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 3pdi_1_B DATA FIRST_RESID 4 DATA SEQUENCE IINRNKALAV SPLKASQTMG AALAILGLAR SMPLFHGSQG CTAFAKVFFV DATA SEQUENCE RHFREPVPLQ TTAMDQVSSV MGADENVVEA LKTICERQNP SVIGLLTTGL DATA SEQUENCE SETQGCDLHT ALHEFRTQYE EYKDVPIVPV NTPDFSGCFE SGFAAAVKAI DATA SEQUENCE VETLVPERRD QVGKRPRQVN VLCSANLTPG DLEYIAESIE SFGLRPLLIP DATA SEQUENCE DLSGSLDGHL DENRFNALTT GGLSVAELAT AGQSVATLVV GQSLAGAADA DATA SEQUENCE LAERTGVPDR RFGMLYGLDA VDAWLMALAE ISGNPVPDRY KRQRAQLQDA DATA SEQUENCE MLDTHFMLSS ARTAIAADPD LLLGFDALLR SMGAHTVAAV VPARAAALVD DATA SEQUENCE SPLPSVRVGD LEDLEHAARA GQAQLVIGNS HALASARRLG VPLLRAGFPQ DATA SEQUENCE YDLLGGFQRC WSGYRGSSQV LFDLANLLVE HH 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.122 176.117 0.009 0.000 1.063 4 I CA 0.000 61.305 61.300 0.008 0.000 1.566 4 I CB 0.000 38.005 38.000 0.008 0.000 1.214 5 I N 1.882 122.457 120.570 0.010 0.000 2.337 5 I HA 0.821 4.993 4.170 0.003 0.000 0.291 5 I C 0.354 176.477 176.117 0.011 0.000 1.046 5 I CA -0.152 61.155 61.300 0.011 0.000 1.324 5 I CB 0.057 38.064 38.000 0.012 0.000 1.409 5 I HN 2.197 nan 8.210 nan 0.000 0.494 6 N N 3.750 122.458 118.700 0.012 0.000 2.498 6 N HA 0.961 5.703 4.740 0.003 0.000 0.287 6 N C 0.099 175.617 175.510 0.013 0.000 1.097 6 N CA 0.301 53.358 53.050 0.012 0.000 0.973 6 N CB 0.881 39.375 38.487 0.012 0.000 1.153 6 N HN 1.654 nan 8.380 nan 0.000 0.472 7 R N -1.540 118.967 120.500 0.012 0.000 2.947 7 R HA 0.937 5.278 4.340 0.003 0.000 0.253 7 R C 0.647 176.953 176.300 0.011 0.000 1.208 7 R CA 0.600 56.707 56.100 0.012 0.000 1.012 7 R CB -0.217 30.090 30.300 0.013 0.000 1.267 7 R HN 1.536 nan 8.270 nan 0.000 0.473 8 N N -2.299 116.407 118.700 0.011 0.000 2.584 8 N HA 0.597 5.338 4.740 0.003 0.000 0.318 8 N C 0.619 176.133 175.510 0.007 0.000 0.669 8 N CA 1.737 54.792 53.050 0.009 0.000 1.248 8 N CB -0.169 38.324 38.487 0.010 0.000 1.659 8 N HN 2.272 nan 8.380 nan 0.000 1.460 9 K N -2.482 117.922 120.400 0.008 0.000 10.751 9 K HA 0.660 4.982 4.320 0.003 0.000 1.182 9 K C 0.275 176.879 176.600 0.006 0.000 2.378 9 K CA 0.783 57.074 56.287 0.005 0.000 0.730 9 K CB -1.572 30.929 32.500 0.002 0.000 1.302 9 K HN 2.141 nan 8.250 nan 0.000 0.443 10 A N -0.792 122.031 122.820 0.004 0.000 2.533 10 A HA 0.594 4.916 4.320 0.003 0.000 0.180 10 A C 0.243 177.827 177.584 0.000 0.000 1.566 10 A CA 1.162 53.199 52.037 0.001 0.000 1.153 10 A CB 0.267 19.266 19.000 -0.001 0.000 1.462 10 A HN 2.143 nan 8.150 nan 0.000 0.523 11 L N 0.588 121.812 121.223 0.002 0.000 2.341 11 L HA 0.868 5.209 4.340 0.003 0.000 0.278 11 L C -0.268 176.602 176.870 0.001 0.000 1.005 11 L CA -0.432 54.408 54.840 -0.000 0.000 0.818 11 L CB 1.671 43.730 42.059 0.001 0.000 1.259 11 L HN 0.248 nan 8.230 nan 0.000 0.418 12 A N 5.241 128.057 122.820 -0.005 0.000 2.252 12 A HA 0.654 4.976 4.320 0.003 0.000 0.309 12 A C -0.864 176.710 177.584 -0.016 0.000 1.285 12 A CA -0.484 51.548 52.037 -0.009 0.000 0.900 12 A CB 0.602 19.594 19.000 -0.014 0.000 1.157 12 A HN 0.533 nan 8.150 nan 0.000 0.536 13 V N 2.917 122.825 119.914 -0.011 0.000 2.328 13 V HA 0.328 4.449 4.120 0.003 0.000 0.278 13 V C 0.267 176.340 176.094 -0.034 0.000 1.021 13 V CA 0.025 62.316 62.300 -0.016 0.000 0.838 13 V CB 0.492 32.318 31.823 0.006 0.000 0.999 13 V HN 1.184 nan 8.190 nan 0.000 0.447 14 S N 5.724 121.391 115.700 -0.056 0.000 3.477 14 S HA -0.102 4.370 4.470 0.003 0.000 0.426 14 S C -1.869 172.675 174.600 -0.093 0.000 0.874 14 S CA -0.280 57.867 58.200 -0.090 0.000 1.341 14 S CB -1.254 61.907 63.200 -0.066 0.000 0.917 14 S HN 0.759 nan 8.310 nan 0.000 0.607 15 P HA 0.105 nan 4.420 nan 0.000 0.265 15 P C 0.940 178.205 177.300 -0.058 0.000 1.193 15 P CA -0.456 62.603 63.100 -0.069 0.000 0.765 15 P CB 0.687 32.345 31.700 -0.070 0.000 0.823 16 L N 3.345 124.557 121.223 -0.017 0.000 2.156 16 L HA 0.055 4.396 4.340 0.003 0.000 0.208 16 L C 1.041 177.928 176.870 0.029 0.000 1.095 16 L CA 1.610 56.460 54.840 0.015 0.000 0.770 16 L CB -0.817 41.252 42.059 0.017 0.000 0.914 16 L HN 0.297 nan 8.230 nan 0.000 0.439 17 K N 0.085 120.492 120.400 0.012 0.000 2.185 17 K HA 0.545 4.867 4.320 0.003 0.000 0.271 17 K C -0.607 175.992 176.600 -0.001 0.000 1.013 17 K CA 0.115 56.413 56.287 0.019 0.000 0.943 17 K CB 0.993 33.502 32.500 0.016 0.000 0.998 17 K HN 0.256 nan 8.250 nan 0.000 0.468 18 A N 1.366 124.191 122.820 0.009 0.000 2.387 18 A HA 0.451 4.773 4.320 0.003 0.000 0.303 18 A C -0.815 176.775 177.584 0.011 0.000 1.145 18 A CA -0.766 51.240 52.037 -0.052 0.000 0.801 18 A CB 1.131 20.023 19.000 -0.178 0.000 1.342 18 A HN 0.757 nan 8.150 nan 0.000 0.440 19 S N -0.046 115.622 115.700 -0.054 0.000 2.548 19 S HA 0.184 4.655 4.470 0.003 0.000 0.277 19 S C 0.902 175.457 174.600 -0.075 0.000 1.315 19 S CA 0.370 58.526 58.200 -0.074 0.000 1.050 19 S CB 1.100 64.222 63.200 -0.131 0.000 0.918 19 S HN 0.863 nan 8.310 nan 0.000 0.497 20 Q N 2.000 121.742 119.800 -0.096 0.000 2.165 20 Q HA -0.277 4.064 4.340 0.003 0.000 0.215 20 Q C 2.025 177.913 176.000 -0.186 0.000 1.010 20 Q CA 2.614 58.335 55.803 -0.136 0.000 0.896 20 Q CB -0.796 27.854 28.738 -0.146 0.000 0.956 20 Q HN 1.008 nan 8.270 nan 0.000 0.413 21 T N -1.599 112.816 114.554 -0.231 0.000 3.072 21 T HA -0.034 4.318 4.350 0.003 0.000 0.266 21 T C 1.613 176.223 174.700 -0.150 0.000 1.127 21 T CA 0.934 62.847 62.100 -0.312 0.000 1.107 21 T CB -0.051 68.450 68.868 -0.612 0.000 0.910 21 T HN 0.303 nan 8.240 nan 0.000 0.513 22 M N 0.269 119.836 119.600 -0.055 0.000 2.216 22 M HA 0.181 4.663 4.480 0.003 0.000 0.264 22 M C 2.751 179.048 176.300 -0.004 0.000 1.080 22 M CA 1.464 56.841 55.300 0.127 0.000 1.153 22 M CB -0.694 31.884 32.600 -0.036 0.000 1.356 22 M HN 0.485 nan 8.290 nan 0.000 0.432 23 G N 0.227 108.704 108.800 -0.538 0.000 2.446 23 G HA2 -0.183 3.779 3.960 0.003 0.000 0.217 23 G HA3 -0.183 3.779 3.960 0.003 0.000 0.217 23 G C 1.543 176.313 174.900 -0.217 0.000 1.168 23 G CA 1.024 45.526 45.100 -0.997 0.000 0.771 23 G HN 0.534 nan 8.290 nan 0.000 0.551 24 A N 0.853 123.589 122.820 -0.140 0.000 2.076 24 A HA 0.256 4.578 4.320 0.003 0.000 0.220 24 A C 2.664 180.259 177.584 0.018 0.000 1.160 24 A CA 2.146 54.136 52.037 -0.079 0.000 0.653 24 A CB -0.466 18.477 19.000 -0.094 0.000 0.801 24 A HN 0.777 nan 8.150 nan 0.000 0.455 25 A N -0.153 122.744 122.820 0.129 0.000 2.016 25 A HA 0.187 4.509 4.320 0.003 0.000 0.217 25 A C 1.862 179.516 177.584 0.116 0.000 1.162 25 A CA 1.307 53.473 52.037 0.214 0.000 0.662 25 A CB -0.374 18.882 19.000 0.427 0.000 0.812 25 A HN 0.949 nan 8.150 nan 0.000 0.450 26 L N -2.339 118.932 121.223 0.081 0.000 2.418 26 L HA 0.379 4.721 4.340 0.003 0.000 0.218 26 L C 2.007 178.976 176.870 0.165 0.000 1.125 26 L CA 1.277 56.085 54.840 -0.052 0.000 0.835 26 L CB -1.772 40.078 42.059 -0.348 0.000 0.953 26 L HN 0.156 nan 8.230 nan 0.000 0.454 27 A N 1.665 124.644 122.820 0.266 0.000 1.858 27 A HA -0.154 4.167 4.320 0.003 0.000 0.216 27 A C 2.275 179.839 177.584 -0.033 0.000 1.190 27 A CA 2.100 54.154 52.037 0.028 0.000 0.617 27 A CB -0.949 17.644 19.000 -0.679 0.000 0.827 27 A HN 0.622 nan 8.150 nan 0.000 0.443 28 I N -1.031 119.513 120.570 -0.043 0.000 2.208 28 I HA -0.237 3.934 4.170 0.003 0.000 0.245 28 I C 1.900 178.004 176.117 -0.021 0.000 1.097 28 I CA 1.697 62.979 61.300 -0.030 0.000 1.363 28 I CB -0.426 37.565 38.000 -0.016 0.000 1.051 28 I HN 0.260 nan 8.210 nan 0.000 0.413 29 L N 0.924 122.132 121.223 -0.024 0.000 2.450 29 L HA -0.140 4.202 4.340 0.003 0.000 0.225 29 L C 2.165 178.999 176.870 -0.059 0.000 1.145 29 L CA 1.167 55.971 54.840 -0.062 0.000 0.801 29 L CB -0.978 41.000 42.059 -0.135 0.000 0.924 29 L HN 0.645 nan 8.230 nan 0.000 0.447 30 G N -1.471 107.320 108.800 -0.014 0.000 3.159 30 G HA2 0.204 4.166 3.960 0.003 0.000 0.232 30 G HA3 0.204 4.166 3.960 0.003 0.000 0.232 30 G C 0.342 175.240 174.900 -0.003 0.000 1.116 30 G CA -0.350 44.753 45.100 0.005 0.000 0.767 30 G HN -0.039 nan 8.290 nan 0.000 0.547 31 L N 1.515 122.729 121.223 -0.015 0.000 2.395 31 L HA 0.639 4.980 4.340 0.003 0.000 0.269 31 L C 0.841 177.697 176.870 -0.022 0.000 1.133 31 L CA -1.136 53.694 54.840 -0.018 0.000 0.812 31 L CB 1.006 43.054 42.059 -0.019 0.000 1.125 31 L HN 0.081 nan 8.230 nan 0.000 0.452 32 A N 2.829 125.637 122.820 -0.020 0.000 2.322 32 A HA 0.446 4.768 4.320 0.003 0.000 0.269 32 A C 0.663 178.239 177.584 -0.013 0.000 1.094 32 A CA -0.417 51.606 52.037 -0.023 0.000 0.807 32 A CB -0.086 18.899 19.000 -0.025 0.000 1.047 32 A HN 0.743 nan 8.150 nan 0.000 0.487 33 R N -0.580 119.915 120.500 -0.008 0.000 3.225 33 R HA -0.168 4.173 4.340 0.003 0.000 0.245 33 R C 0.173 176.472 176.300 -0.001 0.000 0.928 33 R CA 0.909 57.011 56.100 0.003 0.000 0.632 33 R CB -1.906 28.398 30.300 0.008 0.000 1.038 33 R HN 1.100 nan 8.270 nan 0.000 0.461 34 S N -0.329 115.366 115.700 -0.007 0.000 2.715 34 S HA 0.820 5.292 4.470 0.003 0.000 0.307 34 S C -0.365 174.226 174.600 -0.015 0.000 1.119 34 S CA -1.000 57.193 58.200 -0.012 0.000 0.937 34 S CB 2.524 65.714 63.200 -0.016 0.000 1.150 34 S HN 0.292 nan 8.310 nan 0.000 0.521 35 M N 1.131 120.720 119.600 -0.019 0.000 2.221 35 M HA 0.541 5.023 4.480 0.003 0.000 0.259 35 M C -3.234 173.052 176.300 -0.023 0.000 1.001 35 M CA -1.259 54.026 55.300 -0.025 0.000 1.009 35 M CB 1.940 34.520 32.600 -0.032 0.000 1.939 35 M HN 0.397 nan 8.290 nan 0.000 0.477 36 P HA 0.451 nan 4.420 nan 0.000 0.279 36 P C -1.614 175.682 177.300 -0.007 0.000 1.239 36 P CA -0.440 62.664 63.100 0.007 0.000 0.789 36 P CB 0.966 32.680 31.700 0.023 0.000 0.933 37 L N 3.970 125.229 121.223 0.060 0.000 2.406 37 L HA 0.501 4.842 4.340 0.003 0.000 0.270 37 L C -1.374 175.650 176.870 0.256 0.000 0.982 37 L CA -0.565 54.319 54.840 0.075 0.000 0.843 37 L CB 0.367 42.434 42.059 0.013 0.000 1.225 37 L HN 0.076 nan 8.230 nan 0.000 0.412 38 F N 3.867 123.831 119.950 0.023 0.000 2.467 38 F HA 0.207 4.736 4.527 0.003 0.000 0.362 38 F C 0.875 176.723 175.800 0.079 0.000 1.090 38 F CA -0.178 57.843 58.000 0.036 0.000 1.202 38 F CB 0.210 39.224 39.000 0.023 0.000 1.113 38 F HN 0.510 nan 8.300 nan 0.000 0.541 39 H N 3.086 122.218 119.070 0.103 0.000 2.872 39 H HA 0.515 5.073 4.556 0.002 0.000 0.273 39 H C 0.156 175.498 175.328 0.023 0.000 1.205 39 H CA 0.023 56.095 56.048 0.040 0.000 1.342 39 H CB -0.183 29.581 29.762 0.003 0.000 1.469 39 H HN 0.810 nan 8.280 nan 0.000 0.487 40 G N 2.225 110.974 108.800 -0.086 0.000 2.340 40 G HA2 0.045 4.006 3.960 0.003 0.000 0.299 40 G HA3 0.045 4.006 3.960 0.003 0.000 0.299 40 G C -1.368 173.520 174.900 -0.020 0.000 1.291 40 G CA -0.679 44.356 45.100 -0.109 0.000 0.841 40 G HN 0.464 nan 8.290 nan 0.000 0.500 41 S N -1.102 114.594 115.700 -0.007 0.000 2.624 41 S HA 0.265 4.737 4.470 0.003 0.000 0.263 41 S C 1.886 176.506 174.600 0.032 0.000 1.287 41 S CA 0.639 58.844 58.200 0.008 0.000 0.990 41 S CB 1.123 64.323 63.200 0.001 0.000 0.950 41 S HN 0.756 nan 8.310 nan 0.000 0.561 42 Q N 1.431 121.234 119.800 0.004 0.000 2.167 42 Q HA 0.012 4.353 4.340 0.003 0.000 0.202 42 Q C 1.884 177.856 176.000 -0.047 0.000 0.970 42 Q CA 1.529 57.325 55.803 -0.012 0.000 0.855 42 Q CB -0.875 27.842 28.738 -0.035 0.000 0.911 42 Q HN 0.783 nan 8.270 nan 0.000 0.438 43 G N 1.100 109.849 108.800 -0.086 0.000 2.442 43 G HA2 -0.279 3.682 3.960 0.003 0.000 0.219 43 G HA3 -0.279 3.682 3.960 0.003 0.000 0.219 43 G C 1.436 176.281 174.900 -0.092 0.000 1.141 43 G CA 0.936 45.901 45.100 -0.226 0.000 0.763 43 G HN 0.496 nan 8.290 nan 0.000 0.554 44 C N 0.987 120.351 119.300 0.107 0.000 2.403 44 C HA -0.101 4.361 4.460 0.003 0.000 0.277 44 C C 3.423 178.633 174.990 0.367 0.000 1.248 44 C CA 2.031 61.215 59.018 0.277 0.000 1.762 44 C CB -1.038 26.850 27.740 0.247 0.000 2.014 44 C HN 0.685 nan 8.230 nan 0.000 0.486 45 T N -0.997 113.677 114.554 0.200 0.000 2.937 45 T HA 0.105 4.456 4.350 0.003 0.000 0.260 45 T C 1.927 176.603 174.700 -0.040 0.000 1.051 45 T CA 1.216 63.279 62.100 -0.062 0.000 1.141 45 T CB -0.437 68.318 68.868 -0.188 0.000 0.879 45 T HN 0.443 nan 8.240 nan 0.000 0.459 46 A N 0.444 123.229 122.820 -0.059 0.000 2.019 46 A HA 0.172 4.494 4.320 0.003 0.000 0.219 46 A C 1.907 179.482 177.584 -0.015 0.000 1.164 46 A CA 0.886 52.865 52.037 -0.096 0.000 0.644 46 A CB -0.964 17.913 19.000 -0.203 0.000 0.805 46 A HN 0.460 nan 8.150 nan 0.000 0.449 47 F N -0.210 119.768 119.950 0.046 0.000 2.149 47 F HA 0.113 4.641 4.527 0.002 0.000 0.294 47 F C 2.761 178.598 175.800 0.061 0.000 1.095 47 F CA 0.264 58.298 58.000 0.057 0.000 1.276 47 F CB -1.016 38.015 39.000 0.052 0.000 1.023 47 F HN 0.241 nan 8.300 nan 0.000 0.480 48 A N -0.375 122.592 122.820 0.246 0.000 1.972 48 A HA -0.213 4.108 4.320 0.003 0.000 0.219 48 A C 2.305 179.963 177.584 0.122 0.000 1.169 48 A CA 1.723 53.818 52.037 0.097 0.000 0.635 48 A CB -0.713 18.364 19.000 0.128 0.000 0.810 48 A HN 0.326 nan 8.150 nan 0.000 0.446 49 K N -0.381 120.101 120.400 0.137 0.000 2.001 49 K HA -0.083 4.239 4.320 0.003 0.000 0.208 49 K C 1.893 178.629 176.600 0.228 0.000 1.048 49 K CA 1.557 57.950 56.287 0.177 0.000 0.932 49 K CB -0.325 32.224 32.500 0.081 0.000 0.715 49 K HN 0.209 nan 8.250 nan 0.000 0.437 50 V N 1.365 121.401 119.914 0.203 0.000 2.282 50 V HA -0.273 3.849 4.120 0.003 0.000 0.249 50 V C 2.056 178.285 176.094 0.226 0.000 1.057 50 V CA 2.107 64.525 62.300 0.196 0.000 1.032 50 V CB -0.572 31.372 31.823 0.202 0.000 0.645 50 V HN 0.352 nan 8.190 nan 0.000 0.447 51 F N 0.197 120.185 119.950 0.063 0.000 2.043 51 F HA -0.284 4.245 4.527 0.003 0.000 0.297 51 F C 2.075 177.940 175.800 0.109 0.000 1.118 51 F CA 2.210 60.215 58.000 0.007 0.000 1.202 51 F CB -0.454 38.443 39.000 -0.171 0.000 0.965 51 F HN 0.140 nan 8.300 nan 0.000 0.482 52 F N 0.299 120.535 119.950 0.476 0.000 2.075 52 F HA -0.153 4.375 4.527 0.002 0.000 0.297 52 F C 2.699 178.674 175.800 0.293 0.000 1.113 52 F CA 1.566 59.819 58.000 0.421 0.000 1.218 52 F CB -1.691 37.619 39.000 0.518 0.000 0.984 52 F HN 0.045 nan 8.300 nan 0.000 0.472 53 V N 0.321 120.479 119.914 0.408 0.000 2.332 53 V HA -0.280 3.842 4.120 0.003 0.000 0.248 53 V C 2.403 178.597 176.094 0.168 0.000 1.055 53 V CA 2.039 64.493 62.300 0.256 0.000 1.038 53 V CB -0.639 31.283 31.823 0.164 0.000 0.651 53 V HN 0.332 nan 8.190 nan 0.000 0.450 54 R N -1.240 119.339 120.500 0.130 0.000 2.159 54 R HA -0.177 4.165 4.340 0.003 0.000 0.237 54 R C 2.273 178.602 176.300 0.048 0.000 1.131 54 R CA 1.900 58.046 56.100 0.076 0.000 0.982 54 R CB -0.418 29.909 30.300 0.045 0.000 0.868 54 R HN 0.857 nan 8.270 nan 0.000 0.453 55 H N -0.829 118.183 119.070 -0.097 0.000 2.266 55 H HA -0.052 4.505 4.556 0.003 0.000 0.308 55 H C 1.342 176.485 175.328 -0.308 0.000 1.057 55 H CA 1.940 57.824 56.048 -0.273 0.000 1.330 55 H CB -0.119 29.363 29.762 -0.466 0.000 1.400 55 H HN 0.033 nan 8.280 nan 0.000 0.503 56 F N 0.381 120.357 119.950 0.043 0.000 2.502 56 F HA 0.123 4.651 4.527 0.002 0.000 0.298 56 F C 0.858 176.345 175.800 -0.521 0.000 1.111 56 F CA 0.781 58.418 58.000 -0.606 0.000 1.445 56 F CB -0.186 38.555 39.000 -0.431 0.000 1.081 56 F HN 0.057 nan 8.300 nan 0.000 0.558 57 R N 0.799 121.290 120.500 -0.015 0.000 3.264 57 R HA -0.202 4.139 4.340 0.003 0.000 0.251 57 R C -0.890 175.426 176.300 0.028 0.000 0.971 57 R CA 0.365 56.486 56.100 0.034 0.000 0.658 57 R CB -1.815 28.529 30.300 0.072 0.000 1.095 57 R HN 0.260 nan 8.270 nan 0.000 0.443 58 E N -0.831 119.398 120.200 0.048 0.000 2.423 58 E HA 0.400 4.752 4.350 0.003 0.000 0.280 58 E C -2.604 174.025 176.600 0.048 0.000 1.030 58 E CA -1.730 54.694 56.400 0.040 0.000 0.812 58 E CB 1.556 31.264 29.700 0.014 0.000 1.313 58 E HN -0.098 nan 8.360 nan 0.000 0.456 59 P HA 0.302 nan 4.420 nan 0.000 0.274 59 P C -0.842 176.470 177.300 0.019 0.000 1.237 59 P CA -0.364 62.727 63.100 -0.014 0.000 0.793 59 P CB 0.715 32.341 31.700 -0.122 0.000 0.977 60 V N 2.475 122.415 119.914 0.044 0.000 2.623 60 V HA 0.320 4.441 4.120 0.003 0.000 0.304 60 V C -2.263 173.847 176.094 0.027 0.000 1.054 60 V CA -1.640 60.692 62.300 0.053 0.000 0.882 60 V CB 1.866 33.777 31.823 0.148 0.000 1.002 60 V HN 0.597 nan 8.190 nan 0.000 0.424 61 P HA 0.524 nan 4.420 nan 0.000 0.282 61 P C -1.300 175.981 177.300 -0.032 0.000 1.262 61 P CA -0.255 62.833 63.100 -0.019 0.000 0.773 61 P CB 1.802 33.491 31.700 -0.019 0.000 0.879 62 L N 2.716 123.903 121.223 -0.061 0.000 2.705 62 L HA 0.335 4.676 4.340 0.003 0.000 0.260 62 L C -0.977 175.815 176.870 -0.131 0.000 0.921 62 L CA -0.248 54.515 54.840 -0.128 0.000 0.948 62 L CB 1.882 43.841 42.059 -0.166 0.000 1.427 62 L HN 0.362 nan 8.230 nan 0.000 0.432 63 Q N 1.263 120.983 119.800 -0.133 0.000 2.552 63 Q HA 0.794 5.136 4.340 0.003 0.000 0.289 63 Q C -1.098 174.865 176.000 -0.061 0.000 1.097 63 Q CA -0.646 55.106 55.803 -0.086 0.000 0.812 63 Q CB 2.455 31.157 28.738 -0.061 0.000 1.460 63 Q HN 0.657 nan 8.270 nan 0.000 0.452 64 T N 0.001 114.542 114.554 -0.021 0.000 2.841 64 T HA 0.240 4.591 4.350 0.003 0.000 0.285 64 T C 0.879 175.606 174.700 0.045 0.000 0.991 64 T CA -0.434 61.684 62.100 0.031 0.000 0.966 64 T CB 1.368 70.245 68.868 0.015 0.000 0.962 64 T HN 0.411 nan 8.240 nan 0.000 0.438 65 T N 2.291 116.905 114.554 0.100 0.000 2.778 65 T HA -0.041 4.311 4.350 0.003 0.000 0.269 65 T C 1.602 176.346 174.700 0.074 0.000 1.050 65 T CA 1.542 63.715 62.100 0.122 0.000 1.137 65 T CB -0.468 68.595 68.868 0.326 0.000 0.860 65 T HN 1.157 nan 8.240 nan 0.000 0.468 66 A N 0.355 123.206 122.820 0.051 0.000 2.996 66 A HA -0.180 4.141 4.320 0.003 0.000 0.257 66 A C 0.589 178.183 177.584 0.017 0.000 1.394 66 A CA 0.456 52.507 52.037 0.022 0.000 0.820 66 A CB -2.626 16.380 19.000 0.010 0.000 1.054 66 A HN 0.550 nan 8.150 nan 0.000 0.619 67 M N 0.438 120.045 119.600 0.012 0.000 2.209 67 M HA -0.004 4.478 4.480 0.003 0.000 0.361 67 M C 0.687 176.985 176.300 -0.004 0.000 1.211 67 M CA 1.058 56.355 55.300 -0.005 0.000 0.899 67 M CB -0.053 32.514 32.600 -0.056 0.000 1.817 67 M HN 0.567 nan 8.290 nan 0.000 0.476 68 D N 1.530 121.930 120.400 0.001 0.000 2.529 68 D HA 0.153 4.795 4.640 0.003 0.000 0.273 68 D C 0.692 176.991 176.300 -0.001 0.000 1.197 68 D CA -0.220 53.780 54.000 0.001 0.000 1.070 68 D CB 0.835 41.638 40.800 0.005 0.000 1.134 68 D HN 0.527 nan 8.370 nan 0.000 0.590 69 Q N -0.587 119.213 119.800 -0.000 0.000 2.291 69 Q HA -0.063 4.278 4.340 0.003 0.000 0.206 69 Q C 1.555 177.556 176.000 0.002 0.000 0.976 69 Q CA 0.943 56.746 55.803 0.000 0.000 0.875 69 Q CB -0.505 28.233 28.738 0.001 0.000 0.927 69 Q HN 0.318 nan 8.270 nan 0.000 0.450 70 V N -1.237 118.680 119.914 0.004 0.000 3.602 70 V HA 0.102 4.223 4.120 0.003 0.000 0.289 70 V C 1.422 177.521 176.094 0.009 0.000 1.265 70 V CA 0.586 62.890 62.300 0.007 0.000 1.202 70 V CB -0.797 31.031 31.823 0.009 0.000 1.012 70 V HN 0.349 nan 8.190 nan 0.000 0.431 71 S N 0.629 116.332 115.700 0.004 0.000 2.660 71 S HA -0.051 4.420 4.470 0.003 0.000 0.228 71 S C 1.747 176.349 174.600 0.003 0.000 0.966 71 S CA 0.697 58.898 58.200 0.002 0.000 0.940 71 S CB -0.523 62.667 63.200 -0.016 0.000 0.773 71 S HN 0.953 nan 8.310 nan 0.000 0.535 72 S N 0.464 116.167 115.700 0.005 0.000 2.456 72 S HA 0.143 4.614 4.470 0.003 0.000 0.224 72 S C 1.289 175.895 174.600 0.010 0.000 1.035 72 S CA 0.367 58.571 58.200 0.006 0.000 0.940 72 S CB -0.549 62.653 63.200 0.003 0.000 0.799 72 S HN 0.345 nan 8.310 nan 0.000 0.508 73 V N 1.509 121.429 119.914 0.011 0.000 2.865 73 V HA 0.254 4.375 4.120 0.003 0.000 0.163 73 V C 1.345 177.450 176.094 0.019 0.000 1.150 73 V CA -0.153 62.155 62.300 0.013 0.000 1.413 73 V CB -0.495 31.335 31.823 0.012 0.000 1.014 73 V HN 0.387 nan 8.190 nan 0.000 0.453 74 M N 2.054 121.667 119.600 0.021 0.000 2.612 74 M HA 0.076 4.558 4.480 0.003 0.000 0.336 74 M C 1.523 177.847 176.300 0.039 0.000 1.699 74 M CA 0.519 55.836 55.300 0.027 0.000 1.284 74 M CB -0.730 31.885 32.600 0.025 0.000 1.957 74 M HN 0.735 nan 8.290 nan 0.000 0.456 75 G N 4.406 113.232 108.800 0.043 0.000 2.873 75 G HA2 -0.281 3.681 3.960 0.003 0.000 0.233 75 G HA3 -0.281 3.681 3.960 0.003 0.000 0.233 75 G C 0.814 175.771 174.900 0.096 0.000 1.124 75 G CA 1.872 47.010 45.100 0.063 0.000 0.747 75 G HN 1.169 nan 8.290 nan 0.000 0.644 76 A N -2.744 120.141 122.820 0.108 0.000 2.454 76 A HA 0.099 4.421 4.320 0.003 0.000 0.219 76 A C 1.077 178.721 177.584 0.099 0.000 2.875 76 A CA 1.193 53.324 52.037 0.157 0.000 1.571 76 A CB -1.169 18.050 19.000 0.365 0.000 0.160 76 A HN 0.259 nan 8.150 nan 0.000 0.550 77 D N 0.961 121.393 120.400 0.053 0.000 2.984 77 D HA -0.299 4.343 4.640 0.003 0.000 0.266 77 D C 1.706 178.013 176.300 0.012 0.000 1.083 77 D CA 2.071 56.080 54.000 0.014 0.000 0.985 77 D CB -0.085 40.727 40.800 0.019 0.000 1.137 77 D HN 0.612 nan 8.370 nan 0.000 0.495 78 E N 0.620 120.835 120.200 0.025 0.000 2.114 78 E HA -0.229 4.123 4.350 0.003 0.000 0.199 78 E C 1.828 178.436 176.600 0.014 0.000 1.008 78 E CA 1.789 58.203 56.400 0.022 0.000 0.810 78 E CB -0.424 29.290 29.700 0.024 0.000 0.739 78 E HN 0.465 nan 8.360 nan 0.000 0.456 79 N N -0.176 118.543 118.700 0.031 0.000 2.058 79 N HA -0.151 4.591 4.740 0.003 0.000 0.191 79 N C 2.098 177.605 175.510 -0.005 0.000 1.037 79 N CA 1.909 54.980 53.050 0.035 0.000 0.848 79 N CB -0.249 38.291 38.487 0.089 0.000 1.021 79 N HN -0.018 nan 8.380 nan 0.000 0.422 80 V N 0.671 120.557 119.914 -0.047 0.000 2.287 80 V HA -0.200 3.922 4.120 0.003 0.000 0.248 80 V C 2.276 178.263 176.094 -0.179 0.000 1.053 80 V CA 1.361 63.556 62.300 -0.175 0.000 1.027 80 V CB -0.711 30.907 31.823 -0.341 0.000 0.646 80 V HN 0.162 nan 8.190 nan 0.000 0.447 81 V N -0.027 119.820 119.914 -0.113 0.000 2.255 81 V HA -0.319 3.802 4.120 0.003 0.000 0.247 81 V C 2.505 178.524 176.094 -0.125 0.000 1.051 81 V CA 2.479 64.726 62.300 -0.089 0.000 1.018 81 V CB -0.580 31.274 31.823 0.052 0.000 0.641 81 V HN 0.659 nan 8.190 nan 0.000 0.445 82 E N -0.348 119.813 120.200 -0.065 0.000 2.265 82 E HA -0.173 4.179 4.350 0.003 0.000 0.196 82 E C 2.117 178.651 176.600 -0.109 0.000 0.996 82 E CA 1.024 57.390 56.400 -0.057 0.000 0.832 82 E CB -0.131 29.556 29.700 -0.021 0.000 0.756 82 E HN 0.608 nan 8.360 nan 0.000 0.491 83 A N 0.505 123.239 122.820 -0.143 0.000 1.897 83 A HA -0.073 4.249 4.320 0.003 0.000 0.215 83 A C 2.073 179.506 177.584 -0.252 0.000 1.181 83 A CA 0.684 52.630 52.037 -0.152 0.000 0.620 83 A CB -0.417 18.516 19.000 -0.112 0.000 0.821 83 A HN 0.260 nan 8.150 nan 0.000 0.443 84 L N -0.983 119.976 121.223 -0.441 0.000 2.027 84 L HA -0.163 4.179 4.340 0.003 0.000 0.206 84 L C 2.584 179.066 176.870 -0.647 0.000 1.074 84 L CA 1.744 56.142 54.840 -0.736 0.000 0.745 84 L CB -0.365 40.828 42.059 -1.444 0.000 0.898 84 L HN 0.253 nan 8.230 nan 0.000 0.433 85 K N -0.491 119.624 120.400 -0.476 0.000 2.097 85 K HA -0.123 4.199 4.320 0.003 0.000 0.206 85 K C 2.051 178.598 176.600 -0.088 0.000 1.049 85 K CA 1.676 57.913 56.287 -0.084 0.000 0.933 85 K CB -0.203 32.355 32.500 0.097 0.000 0.717 85 K HN 0.226 nan 8.250 nan 0.000 0.442 86 T N 0.889 115.377 114.554 -0.110 0.000 2.674 86 T HA -0.128 4.223 4.350 0.003 0.000 0.265 86 T C 1.824 176.473 174.700 -0.083 0.000 1.039 86 T CA 1.573 63.627 62.100 -0.078 0.000 1.150 86 T CB -0.262 68.563 68.868 -0.072 0.000 0.864 86 T HN 0.097 nan 8.240 nan 0.000 0.427 87 I N 0.733 121.238 120.570 -0.110 0.000 2.113 87 I HA -0.210 3.961 4.170 0.003 0.000 0.238 87 I C 2.832 178.893 176.117 -0.093 0.000 1.070 87 I CA 0.948 62.190 61.300 -0.096 0.000 1.332 87 I CB -0.541 37.393 38.000 -0.110 0.000 1.044 87 I HN 0.319 nan 8.210 nan 0.000 0.402 88 C N 0.791 120.021 119.300 -0.117 0.000 2.375 88 C HA -0.203 4.259 4.460 0.003 0.000 0.274 88 C C 2.682 177.591 174.990 -0.135 0.000 1.190 88 C CA 1.137 60.087 59.018 -0.113 0.000 1.775 88 C CB -1.066 26.628 27.740 -0.078 0.000 2.067 88 C HN 0.510 nan 8.230 nan 0.000 0.463 89 E N -0.308 119.827 120.200 -0.108 0.000 2.299 89 E HA -0.049 4.303 4.350 0.003 0.000 0.193 89 E C 2.108 178.673 176.600 -0.059 0.000 0.998 89 E CA 0.528 56.870 56.400 -0.096 0.000 0.851 89 E CB -0.309 29.354 29.700 -0.061 0.000 0.795 89 E HN 0.520 nan 8.360 nan 0.000 0.492 90 R N 0.992 121.460 120.500 -0.052 0.000 2.087 90 R HA 0.041 4.383 4.340 0.003 0.000 0.216 90 R C 1.408 177.693 176.300 -0.024 0.000 1.114 90 R CA 1.418 57.498 56.100 -0.033 0.000 1.002 90 R CB 0.145 30.425 30.300 -0.033 0.000 0.903 90 R HN -0.013 nan 8.270 nan 0.000 0.445 91 Q N -0.883 118.898 119.800 -0.030 0.000 2.245 91 Q HA 0.277 4.618 4.340 0.003 0.000 0.236 91 Q C -0.632 175.360 176.000 -0.013 0.000 0.842 91 Q CA 0.229 56.024 55.803 -0.014 0.000 0.945 91 Q CB 0.714 29.445 28.738 -0.012 0.000 1.122 91 Q HN 0.254 nan 8.270 nan 0.000 0.506 92 N N 1.040 119.718 118.700 -0.035 0.000 2.699 92 N HA -0.097 4.645 4.740 0.003 0.000 0.257 92 N C -2.681 172.827 175.510 -0.004 0.000 1.077 92 N CA 0.231 53.260 53.050 -0.035 0.000 0.702 92 N CB -0.144 38.339 38.487 -0.007 0.000 0.886 92 N HN 0.142 nan 8.380 nan 0.000 0.549 93 P HA 0.052 nan 4.420 nan 0.000 0.269 93 P C 0.395 177.704 177.300 0.015 0.000 1.217 93 P CA -0.192 62.907 63.100 -0.002 0.000 0.783 93 P CB 0.772 32.463 31.700 -0.016 0.000 0.898 94 S N -0.415 115.295 115.700 0.016 0.000 2.436 94 S HA 0.102 4.573 4.470 0.003 0.000 0.228 94 S C 0.701 175.311 174.600 0.017 0.000 1.014 94 S CA 0.338 58.551 58.200 0.022 0.000 0.950 94 S CB -0.019 63.191 63.200 0.016 0.000 0.784 94 S HN 0.357 nan 8.310 nan 0.000 0.504 95 V N 1.041 120.959 119.914 0.006 0.000 3.048 95 V HA 0.487 4.609 4.120 0.003 0.000 0.303 95 V C -1.152 174.936 176.094 -0.009 0.000 1.214 95 V CA -0.822 61.479 62.300 0.002 0.000 0.984 95 V CB 2.132 33.952 31.823 -0.004 0.000 1.054 95 V HN 0.094 nan 8.190 nan 0.000 0.430 96 I N 1.747 122.309 120.570 -0.013 0.000 2.569 96 I HA 0.681 4.853 4.170 0.003 0.000 0.296 96 I C 0.528 176.634 176.117 -0.019 0.000 1.028 96 I CA -0.585 60.700 61.300 -0.026 0.000 1.082 96 I CB 2.279 40.247 38.000 -0.053 0.000 1.264 96 I HN 0.794 nan 8.210 nan 0.000 0.429 97 G N 5.591 114.383 108.800 -0.012 0.000 2.319 97 G HA2 0.550 4.511 3.960 0.003 0.000 0.308 97 G HA3 0.550 4.511 3.960 0.003 0.000 0.308 97 G C -1.248 173.662 174.900 0.016 0.000 1.117 97 G CA -0.322 44.780 45.100 0.004 0.000 0.903 97 G HN 0.391 nan 8.290 nan 0.000 0.436 98 L N 3.533 124.760 121.223 0.007 0.000 2.276 98 L HA 0.655 4.996 4.340 0.003 0.000 0.286 98 L C -0.816 176.069 176.870 0.026 0.000 1.024 98 L CA -0.521 54.323 54.840 0.007 0.000 0.826 98 L CB 0.967 43.008 42.059 -0.029 0.000 1.211 98 L HN 0.371 nan 8.230 nan 0.000 0.422 99 L N 3.945 125.209 121.223 0.068 0.000 2.381 99 L HA 0.513 4.855 4.340 0.003 0.000 0.274 99 L C 0.262 177.128 176.870 -0.006 0.000 0.988 99 L CA -0.427 54.426 54.840 0.022 0.000 0.824 99 L CB 2.003 44.086 42.059 0.041 0.000 1.263 99 L HN 0.426 nan 8.230 nan 0.000 0.410 100 T N 1.368 115.893 114.554 -0.049 0.000 2.856 100 T HA 0.443 4.795 4.350 0.003 0.000 0.292 100 T C 0.339 174.921 174.700 -0.197 0.000 0.980 100 T CA -0.262 61.814 62.100 -0.041 0.000 1.091 100 T CB 0.567 69.429 68.868 -0.010 0.000 0.936 100 T HN 0.800 nan 8.240 nan 0.000 0.503 101 T N 1.696 116.128 114.554 -0.203 0.000 2.888 101 T HA 0.523 4.875 4.350 0.003 0.000 0.283 101 T C 1.768 176.326 174.700 -0.236 0.000 1.013 101 T CA -0.125 61.810 62.100 -0.275 0.000 0.938 101 T CB 0.564 69.297 68.868 -0.225 0.000 1.298 101 T HN 0.523 nan 8.240 nan 0.000 0.580 102 G N -0.513 108.168 108.800 -0.200 0.000 2.418 102 G HA2 -0.067 3.894 3.960 0.003 0.000 0.217 102 G HA3 -0.067 3.894 3.960 0.003 0.000 0.217 102 G C 1.409 176.442 174.900 0.221 0.000 1.158 102 G CA 0.526 45.621 45.100 -0.008 0.000 0.771 102 G HN 0.653 nan 8.290 nan 0.000 0.545 103 L N 1.181 122.439 121.223 0.059 0.000 1.976 103 L HA -0.115 4.226 4.340 0.003 0.000 0.209 103 L C 3.281 180.147 176.870 -0.006 0.000 1.071 103 L CA 2.222 57.080 54.840 0.029 0.000 0.746 103 L CB -0.419 41.622 42.059 -0.031 0.000 0.890 103 L HN 0.465 nan 8.230 nan 0.000 0.432 104 S N -1.264 114.376 115.700 -0.100 0.000 2.387 104 S HA -0.235 4.236 4.470 0.003 0.000 0.226 104 S C 1.749 176.356 174.600 0.012 0.000 1.026 104 S CA 1.162 59.277 58.200 -0.141 0.000 0.972 104 S CB -0.302 62.626 63.200 -0.453 0.000 0.814 104 S HN 0.438 nan 8.310 nan 0.000 0.477 105 E N 1.347 121.573 120.200 0.043 0.000 2.333 105 E HA -0.047 4.305 4.350 0.003 0.000 0.198 105 E C 1.717 178.430 176.600 0.187 0.000 1.007 105 E CA 1.252 57.720 56.400 0.114 0.000 0.845 105 E CB -0.928 28.817 29.700 0.075 0.000 0.766 105 E HN 0.583 nan 8.360 nan 0.000 0.507 106 T N 0.106 114.763 114.554 0.172 0.000 2.977 106 T HA -0.136 4.216 4.350 0.003 0.000 0.271 106 T C 1.198 175.933 174.700 0.059 0.000 1.105 106 T CA 1.312 63.475 62.100 0.105 0.000 1.116 106 T CB -0.062 68.837 68.868 0.051 0.000 0.878 106 T HN 0.208 nan 8.240 nan 0.000 0.509 107 Q N -0.806 119.033 119.800 0.065 0.000 2.304 107 Q HA 0.374 4.715 4.340 0.003 0.000 0.204 107 Q C 2.053 178.093 176.000 0.067 0.000 0.936 107 Q CA 0.964 56.799 55.803 0.054 0.000 0.878 107 Q CB 0.224 28.994 28.738 0.052 0.000 0.983 107 Q HN 0.485 nan 8.270 nan 0.000 0.516 108 G N -0.255 108.596 108.800 0.085 0.000 2.796 108 G HA2 -0.261 3.701 3.960 0.003 0.000 0.198 108 G HA3 -0.261 3.701 3.960 0.003 0.000 0.198 108 G C 0.686 175.651 174.900 0.108 0.000 1.062 108 G CA -0.085 45.070 45.100 0.092 0.000 0.752 108 G HN 0.860 nan 8.290 nan 0.000 0.487 109 C N 0.930 120.294 119.300 0.106 0.000 4.456 109 C HA -0.051 4.411 4.460 0.003 0.000 0.288 109 C C 0.892 175.948 174.990 0.109 0.000 1.374 109 C CA 0.376 59.475 59.018 0.135 0.000 1.956 109 C CB -2.605 25.245 27.740 0.184 0.000 1.255 109 C HN 2.642 nan 8.230 nan 0.000 0.788 110 D N -1.483 118.965 120.400 0.080 0.000 2.730 110 D HA -0.289 4.353 4.640 0.003 0.000 0.227 110 D C 0.486 176.728 176.300 -0.097 0.000 1.196 110 D CA 1.132 55.116 54.000 -0.026 0.000 0.620 110 D CB -0.974 39.789 40.800 -0.062 0.000 1.012 110 D HN 0.865 nan 8.370 nan 0.000 0.411 111 L N 1.327 122.594 121.223 0.074 0.000 1.921 111 L HA -0.218 4.123 4.340 0.003 0.000 0.219 111 L C 2.754 179.633 176.870 0.015 0.000 1.081 111 L CA 2.813 57.690 54.840 0.060 0.000 0.771 111 L CB -1.413 40.723 42.059 0.129 0.000 0.888 111 L HN 0.602 nan 8.230 nan 0.000 0.433 112 H N -3.092 115.990 119.070 0.020 0.000 2.368 112 H HA -0.218 4.340 4.556 0.003 0.000 0.292 112 H C 1.818 177.191 175.328 0.075 0.000 1.117 112 H CA 1.978 58.046 56.048 0.033 0.000 1.231 112 H CB -1.390 28.382 29.762 0.017 0.000 1.359 112 H HN 0.378 nan 8.280 nan 0.000 0.490 113 T N 0.507 114.651 114.554 -0.684 0.000 2.639 113 T HA -0.074 4.278 4.350 0.003 0.000 0.261 113 T C 2.484 177.133 174.700 -0.085 0.000 1.053 113 T CA 1.562 63.449 62.100 -0.356 0.000 1.158 113 T CB -0.737 67.879 68.868 -0.421 0.000 0.863 113 T HN 0.643 nan 8.240 nan 0.000 0.413 114 A N 0.890 123.647 122.820 -0.106 0.000 2.042 114 A HA -0.046 4.275 4.320 0.003 0.000 0.222 114 A C 2.210 179.810 177.584 0.027 0.000 1.167 114 A CA 1.206 53.214 52.037 -0.048 0.000 0.649 114 A CB -0.798 18.132 19.000 -0.117 0.000 0.809 114 A HN 0.512 nan 8.150 nan 0.000 0.457 115 L N -2.208 119.044 121.223 0.048 0.000 2.375 115 L HA -0.016 4.325 4.340 0.003 0.000 0.215 115 L C 2.211 179.230 176.870 0.249 0.000 1.108 115 L CA 1.209 56.131 54.840 0.137 0.000 0.830 115 L CB -0.197 41.923 42.059 0.102 0.000 0.959 115 L HN 0.633 nan 8.230 nan 0.000 0.457 116 H N -0.432 118.692 119.070 0.090 0.000 2.563 116 H HA 0.042 4.600 4.556 0.003 0.000 0.264 116 H C 1.858 177.273 175.328 0.146 0.000 0.957 116 H CA 0.608 56.722 56.048 0.110 0.000 1.173 116 H CB 0.462 30.254 29.762 0.050 0.000 1.420 116 H HN 0.269 nan 8.280 nan 0.000 0.551 117 E N -0.802 119.467 120.200 0.114 0.000 2.230 117 E HA -0.091 4.260 4.350 0.003 0.000 0.192 117 E C 0.294 177.078 176.600 0.307 0.000 0.987 117 E CA 0.315 56.770 56.400 0.090 0.000 0.841 117 E CB 0.163 29.896 29.700 0.056 0.000 0.783 117 E HN 0.401 nan 8.360 nan 0.000 0.481 118 F N 0.695 120.730 119.950 0.141 0.000 2.750 118 F HA 0.219 4.747 4.527 0.003 0.000 0.297 118 F C 0.654 176.447 175.800 -0.013 0.000 1.138 118 F CA -0.201 57.702 58.000 -0.162 0.000 1.346 118 F CB 0.318 39.113 39.000 -0.342 0.000 0.965 118 F HN -0.296 nan 8.300 nan 0.000 0.514 119 R N -0.440 120.441 120.500 0.636 0.000 2.662 119 R HA 0.314 4.656 4.340 0.003 0.000 0.396 119 R C 0.673 176.897 176.300 -0.127 0.000 1.096 119 R CA 0.245 56.812 56.100 0.780 0.000 1.081 119 R CB -0.270 30.297 30.300 0.446 0.000 1.382 119 R HN 0.177 nan 8.270 nan 0.000 0.580 120 T N -1.334 112.662 114.554 -0.928 0.000 3.393 120 T HA 0.075 4.426 4.350 0.003 0.000 0.231 120 T C 1.094 174.861 174.700 -1.555 0.000 0.983 120 T CA -0.090 61.375 62.100 -1.058 0.000 1.272 120 T CB 0.038 68.593 68.868 -0.523 0.000 1.214 120 T HN -0.044 nan 8.240 nan 0.000 0.368 121 Q N 1.027 120.208 119.800 -1.033 0.000 1.800 121 Q HA -0.149 4.192 4.340 0.003 0.000 0.292 121 Q C -0.011 175.936 176.000 -0.089 0.000 1.027 121 Q CA 2.018 57.661 55.803 -0.268 0.000 0.890 121 Q CB -0.623 28.236 28.738 0.203 0.000 0.968 121 Q HN 0.580 nan 8.270 nan 0.000 0.415 122 Y N -1.543 118.638 120.300 -0.197 0.000 3.689 122 Y HA -0.251 4.301 4.550 0.003 0.000 0.221 122 Y C 0.757 176.584 175.900 -0.121 0.000 1.247 122 Y CA 0.605 58.547 58.100 -0.265 0.000 1.671 122 Y CB -2.948 35.271 38.460 -0.402 0.000 1.521 122 Y HN 0.348 nan 8.280 nan 0.000 0.632 123 E N 0.308 120.572 120.200 0.107 0.000 2.197 123 E HA -0.228 4.124 4.350 0.003 0.000 0.205 123 E C 1.208 177.874 176.600 0.110 0.000 1.029 123 E CA 1.448 57.900 56.400 0.087 0.000 0.828 123 E CB -0.008 29.734 29.700 0.069 0.000 0.737 123 E HN 0.499 nan 8.360 nan 0.000 0.464 124 E N 0.490 120.729 120.200 0.064 0.000 2.652 124 E HA -0.169 4.183 4.350 0.003 0.000 0.255 124 E C 0.231 176.896 176.600 0.108 0.000 0.952 124 E CA 0.003 56.406 56.400 0.004 0.000 0.947 124 E CB 0.251 29.944 29.700 -0.012 0.000 0.912 124 E HN 0.169 nan 8.360 nan 0.000 0.489 125 Y N 4.030 124.351 120.300 0.035 0.000 2.024 125 Y HA -0.368 4.183 4.550 0.003 0.000 0.257 125 Y C 1.721 177.634 175.900 0.023 0.000 1.233 125 Y CA 2.109 60.226 58.100 0.028 0.000 1.087 125 Y CB -1.298 37.181 38.460 0.032 0.000 0.905 125 Y HN 0.781 nan 8.280 nan 0.000 0.503 126 K N -1.315 119.192 120.400 0.179 0.000 2.646 126 K HA -0.250 4.071 4.320 0.003 0.000 0.854 126 K C -0.029 176.670 176.600 0.164 0.000 2.141 126 K CA 0.971 57.331 56.287 0.122 0.000 1.426 126 K CB -1.317 31.245 32.500 0.103 0.000 2.695 126 K HN 0.358 nan 8.250 nan 0.000 0.191 127 D N -2.596 117.875 120.400 0.118 0.000 2.792 127 D HA -0.152 4.489 4.640 0.003 0.000 0.192 127 D C -0.629 175.737 176.300 0.110 0.000 1.007 127 D CA 1.429 55.492 54.000 0.105 0.000 1.020 127 D CB -0.789 40.075 40.800 0.106 0.000 1.089 127 D HN 0.324 nan 8.370 nan 0.000 0.438 128 V N 2.754 122.740 119.914 0.121 0.000 2.356 128 V HA 0.241 4.363 4.120 0.003 0.000 0.258 128 V C -1.706 174.436 176.094 0.080 0.000 1.065 128 V CA -0.913 61.443 62.300 0.093 0.000 0.935 128 V CB 1.121 32.992 31.823 0.080 0.000 1.061 128 V HN -0.030 nan 8.190 nan 0.000 0.484 129 P HA 0.294 nan 4.420 nan 0.000 0.271 129 P C -0.526 176.799 177.300 0.042 0.000 1.233 129 P CA -0.023 63.106 63.100 0.048 0.000 0.789 129 P CB 0.832 32.551 31.700 0.030 0.000 0.951 130 I N 0.238 120.832 120.570 0.040 0.000 2.571 130 I HA 0.185 4.357 4.170 0.003 0.000 0.289 130 I C -0.848 175.278 176.117 0.014 0.000 1.115 130 I CA -1.020 60.295 61.300 0.024 0.000 1.045 130 I CB 2.239 40.262 38.000 0.038 0.000 1.238 130 I HN -0.064 nan 8.210 nan 0.000 0.424 131 V N 7.976 127.890 119.914 -0.001 0.000 2.383 131 V HA 0.400 4.522 4.120 0.003 0.000 0.275 131 V C -2.326 173.763 176.094 -0.008 0.000 1.036 131 V CA -1.556 60.739 62.300 -0.009 0.000 0.889 131 V CB 1.142 32.951 31.823 -0.023 0.000 0.985 131 V HN 0.506 nan 8.190 nan 0.000 0.459 132 P HA 0.546 nan 4.420 nan 0.000 0.304 132 P C -1.115 176.177 177.300 -0.013 0.000 1.360 132 P CA -0.561 62.539 63.100 -0.001 0.000 0.869 132 P CB 1.819 33.531 31.700 0.019 0.000 0.988 133 V N 3.750 123.653 119.914 -0.019 0.000 2.789 133 V HA 0.395 4.516 4.120 0.003 0.000 0.311 133 V C -0.170 175.898 176.094 -0.044 0.000 1.073 133 V CA -0.642 61.635 62.300 -0.039 0.000 0.921 133 V CB 2.325 34.114 31.823 -0.057 0.000 1.009 133 V HN 0.430 nan 8.190 nan 0.000 0.426 134 N N 2.950 121.618 118.700 -0.053 0.000 2.485 134 N HA 0.447 5.189 4.740 0.003 0.000 0.243 134 N C -0.201 175.243 175.510 -0.111 0.000 0.987 134 N CA -0.041 52.969 53.050 -0.066 0.000 0.940 134 N CB 1.554 40.016 38.487 -0.042 0.000 1.122 134 N HN 0.912 nan 8.380 nan 0.000 0.509 135 T N -0.752 113.706 114.554 -0.160 0.000 3.583 135 T HA 0.313 4.664 4.350 0.003 0.000 0.266 135 T C -2.964 171.545 174.700 -0.318 0.000 1.296 135 T CA -1.610 60.362 62.100 -0.214 0.000 1.668 135 T CB 1.001 69.750 68.868 -0.198 0.000 0.832 135 T HN 0.048 nan 8.240 nan 0.000 0.649 136 P HA 0.138 nan 4.420 nan 0.000 0.263 136 P C 0.827 177.730 177.300 -0.663 0.000 1.195 136 P CA 0.021 62.668 63.100 -0.755 0.000 0.762 136 P CB 0.610 31.531 31.700 -1.298 0.000 0.799 137 D N 3.383 123.478 120.400 -0.508 0.000 2.220 137 D HA -0.228 4.413 4.640 0.003 0.000 0.198 137 D C 1.355 177.547 176.300 -0.180 0.000 1.001 137 D CA 1.699 55.537 54.000 -0.270 0.000 0.875 137 D CB -0.545 40.176 40.800 -0.133 0.000 0.921 137 D HN 0.561 nan 8.370 nan 0.000 0.454 138 F N 0.650 120.569 119.950 -0.052 0.000 2.811 138 F HA 0.206 4.735 4.527 0.003 0.000 0.301 138 F C 0.712 176.495 175.800 -0.029 0.000 1.151 138 F CA -0.439 57.539 58.000 -0.036 0.000 1.412 138 F CB -0.253 38.728 39.000 -0.031 0.000 1.113 138 F HN -0.221 nan 8.300 nan 0.000 0.579 139 S N -1.013 114.658 115.700 -0.049 0.000 2.632 139 S HA 0.800 5.272 4.470 0.003 0.000 0.289 139 S C 0.257 174.837 174.600 -0.034 0.000 1.115 139 S CA -0.606 57.599 58.200 0.008 0.000 0.889 139 S CB 1.265 64.483 63.200 0.031 0.000 1.116 139 S HN 0.823 nan 8.310 nan 0.000 0.486 140 G N 0.192 108.990 108.800 -0.003 0.000 2.578 140 G HA2 -0.142 3.819 3.960 0.003 0.000 0.284 140 G HA3 -0.142 3.819 3.960 0.003 0.000 0.284 140 G C 0.276 175.176 174.900 0.001 0.000 1.283 140 G CA 0.687 45.785 45.100 -0.003 0.000 0.944 140 G HN 2.386 nan 8.290 nan 0.000 0.558 141 C N -4.490 114.816 119.300 0.011 0.000 3.272 141 C HA 0.692 5.154 4.460 0.003 0.000 0.363 141 C C 1.217 176.252 174.990 0.075 0.000 1.514 141 C CA 0.052 59.100 59.018 0.050 0.000 1.185 141 C CB 0.489 28.278 27.740 0.081 0.000 1.716 141 C HN 1.418 nan 8.230 nan 0.000 0.440 142 F N 1.642 121.576 119.950 -0.027 0.000 2.065 142 F HA -0.118 4.410 4.527 0.002 0.000 0.298 142 F C 2.473 178.293 175.800 0.033 0.000 1.112 142 F CA 2.659 60.644 58.000 -0.025 0.000 1.212 142 F CB -0.086 38.886 39.000 -0.046 0.000 0.975 142 F HN 0.917 nan 8.300 nan 0.000 0.476 143 E N -0.118 120.248 120.200 0.277 0.000 2.047 143 E HA -0.214 4.138 4.350 0.003 0.000 0.191 143 E C 2.269 178.950 176.600 0.135 0.000 0.987 143 E CA 1.601 58.129 56.400 0.213 0.000 0.799 143 E CB -0.306 29.518 29.700 0.207 0.000 0.752 143 E HN 0.511 nan 8.360 nan 0.000 0.449 144 S N -0.015 115.734 115.700 0.083 0.000 2.368 144 S HA -0.059 4.412 4.470 0.003 0.000 0.224 144 S C 2.204 176.803 174.600 -0.001 0.000 1.029 144 S CA 1.010 59.235 58.200 0.042 0.000 0.988 144 S CB -1.024 62.191 63.200 0.024 0.000 0.838 144 S HN 0.421 nan 8.310 nan 0.000 0.462 145 G N 1.412 110.189 108.800 -0.038 0.000 2.599 145 G HA2 -0.280 3.681 3.960 0.003 0.000 0.219 145 G HA3 -0.280 3.681 3.960 0.003 0.000 0.219 145 G C 1.188 176.035 174.900 -0.088 0.000 1.193 145 G CA 1.173 46.213 45.100 -0.100 0.000 0.778 145 G HN 0.533 nan 8.290 nan 0.000 0.589 146 F N 2.456 122.253 119.950 -0.255 0.000 2.043 146 F HA -0.059 4.469 4.527 0.003 0.000 0.297 146 F C 2.867 178.602 175.800 -0.107 0.000 1.121 146 F CA 1.970 59.840 58.000 -0.216 0.000 1.199 146 F CB -0.488 38.355 39.000 -0.262 0.000 0.968 146 F HN 0.234 nan 8.300 nan 0.000 0.478 147 A N -0.102 122.707 122.820 -0.018 0.000 2.131 147 A HA -0.020 4.302 4.320 0.003 0.000 0.220 147 A C 2.212 179.719 177.584 -0.129 0.000 1.158 147 A CA 1.568 53.558 52.037 -0.079 0.000 0.665 147 A CB -1.406 17.620 19.000 0.044 0.000 0.795 147 A HN 0.551 nan 8.150 nan 0.000 0.460 148 A N -0.876 121.869 122.820 -0.124 0.000 2.030 148 A HA 0.455 4.777 4.320 0.003 0.000 0.215 148 A C 2.178 179.677 177.584 -0.141 0.000 1.164 148 A CA 1.195 53.166 52.037 -0.110 0.000 0.697 148 A CB -0.451 18.496 19.000 -0.087 0.000 0.827 148 A HN 0.932 nan 8.150 nan 0.000 0.457 149 A N -0.709 121.988 122.820 -0.205 0.000 2.218 149 A HA 0.331 4.653 4.320 0.003 0.000 0.209 149 A C 1.808 179.247 177.584 -0.241 0.000 1.168 149 A CA 0.988 52.905 52.037 -0.201 0.000 0.804 149 A CB -0.246 18.636 19.000 -0.196 0.000 0.834 149 A HN 0.253 nan 8.150 nan 0.000 0.482 150 V N -0.289 119.444 119.914 -0.302 0.000 2.535 150 V HA -0.118 4.004 4.120 0.003 0.000 0.246 150 V C 2.372 178.380 176.094 -0.143 0.000 1.045 150 V CA 1.793 63.942 62.300 -0.252 0.000 1.058 150 V CB -0.383 31.264 31.823 -0.294 0.000 0.689 150 V HN 0.536 nan 8.190 nan 0.000 0.461 151 K N 0.444 120.771 120.400 -0.121 0.000 2.002 151 K HA -0.184 4.137 4.320 0.003 0.000 0.209 151 K C 2.258 178.815 176.600 -0.073 0.000 1.048 151 K CA 1.642 57.882 56.287 -0.080 0.000 0.930 151 K CB -0.336 32.124 32.500 -0.066 0.000 0.714 151 K HN 0.428 nan 8.250 nan 0.000 0.438 152 A N 1.202 123.973 122.820 -0.081 0.000 1.940 152 A HA -0.162 4.160 4.320 0.003 0.000 0.219 152 A C 2.065 179.614 177.584 -0.060 0.000 1.176 152 A CA 1.402 53.401 52.037 -0.063 0.000 0.631 152 A CB -0.526 18.436 19.000 -0.063 0.000 0.814 152 A HN 0.292 nan 8.150 nan 0.000 0.446 153 I N -0.809 119.714 120.570 -0.079 0.000 2.163 153 I HA -0.212 3.960 4.170 0.003 0.000 0.240 153 I C 2.400 178.487 176.117 -0.050 0.000 1.081 153 I CA 1.121 62.381 61.300 -0.066 0.000 1.353 153 I CB -0.446 37.502 38.000 -0.087 0.000 1.054 153 I HN 0.155 nan 8.210 nan 0.000 0.407 154 V N 1.011 120.892 119.914 -0.055 0.000 2.231 154 V HA -0.357 3.764 4.120 0.003 0.000 0.250 154 V C 2.390 178.465 176.094 -0.032 0.000 1.058 154 V CA 2.328 64.604 62.300 -0.040 0.000 1.022 154 V CB -0.714 31.083 31.823 -0.042 0.000 0.640 154 V HN 0.471 nan 8.190 nan 0.000 0.445 155 E N -0.620 119.560 120.200 -0.034 0.000 2.150 155 E HA -0.162 4.189 4.350 0.003 0.000 0.193 155 E C 2.183 178.771 176.600 -0.020 0.000 0.985 155 E CA 1.614 57.999 56.400 -0.027 0.000 0.814 155 E CB -0.271 29.411 29.700 -0.029 0.000 0.752 155 E HN 0.592 nan 8.360 nan 0.000 0.466 156 T N 0.825 115.368 114.554 -0.019 0.000 2.951 156 T HA -0.021 4.330 4.350 0.003 0.000 0.268 156 T C 0.281 174.977 174.700 -0.006 0.000 1.073 156 T CA 0.606 62.701 62.100 -0.010 0.000 1.134 156 T CB 0.179 69.042 68.868 -0.008 0.000 0.884 156 T HN -0.098 nan 8.240 nan 0.000 0.479 157 L N 1.803 123.019 121.223 -0.011 0.000 2.387 157 L HA 0.449 4.791 4.340 0.003 0.000 0.259 157 L C 0.719 177.584 176.870 -0.007 0.000 1.050 157 L CA -0.602 54.234 54.840 -0.007 0.000 0.922 157 L CB 0.224 42.278 42.059 -0.008 0.000 1.280 157 L HN -0.070 nan 8.230 nan 0.000 0.449 158 V N 2.736 122.647 119.914 -0.005 0.000 1.951 158 V HA -0.230 3.892 4.120 0.003 0.000 0.110 158 V C -0.702 175.388 176.094 -0.008 0.000 1.487 158 V CA 1.314 63.611 62.300 -0.005 0.000 2.150 158 V CB -0.935 30.886 31.823 -0.003 0.000 1.501 158 V HN 0.577 nan 8.190 nan 0.000 1.002 159 P HA -0.187 nan 4.420 nan 0.000 0.218 159 P C 1.229 178.522 177.300 -0.012 0.000 1.146 159 P CA 2.326 65.418 63.100 -0.013 0.000 0.813 159 P CB 0.147 31.838 31.700 -0.016 0.000 0.778 160 E N -0.026 120.168 120.200 -0.011 0.000 2.068 160 E HA -0.044 4.308 4.350 0.003 0.000 0.201 160 E C 2.156 178.750 176.600 -0.010 0.000 0.947 160 E CA 0.212 56.606 56.400 -0.011 0.000 0.909 160 E CB -1.229 28.465 29.700 -0.010 0.000 1.015 160 E HN -0.191 nan 8.360 nan 0.000 0.484 161 R N 1.255 121.751 120.500 -0.008 0.000 2.234 161 R HA -0.136 4.205 4.340 0.003 0.000 0.241 161 R C 0.883 177.179 176.300 -0.008 0.000 1.115 161 R CA 1.553 57.648 56.100 -0.007 0.000 0.913 161 R CB -0.659 29.638 30.300 -0.005 0.000 0.911 161 R HN 0.171 nan 8.270 nan 0.000 0.430 162 R N 1.316 121.812 120.500 -0.007 0.000 2.707 162 R HA 0.158 4.499 4.340 0.003 0.000 0.270 162 R C 0.252 176.546 176.300 -0.009 0.000 1.083 162 R CA 0.081 56.177 56.100 -0.008 0.000 1.182 162 R CB 0.068 30.363 30.300 -0.007 0.000 1.084 162 R HN 0.470 nan 8.270 nan 0.000 0.528 163 D N -1.261 119.133 120.400 -0.010 0.000 2.808 163 D HA -0.027 4.615 4.640 0.003 0.000 0.294 163 D C 0.345 176.638 176.300 -0.011 0.000 1.278 163 D CA -0.381 53.612 54.000 -0.011 0.000 0.756 163 D CB 0.938 41.731 40.800 -0.012 0.000 1.271 163 D HN 0.482 nan 8.370 nan 0.000 0.425 164 Q N -0.553 119.240 119.800 -0.013 0.000 1.790 164 Q HA -0.381 3.961 4.340 0.003 0.000 0.172 164 Q C 1.139 177.132 176.000 -0.012 0.000 2.943 164 Q CA 3.234 59.029 55.803 -0.013 0.000 0.194 164 Q CB -1.298 27.433 28.738 -0.012 0.000 0.229 164 Q HN 0.342 nan 8.270 nan 0.000 0.360 165 V N -0.034 119.874 119.914 -0.010 0.000 3.217 165 V HA 0.101 4.222 4.120 0.003 0.000 0.264 165 V C 1.352 177.441 176.094 -0.009 0.000 1.135 165 V CA 1.148 63.443 62.300 -0.009 0.000 1.142 165 V CB 0.084 31.902 31.823 -0.008 0.000 0.754 165 V HN 0.466 nan 8.190 nan 0.000 0.484 166 G N 2.414 111.208 108.800 -0.010 0.000 3.064 166 G HA2 0.446 4.407 3.960 0.003 0.000 0.286 166 G HA3 0.446 4.407 3.960 0.003 0.000 0.286 166 G C 0.251 175.145 174.900 -0.011 0.000 0.834 166 G CA -0.314 44.781 45.100 -0.010 0.000 1.856 166 G HN 0.730 nan 8.290 nan 0.000 0.559 167 K N 0.540 120.933 120.400 -0.011 0.000 3.204 167 K HA 0.238 4.559 4.320 0.003 0.000 0.196 167 K C 0.447 177.040 176.600 -0.012 0.000 1.229 167 K CA -0.752 55.527 56.287 -0.013 0.000 0.820 167 K CB 0.240 32.730 32.500 -0.016 0.000 1.130 167 K HN 0.337 nan 8.250 nan 0.000 0.569 168 R N -0.175 120.319 120.500 -0.010 0.000 2.015 168 R HA 0.290 4.632 4.340 0.003 0.000 0.212 168 R C -1.180 175.115 176.300 -0.008 0.000 1.304 168 R CA -0.223 55.872 56.100 -0.009 0.000 1.040 168 R CB -1.856 28.440 30.300 -0.007 0.000 0.915 168 R HN 0.199 nan 8.270 nan 0.000 0.465 169 P HA -0.085 nan 4.420 nan 0.000 0.296 169 P C -0.030 177.265 177.300 -0.008 0.000 1.407 169 P CA 0.496 63.593 63.100 -0.006 0.000 0.793 169 P CB 0.215 31.913 31.700 -0.004 0.000 1.675 170 R N -0.958 119.538 120.500 -0.007 0.000 2.563 170 R HA 0.160 4.501 4.340 0.003 0.000 0.443 170 R C -0.140 176.152 176.300 -0.012 0.000 0.956 170 R CA -0.151 55.943 56.100 -0.010 0.000 1.141 170 R CB -0.727 29.572 30.300 -0.003 0.000 1.553 170 R HN 0.435 nan 8.270 nan 0.000 0.577 171 Q N 1.988 121.781 119.800 -0.011 0.000 2.295 171 Q HA 0.310 4.651 4.340 0.003 0.000 0.259 171 Q C -0.652 175.338 176.000 -0.018 0.000 0.976 171 Q CA -0.396 55.402 55.803 -0.009 0.000 0.923 171 Q CB 1.359 30.095 28.738 -0.004 0.000 1.185 171 Q HN 0.231 nan 8.270 nan 0.000 0.410 172 V N 2.685 122.586 119.914 -0.021 0.000 2.370 172 V HA 0.402 4.524 4.120 0.003 0.000 0.283 172 V C -0.256 175.831 176.094 -0.010 0.000 1.023 172 V CA -1.238 61.042 62.300 -0.034 0.000 0.857 172 V CB 1.151 32.932 31.823 -0.069 0.000 0.985 172 V HN 0.719 nan 8.190 nan 0.000 0.443 173 N N 2.830 121.526 118.700 -0.007 0.000 2.520 173 N HA 0.478 5.220 4.740 0.003 0.000 0.273 173 N C -0.605 174.922 175.510 0.030 0.000 1.155 173 N CA -0.123 52.933 53.050 0.010 0.000 0.967 173 N CB 1.951 40.439 38.487 0.002 0.000 1.092 173 N HN 0.622 nan 8.380 nan 0.000 0.457 174 V N 3.370 123.316 119.914 0.054 0.000 2.407 174 V HA 0.321 4.442 4.120 0.003 0.000 0.291 174 V C 0.230 176.372 176.094 0.080 0.000 1.018 174 V CA -0.726 61.627 62.300 0.089 0.000 0.842 174 V CB 1.611 33.517 31.823 0.138 0.000 0.996 174 V HN 0.436 nan 8.190 nan 0.000 0.426 175 L N 4.468 125.736 121.223 0.075 0.000 2.283 175 L HA 0.372 4.714 4.340 0.003 0.000 0.287 175 L C -0.234 176.699 176.870 0.105 0.000 1.073 175 L CA -0.054 54.828 54.840 0.069 0.000 0.822 175 L CB 0.762 42.848 42.059 0.044 0.000 1.186 175 L HN 0.669 nan 8.230 nan 0.000 0.436 176 C N 2.122 121.504 119.300 0.136 0.000 2.365 176 C HA 0.505 4.966 4.460 0.003 0.000 0.351 176 C C 1.009 176.172 174.990 0.289 0.000 1.240 176 C CA -0.690 58.437 59.018 0.181 0.000 2.062 176 C CB 1.094 28.951 27.740 0.195 0.000 2.387 176 C HN 0.893 nan 8.230 nan 0.000 0.537 177 S N 2.081 117.925 115.700 0.240 0.000 2.690 177 S HA 0.629 5.101 4.470 0.003 0.000 0.285 177 S C 0.897 175.555 174.600 0.096 0.000 1.135 177 S CA 0.030 58.415 58.200 0.309 0.000 1.020 177 S CB 0.844 64.138 63.200 0.157 0.000 1.159 177 S HN 0.898 nan 8.310 nan 0.000 0.534 178 A N 0.417 123.123 122.820 -0.190 0.000 2.016 178 A HA 0.092 4.414 4.320 0.003 0.000 0.217 178 A C 1.518 179.037 177.584 -0.107 0.000 1.162 178 A CA 1.069 52.648 52.037 -0.764 0.000 0.662 178 A CB -1.115 17.615 19.000 -0.450 0.000 0.812 178 A HN 0.859 nan 8.150 nan 0.000 0.450 179 N N -0.648 118.074 118.700 0.035 0.000 2.270 179 N HA 0.214 4.955 4.740 0.003 0.000 0.198 179 N C -0.965 174.587 175.510 0.070 0.000 1.117 179 N CA -0.346 52.768 53.050 0.107 0.000 0.845 179 N CB 0.311 38.822 38.487 0.040 0.000 0.980 179 N HN 0.176 nan 8.380 nan 0.000 0.486 180 L N 1.901 123.175 121.223 0.085 0.000 2.433 180 L HA 0.109 4.451 4.340 0.003 0.000 0.275 180 L C 1.058 178.058 176.870 0.216 0.000 1.128 180 L CA 0.067 54.986 54.840 0.131 0.000 0.875 180 L CB -0.235 41.891 42.059 0.111 0.000 1.171 180 L HN 0.169 nan 8.230 nan 0.000 0.463 181 T N 1.690 116.397 114.554 0.256 0.000 2.874 181 T HA 0.351 4.702 4.350 0.003 0.000 0.281 181 T C -1.733 173.137 174.700 0.284 0.000 0.994 181 T CA -1.761 60.529 62.100 0.318 0.000 1.015 181 T CB 0.862 69.937 68.868 0.345 0.000 1.028 181 T HN 0.358 nan 8.240 nan 0.000 0.523 182 P HA -0.064 nan 4.420 nan 0.000 0.217 182 P C 1.721 179.145 177.300 0.207 0.000 1.151 182 P CA 1.448 64.703 63.100 0.258 0.000 0.849 182 P CB -0.415 31.474 31.700 0.314 0.000 0.787 183 G N -1.122 107.786 108.800 0.181 0.000 2.534 183 G HA2 -0.180 3.782 3.960 0.003 0.000 0.217 183 G HA3 -0.180 3.782 3.960 0.003 0.000 0.217 183 G C 1.206 176.200 174.900 0.158 0.000 1.128 183 G CA 0.457 45.635 45.100 0.131 0.000 0.784 183 G HN 0.193 nan 8.290 nan 0.000 0.542 184 D N 0.365 120.879 120.400 0.190 0.000 2.162 184 D HA 0.026 4.667 4.640 0.003 0.000 0.203 184 D C 2.613 179.025 176.300 0.186 0.000 0.967 184 D CA 0.296 54.407 54.000 0.185 0.000 0.840 184 D CB 0.107 41.017 40.800 0.183 0.000 0.972 184 D HN 0.292 nan 8.370 nan 0.000 0.482 185 L N 0.671 121.999 121.223 0.175 0.000 2.131 185 L HA -0.043 4.298 4.340 0.003 0.000 0.206 185 L C 2.382 179.345 176.870 0.155 0.000 1.087 185 L CA 0.805 55.738 54.840 0.155 0.000 0.767 185 L CB -0.217 41.936 42.059 0.156 0.000 0.917 185 L HN -0.057 nan 8.230 nan 0.000 0.441 186 E N -0.330 119.971 120.200 0.170 0.000 2.051 186 E HA -0.277 4.074 4.350 0.003 0.000 0.192 186 E C 2.085 178.796 176.600 0.184 0.000 0.991 186 E CA 1.547 58.046 56.400 0.164 0.000 0.799 186 E CB -0.156 29.641 29.700 0.162 0.000 0.748 186 E HN 0.417 nan 8.360 nan 0.000 0.449 187 Y N 1.055 121.407 120.300 0.088 0.000 2.165 187 Y HA -0.219 4.332 4.550 0.002 0.000 0.286 187 Y C 1.946 177.899 175.900 0.089 0.000 1.155 187 Y CA 1.454 59.603 58.100 0.082 0.000 1.164 187 Y CB -0.177 38.296 38.460 0.023 0.000 0.978 187 Y HN -0.017 nan 8.280 nan 0.000 0.513 188 I N 0.009 120.597 120.570 0.031 0.000 2.315 188 I HA -0.302 3.869 4.170 0.003 0.000 0.248 188 I C 2.612 178.828 176.117 0.165 0.000 1.117 188 I CA 1.222 62.514 61.300 -0.013 0.000 1.404 188 I CB -0.538 37.472 38.000 0.017 0.000 1.071 188 I HN 0.385 nan 8.210 nan 0.000 0.419 189 A N 0.295 123.185 122.820 0.115 0.000 1.854 189 A HA -0.146 4.175 4.320 0.003 0.000 0.214 189 A C 2.193 179.833 177.584 0.094 0.000 1.192 189 A CA 1.232 53.336 52.037 0.112 0.000 0.611 189 A CB -0.401 18.662 19.000 0.105 0.000 0.832 189 A HN 0.295 nan 8.150 nan 0.000 0.442 190 E N 0.145 120.397 120.200 0.086 0.000 2.058 190 E HA -0.154 4.197 4.350 0.003 0.000 0.194 190 E C 2.244 178.914 176.600 0.118 0.000 0.997 190 E CA 1.327 57.791 56.400 0.108 0.000 0.801 190 E CB -1.008 28.774 29.700 0.137 0.000 0.746 190 E HN 0.492 nan 8.360 nan 0.000 0.450 191 S N 0.383 116.077 115.700 -0.010 0.000 2.365 191 S HA -0.153 4.319 4.470 0.003 0.000 0.225 191 S C 2.045 176.730 174.600 0.141 0.000 1.039 191 S CA 1.043 59.229 58.200 -0.023 0.000 1.033 191 S CB -0.249 62.777 63.200 -0.290 0.000 0.887 191 S HN 0.180 nan 8.310 nan 0.000 0.447 192 I N 1.241 121.855 120.570 0.074 0.000 2.090 192 I HA -0.184 3.988 4.170 0.003 0.000 0.236 192 I C 2.557 178.751 176.117 0.127 0.000 1.064 192 I CA 1.667 62.970 61.300 0.005 0.000 1.324 192 I CB -0.607 37.383 38.000 -0.018 0.000 1.044 192 I HN 0.379 nan 8.210 nan 0.000 0.399 193 E N 0.536 120.803 120.200 0.110 0.000 2.208 193 E HA -0.298 4.054 4.350 0.003 0.000 0.202 193 E C 2.090 178.768 176.600 0.129 0.000 1.014 193 E CA 1.824 58.288 56.400 0.106 0.000 0.819 193 E CB -0.270 29.482 29.700 0.087 0.000 0.735 193 E HN 0.532 nan 8.360 nan 0.000 0.469 194 S N -0.275 115.533 115.700 0.181 0.000 2.507 194 S HA -0.075 4.397 4.470 0.003 0.000 0.235 194 S C 1.321 175.948 174.600 0.046 0.000 0.988 194 S CA 0.443 58.722 58.200 0.132 0.000 0.944 194 S CB -0.194 63.137 63.200 0.219 0.000 0.762 194 S HN 0.199 nan 8.310 nan 0.000 0.526 195 F N 1.258 121.228 119.950 0.033 0.000 2.727 195 F HA 0.400 4.928 4.527 0.002 0.000 0.302 195 F C 1.924 177.720 175.800 -0.007 0.000 1.097 195 F CA 0.243 58.246 58.000 0.006 0.000 1.330 195 F CB 0.445 39.420 39.000 -0.042 0.000 1.084 195 F HN 0.397 nan 8.300 nan 0.000 0.578 196 G N 0.644 109.524 108.800 0.133 0.000 2.176 196 G HA2 -0.292 3.669 3.960 0.003 0.000 0.253 196 G HA3 -0.292 3.669 3.960 0.003 0.000 0.253 196 G C 0.474 175.414 174.900 0.068 0.000 0.979 196 G CA 0.124 45.271 45.100 0.077 0.000 0.641 196 G HN 0.240 nan 8.290 nan 0.000 0.530 197 L N -0.333 120.938 121.223 0.081 0.000 2.470 197 L HA 0.666 5.008 4.340 0.003 0.000 0.243 197 L C 1.111 178.000 176.870 0.032 0.000 1.227 197 L CA -0.126 54.733 54.840 0.032 0.000 0.824 197 L CB 0.426 42.478 42.059 -0.011 0.000 1.175 197 L HN 0.471 nan 8.230 nan 0.000 0.503 198 R N 0.355 120.864 120.500 0.016 0.000 2.510 198 R HA 0.472 4.814 4.340 0.003 0.000 0.294 198 R C -2.964 173.347 176.300 0.018 0.000 1.056 198 R CA -1.546 54.568 56.100 0.023 0.000 0.918 198 R CB 1.278 31.591 30.300 0.021 0.000 1.187 198 R HN 0.130 nan 8.270 nan 0.000 0.437 199 P HA 0.114 nan 4.420 nan 0.000 0.285 199 P C -0.815 176.506 177.300 0.035 0.000 1.259 199 P CA -0.472 62.650 63.100 0.037 0.000 0.794 199 P CB 1.258 32.995 31.700 0.062 0.000 0.940 200 L N 4.990 126.232 121.223 0.031 0.000 2.335 200 L HA 0.335 4.676 4.340 0.003 0.000 0.268 200 L C -0.323 176.571 176.870 0.041 0.000 1.037 200 L CA -0.870 53.988 54.840 0.030 0.000 0.895 200 L CB 0.141 42.210 42.059 0.018 0.000 1.266 200 L HN 0.292 nan 8.230 nan 0.000 0.439 201 L N 5.707 126.962 121.223 0.053 0.000 2.418 201 L HA 0.284 4.625 4.340 0.003 0.000 0.274 201 L C -0.232 176.672 176.870 0.056 0.000 1.135 201 L CA 0.159 55.040 54.840 0.068 0.000 0.870 201 L CB 0.928 43.036 42.059 0.082 0.000 1.154 201 L HN 0.537 nan 8.230 nan 0.000 0.462 202 I N 6.250 126.855 120.570 0.058 0.000 2.411 202 I HA 0.339 4.511 4.170 0.003 0.000 0.284 202 I C -2.054 174.095 176.117 0.054 0.000 1.012 202 I CA -1.690 59.633 61.300 0.038 0.000 1.119 202 I CB 1.859 39.867 38.000 0.013 0.000 1.261 202 I HN 0.409 nan 8.210 nan 0.000 0.448 203 P HA 0.264 nan 4.420 nan 0.000 0.328 203 P C -1.074 176.285 177.300 0.098 0.000 1.305 203 P CA -0.248 62.887 63.100 0.058 0.000 0.745 203 P CB 1.113 32.832 31.700 0.033 0.000 1.462 204 D N -0.683 119.762 120.400 0.076 0.000 2.346 204 D HA 0.232 4.874 4.640 0.003 0.000 0.255 204 D C 0.967 177.301 176.300 0.058 0.000 1.276 204 D CA -0.315 53.730 54.000 0.075 0.000 0.941 204 D CB -0.034 40.795 40.800 0.049 0.000 1.199 204 D HN 0.055 nan 8.370 nan 0.000 0.537 205 L N 1.259 122.536 121.223 0.090 0.000 2.275 205 L HA -0.109 4.232 4.340 0.003 0.000 0.215 205 L C 2.203 179.111 176.870 0.063 0.000 1.119 205 L CA 0.660 55.533 54.840 0.055 0.000 0.790 205 L CB -0.160 41.966 42.059 0.112 0.000 0.919 205 L HN 0.235 nan 8.230 nan 0.000 0.443 206 S N 0.197 115.959 115.700 0.104 0.000 2.387 206 S HA -0.183 4.288 4.470 0.003 0.000 0.230 206 S C 2.023 176.663 174.600 0.067 0.000 1.035 206 S CA 1.436 59.716 58.200 0.133 0.000 1.014 206 S CB -0.627 62.655 63.200 0.137 0.000 0.836 206 S HN 0.641 nan 8.310 nan 0.000 0.466 207 G N 0.944 109.717 108.800 -0.044 0.000 2.430 207 G HA2 -0.067 3.894 3.960 0.003 0.000 0.216 207 G HA3 -0.067 3.894 3.960 0.003 0.000 0.216 207 G C 1.598 176.312 174.900 -0.310 0.000 1.146 207 G CA 0.945 45.907 45.100 -0.231 0.000 0.793 207 G HN 0.655 nan 8.290 nan 0.000 0.537 208 S N -0.392 115.223 115.700 -0.141 0.000 2.427 208 S HA 0.290 4.761 4.470 0.003 0.000 0.224 208 S C 0.883 175.432 174.600 -0.085 0.000 1.047 208 S CA -0.129 58.001 58.200 -0.118 0.000 0.953 208 S CB -0.012 63.120 63.200 -0.114 0.000 0.824 208 S HN 0.077 nan 8.310 nan 0.000 0.502 209 L N 2.992 124.161 121.223 -0.090 0.000 2.387 209 L HA 0.609 4.950 4.340 0.003 0.000 0.259 209 L C -0.818 176.115 176.870 0.105 0.000 1.050 209 L CA -0.308 54.437 54.840 -0.158 0.000 0.922 209 L CB 0.593 42.239 42.059 -0.690 0.000 1.280 209 L HN 0.317 nan 8.230 nan 0.000 0.449 210 D N 1.281 121.806 120.400 0.209 0.000 3.650 210 D HA 0.170 4.811 4.640 0.003 0.000 0.341 210 D C -0.267 176.152 176.300 0.199 0.000 1.479 210 D CA -0.717 53.450 54.000 0.277 0.000 0.963 210 D CB 1.197 42.184 40.800 0.311 0.000 1.449 210 D HN 0.266 nan 8.370 nan 0.000 0.601 211 G N -0.101 108.793 108.800 0.157 0.000 2.391 211 G HA2 0.331 4.292 3.960 0.003 0.000 0.305 211 G HA3 0.331 4.292 3.960 0.003 0.000 0.305 211 G C -0.162 174.760 174.900 0.037 0.000 1.072 211 G CA 0.212 45.384 45.100 0.120 0.000 1.016 211 G HN 0.383 nan 8.290 nan 0.000 0.418 212 H N 2.443 121.545 119.070 0.052 0.000 3.367 212 H HA 0.323 4.881 4.556 0.003 0.000 0.257 212 H C -0.042 175.222 175.328 -0.106 0.000 1.201 212 H CA 0.004 56.048 56.048 -0.005 0.000 1.102 212 H CB 0.696 30.465 29.762 0.011 0.000 1.656 212 H HN 0.336 nan 8.280 nan 0.000 0.662 213 L N 0.468 121.627 121.223 -0.107 0.000 2.327 213 L HA 0.228 4.569 4.340 0.003 0.000 0.258 213 L C 0.117 176.789 176.870 -0.330 0.000 1.024 213 L CA -0.434 54.176 54.840 -0.384 0.000 0.825 213 L CB 2.207 43.633 42.059 -1.055 0.000 1.386 213 L HN 0.058 nan 8.230 nan 0.000 0.417 214 D N -1.891 118.323 120.400 -0.309 0.000 2.500 214 D HA 0.109 4.751 4.640 0.003 0.000 0.218 214 D C -0.051 176.175 176.300 -0.123 0.000 1.140 214 D CA -0.235 53.671 54.000 -0.156 0.000 0.830 214 D CB 0.358 41.106 40.800 -0.086 0.000 1.055 214 D HN 0.215 nan 8.370 nan 0.000 0.512 215 E N 0.215 120.294 120.200 -0.202 0.000 2.349 215 E HA 0.295 4.646 4.350 0.003 0.000 0.265 215 E C 0.614 177.301 176.600 0.144 0.000 1.064 215 E CA -0.333 56.048 56.400 -0.031 0.000 0.886 215 E CB 0.730 30.436 29.700 0.011 0.000 1.036 215 E HN -0.131 nan 8.360 nan 0.000 0.413 216 N N 0.989 119.804 118.700 0.192 0.000 2.309 216 N HA -0.080 4.662 4.740 0.003 0.000 0.182 216 N C -0.177 175.543 175.510 0.350 0.000 1.018 216 N CA 0.938 54.133 53.050 0.241 0.000 0.876 216 N CB 0.236 38.798 38.487 0.125 0.000 0.972 216 N HN 0.168 nan 8.380 nan 0.000 0.434 217 R N -0.158 120.577 120.500 0.390 0.000 2.604 217 R HA 0.190 4.532 4.340 0.003 0.000 0.281 217 R C -1.284 175.340 176.300 0.541 0.000 1.020 217 R CA -0.407 55.859 56.100 0.275 0.000 0.899 217 R CB 0.626 30.978 30.300 0.087 0.000 1.205 217 R HN 0.068 nan 8.270 nan 0.000 0.450 218 F N 4.046 124.003 119.950 0.011 0.000 2.814 218 F HA 0.107 4.635 4.527 0.002 0.000 0.326 218 F C 1.413 177.214 175.800 0.001 0.000 1.159 218 F CA -0.878 57.126 58.000 0.008 0.000 1.234 218 F CB 0.202 39.209 39.000 0.011 0.000 1.016 218 F HN 0.511 nan 8.300 nan 0.000 0.510 219 N N 2.738 121.480 118.700 0.071 0.000 1.864 219 N HA -0.402 4.340 4.740 0.003 0.000 0.124 219 N C 0.773 176.298 175.510 0.025 0.000 0.200 219 N CA 2.473 55.541 53.050 0.030 0.000 1.465 219 N CB -1.109 37.401 38.487 0.038 0.000 0.787 219 N HN 0.483 nan 8.380 nan 0.000 1.136 220 A N -0.490 122.360 122.820 0.050 0.000 2.674 220 A HA 0.706 5.027 4.320 0.003 0.000 0.286 220 A C 1.107 178.713 177.584 0.036 0.000 0.980 220 A CA 0.257 52.310 52.037 0.027 0.000 1.028 220 A CB -0.358 18.650 19.000 0.014 0.000 1.199 220 A HN 1.266 nan 8.150 nan 0.000 0.499 221 L N -2.132 119.131 121.223 0.067 0.000 5.044 221 L HA -0.312 4.030 4.340 0.003 0.000 0.412 221 L C 1.342 178.242 176.870 0.049 0.000 0.971 221 L CA 1.957 56.831 54.840 0.057 0.000 1.411 221 L CB -2.530 39.532 42.059 0.006 0.000 1.884 221 L HN 0.475 nan 8.230 nan 0.000 0.631 222 T N -1.635 112.953 114.554 0.057 0.000 3.022 222 T HA -0.341 4.010 4.350 0.003 0.000 0.252 222 T C 1.084 175.774 174.700 -0.017 0.000 1.020 222 T CA 2.206 64.320 62.100 0.023 0.000 1.177 222 T CB -1.333 67.555 68.868 0.033 0.000 0.801 222 T HN 0.786 nan 8.240 nan 0.000 0.515 223 T N 1.551 116.098 114.554 -0.012 0.000 4.029 223 T HA 0.474 4.826 4.350 0.003 0.000 0.226 223 T C 0.883 175.510 174.700 -0.122 0.000 0.838 223 T CA -0.221 61.834 62.100 -0.076 0.000 0.907 223 T CB -0.214 68.645 68.868 -0.015 0.000 1.296 223 T HN 0.565 nan 8.240 nan 0.000 0.711 224 G N -0.116 108.627 108.800 -0.095 0.000 2.535 224 G HA2 0.599 4.561 3.960 0.003 0.000 0.303 224 G HA3 0.599 4.561 3.960 0.003 0.000 0.303 224 G C 0.711 175.554 174.900 -0.094 0.000 1.237 224 G CA -0.447 44.606 45.100 -0.078 0.000 0.986 224 G HN 0.367 nan 8.290 nan 0.000 0.494 225 G N -1.228 107.536 108.800 -0.060 0.000 2.558 225 G HA2 0.211 4.173 3.960 0.003 0.000 0.218 225 G HA3 0.211 4.173 3.960 0.003 0.000 0.218 225 G C 0.342 175.230 174.900 -0.022 0.000 1.567 225 G CA -0.298 44.779 45.100 -0.038 0.000 0.950 225 G HN 0.413 nan 8.290 nan 0.000 0.517 226 L N 2.047 123.264 121.223 -0.010 0.000 2.319 226 L HA 0.327 4.669 4.340 0.003 0.000 0.280 226 L C 0.159 177.024 176.870 -0.007 0.000 1.099 226 L CA 0.115 54.953 54.840 -0.004 0.000 0.828 226 L CB 1.114 43.172 42.059 -0.002 0.000 1.150 226 L HN 0.125 nan 8.230 nan 0.000 0.442 227 S N 1.863 117.560 115.700 -0.005 0.000 2.499 227 S HA 0.111 4.582 4.470 0.003 0.000 0.275 227 S C 1.424 176.024 174.600 0.000 0.000 1.257 227 S CA -0.656 57.542 58.200 -0.002 0.000 1.050 227 S CB 1.369 64.569 63.200 -0.000 0.000 0.937 227 S HN 0.506 nan 8.310 nan 0.000 0.490 228 V N 4.019 123.934 119.914 0.002 0.000 2.324 228 V HA -0.207 3.914 4.120 0.003 0.000 0.250 228 V C 2.257 178.354 176.094 0.005 0.000 1.060 228 V CA 2.111 64.413 62.300 0.003 0.000 1.042 228 V CB -1.725 30.103 31.823 0.008 0.000 0.650 228 V HN 0.890 nan 8.190 nan 0.000 0.450 229 A N 0.566 123.390 122.820 0.007 0.000 1.881 229 A HA -0.368 3.953 4.320 0.003 0.000 0.219 229 A C 2.208 179.795 177.584 0.005 0.000 1.215 229 A CA 2.919 54.960 52.037 0.007 0.000 0.648 229 A CB -0.919 18.085 19.000 0.007 0.000 0.832 229 A HN 0.685 nan 8.150 nan 0.000 0.455 230 E N -1.169 119.033 120.200 0.004 0.000 2.371 230 E HA 0.017 4.368 4.350 0.003 0.000 0.194 230 E C 1.640 178.242 176.600 0.003 0.000 1.012 230 E CA 0.432 56.834 56.400 0.004 0.000 0.860 230 E CB -0.175 29.528 29.700 0.005 0.000 0.811 230 E HN 0.429 nan 8.360 nan 0.000 0.502 231 L N 0.283 121.507 121.223 0.001 0.000 2.093 231 L HA 0.054 4.396 4.340 0.003 0.000 0.208 231 L C 2.042 178.911 176.870 -0.002 0.000 1.085 231 L CA 2.017 56.856 54.840 -0.001 0.000 0.755 231 L CB -1.042 41.014 42.059 -0.004 0.000 0.904 231 L HN 0.129 nan 8.230 nan 0.000 0.435 232 A N -1.074 121.746 122.820 -0.001 0.000 1.997 232 A HA -0.272 4.049 4.320 0.003 0.000 0.221 232 A C 2.192 179.775 177.584 -0.002 0.000 1.172 232 A CA 2.290 54.327 52.037 -0.001 0.000 0.645 232 A CB -1.369 17.632 19.000 0.002 0.000 0.813 232 A HN 0.644 nan 8.150 nan 0.000 0.454 233 T N -3.773 110.781 114.554 -0.001 0.000 3.188 233 T HA 0.512 4.863 4.350 0.003 0.000 0.250 233 T C 1.334 176.032 174.700 -0.003 0.000 1.077 233 T CA 0.851 62.950 62.100 -0.001 0.000 0.967 233 T CB 0.050 68.919 68.868 0.000 0.000 1.006 233 T HN 0.489 nan 8.240 nan 0.000 0.552 234 A N 1.059 123.877 122.820 -0.004 0.000 2.119 234 A HA 0.397 4.719 4.320 0.003 0.000 0.217 234 A C 2.449 180.028 177.584 -0.008 0.000 1.153 234 A CA 0.949 52.983 52.037 -0.005 0.000 0.692 234 A CB -1.329 17.667 19.000 -0.005 0.000 0.799 234 A HN 0.597 nan 8.150 nan 0.000 0.458 235 G N 0.432 109.227 108.800 -0.008 0.000 2.553 235 G HA2 -0.215 3.747 3.960 0.003 0.000 0.218 235 G HA3 -0.215 3.747 3.960 0.003 0.000 0.218 235 G C 0.973 175.867 174.900 -0.011 0.000 1.195 235 G CA 0.994 46.088 45.100 -0.010 0.000 0.779 235 G HN 0.744 nan 8.290 nan 0.000 0.577 236 Q N 0.174 119.969 119.800 -0.009 0.000 2.241 236 Q HA 0.524 4.866 4.340 0.003 0.000 0.254 236 Q C -1.244 174.750 176.000 -0.011 0.000 0.917 236 Q CA -0.210 55.587 55.803 -0.010 0.000 0.919 236 Q CB 1.713 30.446 28.738 -0.008 0.000 1.237 236 Q HN 0.478 nan 8.270 nan 0.000 0.434 237 S N 0.129 115.821 115.700 -0.014 0.000 2.754 237 S HA 0.060 4.532 4.470 0.003 0.000 0.302 237 S C 0.324 174.911 174.600 -0.022 0.000 0.922 237 S CA -0.403 57.788 58.200 -0.016 0.000 0.822 237 S CB 0.044 63.235 63.200 -0.015 0.000 1.020 237 S HN 0.302 nan 8.310 nan 0.000 0.475 238 V N 1.020 120.918 119.914 -0.026 0.000 2.220 238 V HA 0.080 4.201 4.120 0.003 0.000 0.250 238 V C 1.493 177.563 176.094 -0.040 0.000 1.056 238 V CA 2.658 64.939 62.300 -0.033 0.000 1.016 238 V CB -0.993 30.808 31.823 -0.038 0.000 0.639 238 V HN 1.391 nan 8.190 nan 0.000 0.446 239 A N -1.132 121.659 122.820 -0.048 0.000 2.569 239 A HA 0.714 5.036 4.320 0.003 0.000 0.290 239 A C -0.308 177.248 177.584 -0.046 0.000 1.136 239 A CA 0.181 52.186 52.037 -0.053 0.000 0.710 239 A CB 1.724 20.681 19.000 -0.072 0.000 1.303 239 A HN 0.380 nan 8.150 nan 0.000 0.413 240 T N -0.224 114.306 114.554 -0.041 0.000 2.809 240 T HA 0.654 5.005 4.350 0.003 0.000 0.284 240 T C -0.629 174.059 174.700 -0.021 0.000 0.992 240 T CA -0.394 61.691 62.100 -0.025 0.000 0.957 240 T CB 0.326 69.183 68.868 -0.019 0.000 0.942 240 T HN 0.495 nan 8.240 nan 0.000 0.439 241 L N 3.253 124.479 121.223 0.006 0.000 2.292 241 L HA 0.606 4.947 4.340 0.003 0.000 0.284 241 L C -0.377 176.544 176.870 0.086 0.000 1.065 241 L CA -1.212 53.658 54.840 0.050 0.000 0.806 241 L CB 1.603 43.724 42.059 0.103 0.000 1.175 241 L HN 0.476 nan 8.230 nan 0.000 0.431 242 V N 4.627 124.587 119.914 0.077 0.000 2.334 242 V HA 0.234 4.356 4.120 0.003 0.000 0.281 242 V C 0.040 176.201 176.094 0.112 0.000 1.016 242 V CA -0.540 61.801 62.300 0.068 0.000 0.832 242 V CB 1.778 33.604 31.823 0.006 0.000 0.999 242 V HN 0.422 nan 8.190 nan 0.000 0.439 243 V N 4.779 124.758 119.914 0.108 0.000 2.288 243 V HA 0.820 4.941 4.120 0.003 0.000 0.266 243 V C 0.631 176.756 176.094 0.053 0.000 1.048 243 V CA 0.346 62.687 62.300 0.069 0.000 0.842 243 V CB 0.602 32.434 31.823 0.016 0.000 1.064 243 V HN 1.202 nan 8.190 nan 0.000 0.472 244 G N 3.942 112.781 108.800 0.065 0.000 3.438 244 G HA2 -0.124 3.838 3.960 0.003 0.000 0.684 244 G HA3 -0.124 3.838 3.960 0.003 0.000 0.684 244 G C -0.024 174.948 174.900 0.120 0.000 1.192 244 G CA 0.009 45.136 45.100 0.045 0.000 1.013 244 G HN 0.615 nan 8.290 nan 0.000 0.530 245 Q N 1.290 121.168 119.800 0.129 0.000 2.297 245 Q HA -0.137 4.205 4.340 0.003 0.000 0.208 245 Q C 2.742 178.823 176.000 0.135 0.000 0.981 245 Q CA 2.314 58.240 55.803 0.206 0.000 0.876 245 Q CB -0.077 28.741 28.738 0.133 0.000 0.921 245 Q HN 1.307 nan 8.270 nan 0.000 0.446 246 S N -0.444 115.313 115.700 0.096 0.000 2.440 246 S HA -0.128 4.344 4.470 0.003 0.000 0.238 246 S C 1.406 176.059 174.600 0.089 0.000 1.010 246 S CA 0.779 59.034 58.200 0.092 0.000 0.972 246 S CB -0.184 63.080 63.200 0.108 0.000 0.774 246 S HN 0.494 nan 8.310 nan 0.000 0.501 247 L N 0.718 121.998 121.223 0.095 0.000 2.685 247 L HA 0.370 4.712 4.340 0.003 0.000 0.233 247 L C 2.402 179.297 176.870 0.041 0.000 1.173 247 L CA 0.280 55.160 54.840 0.066 0.000 0.961 247 L CB -0.520 41.585 42.059 0.076 0.000 1.217 247 L HN 0.427 nan 8.230 nan 0.000 0.478 248 A N 0.644 123.495 122.820 0.051 0.000 1.855 248 A HA -0.101 4.221 4.320 0.003 0.000 0.215 248 A C 2.332 179.918 177.584 0.003 0.000 1.191 248 A CA 1.662 53.714 52.037 0.025 0.000 0.613 248 A CB -0.921 18.111 19.000 0.052 0.000 0.829 248 A HN 0.431 nan 8.150 nan 0.000 0.442 249 G N -0.856 107.949 108.800 0.007 0.000 2.499 249 G HA2 0.009 3.971 3.960 0.003 0.000 0.221 249 G HA3 0.009 3.971 3.960 0.003 0.000 0.221 249 G C 1.459 176.348 174.900 -0.019 0.000 1.109 249 G CA 1.463 46.558 45.100 -0.007 0.000 0.749 249 G HN 0.831 nan 8.290 nan 0.000 0.568 250 A N 0.459 123.268 122.820 -0.018 0.000 1.997 250 A HA 0.610 4.932 4.320 0.003 0.000 0.212 250 A C 2.676 180.244 177.584 -0.026 0.000 1.178 250 A CA 1.386 53.405 52.037 -0.030 0.000 0.698 250 A CB -0.396 18.580 19.000 -0.040 0.000 0.842 250 A HN 0.593 nan 8.150 nan 0.000 0.458 251 A N 0.647 123.454 122.820 -0.021 0.000 1.972 251 A HA -0.167 4.154 4.320 0.003 0.000 0.219 251 A C 1.652 179.215 177.584 -0.035 0.000 1.169 251 A CA 1.806 53.825 52.037 -0.030 0.000 0.635 251 A CB -0.452 18.523 19.000 -0.042 0.000 0.810 251 A HN 0.476 nan 8.150 nan 0.000 0.446 252 D N 0.379 120.760 120.400 -0.032 0.000 2.097 252 D HA -0.047 4.595 4.640 0.003 0.000 0.197 252 D C 2.307 178.590 176.300 -0.028 0.000 0.984 252 D CA 1.496 55.478 54.000 -0.030 0.000 0.826 252 D CB -0.648 40.136 40.800 -0.025 0.000 0.973 252 D HN 0.409 nan 8.370 nan 0.000 0.460 253 A N 2.324 125.127 122.820 -0.028 0.000 1.851 253 A HA -0.166 4.156 4.320 0.003 0.000 0.216 253 A C 2.187 179.755 177.584 -0.028 0.000 1.195 253 A CA 1.184 53.204 52.037 -0.028 0.000 0.622 253 A CB -1.013 17.968 19.000 -0.032 0.000 0.831 253 A HN 0.262 nan 8.150 nan 0.000 0.444 254 L N -0.334 120.872 121.223 -0.028 0.000 2.021 254 L HA -0.251 4.090 4.340 0.003 0.000 0.215 254 L C 2.551 179.406 176.870 -0.026 0.000 1.074 254 L CA 2.983 57.807 54.840 -0.026 0.000 0.760 254 L CB -1.304 40.740 42.059 -0.025 0.000 0.889 254 L HN 0.429 nan 8.230 nan 0.000 0.433 255 A N -0.672 122.131 122.820 -0.028 0.000 1.929 255 A HA -0.119 4.203 4.320 0.003 0.000 0.216 255 A C 1.939 179.507 177.584 -0.026 0.000 1.176 255 A CA 1.012 53.032 52.037 -0.030 0.000 0.628 255 A CB -0.291 18.687 19.000 -0.036 0.000 0.816 255 A HN 0.560 nan 8.150 nan 0.000 0.444 256 E N 0.760 120.945 120.200 -0.025 0.000 2.072 256 E HA -0.201 4.151 4.350 0.003 0.000 0.191 256 E C 2.180 178.768 176.600 -0.020 0.000 0.985 256 E CA 1.528 57.914 56.400 -0.022 0.000 0.801 256 E CB -0.537 29.150 29.700 -0.022 0.000 0.750 256 E HN 0.842 nan 8.360 nan 0.000 0.452 257 R N 1.122 121.610 120.500 -0.020 0.000 2.115 257 R HA 0.001 4.343 4.340 0.003 0.000 0.226 257 R C 1.637 177.927 176.300 -0.017 0.000 1.100 257 R CA 1.317 57.406 56.100 -0.018 0.000 0.980 257 R CB -0.800 29.489 30.300 -0.018 0.000 0.875 257 R HN 0.225 nan 8.270 nan 0.000 0.445 258 T N -3.267 111.276 114.554 -0.018 0.000 2.876 258 T HA 0.522 4.874 4.350 0.003 0.000 0.277 258 T C 0.986 175.674 174.700 -0.019 0.000 0.997 258 T CA -0.338 61.752 62.100 -0.017 0.000 0.966 258 T CB 1.881 70.739 68.868 -0.018 0.000 1.312 258 T HN 0.121 nan 8.240 nan 0.000 0.598 259 G N -0.207 108.582 108.800 -0.019 0.000 3.192 259 G HA2 0.370 4.332 3.960 0.003 0.000 0.239 259 G HA3 0.370 4.332 3.960 0.003 0.000 0.239 259 G C 0.165 175.051 174.900 -0.024 0.000 1.084 259 G CA -0.225 44.863 45.100 -0.021 0.000 0.784 259 G HN 0.773 nan 8.290 nan 0.000 0.540 260 V N 2.705 122.604 119.914 -0.024 0.000 2.509 260 V HA 0.138 4.260 4.120 0.003 0.000 0.297 260 V C -1.942 174.132 176.094 -0.033 0.000 1.014 260 V CA -1.093 61.191 62.300 -0.028 0.000 1.127 260 V CB 0.469 32.277 31.823 -0.026 0.000 0.925 260 V HN 0.119 nan 8.190 nan 0.000 0.480 261 P HA 0.273 nan 4.420 nan 0.000 0.287 261 P C -0.548 176.721 177.300 -0.052 0.000 1.294 261 P CA -0.378 62.696 63.100 -0.043 0.000 0.776 261 P CB 0.555 32.230 31.700 -0.042 0.000 0.889 262 D N 3.534 123.899 120.400 -0.058 0.000 2.341 262 D HA 0.179 4.820 4.640 0.003 0.000 0.245 262 D C 0.084 176.335 176.300 -0.082 0.000 1.106 262 D CA 0.062 54.022 54.000 -0.068 0.000 0.905 262 D CB 1.422 42.173 40.800 -0.081 0.000 1.202 262 D HN 0.294 nan 8.370 nan 0.000 0.426 263 R N 1.020 121.474 120.500 -0.078 0.000 2.545 263 R HA 0.186 4.528 4.340 0.003 0.000 0.289 263 R C -0.517 175.746 176.300 -0.062 0.000 1.327 263 R CA -0.588 55.464 56.100 -0.080 0.000 1.040 263 R CB 0.937 31.194 30.300 -0.072 0.000 1.176 263 R HN 0.488 nan 8.270 nan 0.000 0.518 264 R N 2.066 122.482 120.500 -0.139 0.000 2.758 264 R HA 0.672 5.013 4.340 0.003 0.000 0.265 264 R C -0.554 175.754 176.300 0.014 0.000 1.016 264 R CA -0.570 55.457 56.100 -0.122 0.000 1.040 264 R CB 0.871 30.999 30.300 -0.288 0.000 1.152 264 R HN 0.238 nan 8.270 nan 0.000 0.503 265 F N -1.539 118.434 119.950 0.039 0.000 3.039 265 F HA 0.073 4.602 4.527 0.002 0.000 0.290 265 F C 0.071 175.847 175.800 -0.039 0.000 0.795 265 F CA 0.143 58.145 58.000 0.002 0.000 0.858 265 F CB -0.965 38.035 39.000 0.000 0.000 3.495 265 F HN 0.818 nan 8.300 nan 0.000 0.206 266 G N 2.130 111.014 108.800 0.141 0.000 2.562 266 G HA2 0.301 4.263 3.960 0.003 0.000 0.233 266 G HA3 0.301 4.263 3.960 0.003 0.000 0.233 266 G C 0.015 174.798 174.900 -0.195 0.000 1.266 266 G CA -0.135 44.901 45.100 -0.107 0.000 0.852 266 G HN 0.410 nan 8.290 nan 0.000 0.581 267 M N 0.456 119.848 119.600 -0.347 0.000 2.240 267 M HA -0.012 4.469 4.480 0.003 0.000 0.346 267 M C 0.787 176.727 176.300 -0.600 0.000 1.236 267 M CA 0.129 55.060 55.300 -0.614 0.000 0.986 267 M CB 0.085 32.073 32.600 -1.021 0.000 1.786 267 M HN 0.325 nan 8.290 nan 0.000 0.457 268 L N 6.982 127.909 121.223 -0.493 0.000 2.437 268 L HA 0.126 4.468 4.340 0.003 0.000 0.243 268 L C -1.039 175.843 176.870 0.019 0.000 1.346 268 L CA -0.376 54.295 54.840 -0.281 0.000 1.233 268 L CB -1.252 40.571 42.059 -0.392 0.000 1.436 268 L HN 0.440 nan 8.230 nan 0.000 0.416 269 Y N 0.443 120.614 120.300 -0.214 0.000 2.393 269 Y HA 0.757 5.308 4.550 0.003 0.000 0.341 269 Y C 0.842 176.667 175.900 -0.125 0.000 0.988 269 Y CA -1.418 56.571 58.100 -0.184 0.000 1.078 269 Y CB 1.660 39.993 38.460 -0.212 0.000 1.203 269 Y HN 0.463 nan 8.280 nan 0.000 0.453 270 G N 1.557 110.387 108.800 0.050 0.000 2.710 270 G HA2 -0.188 3.773 3.960 0.003 0.000 0.668 270 G HA3 -0.188 3.773 3.960 0.003 0.000 0.668 270 G C 0.301 175.229 174.900 0.046 0.000 1.320 270 G CA -0.367 44.756 45.100 0.040 0.000 0.860 270 G HN 0.637 nan 8.290 nan 0.000 0.538 271 L N 0.092 121.369 121.223 0.089 0.000 1.921 271 L HA -0.096 4.245 4.340 0.003 0.000 0.219 271 L C 2.876 179.809 176.870 0.105 0.000 1.081 271 L CA 2.320 57.250 54.840 0.151 0.000 0.771 271 L CB -0.745 41.389 42.059 0.126 0.000 0.888 271 L HN 0.773 nan 8.230 nan 0.000 0.433 272 D N 0.249 120.694 120.400 0.075 0.000 2.154 272 D HA -0.281 4.361 4.640 0.003 0.000 0.190 272 D C 2.027 178.357 176.300 0.050 0.000 1.003 272 D CA 1.811 55.849 54.000 0.062 0.000 0.849 272 D CB -0.322 40.503 40.800 0.043 0.000 0.942 272 D HN 0.440 nan 8.370 nan 0.000 0.446 273 A N 0.715 123.547 122.820 0.021 0.000 1.917 273 A HA -0.171 4.150 4.320 0.003 0.000 0.219 273 A C 2.614 180.203 177.584 0.008 0.000 1.182 273 A CA 2.126 54.163 52.037 -0.001 0.000 0.633 273 A CB -0.668 18.305 19.000 -0.045 0.000 0.819 273 A HN 0.222 nan 8.150 nan 0.000 0.448 274 V N -0.249 119.630 119.914 -0.058 0.000 2.535 274 V HA -0.122 3.999 4.120 0.003 0.000 0.246 274 V C 2.015 178.117 176.094 0.012 0.000 1.045 274 V CA 1.542 63.763 62.300 -0.131 0.000 1.058 274 V CB -0.945 30.506 31.823 -0.619 0.000 0.689 274 V HN 0.384 nan 8.190 nan 0.000 0.461 275 D N 1.718 122.171 120.400 0.088 0.000 2.177 275 D HA -0.240 4.402 4.640 0.003 0.000 0.189 275 D C 2.212 178.595 176.300 0.138 0.000 1.002 275 D CA 2.280 56.386 54.000 0.176 0.000 0.845 275 D CB -0.519 40.378 40.800 0.161 0.000 0.960 275 D HN 0.423 nan 8.370 nan 0.000 0.447 276 A N -0.586 122.305 122.820 0.118 0.000 2.019 276 A HA -0.162 4.159 4.320 0.003 0.000 0.219 276 A C 2.075 179.737 177.584 0.129 0.000 1.164 276 A CA 1.260 53.361 52.037 0.106 0.000 0.644 276 A CB -1.014 18.047 19.000 0.102 0.000 0.805 276 A HN 0.383 nan 8.150 nan 0.000 0.449 277 W N 0.487 121.762 121.300 -0.042 0.000 2.381 277 W HA -0.075 4.587 4.660 0.003 0.000 0.301 277 W C 1.915 178.363 176.519 -0.120 0.000 1.205 277 W CA 1.609 58.909 57.345 -0.076 0.000 1.285 277 W CB -0.379 29.037 29.460 -0.074 0.000 1.133 277 W HN 0.264 nan 8.180 nan 0.000 0.521 278 L N -0.592 120.672 121.223 0.069 0.000 2.027 278 L HA -0.288 4.054 4.340 0.003 0.000 0.206 278 L C 2.487 179.278 176.870 -0.131 0.000 1.074 278 L CA 0.991 55.805 54.840 -0.044 0.000 0.745 278 L CB -1.117 41.085 42.059 0.238 0.000 0.898 278 L HN -0.051 nan 8.230 nan 0.000 0.433 279 M N 0.269 119.861 119.600 -0.013 0.000 2.088 279 M HA -0.248 4.234 4.480 0.003 0.000 0.256 279 M C 2.557 178.779 176.300 -0.130 0.000 1.071 279 M CA 2.275 57.560 55.300 -0.026 0.000 1.097 279 M CB -1.624 30.986 32.600 0.017 0.000 1.315 279 M HN 0.313 nan 8.290 nan 0.000 0.406 280 A N -0.724 121.989 122.820 -0.179 0.000 2.076 280 A HA -0.123 4.198 4.320 0.003 0.000 0.220 280 A C 2.392 179.753 177.584 -0.372 0.000 1.160 280 A CA 1.305 53.204 52.037 -0.230 0.000 0.653 280 A CB -0.810 18.058 19.000 -0.221 0.000 0.801 280 A HN 0.502 nan 8.150 nan 0.000 0.455 281 L N -1.534 119.341 121.223 -0.581 0.000 2.162 281 L HA -0.024 4.318 4.340 0.003 0.000 0.205 281 L C 3.003 179.476 176.870 -0.662 0.000 1.086 281 L CA 0.767 55.091 54.840 -0.860 0.000 0.778 281 L CB -0.342 40.807 42.059 -1.516 0.000 0.928 281 L HN 0.408 nan 8.230 nan 0.000 0.446 282 A N -0.325 122.270 122.820 -0.375 0.000 1.933 282 A HA -0.252 4.070 4.320 0.003 0.000 0.218 282 A C 2.179 179.765 177.584 0.003 0.000 1.175 282 A CA 1.812 53.886 52.037 0.061 0.000 0.628 282 A CB -0.369 18.743 19.000 0.186 0.000 0.814 282 A HN 0.448 nan 8.150 nan 0.000 0.444 283 E N -0.380 119.778 120.200 -0.071 0.000 2.046 283 E HA -0.094 4.257 4.350 0.003 0.000 0.190 283 E C 1.814 178.373 176.600 -0.069 0.000 0.982 283 E CA 0.879 57.246 56.400 -0.055 0.000 0.800 283 E CB -0.184 29.476 29.700 -0.066 0.000 0.756 283 E HN 0.609 nan 8.360 nan 0.000 0.449 284 I N 0.179 120.675 120.570 -0.124 0.000 2.423 284 I HA -0.206 3.965 4.170 0.003 0.000 0.254 284 I C 2.064 178.137 176.117 -0.074 0.000 1.151 284 I CA 0.922 62.153 61.300 -0.116 0.000 1.421 284 I CB 0.106 38.000 38.000 -0.177 0.000 1.079 284 I HN 0.057 nan 8.210 nan 0.000 0.431 285 S N -1.205 114.466 115.700 -0.049 0.000 2.666 285 S HA 0.294 4.765 4.470 0.003 0.000 0.239 285 S C 1.227 175.855 174.600 0.046 0.000 1.031 285 S CA 0.457 58.664 58.200 0.013 0.000 1.015 285 S CB 0.294 63.531 63.200 0.062 0.000 0.981 285 S HN 0.631 nan 8.310 nan 0.000 0.547 286 G N 2.944 111.767 108.800 0.038 0.000 3.639 286 G HA2 -0.389 3.572 3.960 0.003 0.000 0.224 286 G HA3 -0.389 3.572 3.960 0.003 0.000 0.224 286 G C 0.120 175.062 174.900 0.070 0.000 1.339 286 G CA 0.394 45.519 45.100 0.043 0.000 0.933 286 G HN 0.763 nan 8.290 nan 0.000 0.568 287 N N 2.921 121.672 118.700 0.085 0.000 2.273 287 N HA 0.347 5.088 4.740 0.003 0.000 0.227 287 N C -2.369 173.213 175.510 0.119 0.000 1.292 287 N CA -0.148 52.948 53.050 0.076 0.000 0.875 287 N CB 0.454 38.971 38.487 0.050 0.000 1.105 287 N HN 0.460 nan 8.380 nan 0.000 0.434 288 P HA 0.105 nan 4.420 nan 0.000 0.284 288 P C -0.350 176.934 177.300 -0.026 0.000 1.287 288 P CA -0.635 62.503 63.100 0.064 0.000 0.824 288 P CB 0.827 32.540 31.700 0.022 0.000 1.180 289 V N -2.427 117.534 119.914 0.079 0.000 2.450 289 V HA 0.179 4.301 4.120 0.003 0.000 0.281 289 V C -2.269 173.779 176.094 -0.077 0.000 1.019 289 V CA -1.647 60.688 62.300 0.058 0.000 1.062 289 V CB -1.215 30.770 31.823 0.271 0.000 0.979 289 V HN 0.413 nan 8.190 nan 0.000 0.477 290 P HA 0.044 nan 4.420 nan 0.000 0.266 290 P C 0.488 177.721 177.300 -0.112 0.000 1.186 290 P CA 0.155 63.134 63.100 -0.201 0.000 0.767 290 P CB 0.483 32.024 31.700 -0.265 0.000 0.820 291 D N 2.058 122.392 120.400 -0.110 0.000 2.228 291 D HA -0.164 4.478 4.640 0.003 0.000 0.203 291 D C 1.808 178.044 176.300 -0.107 0.000 0.988 291 D CA 1.282 55.234 54.000 -0.080 0.000 0.864 291 D CB -0.113 40.645 40.800 -0.070 0.000 0.928 291 D HN 0.424 nan 8.370 nan 0.000 0.469 292 R N -0.098 120.275 120.500 -0.212 0.000 2.082 292 R HA -0.166 4.176 4.340 0.003 0.000 0.234 292 R C 2.153 178.324 176.300 -0.216 0.000 1.136 292 R CA 1.188 57.112 56.100 -0.294 0.000 0.935 292 R CB -0.556 29.432 30.300 -0.520 0.000 0.842 292 R HN 0.319 nan 8.270 nan 0.000 0.430 293 Y N 1.123 121.485 120.300 0.104 0.000 2.583 293 Y HA 0.017 4.569 4.550 0.002 0.000 0.293 293 Y C 1.982 177.918 175.900 0.060 0.000 1.157 293 Y CA 0.395 58.609 58.100 0.191 0.000 1.315 293 Y CB -0.102 38.584 38.460 0.377 0.000 1.021 293 Y HN -0.072 nan 8.280 nan 0.000 0.536 294 K N 0.256 120.715 120.400 0.098 0.000 2.167 294 K HA -0.080 4.241 4.320 0.003 0.000 0.203 294 K C 2.124 178.697 176.600 -0.046 0.000 1.052 294 K CA 0.733 57.035 56.287 0.026 0.000 0.956 294 K CB -0.093 32.417 32.500 0.017 0.000 0.735 294 K HN 0.321 nan 8.250 nan 0.000 0.451 295 R N 1.543 122.017 120.500 -0.043 0.000 2.093 295 R HA -0.058 4.283 4.340 0.003 0.000 0.224 295 R C 2.097 178.347 176.300 -0.083 0.000 1.101 295 R CA 1.043 57.111 56.100 -0.053 0.000 0.979 295 R CB 0.135 30.412 30.300 -0.039 0.000 0.877 295 R HN 0.197 nan 8.270 nan 0.000 0.441 296 Q N -0.189 119.561 119.800 -0.083 0.000 2.123 296 Q HA -0.139 4.203 4.340 0.003 0.000 0.199 296 Q C 2.157 177.922 176.000 -0.391 0.000 0.966 296 Q CA 1.225 56.972 55.803 -0.092 0.000 0.845 296 Q CB -0.103 28.731 28.738 0.159 0.000 0.907 296 Q HN 0.264 nan 8.270 nan 0.000 0.439 297 R N 0.497 120.511 120.500 -0.810 0.000 2.105 297 R HA -0.162 4.180 4.340 0.003 0.000 0.239 297 R C 2.075 178.181 176.300 -0.323 0.000 1.135 297 R CA 1.262 56.803 56.100 -0.931 0.000 0.967 297 R CB -0.163 29.686 30.300 -0.751 0.000 0.861 297 R HN 0.242 nan 8.270 nan 0.000 0.442 298 A N 0.314 123.015 122.820 -0.199 0.000 1.929 298 A HA -0.158 4.164 4.320 0.003 0.000 0.216 298 A C 1.966 179.515 177.584 -0.057 0.000 1.176 298 A CA 1.062 53.044 52.037 -0.092 0.000 0.628 298 A CB -0.270 18.696 19.000 -0.058 0.000 0.816 298 A HN 0.441 nan 8.150 nan 0.000 0.444 299 Q N -1.015 118.749 119.800 -0.060 0.000 2.046 299 Q HA -0.147 4.195 4.340 0.003 0.000 0.200 299 Q C 2.096 178.091 176.000 -0.009 0.000 0.975 299 Q CA 1.376 57.175 55.803 -0.007 0.000 0.836 299 Q CB -0.373 28.374 28.738 0.015 0.000 0.896 299 Q HN 0.561 nan 8.270 nan 0.000 0.428 300 L N 1.324 122.521 121.223 -0.043 0.000 2.012 300 L HA -0.235 4.106 4.340 0.003 0.000 0.210 300 L C 2.026 178.883 176.870 -0.021 0.000 1.073 300 L CA 1.890 56.715 54.840 -0.024 0.000 0.748 300 L CB -0.641 41.455 42.059 0.061 0.000 0.891 300 L HN 0.184 nan 8.230 nan 0.000 0.431 301 Q N -0.968 118.819 119.800 -0.022 0.000 2.170 301 Q HA -0.249 4.092 4.340 0.003 0.000 0.203 301 Q C 1.877 177.880 176.000 0.005 0.000 0.976 301 Q CA 1.780 57.578 55.803 -0.008 0.000 0.858 301 Q CB -0.185 28.545 28.738 -0.014 0.000 0.907 301 Q HN 0.654 nan 8.270 nan 0.000 0.433 302 D N -0.033 120.377 120.400 0.017 0.000 2.149 302 D HA -0.078 4.564 4.640 0.003 0.000 0.201 302 D C 1.711 178.061 176.300 0.082 0.000 0.972 302 D CA 1.103 55.135 54.000 0.052 0.000 0.835 302 D CB 0.028 40.867 40.800 0.064 0.000 0.966 302 D HN 0.232 nan 8.370 nan 0.000 0.476 303 A N -0.187 122.668 122.820 0.058 0.000 2.015 303 A HA -0.105 4.216 4.320 0.003 0.000 0.219 303 A C 2.153 179.741 177.584 0.007 0.000 1.163 303 A CA 1.105 53.163 52.037 0.034 0.000 0.646 303 A CB -0.545 18.296 19.000 -0.265 0.000 0.806 303 A HN 0.306 nan 8.150 nan 0.000 0.448 304 M N -0.856 118.742 119.600 -0.003 0.000 2.236 304 M HA 0.019 4.501 4.480 0.003 0.000 0.266 304 M C 1.977 178.300 176.300 0.039 0.000 1.070 304 M CA 1.063 56.366 55.300 0.005 0.000 1.137 304 M CB -0.392 32.201 32.600 -0.012 0.000 1.378 304 M HN 0.327 nan 8.290 nan 0.000 0.426 305 L N 0.073 121.323 121.223 0.045 0.000 2.046 305 L HA -0.224 4.117 4.340 0.003 0.000 0.208 305 L C 1.842 178.789 176.870 0.129 0.000 1.077 305 L CA 0.997 55.881 54.840 0.073 0.000 0.747 305 L CB -0.711 41.381 42.059 0.054 0.000 0.896 305 L HN 0.267 nan 8.230 nan 0.000 0.432 306 D N -0.891 119.609 120.400 0.168 0.000 2.183 306 D HA -0.119 4.523 4.640 0.003 0.000 0.203 306 D C 2.063 178.514 176.300 0.251 0.000 0.969 306 D CA 1.734 55.888 54.000 0.257 0.000 0.842 306 D CB -0.073 40.873 40.800 0.244 0.000 0.957 306 D HN 0.381 nan 8.370 nan 0.000 0.484 307 T N -2.116 112.531 114.554 0.155 0.000 3.086 307 T HA -0.002 4.350 4.350 0.003 0.000 0.250 307 T C 1.615 176.333 174.700 0.029 0.000 1.074 307 T CA 0.214 62.386 62.100 0.121 0.000 0.988 307 T CB -0.299 68.632 68.868 0.105 0.000 0.988 307 T HN 0.260 nan 8.240 nan 0.000 0.530 308 H N 0.920 119.926 119.070 -0.107 0.000 2.387 308 H HA 0.049 4.606 4.556 0.003 0.000 0.299 308 H C 1.489 176.707 175.328 -0.183 0.000 1.090 308 H CA 1.245 57.169 56.048 -0.206 0.000 1.332 308 H CB -1.037 28.532 29.762 -0.322 0.000 1.386 308 H HN 0.359 nan 8.280 nan 0.000 0.516 309 F N 1.363 120.848 119.950 -0.775 0.000 2.091 309 F HA -0.285 4.244 4.527 0.002 0.000 0.299 309 F C 2.710 178.397 175.800 -0.188 0.000 1.103 309 F CA 1.883 59.589 58.000 -0.490 0.000 1.228 309 F CB -0.516 38.253 39.000 -0.386 0.000 0.984 309 F HN 0.308 nan 8.300 nan 0.000 0.477 310 M N -0.613 119.031 119.600 0.073 0.000 2.248 310 M HA 0.056 4.538 4.480 0.003 0.000 0.265 310 M C 2.032 178.346 176.300 0.023 0.000 1.079 310 M CA 1.718 57.039 55.300 0.034 0.000 1.150 310 M CB -1.429 31.189 32.600 0.030 0.000 1.366 310 M HN 0.245 nan 8.290 nan 0.000 0.433 311 L N 0.765 122.000 121.223 0.021 0.000 2.270 311 L HA 0.105 4.447 4.340 0.003 0.000 0.210 311 L C 1.551 178.424 176.870 0.004 0.000 1.104 311 L CA -0.032 54.815 54.840 0.012 0.000 0.804 311 L CB -0.493 41.571 42.059 0.008 0.000 0.937 311 L HN 0.276 nan 8.230 nan 0.000 0.450 312 S N 0.097 115.808 115.700 0.019 0.000 2.670 312 S HA -0.014 4.457 4.470 0.003 0.000 0.308 312 S C 1.132 175.742 174.600 0.017 0.000 1.232 312 S CA 0.678 58.887 58.200 0.016 0.000 1.126 312 S CB -0.048 63.200 63.200 0.079 0.000 0.897 312 S HN 0.389 nan 8.310 nan 0.000 0.508 313 S N 1.973 117.653 115.700 -0.034 0.000 3.091 313 S HA -0.183 4.288 4.470 0.003 0.000 0.275 313 S C 0.287 174.960 174.600 0.123 0.000 1.306 313 S CA 0.459 58.694 58.200 0.059 0.000 1.083 313 S CB -2.076 61.206 63.200 0.137 0.000 1.313 313 S HN 1.706 nan 8.310 nan 0.000 0.673 314 A N 0.998 123.848 122.820 0.051 0.000 2.546 314 A HA 0.501 4.823 4.320 0.003 0.000 0.243 314 A C 0.444 178.082 177.584 0.091 0.000 1.063 314 A CA 0.479 52.551 52.037 0.059 0.000 0.757 314 A CB 0.110 19.123 19.000 0.023 0.000 0.991 314 A HN 0.525 nan 8.150 nan 0.000 0.503 315 R N 1.722 122.276 120.500 0.090 0.000 2.316 315 R HA 0.411 4.753 4.340 0.003 0.000 0.314 315 R C 0.567 176.887 176.300 0.034 0.000 1.069 315 R CA 0.720 56.866 56.100 0.077 0.000 0.959 315 R CB 0.664 30.998 30.300 0.058 0.000 0.987 315 R HN 0.842 nan 8.270 nan 0.000 0.446 316 T N -0.839 113.731 114.554 0.028 0.000 2.942 316 T HA 0.856 5.207 4.350 0.003 0.000 0.289 316 T C -0.579 174.114 174.700 -0.011 0.000 1.044 316 T CA -1.060 61.034 62.100 -0.010 0.000 1.023 316 T CB 2.183 71.037 68.868 -0.023 0.000 1.123 316 T HN 0.478 nan 8.240 nan 0.000 0.512 317 A N 1.620 124.417 122.820 -0.038 0.000 2.408 317 A HA 0.750 5.071 4.320 0.003 0.000 0.295 317 A C -0.893 176.655 177.584 -0.060 0.000 1.040 317 A CA -0.910 51.107 52.037 -0.033 0.000 0.707 317 A CB 0.909 19.892 19.000 -0.029 0.000 1.235 317 A HN 0.888 nan 8.150 nan 0.000 0.418 318 I N 1.732 122.274 120.570 -0.047 0.000 2.465 318 I HA 0.617 4.788 4.170 0.003 0.000 0.291 318 I C 0.246 176.342 176.117 -0.036 0.000 1.014 318 I CA -0.654 60.606 61.300 -0.066 0.000 1.093 318 I CB 2.231 40.204 38.000 -0.045 0.000 1.267 318 I HN 0.742 nan 8.210 nan 0.000 0.431 319 A N 5.476 128.269 122.820 -0.045 0.000 2.586 319 A HA 0.887 5.208 4.320 0.003 0.000 0.320 319 A C -0.497 177.082 177.584 -0.009 0.000 1.281 319 A CA -0.302 51.723 52.037 -0.019 0.000 0.775 319 A CB 0.760 19.747 19.000 -0.022 0.000 1.122 319 A HN 0.847 nan 8.150 nan 0.000 0.470 320 A N 1.752 124.581 122.820 0.015 0.000 2.602 320 A HA 0.724 5.046 4.320 0.003 0.000 0.290 320 A C -1.207 176.404 177.584 0.046 0.000 1.114 320 A CA -0.755 51.302 52.037 0.033 0.000 0.683 320 A CB 0.661 19.701 19.000 0.068 0.000 1.281 320 A HN 0.521 nan 8.150 nan 0.000 0.416 321 D N 1.072 121.504 120.400 0.053 0.000 2.419 321 D HA 0.220 4.861 4.640 0.003 0.000 0.236 321 D C -1.486 174.844 176.300 0.049 0.000 1.165 321 D CA -0.914 53.124 54.000 0.063 0.000 0.882 321 D CB 0.419 41.273 40.800 0.091 0.000 1.201 321 D HN 0.147 nan 8.370 nan 0.000 0.443 322 P HA -0.153 nan 4.420 nan 0.000 0.216 322 P C 0.788 178.088 177.300 -0.001 0.000 1.153 322 P CA 1.174 64.287 63.100 0.023 0.000 0.858 322 P CB 0.326 32.040 31.700 0.022 0.000 0.789 323 D N -0.492 119.903 120.400 -0.008 0.000 2.088 323 D HA -0.128 4.514 4.640 0.003 0.000 0.191 323 D C 2.128 178.362 176.300 -0.109 0.000 0.992 323 D CA 1.113 55.074 54.000 -0.064 0.000 0.831 323 D CB -0.893 39.874 40.800 -0.054 0.000 0.973 323 D HN 0.133 nan 8.370 nan 0.000 0.447 324 L N 0.743 121.922 121.223 -0.074 0.000 2.089 324 L HA -0.200 4.142 4.340 0.003 0.000 0.213 324 L C 2.665 179.599 176.870 0.106 0.000 1.079 324 L CA 0.588 55.399 54.840 -0.049 0.000 0.758 324 L CB -0.383 41.718 42.059 0.071 0.000 0.891 324 L HN 0.103 nan 8.230 nan 0.000 0.433 325 L N -0.251 121.029 121.223 0.095 0.000 1.955 325 L HA -0.270 4.072 4.340 0.003 0.000 0.213 325 L C 2.541 179.459 176.870 0.081 0.000 1.072 325 L CA 1.593 56.503 54.840 0.117 0.000 0.755 325 L CB -0.194 41.900 42.059 0.057 0.000 0.888 325 L HN 0.230 nan 8.230 nan 0.000 0.432 326 L N -0.732 120.487 121.223 -0.006 0.000 2.079 326 L HA -0.166 4.175 4.340 0.003 0.000 0.210 326 L C 2.602 179.421 176.870 -0.084 0.000 1.081 326 L CA 1.345 56.153 54.840 -0.053 0.000 0.752 326 L CB -1.457 40.537 42.059 -0.108 0.000 0.896 326 L HN 0.432 nan 8.230 nan 0.000 0.433 327 G N -0.467 108.231 108.800 -0.171 0.000 2.408 327 G HA2 -0.234 3.728 3.960 0.003 0.000 0.217 327 G HA3 -0.234 3.728 3.960 0.003 0.000 0.217 327 G C 1.333 176.231 174.900 -0.003 0.000 1.150 327 G CA 0.326 45.235 45.100 -0.318 0.000 0.776 327 G HN 0.198 nan 8.290 nan 0.000 0.542 328 F N 0.638 120.667 119.950 0.132 0.000 2.473 328 F HA 0.151 4.680 4.527 0.002 0.000 0.294 328 F C 2.172 178.007 175.800 0.058 0.000 1.103 328 F CA 0.610 58.688 58.000 0.130 0.000 1.442 328 F CB 0.052 39.086 39.000 0.058 0.000 1.097 328 F HN 0.133 nan 8.300 nan 0.000 0.547 329 D N 0.291 120.817 120.400 0.210 0.000 2.097 329 D HA -0.138 4.503 4.640 0.003 0.000 0.197 329 D C 2.248 178.594 176.300 0.078 0.000 0.984 329 D CA 1.448 55.516 54.000 0.114 0.000 0.826 329 D CB -0.229 40.611 40.800 0.067 0.000 0.973 329 D HN 0.115 nan 8.370 nan 0.000 0.460 330 A N 1.428 124.280 122.820 0.055 0.000 1.851 330 A HA -0.125 4.197 4.320 0.003 0.000 0.216 330 A C 2.388 180.003 177.584 0.051 0.000 1.195 330 A CA 1.586 53.639 52.037 0.028 0.000 0.622 330 A CB -1.210 17.785 19.000 -0.008 0.000 0.831 330 A HN 0.426 nan 8.150 nan 0.000 0.444 331 L N -0.192 121.087 121.223 0.093 0.000 2.021 331 L HA -0.215 4.127 4.340 0.003 0.000 0.215 331 L C 2.383 179.293 176.870 0.065 0.000 1.074 331 L CA 2.330 57.224 54.840 0.091 0.000 0.760 331 L CB -0.840 41.297 42.059 0.129 0.000 0.889 331 L HN 0.491 nan 8.230 nan 0.000 0.433 332 L N -0.408 120.866 121.223 0.086 0.000 2.093 332 L HA -0.206 4.135 4.340 0.003 0.000 0.208 332 L C 2.842 179.711 176.870 -0.002 0.000 1.085 332 L CA 1.218 56.084 54.840 0.043 0.000 0.755 332 L CB -0.483 41.608 42.059 0.053 0.000 0.904 332 L HN 0.351 nan 8.230 nan 0.000 0.435 333 R N 0.115 120.618 120.500 0.004 0.000 2.189 333 R HA -0.124 4.218 4.340 0.003 0.000 0.218 333 R C 2.321 178.604 176.300 -0.028 0.000 1.074 333 R CA 1.294 57.380 56.100 -0.024 0.000 0.991 333 R CB -0.024 30.274 30.300 -0.004 0.000 0.883 333 R HN 0.388 nan 8.270 nan 0.000 0.457 334 S N -0.768 114.927 115.700 -0.009 0.000 2.603 334 S HA -0.013 4.458 4.470 0.003 0.000 0.229 334 S C 1.513 176.099 174.600 -0.023 0.000 0.972 334 S CA 0.424 58.618 58.200 -0.010 0.000 0.935 334 S CB 0.263 63.467 63.200 0.006 0.000 0.769 334 S HN 0.236 nan 8.310 nan 0.000 0.536 335 M N -0.101 119.480 119.600 -0.032 0.000 2.304 335 M HA 0.328 4.810 4.480 0.003 0.000 0.281 335 M C 1.555 177.819 176.300 -0.060 0.000 1.014 335 M CA 0.867 56.146 55.300 -0.035 0.000 1.054 335 M CB -0.052 32.536 32.600 -0.019 0.000 1.551 335 M HN 0.593 nan 8.290 nan 0.000 0.548 336 G N 1.227 109.967 108.800 -0.101 0.000 2.144 336 G HA2 -0.136 3.825 3.960 0.003 0.000 0.218 336 G HA3 -0.136 3.825 3.960 0.003 0.000 0.218 336 G C 0.252 174.971 174.900 -0.302 0.000 0.988 336 G CA 0.179 45.175 45.100 -0.172 0.000 0.659 336 G HN 0.714 nan 8.290 nan 0.000 0.522 337 A N 1.072 123.763 122.820 -0.215 0.000 2.363 337 A HA 0.646 4.968 4.320 0.003 0.000 0.270 337 A C 0.231 177.648 177.584 -0.279 0.000 1.121 337 A CA -0.353 51.565 52.037 -0.200 0.000 0.800 337 A CB 0.221 19.181 19.000 -0.067 0.000 1.052 337 A HN 0.436 nan 8.150 nan 0.000 0.493 338 H N 1.689 120.770 119.070 0.018 0.000 2.562 338 H HA 0.263 4.821 4.556 0.003 0.000 0.314 338 H C 0.355 175.690 175.328 0.012 0.000 1.079 338 H CA 0.368 56.425 56.048 0.016 0.000 1.349 338 H CB 1.258 31.028 29.762 0.014 0.000 1.432 338 H HN 0.668 nan 8.280 nan 0.000 0.479 339 T N 1.123 115.748 114.554 0.118 0.000 2.739 339 T HA 0.158 4.510 4.350 0.003 0.000 0.298 339 T C 1.013 175.754 174.700 0.069 0.000 0.929 339 T CA -0.631 61.513 62.100 0.073 0.000 1.014 339 T CB -0.212 68.687 68.868 0.052 0.000 0.914 339 T HN 0.285 nan 8.240 nan 0.000 0.509 340 V N 3.326 123.273 119.914 0.056 0.000 3.623 340 V HA 0.489 4.611 4.120 0.003 0.000 0.271 340 V C 1.075 177.181 176.094 0.021 0.000 1.248 340 V CA 0.745 63.067 62.300 0.036 0.000 1.156 340 V CB -1.185 30.656 31.823 0.031 0.000 0.870 340 V HN 1.181 nan 8.190 nan 0.000 0.453 341 A N 0.060 122.892 122.820 0.019 0.000 2.528 341 A HA 0.743 5.065 4.320 0.003 0.000 0.306 341 A C -0.771 176.818 177.584 0.008 0.000 1.042 341 A CA 0.286 52.330 52.037 0.012 0.000 0.950 341 A CB 0.356 19.360 19.000 0.006 0.000 1.374 341 A HN 0.548 nan 8.150 nan 0.000 0.387 342 A N 1.672 124.500 122.820 0.012 0.000 2.343 342 A HA 0.809 5.131 4.320 0.003 0.000 0.308 342 A C -0.945 176.646 177.584 0.012 0.000 1.092 342 A CA -0.556 51.489 52.037 0.013 0.000 0.751 342 A CB 1.447 20.459 19.000 0.021 0.000 1.203 342 A HN 1.624 nan 8.150 nan 0.000 0.452 343 V N 2.881 122.800 119.914 0.009 0.000 2.531 343 V HA 0.579 4.701 4.120 0.003 0.000 0.301 343 V C -0.398 175.705 176.094 0.015 0.000 1.034 343 V CA -0.540 61.766 62.300 0.010 0.000 0.865 343 V CB 1.512 33.337 31.823 0.003 0.000 0.995 343 V HN 0.772 nan 8.190 nan 0.000 0.424 344 V N 6.729 126.654 119.914 0.019 0.000 3.046 344 V HA 0.561 4.682 4.120 0.003 0.000 0.316 344 V C -1.645 174.464 176.094 0.025 0.000 1.104 344 V CA -1.759 60.555 62.300 0.025 0.000 1.006 344 V CB 3.292 35.131 31.823 0.025 0.000 1.058 344 V HN 0.740 nan 8.190 nan 0.000 0.440 345 P HA 0.203 nan 4.420 nan 0.000 0.224 345 P C -0.189 177.130 177.300 0.031 0.000 1.157 345 P CA 0.799 63.919 63.100 0.033 0.000 0.799 345 P CB 0.600 32.328 31.700 0.047 0.000 0.809 346 A N -1.595 121.245 122.820 0.033 0.000 2.608 346 A HA 0.478 4.799 4.320 0.003 0.000 0.292 346 A C 0.915 178.516 177.584 0.028 0.000 1.066 346 A CA -0.511 51.544 52.037 0.030 0.000 0.676 346 A CB 0.515 19.534 19.000 0.033 0.000 1.277 346 A HN -0.149 nan 8.150 nan 0.000 0.413 347 R N 1.067 121.581 120.500 0.025 0.000 2.122 347 R HA 0.098 4.439 4.340 0.003 0.000 0.236 347 R C 0.969 177.283 176.300 0.023 0.000 1.129 347 R CA 2.810 58.923 56.100 0.022 0.000 0.925 347 R CB -0.675 29.637 30.300 0.020 0.000 0.850 347 R HN 2.669 nan 8.270 nan 0.000 0.431 348 A N -2.099 120.737 122.820 0.026 0.000 2.443 348 A HA -0.027 4.295 4.320 0.003 0.000 0.685 348 A C 0.939 178.538 177.584 0.024 0.000 0.261 348 A CA 0.474 52.528 52.037 0.028 0.000 0.268 348 A CB -1.622 17.397 19.000 0.033 0.000 3.947 348 A HN 0.932 nan 8.150 nan 0.000 0.548 349 A N 3.393 126.230 122.820 0.028 0.000 3.102 349 A HA 0.421 4.742 4.320 0.003 0.000 0.189 349 A C 2.440 180.034 177.584 0.017 0.000 0.842 349 A CA 2.886 54.940 52.037 0.029 0.000 1.137 349 A CB -1.385 17.641 19.000 0.044 0.000 0.746 349 A HN 2.967 nan 8.150 nan 0.000 0.537 350 A N -2.139 120.687 122.820 0.009 0.000 2.352 350 A HA -0.034 4.287 4.320 0.003 0.000 0.286 350 A C 0.470 178.048 177.584 -0.010 0.000 1.415 350 A CA 1.215 53.240 52.037 -0.020 0.000 0.784 350 A CB -2.438 16.543 19.000 -0.031 0.000 1.065 350 A HN 1.477 nan 8.150 nan 0.000 0.378 351 L N -3.004 118.220 121.223 0.001 0.000 2.598 351 L HA 0.649 4.991 4.340 0.003 0.000 0.202 351 L C 1.992 178.861 176.870 -0.002 0.000 1.190 351 L CA 0.170 55.013 54.840 0.005 0.000 0.869 351 L CB -0.638 41.429 42.059 0.013 0.000 1.529 351 L HN 0.960 nan 8.230 nan 0.000 0.520 352 V N -0.515 119.401 119.914 0.003 0.000 1.705 352 V HA -0.458 3.663 4.120 0.003 0.000 0.053 352 V C 0.795 176.887 176.094 -0.003 0.000 0.495 352 V CA 2.041 64.341 62.300 0.001 0.000 1.481 352 V CB -1.426 30.396 31.823 -0.001 0.000 1.731 352 V HN 1.046 nan 8.190 nan 0.000 0.795 353 D N -0.928 119.469 120.400 -0.004 0.000 2.946 353 D HA -0.247 4.394 4.640 0.003 0.000 0.202 353 D C 0.595 176.886 176.300 -0.014 0.000 1.068 353 D CA 1.915 55.912 54.000 -0.005 0.000 1.011 353 D CB -1.639 39.162 40.800 0.002 0.000 1.105 353 D HN 2.194 nan 8.370 nan 0.000 0.425 354 S N -1.347 114.338 115.700 -0.025 0.000 3.701 354 S HA -0.191 4.281 4.470 0.003 0.000 0.633 354 S C -2.197 172.393 174.600 -0.016 0.000 2.263 354 S CA 0.749 58.928 58.200 -0.035 0.000 2.658 354 S CB -1.546 61.628 63.200 -0.044 0.000 0.323 354 S HN 0.093 nan 8.310 nan 0.000 1.605 355 P HA 0.356 nan 4.420 nan 0.000 0.255 355 P C 0.236 177.543 177.300 0.012 0.000 1.248 355 P CA -0.017 63.084 63.100 0.002 0.000 0.807 355 P CB -0.213 31.489 31.700 0.004 0.000 1.150 356 L N 2.129 123.359 121.223 0.013 0.000 2.499 356 L HA 0.093 4.434 4.340 0.003 0.000 0.273 356 L C -0.969 175.910 176.870 0.015 0.000 1.195 356 L CA -1.331 53.520 54.840 0.020 0.000 0.882 356 L CB -0.453 41.618 42.059 0.020 0.000 1.133 356 L HN -0.119 nan 8.230 nan 0.000 0.483 357 P HA -0.100 nan 4.420 nan 0.000 0.218 357 P C -0.243 177.064 177.300 0.011 0.000 1.146 357 P CA 0.997 64.104 63.100 0.012 0.000 0.813 357 P CB 0.330 32.036 31.700 0.011 0.000 0.778 358 S N -3.317 112.390 115.700 0.012 0.000 2.595 358 S HA 0.553 5.025 4.470 0.003 0.000 0.270 358 S C -1.322 173.286 174.600 0.014 0.000 1.145 358 S CA -0.730 57.477 58.200 0.012 0.000 0.825 358 S CB 1.589 64.795 63.200 0.011 0.000 1.107 358 S HN -0.007 nan 8.310 nan 0.000 0.461 359 V N 0.278 120.200 119.914 0.013 0.000 3.087 359 V HA 0.772 4.894 4.120 0.003 0.000 0.306 359 V C -1.706 174.397 176.094 0.015 0.000 1.187 359 V CA -0.786 61.523 62.300 0.015 0.000 0.999 359 V CB 2.190 34.022 31.823 0.015 0.000 1.049 359 V HN 1.121 nan 8.190 nan 0.000 0.431 360 R N 2.546 123.055 120.500 0.016 0.000 2.664 360 R HA 0.719 5.061 4.340 0.003 0.000 0.286 360 R C -1.088 175.222 176.300 0.017 0.000 0.967 360 R CA -0.596 55.514 56.100 0.016 0.000 0.933 360 R CB 2.166 32.477 30.300 0.018 0.000 1.146 360 R HN 0.799 nan 8.270 nan 0.000 0.468 361 V N 1.500 121.424 119.914 0.017 0.000 2.328 361 V HA 0.704 4.826 4.120 0.003 0.000 0.278 361 V C 0.289 176.393 176.094 0.017 0.000 1.021 361 V CA 0.379 62.690 62.300 0.018 0.000 0.838 361 V CB 0.781 32.615 31.823 0.019 0.000 0.999 361 V HN 1.026 nan 8.190 nan 0.000 0.447 362 G N 3.775 112.584 108.800 0.015 0.000 4.665 362 G HA2 0.218 4.180 3.960 0.003 0.000 0.219 362 G HA3 0.218 4.180 3.960 0.003 0.000 0.219 362 G C -0.274 174.631 174.900 0.009 0.000 0.664 362 G CA 0.186 45.294 45.100 0.014 0.000 0.907 362 G HN 1.019 nan 8.290 nan 0.000 0.689 363 D N -1.336 119.068 120.400 0.006 0.000 4.808 363 D HA -0.198 4.443 4.640 0.003 0.000 0.304 363 D C 1.408 177.700 176.300 -0.014 0.000 2.360 363 D CA 0.752 54.751 54.000 -0.003 0.000 1.222 363 D CB -0.812 39.983 40.800 -0.008 0.000 1.085 363 D HN 0.135 nan 8.370 nan 0.000 1.266 364 L N -0.091 121.117 121.223 -0.024 0.000 2.141 364 L HA -0.099 4.243 4.340 0.003 0.000 0.209 364 L C 2.431 179.257 176.870 -0.073 0.000 1.094 364 L CA 1.358 56.175 54.840 -0.039 0.000 0.763 364 L CB -0.332 41.709 42.059 -0.029 0.000 0.908 364 L HN 0.430 nan 8.230 nan 0.000 0.437 365 E N 0.426 120.590 120.200 -0.061 0.000 2.153 365 E HA -0.247 4.104 4.350 0.003 0.000 0.194 365 E C 1.401 177.942 176.600 -0.098 0.000 0.988 365 E CA 1.497 57.842 56.400 -0.091 0.000 0.811 365 E CB 0.147 29.850 29.700 0.005 0.000 0.746 365 E HN 0.482 nan 8.360 nan 0.000 0.466 366 D N 0.769 121.162 120.400 -0.012 0.000 2.117 366 D HA -0.143 4.498 4.640 0.003 0.000 0.198 366 D C 1.892 178.185 176.300 -0.011 0.000 0.982 366 D CA 0.327 54.347 54.000 0.034 0.000 0.828 366 D CB -0.326 40.493 40.800 0.032 0.000 0.967 366 D HN 0.172 nan 8.370 nan 0.000 0.464 367 L N 1.197 122.392 121.223 -0.046 0.000 2.017 367 L HA -0.165 4.176 4.340 0.003 0.000 0.208 367 L C 2.078 178.897 176.870 -0.086 0.000 1.073 367 L CA 1.832 56.643 54.840 -0.049 0.000 0.745 367 L CB -0.616 41.416 42.059 -0.046 0.000 0.894 367 L HN 0.083 nan 8.230 nan 0.000 0.432 368 E N -0.959 119.133 120.200 -0.180 0.000 2.130 368 E HA -0.284 4.068 4.350 0.003 0.000 0.196 368 E C 1.941 178.417 176.600 -0.207 0.000 0.998 368 E CA 1.871 58.127 56.400 -0.240 0.000 0.806 368 E CB -0.085 29.390 29.700 -0.375 0.000 0.738 368 E HN 0.702 nan 8.360 nan 0.000 0.459 369 H N -1.036 118.034 119.070 -0.000 0.000 2.384 369 H HA 0.145 4.702 4.556 0.003 0.000 0.300 369 H C 2.014 177.341 175.328 -0.001 0.000 1.057 369 H CA 0.679 56.727 56.048 -0.001 0.000 1.370 369 H CB 0.067 29.829 29.762 -0.001 0.000 1.417 369 H HN 0.231 nan 8.280 nan 0.000 0.527 370 A N 1.403 124.282 122.820 0.099 0.000 1.908 370 A HA -0.183 4.139 4.320 0.003 0.000 0.218 370 A C 2.498 180.100 177.584 0.031 0.000 1.181 370 A CA 1.605 53.673 52.037 0.052 0.000 0.627 370 A CB -1.047 17.974 19.000 0.033 0.000 0.818 370 A HN 0.471 nan 8.150 nan 0.000 0.445 371 A N -0.360 122.468 122.820 0.013 0.000 1.902 371 A HA -0.177 4.145 4.320 0.003 0.000 0.217 371 A C 2.256 179.848 177.584 0.014 0.000 1.181 371 A CA 1.823 53.862 52.037 0.003 0.000 0.623 371 A CB -0.473 18.516 19.000 -0.018 0.000 0.818 371 A HN 0.573 nan 8.150 nan 0.000 0.443 372 R N -0.498 120.019 120.500 0.028 0.000 2.115 372 R HA -0.005 4.337 4.340 0.003 0.000 0.230 372 R C 2.198 178.520 176.300 0.037 0.000 1.111 372 R CA 1.257 57.380 56.100 0.038 0.000 0.976 372 R CB -0.354 29.988 30.300 0.070 0.000 0.870 372 R HN 0.437 nan 8.270 nan 0.000 0.445 373 A N 0.132 122.976 122.820 0.041 0.000 1.841 373 A HA -0.032 4.289 4.320 0.003 0.000 0.214 373 A C 2.168 179.763 177.584 0.018 0.000 1.195 373 A CA 1.558 53.614 52.037 0.030 0.000 0.611 373 A CB -1.064 17.956 19.000 0.033 0.000 0.835 373 A HN 0.513 nan 8.150 nan 0.000 0.443 374 G N -2.158 106.651 108.800 0.015 0.000 3.042 374 G HA2 0.338 4.299 3.960 0.003 0.000 0.212 374 G HA3 0.338 4.299 3.960 0.003 0.000 0.212 374 G C 0.292 175.198 174.900 0.009 0.000 1.166 374 G CA 0.520 45.624 45.100 0.007 0.000 0.767 374 G HN 0.592 nan 8.290 nan 0.000 0.546 375 Q N -1.203 118.606 119.800 0.014 0.000 2.434 375 Q HA -0.136 4.205 4.340 0.003 0.000 0.288 375 Q C 0.538 176.548 176.000 0.017 0.000 1.372 375 Q CA -0.109 55.703 55.803 0.016 0.000 0.731 375 Q CB -2.123 26.624 28.738 0.016 0.000 1.126 375 Q HN 0.676 nan 8.270 nan 0.000 0.398 376 A N 0.641 123.468 122.820 0.011 0.000 2.587 376 A HA -0.030 4.292 4.320 0.003 0.000 0.235 376 A C 0.963 178.550 177.584 0.005 0.000 1.044 376 A CA 0.943 52.983 52.037 0.005 0.000 0.754 376 A CB 0.306 19.301 19.000 -0.008 0.000 0.968 376 A HN 0.533 nan 8.150 nan 0.000 0.509 377 Q N 0.033 119.836 119.800 0.005 0.000 2.319 377 Q HA 0.346 4.688 4.340 0.003 0.000 0.209 377 Q C -0.430 175.552 176.000 -0.030 0.000 0.884 377 Q CA 0.055 55.861 55.803 0.006 0.000 0.938 377 Q CB 0.719 29.472 28.738 0.026 0.000 1.098 377 Q HN 0.586 nan 8.270 nan 0.000 0.517 378 L N -0.187 121.008 121.223 -0.046 0.000 2.643 378 L HA 0.417 4.759 4.340 0.003 0.000 0.257 378 L C -2.034 174.787 176.870 -0.081 0.000 0.922 378 L CA -0.563 54.226 54.840 -0.084 0.000 0.909 378 L CB 1.970 43.981 42.059 -0.080 0.000 1.424 378 L HN -0.302 nan 8.230 nan 0.000 0.422 379 V N 5.733 125.587 119.914 -0.100 0.000 2.443 379 V HA 0.512 4.634 4.120 0.003 0.000 0.293 379 V C 0.109 176.123 176.094 -0.134 0.000 1.021 379 V CA -0.404 61.835 62.300 -0.100 0.000 0.848 379 V CB 1.968 33.744 31.823 -0.078 0.000 0.998 379 V HN 0.597 nan 8.190 nan 0.000 0.424 380 I N 4.816 125.279 120.570 -0.179 0.000 2.342 380 I HA 0.803 4.974 4.170 0.003 0.000 0.291 380 I C 0.839 176.835 176.117 -0.201 0.000 1.010 380 I CA 0.354 61.498 61.300 -0.259 0.000 1.308 380 I CB 1.364 39.075 38.000 -0.481 0.000 1.400 380 I HN 0.770 nan 8.210 nan 0.000 0.488 381 G N 5.252 113.952 108.800 -0.166 0.000 2.428 381 G HA2 0.167 4.129 3.960 0.003 0.000 0.304 381 G HA3 0.167 4.129 3.960 0.003 0.000 0.304 381 G C -1.709 173.134 174.900 -0.095 0.000 1.303 381 G CA -0.901 44.135 45.100 -0.106 0.000 0.825 381 G HN 0.676 nan 8.290 nan 0.000 0.484 382 N N -1.113 117.545 118.700 -0.070 0.000 2.476 382 N HA 0.288 5.029 4.740 0.003 0.000 0.287 382 N C 1.060 176.470 175.510 -0.167 0.000 1.262 382 N CA 0.056 53.039 53.050 -0.112 0.000 0.980 382 N CB 1.478 39.915 38.487 -0.083 0.000 1.163 382 N HN 0.272 nan 8.380 nan 0.000 0.592 383 S N -0.376 115.117 115.700 -0.345 0.000 2.420 383 S HA -0.171 4.301 4.470 0.003 0.000 0.237 383 S C 1.365 175.801 174.600 -0.274 0.000 1.023 383 S CA 0.887 58.781 58.200 -0.510 0.000 0.991 383 S CB -0.654 61.791 63.200 -1.258 0.000 0.792 383 S HN 0.488 nan 8.310 nan 0.000 0.488 384 H N 0.683 119.720 119.070 -0.054 0.000 2.491 384 H HA 0.191 4.749 4.556 0.003 0.000 0.290 384 H C 2.197 177.527 175.328 0.004 0.000 1.050 384 H CA 0.876 56.956 56.048 0.054 0.000 1.309 384 H CB -0.424 29.388 29.762 0.084 0.000 1.392 384 H HN 0.440 nan 8.280 nan 0.000 0.554 385 A N 0.804 123.663 122.820 0.065 0.000 2.119 385 A HA -0.002 4.320 4.320 0.003 0.000 0.216 385 A C 2.528 180.110 177.584 -0.002 0.000 1.152 385 A CA 0.064 52.111 52.037 0.017 0.000 0.708 385 A CB -0.535 18.451 19.000 -0.023 0.000 0.805 385 A HN 0.292 nan 8.150 nan 0.000 0.460 386 L N -0.423 120.794 121.223 -0.010 0.000 1.976 386 L HA -0.334 4.008 4.340 0.003 0.000 0.223 386 L C 3.030 179.905 176.870 0.009 0.000 1.081 386 L CA 1.965 56.798 54.840 -0.010 0.000 0.784 386 L CB -0.629 41.425 42.059 -0.009 0.000 0.896 386 L HN 0.468 nan 8.230 nan 0.000 0.438 387 A N -0.996 121.843 122.820 0.033 0.000 1.927 387 A HA -0.275 4.047 4.320 0.003 0.000 0.220 387 A C 2.365 179.952 177.584 0.005 0.000 1.185 387 A CA 2.432 54.485 52.037 0.028 0.000 0.639 387 A CB -0.828 18.198 19.000 0.045 0.000 0.820 387 A HN 0.572 nan 8.150 nan 0.000 0.451 388 S N -0.221 115.475 115.700 -0.006 0.000 2.351 388 S HA -0.072 4.400 4.470 0.003 0.000 0.220 388 S C 2.386 176.968 174.600 -0.030 0.000 1.035 388 S CA 1.405 59.585 58.200 -0.034 0.000 1.031 388 S CB -0.730 62.441 63.200 -0.048 0.000 0.928 388 S HN 0.888 nan 8.310 nan 0.000 0.433 389 A N 1.952 124.757 122.820 -0.026 0.000 1.869 389 A HA -0.214 4.107 4.320 0.003 0.000 0.218 389 A C 2.147 179.729 177.584 -0.004 0.000 1.203 389 A CA 1.924 53.947 52.037 -0.023 0.000 0.638 389 A CB -0.686 18.295 19.000 -0.031 0.000 0.831 389 A HN 0.433 nan 8.150 nan 0.000 0.450 390 R N -1.415 119.088 120.500 0.005 0.000 2.127 390 R HA -0.061 4.281 4.340 0.003 0.000 0.238 390 R C 2.433 178.740 176.300 0.012 0.000 1.134 390 R CA 1.461 57.571 56.100 0.016 0.000 0.975 390 R CB -0.203 30.108 30.300 0.018 0.000 0.865 390 R HN 0.494 nan 8.270 nan 0.000 0.447 391 R N -0.212 120.289 120.500 0.003 0.000 2.200 391 R HA 0.037 4.379 4.340 0.003 0.000 0.208 391 R C 0.292 176.593 176.300 0.001 0.000 1.033 391 R CA 0.294 56.395 56.100 0.002 0.000 1.000 391 R CB 0.271 30.567 30.300 -0.007 0.000 0.906 391 R HN -0.022 nan 8.270 nan 0.000 0.462 392 L N -1.347 119.873 121.223 -0.004 0.000 2.600 392 L HA 0.234 4.575 4.340 0.003 0.000 0.221 392 L C 1.293 178.172 176.870 0.014 0.000 1.197 392 L CA 0.451 55.293 54.840 0.003 0.000 0.838 392 L CB -0.038 42.018 42.059 -0.006 0.000 1.474 392 L HN 0.067 nan 8.230 nan 0.000 0.514 393 G N -0.126 108.687 108.800 0.021 0.000 4.178 393 G HA2 0.453 4.415 3.960 0.003 0.000 0.287 393 G HA3 0.453 4.415 3.960 0.003 0.000 0.287 393 G C -0.596 174.343 174.900 0.065 0.000 1.293 393 G CA 0.059 45.181 45.100 0.037 0.000 1.393 393 G HN 0.186 nan 8.290 nan 0.000 0.623 394 V N 0.505 120.449 119.914 0.050 0.000 2.925 394 V HA 0.496 4.617 4.120 0.003 0.000 0.311 394 V C -2.329 173.738 176.094 -0.046 0.000 1.104 394 V CA -1.762 60.546 62.300 0.013 0.000 0.954 394 V CB 3.574 35.386 31.823 -0.018 0.000 1.022 394 V HN 0.182 nan 8.190 nan 0.000 0.427 395 P HA 0.310 nan 4.420 nan 0.000 0.274 395 P C -1.192 176.003 177.300 -0.175 0.000 1.231 395 P CA -0.223 62.672 63.100 -0.342 0.000 0.790 395 P CB 0.645 31.925 31.700 -0.700 0.000 0.951 396 L N 2.697 123.845 121.223 -0.125 0.000 2.362 396 L HA 0.580 4.921 4.340 0.003 0.000 0.271 396 L C -1.365 175.449 176.870 -0.094 0.000 1.002 396 L CA -1.115 53.665 54.840 -0.099 0.000 0.818 396 L CB 1.947 43.964 42.059 -0.071 0.000 1.298 396 L HN 0.228 nan 8.230 nan 0.000 0.420 397 L N 5.472 126.636 121.223 -0.099 0.000 2.442 397 L HA 0.441 4.782 4.340 0.003 0.000 0.261 397 L C -0.210 176.625 176.870 -0.058 0.000 1.000 397 L CA -0.420 54.378 54.840 -0.069 0.000 0.882 397 L CB 0.950 42.959 42.059 -0.084 0.000 1.207 397 L HN 0.586 nan 8.230 nan 0.000 0.443 398 R N 3.788 124.273 120.500 -0.026 0.000 2.594 398 R HA 0.845 5.186 4.340 0.003 0.000 0.272 398 R C -0.563 175.789 176.300 0.087 0.000 1.074 398 R CA -0.109 55.974 56.100 -0.027 0.000 1.105 398 R CB 0.798 31.053 30.300 -0.075 0.000 1.008 398 R HN 0.649 nan 8.270 nan 0.000 0.472 399 A N 0.590 123.390 122.820 -0.034 0.000 2.610 399 A HA 0.744 5.066 4.320 0.003 0.000 0.291 399 A C -0.258 177.220 177.584 -0.177 0.000 1.086 399 A CA -0.286 51.643 52.037 -0.181 0.000 0.677 399 A CB 1.522 20.361 19.000 -0.268 0.000 1.278 399 A HN 1.267 nan 8.150 nan 0.000 0.414 400 G N -1.481 107.179 108.800 -0.234 0.000 2.712 400 G HA2 0.124 4.086 3.960 0.003 0.000 0.683 400 G HA3 0.124 4.086 3.960 0.003 0.000 0.683 400 G C -0.111 174.722 174.900 -0.110 0.000 1.320 400 G CA 0.248 45.281 45.100 -0.111 0.000 0.847 400 G HN 1.618 nan 8.290 nan 0.000 0.553 401 F N 1.174 121.019 119.950 -0.175 0.000 2.695 401 F HA 0.327 4.856 4.527 0.003 0.000 0.303 401 F C -1.528 174.063 175.800 -0.347 0.000 1.091 401 F CA 0.016 57.825 58.000 -0.320 0.000 1.300 401 F CB 0.943 39.611 39.000 -0.554 0.000 1.071 401 F HN 0.277 nan 8.300 nan 0.000 0.578 402 P HA 0.182 nan 4.420 nan 0.000 0.282 402 P C -1.697 175.468 177.300 -0.225 0.000 1.468 402 P CA -0.196 62.770 63.100 -0.223 0.000 1.017 402 P CB 0.948 32.596 31.700 -0.088 0.000 1.186 403 Q N 2.613 122.349 119.800 -0.107 0.000 3.064 403 Q HA 0.238 4.579 4.340 0.003 0.000 0.258 403 Q C -0.404 175.330 176.000 -0.443 0.000 0.972 403 Q CA -0.836 54.710 55.803 -0.428 0.000 0.761 403 Q CB 0.050 28.590 28.738 -0.330 0.000 1.281 403 Q HN 0.460 nan 8.270 nan 0.000 0.455 404 Y N 0.018 120.181 120.300 -0.228 0.000 2.546 404 Y HA 0.114 4.665 4.550 0.002 0.000 0.287 404 Y C 0.926 176.752 175.900 -0.123 0.000 1.158 404 Y CA 0.457 58.451 58.100 -0.177 0.000 1.307 404 Y CB 0.158 38.517 38.460 -0.168 0.000 1.036 404 Y HN 0.454 nan 8.280 nan 0.000 0.532 405 D N 0.103 120.340 120.400 -0.271 0.000 2.395 405 D HA 0.102 4.744 4.640 0.003 0.000 0.213 405 D C -0.348 175.885 176.300 -0.111 0.000 1.110 405 D CA -0.016 53.922 54.000 -0.103 0.000 0.835 405 D CB 0.201 40.917 40.800 -0.141 0.000 0.965 405 D HN 0.337 nan 8.370 nan 0.000 0.505 406 L N 1.408 122.543 121.223 -0.147 0.000 2.406 406 L HA 0.213 4.554 4.340 0.003 0.000 0.270 406 L C 0.753 177.563 176.870 -0.100 0.000 0.982 406 L CA -0.752 54.014 54.840 -0.124 0.000 0.843 406 L CB 1.630 43.596 42.059 -0.157 0.000 1.225 406 L HN -0.237 nan 8.230 nan 0.000 0.412 407 L N 3.627 124.813 121.223 -0.061 0.000 2.013 407 L HA -0.116 4.225 4.340 0.003 0.000 0.212 407 L C 1.951 178.775 176.870 -0.077 0.000 1.073 407 L CA 2.370 57.193 54.840 -0.029 0.000 0.753 407 L CB -1.395 40.654 42.059 -0.016 0.000 0.890 407 L HN 0.882 nan 8.230 nan 0.000 0.432 408 G N -1.367 107.348 108.800 -0.141 0.000 2.572 408 G HA2 -0.052 3.910 3.960 0.003 0.000 0.216 408 G HA3 -0.052 3.910 3.960 0.003 0.000 0.216 408 G C 1.540 176.209 174.900 -0.386 0.000 1.133 408 G CA 0.606 45.561 45.100 -0.242 0.000 0.791 408 G HN 0.511 nan 8.290 nan 0.000 0.538 409 G N 1.260 109.878 108.800 -0.304 0.000 2.448 409 G HA2 -0.074 3.888 3.960 0.003 0.000 0.218 409 G HA3 -0.074 3.888 3.960 0.003 0.000 0.218 409 G C 1.500 176.250 174.900 -0.250 0.000 1.135 409 G CA 0.776 45.724 45.100 -0.255 0.000 0.784 409 G HN 0.588 nan 8.290 nan 0.000 0.543 410 F N -0.196 119.612 119.950 -0.237 0.000 2.722 410 F HA 0.216 4.744 4.527 0.002 0.000 0.298 410 F C 1.868 177.734 175.800 0.110 0.000 1.175 410 F CA 1.017 58.900 58.000 -0.195 0.000 1.462 410 F CB 0.169 39.008 39.000 -0.269 0.000 1.111 410 F HN 0.304 nan 8.300 nan 0.000 0.592 411 Q N 0.832 120.343 119.800 -0.481 0.000 2.157 411 Q HA 0.171 4.513 4.340 0.003 0.000 0.235 411 Q C 0.587 176.477 176.000 -0.184 0.000 0.803 411 Q CA -0.408 55.180 55.803 -0.358 0.000 0.967 411 Q CB 0.322 28.527 28.738 -0.887 0.000 1.150 411 Q HN 0.437 nan 8.270 nan 0.000 0.482 412 R N 0.764 121.127 120.500 -0.229 0.000 2.537 412 R HA -0.015 4.327 4.340 0.003 0.000 0.281 412 R C -0.812 175.360 176.300 -0.213 0.000 0.988 412 R CA 0.237 56.104 56.100 -0.389 0.000 1.077 412 R CB 0.397 30.160 30.300 -0.895 0.000 0.932 412 R HN 0.306 nan 8.270 nan 0.000 0.409 413 C N 7.808 126.984 119.300 -0.206 0.000 2.416 413 C HA 0.204 4.666 4.460 0.003 0.000 0.355 413 C C 1.198 176.084 174.990 -0.173 0.000 1.211 413 C CA -0.757 58.213 59.018 -0.080 0.000 1.699 413 C CB -1.020 26.691 27.740 -0.049 0.000 2.310 413 C HN 0.992 nan 8.230 nan 0.000 0.539 414 W N 3.222 124.457 121.300 -0.107 0.000 2.576 414 W HA 0.081 4.742 4.660 0.003 0.000 0.270 414 W C 1.189 177.523 176.519 -0.308 0.000 1.255 414 W CA 0.060 57.271 57.345 -0.223 0.000 1.314 414 W CB -0.132 29.182 29.460 -0.243 0.000 1.101 414 W HN 0.589 nan 8.180 nan 0.000 0.595 415 S N -0.639 115.051 115.700 -0.018 0.000 2.632 415 S HA 0.574 5.046 4.470 0.003 0.000 0.271 415 S C 0.528 174.764 174.600 -0.606 0.000 1.260 415 S CA 0.358 58.465 58.200 -0.155 0.000 1.010 415 S CB 1.429 64.551 63.200 -0.129 0.000 0.965 415 S HN 0.409 nan 8.310 nan 0.000 0.534 416 G N 0.651 109.094 108.800 -0.595 0.000 2.681 416 G HA2 -0.261 3.701 3.960 0.003 0.000 0.220 416 G HA3 -0.261 3.701 3.960 0.003 0.000 0.220 416 G C 0.166 174.834 174.900 -0.387 0.000 1.353 416 G CA 0.248 44.905 45.100 -0.738 0.000 0.872 416 G HN 0.696 nan 8.290 nan 0.000 0.557 417 Y N 0.227 120.447 120.300 -0.133 0.000 2.163 417 Y HA -0.097 4.455 4.550 0.002 0.000 0.288 417 Y C 3.345 179.197 175.900 -0.081 0.000 1.136 417 Y CA 1.770 59.847 58.100 -0.038 0.000 1.147 417 Y CB -0.140 38.369 38.460 0.082 0.000 0.987 417 Y HN 0.322 nan 8.280 nan 0.000 0.509 418 R N 0.014 120.572 120.500 0.097 0.000 2.062 418 R HA -0.068 4.274 4.340 0.003 0.000 0.229 418 R C 2.496 178.732 176.300 -0.107 0.000 1.128 418 R CA 1.058 57.163 56.100 0.007 0.000 0.960 418 R CB -1.454 28.873 30.300 0.045 0.000 0.855 418 R HN 0.465 nan 8.270 nan 0.000 0.432 419 G N 0.787 109.477 108.800 -0.185 0.000 2.586 419 G HA2 -0.315 3.647 3.960 0.003 0.000 0.218 419 G HA3 -0.315 3.647 3.960 0.003 0.000 0.218 419 G C 1.645 176.401 174.900 -0.239 0.000 1.216 419 G CA 1.421 46.372 45.100 -0.247 0.000 0.786 419 G HN 0.294 nan 8.290 nan 0.000 0.583 420 S N 0.899 116.470 115.700 -0.214 0.000 2.368 420 S HA -0.247 4.225 4.470 0.003 0.000 0.226 420 S C 2.811 177.294 174.600 -0.195 0.000 1.044 420 S CA 2.325 60.416 58.200 -0.181 0.000 1.062 420 S CB -0.522 62.618 63.200 -0.100 0.000 0.931 420 S HN 0.729 nan 8.310 nan 0.000 0.440 421 S N 1.063 116.639 115.700 -0.206 0.000 2.383 421 S HA -0.135 4.337 4.470 0.003 0.000 0.227 421 S C 1.859 176.082 174.600 -0.629 0.000 1.026 421 S CA 1.246 59.207 58.200 -0.398 0.000 0.981 421 S CB -0.538 62.451 63.200 -0.351 0.000 0.818 421 S HN 0.349 nan 8.310 nan 0.000 0.472 422 Q N 1.462 121.051 119.800 -0.351 0.000 2.170 422 Q HA 0.012 4.353 4.340 0.003 0.000 0.203 422 Q C 2.010 177.915 176.000 -0.158 0.000 0.976 422 Q CA 1.579 57.275 55.803 -0.179 0.000 0.858 422 Q CB -0.865 27.804 28.738 -0.114 0.000 0.907 422 Q HN 0.496 nan 8.270 nan 0.000 0.433 423 V N 0.075 119.877 119.914 -0.187 0.000 2.515 423 V HA -0.226 3.896 4.120 0.003 0.000 0.250 423 V C 1.994 178.044 176.094 -0.073 0.000 1.058 423 V CA 1.318 63.566 62.300 -0.087 0.000 1.064 423 V CB -0.447 31.375 31.823 -0.002 0.000 0.675 423 V HN 0.275 nan 8.190 nan 0.000 0.461 424 L N -1.464 119.653 121.223 -0.176 0.000 2.044 424 L HA -0.042 4.300 4.340 0.003 0.000 0.205 424 L C 2.315 179.171 176.870 -0.023 0.000 1.075 424 L CA 1.630 56.389 54.840 -0.134 0.000 0.747 424 L CB -0.813 41.127 42.059 -0.198 0.000 0.903 424 L HN 0.171 nan 8.230 nan 0.000 0.435 425 F N 0.520 120.460 119.950 -0.017 0.000 2.087 425 F HA -0.285 4.244 4.527 0.003 0.000 0.299 425 F C 2.413 178.196 175.800 -0.029 0.000 1.100 425 F CA 1.229 59.216 58.000 -0.021 0.000 1.226 425 F CB -1.230 37.750 39.000 -0.032 0.000 0.983 425 F HN 0.174 nan 8.300 nan 0.000 0.479 426 D N 0.300 120.783 120.400 0.137 0.000 2.084 426 D HA -0.147 4.495 4.640 0.003 0.000 0.194 426 D C 2.556 178.875 176.300 0.031 0.000 0.990 426 D CA 1.215 55.249 54.000 0.056 0.000 0.826 426 D CB -0.766 40.038 40.800 0.006 0.000 0.971 426 D HN 0.209 nan 8.370 nan 0.000 0.453 427 L N 0.880 122.113 121.223 0.017 0.000 2.042 427 L HA -0.197 4.144 4.340 0.003 0.000 0.210 427 L C 2.633 179.514 176.870 0.018 0.000 1.076 427 L CA 1.344 56.182 54.840 -0.003 0.000 0.749 427 L CB -0.632 41.420 42.059 -0.011 0.000 0.893 427 L HN -0.032 nan 8.230 nan 0.000 0.432 428 A N 0.442 123.294 122.820 0.054 0.000 1.883 428 A HA -0.241 4.081 4.320 0.003 0.000 0.217 428 A C 2.140 179.755 177.584 0.052 0.000 1.186 428 A CA 2.146 54.222 52.037 0.065 0.000 0.624 428 A CB -0.674 18.397 19.000 0.119 0.000 0.822 428 A HN 0.474 nan 8.150 nan 0.000 0.444 429 N N -0.025 118.710 118.700 0.058 0.000 2.166 429 N HA -0.093 4.649 4.740 0.003 0.000 0.186 429 N C 1.731 177.273 175.510 0.053 0.000 1.019 429 N CA 1.465 54.542 53.050 0.044 0.000 0.856 429 N CB -0.433 38.074 38.487 0.034 0.000 0.993 429 N HN 0.536 nan 8.380 nan 0.000 0.426 430 L N 0.687 121.926 121.223 0.025 0.000 2.023 430 L HA -0.081 4.261 4.340 0.003 0.000 0.205 430 L C 2.380 179.249 176.870 -0.002 0.000 1.073 430 L CA 0.712 55.545 54.840 -0.013 0.000 0.745 430 L CB -0.625 41.355 42.059 -0.133 0.000 0.900 430 L HN 0.065 nan 8.230 nan 0.000 0.435 431 L N -0.612 120.602 121.223 -0.015 0.000 1.997 431 L HA -0.270 4.072 4.340 0.003 0.000 0.216 431 L C 2.592 179.514 176.870 0.087 0.000 1.074 431 L CA 1.271 56.124 54.840 0.021 0.000 0.763 431 L CB -0.663 41.404 42.059 0.013 0.000 0.890 431 L HN 0.069 nan 8.230 nan 0.000 0.434 432 V N 0.493 120.446 119.914 0.064 0.000 2.287 432 V HA -0.305 3.817 4.120 0.003 0.000 0.248 432 V C 2.460 178.624 176.094 0.118 0.000 1.053 432 V CA 2.353 64.685 62.300 0.055 0.000 1.027 432 V CB -0.726 31.108 31.823 0.017 0.000 0.646 432 V HN 0.683 nan 8.190 nan 0.000 0.447 433 E N -1.037 119.255 120.200 0.153 0.000 2.371 433 E HA -0.157 4.195 4.350 0.003 0.000 0.194 433 E C 1.546 178.212 176.600 0.111 0.000 1.012 433 E CA 0.964 57.437 56.400 0.122 0.000 0.860 433 E CB -0.349 29.407 29.700 0.094 0.000 0.811 433 E HN 0.750 nan 8.360 nan 0.000 0.502 434 H N -0.435 118.666 119.070 0.052 0.000 2.524 434 H HA 0.123 4.680 4.556 0.002 0.000 0.280 434 H C -0.063 175.307 175.328 0.071 0.000 1.018 434 H CA 0.035 56.109 56.048 0.043 0.000 1.165 434 H CB 0.112 29.891 29.762 0.029 0.000 1.411 434 H HN 0.298 nan 8.280 nan 0.000 0.569 435 H N 0.000 119.123 119.070 0.088 0.000 2.539 435 H HA 0.000 4.557 4.556 0.002 0.000 0.296 435 H CA 0.000 56.078 56.048 0.050 0.000 1.023 435 H CB 0.000 29.788 29.762 0.043 0.000 1.292 435 H HN 0.000 nan 8.280 nan 0.000 0.496