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 3e3j_1_B DATA FIRST_RESID 8 DATA SEQUENCE KNDFSDIELA AIPFNTLADH YGERLAREQL ALEHESYEMG EARFRKMFXX DATA SEQUENCE XXXXXXXXXX XXXXXLITTL LPKMIARIND WFEEVKAKRG KRPTAFQFLQ DATA SEQUENCE EIKPEAVAYI TIKTTLACLT SADNTTVQAV ASAIGRAIED EARFGRIRDL DATA SEQUENCE EAKHFKKNVX XXXXXXXXXX XXKAFMQVVE ADMLSKGLLG GEAWSSWHKE DATA SEQUENCE DSIHVGVRCI EMLIESTGMV SLHRQNAGVV GQDSETIELA PEYAEAIAXX DATA SEQUENCE XXXXXGISLM FQPCVVPPKP WTGITGGGYW ANGRRPLALV RTHSKKALMR DATA SEQUENCE YEDVYMPEVY KAINIAQNTA WKINKKVLAV ANVITKWKHC PVEDIPAIER DATA SEQUENCE EELPMKPEDI DMNPEALTAW KRAAAAVYRK DKARKSRRIS LEFMLEQANK DATA SEQUENCE FANHKAIWFP YNMDWRGRVY AVSMFNPQGN DMTKGLLTLA KGKPIGKEGY DATA SEQUENCE YWLKIHGANC AGVDKVPFPE RIKFIEENHE NIMACAKSPL ENTWWAEQDS DATA SEQUENCE PFCFLAFCFE YAGVQHHGLS YNCSLPLAFD GSCSGIQHFS AMLRDEVGGR DATA SEQUENCE AVNLLPSETV QDIYGIVAKK VNEILQADAI NGTDNEVVTV TXXXXXXISE DATA SEQUENCE KVKLGTKALA GQWLAYGVTR SVTKRSVMTL AYGSKEFGFR QQVLEDTIQP DATA SEQUENCE AIDSGKGLMF TQPNQAAGYM AKLIWESVSV TVVAAVEAMN WLKSAAKLLA DATA SEQUENCE AEVKDKKTGE ILRKRCAVHW VTPDGFPVWQ EYKKPIQTRL NLMFLGQFRL DATA SEQUENCE QPTINTNKDS EIDAHKQESG IAPNFVHSQD GSHLRKTVVW AHEKYGIESF DATA SEQUENCE ALIHDSFGTI PADAANLFKA VRETMVDTYE SCDVLADFYD QFADQLHESQ DATA SEQUENCE LDKMPALPAK GNLNLRDILE SDFAFA 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.615 176.600 0.025 0.000 0.988 8 K CA 0.000 56.291 56.287 0.007 0.000 0.838 8 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 9 N N 0.852 119.572 118.700 0.033 0.000 2.055 9 N HA 0.118 4.862 4.740 0.007 0.000 0.199 9 N C -0.761 174.806 175.510 0.094 0.000 1.162 9 N CA 1.295 54.389 53.050 0.074 0.000 0.971 9 N CB -0.404 38.123 38.487 0.067 0.000 1.083 9 N HN 0.518 nan 8.380 nan 0.000 0.434 10 D N -3.820 116.640 120.400 0.101 0.000 8.765 10 D HA 0.084 4.728 4.640 0.007 0.000 0.329 10 D C -1.278 175.135 176.300 0.188 0.000 2.511 10 D CA -0.260 53.740 54.000 0.000 0.000 2.264 10 D CB -0.328 40.340 40.800 -0.220 0.000 1.497 10 D HN 0.272 nan 8.370 nan 0.000 0.832 11 F N -1.387 118.564 119.950 0.002 0.000 2.145 11 F HA -0.143 4.389 4.527 0.007 0.000 0.512 11 F C 1.108 176.911 175.800 0.006 0.000 1.281 11 F CA 0.097 58.098 58.000 0.001 0.000 1.641 11 F CB -1.111 37.887 39.000 -0.002 0.000 2.656 11 F HN 0.371 nan 8.300 nan 0.000 0.720 12 S N 1.252 117.055 115.700 0.171 0.000 2.571 12 S HA 0.326 4.800 4.470 0.007 0.000 0.298 12 S C 0.345 175.007 174.600 0.104 0.000 1.280 12 S CA 0.680 58.943 58.200 0.105 0.000 1.052 12 S CB 1.560 64.808 63.200 0.080 0.000 0.799 12 S HN 0.807 nan 8.310 nan 0.000 0.501 13 D N -0.068 120.385 120.400 0.088 0.000 4.339 13 D HA -0.118 4.526 4.640 0.007 0.000 0.142 13 D C 1.108 177.468 176.300 0.099 0.000 0.400 13 D CA 0.440 54.494 54.000 0.089 0.000 0.605 13 D CB -1.049 39.802 40.800 0.086 0.000 1.628 13 D HN 0.449 nan 8.370 nan 0.000 0.161 14 I N 2.003 122.628 120.570 0.092 0.000 2.179 14 I HA -0.169 4.005 4.170 0.007 0.000 0.242 14 I C 2.234 178.409 176.117 0.096 0.000 1.088 14 I CA 1.673 63.027 61.300 0.090 0.000 1.357 14 I CB -0.752 37.288 38.000 0.067 0.000 1.051 14 I HN 0.213 nan 8.210 nan 0.000 0.409 15 E N 0.663 120.912 120.200 0.082 0.000 2.072 15 E HA -0.130 4.224 4.350 0.007 0.000 0.190 15 E C 2.357 179.012 176.600 0.091 0.000 0.982 15 E CA 0.765 57.213 56.400 0.080 0.000 0.803 15 E CB -0.123 29.617 29.700 0.066 0.000 0.755 15 E HN 0.411 nan 8.360 nan 0.000 0.453 16 L N 0.389 121.669 121.223 0.095 0.000 2.353 16 L HA -0.115 4.229 4.340 0.007 0.000 0.220 16 L C 2.264 179.205 176.870 0.119 0.000 1.133 16 L CA 0.646 55.551 54.840 0.109 0.000 0.798 16 L CB -0.231 41.894 42.059 0.109 0.000 0.922 16 L HN 0.148 nan 8.230 nan 0.000 0.445 17 A N -0.781 122.105 122.820 0.110 0.000 2.095 17 A HA 0.276 4.600 4.320 0.007 0.000 0.212 17 A C 2.343 179.899 177.584 -0.048 0.000 1.162 17 A CA 0.922 53.006 52.037 0.078 0.000 0.753 17 A CB -0.112 18.988 19.000 0.168 0.000 0.840 17 A HN 0.306 nan 8.150 nan 0.000 0.468 18 A N -0.272 122.576 122.820 0.046 0.000 1.924 18 A HA 0.222 4.547 4.320 0.007 0.000 0.211 18 A C 1.815 179.465 177.584 0.109 0.000 1.198 18 A CA 0.921 52.998 52.037 0.067 0.000 0.657 18 A CB -0.437 18.637 19.000 0.124 0.000 0.852 18 A HN 0.297 nan 8.150 nan 0.000 0.454 19 I N 0.745 121.376 120.570 0.103 0.000 2.151 19 I HA -0.160 4.014 4.170 0.007 0.000 0.243 19 I C -0.717 175.462 176.117 0.103 0.000 1.080 19 I CA 1.798 63.161 61.300 0.105 0.000 1.339 19 I CB -0.865 37.200 38.000 0.109 0.000 1.039 19 I HN 0.205 nan 8.210 nan 0.000 0.409 20 P HA -0.198 nan 4.420 nan 0.000 0.216 20 P C 1.918 179.232 177.300 0.024 0.000 1.153 20 P CA 1.410 64.577 63.100 0.111 0.000 0.848 20 P CB -0.150 31.675 31.700 0.209 0.000 0.787 21 F N 0.907 120.806 119.950 -0.085 0.000 2.075 21 F HA -0.202 4.329 4.527 0.007 0.000 0.297 21 F C 1.815 177.584 175.800 -0.051 0.000 1.113 21 F CA 1.785 59.730 58.000 -0.091 0.000 1.218 21 F CB -1.080 37.825 39.000 -0.159 0.000 0.984 21 F HN -0.145 nan 8.300 nan 0.000 0.472 22 N N -0.686 118.052 118.700 0.063 0.000 2.043 22 N HA -0.222 4.522 4.740 0.007 0.000 0.193 22 N C 1.770 177.213 175.510 -0.111 0.000 1.037 22 N CA 2.272 55.309 53.050 -0.021 0.000 0.851 22 N CB -0.469 38.066 38.487 0.080 0.000 1.027 22 N HN 0.453 nan 8.380 nan 0.000 0.422 23 T N -0.528 113.981 114.554 -0.074 0.000 2.867 23 T HA -0.071 4.283 4.350 0.007 0.000 0.268 23 T C 1.761 176.402 174.700 -0.098 0.000 1.057 23 T CA 0.638 62.703 62.100 -0.058 0.000 1.136 23 T CB -0.250 68.579 68.868 -0.065 0.000 0.874 23 T HN 0.029 nan 8.240 nan 0.000 0.466 24 L N 0.837 121.938 121.223 -0.205 0.000 2.313 24 L HA 0.502 4.846 4.340 0.007 0.000 0.214 24 L C 2.564 179.345 176.870 -0.148 0.000 1.119 24 L CA 0.960 55.707 54.840 -0.155 0.000 0.809 24 L CB -0.650 41.273 42.059 -0.227 0.000 0.933 24 L HN 0.396 nan 8.230 nan 0.000 0.449 25 A N -1.883 120.742 122.820 -0.325 0.000 2.195 25 A HA 0.035 4.360 4.320 0.007 0.000 0.210 25 A C 1.655 179.105 177.584 -0.224 0.000 1.165 25 A CA 0.667 52.493 52.037 -0.351 0.000 0.806 25 A CB -0.212 18.412 19.000 -0.627 0.000 0.847 25 A HN 0.346 nan 8.150 nan 0.000 0.482 26 D N -0.983 119.286 120.400 -0.219 0.000 2.201 26 D HA -0.014 4.630 4.640 0.007 0.000 0.209 26 D C 1.578 177.652 176.300 -0.377 0.000 0.961 26 D CA 0.959 54.795 54.000 -0.272 0.000 0.861 26 D CB -0.273 40.345 40.800 -0.304 0.000 0.997 26 D HN 0.554 nan 8.370 nan 0.000 0.486 27 H N -1.120 117.703 119.070 -0.412 0.000 2.415 27 H HA 0.016 4.576 4.556 0.007 0.000 0.297 27 H C 0.957 175.930 175.328 -0.591 0.000 1.048 27 H CA 0.926 56.595 56.048 -0.631 0.000 1.365 27 H CB 0.369 29.474 29.762 -1.094 0.000 1.421 27 H HN 0.261 nan 8.280 nan 0.000 0.533 28 Y N -0.247 120.090 120.300 0.061 0.000 2.453 28 Y HA 0.376 4.931 4.550 0.007 0.000 0.247 28 Y C 1.315 177.172 175.900 -0.070 0.000 1.124 28 Y CA 0.220 58.334 58.100 0.023 0.000 1.243 28 Y CB 0.926 39.416 38.460 0.050 0.000 1.213 28 Y HN 0.220 nan 8.280 nan 0.000 0.523 29 G N 1.664 110.460 108.800 -0.006 0.000 2.690 29 G HA2 -0.215 3.750 3.960 0.007 0.000 0.686 29 G HA3 -0.215 3.750 3.960 0.007 0.000 0.686 29 G C 0.444 175.288 174.900 -0.093 0.000 1.277 29 G CA -0.259 44.809 45.100 -0.053 0.000 0.799 29 G HN 0.460 nan 8.290 nan 0.000 0.613 30 E N 0.245 120.381 120.200 -0.106 0.000 2.516 30 E HA -0.084 4.270 4.350 0.007 0.000 0.199 30 E C 2.088 178.686 176.600 -0.004 0.000 1.069 30 E CA 0.884 57.212 56.400 -0.120 0.000 0.876 30 E CB -0.084 29.615 29.700 -0.000 0.000 0.843 30 E HN 0.807 nan 8.360 nan 0.000 0.530 31 R N 1.351 121.846 120.500 -0.009 0.000 2.070 31 R HA -0.077 4.267 4.340 0.007 0.000 0.227 31 R C 2.177 178.487 176.300 0.017 0.000 1.147 31 R CA 1.311 57.418 56.100 0.011 0.000 0.924 31 R CB -0.749 29.543 30.300 -0.012 0.000 0.827 31 R HN 0.165 nan 8.270 nan 0.000 0.431 32 L N 0.670 121.883 121.223 -0.017 0.000 2.418 32 L HA 0.210 4.555 4.340 0.007 0.000 0.218 32 L C 2.713 179.580 176.870 -0.006 0.000 1.125 32 L CA 0.506 55.334 54.840 -0.019 0.000 0.835 32 L CB -0.351 41.645 42.059 -0.105 0.000 0.953 32 L HN 0.405 nan 8.230 nan 0.000 0.454 33 A N 0.419 123.221 122.820 -0.030 0.000 2.019 33 A HA -0.199 4.125 4.320 0.007 0.000 0.219 33 A C 2.468 180.105 177.584 0.088 0.000 1.164 33 A CA 1.397 53.391 52.037 -0.071 0.000 0.644 33 A CB -0.427 18.380 19.000 -0.322 0.000 0.805 33 A HN 0.339 nan 8.150 nan 0.000 0.449 34 R N -0.638 119.961 120.500 0.165 0.000 2.075 34 R HA -0.056 4.288 4.340 0.007 0.000 0.226 34 R C 2.187 178.594 176.300 0.178 0.000 1.114 34 R CA 1.357 57.628 56.100 0.285 0.000 0.972 34 R CB -0.210 30.247 30.300 0.263 0.000 0.869 34 R HN 0.680 nan 8.270 nan 0.000 0.437 35 E N -0.072 120.196 120.200 0.112 0.000 2.106 35 E HA -0.256 4.098 4.350 0.007 0.000 0.192 35 E C 1.894 178.533 176.600 0.065 0.000 0.984 35 E CA 1.148 57.598 56.400 0.082 0.000 0.806 35 E CB 0.155 29.910 29.700 0.091 0.000 0.750 35 E HN 0.179 nan 8.360 nan 0.000 0.458 36 Q N 0.752 120.590 119.800 0.064 0.000 2.050 36 Q HA -0.148 4.196 4.340 0.007 0.000 0.202 36 Q C 2.116 178.167 176.000 0.085 0.000 0.980 36 Q CA 1.665 57.508 55.803 0.067 0.000 0.840 36 Q CB -0.288 28.470 28.738 0.032 0.000 0.898 36 Q HN 0.368 nan 8.270 nan 0.000 0.424 37 L N -0.277 120.998 121.223 0.087 0.000 2.046 37 L HA -0.120 4.224 4.340 0.007 0.000 0.208 37 L C 2.433 179.242 176.870 -0.101 0.000 1.077 37 L CA 1.022 55.902 54.840 0.067 0.000 0.747 37 L CB -0.784 41.328 42.059 0.089 0.000 0.896 37 L HN 0.320 nan 8.230 nan 0.000 0.432 38 A N -0.197 122.501 122.820 -0.204 0.000 1.933 38 A HA -0.200 4.124 4.320 0.007 0.000 0.218 38 A C 2.204 179.608 177.584 -0.301 0.000 1.175 38 A CA 1.485 53.191 52.037 -0.551 0.000 0.628 38 A CB -0.553 18.271 19.000 -0.292 0.000 0.814 38 A HN 0.310 nan 8.150 nan 0.000 0.444 39 L N -0.286 120.881 121.223 -0.092 0.000 2.156 39 L HA -0.064 4.280 4.340 0.007 0.000 0.208 39 L C 2.196 179.079 176.870 0.022 0.000 1.095 39 L CA 1.907 56.743 54.840 -0.006 0.000 0.770 39 L CB -0.381 41.728 42.059 0.083 0.000 0.914 39 L HN 0.499 nan 8.230 nan 0.000 0.439 40 E N -1.495 118.729 120.200 0.039 0.000 2.011 40 E HA -0.172 4.182 4.350 0.007 0.000 0.191 40 E C 1.928 178.493 176.600 -0.058 0.000 0.980 40 E CA 0.979 57.383 56.400 0.007 0.000 0.814 40 E CB -0.285 29.466 29.700 0.085 0.000 0.775 40 E HN 0.468 nan 8.360 nan 0.000 0.454 41 H N 1.035 120.015 119.070 -0.149 0.000 2.550 41 H HA -0.082 4.479 4.556 0.007 0.000 0.292 41 H C 0.906 176.190 175.328 -0.073 0.000 1.072 41 H CA 0.824 56.803 56.048 -0.115 0.000 1.217 41 H CB -0.202 29.541 29.762 -0.031 0.000 1.355 41 H HN 0.169 nan 8.280 nan 0.000 0.586 42 E N 0.282 120.456 120.200 -0.043 0.000 2.441 42 E HA -0.047 4.307 4.350 0.007 0.000 0.210 42 E C 1.424 178.025 176.600 0.002 0.000 1.306 42 E CA -0.126 56.251 56.400 -0.038 0.000 1.307 42 E CB 0.035 29.692 29.700 -0.073 0.000 1.297 42 E HN 0.311 nan 8.360 nan 0.000 0.440 43 S N 0.157 115.883 115.700 0.043 0.000 2.325 43 S HA -0.121 4.353 4.470 0.007 0.000 0.213 43 S C 0.870 175.506 174.600 0.059 0.000 1.031 43 S CA 1.721 59.923 58.200 0.004 0.000 0.984 43 S CB -0.109 63.028 63.200 -0.106 0.000 0.939 43 S HN 0.736 nan 8.310 nan 0.000 0.438 44 Y N -0.259 120.006 120.300 -0.059 0.000 2.834 44 Y HA -0.273 4.281 4.550 0.007 0.000 0.467 44 Y C 1.379 177.295 175.900 0.026 0.000 1.248 44 Y CA 1.683 59.759 58.100 -0.040 0.000 2.468 44 Y CB -1.397 37.009 38.460 -0.090 0.000 1.201 44 Y HN 0.324 nan 8.280 nan 0.000 0.609 45 E N 1.116 121.398 120.200 0.137 0.000 2.150 45 E HA -0.092 4.262 4.350 0.007 0.000 0.193 45 E C 1.973 178.588 176.600 0.025 0.000 0.985 45 E CA 2.164 58.624 56.400 0.100 0.000 0.814 45 E CB -0.210 29.590 29.700 0.166 0.000 0.752 45 E HN 0.660 nan 8.360 nan 0.000 0.466 46 M N -1.432 118.178 119.600 0.016 0.000 2.388 46 M HA 0.087 4.572 4.480 0.007 0.000 0.265 46 M C 2.145 178.447 176.300 0.003 0.000 1.088 46 M CA 1.039 56.346 55.300 0.011 0.000 1.134 46 M CB 0.021 32.626 32.600 0.009 0.000 1.384 46 M HN 0.222 nan 8.290 nan 0.000 0.447 47 G N 0.314 109.100 108.800 -0.022 0.000 2.422 47 G HA2 -0.174 3.790 3.960 0.007 0.000 0.218 47 G HA3 -0.174 3.790 3.960 0.007 0.000 0.218 47 G C 1.457 176.337 174.900 -0.033 0.000 1.146 47 G CA 0.637 45.719 45.100 -0.030 0.000 0.769 47 G HN 0.332 nan 8.290 nan 0.000 0.547 48 E N 0.846 120.981 120.200 -0.109 0.000 2.072 48 E HA -0.005 4.349 4.350 0.007 0.000 0.190 48 E C 2.918 179.566 176.600 0.080 0.000 0.982 48 E CA 0.927 57.309 56.400 -0.030 0.000 0.803 48 E CB -0.442 29.187 29.700 -0.118 0.000 0.755 48 E HN 0.363 nan 8.360 nan 0.000 0.453 49 A N 1.408 124.251 122.820 0.037 0.000 1.969 49 A HA -0.152 4.172 4.320 0.007 0.000 0.218 49 A C 2.134 179.748 177.584 0.050 0.000 1.169 49 A CA 1.091 53.151 52.037 0.039 0.000 0.635 49 A CB -0.354 18.663 19.000 0.028 0.000 0.810 49 A HN 0.083 nan 8.150 nan 0.000 0.445 50 R N -2.188 118.352 120.500 0.066 0.000 2.148 50 R HA -0.003 4.341 4.340 0.007 0.000 0.223 50 R C 1.855 178.228 176.300 0.121 0.000 1.088 50 R CA 1.268 57.413 56.100 0.075 0.000 0.985 50 R CB -0.319 30.023 30.300 0.069 0.000 0.880 50 R HN 0.608 nan 8.270 nan 0.000 0.451 51 F N 1.845 121.796 119.950 0.002 0.000 2.187 51 F HA -0.002 4.529 4.527 0.007 0.000 0.295 51 F C 0.694 176.555 175.800 0.102 0.000 1.091 51 F CA 0.884 58.902 58.000 0.029 0.000 1.308 51 F CB 0.187 39.181 39.000 -0.010 0.000 1.030 51 F HN -0.279 nan 8.300 nan 0.000 0.487 52 R N 1.367 121.853 120.500 -0.022 0.000 4.164 52 R HA 0.128 4.472 4.340 0.007 0.000 0.195 52 R C 0.655 176.938 176.300 -0.028 0.000 1.712 52 R CA 0.110 56.141 56.100 -0.116 0.000 1.457 52 R CB -0.046 30.143 30.300 -0.186 0.000 1.387 52 R HN 0.361 nan 8.270 nan 0.000 0.785 53 K N 0.568 120.959 120.400 -0.015 0.000 2.770 53 K HA 0.159 4.483 4.320 0.007 0.000 0.195 53 K C 0.900 177.503 176.600 0.005 0.000 1.515 53 K CA 0.076 56.365 56.287 0.003 0.000 1.199 53 K CB 0.683 33.189 32.500 0.011 0.000 1.681 53 K HN 0.259 nan 8.250 nan 0.000 0.586 54 M N -1.147 118.445 119.600 -0.013 0.000 2.906 54 M HA -0.261 4.223 4.480 0.007 0.000 0.181 54 M C 0.137 176.364 176.300 -0.122 0.000 0.645 54 M CA 1.410 56.675 55.300 -0.058 0.000 0.691 54 M CB -1.176 31.389 32.600 -0.059 0.000 2.494 54 M HN 0.232 nan 8.290 nan 0.000 0.276 74 I N 1.301 121.718 120.570 -0.255 0.000 2.229 74 I HA -0.278 3.896 4.170 0.007 0.000 0.250 74 I C 2.217 178.285 176.117 -0.082 0.000 1.096 74 I CA 2.934 64.034 61.300 -0.335 0.000 1.358 74 I CB -0.120 37.191 38.000 -1.148 0.000 1.047 74 I HN 0.735 nan 8.210 nan 0.000 0.422 75 T N -3.720 110.828 114.554 -0.010 0.000 3.320 75 T HA -0.006 4.348 4.350 0.007 0.000 0.258 75 T C 1.145 175.878 174.700 0.055 0.000 1.176 75 T CA 1.284 63.432 62.100 0.079 0.000 1.037 75 T CB -0.817 68.108 68.868 0.096 0.000 0.958 75 T HN 0.477 nan 8.240 nan 0.000 0.545 76 T N -0.097 114.478 114.554 0.034 0.000 2.980 76 T HA 0.315 4.669 4.350 0.007 0.000 0.252 76 T C 1.357 176.084 174.700 0.045 0.000 0.962 76 T CA -0.308 61.815 62.100 0.038 0.000 0.932 76 T CB 0.022 68.906 68.868 0.026 0.000 1.188 76 T HN 0.148 nan 8.240 nan 0.000 0.500 77 L N 1.270 122.518 121.223 0.043 0.000 2.044 77 L HA 0.171 4.515 4.340 0.007 0.000 0.205 77 L C 2.187 179.085 176.870 0.047 0.000 1.075 77 L CA 1.174 56.038 54.840 0.040 0.000 0.747 77 L CB -0.861 41.207 42.059 0.015 0.000 0.903 77 L HN 0.171 nan 8.230 nan 0.000 0.435 78 L N 0.725 121.993 121.223 0.075 0.000 1.994 78 L HA -0.104 4.241 4.340 0.007 0.000 0.208 78 L C -0.492 176.432 176.870 0.090 0.000 1.071 78 L CA 2.108 57.015 54.840 0.110 0.000 0.745 78 L CB -1.626 40.542 42.059 0.182 0.000 0.892 78 L HN 0.184 nan 8.230 nan 0.000 0.431 79 P HA -0.191 nan 4.420 nan 0.000 0.218 79 P C 1.281 178.610 177.300 0.049 0.000 1.149 79 P CA 1.616 64.755 63.100 0.065 0.000 0.817 79 P CB -0.069 31.667 31.700 0.059 0.000 0.785 80 K N -1.239 119.186 120.400 0.042 0.000 2.148 80 K HA -0.076 4.248 4.320 0.007 0.000 0.204 80 K C 2.205 178.816 176.600 0.018 0.000 1.050 80 K CA 1.178 57.483 56.287 0.029 0.000 0.942 80 K CB -0.361 32.156 32.500 0.027 0.000 0.724 80 K HN 0.037 nan 8.250 nan 0.000 0.446 81 M N 0.990 120.603 119.600 0.021 0.000 2.123 81 M HA -0.025 4.460 4.480 0.007 0.000 0.263 81 M C 1.680 177.985 176.300 0.009 0.000 1.069 81 M CA 1.444 56.746 55.300 0.004 0.000 1.133 81 M CB -0.037 32.569 32.600 0.011 0.000 1.356 81 M HN 0.028 nan 8.290 nan 0.000 0.415 82 I N 0.117 120.711 120.570 0.039 0.000 2.208 82 I HA -0.284 3.890 4.170 0.007 0.000 0.245 82 I C 2.392 178.533 176.117 0.041 0.000 1.097 82 I CA 1.277 62.608 61.300 0.052 0.000 1.363 82 I CB -0.890 37.154 38.000 0.074 0.000 1.051 82 I HN 0.390 nan 8.210 nan 0.000 0.413 83 A N 0.763 123.605 122.820 0.037 0.000 1.933 83 A HA -0.256 4.068 4.320 0.007 0.000 0.218 83 A C 2.341 179.939 177.584 0.024 0.000 1.175 83 A CA 2.000 54.059 52.037 0.036 0.000 0.628 83 A CB -0.517 18.503 19.000 0.033 0.000 0.814 83 A HN 0.321 nan 8.150 nan 0.000 0.444 84 R N 0.308 120.809 120.500 0.002 0.000 2.066 84 R HA 0.020 4.364 4.340 0.007 0.000 0.232 84 R C 1.767 178.047 176.300 -0.034 0.000 1.131 84 R CA 1.772 57.863 56.100 -0.016 0.000 0.955 84 R CB -0.782 29.488 30.300 -0.049 0.000 0.851 84 R HN 0.530 nan 8.270 nan 0.000 0.432 85 I N 0.577 121.095 120.570 -0.086 0.000 2.208 85 I HA -0.323 3.852 4.170 0.007 0.000 0.245 85 I C 1.726 177.658 176.117 -0.309 0.000 1.097 85 I CA 2.023 63.188 61.300 -0.224 0.000 1.363 85 I CB -0.486 37.415 38.000 -0.165 0.000 1.051 85 I HN 0.343 nan 8.210 nan 0.000 0.413 86 N N 0.466 119.143 118.700 -0.038 0.000 2.188 86 N HA -0.177 4.568 4.740 0.007 0.000 0.184 86 N C 1.324 176.909 175.510 0.124 0.000 1.018 86 N CA 1.138 54.265 53.050 0.128 0.000 0.858 86 N CB -0.014 38.562 38.487 0.148 0.000 0.989 86 N HN 0.291 nan 8.380 nan 0.000 0.426 87 D N -0.185 120.262 120.400 0.078 0.000 2.144 87 D HA -0.141 4.503 4.640 0.007 0.000 0.200 87 D C 1.398 177.766 176.300 0.113 0.000 0.978 87 D CA 0.554 54.606 54.000 0.086 0.000 0.833 87 D CB -0.282 40.558 40.800 0.066 0.000 0.961 87 D HN 0.386 nan 8.370 nan 0.000 0.470 88 W N 0.652 121.886 121.300 -0.110 0.000 2.388 88 W HA -0.144 4.521 4.660 0.007 0.000 0.294 88 W C 1.638 178.172 176.519 0.026 0.000 1.212 88 W CA 0.937 58.217 57.345 -0.108 0.000 1.271 88 W CB -0.417 28.916 29.460 -0.212 0.000 1.126 88 W HN -0.180 nan 8.180 nan 0.000 0.535 89 F N 1.037 121.066 119.950 0.131 0.000 2.134 89 F HA -0.141 4.390 4.527 0.007 0.000 0.299 89 F C 2.278 178.045 175.800 -0.055 0.000 1.097 89 F CA 1.833 59.874 58.000 0.067 0.000 1.264 89 F CB -1.316 37.812 39.000 0.214 0.000 1.001 89 F HN -0.012 nan 8.300 nan 0.000 0.479 90 E N -0.061 120.234 120.200 0.158 0.000 2.106 90 E HA -0.191 4.163 4.350 0.007 0.000 0.192 90 E C 2.008 178.582 176.600 -0.043 0.000 0.984 90 E CA 1.276 57.709 56.400 0.055 0.000 0.806 90 E CB -0.237 29.501 29.700 0.064 0.000 0.750 90 E HN 0.529 nan 8.360 nan 0.000 0.458 91 E N 0.326 120.473 120.200 -0.089 0.000 2.072 91 E HA -0.126 4.228 4.350 0.007 0.000 0.190 91 E C 2.192 178.642 176.600 -0.249 0.000 0.982 91 E CA 0.892 57.208 56.400 -0.139 0.000 0.803 91 E CB 0.143 29.777 29.700 -0.110 0.000 0.755 91 E HN 0.052 nan 8.360 nan 0.000 0.453 92 V N 1.569 121.227 119.914 -0.428 0.000 2.358 92 V HA -0.229 3.896 4.120 0.007 0.000 0.246 92 V C 2.025 177.822 176.094 -0.495 0.000 1.047 92 V CA 1.661 63.600 62.300 -0.602 0.000 1.035 92 V CB -0.311 30.863 31.823 -1.082 0.000 0.658 92 V HN 0.163 nan 8.190 nan 0.000 0.452 93 K N 0.263 120.443 120.400 -0.366 0.000 2.211 93 K HA -0.049 4.275 4.320 0.007 0.000 0.203 93 K C 2.216 178.722 176.600 -0.157 0.000 1.050 93 K CA 1.282 57.430 56.287 -0.232 0.000 0.945 93 K CB -0.300 32.147 32.500 -0.089 0.000 0.732 93 K HN 0.479 nan 8.250 nan 0.000 0.451 94 A N 1.692 124.430 122.820 -0.137 0.000 1.929 94 A HA -0.064 4.261 4.320 0.007 0.000 0.216 94 A C 0.777 178.299 177.584 -0.103 0.000 1.176 94 A CA 0.836 52.816 52.037 -0.096 0.000 0.628 94 A CB -0.043 18.913 19.000 -0.073 0.000 0.816 94 A HN 0.126 nan 8.150 nan 0.000 0.444 95 K N 0.196 120.515 120.400 -0.136 0.000 2.180 95 K HA 0.313 4.637 4.320 0.007 0.000 0.251 95 K C 0.449 176.975 176.600 -0.123 0.000 1.014 95 K CA -0.316 55.898 56.287 -0.122 0.000 0.913 95 K CB 0.538 32.956 32.500 -0.137 0.000 1.008 95 K HN 0.614 nan 8.250 nan 0.000 0.490 96 R N -0.446 119.998 120.500 -0.094 0.000 2.705 96 R HA 0.655 4.999 4.340 0.007 0.000 0.246 96 R C 0.211 176.461 176.300 -0.083 0.000 1.142 96 R CA -0.292 55.759 56.100 -0.083 0.000 1.114 96 R CB 0.441 30.706 30.300 -0.059 0.000 1.256 96 R HN 0.695 nan 8.270 nan 0.000 0.536 97 G N 0.453 109.212 108.800 -0.069 0.000 2.693 97 G HA2 -0.307 3.657 3.960 0.007 0.000 0.226 97 G HA3 -0.307 3.657 3.960 0.007 0.000 0.226 97 G C -1.042 173.816 174.900 -0.070 0.000 1.354 97 G CA 0.084 45.149 45.100 -0.059 0.000 0.873 97 G HN 0.826 nan 8.290 nan 0.000 0.562 98 K N 0.382 120.750 120.400 -0.053 0.000 2.416 98 K HA 0.364 4.688 4.320 0.007 0.000 0.283 98 K C 0.610 177.167 176.600 -0.072 0.000 1.037 98 K CA -0.104 56.153 56.287 -0.049 0.000 0.995 98 K CB 0.215 32.701 32.500 -0.023 0.000 0.938 98 K HN 0.490 nan 8.250 nan 0.000 0.475 99 R N 4.262 124.705 120.500 -0.095 0.000 2.490 99 R HA 0.243 4.587 4.340 0.007 0.000 0.278 99 R C -2.281 174.008 176.300 -0.018 0.000 1.069 99 R CA -1.657 54.349 56.100 -0.156 0.000 1.080 99 R CB 0.138 30.263 30.300 -0.292 0.000 1.030 99 R HN 0.545 nan 8.270 nan 0.000 0.491 100 P HA -0.053 nan 4.420 nan 0.000 0.263 100 P C 0.164 177.613 177.300 0.249 0.000 1.175 100 P CA 0.436 63.660 63.100 0.206 0.000 0.761 100 P CB 0.489 32.423 31.700 0.390 0.000 0.794 101 T N 1.699 116.348 114.554 0.158 0.000 2.759 101 T HA -0.220 4.134 4.350 0.007 0.000 0.269 101 T C 1.712 176.573 174.700 0.268 0.000 1.042 101 T CA 1.859 63.988 62.100 0.049 0.000 1.140 101 T CB -0.469 68.095 68.868 -0.507 0.000 0.864 101 T HN 0.504 nan 8.240 nan 0.000 0.455 102 A N 0.864 123.904 122.820 0.366 0.000 2.014 102 A HA 0.074 4.398 4.320 0.007 0.000 0.218 102 A C 1.918 179.819 177.584 0.527 0.000 1.163 102 A CA 0.886 53.182 52.037 0.432 0.000 0.652 102 A CB -0.903 18.331 19.000 0.390 0.000 0.808 102 A HN 0.476 nan 8.150 nan 0.000 0.449 103 F N 0.995 121.221 119.950 0.459 0.000 2.043 103 F HA -0.304 4.227 4.527 0.007 0.000 0.297 103 F C 2.385 178.293 175.800 0.180 0.000 1.118 103 F CA 2.576 60.815 58.000 0.398 0.000 1.202 103 F CB -0.481 38.576 39.000 0.095 0.000 0.965 103 F HN 0.321 nan 8.300 nan 0.000 0.482 104 Q N -1.062 118.670 119.800 -0.113 0.000 2.224 104 Q HA -0.141 4.203 4.340 0.007 0.000 0.203 104 Q C 2.112 177.826 176.000 -0.477 0.000 0.970 104 Q CA 1.520 57.058 55.803 -0.441 0.000 0.865 104 Q CB -0.316 28.206 28.738 -0.361 0.000 0.922 104 Q HN 0.499 nan 8.270 nan 0.000 0.445 105 F N -0.210 119.605 119.950 -0.225 0.000 2.367 105 F HA -0.037 4.495 4.527 0.007 0.000 0.298 105 F C 1.674 177.431 175.800 -0.072 0.000 1.094 105 F CA 0.601 58.422 58.000 -0.300 0.000 1.409 105 F CB 0.166 38.802 39.000 -0.606 0.000 1.064 105 F HN -0.007 nan 8.300 nan 0.000 0.528 106 L N -0.436 120.886 121.223 0.165 0.000 2.554 106 L HA -0.016 4.328 4.340 0.007 0.000 0.226 106 L C 1.804 178.731 176.870 0.094 0.000 1.137 106 L CA 0.562 55.543 54.840 0.235 0.000 0.863 106 L CB -0.243 42.071 42.059 0.425 0.000 0.985 106 L HN 0.168 nan 8.230 nan 0.000 0.451 107 Q N -0.118 119.565 119.800 -0.196 0.000 2.246 107 Q HA -0.013 4.332 4.340 0.007 0.000 0.202 107 Q C 1.274 177.145 176.000 -0.214 0.000 0.883 107 Q CA 0.015 55.586 55.803 -0.386 0.000 0.952 107 Q CB 0.457 28.761 28.738 -0.723 0.000 1.078 107 Q HN 0.493 nan 8.270 nan 0.000 0.493 108 E N -0.351 119.799 120.200 -0.084 0.000 2.230 108 E HA 0.037 4.391 4.350 0.007 0.000 0.192 108 E C 0.155 176.741 176.600 -0.024 0.000 0.987 108 E CA 0.472 56.849 56.400 -0.038 0.000 0.841 108 E CB 0.523 30.267 29.700 0.074 0.000 0.783 108 E HN 0.343 nan 8.360 nan 0.000 0.481 109 I N 0.433 121.017 120.570 0.023 0.000 2.863 109 I HA 0.218 4.392 4.170 0.007 0.000 0.311 109 I C 0.154 176.290 176.117 0.032 0.000 1.026 109 I CA -1.138 60.179 61.300 0.028 0.000 1.077 109 I CB 1.321 39.368 38.000 0.078 0.000 1.262 109 I HN -0.249 nan 8.210 nan 0.000 0.461 110 K N 4.234 124.651 120.400 0.030 0.000 2.368 110 K HA 0.172 4.496 4.320 0.007 0.000 0.282 110 K C -1.610 175.053 176.600 0.105 0.000 1.035 110 K CA -1.334 54.983 56.287 0.049 0.000 0.973 110 K CB 0.925 33.443 32.500 0.029 0.000 0.957 110 K HN 0.259 nan 8.250 nan 0.000 0.474 111 P HA -0.209 nan 4.420 nan 0.000 0.218 111 P C 0.151 177.538 177.300 0.145 0.000 1.146 111 P CA 1.428 64.655 63.100 0.212 0.000 0.820 111 P CB 0.311 32.170 31.700 0.266 0.000 0.778 112 E N -0.034 120.234 120.200 0.113 0.000 2.072 112 E HA -0.086 4.268 4.350 0.007 0.000 0.191 112 E C 2.265 178.936 176.600 0.117 0.000 0.985 112 E CA 1.597 58.057 56.400 0.100 0.000 0.801 112 E CB -1.054 28.685 29.700 0.066 0.000 0.750 112 E HN 0.222 nan 8.360 nan 0.000 0.452 113 A N 0.197 123.077 122.820 0.100 0.000 2.016 113 A HA -0.053 4.272 4.320 0.007 0.000 0.217 113 A C 2.355 180.041 177.584 0.170 0.000 1.162 113 A CA 0.747 52.856 52.037 0.119 0.000 0.662 113 A CB -0.355 18.685 19.000 0.066 0.000 0.812 113 A HN 0.135 nan 8.150 nan 0.000 0.450 114 V N 0.019 120.022 119.914 0.148 0.000 2.343 114 V HA -0.268 3.856 4.120 0.007 0.000 0.247 114 V C 3.023 179.189 176.094 0.119 0.000 1.051 114 V CA 1.981 64.367 62.300 0.143 0.000 1.036 114 V CB -1.180 30.742 31.823 0.165 0.000 0.654 114 V HN 0.591 nan 8.190 nan 0.000 0.451 115 A N -1.080 121.814 122.820 0.124 0.000 1.898 115 A HA -0.235 4.089 4.320 0.007 0.000 0.216 115 A C 2.159 179.821 177.584 0.129 0.000 1.181 115 A CA 1.823 53.921 52.037 0.101 0.000 0.620 115 A CB -0.768 18.293 19.000 0.102 0.000 0.819 115 A HN 0.600 nan 8.150 nan 0.000 0.442 116 Y N 0.638 120.970 120.300 0.054 0.000 2.128 116 Y HA -0.228 4.326 4.550 0.007 0.000 0.284 116 Y C 2.006 177.904 175.900 -0.003 0.000 1.154 116 Y CA 1.994 60.130 58.100 0.059 0.000 1.149 116 Y CB -0.246 38.250 38.460 0.060 0.000 0.976 116 Y HN 0.285 nan 8.280 nan 0.000 0.505 117 I N -0.989 119.625 120.570 0.074 0.000 2.252 117 I HA -0.319 3.855 4.170 0.007 0.000 0.245 117 I C 2.175 178.232 176.117 -0.100 0.000 1.102 117 I CA 1.735 63.008 61.300 -0.045 0.000 1.385 117 I CB -0.710 37.322 38.000 0.053 0.000 1.064 117 I HN 0.185 nan 8.210 nan 0.000 0.414 118 T N 1.436 115.968 114.554 -0.036 0.000 2.720 118 T HA -0.123 4.231 4.350 0.007 0.000 0.268 118 T C 1.940 176.600 174.700 -0.066 0.000 1.037 118 T CA 1.209 63.286 62.100 -0.038 0.000 1.144 118 T CB -0.116 68.742 68.868 -0.018 0.000 0.864 118 T HN 0.142 nan 8.240 nan 0.000 0.444 119 I N 1.221 121.746 120.570 -0.074 0.000 2.202 119 I HA -0.069 4.105 4.170 0.007 0.000 0.242 119 I C 2.337 178.428 176.117 -0.042 0.000 1.091 119 I CA 1.319 62.599 61.300 -0.033 0.000 1.368 119 I CB -1.016 37.006 38.000 0.036 0.000 1.058 119 I HN 0.275 nan 8.210 nan 0.000 0.410 120 K N 0.649 120.822 120.400 -0.378 0.000 1.991 120 K HA -0.162 4.163 4.320 0.007 0.000 0.212 120 K C 2.114 178.502 176.600 -0.353 0.000 1.049 120 K CA 2.317 58.068 56.287 -0.894 0.000 0.932 120 K CB -0.384 31.419 32.500 -1.162 0.000 0.717 120 K HN 0.307 nan 8.250 nan 0.000 0.441 121 T N 0.731 115.145 114.554 -0.232 0.000 2.746 121 T HA -0.119 4.236 4.350 0.007 0.000 0.267 121 T C 1.981 176.651 174.700 -0.050 0.000 1.039 121 T CA 1.862 63.894 62.100 -0.113 0.000 1.142 121 T CB -0.485 68.338 68.868 -0.075 0.000 0.866 121 T HN 0.290 nan 8.240 nan 0.000 0.444 122 T N 2.376 116.905 114.554 -0.041 0.000 2.746 122 T HA 0.034 4.388 4.350 0.007 0.000 0.267 122 T C 1.979 176.679 174.700 -0.000 0.000 1.039 122 T CA 0.853 62.940 62.100 -0.021 0.000 1.142 122 T CB -0.449 68.399 68.868 -0.034 0.000 0.866 122 T HN 0.225 nan 8.240 nan 0.000 0.444 123 L N 0.516 121.763 121.223 0.040 0.000 2.056 123 L HA -0.022 4.323 4.340 0.007 0.000 0.207 123 L C 2.989 179.912 176.870 0.089 0.000 1.078 123 L CA 1.074 55.968 54.840 0.090 0.000 0.749 123 L CB -0.550 41.653 42.059 0.240 0.000 0.901 123 L HN 0.249 nan 8.230 nan 0.000 0.433 124 A N -1.136 121.731 122.820 0.079 0.000 1.933 124 A HA -0.216 4.108 4.320 0.007 0.000 0.218 124 A C 2.320 179.922 177.584 0.030 0.000 1.175 124 A CA 1.749 53.820 52.037 0.056 0.000 0.628 124 A CB -1.056 17.951 19.000 0.012 0.000 0.814 124 A HN 0.552 nan 8.150 nan 0.000 0.444 125 C N -1.181 118.128 119.300 0.015 0.000 2.450 125 C HA 0.140 4.605 4.460 0.007 0.000 0.279 125 C C 2.473 177.470 174.990 0.012 0.000 1.335 125 C CA 0.707 59.730 59.018 0.010 0.000 1.749 125 C CB -1.256 26.485 27.740 0.003 0.000 1.963 125 C HN 0.604 nan 8.230 nan 0.000 0.501 126 L N -0.058 121.174 121.223 0.014 0.000 2.354 126 L HA -0.010 4.335 4.340 0.007 0.000 0.212 126 L C 2.544 179.424 176.870 0.017 0.000 1.091 126 L CA 1.035 55.882 54.840 0.012 0.000 0.828 126 L CB -0.563 41.498 42.059 0.004 0.000 0.973 126 L HN 0.298 nan 8.230 nan 0.000 0.461 127 T N -1.048 113.522 114.554 0.026 0.000 2.809 127 T HA -0.106 4.248 4.350 0.007 0.000 0.260 127 T C 1.783 176.499 174.700 0.026 0.000 1.039 127 T CA 1.521 63.638 62.100 0.029 0.000 1.141 127 T CB -0.137 68.755 68.868 0.040 0.000 0.869 127 T HN 0.384 nan 8.240 nan 0.000 0.437 128 S N 0.698 116.414 115.700 0.027 0.000 2.671 128 S HA 0.631 5.105 4.470 0.007 0.000 0.220 128 S C 0.366 174.976 174.600 0.017 0.000 0.951 128 S CA -0.408 57.807 58.200 0.023 0.000 0.932 128 S CB -0.084 63.132 63.200 0.026 0.000 0.777 128 S HN 0.521 nan 8.310 nan 0.000 0.508 129 A N 0.699 123.528 122.820 0.015 0.000 2.488 129 A HA 0.633 4.957 4.320 0.007 0.000 0.298 129 A C -1.755 175.835 177.584 0.009 0.000 1.044 129 A CA -0.805 51.239 52.037 0.011 0.000 0.693 129 A CB 1.157 20.163 19.000 0.009 0.000 1.272 129 A HN 0.154 nan 8.150 nan 0.000 0.402 130 D N 1.778 122.183 120.400 0.008 0.000 2.540 130 D HA 0.360 5.004 4.640 0.007 0.000 0.251 130 D C 0.382 176.684 176.300 0.004 0.000 1.159 130 D CA 0.330 54.333 54.000 0.006 0.000 0.974 130 D CB 0.346 41.150 40.800 0.007 0.000 0.996 130 D HN 0.668 nan 8.370 nan 0.000 0.512 131 N N -0.188 118.515 118.700 0.004 0.000 2.669 131 N HA 0.179 4.923 4.740 0.007 0.000 0.156 131 N C -0.869 174.644 175.510 0.004 0.000 1.757 131 N CA -0.291 52.761 53.050 0.004 0.000 1.289 131 N CB 0.926 39.415 38.487 0.003 0.000 0.887 131 N HN 0.151 nan 8.380 nan 0.000 0.586 132 T N -0.507 114.049 114.554 0.005 0.000 2.881 132 T HA 0.294 4.648 4.350 0.007 0.000 0.290 132 T C -0.278 174.422 174.700 -0.001 0.000 1.000 132 T CA -0.576 61.526 62.100 0.002 0.000 0.978 132 T CB 1.565 70.435 68.868 0.003 0.000 0.997 132 T HN 0.180 nan 8.240 nan 0.000 0.443 133 T N 1.876 116.428 114.554 -0.003 0.000 2.946 133 T HA 0.050 4.404 4.350 0.007 0.000 0.311 133 T C 1.474 176.166 174.700 -0.014 0.000 1.063 133 T CA 0.282 62.376 62.100 -0.010 0.000 1.139 133 T CB 0.605 69.467 68.868 -0.010 0.000 0.994 133 T HN 0.717 nan 8.240 nan 0.000 0.547 134 V N 4.573 124.469 119.914 -0.029 0.000 2.343 134 V HA -0.153 3.972 4.120 0.007 0.000 0.247 134 V C 2.545 178.625 176.094 -0.025 0.000 1.051 134 V CA 2.507 64.784 62.300 -0.038 0.000 1.036 134 V CB -0.639 31.133 31.823 -0.086 0.000 0.654 134 V HN 1.037 nan 8.190 nan 0.000 0.451 135 Q N -0.258 119.529 119.800 -0.022 0.000 2.488 135 Q HA 0.036 4.381 4.340 0.007 0.000 0.211 135 Q C 1.858 177.860 176.000 0.004 0.000 0.967 135 Q CA 1.335 57.132 55.803 -0.009 0.000 0.926 135 Q CB -0.294 28.438 28.738 -0.009 0.000 0.992 135 Q HN 0.638 nan 8.270 nan 0.000 0.506 136 A N 0.798 123.619 122.820 0.002 0.000 1.956 136 A HA 0.098 4.422 4.320 0.007 0.000 0.212 136 A C 2.182 179.771 177.584 0.008 0.000 1.188 136 A CA 0.433 52.475 52.037 0.007 0.000 0.675 136 A CB -0.132 18.871 19.000 0.005 0.000 0.845 136 A HN 0.180 nan 8.150 nan 0.000 0.455 137 V N 0.208 120.125 119.914 0.004 0.000 2.323 137 V HA -0.166 3.958 4.120 0.007 0.000 0.244 137 V C 3.018 179.119 176.094 0.012 0.000 1.041 137 V CA 1.812 64.115 62.300 0.005 0.000 1.025 137 V CB -1.187 30.637 31.823 0.003 0.000 0.656 137 V HN 0.542 nan 8.190 nan 0.000 0.451 138 A N -0.567 122.262 122.820 0.015 0.000 1.933 138 A HA -0.229 4.096 4.320 0.007 0.000 0.218 138 A C 2.547 180.155 177.584 0.040 0.000 1.175 138 A CA 2.202 54.256 52.037 0.028 0.000 0.628 138 A CB -0.692 18.321 19.000 0.021 0.000 0.814 138 A HN 0.470 nan 8.150 nan 0.000 0.444 139 S N -0.602 115.118 115.700 0.033 0.000 2.368 139 S HA 0.030 4.504 4.470 0.007 0.000 0.224 139 S C 2.153 176.772 174.600 0.032 0.000 1.029 139 S CA 1.386 59.611 58.200 0.041 0.000 0.988 139 S CB -0.408 62.814 63.200 0.036 0.000 0.838 139 S HN 0.776 nan 8.310 nan 0.000 0.462 140 A N 1.184 124.016 122.820 0.020 0.000 1.930 140 A HA 0.084 4.408 4.320 0.007 0.000 0.217 140 A C 2.060 179.649 177.584 0.009 0.000 1.175 140 A CA 1.217 53.259 52.037 0.009 0.000 0.627 140 A CB -0.626 18.375 19.000 0.002 0.000 0.815 140 A HN 0.617 nan 8.150 nan 0.000 0.443 141 I N -0.433 120.149 120.570 0.019 0.000 2.202 141 I HA -0.153 4.021 4.170 0.007 0.000 0.242 141 I C 2.739 178.890 176.117 0.057 0.000 1.091 141 I CA 1.076 62.392 61.300 0.027 0.000 1.368 141 I CB -0.711 37.306 38.000 0.029 0.000 1.058 141 I HN 0.378 nan 8.210 nan 0.000 0.410 142 G N 0.840 109.688 108.800 0.080 0.000 2.442 142 G HA2 -0.242 3.722 3.960 0.007 0.000 0.219 142 G HA3 -0.242 3.722 3.960 0.007 0.000 0.219 142 G C 1.824 176.751 174.900 0.045 0.000 1.141 142 G CA 0.567 45.748 45.100 0.135 0.000 0.763 142 G HN 0.309 nan 8.290 nan 0.000 0.554 143 R N 0.269 120.765 120.500 -0.006 0.000 2.115 143 R HA 0.142 4.486 4.340 0.007 0.000 0.226 143 R C 2.936 179.197 176.300 -0.066 0.000 1.100 143 R CA 0.966 57.021 56.100 -0.074 0.000 0.980 143 R CB -0.209 30.066 30.300 -0.041 0.000 0.875 143 R HN 0.360 nan 8.270 nan 0.000 0.445 144 A N 0.870 123.681 122.820 -0.015 0.000 1.970 144 A HA 0.005 4.330 4.320 0.007 0.000 0.216 144 A C 1.794 179.397 177.584 0.031 0.000 1.170 144 A CA 0.720 52.763 52.037 0.009 0.000 0.645 144 A CB 0.014 19.019 19.000 0.008 0.000 0.816 144 A HN 0.105 nan 8.150 nan 0.000 0.447 145 I N -0.222 120.380 120.570 0.054 0.000 3.749 145 I HA 0.012 4.187 4.170 0.007 0.000 0.314 145 I C 1.737 177.927 176.117 0.122 0.000 1.267 145 I CA 0.763 62.134 61.300 0.119 0.000 1.169 145 I CB -0.467 37.643 38.000 0.184 0.000 1.009 145 I HN 0.547 nan 8.210 nan 0.000 0.444 146 E N 1.366 121.513 120.200 -0.089 0.000 2.290 146 E HA -0.053 4.302 4.350 0.007 0.000 0.197 146 E C -0.487 176.003 176.600 -0.184 0.000 0.948 146 E CA 0.452 56.616 56.400 -0.393 0.000 0.895 146 E CB 0.569 29.694 29.700 -0.958 0.000 0.865 146 E HN 0.408 nan 8.360 nan 0.000 0.486 147 D N 1.677 122.037 120.400 -0.066 0.000 2.552 147 D HA 0.143 4.787 4.640 0.007 0.000 0.285 147 D C -0.460 175.885 176.300 0.074 0.000 1.206 147 D CA -0.327 53.681 54.000 0.014 0.000 0.826 147 D CB 0.523 41.427 40.800 0.173 0.000 1.179 147 D HN -0.030 nan 8.370 nan 0.000 0.508 148 E N 0.697 120.931 120.200 0.058 0.000 3.221 148 E HA -0.348 4.007 4.350 0.007 0.000 0.267 148 E C 1.570 178.158 176.600 -0.020 0.000 1.421 148 E CA 0.796 57.217 56.400 0.035 0.000 1.922 148 E CB -1.764 27.962 29.700 0.044 0.000 2.010 148 E HN 0.521 nan 8.360 nan 0.000 0.520 149 A N 1.008 123.819 122.820 -0.015 0.000 2.018 149 A HA -0.405 3.919 4.320 0.007 0.000 0.316 149 A C 1.754 179.264 177.584 -0.123 0.000 4.379 149 A CA 5.496 57.498 52.037 -0.059 0.000 1.023 149 A CB -0.659 18.275 19.000 -0.109 0.000 0.534 149 A HN 0.949 nan 8.150 nan 0.000 0.453 150 R N -6.274 114.090 120.500 -0.228 0.000 3.533 150 R HA 0.178 4.522 4.340 0.007 0.000 0.028 150 R C 0.255 176.105 176.300 -0.751 0.000 0.822 150 R CA 1.302 57.158 56.100 -0.405 0.000 3.036 150 R CB -0.962 29.234 30.300 -0.174 0.000 0.845 150 R HN 0.746 nan 8.270 nan 0.000 0.535 151 F N -1.519 118.414 119.950 -0.029 0.000 2.841 151 F HA 0.369 4.900 4.527 0.007 0.000 0.410 151 F C 1.341 177.120 175.800 -0.035 0.000 0.898 151 F CA 0.330 58.302 58.000 -0.046 0.000 0.967 151 F CB 0.137 39.083 39.000 -0.089 0.000 1.227 151 F HN 0.344 nan 8.300 nan 0.000 0.570 152 G N 0.480 109.372 108.800 0.154 0.000 2.456 152 G HA2 -0.182 3.783 3.960 0.007 0.000 0.213 152 G HA3 -0.182 3.783 3.960 0.007 0.000 0.213 152 G C 1.598 176.571 174.900 0.122 0.000 1.215 152 G CA 0.924 46.111 45.100 0.144 0.000 0.805 152 G HN 0.192 nan 8.290 nan 0.000 0.537 153 R N 0.266 120.810 120.500 0.074 0.000 2.174 153 R HA -0.128 4.216 4.340 0.007 0.000 0.253 153 R C 2.351 178.690 176.300 0.065 0.000 1.165 153 R CA 1.657 57.785 56.100 0.048 0.000 0.984 153 R CB -0.459 29.844 30.300 0.006 0.000 0.873 153 R HN 0.467 nan 8.270 nan 0.000 0.456 154 I N -0.041 120.579 120.570 0.084 0.000 2.439 154 I HA -0.161 4.014 4.170 0.007 0.000 0.251 154 I C 2.406 178.617 176.117 0.156 0.000 1.139 154 I CA 0.984 62.352 61.300 0.113 0.000 1.438 154 I CB -0.235 37.842 38.000 0.128 0.000 1.085 154 I HN 0.134 nan 8.210 nan 0.000 0.427 155 R N 0.921 121.524 120.500 0.171 0.000 2.096 155 R HA -0.215 4.129 4.340 0.007 0.000 0.240 155 R C 1.885 178.328 176.300 0.238 0.000 1.139 155 R CA 2.030 58.277 56.100 0.244 0.000 0.952 155 R CB -0.620 29.875 30.300 0.324 0.000 0.854 155 R HN 0.350 nan 8.270 nan 0.000 0.436 156 D N 0.630 121.122 120.400 0.154 0.000 2.104 156 D HA -0.155 4.490 4.640 0.007 0.000 0.194 156 D C 1.977 178.285 176.300 0.013 0.000 0.994 156 D CA 1.171 55.211 54.000 0.066 0.000 0.830 156 D CB -0.237 40.574 40.800 0.018 0.000 0.959 156 D HN 0.199 nan 8.370 nan 0.000 0.452 157 L N 0.266 121.510 121.223 0.035 0.000 2.156 157 L HA -0.068 4.276 4.340 0.007 0.000 0.208 157 L C 2.365 179.249 176.870 0.024 0.000 1.095 157 L CA 0.903 55.745 54.840 0.002 0.000 0.770 157 L CB -0.198 41.885 42.059 0.040 0.000 0.914 157 L HN -0.003 nan 8.230 nan 0.000 0.439 158 E N 0.145 120.431 120.200 0.144 0.000 2.216 158 E HA -0.125 4.230 4.350 0.007 0.000 0.192 158 E C 2.211 178.869 176.600 0.098 0.000 0.988 158 E CA 0.737 57.292 56.400 0.259 0.000 0.834 158 E CB 0.126 30.020 29.700 0.323 0.000 0.772 158 E HN 0.433 nan 8.360 nan 0.000 0.479 159 A N 1.278 124.080 122.820 -0.030 0.000 2.015 159 A HA -0.176 4.148 4.320 0.007 0.000 0.219 159 A C 1.887 178.982 177.584 -0.815 0.000 1.163 159 A CA 1.178 52.930 52.037 -0.475 0.000 0.646 159 A CB -0.244 18.679 19.000 -0.127 0.000 0.806 159 A HN 0.109 nan 8.150 nan 0.000 0.448 160 K N -0.950 119.179 120.400 -0.452 0.000 2.103 160 K HA -0.220 4.105 4.320 0.007 0.000 0.207 160 K C 1.806 178.105 176.600 -0.503 0.000 1.048 160 K CA 1.887 57.903 56.287 -0.451 0.000 0.930 160 K CB -0.410 31.847 32.500 -0.405 0.000 0.716 160 K HN 0.716 nan 8.250 nan 0.000 0.444 161 H N -0.057 118.767 119.070 -0.410 0.000 2.290 161 H HA -0.170 4.390 4.556 0.007 0.000 0.298 161 H C 1.867 177.047 175.328 -0.247 0.000 1.087 161 H CA 2.277 58.100 56.048 -0.375 0.000 1.291 161 H CB -0.309 29.231 29.762 -0.370 0.000 1.369 161 H HN 0.386 nan 8.280 nan 0.000 0.492 162 F N 0.987 120.943 119.950 0.010 0.000 2.743 162 F HA 0.178 4.709 4.527 0.007 0.000 0.297 162 F C 1.468 177.274 175.800 0.011 0.000 1.131 162 F CA 0.066 58.079 58.000 0.022 0.000 1.426 162 F CB -0.046 38.972 39.000 0.030 0.000 1.116 162 F HN 0.037 nan 8.300 nan 0.000 0.583 163 K N 0.406 120.680 120.400 -0.210 0.000 2.397 163 K HA 0.237 4.561 4.320 0.007 0.000 0.202 163 K C 0.994 177.543 176.600 -0.084 0.000 1.022 163 K CA -0.208 56.023 56.287 -0.094 0.000 1.141 163 K CB 0.099 32.493 32.500 -0.176 0.000 0.857 163 K HN 0.198 nan 8.250 nan 0.000 0.514 164 K N 1.801 122.149 120.400 -0.087 0.000 1.974 164 K HA -0.051 4.274 4.320 0.007 0.000 0.211 164 K C 0.351 176.937 176.600 -0.023 0.000 1.039 164 K CA 1.454 57.696 56.287 -0.074 0.000 0.947 164 K CB -0.037 32.405 32.500 -0.097 0.000 0.735 164 K HN 0.325 nan 8.250 nan 0.000 0.441 165 N N 0.404 119.110 118.700 0.010 0.000 2.791 165 N HA 0.138 4.882 4.740 0.007 0.000 0.265 165 N C -0.680 174.859 175.510 0.048 0.000 1.580 165 N CA -0.519 52.546 53.050 0.026 0.000 0.809 165 N CB 0.591 39.093 38.487 0.025 0.000 1.178 165 N HN -0.006 nan 8.380 nan 0.000 0.499 181 A N 1.910 124.826 122.820 0.159 0.000 2.410 181 A HA 0.382 4.706 4.320 0.007 0.000 0.292 181 A C 0.183 177.967 177.584 0.334 0.000 1.232 181 A CA -0.038 52.127 52.037 0.215 0.000 0.893 181 A CB -0.878 18.192 19.000 0.117 0.000 1.131 181 A HN 0.715 nan 8.150 nan 0.000 0.530 182 F N 2.434 122.646 119.950 0.437 0.000 2.637 182 F HA 0.209 4.741 4.527 0.007 0.000 0.284 182 F C 1.171 177.405 175.800 0.724 0.000 1.105 182 F CA -0.010 58.785 58.000 1.325 0.000 1.356 182 F CB -0.129 39.538 39.000 1.111 0.000 1.096 182 F HN 0.418 nan 8.300 nan 0.000 0.616 183 M N 1.868 121.093 119.600 -0.625 0.000 3.484 183 M HA 0.318 4.802 4.480 0.007 0.000 0.196 183 M C -0.467 175.707 176.300 -0.209 0.000 1.359 183 M CA 0.112 55.046 55.300 -0.610 0.000 1.510 183 M CB -0.589 31.924 32.600 -0.145 0.000 1.284 183 M HN 0.273 nan 8.290 nan 0.000 0.463 184 Q N 1.330 121.058 119.800 -0.119 0.000 2.340 184 Q HA 0.475 4.819 4.340 0.007 0.000 0.268 184 Q C -1.373 174.553 176.000 -0.124 0.000 1.031 184 Q CA -0.672 55.087 55.803 -0.073 0.000 0.804 184 Q CB 2.291 31.009 28.738 -0.033 0.000 1.286 184 Q HN 0.434 nan 8.270 nan 0.000 0.448 185 V N 5.381 125.233 119.914 -0.102 0.000 2.572 185 V HA 0.279 4.403 4.120 0.007 0.000 0.291 185 V C -0.400 175.665 176.094 -0.047 0.000 1.039 185 V CA -0.245 62.017 62.300 -0.064 0.000 1.055 185 V CB 1.000 32.807 31.823 -0.026 0.000 0.969 185 V HN 0.743 nan 8.190 nan 0.000 0.482 186 V N 7.393 127.318 119.914 0.018 0.000 2.655 186 V HA 0.128 4.253 4.120 0.007 0.000 0.300 186 V C 0.724 176.856 176.094 0.064 0.000 1.044 186 V CA -0.366 61.940 62.300 0.011 0.000 1.095 186 V CB 0.767 32.694 31.823 0.174 0.000 0.952 186 V HN 0.868 nan 8.190 nan 0.000 0.485 187 E N 2.960 123.178 120.200 0.029 0.000 2.480 187 E HA 0.033 4.387 4.350 0.007 0.000 0.258 187 E C 1.118 177.750 176.600 0.052 0.000 0.984 187 E CA 0.547 56.969 56.400 0.038 0.000 0.930 187 E CB 1.154 30.874 29.700 0.034 0.000 0.936 187 E HN 0.783 nan 8.360 nan 0.000 0.466 188 A N 4.636 127.477 122.820 0.034 0.000 1.933 188 A HA -0.219 4.105 4.320 0.007 0.000 0.218 188 A C 1.570 179.168 177.584 0.023 0.000 1.175 188 A CA 1.831 53.879 52.037 0.019 0.000 0.628 188 A CB -0.175 18.827 19.000 0.004 0.000 0.814 188 A HN 0.661 nan 8.150 nan 0.000 0.444 189 D N -0.923 119.493 120.400 0.027 0.000 2.269 189 D HA -0.106 4.538 4.640 0.007 0.000 0.208 189 D C 1.509 177.830 176.300 0.035 0.000 0.963 189 D CA 0.763 54.779 54.000 0.027 0.000 0.864 189 D CB -0.395 40.419 40.800 0.024 0.000 0.936 189 D HN 0.343 nan 8.370 nan 0.000 0.505 190 M N 0.189 119.816 119.600 0.045 0.000 2.556 190 M HA 0.203 4.687 4.480 0.007 0.000 0.245 190 M C 0.650 176.992 176.300 0.071 0.000 1.128 190 M CA -0.035 55.297 55.300 0.054 0.000 1.069 190 M CB -0.174 32.460 32.600 0.057 0.000 1.469 190 M HN -0.013 nan 8.290 nan 0.000 0.494 191 L N 0.686 121.956 121.223 0.079 0.000 2.455 191 L HA 0.054 4.398 4.340 0.007 0.000 0.272 191 L C 1.052 177.968 176.870 0.076 0.000 1.174 191 L CA -0.175 54.726 54.840 0.101 0.000 0.869 191 L CB 0.517 42.624 42.059 0.081 0.000 1.130 191 L HN 0.073 nan 8.230 nan 0.000 0.474 192 S N 1.966 117.720 115.700 0.090 0.000 2.579 192 S HA 0.061 4.535 4.470 0.007 0.000 0.275 192 S C 1.137 175.774 174.600 0.062 0.000 1.345 192 S CA -0.390 57.853 58.200 0.072 0.000 1.031 192 S CB 0.720 63.968 63.200 0.081 0.000 0.892 192 S HN 0.618 nan 8.310 nan 0.000 0.529 193 K N 2.544 122.976 120.400 0.052 0.000 2.360 193 K HA -0.035 4.290 4.320 0.007 0.000 0.201 193 K C 1.579 178.212 176.600 0.054 0.000 1.046 193 K CA 0.914 57.229 56.287 0.047 0.000 0.945 193 K CB -0.302 32.222 32.500 0.041 0.000 0.750 193 K HN 0.722 nan 8.250 nan 0.000 0.464 194 G N 0.318 109.156 108.800 0.064 0.000 3.279 194 G HA2 0.063 4.027 3.960 0.007 0.000 0.230 194 G HA3 0.063 4.027 3.960 0.007 0.000 0.230 194 G C 0.849 175.800 174.900 0.085 0.000 1.230 194 G CA 0.009 45.153 45.100 0.074 0.000 0.891 194 G HN 0.130 nan 8.290 nan 0.000 0.518 195 L N -1.324 119.941 121.223 0.069 0.000 3.227 195 L HA 0.320 4.665 4.340 0.007 0.000 0.287 195 L C 2.082 178.951 176.870 -0.002 0.000 1.161 195 L CA 0.041 54.910 54.840 0.049 0.000 1.048 195 L CB 0.189 42.288 42.059 0.067 0.000 1.541 195 L HN 0.106 nan 8.230 nan 0.000 0.590 196 L N 0.249 121.482 121.223 0.016 0.000 2.209 196 L HA 0.156 4.500 4.340 0.007 0.000 0.207 196 L C 1.607 178.503 176.870 0.043 0.000 1.094 196 L CA 0.371 55.217 54.840 0.011 0.000 0.790 196 L CB -0.675 41.399 42.059 0.025 0.000 0.932 196 L HN 0.231 nan 8.230 nan 0.000 0.447 197 G N -0.582 108.255 108.800 0.063 0.000 2.690 197 G HA2 0.340 4.304 3.960 0.007 0.000 0.239 197 G HA3 0.340 4.304 3.960 0.007 0.000 0.239 197 G C 0.342 175.313 174.900 0.119 0.000 1.233 197 G CA 0.229 45.382 45.100 0.089 0.000 0.847 197 G HN 0.285 nan 8.290 nan 0.000 0.588 198 G N -1.350 107.538 108.800 0.146 0.000 3.259 198 G HA2 0.474 4.438 3.960 0.007 0.000 0.193 198 G HA3 0.474 4.438 3.960 0.007 0.000 0.193 198 G C -0.118 174.919 174.900 0.228 0.000 1.457 198 G CA 0.636 45.845 45.100 0.182 0.000 0.771 198 G HN 1.149 nan 8.290 nan 0.000 0.765 199 E N -1.222 119.103 120.200 0.209 0.000 2.987 199 E HA 0.000 4.355 4.350 0.007 0.000 0.173 199 E C 0.400 177.130 176.600 0.216 0.000 1.485 199 E CA 0.943 57.475 56.400 0.220 0.000 0.733 199 E CB -1.308 28.510 29.700 0.198 0.000 1.105 199 E HN 0.998 nan 8.360 nan 0.000 0.390 200 A N 2.465 125.383 122.820 0.163 0.000 2.308 200 A HA 0.330 4.654 4.320 0.007 0.000 0.217 200 A C -0.019 177.461 177.584 -0.173 0.000 1.216 200 A CA 0.088 52.117 52.037 -0.013 0.000 0.864 200 A CB 0.161 19.131 19.000 -0.049 0.000 0.902 200 A HN 0.362 nan 8.150 nan 0.000 0.499 201 W N -1.157 120.157 121.300 0.024 0.000 2.689 201 W HA 0.486 5.150 4.660 0.006 0.000 0.340 201 W C 0.602 177.105 176.519 -0.028 0.000 1.060 201 W CA -0.622 56.718 57.345 -0.008 0.000 1.218 201 W CB 1.424 30.871 29.460 -0.022 0.000 1.410 201 W HN -0.019 nan 8.180 nan 0.000 0.528 202 S N 2.814 118.652 115.700 0.230 0.000 2.560 202 S HA 0.061 4.535 4.470 0.007 0.000 0.323 202 S C 0.845 175.470 174.600 0.042 0.000 1.191 202 S CA -0.040 58.203 58.200 0.072 0.000 1.231 202 S CB -0.864 62.376 63.200 0.067 0.000 1.224 202 S HN 0.489 nan 8.310 nan 0.000 0.545 203 S N 5.407 121.072 115.700 -0.057 0.000 2.775 203 S HA 0.145 4.619 4.470 0.007 0.000 0.250 203 S C 0.062 174.678 174.600 0.027 0.000 1.391 203 S CA -0.016 58.156 58.200 -0.048 0.000 0.972 203 S CB -0.548 62.587 63.200 -0.108 0.000 0.963 203 S HN 0.863 nan 8.310 nan 0.000 0.570 204 W N -1.397 119.861 121.300 -0.071 0.000 3.076 204 W HA -0.140 4.524 4.660 0.007 0.000 0.173 204 W C 0.022 176.405 176.519 -0.226 0.000 0.633 204 W CA 0.184 57.442 57.345 -0.145 0.000 0.459 204 W CB -1.607 27.743 29.460 -0.183 0.000 2.854 204 W HN 0.803 nan 8.180 nan 0.000 0.416 205 H N 2.489 121.668 119.070 0.182 0.000 2.640 205 H HA 0.108 4.668 4.556 0.007 0.000 0.297 205 H C 1.379 176.764 175.328 0.095 0.000 1.073 205 H CA -0.332 55.776 56.048 0.100 0.000 1.305 205 H CB 1.287 31.082 29.762 0.055 0.000 1.404 205 H HN 0.166 nan 8.280 nan 0.000 0.459 206 K N 3.126 123.645 120.400 0.198 0.000 2.265 206 K HA -0.300 4.024 4.320 0.007 0.000 0.210 206 K C 1.068 177.759 176.600 0.152 0.000 1.036 206 K CA 1.766 58.143 56.287 0.150 0.000 0.934 206 K CB 0.246 32.819 32.500 0.123 0.000 0.765 206 K HN 0.626 nan 8.250 nan 0.000 0.485 207 E N 0.397 120.701 120.200 0.173 0.000 2.031 207 E HA -0.134 4.221 4.350 0.007 0.000 0.193 207 E C 1.771 178.520 176.600 0.248 0.000 0.994 207 E CA 1.537 58.053 56.400 0.192 0.000 0.800 207 E CB -0.249 29.554 29.700 0.171 0.000 0.752 207 E HN 0.331 nan 8.360 nan 0.000 0.447 208 D N -0.278 120.198 120.400 0.126 0.000 2.182 208 D HA -0.127 4.517 4.640 0.007 0.000 0.201 208 D C 1.893 178.171 176.300 -0.036 0.000 0.986 208 D CA 1.041 54.967 54.000 -0.124 0.000 0.847 208 D CB -0.354 40.139 40.800 -0.511 0.000 0.942 208 D HN 0.042 nan 8.370 nan 0.000 0.467 209 S N -0.363 115.424 115.700 0.145 0.000 2.387 209 S HA -0.060 4.414 4.470 0.007 0.000 0.226 209 S C 1.893 176.587 174.600 0.157 0.000 1.026 209 S CA 0.316 58.647 58.200 0.218 0.000 0.972 209 S CB 0.021 63.330 63.200 0.181 0.000 0.814 209 S HN 0.070 nan 8.310 nan 0.000 0.477 210 I N 1.563 122.211 120.570 0.130 0.000 2.286 210 I HA -0.100 4.074 4.170 0.007 0.000 0.245 210 I C 2.297 178.457 176.117 0.071 0.000 1.104 210 I CA 1.346 62.693 61.300 0.077 0.000 1.397 210 I CB -1.849 36.170 38.000 0.032 0.000 1.072 210 I HN 0.439 nan 8.210 nan 0.000 0.417 211 H N 0.686 119.787 119.070 0.051 0.000 2.321 211 H HA -0.148 4.413 4.556 0.007 0.000 0.295 211 H C 2.498 177.872 175.328 0.077 0.000 1.102 211 H CA 1.979 58.067 56.048 0.066 0.000 1.266 211 H CB -0.125 29.675 29.762 0.063 0.000 1.363 211 H HN 0.126 nan 8.280 nan 0.000 0.492 212 V N 0.243 120.282 119.914 0.209 0.000 2.287 212 V HA -0.232 3.892 4.120 0.007 0.000 0.248 212 V C 2.790 178.953 176.094 0.115 0.000 1.053 212 V CA 1.938 64.345 62.300 0.179 0.000 1.027 212 V CB -1.086 30.878 31.823 0.234 0.000 0.646 212 V HN 0.564 nan 8.190 nan 0.000 0.447 213 G N -0.496 108.366 108.800 0.103 0.000 2.421 213 G HA2 -0.196 3.768 3.960 0.007 0.000 0.216 213 G HA3 -0.196 3.768 3.960 0.007 0.000 0.216 213 G C 1.686 176.615 174.900 0.048 0.000 1.171 213 G CA 1.185 46.323 45.100 0.064 0.000 0.775 213 G HN 0.365 nan 8.290 nan 0.000 0.543 214 V N 0.796 120.742 119.914 0.054 0.000 2.261 214 V HA -0.172 3.952 4.120 0.007 0.000 0.246 214 V C 2.985 179.117 176.094 0.063 0.000 1.047 214 V CA 2.146 64.499 62.300 0.088 0.000 1.015 214 V CB -0.462 31.395 31.823 0.057 0.000 0.642 214 V HN 0.189 nan 8.190 nan 0.000 0.446 215 R N -0.626 119.862 120.500 -0.019 0.000 2.120 215 R HA -0.114 4.230 4.340 0.007 0.000 0.234 215 R C 2.203 178.333 176.300 -0.283 0.000 1.123 215 R CA 1.687 57.669 56.100 -0.197 0.000 0.975 215 R CB -1.377 28.794 30.300 -0.215 0.000 0.866 215 R HN 0.527 nan 8.270 nan 0.000 0.446 216 C N -0.350 118.864 119.300 -0.144 0.000 2.446 216 C HA 0.033 4.497 4.460 0.007 0.000 0.277 216 C C 2.415 177.344 174.990 -0.102 0.000 1.275 216 C CA 0.371 59.314 59.018 -0.126 0.000 1.727 216 C CB -0.742 26.975 27.740 -0.038 0.000 2.010 216 C HN 0.433 nan 8.230 nan 0.000 0.486 217 I N 0.618 121.170 120.570 -0.030 0.000 2.315 217 I HA -0.182 3.993 4.170 0.007 0.000 0.248 217 I C 2.645 178.749 176.117 -0.021 0.000 1.117 217 I CA 1.459 62.778 61.300 0.032 0.000 1.404 217 I CB -0.608 37.475 38.000 0.139 0.000 1.071 217 I HN 0.444 nan 8.210 nan 0.000 0.419 218 E N 1.235 121.346 120.200 -0.149 0.000 2.077 218 E HA -0.239 4.115 4.350 0.007 0.000 0.193 218 E C 2.304 178.670 176.600 -0.390 0.000 0.989 218 E CA 1.366 57.461 56.400 -0.508 0.000 0.800 218 E CB 0.002 29.326 29.700 -0.626 0.000 0.746 218 E HN 0.433 nan 8.360 nan 0.000 0.452 219 M N 0.076 119.467 119.600 -0.349 0.000 2.492 219 M HA -0.057 4.427 4.480 0.007 0.000 0.262 219 M C 1.991 178.183 176.300 -0.181 0.000 1.090 219 M CA 0.295 55.413 55.300 -0.304 0.000 1.110 219 M CB 0.200 32.572 32.600 -0.379 0.000 1.407 219 M HN 0.165 nan 8.290 nan 0.000 0.470 220 L N 0.135 121.274 121.223 -0.140 0.000 2.418 220 L HA 0.101 4.445 4.340 0.007 0.000 0.218 220 L C 1.449 178.278 176.870 -0.067 0.000 1.125 220 L CA 1.385 56.173 54.840 -0.087 0.000 0.835 220 L CB -0.026 41.993 42.059 -0.065 0.000 0.953 220 L HN 0.201 nan 8.230 nan 0.000 0.454 221 I N -1.351 119.173 120.570 -0.076 0.000 3.904 221 I HA 0.045 4.220 4.170 0.007 0.000 0.333 221 I C 1.622 177.706 176.117 -0.054 0.000 1.361 221 I CA 0.005 61.282 61.300 -0.038 0.000 1.116 221 I CB -0.037 37.974 38.000 0.017 0.000 1.028 221 I HN 0.253 nan 8.210 nan 0.000 0.398 222 E N 1.446 121.600 120.200 -0.077 0.000 2.014 222 E HA -0.105 4.250 4.350 0.007 0.000 0.190 222 E C 0.980 177.566 176.600 -0.024 0.000 0.980 222 E CA 1.306 57.669 56.400 -0.062 0.000 0.807 222 E CB 0.116 29.767 29.700 -0.082 0.000 0.770 222 E HN 0.409 nan 8.360 nan 0.000 0.451 223 S N 0.131 115.824 115.700 -0.012 0.000 3.667 223 S HA -0.158 4.316 4.470 0.007 0.000 0.405 223 S C 0.425 175.008 174.600 -0.027 0.000 0.913 223 S CA 0.750 58.940 58.200 -0.017 0.000 1.288 223 S CB -2.131 61.052 63.200 -0.028 0.000 0.905 223 S HN 0.258 nan 8.310 nan 0.000 0.550 224 T N 0.936 115.485 114.554 -0.009 0.000 2.953 224 T HA 0.398 4.752 4.350 0.007 0.000 0.247 224 T C 1.246 175.967 174.700 0.035 0.000 1.029 224 T CA 0.615 62.731 62.100 0.027 0.000 1.144 224 T CB -0.203 68.709 68.868 0.074 0.000 0.870 224 T HN 1.170 nan 8.240 nan 0.000 0.446 225 G N 0.420 109.242 108.800 0.037 0.000 2.400 225 G HA2 0.496 4.460 3.960 0.007 0.000 0.301 225 G HA3 0.496 4.460 3.960 0.007 0.000 0.301 225 G C 0.615 175.527 174.900 0.019 0.000 1.154 225 G CA -0.603 44.507 45.100 0.016 0.000 0.852 225 G HN 0.224 nan 8.290 nan 0.000 0.511 226 M N 1.438 120.982 119.600 -0.094 0.000 2.254 226 M HA 0.069 4.554 4.480 0.007 0.000 0.265 226 M C 0.664 176.815 176.300 -0.249 0.000 1.066 226 M CA 1.093 56.182 55.300 -0.352 0.000 1.123 226 M CB 0.079 32.368 32.600 -0.518 0.000 1.388 226 M HN 0.363 nan 8.290 nan 0.000 0.425 227 V N -1.118 118.735 119.914 -0.102 0.000 2.960 227 V HA 0.722 4.846 4.120 0.007 0.000 0.315 227 V C -0.479 175.639 176.094 0.039 0.000 1.087 227 V CA -0.836 61.445 62.300 -0.033 0.000 0.982 227 V CB 1.494 33.297 31.823 -0.033 0.000 1.039 227 V HN 0.288 nan 8.190 nan 0.000 0.437 228 S N 3.837 119.573 115.700 0.059 0.000 2.501 228 S HA 0.710 5.184 4.470 0.007 0.000 0.301 228 S C -0.636 174.031 174.600 0.110 0.000 1.096 228 S CA -0.743 57.515 58.200 0.097 0.000 1.063 228 S CB 1.782 65.037 63.200 0.092 0.000 1.042 228 S HN 1.093 nan 8.310 nan 0.000 0.494 229 L N 4.359 125.669 121.223 0.145 0.000 2.259 229 L HA 0.414 4.758 4.340 0.007 0.000 0.288 229 L C -0.652 176.280 176.870 0.103 0.000 1.051 229 L CA 0.053 54.957 54.840 0.107 0.000 0.824 229 L CB 0.045 42.182 42.059 0.130 0.000 1.206 229 L HN 0.975 nan 8.230 nan 0.000 0.429 230 H N 4.501 123.558 119.070 -0.022 0.000 2.489 230 H HA 0.327 4.887 4.556 0.007 0.000 0.343 230 H C -0.674 174.612 175.328 -0.069 0.000 1.086 230 H CA -0.928 55.096 56.048 -0.039 0.000 1.198 230 H CB 1.822 31.571 29.762 -0.021 0.000 1.490 230 H HN 0.615 nan 8.280 nan 0.000 0.504 231 R N 2.876 123.064 120.500 -0.520 0.000 2.438 231 R HA 0.134 4.478 4.340 0.007 0.000 0.287 231 R C -0.884 175.270 176.300 -0.244 0.000 1.077 231 R CA -0.148 55.740 56.100 -0.353 0.000 1.034 231 R CB 0.498 30.573 30.300 -0.376 0.000 0.993 231 R HN 0.579 nan 8.270 nan 0.000 0.459 232 Q N 3.056 122.797 119.800 -0.098 0.000 2.337 232 Q HA 0.238 4.582 4.340 0.007 0.000 0.270 232 Q C -0.583 175.394 176.000 -0.038 0.000 1.043 232 Q CA -0.602 55.189 55.803 -0.021 0.000 0.794 232 Q CB 1.688 30.440 28.738 0.022 0.000 1.281 232 Q HN 0.868 nan 8.270 nan 0.000 0.446 233 N N 0.406 119.091 118.700 -0.024 0.000 2.716 233 N HA -0.235 4.509 4.740 0.007 0.000 0.250 233 N C -0.539 174.946 175.510 -0.042 0.000 1.033 233 N CA 0.365 53.399 53.050 -0.027 0.000 0.727 233 N CB -0.536 37.940 38.487 -0.019 0.000 0.950 233 N HN 0.675 nan 8.380 nan 0.000 0.541 234 A N 0.307 123.092 122.820 -0.060 0.000 2.496 234 A HA 0.450 4.774 4.320 0.007 0.000 0.278 234 A C 1.560 179.114 177.584 -0.050 0.000 1.137 234 A CA 1.040 53.036 52.037 -0.068 0.000 0.805 234 A CB -0.261 18.683 19.000 -0.094 0.000 1.077 234 A HN 0.814 nan 8.150 nan 0.000 0.513 235 G N 1.466 110.240 108.800 -0.043 0.000 3.288 235 G HA2 -0.114 3.850 3.960 0.007 0.000 0.195 235 G HA3 -0.114 3.850 3.960 0.007 0.000 0.195 235 G C 0.131 175.015 174.900 -0.027 0.000 1.093 235 G CA -0.091 44.989 45.100 -0.033 0.000 0.852 235 G HN 1.183 nan 8.290 nan 0.000 0.453 236 V N 2.855 122.754 119.914 -0.026 0.000 2.521 236 V HA 0.285 4.409 4.120 0.007 0.000 0.286 236 V C 2.027 178.108 176.094 -0.022 0.000 1.034 236 V CA 0.314 62.601 62.300 -0.022 0.000 1.045 236 V CB 1.403 33.214 31.823 -0.020 0.000 0.974 236 V HN 0.240 nan 8.190 nan 0.000 0.480 237 V N 4.440 124.342 119.914 -0.020 0.000 2.343 237 V HA -0.124 4.001 4.120 0.007 0.000 0.247 237 V C 2.150 178.233 176.094 -0.018 0.000 1.051 237 V CA 2.472 64.761 62.300 -0.019 0.000 1.036 237 V CB -0.760 31.052 31.823 -0.017 0.000 0.654 237 V HN 1.051 nan 8.190 nan 0.000 0.451 238 G N -1.999 106.791 108.800 -0.018 0.000 3.233 238 G HA2 0.117 4.081 3.960 0.007 0.000 0.234 238 G HA3 0.117 4.081 3.960 0.007 0.000 0.234 238 G C 1.072 175.962 174.900 -0.016 0.000 1.137 238 G CA 0.014 45.104 45.100 -0.017 0.000 0.763 238 G HN 0.535 nan 8.290 nan 0.000 0.549 239 Q N -0.546 119.244 119.800 -0.018 0.000 2.179 239 Q HA 0.080 4.425 4.340 0.007 0.000 0.244 239 Q C -0.388 175.599 176.000 -0.020 0.000 0.808 239 Q CA -0.450 55.343 55.803 -0.017 0.000 0.955 239 Q CB 1.007 29.735 28.738 -0.016 0.000 1.141 239 Q HN 0.214 nan 8.270 nan 0.000 0.485 240 D N 2.096 122.481 120.400 -0.025 0.000 2.401 240 D HA 0.109 4.753 4.640 0.007 0.000 0.254 240 D C -0.572 175.708 176.300 -0.034 0.000 1.192 240 D CA 0.582 54.562 54.000 -0.034 0.000 0.885 240 D CB 0.704 41.481 40.800 -0.039 0.000 1.147 240 D HN 0.147 nan 8.370 nan 0.000 0.478 241 S N 2.110 117.787 115.700 -0.039 0.000 2.596 241 S HA 0.517 4.991 4.470 0.007 0.000 0.270 241 S C -0.781 173.788 174.600 -0.051 0.000 1.155 241 S CA -1.091 57.087 58.200 -0.038 0.000 0.827 241 S CB 1.887 65.073 63.200 -0.023 0.000 1.130 241 S HN 0.256 nan 8.310 nan 0.000 0.467 242 E N 1.469 121.636 120.200 -0.054 0.000 2.102 242 E HA 0.536 4.890 4.350 0.007 0.000 0.263 242 E C -0.646 175.926 176.600 -0.047 0.000 0.894 242 E CA -0.224 56.134 56.400 -0.071 0.000 0.746 242 E CB 1.232 30.877 29.700 -0.091 0.000 1.129 242 E HN 0.767 nan 8.360 nan 0.000 0.416 243 T N 1.615 116.157 114.554 -0.020 0.000 2.855 243 T HA 0.523 4.877 4.350 0.007 0.000 0.281 243 T C 0.185 174.893 174.700 0.014 0.000 1.007 243 T CA -0.967 61.133 62.100 0.000 0.000 1.009 243 T CB 0.723 69.602 68.868 0.018 0.000 0.983 243 T HN 0.198 nan 8.240 nan 0.000 0.455 244 I N 2.355 122.930 120.570 0.007 0.000 2.416 244 I HA 0.377 4.551 4.170 0.007 0.000 0.288 244 I C 0.419 176.548 176.117 0.020 0.000 1.051 244 I CA -0.204 61.105 61.300 0.016 0.000 1.375 244 I CB 0.743 38.748 38.000 0.008 0.000 1.407 244 I HN 0.833 nan 8.210 nan 0.000 0.516 245 E N 5.375 125.592 120.200 0.030 0.000 2.171 245 E HA 0.395 4.749 4.350 0.007 0.000 0.271 245 E C -1.176 175.432 176.600 0.013 0.000 0.916 245 E CA -0.776 55.632 56.400 0.014 0.000 0.774 245 E CB 1.540 31.240 29.700 0.000 0.000 1.128 245 E HN 0.393 nan 8.360 nan 0.000 0.403 246 L N 3.766 124.993 121.223 0.007 0.000 2.367 246 L HA 0.498 4.843 4.340 0.007 0.000 0.275 246 L C -0.263 176.636 176.870 0.048 0.000 1.129 246 L CA 0.143 54.989 54.840 0.011 0.000 0.839 246 L CB 0.593 42.659 42.059 0.011 0.000 1.133 246 L HN 0.695 nan 8.230 nan 0.000 0.453 247 A N 7.731 130.605 122.820 0.089 0.000 2.540 247 A HA 0.271 4.595 4.320 0.007 0.000 0.239 247 A C -1.367 176.305 177.584 0.146 0.000 1.061 247 A CA -0.552 51.575 52.037 0.149 0.000 0.758 247 A CB -0.570 18.591 19.000 0.268 0.000 0.991 247 A HN 0.804 nan 8.150 nan 0.000 0.502 248 P HA -0.171 nan 4.420 nan 0.000 0.218 248 P C 1.330 178.640 177.300 0.016 0.000 1.146 248 P CA 2.043 65.164 63.100 0.035 0.000 0.813 248 P CB 0.033 31.739 31.700 0.011 0.000 0.778 249 E N -0.306 119.893 120.200 -0.003 0.000 2.072 249 E HA -0.205 4.150 4.350 0.007 0.000 0.191 249 E C 1.893 178.383 176.600 -0.184 0.000 0.985 249 E CA 1.163 57.483 56.400 -0.133 0.000 0.801 249 E CB -1.800 nan 29.700 nan 0.000 0.750 249 E HN 0.380 nan 8.360 nan 0.000 0.452 250 Y N 0.108 120.390 120.300 -0.031 0.000 2.337 250 Y HA 0.268 4.822 4.550 0.007 0.000 0.293 250 Y C 2.921 178.800 175.900 -0.036 0.000 1.123 250 Y CA 0.801 58.876 58.100 -0.040 0.000 1.201 250 Y CB -0.078 38.357 38.460 -0.041 0.000 1.011 250 Y HN 0.337 nan 8.280 nan 0.000 0.545 251 A N 0.154 123.044 122.820 0.116 0.000 2.015 251 A HA -0.143 4.181 4.320 0.007 0.000 0.219 251 A C 1.788 179.386 177.584 0.023 0.000 1.163 251 A CA 1.522 53.594 52.037 0.058 0.000 0.646 251 A CB -0.375 18.651 19.000 0.043 0.000 0.806 251 A HN 0.502 nan 8.150 nan 0.000 0.448 252 E N -0.953 119.249 120.200 0.002 0.000 2.472 252 E HA 0.257 4.611 4.350 0.007 0.000 0.196 252 E C 1.149 177.732 176.600 -0.028 0.000 1.033 252 E CA 0.389 56.779 56.400 -0.016 0.000 0.886 252 E CB 0.204 29.887 29.700 -0.027 0.000 0.944 252 E HN 0.532 nan 8.360 nan 0.000 0.492 253 A N 1.356 124.157 122.820 -0.032 0.000 2.500 253 A HA 0.212 4.536 4.320 0.007 0.000 0.267 253 A C 0.835 178.407 177.584 -0.019 0.000 1.290 253 A CA -0.464 51.546 52.037 -0.045 0.000 0.928 253 A CB -0.546 18.395 19.000 -0.100 0.000 1.066 253 A HN 0.260 nan 8.150 nan 0.000 0.516 254 I N -2.888 117.681 120.570 -0.001 0.000 2.938 254 I HA 0.596 4.770 4.170 0.007 0.000 0.285 254 I C 0.325 176.438 176.117 -0.007 0.000 1.182 254 I CA -0.446 60.855 61.300 0.001 0.000 1.388 254 I CB 0.909 38.916 38.000 0.011 0.000 1.390 254 I HN 0.105 nan 8.210 nan 0.000 0.600 264 I N 0.923 121.612 120.570 0.198 0.000 2.548 264 I HA 0.693 4.867 4.170 0.007 0.000 0.287 264 I C -0.260 176.020 176.117 0.272 0.000 1.103 264 I CA -0.791 60.695 61.300 0.309 0.000 1.049 264 I CB 2.205 40.687 38.000 0.804 0.000 1.232 264 I HN 0.821 nan 8.210 nan 0.000 0.429 265 S N 4.988 120.805 115.700 0.195 0.000 4.260 265 S HA 0.046 4.521 4.470 0.007 0.000 0.073 265 S C -0.247 174.422 174.600 0.115 0.000 0.861 265 S CA -0.672 57.617 58.200 0.148 0.000 0.846 265 S CB -0.799 62.508 63.200 0.179 0.000 0.866 265 S HN 0.445 nan 8.310 nan 0.000 0.753 266 L N 1.342 122.609 121.223 0.073 0.000 4.052 266 L HA 0.152 4.496 4.340 0.007 0.000 0.269 266 L C 1.892 178.726 176.870 -0.059 0.000 1.360 266 L CA 0.644 55.513 54.840 0.049 0.000 1.006 266 L CB -1.751 40.321 42.059 0.022 0.000 1.461 266 L HN 0.641 nan 8.230 nan 0.000 0.407 267 M N -0.629 118.874 119.600 -0.162 0.000 2.248 267 M HA 0.047 4.531 4.480 0.007 0.000 0.265 267 M C 0.254 176.074 176.300 -0.800 0.000 1.079 267 M CA 1.039 56.006 55.300 -0.555 0.000 1.150 267 M CB -0.015 32.133 32.600 -0.753 0.000 1.366 267 M HN 0.077 nan 8.290 nan 0.000 0.433 268 F N 0.671 120.623 119.950 0.004 0.000 2.434 268 F HA 0.447 4.979 4.527 0.007 0.000 0.355 268 F C 0.028 175.936 175.800 0.181 0.000 1.115 268 F CA -0.839 57.191 58.000 0.050 0.000 1.010 268 F CB 0.727 39.791 39.000 0.107 0.000 1.234 268 F HN 0.021 nan 8.300 nan 0.000 0.439 269 Q N 3.101 123.116 119.800 0.359 0.000 2.445 269 Q HA 0.547 4.891 4.340 0.007 0.000 0.281 269 Q C -2.632 173.485 176.000 0.194 0.000 1.101 269 Q CA -2.402 53.586 55.803 0.308 0.000 0.833 269 Q CB 2.235 31.315 28.738 0.569 0.000 1.416 269 Q HN 0.207 nan 8.270 nan 0.000 0.451 270 P HA 0.057 nan 4.420 nan 0.000 0.272 270 P C -0.910 176.399 177.300 0.016 0.000 1.230 270 P CA -0.216 62.760 63.100 -0.207 0.000 0.788 270 P CB 0.506 31.844 31.700 -0.603 0.000 0.949 271 C N 1.211 120.513 119.300 0.004 0.000 2.401 271 C HA 0.164 4.628 4.460 0.007 0.000 0.365 271 C C 2.065 177.170 174.990 0.192 0.000 1.250 271 C CA -0.217 58.881 59.018 0.133 0.000 2.131 271 C CB 0.616 28.428 27.740 0.120 0.000 2.445 271 C HN 0.400 nan 8.230 nan 0.000 0.550 272 V N 2.536 122.543 119.914 0.154 0.000 3.506 272 V HA 0.030 4.155 4.120 0.007 0.000 0.263 272 V C 0.575 176.785 176.094 0.194 0.000 1.203 272 V CA 0.769 63.183 62.300 0.191 0.000 1.133 272 V CB -0.627 31.189 31.823 -0.012 0.000 0.802 272 V HN 0.813 nan 8.190 nan 0.000 0.459 273 V N -3.742 116.067 119.914 -0.174 0.000 2.962 273 V HA 0.654 4.778 4.120 0.007 0.000 0.313 273 V C -3.038 172.563 176.094 -0.820 0.000 1.099 273 V CA -3.205 58.654 62.300 -0.736 0.000 0.971 273 V CB 1.560 33.022 31.823 -0.601 0.000 1.028 273 V HN -0.028 nan 8.190 nan 0.000 0.430 274 P HA 0.190 nan 4.420 nan 0.000 0.260 274 P C -2.605 174.638 177.300 -0.095 0.000 1.172 274 P CA -0.098 62.532 63.100 -0.783 0.000 0.760 274 P CB -0.381 30.986 31.700 -0.554 0.000 0.773 275 P HA 0.054 nan 4.420 nan 0.000 0.269 275 P C -0.143 177.017 177.300 -0.234 0.000 1.215 275 P CA -0.168 62.888 63.100 -0.075 0.000 0.780 275 P CB 0.439 32.058 31.700 -0.136 0.000 0.898 276 K N 3.455 123.354 120.400 -0.835 0.000 2.447 276 K HA 0.105 4.430 4.320 0.007 0.000 0.281 276 K C -2.215 174.037 176.600 -0.580 0.000 1.031 276 K CA -1.392 54.287 56.287 -1.013 0.000 1.019 276 K CB -0.427 31.141 32.500 -1.552 0.000 0.918 276 K HN 0.287 nan 8.250 nan 0.000 0.476 277 P HA -0.058 nan 4.420 nan 0.000 0.268 277 P C -1.121 176.088 177.300 -0.151 0.000 1.204 277 P CA 0.025 63.042 63.100 -0.139 0.000 0.768 277 P CB 0.292 31.969 31.700 -0.039 0.000 0.842 278 W N 2.669 123.978 121.300 0.016 0.000 2.605 278 W HA 0.073 4.737 4.660 0.007 0.000 0.327 278 W C 1.206 177.795 176.519 0.117 0.000 1.332 278 W CA 0.410 57.818 57.345 0.105 0.000 1.403 278 W CB -0.308 29.270 29.460 0.197 0.000 1.452 278 W HN 0.379 nan 8.180 nan 0.000 0.503 279 T N 1.308 115.974 114.554 0.187 0.000 2.953 279 T HA 0.161 4.515 4.350 0.007 0.000 0.247 279 T C 1.052 175.718 174.700 -0.056 0.000 1.029 279 T CA 0.892 62.994 62.100 0.004 0.000 1.144 279 T CB 0.037 68.895 68.868 -0.016 0.000 0.870 279 T HN 0.482 nan 8.240 nan 0.000 0.446 280 G N 0.702 109.620 108.800 0.196 0.000 3.217 280 G HA2 0.542 4.506 3.960 0.007 0.000 0.213 280 G HA3 0.542 4.506 3.960 0.007 0.000 0.213 280 G C 0.827 176.052 174.900 0.541 0.000 1.294 280 G CA -0.432 44.832 45.100 0.274 0.000 0.987 280 G HN 0.337 nan 8.290 nan 0.000 0.584 281 I N -1.502 119.310 120.570 0.404 0.000 2.546 281 I HA 0.196 4.370 4.170 0.007 0.000 0.255 281 I C 0.762 177.123 176.117 0.406 0.000 1.163 281 I CA 1.037 62.541 61.300 0.341 0.000 1.457 281 I CB -0.565 37.590 38.000 0.258 0.000 1.092 281 I HN 0.328 nan 8.210 nan 0.000 0.434 282 T N -2.227 112.581 114.554 0.424 0.000 2.900 282 T HA 0.704 5.058 4.350 0.007 0.000 0.303 282 T C 0.384 175.208 174.700 0.206 0.000 1.142 282 T CA -0.173 62.175 62.100 0.413 0.000 1.007 282 T CB 1.885 70.909 68.868 0.260 0.000 1.156 282 T HN 0.434 nan 8.240 nan 0.000 0.490 283 G N 0.350 109.153 108.800 0.005 0.000 2.253 283 G HA2 0.063 4.027 3.960 0.007 0.000 0.209 283 G HA3 0.063 4.027 3.960 0.007 0.000 0.209 283 G C 0.545 175.087 174.900 -0.597 0.000 0.997 283 G CA 0.058 45.037 45.100 -0.202 0.000 0.640 283 G HN 1.320 nan 8.290 nan 0.000 0.496 284 G N -0.790 107.215 108.800 -1.326 0.000 2.651 284 G HA2 0.600 4.564 3.960 0.007 0.000 0.260 284 G HA3 0.600 4.564 3.960 0.007 0.000 0.260 284 G C 1.412 175.408 174.900 -1.506 0.000 1.216 284 G CA 1.604 45.509 45.100 -1.991 0.000 0.913 284 G HN 1.855 nan 8.290 nan 0.000 0.535 285 G N -0.549 107.580 108.800 -1.118 0.000 3.594 285 G HA2 -0.262 3.703 3.960 0.007 0.000 0.285 285 G HA3 -0.262 3.703 3.960 0.007 0.000 0.285 285 G C 0.460 174.965 174.900 -0.658 0.000 1.551 285 G CA 0.528 45.246 45.100 -0.637 0.000 1.061 285 G HN 0.825 nan 8.290 nan 0.000 0.624 286 Y N 0.188 120.298 120.300 -0.317 0.000 2.296 286 Y HA 0.462 5.016 4.550 0.007 0.000 0.343 286 Y C 1.403 177.093 175.900 -0.351 0.000 1.292 286 Y CA 0.613 58.593 58.100 -0.199 0.000 1.490 286 Y CB 0.394 38.835 38.460 -0.032 0.000 1.359 286 Y HN 0.499 nan 8.280 nan 0.000 0.599 287 W N -0.507 120.890 121.300 0.162 0.000 2.777 287 W HA 0.426 5.091 4.660 0.007 0.000 0.260 287 W C 0.601 177.181 176.519 0.102 0.000 1.194 287 W CA 0.389 57.783 57.345 0.081 0.000 1.447 287 W CB -0.277 29.222 29.460 0.064 0.000 1.009 287 W HN 0.488 nan 8.180 nan 0.000 0.613 288 A N 1.369 124.409 122.820 0.367 0.000 2.540 288 A HA -0.008 4.316 4.320 0.007 0.000 0.239 288 A C 0.624 178.337 177.584 0.215 0.000 1.061 288 A CA 0.431 52.674 52.037 0.342 0.000 0.758 288 A CB -0.117 19.225 19.000 0.570 0.000 0.991 288 A HN 0.473 nan 8.150 nan 0.000 0.502 289 N N 1.687 120.525 118.700 0.230 0.000 2.280 289 N HA 0.041 4.786 4.740 0.007 0.000 0.192 289 N C 1.476 177.124 175.510 0.230 0.000 1.109 289 N CA 0.459 53.630 53.050 0.202 0.000 0.855 289 N CB 0.325 38.923 38.487 0.185 0.000 0.974 289 N HN 0.772 nan 8.380 nan 0.000 0.482 290 G N 1.333 110.268 108.800 0.225 0.000 2.813 290 G HA2 -0.096 3.868 3.960 0.007 0.000 0.209 290 G HA3 -0.096 3.868 3.960 0.007 0.000 0.209 290 G C 0.557 175.404 174.900 -0.090 0.000 1.150 290 G CA -0.048 45.159 45.100 0.179 0.000 0.785 290 G HN 0.286 nan 8.290 nan 0.000 0.535 291 R N -0.902 119.455 120.500 -0.238 0.000 2.828 291 R HA 0.661 5.006 4.340 0.007 0.000 0.264 291 R C -0.101 175.729 176.300 -0.783 0.000 1.022 291 R CA -1.109 54.690 56.100 -0.503 0.000 1.021 291 R CB 1.151 31.112 30.300 -0.565 0.000 1.163 291 R HN -0.018 nan 8.270 nan 0.000 0.494 292 R N 2.230 122.038 120.500 -1.154 0.000 2.401 292 R HA 0.177 4.521 4.340 0.007 0.000 0.299 292 R C -1.908 174.022 176.300 -0.617 0.000 1.064 292 R CA -1.239 53.931 56.100 -1.549 0.000 1.000 292 R CB 0.485 30.177 30.300 -1.013 0.000 0.973 292 R HN 0.537 nan 8.270 nan 0.000 0.438 293 P HA -0.023 nan 4.420 nan 0.000 0.270 293 P C -0.517 176.781 177.300 -0.004 0.000 1.223 293 P CA -0.009 63.040 63.100 -0.084 0.000 0.785 293 P CB 0.642 32.362 31.700 0.034 0.000 0.923 294 L N 0.520 121.802 121.223 0.097 0.000 2.418 294 L HA 0.488 4.832 4.340 0.007 0.000 0.265 294 L C 0.899 177.983 176.870 0.357 0.000 1.143 294 L CA -0.854 54.118 54.840 0.220 0.000 0.809 294 L CB 0.593 42.862 42.059 0.350 0.000 1.124 294 L HN 0.395 nan 8.230 nan 0.000 0.456 295 A N 1.507 124.459 122.820 0.219 0.000 2.301 295 A HA 0.372 4.697 4.320 0.007 0.000 0.312 295 A C 0.466 178.017 177.584 -0.056 0.000 1.182 295 A CA -0.549 51.580 52.037 0.154 0.000 0.826 295 A CB 1.035 20.061 19.000 0.043 0.000 1.134 295 A HN 0.755 nan 8.150 nan 0.000 0.501 296 L N 3.462 124.496 121.223 -0.315 0.000 2.083 296 L HA 0.005 4.350 4.340 0.007 0.000 0.209 296 L C 0.402 176.972 176.870 -0.500 0.000 1.083 296 L CA 2.009 56.326 54.840 -0.872 0.000 0.752 296 L CB -0.039 41.581 42.059 -0.731 0.000 0.899 296 L HN 0.433 nan 8.230 nan 0.000 0.433 297 V N 1.005 120.732 119.914 -0.311 0.000 2.409 297 V HA 0.357 4.481 4.120 0.007 0.000 0.291 297 V C -0.004 176.085 176.094 -0.009 0.000 1.020 297 V CA -0.744 61.433 62.300 -0.204 0.000 0.848 297 V CB 1.414 32.966 31.823 -0.452 0.000 0.990 297 V HN 0.121 nan 8.190 nan 0.000 0.430 298 R N 3.189 123.712 120.500 0.039 0.000 2.272 298 R HA 0.374 4.718 4.340 0.007 0.000 0.334 298 R C 0.472 176.942 176.300 0.283 0.000 1.117 298 R CA -0.134 56.022 56.100 0.092 0.000 0.966 298 R CB 0.419 30.714 30.300 -0.009 0.000 1.049 298 R HN 0.895 nan 8.270 nan 0.000 0.477 299 T N -2.100 112.746 114.554 0.486 0.000 2.937 299 T HA 0.135 4.489 4.350 0.007 0.000 0.283 299 T C 1.332 176.518 174.700 0.810 0.000 1.012 299 T CA -0.849 61.575 62.100 0.540 0.000 0.997 299 T CB 1.254 70.312 68.868 0.316 0.000 1.136 299 T HN 0.686 nan 8.240 nan 0.000 0.551 300 H N -0.580 118.606 119.070 0.193 0.000 2.544 300 H HA 0.247 4.807 4.556 0.007 0.000 0.269 300 H C 0.482 175.548 175.328 -0.437 0.000 0.970 300 H CA 0.392 56.526 56.048 0.142 0.000 1.219 300 H CB -0.237 29.502 29.762 -0.037 0.000 1.421 300 H HN 0.696 nan 8.280 nan 0.000 0.555 301 S N -0.781 113.880 115.700 -1.731 0.000 2.638 301 S HA 0.265 4.740 4.470 0.007 0.000 0.274 301 S C 0.709 173.964 174.600 -2.242 0.000 1.157 301 S CA -0.803 56.231 58.200 -1.942 0.000 0.826 301 S CB 3.136 65.652 63.200 -1.140 0.000 1.139 301 S HN 0.177 nan 8.310 nan 0.000 0.474 302 K N 0.882 120.373 120.400 -1.514 0.000 2.057 302 K HA -0.043 4.281 4.320 0.007 0.000 0.206 302 K C 1.997 178.290 176.600 -0.512 0.000 1.050 302 K CA 1.344 57.093 56.287 -0.898 0.000 0.935 302 K CB -0.336 31.983 32.500 -0.300 0.000 0.715 302 K HN 0.650 nan 8.250 nan 0.000 0.439 303 K N 0.254 120.381 120.400 -0.456 0.000 2.063 303 K HA -0.152 4.172 4.320 0.007 0.000 0.208 303 K C 1.926 178.348 176.600 -0.297 0.000 1.048 303 K CA 1.375 57.479 56.287 -0.304 0.000 0.928 303 K CB -0.205 32.136 32.500 -0.265 0.000 0.713 303 K HN 0.235 nan 8.250 nan 0.000 0.442 304 A N 1.339 123.921 122.820 -0.395 0.000 1.972 304 A HA -0.135 4.189 4.320 0.007 0.000 0.219 304 A C 2.073 179.636 177.584 -0.034 0.000 1.169 304 A CA 1.129 53.015 52.037 -0.251 0.000 0.635 304 A CB -0.456 18.376 19.000 -0.280 0.000 0.810 304 A HN 0.440 nan 8.150 nan 0.000 0.446 305 L N -1.184 120.018 121.223 -0.036 0.000 2.095 305 L HA -0.081 4.263 4.340 0.007 0.000 0.204 305 L C 2.156 179.146 176.870 0.199 0.000 1.080 305 L CA 0.907 55.865 54.840 0.197 0.000 0.759 305 L CB -0.223 41.980 42.059 0.240 0.000 0.914 305 L HN 0.283 nan 8.230 nan 0.000 0.439 306 M N -0.551 119.067 119.600 0.030 0.000 2.539 306 M HA -0.158 4.326 4.480 0.007 0.000 0.261 306 M C 1.920 178.189 176.300 -0.052 0.000 1.069 306 M CA 1.263 56.569 55.300 0.010 0.000 1.081 306 M CB -1.172 31.403 32.600 -0.042 0.000 1.412 306 M HN 0.231 nan 8.290 nan 0.000 0.482 307 R N -1.249 119.154 120.500 -0.161 0.000 2.316 307 R HA -0.092 4.252 4.340 0.007 0.000 0.202 307 R C 0.890 176.913 176.300 -0.462 0.000 1.029 307 R CA 0.764 56.610 56.100 -0.423 0.000 1.018 307 R CB -0.022 29.818 30.300 -0.768 0.000 0.888 307 R HN 0.405 nan 8.270 nan 0.000 0.471 308 Y N -0.585 119.661 120.300 -0.090 0.000 2.442 308 Y HA 0.094 4.648 4.550 0.007 0.000 0.250 308 Y C 2.089 178.043 175.900 0.089 0.000 1.113 308 Y CA -0.244 57.872 58.100 0.027 0.000 1.273 308 Y CB 0.260 38.759 38.460 0.065 0.000 1.138 308 Y HN 0.046 nan 8.280 nan 0.000 0.522 309 E N 0.856 121.170 120.200 0.190 0.000 2.065 309 E HA -0.217 4.137 4.350 0.007 0.000 0.201 309 E C -0.195 176.500 176.600 0.157 0.000 1.016 309 E CA 1.625 58.124 56.400 0.166 0.000 0.818 309 E CB 0.028 29.791 29.700 0.104 0.000 0.749 309 E HN 0.261 nan 8.360 nan 0.000 0.453 310 D N -0.121 120.348 120.400 0.115 0.000 2.517 310 D HA 0.141 4.785 4.640 0.007 0.000 0.301 310 D C -0.017 176.361 176.300 0.130 0.000 1.202 310 D CA -0.082 53.987 54.000 0.116 0.000 0.910 310 D CB 1.666 42.507 40.800 0.068 0.000 1.021 310 D HN -0.022 nan 8.370 nan 0.000 0.499 311 V N 0.288 120.323 119.914 0.203 0.000 3.013 311 V HA 0.060 4.184 4.120 0.007 0.000 0.238 311 V C 0.051 176.335 176.094 0.317 0.000 1.161 311 V CA -0.167 62.267 62.300 0.224 0.000 1.170 311 V CB -0.131 31.837 31.823 0.240 0.000 0.917 311 V HN 0.581 nan 8.190 nan 0.000 0.478 312 Y N 1.971 122.381 120.300 0.184 0.000 2.837 312 Y HA -0.228 4.326 4.550 0.007 0.000 0.059 312 Y C -0.292 175.724 175.900 0.192 0.000 2.038 312 Y CA 0.381 58.580 58.100 0.166 0.000 1.146 312 Y CB -0.693 37.827 38.460 0.101 0.000 1.814 312 Y HN 0.431 nan 8.280 nan 0.000 0.301 313 M N 6.970 126.548 119.600 -0.036 0.000 2.353 313 M HA 0.401 4.885 4.480 0.007 0.000 0.218 313 M C -2.469 173.841 176.300 0.016 0.000 1.044 313 M CA -1.676 53.594 55.300 -0.051 0.000 0.615 313 M CB 1.564 34.200 32.600 0.059 0.000 1.531 313 M HN 0.097 nan 8.290 nan 0.000 0.378 314 P HA -0.173 nan 4.420 nan 0.000 0.216 314 P C 0.833 178.150 177.300 0.028 0.000 1.150 314 P CA 1.589 64.634 63.100 -0.092 0.000 0.837 314 P CB 0.136 31.705 31.700 -0.217 0.000 0.786 315 E N -0.346 119.851 120.200 -0.006 0.000 2.204 315 E HA -0.058 4.296 4.350 0.007 0.000 0.194 315 E C 2.142 178.755 176.600 0.021 0.000 0.989 315 E CA 0.679 57.088 56.400 0.015 0.000 0.824 315 E CB -0.666 29.038 29.700 0.007 0.000 0.756 315 E HN 0.186 nan 8.360 nan 0.000 0.477 316 V N 0.234 120.171 119.914 0.039 0.000 2.346 316 V HA -0.209 3.916 4.120 0.007 0.000 0.244 316 V C 1.981 178.036 176.094 -0.065 0.000 1.037 316 V CA 1.338 63.640 62.300 0.003 0.000 1.029 316 V CB -0.717 31.163 31.823 0.094 0.000 0.663 316 V HN 0.155 nan 8.190 nan 0.000 0.454 317 Y N 0.814 121.119 120.300 0.007 0.000 2.181 317 Y HA -0.233 4.321 4.550 0.008 0.000 0.288 317 Y C 2.580 178.488 175.900 0.014 0.000 1.146 317 Y CA 2.138 60.250 58.100 0.021 0.000 1.164 317 Y CB -0.318 38.170 38.460 0.048 0.000 0.982 317 Y HN 0.154 nan 8.280 nan 0.000 0.515 318 K N 0.162 120.651 120.400 0.149 0.000 2.057 318 K HA -0.169 4.155 4.320 0.007 0.000 0.207 318 K C 2.289 178.885 176.600 -0.007 0.000 1.049 318 K CA 1.165 57.491 56.287 0.065 0.000 0.931 318 K CB -0.300 32.226 32.500 0.044 0.000 0.714 318 K HN 0.240 nan 8.250 nan 0.000 0.440 319 A N 1.338 124.133 122.820 -0.041 0.000 1.902 319 A HA -0.129 4.195 4.320 0.007 0.000 0.217 319 A C 2.009 179.506 177.584 -0.145 0.000 1.181 319 A CA 1.302 53.270 52.037 -0.115 0.000 0.623 319 A CB -0.486 18.437 19.000 -0.128 0.000 0.818 319 A HN 0.284 nan 8.150 nan 0.000 0.443 320 I N 0.722 121.226 120.570 -0.110 0.000 2.226 320 I HA -0.237 3.938 4.170 0.007 0.000 0.245 320 I C 1.953 178.080 176.117 0.016 0.000 1.100 320 I CA 1.567 62.810 61.300 -0.094 0.000 1.374 320 I CB -1.952 35.962 38.000 -0.143 0.000 1.057 320 I HN 0.452 nan 8.210 nan 0.000 0.413 321 N N 0.762 119.507 118.700 0.076 0.000 2.244 321 N HA -0.102 4.642 4.740 0.007 0.000 0.183 321 N C 1.979 177.500 175.510 0.018 0.000 1.016 321 N CA 0.832 53.946 53.050 0.106 0.000 0.866 321 N CB 0.023 38.582 38.487 0.120 0.000 0.980 321 N HN 0.300 nan 8.380 nan 0.000 0.430 322 I N 1.015 121.539 120.570 -0.077 0.000 2.286 322 I HA -0.167 4.007 4.170 0.007 0.000 0.245 322 I C 2.470 178.505 176.117 -0.137 0.000 1.104 322 I CA 0.638 61.839 61.300 -0.167 0.000 1.397 322 I CB -0.280 37.534 38.000 -0.311 0.000 1.072 322 I HN 0.121 nan 8.210 nan 0.000 0.417 323 A N -0.078 122.609 122.820 -0.222 0.000 1.969 323 A HA -0.247 4.077 4.320 0.007 0.000 0.218 323 A C 2.311 179.767 177.584 -0.214 0.000 1.169 323 A CA 1.506 53.348 52.037 -0.325 0.000 0.635 323 A CB -0.572 18.105 19.000 -0.540 0.000 0.810 323 A HN 0.489 nan 8.150 nan 0.000 0.445 324 Q N -0.617 119.203 119.800 0.033 0.000 2.172 324 Q HA -0.149 4.195 4.340 0.007 0.000 0.200 324 Q C 1.553 177.780 176.000 0.379 0.000 0.964 324 Q CA 1.336 57.379 55.803 0.400 0.000 0.855 324 Q CB -0.104 28.833 28.738 0.332 0.000 0.918 324 Q HN 0.620 nan 8.270 nan 0.000 0.444 325 N N -0.035 118.807 118.700 0.236 0.000 2.521 325 N HA -0.027 4.717 4.740 0.007 0.000 0.188 325 N C -0.717 175.014 175.510 0.368 0.000 1.146 325 N CA 0.279 53.474 53.050 0.241 0.000 0.893 325 N CB 0.159 38.716 38.487 0.116 0.000 0.975 325 N HN 0.015 nan 8.380 nan 0.000 0.451 326 T N 0.929 115.719 114.554 0.394 0.000 2.784 326 T HA 0.269 4.623 4.350 0.007 0.000 0.291 326 T C 0.050 174.938 174.700 0.313 0.000 0.942 326 T CA -0.224 62.067 62.100 0.317 0.000 1.161 326 T CB 0.589 69.652 68.868 0.325 0.000 0.885 326 T HN 0.248 nan 8.240 nan 0.000 0.534 327 A N 4.464 127.313 122.820 0.049 0.000 2.302 327 A HA 0.533 4.857 4.320 0.007 0.000 0.295 327 A C -0.551 176.762 177.584 -0.453 0.000 1.235 327 A CA -0.698 51.125 52.037 -0.357 0.000 0.876 327 A CB 0.085 18.962 19.000 -0.206 0.000 1.133 327 A HN 0.865 nan 8.150 nan 0.000 0.533 328 W N 1.561 122.600 121.300 -0.435 0.000 2.578 328 W HA 0.667 5.331 4.660 0.007 0.000 0.364 328 W C 0.367 176.731 176.519 -0.258 0.000 1.144 328 W CA -0.286 56.963 57.345 -0.160 0.000 1.242 328 W CB 1.530 31.118 29.460 0.213 0.000 1.382 328 W HN 0.716 nan 8.180 nan 0.000 0.625 329 K N 0.230 120.758 120.400 0.213 0.000 2.575 329 K HA 0.508 4.833 4.320 0.007 0.000 0.279 329 K C -1.312 175.417 176.600 0.215 0.000 0.969 329 K CA -0.910 55.444 56.287 0.112 0.000 0.868 329 K CB 1.265 33.770 32.500 0.009 0.000 1.457 329 K HN 0.196 nan 8.250 nan 0.000 0.426 330 I N 2.394 123.077 120.570 0.189 0.000 2.471 330 I HA 0.039 4.214 4.170 0.007 0.000 0.286 330 I C 0.127 176.329 176.117 0.141 0.000 1.079 330 I CA -0.255 61.171 61.300 0.210 0.000 1.398 330 I CB 0.349 38.458 38.000 0.182 0.000 1.403 330 I HN 0.708 nan 8.210 nan 0.000 0.530 331 N N 6.822 125.612 118.700 0.150 0.000 2.406 331 N HA 0.015 4.760 4.740 0.007 0.000 0.269 331 N C 1.033 176.577 175.510 0.057 0.000 1.210 331 N CA 0.198 53.310 53.050 0.103 0.000 0.966 331 N CB 0.482 39.047 38.487 0.131 0.000 1.293 331 N HN 0.438 nan 8.380 nan 0.000 0.491 332 K N 2.565 122.975 120.400 0.015 0.000 2.044 332 K HA -0.173 4.151 4.320 0.007 0.000 0.210 332 K C 1.422 177.967 176.600 -0.090 0.000 1.049 332 K CA 1.417 57.687 56.287 -0.028 0.000 0.927 332 K CB 0.184 32.660 32.500 -0.040 0.000 0.713 332 K HN 0.473 nan 8.250 nan 0.000 0.443 333 K N 0.512 120.805 120.400 -0.177 0.000 2.057 333 K HA -0.106 4.218 4.320 0.007 0.000 0.207 333 K C 2.074 178.529 176.600 -0.243 0.000 1.049 333 K CA 1.248 57.268 56.287 -0.445 0.000 0.931 333 K CB -0.055 31.932 32.500 -0.856 0.000 0.714 333 K HN -0.039 nan 8.250 nan 0.000 0.440 334 V N 1.792 121.708 119.914 0.004 0.000 2.453 334 V HA -0.183 3.941 4.120 0.007 0.000 0.247 334 V C 2.154 178.316 176.094 0.114 0.000 1.048 334 V CA 1.210 63.604 62.300 0.156 0.000 1.049 334 V CB -0.316 31.625 31.823 0.197 0.000 0.672 334 V HN 0.333 nan 8.190 nan 0.000 0.457 335 L N 0.212 121.465 121.223 0.050 0.000 2.083 335 L HA -0.145 4.200 4.340 0.007 0.000 0.209 335 L C 2.573 179.455 176.870 0.020 0.000 1.083 335 L CA 1.682 56.539 54.840 0.028 0.000 0.752 335 L CB -0.469 41.600 42.059 0.017 0.000 0.899 335 L HN 0.384 nan 8.230 nan 0.000 0.433 336 A N -0.969 121.852 122.820 0.000 0.000 2.019 336 A HA -0.131 4.193 4.320 0.007 0.000 0.219 336 A C 2.091 179.709 177.584 0.056 0.000 1.164 336 A CA 1.675 53.714 52.037 0.004 0.000 0.644 336 A CB -0.480 18.492 19.000 -0.045 0.000 0.805 336 A HN 0.335 nan 8.150 nan 0.000 0.449 337 V N -0.692 119.286 119.914 0.106 0.000 2.379 337 V HA -0.064 4.060 4.120 0.007 0.000 0.243 337 V C 2.960 179.174 176.094 0.199 0.000 1.035 337 V CA 1.422 63.828 62.300 0.177 0.000 1.035 337 V CB -1.154 30.796 31.823 0.212 0.000 0.673 337 V HN 0.539 nan 8.190 nan 0.000 0.457 338 A N 0.711 123.672 122.820 0.234 0.000 1.978 338 A HA -0.223 4.101 4.320 0.007 0.000 0.220 338 A C 1.978 179.577 177.584 0.025 0.000 1.170 338 A CA 2.030 54.161 52.037 0.156 0.000 0.636 338 A CB -0.653 18.281 19.000 -0.110 0.000 0.810 338 A HN 0.574 nan 8.150 nan 0.000 0.448 339 N N -0.367 118.338 118.700 0.008 0.000 2.396 339 N HA -0.052 4.692 4.740 0.007 0.000 0.180 339 N C 1.454 176.944 175.510 -0.033 0.000 1.028 339 N CA 1.428 54.468 53.050 -0.015 0.000 0.893 339 N CB -0.055 38.428 38.487 -0.006 0.000 0.967 339 N HN 0.344 nan 8.380 nan 0.000 0.440 340 V N 1.193 121.069 119.914 -0.062 0.000 2.581 340 V HA 0.023 4.147 4.120 0.007 0.000 0.240 340 V C 2.159 177.894 176.094 -0.598 0.000 1.054 340 V CA 0.533 62.755 62.300 -0.130 0.000 1.076 340 V CB -0.326 31.511 31.823 0.024 0.000 0.748 340 V HN 0.217 nan 8.190 nan 0.000 0.474 341 I N 0.728 120.858 120.570 -0.734 0.000 2.315 341 I HA -0.144 4.031 4.170 0.007 0.000 0.248 341 I C 2.442 178.182 176.117 -0.629 0.000 1.117 341 I CA 2.068 62.585 61.300 -1.305 0.000 1.404 341 I CB -1.110 36.463 38.000 -0.712 0.000 1.071 341 I HN 0.417 nan 8.210 nan 0.000 0.419 342 T N -1.617 112.801 114.554 -0.227 0.000 2.962 342 T HA 0.005 4.359 4.350 0.007 0.000 0.270 342 T C 1.744 176.429 174.700 -0.024 0.000 1.088 342 T CA 0.632 62.702 62.100 -0.050 0.000 1.127 342 T CB -0.326 68.544 68.868 0.004 0.000 0.883 342 T HN 0.295 nan 8.240 nan 0.000 0.493 343 K N -0.214 120.144 120.400 -0.071 0.000 2.366 343 K HA 0.061 4.385 4.320 0.007 0.000 0.198 343 K C 0.318 177.053 176.600 0.225 0.000 1.044 343 K CA 0.081 56.405 56.287 0.063 0.000 0.973 343 K CB -0.033 32.512 32.500 0.075 0.000 0.767 343 K HN 0.498 nan 8.250 nan 0.000 0.475 344 W N 2.268 123.619 121.300 0.086 0.000 2.158 344 W HA 0.075 4.739 4.660 0.006 0.000 0.339 344 W C 1.356 177.921 176.519 0.077 0.000 1.294 344 W CA -0.951 56.443 57.345 0.080 0.000 1.231 344 W CB 0.214 29.724 29.460 0.084 0.000 1.143 344 W HN -0.151 nan 8.180 nan 0.000 0.571 345 K N 0.732 121.315 120.400 0.305 0.000 2.155 345 K HA -0.159 4.165 4.320 0.007 0.000 0.203 345 K C 0.310 177.056 176.600 0.243 0.000 1.052 345 K CA 1.238 57.651 56.287 0.211 0.000 0.948 345 K CB -0.171 32.419 32.500 0.150 0.000 0.728 345 K HN 0.421 nan 8.250 nan 0.000 0.448 346 H N -0.079 119.085 119.070 0.157 0.000 2.541 346 H HA 0.196 4.756 4.556 0.006 0.000 0.246 346 H C -1.064 174.383 175.328 0.199 0.000 1.341 346 H CA -0.806 55.317 56.048 0.125 0.000 1.469 346 H CB 0.033 29.831 29.762 0.059 0.000 1.472 346 H HN 0.052 nan 8.280 nan 0.000 0.503 347 C N 4.926 124.270 119.300 0.074 0.000 2.676 347 C HA 0.142 4.606 4.460 0.007 0.000 0.416 347 C C -0.576 174.389 174.990 -0.042 0.000 1.299 347 C CA -1.209 57.890 59.018 0.134 0.000 2.048 347 C CB 0.653 28.437 27.740 0.074 0.000 2.713 347 C HN 0.756 nan 8.230 nan 0.000 0.624 348 P HA -0.030 nan 4.420 nan 0.000 0.225 348 P C 0.235 177.435 177.300 -0.167 0.000 1.156 348 P CA 0.927 63.972 63.100 -0.093 0.000 0.787 348 P CB -0.451 31.170 31.700 -0.131 0.000 0.802 349 V N -0.612 119.211 119.914 -0.151 0.000 2.446 349 V HA 0.092 4.216 4.120 0.007 0.000 0.276 349 V C 1.552 177.595 176.094 -0.085 0.000 1.030 349 V CA -0.321 61.904 62.300 -0.125 0.000 1.033 349 V CB -0.228 31.567 31.823 -0.047 0.000 0.993 349 V HN -0.024 nan 8.190 nan 0.000 0.477 350 E N 2.818 122.967 120.200 -0.085 0.000 2.007 350 E HA -0.242 4.112 4.350 0.007 0.000 0.203 350 E C 1.563 178.146 176.600 -0.028 0.000 1.020 350 E CA 1.985 58.349 56.400 -0.060 0.000 0.845 350 E CB -0.161 29.509 29.700 -0.051 0.000 0.779 350 E HN 0.915 nan 8.360 nan 0.000 0.466 351 D N 0.529 120.924 120.400 -0.008 0.000 2.311 351 D HA -0.184 4.461 4.640 0.007 0.000 0.204 351 D C 0.532 176.846 176.300 0.024 0.000 1.000 351 D CA 0.804 54.814 54.000 0.016 0.000 0.910 351 D CB -0.333 40.487 40.800 0.033 0.000 0.900 351 D HN 0.110 nan 8.370 nan 0.000 0.463 352 I N 3.434 124.014 120.570 0.016 0.000 2.574 352 I HA 0.057 4.231 4.170 0.007 0.000 0.291 352 I C -1.698 174.423 176.117 0.008 0.000 1.131 352 I CA -2.276 59.038 61.300 0.024 0.000 1.352 352 I CB -0.663 37.348 38.000 0.019 0.000 1.431 352 I HN -0.095 nan 8.210 nan 0.000 0.543 353 P HA 0.366 nan 4.420 nan 0.000 0.284 353 P C -0.408 176.914 177.300 0.038 0.000 1.292 353 P CA -0.621 62.495 63.100 0.027 0.000 0.800 353 P CB 0.959 32.679 31.700 0.032 0.000 1.188 354 A N 0.509 123.355 122.820 0.043 0.000 2.455 354 A HA 0.384 4.708 4.320 0.007 0.000 0.244 354 A C 1.041 178.657 177.584 0.053 0.000 1.099 354 A CA 0.751 52.821 52.037 0.054 0.000 0.786 354 A CB -1.289 17.742 19.000 0.051 0.000 1.051 354 A HN 0.898 nan 8.150 nan 0.000 0.508 355 I N -4.473 116.131 120.570 0.058 0.000 8.793 355 I HA -0.263 3.912 4.170 0.007 0.000 0.304 355 I C -0.313 175.837 176.117 0.056 0.000 2.091 355 I CA 0.727 62.067 61.300 0.066 0.000 1.944 355 I CB -1.031 37.020 38.000 0.086 0.000 3.855 355 I HN 0.796 nan 8.210 nan 0.000 0.298 356 E N 1.567 121.805 120.200 0.063 0.000 1.414 356 E HA -0.202 4.153 4.350 0.007 0.000 0.351 356 E C 0.950 177.571 176.600 0.034 0.000 0.578 356 E CA 1.361 57.791 56.400 0.050 0.000 1.318 356 E CB -0.205 29.531 29.700 0.061 0.000 0.433 356 E HN 0.514 nan 8.360 nan 0.000 0.382 357 R N 2.625 123.139 120.500 0.024 0.000 2.075 357 R HA -0.087 4.257 4.340 0.007 0.000 0.232 357 R C 0.323 176.621 176.300 -0.004 0.000 1.126 357 R CA 0.829 56.934 56.100 0.009 0.000 0.963 357 R CB 0.015 30.317 30.300 0.003 0.000 0.858 357 R HN 0.584 nan 8.270 nan 0.000 0.435 358 E N 1.614 121.815 120.200 0.002 0.000 7.068 358 E HA -0.151 4.203 4.350 0.007 0.000 0.216 358 E C -1.229 175.358 176.600 -0.021 0.000 1.080 358 E CA 0.398 56.796 56.400 -0.003 0.000 1.549 358 E CB -0.398 29.303 29.700 0.002 0.000 0.929 358 E HN 0.376 nan 8.360 nan 0.000 0.281 359 E N 2.780 122.974 120.200 -0.011 0.000 2.421 359 E HA 0.278 4.632 4.350 0.007 0.000 0.253 359 E C 0.412 177.007 176.600 -0.009 0.000 1.277 359 E CA -0.421 55.970 56.400 -0.014 0.000 0.968 359 E CB 0.428 30.130 29.700 0.004 0.000 1.040 359 E HN 0.369 nan 8.360 nan 0.000 0.512 360 L N 2.709 123.938 121.223 0.008 0.000 2.268 360 L HA 0.316 4.661 4.340 0.007 0.000 0.289 360 L C -2.045 174.907 176.870 0.136 0.000 1.064 360 L CA -1.864 53.016 54.840 0.068 0.000 0.824 360 L CB 0.200 42.317 42.059 0.097 0.000 1.202 360 L HN 0.233 nan 8.230 nan 0.000 0.433 361 P HA 0.381 nan 4.420 nan 0.000 0.296 361 P C -0.127 177.339 177.300 0.276 0.000 1.306 361 P CA -0.633 62.556 63.100 0.147 0.000 0.818 361 P CB 1.570 33.331 31.700 0.102 0.000 0.969 362 M N -0.474 119.186 119.600 0.100 0.000 1.893 362 M HA 0.301 4.785 4.480 0.007 0.000 0.389 362 M C -0.187 175.987 176.300 -0.210 0.000 0.807 362 M CA -0.362 54.919 55.300 -0.032 0.000 1.178 362 M CB 0.531 33.123 32.600 -0.014 0.000 2.351 362 M HN 0.025 nan 8.290 nan 0.000 0.819 363 K N 3.387 123.490 120.400 -0.496 0.000 6.281 363 K HA -0.048 4.277 4.320 0.007 0.000 0.629 363 K C -2.479 173.932 176.600 -0.315 0.000 1.517 363 K CA 0.558 56.466 56.287 -0.632 0.000 1.607 363 K CB -0.685 31.456 32.500 -0.599 0.000 1.837 363 K HN 0.413 nan 8.250 nan 0.000 0.354 364 P HA 0.027 nan 4.420 nan 0.000 0.228 364 P C -0.001 177.229 177.300 -0.117 0.000 1.748 364 P CA 0.364 63.384 63.100 -0.133 0.000 0.909 364 P CB -0.708 30.941 31.700 -0.085 0.000 1.882 365 E N -1.040 119.080 120.200 -0.134 0.000 2.551 365 E HA -0.240 4.114 4.350 0.007 0.000 0.251 365 E C -1.043 175.505 176.600 -0.087 0.000 1.210 365 E CA 0.764 57.102 56.400 -0.103 0.000 0.725 365 E CB -2.220 27.438 29.700 -0.070 0.000 1.290 365 E HN 0.265 nan 8.360 nan 0.000 0.413 366 D N 0.960 121.297 120.400 -0.104 0.000 2.473 366 D HA 0.387 5.031 4.640 0.007 0.000 0.226 366 D C 0.167 176.428 176.300 -0.065 0.000 1.089 366 D CA -0.319 53.639 54.000 -0.070 0.000 0.883 366 D CB 0.521 41.290 40.800 -0.052 0.000 1.029 366 D HN 0.444 nan 8.370 nan 0.000 0.517 367 I N -1.123 119.419 120.570 -0.047 0.000 2.649 367 I HA 0.356 4.530 4.170 0.007 0.000 0.275 367 I C -1.231 174.877 176.117 -0.014 0.000 1.153 367 I CA -0.979 60.303 61.300 -0.029 0.000 1.069 367 I CB 0.829 38.807 38.000 -0.037 0.000 1.227 367 I HN -0.127 nan 8.210 nan 0.000 0.505 368 D N 5.116 125.513 120.400 -0.006 0.000 10.405 368 D HA -0.080 4.564 4.640 0.007 0.000 0.309 368 D C -0.470 175.838 176.300 0.014 0.000 2.986 368 D CA 1.049 55.050 54.000 0.001 0.000 2.704 368 D CB -0.065 40.732 40.800 -0.006 0.000 1.147 368 D HN 1.066 nan 8.370 nan 0.000 0.881 369 M N 1.459 121.071 119.600 0.021 0.000 3.997 369 M HA -0.129 4.356 4.480 0.007 0.000 0.158 369 M C -0.828 175.483 176.300 0.018 0.000 1.522 369 M CA 0.836 56.146 55.300 0.016 0.000 1.081 369 M CB -1.184 31.422 32.600 0.009 0.000 1.342 369 M HN 0.662 nan 8.290 nan 0.000 0.252 370 N N 2.866 121.581 118.700 0.025 0.000 2.836 370 N HA 0.499 5.243 4.740 0.007 0.000 0.311 370 N C -2.066 173.465 175.510 0.035 0.000 0.752 370 N CA 0.939 54.006 53.050 0.028 0.000 1.351 370 N CB 0.197 38.696 38.487 0.020 0.000 1.334 370 N HN 0.452 nan 8.380 nan 0.000 1.396 371 P HA 0.296 nan 4.420 nan 0.000 0.255 371 P C 0.204 177.529 177.300 0.041 0.000 1.248 371 P CA 0.683 63.803 63.100 0.033 0.000 0.807 371 P CB 0.512 32.226 31.700 0.023 0.000 1.150 372 E N -0.096 120.129 120.200 0.043 0.000 2.201 372 E HA 0.120 4.475 4.350 0.007 0.000 0.193 372 E C 1.884 178.526 176.600 0.070 0.000 0.957 372 E CA 0.803 57.232 56.400 0.047 0.000 0.858 372 E CB -0.642 29.077 29.700 0.032 0.000 0.816 372 E HN 0.171 nan 8.360 nan 0.000 0.475 373 A N 1.385 124.246 122.820 0.069 0.000 1.872 373 A HA 0.051 4.375 4.320 0.007 0.000 0.214 373 A C 1.454 179.150 177.584 0.186 0.000 1.187 373 A CA 0.506 52.596 52.037 0.088 0.000 0.614 373 A CB -0.125 18.906 19.000 0.052 0.000 0.826 373 A HN 0.186 nan 8.150 nan 0.000 0.442 374 L N 0.345 121.666 121.223 0.164 0.000 2.356 374 L HA 0.427 4.771 4.340 0.007 0.000 0.264 374 L C -0.013 176.923 176.870 0.110 0.000 1.029 374 L CA -0.109 54.848 54.840 0.195 0.000 0.897 374 L CB 1.371 43.525 42.059 0.158 0.000 1.256 374 L HN 0.355 nan 8.230 nan 0.000 0.444 375 T N 1.205 115.823 114.554 0.107 0.000 3.631 375 T HA 0.247 4.601 4.350 0.007 0.000 0.264 375 T C 0.255 174.959 174.700 0.007 0.000 0.974 375 T CA 0.317 62.444 62.100 0.046 0.000 1.143 375 T CB 0.199 69.096 68.868 0.049 0.000 1.149 375 T HN 0.640 nan 8.240 nan 0.000 0.410 376 A N 1.420 124.258 122.820 0.031 0.000 1.815 376 A HA -0.143 4.181 4.320 0.007 0.000 0.239 376 A C 0.448 178.191 177.584 0.264 0.000 1.327 376 A CA 1.113 53.228 52.037 0.130 0.000 0.710 376 A CB -2.126 16.931 19.000 0.095 0.000 1.192 376 A HN 0.975 nan 8.150 nan 0.000 0.255 377 W N 2.223 123.532 121.300 0.016 0.000 3.256 377 W HA 0.398 5.065 4.660 0.011 0.000 0.269 377 W C 1.278 177.814 176.519 0.030 0.000 1.310 377 W CA 0.843 58.202 57.345 0.023 0.000 1.673 377 W CB -0.125 29.350 29.460 0.025 0.000 1.115 377 W HN 0.986 nan 8.180 nan 0.000 0.686 378 K N 1.993 122.169 120.400 -0.373 0.000 2.074 378 K HA -0.227 4.097 4.320 0.007 0.000 0.209 378 K C 1.910 178.271 176.600 -0.398 0.000 1.048 378 K CA 2.009 57.929 56.287 -0.611 0.000 0.926 378 K CB -1.058 31.267 32.500 -0.292 0.000 0.713 378 K HN 0.581 nan 8.250 nan 0.000 0.444 379 R N -0.501 119.878 120.500 -0.202 0.000 2.090 379 R HA 0.070 4.415 4.340 0.007 0.000 0.228 379 R C 2.608 178.844 176.300 -0.107 0.000 1.110 379 R CA 1.261 57.287 56.100 -0.124 0.000 0.973 379 R CB -0.368 29.896 30.300 -0.059 0.000 0.869 379 R HN 0.443 nan 8.270 nan 0.000 0.440 380 A N 0.590 123.353 122.820 -0.097 0.000 1.930 380 A HA -0.045 4.279 4.320 0.007 0.000 0.217 380 A C 2.265 179.810 177.584 -0.065 0.000 1.175 380 A CA 1.522 53.539 52.037 -0.032 0.000 0.627 380 A CB -0.579 18.462 19.000 0.067 0.000 0.815 380 A HN 0.503 nan 8.150 nan 0.000 0.443 381 A N -0.362 122.310 122.820 -0.246 0.000 1.968 381 A HA 0.307 4.631 4.320 0.007 0.000 0.217 381 A C 2.398 179.986 177.584 0.007 0.000 1.169 381 A CA 1.575 53.505 52.037 -0.178 0.000 0.638 381 A CB -0.759 17.915 19.000 -0.544 0.000 0.812 381 A HN 0.952 nan 8.150 nan 0.000 0.446 382 A N -0.130 122.635 122.820 -0.091 0.000 1.969 382 A HA 0.238 4.563 4.320 0.007 0.000 0.218 382 A C 2.369 179.974 177.584 0.035 0.000 1.169 382 A CA 1.693 53.710 52.037 -0.032 0.000 0.635 382 A CB -0.718 18.217 19.000 -0.109 0.000 0.810 382 A HN 0.942 nan 8.150 nan 0.000 0.445 383 A N -0.623 122.204 122.820 0.011 0.000 2.014 383 A HA 0.117 4.441 4.320 0.007 0.000 0.218 383 A C 2.112 179.720 177.584 0.039 0.000 1.163 383 A CA 1.514 53.564 52.037 0.021 0.000 0.652 383 A CB -0.548 18.457 19.000 0.009 0.000 0.808 383 A HN 0.334 nan 8.150 nan 0.000 0.449 384 V N -1.737 118.205 119.914 0.047 0.000 2.407 384 V HA -0.218 3.906 4.120 0.007 0.000 0.245 384 V C 2.251 178.342 176.094 -0.006 0.000 1.041 384 V CA 1.550 63.857 62.300 0.010 0.000 1.040 384 V CB -1.084 30.729 31.823 -0.018 0.000 0.671 384 V HN 0.632 nan 8.190 nan 0.000 0.455 385 Y N 1.495 121.783 120.300 -0.020 0.000 2.165 385 Y HA -0.265 4.288 4.550 0.004 0.000 0.286 385 Y C 2.784 178.678 175.900 -0.010 0.000 1.155 385 Y CA 2.317 60.408 58.100 -0.015 0.000 1.164 385 Y CB -0.297 38.144 38.460 -0.030 0.000 0.978 385 Y HN 0.294 nan 8.280 nan 0.000 0.513 386 R N 0.058 120.641 120.500 0.138 0.000 2.119 386 R HA -0.053 4.292 4.340 0.007 0.000 0.222 386 R C 1.885 178.212 176.300 0.045 0.000 1.088 386 R CA 1.285 57.429 56.100 0.074 0.000 0.984 386 R CB -0.401 29.927 30.300 0.047 0.000 0.884 386 R HN 0.171 nan 8.270 nan 0.000 0.447 387 K N 0.795 121.216 120.400 0.035 0.000 2.026 387 K HA -0.166 4.158 4.320 0.007 0.000 0.208 387 K C 1.682 178.291 176.600 0.014 0.000 1.048 387 K CA 1.874 58.174 56.287 0.021 0.000 0.929 387 K CB -0.193 32.316 32.500 0.015 0.000 0.713 387 K HN 0.134 nan 8.250 nan 0.000 0.439 388 D N 0.677 121.077 120.400 -0.001 0.000 2.149 388 D HA -0.135 4.509 4.640 0.007 0.000 0.201 388 D C 1.793 178.100 176.300 0.011 0.000 0.972 388 D CA 1.160 55.154 54.000 -0.011 0.000 0.835 388 D CB 0.179 40.942 40.800 -0.060 0.000 0.966 388 D HN 0.036 nan 8.370 nan 0.000 0.476 389 K N -0.175 120.242 120.400 0.029 0.000 2.025 389 K HA -0.053 4.271 4.320 0.007 0.000 0.207 389 K C 1.973 178.592 176.600 0.031 0.000 1.049 389 K CA 1.195 57.506 56.287 0.039 0.000 0.933 389 K CB -0.181 32.354 32.500 0.057 0.000 0.714 389 K HN 0.087 nan 8.250 nan 0.000 0.438 390 A N 1.588 124.426 122.820 0.029 0.000 2.067 390 A HA -0.152 4.172 4.320 0.007 0.000 0.219 390 A C 2.072 179.671 177.584 0.026 0.000 1.158 390 A CA 1.261 53.313 52.037 0.026 0.000 0.661 390 A CB -0.479 18.535 19.000 0.024 0.000 0.801 390 A HN 0.398 nan 8.150 nan 0.000 0.452 391 R N -0.109 120.406 120.500 0.025 0.000 2.066 391 R HA -0.036 4.308 4.340 0.007 0.000 0.224 391 R C 1.913 178.230 176.300 0.029 0.000 1.122 391 R CA 1.400 57.516 56.100 0.027 0.000 0.974 391 R CB -0.297 30.017 30.300 0.023 0.000 0.871 391 R HN 0.440 nan 8.270 nan 0.000 0.435 392 K N 0.672 121.089 120.400 0.027 0.000 2.009 392 K HA -0.129 4.196 4.320 0.007 0.000 0.210 392 K C 2.223 178.842 176.600 0.032 0.000 1.049 392 K CA 2.155 58.459 56.287 0.029 0.000 0.929 392 K CB -0.156 32.361 32.500 0.028 0.000 0.714 392 K HN 0.310 nan 8.250 nan 0.000 0.440 393 S N 1.021 116.739 115.700 0.029 0.000 2.382 393 S HA -0.147 4.327 4.470 0.007 0.000 0.228 393 S C 1.963 176.583 174.600 0.033 0.000 1.027 393 S CA 0.946 59.162 58.200 0.027 0.000 0.991 393 S CB -0.253 62.961 63.200 0.022 0.000 0.823 393 S HN 0.244 nan 8.310 nan 0.000 0.469 394 R N 0.444 120.966 120.500 0.035 0.000 2.153 394 R HA 0.205 4.549 4.340 0.007 0.000 0.218 394 R C 2.578 178.908 176.300 0.051 0.000 1.072 394 R CA 0.983 57.108 56.100 0.041 0.000 0.990 394 R CB -0.166 30.157 30.300 0.037 0.000 0.889 394 R HN 0.310 nan 8.270 nan 0.000 0.452 395 R N 0.939 121.468 120.500 0.049 0.000 2.075 395 R HA 0.034 4.379 4.340 0.007 0.000 0.226 395 R C 1.894 178.234 176.300 0.066 0.000 1.114 395 R CA 1.102 57.236 56.100 0.056 0.000 0.972 395 R CB -0.285 30.044 30.300 0.049 0.000 0.869 395 R HN 0.026 nan 8.270 nan 0.000 0.437 396 I N 0.568 121.174 120.570 0.061 0.000 2.264 396 I HA -0.243 3.932 4.170 0.007 0.000 0.248 396 I C 2.232 178.410 176.117 0.101 0.000 1.111 396 I CA 1.635 62.976 61.300 0.069 0.000 1.382 396 I CB -1.360 36.665 38.000 0.042 0.000 1.060 396 I HN 0.269 nan 8.210 nan 0.000 0.418 397 S N 0.831 116.585 115.700 0.089 0.000 2.356 397 S HA -0.167 4.307 4.470 0.007 0.000 0.223 397 S C 2.190 176.884 174.600 0.157 0.000 1.032 397 S CA 1.188 59.461 58.200 0.122 0.000 1.005 397 S CB -0.374 62.876 63.200 0.084 0.000 0.867 397 S HN 0.446 nan 8.310 nan 0.000 0.449 398 L N 1.397 122.685 121.223 0.109 0.000 2.042 398 L HA -0.126 4.218 4.340 0.007 0.000 0.210 398 L C 2.558 179.484 176.870 0.093 0.000 1.076 398 L CA 1.861 56.756 54.840 0.091 0.000 0.749 398 L CB -0.508 41.595 42.059 0.073 0.000 0.893 398 L HN 0.307 nan 8.230 nan 0.000 0.432 399 E N -0.311 119.954 120.200 0.109 0.000 2.085 399 E HA -0.288 4.066 4.350 0.007 0.000 0.194 399 E C 1.993 178.673 176.600 0.134 0.000 0.994 399 E CA 1.728 58.191 56.400 0.104 0.000 0.801 399 E CB -0.523 29.241 29.700 0.108 0.000 0.743 399 E HN 0.604 nan 8.360 nan 0.000 0.453 400 F N 0.988 120.962 119.950 0.039 0.000 2.186 400 F HA -0.145 4.386 4.527 0.007 0.000 0.299 400 F C 2.280 178.123 175.800 0.072 0.000 1.090 400 F CA 0.967 58.999 58.000 0.052 0.000 1.307 400 F CB 0.059 39.092 39.000 0.055 0.000 1.019 400 F HN -0.092 nan 8.300 nan 0.000 0.489 401 M N -0.083 119.565 119.600 0.080 0.000 2.159 401 M HA -0.172 4.313 4.480 0.007 0.000 0.263 401 M C 2.238 178.523 176.300 -0.025 0.000 1.063 401 M CA 1.468 56.781 55.300 0.021 0.000 1.110 401 M CB -1.255 31.386 32.600 0.069 0.000 1.374 401 M HN 0.279 nan 8.290 nan 0.000 0.411 402 L N -0.518 120.683 121.223 -0.038 0.000 2.095 402 L HA -0.150 4.194 4.340 0.007 0.000 0.204 402 L C 2.307 179.115 176.870 -0.103 0.000 1.080 402 L CA 0.981 55.786 54.840 -0.059 0.000 0.759 402 L CB -0.510 41.525 42.059 -0.039 0.000 0.914 402 L HN 0.329 nan 8.230 nan 0.000 0.439 403 E N -0.310 119.814 120.200 -0.127 0.000 2.153 403 E HA -0.283 4.071 4.350 0.007 0.000 0.194 403 E C 2.128 178.580 176.600 -0.247 0.000 0.988 403 E CA 1.036 57.338 56.400 -0.163 0.000 0.811 403 E CB 0.053 29.676 29.700 -0.128 0.000 0.746 403 E HN 0.325 nan 8.360 nan 0.000 0.466 404 Q N 0.301 119.914 119.800 -0.312 0.000 2.083 404 Q HA -0.029 4.316 4.340 0.007 0.000 0.198 404 Q C 1.917 177.714 176.000 -0.338 0.000 0.969 404 Q CA 1.460 57.116 55.803 -0.244 0.000 0.838 404 Q CB -0.131 28.493 28.738 -0.190 0.000 0.900 404 Q HN 0.249 nan 8.270 nan 0.000 0.436 405 A N 0.390 123.025 122.820 -0.308 0.000 1.969 405 A HA -0.166 4.158 4.320 0.007 0.000 0.218 405 A C 1.787 179.145 177.584 -0.376 0.000 1.169 405 A CA 1.543 53.286 52.037 -0.490 0.000 0.635 405 A CB -0.542 18.465 19.000 0.012 0.000 0.810 405 A HN 0.389 nan 8.150 nan 0.000 0.445 406 N N -0.001 118.545 118.700 -0.255 0.000 2.270 406 N HA -0.089 4.655 4.740 0.007 0.000 0.181 406 N C 1.601 176.951 175.510 -0.266 0.000 1.016 406 N CA 1.169 54.096 53.050 -0.206 0.000 0.870 406 N CB -0.251 38.145 38.487 -0.151 0.000 0.979 406 N HN 0.540 nan 8.380 nan 0.000 0.431 407 K N -0.018 120.155 120.400 -0.378 0.000 2.026 407 K HA -0.040 4.284 4.320 0.007 0.000 0.208 407 K C 0.783 177.005 176.600 -0.631 0.000 1.048 407 K CA 1.077 57.026 56.287 -0.563 0.000 0.929 407 K CB -0.131 31.875 32.500 -0.824 0.000 0.713 407 K HN 0.134 nan 8.250 nan 0.000 0.439 408 F N 0.325 120.085 119.950 -0.317 0.000 2.645 408 F HA 0.245 4.776 4.527 0.007 0.000 0.300 408 F C 1.442 177.134 175.800 -0.180 0.000 1.115 408 F CA -0.477 57.385 58.000 -0.230 0.000 1.355 408 F CB -0.326 38.508 39.000 -0.278 0.000 1.026 408 F HN -0.009 nan 8.300 nan 0.000 0.536 409 A N 1.066 123.832 122.820 -0.089 0.000 2.404 409 A HA -0.164 4.160 4.320 0.007 0.000 0.189 409 A C 1.096 178.699 177.584 0.032 0.000 1.145 409 A CA 0.893 52.907 52.037 -0.038 0.000 0.839 409 A CB -1.175 17.779 19.000 -0.076 0.000 0.848 409 A HN 0.463 nan 8.150 nan 0.000 0.545 410 N N -1.238 117.452 118.700 -0.017 0.000 2.146 410 N HA 0.205 4.949 4.740 0.007 0.000 0.215 410 N C -0.262 175.294 175.510 0.077 0.000 1.313 410 N CA 1.127 54.165 53.050 -0.020 0.000 0.877 410 N CB -0.076 38.345 38.487 -0.110 0.000 1.076 410 N HN 0.632 nan 8.380 nan 0.000 0.437 411 H N -1.667 117.410 119.070 0.012 0.000 5.889 411 H HA -0.065 4.495 4.556 0.007 0.000 0.826 411 H C 0.076 175.424 175.328 0.034 0.000 1.955 411 H CA -0.176 55.888 56.048 0.027 0.000 1.527 411 H CB -0.167 29.625 29.762 0.050 0.000 4.483 411 H HN 0.731 nan 8.280 nan 0.000 0.662 412 K N 1.733 122.273 120.400 0.233 0.000 2.101 412 K HA 0.172 4.497 4.320 0.007 0.000 0.226 412 K C 0.591 177.243 176.600 0.087 0.000 0.919 412 K CA 1.426 57.805 56.287 0.152 0.000 1.062 412 K CB -0.174 32.446 32.500 0.199 0.000 0.698 412 K HN 0.516 nan 8.250 nan 0.000 0.597 413 A N 0.976 123.841 122.820 0.075 0.000 2.309 413 A HA 0.494 4.819 4.320 0.007 0.000 0.298 413 A C -0.180 177.161 177.584 -0.404 0.000 1.165 413 A CA -0.629 51.245 52.037 -0.272 0.000 0.821 413 A CB -0.044 18.641 19.000 -0.525 0.000 1.102 413 A HN 0.538 nan 8.150 nan 0.000 0.500 414 I N -1.997 118.242 120.570 -0.553 0.000 2.740 414 I HA 0.760 4.935 4.170 0.007 0.000 0.303 414 I C -0.953 174.754 176.117 -0.684 0.000 1.044 414 I CA -1.037 60.012 61.300 -0.418 0.000 1.064 414 I CB 1.897 39.751 38.000 -0.244 0.000 1.249 414 I HN 0.634 nan 8.210 nan 0.000 0.433 415 W N 2.912 123.984 121.300 -0.382 0.000 2.820 415 W HA 0.579 5.243 4.660 0.007 0.000 0.350 415 W C -1.657 174.455 176.519 -0.680 0.000 1.116 415 W CA -0.548 56.603 57.345 -0.323 0.000 1.146 415 W CB 2.179 31.581 29.460 -0.095 0.000 1.433 415 W HN 0.336 nan 8.180 nan 0.000 0.561 416 F N 1.163 121.247 119.950 0.223 0.000 2.539 416 F HA 0.344 4.876 4.527 0.008 0.000 0.328 416 F C -2.155 173.542 175.800 -0.171 0.000 1.148 416 F CA -2.497 55.437 58.000 -0.110 0.000 0.940 416 F CB 1.036 39.808 39.000 -0.381 0.000 1.194 416 F HN -0.257 nan 8.300 nan 0.000 0.438 417 P HA 0.118 nan 4.420 nan 0.000 0.271 417 P C -1.359 175.821 177.300 -0.200 0.000 1.218 417 P CA -0.013 62.994 63.100 -0.155 0.000 0.780 417 P CB 0.459 31.869 31.700 -0.483 0.000 0.901 418 Y N 0.779 121.148 120.300 0.116 0.000 2.409 418 Y HA 0.415 4.969 4.550 0.007 0.000 0.343 418 Y C 0.817 176.780 175.900 0.106 0.000 0.973 418 Y CA -0.099 58.059 58.100 0.096 0.000 1.064 418 Y CB 1.849 40.345 38.460 0.061 0.000 1.207 418 Y HN 0.345 nan 8.280 nan 0.000 0.452 419 N N 1.722 120.521 118.700 0.165 0.000 2.890 419 N HA 0.714 5.458 4.740 0.007 0.000 0.317 419 N C -1.468 174.041 175.510 -0.002 0.000 1.355 419 N CA -0.979 52.069 53.050 -0.003 0.000 0.803 419 N CB 1.680 40.155 38.487 -0.021 0.000 1.465 419 N HN 0.411 nan 8.380 nan 0.000 0.591 420 M N 0.842 120.386 119.600 -0.093 0.000 2.484 420 M HA 0.232 4.716 4.480 0.007 0.000 0.289 420 M C -1.398 174.891 176.300 -0.018 0.000 1.206 420 M CA -0.925 54.354 55.300 -0.035 0.000 0.892 420 M CB 2.210 34.678 32.600 -0.219 0.000 1.712 420 M HN 0.641 nan 8.290 nan 0.000 0.462 421 D N 1.014 121.446 120.400 0.054 0.000 2.414 421 D HA 0.010 4.654 4.640 0.007 0.000 0.259 421 D C 0.964 177.293 176.300 0.048 0.000 1.269 421 D CA -0.341 53.653 54.000 -0.011 0.000 1.028 421 D CB 0.184 40.945 40.800 -0.065 0.000 1.093 421 D HN 0.800 nan 8.370 nan 0.000 0.545 422 W N -0.667 120.680 121.300 0.078 0.000 2.747 422 W HA 0.017 4.680 4.660 0.006 0.000 0.244 422 W C -0.060 176.610 176.519 0.251 0.000 1.270 422 W CA -0.364 57.073 57.345 0.154 0.000 1.333 422 W CB -0.782 28.770 29.460 0.152 0.000 1.139 422 W HN 0.113 nan 8.180 nan 0.000 0.662 423 R N -0.378 119.949 120.500 -0.288 0.000 3.067 423 R HA 0.486 4.831 4.340 0.007 0.000 0.222 423 R C 1.943 178.064 176.300 -0.299 0.000 1.551 423 R CA -0.242 55.718 56.100 -0.233 0.000 1.034 423 R CB -0.493 29.472 30.300 -0.558 0.000 1.889 423 R HN -0.135 nan 8.270 nan 0.000 0.526 424 G N 0.083 108.562 108.800 -0.536 0.000 2.430 424 G HA2 -0.115 3.849 3.960 0.007 0.000 0.216 424 G HA3 -0.115 3.849 3.960 0.007 0.000 0.216 424 G C 0.746 175.301 174.900 -0.575 0.000 1.146 424 G CA 0.416 44.916 45.100 -0.999 0.000 0.793 424 G HN 0.567 nan 8.290 nan 0.000 0.537 425 R N 0.381 120.703 120.500 -0.296 0.000 2.523 425 R HA 0.380 4.725 4.340 0.007 0.000 0.281 425 R C -0.082 176.100 176.300 -0.197 0.000 0.969 425 R CA 0.269 56.261 56.100 -0.179 0.000 1.093 425 R CB -0.803 29.471 30.300 -0.044 0.000 0.917 425 R HN 0.249 nan 8.270 nan 0.000 0.408 426 V N 3.582 123.295 119.914 -0.335 0.000 2.465 426 V HA 0.500 4.624 4.120 0.007 0.000 0.279 426 V C -0.635 175.227 176.094 -0.386 0.000 1.045 426 V CA -0.520 61.618 62.300 -0.271 0.000 0.938 426 V CB 0.676 32.319 31.823 -0.299 0.000 0.986 426 V HN 0.783 nan 8.190 nan 0.000 0.467 427 Y N 1.791 122.102 120.300 0.019 0.000 2.462 427 Y HA 0.697 5.250 4.550 0.006 0.000 0.346 427 Y C 0.393 176.291 175.900 -0.005 0.000 0.976 427 Y CA -0.796 57.313 58.100 0.015 0.000 1.044 427 Y CB 1.921 40.370 38.460 -0.018 0.000 1.230 427 Y HN 0.699 nan 8.280 nan 0.000 0.455 428 A N 2.056 124.838 122.820 -0.064 0.000 2.362 428 A HA 0.436 4.760 4.320 0.007 0.000 0.276 428 A C 0.695 178.138 177.584 -0.235 0.000 1.153 428 A CA -0.423 51.316 52.037 -0.496 0.000 0.813 428 A CB 0.217 18.818 19.000 -0.666 0.000 1.081 428 A HN 0.792 nan 8.150 nan 0.000 0.507 429 V N 2.941 122.726 119.914 -0.214 0.000 2.343 429 V HA -0.144 3.981 4.120 0.007 0.000 0.247 429 V C 1.803 177.888 176.094 -0.015 0.000 1.051 429 V CA 2.043 64.277 62.300 -0.110 0.000 1.036 429 V CB -1.134 30.669 31.823 -0.033 0.000 0.654 429 V HN 0.997 nan 8.190 nan 0.000 0.451 430 S N -0.285 115.452 115.700 0.061 0.000 2.589 430 S HA 0.111 4.586 4.470 0.007 0.000 0.265 430 S C 0.776 175.430 174.600 0.091 0.000 1.342 430 S CA 0.058 58.351 58.200 0.155 0.000 1.005 430 S CB 0.845 64.126 63.200 0.135 0.000 0.909 430 S HN 0.222 nan 8.310 nan 0.000 0.555 431 M N 0.658 120.369 119.600 0.186 0.000 2.123 431 M HA 0.286 4.770 4.480 0.007 0.000 0.263 431 M C 0.322 176.707 176.300 0.141 0.000 1.069 431 M CA 0.931 56.363 55.300 0.220 0.000 1.133 431 M CB -0.463 32.367 32.600 0.384 0.000 1.356 431 M HN 0.726 nan 8.290 nan 0.000 0.415 432 F N 2.208 122.130 119.950 -0.046 0.000 2.466 432 F HA 0.305 4.836 4.527 0.007 0.000 0.363 432 F C -0.585 175.029 175.800 -0.311 0.000 1.109 432 F CA -0.090 57.836 58.000 -0.122 0.000 1.161 432 F CB -0.247 38.721 39.000 -0.054 0.000 1.117 432 F HN 0.209 nan 8.300 nan 0.000 0.539 433 N N 6.487 124.697 118.700 -0.817 0.000 2.321 433 N HA 0.354 5.099 4.740 0.007 0.000 0.290 433 N C -2.322 172.512 175.510 -1.127 0.000 1.212 433 N CA -1.726 50.700 53.050 -1.039 0.000 0.767 433 N CB 2.094 40.212 38.487 -0.616 0.000 1.494 433 N HN 0.212 nan 8.380 nan 0.000 0.479 434 P HA -0.002 nan 4.420 nan 0.000 0.242 434 P C 0.046 177.015 177.300 -0.552 0.000 1.197 434 P CA 0.952 63.436 63.100 -1.028 0.000 0.765 434 P CB 0.241 30.873 31.700 -1.780 0.000 0.936 435 Q N -0.942 118.566 119.800 -0.486 0.000 2.319 435 Q HA 0.199 4.544 4.340 0.007 0.000 0.202 435 Q C 1.315 177.202 176.000 -0.189 0.000 0.896 435 Q CA -0.206 55.438 55.803 -0.266 0.000 0.942 435 Q CB 0.249 28.853 28.738 -0.223 0.000 1.083 435 Q HN 0.192 nan 8.270 nan 0.000 0.510 436 G N 1.683 110.331 108.800 -0.254 0.000 2.489 436 G HA2 -0.006 3.959 3.960 0.007 0.000 0.271 436 G HA3 -0.006 3.959 3.960 0.007 0.000 0.271 436 G C 0.064 174.905 174.900 -0.099 0.000 1.427 436 G CA -0.537 44.463 45.100 -0.166 0.000 1.057 436 G HN 0.396 nan 8.290 nan 0.000 0.532 437 N N -1.194 117.470 118.700 -0.060 0.000 2.322 437 N HA 0.035 4.779 4.740 0.007 0.000 0.270 437 N C 0.777 176.285 175.510 -0.002 0.000 1.286 437 N CA 0.281 53.323 53.050 -0.014 0.000 0.948 437 N CB 0.699 39.196 38.487 0.016 0.000 1.164 437 N HN 0.419 nan 8.380 nan 0.000 0.551 438 D N -0.001 120.433 120.400 0.055 0.000 2.126 438 D HA -0.281 4.363 4.640 0.007 0.000 0.190 438 D C 2.009 178.390 176.300 0.135 0.000 1.001 438 D CA 1.896 55.971 54.000 0.124 0.000 0.841 438 D CB -0.059 40.859 40.800 0.196 0.000 0.949 438 D HN 0.601 nan 8.370 nan 0.000 0.446 439 M N -0.507 119.121 119.600 0.046 0.000 2.086 439 M HA -0.161 4.323 4.480 0.007 0.000 0.261 439 M C 1.915 178.101 176.300 -0.189 0.000 1.067 439 M CA 1.905 57.029 55.300 -0.294 0.000 1.116 439 M CB -0.276 31.997 32.600 -0.546 0.000 1.348 439 M HN 0.053 nan 8.290 nan 0.000 0.407 440 T N 0.865 115.343 114.554 -0.127 0.000 2.746 440 T HA -0.160 4.195 4.350 0.007 0.000 0.267 440 T C 1.699 176.267 174.700 -0.221 0.000 1.039 440 T CA 1.598 63.595 62.100 -0.171 0.000 1.142 440 T CB -0.239 68.481 68.868 -0.246 0.000 0.866 440 T HN 0.457 nan 8.240 nan 0.000 0.444 441 K N 0.577 120.894 120.400 -0.140 0.000 2.097 441 K HA 0.023 4.348 4.320 0.007 0.000 0.205 441 K C 2.684 179.307 176.600 0.038 0.000 1.050 441 K CA 1.046 57.283 56.287 -0.082 0.000 0.938 441 K CB -0.383 32.104 32.500 -0.022 0.000 0.718 441 K HN 0.385 nan 8.250 nan 0.000 0.442 442 G N 1.333 110.182 108.800 0.082 0.000 2.422 442 G HA2 -0.190 3.775 3.960 0.007 0.000 0.218 442 G HA3 -0.190 3.775 3.960 0.007 0.000 0.218 442 G C 1.400 176.384 174.900 0.139 0.000 1.140 442 G CA 0.367 45.565 45.100 0.164 0.000 0.775 442 G HN 0.103 nan 8.290 nan 0.000 0.545 443 L N -0.323 120.952 121.223 0.087 0.000 2.465 443 L HA 0.245 4.589 4.340 0.007 0.000 0.224 443 L C 0.761 177.751 176.870 0.201 0.000 1.145 443 L CA 0.035 54.960 54.840 0.140 0.000 0.834 443 L CB -0.163 42.012 42.059 0.192 0.000 0.944 443 L HN 0.097 nan 8.230 nan 0.000 0.451 444 L N -1.285 120.035 121.223 0.162 0.000 2.334 444 L HA 0.542 4.887 4.340 0.007 0.000 0.273 444 L C -0.069 176.959 176.870 0.264 0.000 1.013 444 L CA -0.179 54.795 54.840 0.223 0.000 0.816 444 L CB 2.051 44.173 42.059 0.104 0.000 1.278 444 L HN -0.203 nan 8.230 nan 0.000 0.431 445 T N 1.686 116.423 114.554 0.304 0.000 2.853 445 T HA 0.505 4.859 4.350 0.007 0.000 0.311 445 T C -0.970 173.819 174.700 0.147 0.000 1.307 445 T CA -0.596 61.630 62.100 0.210 0.000 1.019 445 T CB 0.992 69.930 68.868 0.117 0.000 1.264 445 T HN 0.324 nan 8.240 nan 0.000 0.497 446 L N 2.876 124.069 121.223 -0.050 0.000 2.439 446 L HA 0.500 4.845 4.340 0.007 0.000 0.269 446 L C 1.749 178.539 176.870 -0.135 0.000 1.179 446 L CA -0.300 54.412 54.840 -0.213 0.000 0.828 446 L CB 0.576 42.428 42.059 -0.345 0.000 1.106 446 L HN 0.929 nan 8.230 nan 0.000 0.467 447 A N 3.250 125.968 122.820 -0.171 0.000 1.850 447 A HA -0.010 4.314 4.320 0.007 0.000 0.212 447 A C 0.747 178.263 177.584 -0.113 0.000 1.208 447 A CA 0.629 52.586 52.037 -0.133 0.000 0.609 447 A CB -0.142 18.745 19.000 -0.188 0.000 0.860 447 A HN 0.753 nan 8.150 nan 0.000 0.448 448 K N 0.512 120.837 120.400 -0.125 0.000 2.285 448 K HA 0.520 4.845 4.320 0.007 0.000 0.286 448 K C -0.019 176.513 176.600 -0.112 0.000 1.072 448 K CA -0.001 56.229 56.287 -0.095 0.000 0.913 448 K CB 1.007 33.466 32.500 -0.067 0.000 1.067 448 K HN 0.184 nan 8.250 nan 0.000 0.479 449 G N 2.370 111.108 108.800 -0.103 0.000 2.417 449 G HA2 0.344 4.309 3.960 0.007 0.000 0.334 449 G HA3 0.344 4.309 3.960 0.007 0.000 0.334 449 G C -1.355 173.488 174.900 -0.095 0.000 1.150 449 G CA -0.833 44.200 45.100 -0.112 0.000 0.923 449 G HN 0.567 nan 8.290 nan 0.000 0.485 450 K N 1.430 121.777 120.400 -0.088 0.000 2.376 450 K HA 0.491 4.815 4.320 0.007 0.000 0.257 450 K C -2.638 173.929 176.600 -0.054 0.000 0.939 450 K CA -1.923 54.324 56.287 -0.066 0.000 0.809 450 K CB 2.734 35.197 32.500 -0.062 0.000 1.121 450 K HN 0.221 nan 8.250 nan 0.000 0.425 451 P HA 0.218 nan 4.420 nan 0.000 0.292 451 P C -0.383 176.917 177.300 -0.001 0.000 1.326 451 P CA -0.255 62.826 63.100 -0.032 0.000 0.787 451 P CB 1.054 32.731 31.700 -0.039 0.000 0.903 452 I N 1.459 122.045 120.570 0.025 0.000 3.223 452 I HA 0.013 4.187 4.170 0.007 0.000 0.239 452 I C 0.501 176.682 176.117 0.106 0.000 1.024 452 I CA 0.840 62.168 61.300 0.046 0.000 1.520 452 I CB -0.519 37.491 38.000 0.017 0.000 2.284 452 I HN 0.437 nan 8.210 nan 0.000 0.367 453 G N 0.941 109.802 108.800 0.102 0.000 2.553 453 G HA2 0.346 4.310 3.960 0.007 0.000 0.278 453 G HA3 0.346 4.310 3.960 0.007 0.000 0.278 453 G C 0.603 175.595 174.900 0.153 0.000 1.349 453 G CA 1.012 46.192 45.100 0.134 0.000 1.037 453 G HN 0.637 nan 8.290 nan 0.000 0.508 454 K N -2.043 118.463 120.400 0.177 0.000 10.660 454 K HA -0.348 3.976 4.320 0.007 0.000 0.523 454 K C 1.942 178.672 176.600 0.217 0.000 0.379 454 K CA 2.258 58.650 56.287 0.174 0.000 1.947 454 K CB -1.251 31.306 32.500 0.094 0.000 0.758 454 K HN 0.510 nan 8.250 nan 0.000 1.189 455 E N -0.539 119.779 120.200 0.196 0.000 2.051 455 E HA 0.046 4.400 4.350 0.007 0.000 0.189 455 E C 1.750 178.586 176.600 0.394 0.000 0.979 455 E CA 1.940 58.489 56.400 0.248 0.000 0.803 455 E CB -0.358 29.454 29.700 0.187 0.000 0.761 455 E HN 0.523 nan 8.360 nan 0.000 0.451 456 G N -0.805 108.187 108.800 0.320 0.000 2.403 456 G HA2 -0.269 3.696 3.960 0.007 0.000 0.216 456 G HA3 -0.269 3.696 3.960 0.007 0.000 0.216 456 G C 1.443 176.576 174.900 0.390 0.000 1.154 456 G CA 0.689 45.991 45.100 0.338 0.000 0.784 456 G HN 0.370 nan 8.290 nan 0.000 0.538 457 Y N 0.267 120.711 120.300 0.240 0.000 2.333 457 Y HA -0.130 4.425 4.550 0.007 0.000 0.290 457 Y C 2.267 178.320 175.900 0.255 0.000 1.144 457 Y CA 1.035 59.272 58.100 0.229 0.000 1.228 457 Y CB -0.303 38.255 38.460 0.164 0.000 0.985 457 Y HN 0.301 nan 8.280 nan 0.000 0.542 458 Y N -0.938 119.404 120.300 0.070 0.000 2.133 458 Y HA -0.264 4.291 4.550 0.007 0.000 0.287 458 Y C 2.075 177.880 175.900 -0.158 0.000 1.134 458 Y CA 2.089 60.102 58.100 -0.145 0.000 1.133 458 Y CB -0.818 37.474 38.460 -0.280 0.000 0.987 458 Y HN 0.127 nan 8.280 nan 0.000 0.502 459 W N -0.206 121.117 121.300 0.039 0.000 2.595 459 W HA -0.096 4.568 4.660 0.006 0.000 0.257 459 W C 1.977 178.505 176.519 0.015 0.000 1.267 459 W CA 0.701 58.038 57.345 -0.013 0.000 1.300 459 W CB -0.444 29.107 29.460 0.151 0.000 1.120 459 W HN 0.293 nan 8.180 nan 0.000 0.618 460 L N 1.407 122.771 121.223 0.235 0.000 2.093 460 L HA -0.141 4.203 4.340 0.007 0.000 0.208 460 L C 2.154 179.170 176.870 0.244 0.000 1.085 460 L CA 1.976 56.978 54.840 0.270 0.000 0.755 460 L CB -0.618 41.641 42.059 0.332 0.000 0.904 460 L HN -0.250 nan 8.230 nan 0.000 0.435 461 K N -0.807 119.631 120.400 0.063 0.000 2.217 461 K HA -0.037 4.287 4.320 0.007 0.000 0.202 461 K C 1.942 178.449 176.600 -0.156 0.000 1.051 461 K CA 0.860 57.134 56.287 -0.022 0.000 0.952 461 K CB -0.048 32.399 32.500 -0.088 0.000 0.736 461 K HN 0.256 nan 8.250 nan 0.000 0.453 462 I N 1.019 121.508 120.570 -0.133 0.000 2.252 462 I HA -0.266 3.908 4.170 0.007 0.000 0.245 462 I C 2.504 178.601 176.117 -0.032 0.000 1.102 462 I CA 1.587 62.875 61.300 -0.021 0.000 1.385 462 I CB -1.295 36.755 38.000 0.083 0.000 1.064 462 I HN 0.338 nan 8.210 nan 0.000 0.414 463 H N 1.267 120.257 119.070 -0.134 0.000 2.387 463 H HA -0.105 4.456 4.556 0.007 0.000 0.299 463 H C 2.132 177.248 175.328 -0.353 0.000 1.090 463 H CA 1.724 57.644 56.048 -0.213 0.000 1.332 463 H CB 0.087 29.766 29.762 -0.139 0.000 1.386 463 H HN 0.290 nan 8.280 nan 0.000 0.516 464 G N 0.216 108.574 108.800 -0.737 0.000 2.418 464 G HA2 -0.232 3.732 3.960 0.007 0.000 0.217 464 G HA3 -0.232 3.732 3.960 0.007 0.000 0.217 464 G C 1.953 176.582 174.900 -0.452 0.000 1.158 464 G CA 1.053 45.295 45.100 -1.429 0.000 0.771 464 G HN 0.554 nan 8.290 nan 0.000 0.545 465 A N 1.247 123.903 122.820 -0.273 0.000 1.898 465 A HA -0.066 4.258 4.320 0.007 0.000 0.216 465 A C 2.271 179.729 177.584 -0.210 0.000 1.181 465 A CA 1.803 53.774 52.037 -0.110 0.000 0.620 465 A CB -0.422 18.550 19.000 -0.047 0.000 0.819 465 A HN 0.333 nan 8.150 nan 0.000 0.442 466 N N -0.019 118.525 118.700 -0.260 0.000 2.223 466 N HA -0.139 4.606 4.740 0.007 0.000 0.185 466 N C 1.629 176.974 175.510 -0.276 0.000 1.016 466 N CA 1.553 54.424 53.050 -0.298 0.000 0.863 466 N CB -0.854 37.391 38.487 -0.403 0.000 0.983 466 N HN 0.533 nan 8.380 nan 0.000 0.429 467 C N 0.831 119.957 119.300 -0.291 0.000 2.435 467 C HA 0.182 4.647 4.460 0.007 0.000 0.279 467 C C 1.687 176.579 174.990 -0.164 0.000 1.321 467 C CA -0.239 58.682 59.018 -0.163 0.000 1.752 467 C CB -1.164 26.564 27.740 -0.020 0.000 1.959 467 C HN 0.405 nan 8.230 nan 0.000 0.500 468 A N 0.226 122.900 122.820 -0.243 0.000 2.249 468 A HA 0.513 4.837 4.320 0.007 0.000 0.281 468 A C 1.298 178.682 177.584 -0.333 0.000 1.127 468 A CA 0.409 52.197 52.037 -0.415 0.000 0.833 468 A CB -0.259 18.461 19.000 -0.465 0.000 1.140 468 A HN 0.488 nan 8.150 nan 0.000 0.502 469 G N -0.807 107.789 108.800 -0.341 0.000 3.375 469 G HA2 0.408 4.372 3.960 0.007 0.000 0.247 469 G HA3 0.408 4.372 3.960 0.007 0.000 0.247 469 G C -0.341 174.371 174.900 -0.314 0.000 1.343 469 G CA 0.224 45.162 45.100 -0.270 0.000 1.368 469 G HN 0.615 nan 8.290 nan 0.000 0.549 470 V N 1.494 121.185 119.914 -0.372 0.000 2.380 470 V HA 0.262 4.387 4.120 0.007 0.000 0.268 470 V C -0.486 175.477 176.094 -0.218 0.000 1.008 470 V CA -0.619 61.450 62.300 -0.385 0.000 0.823 470 V CB 1.243 32.630 31.823 -0.727 0.000 1.053 470 V HN 0.461 nan 8.190 nan 0.000 0.446 471 D N 2.428 122.759 120.400 -0.115 0.000 2.530 471 D HA 0.019 4.663 4.640 0.007 0.000 0.253 471 D C 0.692 177.063 176.300 0.118 0.000 1.338 471 D CA -0.201 53.821 54.000 0.036 0.000 0.806 471 D CB 0.492 41.292 40.800 -0.001 0.000 1.160 471 D HN 0.496 nan 8.370 nan 0.000 0.514 472 K N 0.855 121.228 120.400 -0.045 0.000 2.896 472 K HA 0.448 4.773 4.320 0.007 0.000 0.210 472 K C -0.654 175.757 176.600 -0.314 0.000 1.116 472 K CA -0.638 55.573 56.287 -0.126 0.000 1.050 472 K CB 1.169 33.623 32.500 -0.076 0.000 0.812 472 K HN 0.055 nan 8.250 nan 0.000 0.462 473 V N 1.544 121.208 119.914 -0.417 0.000 2.932 473 V HA 0.386 4.510 4.120 0.007 0.000 0.307 473 V C -2.657 172.973 176.094 -0.774 0.000 1.147 473 V CA -2.239 59.728 62.300 -0.554 0.000 0.951 473 V CB 2.585 34.253 31.823 -0.258 0.000 1.031 473 V HN 0.124 nan 8.190 nan 0.000 0.426 474 P HA -0.020 nan 4.420 nan 0.000 0.267 474 P C 0.456 178.166 177.300 0.683 0.000 1.175 474 P CA 0.536 64.009 63.100 0.622 0.000 0.763 474 P CB 0.284 32.384 31.700 0.667 0.000 0.795 475 F N 3.312 123.678 119.950 0.693 0.000 2.126 475 F HA -0.122 4.409 4.527 0.008 0.000 0.299 475 F C -0.278 175.610 175.800 0.147 0.000 1.096 475 F CA 2.151 60.301 58.000 0.249 0.000 1.255 475 F CB -2.780 36.251 39.000 0.052 0.000 0.997 475 F HN 0.389 nan 8.300 nan 0.000 0.479 476 P HA -0.191 nan 4.420 nan 0.000 0.218 476 P C 1.344 178.751 177.300 0.178 0.000 1.148 476 P CA 1.608 64.842 63.100 0.224 0.000 0.822 476 P CB -0.067 31.747 31.700 0.190 0.000 0.784 477 E N -0.497 119.811 120.200 0.180 0.000 2.216 477 E HA -0.098 4.256 4.350 0.007 0.000 0.192 477 E C 1.985 178.676 176.600 0.152 0.000 0.988 477 E CA 0.439 56.921 56.400 0.137 0.000 0.834 477 E CB -0.004 29.749 29.700 0.089 0.000 0.772 477 E HN 0.100 nan 8.360 nan 0.000 0.479 478 R N 0.281 120.874 120.500 0.155 0.000 2.075 478 R HA -0.072 4.272 4.340 0.007 0.000 0.232 478 R C 2.271 178.667 176.300 0.159 0.000 1.126 478 R CA 0.973 57.160 56.100 0.145 0.000 0.963 478 R CB -0.132 30.262 30.300 0.156 0.000 0.858 478 R HN 0.246 nan 8.270 nan 0.000 0.435 479 I N 1.308 121.944 120.570 0.109 0.000 2.226 479 I HA -0.230 3.944 4.170 0.007 0.000 0.245 479 I C 2.262 178.453 176.117 0.123 0.000 1.100 479 I CA 1.353 62.694 61.300 0.068 0.000 1.374 479 I CB -0.735 37.289 38.000 0.040 0.000 1.057 479 I HN 0.040 nan 8.210 nan 0.000 0.413 480 K N 1.220 121.706 120.400 0.143 0.000 2.057 480 K HA -0.216 4.108 4.320 0.007 0.000 0.207 480 K C 2.140 178.835 176.600 0.158 0.000 1.049 480 K CA 1.395 57.763 56.287 0.136 0.000 0.931 480 K CB -0.727 31.849 32.500 0.128 0.000 0.714 480 K HN 0.145 nan 8.250 nan 0.000 0.440 481 F N 0.561 120.547 119.950 0.061 0.000 2.134 481 F HA -0.161 4.370 4.527 0.008 0.000 0.299 481 F C 1.542 177.401 175.800 0.098 0.000 1.097 481 F CA 1.279 59.322 58.000 0.072 0.000 1.264 481 F CB -0.011 39.025 39.000 0.060 0.000 1.001 481 F HN -0.030 nan 8.300 nan 0.000 0.479 482 I N 0.480 121.138 120.570 0.147 0.000 2.233 482 I HA -0.205 3.969 4.170 0.007 0.000 0.243 482 I C 2.191 178.321 176.117 0.022 0.000 1.093 482 I CA 1.336 62.672 61.300 0.059 0.000 1.380 482 I CB -1.566 36.495 38.000 0.102 0.000 1.067 482 I HN 0.259 nan 8.210 nan 0.000 0.413 483 E N 0.633 120.881 120.200 0.081 0.000 2.268 483 E HA -0.191 4.164 4.350 0.007 0.000 0.195 483 E C 1.945 178.576 176.600 0.052 0.000 0.995 483 E CA 0.736 57.201 56.400 0.109 0.000 0.836 483 E CB 0.022 29.785 29.700 0.106 0.000 0.763 483 E HN 0.557 nan 8.360 nan 0.000 0.491 484 E N 0.675 120.865 120.200 -0.017 0.000 2.112 484 E HA -0.022 4.332 4.350 0.007 0.000 0.190 484 E C 0.991 177.522 176.600 -0.115 0.000 0.979 484 E CA 0.450 56.812 56.400 -0.062 0.000 0.814 484 E CB 0.110 29.758 29.700 -0.086 0.000 0.762 484 E HN 0.186 nan 8.360 nan 0.000 0.460 485 N N 0.782 119.363 118.700 -0.198 0.000 2.389 485 N HA -0.038 4.706 4.740 0.007 0.000 0.237 485 N C 0.900 176.324 175.510 -0.143 0.000 1.148 485 N CA 0.010 52.899 53.050 -0.267 0.000 0.854 485 N CB 0.214 38.449 38.487 -0.419 0.000 1.115 485 N HN 0.242 nan 8.380 nan 0.000 0.492 486 H N 1.076 120.082 119.070 -0.108 0.000 2.456 486 H HA -0.055 4.505 4.556 0.007 0.000 0.296 486 H C 0.720 176.026 175.328 -0.036 0.000 1.079 486 H CA 1.453 57.490 56.048 -0.018 0.000 1.322 486 H CB 0.812 30.605 29.762 0.052 0.000 1.388 486 H HN 0.219 nan 8.280 nan 0.000 0.538 487 E N 0.028 120.207 120.200 -0.036 0.000 2.170 487 E HA -0.063 4.291 4.350 0.007 0.000 0.191 487 E C 1.985 178.480 176.600 -0.175 0.000 0.981 487 E CA 0.479 56.829 56.400 -0.084 0.000 0.830 487 E CB 0.090 29.753 29.700 -0.062 0.000 0.775 487 E HN 0.437 nan 8.360 nan 0.000 0.470 488 N N 0.118 118.636 118.700 -0.303 0.000 2.142 488 N HA -0.018 4.727 4.740 0.007 0.000 0.186 488 N C 0.582 175.991 175.510 -0.169 0.000 1.023 488 N CA 0.676 53.447 53.050 -0.467 0.000 0.852 488 N CB -0.006 37.756 38.487 -1.208 0.000 0.998 488 N HN 0.153 nan 8.380 nan 0.000 0.424 489 I N 0.346 120.848 120.570 -0.114 0.000 3.211 489 I HA -0.065 4.109 4.170 0.007 0.000 0.297 489 I C 1.238 177.278 176.117 -0.130 0.000 1.095 489 I CA -0.363 60.904 61.300 -0.056 0.000 1.239 489 I CB 0.386 38.286 38.000 -0.167 0.000 1.455 489 I HN -0.036 nan 8.210 nan 0.000 0.630 490 M N 0.202 119.733 119.600 -0.115 0.000 2.825 490 M HA -0.326 4.158 4.480 0.007 0.000 0.154 490 M C 1.492 177.779 176.300 -0.022 0.000 0.687 490 M CA 2.075 57.324 55.300 -0.084 0.000 0.590 490 M CB -2.384 30.110 32.600 -0.176 0.000 2.159 490 M HN 0.814 nan 8.290 nan 0.000 0.262 491 A N -0.818 121.990 122.820 -0.019 0.000 1.968 491 A HA -0.036 4.289 4.320 0.007 0.000 0.217 491 A C 2.136 179.765 177.584 0.075 0.000 1.169 491 A CA 1.779 53.834 52.037 0.028 0.000 0.638 491 A CB -0.766 18.241 19.000 0.013 0.000 0.812 491 A HN 0.726 nan 8.150 nan 0.000 0.446 492 C N -1.076 118.275 119.300 0.085 0.000 2.446 492 C HA 0.212 4.677 4.460 0.007 0.000 0.279 492 C C 3.114 178.032 174.990 -0.120 0.000 1.366 492 C CA 0.616 59.709 59.018 0.126 0.000 1.763 492 C CB -1.040 26.867 27.740 0.277 0.000 1.929 492 C HN 0.690 nan 8.230 nan 0.000 0.509 493 A N 0.388 123.107 122.820 -0.169 0.000 2.021 493 A HA -0.057 4.267 4.320 0.007 0.000 0.216 493 A C 2.035 179.700 177.584 0.136 0.000 1.163 493 A CA 1.509 53.437 52.037 -0.182 0.000 0.676 493 A CB -0.296 18.647 19.000 -0.095 0.000 0.818 493 A HN 0.499 nan 8.150 nan 0.000 0.453 494 K N 0.442 120.901 120.400 0.098 0.000 1.984 494 K HA 0.035 4.359 4.320 0.007 0.000 0.209 494 K C -0.105 176.583 176.600 0.147 0.000 1.046 494 K CA 1.857 58.213 56.287 0.116 0.000 0.934 494 K CB -0.116 32.434 32.500 0.083 0.000 0.717 494 K HN 0.234 nan 8.250 nan 0.000 0.438 495 S N 1.075 116.868 115.700 0.155 0.000 2.383 495 S HA 0.246 4.720 4.470 0.007 0.000 0.196 495 S C -2.421 172.329 174.600 0.250 0.000 1.364 495 S CA -1.041 57.273 58.200 0.190 0.000 1.212 495 S CB 1.764 65.056 63.200 0.153 0.000 1.171 495 S HN 0.206 nan 8.310 nan 0.000 0.456 496 P HA -0.031 nan 4.420 nan 0.000 0.221 496 P C 1.130 178.772 177.300 0.570 0.000 1.150 496 P CA 0.700 64.056 63.100 0.428 0.000 0.800 496 P CB 0.132 31.993 31.700 0.267 0.000 0.787 497 L N -0.508 120.982 121.223 0.446 0.000 2.240 497 L HA -0.015 4.329 4.340 0.007 0.000 0.211 497 L C 2.761 179.866 176.870 0.391 0.000 1.106 497 L CA 1.177 56.325 54.840 0.514 0.000 0.793 497 L CB -0.708 41.627 42.059 0.460 0.000 0.927 497 L HN 0.013 nan 8.230 nan 0.000 0.446 498 E N 0.089 120.456 120.200 0.279 0.000 2.102 498 E HA -0.026 4.328 4.350 0.007 0.000 0.190 498 E C 0.099 176.804 176.600 0.175 0.000 0.971 498 E CA 0.164 56.673 56.400 0.181 0.000 0.821 498 E CB 0.535 30.318 29.700 0.139 0.000 0.777 498 E HN 0.336 nan 8.360 nan 0.000 0.460 499 N N 1.137 119.976 118.700 0.232 0.000 2.457 499 N HA 0.071 4.815 4.740 0.007 0.000 0.250 499 N C -0.809 174.858 175.510 0.261 0.000 0.982 499 N CA 0.062 53.248 53.050 0.226 0.000 0.941 499 N CB 1.660 40.284 38.487 0.228 0.000 1.120 499 N HN 0.026 nan 8.380 nan 0.000 0.505 500 T N -2.209 112.400 114.554 0.092 0.000 3.242 500 T HA 0.080 4.435 4.350 0.007 0.000 0.253 500 T C 0.983 175.539 174.700 -0.241 0.000 0.946 500 T CA -0.707 61.261 62.100 -0.221 0.000 0.944 500 T CB -0.457 68.310 68.868 -0.169 0.000 1.122 500 T HN 0.540 nan 8.240 nan 0.000 0.546 501 W N 1.814 123.011 121.300 -0.172 0.000 2.476 501 W HA 0.154 4.819 4.660 0.008 0.000 0.281 501 W C 1.816 178.293 176.519 -0.070 0.000 1.230 501 W CA 0.532 57.828 57.345 -0.081 0.000 1.287 501 W CB -0.132 29.354 29.460 0.043 0.000 1.108 501 W HN 0.592 nan 8.180 nan 0.000 0.567 502 W N 0.030 121.356 121.300 0.045 0.000 2.392 502 W HA 0.016 4.681 4.660 0.008 0.000 0.279 502 W C 1.692 178.085 176.519 -0.211 0.000 1.225 502 W CA 1.320 58.636 57.345 -0.049 0.000 1.233 502 W CB -1.627 27.976 29.460 0.239 0.000 1.122 502 W HN 0.042 nan 8.180 nan 0.000 0.561 503 A N 1.697 123.945 122.820 -0.954 0.000 2.015 503 A HA -0.175 4.149 4.320 0.007 0.000 0.219 503 A C 1.906 179.202 177.584 -0.480 0.000 1.163 503 A CA 1.574 53.080 52.037 -0.885 0.000 0.646 503 A CB -0.715 17.639 19.000 -1.077 0.000 0.806 503 A HN 0.451 nan 8.150 nan 0.000 0.448 504 E N 0.006 119.924 120.200 -0.470 0.000 2.358 504 E HA -0.052 4.302 4.350 0.007 0.000 0.195 504 E C 0.279 176.641 176.600 -0.398 0.000 1.010 504 E CA 0.064 56.239 56.400 -0.376 0.000 0.856 504 E CB 0.038 29.525 29.700 -0.354 0.000 0.795 504 E HN 0.573 nan 8.360 nan 0.000 0.504 505 Q N 0.781 120.281 119.800 -0.500 0.000 2.443 505 Q HA -0.032 4.312 4.340 0.007 0.000 0.232 505 Q C 0.601 176.420 176.000 -0.301 0.000 1.026 505 Q CA 0.204 55.698 55.803 -0.516 0.000 0.924 505 Q CB 0.606 28.855 28.738 -0.814 0.000 1.256 505 Q HN -0.010 nan 8.270 nan 0.000 0.519 506 D N 0.202 120.437 120.400 -0.274 0.000 2.123 506 D HA -0.106 4.538 4.640 0.007 0.000 0.196 506 D C -0.306 175.935 176.300 -0.098 0.000 0.992 506 D CA 1.149 55.048 54.000 -0.169 0.000 0.833 506 D CB 0.359 41.057 40.800 -0.169 0.000 0.954 506 D HN 0.284 nan 8.370 nan 0.000 0.455 507 S N 0.165 115.819 115.700 -0.078 0.000 2.406 507 S HA 0.270 4.744 4.470 0.007 0.000 0.224 507 S C -2.029 172.639 174.600 0.113 0.000 1.426 507 S CA -1.204 57.013 58.200 0.029 0.000 1.179 507 S CB 1.905 65.125 63.200 0.033 0.000 1.042 507 S HN 0.046 nan 8.310 nan 0.000 0.479 508 P HA -0.148 nan 4.420 nan 0.000 0.211 508 P C 0.995 178.483 177.300 0.313 0.000 1.181 508 P CA 1.503 64.702 63.100 0.166 0.000 0.929 508 P CB -0.002 31.670 31.700 -0.047 0.000 0.789 509 F N -1.430 118.717 119.950 0.330 0.000 2.234 509 F HA -0.149 4.381 4.527 0.006 0.000 0.299 509 F C 2.534 178.418 175.800 0.140 0.000 1.087 509 F CA 0.906 59.021 58.000 0.191 0.000 1.340 509 F CB -1.459 37.634 39.000 0.154 0.000 1.031 509 F HN -0.011 nan 8.300 nan 0.000 0.500 510 C N -0.743 118.758 119.300 0.335 0.000 2.435 510 C HA -0.157 4.307 4.460 0.007 0.000 0.279 510 C C 2.664 177.813 174.990 0.265 0.000 1.321 510 C CA 0.368 59.543 59.018 0.262 0.000 1.752 510 C CB -1.321 26.533 27.740 0.191 0.000 1.959 510 C HN 0.512 nan 8.230 nan 0.000 0.500 511 F N 0.959 120.973 119.950 0.107 0.000 2.259 511 F HA -0.001 4.531 4.527 0.008 0.000 0.298 511 F C 1.961 177.843 175.800 0.137 0.000 1.088 511 F CA 0.993 59.067 58.000 0.123 0.000 1.358 511 F CB -0.348 38.690 39.000 0.064 0.000 1.040 511 F HN 0.100 nan 8.300 nan 0.000 0.505 512 L N 0.635 121.870 121.223 0.019 0.000 2.093 512 L HA 0.015 4.360 4.340 0.007 0.000 0.208 512 L C 2.408 179.133 176.870 -0.241 0.000 1.085 512 L CA 1.953 56.540 54.840 -0.422 0.000 0.755 512 L CB -1.231 40.309 42.059 -0.866 0.000 0.904 512 L HN 0.116 nan 8.230 nan 0.000 0.435 513 A N -0.978 121.880 122.820 0.064 0.000 1.972 513 A HA -0.254 4.070 4.320 0.007 0.000 0.219 513 A C 2.258 179.957 177.584 0.192 0.000 1.169 513 A CA 1.762 53.925 52.037 0.210 0.000 0.635 513 A CB -1.100 18.045 19.000 0.242 0.000 0.810 513 A HN 0.606 nan 8.150 nan 0.000 0.446 514 F N -0.102 119.840 119.950 -0.013 0.000 2.206 514 F HA -0.158 4.374 4.527 0.007 0.000 0.298 514 F C 2.300 178.031 175.800 -0.114 0.000 1.090 514 F CA 1.547 59.531 58.000 -0.028 0.000 1.323 514 F CB -0.437 38.505 39.000 -0.097 0.000 1.028 514 F HN 0.254 nan 8.300 nan 0.000 0.492 515 C N 0.693 119.654 119.300 -0.565 0.000 2.432 515 C HA -0.177 4.287 4.460 0.007 0.000 0.277 515 C C 2.592 177.327 174.990 -0.426 0.000 1.249 515 C CA 1.002 59.623 59.018 -0.663 0.000 1.725 515 C CB -1.655 25.697 27.740 -0.646 0.000 2.028 515 C HN 0.535 nan 8.230 nan 0.000 0.477 516 F N 0.961 120.808 119.950 -0.171 0.000 2.234 516 F HA -0.067 4.464 4.527 0.007 0.000 0.299 516 F C 2.386 178.160 175.800 -0.043 0.000 1.087 516 F CA 1.668 59.620 58.000 -0.079 0.000 1.340 516 F CB -0.707 38.267 39.000 -0.043 0.000 1.031 516 F HN 0.182 nan 8.300 nan 0.000 0.500 517 E N -1.064 119.212 120.200 0.126 0.000 2.158 517 E HA -0.176 4.178 4.350 0.007 0.000 0.191 517 E C 1.995 178.620 176.600 0.042 0.000 0.982 517 E CA 0.718 57.214 56.400 0.159 0.000 0.823 517 E CB -0.468 29.352 29.700 0.200 0.000 0.766 517 E HN 0.456 nan 8.360 nan 0.000 0.468 518 Y N -0.040 120.065 120.300 -0.326 0.000 2.263 518 Y HA -0.032 4.523 4.550 0.008 0.000 0.292 518 Y C 1.945 177.717 175.900 -0.214 0.000 1.130 518 Y CA 1.486 59.378 58.100 -0.346 0.000 1.179 518 Y CB -0.282 37.679 38.460 -0.831 0.000 0.998 518 Y HN 0.107 nan 8.280 nan 0.000 0.532 519 A N -0.224 122.526 122.820 -0.117 0.000 1.968 519 A HA -0.020 4.305 4.320 0.007 0.000 0.217 519 A C 2.412 179.911 177.584 -0.142 0.000 1.169 519 A CA 1.366 53.336 52.037 -0.113 0.000 0.638 519 A CB -1.514 17.524 19.000 0.063 0.000 0.812 519 A HN 0.552 nan 8.150 nan 0.000 0.446 520 G N -0.513 108.130 108.800 -0.262 0.000 2.422 520 G HA2 -0.072 3.893 3.960 0.007 0.000 0.218 520 G HA3 -0.072 3.893 3.960 0.007 0.000 0.218 520 G C 1.421 175.680 174.900 -1.069 0.000 1.140 520 G CA 1.244 45.903 45.100 -0.736 0.000 0.775 520 G HN 0.318 nan 8.290 nan 0.000 0.545 521 V N 0.425 119.907 119.914 -0.721 0.000 2.453 521 V HA -0.130 3.994 4.120 0.007 0.000 0.247 521 V C 2.838 178.703 176.094 -0.382 0.000 1.048 521 V CA 1.488 63.544 62.300 -0.406 0.000 1.049 521 V CB -0.297 31.383 31.823 -0.239 0.000 0.672 521 V HN 0.285 nan 8.190 nan 0.000 0.457 522 Q N -0.442 119.079 119.800 -0.466 0.000 2.291 522 Q HA -0.158 4.187 4.340 0.007 0.000 0.205 522 Q C 1.971 177.690 176.000 -0.468 0.000 0.970 522 Q CA 1.590 57.112 55.803 -0.469 0.000 0.876 522 Q CB -0.222 28.207 28.738 -0.515 0.000 0.935 522 Q HN 0.811 nan 8.270 nan 0.000 0.455 523 H N -2.174 116.757 119.070 -0.232 0.000 2.516 523 H HA 0.083 4.644 4.556 0.007 0.000 0.284 523 H C 1.237 176.349 175.328 -0.360 0.000 0.999 523 H CA 0.699 56.572 56.048 -0.290 0.000 1.303 523 H CB 0.325 29.870 29.762 -0.361 0.000 1.452 523 H HN 0.320 nan 8.280 nan 0.000 0.530 524 H N -0.893 118.146 119.070 -0.051 0.000 2.553 524 H HA 0.341 4.901 4.556 0.007 0.000 0.276 524 H C 1.185 176.510 175.328 -0.005 0.000 0.979 524 H CA 0.522 56.577 56.048 0.012 0.000 1.268 524 H CB 0.961 30.795 29.762 0.121 0.000 1.450 524 H HN 0.479 nan 8.280 nan 0.000 0.527 525 G N 0.002 108.823 108.800 0.034 0.000 2.447 525 G HA2 -0.205 3.759 3.960 0.007 0.000 0.220 525 G HA3 -0.205 3.759 3.960 0.007 0.000 0.220 525 G C -0.079 174.803 174.900 -0.030 0.000 1.261 525 G CA -0.302 44.778 45.100 -0.033 0.000 1.000 525 G HN 0.160 nan 8.290 nan 0.000 0.515 526 L N 1.381 122.574 121.223 -0.050 0.000 2.627 526 L HA 0.217 4.561 4.340 0.007 0.000 0.232 526 L C 2.418 179.307 176.870 0.032 0.000 1.150 526 L CA 1.169 55.987 54.840 -0.036 0.000 0.917 526 L CB 0.021 42.045 42.059 -0.057 0.000 1.104 526 L HN 0.660 nan 8.230 nan 0.000 0.445 527 S N -2.218 113.519 115.700 0.061 0.000 2.511 527 S HA -0.041 4.433 4.470 0.007 0.000 0.214 527 S C 0.627 175.271 174.600 0.072 0.000 0.997 527 S CA -0.391 57.843 58.200 0.057 0.000 0.908 527 S CB -0.296 62.934 63.200 0.050 0.000 0.803 527 S HN 0.331 nan 8.310 nan 0.000 0.504 528 Y N 4.644 124.937 120.300 -0.012 0.000 2.802 528 Y HA 0.273 4.827 4.550 0.007 0.000 0.351 528 Y C 0.221 176.092 175.900 -0.049 0.000 1.237 528 Y CA -0.920 57.150 58.100 -0.050 0.000 1.599 528 Y CB -0.559 37.887 38.460 -0.023 0.000 1.214 528 Y HN 0.169 nan 8.280 nan 0.000 0.520 529 N N 5.559 123.982 118.700 -0.461 0.000 2.447 529 N HA 0.042 4.786 4.740 0.007 0.000 0.263 529 N C -1.208 173.928 175.510 -0.623 0.000 1.226 529 N CA 0.115 52.919 53.050 -0.409 0.000 0.906 529 N CB 0.330 38.651 38.487 -0.278 0.000 1.060 529 N HN 0.710 nan 8.380 nan 0.000 0.468 530 C N 2.732 121.838 119.300 -0.324 0.000 2.634 530 C HA 0.722 5.186 4.460 0.007 0.000 0.313 530 C C 0.652 175.568 174.990 -0.122 0.000 1.198 530 C CA -0.318 58.573 59.018 -0.212 0.000 1.605 530 C CB 0.613 28.341 27.740 -0.019 0.000 2.196 530 C HN 0.827 nan 8.230 nan 0.000 0.486 531 S N 3.484 119.127 115.700 -0.095 0.000 3.021 531 S HA 0.236 4.710 4.470 0.007 0.000 0.252 531 S C -0.569 173.984 174.600 -0.079 0.000 0.996 531 S CA -0.298 57.843 58.200 -0.098 0.000 1.084 531 S CB -0.146 62.986 63.200 -0.113 0.000 1.021 531 S HN 0.780 nan 8.310 nan 0.000 0.566 532 L N 4.220 125.419 121.223 -0.040 0.000 2.360 532 L HA 0.473 4.817 4.340 0.007 0.000 0.276 532 L C -2.522 174.269 176.870 -0.131 0.000 1.121 532 L CA -1.692 53.124 54.840 -0.040 0.000 0.845 532 L CB 0.264 42.336 42.059 0.021 0.000 1.143 532 L HN 0.025 nan 8.230 nan 0.000 0.452 533 P HA 0.089 nan 4.420 nan 0.000 0.271 533 P C -1.155 175.943 177.300 -0.335 0.000 1.226 533 P CA 0.095 63.091 63.100 -0.173 0.000 0.765 533 P CB 0.402 32.065 31.700 -0.061 0.000 0.835 534 L N 3.038 124.066 121.223 -0.325 0.000 2.272 534 L HA 0.485 4.830 4.340 0.007 0.000 0.284 534 L C 0.927 177.520 176.870 -0.462 0.000 1.045 534 L CA -0.931 53.624 54.840 -0.475 0.000 0.842 534 L CB 0.960 42.820 42.059 -0.332 0.000 1.224 534 L HN 0.331 nan 8.230 nan 0.000 0.430 535 A N 3.679 126.367 122.820 -0.222 0.000 2.440 535 A HA 0.591 4.915 4.320 0.007 0.000 0.251 535 A C -0.752 176.610 177.584 -0.371 0.000 1.089 535 A CA 0.160 52.104 52.037 -0.154 0.000 0.779 535 A CB -0.051 18.964 19.000 0.024 0.000 1.022 535 A HN 0.521 nan 8.150 nan 0.000 0.492 536 F N 1.888 122.004 119.950 0.277 0.000 2.513 536 F HA 0.302 4.833 4.527 0.007 0.000 0.358 536 F C -0.691 175.344 175.800 0.391 0.000 1.118 536 F CA -0.900 57.322 58.000 0.370 0.000 1.037 536 F CB 1.796 41.053 39.000 0.429 0.000 1.276 536 F HN 0.456 nan 8.300 nan 0.000 0.446 537 D N 1.653 122.339 120.400 0.478 0.000 2.168 537 D HA 0.378 5.022 4.640 0.007 0.000 0.246 537 D C 0.486 177.039 176.300 0.421 0.000 1.050 537 D CA -0.399 53.826 54.000 0.374 0.000 0.857 537 D CB 1.932 42.875 40.800 0.238 0.000 1.169 537 D HN 0.624 nan 8.370 nan 0.000 0.453 538 G N 0.595 109.602 108.800 0.344 0.000 2.398 538 G HA2 0.170 4.134 3.960 0.007 0.000 0.246 538 G HA3 0.170 4.134 3.960 0.007 0.000 0.246 538 G C 1.070 176.111 174.900 0.235 0.000 1.289 538 G CA -0.376 44.885 45.100 0.269 0.000 0.869 538 G HN 0.316 nan 8.290 nan 0.000 0.543 539 S N 0.446 116.264 115.700 0.197 0.000 2.368 539 S HA -0.196 4.279 4.470 0.007 0.000 0.226 539 S C 1.195 175.900 174.600 0.175 0.000 1.044 539 S CA 1.378 59.684 58.200 0.178 0.000 1.062 539 S CB -0.150 63.104 63.200 0.090 0.000 0.931 539 S HN 0.755 nan 8.310 nan 0.000 0.440 540 C N 2.151 121.520 119.300 0.115 0.000 3.430 540 C HA 0.526 4.990 4.460 0.007 0.000 0.268 540 C C 0.163 175.211 174.990 0.098 0.000 1.101 540 C CA -1.128 57.962 59.018 0.120 0.000 1.286 540 C CB -0.623 27.128 27.740 0.017 0.000 1.795 540 C HN 0.394 nan 8.230 nan 0.000 0.569 541 S N 2.412 118.198 115.700 0.143 0.000 2.589 541 S HA 0.453 4.927 4.470 0.007 0.000 0.306 541 S C 1.256 175.927 174.600 0.117 0.000 1.221 541 S CA 1.923 60.219 58.200 0.160 0.000 1.159 541 S CB -0.332 62.967 63.200 0.165 0.000 0.990 541 S HN 1.749 nan 8.310 nan 0.000 0.514 542 G N 4.909 113.755 108.800 0.076 0.000 4.020 542 G HA2 -0.170 3.794 3.960 0.007 0.000 0.195 542 G HA3 -0.170 3.794 3.960 0.007 0.000 0.195 542 G C 0.775 175.680 174.900 0.009 0.000 1.819 542 G CA 0.052 45.106 45.100 -0.076 0.000 1.109 542 G HN 0.605 nan 8.290 nan 0.000 0.385 543 I N 1.901 122.492 120.570 0.035 0.000 2.439 543 I HA -0.081 4.094 4.170 0.007 0.000 0.251 543 I C 2.841 178.961 176.117 0.006 0.000 1.139 543 I CA 1.394 62.732 61.300 0.062 0.000 1.438 543 I CB -0.282 37.700 38.000 -0.031 0.000 1.085 543 I HN 0.310 nan 8.210 nan 0.000 0.427 544 Q N 0.081 119.856 119.800 -0.041 0.000 2.050 544 Q HA -0.201 4.144 4.340 0.007 0.000 0.202 544 Q C 2.232 178.082 176.000 -0.249 0.000 0.980 544 Q CA 1.353 57.074 55.803 -0.137 0.000 0.840 544 Q CB -0.174 28.472 28.738 -0.153 0.000 0.898 544 Q HN 0.635 nan 8.270 nan 0.000 0.424 545 H N -0.871 118.050 119.070 -0.248 0.000 2.363 545 H HA -0.076 4.484 4.556 0.007 0.000 0.301 545 H C 1.962 177.085 175.328 -0.341 0.000 1.074 545 H CA 1.043 56.862 56.048 -0.380 0.000 1.354 545 H CB -0.050 29.451 29.762 -0.436 0.000 1.397 545 H HN 0.212 nan 8.280 nan 0.000 0.516 546 F N 1.260 121.167 119.950 -0.072 0.000 2.216 546 F HA -0.152 4.379 4.527 0.007 0.000 0.300 546 F C 2.731 178.449 175.800 -0.136 0.000 1.085 546 F CA 0.887 58.829 58.000 -0.098 0.000 1.326 546 F CB -0.325 38.616 39.000 -0.098 0.000 1.027 546 F HN -0.006 nan 8.300 nan 0.000 0.497 547 S N -0.585 115.127 115.700 0.020 0.000 2.428 547 S HA -0.007 4.467 4.470 0.007 0.000 0.230 547 S C 2.245 176.766 174.600 -0.133 0.000 1.014 547 S CA 0.756 58.919 58.200 -0.062 0.000 0.957 547 S CB -0.360 62.791 63.200 -0.081 0.000 0.784 547 S HN 0.341 nan 8.310 nan 0.000 0.499 548 A N 2.325 125.000 122.820 -0.241 0.000 1.903 548 A HA 0.084 4.408 4.320 0.007 0.000 0.213 548 A C 2.156 179.520 177.584 -0.366 0.000 1.185 548 A CA 1.056 52.868 52.037 -0.374 0.000 0.628 548 A CB -0.571 18.029 19.000 -0.666 0.000 0.830 548 A HN 0.614 nan 8.150 nan 0.000 0.446 549 M N -1.641 117.762 119.600 -0.329 0.000 2.319 549 M HA 0.206 4.690 4.480 0.007 0.000 0.265 549 M C 0.767 177.049 176.300 -0.031 0.000 1.068 549 M CA 1.592 56.815 55.300 -0.128 0.000 1.118 549 M CB -0.267 32.324 32.600 -0.016 0.000 1.395 549 M HN 0.155 nan 8.290 nan 0.000 0.435 550 L N 0.588 121.785 121.223 -0.042 0.000 3.066 550 L HA 0.373 4.717 4.340 0.007 0.000 0.265 550 L C -0.202 176.630 176.870 -0.063 0.000 1.232 550 L CA -0.552 54.259 54.840 -0.049 0.000 1.031 550 L CB 0.092 42.129 42.059 -0.037 0.000 1.379 550 L HN 0.298 nan 8.230 nan 0.000 0.563 551 R N 1.329 121.788 120.500 -0.069 0.000 3.038 551 R HA -0.232 4.113 4.340 0.007 0.000 0.242 551 R C 0.532 176.792 176.300 -0.067 0.000 0.866 551 R CA 0.223 56.283 56.100 -0.067 0.000 0.601 551 R CB -1.208 29.060 30.300 -0.053 0.000 1.107 551 R HN 0.321 nan 8.270 nan 0.000 0.492 552 D N -0.173 120.184 120.400 -0.072 0.000 1.802 552 D HA 0.018 4.662 4.640 0.007 0.000 0.271 552 D C 1.175 177.434 176.300 -0.068 0.000 1.069 552 D CA 0.975 54.933 54.000 -0.070 0.000 0.950 552 D CB 0.375 41.132 40.800 -0.071 0.000 1.260 552 D HN 0.501 nan 8.370 nan 0.000 0.448 553 E N -2.139 118.020 120.200 -0.069 0.000 3.258 553 E HA 0.108 4.463 4.350 0.007 0.000 0.283 553 E C -0.769 175.793 176.600 -0.064 0.000 1.171 553 E CA 0.454 56.816 56.400 -0.063 0.000 1.987 553 E CB 0.215 29.879 29.700 -0.060 0.000 2.022 553 E HN 0.053 nan 8.360 nan 0.000 0.978 554 V N 0.923 120.796 119.914 -0.069 0.000 5.957 554 V HA -0.180 3.944 4.120 0.007 0.000 0.225 554 V C 0.186 176.235 176.094 -0.076 0.000 0.661 554 V CA 0.935 63.191 62.300 -0.073 0.000 0.571 554 V CB -2.227 29.557 31.823 -0.065 0.000 0.361 554 V HN 0.418 nan 8.190 nan 0.000 0.495 555 G N 0.894 109.646 108.800 -0.081 0.000 2.348 555 G HA2 0.701 4.665 3.960 0.007 0.000 0.312 555 G HA3 0.701 4.665 3.960 0.007 0.000 0.312 555 G C 0.632 175.482 174.900 -0.083 0.000 1.126 555 G CA -0.022 45.026 45.100 -0.087 0.000 0.865 555 G HN 2.356 nan 8.290 nan 0.000 0.474 556 G N 2.035 110.784 108.800 -0.086 0.000 2.815 556 G HA2 -0.100 3.864 3.960 0.007 0.000 0.234 556 G HA3 -0.100 3.864 3.960 0.007 0.000 0.234 556 G C 0.943 175.800 174.900 -0.072 0.000 0.971 556 G CA 0.284 45.334 45.100 -0.082 0.000 1.124 556 G HN 1.053 nan 8.290 nan 0.000 0.435 557 R N 0.381 120.845 120.500 -0.060 0.000 3.713 557 R HA -0.429 3.915 4.340 0.007 0.000 0.478 557 R C 2.773 179.034 176.300 -0.066 0.000 0.252 557 R CA 3.383 59.450 56.100 -0.056 0.000 1.389 557 R CB -1.914 28.352 30.300 -0.058 0.000 0.850 557 R HN 1.873 nan 8.270 nan 0.000 0.566 558 A N 0.555 123.325 122.820 -0.084 0.000 1.971 558 A HA -0.216 4.108 4.320 0.007 0.000 0.222 558 A C 1.965 179.476 177.584 -0.123 0.000 1.182 558 A CA 3.180 55.151 52.037 -0.109 0.000 0.649 558 A CB -0.661 18.261 19.000 -0.131 0.000 0.818 558 A HN 0.656 nan 8.150 nan 0.000 0.458 559 V N -4.541 115.309 119.914 -0.106 0.000 3.170 559 V HA 0.281 4.405 4.120 0.007 0.000 0.354 559 V C 0.236 176.299 176.094 -0.052 0.000 1.350 559 V CA 0.082 62.326 62.300 -0.093 0.000 1.244 559 V CB -1.151 30.617 31.823 -0.092 0.000 1.222 559 V HN 0.524 nan 8.190 nan 0.000 0.478 560 N N -0.259 118.414 118.700 -0.044 0.000 2.741 560 N HA -0.211 4.533 4.740 0.007 0.000 0.251 560 N C 0.552 176.042 175.510 -0.032 0.000 1.112 560 N CA 1.184 54.221 53.050 -0.021 0.000 0.750 560 N CB -1.162 37.325 38.487 0.001 0.000 1.119 560 N HN 0.508 nan 8.380 nan 0.000 0.561 561 L N 0.014 121.206 121.223 -0.052 0.000 2.217 561 L HA 0.122 4.466 4.340 0.007 0.000 0.211 561 L C 1.233 178.070 176.870 -0.055 0.000 1.107 561 L CA 1.239 56.039 54.840 -0.067 0.000 0.783 561 L CB -0.004 42.001 42.059 -0.090 0.000 0.919 561 L HN 0.238 nan 8.230 nan 0.000 0.442 562 L N 1.023 122.222 121.223 -0.040 0.000 2.325 562 L HA 0.335 4.679 4.340 0.007 0.000 0.279 562 L C -2.042 174.823 176.870 -0.008 0.000 1.054 562 L CA -2.025 52.799 54.840 -0.027 0.000 0.804 562 L CB 1.128 43.172 42.059 -0.026 0.000 1.200 562 L HN -0.135 nan 8.230 nan 0.000 0.436 563 P HA 0.079 nan 4.420 nan 0.000 0.265 563 P C -1.023 176.295 177.300 0.031 0.000 1.222 563 P CA 0.059 63.167 63.100 0.013 0.000 0.767 563 P CB 0.888 32.595 31.700 0.010 0.000 0.801 564 S N 1.976 117.715 115.700 0.064 0.000 2.569 564 S HA 0.195 4.670 4.470 0.007 0.000 0.280 564 S C 0.985 175.697 174.600 0.186 0.000 1.111 564 S CA -0.614 57.645 58.200 0.098 0.000 0.887 564 S CB 2.226 65.479 63.200 0.088 0.000 1.095 564 S HN 0.487 nan 8.310 nan 0.000 0.476 565 E N 0.930 121.237 120.200 0.178 0.000 2.152 565 E HA -0.056 4.298 4.350 0.007 0.000 0.192 565 E C 0.633 177.472 176.600 0.398 0.000 0.983 565 E CA 0.773 57.334 56.400 0.268 0.000 0.818 565 E CB 0.252 30.041 29.700 0.149 0.000 0.758 565 E HN 0.530 nan 8.360 nan 0.000 0.467 566 T N -0.254 114.400 114.554 0.166 0.000 2.929 566 T HA 0.328 4.682 4.350 0.007 0.000 0.284 566 T C -0.552 174.082 174.700 -0.111 0.000 1.014 566 T CA -0.812 61.254 62.100 -0.057 0.000 1.051 566 T CB 1.416 70.246 68.868 -0.063 0.000 1.028 566 T HN -0.134 nan 8.240 nan 0.000 0.485 567 V N 6.075 125.747 119.914 -0.403 0.000 2.427 567 V HA 0.245 4.370 4.120 0.007 0.000 0.268 567 V C 0.335 176.344 176.094 -0.141 0.000 1.046 567 V CA -0.583 61.534 62.300 -0.305 0.000 0.970 567 V CB 1.071 32.610 31.823 -0.474 0.000 1.001 567 V HN 0.781 nan 8.190 nan 0.000 0.476 568 Q N 3.193 122.952 119.800 -0.068 0.000 2.324 568 Q HA 0.174 4.518 4.340 0.007 0.000 0.257 568 Q C -0.339 175.617 176.000 -0.075 0.000 1.080 568 Q CA -0.075 55.688 55.803 -0.066 0.000 0.907 568 Q CB 0.703 29.408 28.738 -0.054 0.000 1.274 568 Q HN 0.725 nan 8.270 nan 0.000 0.434 569 D N 3.128 123.483 120.400 -0.074 0.000 2.479 569 D HA 0.108 4.752 4.640 0.007 0.000 0.218 569 D C 0.829 177.059 176.300 -0.118 0.000 1.131 569 D CA -0.227 53.739 54.000 -0.055 0.000 0.916 569 D CB 0.178 40.976 40.800 -0.003 0.000 1.022 569 D HN 0.558 nan 8.370 nan 0.000 0.515 570 I N 3.259 123.671 120.570 -0.264 0.000 2.335 570 I HA -0.304 3.870 4.170 0.007 0.000 0.251 570 I C 0.763 176.694 176.117 -0.311 0.000 1.129 570 I CA 1.326 62.421 61.300 -0.342 0.000 1.402 570 I CB 0.088 37.815 38.000 -0.455 0.000 1.069 570 I HN 0.434 nan 8.210 nan 0.000 0.424 571 Y N 0.290 120.568 120.300 -0.036 0.000 2.373 571 Y HA 0.016 4.571 4.550 0.007 0.000 0.293 571 Y C 2.499 178.372 175.900 -0.045 0.000 1.129 571 Y CA 0.961 59.038 58.100 -0.038 0.000 1.226 571 Y CB -1.141 37.307 38.460 -0.020 0.000 1.000 571 Y HN 0.144 nan 8.280 nan 0.000 0.549 572 G N -0.082 108.765 108.800 0.078 0.000 2.494 572 G HA2 -0.082 3.882 3.960 0.007 0.000 0.216 572 G HA3 -0.082 3.882 3.960 0.007 0.000 0.216 572 G C 1.522 176.412 174.900 -0.017 0.000 1.140 572 G CA 0.460 45.575 45.100 0.026 0.000 0.801 572 G HN 0.191 nan 8.290 nan 0.000 0.536 573 I N 1.170 121.713 120.570 -0.046 0.000 2.353 573 I HA -0.060 4.114 4.170 0.007 0.000 0.248 573 I C 2.839 178.916 176.117 -0.067 0.000 1.119 573 I CA 0.656 61.918 61.300 -0.063 0.000 1.417 573 I CB -0.994 36.955 38.000 -0.086 0.000 1.078 573 I HN 0.012 nan 8.210 nan 0.000 0.421 574 V N 1.476 121.347 119.914 -0.072 0.000 2.307 574 V HA -0.191 3.933 4.120 0.007 0.000 0.245 574 V C 2.850 178.901 176.094 -0.072 0.000 1.045 574 V CA 1.687 63.938 62.300 -0.083 0.000 1.024 574 V CB -1.101 30.668 31.823 -0.090 0.000 0.651 574 V HN 0.430 nan 8.190 nan 0.000 0.449 575 A N -0.238 122.556 122.820 -0.044 0.000 1.978 575 A HA -0.276 4.048 4.320 0.007 0.000 0.220 575 A C 2.336 179.899 177.584 -0.036 0.000 1.170 575 A CA 2.184 54.198 52.037 -0.038 0.000 0.636 575 A CB -0.497 18.499 19.000 -0.007 0.000 0.810 575 A HN 0.543 nan 8.150 nan 0.000 0.448 576 K N -0.189 120.190 120.400 -0.034 0.000 2.097 576 K HA -0.156 4.168 4.320 0.007 0.000 0.206 576 K C 2.111 178.688 176.600 -0.039 0.000 1.049 576 K CA 1.750 58.018 56.287 -0.031 0.000 0.933 576 K CB -0.167 32.313 32.500 -0.033 0.000 0.717 576 K HN 0.439 nan 8.250 nan 0.000 0.442 577 K N 0.209 120.576 120.400 -0.054 0.000 2.167 577 K HA -0.040 4.284 4.320 0.007 0.000 0.203 577 K C 1.826 178.385 176.600 -0.068 0.000 1.052 577 K CA 0.646 56.895 56.287 -0.062 0.000 0.956 577 K CB 0.260 32.713 32.500 -0.078 0.000 0.735 577 K HN -0.019 nan 8.250 nan 0.000 0.451 578 V N 2.090 121.956 119.914 -0.080 0.000 2.307 578 V HA -0.248 3.876 4.120 0.007 0.000 0.245 578 V C 1.786 177.845 176.094 -0.059 0.000 1.045 578 V CA 1.763 64.002 62.300 -0.100 0.000 1.024 578 V CB -0.541 31.200 31.823 -0.135 0.000 0.651 578 V HN 0.398 nan 8.190 nan 0.000 0.449 579 N N -0.071 118.611 118.700 -0.030 0.000 2.289 579 N HA -0.190 4.554 4.740 0.007 0.000 0.184 579 N C 1.859 177.375 175.510 0.010 0.000 1.016 579 N CA 1.319 54.373 53.050 0.006 0.000 0.872 579 N CB -0.183 38.313 38.487 0.014 0.000 0.973 579 N HN 0.658 nan 8.380 nan 0.000 0.433 580 E N 0.536 120.731 120.200 -0.008 0.000 2.107 580 E HA -0.018 4.337 4.350 0.007 0.000 0.191 580 E C 1.756 178.358 176.600 0.002 0.000 0.982 580 E CA 0.578 56.975 56.400 -0.005 0.000 0.809 580 E CB 0.105 29.794 29.700 -0.018 0.000 0.756 580 E HN 0.308 nan 8.360 nan 0.000 0.459 581 I N 0.459 121.025 120.570 -0.008 0.000 2.584 581 I HA -0.150 4.024 4.170 0.007 0.000 0.255 581 I C 2.254 178.399 176.117 0.046 0.000 1.145 581 I CA 0.077 61.379 61.300 0.003 0.000 1.462 581 I CB -0.009 37.970 38.000 -0.034 0.000 1.102 581 I HN 0.175 nan 8.210 nan 0.000 0.433 582 L N 0.571 121.826 121.223 0.053 0.000 2.083 582 L HA -0.187 4.158 4.340 0.007 0.000 0.209 582 L C 2.502 179.443 176.870 0.118 0.000 1.083 582 L CA 1.857 56.773 54.840 0.126 0.000 0.752 582 L CB -0.596 41.536 42.059 0.120 0.000 0.899 582 L HN 0.202 nan 8.230 nan 0.000 0.433 583 Q N -0.883 118.962 119.800 0.075 0.000 2.172 583 Q HA -0.012 4.332 4.340 0.007 0.000 0.200 583 Q C 2.247 178.280 176.000 0.054 0.000 0.964 583 Q CA 1.281 57.120 55.803 0.060 0.000 0.855 583 Q CB -0.268 28.494 28.738 0.040 0.000 0.918 583 Q HN 0.637 nan 8.270 nan 0.000 0.444 584 A N 1.150 124.002 122.820 0.054 0.000 1.930 584 A HA -0.156 4.168 4.320 0.007 0.000 0.217 584 A C 1.417 179.037 177.584 0.061 0.000 1.175 584 A CA 1.620 53.685 52.037 0.048 0.000 0.627 584 A CB -0.191 18.833 19.000 0.039 0.000 0.815 584 A HN 0.183 nan 8.150 nan 0.000 0.443 585 D N -0.282 120.173 120.400 0.092 0.000 2.323 585 D HA 0.191 4.835 4.640 0.007 0.000 0.209 585 D C 2.003 178.345 176.300 0.070 0.000 0.973 585 D CA 0.945 55.007 54.000 0.103 0.000 0.874 585 D CB -0.147 40.767 40.800 0.189 0.000 0.930 585 D HN 0.408 nan 8.370 nan 0.000 0.521 586 A N 0.273 123.133 122.820 0.067 0.000 1.930 586 A HA -0.100 4.225 4.320 0.007 0.000 0.217 586 A C 2.063 179.663 177.584 0.028 0.000 1.175 586 A CA 0.974 53.038 52.037 0.045 0.000 0.627 586 A CB -0.272 18.758 19.000 0.050 0.000 0.815 586 A HN 0.246 nan 8.150 nan 0.000 0.443 587 I N -1.900 118.687 120.570 0.029 0.000 3.526 587 I HA 0.205 4.379 4.170 0.007 0.000 0.294 587 I C -0.057 176.072 176.117 0.020 0.000 1.229 587 I CA 0.351 61.663 61.300 0.020 0.000 1.408 587 I CB 0.291 38.302 38.000 0.018 0.000 1.127 587 I HN 0.237 nan 8.210 nan 0.000 0.439 588 N N 0.509 119.225 118.700 0.027 0.000 2.617 588 N HA 0.594 5.338 4.740 0.007 0.000 0.263 588 N C -0.511 175.020 175.510 0.035 0.000 1.074 588 N CA 0.176 53.242 53.050 0.026 0.000 0.841 588 N CB 1.023 39.524 38.487 0.025 0.000 1.221 588 N HN 0.303 nan 8.380 nan 0.000 0.529 589 G N 0.167 108.986 108.800 0.031 0.000 2.753 589 G HA2 0.373 4.337 3.960 0.007 0.000 0.303 589 G HA3 0.373 4.337 3.960 0.007 0.000 0.303 589 G C -1.264 173.652 174.900 0.027 0.000 1.242 589 G CA -0.491 44.632 45.100 0.039 0.000 0.810 589 G HN 0.247 nan 8.290 nan 0.000 0.515 590 T N 1.563 116.133 114.554 0.027 0.000 2.909 590 T HA 0.540 4.894 4.350 0.007 0.000 0.286 590 T C -0.771 173.930 174.700 0.002 0.000 1.002 590 T CA -0.301 61.810 62.100 0.018 0.000 1.074 590 T CB 1.401 70.285 68.868 0.028 0.000 0.984 590 T HN 0.342 nan 8.240 nan 0.000 0.495 591 D N 1.506 121.907 120.400 0.002 0.000 2.388 591 D HA 0.271 4.915 4.640 0.007 0.000 0.254 591 D C 0.159 176.455 176.300 -0.008 0.000 1.111 591 D CA -0.616 53.381 54.000 -0.006 0.000 0.993 591 D CB 0.460 41.258 40.800 -0.002 0.000 1.118 591 D HN 0.306 nan 8.370 nan 0.000 0.502 592 N N 0.983 119.676 118.700 -0.012 0.000 2.497 592 N HA 0.125 4.869 4.740 0.007 0.000 0.268 592 N C -0.084 175.423 175.510 -0.005 0.000 1.171 592 N CA 0.209 53.252 53.050 -0.012 0.000 0.948 592 N CB 0.724 39.201 38.487 -0.017 0.000 1.069 592 N HN 0.291 nan 8.380 nan 0.000 0.460 593 E N -0.203 119.996 120.200 -0.002 0.000 2.299 593 E HA 0.560 4.914 4.350 0.007 0.000 0.260 593 E C -0.726 175.875 176.600 0.001 0.000 0.944 593 E CA -1.120 55.281 56.400 0.002 0.000 0.815 593 E CB 1.934 31.638 29.700 0.006 0.000 1.252 593 E HN 0.331 nan 8.360 nan 0.000 0.418 594 V N -0.177 119.738 119.914 0.002 0.000 2.325 594 V HA 0.166 4.290 4.120 0.007 0.000 0.280 594 V C 0.740 176.836 176.094 0.004 0.000 1.016 594 V CA -0.748 61.553 62.300 0.002 0.000 0.818 594 V CB 0.454 32.278 31.823 0.001 0.000 1.019 594 V HN 0.671 nan 8.190 nan 0.000 0.434 595 V N 1.104 121.021 119.914 0.006 0.000 2.809 595 V HA -0.017 4.107 4.120 0.007 0.000 0.256 595 V C 1.472 177.569 176.094 0.006 0.000 1.080 595 V CA 1.250 63.554 62.300 0.007 0.000 1.102 595 V CB -1.245 30.584 31.823 0.010 0.000 0.705 595 V HN 1.479 nan 8.190 nan 0.000 0.475 596 T N 0.870 115.427 114.554 0.004 0.000 3.044 596 T HA -0.178 4.176 4.350 0.007 0.000 0.450 596 T C -0.231 174.472 174.700 0.004 0.000 0.774 596 T CA 0.755 62.857 62.100 0.003 0.000 2.290 596 T CB -1.587 67.282 68.868 0.003 0.000 1.648 596 T HN 0.754 nan 8.240 nan 0.000 0.569 597 V N 5.232 125.149 119.914 0.004 0.000 2.350 597 V HA 0.734 4.858 4.120 0.007 0.000 0.276 597 V C 0.726 176.821 176.094 0.003 0.000 1.028 597 V CA 0.032 62.334 62.300 0.004 0.000 0.860 597 V CB 1.612 33.439 31.823 0.006 0.000 0.990 597 V HN 0.832 nan 8.190 nan 0.000 0.453 606 S N 4.165 119.865 115.700 0.001 0.000 2.457 606 S HA 0.606 5.080 4.470 0.007 0.000 0.289 606 S C -0.617 173.984 174.600 0.001 0.000 1.163 606 S CA -0.503 57.698 58.200 0.000 0.000 1.078 606 S CB 0.859 64.059 63.200 0.000 0.000 0.987 606 S HN 0.736 nan 8.310 nan 0.000 0.482 607 E N 1.966 122.166 120.200 0.001 0.000 2.321 607 E HA 0.576 4.931 4.350 0.007 0.000 0.278 607 E C -1.412 175.189 176.600 0.001 0.000 0.902 607 E CA -1.227 55.174 56.400 0.001 0.000 0.758 607 E CB 1.529 31.229 29.700 0.001 0.000 1.213 607 E HN 0.536 nan 8.360 nan 0.000 0.426 608 K N 0.441 120.842 120.400 0.001 0.000 2.443 608 K HA 0.622 4.947 4.320 0.007 0.000 0.251 608 K C -1.169 175.431 176.600 0.000 0.000 0.972 608 K CA -1.070 55.217 56.287 0.000 0.000 0.833 608 K CB 2.145 34.645 32.500 0.001 0.000 1.317 608 K HN 0.267 nan 8.250 nan 0.000 0.441 609 V N 2.022 121.935 119.914 -0.002 0.000 2.406 609 V HA 0.213 4.337 4.120 0.007 0.000 0.272 609 V C -0.176 175.917 176.094 -0.002 0.000 1.043 609 V CA -0.533 61.765 62.300 -0.003 0.000 0.915 609 V CB 0.905 32.724 31.823 -0.008 0.000 0.988 609 V HN 0.727 nan 8.190 nan 0.000 0.466 610 K N 5.864 126.265 120.400 0.001 0.000 2.264 610 K HA 0.465 4.790 4.320 0.007 0.000 0.277 610 K C -0.567 176.031 176.600 -0.002 0.000 1.067 610 K CA -0.567 55.722 56.287 0.004 0.000 0.900 610 K CB 0.523 33.030 32.500 0.011 0.000 1.124 610 K HN 0.607 nan 8.250 nan 0.000 0.469 611 L N 3.440 124.657 121.223 -0.009 0.000 2.453 611 L HA 0.162 4.507 4.340 0.007 0.000 0.272 611 L C 1.161 178.012 176.870 -0.032 0.000 1.182 611 L CA -0.277 54.547 54.840 -0.028 0.000 0.858 611 L CB 0.644 42.678 42.059 -0.043 0.000 1.120 611 L HN 0.748 nan 8.230 nan 0.000 0.474 612 G N 0.324 109.101 108.800 -0.039 0.000 2.562 612 G HA2 0.265 4.229 3.960 0.007 0.000 0.275 612 G HA3 0.265 4.229 3.960 0.007 0.000 0.275 612 G C 1.069 175.917 174.900 -0.087 0.000 1.196 612 G CA 0.152 45.231 45.100 -0.034 0.000 0.908 612 G HN 0.773 nan 8.290 nan 0.000 0.524 613 T N -1.605 112.914 114.554 -0.058 0.000 2.849 613 T HA -0.131 4.223 4.350 0.007 0.000 0.270 613 T C 1.892 176.505 174.700 -0.145 0.000 1.066 613 T CA 1.510 63.540 62.100 -0.117 0.000 1.130 613 T CB -0.129 68.802 68.868 0.104 0.000 0.864 613 T HN 0.498 nan 8.240 nan 0.000 0.481 614 K N 1.184 121.542 120.400 -0.069 0.000 2.057 614 K HA 0.173 4.497 4.320 0.007 0.000 0.206 614 K C 2.861 179.413 176.600 -0.079 0.000 1.050 614 K CA 1.102 57.360 56.287 -0.048 0.000 0.935 614 K CB -0.422 32.064 32.500 -0.023 0.000 0.715 614 K HN 0.456 nan 8.250 nan 0.000 0.439 615 A N 1.469 124.228 122.820 -0.102 0.000 1.877 615 A HA -0.138 4.187 4.320 0.007 0.000 0.216 615 A C 2.011 179.508 177.584 -0.146 0.000 1.186 615 A CA 1.195 53.168 52.037 -0.107 0.000 0.620 615 A CB -0.430 18.515 19.000 -0.091 0.000 0.822 615 A HN 0.073 nan 8.150 nan 0.000 0.443 616 L N -0.532 120.547 121.223 -0.240 0.000 2.141 616 L HA -0.095 4.249 4.340 0.007 0.000 0.209 616 L C 2.970 179.790 176.870 -0.083 0.000 1.094 616 L CA 1.834 56.519 54.840 -0.258 0.000 0.763 616 L CB -1.911 39.810 42.059 -0.564 0.000 0.908 616 L HN 0.448 nan 8.230 nan 0.000 0.437 617 A N 0.220 122.956 122.820 -0.140 0.000 1.902 617 A HA -0.097 4.228 4.320 0.007 0.000 0.217 617 A C 2.461 180.119 177.584 0.124 0.000 1.181 617 A CA 1.708 53.817 52.037 0.119 0.000 0.623 617 A CB -1.077 17.982 19.000 0.099 0.000 0.818 617 A HN 0.417 nan 8.150 nan 0.000 0.443 618 G N -1.113 107.699 108.800 0.020 0.000 2.408 618 G HA2 -0.168 3.797 3.960 0.007 0.000 0.217 618 G HA3 -0.168 3.797 3.960 0.007 0.000 0.217 618 G C 1.593 176.466 174.900 -0.045 0.000 1.150 618 G CA 0.887 45.985 45.100 -0.004 0.000 0.776 618 G HN 0.634 nan 8.290 nan 0.000 0.542 619 Q N -0.886 118.838 119.800 -0.127 0.000 2.119 619 Q HA -0.100 4.244 4.340 0.007 0.000 0.201 619 Q C 2.294 178.084 176.000 -0.350 0.000 0.972 619 Q CA 1.127 56.725 55.803 -0.341 0.000 0.847 619 Q CB -0.155 28.276 28.738 -0.513 0.000 0.903 619 Q HN 0.747 nan 8.270 nan 0.000 0.433 620 W N 0.358 121.654 121.300 -0.008 0.000 2.476 620 W HA 0.001 4.696 4.660 0.058 0.000 0.281 620 W C 1.732 178.331 176.519 0.133 0.000 1.230 620 W CA 0.261 57.683 57.345 0.128 0.000 1.287 620 W CB 0.057 29.649 29.460 0.220 0.000 1.108 620 W HN 0.074 nan 8.180 nan 0.000 0.567 621 L N -0.122 121.270 121.223 0.280 0.000 2.217 621 L HA -0.051 4.293 4.340 0.007 0.000 0.211 621 L C 2.327 179.261 176.870 0.108 0.000 1.107 621 L CA 0.924 55.869 54.840 0.176 0.000 0.783 621 L CB -0.694 41.436 42.059 0.119 0.000 0.919 621 L HN -0.040 nan 8.230 nan 0.000 0.442 622 A N -2.040 120.816 122.820 0.060 0.000 2.251 622 A HA -0.094 4.230 4.320 0.007 0.000 0.209 622 A C 1.683 179.295 177.584 0.045 0.000 1.187 622 A CA 0.326 52.368 52.037 0.009 0.000 0.823 622 A CB -0.286 18.677 19.000 -0.061 0.000 0.846 622 A HN 0.504 nan 8.150 nan 0.000 0.486 623 Y N -0.761 119.523 120.300 -0.026 0.000 2.638 623 Y HA 0.394 4.974 4.550 0.051 0.000 0.275 623 Y C 0.917 176.883 175.900 0.111 0.000 1.122 623 Y CA 0.822 58.934 58.100 0.020 0.000 1.266 623 Y CB 0.705 39.175 38.460 0.016 0.000 1.317 623 Y HN 0.516 nan 8.280 nan 0.000 0.501 624 G N 1.753 110.675 108.800 0.204 0.000 3.081 624 G HA2 -0.138 3.826 3.960 0.007 0.000 0.603 624 G HA3 -0.138 3.826 3.960 0.007 0.000 0.603 624 G C -1.191 173.843 174.900 0.223 0.000 1.106 624 G CA -0.175 44.993 45.100 0.113 0.000 1.001 624 G HN 0.294 nan 8.290 nan 0.000 0.445 625 V N 3.741 123.816 119.914 0.269 0.000 2.370 625 V HA 0.543 4.668 4.120 0.007 0.000 0.257 625 V C 1.367 177.524 176.094 0.105 0.000 1.064 625 V CA 0.618 63.054 62.300 0.226 0.000 0.975 625 V CB 0.097 31.995 31.823 0.124 0.000 1.067 625 V HN 1.152 nan 8.190 nan 0.000 0.485 626 T N 2.735 117.348 114.554 0.097 0.000 2.898 626 T HA 0.349 4.703 4.350 0.007 0.000 0.283 626 T C 1.349 176.074 174.700 0.041 0.000 1.059 626 T CA -0.362 61.767 62.100 0.049 0.000 0.958 626 T CB 0.817 69.703 68.868 0.029 0.000 1.594 626 T HN 0.571 nan 8.240 nan 0.000 0.598 627 R N 0.477 120.998 120.500 0.034 0.000 2.148 627 R HA -0.022 4.322 4.340 0.007 0.000 0.227 627 R C 2.273 178.581 176.300 0.014 0.000 1.103 627 R CA 1.590 57.720 56.100 0.051 0.000 0.983 627 R CB -0.937 29.406 30.300 0.072 0.000 0.874 627 R HN 0.626 nan 8.270 nan 0.000 0.451 628 S N 0.852 116.553 115.700 0.003 0.000 2.428 628 S HA -0.034 4.440 4.470 0.007 0.000 0.230 628 S C 2.027 176.638 174.600 0.017 0.000 1.014 628 S CA 0.851 59.042 58.200 -0.015 0.000 0.957 628 S CB -0.234 62.972 63.200 0.009 0.000 0.784 628 S HN 0.158 nan 8.310 nan 0.000 0.499 629 V N 2.838 122.784 119.914 0.054 0.000 2.453 629 V HA -0.089 4.035 4.120 0.007 0.000 0.247 629 V C 2.898 178.985 176.094 -0.012 0.000 1.048 629 V CA 1.932 64.263 62.300 0.052 0.000 1.049 629 V CB -1.341 30.520 31.823 0.064 0.000 0.672 629 V HN 0.863 nan 8.190 nan 0.000 0.457 630 T N -3.547 110.997 114.554 -0.016 0.000 3.086 630 T HA 0.069 4.423 4.350 0.007 0.000 0.250 630 T C 1.722 176.449 174.700 0.046 0.000 1.074 630 T CA 0.053 62.142 62.100 -0.019 0.000 0.988 630 T CB 0.145 68.995 68.868 -0.030 0.000 0.988 630 T HN 0.187 nan 8.240 nan 0.000 0.530 631 K N 2.213 122.603 120.400 -0.017 0.000 2.000 631 K HA -0.143 4.181 4.320 0.007 0.000 0.218 631 K C 2.381 178.942 176.600 -0.065 0.000 1.053 631 K CA 1.600 57.765 56.287 -0.204 0.000 0.946 631 K CB -0.391 31.902 32.500 -0.345 0.000 0.723 631 K HN 0.382 nan 8.250 nan 0.000 0.446 632 R N 0.069 120.569 120.500 0.000 0.000 2.115 632 R HA -0.009 4.335 4.340 0.007 0.000 0.226 632 R C 2.317 178.732 176.300 0.192 0.000 1.100 632 R CA 1.204 57.359 56.100 0.092 0.000 0.980 632 R CB 0.024 30.373 30.300 0.081 0.000 0.875 632 R HN 0.156 nan 8.270 nan 0.000 0.445 633 S N -0.060 115.738 115.700 0.165 0.000 2.368 633 S HA -0.098 4.376 4.470 0.007 0.000 0.225 633 S C 1.867 176.557 174.600 0.149 0.000 1.030 633 S CA 1.260 59.575 58.200 0.193 0.000 0.999 633 S CB -0.032 63.123 63.200 -0.075 0.000 0.844 633 S HN 0.124 nan 8.310 nan 0.000 0.459 634 V N 2.041 122.025 119.914 0.115 0.000 2.427 634 V HA -0.141 3.983 4.120 0.007 0.000 0.248 634 V C 2.169 178.351 176.094 0.145 0.000 1.051 634 V CA 1.503 63.860 62.300 0.095 0.000 1.048 634 V CB -0.662 31.230 31.823 0.116 0.000 0.666 634 V HN 0.470 nan 8.190 nan 0.000 0.456 635 M N 0.622 120.368 119.600 0.243 0.000 2.098 635 M HA -0.137 4.347 4.480 0.007 0.000 0.262 635 M C 2.523 178.954 176.300 0.218 0.000 1.072 635 M CA 2.281 57.714 55.300 0.221 0.000 1.133 635 M CB -0.983 31.812 32.600 0.325 0.000 1.344 635 M HN 0.579 nan 8.290 nan 0.000 0.414 636 T N 0.039 114.818 114.554 0.375 0.000 2.803 636 T HA -0.167 4.187 4.350 0.007 0.000 0.269 636 T C 1.683 176.591 174.700 0.348 0.000 1.052 636 T CA 1.216 63.585 62.100 0.448 0.000 1.136 636 T CB -0.694 68.378 68.868 0.340 0.000 0.864 636 T HN 0.258 nan 8.240 nan 0.000 0.467 637 L N 1.858 123.300 121.223 0.365 0.000 2.046 637 L HA 0.230 4.574 4.340 0.007 0.000 0.208 637 L C 2.705 179.624 176.870 0.082 0.000 1.077 637 L CA 1.761 56.787 54.840 0.309 0.000 0.747 637 L CB -1.030 41.222 42.059 0.322 0.000 0.896 637 L HN 0.363 nan 8.230 nan 0.000 0.432 638 A N -2.096 120.685 122.820 -0.064 0.000 2.248 638 A HA -0.111 4.213 4.320 0.007 0.000 0.210 638 A C 0.593 178.031 177.584 -0.243 0.000 1.174 638 A CA 0.830 52.745 52.037 -0.204 0.000 0.750 638 A CB -0.896 17.942 19.000 -0.270 0.000 0.780 638 A HN 0.616 nan 8.150 nan 0.000 0.478 639 Y N -1.023 119.369 120.300 0.154 0.000 2.716 639 Y HA 0.421 4.974 4.550 0.005 0.000 0.260 639 Y C 1.311 177.281 175.900 0.117 0.000 1.141 639 Y CA -0.784 57.394 58.100 0.131 0.000 1.168 639 Y CB -0.116 38.406 38.460 0.104 0.000 1.189 639 Y HN 0.335 nan 8.280 nan 0.000 0.549 640 G N 1.041 109.953 108.800 0.188 0.000 2.353 640 G HA2 -0.235 3.729 3.960 0.007 0.000 0.294 640 G HA3 -0.235 3.729 3.960 0.007 0.000 0.294 640 G C 0.079 175.049 174.900 0.116 0.000 1.077 640 G CA 0.503 45.685 45.100 0.136 0.000 1.098 640 G HN 0.400 nan 8.290 nan 0.000 0.511 641 S N -0.769 114.994 115.700 0.104 0.000 2.690 641 S HA 0.861 5.335 4.470 0.007 0.000 0.291 641 S C 0.246 174.819 174.600 -0.045 0.000 1.138 641 S CA -0.576 57.596 58.200 -0.047 0.000 1.013 641 S CB 1.170 64.246 63.200 -0.206 0.000 1.053 641 S HN 0.390 nan 8.310 nan 0.000 0.539 642 K N 1.290 121.545 120.400 -0.241 0.000 2.352 642 K HA 0.317 4.641 4.320 0.007 0.000 0.240 642 K C 1.000 177.400 176.600 -0.333 0.000 1.017 642 K CA -0.738 55.456 56.287 -0.156 0.000 0.851 642 K CB 0.786 33.213 32.500 -0.122 0.000 1.261 642 K HN 0.853 nan 8.250 nan 0.000 0.451 643 E N 0.608 120.645 120.200 -0.272 0.000 2.070 643 E HA -0.213 4.141 4.350 0.007 0.000 0.197 643 E C 1.470 178.077 176.600 0.012 0.000 1.004 643 E CA 1.526 57.891 56.400 -0.059 0.000 0.805 643 E CB -0.070 29.338 29.700 -0.487 0.000 0.744 643 E HN 0.477 nan 8.360 nan 0.000 0.451 644 F N 0.511 120.359 119.950 -0.170 0.000 2.171 644 F HA -0.076 4.468 4.527 0.027 0.000 0.300 644 F C 2.036 177.772 175.800 -0.105 0.000 1.090 644 F CA 1.686 59.620 58.000 -0.109 0.000 1.293 644 F CB -0.368 38.564 39.000 -0.112 0.000 1.013 644 F HN 0.095 nan 8.300 nan 0.000 0.486 645 G N -0.677 108.122 108.800 -0.002 0.000 2.422 645 G HA2 -0.260 3.705 3.960 0.007 0.000 0.218 645 G HA3 -0.260 3.705 3.960 0.007 0.000 0.218 645 G C 1.431 176.238 174.900 -0.156 0.000 1.140 645 G CA 0.750 45.779 45.100 -0.119 0.000 0.775 645 G HN 0.348 nan 8.290 nan 0.000 0.545 646 F N 0.615 120.580 119.950 0.026 0.000 2.186 646 F HA 0.116 4.643 4.527 -0.000 0.000 0.299 646 F C 2.608 178.378 175.800 -0.049 0.000 1.090 646 F CA 0.927 58.932 58.000 0.009 0.000 1.307 646 F CB -0.438 38.582 39.000 0.032 0.000 1.019 646 F HN 0.047 nan 8.300 nan 0.000 0.489 647 R N 0.729 121.255 120.500 0.042 0.000 2.091 647 R HA -0.220 4.124 4.340 0.007 0.000 0.238 647 R C 2.021 178.272 176.300 -0.082 0.000 1.136 647 R CA 1.969 58.020 56.100 -0.081 0.000 0.959 647 R CB -0.344 29.782 30.300 -0.290 0.000 0.856 647 R HN 0.367 nan 8.270 nan 0.000 0.437 648 Q N -0.231 119.513 119.800 -0.093 0.000 2.167 648 Q HA -0.185 4.159 4.340 0.007 0.000 0.202 648 Q C 2.238 178.236 176.000 -0.002 0.000 0.970 648 Q CA 1.589 57.362 55.803 -0.050 0.000 0.855 648 Q CB 0.023 28.750 28.738 -0.020 0.000 0.911 648 Q HN 0.548 nan 8.270 nan 0.000 0.438 649 Q N -0.052 119.770 119.800 0.037 0.000 2.016 649 Q HA -0.117 4.227 4.340 0.007 0.000 0.200 649 Q C 2.287 178.316 176.000 0.049 0.000 0.978 649 Q CA 1.545 57.387 55.803 0.065 0.000 0.833 649 Q CB -0.043 28.775 28.738 0.134 0.000 0.895 649 Q HN 0.202 nan 8.270 nan 0.000 0.427 650 V N 1.200 121.146 119.914 0.054 0.000 2.407 650 V HA -0.243 3.881 4.120 0.007 0.000 0.248 650 V C 2.196 178.293 176.094 0.005 0.000 1.055 650 V CA 1.350 63.673 62.300 0.038 0.000 1.049 650 V CB -0.560 31.282 31.823 0.032 0.000 0.662 650 V HN 0.285 nan 8.190 nan 0.000 0.455 651 L N 0.195 121.404 121.223 -0.023 0.000 2.056 651 L HA -0.138 4.206 4.340 0.007 0.000 0.207 651 L C 2.367 179.199 176.870 -0.063 0.000 1.078 651 L CA 1.950 56.746 54.840 -0.073 0.000 0.749 651 L CB -0.532 41.484 42.059 -0.072 0.000 0.901 651 L HN 0.352 nan 8.230 nan 0.000 0.433 652 E N -0.941 119.243 120.200 -0.027 0.000 2.112 652 E HA -0.139 4.215 4.350 0.007 0.000 0.190 652 E C 1.429 178.027 176.600 -0.004 0.000 0.979 652 E CA 1.128 57.519 56.400 -0.014 0.000 0.814 652 E CB 0.025 29.725 29.700 0.001 0.000 0.762 652 E HN 0.551 nan 8.360 nan 0.000 0.460 653 D N -0.690 119.715 120.400 0.009 0.000 2.301 653 D HA 0.003 4.647 4.640 0.007 0.000 0.206 653 D C 1.357 177.681 176.300 0.039 0.000 0.979 653 D CA 0.939 54.955 54.000 0.026 0.000 0.874 653 D CB 0.430 41.251 40.800 0.035 0.000 0.968 653 D HN 0.069 nan 8.370 nan 0.000 0.510 654 T N -0.110 114.457 114.554 0.022 0.000 3.221 654 T HA 0.153 4.508 4.350 0.007 0.000 0.250 654 T C 2.032 176.655 174.700 -0.130 0.000 0.988 654 T CA -0.192 61.932 62.100 0.039 0.000 1.163 654 T CB 0.305 69.257 68.868 0.139 0.000 1.098 654 T HN -0.118 nan 8.240 nan 0.000 0.422 655 I N 1.850 122.245 120.570 -0.291 0.000 2.090 655 I HA -0.135 4.039 4.170 0.007 0.000 0.236 655 I C 2.718 178.654 176.117 -0.302 0.000 1.064 655 I CA 1.477 62.416 61.300 -0.601 0.000 1.324 655 I CB -0.464 37.109 38.000 -0.711 0.000 1.044 655 I HN 0.135 nan 8.210 nan 0.000 0.399 656 Q N 1.006 120.702 119.800 -0.174 0.000 2.077 656 Q HA -0.164 4.181 4.340 0.007 0.000 0.206 656 Q C -0.715 175.264 176.000 -0.036 0.000 0.989 656 Q CA 2.284 58.035 55.803 -0.087 0.000 0.853 656 Q CB -1.431 27.273 28.738 -0.057 0.000 0.907 656 Q HN 0.331 nan 8.270 nan 0.000 0.418 657 P HA -0.094 nan 4.420 nan 0.000 0.220 657 P C 0.481 177.815 177.300 0.056 0.000 1.148 657 P CA 1.748 64.864 63.100 0.025 0.000 0.803 657 P CB -0.129 31.594 31.700 0.039 0.000 0.782 658 A N -0.272 122.585 122.820 0.063 0.000 1.897 658 A HA -0.108 4.216 4.320 0.007 0.000 0.215 658 A C 2.158 179.810 177.584 0.113 0.000 1.181 658 A CA 1.180 53.304 52.037 0.145 0.000 0.620 658 A CB -1.412 17.704 19.000 0.194 0.000 0.821 658 A HN 0.072 nan 8.150 nan 0.000 0.443 659 I N 0.587 121.195 120.570 0.063 0.000 2.252 659 I HA -0.192 3.982 4.170 0.007 0.000 0.245 659 I C 1.563 177.705 176.117 0.042 0.000 1.102 659 I CA 1.496 62.828 61.300 0.053 0.000 1.385 659 I CB -0.340 37.675 38.000 0.024 0.000 1.064 659 I HN 0.213 nan 8.210 nan 0.000 0.414 660 D N -0.738 119.682 120.400 0.034 0.000 2.178 660 D HA -0.136 4.508 4.640 0.007 0.000 0.202 660 D C 2.260 178.584 176.300 0.041 0.000 0.974 660 D CA 1.173 55.193 54.000 0.032 0.000 0.841 660 D CB -0.194 40.622 40.800 0.026 0.000 0.953 660 D HN 0.171 nan 8.370 nan 0.000 0.478 661 S N -1.074 114.659 115.700 0.054 0.000 2.593 661 S HA 0.220 4.695 4.470 0.007 0.000 0.217 661 S C 1.381 176.015 174.600 0.056 0.000 0.966 661 S CA 0.827 59.062 58.200 0.057 0.000 0.914 661 S CB -0.191 63.051 63.200 0.070 0.000 0.776 661 S HN 0.362 nan 8.310 nan 0.000 0.523 662 G N 1.271 110.105 108.800 0.057 0.000 2.176 662 G HA2 -0.238 3.727 3.960 0.007 0.000 0.252 662 G HA3 -0.238 3.727 3.960 0.007 0.000 0.252 662 G C 0.399 175.334 174.900 0.058 0.000 1.024 662 G CA 0.616 45.746 45.100 0.049 0.000 0.755 662 G HN 0.495 nan 8.290 nan 0.000 0.507 663 K N -0.148 120.307 120.400 0.091 0.000 2.536 663 K HA 0.474 4.799 4.320 0.007 0.000 0.203 663 K C 1.427 178.138 176.600 0.184 0.000 1.063 663 K CA 0.645 57.004 56.287 0.119 0.000 1.063 663 K CB 0.285 32.865 32.500 0.132 0.000 0.843 663 K HN 0.470 nan 8.250 nan 0.000 0.521 664 G N 0.468 109.355 108.800 0.145 0.000 4.144 664 G HA2 0.160 4.124 3.960 0.007 0.000 0.297 664 G HA3 0.160 4.124 3.960 0.007 0.000 0.297 664 G C 0.167 175.111 174.900 0.074 0.000 1.090 664 G CA -0.255 44.956 45.100 0.186 0.000 0.870 664 G HN 0.138 nan 8.290 nan 0.000 0.532 665 L N -0.145 121.071 121.223 -0.012 0.000 2.551 665 L HA 0.161 4.505 4.340 0.007 0.000 0.228 665 L C 2.508 179.292 176.870 -0.143 0.000 1.153 665 L CA 0.894 55.705 54.840 -0.049 0.000 0.851 665 L CB -0.344 41.695 42.059 -0.034 0.000 0.959 665 L HN 0.235 nan 8.230 nan 0.000 0.451 666 M N -1.511 117.903 119.600 -0.310 0.000 2.123 666 M HA -0.045 4.439 4.480 0.007 0.000 0.263 666 M C 0.481 176.481 176.300 -0.500 0.000 1.069 666 M CA 1.076 56.080 55.300 -0.494 0.000 1.133 666 M CB -0.652 31.464 32.600 -0.806 0.000 1.356 666 M HN -0.096 nan 8.290 nan 0.000 0.415 667 F N 1.988 121.785 119.950 -0.254 0.000 2.604 667 F HA 0.105 4.572 4.527 -0.100 0.000 0.337 667 F C 1.735 177.440 175.800 -0.159 0.000 1.294 667 F CA -0.080 57.763 58.000 -0.261 0.000 1.066 667 F CB -1.402 37.406 39.000 -0.319 0.000 1.391 667 F HN 0.262 nan 8.300 nan 0.000 0.652 668 T N -1.627 112.915 114.554 -0.020 0.000 2.904 668 T HA -0.141 4.213 4.350 0.007 0.000 0.267 668 T C 0.946 175.647 174.700 0.003 0.000 1.059 668 T CA 0.722 62.811 62.100 -0.017 0.000 1.137 668 T CB -0.065 68.779 68.868 -0.041 0.000 0.879 668 T HN 0.339 nan 8.240 nan 0.000 0.467 669 Q N 1.895 121.702 119.800 0.012 0.000 2.607 669 Q HA 0.354 4.698 4.340 0.007 0.000 0.247 669 Q C -2.006 174.010 176.000 0.025 0.000 1.033 669 Q CA -2.617 53.194 55.803 0.013 0.000 0.769 669 Q CB 1.934 30.677 28.738 0.007 0.000 1.169 669 Q HN 0.141 nan 8.270 nan 0.000 0.508 670 P HA -0.166 nan 4.420 nan 0.000 0.215 670 P C 0.015 177.279 177.300 -0.059 0.000 1.153 670 P CA 1.412 64.479 63.100 -0.056 0.000 0.853 670 P CB 0.523 32.175 31.700 -0.080 0.000 0.788 671 N N -0.652 118.028 118.700 -0.032 0.000 2.354 671 N HA -0.090 4.655 4.740 0.007 0.000 0.179 671 N C 2.017 177.528 175.510 0.002 0.000 1.021 671 N CA 0.608 53.639 53.050 -0.031 0.000 0.887 671 N CB -0.628 37.836 38.487 -0.037 0.000 0.974 671 N HN 0.281 nan 8.380 nan 0.000 0.437 672 Q N 0.016 119.834 119.800 0.030 0.000 2.245 672 Q HA 0.111 4.455 4.340 0.007 0.000 0.201 672 Q C 1.735 177.822 176.000 0.145 0.000 0.955 672 Q CA 0.917 56.759 55.803 0.066 0.000 0.870 672 Q CB 0.041 28.807 28.738 0.048 0.000 0.945 672 Q HN 0.412 nan 8.270 nan 0.000 0.461 673 A N 0.317 123.232 122.820 0.158 0.000 1.968 673 A HA 0.020 4.345 4.320 0.007 0.000 0.217 673 A C 2.150 180.014 177.584 0.467 0.000 1.169 673 A CA 1.251 53.483 52.037 0.325 0.000 0.638 673 A CB -0.548 18.592 19.000 0.233 0.000 0.812 673 A HN 0.475 nan 8.150 nan 0.000 0.446 674 A N -0.486 122.465 122.820 0.218 0.000 1.968 674 A HA 0.219 4.543 4.320 0.007 0.000 0.217 674 A C 2.297 179.947 177.584 0.109 0.000 1.169 674 A CA 1.621 53.755 52.037 0.162 0.000 0.638 674 A CB -1.082 17.927 19.000 0.015 0.000 0.812 674 A HN 0.628 nan 8.150 nan 0.000 0.446 675 G N -1.689 107.164 108.800 0.088 0.000 2.403 675 G HA2 -0.209 3.755 3.960 0.007 0.000 0.216 675 G HA3 -0.209 3.755 3.960 0.007 0.000 0.216 675 G C 1.517 176.481 174.900 0.106 0.000 1.154 675 G CA 1.156 46.282 45.100 0.043 0.000 0.784 675 G HN 0.576 nan 8.290 nan 0.000 0.538 676 Y N 0.586 120.936 120.300 0.084 0.000 2.200 676 Y HA -0.066 4.483 4.550 -0.003 0.000 0.290 676 Y C 2.617 178.526 175.900 0.014 0.000 1.137 676 Y CA 2.079 60.231 58.100 0.088 0.000 1.163 676 Y CB -0.116 38.450 38.460 0.178 0.000 0.988 676 Y HN 0.206 nan 8.280 nan 0.000 0.518 677 M N 0.698 120.270 119.600 -0.047 0.000 2.175 677 M HA 0.000 4.484 4.480 0.007 0.000 0.264 677 M C 2.158 178.293 176.300 -0.275 0.000 1.063 677 M CA 1.897 56.970 55.300 -0.378 0.000 1.119 677 M CB -0.927 31.334 32.600 -0.565 0.000 1.377 677 M HN 0.300 nan 8.290 nan 0.000 0.415 678 A N -0.385 122.367 122.820 -0.113 0.000 1.972 678 A HA -0.196 4.128 4.320 0.007 0.000 0.219 678 A C 2.272 179.842 177.584 -0.023 0.000 1.169 678 A CA 1.922 53.943 52.037 -0.026 0.000 0.635 678 A CB -0.759 18.281 19.000 0.066 0.000 0.810 678 A HN 0.605 nan 8.150 nan 0.000 0.446 679 K N -0.282 120.069 120.400 -0.081 0.000 2.103 679 K HA 0.024 4.348 4.320 0.007 0.000 0.204 679 K C 1.807 178.358 176.600 -0.083 0.000 1.052 679 K CA 0.946 57.202 56.287 -0.052 0.000 0.945 679 K CB -0.244 32.206 32.500 -0.083 0.000 0.722 679 K HN 0.491 nan 8.250 nan 0.000 0.443 680 L N 0.790 121.854 121.223 -0.266 0.000 2.056 680 L HA -0.166 4.178 4.340 0.007 0.000 0.207 680 L C 2.353 179.104 176.870 -0.198 0.000 1.078 680 L CA 1.052 55.727 54.840 -0.276 0.000 0.749 680 L CB -0.397 41.409 42.059 -0.421 0.000 0.901 680 L HN 0.196 nan 8.230 nan 0.000 0.433 681 I N -1.040 119.396 120.570 -0.224 0.000 2.163 681 I HA -0.337 3.837 4.170 0.007 0.000 0.240 681 I C 2.500 178.484 176.117 -0.222 0.000 1.081 681 I CA 1.449 62.591 61.300 -0.264 0.000 1.353 681 I CB -0.574 37.194 38.000 -0.388 0.000 1.054 681 I HN 0.499 nan 8.210 nan 0.000 0.407 682 W N 2.700 123.804 121.300 -0.327 0.000 2.305 682 W HA -0.298 4.366 4.660 0.007 0.000 0.308 682 W C 2.243 178.687 176.519 -0.125 0.000 1.226 682 W CA 2.370 59.605 57.345 -0.184 0.000 1.253 682 W CB -0.163 29.280 29.460 -0.029 0.000 1.146 682 W HN 0.319 nan 8.180 nan 0.000 0.507 683 E N 0.236 120.403 120.200 -0.056 0.000 2.051 683 E HA -0.190 4.164 4.350 0.007 0.000 0.189 683 E C 2.476 178.963 176.600 -0.188 0.000 0.979 683 E CA 2.015 58.338 56.400 -0.129 0.000 0.803 683 E CB -0.328 29.357 29.700 -0.024 0.000 0.761 683 E HN 0.207 nan 8.360 nan 0.000 0.451 684 S N 0.209 115.808 115.700 -0.168 0.000 2.368 684 S HA -0.107 4.367 4.470 0.007 0.000 0.224 684 S C 2.134 176.623 174.600 -0.186 0.000 1.029 684 S CA 1.038 59.141 58.200 -0.160 0.000 0.988 684 S CB -0.320 62.793 63.200 -0.145 0.000 0.838 684 S HN 0.201 nan 8.310 nan 0.000 0.462 685 V N 1.415 121.193 119.914 -0.227 0.000 2.667 685 V HA -0.053 4.071 4.120 0.007 0.000 0.252 685 V C 2.673 178.611 176.094 -0.259 0.000 1.065 685 V CA 1.847 64.008 62.300 -0.231 0.000 1.083 685 V CB -0.512 31.164 31.823 -0.245 0.000 0.692 685 V HN 0.668 nan 8.190 nan 0.000 0.468 686 S N 0.299 115.798 115.700 -0.335 0.000 2.370 686 S HA -0.151 4.323 4.470 0.007 0.000 0.226 686 S C 1.734 176.185 174.600 -0.249 0.000 1.033 686 S CA 1.991 59.972 58.200 -0.365 0.000 1.011 686 S CB -0.360 62.550 63.200 -0.484 0.000 0.852 686 S HN 0.750 nan 8.310 nan 0.000 0.457 687 V N -0.351 119.440 119.914 -0.204 0.000 3.630 687 V HA 0.220 4.344 4.120 0.007 0.000 0.273 687 V C 1.408 177.418 176.094 -0.141 0.000 1.248 687 V CA 1.146 63.353 62.300 -0.154 0.000 1.170 687 V CB -0.930 30.817 31.823 -0.126 0.000 0.899 687 V HN 0.393 nan 8.190 nan 0.000 0.457 688 T N 0.860 115.318 114.554 -0.158 0.000 3.056 688 T HA 0.130 4.484 4.350 0.007 0.000 0.241 688 T C 1.245 175.857 174.700 -0.146 0.000 1.006 688 T CA 1.240 63.254 62.100 -0.144 0.000 1.115 688 T CB 0.562 69.340 68.868 -0.150 0.000 0.939 688 T HN 0.577 nan 8.240 nan 0.000 0.462 689 V N 0.671 120.485 119.914 -0.167 0.000 2.982 689 V HA 0.401 4.525 4.120 0.007 0.000 0.368 689 V C 1.709 177.696 176.094 -0.178 0.000 1.350 689 V CA -0.575 61.624 62.300 -0.168 0.000 1.251 689 V CB -1.077 30.636 31.823 -0.182 0.000 1.284 689 V HN 0.122 nan 8.190 nan 0.000 0.533 690 V N 1.998 121.816 119.914 -0.161 0.000 2.244 690 V HA -0.406 3.718 4.120 0.007 0.000 0.248 690 V C 3.040 179.047 176.094 -0.146 0.000 1.038 690 V CA 3.263 65.472 62.300 -0.151 0.000 1.026 690 V CB -1.510 30.240 31.823 -0.123 0.000 0.660 690 V HN 0.734 nan 8.190 nan 0.000 0.472 691 A N -0.265 122.480 122.820 -0.125 0.000 2.023 691 A HA -0.290 4.034 4.320 0.007 0.000 0.223 691 A C 2.303 179.797 177.584 -0.150 0.000 1.180 691 A CA 3.038 55.004 52.037 -0.119 0.000 0.659 691 A CB -0.936 18.004 19.000 -0.100 0.000 0.817 691 A HN 0.873 nan 8.150 nan 0.000 0.466 692 A N -0.924 121.783 122.820 -0.188 0.000 1.897 692 A HA 0.106 4.430 4.320 0.007 0.000 0.215 692 A C 2.214 179.583 177.584 -0.358 0.000 1.181 692 A CA 1.515 53.370 52.037 -0.304 0.000 0.620 692 A CB -0.862 17.953 19.000 -0.308 0.000 0.821 692 A HN 0.437 nan 8.150 nan 0.000 0.443 693 V N 0.257 120.015 119.914 -0.260 0.000 2.231 693 V HA -0.333 3.791 4.120 0.007 0.000 0.248 693 V C 2.544 178.543 176.094 -0.158 0.000 1.054 693 V CA 2.473 64.643 62.300 -0.218 0.000 1.015 693 V CB -0.860 30.850 31.823 -0.189 0.000 0.638 693 V HN 0.763 nan 8.190 nan 0.000 0.444 694 E N 0.037 120.166 120.200 -0.119 0.000 2.097 694 E HA -0.275 4.079 4.350 0.007 0.000 0.196 694 E C 2.239 178.829 176.600 -0.016 0.000 1.000 694 E CA 1.484 57.853 56.400 -0.052 0.000 0.804 694 E CB -0.242 29.426 29.700 -0.053 0.000 0.740 694 E HN 0.576 nan 8.360 nan 0.000 0.454 695 A N 0.780 123.547 122.820 -0.089 0.000 1.908 695 A HA -0.216 4.109 4.320 0.007 0.000 0.218 695 A C 2.192 179.780 177.584 0.007 0.000 1.181 695 A CA 1.850 53.860 52.037 -0.044 0.000 0.627 695 A CB -0.506 18.427 19.000 -0.112 0.000 0.818 695 A HN 0.299 nan 8.150 nan 0.000 0.445 696 M N -0.742 118.750 119.600 -0.180 0.000 2.132 696 M HA -0.154 4.330 4.480 0.007 0.000 0.263 696 M C 1.849 178.142 176.300 -0.011 0.000 1.065 696 M CA 1.751 56.971 55.300 -0.133 0.000 1.122 696 M CB -0.586 31.869 32.600 -0.243 0.000 1.365 696 M HN 0.536 nan 8.290 nan 0.000 0.411 697 N N -0.776 117.926 118.700 0.003 0.000 2.289 697 N HA -0.211 4.533 4.740 0.007 0.000 0.184 697 N C 1.396 176.955 175.510 0.082 0.000 1.016 697 N CA 1.000 54.069 53.050 0.033 0.000 0.872 697 N CB -0.118 38.386 38.487 0.030 0.000 0.973 697 N HN 0.405 nan 8.380 nan 0.000 0.433 698 W N 1.540 122.816 121.300 -0.040 0.000 2.418 698 W HA 0.069 4.732 4.660 0.006 0.000 0.292 698 W C 1.482 177.997 176.519 -0.007 0.000 1.213 698 W CA 0.691 58.036 57.345 -0.000 0.000 1.283 698 W CB -0.131 29.343 29.460 0.024 0.000 1.119 698 W HN -0.056 nan 8.180 nan 0.000 0.542 699 L N 0.547 121.823 121.223 0.088 0.000 2.072 699 L HA -0.144 4.200 4.340 0.007 0.000 0.205 699 L C 2.471 179.236 176.870 -0.176 0.000 1.079 699 L CA 1.413 56.188 54.840 -0.109 0.000 0.752 699 L CB -0.833 41.186 42.059 -0.066 0.000 0.906 699 L HN -0.155 nan 8.230 nan 0.000 0.436 700 K N -0.266 120.078 120.400 -0.092 0.000 2.057 700 K HA -0.116 4.209 4.320 0.007 0.000 0.207 700 K C 2.272 178.792 176.600 -0.133 0.000 1.049 700 K CA 1.634 57.873 56.287 -0.081 0.000 0.931 700 K CB -0.145 32.335 32.500 -0.033 0.000 0.714 700 K HN 0.153 nan 8.250 nan 0.000 0.440 701 S N 0.825 116.426 115.700 -0.164 0.000 2.383 701 S HA -0.103 4.371 4.470 0.007 0.000 0.227 701 S C 2.086 176.519 174.600 -0.279 0.000 1.026 701 S CA 1.061 59.153 58.200 -0.181 0.000 0.981 701 S CB -0.138 62.973 63.200 -0.148 0.000 0.818 701 S HN 0.415 nan 8.310 nan 0.000 0.472 702 A N 1.719 124.258 122.820 -0.468 0.000 1.877 702 A HA 0.140 4.464 4.320 0.007 0.000 0.216 702 A C 2.349 179.665 177.584 -0.446 0.000 1.186 702 A CA 1.662 53.294 52.037 -0.675 0.000 0.620 702 A CB -1.083 17.149 19.000 -1.281 0.000 0.822 702 A HN 0.516 nan 8.150 nan 0.000 0.443 703 A N -0.601 122.041 122.820 -0.298 0.000 1.968 703 A HA -0.070 4.254 4.320 0.007 0.000 0.217 703 A C 2.108 179.629 177.584 -0.106 0.000 1.169 703 A CA 1.720 53.677 52.037 -0.133 0.000 0.638 703 A CB -0.384 18.597 19.000 -0.031 0.000 0.812 703 A HN 0.536 nan 8.150 nan 0.000 0.446 704 K N -0.071 120.250 120.400 -0.133 0.000 2.026 704 K HA -0.063 4.261 4.320 0.007 0.000 0.208 704 K C 1.641 178.179 176.600 -0.104 0.000 1.048 704 K CA 1.490 57.703 56.287 -0.123 0.000 0.929 704 K CB -0.270 32.158 32.500 -0.120 0.000 0.713 704 K HN 0.492 nan 8.250 nan 0.000 0.439 705 L N 0.854 122.013 121.223 -0.107 0.000 2.418 705 L HA -0.044 4.300 4.340 0.007 0.000 0.218 705 L C 2.164 179.001 176.870 -0.055 0.000 1.125 705 L CA 0.200 54.996 54.840 -0.074 0.000 0.835 705 L CB -0.076 41.943 42.059 -0.066 0.000 0.953 705 L HN 0.181 nan 8.230 nan 0.000 0.454 706 L N -0.313 120.870 121.223 -0.068 0.000 2.131 706 L HA -0.025 4.319 4.340 0.007 0.000 0.206 706 L C 2.566 179.439 176.870 0.006 0.000 1.087 706 L CA 0.842 55.668 54.840 -0.023 0.000 0.767 706 L CB -0.358 41.686 42.059 -0.025 0.000 0.917 706 L HN 0.199 nan 8.230 nan 0.000 0.441 707 A N -0.120 122.697 122.820 -0.005 0.000 2.208 707 A HA 0.357 4.681 4.320 0.007 0.000 0.209 707 A C 1.154 178.733 177.584 -0.009 0.000 1.161 707 A CA 0.384 52.427 52.037 0.010 0.000 0.782 707 A CB -0.393 18.608 19.000 0.002 0.000 0.816 707 A HN 0.249 nan 8.150 nan 0.000 0.477 708 A N 0.217 123.021 122.820 -0.027 0.000 2.354 708 A HA 0.474 4.798 4.320 0.007 0.000 0.269 708 A C 0.105 177.675 177.584 -0.023 0.000 1.109 708 A CA -0.338 51.681 52.037 -0.029 0.000 0.800 708 A CB 0.145 19.121 19.000 -0.041 0.000 1.045 708 A HN 0.472 nan 8.150 nan 0.000 0.489 709 E N 1.878 122.066 120.200 -0.019 0.000 2.249 709 E HA 0.395 4.750 4.350 0.007 0.000 0.280 709 E C -0.387 176.187 176.600 -0.042 0.000 1.016 709 E CA -0.530 55.856 56.400 -0.024 0.000 0.830 709 E CB 1.308 31.002 29.700 -0.011 0.000 1.081 709 E HN 0.520 nan 8.360 nan 0.000 0.395 710 V N 4.153 124.029 119.914 -0.063 0.000 3.096 710 V HA 0.138 4.262 4.120 0.007 0.000 0.306 710 V C -0.151 175.906 176.094 -0.062 0.000 1.088 710 V CA 0.568 62.813 62.300 -0.093 0.000 1.129 710 V CB 1.152 32.892 31.823 -0.137 0.000 1.014 710 V HN 0.723 nan 8.190 nan 0.000 0.486 711 K N 2.774 123.137 120.400 -0.062 0.000 2.477 711 K HA 0.525 4.849 4.320 0.007 0.000 0.255 711 K C -1.605 174.976 176.600 -0.032 0.000 0.952 711 K CA -0.742 55.523 56.287 -0.037 0.000 0.826 711 K CB 1.956 34.441 32.500 -0.025 0.000 1.331 711 K HN 0.811 nan 8.250 nan 0.000 0.437 712 D N 0.782 121.170 120.400 -0.019 0.000 2.559 712 D HA 0.175 4.819 4.640 0.007 0.000 0.250 712 D C -1.412 174.886 176.300 -0.004 0.000 1.135 712 D CA -0.554 53.440 54.000 -0.010 0.000 0.955 712 D CB 1.682 42.476 40.800 -0.009 0.000 1.442 712 D HN 0.357 nan 8.370 nan 0.000 0.471 713 K N 1.142 121.542 120.400 0.001 0.000 2.163 713 K HA 0.195 4.519 4.320 0.007 0.000 0.267 713 K C 0.651 177.252 176.600 0.001 0.000 1.098 713 K CA 1.043 57.331 56.287 0.002 0.000 1.062 713 K CB -0.749 31.754 32.500 0.006 0.000 1.033 713 K HN 0.579 nan 8.250 nan 0.000 0.396 714 K N 0.583 120.983 120.400 -0.001 0.000 3.518 714 K HA -0.192 4.132 4.320 0.007 0.000 0.287 714 K C 0.401 177.000 176.600 -0.002 0.000 0.935 714 K CA 2.326 58.612 56.287 -0.001 0.000 1.201 714 K CB -2.493 nan 32.500 nan 0.000 1.453 714 K HN 0.702 nan 8.250 nan 0.000 0.443 715 T N 0.125 114.678 114.554 -0.002 0.000 2.897 715 T HA 0.508 4.862 4.350 0.007 0.000 0.294 715 T C 1.264 175.961 174.700 -0.005 0.000 1.004 715 T CA 0.113 62.212 62.100 -0.003 0.000 1.106 715 T CB 1.699 70.566 68.868 -0.001 0.000 0.949 715 T HN 0.946 nan 8.240 nan 0.000 0.520 716 G N 1.737 110.533 108.800 -0.006 0.000 3.574 716 G HA2 0.214 4.178 3.960 0.007 0.000 0.262 716 G HA3 0.214 4.178 3.960 0.007 0.000 0.262 716 G C 0.155 175.049 174.900 -0.009 0.000 1.231 716 G CA -0.347 44.749 45.100 -0.008 0.000 1.608 716 G HN 0.628 nan 8.290 nan 0.000 0.628 717 E N 0.695 120.889 120.200 -0.010 0.000 2.299 717 E HA 0.186 4.540 4.350 0.007 0.000 0.272 717 E C 0.475 177.064 176.600 -0.018 0.000 1.043 717 E CA -0.247 56.147 56.400 -0.010 0.000 0.895 717 E CB 0.347 30.043 29.700 -0.007 0.000 1.011 717 E HN 0.299 nan 8.360 nan 0.000 0.432 718 I N 7.156 127.717 120.570 -0.015 0.000 2.191 718 I HA 0.037 4.211 4.170 0.007 0.000 0.289 718 I C 0.835 176.939 176.117 -0.021 0.000 1.141 718 I CA -0.124 61.164 61.300 -0.020 0.000 1.430 718 I CB -0.024 37.968 38.000 -0.013 0.000 1.497 718 I HN 0.576 nan 8.210 nan 0.000 0.636 719 L N 2.523 123.726 121.223 -0.034 0.000 2.083 719 L HA 0.006 4.350 4.340 0.007 0.000 0.209 719 L C 1.319 178.169 176.870 -0.033 0.000 1.083 719 L CA 1.318 56.139 54.840 -0.032 0.000 0.752 719 L CB -0.254 41.770 42.059 -0.059 0.000 0.899 719 L HN 0.514 nan 8.230 nan 0.000 0.433 720 R N -0.230 120.237 120.500 -0.055 0.000 2.535 720 R HA 0.299 4.643 4.340 0.007 0.000 0.274 720 R C -0.981 175.300 176.300 -0.032 0.000 1.090 720 R CA -0.596 55.482 56.100 -0.037 0.000 0.930 720 R CB 1.605 31.874 30.300 -0.051 0.000 1.223 720 R HN -0.099 nan 8.270 nan 0.000 0.441 721 K N 1.167 121.560 120.400 -0.011 0.000 2.155 721 K HA 0.395 4.719 4.320 0.007 0.000 0.237 721 K C 0.231 176.833 176.600 0.002 0.000 1.040 721 K CA -0.396 55.888 56.287 -0.006 0.000 0.912 721 K CB 0.327 32.827 32.500 0.000 0.000 1.137 721 K HN 0.603 nan 8.250 nan 0.000 0.498 722 R N 0.363 120.869 120.500 0.010 0.000 2.442 722 R HA 0.207 4.552 4.340 0.007 0.000 0.291 722 R C -0.291 176.032 176.300 0.039 0.000 1.069 722 R CA -0.231 55.883 56.100 0.023 0.000 1.022 722 R CB -0.764 nan 30.300 nan 0.000 0.976 722 R HN 0.622 nan 8.270 nan 0.000 0.443 723 C N 1.627 120.959 119.300 0.053 0.000 2.411 723 C HA 0.835 5.300 4.460 0.007 0.000 0.330 723 C C 0.933 175.995 174.990 0.120 0.000 1.224 723 C CA -0.683 58.381 59.018 0.078 0.000 1.770 723 C CB 1.499 29.287 27.740 0.080 0.000 2.297 723 C HN 1.069 nan 8.230 nan 0.000 0.507 724 A N 2.277 125.181 122.820 0.141 0.000 2.363 724 A HA 0.550 4.874 4.320 0.007 0.000 0.270 724 A C -0.165 177.599 177.584 0.300 0.000 1.121 724 A CA -0.139 52.019 52.037 0.202 0.000 0.800 724 A CB 0.173 19.267 19.000 0.156 0.000 1.052 724 A HN 0.787 nan 8.150 nan 0.000 0.493 725 V N 4.816 124.953 119.914 0.372 0.000 2.470 725 V HA 0.185 4.309 4.120 0.007 0.000 0.276 725 V C 0.501 176.989 176.094 0.657 0.000 1.040 725 V CA 0.122 62.716 62.300 0.491 0.000 1.008 725 V CB 0.244 32.381 31.823 0.523 0.000 0.990 725 V HN 0.938 nan 8.190 nan 0.000 0.477 726 H N 5.208 124.597 119.070 0.532 0.000 2.717 726 H HA 0.588 5.148 4.556 0.007 0.000 0.366 726 H C -1.466 174.190 175.328 0.547 0.000 1.132 726 H CA -0.799 55.435 56.048 0.310 0.000 1.180 726 H CB 2.120 31.982 29.762 0.166 0.000 1.678 726 H HN 0.820 nan 8.280 nan 0.000 0.537 727 W N 3.335 124.243 121.300 -0.653 0.000 3.146 727 W HA 0.538 5.202 4.660 0.007 0.000 0.319 727 W C -2.323 173.832 176.519 -0.608 0.000 1.258 727 W CA -0.955 56.171 57.345 -0.365 0.000 1.189 727 W CB 0.392 30.032 29.460 0.301 0.000 1.412 727 W HN 0.269 nan 8.180 nan 0.000 0.567 728 V N 2.411 122.204 119.914 -0.202 0.000 2.417 728 V HA 0.467 4.592 4.120 0.007 0.000 0.291 728 V C 0.144 176.230 176.094 -0.013 0.000 1.024 728 V CA -0.517 61.651 62.300 -0.220 0.000 0.861 728 V CB 1.156 32.913 31.823 -0.111 0.000 0.985 728 V HN 0.659 nan 8.190 nan 0.000 0.436 729 T N 6.714 121.250 114.554 -0.031 0.000 2.897 729 T HA 0.255 4.609 4.350 0.007 0.000 0.294 729 T C -1.263 173.455 174.700 0.031 0.000 1.004 729 T CA -1.404 60.724 62.100 0.048 0.000 1.106 729 T CB 1.329 70.237 68.868 0.067 0.000 0.949 729 T HN 0.523 nan 8.240 nan 0.000 0.520 730 P HA -0.239 nan 4.420 nan 0.000 0.229 730 P C 0.978 178.260 177.300 -0.030 0.000 1.147 730 P CA 1.654 64.731 63.100 -0.038 0.000 0.949 730 P CB 0.004 31.631 31.700 -0.123 0.000 0.786 731 D N -2.462 117.925 120.400 -0.021 0.000 2.363 731 D HA 0.039 4.683 4.640 0.007 0.000 0.226 731 D C 1.353 177.662 176.300 0.016 0.000 1.020 731 D CA 1.013 55.007 54.000 -0.011 0.000 0.892 731 D CB -0.787 39.999 40.800 -0.023 0.000 0.900 731 D HN 0.386 nan 8.370 nan 0.000 0.531 732 G N -0.170 108.646 108.800 0.026 0.000 2.184 732 G HA2 -0.235 3.729 3.960 0.007 0.000 0.206 732 G HA3 -0.235 3.729 3.960 0.007 0.000 0.206 732 G C -0.157 174.759 174.900 0.026 0.000 0.995 732 G CA -0.176 44.936 45.100 0.021 0.000 0.651 732 G HN 0.375 nan 8.290 nan 0.000 0.511 733 F N 4.118 124.004 119.950 -0.106 0.000 2.472 733 F HA 0.574 5.105 4.527 0.007 0.000 0.364 733 F C -1.786 173.880 175.800 -0.223 0.000 1.090 733 F CA -2.145 55.772 58.000 -0.137 0.000 1.188 733 F CB 1.202 40.110 39.000 -0.152 0.000 1.105 733 F HN -0.003 nan 8.300 nan 0.000 0.536 734 P HA 0.268 nan 4.420 nan 0.000 0.288 734 P C -1.383 175.130 177.300 -1.313 0.000 1.267 734 P CA -0.384 62.133 63.100 -0.971 0.000 0.815 734 P CB 2.073 33.292 31.700 -0.802 0.000 0.989 735 V N 4.628 123.760 119.914 -1.303 0.000 2.525 735 V HA 0.536 4.660 4.120 0.007 0.000 0.299 735 V C -1.573 173.982 176.094 -0.898 0.000 1.034 735 V CA -0.667 61.076 62.300 -0.929 0.000 0.863 735 V CB 0.956 32.316 31.823 -0.772 0.000 0.999 735 V HN 0.464 nan 8.190 nan 0.000 0.423 736 W N 4.109 125.401 121.300 -0.012 0.000 2.520 736 W HA 0.621 5.285 4.660 0.007 0.000 0.323 736 W C 0.140 176.756 176.519 0.162 0.000 1.062 736 W CA -0.269 57.128 57.345 0.086 0.000 1.215 736 W CB 1.925 31.402 29.460 0.028 0.000 1.340 736 W HN 0.735 nan 8.180 nan 0.000 0.516 737 Q N 1.811 121.845 119.800 0.391 0.000 2.851 737 Q HA 0.312 4.656 4.340 0.007 0.000 0.331 737 Q C -0.142 175.888 176.000 0.051 0.000 0.979 737 Q CA -0.389 55.580 55.803 0.276 0.000 0.955 737 Q CB 0.151 nan 28.738 nan 0.000 1.298 737 Q HN 0.611 nan 8.270 nan 0.000 0.432 738 E N -0.563 119.453 120.200 -0.307 0.000 2.504 738 E HA 0.820 5.174 4.350 0.007 0.000 0.253 738 E C -0.949 175.146 176.600 -0.841 0.000 1.151 738 E CA -1.071 55.169 56.400 -0.267 0.000 0.972 738 E CB 1.141 30.758 29.700 -0.139 0.000 1.247 738 E HN 0.427 nan 8.360 nan 0.000 0.519 739 Y N -1.285 118.964 120.300 -0.085 0.000 2.264 739 Y HA 0.236 4.791 4.550 0.008 0.000 0.315 739 Y C -0.823 175.029 175.900 -0.081 0.000 1.262 739 Y CA -1.007 57.013 58.100 -0.133 0.000 1.176 739 Y CB 1.432 39.828 38.460 -0.106 0.000 1.283 739 Y HN 0.251 nan 8.280 nan 0.000 0.405 740 K N 2.871 123.284 120.400 0.021 0.000 2.143 740 K HA 0.365 4.690 4.320 0.007 0.000 0.272 740 K C -0.395 176.224 176.600 0.032 0.000 1.001 740 K CA -0.996 55.308 56.287 0.028 0.000 0.915 740 K CB 1.397 33.912 32.500 0.024 0.000 1.047 740 K HN 0.555 nan 8.250 nan 0.000 0.458 741 K N 3.333 123.749 120.400 0.027 0.000 2.453 741 K HA 0.033 4.357 4.320 0.007 0.000 0.280 741 K C -2.320 174.288 176.600 0.014 0.000 1.045 741 K CA -1.258 55.040 56.287 0.018 0.000 1.059 741 K CB 0.003 32.510 32.500 0.012 0.000 0.901 741 K HN 0.215 nan 8.250 nan 0.000 0.475 742 P HA 0.049 nan 4.420 nan 0.000 0.270 742 P C -0.543 176.762 177.300 0.008 0.000 1.242 742 P CA 0.004 63.111 63.100 0.012 0.000 0.768 742 P CB 0.214 31.917 31.700 0.006 0.000 0.820 743 I N -0.125 120.453 120.570 0.013 0.000 2.693 743 I HA 0.579 4.753 4.170 0.007 0.000 0.303 743 I C -0.640 175.485 176.117 0.014 0.000 1.025 743 I CA -1.216 60.090 61.300 0.010 0.000 1.086 743 I CB 2.206 40.212 38.000 0.009 0.000 1.268 743 I HN 0.137 nan 8.210 nan 0.000 0.440 744 Q N 2.732 122.538 119.800 0.010 0.000 2.330 744 Q HA 0.472 4.816 4.340 0.007 0.000 0.269 744 Q C -0.831 175.177 176.000 0.012 0.000 1.022 744 Q CA -0.661 55.150 55.803 0.012 0.000 0.796 744 Q CB 2.629 31.372 28.738 0.008 0.000 1.271 744 Q HN 0.791 nan 8.270 nan 0.000 0.450 745 T N 1.508 116.072 114.554 0.017 0.000 2.942 745 T HA 0.608 4.962 4.350 0.007 0.000 0.289 745 T C -0.922 173.789 174.700 0.019 0.000 1.044 745 T CA -0.577 61.533 62.100 0.017 0.000 1.023 745 T CB 0.932 69.812 68.868 0.021 0.000 1.123 745 T HN 0.469 nan 8.240 nan 0.000 0.512 746 R N 2.373 122.885 120.500 0.019 0.000 2.599 746 R HA 0.578 4.922 4.340 0.007 0.000 0.295 746 R C -0.823 175.492 176.300 0.024 0.000 0.963 746 R CA -0.793 55.317 56.100 0.017 0.000 0.883 746 R CB 1.731 32.039 30.300 0.013 0.000 1.171 746 R HN 0.493 nan 8.270 nan 0.000 0.450 747 L N 1.691 122.922 121.223 0.012 0.000 2.360 747 L HA 0.376 4.721 4.340 0.007 0.000 0.271 747 L C 0.107 176.979 176.870 0.004 0.000 1.057 747 L CA -0.812 54.034 54.840 0.009 0.000 0.803 747 L CB 0.986 42.999 42.059 -0.077 0.000 1.207 747 L HN 0.468 nan 8.230 nan 0.000 0.445 748 N N 2.860 121.578 118.700 0.030 0.000 2.626 748 N HA 0.453 5.198 4.740 0.007 0.000 0.242 748 N C -1.516 174.017 175.510 0.037 0.000 1.005 748 N CA -0.222 52.849 53.050 0.036 0.000 0.905 748 N CB 0.472 38.989 38.487 0.051 0.000 1.128 748 N HN 0.431 nan 8.380 nan 0.000 0.512 749 L N 2.376 123.605 121.223 0.010 0.000 2.325 749 L HA 0.498 4.843 4.340 0.007 0.000 0.281 749 L C 0.170 177.043 176.870 0.005 0.000 1.004 749 L CA -0.866 53.981 54.840 0.012 0.000 0.823 749 L CB 1.646 43.688 42.059 -0.027 0.000 1.236 749 L HN 0.330 nan 8.230 nan 0.000 0.415 750 M N 4.428 124.033 119.600 0.009 0.000 2.821 750 M HA 0.186 4.670 4.480 0.007 0.000 0.305 750 M C -0.729 175.512 176.300 -0.098 0.000 1.466 750 M CA -0.180 55.097 55.300 -0.038 0.000 1.526 750 M CB -0.494 32.102 32.600 -0.006 0.000 1.321 750 M HN 0.294 nan 8.290 nan 0.000 0.492 751 F N 5.353 125.054 119.950 -0.415 0.000 2.502 751 F HA 0.240 4.771 4.527 0.008 0.000 0.371 751 F C 0.589 176.120 175.800 -0.448 0.000 1.083 751 F CA 0.292 57.989 58.000 -0.505 0.000 1.174 751 F CB 0.128 38.640 39.000 -0.812 0.000 1.096 751 F HN 0.608 nan 8.300 nan 0.000 0.545 752 L N 5.542 126.368 121.223 -0.662 0.000 4.312 752 L HA -0.343 4.002 4.340 0.007 0.000 0.427 752 L C 1.322 178.082 176.870 -0.184 0.000 1.149 752 L CA 0.781 55.367 54.840 -0.423 0.000 0.978 752 L CB -1.976 39.852 42.059 -0.386 0.000 1.963 752 L HN 1.116 nan 8.230 nan 0.000 0.970 753 G N -1.096 107.616 108.800 -0.148 0.000 2.166 753 G HA2 -0.346 3.619 3.960 0.007 0.000 0.260 753 G HA3 -0.346 3.619 3.960 0.007 0.000 0.260 753 G C 0.630 175.522 174.900 -0.013 0.000 0.986 753 G CA 0.940 46.004 45.100 -0.059 0.000 0.683 753 G HN 0.597 nan 8.290 nan 0.000 0.527 754 Q N -1.558 118.239 119.800 -0.006 0.000 2.387 754 Q HA 0.441 4.785 4.340 0.007 0.000 0.208 754 Q C 1.079 177.216 176.000 0.228 0.000 0.935 754 Q CA 1.139 57.021 55.803 0.131 0.000 0.891 754 Q CB 0.424 29.312 28.738 0.250 0.000 1.007 754 Q HN 0.933 nan 8.270 nan 0.000 0.548 755 F N -1.868 118.138 119.950 0.093 0.000 2.726 755 F HA 0.598 5.129 4.527 0.007 0.000 0.324 755 F C -1.214 174.640 175.800 0.090 0.000 1.140 755 F CA -1.572 56.473 58.000 0.075 0.000 0.964 755 F CB 1.148 40.181 39.000 0.055 0.000 1.399 755 F HN -0.422 nan 8.300 nan 0.000 0.491 756 R N 1.759 122.411 120.500 0.254 0.000 2.247 756 R HA 0.468 4.812 4.340 0.007 0.000 0.329 756 R C -1.328 175.100 176.300 0.213 0.000 1.014 756 R CA -0.827 55.347 56.100 0.124 0.000 0.907 756 R CB 1.205 31.569 30.300 0.106 0.000 1.146 756 R HN 0.622 nan 8.270 nan 0.000 0.499 757 L N 3.408 124.677 121.223 0.078 0.000 2.456 757 L HA 0.054 4.399 4.340 0.007 0.000 0.277 757 L C -0.477 176.420 176.870 0.044 0.000 1.124 757 L CA 0.836 55.743 54.840 0.112 0.000 0.880 757 L CB 0.451 42.475 42.059 -0.058 0.000 1.192 757 L HN 0.530 nan 8.230 nan 0.000 0.463 758 Q N 7.311 127.143 119.800 0.053 0.000 2.607 758 Q HA 0.401 4.745 4.340 0.007 0.000 0.247 758 Q C -2.298 173.704 176.000 0.002 0.000 1.033 758 Q CA -1.746 54.069 55.803 0.021 0.000 0.769 758 Q CB 1.192 29.949 28.738 0.031 0.000 1.169 758 Q HN 0.493 nan 8.270 nan 0.000 0.508 759 P HA 0.129 nan 4.420 nan 0.000 0.293 759 P C -0.617 176.679 177.300 -0.007 0.000 1.300 759 P CA -0.407 62.683 63.100 -0.017 0.000 0.792 759 P CB 1.275 32.957 31.700 -0.029 0.000 0.925 760 T N 4.965 119.516 114.554 -0.004 0.000 2.752 760 T HA 0.392 4.746 4.350 0.007 0.000 0.295 760 T C 0.694 175.397 174.700 0.006 0.000 0.923 760 T CA 0.005 62.106 62.100 0.002 0.000 1.112 760 T CB -0.524 68.344 68.868 -0.001 0.000 0.884 760 T HN 0.320 nan 8.240 nan 0.000 0.525 761 I N 0.389 120.967 120.570 0.013 0.000 2.740 761 I HA 0.627 4.801 4.170 0.007 0.000 0.303 761 I C -0.505 175.629 176.117 0.028 0.000 1.044 761 I CA -1.451 59.863 61.300 0.022 0.000 1.064 761 I CB 1.696 39.714 38.000 0.029 0.000 1.249 761 I HN 0.132 nan 8.210 nan 0.000 0.433 762 N N 3.155 121.875 118.700 0.034 0.000 2.405 762 N HA 0.203 4.947 4.740 0.007 0.000 0.260 762 N C -0.663 174.877 175.510 0.049 0.000 1.152 762 N CA 0.015 53.088 53.050 0.038 0.000 0.948 762 N CB 0.757 39.268 38.487 0.041 0.000 1.111 762 N HN 0.623 nan 8.380 nan 0.000 0.485 763 T N 1.358 115.938 114.554 0.044 0.000 2.853 763 T HA 0.058 4.412 4.350 0.007 0.000 0.298 763 T C 1.313 176.047 174.700 0.056 0.000 0.978 763 T CA -0.135 61.995 62.100 0.050 0.000 1.152 763 T CB 0.369 69.258 68.868 0.035 0.000 0.914 763 T HN 0.445 nan 8.240 nan 0.000 0.539 764 N N 0.894 119.637 118.700 0.073 0.000 2.446 764 N HA -0.025 4.719 4.740 0.007 0.000 0.179 764 N C 0.749 176.290 175.510 0.051 0.000 1.054 764 N CA 0.047 53.131 53.050 0.058 0.000 0.905 764 N CB 0.184 38.711 38.487 0.067 0.000 0.973 764 N HN 0.302 nan 8.380 nan 0.000 0.448 765 K N 2.251 122.698 120.400 0.078 0.000 2.416 765 K HA -0.001 4.323 4.320 0.007 0.000 0.283 765 K C -1.014 175.602 176.600 0.027 0.000 1.037 765 K CA 0.004 56.329 56.287 0.064 0.000 0.995 765 K CB 0.254 32.774 32.500 0.034 0.000 0.938 765 K HN -0.065 nan 8.250 nan 0.000 0.475 766 D N 1.678 122.085 120.400 0.013 0.000 2.382 766 D HA 0.090 4.734 4.640 0.007 0.000 0.240 766 D C 0.362 176.663 176.300 0.003 0.000 1.146 766 D CA 0.267 54.267 54.000 0.001 0.000 0.897 766 D CB 0.999 41.788 40.800 -0.018 0.000 1.197 766 D HN 0.687 nan 8.370 nan 0.000 0.432 767 S N 0.332 116.034 115.700 0.003 0.000 4.383 767 S HA 0.322 4.796 4.470 0.007 0.000 0.216 767 S C -0.106 174.495 174.600 0.001 0.000 1.122 767 S CA -0.781 57.420 58.200 0.002 0.000 1.745 767 S CB 0.665 63.868 63.200 0.006 0.000 1.094 767 S HN 0.451 nan 8.310 nan 0.000 0.754 768 E N 0.208 120.411 120.200 0.004 0.000 2.242 768 E HA 0.467 4.821 4.350 0.007 0.000 0.275 768 E C -0.930 175.677 176.600 0.012 0.000 1.002 768 E CA -0.721 55.682 56.400 0.005 0.000 0.841 768 E CB 0.877 30.579 29.700 0.004 0.000 1.109 768 E HN 0.480 nan 8.360 nan 0.000 0.394 769 I N 3.250 123.829 120.570 0.014 0.000 2.587 769 I HA -0.062 4.112 4.170 0.007 0.000 0.284 769 I C 0.286 176.427 176.117 0.040 0.000 1.134 769 I CA 0.097 61.414 61.300 0.028 0.000 1.410 769 I CB 0.225 38.241 38.000 0.026 0.000 1.392 769 I HN 0.461 nan 8.210 nan 0.000 0.545 770 D N 6.200 126.635 120.400 0.058 0.000 2.348 770 D HA 0.153 4.797 4.640 0.007 0.000 0.259 770 D C 0.942 177.287 176.300 0.074 0.000 1.296 770 D CA 0.097 54.135 54.000 0.063 0.000 0.931 770 D CB 1.215 42.057 40.800 0.069 0.000 1.067 770 D HN 0.628 nan 8.370 nan 0.000 0.503 771 A N 4.586 127.442 122.820 0.059 0.000 2.015 771 A HA -0.194 4.130 4.320 0.007 0.000 0.219 771 A C 2.000 179.607 177.584 0.038 0.000 1.163 771 A CA 0.959 53.023 52.037 0.045 0.000 0.646 771 A CB -0.495 18.522 19.000 0.029 0.000 0.806 771 A HN 0.790 nan 8.150 nan 0.000 0.448 772 H N -0.066 118.986 119.070 -0.030 0.000 2.333 772 H HA 0.045 4.605 4.556 0.006 0.000 0.302 772 H C 1.768 177.044 175.328 -0.088 0.000 1.075 772 H CA 1.676 57.692 56.048 -0.053 0.000 1.348 772 H CB 0.021 29.748 29.762 -0.057 0.000 1.393 772 H HN 0.431 nan 8.280 nan 0.000 0.509 773 K N 0.289 120.699 120.400 0.017 0.000 2.217 773 K HA -0.139 4.186 4.320 0.007 0.000 0.202 773 K C 2.242 178.724 176.600 -0.197 0.000 1.051 773 K CA 0.816 56.969 56.287 -0.223 0.000 0.952 773 K CB 0.142 32.390 32.500 -0.421 0.000 0.736 773 K HN 0.169 nan 8.250 nan 0.000 0.453 774 Q N 1.228 121.040 119.800 0.021 0.000 2.124 774 Q HA -0.151 4.193 4.340 0.007 0.000 0.202 774 Q C 1.312 177.345 176.000 0.055 0.000 0.977 774 Q CA 1.623 57.506 55.803 0.132 0.000 0.850 774 Q CB 0.231 29.038 28.738 0.114 0.000 0.901 774 Q HN 0.307 nan 8.270 nan 0.000 0.429 775 E N -1.053 119.118 120.200 -0.048 0.000 2.086 775 E HA -0.075 4.279 4.350 0.007 0.000 0.190 775 E C 1.834 178.376 176.600 -0.096 0.000 0.975 775 E CA 1.073 57.417 56.400 -0.094 0.000 0.813 775 E CB 0.073 29.674 29.700 -0.166 0.000 0.768 775 E HN 0.424 nan 8.360 nan 0.000 0.457 776 S N -0.244 115.372 115.700 -0.142 0.000 2.522 776 S HA 0.024 4.498 4.470 0.007 0.000 0.227 776 S C 1.831 176.413 174.600 -0.029 0.000 0.986 776 S CA 0.618 58.757 58.200 -0.102 0.000 0.929 776 S CB 0.418 63.544 63.200 -0.123 0.000 0.769 776 S HN 0.244 nan 8.310 nan 0.000 0.529 777 G N 0.833 109.626 108.800 -0.012 0.000 2.833 777 G HA2 0.350 4.314 3.960 0.007 0.000 0.210 777 G HA3 0.350 4.314 3.960 0.007 0.000 0.210 777 G C 1.437 176.539 174.900 0.337 0.000 1.139 777 G CA 0.330 45.517 45.100 0.146 0.000 0.771 777 G HN 0.617 nan 8.290 nan 0.000 0.535 778 I N 1.407 122.128 120.570 0.251 0.000 2.226 778 I HA 0.269 4.443 4.170 0.007 0.000 0.245 778 I C 2.998 179.236 176.117 0.203 0.000 1.100 778 I CA 2.325 63.795 61.300 0.283 0.000 1.374 778 I CB -1.290 nan 38.000 nan 0.000 1.057 778 I HN 0.350 nan 8.210 nan 0.000 0.413 779 A N 1.160 124.047 122.820 0.111 0.000 1.858 779 A HA -0.051 4.273 4.320 0.007 0.000 0.216 779 A C 1.033 178.709 177.584 0.154 0.000 1.190 779 A CA 1.822 53.889 52.037 0.050 0.000 0.617 779 A CB -1.812 17.212 19.000 0.040 0.000 0.827 779 A HN 0.592 nan 8.150 nan 0.000 0.443 780 P HA -0.164 nan 4.420 nan 0.000 0.212 780 P C 0.597 178.478 177.300 0.969 0.000 1.180 780 P CA 1.545 64.984 63.100 0.564 0.000 0.906 780 P CB -0.425 31.697 31.700 0.703 0.000 0.782 781 N N -0.450 118.804 118.700 0.924 0.000 2.139 781 N HA -0.231 4.513 4.740 0.007 0.000 0.199 781 N C 1.567 178.090 175.510 1.688 0.000 1.003 781 N CA 1.105 54.894 53.050 1.231 0.000 0.892 781 N CB -1.543 37.749 38.487 1.342 0.000 1.039 781 N HN 0.203 nan 8.380 nan 0.000 0.461 782 F N 1.832 121.396 119.950 -0.643 0.000 2.000 782 F HA -0.283 4.248 4.527 0.007 0.000 0.296 782 F C 2.402 177.926 175.800 -0.460 0.000 1.159 782 F CA 2.291 58.760 58.000 -2.551 0.000 1.183 782 F CB -0.787 36.933 39.000 -2.133 0.000 0.959 782 F HN -0.039 nan 8.300 nan 0.000 0.490 783 V N -0.967 118.898 119.914 -0.082 0.000 2.453 783 V HA -0.340 3.784 4.120 0.007 0.000 0.252 783 V C 2.084 178.108 176.094 -0.116 0.000 1.068 783 V CA 2.389 64.586 62.300 -0.172 0.000 1.070 783 V CB -1.660 30.015 31.823 -0.248 0.000 0.664 783 V HN 0.545 nan 8.190 nan 0.000 0.461 784 H N 2.396 121.541 119.070 0.125 0.000 2.253 784 H HA -0.130 4.430 4.556 0.006 0.000 0.296 784 H C 2.802 178.131 175.328 0.002 0.000 1.067 784 H CA 2.998 59.072 56.048 0.044 0.000 1.245 784 H CB -0.740 29.029 29.762 0.013 0.000 1.364 784 H HN 0.681 nan 8.280 nan 0.000 0.494 785 S N 0.509 116.381 115.700 0.286 0.000 2.377 785 S HA -0.367 4.107 4.470 0.007 0.000 0.224 785 S C 2.215 176.861 174.600 0.075 0.000 1.042 785 S CA 1.749 60.004 58.200 0.091 0.000 1.086 785 S CB -0.634 62.422 63.200 -0.239 0.000 0.995 785 S HN 0.421 nan 8.310 nan 0.000 0.428 786 Q N 1.968 121.858 119.800 0.151 0.000 2.047 786 Q HA -0.227 4.118 4.340 0.007 0.000 0.211 786 Q C 1.657 177.623 176.000 -0.056 0.000 1.005 786 Q CA 2.589 58.396 55.803 0.006 0.000 0.866 786 Q CB -1.076 27.576 28.738 -0.142 0.000 0.938 786 Q HN 0.621 nan 8.270 nan 0.000 0.414 787 D N -0.889 119.396 120.400 -0.193 0.000 2.116 787 D HA -0.149 4.495 4.640 0.007 0.000 0.193 787 D C 1.711 177.932 176.300 -0.133 0.000 0.998 787 D CA 1.592 55.402 54.000 -0.317 0.000 0.836 787 D CB -0.900 39.680 40.800 -0.366 0.000 0.951 787 D HN 0.517 nan 8.370 nan 0.000 0.449 788 G N 0.645 109.359 108.800 -0.142 0.000 2.514 788 G HA2 -0.319 3.646 3.960 0.007 0.000 0.217 788 G HA3 -0.319 3.646 3.960 0.007 0.000 0.217 788 G C 1.763 176.535 174.900 -0.213 0.000 1.198 788 G CA 2.329 47.300 45.100 -0.215 0.000 0.780 788 G HN 0.442 nan 8.290 nan 0.000 0.565 789 S N -0.046 115.547 115.700 -0.179 0.000 2.359 789 S HA -0.283 4.192 4.470 0.007 0.000 0.224 789 S C 2.036 176.622 174.600 -0.024 0.000 1.035 789 S CA 1.772 59.903 58.200 -0.115 0.000 1.018 789 S CB -1.050 62.142 63.200 -0.012 0.000 0.876 789 S HN 0.600 nan 8.310 nan 0.000 0.448 790 H N 2.232 121.285 119.070 -0.029 0.000 2.268 790 H HA -0.187 4.374 4.556 0.008 0.000 0.288 790 H C 2.242 177.620 175.328 0.083 0.000 1.088 790 H CA 2.309 58.398 56.048 0.069 0.000 1.182 790 H CB -0.800 29.081 29.762 0.198 0.000 1.348 790 H HN 0.486 nan 8.280 nan 0.000 0.499 791 L N 0.690 122.055 121.223 0.236 0.000 2.021 791 L HA -0.258 4.086 4.340 0.007 0.000 0.215 791 L C 3.015 179.905 176.870 0.033 0.000 1.074 791 L CA 1.779 56.749 54.840 0.217 0.000 0.760 791 L CB -0.292 41.811 42.059 0.073 0.000 0.889 791 L HN 0.313 nan 8.230 nan 0.000 0.433 792 R N -0.065 120.386 120.500 -0.081 0.000 2.080 792 R HA -0.207 4.137 4.340 0.007 0.000 0.236 792 R C 2.307 178.544 176.300 -0.105 0.000 1.137 792 R CA 2.041 58.059 56.100 -0.137 0.000 0.943 792 R CB -0.392 29.798 30.300 -0.184 0.000 0.846 792 R HN 0.440 nan 8.270 nan 0.000 0.431 793 K N -0.048 120.292 120.400 -0.100 0.000 2.032 793 K HA -0.130 4.194 4.320 0.007 0.000 0.209 793 K C 2.220 178.779 176.600 -0.069 0.000 1.048 793 K CA 1.998 58.231 56.287 -0.090 0.000 0.927 793 K CB -0.354 32.059 32.500 -0.145 0.000 0.712 793 K HN 0.182 nan 8.250 nan 0.000 0.441 794 T N 1.499 115.973 114.554 -0.134 0.000 2.570 794 T HA -0.196 4.159 4.350 0.007 0.000 0.266 794 T C 2.068 176.775 174.700 0.012 0.000 1.071 794 T CA 1.926 63.960 62.100 -0.110 0.000 1.172 794 T CB -0.546 68.213 68.868 -0.181 0.000 0.864 794 T HN -0.039 nan 8.240 nan 0.000 0.421 795 V N 1.280 121.155 119.914 -0.064 0.000 2.217 795 V HA -0.248 3.876 4.120 0.007 0.000 0.248 795 V C 2.633 178.625 176.094 -0.170 0.000 1.050 795 V CA 2.115 64.209 62.300 -0.343 0.000 1.007 795 V CB -1.215 30.272 31.823 -0.561 0.000 0.639 795 V HN 0.340 nan 8.190 nan 0.000 0.452 796 V N -0.264 119.585 119.914 -0.109 0.000 2.223 796 V HA -0.403 3.721 4.120 0.007 0.000 0.253 796 V C 2.042 178.216 176.094 0.133 0.000 1.061 796 V CA 2.899 65.203 62.300 0.006 0.000 1.035 796 V CB -1.067 30.769 31.823 0.021 0.000 0.653 796 V HN 0.828 nan 8.190 nan 0.000 0.454 797 W N 0.902 122.191 121.300 -0.019 0.000 2.247 797 W HA -0.373 4.291 4.660 0.007 0.000 0.330 797 W C 2.621 179.189 176.519 0.083 0.000 1.278 797 W CA 3.371 60.719 57.345 0.005 0.000 1.174 797 W CB -1.031 28.404 29.460 -0.041 0.000 1.153 797 W HN 0.371 nan 8.180 nan 0.000 0.464 798 A N 0.378 123.381 122.820 0.305 0.000 1.883 798 A HA -0.420 3.905 4.320 0.007 0.000 0.222 798 A C 1.865 179.591 177.584 0.236 0.000 1.339 798 A CA 3.199 55.416 52.037 0.300 0.000 0.692 798 A CB -1.995 17.262 19.000 0.429 0.000 0.845 798 A HN 0.763 nan 8.150 nan 0.000 0.467 799 H N -0.432 118.806 119.070 0.280 0.000 2.472 799 H HA -0.191 4.369 4.556 0.007 0.000 0.295 799 H C 1.972 177.318 175.328 0.031 0.000 1.051 799 H CA 2.489 58.688 56.048 0.252 0.000 1.138 799 H CB -0.453 29.477 29.762 0.281 0.000 1.404 799 H HN 0.640 nan 8.280 nan 0.000 0.603 800 E N 0.065 120.333 120.200 0.113 0.000 2.245 800 E HA -0.346 4.009 4.350 0.007 0.000 0.217 800 E C 2.159 178.594 176.600 -0.275 0.000 1.069 800 E CA 1.572 57.937 56.400 -0.059 0.000 0.877 800 E CB -0.136 29.536 29.700 -0.047 0.000 0.757 800 E HN 0.318 nan 8.360 nan 0.000 0.464 801 K N 0.871 121.017 120.400 -0.423 0.000 1.984 801 K HA -0.067 4.257 4.320 0.007 0.000 0.219 801 K C 0.818 177.130 176.600 -0.480 0.000 1.033 801 K CA 1.154 57.072 56.287 -0.616 0.000 0.983 801 K CB -0.730 31.174 32.500 -0.994 0.000 0.762 801 K HN -0.005 nan 8.250 nan 0.000 0.445 802 Y N -0.469 119.678 120.300 -0.255 0.000 2.220 802 Y HA 0.186 4.740 4.550 0.007 0.000 0.347 802 Y C 1.741 177.510 175.900 -0.218 0.000 1.311 802 Y CA 0.407 58.394 58.100 -0.188 0.000 1.593 802 Y CB 0.054 38.432 38.460 -0.137 0.000 1.419 802 Y HN 0.370 nan 8.280 nan 0.000 0.614 803 G N 0.636 109.439 108.800 0.006 0.000 3.379 803 G HA2 0.196 4.160 3.960 0.007 0.000 0.253 803 G HA3 0.196 4.160 3.960 0.007 0.000 0.253 803 G C -0.035 174.797 174.900 -0.114 0.000 1.262 803 G CA -0.226 44.816 45.100 -0.096 0.000 0.959 803 G HN 0.390 nan 8.290 nan 0.000 0.524 804 I N 0.598 121.103 120.570 -0.107 0.000 2.436 804 I HA 0.117 4.292 4.170 0.007 0.000 0.289 804 I C 0.887 176.970 176.117 -0.056 0.000 1.083 804 I CA 0.100 61.300 61.300 -0.166 0.000 1.372 804 I CB 1.158 39.017 38.000 -0.235 0.000 1.408 804 I HN 0.249 nan 8.210 nan 0.000 0.516 805 E N 2.791 122.939 120.200 -0.087 0.000 2.244 805 E HA 0.087 4.441 4.350 0.007 0.000 0.196 805 E C 0.173 176.772 176.600 -0.002 0.000 0.939 805 E CA 0.209 56.678 56.400 0.115 0.000 0.884 805 E CB 0.489 30.233 29.700 0.075 0.000 0.850 805 E HN 0.545 nan 8.360 nan 0.000 0.481 806 S N 0.524 116.062 115.700 -0.270 0.000 2.541 806 S HA 0.501 4.976 4.470 0.007 0.000 0.283 806 S C -0.716 173.540 174.600 -0.575 0.000 1.196 806 S CA -0.441 57.569 58.200 -0.316 0.000 1.062 806 S CB 0.597 63.585 63.200 -0.354 0.000 1.009 806 S HN 0.028 nan 8.310 nan 0.000 0.502 807 F N 0.663 120.516 119.950 -0.162 0.000 2.578 807 F HA 0.639 5.170 4.527 0.007 0.000 0.311 807 F C -0.009 175.759 175.800 -0.053 0.000 1.094 807 F CA -0.873 57.088 58.000 -0.065 0.000 0.923 807 F CB 1.751 40.760 39.000 0.016 0.000 1.230 807 F HN 0.593 nan 8.300 nan 0.000 0.450 808 A N 4.384 127.348 122.820 0.241 0.000 2.360 808 A HA 0.800 5.125 4.320 0.007 0.000 0.309 808 A C -1.414 176.317 177.584 0.245 0.000 1.311 808 A CA -0.447 51.834 52.037 0.407 0.000 0.805 808 A CB 0.203 19.403 19.000 0.334 0.000 1.144 808 A HN 0.732 nan 8.150 nan 0.000 0.486 809 L N 3.189 124.503 121.223 0.151 0.000 2.305 809 L HA 0.566 4.910 4.340 0.007 0.000 0.284 809 L C -0.473 176.257 176.870 -0.232 0.000 1.013 809 L CA -0.245 54.517 54.840 -0.131 0.000 0.819 809 L CB 1.644 43.566 42.059 -0.227 0.000 1.227 809 L HN 0.629 nan 8.230 nan 0.000 0.417 810 I N 2.756 123.151 120.570 -0.291 0.000 2.954 810 I HA 0.258 4.432 4.170 0.007 0.000 0.312 810 I C 0.222 176.204 176.117 -0.224 0.000 1.391 810 I CA -0.232 60.908 61.300 -0.267 0.000 0.906 810 I CB -0.119 37.826 38.000 -0.092 0.000 2.079 810 I HN 0.775 nan 8.210 nan 0.000 0.618 811 H N 0.899 119.793 119.070 -0.293 0.000 5.008 811 H HA -0.284 4.277 4.556 0.008 0.000 0.066 811 H C 1.120 176.308 175.328 -0.234 0.000 0.566 811 H CA 2.291 58.177 56.048 -0.271 0.000 1.018 811 H CB -0.832 28.792 29.762 -0.230 0.000 0.468 811 H HN 0.726 nan 8.280 nan 0.000 0.767 812 D N 0.152 120.501 120.400 -0.085 0.000 2.525 812 D HA 0.267 4.911 4.640 0.007 0.000 0.231 812 D C 0.111 176.355 176.300 -0.093 0.000 1.216 812 D CA 0.628 54.616 54.000 -0.021 0.000 0.813 812 D CB 0.256 41.136 40.800 0.134 0.000 1.108 812 D HN 0.278 nan 8.370 nan 0.000 0.524 813 S N -0.140 115.401 115.700 -0.264 0.000 2.489 813 S HA 0.629 5.103 4.470 0.007 0.000 0.291 813 S C -1.313 173.060 174.600 -0.379 0.000 1.151 813 S CA -0.563 57.563 58.200 -0.123 0.000 1.082 813 S CB 0.325 63.511 63.200 -0.023 0.000 1.019 813 S HN 0.080 nan 8.310 nan 0.000 0.492 814 F N 2.504 122.595 119.950 0.235 0.000 2.499 814 F HA 0.596 5.128 4.527 0.007 0.000 0.333 814 F C 0.729 176.692 175.800 0.272 0.000 1.138 814 F CA -0.592 57.569 58.000 0.269 0.000 0.945 814 F CB 2.062 41.245 39.000 0.306 0.000 1.181 814 F HN 0.690 nan 8.300 nan 0.000 0.435 815 G N 1.440 110.428 108.800 0.313 0.000 2.542 815 G HA2 0.736 4.701 3.960 0.007 0.000 0.311 815 G HA3 0.736 4.701 3.960 0.007 0.000 0.311 815 G C -1.139 173.799 174.900 0.063 0.000 1.298 815 G CA -0.595 44.592 45.100 0.145 0.000 0.973 815 G HN 0.525 nan 8.290 nan 0.000 0.487 816 T N 0.562 115.101 114.554 -0.026 0.000 2.739 816 T HA 0.418 4.772 4.350 0.007 0.000 0.303 816 T C 0.241 174.859 174.700 -0.137 0.000 1.389 816 T CA -0.618 61.394 62.100 -0.147 0.000 1.001 816 T CB 1.121 69.877 68.868 -0.187 0.000 1.436 816 T HN 0.849 nan 8.240 nan 0.000 0.500 817 I N 0.080 120.550 120.570 -0.166 0.000 2.872 817 I HA 0.221 4.395 4.170 0.007 0.000 0.291 817 I C -1.879 174.204 176.117 -0.056 0.000 1.216 817 I CA -1.541 59.688 61.300 -0.117 0.000 1.424 817 I CB 0.038 37.961 38.000 -0.128 0.000 1.351 817 I HN 0.336 nan 8.210 nan 0.000 0.592 818 P HA -0.244 nan 4.420 nan 0.000 0.216 818 P C 1.500 178.844 177.300 0.075 0.000 1.154 818 P CA 2.310 65.458 63.100 0.081 0.000 0.865 818 P CB 0.093 31.874 31.700 0.134 0.000 0.789 819 A N -0.428 122.409 122.820 0.029 0.000 1.933 819 A HA -0.188 4.136 4.320 0.007 0.000 0.218 819 A C 1.673 179.233 177.584 -0.041 0.000 1.175 819 A CA 2.022 54.067 52.037 0.013 0.000 0.628 819 A CB -1.143 17.853 19.000 -0.007 0.000 0.814 819 A HN 0.113 nan 8.150 nan 0.000 0.444 820 D N -0.769 119.581 120.400 -0.082 0.000 2.349 820 D HA 0.329 4.973 4.640 0.007 0.000 0.214 820 D C 1.826 178.021 176.300 -0.175 0.000 1.063 820 D CA 0.753 54.666 54.000 -0.146 0.000 0.847 820 D CB 0.027 40.724 40.800 -0.171 0.000 0.933 820 D HN 0.389 nan 8.370 nan 0.000 0.513 821 A N 1.137 123.888 122.820 -0.115 0.000 1.902 821 A HA -0.077 4.247 4.320 0.007 0.000 0.217 821 A C 2.296 179.604 177.584 -0.459 0.000 1.181 821 A CA 1.865 53.843 52.037 -0.097 0.000 0.623 821 A CB -0.561 18.470 19.000 0.051 0.000 0.818 821 A HN 0.235 nan 8.150 nan 0.000 0.443 822 A N 0.222 122.694 122.820 -0.580 0.000 1.940 822 A HA -0.235 4.089 4.320 0.007 0.000 0.219 822 A C 1.900 179.166 177.584 -0.531 0.000 1.176 822 A CA 1.810 53.372 52.037 -0.792 0.000 0.631 822 A CB -0.837 17.916 19.000 -0.410 0.000 0.814 822 A HN 0.743 nan 8.150 nan 0.000 0.446 823 N N -0.809 117.582 118.700 -0.515 0.000 2.216 823 N HA -0.064 4.680 4.740 0.007 0.000 0.183 823 N C 1.645 176.795 175.510 -0.600 0.000 1.017 823 N CA 1.028 53.590 53.050 -0.812 0.000 0.861 823 N CB -0.155 37.615 38.487 -1.194 0.000 0.986 823 N HN 0.390 nan 8.380 nan 0.000 0.428 824 L N 0.385 121.382 121.223 -0.376 0.000 2.056 824 L HA -0.032 4.313 4.340 0.007 0.000 0.207 824 L C 1.800 178.488 176.870 -0.303 0.000 1.078 824 L CA 1.360 56.079 54.840 -0.202 0.000 0.749 824 L CB -0.564 41.483 42.059 -0.021 0.000 0.901 824 L HN 0.105 nan 8.230 nan 0.000 0.433 825 F N 0.058 119.594 119.950 -0.690 0.000 2.250 825 F HA -0.235 4.296 4.527 0.007 0.000 0.301 825 F C 2.427 177.956 175.800 -0.452 0.000 1.077 825 F CA 1.933 59.429 58.000 -0.840 0.000 1.348 825 F CB -0.010 38.310 39.000 -1.134 0.000 1.040 825 F HN 0.102 nan 8.300 nan 0.000 0.509 826 K N -0.410 119.839 120.400 -0.252 0.000 2.202 826 K HA 0.119 4.444 4.320 0.007 0.000 0.201 826 K C 2.201 178.757 176.600 -0.074 0.000 1.051 826 K CA 0.746 56.945 56.287 -0.146 0.000 0.977 826 K CB -0.116 32.347 32.500 -0.061 0.000 0.792 826 K HN 0.199 nan 8.250 nan 0.000 0.469 827 A N 1.271 124.063 122.820 -0.046 0.000 1.902 827 A HA -0.115 4.209 4.320 0.007 0.000 0.217 827 A C 2.158 179.717 177.584 -0.042 0.000 1.181 827 A CA 1.777 53.912 52.037 0.163 0.000 0.623 827 A CB -0.868 18.272 19.000 0.233 0.000 0.818 827 A HN 0.245 nan 8.150 nan 0.000 0.443 828 V N -1.992 117.773 119.914 -0.247 0.000 2.469 828 V HA -0.245 3.880 4.120 0.007 0.000 0.251 828 V C 2.272 178.193 176.094 -0.289 0.000 1.064 828 V CA 1.958 64.016 62.300 -0.403 0.000 1.066 828 V CB -1.011 30.493 31.823 -0.533 0.000 0.667 828 V HN 0.468 nan 8.190 nan 0.000 0.461 829 R N 0.750 121.098 120.500 -0.253 0.000 2.055 829 R HA -0.004 4.340 4.340 0.007 0.000 0.226 829 R C 2.327 178.517 176.300 -0.183 0.000 1.135 829 R CA 1.672 57.651 56.100 -0.202 0.000 0.959 829 R CB -0.727 29.450 30.300 -0.205 0.000 0.854 829 R HN 0.658 nan 8.270 nan 0.000 0.431 830 E N 0.233 120.331 120.200 -0.171 0.000 2.097 830 E HA -0.185 4.170 4.350 0.007 0.000 0.196 830 E C 1.894 178.180 176.600 -0.523 0.000 1.000 830 E CA 1.783 58.039 56.400 -0.241 0.000 0.804 830 E CB -0.204 29.469 29.700 -0.045 0.000 0.740 830 E HN 0.246 nan 8.360 nan 0.000 0.454 831 T N 0.085 114.261 114.554 -0.631 0.000 2.867 831 T HA -0.100 4.255 4.350 0.007 0.000 0.268 831 T C 1.733 176.181 174.700 -0.420 0.000 1.057 831 T CA 0.947 62.615 62.100 -0.719 0.000 1.136 831 T CB -0.038 68.469 68.868 -0.602 0.000 0.874 831 T HN 0.096 nan 8.240 nan 0.000 0.466 832 M N 0.012 119.475 119.600 -0.228 0.000 2.288 832 M HA 0.065 4.549 4.480 0.007 0.000 0.266 832 M C 1.867 178.203 176.300 0.059 0.000 1.072 832 M CA 1.039 56.366 55.300 0.045 0.000 1.132 832 M CB 0.177 32.879 32.600 0.171 0.000 1.386 832 M HN 0.115 nan 8.290 nan 0.000 0.432 833 V N 0.191 120.061 119.914 -0.074 0.000 2.970 833 V HA -0.190 3.934 4.120 0.007 0.000 0.260 833 V C 1.634 177.648 176.094 -0.133 0.000 1.100 833 V CA 1.715 63.978 62.300 -0.061 0.000 1.122 833 V CB -0.759 31.013 31.823 -0.086 0.000 0.721 833 V HN 0.485 nan 8.190 nan 0.000 0.483 834 D N 0.521 120.762 120.400 -0.265 0.000 2.162 834 D HA -0.111 4.533 4.640 0.007 0.000 0.203 834 D C 2.258 178.374 176.300 -0.307 0.000 0.967 834 D CA 1.659 55.468 54.000 -0.319 0.000 0.840 834 D CB 0.054 40.539 40.800 -0.524 0.000 0.972 834 D HN 0.515 nan 8.370 nan 0.000 0.482 835 T N -1.942 112.352 114.554 -0.432 0.000 2.812 835 T HA -0.076 4.278 4.350 0.007 0.000 0.264 835 T C 0.375 174.672 174.700 -0.671 0.000 1.042 835 T CA 0.830 62.520 62.100 -0.682 0.000 1.140 835 T CB -0.416 67.760 68.868 -1.153 0.000 0.870 835 T HN 0.176 nan 8.240 nan 0.000 0.445 836 Y N 2.597 122.872 120.300 -0.043 0.000 2.332 836 Y HA 0.526 5.080 4.550 0.008 0.000 0.326 836 Y C 0.454 176.325 175.900 -0.049 0.000 0.978 836 Y CA -1.798 56.284 58.100 -0.030 0.000 1.205 836 Y CB 0.902 39.352 38.460 -0.017 0.000 1.131 836 Y HN 0.109 nan 8.280 nan 0.000 0.462 837 E N 0.962 121.206 120.200 0.074 0.000 3.136 837 E HA 0.282 4.636 4.350 0.007 0.000 0.271 837 E C 0.188 176.766 176.600 -0.036 0.000 1.454 837 E CA 0.288 56.714 56.400 0.044 0.000 1.194 837 E CB 0.967 30.679 29.700 0.021 0.000 1.175 837 E HN 0.667 nan 8.360 nan 0.000 0.726 838 S N -2.643 113.036 115.700 -0.035 0.000 1.801 838 S HA -0.123 4.351 4.470 0.007 0.000 0.248 838 S C 0.049 174.617 174.600 -0.055 0.000 1.284 838 S CA 0.272 58.433 58.200 -0.065 0.000 1.132 838 S CB -1.484 61.641 63.200 -0.126 0.000 1.420 838 S HN 0.606 nan 8.310 nan 0.000 0.604 839 C N 1.169 120.451 119.300 -0.030 0.000 4.214 839 C HA 0.226 4.691 4.460 0.007 0.000 0.336 839 C C -0.448 174.590 174.990 0.080 0.000 2.348 839 C CA 0.102 59.125 59.018 0.009 0.000 1.505 839 C CB -0.095 27.625 27.740 -0.034 0.000 2.638 839 C HN 0.741 nan 8.230 nan 0.000 0.514 840 D N 1.276 121.737 120.400 0.102 0.000 3.061 840 D HA -0.138 4.506 4.640 0.007 0.000 0.203 840 D C 1.374 177.812 176.300 0.231 0.000 1.245 840 D CA 1.043 55.139 54.000 0.161 0.000 0.812 840 D CB -0.184 40.675 40.800 0.099 0.000 0.857 840 D HN 0.639 nan 8.370 nan 0.000 0.387 841 V N 0.411 120.524 119.914 0.331 0.000 2.242 841 V HA -0.398 3.727 4.120 0.007 0.000 0.257 841 V C 2.540 178.913 176.094 0.466 0.000 1.073 841 V CA 2.025 64.549 62.300 0.373 0.000 1.058 841 V CB -0.907 31.170 31.823 0.423 0.000 0.664 841 V HN 0.422 nan 8.190 nan 0.000 0.451 842 L N 0.980 122.418 121.223 0.359 0.000 2.017 842 L HA -0.022 4.323 4.340 0.007 0.000 0.208 842 L C 2.897 179.928 176.870 0.267 0.000 1.073 842 L CA 2.510 57.533 54.840 0.304 0.000 0.745 842 L CB -1.107 40.966 42.059 0.024 0.000 0.894 842 L HN 0.434 nan 8.230 nan 0.000 0.432 843 A N -1.007 121.913 122.820 0.166 0.000 1.930 843 A HA -0.236 4.088 4.320 0.007 0.000 0.217 843 A C 2.131 179.861 177.584 0.244 0.000 1.175 843 A CA 1.783 53.903 52.037 0.137 0.000 0.627 843 A CB -0.632 18.407 19.000 0.064 0.000 0.815 843 A HN 0.437 nan 8.150 nan 0.000 0.443 844 D N -1.161 119.402 120.400 0.272 0.000 2.144 844 D HA -0.143 4.501 4.640 0.007 0.000 0.200 844 D C 1.620 178.158 176.300 0.397 0.000 0.978 844 D CA 1.140 55.304 54.000 0.273 0.000 0.833 844 D CB -0.307 40.633 40.800 0.233 0.000 0.961 844 D HN 0.338 nan 8.370 nan 0.000 0.470 845 F N 0.149 120.365 119.950 0.442 0.000 2.186 845 F HA -0.133 4.398 4.527 0.007 0.000 0.299 845 F C 2.071 178.212 175.800 0.568 0.000 1.090 845 F CA 1.040 59.468 58.000 0.713 0.000 1.307 845 F CB -0.893 38.948 39.000 1.401 0.000 1.019 845 F HN 0.014 nan 8.300 nan 0.000 0.489 846 Y N 1.115 121.494 120.300 0.131 0.000 2.224 846 Y HA -0.215 4.339 4.550 0.007 0.000 0.289 846 Y C 1.997 177.584 175.900 -0.521 0.000 1.146 846 Y CA 2.044 59.944 58.100 -0.334 0.000 1.182 846 Y CB -0.533 37.884 38.460 -0.070 0.000 0.983 846 Y HN 0.025 nan 8.280 nan 0.000 0.524 847 D N -0.273 120.035 120.400 -0.154 0.000 2.219 847 D HA -0.161 4.483 4.640 0.007 0.000 0.205 847 D C 1.995 178.197 176.300 -0.163 0.000 0.970 847 D CA 0.885 54.789 54.000 -0.160 0.000 0.851 847 D CB -0.177 40.643 40.800 0.033 0.000 0.943 847 D HN 0.458 nan 8.370 nan 0.000 0.488 848 Q N -0.258 119.496 119.800 -0.076 0.000 2.079 848 Q HA -0.084 4.260 4.340 0.007 0.000 0.200 848 Q C 1.626 177.668 176.000 0.070 0.000 0.974 848 Q CA 0.768 56.623 55.803 0.088 0.000 0.840 848 Q CB -0.252 28.654 28.738 0.281 0.000 0.898 848 Q HN 0.550 nan 8.270 nan 0.000 0.430 849 F N -2.032 117.825 119.950 -0.155 0.000 2.684 849 F HA 0.647 5.178 4.527 0.008 0.000 0.298 849 F C 1.405 177.045 175.800 -0.267 0.000 1.120 849 F CA -0.374 57.521 58.000 -0.176 0.000 1.332 849 F CB -0.485 38.379 39.000 -0.227 0.000 0.986 849 F HN -0.090 nan 8.300 nan 0.000 0.524 850 A N 1.110 123.569 122.820 -0.603 0.000 1.861 850 A HA -0.352 3.972 4.320 0.007 0.000 0.248 850 A C 1.867 179.190 177.584 -0.434 0.000 2.075 850 A CA 2.889 54.508 52.037 -0.697 0.000 0.818 850 A CB -1.240 17.528 19.000 -0.387 0.000 0.844 850 A HN 0.667 nan 8.150 nan 0.000 0.498 851 D N -5.239 115.061 120.400 -0.167 0.000 2.115 851 D HA -0.126 4.518 4.640 0.007 0.000 0.255 851 D C 1.290 177.587 176.300 -0.005 0.000 0.737 851 D CA 1.493 55.442 54.000 -0.086 0.000 1.494 851 D CB -1.580 39.155 40.800 -0.109 0.000 1.394 851 D HN 0.312 nan 8.370 nan 0.000 0.738 852 Q N 0.734 120.557 119.800 0.039 0.000 2.389 852 Q HA 0.359 4.703 4.340 0.007 0.000 0.204 852 Q C 0.464 176.524 176.000 0.101 0.000 0.944 852 Q CA 0.357 56.218 55.803 0.096 0.000 0.908 852 Q CB 0.182 29.012 28.738 0.154 0.000 1.002 852 Q HN 0.451 nan 8.270 nan 0.000 0.493 853 L N 0.750 122.033 121.223 0.100 0.000 2.456 853 L HA -0.010 4.335 4.340 0.007 0.000 0.272 853 L C 1.667 178.595 176.870 0.095 0.000 1.189 853 L CA -0.043 54.856 54.840 0.098 0.000 0.846 853 L CB 0.450 42.566 42.059 0.094 0.000 1.111 853 L HN 0.332 nan 8.230 nan 0.000 0.475 854 H N 3.281 122.364 119.070 0.022 0.000 2.435 854 H HA 0.148 4.708 4.556 0.007 0.000 0.309 854 H C 0.097 175.436 175.328 0.019 0.000 1.041 854 H CA 1.161 57.219 56.048 0.017 0.000 1.277 854 H CB 0.720 30.489 29.762 0.012 0.000 1.455 854 H HN 0.703 nan 8.280 nan 0.000 0.581 855 E N -1.004 118.986 120.200 -0.350 0.000 2.412 855 E HA 0.062 4.416 4.350 0.007 0.000 0.283 855 E C -0.581 175.986 176.600 -0.056 0.000 1.160 855 E CA 0.487 56.684 56.400 -0.339 0.000 0.918 855 E CB 0.587 29.911 29.700 -0.626 0.000 1.194 855 E HN 0.601 nan 8.360 nan 0.000 0.428 856 S N 1.289 116.982 115.700 -0.011 0.000 3.587 856 S HA -0.321 4.153 4.470 0.007 0.000 0.337 856 S C 0.537 175.179 174.600 0.070 0.000 1.119 856 S CA 2.044 60.271 58.200 0.045 0.000 0.976 856 S CB -1.490 61.752 63.200 0.069 0.000 0.922 856 S HN 0.689 nan 8.310 nan 0.000 0.503 857 Q N -0.547 119.290 119.800 0.063 0.000 2.360 857 Q HA 0.283 4.627 4.340 0.007 0.000 0.261 857 Q C 1.913 177.944 176.000 0.053 0.000 0.802 857 Q CA 0.172 56.012 55.803 0.063 0.000 0.983 857 Q CB 0.022 28.813 28.738 0.088 0.000 1.211 857 Q HN 0.661 nan 8.270 nan 0.000 0.523 858 L N 0.986 122.244 121.223 0.058 0.000 2.362 858 L HA -0.033 4.311 4.340 0.007 0.000 0.219 858 L C 1.279 178.197 176.870 0.079 0.000 1.134 858 L CA 1.496 56.385 54.840 0.082 0.000 0.807 858 L CB -1.373 40.736 42.059 0.083 0.000 0.927 858 L HN 0.290 nan 8.230 nan 0.000 0.447 859 D N 1.088 121.521 120.400 0.056 0.000 2.347 859 D HA -0.170 4.474 4.640 0.007 0.000 0.215 859 D C 1.272 177.602 176.300 0.050 0.000 0.976 859 D CA 0.703 54.733 54.000 0.050 0.000 0.884 859 D CB -0.058 40.763 40.800 0.036 0.000 0.915 859 D HN 0.431 nan 8.370 nan 0.000 0.526 860 K N -0.706 119.722 120.400 0.048 0.000 2.399 860 K HA 0.219 4.543 4.320 0.007 0.000 0.204 860 K C 0.590 177.215 176.600 0.042 0.000 1.023 860 K CA -0.304 56.005 56.287 0.038 0.000 1.127 860 K CB 0.738 33.250 32.500 0.021 0.000 0.856 860 K HN 0.006 nan 8.250 nan 0.000 0.514 861 M N 2.885 122.530 119.600 0.075 0.000 2.386 861 M HA 0.295 4.779 4.480 0.007 0.000 0.245 861 M C -2.982 173.463 176.300 0.242 0.000 0.982 861 M CA -2.041 53.318 55.300 0.099 0.000 0.860 861 M CB 0.678 33.325 32.600 0.078 0.000 1.371 861 M HN -0.138 nan 8.290 nan 0.000 0.425 862 P HA 0.619 nan 4.420 nan 0.000 0.300 862 P C -1.110 176.500 177.300 0.517 0.000 1.326 862 P CA -0.146 63.126 63.100 0.286 0.000 0.844 862 P CB 1.299 33.085 31.700 0.144 0.000 0.992 863 A N 2.202 125.202 122.820 0.299 0.000 2.203 863 A HA 0.032 4.356 4.320 0.007 0.000 0.335 863 A C -1.052 176.500 177.584 -0.052 0.000 1.146 863 A CA -0.179 51.876 52.037 0.031 0.000 0.628 863 A CB -2.143 17.001 19.000 0.240 0.000 1.787 863 A HN 0.616 nan 8.150 nan 0.000 0.321 864 L N 3.728 124.857 121.223 -0.156 0.000 2.526 864 L HA 0.699 5.043 4.340 0.007 0.000 0.263 864 L C -2.390 174.332 176.870 -0.247 0.000 0.943 864 L CA -1.947 52.699 54.840 -0.324 0.000 0.859 864 L CB 2.252 44.064 42.059 -0.411 0.000 1.313 864 L HN 0.414 nan 8.230 nan 0.000 0.406 865 P HA 0.113 nan 4.420 nan 0.000 0.258 865 P C -0.786 176.422 177.300 -0.153 0.000 1.187 865 P CA 0.109 63.102 63.100 -0.177 0.000 0.767 865 P CB 0.590 32.185 31.700 -0.174 0.000 0.770 866 A N 3.889 126.640 122.820 -0.116 0.000 2.371 866 A HA 0.317 4.641 4.320 0.007 0.000 0.257 866 A C 0.286 177.820 177.584 -0.083 0.000 1.089 866 A CA -0.313 51.666 52.037 -0.097 0.000 0.794 866 A CB 0.208 19.160 19.000 -0.080 0.000 1.029 866 A HN 0.343 nan 8.150 nan 0.000 0.488 867 K N 1.200 121.556 120.400 -0.074 0.000 2.270 867 K HA 0.459 4.783 4.320 0.007 0.000 0.276 867 K C 1.004 177.571 176.600 -0.055 0.000 1.023 867 K CA 0.894 57.144 56.287 -0.062 0.000 0.955 867 K CB 1.038 33.507 32.500 -0.052 0.000 0.975 867 K HN 0.807 nan 8.250 nan 0.000 0.471 868 G N 1.208 109.975 108.800 -0.054 0.000 2.783 868 G HA2 0.043 4.007 3.960 0.007 0.000 0.182 868 G HA3 0.043 4.007 3.960 0.007 0.000 0.182 868 G C -0.368 174.507 174.900 -0.042 0.000 1.516 868 G CA -0.508 44.562 45.100 -0.049 0.000 1.079 868 G HN 0.737 nan 8.290 nan 0.000 0.573 869 N N -0.744 117.932 118.700 -0.040 0.000 2.480 869 N HA 0.257 5.001 4.740 0.007 0.000 0.281 869 N C -0.732 174.758 175.510 -0.033 0.000 1.381 869 N CA -0.358 52.671 53.050 -0.034 0.000 0.903 869 N CB 0.936 39.405 38.487 -0.031 0.000 1.274 869 N HN 0.163 nan 8.380 nan 0.000 0.505 870 L N 1.177 122.377 121.223 -0.038 0.000 2.290 870 L HA 0.357 4.701 4.340 0.007 0.000 0.284 870 L C -0.192 176.659 176.870 -0.033 0.000 1.078 870 L CA -0.424 54.393 54.840 -0.038 0.000 0.815 870 L CB 0.580 42.611 42.059 -0.048 0.000 1.162 870 L HN 0.068 nan 8.230 nan 0.000 0.435 871 N N 4.142 122.825 118.700 -0.029 0.000 2.406 871 N HA 0.153 4.897 4.740 0.007 0.000 0.251 871 N C 0.748 176.241 175.510 -0.029 0.000 1.069 871 N CA 0.028 53.063 53.050 -0.025 0.000 0.947 871 N CB 0.593 39.069 38.487 -0.019 0.000 1.111 871 N HN 0.754 nan 8.380 nan 0.000 0.497 872 L N 2.666 123.872 121.223 -0.028 0.000 2.191 872 L HA -0.050 4.294 4.340 0.007 0.000 0.212 872 L C 2.134 178.982 176.870 -0.036 0.000 1.103 872 L CA 0.672 55.492 54.840 -0.033 0.000 0.769 872 L CB -0.151 41.893 42.059 -0.024 0.000 0.908 872 L HN 0.458 nan 8.230 nan 0.000 0.438 873 R N 0.039 120.522 120.500 -0.028 0.000 2.189 873 R HA -0.096 4.248 4.340 0.007 0.000 0.218 873 R C 1.397 177.683 176.300 -0.023 0.000 1.074 873 R CA 0.829 56.914 56.100 -0.024 0.000 0.991 873 R CB -0.517 29.774 30.300 -0.015 0.000 0.883 873 R HN 0.378 nan 8.270 nan 0.000 0.457 874 D N 0.701 121.088 120.400 -0.023 0.000 2.263 874 D HA -0.079 4.565 4.640 0.007 0.000 0.208 874 D C 1.840 178.125 176.300 -0.025 0.000 0.971 874 D CA 0.638 54.628 54.000 -0.018 0.000 0.867 874 D CB -0.116 40.674 40.800 -0.017 0.000 0.929 874 D HN 0.249 nan 8.370 nan 0.000 0.492 875 I N 0.340 120.884 120.570 -0.044 0.000 2.226 875 I HA -0.237 3.938 4.170 0.007 0.000 0.245 875 I C 2.208 178.278 176.117 -0.079 0.000 1.100 875 I CA 0.686 61.946 61.300 -0.068 0.000 1.374 875 I CB -0.237 37.709 38.000 -0.091 0.000 1.057 875 I HN -0.014 nan 8.210 nan 0.000 0.413 876 L N 0.347 121.533 121.223 -0.061 0.000 2.127 876 L HA -0.190 4.154 4.340 0.007 0.000 0.211 876 L C 2.253 179.136 176.870 0.022 0.000 1.089 876 L CA 1.133 55.949 54.840 -0.040 0.000 0.757 876 L CB -0.534 41.516 42.059 -0.014 0.000 0.899 876 L HN 0.294 nan 8.230 nan 0.000 0.434 877 E N -0.837 119.376 120.200 0.021 0.000 2.447 877 E HA 0.045 4.400 4.350 0.007 0.000 0.195 877 E C 0.861 177.491 176.600 0.051 0.000 1.028 877 E CA 0.102 56.528 56.400 0.044 0.000 0.876 877 E CB 0.276 29.991 29.700 0.025 0.000 0.885 877 E HN 0.141 nan 8.360 nan 0.000 0.500 878 S N 1.790 117.509 115.700 0.031 0.000 2.455 878 S HA 0.031 4.505 4.470 0.007 0.000 0.278 878 S C 0.510 175.170 174.600 0.100 0.000 1.216 878 S CA -0.494 57.722 58.200 0.026 0.000 1.055 878 S CB 0.494 63.691 63.200 -0.006 0.000 0.939 878 S HN -0.085 nan 8.310 nan 0.000 0.494 879 D N 4.161 124.589 120.400 0.047 0.000 2.162 879 D HA 0.016 4.661 4.640 0.007 0.000 0.203 879 D C 0.718 177.211 176.300 0.321 0.000 0.967 879 D CA 1.164 55.442 54.000 0.463 0.000 0.840 879 D CB -0.068 40.770 40.800 0.063 0.000 0.972 879 D HN 0.685 nan 8.370 nan 0.000 0.482 880 F N 0.435 120.333 119.950 -0.087 0.000 2.660 880 F HA 0.371 4.902 4.527 0.008 0.000 0.302 880 F C 1.003 176.480 175.800 -0.539 0.000 1.103 880 F CA -0.519 57.107 58.000 -0.623 0.000 1.340 880 F CB -0.131 38.572 39.000 -0.494 0.000 1.048 880 F HN -0.205 nan 8.300 nan 0.000 0.551 881 A N -0.196 122.541 122.820 -0.139 0.000 3.095 881 A HA 0.395 4.719 4.320 0.007 0.000 0.301 881 A C 0.682 178.269 177.584 0.005 0.000 1.432 881 A CA -0.420 51.577 52.037 -0.067 0.000 1.140 881 A CB -1.268 17.704 19.000 -0.046 0.000 1.174 881 A HN 0.300 nan 8.150 nan 0.000 0.546 882 F N 0.724 120.895 119.950 0.368 0.000 2.271 882 F HA -0.043 4.487 4.527 0.006 0.000 0.302 882 F C 1.535 177.507 175.800 0.286 0.000 1.063 882 F CA 1.532 59.836 58.000 0.506 0.000 1.362 882 F CB -0.253 39.136 39.000 0.648 0.000 1.060 882 F HN 0.514 nan 8.300 nan 0.000 0.521 883 A N 0.000 123.027 122.820 0.345 0.000 2.254 883 A HA 0.000 4.324 4.320 0.007 0.000 0.244 883 A CA 0.000 52.191 52.037 0.256 0.000 0.836 883 A CB 0.000 19.275 19.000 0.458 0.000 0.831 883 A HN 0.000 nan 8.150 nan 0.000 0.486