0.000 1.132 1141 T CB -0.103 68.756 68.868 -0.014 0.000 0.878 1141 T HN 0.210 nan 8.240 nan 0.000 0.479 1142 E N 0.519 120.712 120.200 -0.011 0.000 2.072 1142 E HA -0.093 4.258 4.350 0.001 0.000 0.190 1142 E C 2.388 178.983 176.600 -0.008 0.000 0.982 1142 E CA 0.602 56.997 56.400 -0.009 0.000 0.803 1142 E CB 0.065 29.759 29.700 -0.009 0.000 0.755 1142 E HN 0.381 nan 8.360 nan 0.000 0.453 1143 E N 1.211 121.405 120.200 -0.009 0.000 2.005 1143 E HA -0.250 4.100 4.350 0.001 0.000 0.198 1143 E C 1.972 178.568 176.600 -0.007 0.000 1.010 1143 E CA 1.128 57.524 56.400 -0.008 0.000 0.825 1143 E CB -0.412 29.283 29.700 -0.008 0.000 0.769 1143 E HN 0.136 nan 8.360 nan 0.000 0.456 1144 K N 0.394 120.789 120.400 -0.007 0.000 2.077 1144 K HA -0.209 4.112 4.320 0.001 0.000 0.213 1144 K C 2.299 178.895 176.600 -0.006 0.000 1.051 1144 K CA 2.150 58.433 56.287 -0.007 0.000 0.929 1144 K CB -0.214 32.282 32.500 -0.007 0.000 0.715 1144 K HN 0.059 nan 8.250 nan 0.000 0.451 1145 M N -0.204 119.392 119.600 -0.007 0.000 2.159 1145 M HA -0.155 4.326 4.480 0.001 0.000 0.263 1145 M C 2.340 178.637 176.300 -0.005 0.000 1.063 1145 M CA 1.558 56.855 55.300 -0.006 0.000 1.110 1145 M CB -0.087 32.509 32.600 -0.007 0.000 1.374 1145 M HN 0.173 nan 8.290 nan 0.000 0.411 1146 R N -0.416 120.081 120.500 -0.005 0.000 2.057 1146 R HA -0.043 4.298 4.340 0.001 0.000 0.229 1146 R C 2.244 178.542 176.300 -0.004 0.000 1.136 1146 R CA 1.297 57.394 56.100 -0.004 0.000 0.952 1146 R CB -0.141 30.156 30.300 -0.004 0.000 0.848 1146 R HN 0.294 nan 8.270 nan 0.000 0.430 1147 R N 0.067 120.564 120.500 -0.004 0.000 2.105 1147 R HA -0.115 4.226 4.340 0.001 0.000 0.239 1147 R C 2.245 178.543 176.300 -0.004 0.000 1.135 1147 R CA 1.464 57.562 56.100 -0.004 0.000 0.967 1147 R CB -0.339 29.959 30.300 -0.004 0.000 0.861 1147 R HN 0.221 nan 8.270 nan 0.000 0.442 1148 A N 1.194 124.012 122.820 -0.004 0.000 1.972 1148 A HA -0.182 4.139 4.320 0.001 0.000 0.219 1148 A C 2.038 179.620 177.584 -0.003 0.000 1.169 1148 A CA 1.251 53.286 52.037 -0.004 0.000 0.635 1148 A CB -0.309 18.688 19.000 -0.004 0.000 0.810 1148 A HN 0.174 nan 8.150 nan 0.000 0.446 1149 K N -0.207 120.191 120.400 -0.003 0.000 2.103 1149 K HA 0.017 4.338 4.320 0.001 0.000 0.204 1149 K C 1.865 178.464 176.600 -0.002 0.000 1.052 1149 K CA 0.855 57.141 56.287 -0.002 0.000 0.945 1149 K CB -0.249 32.250 32.500 -0.002 0.000 0.722 1149 K HN 0.504 nan 8.250 nan 0.000 0.443 1150 L N 0.560 121.781 121.223 -0.002 0.000 2.017 1150 L HA -0.166 4.175 4.340 0.001 0.000 0.208 1150 L C 2.643 179.512 176.870 -0.001 0.000 1.073 1150 L CA 1.411 56.250 54.840 -0.002 0.000 0.745 1150 L CB -0.645 41.413 42.059 -0.002 0.000 0.894 1150 L HN 0.238 nan 8.230 nan 0.000 0.432 1151 A N 0.139 122.958 122.820 -0.002 0.000 1.972 1151 A HA -0.248 4.072 4.320 0.001 0.000 0.219 1151 A C 2.362 179.946 177.584 -0.001 0.000 1.169 1151 A CA 1.883 53.919 52.037 -0.002 0.000 0.635 1151 A CB -0.403 18.596 19.000 -0.002 0.000 0.810 1151 A HN 0.351 nan 8.150 nan 0.000 0.446 1152 K N -0.099 120.300 120.400 -0.001 0.000 2.148 1152 K HA -0.137 4.184 4.320 0.001 0.000 0.204 1152 K C 1.717 178.316 176.600 -0.000 0.000 1.050 1152 K CA 1.585 57.871 56.287 -0.001 0.000 0.942 1152 K CB -0.109 32.391 32.500 -0.001 0.000 0.724 1152 K HN 0.630 nan 8.250 nan 0.000 0.446 1153 E N 0.218 120.418 120.200 -0.000 0.000 2.086 1153 E HA -0.148 4.203 4.350 0.001 0.000 0.190 1153 E C 1.852 178.452 176.600 0.000 0.000 0.975 1153 E CA 0.817 57.217 56.400 -0.000 0.000 0.813 1153 E CB 0.060 29.760 29.700 -0.000 0.000 0.768 1153 E HN 0.223 nan 8.360 nan 0.000 0.457 1154 K N 1.510 121.910 120.400 0.000 0.000 2.044 1154 K HA -0.203 4.117 4.320 0.001 0.000 0.210 1154 K C 2.037 178.637 176.600 0.001 0.000 1.049 1154 K CA 1.628 57.916 56.287 0.001 0.000 0.927 1154 K CB -0.169 32.331 32.500 0.000 0.000 0.713 1154 K HN 0.093 nan 8.250 nan 0.000 0.443 1155 A N 0.743 123.564 122.820 0.001 0.000 1.873 1155 A HA -0.153 4.168 4.320 0.001 0.000 0.215 1155 A C 2.087 179.672 177.584 0.002 0.000 1.186 1155 A CA 1.757 53.795 52.037 0.001 0.000 0.616 1155 A CB -0.728 18.273 19.000 0.001 0.000 0.823 1155 A HN 0.544 nan 8.150 nan 0.000 0.442 1156 E N 0.392 120.593 120.200 0.001 0.000 2.160 1156 E HA -0.214 4.137 4.350 0.001 0.000 0.195 1156 E C 1.908 178.510 176.600 0.002 0.000 0.991 1156 E CA 1.907 58.308 56.400 0.002 0.000 0.810 1156 E CB -0.217 29.484 29.700 0.001 0.000 0.742 1156 E HN 0.648 nan 8.360 nan 0.000 0.466 1157 K N -0.221 120.180 120.400 0.002 0.000 2.137 1157 K HA -0.086 4.234 4.320 0.001 0.000 0.202 1157 K C 1.775 178.377 176.600 0.003 0.000 1.052 1157 K CA 0.856 57.145 56.287 0.003 0.000 0.961 1157 K CB 0.058 32.559 32.500 0.002 0.000 0.741 1157 K HN -0.016 nan 8.250 nan 0.000 0.452 1158 E N 1.468 121.670 120.200 0.003 0.000 2.049 1158 E HA -0.245 4.106 4.350 0.001 0.000 0.198 1158 E C 2.085 178.689 176.600 0.006 0.000 1.007 1158 E CA 1.779 58.181 56.400 0.004 0.000 0.809 1158 E CB -0.254 29.448 29.700 0.004 0.000 0.749 1158 E HN 0.511 nan 8.360 nan 0.000 0.450 1159 R N 0.727 121.230 120.500 0.005 0.000 2.115 1159 R HA 0.016 4.357 4.340 0.001 0.000 0.226 1159 R C 2.518 178.822 176.300 0.007 0.000 1.100 1159 R CA 0.898 57.001 56.100 0.006 0.000 0.980 1159 R CB -0.676 29.627 30.300 0.006 0.000 0.875 1159 R HN 0.126 nan 8.270 nan 0.000 0.445 1160 L N 1.234 122.460 121.223 0.005 0.000 2.093 1160 L HA -0.088 4.252 4.340 0.001 0.000 0.208 1160 L C 2.676 179.550 176.870 0.005 0.000 1.085 1160 L CA 1.627 56.470 54.840 0.005 0.000 0.755 1160 L CB -0.180 41.881 42.059 0.004 0.000 0.904 1160 L HN 0.358 nan 8.230 nan 0.000 0.435 1161 E N -0.105 120.098 120.200 0.006 0.000 2.072 1161 E HA -0.303 4.047 4.350 0.001 0.000 0.191 1161 E C 2.167 178.772 176.600 0.009 0.000 0.985 1161 E CA 1.214 57.618 56.400 0.007 0.000 0.801 1161 E CB 0.006 29.710 29.700 0.006 0.000 0.750 1161 E HN 0.325 nan 8.360 nan 0.000 0.452 1162 K N 0.156 120.563 120.400 0.010 0.000 2.211 1162 K HA -0.219 4.101 4.320 0.001 0.000 0.203 1162 K C 2.154 178.763 176.600 0.014 0.000 1.050 1162 K CA 1.411 57.706 56.287 0.014 0.000 0.945 1162 K CB 0.078 32.587 32.500 0.016 0.000 0.732 1162 K HN -0.003 nan 8.250 nan 0.000 0.451 1163 Q N 0.733 120.539 119.800 0.010 0.000 2.212 1163 Q HA -0.046 4.295 4.340 0.001 0.000 0.199 1163 Q C 1.601 177.605 176.000 0.007 0.000 0.950 1163 Q CA 1.337 57.145 55.803 0.009 0.000 0.863 1163 Q CB 0.194 28.936 28.738 0.007 0.000 0.944 1163 Q HN 0.347 nan 8.270 nan 0.000 0.465 1164 Q N -0.266 119.537 119.800 0.006 0.000 2.224 1164 Q HA -0.093 4.247 4.340 0.001 0.000 0.203 1164 Q C 1.694 177.697 176.000 0.004 0.000 0.970 1164 Q CA 1.110 56.916 55.803 0.004 0.000 0.865 1164 Q CB 0.094 28.834 28.738 0.004 0.000 0.922 1164 Q HN 0.317 nan 8.270 nan 0.000 0.445 1165 K N 0.249 120.653 120.400 0.007 0.000 2.167 1165 K HA -0.024 4.297 4.320 0.001 0.000 0.203 1165 K C 1.973 178.576 176.600 0.005 0.000 1.052 1165 K CA 0.516 56.808 56.287 0.007 0.000 0.956 1165 K CB 0.104 32.612 32.500 0.013 0.000 0.735 1165 K HN 0.058 nan 8.250 nan 0.000 0.451 1166 R N 1.036 121.541 120.500 0.007 0.000 2.115 1166 R HA -0.082 4.258 4.340 0.001 0.000 0.230 1166 R C 1.382 177.680 176.300 -0.003 0.000 1.111 1166 R CA 1.084 57.187 56.100 0.005 0.000 0.976 1166 R CB 0.078 30.385 30.300 0.011 0.000 0.870 1166 R HN 0.238 nan 8.270 nan 0.000 0.445 1167 E N 0.167 120.366 120.200 -0.002 0.000 2.489 1167 E HA -0.070 4.281 4.350 0.001 0.000 0.193 1167 E C 1.157 177.752 176.600 -0.007 0.000 1.057 1167 E CA 0.186 56.584 56.400 -0.004 0.000 0.866 1167 E CB 0.380 30.079 29.700 -0.002 0.000 0.916 1167 E HN 0.367 nan 8.360 nan 0.000 0.500 1168 Q N -0.075 119.721 119.800 -0.008 0.000 2.425 1168 Q HA 0.070 4.410 4.340 0.001 0.000 0.204 1168 Q C 1.788 177.778 176.000 -0.017 0.000 0.933 1168 Q CA 0.200 55.996 55.803 -0.010 0.000 0.939 1168 Q CB 0.380 29.113 28.738 -0.008 0.000 1.044 1168 Q HN 0.319 nan 8.270 nan 0.000 0.513 1169 L N -0.265 120.945 121.223 -0.021 0.000 2.127 1169 L HA 0.071 4.411 4.340 0.001 0.000 0.203 1169 L C 0.527 177.382 176.870 -0.025 0.000 1.080 1169 L CA 0.774 55.596 54.840 -0.030 0.000 0.768 1169 L CB 0.590 42.625 42.059 -0.039 0.000 0.924 1169 L HN 0.137 nan 8.230 nan 0.000 0.444 1170 I N -0.896 119.663 120.570 -0.019 0.000 2.731 1170 I HA 0.120 4.291 4.170 0.001 0.000 0.289 1170 I C -1.683 174.428 176.117 -0.011 0.000 1.399 1170 I CA -0.511 60.779 61.300 -0.016 0.000 1.048 1170 I CB 2.051 40.041 38.000 -0.017 0.000 1.345 1170 I HN -0.149 nan 8.210 nan 0.000 0.425 1171 D N 6.915 127.310 120.400 -0.009 0.000 2.460 1171 D HA 0.316 4.957 4.640 0.001 0.000 0.232 1171 D C 0.512 176.809 176.300 -0.006 0.000 1.079 1171 D CA -0.375 53.621 54.000 -0.007 0.000 0.864 1171 D CB 0.937 41.733 40.800 -0.006 0.000 1.048 1171 D HN 0.213 nan 8.370 nan 0.000 0.523 1172 M N 3.020 122.616 119.600 -0.006 0.000 2.964 1172 M HA 0.066 4.547 4.480 0.001 0.000 0.195 1172 M C -0.223 176.074 176.300 -0.004 0.000 1.214 1172 M CA 0.536 55.833 55.300 -0.005 0.000 1.151 1172 M CB -1.322 31.275 32.600 -0.004 0.000 1.747 1172 M HN 0.381 nan 8.290 nan 0.000 0.438 1173 N N -1.520 117.177 118.700 -0.004 0.000 1.952 1173 N HA 0.176 4.916 4.740 0.001 0.000 0.231 1173 N C 1.214 176.721 175.510 -0.004 0.000 1.378 1173 N CA 0.363 53.411 53.050 -0.003 0.000 0.828 1173 N CB 0.240 38.726 38.487 -0.003 0.000 1.097 1173 N HN 0.246 nan 8.380 nan 0.000 0.476 1174 A N 1.247 124.065 122.820 -0.004 0.000 1.935 1174 A HA 0.085 4.405 4.320 0.001 0.000 0.211 1174 A C 0.578 178.160 177.584 -0.004 0.000 1.388 1174 A CA 0.921 52.955 52.037 -0.004 0.000 0.600 1174 A CB -0.379 18.619 19.000 -0.005 0.000 1.011 1174 A HN 0.225 nan 8.150 nan 0.000 0.481 1175 E N -1.260 118.938 120.200 -0.004 0.000 2.183 1175 E HA 0.490 4.840 4.350 0.001 0.000 0.271 1175 E C 0.283 176.880 176.600 -0.005 0.000 0.919 1175 E CA -0.053 56.344 56.400 -0.004 0.000 0.781 1175 E CB 1.601 31.298 29.700 -0.004 0.000 1.140 1175 E HN 0.364 nan 8.360 nan 0.000 0.402 1176 G N 3.211 112.009 108.800 -0.004 0.000 3.126 1176 G HA2 -0.042 3.919 3.960 0.001 0.000 0.224 1176 G HA3 -0.042 3.919 3.960 0.001 0.000 0.224 1176 G C 0.430 175.327 174.900 -0.004 0.000 1.142 1176 G CA -0.073 45.025 45.100 -0.004 0.000 0.759 1176 G HN 0.515 nan 8.290 nan 0.000 0.550 1177 D N 0.964 121.361 120.400 -0.004 0.000 2.363 1177 D HA 0.027 4.667 4.640 0.001 0.000 0.220 1177 D C 0.740 177.037 176.300 -0.005 0.000 0.994 1177 D CA 0.316 54.314 54.000 -0.004 0.000 0.890 1177 D CB 0.304 41.102 40.800 -0.004 0.000 0.906 1177 D HN 0.443 nan 8.370 nan 0.000 0.530 1178 E N 0.594 120.791 120.200 -0.005 0.000 2.257 1178 E HA 0.185 4.536 4.350 0.001 0.000 0.278 1178 E C 0.501 177.097 176.600 -0.006 0.000 1.049 1178 E CA -0.083 56.313 56.400 -0.006 0.000 0.876 1178 E CB 1.045 30.741 29.700 -0.007 0.000 1.035 1178 E HN -0.033 nan 8.360 nan 0.000 0.419 1179 T N 0.308 114.858 114.554 -0.006 0.000 2.944 1179 T HA 0.519 4.870 4.350 0.001 0.000 0.284 1179 T C 0.962 175.657 174.700 -0.008 0.000 1.010 1179 T CA 0.171 62.267 62.100 -0.007 0.000 1.025 1179 T CB 1.329 70.194 68.868 -0.006 0.000 1.079 1179 T HN 0.685 nan 8.240 nan 0.000 0.516 1180 G N 0.850 109.645 108.800 -0.009 0.000 2.141 1180 G HA2 -0.261 3.699 3.960 0.001 0.000 0.242 1180 G HA3 -0.261 3.699 3.960 0.001 0.000 0.242 1180 G C 0.860 175.752 174.900 -0.013 0.000 0.982 1180 G CA 0.282 45.376 45.100 -0.011 0.000 0.662 1180 G HN 0.962 nan 8.290 nan 0.000 0.527 1181 V N 0.239 120.145 119.914 -0.013 0.000 2.282 1181 V HA -0.262 3.858 4.120 0.001 0.000 0.249 1181 V C 2.664 178.747 176.094 -0.018 0.000 1.057 1181 V CA 3.088 65.379 62.300 -0.015 0.000 1.032 1181 V CB -0.362 31.453 31.823 -0.013 0.000 0.645 1181 V HN 0.662 nan 8.190 nan 0.000 0.447 1182 M N -0.321 119.269 119.600 -0.016 0.000 2.506 1182 M HA 0.020 4.500 4.480 0.001 0.000 0.260 1182 M C 1.350 177.638 176.300 -0.020 0.000 1.104 1182 M CA 1.421 56.710 55.300 -0.018 0.000 1.112 1182 M CB -0.405 32.187 32.600 -0.013 0.000 1.401 1182 M HN 0.214 nan 8.290 nan 0.000 0.473 1183 D N -0.524 119.865 120.400 -0.018 0.000 2.194 1183 D HA -0.028 4.613 4.640 0.001 0.000 0.204 1183 D C 1.875 178.161 176.300 -0.024 0.000 0.964 1183 D CA 1.087 55.076 54.000 -0.018 0.000 0.846 1183 D CB -0.064 40.727 40.800 -0.014 0.000 0.962 1183 D HN 0.351 nan 8.370 nan 0.000 0.490 1184 S N 0.621 116.306 115.700 -0.025 0.000 2.348 1184 S HA -0.082 4.388 4.470 0.001 0.000 0.221 1184 S C 2.204 176.778 174.600 -0.043 0.000 1.033 1184 S CA 0.590 58.772 58.200 -0.031 0.000 1.010 1184 S CB -0.261 62.923 63.200 -0.028 0.000 0.891 1184 S HN 0.238 nan 8.310 nan 0.000 0.442 1185 L N 1.083 122.279 121.223 -0.045 0.000 2.042 1185 L HA -0.150 4.191 4.340 0.001 0.000 0.210 1185 L C 2.220 179.048 176.870 -0.071 0.000 1.076 1185 L CA 1.208 56.011 54.840 -0.061 0.000 0.749 1185 L CB -0.633 41.395 42.059 -0.050 0.000 0.893 1185 L HN 0.311 nan 8.230 nan 0.000 0.432 1186 L N -0.755 120.438 121.223 -0.050 0.000 2.201 1186 L HA -0.170 4.171 4.340 0.001 0.000 0.212 1186 L C 2.344 179.185 176.870 -0.048 0.000 1.105 1186 L CA 1.014 55.827 54.840 -0.046 0.000 0.775 1186 L CB -0.448 41.595 42.059 -0.027 0.000 0.913 1186 L HN 0.290 nan 8.230 nan 0.000 0.440 1187 E N 0.325 120.498 120.200 -0.045 0.000 2.152 1187 E HA -0.122 4.228 4.350 0.001 0.000 0.192 1187 E C 2.337 178.902 176.600 -0.058 0.000 0.983 1187 E CA 0.903 57.279 56.400 -0.040 0.000 0.818 1187 E CB -0.094 29.587 29.700 -0.030 0.000 0.758 1187 E HN 0.472 nan 8.360 nan 0.000 0.467 1188 A N 1.281 124.051 122.820 -0.084 0.000 1.858 1188 A HA -0.172 4.149 4.320 0.001 0.000 0.216 1188 A C 2.187 179.658 177.584 -0.189 0.000 1.190 1188 A CA 1.116 53.077 52.037 -0.126 0.000 0.617 1188 A CB -0.746 18.167 19.000 -0.145 0.000 0.827 1188 A HN 0.141 nan 8.150 nan 0.000 0.443 1189 L N -0.794 120.302 121.223 -0.213 0.000 2.042 1189 L HA -0.266 4.074 4.340 0.001 0.000 0.210 1189 L C 2.882 179.702 176.870 -0.084 0.000 1.076 1189 L CA 1.893 56.585 54.840 -0.246 0.000 0.749 1189 L CB -0.476 41.491 42.059 -0.153 0.000 0.893 1189 L HN 0.634 nan 8.230 nan 0.000 0.432 1190 Q N -0.010 119.760 119.800 -0.049 0.000 2.224 1190 Q HA -0.165 4.175 4.340 0.001 0.000 0.203 1190 Q C 2.100 178.104 176.000 0.007 0.000 0.970 1190 Q CA 1.933 57.732 55.803 -0.006 0.000 0.865 1190 Q CB 0.042 28.773 28.738 -0.011 0.000 0.922 1190 Q HN 0.540 nan 8.270 nan 0.000 0.445 1191 S N -2.855 112.839 115.700 -0.009 0.000 2.499 1191 S HA 0.430 4.901 4.470 0.001 0.000 0.225 1191 S C 1.489 176.107 174.600 0.030 0.000 1.050 1191 S CA 0.328 58.531 58.200 0.006 0.000 0.928 1191 S CB 0.787 63.981 63.200 -0.009 0.000 0.803 1191 S HN 0.651 nan 8.310 nan 0.000 0.506 1192 G N 0.781 109.595 108.800 0.023 0.000 2.380 1192 G HA2 -0.100 3.861 3.960 0.001 0.000 0.197 1192 G HA3 -0.100 3.861 3.960 0.001 0.000 0.197 1192 G C 1.181 176.097 174.900 0.027 0.000 1.001 1192 G CA 0.167 45.329 45.100 0.103 0.000 0.668 1192 G HN 1.068 nan 8.290 nan 0.000 0.483 1193 A N 1.085 123.884 122.820 -0.036 0.000 1.958 1193 A HA 0.247 4.567 4.320 0.001 0.000 0.221 1193 A C 2.740 180.253 177.584 -0.118 0.000 1.178 1193 A CA 2.914 54.920 52.037 -0.052 0.000 0.642 1193 A CB -0.859 18.109 19.000 -0.054 0.000 0.816 1193 A HN 1.829 nan 8.150 nan 0.000 0.453 1194 A N -1.962 120.687 122.820 -0.285 0.000 2.178 1194 A HA 0.275 4.596 4.320 0.001 0.000 0.218 1194 A C 0.661 178.000 177.584 -0.409 0.000 1.157 1194 A CA 0.674 52.451 52.037 -0.434 0.000 0.689 1194 A CB -0.417 18.179 19.000 -0.673 0.000 0.787 1194 A HN 0.357 nan 8.150 nan 0.000 0.465 1195 F N 0.000 119.950 119.950 -0.001 0.000 2.286 1195 F HA 0.000 4.528 4.527 0.001 0.000 0.279 1195 F CA 0.000 58.000 58.000 -0.001 0.000 1.383 1195 F CB 0.000 39.000 39.000 -0.001 0.000 1.145 1195 F HN 0.000 nan 8.300 nan 0.000 0.574