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 3e2e_1_A DATA FIRST_RESID 8 DATA SEQUENCE KNDFSDIELA AIPFNTLADH YGERLAREQL ALEHESYEMG EARFRKMFER DATA SEQUENCE XXXXXXXXXX XXXXXLITTL LPKMIARIND WFEEVKAKRG KRPTAFQFLQ DATA SEQUENCE EIKPEAVAYI TIKTTLACLT SADNTTVQAV ASAIGRAIED EARFGRIRDL DATA SEQUENCE EAKHFKKNVX XXXXXXXXXX YKKAFMQVVE ADMLSKGLLG GEAWSSWHKE DATA SEQUENCE DSIHVGVRCI EMLIESTGMV SLHRQNAGVV GQDSETIELA PEYAEAIXXX DATA SEQUENCE XXXXXXISLM FQPCVVPPKP WTGITGGGYW ANGRRPLALV RTHSKKALMR DATA SEQUENCE YEDVYMPEVY KAINIAQNTA WKINKKVLAV ANVITKWKHC PVEDIPAIER DATA SEQUENCE EELPMKPXXX 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 0.000 176.757 176.600 0.262 0.000 0.988 8 K CA 0.000 56.457 56.287 0.284 0.000 0.838 8 K CB 0.000 32.590 32.500 0.150 0.000 1.064 9 N N 2.079 120.871 118.700 0.153 0.000 2.443 9 N HA -0.102 4.639 4.740 0.001 0.000 0.184 9 N C 0.428 175.990 175.510 0.087 0.000 1.037 9 N CA 1.324 54.435 53.050 0.102 0.000 0.896 9 N CB -0.022 38.501 38.487 0.061 0.000 0.959 9 N HN 0.298 nan 8.380 nan 0.000 0.442 10 D N -0.562 119.886 120.400 0.080 0.000 2.323 10 D HA 0.012 4.653 4.640 0.001 0.000 0.209 10 D C 0.248 176.489 176.300 -0.098 0.000 0.973 10 D CA 0.220 54.196 54.000 -0.041 0.000 0.874 10 D CB 0.025 40.748 40.800 -0.128 0.000 0.930 10 D HN 0.143 nan 8.370 nan 0.000 0.521 11 F N 0.765 120.729 119.950 0.023 0.000 2.380 11 F HA 0.147 4.675 4.527 0.001 0.000 0.325 11 F C 1.390 177.204 175.800 0.023 0.000 1.136 11 F CA -0.573 57.443 58.000 0.027 0.000 1.171 11 F CB 0.858 39.881 39.000 0.037 0.000 1.230 11 F HN -0.347 nan 8.300 nan 0.000 0.554 12 S N 0.534 116.374 115.700 0.235 0.000 2.603 12 S HA 0.066 4.537 4.470 0.001 0.000 0.268 12 S C 0.839 175.518 174.600 0.131 0.000 1.317 12 S CA -0.706 57.575 58.200 0.135 0.000 1.012 12 S CB 0.662 63.923 63.200 0.102 0.000 0.926 12 S HN 0.605 nan 8.310 nan 0.000 0.539 13 D N 1.901 122.349 120.400 0.080 0.000 2.178 13 D HA -0.066 4.575 4.640 0.001 0.000 0.202 13 D C 1.900 178.240 176.300 0.066 0.000 0.974 13 D CA 0.937 54.976 54.000 0.064 0.000 0.841 13 D CB -0.113 40.708 40.800 0.034 0.000 0.953 13 D HN 0.477 nan 8.370 nan 0.000 0.478 14 I N 1.163 121.769 120.570 0.061 0.000 2.179 14 I HA -0.208 3.963 4.170 0.001 0.000 0.242 14 I C 2.127 178.296 176.117 0.088 0.000 1.088 14 I CA 1.253 62.587 61.300 0.058 0.000 1.357 14 I CB -0.971 37.056 38.000 0.046 0.000 1.051 14 I HN 0.119 nan 8.210 nan 0.000 0.409 15 E N 0.726 120.995 120.200 0.114 0.000 2.072 15 E HA -0.156 4.195 4.350 0.001 0.000 0.191 15 E C 2.384 179.027 176.600 0.072 0.000 0.985 15 E CA 0.860 57.342 56.400 0.136 0.000 0.801 15 E CB -0.131 29.728 29.700 0.265 0.000 0.750 15 E HN 0.417 nan 8.360 nan 0.000 0.452 16 L N 0.264 121.529 121.223 0.071 0.000 2.275 16 L HA -0.116 4.225 4.340 0.001 0.000 0.215 16 L C 2.287 179.193 176.870 0.061 0.000 1.119 16 L CA 0.663 55.517 54.840 0.025 0.000 0.790 16 L CB -0.195 41.901 42.059 0.062 0.000 0.919 16 L HN 0.149 nan 8.230 nan 0.000 0.443 17 A N -0.747 122.130 122.820 0.094 0.000 2.044 17 A HA 0.222 4.542 4.320 0.001 0.000 0.213 17 A C 2.370 180.052 177.584 0.164 0.000 1.169 17 A CA 0.962 53.079 52.037 0.135 0.000 0.724 17 A CB -0.173 18.905 19.000 0.129 0.000 0.840 17 A HN 0.311 nan 8.150 nan 0.000 0.463 18 A N -0.023 122.886 122.820 0.149 0.000 1.943 18 A HA 0.179 4.500 4.320 0.001 0.000 0.213 18 A C 1.970 179.612 177.584 0.097 0.000 1.181 18 A CA 0.870 53.001 52.037 0.158 0.000 0.653 18 A CB -0.460 18.647 19.000 0.178 0.000 0.833 18 A HN 0.387 nan 8.150 nan 0.000 0.451 19 I N 0.392 120.994 120.570 0.053 0.000 2.151 19 I HA -0.198 3.972 4.170 0.001 0.000 0.243 19 I C -0.606 175.532 176.117 0.034 0.000 1.080 19 I CA 1.633 62.941 61.300 0.015 0.000 1.339 19 I CB -1.066 36.883 38.000 -0.086 0.000 1.039 19 I HN 0.216 nan 8.210 nan 0.000 0.409 20 P HA -0.216 nan 4.420 nan 0.000 0.215 20 P C 1.727 179.041 177.300 0.024 0.000 1.157 20 P CA 1.501 64.671 63.100 0.116 0.000 0.868 20 P CB -0.137 31.667 31.700 0.174 0.000 0.788 21 F N 0.923 120.773 119.950 -0.167 0.000 2.069 21 F HA -0.236 4.292 4.527 0.001 0.000 0.298 21 F C 1.838 177.544 175.800 -0.157 0.000 1.113 21 F CA 1.867 59.719 58.000 -0.247 0.000 1.214 21 F CB -1.179 37.459 39.000 -0.604 0.000 0.978 21 F HN -0.140 nan 8.300 nan 0.000 0.474 22 N N -0.759 117.914 118.700 -0.045 0.000 2.043 22 N HA -0.225 4.516 4.740 0.001 0.000 0.193 22 N C 1.777 177.190 175.510 -0.162 0.000 1.037 22 N CA 2.304 55.298 53.050 -0.094 0.000 0.851 22 N CB -0.477 38.037 38.487 0.046 0.000 1.027 22 N HN 0.478 nan 8.380 nan 0.000 0.422 23 T N -0.812 113.681 114.554 -0.102 0.000 2.915 23 T HA -0.050 4.301 4.350 0.001 0.000 0.269 23 T C 1.742 176.329 174.700 -0.187 0.000 1.071 23 T CA 0.598 62.657 62.100 -0.068 0.000 1.132 23 T CB -0.161 68.707 68.868 -0.002 0.000 0.878 23 T HN 0.004 nan 8.240 nan 0.000 0.479 24 L N 1.082 122.102 121.223 -0.339 0.000 2.162 24 L HA 0.499 4.840 4.340 0.001 0.000 0.205 24 L C 2.800 179.465 176.870 -0.340 0.000 1.086 24 L CA 1.232 55.816 54.840 -0.426 0.000 0.778 24 L CB -0.999 40.755 42.059 -0.508 0.000 0.928 24 L HN 0.377 nan 8.230 nan 0.000 0.446 25 A N -1.364 121.167 122.820 -0.481 0.000 2.067 25 A HA -0.101 4.220 4.320 0.001 0.000 0.217 25 A C 1.789 179.196 177.584 -0.295 0.000 1.156 25 A CA 1.353 53.110 52.037 -0.467 0.000 0.683 25 A CB -0.385 18.165 19.000 -0.750 0.000 0.808 25 A HN 0.398 nan 8.150 nan 0.000 0.455 26 D N -1.214 119.025 120.400 -0.268 0.000 2.183 26 D HA -0.034 4.607 4.640 0.001 0.000 0.205 26 D C 1.703 177.776 176.300 -0.377 0.000 0.962 26 D CA 0.987 54.826 54.000 -0.269 0.000 0.849 26 D CB -0.315 40.342 40.800 -0.238 0.000 0.978 26 D HN 0.580 nan 8.370 nan 0.000 0.488 27 H N -1.306 117.473 119.070 -0.485 0.000 2.415 27 H HA 0.018 4.575 4.556 0.001 0.000 0.297 27 H C 0.751 175.638 175.328 -0.734 0.000 1.048 27 H CA 0.916 56.518 56.048 -0.745 0.000 1.365 27 H CB 0.436 29.462 29.762 -1.226 0.000 1.421 27 H HN 0.250 nan 8.280 nan 0.000 0.533 28 Y N -0.318 119.956 120.300 -0.042 0.000 2.588 28 Y HA 0.376 4.927 4.550 0.001 0.000 0.247 28 Y C 1.205 177.048 175.900 -0.094 0.000 1.157 28 Y CA 0.160 58.241 58.100 -0.031 0.000 1.215 28 Y CB 0.901 39.336 38.460 -0.042 0.000 1.245 28 Y HN 0.205 nan 8.280 nan 0.000 0.534 29 G N 1.625 110.388 108.800 -0.060 0.000 2.712 29 G HA2 -0.226 3.734 3.960 0.001 0.000 0.686 29 G HA3 -0.226 3.734 3.960 0.001 0.000 0.686 29 G C 0.635 175.448 174.900 -0.145 0.000 1.321 29 G CA -0.121 44.915 45.100 -0.107 0.000 0.813 29 G HN 0.439 nan 8.290 nan 0.000 0.599 30 E N 0.233 120.345 120.200 -0.146 0.000 2.285 30 E HA -0.039 4.312 4.350 0.001 0.000 0.194 30 E C 2.249 178.841 176.600 -0.013 0.000 0.997 30 E CA 0.876 57.191 56.400 -0.142 0.000 0.845 30 E CB 0.066 29.762 29.700 -0.008 0.000 0.782 30 E HN 0.649 nan 8.360 nan 0.000 0.491 31 R N 1.050 121.528 120.500 -0.037 0.000 2.097 31 R HA -0.095 4.246 4.340 0.001 0.000 0.236 31 R C 2.509 178.813 176.300 0.005 0.000 1.135 31 R CA 1.837 57.921 56.100 -0.027 0.000 0.934 31 R CB -0.521 29.704 30.300 -0.126 0.000 0.846 31 R HN 0.211 nan 8.270 nan 0.000 0.431 32 L N 0.133 121.344 121.223 -0.020 0.000 2.240 32 L HA 0.007 4.348 4.340 0.001 0.000 0.211 32 L C 2.636 179.517 176.870 0.019 0.000 1.106 32 L CA 0.584 55.437 54.840 0.023 0.000 0.793 32 L CB -0.539 41.540 42.059 0.034 0.000 0.927 32 L HN 0.281 nan 8.230 nan 0.000 0.446 33 A N 0.579 123.379 122.820 -0.034 0.000 1.933 33 A HA -0.200 4.120 4.320 0.001 0.000 0.218 33 A C 2.424 180.104 177.584 0.161 0.000 1.175 33 A CA 1.419 53.405 52.037 -0.086 0.000 0.628 33 A CB -0.363 18.372 19.000 -0.442 0.000 0.814 33 A HN 0.326 nan 8.150 nan 0.000 0.444 34 R N -0.895 119.769 120.500 0.273 0.000 2.062 34 R HA -0.099 4.241 4.340 0.001 0.000 0.229 34 R C 2.330 178.762 176.300 0.219 0.000 1.128 34 R CA 1.374 57.697 56.100 0.372 0.000 0.960 34 R CB -0.338 30.172 30.300 0.351 0.000 0.855 34 R HN 0.759 nan 8.270 nan 0.000 0.432 35 E N 0.741 121.024 120.200 0.137 0.000 2.085 35 E HA -0.289 4.061 4.350 0.001 0.000 0.194 35 E C 2.057 178.697 176.600 0.067 0.000 0.994 35 E CA 1.363 57.815 56.400 0.086 0.000 0.801 35 E CB 0.148 29.922 29.700 0.123 0.000 0.743 35 E HN 0.104 nan 8.360 nan 0.000 0.453 36 Q N 0.609 120.463 119.800 0.091 0.000 2.050 36 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 36 Q C 2.121 178.171 176.000 0.083 0.000 0.980 36 Q CA 1.602 57.461 55.803 0.094 0.000 0.840 36 Q CB -0.246 28.525 28.738 0.054 0.000 0.898 36 Q HN 0.384 nan 8.270 nan 0.000 0.424 37 L N -0.428 120.871 121.223 0.126 0.000 2.027 37 L HA -0.100 4.241 4.340 0.001 0.000 0.206 37 L C 2.421 179.263 176.870 -0.046 0.000 1.074 37 L CA 1.002 55.968 54.840 0.210 0.000 0.745 37 L CB -0.798 41.534 42.059 0.455 0.000 0.898 37 L HN 0.302 nan 8.230 nan 0.000 0.433 38 A N -0.163 122.356 122.820 -0.502 0.000 1.940 38 A HA -0.225 4.096 4.320 0.001 0.000 0.219 38 A C 2.214 179.524 177.584 -0.457 0.000 1.176 38 A CA 1.673 53.019 52.037 -1.151 0.000 0.631 38 A CB -0.639 17.855 19.000 -0.844 0.000 0.814 38 A HN 0.299 nan 8.150 nan 0.000 0.446 39 L N -0.293 120.808 121.223 -0.203 0.000 2.109 39 L HA -0.098 4.243 4.340 0.001 0.000 0.207 39 L C 2.330 179.127 176.870 -0.121 0.000 1.086 39 L CA 1.950 56.739 54.840 -0.085 0.000 0.760 39 L CB -0.393 41.688 42.059 0.037 0.000 0.910 39 L HN 0.482 nan 8.230 nan 0.000 0.437 40 E N -1.711 118.390 120.200 -0.166 0.000 2.158 40 E HA -0.164 4.187 4.350 0.001 0.000 0.191 40 E C 1.500 177.870 176.600 -0.384 0.000 0.982 40 E CA 0.986 57.191 56.400 -0.324 0.000 0.823 40 E CB -0.026 29.465 29.700 -0.348 0.000 0.766 40 E HN 0.641 nan 8.360 nan 0.000 0.468 41 H N 0.191 119.176 119.070 -0.142 0.000 2.539 41 H HA 0.094 4.650 4.556 0.001 0.000 0.269 41 H C 0.999 176.324 175.328 -0.006 0.000 0.980 41 H CA 0.054 56.071 56.048 -0.052 0.000 1.152 41 H CB 0.321 30.136 29.762 0.089 0.000 1.407 41 H HN 0.035 nan 8.280 nan 0.000 0.564 42 E N 0.657 120.856 120.200 -0.002 0.000 2.401 42 E HA -0.087 4.264 4.350 0.001 0.000 0.203 42 E C 0.903 177.522 176.600 0.033 0.000 1.229 42 E CA 0.124 56.526 56.400 0.004 0.000 1.000 42 E CB 0.045 29.715 29.700 -0.049 0.000 1.052 42 E HN 0.258 nan 8.360 nan 0.000 0.497 43 S N -1.441 114.305 115.700 0.076 0.000 2.649 43 S HA 0.088 4.559 4.470 0.001 0.000 0.246 43 S C 0.273 174.903 174.600 0.049 0.000 1.057 43 S CA 0.066 58.283 58.200 0.028 0.000 1.051 43 S CB -0.035 63.116 63.200 -0.082 0.000 1.018 43 S HN 0.592 nan 8.310 nan 0.000 0.569 44 Y N 1.496 121.786 120.300 -0.017 0.000 2.783 44 Y HA -0.414 4.137 4.550 0.002 0.000 0.474 44 Y C 1.662 177.595 175.900 0.056 0.000 1.132 44 Y CA 2.385 60.500 58.100 0.025 0.000 2.790 44 Y CB -1.293 37.193 38.460 0.044 0.000 1.128 44 Y HN 0.222 nan 8.280 nan 0.000 0.608 45 E N 0.500 120.840 120.200 0.235 0.000 2.058 45 E HA -0.218 4.133 4.350 0.001 0.000 0.194 45 E C 2.107 178.731 176.600 0.040 0.000 0.997 45 E CA 2.223 58.717 56.400 0.157 0.000 0.801 45 E CB -0.435 29.372 29.700 0.178 0.000 0.746 45 E HN 0.693 nan 8.360 nan 0.000 0.450 46 M N -0.258 119.359 119.600 0.028 0.000 2.200 46 M HA -0.037 4.444 4.480 0.001 0.000 0.265 46 M C 2.349 178.643 176.300 -0.011 0.000 1.066 46 M CA 1.388 56.696 55.300 0.013 0.000 1.127 46 M CB -0.486 32.125 32.600 0.018 0.000 1.379 46 M HN 0.124 nan 8.290 nan 0.000 0.420 47 G N 0.352 109.119 108.800 -0.056 0.000 2.440 47 G HA2 -0.200 3.760 3.960 0.001 0.000 0.218 47 G HA3 -0.200 3.760 3.960 0.001 0.000 0.218 47 G C 1.472 176.317 174.900 -0.091 0.000 1.154 47 G CA 0.757 45.803 45.100 -0.090 0.000 0.767 47 G HN 0.364 nan 8.290 nan 0.000 0.552 48 E N 0.691 120.791 120.200 -0.168 0.000 2.107 48 E HA 0.020 4.370 4.350 0.001 0.000 0.191 48 E C 2.910 179.560 176.600 0.084 0.000 0.982 48 E CA 0.877 57.239 56.400 -0.064 0.000 0.809 48 E CB -0.344 29.268 29.700 -0.147 0.000 0.756 48 E HN 0.379 nan 8.360 nan 0.000 0.459 49 A N 1.493 124.338 122.820 0.042 0.000 1.898 49 A HA -0.154 4.167 4.320 0.001 0.000 0.216 49 A C 2.160 179.783 177.584 0.065 0.000 1.181 49 A CA 1.182 53.249 52.037 0.049 0.000 0.620 49 A CB -0.398 18.621 19.000 0.032 0.000 0.819 49 A HN 0.092 nan 8.150 nan 0.000 0.442 50 R N -1.863 118.679 120.500 0.070 0.000 2.152 50 R HA -0.091 4.250 4.340 0.001 0.000 0.232 50 R C 1.832 178.204 176.300 0.121 0.000 1.117 50 R CA 1.409 57.554 56.100 0.074 0.000 0.981 50 R CB -0.442 29.894 30.300 0.061 0.000 0.870 50 R HN 0.585 nan 8.270 nan 0.000 0.451 51 F N 1.755 121.706 119.950 0.001 0.000 2.186 51 F HA -0.043 4.485 4.527 0.001 0.000 0.299 51 F C 0.579 176.445 175.800 0.111 0.000 1.090 51 F CA 0.983 58.999 58.000 0.028 0.000 1.307 51 F CB 0.182 39.181 39.000 -0.002 0.000 1.019 51 F HN -0.246 nan 8.300 nan 0.000 0.489 52 R N 1.388 121.911 120.500 0.039 0.000 3.266 52 R HA 0.153 4.494 4.340 0.001 0.000 0.224 52 R C 0.654 176.954 176.300 -0.001 0.000 1.525 52 R CA 0.014 56.081 56.100 -0.055 0.000 1.364 52 R CB 0.269 30.484 30.300 -0.141 0.000 1.276 52 R HN 0.320 nan 8.270 nan 0.000 0.660 53 K N 1.058 121.463 120.400 0.009 0.000 2.826 53 K HA 0.148 4.468 4.320 0.001 0.000 0.195 53 K C 0.455 177.061 176.600 0.010 0.000 1.516 53 K CA 0.045 56.339 56.287 0.011 0.000 1.213 53 K CB 0.754 33.259 32.500 0.009 0.000 1.762 53 K HN 0.348 nan 8.250 nan 0.000 0.583 54 M N -0.898 118.695 119.600 -0.012 0.000 3.000 54 M HA -0.234 4.246 4.480 0.001 0.000 0.210 54 M C 0.066 176.296 176.300 -0.115 0.000 0.585 54 M CA 1.044 56.303 55.300 -0.067 0.000 0.798 54 M CB -1.152 31.407 32.600 -0.068 0.000 2.852 54 M HN 0.377 nan 8.290 nan 0.000 0.310 55 F N -1.111 118.718 119.950 -0.203 0.000 1.890 55 F HA 0.195 4.723 4.527 0.001 0.000 0.261 55 F C 1.660 177.394 175.800 -0.110 0.000 1.066 55 F CA 0.820 58.690 58.000 -0.216 0.000 1.235 55 F CB 0.321 39.179 39.000 -0.236 0.000 1.548 55 F HN -0.127 nan 8.300 nan 0.000 0.593 56 E N 0.310 120.626 120.200 0.193 0.000 2.175 56 E HA 0.174 4.525 4.350 0.001 0.000 0.195 56 E C 0.665 177.288 176.600 0.038 0.000 0.934 56 E CA 0.161 56.626 56.400 0.109 0.000 0.870 56 E CB 0.038 29.808 29.700 0.115 0.000 0.838 56 E HN -0.019 nan 8.360 nan 0.000 0.474 74 I N 1.722 122.156 120.570 -0.227 0.000 2.361 74 I HA -0.199 3.972 4.170 0.001 0.000 0.251 74 I C 2.284 178.238 176.117 -0.272 0.000 1.133 74 I CA 2.602 63.680 61.300 -0.370 0.000 1.413 74 I CB 0.063 37.534 38.000 -0.881 0.000 1.073 74 I HN 0.404 nan 8.210 nan 0.000 0.424 75 T N -3.966 110.459 114.554 -0.216 0.000 3.160 75 T HA 0.025 4.376 4.350 0.001 0.000 0.257 75 T C 1.260 175.944 174.700 -0.027 0.000 1.147 75 T CA 1.186 63.238 62.100 -0.080 0.000 1.064 75 T CB -0.657 68.192 68.868 -0.033 0.000 0.949 75 T HN 0.349 nan 8.240 nan 0.000 0.526 76 T N 0.458 114.993 114.554 -0.032 0.000 2.964 76 T HA 0.329 4.680 4.350 0.001 0.000 0.249 76 T C 1.424 176.130 174.700 0.011 0.000 1.000 76 T CA -0.275 61.825 62.100 -0.000 0.000 0.992 76 T CB 0.006 68.877 68.868 0.006 0.000 1.087 76 T HN 0.127 nan 8.240 nan 0.000 0.489 77 L N 1.111 122.333 121.223 -0.002 0.000 2.044 77 L HA 0.201 4.542 4.340 0.001 0.000 0.205 77 L C 2.180 179.052 176.870 0.003 0.000 1.075 77 L CA 1.144 55.982 54.840 -0.004 0.000 0.747 77 L CB -0.910 41.123 42.059 -0.042 0.000 0.903 77 L HN 0.171 nan 8.230 nan 0.000 0.435 78 L N 0.671 121.904 121.223 0.017 0.000 2.017 78 L HA -0.085 4.255 4.340 0.001 0.000 0.208 78 L C -0.515 176.388 176.870 0.055 0.000 1.073 78 L CA 1.978 56.851 54.840 0.056 0.000 0.745 78 L CB -1.589 40.537 42.059 0.111 0.000 0.894 78 L HN 0.180 nan 8.230 nan 0.000 0.432 79 P HA -0.200 nan 4.420 nan 0.000 0.216 79 P C 1.322 178.640 177.300 0.031 0.000 1.153 79 P CA 1.637 64.763 63.100 0.044 0.000 0.848 79 P CB -0.076 31.648 31.700 0.039 0.000 0.787 80 K N -1.077 119.337 120.400 0.022 0.000 2.057 80 K HA -0.135 4.186 4.320 0.001 0.000 0.207 80 K C 2.264 178.866 176.600 0.003 0.000 1.049 80 K CA 1.487 57.782 56.287 0.013 0.000 0.931 80 K CB -0.458 32.050 32.500 0.013 0.000 0.714 80 K HN 0.039 nan 8.250 nan 0.000 0.440 81 M N 1.216 120.817 119.600 0.002 0.000 2.099 81 M HA -0.081 4.399 4.480 0.001 0.000 0.262 81 M C 1.750 178.043 176.300 -0.012 0.000 1.067 81 M CA 1.499 56.791 55.300 -0.014 0.000 1.124 81 M CB -0.163 32.431 32.600 -0.010 0.000 1.353 81 M HN 0.062 nan 8.290 nan 0.000 0.410 82 I N 0.031 120.610 120.570 0.016 0.000 2.208 82 I HA -0.301 3.870 4.170 0.001 0.000 0.245 82 I C 2.405 178.529 176.117 0.010 0.000 1.097 82 I CA 1.263 62.578 61.300 0.025 0.000 1.363 82 I CB -0.908 37.125 38.000 0.054 0.000 1.051 82 I HN 0.406 nan 8.210 nan 0.000 0.413 83 A N 0.815 123.644 122.820 0.014 0.000 1.902 83 A HA -0.265 4.056 4.320 0.001 0.000 0.217 83 A C 2.351 179.934 177.584 -0.000 0.000 1.181 83 A CA 2.041 54.086 52.037 0.014 0.000 0.623 83 A CB -0.546 18.465 19.000 0.018 0.000 0.818 83 A HN 0.307 nan 8.150 nan 0.000 0.443 84 R N 0.255 120.744 120.500 -0.017 0.000 2.081 84 R HA -0.008 4.333 4.340 0.001 0.000 0.235 84 R C 1.743 178.009 176.300 -0.057 0.000 1.131 84 R CA 1.737 57.820 56.100 -0.028 0.000 0.960 84 R CB -0.775 29.494 30.300 -0.052 0.000 0.856 84 R HN 0.568 nan 8.270 nan 0.000 0.436 85 I N 0.289 120.785 120.570 -0.123 0.000 2.179 85 I HA -0.297 3.874 4.170 0.001 0.000 0.242 85 I C 1.764 177.621 176.117 -0.434 0.000 1.088 85 I CA 1.930 63.052 61.300 -0.296 0.000 1.357 85 I CB -0.434 37.414 38.000 -0.253 0.000 1.051 85 I HN 0.336 nan 8.210 nan 0.000 0.409 86 N N 0.456 119.060 118.700 -0.159 0.000 2.188 86 N HA -0.181 4.560 4.740 0.001 0.000 0.184 86 N C 1.302 176.848 175.510 0.060 0.000 1.018 86 N CA 1.096 54.148 53.050 0.003 0.000 0.858 86 N CB 0.011 38.545 38.487 0.079 0.000 0.989 86 N HN 0.297 nan 8.380 nan 0.000 0.426 87 D N -0.095 120.331 120.400 0.043 0.000 2.117 87 D HA -0.147 4.494 4.640 0.001 0.000 0.198 87 D C 1.410 177.778 176.300 0.114 0.000 0.982 87 D CA 0.602 54.647 54.000 0.074 0.000 0.828 87 D CB -0.350 40.486 40.800 0.061 0.000 0.967 87 D HN 0.376 nan 8.370 nan 0.000 0.464 88 W N 0.726 121.970 121.300 -0.094 0.000 2.363 88 W HA -0.165 4.496 4.660 0.002 0.000 0.296 88 W C 1.662 178.261 176.519 0.133 0.000 1.212 88 W CA 1.010 58.325 57.345 -0.050 0.000 1.260 88 W CB -0.354 29.022 29.460 -0.139 0.000 1.131 88 W HN -0.175 nan 8.180 nan 0.000 0.530 89 F N 0.872 120.931 119.950 0.181 0.000 2.146 89 F HA -0.119 4.409 4.527 0.002 0.000 0.298 89 F C 2.286 178.088 175.800 0.005 0.000 1.096 89 F CA 1.644 59.729 58.000 0.142 0.000 1.275 89 F CB -1.379 37.763 39.000 0.237 0.000 1.008 89 F HN -0.012 nan 8.300 nan 0.000 0.480 90 E N 0.061 120.376 120.200 0.191 0.000 2.110 90 E HA -0.199 4.151 4.350 0.001 0.000 0.193 90 E C 2.000 178.587 176.600 -0.022 0.000 0.988 90 E CA 1.327 57.773 56.400 0.077 0.000 0.804 90 E CB -0.225 29.518 29.700 0.072 0.000 0.745 90 E HN 0.537 nan 8.360 nan 0.000 0.458 91 E N 0.371 120.530 120.200 -0.068 0.000 2.047 91 E HA -0.140 4.211 4.350 0.001 0.000 0.191 91 E C 2.250 178.707 176.600 -0.239 0.000 0.987 91 E CA 1.037 57.358 56.400 -0.131 0.000 0.799 91 E CB 0.045 29.674 29.700 -0.118 0.000 0.752 91 E HN 0.040 nan 8.360 nan 0.000 0.449 92 V N 1.710 121.376 119.914 -0.414 0.000 2.343 92 V HA -0.267 3.854 4.120 0.001 0.000 0.247 92 V C 2.069 177.870 176.094 -0.488 0.000 1.051 92 V CA 1.785 63.730 62.300 -0.591 0.000 1.036 92 V CB -0.379 30.812 31.823 -1.054 0.000 0.654 92 V HN 0.190 nan 8.190 nan 0.000 0.451 93 K N 0.179 120.369 120.400 -0.349 0.000 2.147 93 K HA -0.081 4.240 4.320 0.001 0.000 0.205 93 K C 2.232 178.738 176.600 -0.157 0.000 1.049 93 K CA 1.358 57.511 56.287 -0.224 0.000 0.936 93 K CB -0.334 32.122 32.500 -0.074 0.000 0.722 93 K HN 0.490 nan 8.250 nan 0.000 0.446 94 A N 1.665 124.405 122.820 -0.133 0.000 1.929 94 A HA -0.063 4.258 4.320 0.001 0.000 0.216 94 A C 0.753 178.274 177.584 -0.106 0.000 1.176 94 A CA 0.797 52.777 52.037 -0.095 0.000 0.628 94 A CB -0.057 18.901 19.000 -0.070 0.000 0.816 94 A HN 0.125 nan 8.150 nan 0.000 0.444 95 K N 0.364 120.680 120.400 -0.140 0.000 2.219 95 K HA 0.279 4.600 4.320 0.001 0.000 0.258 95 K C 0.397 176.920 176.600 -0.129 0.000 1.008 95 K CA -0.243 55.967 56.287 -0.128 0.000 0.928 95 K CB 0.531 32.943 32.500 -0.148 0.000 0.983 95 K HN 0.622 nan 8.250 nan 0.000 0.484 96 R N -0.203 120.238 120.500 -0.098 0.000 2.700 96 R HA 0.655 4.996 4.340 0.001 0.000 0.253 96 R C 0.170 176.417 176.300 -0.087 0.000 1.091 96 R CA -0.308 55.739 56.100 -0.088 0.000 1.104 96 R CB 0.643 30.906 30.300 -0.063 0.000 1.202 96 R HN 0.697 nan 8.270 nan 0.000 0.532 97 G N 0.579 109.334 108.800 -0.075 0.000 2.741 97 G HA2 -0.309 3.651 3.960 0.001 0.000 0.222 97 G HA3 -0.309 3.651 3.960 0.001 0.000 0.222 97 G C -1.017 173.835 174.900 -0.080 0.000 1.364 97 G CA 0.038 45.099 45.100 -0.065 0.000 0.866 97 G HN 0.860 nan 8.290 nan 0.000 0.555 98 K N 0.793 121.156 120.400 -0.062 0.000 2.453 98 K HA 0.212 4.533 4.320 0.001 0.000 0.280 98 K C 0.987 177.535 176.600 -0.085 0.000 1.045 98 K CA 0.206 56.457 56.287 -0.060 0.000 1.059 98 K CB 0.127 32.607 32.500 -0.033 0.000 0.901 98 K HN 0.524 nan 8.250 nan 0.000 0.475 99 R N 4.691 125.118 120.500 -0.122 0.000 2.539 99 R HA 0.154 4.495 4.340 0.001 0.000 0.275 99 R C -2.090 174.172 176.300 -0.063 0.000 1.077 99 R CA -1.732 54.249 56.100 -0.199 0.000 1.097 99 R CB 0.130 30.217 30.300 -0.356 0.000 1.018 99 R HN 0.555 nan 8.270 nan 0.000 0.483 100 P HA -0.067 nan 4.420 nan 0.000 0.264 100 P C 0.337 177.768 177.300 0.218 0.000 1.179 100 P CA 0.367 63.570 63.100 0.172 0.000 0.763 100 P CB 0.515 32.434 31.700 0.365 0.000 0.806 101 T N 1.707 116.341 114.554 0.133 0.000 2.720 101 T HA -0.216 4.134 4.350 0.001 0.000 0.268 101 T C 1.723 176.562 174.700 0.230 0.000 1.037 101 T CA 1.925 64.036 62.100 0.019 0.000 1.144 101 T CB -0.567 67.970 68.868 -0.552 0.000 0.864 101 T HN 0.507 nan 8.240 nan 0.000 0.444 102 A N 0.681 123.693 122.820 0.319 0.000 2.067 102 A HA 0.054 4.375 4.320 0.001 0.000 0.219 102 A C 1.892 179.785 177.584 0.515 0.000 1.158 102 A CA 0.865 53.131 52.037 0.381 0.000 0.661 102 A CB -0.913 18.289 19.000 0.336 0.000 0.801 102 A HN 0.473 nan 8.150 nan 0.000 0.452 103 F N 0.820 121.039 119.950 0.447 0.000 2.025 103 F HA -0.303 4.225 4.527 0.001 0.000 0.297 103 F C 2.469 178.351 175.800 0.137 0.000 1.132 103 F CA 2.590 60.811 58.000 0.369 0.000 1.191 103 F CB -0.587 38.467 39.000 0.090 0.000 0.963 103 F HN 0.308 nan 8.300 nan 0.000 0.481 104 Q N -0.862 118.941 119.800 0.005 0.000 2.135 104 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 104 Q C 2.161 177.945 176.000 -0.360 0.000 0.981 104 Q CA 2.027 57.644 55.803 -0.310 0.000 0.856 104 Q CB -0.416 28.143 28.738 -0.299 0.000 0.902 104 Q HN 0.503 nan 8.270 nan 0.000 0.425 105 F N -0.221 119.648 119.950 -0.135 0.000 2.325 105 F HA -0.082 4.446 4.527 0.002 0.000 0.299 105 F C 1.647 177.483 175.800 0.059 0.000 1.090 105 F CA 0.666 58.581 58.000 -0.143 0.000 1.392 105 F CB 0.098 38.767 39.000 -0.552 0.000 1.053 105 F HN 0.012 nan 8.300 nan 0.000 0.521 106 L N -0.472 120.874 121.223 0.205 0.000 2.591 106 L HA 0.013 4.354 4.340 0.001 0.000 0.228 106 L C 1.783 178.691 176.870 0.064 0.000 1.133 106 L CA 0.450 55.439 54.840 0.247 0.000 0.880 106 L CB -0.202 42.108 42.059 0.419 0.000 1.033 106 L HN 0.166 nan 8.230 nan 0.000 0.450 107 Q N -0.283 119.388 119.800 -0.215 0.000 2.282 107 Q HA -0.012 4.329 4.340 0.001 0.000 0.206 107 Q C 1.405 177.308 176.000 -0.160 0.000 0.878 107 Q CA 0.050 55.624 55.803 -0.382 0.000 0.944 107 Q CB 0.503 28.816 28.738 -0.708 0.000 1.100 107 Q HN 0.464 nan 8.270 nan 0.000 0.509 108 E N -0.272 119.911 120.200 -0.028 0.000 2.285 108 E HA 0.012 4.363 4.350 0.001 0.000 0.194 108 E C -0.055 176.574 176.600 0.049 0.000 0.997 108 E CA 0.519 56.938 56.400 0.031 0.000 0.845 108 E CB 0.543 30.328 29.700 0.141 0.000 0.782 108 E HN 0.319 nan 8.360 nan 0.000 0.491 109 I N 0.845 121.462 120.570 0.078 0.000 2.646 109 I HA 0.160 4.330 4.170 0.001 0.000 0.299 109 I C -0.007 176.164 176.117 0.090 0.000 1.036 109 I CA -1.074 60.276 61.300 0.082 0.000 1.074 109 I CB 1.979 40.046 38.000 0.111 0.000 1.258 109 I HN -0.204 nan 8.210 nan 0.000 0.430 110 K N 6.784 127.228 120.400 0.074 0.000 2.491 110 K HA 0.042 4.363 4.320 0.001 0.000 0.279 110 K C -1.514 175.164 176.600 0.130 0.000 1.026 110 K CA -0.907 55.432 56.287 0.087 0.000 1.070 110 K CB 0.821 33.356 32.500 0.059 0.000 0.887 110 K HN 0.259 nan 8.250 nan 0.000 0.481 111 P HA -0.208 nan 4.420 nan 0.000 0.217 111 P C 0.280 177.660 177.300 0.134 0.000 1.151 111 P CA 1.477 64.700 63.100 0.205 0.000 0.849 111 P CB 0.250 32.091 31.700 0.235 0.000 0.787 112 E N 0.144 120.412 120.200 0.113 0.000 2.058 112 E HA -0.148 4.203 4.350 0.001 0.000 0.194 112 E C 2.296 178.968 176.600 0.120 0.000 0.997 112 E CA 1.840 58.303 56.400 0.104 0.000 0.801 112 E CB -1.163 28.587 29.700 0.084 0.000 0.746 112 E HN 0.232 nan 8.360 nan 0.000 0.450 113 A N 0.243 123.123 122.820 0.099 0.000 1.929 113 A HA -0.102 4.218 4.320 0.001 0.000 0.216 113 A C 2.446 180.114 177.584 0.140 0.000 1.176 113 A CA 1.084 53.178 52.037 0.095 0.000 0.628 113 A CB -0.560 18.469 19.000 0.048 0.000 0.816 113 A HN 0.144 nan 8.150 nan 0.000 0.444 114 V N 0.048 120.043 119.914 0.136 0.000 2.332 114 V HA -0.302 3.819 4.120 0.001 0.000 0.248 114 V C 3.030 179.190 176.094 0.111 0.000 1.055 114 V CA 2.027 64.409 62.300 0.137 0.000 1.038 114 V CB -1.247 30.674 31.823 0.164 0.000 0.651 114 V HN 0.621 nan 8.190 nan 0.000 0.450 115 A N -0.979 121.905 122.820 0.107 0.000 1.855 115 A HA -0.261 4.060 4.320 0.001 0.000 0.215 115 A C 2.144 179.785 177.584 0.094 0.000 1.191 115 A CA 2.037 54.122 52.037 0.080 0.000 0.613 115 A CB -0.888 18.160 19.000 0.079 0.000 0.829 115 A HN 0.595 nan 8.150 nan 0.000 0.442 116 Y N 0.616 120.922 120.300 0.011 0.000 2.040 116 Y HA -0.310 4.241 4.550 0.002 0.000 0.275 116 Y C 2.144 177.971 175.900 -0.122 0.000 1.171 116 Y CA 2.282 60.363 58.100 -0.032 0.000 1.123 116 Y CB -0.345 38.096 38.460 -0.031 0.000 0.963 116 Y HN 0.293 nan 8.280 nan 0.000 0.493 117 I N -0.655 120.009 120.570 0.157 0.000 2.151 117 I HA -0.416 3.755 4.170 0.001 0.000 0.243 117 I C 2.233 178.325 176.117 -0.040 0.000 1.080 117 I CA 1.995 63.325 61.300 0.050 0.000 1.339 117 I CB -0.824 37.237 38.000 0.102 0.000 1.039 117 I HN 0.311 nan 8.210 nan 0.000 0.409 118 T N 1.461 116.010 114.554 -0.009 0.000 2.684 118 T HA -0.156 4.195 4.350 0.001 0.000 0.267 118 T C 1.933 176.604 174.700 -0.049 0.000 1.036 118 T CA 1.444 63.533 62.100 -0.017 0.000 1.148 118 T CB -0.207 68.656 68.868 -0.008 0.000 0.863 118 T HN 0.155 nan 8.240 nan 0.000 0.436 119 I N 1.473 121.997 120.570 -0.075 0.000 2.179 119 I HA -0.120 4.051 4.170 0.001 0.000 0.242 119 I C 2.466 178.567 176.117 -0.028 0.000 1.088 119 I CA 1.447 62.719 61.300 -0.048 0.000 1.357 119 I CB -1.203 36.793 38.000 -0.006 0.000 1.051 119 I HN 0.284 nan 8.210 nan 0.000 0.409 120 K N 0.926 121.172 120.400 -0.257 0.000 2.009 120 K HA -0.184 4.137 4.320 0.001 0.000 0.210 120 K C 2.095 178.637 176.600 -0.097 0.000 1.049 120 K CA 2.342 58.411 56.287 -0.363 0.000 0.929 120 K CB -0.031 31.973 32.500 -0.826 0.000 0.714 120 K HN 0.291 nan 8.250 nan 0.000 0.440 121 T N 0.311 114.813 114.554 -0.086 0.000 2.777 121 T HA -0.094 4.257 4.350 0.001 0.000 0.266 121 T C 1.842 176.538 174.700 -0.007 0.000 1.040 121 T CA 1.826 63.908 62.100 -0.030 0.000 1.141 121 T CB -0.484 68.376 68.868 -0.013 0.000 0.868 121 T HN 0.354 nan 8.240 nan 0.000 0.444 122 T N 2.573 117.121 114.554 -0.010 0.000 2.720 122 T HA 0.023 4.374 4.350 0.001 0.000 0.268 122 T C 1.975 176.675 174.700 0.001 0.000 1.037 122 T CA 0.888 62.984 62.100 -0.006 0.000 1.144 122 T CB -0.481 68.374 68.868 -0.021 0.000 0.864 122 T HN 0.233 nan 8.240 nan 0.000 0.444 123 L N 0.535 121.768 121.223 0.018 0.000 2.093 123 L HA -0.023 4.318 4.340 0.001 0.000 0.208 123 L C 2.968 179.861 176.870 0.039 0.000 1.085 123 L CA 1.022 55.883 54.840 0.034 0.000 0.755 123 L CB -0.543 41.567 42.059 0.086 0.000 0.904 123 L HN 0.253 nan 8.230 nan 0.000 0.435 124 A N -1.199 121.645 122.820 0.040 0.000 1.929 124 A HA -0.188 4.133 4.320 0.001 0.000 0.216 124 A C 2.332 179.927 177.584 0.018 0.000 1.176 124 A CA 1.510 53.565 52.037 0.030 0.000 0.628 124 A CB -0.997 18.015 19.000 0.020 0.000 0.816 124 A HN 0.520 nan 8.150 nan 0.000 0.444 125 C N -1.000 118.308 119.300 0.013 0.000 2.450 125 C HA 0.094 4.555 4.460 0.001 0.000 0.279 125 C C 2.438 177.435 174.990 0.011 0.000 1.335 125 C CA 0.817 59.841 59.018 0.011 0.000 1.749 125 C CB -1.257 26.488 27.740 0.010 0.000 1.963 125 C HN 0.602 nan 8.230 nan 0.000 0.501 126 L N -0.318 120.911 121.223 0.011 0.000 2.416 126 L HA 0.008 4.349 4.340 0.001 0.000 0.216 126 L C 2.479 179.357 176.870 0.013 0.000 1.098 126 L CA 0.898 55.744 54.840 0.010 0.000 0.840 126 L CB -0.572 41.491 42.059 0.006 0.000 0.981 126 L HN 0.283 nan 8.230 nan 0.000 0.462 127 T N -0.768 113.795 114.554 0.015 0.000 2.770 127 T HA -0.120 4.231 4.350 0.001 0.000 0.258 127 T C 2.116 176.825 174.700 0.015 0.000 1.039 127 T CA 1.587 63.697 62.100 0.017 0.000 1.143 127 T CB -0.142 68.738 68.868 0.020 0.000 0.866 127 T HN 0.434 nan 8.240 nan 0.000 0.428 128 S N 1.717 117.426 115.700 0.015 0.000 2.387 128 S HA 0.313 4.784 4.470 0.001 0.000 0.226 128 S C 1.052 175.659 174.600 0.011 0.000 1.026 128 S CA 0.231 58.438 58.200 0.012 0.000 0.972 128 S CB -0.289 62.917 63.200 0.010 0.000 0.814 128 S HN 0.530 nan 8.310 nan 0.000 0.477 129 A N 1.281 124.107 122.820 0.011 0.000 2.312 129 A HA 0.616 4.937 4.320 0.001 0.000 0.326 129 A C -1.119 176.472 177.584 0.012 0.000 1.172 129 A CA -0.722 51.322 52.037 0.011 0.000 0.821 129 A CB 0.670 19.676 19.000 0.010 0.000 1.166 129 A HN 0.181 nan 8.150 nan 0.000 0.493 130 D N 1.882 122.289 120.400 0.013 0.000 2.540 130 D HA 0.320 4.961 4.640 0.001 0.000 0.251 130 D C 0.174 176.481 176.300 0.012 0.000 1.159 130 D CA 0.262 54.270 54.000 0.013 0.000 0.974 130 D CB 0.570 41.379 40.800 0.015 0.000 0.996 130 D HN 0.547 nan 8.370 nan 0.000 0.512 131 N N -0.083 118.623 118.700 0.010 0.000 2.778 131 N HA 0.131 4.872 4.740 0.001 0.000 0.213 131 N C -0.965 174.552 175.510 0.011 0.000 1.647 131 N CA 0.389 53.445 53.050 0.010 0.000 1.354 131 N CB 0.711 39.204 38.487 0.010 0.000 0.851 131 N HN 0.177 nan 8.380 nan 0.000 0.840 132 T N -1.201 113.359 114.554 0.011 0.000 2.893 132 T HA 0.443 4.794 4.350 0.001 0.000 0.293 132 T C -0.111 174.593 174.700 0.007 0.000 1.027 132 T CA -0.556 61.550 62.100 0.009 0.000 0.988 132 T CB 1.516 70.390 68.868 0.009 0.000 1.043 132 T HN 0.265 nan 8.240 nan 0.000 0.461 133 T N 1.491 116.048 114.554 0.004 0.000 2.946 133 T HA 0.062 4.412 4.350 0.001 0.000 0.311 133 T C 1.415 176.112 174.700 -0.005 0.000 1.063 133 T CA 0.243 62.342 62.100 -0.002 0.000 1.139 133 T CB 0.610 69.477 68.868 -0.001 0.000 0.994 133 T HN 0.735 nan 8.240 nan 0.000 0.547 134 V N 4.487 124.391 119.914 -0.017 0.000 2.307 134 V HA -0.132 3.989 4.120 0.001 0.000 0.245 134 V C 2.618 178.704 176.094 -0.013 0.000 1.045 134 V CA 2.438 64.722 62.300 -0.026 0.000 1.024 134 V CB -0.692 31.092 31.823 -0.066 0.000 0.651 134 V HN 1.039 nan 8.190 nan 0.000 0.449 135 Q N -0.113 119.681 119.800 -0.011 0.000 2.437 135 Q HA -0.031 4.309 4.340 0.001 0.000 0.210 135 Q C 1.941 177.949 176.000 0.014 0.000 0.972 135 Q CA 1.484 57.287 55.803 0.000 0.000 0.903 135 Q CB -0.393 28.344 28.738 -0.001 0.000 0.967 135 Q HN 0.652 nan 8.270 nan 0.000 0.486 136 A N 1.158 123.985 122.820 0.012 0.000 1.871 136 A HA 0.028 4.349 4.320 0.001 0.000 0.211 136 A C 2.295 179.892 177.584 0.021 0.000 1.207 136 A CA 0.793 52.840 52.037 0.017 0.000 0.620 136 A CB -0.484 18.523 19.000 0.013 0.000 0.860 136 A HN 0.180 nan 8.150 nan 0.000 0.450 137 V N 0.381 120.306 119.914 0.017 0.000 2.295 137 V HA -0.238 3.883 4.120 0.001 0.000 0.246 137 V C 3.071 179.183 176.094 0.031 0.000 1.049 137 V CA 1.978 64.290 62.300 0.020 0.000 1.024 137 V CB -1.380 30.453 31.823 0.016 0.000 0.648 137 V HN 0.577 nan 8.190 nan 0.000 0.447 138 A N -0.563 122.276 122.820 0.031 0.000 1.908 138 A HA -0.274 4.046 4.320 0.001 0.000 0.218 138 A C 2.565 180.186 177.584 0.062 0.000 1.181 138 A CA 2.440 54.504 52.037 0.045 0.000 0.627 138 A CB -0.839 18.181 19.000 0.033 0.000 0.818 138 A HN 0.484 nan 8.150 nan 0.000 0.445 139 S N -0.729 115.004 115.700 0.054 0.000 2.368 139 S HA 0.004 4.475 4.470 0.001 0.000 0.224 139 S C 2.181 176.821 174.600 0.066 0.000 1.029 139 S CA 1.462 59.703 58.200 0.068 0.000 0.988 139 S CB -0.463 62.771 63.200 0.057 0.000 0.838 139 S HN 0.813 nan 8.310 nan 0.000 0.462 140 A N 1.408 124.257 122.820 0.048 0.000 1.902 140 A HA 0.009 4.330 4.320 0.001 0.000 0.217 140 A C 2.088 179.698 177.584 0.043 0.000 1.181 140 A CA 1.482 53.541 52.037 0.037 0.000 0.623 140 A CB -0.753 18.262 19.000 0.025 0.000 0.818 140 A HN 0.619 nan 8.150 nan 0.000 0.443 141 I N -0.340 120.261 120.570 0.053 0.000 2.179 141 I HA -0.192 3.978 4.170 0.001 0.000 0.242 141 I C 2.742 178.919 176.117 0.100 0.000 1.088 141 I CA 1.061 62.399 61.300 0.064 0.000 1.357 141 I CB -0.771 37.267 38.000 0.062 0.000 1.051 141 I HN 0.396 nan 8.210 nan 0.000 0.409 142 G N 0.986 109.868 108.800 0.136 0.000 2.491 142 G HA2 -0.262 3.699 3.960 0.001 0.000 0.218 142 G HA3 -0.262 3.699 3.960 0.001 0.000 0.218 142 G C 1.808 176.783 174.900 0.125 0.000 1.180 142 G CA 0.670 45.911 45.100 0.235 0.000 0.774 142 G HN 0.309 nan 8.290 nan 0.000 0.562 143 R N 0.471 121.003 120.500 0.053 0.000 2.096 143 R HA 0.050 4.391 4.340 0.001 0.000 0.235 143 R C 2.980 179.239 176.300 -0.068 0.000 1.127 143 R CA 1.045 57.122 56.100 -0.037 0.000 0.968 143 R CB -0.368 29.932 30.300 -0.000 0.000 0.861 143 R HN 0.363 nan 8.270 nan 0.000 0.440 144 A N 1.177 123.993 122.820 -0.008 0.000 2.015 144 A HA -0.095 4.226 4.320 0.001 0.000 0.219 144 A C 2.013 179.601 177.584 0.007 0.000 1.163 144 A CA 0.964 53.009 52.037 0.014 0.000 0.646 144 A CB -0.226 18.795 19.000 0.036 0.000 0.806 144 A HN 0.078 nan 8.150 nan 0.000 0.448 145 I N -0.345 120.220 120.570 -0.009 0.000 2.235 145 I HA -0.160 4.011 4.170 0.001 0.000 0.241 145 I C 2.424 178.443 176.117 -0.163 0.000 1.085 145 I CA 1.637 62.945 61.300 0.012 0.000 1.378 145 I CB -1.377 36.737 38.000 0.191 0.000 1.076 145 I HN 0.562 nan 8.210 nan 0.000 0.415 146 E N 1.215 121.078 120.200 -0.561 0.000 2.058 146 E HA -0.272 4.079 4.350 0.001 0.000 0.194 146 E C 1.559 177.961 176.600 -0.330 0.000 0.997 146 E CA 1.825 57.725 56.400 -0.833 0.000 0.801 146 E CB 0.101 28.930 29.700 -1.452 0.000 0.746 146 E HN 0.366 nan 8.360 nan 0.000 0.450 147 D N 0.057 120.359 120.400 -0.163 0.000 2.218 147 D HA -0.157 4.484 4.640 0.001 0.000 0.204 147 D C 1.776 178.134 176.300 0.096 0.000 0.976 147 D CA 1.036 55.076 54.000 0.066 0.000 0.853 147 D CB -0.163 40.678 40.800 0.068 0.000 0.939 147 D HN 0.231 nan 8.370 nan 0.000 0.481 148 E N 0.829 121.045 120.200 0.027 0.000 2.072 148 E HA 0.009 4.359 4.350 0.001 0.000 0.190 148 E C 1.902 178.505 176.600 0.005 0.000 0.982 148 E CA 1.145 57.570 56.400 0.043 0.000 0.803 148 E CB -0.322 29.415 29.700 0.062 0.000 0.755 148 E HN 0.107 nan 8.360 nan 0.000 0.453 149 A N 1.133 123.938 122.820 -0.025 0.000 1.940 149 A HA -0.219 4.102 4.320 0.001 0.000 0.219 149 A C 2.126 179.654 177.584 -0.094 0.000 1.176 149 A CA 2.152 54.173 52.037 -0.026 0.000 0.631 149 A CB -0.508 18.499 19.000 0.012 0.000 0.814 149 A HN 0.406 nan 8.150 nan 0.000 0.446 150 R N -3.861 116.519 120.500 -0.201 0.000 2.446 150 R HA 0.408 4.749 4.340 0.001 0.000 0.254 150 R C 0.260 176.165 176.300 -0.659 0.000 0.918 150 R CA 0.224 56.069 56.100 -0.424 0.000 1.069 150 R CB 0.058 30.021 30.300 -0.561 0.000 1.194 150 R HN 0.345 nan 8.270 nan 0.000 0.534 151 F N -0.007 119.916 119.950 -0.045 0.000 2.817 151 F HA 0.442 4.969 4.527 0.001 0.000 0.333 151 F C 2.040 177.795 175.800 -0.074 0.000 1.085 151 F CA -0.204 57.766 58.000 -0.051 0.000 1.170 151 F CB 0.602 39.564 39.000 -0.064 0.000 1.066 151 F HN 0.100 nan 8.300 nan 0.000 0.564 152 G N 0.743 109.577 108.800 0.057 0.000 2.480 152 G HA2 -0.320 3.641 3.960 0.001 0.000 0.216 152 G HA3 -0.320 3.641 3.960 0.001 0.000 0.216 152 G C 1.808 176.694 174.900 -0.024 0.000 1.200 152 G CA 1.265 46.362 45.100 -0.003 0.000 0.782 152 G HN 0.170 nan 8.290 nan 0.000 0.554 153 R N 0.698 121.189 120.500 -0.015 0.000 2.066 153 R HA 0.094 4.435 4.340 0.001 0.000 0.232 153 R C 2.587 178.880 176.300 -0.012 0.000 1.131 153 R CA 1.249 57.336 56.100 -0.021 0.000 0.955 153 R CB -0.752 29.537 30.300 -0.017 0.000 0.851 153 R HN 0.459 nan 8.270 nan 0.000 0.432 154 I N 0.178 120.763 120.570 0.025 0.000 2.361 154 I HA -0.235 3.936 4.170 0.001 0.000 0.251 154 I C 2.638 178.783 176.117 0.047 0.000 1.133 154 I CA 1.333 62.670 61.300 0.061 0.000 1.413 154 I CB -0.366 37.709 38.000 0.125 0.000 1.073 154 I HN 0.232 nan 8.210 nan 0.000 0.424 155 R N 1.168 121.681 120.500 0.020 0.000 2.066 155 R HA -0.177 4.164 4.340 0.001 0.000 0.232 155 R C 1.867 178.052 176.300 -0.192 0.000 1.131 155 R CA 1.971 58.020 56.100 -0.086 0.000 0.955 155 R CB -0.132 30.068 30.300 -0.166 0.000 0.851 155 R HN 0.234 nan 8.270 nan 0.000 0.432 156 D N 0.772 121.086 120.400 -0.143 0.000 2.104 156 D HA -0.188 4.453 4.640 0.001 0.000 0.194 156 D C 1.985 178.183 176.300 -0.170 0.000 0.994 156 D CA 1.260 55.173 54.000 -0.145 0.000 0.830 156 D CB -0.241 40.500 40.800 -0.099 0.000 0.959 156 D HN 0.267 nan 8.370 nan 0.000 0.452 157 L N 0.332 121.481 121.223 -0.123 0.000 2.093 157 L HA -0.120 4.221 4.340 0.001 0.000 0.208 157 L C 2.395 179.182 176.870 -0.137 0.000 1.085 157 L CA 1.046 55.812 54.840 -0.123 0.000 0.755 157 L CB -0.240 41.789 42.059 -0.051 0.000 0.904 157 L HN 0.024 nan 8.230 nan 0.000 0.435 158 E N -0.000 120.156 120.200 -0.073 0.000 2.152 158 E HA -0.158 4.193 4.350 0.001 0.000 0.192 158 E C 2.230 178.743 176.600 -0.146 0.000 0.983 158 E CA 0.790 57.220 56.400 0.049 0.000 0.818 158 E CB 0.081 29.821 29.700 0.067 0.000 0.758 158 E HN 0.445 nan 8.360 nan 0.000 0.467 159 A N 1.382 123.952 122.820 -0.416 0.000 1.972 159 A HA -0.225 4.096 4.320 0.001 0.000 0.219 159 A C 1.904 178.930 177.584 -0.930 0.000 1.169 159 A CA 1.478 53.037 52.037 -0.797 0.000 0.635 159 A CB -0.335 18.364 19.000 -0.502 0.000 0.810 159 A HN 0.130 nan 8.150 nan 0.000 0.446 160 K N -1.049 118.996 120.400 -0.591 0.000 2.113 160 K HA -0.242 4.079 4.320 0.001 0.000 0.208 160 K C 1.783 178.022 176.600 -0.602 0.000 1.047 160 K CA 1.944 57.898 56.287 -0.556 0.000 0.928 160 K CB -0.418 31.772 32.500 -0.518 0.000 0.716 160 K HN 0.748 nan 8.250 nan 0.000 0.446 161 H N -0.358 118.401 119.070 -0.518 0.000 2.321 161 H HA -0.146 4.411 4.556 0.001 0.000 0.300 161 H C 1.795 176.956 175.328 -0.277 0.000 1.087 161 H CA 2.102 57.834 56.048 -0.528 0.000 1.319 161 H CB -0.189 29.174 29.762 -0.665 0.000 1.379 161 H HN 0.389 nan 8.280 nan 0.000 0.501 162 F N 0.775 120.728 119.950 0.005 0.000 2.776 162 F HA 0.225 4.753 4.527 0.001 0.000 0.300 162 F C 1.389 177.192 175.800 0.005 0.000 1.116 162 F CA -0.189 57.835 58.000 0.040 0.000 1.375 162 F CB 0.037 39.087 39.000 0.082 0.000 1.109 162 F HN -0.008 nan 8.300 nan 0.000 0.585 163 K N 0.533 120.788 120.400 -0.241 0.000 2.446 163 K HA 0.243 4.563 4.320 0.001 0.000 0.203 163 K C 0.772 177.315 176.600 -0.094 0.000 1.027 163 K CA -0.219 55.998 56.287 -0.117 0.000 1.166 163 K CB 0.125 32.496 32.500 -0.215 0.000 0.869 163 K HN 0.222 nan 8.250 nan 0.000 0.504 164 K N 1.696 122.044 120.400 -0.086 0.000 2.074 164 K HA -0.009 4.312 4.320 0.001 0.000 0.214 164 K C 0.222 176.810 176.600 -0.019 0.000 1.029 164 K CA 0.933 57.179 56.287 -0.069 0.000 0.966 164 K CB -0.076 32.373 32.500 -0.085 0.000 0.945 164 K HN 0.283 nan 8.250 nan 0.000 0.453 165 N N 1.076 119.780 118.700 0.007 0.000 2.776 165 N HA 0.176 4.917 4.740 0.001 0.000 0.245 165 N C -0.595 174.941 175.510 0.043 0.000 1.121 165 N CA -0.565 52.497 53.050 0.021 0.000 0.852 165 N CB 0.863 39.359 38.487 0.015 0.000 1.142 165 N HN 0.055 nan 8.380 nan 0.000 0.514 179 K N 0.389 120.781 120.400 -0.014 0.000 3.399 179 K HA 0.314 4.635 4.320 0.001 0.000 0.266 179 K C -0.440 176.176 176.600 0.026 0.000 1.604 179 K CA -0.610 55.592 56.287 -0.141 0.000 1.249 179 K CB 0.526 32.840 32.500 -0.310 0.000 2.455 179 K HN -0.237 nan 8.250 nan 0.000 0.543 180 K N 1.624 122.119 120.400 0.158 0.000 2.584 180 K HA -0.052 4.269 4.320 0.001 0.000 0.277 180 K C -0.164 176.543 176.600 0.178 0.000 0.960 180 K CA 0.215 56.684 56.287 0.303 0.000 0.975 180 K CB 0.076 32.757 32.500 0.301 0.000 0.885 180 K HN 0.406 nan 8.250 nan 0.000 0.515 181 A N 2.954 125.876 122.820 0.170 0.000 2.539 181 A HA 0.189 4.510 4.320 0.001 0.000 0.306 181 A C 0.425 178.197 177.584 0.313 0.000 1.392 181 A CA -0.358 51.812 52.037 0.221 0.000 1.060 181 A CB -0.781 18.298 19.000 0.131 0.000 1.134 181 A HN 0.712 nan 8.150 nan 0.000 0.542 182 F N 2.209 122.278 119.950 0.197 0.000 2.717 182 F HA 0.168 4.696 4.527 0.001 0.000 0.295 182 F C 1.318 177.284 175.800 0.275 0.000 1.117 182 F CA 0.150 58.337 58.000 0.312 0.000 1.361 182 F CB -0.232 38.922 39.000 0.256 0.000 1.112 182 F HN 0.459 nan 8.300 nan 0.000 0.594 183 M N 0.644 120.005 119.600 -0.398 0.000 2.581 183 M HA 0.259 4.740 4.480 0.001 0.000 0.224 183 M C 0.039 176.314 176.300 -0.042 0.000 1.171 183 M CA 0.019 55.151 55.300 -0.280 0.000 0.993 183 M CB -0.550 32.011 32.600 -0.065 0.000 1.685 183 M HN 0.186 nan 8.290 nan 0.000 0.479 184 Q N 1.959 121.786 119.800 0.046 0.000 2.256 184 Q HA 0.408 4.749 4.340 0.001 0.000 0.254 184 Q C -0.964 175.096 176.000 0.100 0.000 0.916 184 Q CA -0.368 55.487 55.803 0.086 0.000 0.932 184 Q CB 1.750 30.553 28.738 0.108 0.000 1.207 184 Q HN 0.347 nan 8.270 nan 0.000 0.426 185 V N 5.340 125.282 119.914 0.048 0.000 2.686 185 V HA 0.291 4.412 4.120 0.001 0.000 0.295 185 V C -0.388 175.726 176.094 0.033 0.000 1.055 185 V CA -0.448 61.872 62.300 0.033 0.000 1.050 185 V CB 1.268 33.092 31.823 0.000 0.000 0.984 185 V HN 0.739 nan 8.190 nan 0.000 0.482 186 V N 6.150 126.061 119.914 -0.004 0.000 2.740 186 V HA 0.111 4.231 4.120 0.001 0.000 0.303 186 V C 0.641 176.706 176.094 -0.048 0.000 1.054 186 V CA 0.022 62.218 62.300 -0.173 0.000 1.106 186 V CB 1.021 32.672 31.823 -0.287 0.000 0.957 186 V HN 0.993 nan 8.190 nan 0.000 0.486 187 E N 2.644 122.835 120.200 -0.015 0.000 2.360 187 E HA 0.319 4.669 4.350 0.001 0.000 0.269 187 E C 1.061 177.664 176.600 0.004 0.000 1.022 187 E CA 0.190 56.599 56.400 0.016 0.000 0.887 187 E CB 1.300 31.025 29.700 0.042 0.000 0.990 187 E HN 0.793 nan 8.360 nan 0.000 0.426 188 A N 4.396 127.217 122.820 0.001 0.000 1.908 188 A HA -0.234 4.087 4.320 0.001 0.000 0.218 188 A C 1.570 179.156 177.584 0.003 0.000 1.181 188 A CA 1.980 54.011 52.037 -0.009 0.000 0.627 188 A CB -0.458 18.535 19.000 -0.013 0.000 0.818 188 A HN 0.849 nan 8.150 nan 0.000 0.445 189 D N -0.772 119.637 120.400 0.016 0.000 2.350 189 D HA -0.101 4.540 4.640 0.001 0.000 0.216 189 D C 1.483 177.802 176.300 0.033 0.000 0.968 189 D CA 0.945 54.960 54.000 0.024 0.000 0.894 189 D CB -0.449 40.367 40.800 0.026 0.000 0.909 189 D HN 0.512 nan 8.370 nan 0.000 0.520 190 M N -0.339 119.283 119.600 0.037 0.000 2.441 190 M HA 0.193 4.674 4.480 0.001 0.000 0.244 190 M C 0.337 176.669 176.300 0.054 0.000 1.122 190 M CA -0.163 55.169 55.300 0.054 0.000 1.041 190 M CB 0.619 33.267 32.600 0.081 0.000 1.438 190 M HN -0.097 nan 8.290 nan 0.000 0.484 191 L N 0.952 122.196 121.223 0.034 0.000 2.410 191 L HA 0.080 4.421 4.340 0.001 0.000 0.273 191 L C 0.834 177.724 176.870 0.033 0.000 1.144 191 L CA -0.234 54.624 54.840 0.031 0.000 0.863 191 L CB 0.704 42.761 42.059 -0.002 0.000 1.140 191 L HN 0.062 nan 8.230 nan 0.000 0.463 192 S N 2.512 118.230 115.700 0.030 0.000 2.562 192 S HA 0.039 4.510 4.470 0.001 0.000 0.281 192 S C 1.193 175.787 174.600 -0.010 0.000 1.333 192 S CA -0.378 57.834 58.200 0.020 0.000 1.052 192 S CB 0.650 63.837 63.200 -0.023 0.000 0.884 192 S HN 0.621 nan 8.310 nan 0.000 0.506 193 K N 3.015 123.460 120.400 0.075 0.000 2.442 193 K HA -0.064 4.256 4.320 0.001 0.000 0.198 193 K C 1.633 178.217 176.600 -0.027 0.000 1.044 193 K CA 0.974 57.337 56.287 0.128 0.000 0.948 193 K CB -0.321 32.372 32.500 0.322 0.000 0.762 193 K HN 0.740 nan 8.250 nan 0.000 0.472 194 G N 0.300 108.800 108.800 -0.499 0.000 3.210 194 G HA2 0.045 4.005 3.960 0.001 0.000 0.220 194 G HA3 0.045 4.005 3.960 0.001 0.000 0.220 194 G C 0.897 175.629 174.900 -0.281 0.000 1.200 194 G CA 0.018 44.668 45.100 -0.750 0.000 0.834 194 G HN 0.136 nan 8.290 nan 0.000 0.524 195 L N -1.235 119.901 121.223 -0.146 0.000 3.128 195 L HA 0.334 4.675 4.340 0.001 0.000 0.277 195 L C 2.151 178.968 176.870 -0.087 0.000 1.171 195 L CA -0.049 54.740 54.840 -0.086 0.000 1.008 195 L CB 0.092 42.124 42.059 -0.046 0.000 1.442 195 L HN 0.087 nan 8.230 nan 0.000 0.584 196 L N 0.175 121.370 121.223 -0.047 0.000 1.993 196 L HA 0.086 4.427 4.340 0.001 0.000 0.206 196 L C 1.955 178.828 176.870 0.005 0.000 1.074 196 L CA 1.395 56.220 54.840 -0.024 0.000 0.746 196 L CB -0.837 41.233 42.059 0.017 0.000 0.896 196 L HN 0.286 nan 8.230 nan 0.000 0.435 197 G N -1.163 107.664 108.800 0.044 0.000 2.679 197 G HA2 0.439 4.399 3.960 0.001 0.000 0.202 197 G HA3 0.439 4.399 3.960 0.001 0.000 0.202 197 G C -0.164 174.783 174.900 0.078 0.000 1.566 197 G CA 0.328 45.473 45.100 0.075 0.000 1.074 197 G HN 0.545 nan 8.290 nan 0.000 0.564 198 G N -1.668 107.195 108.800 0.106 0.000 2.931 198 G HA2 0.308 4.268 3.960 0.001 0.000 0.675 198 G HA3 0.308 4.268 3.960 0.001 0.000 0.675 198 G C -0.894 174.097 174.900 0.153 0.000 1.339 198 G CA -0.003 45.175 45.100 0.129 0.000 0.866 198 G HN 0.698 nan 8.290 nan 0.000 0.616 199 E N 1.100 121.401 120.200 0.168 0.000 2.105 199 E HA 0.684 5.035 4.350 0.001 0.000 0.285 199 E C 1.040 177.766 176.600 0.210 0.000 1.055 199 E CA 0.570 57.080 56.400 0.183 0.000 0.843 199 E CB 1.028 30.818 29.700 0.149 0.000 1.067 199 E HN 1.148 nan 8.360 nan 0.000 0.398 200 A N 4.660 127.603 122.820 0.205 0.000 2.132 200 A HA 0.103 4.424 4.320 0.001 0.000 0.213 200 A C -0.151 177.428 177.584 -0.007 0.000 1.154 200 A CA -0.050 52.049 52.037 0.102 0.000 0.753 200 A CB 0.014 19.063 19.000 0.080 0.000 0.826 200 A HN 0.630 nan 8.150 nan 0.000 0.469 201 W N -0.120 121.228 121.300 0.080 0.000 2.496 201 W HA 0.530 5.191 4.660 0.001 0.000 0.327 201 W C 0.674 177.226 176.519 0.054 0.000 1.086 201 W CA -0.372 57.006 57.345 0.054 0.000 1.222 201 W CB 1.248 30.724 29.460 0.027 0.000 1.304 201 W HN 0.041 nan 8.180 nan 0.000 0.547 202 S N 1.524 117.398 115.700 0.289 0.000 2.531 202 S HA 0.043 4.514 4.470 0.001 0.000 0.279 202 S C 1.295 176.031 174.600 0.226 0.000 1.305 202 S CA 0.213 58.525 58.200 0.187 0.000 1.058 202 S CB 0.744 64.018 63.200 0.123 0.000 0.899 202 S HN 0.542 nan 8.310 nan 0.000 0.493 203 S N 4.382 120.208 115.700 0.209 0.000 2.436 203 S HA 0.043 4.514 4.470 0.001 0.000 0.228 203 S C 0.328 175.083 174.600 0.259 0.000 1.014 203 S CA -0.320 58.009 58.200 0.215 0.000 0.950 203 S CB -0.428 62.920 63.200 0.247 0.000 0.784 203 S HN 0.734 nan 8.310 nan 0.000 0.504 204 W N 3.607 124.924 121.300 0.029 0.000 2.223 204 W HA 0.318 4.979 4.660 0.001 0.000 0.334 204 W C 1.091 177.565 176.519 -0.075 0.000 1.334 204 W CA -0.943 56.392 57.345 -0.017 0.000 1.246 204 W CB -0.240 29.206 29.460 -0.024 0.000 1.184 204 W HN 0.285 nan 8.180 nan 0.000 0.563 205 H N 2.265 121.414 119.070 0.131 0.000 2.607 205 H HA 0.020 4.577 4.556 0.001 0.000 0.367 205 H C 1.277 176.662 175.328 0.096 0.000 1.181 205 H CA 0.214 56.315 56.048 0.088 0.000 1.402 205 H CB 1.061 30.835 29.762 0.020 0.000 1.474 205 H HN 0.425 nan 8.280 nan 0.000 0.596 206 K N 1.441 121.983 120.400 0.236 0.000 2.097 206 K HA -0.175 4.145 4.320 0.001 0.000 0.206 206 K C 1.418 178.104 176.600 0.144 0.000 1.049 206 K CA 1.492 57.883 56.287 0.174 0.000 0.933 206 K CB 0.249 32.838 32.500 0.148 0.000 0.717 206 K HN 0.477 nan 8.250 nan 0.000 0.442 207 E N 0.970 121.255 120.200 0.142 0.000 2.038 207 E HA -0.190 4.160 4.350 0.001 0.000 0.195 207 E C 1.656 178.364 176.600 0.180 0.000 1.000 207 E CA 1.776 58.259 56.400 0.139 0.000 0.803 207 E CB -0.229 29.533 29.700 0.104 0.000 0.750 207 E HN 0.293 nan 8.360 nan 0.000 0.448 208 D N -0.382 120.035 120.400 0.029 0.000 2.149 208 D HA -0.146 4.495 4.640 0.001 0.000 0.198 208 D C 1.923 178.082 176.300 -0.235 0.000 0.990 208 D CA 1.193 55.027 54.000 -0.277 0.000 0.839 208 D CB -0.471 39.927 40.800 -0.670 0.000 0.948 208 D HN 0.026 nan 8.370 nan 0.000 0.460 209 S N -0.534 115.176 115.700 0.017 0.000 2.383 209 S HA -0.070 4.401 4.470 0.001 0.000 0.227 209 S C 1.900 176.594 174.600 0.157 0.000 1.026 209 S CA 0.410 58.735 58.200 0.208 0.000 0.981 209 S CB -0.044 63.327 63.200 0.285 0.000 0.818 209 S HN 0.095 nan 8.310 nan 0.000 0.472 210 I N 1.523 122.161 120.570 0.114 0.000 2.202 210 I HA -0.127 4.044 4.170 0.001 0.000 0.242 210 I C 2.291 178.443 176.117 0.060 0.000 1.091 210 I CA 1.408 62.750 61.300 0.069 0.000 1.368 210 I CB -1.846 36.166 38.000 0.019 0.000 1.058 210 I HN 0.442 nan 8.210 nan 0.000 0.410 211 H N 0.765 119.841 119.070 0.011 0.000 2.325 211 H HA -0.169 4.388 4.556 0.002 0.000 0.293 211 H C 2.482 177.834 175.328 0.040 0.000 1.106 211 H CA 2.126 58.187 56.048 0.023 0.000 1.247 211 H CB -0.217 29.543 29.762 -0.003 0.000 1.359 211 H HN 0.143 nan 8.280 nan 0.000 0.488 212 V N 0.198 120.209 119.914 0.163 0.000 2.255 212 V HA -0.233 3.888 4.120 0.001 0.000 0.247 212 V C 2.807 178.975 176.094 0.122 0.000 1.051 212 V CA 1.944 64.337 62.300 0.154 0.000 1.018 212 V CB -1.127 30.826 31.823 0.216 0.000 0.641 212 V HN 0.566 nan 8.190 nan 0.000 0.445 213 G N -0.399 108.473 108.800 0.119 0.000 2.421 213 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 213 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 213 G C 1.687 176.625 174.900 0.064 0.000 1.171 213 G CA 1.207 46.359 45.100 0.086 0.000 0.775 213 G HN 0.362 nan 8.290 nan 0.000 0.543 214 V N 1.135 121.088 119.914 0.065 0.000 2.255 214 V HA -0.169 3.951 4.120 0.001 0.000 0.247 214 V C 2.991 179.135 176.094 0.084 0.000 1.051 214 V CA 1.896 64.256 62.300 0.099 0.000 1.018 214 V CB -0.413 31.454 31.823 0.072 0.000 0.641 214 V HN 0.232 nan 8.190 nan 0.000 0.445 215 R N -0.674 119.823 120.500 -0.004 0.000 2.148 215 R HA -0.072 4.269 4.340 0.001 0.000 0.227 215 R C 2.181 178.327 176.300 -0.256 0.000 1.103 215 R CA 1.342 57.336 56.100 -0.176 0.000 0.983 215 R CB -1.633 28.541 30.300 -0.209 0.000 0.874 215 R HN 0.508 nan 8.270 nan 0.000 0.451 216 C N 0.265 119.493 119.300 -0.119 0.000 2.457 216 C HA 0.098 4.559 4.460 0.001 0.000 0.278 216 C C 2.704 177.648 174.990 -0.076 0.000 1.309 216 C CA 0.058 59.014 59.018 -0.103 0.000 1.735 216 C CB -0.734 26.996 27.740 -0.017 0.000 1.992 216 C HN 0.355 nan 8.230 nan 0.000 0.493 217 I N 0.658 121.224 120.570 -0.007 0.000 2.353 217 I HA -0.164 4.007 4.170 0.001 0.000 0.248 217 I C 2.655 178.787 176.117 0.025 0.000 1.119 217 I CA 1.347 62.680 61.300 0.054 0.000 1.417 217 I CB -0.590 37.497 38.000 0.145 0.000 1.078 217 I HN 0.416 nan 8.210 nan 0.000 0.421 218 E N 1.238 121.386 120.200 -0.086 0.000 2.085 218 E HA -0.239 4.112 4.350 0.001 0.000 0.194 218 E C 2.255 178.648 176.600 -0.344 0.000 0.994 218 E CA 1.375 57.508 56.400 -0.445 0.000 0.801 218 E CB 0.011 29.337 29.700 -0.624 0.000 0.743 218 E HN 0.447 nan 8.360 nan 0.000 0.453 219 M N 0.024 119.444 119.600 -0.300 0.000 2.558 219 M HA -0.042 4.439 4.480 0.001 0.000 0.255 219 M C 1.822 178.032 176.300 -0.150 0.000 1.113 219 M CA 0.187 55.332 55.300 -0.258 0.000 1.097 219 M CB 0.278 32.683 32.600 -0.326 0.000 1.426 219 M HN 0.130 nan 8.290 nan 0.000 0.488 220 L N 0.314 121.471 121.223 -0.110 0.000 2.509 220 L HA 0.229 4.570 4.340 0.001 0.000 0.222 220 L C 0.401 177.246 176.870 -0.042 0.000 1.123 220 L CA 0.927 55.728 54.840 -0.066 0.000 0.856 220 L CB 0.196 42.225 42.059 -0.049 0.000 0.985 220 L HN 0.097 nan 8.230 nan 0.000 0.456 221 I N -0.068 120.477 120.570 -0.042 0.000 2.412 221 I HA 0.275 4.446 4.170 0.001 0.000 0.279 221 I C 0.476 176.570 176.117 -0.037 0.000 1.063 221 I CA 0.034 61.330 61.300 -0.006 0.000 1.193 221 I CB 0.879 38.915 38.000 0.060 0.000 1.370 221 I HN 0.161 nan 8.210 nan 0.000 0.479 222 E N 2.620 122.808 120.200 -0.020 0.000 2.476 222 E HA -0.034 4.317 4.350 0.001 0.000 0.267 222 E C 0.304 176.904 176.600 -0.000 0.000 1.111 222 E CA 0.241 56.628 56.400 -0.021 0.000 1.903 222 E CB 0.495 30.165 29.700 -0.050 0.000 3.037 222 E HN 0.306 nan 8.360 nan 0.000 1.041 223 S N 0.686 116.387 115.700 0.003 0.000 3.275 223 S HA -0.178 4.292 4.470 0.001 0.000 0.385 223 S C 0.434 175.023 174.600 -0.019 0.000 0.887 223 S CA 0.897 59.093 58.200 -0.008 0.000 1.346 223 S CB -1.092 62.095 63.200 -0.021 0.000 0.955 223 S HN 0.505 nan 8.310 nan 0.000 0.587 224 T N 2.881 117.432 114.554 -0.004 0.000 2.953 224 T HA 0.290 4.640 4.350 0.001 0.000 0.247 224 T C 1.183 175.916 174.700 0.055 0.000 1.029 224 T CA 0.662 62.779 62.100 0.029 0.000 1.144 224 T CB -0.107 68.784 68.868 0.038 0.000 0.870 224 T HN 0.949 nan 8.240 nan 0.000 0.446 225 G N 0.752 109.591 108.800 0.066 0.000 2.325 225 G HA2 0.491 4.452 3.960 0.001 0.000 0.298 225 G HA3 0.491 4.452 3.960 0.001 0.000 0.298 225 G C 0.592 175.535 174.900 0.073 0.000 1.134 225 G CA -0.551 44.580 45.100 0.052 0.000 0.876 225 G HN 0.231 nan 8.290 nan 0.000 0.452 226 M N 2.819 122.399 119.600 -0.032 0.000 2.156 226 M HA 0.052 4.533 4.480 0.001 0.000 0.264 226 M C 0.765 176.993 176.300 -0.121 0.000 1.067 226 M CA 1.334 56.496 55.300 -0.230 0.000 1.131 226 M CB 0.149 32.510 32.600 -0.399 0.000 1.368 226 M HN 0.367 nan 8.290 nan 0.000 0.416 227 V N -0.671 119.218 119.914 -0.041 0.000 2.769 227 V HA 0.698 4.819 4.120 0.001 0.000 0.312 227 V C -0.422 175.713 176.094 0.067 0.000 1.061 227 V CA -0.820 61.487 62.300 0.012 0.000 0.931 227 V CB 1.428 33.249 31.823 -0.004 0.000 1.010 227 V HN 0.351 nan 8.190 nan 0.000 0.433 228 S N 3.569 119.318 115.700 0.081 0.000 2.593 228 S HA 0.793 5.264 4.470 0.001 0.000 0.297 228 S C -0.717 173.948 174.600 0.109 0.000 1.112 228 S CA -0.716 57.549 58.200 0.109 0.000 1.043 228 S CB 1.675 64.941 63.200 0.109 0.000 1.054 228 S HN 1.256 nan 8.310 nan 0.000 0.516 229 L N 3.358 124.656 121.223 0.126 0.000 2.297 229 L HA 0.403 4.744 4.340 0.001 0.000 0.277 229 L C -0.446 176.463 176.870 0.064 0.000 1.040 229 L CA -0.133 54.749 54.840 0.070 0.000 0.867 229 L CB 0.222 42.292 42.059 0.018 0.000 1.244 229 L HN 0.935 nan 8.230 nan 0.000 0.433 230 H N 4.994 124.048 119.070 -0.026 0.000 2.488 230 H HA 0.330 4.887 4.556 0.002 0.000 0.322 230 H C -0.572 174.716 175.328 -0.066 0.000 1.078 230 H CA -0.672 55.352 56.048 -0.040 0.000 1.260 230 H CB 1.176 30.926 29.762 -0.020 0.000 1.425 230 H HN 0.638 nan 8.280 nan 0.000 0.471 231 R N 3.774 124.020 120.500 -0.423 0.000 2.390 231 R HA 0.123 4.464 4.340 0.001 0.000 0.291 231 R C -0.753 175.417 176.300 -0.216 0.000 1.070 231 R CA -0.500 55.426 56.100 -0.290 0.000 1.014 231 R CB 0.569 30.674 30.300 -0.325 0.000 1.007 231 R HN 0.652 nan 8.270 nan 0.000 0.466 232 Q N 2.324 122.076 119.800 -0.079 0.000 2.345 232 Q HA 0.175 4.516 4.340 0.001 0.000 0.268 232 Q C -0.431 175.551 176.000 -0.030 0.000 1.054 232 Q CA -0.700 55.096 55.803 -0.011 0.000 0.835 232 Q CB 1.748 30.506 28.738 0.034 0.000 1.339 232 Q HN 0.815 nan 8.270 nan 0.000 0.447 233 N N 0.058 118.749 118.700 -0.015 0.000 2.716 233 N HA -0.239 4.502 4.740 0.001 0.000 0.250 233 N C -0.548 174.942 175.510 -0.034 0.000 1.033 233 N CA 0.327 53.366 53.050 -0.019 0.000 0.727 233 N CB -0.638 37.842 38.487 -0.012 0.000 0.950 233 N HN 0.673 nan 8.380 nan 0.000 0.541 234 A N 0.272 123.061 122.820 -0.051 0.000 2.524 234 A HA 0.402 4.723 4.320 0.001 0.000 0.271 234 A C 1.617 179.176 177.584 -0.042 0.000 1.097 234 A CA 1.098 53.099 52.037 -0.060 0.000 0.791 234 A CB -0.389 18.561 19.000 -0.082 0.000 1.028 234 A HN 0.895 nan 8.150 nan 0.000 0.518 235 G N 1.410 110.188 108.800 -0.036 0.000 2.481 235 G HA2 -0.138 3.823 3.960 0.001 0.000 0.200 235 G HA3 -0.138 3.823 3.960 0.001 0.000 0.200 235 G C 0.154 175.041 174.900 -0.021 0.000 1.012 235 G CA -0.123 44.961 45.100 -0.027 0.000 0.676 235 G HN 1.295 nan 8.290 nan 0.000 0.488 236 V N 2.741 122.642 119.914 -0.021 0.000 2.470 236 V HA 0.299 4.419 4.120 0.001 0.000 0.276 236 V C 1.984 178.068 176.094 -0.016 0.000 1.040 236 V CA 0.257 62.548 62.300 -0.016 0.000 1.008 236 V CB 1.436 33.250 31.823 -0.014 0.000 0.990 236 V HN 0.217 nan 8.190 nan 0.000 0.477 237 V N 4.454 124.359 119.914 -0.014 0.000 2.594 237 V HA -0.106 4.015 4.120 0.001 0.000 0.253 237 V C 2.146 178.233 176.094 -0.012 0.000 1.069 237 V CA 2.353 64.645 62.300 -0.013 0.000 1.082 237 V CB -0.817 30.999 31.823 -0.012 0.000 0.680 237 V HN 1.029 nan 8.190 nan 0.000 0.469 238 G N -1.653 107.140 108.800 -0.012 0.000 2.762 238 G HA2 0.002 3.963 3.960 0.001 0.000 0.209 238 G HA3 0.002 3.963 3.960 0.001 0.000 0.209 238 G C 1.321 176.214 174.900 -0.011 0.000 1.134 238 G CA 0.110 45.204 45.100 -0.011 0.000 0.781 238 G HN 0.526 nan 8.290 nan 0.000 0.528 239 Q N -0.300 119.493 119.800 -0.012 0.000 2.280 239 Q HA 0.111 4.452 4.340 0.001 0.000 0.228 239 Q C -0.220 175.771 176.000 -0.014 0.000 0.857 239 Q CA -0.443 55.353 55.803 -0.011 0.000 0.939 239 Q CB 0.876 29.607 28.738 -0.010 0.000 1.114 239 Q HN 0.210 nan 8.270 nan 0.000 0.514 240 D N 1.907 122.295 120.400 -0.019 0.000 2.450 240 D HA 0.070 4.711 4.640 0.001 0.000 0.247 240 D C -0.484 175.800 176.300 -0.027 0.000 1.162 240 D CA 0.551 54.535 54.000 -0.027 0.000 0.879 240 D CB 0.685 41.466 40.800 -0.031 0.000 1.163 240 D HN 0.154 nan 8.370 nan 0.000 0.472 241 S N 2.146 117.827 115.700 -0.032 0.000 2.625 241 S HA 0.533 5.004 4.470 0.001 0.000 0.271 241 S C -0.900 173.672 174.600 -0.045 0.000 1.161 241 S CA -1.070 57.111 58.200 -0.031 0.000 0.820 241 S CB 1.821 65.011 63.200 -0.017 0.000 1.137 241 S HN 0.272 nan 8.310 nan 0.000 0.470 242 E N 1.270 121.442 120.200 -0.047 0.000 2.145 242 E HA 0.559 4.910 4.350 0.001 0.000 0.262 242 E C -0.781 175.794 176.600 -0.040 0.000 0.883 242 E CA -0.259 56.103 56.400 -0.064 0.000 0.748 242 E CB 1.365 31.017 29.700 -0.081 0.000 1.140 242 E HN 0.782 nan 8.360 nan 0.000 0.417 243 T N 1.803 116.346 114.554 -0.017 0.000 2.855 243 T HA 0.524 4.875 4.350 0.001 0.000 0.281 243 T C 0.158 174.868 174.700 0.017 0.000 1.007 243 T CA -0.945 61.158 62.100 0.005 0.000 1.009 243 T CB 0.730 69.613 68.868 0.026 0.000 0.983 243 T HN 0.242 nan 8.240 nan 0.000 0.455 244 I N 2.419 122.996 120.570 0.011 0.000 2.396 244 I HA 0.365 4.536 4.170 0.001 0.000 0.289 244 I C 0.412 176.546 176.117 0.028 0.000 1.056 244 I CA -0.183 61.130 61.300 0.021 0.000 1.365 244 I CB 0.868 38.877 38.000 0.014 0.000 1.407 244 I HN 0.835 nan 8.210 nan 0.000 0.509 245 E N 5.249 125.473 120.200 0.040 0.000 2.183 245 E HA 0.405 4.756 4.350 0.001 0.000 0.271 245 E C -1.191 175.428 176.600 0.031 0.000 0.919 245 E CA -0.758 55.659 56.400 0.028 0.000 0.781 245 E CB 1.679 31.391 29.700 0.021 0.000 1.140 245 E HN 0.380 nan 8.360 nan 0.000 0.402 246 L N 3.771 125.010 121.223 0.026 0.000 2.319 246 L HA 0.549 4.890 4.340 0.001 0.000 0.280 246 L C -0.358 176.556 176.870 0.073 0.000 1.099 246 L CA -0.034 54.828 54.840 0.037 0.000 0.828 246 L CB 0.612 42.689 42.059 0.030 0.000 1.150 246 L HN 0.675 nan 8.230 nan 0.000 0.442 247 A N 7.817 130.712 122.820 0.125 0.000 2.540 247 A HA 0.276 4.597 4.320 0.001 0.000 0.239 247 A C -1.378 176.290 177.584 0.140 0.000 1.061 247 A CA -0.514 51.617 52.037 0.157 0.000 0.758 247 A CB -0.561 18.587 19.000 0.246 0.000 0.991 247 A HN 0.806 nan 8.150 nan 0.000 0.502 248 P HA -0.203 nan 4.420 nan 0.000 0.217 248 P C 0.747 178.040 177.300 -0.011 0.000 1.148 248 P CA 1.612 64.724 63.100 0.021 0.000 0.834 248 P CB 0.185 31.885 31.700 -0.001 0.000 0.783 249 E N -0.956 119.205 120.200 -0.064 0.000 2.110 249 E HA -0.175 4.176 4.350 0.001 0.000 0.193 249 E C 1.995 178.426 176.600 -0.280 0.000 0.988 249 E CA 1.336 57.602 56.400 -0.222 0.000 0.804 249 E CB -0.953 28.516 29.700 -0.386 0.000 0.745 249 E HN 0.460 nan 8.360 nan 0.000 0.458 250 Y N -0.427 119.859 120.300 -0.023 0.000 2.397 250 Y HA 0.187 4.738 4.550 0.001 0.000 0.292 250 Y C 2.209 178.093 175.900 -0.027 0.000 1.115 250 Y CA 0.559 58.641 58.100 -0.031 0.000 1.208 250 Y CB -0.369 38.073 38.460 -0.031 0.000 1.046 250 Y HN 0.037 nan 8.280 nan 0.000 0.552 251 A N 0.536 123.430 122.820 0.122 0.000 1.933 251 A HA -0.188 4.133 4.320 0.001 0.000 0.218 251 A C 1.785 179.387 177.584 0.029 0.000 1.175 251 A CA 1.756 53.831 52.037 0.064 0.000 0.628 251 A CB -0.498 18.530 19.000 0.047 0.000 0.814 251 A HN 0.505 nan 8.150 nan 0.000 0.444 252 E N -0.790 119.414 120.200 0.007 0.000 2.489 252 E HA 0.256 4.607 4.350 0.001 0.000 0.193 252 E C 0.842 177.434 176.600 -0.014 0.000 1.057 252 E CA 0.330 56.725 56.400 -0.008 0.000 0.866 252 E CB 0.073 29.760 29.700 -0.021 0.000 0.916 252 E HN 0.545 nan 8.360 nan 0.000 0.500 253 A N 1.202 124.017 122.820 -0.008 0.000 2.637 253 A HA 0.235 4.556 4.320 0.001 0.000 0.293 253 A C 0.711 178.299 177.584 0.006 0.000 1.216 253 A CA -0.477 51.552 52.037 -0.013 0.000 0.956 253 A CB -0.478 18.497 19.000 -0.041 0.000 1.174 253 A HN 0.249 nan 8.150 nan 0.000 0.525 265 S N 2.191 117.836 115.700 -0.093 0.000 4.012 265 S HA -0.063 4.408 4.470 0.001 0.000 0.494 265 S C 0.304 174.873 174.600 -0.050 0.000 0.810 265 S CA 0.035 58.170 58.200 -0.108 0.000 1.309 265 S CB -0.794 62.317 63.200 -0.147 0.000 0.822 265 S HN 0.311 nan 8.310 nan 0.000 0.644 266 L N 2.981 124.205 121.223 0.002 0.000 2.627 266 L HA 0.162 4.503 4.340 0.001 0.000 0.232 266 L C 2.287 179.106 176.870 -0.085 0.000 1.150 266 L CA 0.388 55.258 54.840 0.050 0.000 0.917 266 L CB -1.102 40.989 42.059 0.053 0.000 1.104 266 L HN 0.627 nan 8.230 nan 0.000 0.445 267 M N -0.137 119.330 119.600 -0.221 0.000 2.080 267 M HA -0.128 4.353 4.480 0.001 0.000 0.260 267 M C 0.240 176.052 176.300 -0.812 0.000 1.068 267 M CA 1.491 56.430 55.300 -0.602 0.000 1.109 267 M CB -0.403 31.695 32.600 -0.837 0.000 1.342 267 M HN 0.038 nan 8.290 nan 0.000 0.405 268 F N 0.336 120.273 119.950 -0.022 0.000 2.434 268 F HA 0.420 4.948 4.527 0.001 0.000 0.367 268 F C 0.196 176.098 175.800 0.169 0.000 1.093 268 F CA -0.759 57.267 58.000 0.043 0.000 1.085 268 F CB 0.479 39.540 39.000 0.102 0.000 1.322 268 F HN 0.046 nan 8.300 nan 0.000 0.452 269 Q N 2.928 122.897 119.800 0.281 0.000 2.333 269 Q HA 0.543 4.884 4.340 0.001 0.000 0.266 269 Q C -2.445 173.725 176.000 0.284 0.000 1.053 269 Q CA -2.238 53.737 55.803 0.286 0.000 0.890 269 Q CB 1.826 30.701 28.738 0.228 0.000 1.337 269 Q HN 0.199 nan 8.270 nan 0.000 0.474 270 P HA 0.074 nan 4.420 nan 0.000 0.273 270 P C -0.968 176.250 177.300 -0.136 0.000 1.250 270 P CA -0.291 62.693 63.100 -0.193 0.000 0.793 270 P CB 0.534 31.801 31.700 -0.722 0.000 1.011 271 C N 0.355 119.575 119.300 -0.134 0.000 2.358 271 C HA 0.219 4.680 4.460 0.001 0.000 0.342 271 C C 1.992 177.048 174.990 0.110 0.000 1.234 271 C CA -0.237 58.819 59.018 0.065 0.000 1.969 271 C CB 0.857 28.669 27.740 0.120 0.000 2.346 271 C HN 0.374 nan 8.230 nan 0.000 0.525 272 V N 2.375 122.405 119.914 0.193 0.000 3.354 272 V HA 0.034 4.154 4.120 0.001 0.000 0.258 272 V C 0.622 176.968 176.094 0.419 0.000 1.159 272 V CA 0.756 63.252 62.300 0.326 0.000 1.125 272 V CB -0.510 31.507 31.823 0.323 0.000 0.774 272 V HN 0.809 nan 8.190 nan 0.000 0.464 273 V N -3.678 116.281 119.914 0.074 0.000 3.001 273 V HA 0.679 4.800 4.120 0.001 0.000 0.314 273 V C -3.041 172.483 176.094 -0.951 0.000 1.099 273 V CA -3.164 58.808 62.300 -0.547 0.000 0.989 273 V CB 1.633 32.962 31.823 -0.823 0.000 1.040 273 V HN -0.014 nan 8.190 nan 0.000 0.434 274 P HA 0.250 nan 4.420 nan 0.000 0.262 274 P C -2.638 174.411 177.300 -0.419 0.000 1.182 274 P CA -0.391 61.820 63.100 -1.481 0.000 0.761 274 P CB -0.333 30.716 31.700 -1.085 0.000 0.795 275 P HA 0.046 nan 4.420 nan 0.000 0.270 275 P C -0.147 176.980 177.300 -0.288 0.000 1.223 275 P CA -0.123 62.877 63.100 -0.166 0.000 0.785 275 P CB 0.430 32.002 31.700 -0.213 0.000 0.923 276 K N 3.198 123.076 120.400 -0.870 0.000 2.412 276 K HA 0.139 4.460 4.320 0.001 0.000 0.281 276 K C -2.247 173.977 176.600 -0.626 0.000 1.027 276 K CA -1.512 54.146 56.287 -1.050 0.000 0.989 276 K CB -0.360 31.134 32.500 -1.677 0.000 0.935 276 K HN 0.281 nan 8.250 nan 0.000 0.475 277 P HA -0.050 nan 4.420 nan 0.000 0.268 277 P C -1.109 176.071 177.300 -0.200 0.000 1.205 277 P CA 0.038 63.029 63.100 -0.182 0.000 0.771 277 P CB 0.292 31.945 31.700 -0.078 0.000 0.858 278 W N 2.265 123.556 121.300 -0.016 0.000 2.368 278 W HA 0.130 4.791 4.660 0.001 0.000 0.316 278 W C 1.103 177.666 176.519 0.073 0.000 1.375 278 W CA 0.475 57.869 57.345 0.082 0.000 1.261 278 W CB -0.048 29.530 29.460 0.196 0.000 1.298 278 W HN 0.357 nan 8.180 nan 0.000 0.539 279 T N 1.058 115.724 114.554 0.186 0.000 2.999 279 T HA 0.299 4.650 4.350 0.001 0.000 0.247 279 T C 0.717 175.359 174.700 -0.097 0.000 1.012 279 T CA 0.446 62.523 62.100 -0.039 0.000 1.048 279 T CB 0.455 69.300 68.868 -0.038 0.000 1.020 279 T HN 0.511 nan 8.240 nan 0.000 0.478 280 G N 0.799 109.725 108.800 0.210 0.000 2.975 280 G HA2 0.537 4.498 3.960 0.001 0.000 0.291 280 G HA3 0.537 4.498 3.960 0.001 0.000 0.291 280 G C 0.667 175.888 174.900 0.535 0.000 1.334 280 G CA -0.525 44.753 45.100 0.297 0.000 0.843 280 G HN 0.259 nan 8.290 nan 0.000 0.548 281 I N -1.325 119.485 120.570 0.400 0.000 2.454 281 I HA 0.111 4.282 4.170 0.001 0.000 0.254 281 I C 1.043 177.401 176.117 0.401 0.000 1.156 281 I CA 1.441 62.940 61.300 0.331 0.000 1.433 281 I CB -0.849 37.304 38.000 0.256 0.000 1.082 281 I HN 0.419 nan 8.210 nan 0.000 0.432 282 T N -3.003 111.797 114.554 0.410 0.000 2.887 282 T HA 0.688 5.039 4.350 0.001 0.000 0.292 282 T C 0.681 175.488 174.700 0.179 0.000 1.087 282 T CA -0.160 62.172 62.100 0.387 0.000 1.009 282 T CB 1.704 70.715 68.868 0.239 0.000 1.203 282 T HN 0.490 nan 8.240 nan 0.000 0.518 283 G N -0.418 108.364 108.800 -0.029 0.000 2.195 283 G HA2 -0.018 3.943 3.960 0.001 0.000 0.246 283 G HA3 -0.018 3.943 3.960 0.001 0.000 0.246 283 G C 0.580 175.091 174.900 -0.648 0.000 0.984 283 G CA 0.215 45.168 45.100 -0.246 0.000 0.633 283 G HN 1.357 nan 8.290 nan 0.000 0.525 284 G N -1.230 106.742 108.800 -1.380 0.000 2.599 284 G HA2 0.612 4.573 3.960 0.001 0.000 0.264 284 G HA3 0.612 4.573 3.960 0.001 0.000 0.264 284 G C 1.424 175.387 174.900 -1.562 0.000 1.200 284 G CA 1.475 45.287 45.100 -2.146 0.000 0.896 284 G HN 1.840 nan 8.290 nan 0.000 0.536 285 G N -0.466 107.630 108.800 -1.174 0.000 4.163 285 G HA2 -0.272 3.689 3.960 0.001 0.000 0.300 285 G HA3 -0.272 3.689 3.960 0.001 0.000 0.300 285 G C 0.491 174.951 174.900 -0.733 0.000 1.488 285 G CA 0.621 45.298 45.100 -0.705 0.000 1.052 285 G HN 0.807 nan 8.290 nan 0.000 0.687 286 Y N -0.043 120.027 120.300 -0.383 0.000 2.260 286 Y HA 0.498 5.049 4.550 0.001 0.000 0.339 286 Y C 1.383 177.012 175.900 -0.451 0.000 1.317 286 Y CA 0.480 58.412 58.100 -0.279 0.000 1.514 286 Y CB 0.377 38.775 38.460 -0.104 0.000 1.382 286 Y HN 0.490 nan 8.280 nan 0.000 0.581 287 W N -0.879 120.470 121.300 0.082 0.000 3.063 287 W HA 0.466 5.127 4.660 0.001 0.000 0.246 287 W C 0.526 177.044 176.519 -0.001 0.000 1.145 287 W CA 0.319 57.664 57.345 0.001 0.000 1.510 287 W CB -0.221 29.241 29.460 0.004 0.000 0.904 287 W HN 0.483 nan 8.180 nan 0.000 0.679 288 A N 1.573 124.512 122.820 0.198 0.000 2.531 288 A HA 0.039 4.360 4.320 0.001 0.000 0.236 288 A C 0.792 178.408 177.584 0.055 0.000 1.062 288 A CA 0.338 52.438 52.037 0.106 0.000 0.760 288 A CB 0.116 19.038 19.000 -0.131 0.000 0.995 288 A HN 0.260 nan 8.150 nan 0.000 0.501 289 N N 0.998 119.772 118.700 0.124 0.000 2.236 289 N HA 0.136 4.877 4.740 0.001 0.000 0.196 289 N C 0.783 176.405 175.510 0.186 0.000 1.114 289 N CA 0.880 54.005 53.050 0.126 0.000 0.859 289 N CB 0.765 39.330 38.487 0.130 0.000 0.982 289 N HN 0.717 nan 8.380 nan 0.000 0.493 290 G N 0.528 109.433 108.800 0.175 0.000 4.486 290 G HA2 0.235 4.196 3.960 0.001 0.000 0.306 290 G HA3 0.235 4.196 3.960 0.001 0.000 0.306 290 G C 0.856 175.674 174.900 -0.137 0.000 1.331 290 G CA -0.409 44.817 45.100 0.210 0.000 1.113 290 G HN 0.312 nan 8.290 nan 0.000 0.594 291 R N -0.888 119.255 120.500 -0.594 0.000 2.871 291 R HA 0.427 4.768 4.340 0.001 0.000 0.176 291 R C 0.617 176.192 176.300 -1.208 0.000 0.830 291 R CA -0.203 55.427 56.100 -0.783 0.000 1.160 291 R CB 0.658 30.628 30.300 -0.550 0.000 1.614 291 R HN 0.141 nan 8.270 nan 0.000 0.596 292 R N 1.463 121.265 120.500 -1.162 0.000 8.095 292 R HA -0.017 4.324 4.340 0.001 0.000 0.278 292 R C -2.965 173.207 176.300 -0.213 0.000 0.810 292 R CA -0.306 55.406 56.100 -0.646 0.000 1.983 292 R CB -0.409 29.622 30.300 -0.448 0.000 1.357 292 R HN 0.254 nan 8.270 nan 0.000 0.979 293 P HA 0.178 nan 4.420 nan 0.000 0.273 293 P C -0.297 177.040 177.300 0.061 0.000 1.250 293 P CA -0.324 62.782 63.100 0.010 0.000 0.793 293 P CB 0.588 32.316 31.700 0.047 0.000 1.011 294 L N 0.274 121.567 121.223 0.116 0.000 2.357 294 L HA 0.553 4.894 4.340 0.001 0.000 0.273 294 L C 0.810 177.888 176.870 0.347 0.000 1.080 294 L CA -1.010 53.961 54.840 0.218 0.000 0.803 294 L CB 0.967 43.216 42.059 0.317 0.000 1.174 294 L HN 0.380 nan 8.230 nan 0.000 0.443 295 A N 1.718 124.667 122.820 0.214 0.000 2.327 295 A HA 0.335 4.655 4.320 0.001 0.000 0.283 295 A C 0.623 178.213 177.584 0.009 0.000 1.127 295 A CA -0.492 51.655 52.037 0.182 0.000 0.810 295 A CB 0.798 19.861 19.000 0.104 0.000 1.066 295 A HN 0.780 nan 8.150 nan 0.000 0.492 296 L N 3.345 124.425 121.223 -0.238 0.000 2.046 296 L HA -0.004 4.336 4.340 0.001 0.000 0.208 296 L C 0.488 177.051 176.870 -0.511 0.000 1.077 296 L CA 2.000 56.332 54.840 -0.846 0.000 0.747 296 L CB -0.110 41.507 42.059 -0.736 0.000 0.896 296 L HN 0.438 nan 8.230 nan 0.000 0.432 297 V N 0.976 120.700 119.914 -0.317 0.000 2.448 297 V HA 0.369 4.490 4.120 0.001 0.000 0.295 297 V C -0.019 176.050 176.094 -0.042 0.000 1.025 297 V CA -0.780 61.386 62.300 -0.222 0.000 0.859 297 V CB 1.397 32.962 31.823 -0.430 0.000 0.988 297 V HN 0.129 nan 8.190 nan 0.000 0.431 298 R N 3.106 123.606 120.500 -0.000 0.000 2.248 298 R HA 0.434 4.774 4.340 0.001 0.000 0.337 298 R C 0.391 176.826 176.300 0.225 0.000 1.085 298 R CA -0.157 55.982 56.100 0.065 0.000 0.934 298 R CB 0.599 30.877 30.300 -0.036 0.000 1.034 298 R HN 0.910 nan 8.270 nan 0.000 0.465 299 T N -2.141 112.609 114.554 0.325 0.000 2.938 299 T HA 0.154 4.505 4.350 0.001 0.000 0.285 299 T C 1.175 176.127 174.700 0.421 0.000 1.028 299 T CA -0.862 61.459 62.100 0.368 0.000 1.005 299 T CB 1.294 70.330 68.868 0.281 0.000 1.157 299 T HN 0.722 nan 8.240 nan 0.000 0.550 300 H N -0.625 118.531 119.070 0.144 0.000 2.548 300 H HA 0.316 4.873 4.556 0.001 0.000 0.265 300 H C 0.294 175.634 175.328 0.021 0.000 0.969 300 H CA 0.210 56.331 56.048 0.121 0.000 1.155 300 H CB -0.237 29.498 29.762 -0.045 0.000 1.394 300 H HN 0.719 nan 8.280 nan 0.000 0.570 301 S N -0.830 114.447 115.700 -0.705 0.000 2.588 301 S HA 0.221 4.692 4.470 0.001 0.000 0.269 301 S C 0.609 174.254 174.600 -1.592 0.000 1.157 301 S CA -0.737 56.736 58.200 -1.211 0.000 0.824 301 S CB 2.970 65.626 63.200 -0.907 0.000 1.126 301 S HN 0.172 nan 8.310 nan 0.000 0.464 302 K N 1.103 120.392 120.400 -1.851 0.000 2.057 302 K HA -0.079 4.242 4.320 0.001 0.000 0.207 302 K C 1.980 178.203 176.600 -0.628 0.000 1.049 302 K CA 1.497 56.944 56.287 -1.401 0.000 0.931 302 K CB -0.349 31.664 32.500 -0.810 0.000 0.714 302 K HN 0.642 nan 8.250 nan 0.000 0.440 303 K N 0.302 120.387 120.400 -0.526 0.000 2.044 303 K HA -0.176 4.145 4.320 0.001 0.000 0.210 303 K C 1.980 178.375 176.600 -0.342 0.000 1.049 303 K CA 1.465 57.536 56.287 -0.359 0.000 0.927 303 K CB -0.269 32.039 32.500 -0.320 0.000 0.713 303 K HN 0.253 nan 8.250 nan 0.000 0.443 304 A N 1.206 123.797 122.820 -0.382 0.000 1.978 304 A HA -0.168 4.153 4.320 0.001 0.000 0.220 304 A C 2.027 179.589 177.584 -0.036 0.000 1.170 304 A CA 1.467 53.354 52.037 -0.251 0.000 0.636 304 A CB -0.507 18.371 19.000 -0.204 0.000 0.810 304 A HN 0.427 nan 8.150 nan 0.000 0.448 305 L N -1.287 119.936 121.223 0.001 0.000 2.131 305 L HA -0.015 4.325 4.340 0.001 0.000 0.206 305 L C 2.096 179.068 176.870 0.170 0.000 1.087 305 L CA 1.579 56.537 54.840 0.196 0.000 0.767 305 L CB -0.412 41.784 42.059 0.229 0.000 0.917 305 L HN 0.252 nan 8.230 nan 0.000 0.441 306 M N -0.657 118.935 119.600 -0.014 0.000 2.446 306 M HA -0.107 4.374 4.480 0.001 0.000 0.263 306 M C 2.098 178.339 176.300 -0.098 0.000 1.066 306 M CA 1.168 56.448 55.300 -0.034 0.000 1.087 306 M CB -1.145 31.399 32.600 -0.093 0.000 1.406 306 M HN 0.285 nan 8.290 nan 0.000 0.459 307 R N -1.203 119.140 120.500 -0.261 0.000 2.328 307 R HA -0.113 4.228 4.340 0.001 0.000 0.207 307 R C 1.067 177.129 176.300 -0.396 0.000 1.056 307 R CA 0.864 56.628 56.100 -0.561 0.000 1.016 307 R CB -0.077 29.408 30.300 -1.359 0.000 0.872 307 R HN 0.405 nan 8.270 nan 0.000 0.471 308 Y N -0.413 119.855 120.300 -0.054 0.000 2.458 308 Y HA 0.075 4.626 4.550 0.001 0.000 0.254 308 Y C 2.125 178.091 175.900 0.110 0.000 1.120 308 Y CA -0.161 57.987 58.100 0.080 0.000 1.282 308 Y CB 0.182 38.698 38.460 0.093 0.000 1.109 308 Y HN 0.051 nan 8.280 nan 0.000 0.526 309 E N 0.815 121.136 120.200 0.201 0.000 2.065 309 E HA -0.228 4.122 4.350 0.001 0.000 0.201 309 E C -0.222 176.478 176.600 0.168 0.000 1.016 309 E CA 1.654 58.156 56.400 0.171 0.000 0.818 309 E CB 0.005 29.767 29.700 0.103 0.000 0.749 309 E HN 0.250 nan 8.360 nan 0.000 0.453 310 D N -0.289 120.191 120.400 0.132 0.000 2.434 310 D HA 0.156 4.797 4.640 0.001 0.000 0.275 310 D C -0.048 176.343 176.300 0.151 0.000 1.172 310 D CA -0.098 53.981 54.000 0.133 0.000 0.916 310 D CB 1.709 42.560 40.800 0.086 0.000 1.041 310 D HN -0.040 nan 8.370 nan 0.000 0.501 311 V N 0.625 120.667 119.914 0.214 0.000 2.911 311 V HA 0.089 4.209 4.120 0.001 0.000 0.237 311 V C -0.034 176.244 176.094 0.307 0.000 1.156 311 V CA -0.193 62.240 62.300 0.221 0.000 1.180 311 V CB -0.085 31.867 31.823 0.215 0.000 0.932 311 V HN 0.604 nan 8.190 nan 0.000 0.483 312 Y N 1.878 122.284 120.300 0.176 0.000 2.895 312 Y HA -0.214 4.337 4.550 0.001 0.000 0.063 312 Y C -0.188 175.822 175.900 0.184 0.000 2.123 312 Y CA 0.398 58.594 58.100 0.160 0.000 1.099 312 Y CB -0.682 37.837 38.460 0.099 0.000 1.776 312 Y HN 0.439 nan 8.280 nan 0.000 0.306 313 M N 6.485 126.069 119.600 -0.025 0.000 2.693 313 M HA 0.422 4.902 4.480 0.001 0.000 0.224 313 M C -2.358 173.943 176.300 0.002 0.000 1.149 313 M CA -1.678 53.614 55.300 -0.013 0.000 0.622 313 M CB 1.329 34.002 32.600 0.121 0.000 1.443 313 M HN 0.077 nan 8.290 nan 0.000 0.431 314 P HA -0.205 nan 4.420 nan 0.000 0.215 314 P C 0.913 178.218 177.300 0.009 0.000 1.157 314 P CA 1.727 64.748 63.100 -0.131 0.000 0.874 314 P CB 0.059 31.602 31.700 -0.262 0.000 0.790 315 E N -0.391 119.796 120.200 -0.022 0.000 2.153 315 E HA -0.084 4.267 4.350 0.001 0.000 0.194 315 E C 2.178 178.765 176.600 -0.022 0.000 0.988 315 E CA 0.744 57.140 56.400 -0.007 0.000 0.811 315 E CB -0.856 28.839 29.700 -0.008 0.000 0.746 315 E HN 0.172 nan 8.360 nan 0.000 0.466 316 V N 0.373 120.274 119.914 -0.022 0.000 2.283 316 V HA -0.238 3.883 4.120 0.001 0.000 0.243 316 V C 2.038 178.041 176.094 -0.153 0.000 1.039 316 V CA 1.538 63.773 62.300 -0.108 0.000 1.016 316 V CB -0.754 31.020 31.823 -0.082 0.000 0.650 316 V HN 0.168 nan 8.190 nan 0.000 0.449 317 Y N 0.706 120.975 120.300 -0.052 0.000 2.165 317 Y HA -0.254 4.297 4.550 0.001 0.000 0.286 317 Y C 2.572 178.452 175.900 -0.034 0.000 1.155 317 Y CA 2.178 60.260 58.100 -0.029 0.000 1.164 317 Y CB -0.377 38.093 38.460 0.016 0.000 0.978 317 Y HN 0.159 nan 8.280 nan 0.000 0.513 318 K N 0.163 120.628 120.400 0.108 0.000 2.032 318 K HA -0.209 4.111 4.320 0.001 0.000 0.209 318 K C 2.327 178.892 176.600 -0.060 0.000 1.048 318 K CA 1.330 57.631 56.287 0.024 0.000 0.927 318 K CB -0.380 32.129 32.500 0.015 0.000 0.712 318 K HN 0.237 nan 8.250 nan 0.000 0.441 319 A N 1.426 124.186 122.820 -0.100 0.000 1.865 319 A HA -0.172 4.149 4.320 0.001 0.000 0.217 319 A C 2.045 179.500 177.584 -0.215 0.000 1.191 319 A CA 1.662 53.587 52.037 -0.186 0.000 0.623 319 A CB -0.649 18.232 19.000 -0.198 0.000 0.826 319 A HN 0.315 nan 8.150 nan 0.000 0.444 320 I N 0.721 121.180 120.570 -0.184 0.000 2.163 320 I HA -0.275 3.896 4.170 0.001 0.000 0.243 320 I C 2.049 178.150 176.117 -0.028 0.000 1.085 320 I CA 1.804 63.005 61.300 -0.164 0.000 1.347 320 I CB -2.096 35.770 38.000 -0.223 0.000 1.044 320 I HN 0.455 nan 8.210 nan 0.000 0.408 321 N N 0.795 119.522 118.700 0.045 0.000 2.104 321 N HA -0.151 4.589 4.740 0.001 0.000 0.190 321 N C 1.982 177.494 175.510 0.003 0.000 1.024 321 N CA 1.037 54.138 53.050 0.085 0.000 0.853 321 N CB -0.092 38.450 38.487 0.091 0.000 1.008 321 N HN 0.312 nan 8.380 nan 0.000 0.424 322 I N 1.023 121.533 120.570 -0.100 0.000 2.202 322 I HA -0.206 3.965 4.170 0.001 0.000 0.242 322 I C 2.521 178.604 176.117 -0.057 0.000 1.091 322 I CA 0.745 61.954 61.300 -0.152 0.000 1.368 322 I CB -0.374 37.430 38.000 -0.327 0.000 1.058 322 I HN 0.140 nan 8.210 nan 0.000 0.410 323 A N 0.111 122.826 122.820 -0.175 0.000 1.902 323 A HA -0.284 4.036 4.320 0.001 0.000 0.217 323 A C 2.332 179.909 177.584 -0.013 0.000 1.181 323 A CA 1.813 53.713 52.037 -0.229 0.000 0.623 323 A CB -0.729 17.925 19.000 -0.576 0.000 0.818 323 A HN 0.487 nan 8.150 nan 0.000 0.443 324 Q N -0.658 119.214 119.800 0.120 0.000 2.084 324 Q HA -0.225 4.116 4.340 0.001 0.000 0.202 324 Q C 1.736 177.987 176.000 0.417 0.000 0.978 324 Q CA 1.751 57.824 55.803 0.450 0.000 0.844 324 Q CB -0.176 28.759 28.738 0.330 0.000 0.898 324 Q HN 0.650 nan 8.270 nan 0.000 0.426 325 N N -0.179 118.686 118.700 0.275 0.000 2.571 325 N HA -0.038 4.703 4.740 0.001 0.000 0.189 325 N C -0.647 175.155 175.510 0.487 0.000 1.154 325 N CA 0.361 53.580 53.050 0.282 0.000 0.907 325 N CB 0.114 38.680 38.487 0.131 0.000 0.977 325 N HN 0.052 nan 8.380 nan 0.000 0.449 326 T N 0.889 115.714 114.554 0.452 0.000 2.829 326 T HA 0.246 4.596 4.350 0.001 0.000 0.293 326 T C 0.010 174.803 174.700 0.155 0.000 0.970 326 T CA -0.149 62.127 62.100 0.292 0.000 1.168 326 T CB 0.600 69.636 68.868 0.280 0.000 0.911 326 T HN 0.238 nan 8.240 nan 0.000 0.535 327 A N 4.406 127.140 122.820 -0.143 0.000 2.302 327 A HA 0.550 4.870 4.320 0.001 0.000 0.295 327 A C -0.595 176.648 177.584 -0.568 0.000 1.235 327 A CA -0.723 50.928 52.037 -0.642 0.000 0.876 327 A CB 0.131 18.854 19.000 -0.461 0.000 1.133 327 A HN 0.860 nan 8.150 nan 0.000 0.533 328 W N 1.562 122.534 121.300 -0.547 0.000 2.578 328 W HA 0.666 5.327 4.660 0.002 0.000 0.364 328 W C 0.415 176.780 176.519 -0.257 0.000 1.144 328 W CA -0.279 56.916 57.345 -0.249 0.000 1.242 328 W CB 1.504 30.951 29.460 -0.022 0.000 1.382 328 W HN 0.728 nan 8.180 nan 0.000 0.625 329 K N 0.162 120.673 120.400 0.185 0.000 2.556 329 K HA 0.543 4.864 4.320 0.001 0.000 0.274 329 K C -1.297 175.423 176.600 0.201 0.000 0.966 329 K CA -0.906 55.457 56.287 0.127 0.000 0.865 329 K CB 1.284 33.817 32.500 0.055 0.000 1.444 329 K HN 0.192 nan 8.250 nan 0.000 0.433 330 I N 2.375 123.057 120.570 0.188 0.000 2.496 330 I HA 0.050 4.221 4.170 0.001 0.000 0.285 330 I C 0.100 176.294 176.117 0.130 0.000 1.080 330 I CA -0.279 61.137 61.300 0.193 0.000 1.404 330 I CB 0.508 38.619 38.000 0.185 0.000 1.403 330 I HN 0.714 nan 8.210 nan 0.000 0.539 331 N N 6.689 125.466 118.700 0.128 0.000 2.508 331 N HA 0.037 4.778 4.740 0.001 0.000 0.253 331 N C 1.015 176.545 175.510 0.034 0.000 1.145 331 N CA 0.091 53.190 53.050 0.081 0.000 0.973 331 N CB 0.373 38.926 38.487 0.112 0.000 1.305 331 N HN 0.434 nan 8.380 nan 0.000 0.506 332 K N 2.113 122.513 120.400 -0.000 0.000 2.089 332 K HA -0.211 4.110 4.320 0.001 0.000 0.210 332 K C 1.427 177.972 176.600 -0.093 0.000 1.048 332 K CA 1.525 57.791 56.287 -0.034 0.000 0.926 332 K CB 0.179 32.653 32.500 -0.044 0.000 0.714 332 K HN 0.456 nan 8.250 nan 0.000 0.448 333 K N 0.493 120.771 120.400 -0.205 0.000 2.057 333 K HA -0.117 4.204 4.320 0.001 0.000 0.207 333 K C 2.102 178.569 176.600 -0.223 0.000 1.049 333 K CA 1.345 57.364 56.287 -0.447 0.000 0.931 333 K CB -0.079 31.773 32.500 -1.079 0.000 0.714 333 K HN -0.035 nan 8.250 nan 0.000 0.440 334 V N 1.446 121.351 119.914 -0.016 0.000 2.453 334 V HA -0.200 3.921 4.120 0.001 0.000 0.247 334 V C 2.113 178.278 176.094 0.119 0.000 1.048 334 V CA 1.172 63.574 62.300 0.169 0.000 1.049 334 V CB -0.324 31.623 31.823 0.207 0.000 0.672 334 V HN 0.256 nan 8.190 nan 0.000 0.457 335 L N 1.192 122.444 121.223 0.048 0.000 2.083 335 L HA -0.040 4.300 4.340 0.001 0.000 0.209 335 L C 2.425 179.310 176.870 0.026 0.000 1.083 335 L CA 2.260 57.113 54.840 0.021 0.000 0.752 335 L CB -0.925 41.140 42.059 0.009 0.000 0.899 335 L HN 0.212 nan 8.230 nan 0.000 0.433 336 A N -1.312 121.520 122.820 0.019 0.000 1.972 336 A HA -0.115 4.206 4.320 0.001 0.000 0.219 336 A C 2.180 179.811 177.584 0.078 0.000 1.169 336 A CA 1.959 54.014 52.037 0.029 0.000 0.635 336 A CB -0.848 18.149 19.000 -0.005 0.000 0.810 336 A HN 0.330 nan 8.150 nan 0.000 0.446 337 V N -0.641 119.349 119.914 0.127 0.000 2.379 337 V HA -0.077 4.044 4.120 0.001 0.000 0.243 337 V C 2.999 179.203 176.094 0.185 0.000 1.035 337 V CA 1.472 63.885 62.300 0.190 0.000 1.035 337 V CB -1.216 30.762 31.823 0.258 0.000 0.673 337 V HN 0.553 nan 8.190 nan 0.000 0.457 338 A N 0.702 123.660 122.820 0.231 0.000 1.940 338 A HA -0.252 4.069 4.320 0.001 0.000 0.219 338 A C 1.999 179.602 177.584 0.032 0.000 1.176 338 A CA 2.124 54.259 52.037 0.164 0.000 0.631 338 A CB -0.706 18.239 19.000 -0.092 0.000 0.814 338 A HN 0.587 nan 8.150 nan 0.000 0.446 339 N N -0.271 118.438 118.700 0.015 0.000 2.309 339 N HA -0.077 4.663 4.740 0.001 0.000 0.182 339 N C 1.535 177.039 175.510 -0.010 0.000 1.018 339 N CA 1.532 54.581 53.050 -0.002 0.000 0.876 339 N CB -0.136 38.355 38.487 0.006 0.000 0.972 339 N HN 0.357 nan 8.380 nan 0.000 0.434 340 V N 1.483 121.379 119.914 -0.031 0.000 2.581 340 V HA -0.006 4.115 4.120 0.001 0.000 0.240 340 V C 2.225 178.039 176.094 -0.466 0.000 1.054 340 V CA 0.605 62.866 62.300 -0.064 0.000 1.076 340 V CB -0.331 31.536 31.823 0.073 0.000 0.748 340 V HN 0.218 nan 8.190 nan 0.000 0.474 341 I N 0.613 120.779 120.570 -0.673 0.000 2.353 341 I HA -0.133 4.037 4.170 0.001 0.000 0.248 341 I C 2.412 178.161 176.117 -0.614 0.000 1.119 341 I CA 1.986 62.518 61.300 -1.279 0.000 1.417 341 I CB -1.203 36.305 38.000 -0.821 0.000 1.078 341 I HN 0.408 nan 8.210 nan 0.000 0.421 342 T N -1.872 112.552 114.554 -0.218 0.000 3.098 342 T HA 0.032 4.383 4.350 0.001 0.000 0.266 342 T C 1.581 176.274 174.700 -0.012 0.000 1.145 342 T CA 0.599 62.670 62.100 -0.048 0.000 1.092 342 T CB -0.314 68.561 68.868 0.011 0.000 0.908 342 T HN 0.356 nan 8.240 nan 0.000 0.526 343 K N -0.384 119.992 120.400 -0.040 0.000 2.393 343 K HA 0.114 4.435 4.320 0.001 0.000 0.193 343 K C -0.063 176.701 176.600 0.273 0.000 1.026 343 K CA -0.137 56.210 56.287 0.100 0.000 1.064 343 K CB 0.209 32.780 32.500 0.117 0.000 0.833 343 K HN 0.454 nan 8.250 nan 0.000 0.521 344 W N 2.252 123.597 121.300 0.076 0.000 2.202 344 W HA 0.160 4.820 4.660 0.001 0.000 0.332 344 W C 1.306 177.864 176.519 0.066 0.000 1.263 344 W CA -1.170 56.218 57.345 0.071 0.000 1.223 344 W CB 0.377 29.883 29.460 0.075 0.000 1.128 344 W HN -0.193 nan 8.180 nan 0.000 0.573 345 K N 0.745 121.319 120.400 0.290 0.000 2.148 345 K HA -0.169 4.151 4.320 0.001 0.000 0.204 345 K C 0.275 177.012 176.600 0.228 0.000 1.050 345 K CA 1.257 57.662 56.287 0.197 0.000 0.942 345 K CB -0.148 32.434 32.500 0.137 0.000 0.724 345 K HN 0.431 nan 8.250 nan 0.000 0.446 346 H N -0.156 119.005 119.070 0.151 0.000 2.423 346 H HA 0.183 4.739 4.556 0.001 0.000 0.237 346 H C -1.190 174.257 175.328 0.198 0.000 1.391 346 H CA -0.803 55.319 56.048 0.123 0.000 1.453 346 H CB 0.070 29.869 29.762 0.063 0.000 1.484 346 H HN 0.073 nan 8.280 nan 0.000 0.505 347 C N 5.362 124.706 119.300 0.074 0.000 2.648 347 C HA 0.159 4.619 4.460 0.001 0.000 0.419 347 C C -0.545 174.422 174.990 -0.039 0.000 1.352 347 C CA -1.256 57.831 59.018 0.115 0.000 1.816 347 C CB 0.375 28.144 27.740 0.048 0.000 2.598 347 C HN 0.747 nan 8.230 nan 0.000 0.598 348 P HA -0.054 nan 4.420 nan 0.000 0.225 348 P C 0.338 177.519 177.300 -0.199 0.000 1.148 348 P CA 1.095 64.136 63.100 -0.098 0.000 0.779 348 P CB -0.471 31.154 31.700 -0.125 0.000 0.780 349 V N -2.458 117.342 119.914 -0.189 0.000 2.509 349 V HA 0.285 4.405 4.120 0.001 0.000 0.284 349 V C 1.196 177.234 176.094 -0.094 0.000 1.047 349 V CA -0.516 61.683 62.300 -0.168 0.000 0.952 349 V CB 1.173 32.908 31.823 -0.148 0.000 0.988 349 V HN -0.157 nan 8.190 nan 0.000 0.469 350 E N 1.635 121.785 120.200 -0.082 0.000 2.418 350 E HA -0.103 4.248 4.350 0.001 0.000 0.197 350 E C 0.635 177.225 176.600 -0.017 0.000 1.026 350 E CA 1.075 57.442 56.400 -0.054 0.000 0.862 350 E CB 0.229 29.899 29.700 -0.050 0.000 0.799 350 E HN 0.837 nan 8.360 nan 0.000 0.518 351 D N 0.430 120.836 120.400 0.010 0.000 2.290 351 D HA -0.013 4.627 4.640 0.001 0.000 0.224 351 D C 0.738 177.065 176.300 0.044 0.000 0.967 351 D CA 0.086 54.108 54.000 0.038 0.000 0.893 351 D CB 0.171 41.013 40.800 0.070 0.000 1.037 351 D HN 0.003 nan 8.370 nan 0.000 0.477 352 I N 4.583 125.193 120.570 0.065 0.000 3.192 352 I HA -0.078 4.092 4.170 0.001 0.000 0.314 352 I C -1.874 174.266 176.117 0.038 0.000 1.243 352 I CA -0.740 60.600 61.300 0.066 0.000 1.404 352 I CB -1.255 36.794 38.000 0.082 0.000 1.374 352 I HN -0.031 nan 8.210 nan 0.000 0.522 353 P HA 0.369 nan 4.420 nan 0.000 0.281 353 P C -0.614 176.708 177.300 0.036 0.000 1.264 353 P CA -0.711 62.408 63.100 0.031 0.000 0.824 353 P CB 0.911 32.629 31.700 0.031 0.000 1.092 354 A N 1.860 124.699 122.820 0.033 0.000 2.483 354 A HA 0.378 4.699 4.320 0.001 0.000 0.238 354 A C 1.489 179.095 177.584 0.037 0.000 1.070 354 A CA 0.611 52.671 52.037 0.039 0.000 0.770 354 A CB -1.141 17.878 19.000 0.032 0.000 1.008 354 A HN 0.936 nan 8.150 nan 0.000 0.497 355 I N -3.266 117.330 120.570 0.043 0.000 4.286 355 I HA -0.206 3.965 4.170 0.001 0.000 0.080 355 I C -0.402 175.745 176.117 0.049 0.000 0.549 355 I CA 1.558 62.891 61.300 0.055 0.000 1.177 355 I CB -1.386 36.659 38.000 0.075 0.000 1.045 355 I HN 0.553 nan 8.210 nan 0.000 0.171 356 E N 1.766 121.989 120.200 0.039 0.000 2.278 356 E HA 0.450 4.800 4.350 0.001 0.000 0.272 356 E C 0.078 176.686 176.600 0.014 0.000 0.890 356 E CA -0.568 55.850 56.400 0.030 0.000 0.770 356 E CB 2.032 31.754 29.700 0.036 0.000 1.212 356 E HN 0.323 nan 8.360 nan 0.000 0.415 357 R N 1.288 121.791 120.500 0.004 0.000 2.117 357 R HA -0.115 4.226 4.340 0.001 0.000 0.243 357 R C 0.172 176.455 176.300 -0.030 0.000 1.143 357 R CA 0.913 57.005 56.100 -0.014 0.000 0.968 357 R CB 0.056 30.345 30.300 -0.018 0.000 0.863 357 R HN 0.582 nan 8.270 nan 0.000 0.444 358 E N 1.622 121.809 120.200 -0.022 0.000 5.642 358 E HA -0.168 4.183 4.350 0.001 0.000 0.186 358 E C -1.178 175.387 176.600 -0.060 0.000 1.588 358 E CA 0.452 56.834 56.400 -0.029 0.000 1.263 358 E CB -0.502 29.184 29.700 -0.023 0.000 1.005 358 E HN 0.393 nan 8.360 nan 0.000 0.322 359 E N 2.342 122.512 120.200 -0.050 0.000 2.410 359 E HA 0.228 4.579 4.350 0.001 0.000 0.255 359 E C 0.576 177.124 176.600 -0.087 0.000 1.194 359 E CA -0.385 55.975 56.400 -0.067 0.000 0.955 359 E CB 0.487 30.168 29.700 -0.032 0.000 0.988 359 E HN 0.352 nan 8.360 nan 0.000 0.461 360 L N 2.700 123.859 121.223 -0.106 0.000 2.380 360 L HA 0.275 4.615 4.340 0.001 0.000 0.273 360 L C -1.894 174.948 176.870 -0.047 0.000 1.138 360 L CA -1.747 53.016 54.840 -0.128 0.000 0.832 360 L CB -0.019 41.948 42.059 -0.153 0.000 1.124 360 L HN 0.331 nan 8.230 nan 0.000 0.454 361 P HA 0.367 nan 4.420 nan 0.000 0.296 361 P C -0.272 177.104 177.300 0.127 0.000 1.301 361 P CA -0.612 62.504 63.100 0.027 0.000 0.862 361 P CB 2.276 33.974 31.700 -0.004 0.000 1.046 362 M N 0.122 120.044 119.600 0.537 0.000 1.893 362 M HA 0.108 4.589 4.480 0.001 0.000 0.389 362 M C -1.183 175.282 176.300 0.276 0.000 0.807 362 M CA 0.060 55.538 55.300 0.297 0.000 1.178 362 M CB 0.554 33.270 32.600 0.193 0.000 2.351 362 M HN 0.335 nan 8.290 nan 0.000 0.819 363 K N 2.148 122.752 120.400 0.339 0.000 5.905 363 K HA -0.052 4.268 4.320 0.001 0.000 0.743 363 K C -2.660 173.905 176.600 -0.058 0.000 1.570 363 K CA -0.115 56.166 56.287 -0.010 0.000 1.628 363 K CB -1.337 31.177 32.500 0.023 0.000 2.100 363 K HN 0.289 nan 8.250 nan 0.000 0.325 369 M N 2.123 121.674 119.600 -0.081 0.000 2.385 369 M HA 0.282 4.763 4.480 0.001 0.000 0.346 369 M C -0.790 175.474 176.300 -0.059 0.000 1.180 369 M CA -0.506 54.741 55.300 -0.089 0.000 1.154 369 M CB 0.238 32.782 32.600 -0.093 0.000 1.251 369 M HN 0.428 nan 8.290 nan 0.000 0.430 370 N N 1.317 119.986 118.700 -0.051 0.000 2.647 370 N HA 0.622 5.362 4.740 0.001 0.000 0.266 370 N C -2.796 172.699 175.510 -0.024 0.000 1.373 370 N CA -1.778 51.253 53.050 -0.032 0.000 0.807 370 N CB 0.107 38.578 38.487 -0.026 0.000 1.513 370 N HN -0.088 nan 8.380 nan 0.000 0.505 371 P HA -0.319 nan 4.420 nan 0.000 0.240 371 P C 0.532 177.832 177.300 0.001 0.000 0.765 371 P CA 2.528 65.625 63.100 -0.006 0.000 1.100 371 P CB -0.088 31.610 31.700 -0.004 0.000 0.753 372 E N -0.909 119.294 120.200 0.004 0.000 2.476 372 E HA 0.268 4.619 4.350 0.001 0.000 0.191 372 E C 1.337 177.949 176.600 0.019 0.000 1.064 372 E CA 0.474 56.883 56.400 0.015 0.000 0.866 372 E CB -0.367 29.343 29.700 0.015 0.000 0.952 372 E HN 0.209 nan 8.360 nan 0.000 0.492 373 A N 0.911 123.732 122.820 0.002 0.000 2.218 373 A HA 0.190 4.511 4.320 0.001 0.000 0.209 373 A C 1.827 179.399 177.584 -0.020 0.000 1.168 373 A CA 0.019 52.052 52.037 -0.008 0.000 0.804 373 A CB -0.117 18.863 19.000 -0.033 0.000 0.834 373 A HN 0.298 nan 8.150 nan 0.000 0.482 374 L N 0.064 121.282 121.223 -0.008 0.000 2.607 374 L HA -0.008 4.332 4.340 0.001 0.000 0.228 374 L C 2.507 179.434 176.870 0.094 0.000 1.123 374 L CA 0.816 55.656 54.840 -0.001 0.000 0.890 374 L CB -0.456 41.592 42.059 -0.018 0.000 1.103 374 L HN 0.543 nan 8.230 nan 0.000 0.468 375 T N -1.171 113.439 114.554 0.093 0.000 2.565 375 T HA -0.261 4.090 4.350 0.001 0.000 0.265 375 T C 1.459 176.257 174.700 0.163 0.000 1.082 375 T CA 1.786 63.950 62.100 0.107 0.000 1.173 375 T CB -0.167 68.747 68.868 0.077 0.000 0.864 375 T HN 0.400 nan 8.240 nan 0.000 0.425 376 A N -1.756 121.207 122.820 0.238 0.000 1.748 376 A HA 0.529 4.850 4.320 0.001 0.000 0.171 376 A C 1.289 179.015 177.584 0.236 0.000 1.736 376 A CA 0.830 53.021 52.037 0.256 0.000 1.179 376 A CB -0.883 18.317 19.000 0.333 0.000 0.961 376 A HN 0.639 nan 8.150 nan 0.000 0.653 377 W N -0.185 121.126 121.300 0.020 0.000 0.912 377 W HA -0.368 4.294 4.660 0.003 0.000 0.229 377 W C 1.606 178.146 176.519 0.036 0.000 1.164 377 W CA 2.482 59.844 57.345 0.027 0.000 1.347 377 W CB -1.265 28.210 29.460 0.024 0.000 1.635 377 W HN 0.289 nan 8.180 nan 0.000 0.444 378 K N 0.324 120.936 120.400 0.353 0.000 2.211 378 K HA -0.222 4.099 4.320 0.001 0.000 0.204 378 K C 1.906 178.496 176.600 -0.017 0.000 1.047 378 K CA 1.740 58.104 56.287 0.129 0.000 0.935 378 K CB -0.386 32.267 32.500 0.254 0.000 0.728 378 K HN 0.343 nan 8.250 nan 0.000 0.452 379 R N 0.622 121.131 120.500 0.015 0.000 2.075 379 R HA -0.036 4.305 4.340 0.001 0.000 0.226 379 R C 2.162 178.432 176.300 -0.050 0.000 1.114 379 R CA 1.183 57.278 56.100 -0.008 0.000 0.972 379 R CB -0.126 30.185 30.300 0.018 0.000 0.869 379 R HN 0.131 nan 8.270 nan 0.000 0.437 380 A N 0.684 123.455 122.820 -0.081 0.000 1.969 380 A HA 0.008 4.329 4.320 0.001 0.000 0.218 380 A C 2.285 179.758 177.584 -0.185 0.000 1.169 380 A CA 1.398 53.366 52.037 -0.115 0.000 0.635 380 A CB -0.579 18.357 19.000 -0.106 0.000 0.810 380 A HN 0.532 nan 8.150 nan 0.000 0.445 381 A N -0.015 122.611 122.820 -0.322 0.000 1.873 381 A HA 0.231 4.552 4.320 0.001 0.000 0.215 381 A C 2.468 180.056 177.584 0.006 0.000 1.186 381 A CA 1.799 53.659 52.037 -0.296 0.000 0.616 381 A CB -1.023 17.606 19.000 -0.618 0.000 0.823 381 A HN 1.046 nan 8.150 nan 0.000 0.442 382 A N -0.336 122.464 122.820 -0.034 0.000 2.070 382 A HA 0.208 4.529 4.320 0.001 0.000 0.220 382 A C 2.343 179.947 177.584 0.033 0.000 1.159 382 A CA 1.856 53.898 52.037 0.009 0.000 0.656 382 A CB -0.714 18.262 19.000 -0.041 0.000 0.800 382 A HN 0.952 nan 8.150 nan 0.000 0.453 383 A N -0.691 122.127 122.820 -0.004 0.000 1.898 383 A HA 0.110 4.430 4.320 0.001 0.000 0.214 383 A C 2.172 179.754 177.584 -0.003 0.000 1.183 383 A CA 1.514 53.547 52.037 -0.007 0.000 0.622 383 A CB -0.659 18.326 19.000 -0.024 0.000 0.824 383 A HN 0.325 nan 8.150 nan 0.000 0.444 384 V N -1.506 118.393 119.914 -0.025 0.000 2.323 384 V HA -0.241 3.880 4.120 0.001 0.000 0.244 384 V C 2.314 178.372 176.094 -0.060 0.000 1.041 384 V CA 1.744 64.003 62.300 -0.068 0.000 1.025 384 V CB -1.116 30.621 31.823 -0.143 0.000 0.656 384 V HN 0.628 nan 8.190 nan 0.000 0.451 385 Y N 0.492 120.746 120.300 -0.076 0.000 2.193 385 Y HA -0.276 4.273 4.550 -0.002 0.000 0.285 385 Y C 2.784 178.662 175.900 -0.037 0.000 1.166 385 Y CA 2.367 60.435 58.100 -0.054 0.000 1.181 385 Y CB -0.284 38.140 38.460 -0.060 0.000 0.976 385 Y HN 0.101 nan 8.280 nan 0.000 0.520 386 R N 0.691 121.263 120.500 0.120 0.000 2.062 386 R HA -0.153 4.188 4.340 0.001 0.000 0.231 386 R C 2.116 178.434 176.300 0.030 0.000 1.136 386 R CA 1.604 57.740 56.100 0.059 0.000 0.948 386 R CB -0.145 30.176 30.300 0.035 0.000 0.845 386 R HN 0.235 nan 8.270 nan 0.000 0.430 387 K N 0.387 120.794 120.400 0.012 0.000 2.020 387 K HA -0.223 4.098 4.320 0.001 0.000 0.212 387 K C 1.902 178.500 176.600 -0.004 0.000 1.050 387 K CA 2.007 58.294 56.287 -0.000 0.000 0.929 387 K CB -0.387 32.105 32.500 -0.013 0.000 0.714 387 K HN 0.212 nan 8.250 nan 0.000 0.443 388 D N 0.802 121.190 120.400 -0.020 0.000 2.104 388 D HA -0.191 4.450 4.640 0.001 0.000 0.194 388 D C 1.861 178.159 176.300 -0.002 0.000 0.994 388 D CA 1.425 55.409 54.000 -0.027 0.000 0.830 388 D CB 0.030 40.786 40.800 -0.073 0.000 0.959 388 D HN 0.109 nan 8.370 nan 0.000 0.452 389 K N -0.125 120.284 120.400 0.015 0.000 2.009 389 K HA -0.185 4.136 4.320 0.001 0.000 0.210 389 K C 2.065 178.677 176.600 0.020 0.000 1.049 389 K CA 1.570 57.872 56.287 0.026 0.000 0.929 389 K CB -0.320 32.205 32.500 0.042 0.000 0.714 389 K HN 0.114 nan 8.250 nan 0.000 0.440 390 A N 1.786 124.618 122.820 0.019 0.000 1.908 390 A HA -0.211 4.110 4.320 0.001 0.000 0.218 390 A C 2.207 179.802 177.584 0.017 0.000 1.181 390 A CA 1.743 53.791 52.037 0.017 0.000 0.627 390 A CB -0.681 18.329 19.000 0.016 0.000 0.818 390 A HN 0.480 nan 8.150 nan 0.000 0.445 391 R N -0.082 120.426 120.500 0.014 0.000 2.075 391 R HA -0.139 4.201 4.340 0.001 0.000 0.232 391 R C 2.044 178.355 176.300 0.018 0.000 1.126 391 R CA 1.820 57.930 56.100 0.015 0.000 0.963 391 R CB -0.296 30.009 30.300 0.009 0.000 0.858 391 R HN 0.520 nan 8.270 nan 0.000 0.435 392 K N 0.398 120.807 120.400 0.015 0.000 2.026 392 K HA -0.123 4.198 4.320 0.001 0.000 0.208 392 K C 2.244 178.857 176.600 0.021 0.000 1.048 392 K CA 2.040 58.337 56.287 0.017 0.000 0.929 392 K CB -0.145 32.364 32.500 0.014 0.000 0.713 392 K HN 0.315 nan 8.250 nan 0.000 0.439 393 S N 0.959 116.670 115.700 0.019 0.000 2.382 393 S HA -0.136 4.335 4.470 0.001 0.000 0.228 393 S C 1.971 176.585 174.600 0.025 0.000 1.027 393 S CA 0.862 59.073 58.200 0.018 0.000 0.991 393 S CB -0.220 62.989 63.200 0.015 0.000 0.823 393 S HN 0.231 nan 8.310 nan 0.000 0.469 394 R N 0.521 121.038 120.500 0.028 0.000 2.115 394 R HA 0.161 4.502 4.340 0.001 0.000 0.226 394 R C 2.640 178.965 176.300 0.042 0.000 1.100 394 R CA 1.137 57.258 56.100 0.035 0.000 0.980 394 R CB -0.215 30.105 30.300 0.033 0.000 0.875 394 R HN 0.320 nan 8.270 nan 0.000 0.445 395 R N 1.078 121.601 120.500 0.039 0.000 2.062 395 R HA -0.027 4.314 4.340 0.001 0.000 0.229 395 R C 1.946 178.278 176.300 0.053 0.000 1.128 395 R CA 1.259 57.385 56.100 0.043 0.000 0.960 395 R CB -0.394 29.928 30.300 0.037 0.000 0.855 395 R HN 0.043 nan 8.270 nan 0.000 0.432 396 I N 0.511 121.110 120.570 0.048 0.000 2.194 396 I HA -0.274 3.897 4.170 0.001 0.000 0.246 396 I C 2.317 178.490 176.117 0.092 0.000 1.093 396 I CA 1.786 63.121 61.300 0.058 0.000 1.355 396 I CB -1.565 36.453 38.000 0.031 0.000 1.046 396 I HN 0.288 nan 8.210 nan 0.000 0.413 397 S N 0.957 116.705 115.700 0.079 0.000 2.353 397 S HA -0.215 4.255 4.470 0.001 0.000 0.222 397 S C 2.228 176.920 174.600 0.153 0.000 1.035 397 S CA 1.634 59.904 58.200 0.115 0.000 1.025 397 S CB -0.533 62.714 63.200 0.078 0.000 0.902 397 S HN 0.444 nan 8.310 nan 0.000 0.440 398 L N 1.476 122.757 121.223 0.097 0.000 2.012 398 L HA -0.141 4.200 4.340 0.001 0.000 0.210 398 L C 2.663 179.572 176.870 0.065 0.000 1.073 398 L CA 2.055 56.936 54.840 0.069 0.000 0.748 398 L CB -0.577 41.510 42.059 0.046 0.000 0.891 398 L HN 0.324 nan 8.230 nan 0.000 0.431 399 E N -0.349 119.898 120.200 0.078 0.000 2.085 399 E HA -0.298 4.053 4.350 0.001 0.000 0.194 399 E C 1.987 178.634 176.600 0.079 0.000 0.994 399 E CA 1.833 58.272 56.400 0.065 0.000 0.801 399 E CB -0.559 29.186 29.700 0.075 0.000 0.743 399 E HN 0.612 nan 8.360 nan 0.000 0.453 400 F N 1.219 121.166 119.950 -0.005 0.000 2.113 400 F HA -0.180 4.348 4.527 0.001 0.000 0.297 400 F C 2.357 178.137 175.800 -0.033 0.000 1.103 400 F CA 1.208 59.203 58.000 -0.008 0.000 1.248 400 F CB -0.032 38.980 39.000 0.020 0.000 0.999 400 F HN -0.098 nan 8.300 nan 0.000 0.475 401 M N 0.045 119.657 119.600 0.019 0.000 2.149 401 M HA -0.217 4.264 4.480 0.001 0.000 0.261 401 M C 2.286 178.430 176.300 -0.261 0.000 1.064 401 M CA 1.519 56.792 55.300 -0.045 0.000 1.102 401 M CB -1.381 31.335 32.600 0.195 0.000 1.369 401 M HN 0.310 nan 8.290 nan 0.000 0.408 402 L N -0.321 120.799 121.223 -0.172 0.000 2.109 402 L HA -0.170 4.171 4.340 0.001 0.000 0.207 402 L C 2.350 179.074 176.870 -0.244 0.000 1.086 402 L CA 1.092 55.827 54.840 -0.175 0.000 0.760 402 L CB -0.482 41.518 42.059 -0.098 0.000 0.910 402 L HN 0.352 nan 8.230 nan 0.000 0.437 403 E N -0.553 119.481 120.200 -0.276 0.000 2.110 403 E HA -0.228 4.123 4.350 0.001 0.000 0.193 403 E C 2.285 178.642 176.600 -0.404 0.000 0.988 403 E CA 0.852 57.079 56.400 -0.289 0.000 0.804 403 E CB 0.070 29.623 29.700 -0.246 0.000 0.745 403 E HN 0.438 nan 8.360 nan 0.000 0.458 404 Q N 0.091 119.515 119.800 -0.626 0.000 2.016 404 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 404 Q C 2.323 178.016 176.000 -0.512 0.000 0.978 404 Q CA 1.371 56.778 55.803 -0.659 0.000 0.833 404 Q CB -0.407 27.659 28.738 -1.120 0.000 0.895 404 Q HN 0.254 nan 8.270 nan 0.000 0.427 405 A N 1.783 124.208 122.820 -0.658 0.000 1.978 405 A HA -0.205 4.116 4.320 0.001 0.000 0.220 405 A C 1.850 179.359 177.584 -0.125 0.000 1.170 405 A CA 1.544 53.403 52.037 -0.297 0.000 0.636 405 A CB -0.420 18.485 19.000 -0.157 0.000 0.810 405 A HN 0.312 nan 8.150 nan 0.000 0.448 406 N N -0.157 118.438 118.700 -0.175 0.000 2.171 406 N HA -0.089 4.652 4.740 0.001 0.000 0.184 406 N C 1.650 177.068 175.510 -0.153 0.000 1.021 406 N CA 1.239 54.212 53.050 -0.128 0.000 0.854 406 N CB -0.295 38.116 38.487 -0.128 0.000 0.994 406 N HN 0.535 nan 8.380 nan 0.000 0.426 407 K N 0.068 120.302 120.400 -0.277 0.000 2.009 407 K HA -0.076 4.244 4.320 0.001 0.000 0.210 407 K C 1.027 177.354 176.600 -0.456 0.000 1.049 407 K CA 1.218 57.219 56.287 -0.477 0.000 0.929 407 K CB -0.176 31.809 32.500 -0.858 0.000 0.714 407 K HN 0.144 nan 8.250 nan 0.000 0.440 408 F N -0.037 119.875 119.950 -0.062 0.000 2.660 408 F HA 0.225 4.752 4.527 0.001 0.000 0.302 408 F C 1.756 177.626 175.800 0.116 0.000 1.103 408 F CA -0.205 57.791 58.000 -0.007 0.000 1.340 408 F CB -0.181 38.701 39.000 -0.198 0.000 1.048 408 F HN -0.020 nan 8.300 nan 0.000 0.551 409 A N 0.935 123.853 122.820 0.163 0.000 1.917 409 A HA -0.257 4.064 4.320 0.001 0.000 0.219 409 A C 1.733 179.390 177.584 0.120 0.000 1.182 409 A CA 2.114 54.218 52.037 0.112 0.000 0.633 409 A CB -0.808 18.213 19.000 0.036 0.000 0.819 409 A HN 0.519 nan 8.150 nan 0.000 0.448 410 N N -1.154 117.619 118.700 0.122 0.000 2.235 410 N HA 0.078 4.818 4.740 0.001 0.000 0.209 410 N C -0.360 175.179 175.510 0.048 0.000 1.122 410 N CA -0.207 52.874 53.050 0.053 0.000 0.845 410 N CB 0.165 38.641 38.487 -0.019 0.000 1.004 410 N HN 0.528 nan 8.380 nan 0.000 0.499 411 H N 0.940 120.067 119.070 0.095 0.000 2.722 411 H HA 0.030 4.587 4.556 0.001 0.000 0.328 411 H C 0.967 176.361 175.328 0.111 0.000 1.067 411 H CA 0.316 56.442 56.048 0.130 0.000 1.447 411 H CB 1.898 31.794 29.762 0.224 0.000 1.469 411 H HN 0.096 nan 8.280 nan 0.000 0.544 412 K N 2.628 123.142 120.400 0.190 0.000 2.063 412 K HA -0.072 4.249 4.320 0.001 0.000 0.208 412 K C -0.038 176.695 176.600 0.221 0.000 1.048 412 K CA 1.358 57.760 56.287 0.191 0.000 0.928 412 K CB 0.294 32.899 32.500 0.175 0.000 0.713 412 K HN 0.633 nan 8.250 nan 0.000 0.442 413 A N 0.333 123.316 122.820 0.271 0.000 2.589 413 A HA 0.534 4.855 4.320 0.001 0.000 0.296 413 A C -1.048 176.378 177.584 -0.264 0.000 1.062 413 A CA -0.992 50.969 52.037 -0.127 0.000 0.686 413 A CB 0.866 19.606 19.000 -0.433 0.000 1.282 413 A HN 0.330 nan 8.150 nan 0.000 0.404 414 I N -2.410 117.835 120.570 -0.541 0.000 2.892 414 I HA 0.902 5.073 4.170 0.001 0.000 0.306 414 I C -1.082 174.545 176.117 -0.815 0.000 1.078 414 I CA -1.065 59.930 61.300 -0.509 0.000 1.032 414 I CB 2.106 39.797 38.000 -0.514 0.000 1.229 414 I HN 0.660 nan 8.210 nan 0.000 0.435 415 W N 2.193 123.177 121.300 -0.526 0.000 2.962 415 W HA 0.547 5.208 4.660 0.001 0.000 0.341 415 W C -1.854 174.185 176.519 -0.800 0.000 1.155 415 W CA -0.522 56.545 57.345 -0.463 0.000 1.165 415 W CB 2.245 31.597 29.460 -0.181 0.000 1.435 415 W HN 0.318 nan 8.180 nan 0.000 0.546 416 F N 1.411 121.446 119.950 0.142 0.000 2.496 416 F HA 0.346 4.874 4.527 0.001 0.000 0.341 416 F C -2.123 173.537 175.800 -0.234 0.000 1.134 416 F CA -2.492 55.409 58.000 -0.164 0.000 0.968 416 F CB 0.899 39.656 39.000 -0.405 0.000 1.205 416 F HN -0.279 nan 8.300 nan 0.000 0.436 417 P HA 0.059 nan 4.420 nan 0.000 0.269 417 P C -1.228 175.959 177.300 -0.187 0.000 1.209 417 P CA 0.212 63.202 63.100 -0.183 0.000 0.776 417 P CB 0.417 31.796 31.700 -0.534 0.000 0.876 418 Y N 0.926 121.306 120.300 0.134 0.000 2.468 418 Y HA 0.457 5.008 4.550 0.001 0.000 0.342 418 Y C 0.842 176.768 175.900 0.043 0.000 1.021 418 Y CA -0.111 58.034 58.100 0.076 0.000 1.079 418 Y CB 1.959 40.429 38.460 0.017 0.000 1.226 418 Y HN 0.349 nan 8.280 nan 0.000 0.460 419 N N 1.045 119.810 118.700 0.108 0.000 2.761 419 N HA 0.683 5.424 4.740 0.001 0.000 0.283 419 N C -1.616 173.855 175.510 -0.064 0.000 1.377 419 N CA -0.922 52.081 53.050 -0.078 0.000 0.791 419 N CB 1.885 40.339 38.487 -0.055 0.000 1.540 419 N HN 0.430 nan 8.380 nan 0.000 0.539 420 M N 0.985 120.491 119.600 -0.158 0.000 2.518 420 M HA 0.266 4.747 4.480 0.001 0.000 0.300 420 M C -1.379 174.872 176.300 -0.082 0.000 1.175 420 M CA -0.927 54.308 55.300 -0.109 0.000 0.890 420 M CB 2.099 34.505 32.600 -0.323 0.000 1.710 420 M HN 0.629 nan 8.290 nan 0.000 0.453 421 D N 0.766 121.148 120.400 -0.030 0.000 2.411 421 D HA 0.034 4.675 4.640 0.001 0.000 0.251 421 D C 1.037 177.337 176.300 -0.001 0.000 1.201 421 D CA -0.510 53.439 54.000 -0.085 0.000 0.996 421 D CB 0.305 40.995 40.800 -0.183 0.000 1.101 421 D HN 0.799 nan 8.370 nan 0.000 0.504 422 W N -0.378 120.959 121.300 0.062 0.000 2.436 422 W HA -0.109 4.552 4.660 0.001 0.000 0.261 422 W C -0.032 176.635 176.519 0.247 0.000 1.222 422 W CA -0.129 57.314 57.345 0.163 0.000 1.191 422 W CB -0.725 28.826 29.460 0.153 0.000 1.132 422 W HN 0.170 nan 8.180 nan 0.000 0.596 423 R N -0.164 120.069 120.500 -0.446 0.000 2.936 423 R HA 0.473 4.814 4.340 0.001 0.000 0.218 423 R C 2.112 178.284 176.300 -0.213 0.000 1.528 423 R CA -0.181 55.703 56.100 -0.360 0.000 1.005 423 R CB -0.637 29.270 30.300 -0.655 0.000 2.099 423 R HN -0.123 nan 8.270 nan 0.000 0.527 424 G N 0.516 109.123 108.800 -0.323 0.000 2.394 424 G HA2 -0.120 3.841 3.960 0.001 0.000 0.214 424 G HA3 -0.120 3.841 3.960 0.001 0.000 0.214 424 G C 0.197 174.839 174.900 -0.430 0.000 1.176 424 G CA -0.035 44.695 45.100 -0.617 0.000 0.786 424 G HN 0.215 nan 8.290 nan 0.000 0.533 425 R N 0.236 120.607 120.500 -0.214 0.000 2.489 425 R HA 0.024 4.365 4.340 0.001 0.000 0.287 425 R C -0.601 175.640 176.300 -0.098 0.000 0.902 425 R CA -0.052 55.986 56.100 -0.102 0.000 1.136 425 R CB 0.312 30.615 30.300 0.006 0.000 0.872 425 R HN 0.061 nan 8.270 nan 0.000 0.421 426 V N 5.837 125.588 119.914 -0.272 0.000 2.406 426 V HA 0.175 4.296 4.120 0.001 0.000 0.272 426 V C -0.469 175.427 176.094 -0.331 0.000 1.043 426 V CA -0.200 61.949 62.300 -0.252 0.000 0.915 426 V CB 0.325 31.951 31.823 -0.328 0.000 0.988 426 V HN 0.481 nan 8.190 nan 0.000 0.466 427 Y N 2.297 122.595 120.300 -0.003 0.000 2.429 427 Y HA 0.695 5.246 4.550 0.001 0.000 0.342 427 Y C 0.491 176.381 175.900 -0.016 0.000 1.004 427 Y CA -0.804 57.297 58.100 0.003 0.000 1.075 427 Y CB 1.778 40.213 38.460 -0.042 0.000 1.214 427 Y HN 0.679 nan 8.280 nan 0.000 0.455 428 A N 2.220 124.987 122.820 -0.087 0.000 2.362 428 A HA 0.411 4.732 4.320 0.001 0.000 0.276 428 A C 0.718 178.147 177.584 -0.259 0.000 1.153 428 A CA -0.404 51.310 52.037 -0.538 0.000 0.813 428 A CB 0.239 18.833 19.000 -0.676 0.000 1.081 428 A HN 0.798 nan 8.150 nan 0.000 0.507 429 V N 2.886 122.655 119.914 -0.242 0.000 2.358 429 V HA -0.123 3.998 4.120 0.001 0.000 0.246 429 V C 1.811 177.878 176.094 -0.046 0.000 1.047 429 V CA 2.004 64.215 62.300 -0.148 0.000 1.035 429 V CB -0.997 30.781 31.823 -0.075 0.000 0.658 429 V HN 1.010 nan 8.190 nan 0.000 0.452 430 S N -0.307 115.448 115.700 0.090 0.000 2.589 430 S HA 0.101 4.572 4.470 0.001 0.000 0.265 430 S C 0.796 175.493 174.600 0.162 0.000 1.342 430 S CA 0.053 58.409 58.200 0.259 0.000 1.005 430 S CB 0.859 64.271 63.200 0.353 0.000 0.909 430 S HN 0.214 nan 8.310 nan 0.000 0.555 431 M N 0.664 120.435 119.600 0.285 0.000 2.193 431 M HA 0.312 4.793 4.480 0.001 0.000 0.265 431 M C 0.205 176.671 176.300 0.277 0.000 1.071 431 M CA 0.848 56.308 55.300 0.267 0.000 1.140 431 M CB -0.444 32.377 32.600 0.368 0.000 1.369 431 M HN 0.720 nan 8.290 nan 0.000 0.423 432 F N 2.045 122.086 119.950 0.152 0.000 2.444 432 F HA 0.364 4.892 4.527 0.001 0.000 0.360 432 F C -0.702 174.933 175.800 -0.275 0.000 1.106 432 F CA -0.449 57.554 58.000 0.005 0.000 1.170 432 F CB -0.145 38.876 39.000 0.036 0.000 1.113 432 F HN 0.186 nan 8.300 nan 0.000 0.521 433 N N 6.470 124.682 118.700 -0.813 0.000 2.262 433 N HA 0.357 5.098 4.740 0.001 0.000 0.295 433 N C -2.370 172.478 175.510 -1.104 0.000 1.161 433 N CA -1.667 50.747 53.050 -1.059 0.000 0.767 433 N CB 2.170 40.295 38.487 -0.604 0.000 1.499 433 N HN 0.210 nan 8.380 nan 0.000 0.476 434 P HA -0.025 nan 4.420 nan 0.000 0.242 434 P C 0.061 177.066 177.300 -0.492 0.000 1.197 434 P CA 1.009 63.545 63.100 -0.940 0.000 0.765 434 P CB 0.245 31.153 31.700 -1.320 0.000 0.936 435 Q N -0.985 118.549 119.800 -0.444 0.000 2.247 435 Q HA 0.207 4.547 4.340 0.001 0.000 0.204 435 Q C 1.270 177.162 176.000 -0.180 0.000 0.872 435 Q CA -0.241 55.410 55.803 -0.254 0.000 0.951 435 Q CB 0.300 28.901 28.738 -0.229 0.000 1.099 435 Q HN 0.190 nan 8.270 nan 0.000 0.501 436 G N 1.555 110.217 108.800 -0.229 0.000 2.485 436 G HA2 0.054 4.015 3.960 0.001 0.000 0.260 436 G HA3 0.054 4.015 3.960 0.001 0.000 0.260 436 G C 0.174 175.025 174.900 -0.082 0.000 1.459 436 G CA -0.483 44.532 45.100 -0.142 0.000 1.060 436 G HN 0.313 nan 8.290 nan 0.000 0.546 437 N N -1.009 117.666 118.700 -0.041 0.000 2.322 437 N HA 0.043 4.784 4.740 0.001 0.000 0.270 437 N C 0.874 176.393 175.510 0.015 0.000 1.286 437 N CA 0.247 53.297 53.050 -0.000 0.000 0.948 437 N CB 0.100 38.602 38.487 0.025 0.000 1.164 437 N HN 0.475 nan 8.380 nan 0.000 0.551 438 D N -0.577 119.864 120.400 0.068 0.000 2.126 438 D HA -0.281 4.360 4.640 0.001 0.000 0.190 438 D C 1.811 178.204 176.300 0.155 0.000 1.001 438 D CA 2.064 56.145 54.000 0.134 0.000 0.841 438 D CB -0.116 40.802 40.800 0.196 0.000 0.949 438 D HN 0.580 nan 8.370 nan 0.000 0.446 439 M N -0.460 119.202 119.600 0.104 0.000 2.067 439 M HA -0.174 4.306 4.480 0.001 0.000 0.260 439 M C 1.966 178.186 176.300 -0.134 0.000 1.069 439 M CA 1.978 57.165 55.300 -0.189 0.000 1.117 439 M CB -0.330 32.027 32.600 -0.406 0.000 1.334 439 M HN 0.078 nan 8.290 nan 0.000 0.407 440 T N 0.857 115.370 114.554 -0.068 0.000 2.720 440 T HA -0.163 4.187 4.350 0.001 0.000 0.268 440 T C 1.719 176.316 174.700 -0.170 0.000 1.037 440 T CA 1.567 63.616 62.100 -0.085 0.000 1.144 440 T CB -0.209 68.587 68.868 -0.120 0.000 0.864 440 T HN 0.442 nan 8.240 nan 0.000 0.444 441 K N 0.525 120.858 120.400 -0.112 0.000 2.025 441 K HA -0.014 4.307 4.320 0.001 0.000 0.207 441 K C 2.708 179.330 176.600 0.036 0.000 1.049 441 K CA 1.186 57.427 56.287 -0.075 0.000 0.933 441 K CB -0.545 31.947 32.500 -0.013 0.000 0.714 441 K HN 0.379 nan 8.250 nan 0.000 0.438 442 G N 1.592 110.448 108.800 0.093 0.000 2.440 442 G HA2 -0.235 3.726 3.960 0.001 0.000 0.218 442 G HA3 -0.235 3.726 3.960 0.001 0.000 0.218 442 G C 1.442 176.425 174.900 0.139 0.000 1.154 442 G CA 0.651 45.851 45.100 0.167 0.000 0.767 442 G HN 0.121 nan 8.290 nan 0.000 0.552 443 L N -0.297 120.977 121.223 0.085 0.000 2.362 443 L HA 0.186 4.526 4.340 0.001 0.000 0.219 443 L C 0.984 177.960 176.870 0.177 0.000 1.134 443 L CA 0.009 54.923 54.840 0.123 0.000 0.807 443 L CB -0.238 41.914 42.059 0.155 0.000 0.927 443 L HN 0.108 nan 8.230 nan 0.000 0.447 444 L N -1.418 119.888 121.223 0.138 0.000 2.344 444 L HA 0.546 4.886 4.340 0.001 0.000 0.272 444 L C 0.026 177.086 176.870 0.317 0.000 1.035 444 L CA -0.175 54.792 54.840 0.210 0.000 0.807 444 L CB 1.919 43.978 42.059 -0.000 0.000 1.237 444 L HN -0.177 nan 8.230 nan 0.000 0.442 445 T N 1.053 115.858 114.554 0.419 0.000 2.830 445 T HA 0.449 4.800 4.350 0.001 0.000 0.322 445 T C -1.025 173.724 174.700 0.082 0.000 1.501 445 T CA -0.643 61.600 62.100 0.239 0.000 1.036 445 T CB 0.833 69.770 68.868 0.114 0.000 1.379 445 T HN 0.331 nan 8.240 nan 0.000 0.493 446 L N 2.562 123.642 121.223 -0.239 0.000 2.464 446 L HA 0.541 4.882 4.340 0.001 0.000 0.264 446 L C 1.777 178.504 176.870 -0.237 0.000 1.199 446 L CA -0.197 54.377 54.840 -0.443 0.000 0.818 446 L CB 0.478 42.224 42.059 -0.522 0.000 1.102 446 L HN 0.918 nan 8.230 nan 0.000 0.473 447 A N 2.030 124.695 122.820 -0.259 0.000 1.943 447 A HA 0.042 4.363 4.320 0.001 0.000 0.213 447 A C 0.650 178.158 177.584 -0.127 0.000 1.181 447 A CA 0.525 52.464 52.037 -0.164 0.000 0.653 447 A CB 0.018 18.900 19.000 -0.197 0.000 0.833 447 A HN 0.725 nan 8.150 nan 0.000 0.451 448 K N 0.228 120.540 120.400 -0.146 0.000 2.235 448 K HA 0.585 4.906 4.320 0.001 0.000 0.266 448 K C -0.050 176.475 176.600 -0.124 0.000 0.980 448 K CA -0.273 55.950 56.287 -0.106 0.000 0.849 448 K CB 1.616 34.073 32.500 -0.072 0.000 1.098 448 K HN 0.095 nan 8.250 nan 0.000 0.445 449 G N 1.975 110.707 108.800 -0.112 0.000 2.462 449 G HA2 0.394 4.355 3.960 0.001 0.000 0.319 449 G HA3 0.394 4.355 3.960 0.001 0.000 0.319 449 G C -1.277 173.566 174.900 -0.095 0.000 1.171 449 G CA -0.727 44.301 45.100 -0.120 0.000 0.920 449 G HN 0.571 nan 8.290 nan 0.000 0.499 450 K N 0.895 121.243 120.400 -0.087 0.000 2.535 450 K HA 0.410 4.731 4.320 0.001 0.000 0.250 450 K C -2.782 173.791 176.600 -0.045 0.000 0.948 450 K CA -1.706 54.544 56.287 -0.062 0.000 0.796 450 K CB 2.694 35.158 32.500 -0.061 0.000 1.216 450 K HN 0.149 nan 8.250 nan 0.000 0.432 451 P HA 0.135 nan 4.420 nan 0.000 0.264 451 P C -0.323 176.983 177.300 0.010 0.000 1.229 451 P CA 0.416 63.506 63.100 -0.017 0.000 0.780 451 P CB 0.281 31.972 31.700 -0.015 0.000 0.808 452 I N 0.850 121.440 120.570 0.034 0.000 5.182 452 I HA 0.001 4.172 4.170 0.001 0.000 0.270 452 I C 0.894 177.071 176.117 0.100 0.000 0.851 452 I CA 0.439 61.764 61.300 0.041 0.000 1.670 452 I CB -0.754 37.250 38.000 0.007 0.000 2.619 452 I HN 0.447 nan 8.210 nan 0.000 0.822 453 G N -0.144 108.712 108.800 0.094 0.000 2.820 453 G HA2 0.534 4.495 3.960 0.001 0.000 0.291 453 G HA3 0.534 4.495 3.960 0.001 0.000 0.291 453 G C 0.163 175.153 174.900 0.150 0.000 1.323 453 G CA 0.747 45.920 45.100 0.121 0.000 1.055 453 G HN 0.266 nan 8.290 nan 0.000 0.520 454 K N -1.602 118.907 120.400 0.181 0.000 11.238 454 K HA -0.370 3.951 4.320 0.001 0.000 0.527 454 K C 1.929 178.662 176.600 0.221 0.000 0.396 454 K CA 2.383 58.783 56.287 0.189 0.000 1.912 454 K CB -1.210 31.350 32.500 0.100 0.000 0.792 454 K HN 0.516 nan 8.250 nan 0.000 1.257 455 E N -0.319 119.990 120.200 0.182 0.000 2.051 455 E HA -0.064 4.286 4.350 0.001 0.000 0.192 455 E C 1.776 178.601 176.600 0.375 0.000 0.991 455 E CA 2.350 58.888 56.400 0.231 0.000 0.799 455 E CB -0.617 29.203 29.700 0.200 0.000 0.748 455 E HN 0.546 nan 8.360 nan 0.000 0.449 456 G N -0.871 108.116 108.800 0.312 0.000 2.394 456 G HA2 -0.294 3.667 3.960 0.001 0.000 0.214 456 G HA3 -0.294 3.667 3.960 0.001 0.000 0.214 456 G C 1.511 176.631 174.900 0.366 0.000 1.176 456 G CA 0.782 46.077 45.100 0.326 0.000 0.786 456 G HN 0.394 nan 8.290 nan 0.000 0.533 457 Y N 0.441 120.865 120.300 0.208 0.000 2.256 457 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 457 Y C 2.345 178.375 175.900 0.216 0.000 1.155 457 Y CA 1.294 59.510 58.100 0.193 0.000 1.203 457 Y CB -0.477 38.062 38.460 0.132 0.000 0.980 457 Y HN 0.318 nan 8.280 nan 0.000 0.530 458 Y N -0.883 119.427 120.300 0.017 0.000 2.089 458 Y HA -0.289 4.262 4.550 0.001 0.000 0.282 458 Y C 2.093 177.874 175.900 -0.197 0.000 1.139 458 Y CA 2.209 60.186 58.100 -0.205 0.000 1.123 458 Y CB -0.892 37.349 38.460 -0.365 0.000 0.980 458 Y HN 0.137 nan 8.280 nan 0.000 0.493 459 W N -0.146 121.154 121.300 0.000 0.000 2.699 459 W HA -0.086 4.575 4.660 0.001 0.000 0.249 459 W C 1.990 178.502 176.519 -0.011 0.000 1.280 459 W CA 0.700 58.012 57.345 -0.055 0.000 1.345 459 W CB -0.517 29.027 29.460 0.139 0.000 1.128 459 W HN 0.303 nan 8.180 nan 0.000 0.642 460 L N 1.439 122.789 121.223 0.212 0.000 2.056 460 L HA -0.135 4.206 4.340 0.001 0.000 0.207 460 L C 2.160 179.204 176.870 0.290 0.000 1.078 460 L CA 1.993 56.994 54.840 0.268 0.000 0.749 460 L CB -0.672 41.580 42.059 0.322 0.000 0.901 460 L HN -0.251 nan 8.230 nan 0.000 0.433 461 K N -0.712 119.746 120.400 0.097 0.000 2.155 461 K HA -0.054 4.267 4.320 0.001 0.000 0.203 461 K C 1.972 178.507 176.600 -0.109 0.000 1.052 461 K CA 0.991 57.303 56.287 0.042 0.000 0.948 461 K CB -0.090 32.372 32.500 -0.064 0.000 0.728 461 K HN 0.271 nan 8.250 nan 0.000 0.448 462 I N 1.065 121.567 120.570 -0.113 0.000 2.179 462 I HA -0.282 3.889 4.170 0.001 0.000 0.242 462 I C 2.537 178.674 176.117 0.034 0.000 1.088 462 I CA 1.613 62.920 61.300 0.012 0.000 1.357 462 I CB -1.370 36.701 38.000 0.118 0.000 1.051 462 I HN 0.344 nan 8.210 nan 0.000 0.409 463 H N 1.315 120.335 119.070 -0.083 0.000 2.353 463 H HA -0.125 4.432 4.556 0.001 0.000 0.300 463 H C 2.155 177.294 175.328 -0.315 0.000 1.090 463 H CA 1.864 57.815 56.048 -0.162 0.000 1.327 463 H CB -0.001 29.688 29.762 -0.122 0.000 1.383 463 H HN 0.296 nan 8.280 nan 0.000 0.508 464 G N 0.309 108.682 108.800 -0.711 0.000 2.446 464 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 464 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 464 G C 1.989 176.621 174.900 -0.446 0.000 1.168 464 G CA 1.314 45.545 45.100 -1.449 0.000 0.771 464 G HN 0.568 nan 8.290 nan 0.000 0.551 465 A N 1.203 123.869 122.820 -0.257 0.000 1.908 465 A HA -0.120 4.201 4.320 0.001 0.000 0.218 465 A C 2.290 179.780 177.584 -0.156 0.000 1.181 465 A CA 2.002 53.984 52.037 -0.091 0.000 0.627 465 A CB -0.468 18.515 19.000 -0.028 0.000 0.818 465 A HN 0.355 nan 8.150 nan 0.000 0.445 466 N N -0.130 118.472 118.700 -0.162 0.000 2.166 466 N HA -0.133 4.607 4.740 0.001 0.000 0.186 466 N C 1.640 177.034 175.510 -0.195 0.000 1.019 466 N CA 1.558 54.513 53.050 -0.159 0.000 0.856 466 N CB -0.903 37.480 38.487 -0.174 0.000 0.993 466 N HN 0.529 nan 8.380 nan 0.000 0.426 467 C N 0.841 119.998 119.300 -0.239 0.000 2.422 467 C HA 0.152 4.613 4.460 0.001 0.000 0.279 467 C C 1.616 176.535 174.990 -0.119 0.000 1.305 467 C CA -0.129 58.818 59.018 -0.119 0.000 1.757 467 C CB -1.224 26.530 27.740 0.022 0.000 1.962 467 C HN 0.402 nan 8.230 nan 0.000 0.499 468 A N 0.092 122.794 122.820 -0.197 0.000 2.246 468 A HA 0.531 4.852 4.320 0.001 0.000 0.291 468 A C 1.154 178.550 177.584 -0.314 0.000 1.103 468 A CA 0.381 52.178 52.037 -0.400 0.000 0.844 468 A CB -0.150 18.552 19.000 -0.496 0.000 1.136 468 A HN 0.485 nan 8.150 nan 0.000 0.500 469 G N -0.567 108.037 108.800 -0.326 0.000 3.325 469 G HA2 0.412 4.372 3.960 0.001 0.000 0.242 469 G HA3 0.412 4.372 3.960 0.001 0.000 0.242 469 G C -0.332 174.386 174.900 -0.304 0.000 1.120 469 G CA 0.189 45.136 45.100 -0.255 0.000 1.778 469 G HN 0.689 nan 8.290 nan 0.000 0.610 470 V N 1.254 120.962 119.914 -0.342 0.000 2.462 470 V HA 0.198 4.318 4.120 0.001 0.000 0.257 470 V C -0.386 175.589 176.094 -0.198 0.000 0.944 470 V CA -0.566 61.513 62.300 -0.368 0.000 0.903 470 V CB 0.907 32.305 31.823 -0.709 0.000 1.128 470 V HN 0.490 nan 8.190 nan 0.000 0.486 471 D N 0.569 120.897 120.400 -0.120 0.000 2.525 471 D HA 0.052 4.692 4.640 0.001 0.000 0.231 471 D C 0.957 177.241 176.300 -0.026 0.000 1.216 471 D CA -0.174 53.819 54.000 -0.011 0.000 0.813 471 D CB 0.424 41.250 40.800 0.042 0.000 1.108 471 D HN 0.404 nan 8.370 nan 0.000 0.524 472 K N 1.173 121.509 120.400 -0.107 0.000 2.576 472 K HA 0.340 4.661 4.320 0.001 0.000 0.209 472 K C -1.059 175.387 176.600 -0.256 0.000 1.049 472 K CA -0.168 56.021 56.287 -0.164 0.000 1.140 472 K CB 0.682 33.119 32.500 -0.106 0.000 0.871 472 K HN -0.078 nan 8.250 nan 0.000 0.479 473 V N 2.293 122.041 119.914 -0.276 0.000 2.709 473 V HA 0.342 4.463 4.120 0.001 0.000 0.308 473 V C -2.448 173.452 176.094 -0.324 0.000 1.062 473 V CA -2.361 59.780 62.300 -0.265 0.000 0.901 473 V CB 2.141 33.872 31.823 -0.153 0.000 1.003 473 V HN 0.236 nan 8.190 nan 0.000 0.425 474 P HA 0.078 nan 4.420 nan 0.000 0.265 474 P C 0.395 177.733 177.300 0.063 0.000 1.187 474 P CA 0.211 63.265 63.100 -0.077 0.000 0.766 474 P CB 0.302 32.046 31.700 0.073 0.000 0.820 475 F N 3.628 123.801 119.950 0.372 0.000 2.091 475 F HA -0.156 4.372 4.527 0.001 0.000 0.299 475 F C -0.346 175.537 175.800 0.137 0.000 1.103 475 F CA 2.189 60.327 58.000 0.230 0.000 1.228 475 F CB -2.866 36.278 39.000 0.241 0.000 0.984 475 F HN 0.430 nan 8.300 nan 0.000 0.477 476 P HA -0.193 nan 4.420 nan 0.000 0.219 476 P C 1.367 178.765 177.300 0.163 0.000 1.146 476 P CA 1.682 64.914 63.100 0.220 0.000 0.808 476 P CB -0.095 31.713 31.700 0.180 0.000 0.779 477 E N -0.588 119.699 120.200 0.145 0.000 2.230 477 E HA -0.076 4.274 4.350 0.001 0.000 0.192 477 E C 1.949 178.632 176.600 0.138 0.000 0.987 477 E CA 0.296 56.766 56.400 0.117 0.000 0.841 477 E CB 0.035 29.779 29.700 0.072 0.000 0.783 477 E HN 0.119 nan 8.360 nan 0.000 0.481 478 R N 0.382 120.962 120.500 0.134 0.000 2.075 478 R HA -0.075 4.266 4.340 0.001 0.000 0.232 478 R C 2.295 178.694 176.300 0.165 0.000 1.126 478 R CA 0.982 57.163 56.100 0.134 0.000 0.963 478 R CB -0.153 30.230 30.300 0.139 0.000 0.858 478 R HN 0.241 nan 8.270 nan 0.000 0.435 479 I N 1.353 121.992 120.570 0.116 0.000 2.226 479 I HA -0.236 3.935 4.170 0.001 0.000 0.245 479 I C 2.254 178.451 176.117 0.134 0.000 1.100 479 I CA 1.366 62.717 61.300 0.085 0.000 1.374 479 I CB -0.759 37.280 38.000 0.065 0.000 1.057 479 I HN 0.036 nan 8.210 nan 0.000 0.413 480 K N 1.079 121.567 120.400 0.147 0.000 2.147 480 K HA -0.202 4.119 4.320 0.001 0.000 0.205 480 K C 2.076 178.772 176.600 0.161 0.000 1.049 480 K CA 1.262 57.631 56.287 0.136 0.000 0.936 480 K CB -0.646 31.928 32.500 0.123 0.000 0.722 480 K HN 0.180 nan 8.250 nan 0.000 0.446 481 F N 0.383 120.373 119.950 0.065 0.000 2.146 481 F HA -0.116 4.412 4.527 0.001 0.000 0.298 481 F C 1.530 177.393 175.800 0.105 0.000 1.096 481 F CA 1.134 59.182 58.000 0.079 0.000 1.275 481 F CB 0.005 39.047 39.000 0.070 0.000 1.008 481 F HN -0.069 nan 8.300 nan 0.000 0.480 482 I N 0.725 121.405 120.570 0.183 0.000 2.163 482 I HA -0.242 3.929 4.170 0.001 0.000 0.240 482 I C 2.228 178.365 176.117 0.032 0.000 1.081 482 I CA 1.515 62.870 61.300 0.091 0.000 1.353 482 I CB -1.602 36.476 38.000 0.130 0.000 1.054 482 I HN 0.258 nan 8.210 nan 0.000 0.407 483 E N 0.628 120.883 120.200 0.092 0.000 2.204 483 E HA -0.223 4.127 4.350 0.001 0.000 0.195 483 E C 2.000 178.631 176.600 0.051 0.000 0.990 483 E CA 0.990 57.458 56.400 0.114 0.000 0.821 483 E CB -0.075 29.689 29.700 0.108 0.000 0.750 483 E HN 0.560 nan 8.360 nan 0.000 0.477 484 E N 0.519 120.707 120.200 -0.020 0.000 2.152 484 E HA -0.065 4.286 4.350 0.001 0.000 0.192 484 E C 0.743 177.264 176.600 -0.132 0.000 0.983 484 E CA 0.490 56.847 56.400 -0.072 0.000 0.818 484 E CB 0.158 29.800 29.700 -0.095 0.000 0.758 484 E HN 0.115 nan 8.360 nan 0.000 0.467 485 N N 0.196 118.772 118.700 -0.206 0.000 2.376 485 N HA -0.032 4.709 4.740 0.001 0.000 0.249 485 N C 0.715 176.136 175.510 -0.149 0.000 1.140 485 N CA 0.131 53.017 53.050 -0.272 0.000 0.870 485 N CB 0.055 38.292 38.487 -0.417 0.000 1.124 485 N HN 0.230 nan 8.380 nan 0.000 0.505 486 H N 0.738 119.739 119.070 -0.115 0.000 2.421 486 H HA -0.043 4.514 4.556 0.001 0.000 0.298 486 H C 0.432 175.734 175.328 -0.042 0.000 1.087 486 H CA 1.482 57.513 56.048 -0.029 0.000 1.330 486 H CB 0.762 30.550 29.762 0.044 0.000 1.388 486 H HN 0.190 nan 8.280 nan 0.000 0.526 487 E N -0.016 120.169 120.200 -0.026 0.000 2.170 487 E HA -0.062 4.289 4.350 0.001 0.000 0.191 487 E C 1.996 178.490 176.600 -0.177 0.000 0.981 487 E CA 0.428 56.783 56.400 -0.076 0.000 0.830 487 E CB 0.092 29.763 29.700 -0.048 0.000 0.775 487 E HN 0.426 nan 8.360 nan 0.000 0.470 488 N N 0.144 118.656 118.700 -0.313 0.000 2.188 488 N HA -0.025 4.716 4.740 0.001 0.000 0.184 488 N C 0.590 175.987 175.510 -0.189 0.000 1.018 488 N CA 0.715 53.458 53.050 -0.511 0.000 0.858 488 N CB 0.050 37.772 38.487 -1.276 0.000 0.989 488 N HN 0.170 nan 8.380 nan 0.000 0.426 489 I N 0.019 120.515 120.570 -0.124 0.000 3.244 489 I HA -0.025 4.146 4.170 0.001 0.000 0.314 489 I C 1.251 177.291 176.117 -0.129 0.000 1.043 489 I CA -0.528 60.735 61.300 -0.062 0.000 1.099 489 I CB 0.437 38.321 38.000 -0.193 0.000 1.449 489 I HN -0.097 nan 8.210 nan 0.000 0.625 490 M N 0.096 119.632 119.600 -0.107 0.000 2.814 490 M HA -0.334 4.147 4.480 0.001 0.000 0.150 490 M C 1.517 177.815 176.300 -0.003 0.000 0.693 490 M CA 2.164 57.422 55.300 -0.070 0.000 0.575 490 M CB -2.457 30.046 32.600 -0.161 0.000 2.110 490 M HN 0.811 nan 8.290 nan 0.000 0.260 491 A N -0.938 121.879 122.820 -0.006 0.000 1.968 491 A HA -0.028 4.293 4.320 0.001 0.000 0.217 491 A C 2.145 179.782 177.584 0.088 0.000 1.169 491 A CA 1.772 53.833 52.037 0.040 0.000 0.638 491 A CB -0.733 18.278 19.000 0.019 0.000 0.812 491 A HN 0.729 nan 8.150 nan 0.000 0.446 492 C N -1.211 118.148 119.300 0.099 0.000 2.468 492 C HA 0.268 4.729 4.460 0.001 0.000 0.277 492 C C 3.057 178.004 174.990 -0.071 0.000 1.400 492 C CA 0.528 59.635 59.018 0.150 0.000 1.770 492 C CB -0.954 26.979 27.740 0.322 0.000 1.905 492 C HN 0.693 nan 8.230 nan 0.000 0.519 493 A N 0.565 123.319 122.820 -0.110 0.000 2.030 493 A HA -0.043 4.278 4.320 0.001 0.000 0.215 493 A C 2.024 179.723 177.584 0.192 0.000 1.164 493 A CA 1.480 53.468 52.037 -0.081 0.000 0.697 493 A CB -0.280 18.717 19.000 -0.003 0.000 0.827 493 A HN 0.505 nan 8.150 nan 0.000 0.457 494 K N 0.561 121.038 120.400 0.129 0.000 1.973 494 K HA 0.020 4.340 4.320 0.001 0.000 0.212 494 K C -0.014 176.680 176.600 0.157 0.000 1.047 494 K CA 2.027 58.394 56.287 0.132 0.000 0.937 494 K CB -0.212 32.347 32.500 0.097 0.000 0.721 494 K HN 0.207 nan 8.250 nan 0.000 0.440 495 S N 1.263 117.062 115.700 0.166 0.000 2.279 495 S HA 0.258 4.729 4.470 0.001 0.000 0.176 495 S C -2.410 172.342 174.600 0.253 0.000 1.554 495 S CA -1.045 57.271 58.200 0.193 0.000 1.242 495 S CB 1.737 65.031 63.200 0.156 0.000 1.163 495 S HN 0.251 nan 8.310 nan 0.000 0.449 496 P HA -0.024 nan 4.420 nan 0.000 0.221 496 P C 1.120 178.738 177.300 0.529 0.000 1.150 496 P CA 0.654 64.008 63.100 0.422 0.000 0.800 496 P CB 0.132 32.003 31.700 0.285 0.000 0.787 497 L N -0.488 120.982 121.223 0.413 0.000 2.240 497 L HA -0.017 4.324 4.340 0.001 0.000 0.211 497 L C 2.727 179.845 176.870 0.413 0.000 1.106 497 L CA 1.165 56.283 54.840 0.463 0.000 0.793 497 L CB -0.659 41.647 42.059 0.412 0.000 0.927 497 L HN 0.012 nan 8.230 nan 0.000 0.446 498 E N 0.053 120.430 120.200 0.294 0.000 2.166 498 E HA -0.021 4.330 4.350 0.001 0.000 0.192 498 E C 0.040 176.757 176.600 0.195 0.000 0.967 498 E CA 0.072 56.595 56.400 0.204 0.000 0.840 498 E CB 0.527 30.318 29.700 0.151 0.000 0.795 498 E HN 0.343 nan 8.360 nan 0.000 0.470 499 N N 1.183 120.029 118.700 0.244 0.000 2.462 499 N HA 0.064 4.805 4.740 0.001 0.000 0.242 499 N C -0.752 174.898 175.510 0.234 0.000 1.010 499 N CA 0.087 53.278 53.050 0.235 0.000 0.939 499 N CB 1.599 40.237 38.487 0.252 0.000 1.127 499 N HN 0.012 nan 8.380 nan 0.000 0.509 500 T N -2.348 112.241 114.554 0.058 0.000 3.258 500 T HA 0.078 4.428 4.350 0.001 0.000 0.259 500 T C 0.964 175.497 174.700 -0.277 0.000 0.963 500 T CA -0.705 61.227 62.100 -0.280 0.000 0.919 500 T CB -0.468 68.291 68.868 -0.182 0.000 1.110 500 T HN 0.542 nan 8.240 nan 0.000 0.550 501 W N 1.848 123.015 121.300 -0.221 0.000 2.453 501 W HA 0.155 4.816 4.660 0.001 0.000 0.289 501 W C 1.841 178.294 176.519 -0.110 0.000 1.215 501 W CA 0.596 57.876 57.345 -0.108 0.000 1.297 501 W CB -0.167 29.312 29.460 0.030 0.000 1.113 501 W HN 0.575 nan 8.180 nan 0.000 0.551 502 W N 0.147 121.453 121.300 0.009 0.000 2.392 502 W HA -0.010 4.651 4.660 0.001 0.000 0.279 502 W C 1.737 178.100 176.519 -0.259 0.000 1.225 502 W CA 1.349 58.622 57.345 -0.120 0.000 1.233 502 W CB -1.656 27.929 29.460 0.208 0.000 1.122 502 W HN 0.044 nan 8.180 nan 0.000 0.561 503 A N 1.823 124.088 122.820 -0.925 0.000 1.972 503 A HA -0.209 4.112 4.320 0.001 0.000 0.219 503 A C 1.885 179.191 177.584 -0.464 0.000 1.169 503 A CA 1.750 53.283 52.037 -0.841 0.000 0.635 503 A CB -0.816 17.581 19.000 -1.006 0.000 0.810 503 A HN 0.465 nan 8.150 nan 0.000 0.446 504 E N -0.017 119.905 120.200 -0.463 0.000 2.482 504 E HA -0.045 4.306 4.350 0.001 0.000 0.196 504 E C 0.155 176.517 176.600 -0.397 0.000 1.047 504 E CA 0.063 56.240 56.400 -0.372 0.000 0.869 504 E CB 0.061 29.553 29.700 -0.346 0.000 0.836 504 E HN 0.583 nan 8.360 nan 0.000 0.520 505 Q N 0.651 120.159 119.800 -0.486 0.000 2.317 505 Q HA 0.031 4.372 4.340 0.001 0.000 0.229 505 Q C 0.418 176.247 176.000 -0.284 0.000 0.984 505 Q CA -0.003 55.501 55.803 -0.498 0.000 0.911 505 Q CB 0.684 28.938 28.738 -0.807 0.000 1.217 505 Q HN -0.029 nan 8.270 nan 0.000 0.501 506 D N 0.305 120.558 120.400 -0.246 0.000 2.116 506 D HA -0.097 4.544 4.640 0.001 0.000 0.193 506 D C -0.056 176.199 176.300 -0.075 0.000 0.998 506 D CA 1.423 55.338 54.000 -0.143 0.000 0.836 506 D CB 0.185 40.905 40.800 -0.135 0.000 0.951 506 D HN 0.199 nan 8.370 nan 0.000 0.449 507 S N 0.382 116.050 115.700 -0.054 0.000 2.328 507 S HA 0.226 4.697 4.470 0.001 0.000 0.204 507 S C -1.905 172.769 174.600 0.123 0.000 1.475 507 S CA -1.231 56.998 58.200 0.049 0.000 1.148 507 S CB 1.690 64.923 63.200 0.056 0.000 1.077 507 S HN -0.046 nan 8.310 nan 0.000 0.479 508 P HA -0.118 nan 4.420 nan 0.000 0.212 508 P C 0.990 178.456 177.300 0.277 0.000 1.178 508 P CA 1.399 64.597 63.100 0.163 0.000 0.915 508 P CB 0.028 31.693 31.700 -0.059 0.000 0.788 509 F N -1.357 118.779 119.950 0.310 0.000 2.186 509 F HA -0.139 4.388 4.527 0.001 0.000 0.299 509 F C 2.572 178.450 175.800 0.129 0.000 1.090 509 F CA 0.911 59.011 58.000 0.167 0.000 1.307 509 F CB -1.520 37.567 39.000 0.144 0.000 1.019 509 F HN -0.023 nan 8.300 nan 0.000 0.489 510 C N -0.602 118.897 119.300 0.331 0.000 2.440 510 C HA -0.186 4.275 4.460 0.001 0.000 0.278 510 C C 2.711 177.863 174.990 0.270 0.000 1.295 510 C CA 0.565 59.742 59.018 0.265 0.000 1.738 510 C CB -1.309 26.551 27.740 0.199 0.000 1.987 510 C HN 0.512 nan 8.230 nan 0.000 0.492 511 F N 0.820 120.834 119.950 0.107 0.000 2.206 511 F HA -0.032 4.496 4.527 0.001 0.000 0.298 511 F C 1.981 177.860 175.800 0.132 0.000 1.090 511 F CA 1.128 59.200 58.000 0.120 0.000 1.323 511 F CB -0.382 38.650 39.000 0.053 0.000 1.028 511 F HN 0.105 nan 8.300 nan 0.000 0.492 512 L N 0.700 121.942 121.223 0.032 0.000 2.083 512 L HA -0.030 4.311 4.340 0.001 0.000 0.209 512 L C 2.423 179.129 176.870 -0.273 0.000 1.083 512 L CA 2.008 56.590 54.840 -0.430 0.000 0.752 512 L CB -1.257 40.253 42.059 -0.916 0.000 0.899 512 L HN 0.126 nan 8.230 nan 0.000 0.433 513 A N -0.976 121.875 122.820 0.052 0.000 1.972 513 A HA -0.258 4.063 4.320 0.001 0.000 0.219 513 A C 2.256 179.949 177.584 0.181 0.000 1.169 513 A CA 1.776 53.938 52.037 0.208 0.000 0.635 513 A CB -1.123 18.020 19.000 0.238 0.000 0.810 513 A HN 0.616 nan 8.150 nan 0.000 0.446 514 F N 0.032 119.968 119.950 -0.023 0.000 2.163 514 F HA -0.173 4.355 4.527 0.001 0.000 0.297 514 F C 2.314 178.052 175.800 -0.103 0.000 1.094 514 F CA 1.633 59.611 58.000 -0.037 0.000 1.290 514 F CB -0.523 38.413 39.000 -0.107 0.000 1.017 514 F HN 0.254 nan 8.300 nan 0.000 0.483 515 C N 0.674 119.640 119.300 -0.556 0.000 2.432 515 C HA -0.173 4.287 4.460 0.001 0.000 0.277 515 C C 2.603 177.375 174.990 -0.364 0.000 1.249 515 C CA 0.913 59.558 59.018 -0.621 0.000 1.725 515 C CB -1.688 25.720 27.740 -0.554 0.000 2.028 515 C HN 0.537 nan 8.230 nan 0.000 0.477 516 F N 1.076 120.927 119.950 -0.164 0.000 2.171 516 F HA -0.103 4.425 4.527 0.001 0.000 0.300 516 F C 2.390 178.159 175.800 -0.052 0.000 1.090 516 F CA 1.823 59.777 58.000 -0.077 0.000 1.293 516 F CB -0.742 38.234 39.000 -0.041 0.000 1.013 516 F HN 0.204 nan 8.300 nan 0.000 0.486 517 E N -1.392 118.876 120.200 0.114 0.000 2.230 517 E HA -0.154 4.196 4.350 0.001 0.000 0.192 517 E C 1.954 178.540 176.600 -0.023 0.000 0.987 517 E CA 0.543 57.018 56.400 0.126 0.000 0.841 517 E CB -0.415 29.390 29.700 0.175 0.000 0.783 517 E HN 0.456 nan 8.360 nan 0.000 0.481 518 Y N -0.048 120.038 120.300 -0.357 0.000 2.263 518 Y HA -0.026 4.525 4.550 0.001 0.000 0.292 518 Y C 1.977 177.730 175.900 -0.245 0.000 1.130 518 Y CA 1.484 59.361 58.100 -0.371 0.000 1.179 518 Y CB -0.303 37.697 38.460 -0.767 0.000 0.998 518 Y HN 0.099 nan 8.280 nan 0.000 0.532 519 A N -0.183 122.568 122.820 -0.115 0.000 1.969 519 A HA -0.049 4.272 4.320 0.001 0.000 0.218 519 A C 2.413 179.905 177.584 -0.153 0.000 1.169 519 A CA 1.454 53.427 52.037 -0.107 0.000 0.635 519 A CB -1.548 17.500 19.000 0.080 0.000 0.810 519 A HN 0.564 nan 8.150 nan 0.000 0.445 520 G N -0.481 108.135 108.800 -0.308 0.000 2.408 520 G HA2 -0.084 3.876 3.960 0.001 0.000 0.217 520 G HA3 -0.084 3.876 3.960 0.001 0.000 0.217 520 G C 1.449 175.766 174.900 -0.971 0.000 1.150 520 G CA 1.228 45.881 45.100 -0.747 0.000 0.776 520 G HN 0.320 nan 8.290 nan 0.000 0.542 521 V N 0.617 120.053 119.914 -0.797 0.000 2.358 521 V HA -0.154 3.967 4.120 0.001 0.000 0.246 521 V C 2.873 178.719 176.094 -0.414 0.000 1.047 521 V CA 1.633 63.638 62.300 -0.492 0.000 1.035 521 V CB -0.362 31.214 31.823 -0.411 0.000 0.658 521 V HN 0.299 nan 8.190 nan 0.000 0.452 522 Q N -0.538 118.974 119.800 -0.479 0.000 2.291 522 Q HA -0.154 4.187 4.340 0.001 0.000 0.205 522 Q C 1.967 177.699 176.000 -0.446 0.000 0.970 522 Q CA 1.589 57.120 55.803 -0.454 0.000 0.876 522 Q CB -0.280 28.166 28.738 -0.486 0.000 0.935 522 Q HN 0.810 nan 8.270 nan 0.000 0.455 523 H N -2.021 116.914 119.070 -0.224 0.000 2.476 523 H HA 0.084 4.641 4.556 0.001 0.000 0.292 523 H C 1.323 176.449 175.328 -0.337 0.000 1.019 523 H CA 0.743 56.626 56.048 -0.275 0.000 1.330 523 H CB 0.331 29.889 29.762 -0.340 0.000 1.451 523 H HN 0.325 nan 8.280 nan 0.000 0.535 524 H N -0.963 118.092 119.070 -0.024 0.000 2.476 524 H HA 0.352 4.909 4.556 0.001 0.000 0.292 524 H C 1.143 176.468 175.328 -0.004 0.000 1.019 524 H CA 0.608 56.673 56.048 0.028 0.000 1.330 524 H CB 0.922 30.772 29.762 0.147 0.000 1.451 524 H HN 0.466 nan 8.280 nan 0.000 0.535 525 G N -0.351 108.476 108.800 0.046 0.000 2.318 525 G HA2 -0.169 3.791 3.960 0.001 0.000 0.367 525 G HA3 -0.169 3.791 3.960 0.001 0.000 0.367 525 G C -0.244 174.631 174.900 -0.042 0.000 1.260 525 G CA -0.364 44.718 45.100 -0.031 0.000 1.055 525 G HN 0.137 nan 8.290 nan 0.000 0.484 526 L N 1.219 122.405 121.223 -0.061 0.000 2.627 526 L HA 0.212 4.553 4.340 0.001 0.000 0.233 526 L C 2.370 179.252 176.870 0.019 0.000 1.144 526 L CA 1.253 56.060 54.840 -0.056 0.000 0.892 526 L CB 0.100 42.118 42.059 -0.068 0.000 1.039 526 L HN 0.639 nan 8.230 nan 0.000 0.442 527 S N -2.374 113.355 115.700 0.047 0.000 2.539 527 S HA -0.006 4.465 4.470 0.001 0.000 0.221 527 S C 0.498 175.129 174.600 0.052 0.000 0.987 527 S CA -0.467 57.758 58.200 0.042 0.000 0.929 527 S CB -0.336 62.883 63.200 0.032 0.000 0.832 527 S HN 0.311 nan 8.310 nan 0.000 0.492 528 Y N 4.215 124.495 120.300 -0.034 0.000 2.745 528 Y HA 0.239 4.789 4.550 0.001 0.000 0.335 528 Y C 0.203 176.057 175.900 -0.077 0.000 1.212 528 Y CA -0.785 57.271 58.100 -0.074 0.000 1.535 528 Y CB -0.304 38.128 38.460 -0.047 0.000 1.220 528 Y HN 0.148 nan 8.280 nan 0.000 0.531 529 N N 5.822 124.156 118.700 -0.609 0.000 2.434 529 N HA 0.039 4.780 4.740 0.001 0.000 0.268 529 N C -1.349 173.706 175.510 -0.759 0.000 1.256 529 N CA 0.171 52.903 53.050 -0.529 0.000 0.914 529 N CB 0.065 38.334 38.487 -0.364 0.000 1.088 529 N HN 0.700 nan 8.380 nan 0.000 0.478 530 C N 3.165 122.226 119.300 -0.398 0.000 2.498 530 C HA 0.674 5.135 4.460 0.001 0.000 0.316 530 C C 0.743 175.649 174.990 -0.140 0.000 1.209 530 C CA -0.399 58.475 59.018 -0.240 0.000 1.518 530 C CB 0.373 28.099 27.740 -0.024 0.000 2.147 530 C HN 0.815 nan 8.230 nan 0.000 0.483 531 S N 4.100 119.731 115.700 -0.116 0.000 2.952 531 S HA 0.225 4.695 4.470 0.001 0.000 0.251 531 S C -0.386 174.141 174.600 -0.121 0.000 1.021 531 S CA -0.304 57.819 58.200 -0.129 0.000 1.067 531 S CB -0.177 62.935 63.200 -0.147 0.000 1.002 531 S HN 0.784 nan 8.310 nan 0.000 0.574 532 L N 4.136 125.315 121.223 -0.072 0.000 2.455 532 L HA 0.428 4.769 4.340 0.001 0.000 0.272 532 L C -2.544 174.225 176.870 -0.169 0.000 1.174 532 L CA -1.469 53.325 54.840 -0.077 0.000 0.869 532 L CB 0.201 42.248 42.059 -0.020 0.000 1.130 532 L HN 0.029 nan 8.230 nan 0.000 0.474 533 P HA 0.147 nan 4.420 nan 0.000 0.282 533 P C -1.188 175.902 177.300 -0.350 0.000 1.274 533 P CA -0.058 62.914 63.100 -0.213 0.000 0.770 533 P CB 0.476 32.114 31.700 -0.103 0.000 0.867 534 L N 3.129 124.126 121.223 -0.376 0.000 2.255 534 L HA 0.505 4.846 4.340 0.001 0.000 0.289 534 L C 0.870 177.422 176.870 -0.530 0.000 1.046 534 L CA -0.857 53.666 54.840 -0.527 0.000 0.816 534 L CB 0.961 42.760 42.059 -0.434 0.000 1.197 534 L HN 0.329 nan 8.230 nan 0.000 0.427 535 A N 4.205 126.860 122.820 -0.274 0.000 2.362 535 A HA 0.617 4.938 4.320 0.001 0.000 0.276 535 A C -0.747 176.569 177.584 -0.447 0.000 1.153 535 A CA -0.149 51.748 52.037 -0.233 0.000 0.813 535 A CB -0.131 18.854 19.000 -0.025 0.000 1.081 535 A HN 0.510 nan 8.150 nan 0.000 0.507 536 F N 1.866 121.848 119.950 0.054 0.000 2.325 536 F HA 0.320 4.848 4.527 0.001 0.000 0.369 536 F C 0.169 176.095 175.800 0.210 0.000 1.095 536 F CA -0.875 57.116 58.000 -0.014 0.000 1.082 536 F CB 1.423 40.568 39.000 0.242 0.000 1.289 536 F HN 0.623 nan 8.300 nan 0.000 0.462 537 D N 2.034 122.586 120.400 0.253 0.000 2.198 537 D HA 0.442 5.083 4.640 0.001 0.000 0.245 537 D C 0.425 177.045 176.300 0.532 0.000 1.079 537 D CA -0.223 53.984 54.000 0.344 0.000 0.854 537 D CB 1.439 42.358 40.800 0.199 0.000 1.148 537 D HN 0.633 nan 8.370 nan 0.000 0.456 538 G N 2.251 111.324 108.800 0.455 0.000 2.432 538 G HA2 0.136 4.096 3.960 0.001 0.000 0.239 538 G HA3 0.136 4.096 3.960 0.001 0.000 0.239 538 G C 0.986 176.082 174.900 0.326 0.000 1.291 538 G CA -0.329 45.001 45.100 0.384 0.000 0.863 538 G HN 0.526 nan 8.290 nan 0.000 0.560 539 S N 0.285 116.143 115.700 0.262 0.000 2.354 539 S HA -0.177 4.294 4.470 0.001 0.000 0.219 539 S C 1.327 176.064 174.600 0.229 0.000 1.035 539 S CA 1.344 59.677 58.200 0.221 0.000 1.037 539 S CB -0.171 63.089 63.200 0.100 0.000 0.956 539 S HN 0.767 nan 8.310 nan 0.000 0.428 540 C N 1.602 120.989 119.300 0.145 0.000 3.498 540 C HA 0.602 5.063 4.460 0.001 0.000 0.218 540 C C 1.780 176.856 174.990 0.143 0.000 1.284 540 C CA -0.574 58.536 59.018 0.155 0.000 1.343 540 C CB -1.153 26.581 27.740 -0.010 0.000 1.825 540 C HN 0.604 nan 8.230 nan 0.000 0.518 541 S N 2.783 118.609 115.700 0.211 0.000 2.426 541 S HA -0.223 4.248 4.470 0.001 0.000 0.259 541 S C 2.054 176.799 174.600 0.242 0.000 1.096 541 S CA 3.096 61.452 58.200 0.259 0.000 1.219 541 S CB -0.684 62.688 63.200 0.286 0.000 1.124 541 S HN 1.155 nan 8.310 nan 0.000 0.436 542 G N 1.143 110.031 108.800 0.146 0.000 2.553 542 G HA2 -0.210 3.750 3.960 0.001 0.000 0.218 542 G HA3 -0.210 3.750 3.960 0.001 0.000 0.218 542 G C 1.452 176.367 174.900 0.026 0.000 1.195 542 G CA 1.278 46.355 45.100 -0.039 0.000 0.779 542 G HN 0.647 nan 8.290 nan 0.000 0.577 543 I N 0.419 121.018 120.570 0.049 0.000 2.676 543 I HA -0.118 4.053 4.170 0.001 0.000 0.259 543 I C 2.920 179.058 176.117 0.034 0.000 1.194 543 I CA 0.632 61.981 61.300 0.081 0.000 1.473 543 I CB -0.211 37.783 38.000 -0.009 0.000 1.096 543 I HN 0.279 nan 8.210 nan 0.000 0.443 544 Q N 0.033 119.836 119.800 0.005 0.000 2.046 544 Q HA -0.182 4.158 4.340 0.001 0.000 0.200 544 Q C 2.183 178.059 176.000 -0.207 0.000 0.975 544 Q CA 1.275 57.019 55.803 -0.099 0.000 0.836 544 Q CB -0.149 28.524 28.738 -0.108 0.000 0.896 544 Q HN 0.634 nan 8.270 nan 0.000 0.428 545 H N -0.751 118.221 119.070 -0.163 0.000 2.357 545 H HA -0.088 4.469 4.556 0.001 0.000 0.301 545 H C 1.996 177.155 175.328 -0.282 0.000 1.082 545 H CA 1.071 56.966 56.048 -0.255 0.000 1.342 545 H CB -0.072 29.573 29.762 -0.195 0.000 1.389 545 H HN 0.205 nan 8.280 nan 0.000 0.511 546 F N 1.417 121.353 119.950 -0.023 0.000 2.161 546 F HA -0.185 4.343 4.527 0.001 0.000 0.300 546 F C 2.815 178.525 175.800 -0.150 0.000 1.089 546 F CA 0.962 58.920 58.000 -0.070 0.000 1.282 546 F CB -0.505 38.457 39.000 -0.062 0.000 1.010 546 F HN 0.004 nan 8.300 nan 0.000 0.485 547 S N -0.326 115.381 115.700 0.013 0.000 2.383 547 S HA -0.129 4.342 4.470 0.001 0.000 0.227 547 S C 2.333 176.816 174.600 -0.195 0.000 1.026 547 S CA 0.981 59.127 58.200 -0.090 0.000 0.981 547 S CB -0.613 62.525 63.200 -0.103 0.000 0.818 547 S HN 0.362 nan 8.310 nan 0.000 0.472 548 A N 2.441 125.046 122.820 -0.358 0.000 1.898 548 A HA -0.002 4.319 4.320 0.001 0.000 0.214 548 A C 2.211 179.414 177.584 -0.636 0.000 1.183 548 A CA 1.437 53.124 52.037 -0.583 0.000 0.622 548 A CB -0.689 17.737 19.000 -0.957 0.000 0.824 548 A HN 0.648 nan 8.150 nan 0.000 0.444 549 M N -1.513 117.714 119.600 -0.621 0.000 2.374 549 M HA 0.131 4.611 4.480 0.001 0.000 0.264 549 M C 1.045 177.302 176.300 -0.072 0.000 1.067 549 M CA 1.628 56.791 55.300 -0.229 0.000 1.103 549 M CB -0.336 32.292 32.600 0.047 0.000 1.402 549 M HN 0.204 nan 8.290 nan 0.000 0.444 550 L N -0.085 121.083 121.223 -0.090 0.000 2.766 550 L HA 0.332 4.673 4.340 0.001 0.000 0.242 550 L C 0.320 177.136 176.870 -0.090 0.000 1.136 550 L CA -0.315 54.481 54.840 -0.074 0.000 0.933 550 L CB 0.061 42.085 42.059 -0.059 0.000 1.241 550 L HN 0.352 nan 8.230 nan 0.000 0.522 551 R N 0.671 121.102 120.500 -0.114 0.000 3.516 551 R HA -0.206 4.135 4.340 0.001 0.000 0.271 551 R C -0.127 176.118 176.300 -0.091 0.000 1.098 551 R CA 0.416 56.454 56.100 -0.104 0.000 0.732 551 R CB -1.712 28.542 30.300 -0.077 0.000 1.152 551 R HN 0.247 nan 8.270 nan 0.000 0.455 552 D N 0.799 121.142 120.400 -0.096 0.000 2.417 552 D HA -0.011 4.630 4.640 0.001 0.000 0.250 552 D C 1.437 177.687 176.300 -0.083 0.000 1.166 552 D CA 0.327 54.275 54.000 -0.086 0.000 0.881 552 D CB 0.803 41.552 40.800 -0.085 0.000 1.164 552 D HN 0.367 nan 8.370 nan 0.000 0.467 553 E N 2.168 122.323 120.200 -0.074 0.000 2.038 553 E HA -0.161 4.190 4.350 0.001 0.000 0.195 553 E C 0.773 177.332 176.600 -0.068 0.000 1.000 553 E CA 0.953 57.312 56.400 -0.068 0.000 0.803 553 E CB 0.218 29.883 29.700 -0.058 0.000 0.750 553 E HN 0.310 nan 8.360 nan 0.000 0.448 554 V N -1.925 117.947 119.914 -0.070 0.000 6.245 554 V HA 0.120 4.240 4.120 0.001 0.000 0.092 554 V C 0.969 177.016 176.094 -0.079 0.000 1.042 554 V CA 0.647 62.903 62.300 -0.073 0.000 0.568 554 V CB -0.100 31.677 31.823 -0.077 0.000 0.728 554 V HN 0.627 nan 8.190 nan 0.000 0.725 555 G N -0.206 108.542 108.800 -0.087 0.000 3.298 555 G HA2 0.085 4.046 3.960 0.001 0.000 0.260 555 G HA3 0.085 4.046 3.960 0.001 0.000 0.260 555 G C 1.631 176.479 174.900 -0.086 0.000 1.681 555 G CA 1.081 46.129 45.100 -0.087 0.000 1.094 555 G HN 2.094 nan 8.290 nan 0.000 0.575 556 G N 0.407 109.157 108.800 -0.084 0.000 3.465 556 G HA2 -0.047 3.914 3.960 0.001 0.000 0.274 556 G HA3 -0.047 3.914 3.960 0.001 0.000 0.274 556 G C 1.215 176.065 174.900 -0.084 0.000 0.930 556 G CA 4.561 49.611 45.100 -0.083 0.000 0.808 556 G HN 2.404 nan 8.290 nan 0.000 1.233 557 R N -3.450 117.008 120.500 -0.071 0.000 1.243 557 R HA 0.009 4.350 4.340 0.001 0.000 0.061 557 R C 2.026 178.288 176.300 -0.064 0.000 0.925 557 R CA 2.244 58.308 56.100 -0.059 0.000 2.156 557 R CB -1.389 28.874 30.300 -0.062 0.000 0.434 557 R HN 1.438 nan 8.270 nan 0.000 0.702 558 A N 0.870 123.640 122.820 -0.084 0.000 2.016 558 A HA 0.222 4.543 4.320 0.001 0.000 0.217 558 A C 1.359 178.869 177.584 -0.123 0.000 1.162 558 A CA 1.381 53.355 52.037 -0.104 0.000 0.662 558 A CB -0.017 18.912 19.000 -0.118 0.000 0.812 558 A HN 0.765 nan 8.150 nan 0.000 0.450 559 V N -3.950 115.900 119.914 -0.107 0.000 3.039 559 V HA 0.284 4.405 4.120 0.001 0.000 0.369 559 V C 0.134 176.194 176.094 -0.057 0.000 1.344 559 V CA -0.138 62.102 62.300 -0.098 0.000 1.270 559 V CB -1.208 30.558 31.823 -0.094 0.000 1.284 559 V HN 0.478 nan 8.190 nan 0.000 0.518 560 N N 0.275 118.949 118.700 -0.043 0.000 2.741 560 N HA -0.223 4.518 4.740 0.001 0.000 0.251 560 N C 0.757 176.249 175.510 -0.030 0.000 1.112 560 N CA 1.373 54.420 53.050 -0.004 0.000 0.750 560 N CB -1.281 37.230 38.487 0.041 0.000 1.119 560 N HN 0.597 nan 8.380 nan 0.000 0.561 561 L N -0.260 120.928 121.223 -0.059 0.000 2.291 561 L HA 0.060 4.401 4.340 0.001 0.000 0.214 561 L C 1.110 177.937 176.870 -0.071 0.000 1.120 561 L CA 0.869 55.659 54.840 -0.083 0.000 0.799 561 L CB 0.030 42.024 42.059 -0.109 0.000 0.925 561 L HN 0.132 nan 8.230 nan 0.000 0.446 562 L N 0.718 121.911 121.223 -0.050 0.000 2.334 562 L HA 0.346 4.687 4.340 0.001 0.000 0.275 562 L C -2.067 174.791 176.870 -0.020 0.000 1.036 562 L CA -2.067 52.749 54.840 -0.039 0.000 0.807 562 L CB 1.295 43.333 42.059 -0.036 0.000 1.231 562 L HN -0.220 nan 8.230 nan 0.000 0.438 563 P HA 0.074 nan 4.420 nan 0.000 0.266 563 P C -1.014 176.299 177.300 0.021 0.000 1.215 563 P CA 0.102 63.193 63.100 -0.014 0.000 0.763 563 P CB 0.857 32.547 31.700 -0.017 0.000 0.806 564 S N 1.841 117.581 115.700 0.067 0.000 2.564 564 S HA 0.182 4.653 4.470 0.001 0.000 0.274 564 S C 0.927 175.645 174.600 0.196 0.000 1.124 564 S CA -0.609 57.657 58.200 0.110 0.000 0.869 564 S CB 2.238 65.504 63.200 0.109 0.000 1.105 564 S HN 0.510 nan 8.310 nan 0.000 0.472 565 E N 0.945 121.232 120.200 0.146 0.000 2.216 565 E HA -0.041 4.310 4.350 0.001 0.000 0.192 565 E C 0.606 177.314 176.600 0.181 0.000 0.988 565 E CA 0.723 57.224 56.400 0.168 0.000 0.834 565 E CB 0.278 30.032 29.700 0.091 0.000 0.772 565 E HN 0.524 nan 8.360 nan 0.000 0.479 566 T N -0.209 114.397 114.554 0.087 0.000 2.902 566 T HA 0.322 4.673 4.350 0.001 0.000 0.283 566 T C -0.539 174.041 174.700 -0.200 0.000 1.009 566 T CA -0.818 61.242 62.100 -0.067 0.000 1.051 566 T CB 1.451 70.280 68.868 -0.065 0.000 0.999 566 T HN -0.131 nan 8.240 nan 0.000 0.474 567 V N 6.366 125.974 119.914 -0.509 0.000 2.415 567 V HA 0.226 4.347 4.120 0.001 0.000 0.267 567 V C 0.438 176.364 176.094 -0.279 0.000 1.042 567 V CA -0.505 61.403 62.300 -0.653 0.000 1.000 567 V CB 0.798 32.113 31.823 -0.847 0.000 1.015 567 V HN 0.781 nan 8.190 nan 0.000 0.478 568 Q N 3.251 122.954 119.800 -0.161 0.000 2.296 568 Q HA 0.208 4.548 4.340 0.001 0.000 0.263 568 Q C -0.379 175.553 176.000 -0.114 0.000 1.026 568 Q CA -0.040 55.698 55.803 -0.108 0.000 0.912 568 Q CB 1.112 29.808 28.738 -0.070 0.000 1.198 568 Q HN 0.731 nan 8.270 nan 0.000 0.407 569 D N 3.029 123.364 120.400 -0.108 0.000 2.472 569 D HA 0.142 4.782 4.640 0.001 0.000 0.234 569 D C 0.691 176.903 176.300 -0.146 0.000 1.088 569 D CA -0.303 53.640 54.000 -0.095 0.000 0.882 569 D CB 0.381 41.163 40.800 -0.031 0.000 1.037 569 D HN 0.569 nan 8.370 nan 0.000 0.520 570 I N 3.462 123.857 120.570 -0.291 0.000 2.454 570 I HA -0.269 3.902 4.170 0.001 0.000 0.254 570 I C 0.712 176.661 176.117 -0.279 0.000 1.156 570 I CA 1.240 62.342 61.300 -0.329 0.000 1.433 570 I CB 0.106 37.854 38.000 -0.420 0.000 1.082 570 I HN 0.428 nan 8.210 nan 0.000 0.432 571 Y N 0.446 120.724 120.300 -0.036 0.000 2.314 571 Y HA 0.023 4.574 4.550 0.002 0.000 0.293 571 Y C 2.542 178.415 175.900 -0.046 0.000 1.129 571 Y CA 0.983 59.061 58.100 -0.037 0.000 1.201 571 Y CB -1.269 37.180 38.460 -0.019 0.000 0.999 571 Y HN 0.140 nan 8.280 nan 0.000 0.541 572 G N 0.047 108.894 108.800 0.079 0.000 2.430 572 G HA2 -0.114 3.846 3.960 0.001 0.000 0.216 572 G HA3 -0.114 3.846 3.960 0.001 0.000 0.216 572 G C 1.583 176.473 174.900 -0.016 0.000 1.146 572 G CA 0.570 45.684 45.100 0.024 0.000 0.793 572 G HN 0.187 nan 8.290 nan 0.000 0.537 573 I N 1.147 121.691 120.570 -0.043 0.000 2.252 573 I HA -0.094 4.077 4.170 0.001 0.000 0.245 573 I C 2.924 179.005 176.117 -0.061 0.000 1.102 573 I CA 0.711 61.975 61.300 -0.060 0.000 1.385 573 I CB -1.051 36.900 38.000 -0.083 0.000 1.064 573 I HN 0.020 nan 8.210 nan 0.000 0.414 574 V N 1.480 121.357 119.914 -0.062 0.000 2.261 574 V HA -0.253 3.868 4.120 0.001 0.000 0.246 574 V C 2.870 178.924 176.094 -0.068 0.000 1.047 574 V CA 1.855 64.111 62.300 -0.074 0.000 1.015 574 V CB -1.235 30.543 31.823 -0.074 0.000 0.642 574 V HN 0.446 nan 8.190 nan 0.000 0.446 575 A N -0.146 122.648 122.820 -0.043 0.000 1.908 575 A HA -0.308 4.013 4.320 0.001 0.000 0.218 575 A C 2.350 179.912 177.584 -0.037 0.000 1.181 575 A CA 2.370 54.383 52.037 -0.040 0.000 0.627 575 A CB -0.570 18.424 19.000 -0.011 0.000 0.818 575 A HN 0.554 nan 8.150 nan 0.000 0.445 576 K N -0.040 120.341 120.400 -0.032 0.000 2.063 576 K HA -0.198 4.123 4.320 0.001 0.000 0.208 576 K C 1.950 178.529 176.600 -0.036 0.000 1.048 576 K CA 1.825 58.094 56.287 -0.029 0.000 0.928 576 K CB -0.183 32.298 32.500 -0.031 0.000 0.713 576 K HN 0.485 nan 8.250 nan 0.000 0.442 577 K N 0.166 120.536 120.400 -0.050 0.000 2.148 577 K HA -0.067 4.254 4.320 0.001 0.000 0.204 577 K C 2.046 178.609 176.600 -0.062 0.000 1.050 577 K CA 1.113 57.365 56.287 -0.057 0.000 0.942 577 K CB 0.039 32.496 32.500 -0.072 0.000 0.724 577 K HN 0.006 nan 8.250 nan 0.000 0.446 578 V N 2.214 122.083 119.914 -0.076 0.000 2.295 578 V HA -0.248 3.873 4.120 0.001 0.000 0.246 578 V C 1.575 177.637 176.094 -0.053 0.000 1.049 578 V CA 1.853 64.096 62.300 -0.094 0.000 1.024 578 V CB -0.633 31.111 31.823 -0.132 0.000 0.648 578 V HN 0.307 nan 8.190 nan 0.000 0.447 579 N N 0.157 118.842 118.700 -0.027 0.000 2.205 579 N HA -0.169 4.572 4.740 0.001 0.000 0.186 579 N C 1.781 177.300 175.510 0.014 0.000 1.015 579 N CA 1.347 54.402 53.050 0.008 0.000 0.862 579 N CB -0.219 38.276 38.487 0.013 0.000 0.986 579 N HN 0.608 nan 8.380 nan 0.000 0.429 580 E N -0.039 120.160 120.200 -0.003 0.000 2.106 580 E HA -0.045 4.306 4.350 0.001 0.000 0.192 580 E C 1.688 178.294 176.600 0.009 0.000 0.984 580 E CA 0.706 57.107 56.400 0.001 0.000 0.806 580 E CB -0.040 29.654 29.700 -0.011 0.000 0.750 580 E HN 0.423 nan 8.360 nan 0.000 0.458 581 I N 0.587 121.155 120.570 -0.002 0.000 2.353 581 I HA -0.199 3.972 4.170 0.001 0.000 0.248 581 I C 2.317 178.466 176.117 0.053 0.000 1.119 581 I CA 0.345 61.649 61.300 0.007 0.000 1.417 581 I CB -0.054 37.924 38.000 -0.037 0.000 1.078 581 I HN 0.093 nan 8.210 nan 0.000 0.421 582 L N 0.482 121.741 121.223 0.060 0.000 2.056 582 L HA -0.188 4.153 4.340 0.001 0.000 0.207 582 L C 2.541 179.484 176.870 0.122 0.000 1.078 582 L CA 1.877 56.797 54.840 0.133 0.000 0.749 582 L CB -0.685 41.448 42.059 0.124 0.000 0.901 582 L HN 0.199 nan 8.230 nan 0.000 0.433 583 Q N -0.797 119.050 119.800 0.079 0.000 2.167 583 Q HA -0.054 4.287 4.340 0.001 0.000 0.202 583 Q C 2.248 178.282 176.000 0.057 0.000 0.970 583 Q CA 1.360 57.201 55.803 0.063 0.000 0.855 583 Q CB -0.359 28.404 28.738 0.043 0.000 0.911 583 Q HN 0.631 nan 8.270 nan 0.000 0.438 584 A N 1.222 124.076 122.820 0.057 0.000 1.933 584 A HA -0.173 4.148 4.320 0.001 0.000 0.218 584 A C 1.458 179.080 177.584 0.064 0.000 1.175 584 A CA 1.737 53.804 52.037 0.051 0.000 0.628 584 A CB -0.250 18.776 19.000 0.043 0.000 0.814 584 A HN 0.203 nan 8.150 nan 0.000 0.444 585 D N -0.338 120.118 120.400 0.094 0.000 2.323 585 D HA 0.182 4.823 4.640 0.001 0.000 0.209 585 D C 1.991 178.334 176.300 0.071 0.000 0.973 585 D CA 0.976 55.038 54.000 0.103 0.000 0.874 585 D CB -0.161 40.749 40.800 0.183 0.000 0.930 585 D HN 0.417 nan 8.370 nan 0.000 0.521 586 A N 0.202 123.063 122.820 0.068 0.000 1.969 586 A HA -0.072 4.249 4.320 0.001 0.000 0.218 586 A C 2.046 179.648 177.584 0.031 0.000 1.169 586 A CA 0.833 52.898 52.037 0.047 0.000 0.635 586 A CB -0.245 18.786 19.000 0.052 0.000 0.810 586 A HN 0.241 nan 8.150 nan 0.000 0.445 587 I N -1.898 118.691 120.570 0.032 0.000 3.339 587 I HA 0.217 4.388 4.170 0.001 0.000 0.285 587 I C -0.168 175.963 176.117 0.022 0.000 1.201 587 I CA 0.444 61.758 61.300 0.023 0.000 1.434 587 I CB 0.317 38.330 38.000 0.021 0.000 1.152 587 I HN 0.224 nan 8.210 nan 0.000 0.443 588 N N 0.161 118.878 118.700 0.029 0.000 2.621 588 N HA 0.536 5.277 4.740 0.001 0.000 0.271 588 N C -0.488 175.044 175.510 0.037 0.000 1.181 588 N CA 0.244 53.311 53.050 0.028 0.000 0.805 588 N CB 0.990 39.492 38.487 0.025 0.000 1.351 588 N HN 0.277 nan 8.380 nan 0.000 0.539 589 G N 0.071 108.891 108.800 0.034 0.000 3.187 589 G HA2 0.463 4.424 3.960 0.001 0.000 0.175 589 G HA3 0.463 4.424 3.960 0.001 0.000 0.175 589 G C -1.191 173.729 174.900 0.032 0.000 1.112 589 G CA -0.310 44.815 45.100 0.043 0.000 0.821 589 G HN 0.252 nan 8.290 nan 0.000 0.636 590 T N 1.520 116.091 114.554 0.027 0.000 2.855 590 T HA 0.597 4.947 4.350 0.001 0.000 0.281 590 T C -1.257 173.445 174.700 0.004 0.000 1.007 590 T CA -0.438 61.674 62.100 0.020 0.000 1.009 590 T CB 1.799 70.684 68.868 0.030 0.000 0.983 590 T HN 0.306 nan 8.240 nan 0.000 0.455 591 D N 1.670 122.073 120.400 0.004 0.000 2.340 591 D HA 0.295 4.935 4.640 0.001 0.000 0.251 591 D C 0.119 176.417 176.300 -0.004 0.000 1.080 591 D CA -0.604 53.394 54.000 -0.002 0.000 0.971 591 D CB 0.482 41.282 40.800 0.000 0.000 1.137 591 D HN 0.298 nan 8.370 nan 0.000 0.475 592 N N 1.019 119.714 118.700 -0.008 0.000 2.492 592 N HA 0.110 4.851 4.740 0.001 0.000 0.262 592 N C 0.018 175.528 175.510 -0.001 0.000 1.202 592 N CA 0.242 53.288 53.050 -0.007 0.000 0.926 592 N CB 0.714 39.194 38.487 -0.012 0.000 1.078 592 N HN 0.313 nan 8.380 nan 0.000 0.454 593 E N -0.240 119.962 120.200 0.002 0.000 2.316 593 E HA 0.594 4.945 4.350 0.001 0.000 0.258 593 E C -0.744 175.859 176.600 0.005 0.000 0.952 593 E CA -1.107 55.296 56.400 0.006 0.000 0.818 593 E CB 1.791 31.497 29.700 0.010 0.000 1.260 593 E HN 0.340 nan 8.360 nan 0.000 0.416 594 V N -0.253 119.665 119.914 0.007 0.000 2.357 594 V HA 0.172 4.293 4.120 0.001 0.000 0.281 594 V C 0.627 176.726 176.094 0.008 0.000 1.015 594 V CA -0.772 61.532 62.300 0.007 0.000 0.827 594 V CB 0.507 32.333 31.823 0.005 0.000 1.018 594 V HN 0.651 nan 8.190 nan 0.000 0.432 595 V N 0.959 120.879 119.914 0.010 0.000 2.970 595 V HA -0.002 4.119 4.120 0.001 0.000 0.260 595 V C 1.484 177.584 176.094 0.010 0.000 1.100 595 V CA 1.188 63.495 62.300 0.011 0.000 1.122 595 V CB -1.225 30.607 31.823 0.014 0.000 0.721 595 V HN 1.480 nan 8.190 nan 0.000 0.483 596 T N 0.962 115.521 114.554 0.009 0.000 3.151 596 T HA -0.182 4.169 4.350 0.001 0.000 0.438 596 T C -0.162 174.543 174.700 0.008 0.000 0.772 596 T CA 0.760 62.865 62.100 0.008 0.000 2.200 596 T CB -1.639 67.233 68.868 0.007 0.000 1.653 596 T HN 0.721 nan 8.240 nan 0.000 0.581 597 V N 4.887 124.806 119.914 0.009 0.000 2.364 597 V HA 0.702 4.823 4.120 0.001 0.000 0.272 597 V C 0.764 176.863 176.094 0.008 0.000 1.036 597 V CA 0.099 62.405 62.300 0.009 0.000 0.880 597 V CB 1.476 33.306 31.823 0.011 0.000 0.991 597 V HN 0.812 nan 8.190 nan 0.000 0.460 606 S N 4.103 119.806 115.700 0.006 0.000 2.457 606 S HA 0.625 5.096 4.470 0.001 0.000 0.289 606 S C -0.683 173.922 174.600 0.007 0.000 1.163 606 S CA -0.515 57.689 58.200 0.007 0.000 1.078 606 S CB 0.927 64.132 63.200 0.007 0.000 0.987 606 S HN 0.732 nan 8.310 nan 0.000 0.482 607 E N 1.891 122.095 120.200 0.007 0.000 2.321 607 E HA 0.527 4.878 4.350 0.001 0.000 0.281 607 E C -1.376 175.229 176.600 0.008 0.000 0.910 607 E CA -1.182 55.222 56.400 0.007 0.000 0.770 607 E CB 1.385 31.088 29.700 0.006 0.000 1.225 607 E HN 0.534 nan 8.360 nan 0.000 0.417 608 K N 0.549 120.954 120.400 0.008 0.000 2.395 608 K HA 0.637 4.957 4.320 0.001 0.000 0.247 608 K C -1.143 175.461 176.600 0.007 0.000 0.973 608 K CA -1.038 55.254 56.287 0.008 0.000 0.828 608 K CB 2.120 34.626 32.500 0.010 0.000 1.272 608 K HN 0.257 nan 8.250 nan 0.000 0.439 609 V N 2.091 122.008 119.914 0.005 0.000 2.406 609 V HA 0.202 4.322 4.120 0.001 0.000 0.272 609 V C -0.210 175.887 176.094 0.005 0.000 1.043 609 V CA -0.513 61.789 62.300 0.004 0.000 0.915 609 V CB 0.880 32.703 31.823 -0.001 0.000 0.988 609 V HN 0.752 nan 8.190 nan 0.000 0.466 610 K N 5.901 126.305 120.400 0.007 0.000 2.253 610 K HA 0.493 4.814 4.320 0.001 0.000 0.277 610 K C -0.631 175.970 176.600 0.003 0.000 1.053 610 K CA -0.555 55.738 56.287 0.009 0.000 0.892 610 K CB 0.590 33.099 32.500 0.016 0.000 1.102 610 K HN 0.605 nan 8.250 nan 0.000 0.469 611 L N 3.619 124.841 121.223 -0.003 0.000 2.416 611 L HA 0.246 4.587 4.340 0.001 0.000 0.272 611 L C 1.165 178.020 176.870 -0.026 0.000 1.161 611 L CA -0.379 54.449 54.840 -0.020 0.000 0.845 611 L CB 0.868 42.907 42.059 -0.033 0.000 1.119 611 L HN 0.805 nan 8.230 nan 0.000 0.464 612 G N 0.175 108.954 108.800 -0.035 0.000 2.563 612 G HA2 0.272 4.232 3.960 0.001 0.000 0.283 612 G HA3 0.272 4.232 3.960 0.001 0.000 0.283 612 G C 0.996 175.842 174.900 -0.090 0.000 1.309 612 G CA 0.223 45.304 45.100 -0.032 0.000 1.022 612 G HN 0.731 nan 8.290 nan 0.000 0.501 613 T N -2.078 112.441 114.554 -0.058 0.000 2.995 613 T HA -0.021 4.330 4.350 0.001 0.000 0.269 613 T C 1.894 176.514 174.700 -0.133 0.000 1.091 613 T CA 1.228 63.258 62.100 -0.117 0.000 1.128 613 T CB -0.053 68.880 68.868 0.108 0.000 0.891 613 T HN 0.437 nan 8.240 nan 0.000 0.492 614 K N 1.341 121.704 120.400 -0.062 0.000 2.001 614 K HA 0.162 4.483 4.320 0.001 0.000 0.208 614 K C 2.874 179.435 176.600 -0.065 0.000 1.048 614 K CA 1.202 57.467 56.287 -0.038 0.000 0.932 614 K CB -0.494 31.997 32.500 -0.016 0.000 0.715 614 K HN 0.410 nan 8.250 nan 0.000 0.437 615 A N 1.571 124.342 122.820 -0.082 0.000 1.902 615 A HA -0.131 4.190 4.320 0.001 0.000 0.217 615 A C 2.170 179.685 177.584 -0.116 0.000 1.181 615 A CA 1.302 53.288 52.037 -0.084 0.000 0.623 615 A CB -0.690 18.266 19.000 -0.072 0.000 0.818 615 A HN 0.155 nan 8.150 nan 0.000 0.443 616 L N -0.811 120.298 121.223 -0.190 0.000 2.093 616 L HA -0.167 4.174 4.340 0.001 0.000 0.208 616 L C 3.073 179.908 176.870 -0.058 0.000 1.085 616 L CA 0.987 55.700 54.840 -0.211 0.000 0.755 616 L CB -0.572 41.200 42.059 -0.479 0.000 0.904 616 L HN 0.423 nan 8.230 nan 0.000 0.435 617 A N 0.448 123.201 122.820 -0.112 0.000 1.933 617 A HA -0.132 4.189 4.320 0.001 0.000 0.218 617 A C 2.412 180.083 177.584 0.144 0.000 1.175 617 A CA 1.750 53.875 52.037 0.147 0.000 0.628 617 A CB -1.238 17.837 19.000 0.125 0.000 0.814 617 A HN 0.442 nan 8.150 nan 0.000 0.444 618 G N -1.037 107.783 108.800 0.033 0.000 2.422 618 G HA2 -0.196 3.765 3.960 0.001 0.000 0.218 618 G HA3 -0.196 3.765 3.960 0.001 0.000 0.218 618 G C 1.583 176.458 174.900 -0.041 0.000 1.140 618 G CA 0.916 46.018 45.100 0.003 0.000 0.775 618 G HN 0.644 nan 8.290 nan 0.000 0.545 619 Q N -1.012 118.718 119.800 -0.117 0.000 2.167 619 Q HA -0.082 4.259 4.340 0.001 0.000 0.202 619 Q C 2.263 178.049 176.000 -0.357 0.000 0.970 619 Q CA 0.983 56.582 55.803 -0.340 0.000 0.855 619 Q CB -0.122 28.321 28.738 -0.493 0.000 0.911 619 Q HN 0.759 nan 8.270 nan 0.000 0.438 620 W N 0.288 121.603 121.300 0.026 0.000 2.523 620 W HA 0.029 4.690 4.660 0.002 0.000 0.278 620 W C 1.699 178.301 176.519 0.138 0.000 1.236 620 W CA 0.221 57.660 57.345 0.156 0.000 1.306 620 W CB 0.091 29.694 29.460 0.239 0.000 1.101 620 W HN 0.058 nan 8.180 nan 0.000 0.577 621 L N -0.056 121.336 121.223 0.281 0.000 2.291 621 L HA -0.057 4.284 4.340 0.001 0.000 0.214 621 L C 2.380 179.312 176.870 0.102 0.000 1.120 621 L CA 0.937 55.880 54.840 0.173 0.000 0.799 621 L CB -0.757 41.372 42.059 0.117 0.000 0.925 621 L HN -0.033 nan 8.230 nan 0.000 0.446 622 A N -1.827 121.025 122.820 0.052 0.000 2.238 622 A HA -0.132 4.189 4.320 0.001 0.000 0.208 622 A C 1.823 179.428 177.584 0.035 0.000 1.177 622 A CA 0.541 52.575 52.037 -0.005 0.000 0.804 622 A CB -0.305 18.645 19.000 -0.085 0.000 0.823 622 A HN 0.512 nan 8.150 nan 0.000 0.482 623 Y N -0.675 119.603 120.300 -0.036 0.000 2.526 623 Y HA 0.388 4.938 4.550 0.001 0.000 0.265 623 Y C 0.944 176.916 175.900 0.119 0.000 1.092 623 Y CA 0.724 58.836 58.100 0.021 0.000 1.277 623 Y CB 0.656 39.138 38.460 0.038 0.000 1.228 623 Y HN 0.482 nan 8.280 nan 0.000 0.507 624 G N 1.698 110.606 108.800 0.181 0.000 3.421 624 G HA2 -0.168 3.792 3.960 0.001 0.000 0.656 624 G HA3 -0.168 3.792 3.960 0.001 0.000 0.656 624 G C -1.121 173.895 174.900 0.194 0.000 1.007 624 G CA -0.104 45.057 45.100 0.101 0.000 0.811 624 G HN 0.273 nan 8.290 nan 0.000 0.433 625 V N 4.511 124.565 119.914 0.233 0.000 2.322 625 V HA 0.519 4.640 4.120 0.001 0.000 0.258 625 V C 1.379 177.524 176.094 0.087 0.000 1.074 625 V CA 0.425 62.846 62.300 0.202 0.000 0.909 625 V CB 0.065 31.956 31.823 0.114 0.000 1.090 625 V HN 1.199 nan 8.190 nan 0.000 0.486 626 T N 2.586 117.185 114.554 0.075 0.000 2.924 626 T HA 0.288 4.639 4.350 0.001 0.000 0.301 626 T C 1.451 176.169 174.700 0.030 0.000 1.120 626 T CA -0.206 61.914 62.100 0.033 0.000 0.940 626 T CB 0.647 69.521 68.868 0.010 0.000 1.591 626 T HN 0.584 nan 8.240 nan 0.000 0.578 627 R N 0.503 121.018 120.500 0.024 0.000 2.115 627 R HA -0.047 4.294 4.340 0.001 0.000 0.230 627 R C 2.399 178.700 176.300 0.002 0.000 1.111 627 R CA 1.650 57.774 56.100 0.040 0.000 0.976 627 R CB -1.112 29.227 30.300 0.065 0.000 0.870 627 R HN 0.653 nan 8.270 nan 0.000 0.445 628 S N 1.129 116.825 115.700 -0.005 0.000 2.399 628 S HA -0.089 4.382 4.470 0.001 0.000 0.231 628 S C 2.077 176.684 174.600 0.012 0.000 1.022 628 S CA 1.199 59.389 58.200 -0.017 0.000 0.983 628 S CB -0.491 62.716 63.200 0.011 0.000 0.803 628 S HN 0.184 nan 8.310 nan 0.000 0.480 629 V N 2.757 122.701 119.914 0.049 0.000 2.515 629 V HA -0.099 4.022 4.120 0.001 0.000 0.250 629 V C 2.957 179.039 176.094 -0.021 0.000 1.058 629 V CA 1.893 64.222 62.300 0.049 0.000 1.064 629 V CB -1.417 30.445 31.823 0.065 0.000 0.675 629 V HN 0.880 nan 8.190 nan 0.000 0.461 630 T N -3.490 111.049 114.554 -0.026 0.000 3.037 630 T HA 0.061 4.412 4.350 0.001 0.000 0.251 630 T C 1.653 176.360 174.700 0.011 0.000 1.079 630 T CA 0.184 62.266 62.100 -0.029 0.000 1.067 630 T CB 0.027 68.885 68.868 -0.016 0.000 0.948 630 T HN 0.339 nan 8.240 nan 0.000 0.496 631 K N 1.318 121.672 120.400 -0.076 0.000 1.998 631 K HA -0.221 4.100 4.320 0.001 0.000 0.228 631 K C 2.542 179.079 176.600 -0.104 0.000 1.053 631 K CA 2.080 58.176 56.287 -0.318 0.000 0.988 631 K CB -0.278 31.974 32.500 -0.414 0.000 0.735 631 K HN 0.205 nan 8.250 nan 0.000 0.448 632 R N 0.505 120.993 120.500 -0.021 0.000 2.120 632 R HA -0.082 4.259 4.340 0.001 0.000 0.234 632 R C 2.262 178.680 176.300 0.197 0.000 1.123 632 R CA 1.597 57.752 56.100 0.092 0.000 0.975 632 R CB -0.002 30.352 30.300 0.090 0.000 0.866 632 R HN 0.182 nan 8.270 nan 0.000 0.446 633 S N -0.262 115.537 115.700 0.165 0.000 2.402 633 S HA -0.075 4.396 4.470 0.001 0.000 0.229 633 S C 1.854 176.551 174.600 0.161 0.000 1.021 633 S CA 1.056 59.379 58.200 0.204 0.000 0.974 633 S CB 0.085 63.228 63.200 -0.095 0.000 0.800 633 S HN 0.119 nan 8.310 nan 0.000 0.484 634 V N 2.169 122.166 119.914 0.139 0.000 2.407 634 V HA -0.096 4.025 4.120 0.001 0.000 0.245 634 V C 2.224 178.430 176.094 0.187 0.000 1.041 634 V CA 1.381 63.766 62.300 0.142 0.000 1.040 634 V CB -0.638 31.313 31.823 0.214 0.000 0.671 634 V HN 0.465 nan 8.190 nan 0.000 0.455 635 M N 0.916 120.677 119.600 0.268 0.000 2.059 635 M HA -0.159 4.322 4.480 0.001 0.000 0.259 635 M C 2.516 178.902 176.300 0.142 0.000 1.072 635 M CA 2.433 57.861 55.300 0.214 0.000 1.117 635 M CB -1.202 31.588 32.600 0.316 0.000 1.320 635 M HN 0.578 nan 8.290 nan 0.000 0.408 636 T N -0.148 114.609 114.554 0.338 0.000 2.897 636 T HA -0.136 4.215 4.350 0.001 0.000 0.271 636 T C 1.666 176.551 174.700 0.308 0.000 1.084 636 T CA 1.043 63.405 62.100 0.436 0.000 1.123 636 T CB -0.595 68.492 68.868 0.365 0.000 0.865 636 T HN 0.255 nan 8.240 nan 0.000 0.496 637 L N 1.794 123.208 121.223 0.318 0.000 2.046 637 L HA 0.253 4.593 4.340 0.001 0.000 0.208 637 L C 2.606 179.530 176.870 0.089 0.000 1.077 637 L CA 1.770 56.781 54.840 0.285 0.000 0.747 637 L CB -1.015 41.239 42.059 0.324 0.000 0.896 637 L HN 0.359 nan 8.230 nan 0.000 0.432 638 A N -2.126 120.659 122.820 -0.059 0.000 2.247 638 A HA -0.068 4.253 4.320 0.001 0.000 0.205 638 A C 0.210 177.677 177.584 -0.194 0.000 1.261 638 A CA 0.564 52.512 52.037 -0.149 0.000 0.853 638 A CB -1.011 17.874 19.000 -0.191 0.000 0.793 638 A HN 0.614 nan 8.150 nan 0.000 0.487 639 Y N -1.387 119.034 120.300 0.201 0.000 2.742 639 Y HA 0.396 4.947 4.550 0.001 0.000 0.248 639 Y C 1.312 177.299 175.900 0.145 0.000 1.132 639 Y CA -0.898 57.308 58.100 0.178 0.000 1.142 639 Y CB -0.123 38.437 38.460 0.166 0.000 1.222 639 Y HN 0.381 nan 8.280 nan 0.000 0.575 640 G N 0.922 109.855 108.800 0.220 0.000 2.272 640 G HA2 -0.260 3.701 3.960 0.001 0.000 0.280 640 G HA3 -0.260 3.701 3.960 0.001 0.000 0.280 640 G C 0.255 175.224 174.900 0.114 0.000 1.067 640 G CA 0.590 45.778 45.100 0.147 0.000 0.902 640 G HN 0.416 nan 8.290 nan 0.000 0.500 641 S N -0.940 114.819 115.700 0.098 0.000 2.693 641 S HA 0.819 5.290 4.470 0.001 0.000 0.276 641 S C 0.397 174.966 174.600 -0.052 0.000 1.192 641 S CA -0.383 57.792 58.200 -0.042 0.000 0.994 641 S CB 1.062 64.150 63.200 -0.187 0.000 1.012 641 S HN 0.357 nan 8.310 nan 0.000 0.550 642 K N 1.182 121.453 120.400 -0.214 0.000 2.346 642 K HA 0.327 4.647 4.320 0.001 0.000 0.238 642 K C 1.082 177.474 176.600 -0.347 0.000 1.039 642 K CA -0.748 55.440 56.287 -0.164 0.000 0.861 642 K CB 0.598 33.023 32.500 -0.126 0.000 1.278 642 K HN 0.840 nan 8.250 nan 0.000 0.460 643 E N 0.576 120.562 120.200 -0.357 0.000 2.038 643 E HA -0.208 4.143 4.350 0.001 0.000 0.195 643 E C 1.596 178.196 176.600 -0.001 0.000 1.000 643 E CA 1.505 57.827 56.400 -0.130 0.000 0.803 643 E CB -0.124 29.238 29.700 -0.563 0.000 0.750 643 E HN 0.469 nan 8.360 nan 0.000 0.448 644 F N 0.771 120.617 119.950 -0.174 0.000 2.154 644 F HA -0.172 4.356 4.527 0.001 0.000 0.301 644 F C 2.041 177.791 175.800 -0.083 0.000 1.087 644 F CA 1.897 59.837 58.000 -0.100 0.000 1.274 644 F CB -0.497 38.441 39.000 -0.104 0.000 1.009 644 F HN 0.122 nan 8.300 nan 0.000 0.485 645 G N -0.621 108.217 108.800 0.065 0.000 2.422 645 G HA2 -0.280 3.681 3.960 0.001 0.000 0.218 645 G HA3 -0.280 3.681 3.960 0.001 0.000 0.218 645 G C 1.479 176.329 174.900 -0.083 0.000 1.146 645 G CA 0.894 45.966 45.100 -0.047 0.000 0.769 645 G HN 0.351 nan 8.290 nan 0.000 0.547 646 F N 0.711 120.689 119.950 0.046 0.000 2.134 646 F HA 0.056 4.584 4.527 0.001 0.000 0.299 646 F C 2.649 178.428 175.800 -0.035 0.000 1.097 646 F CA 1.128 59.143 58.000 0.025 0.000 1.264 646 F CB -0.602 38.426 39.000 0.046 0.000 1.001 646 F HN 0.048 nan 8.300 nan 0.000 0.479 647 R N 0.729 121.275 120.500 0.076 0.000 2.113 647 R HA -0.255 4.085 4.340 0.001 0.000 0.244 647 R C 2.070 178.335 176.300 -0.058 0.000 1.142 647 R CA 2.225 58.292 56.100 -0.055 0.000 0.953 647 R CB -0.468 29.681 30.300 -0.252 0.000 0.860 647 R HN 0.384 nan 8.270 nan 0.000 0.438 648 Q N -0.243 119.513 119.800 -0.074 0.000 2.124 648 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 648 Q C 2.284 178.293 176.000 0.014 0.000 0.977 648 Q CA 1.847 57.630 55.803 -0.033 0.000 0.850 648 Q CB -0.022 28.716 28.738 0.000 0.000 0.901 648 Q HN 0.579 nan 8.270 nan 0.000 0.429 649 Q N -0.143 119.692 119.800 0.057 0.000 2.020 649 Q HA -0.104 4.237 4.340 0.001 0.000 0.198 649 Q C 2.317 178.353 176.000 0.060 0.000 0.974 649 Q CA 1.455 57.306 55.803 0.081 0.000 0.829 649 Q CB -0.045 28.784 28.738 0.152 0.000 0.894 649 Q HN 0.209 nan 8.270 nan 0.000 0.433 650 V N 1.400 121.352 119.914 0.063 0.000 2.392 650 V HA -0.258 3.863 4.120 0.001 0.000 0.249 650 V C 2.225 178.328 176.094 0.015 0.000 1.059 650 V CA 1.470 63.795 62.300 0.042 0.000 1.051 650 V CB -0.607 31.233 31.823 0.028 0.000 0.658 650 V HN 0.283 nan 8.190 nan 0.000 0.455 651 L N 0.232 121.447 121.223 -0.012 0.000 2.056 651 L HA -0.135 4.206 4.340 0.001 0.000 0.207 651 L C 2.379 179.217 176.870 -0.054 0.000 1.078 651 L CA 1.939 56.742 54.840 -0.062 0.000 0.749 651 L CB -0.657 41.364 42.059 -0.063 0.000 0.901 651 L HN 0.366 nan 8.230 nan 0.000 0.433 652 E N -0.836 119.352 120.200 -0.019 0.000 2.072 652 E HA -0.157 4.194 4.350 0.001 0.000 0.190 652 E C 1.579 178.180 176.600 0.002 0.000 0.982 652 E CA 1.217 57.612 56.400 -0.007 0.000 0.803 652 E CB -0.035 29.670 29.700 0.009 0.000 0.755 652 E HN 0.557 nan 8.360 nan 0.000 0.453 653 D N -0.557 119.853 120.400 0.016 0.000 2.213 653 D HA -0.019 4.622 4.640 0.001 0.000 0.205 653 D C 1.460 177.785 176.300 0.041 0.000 0.961 653 D CA 1.080 55.099 54.000 0.031 0.000 0.853 653 D CB 0.274 41.099 40.800 0.041 0.000 0.967 653 D HN 0.099 nan 8.370 nan 0.000 0.496 654 T N -0.074 114.497 114.554 0.028 0.000 3.182 654 T HA 0.151 4.502 4.350 0.001 0.000 0.244 654 T C 2.093 176.719 174.700 -0.124 0.000 0.981 654 T CA -0.224 61.901 62.100 0.042 0.000 1.182 654 T CB 0.202 69.161 68.868 0.151 0.000 1.043 654 T HN -0.111 nan 8.240 nan 0.000 0.424 655 I N 1.867 122.283 120.570 -0.258 0.000 2.090 655 I HA -0.162 4.008 4.170 0.001 0.000 0.236 655 I C 2.739 178.676 176.117 -0.300 0.000 1.064 655 I CA 1.502 62.468 61.300 -0.557 0.000 1.324 655 I CB -0.461 37.139 38.000 -0.666 0.000 1.044 655 I HN 0.134 nan 8.210 nan 0.000 0.399 656 Q N 1.015 120.712 119.800 -0.171 0.000 2.045 656 Q HA -0.167 4.174 4.340 0.001 0.000 0.206 656 Q C -0.672 175.301 176.000 -0.045 0.000 0.991 656 Q CA 2.372 58.120 55.803 -0.091 0.000 0.851 656 Q CB -1.511 27.192 28.738 -0.058 0.000 0.911 656 Q HN 0.313 nan 8.270 nan 0.000 0.418 657 P HA -0.146 nan 4.420 nan 0.000 0.219 657 P C 0.475 177.799 177.300 0.039 0.000 1.146 657 P CA 1.844 64.953 63.100 0.015 0.000 0.808 657 P CB -0.182 31.537 31.700 0.032 0.000 0.779 658 A N -0.388 122.451 122.820 0.032 0.000 1.898 658 A HA -0.121 4.200 4.320 0.001 0.000 0.216 658 A C 2.168 179.800 177.584 0.080 0.000 1.181 658 A CA 1.211 53.305 52.037 0.095 0.000 0.620 658 A CB -1.415 17.621 19.000 0.060 0.000 0.819 658 A HN 0.083 nan 8.150 nan 0.000 0.442 659 I N 0.574 121.165 120.570 0.036 0.000 2.315 659 I HA -0.193 3.978 4.170 0.001 0.000 0.248 659 I C 1.539 177.672 176.117 0.027 0.000 1.117 659 I CA 1.519 62.840 61.300 0.035 0.000 1.404 659 I CB -0.327 37.679 38.000 0.009 0.000 1.071 659 I HN 0.225 nan 8.210 nan 0.000 0.419 660 D N -0.847 119.566 120.400 0.020 0.000 2.178 660 D HA -0.131 4.510 4.640 0.001 0.000 0.202 660 D C 2.266 178.584 176.300 0.030 0.000 0.974 660 D CA 1.153 55.164 54.000 0.019 0.000 0.841 660 D CB -0.230 40.578 40.800 0.014 0.000 0.953 660 D HN 0.154 nan 8.370 nan 0.000 0.478 661 S N -1.142 114.585 115.700 0.045 0.000 2.562 661 S HA 0.205 4.676 4.470 0.001 0.000 0.221 661 S C 1.509 176.142 174.600 0.055 0.000 0.975 661 S CA 0.878 59.111 58.200 0.053 0.000 0.918 661 S CB -0.227 63.016 63.200 0.072 0.000 0.772 661 S HN 0.375 nan 8.310 nan 0.000 0.531 662 G N 1.200 110.032 108.800 0.052 0.000 2.148 662 G HA2 -0.253 3.708 3.960 0.001 0.000 0.254 662 G HA3 -0.253 3.708 3.960 0.001 0.000 0.254 662 G C 0.527 175.461 174.900 0.056 0.000 0.981 662 G CA 0.662 45.789 45.100 0.045 0.000 0.670 662 G HN 0.573 nan 8.290 nan 0.000 0.528 663 K N -0.317 120.138 120.400 0.091 0.000 2.387 663 K HA 0.365 4.686 4.320 0.001 0.000 0.203 663 K C 1.810 178.503 176.600 0.155 0.000 1.030 663 K CA 0.424 56.787 56.287 0.127 0.000 1.099 663 K CB 0.891 33.498 32.500 0.179 0.000 0.863 663 K HN 0.283 nan 8.250 nan 0.000 0.529 664 G N 0.456 109.326 108.800 0.117 0.000 3.690 664 G HA2 0.054 4.015 3.960 0.001 0.000 0.283 664 G HA3 0.054 4.015 3.960 0.001 0.000 0.283 664 G C 0.714 175.649 174.900 0.060 0.000 1.057 664 G CA -0.218 44.972 45.100 0.151 0.000 0.821 664 G HN 0.010 nan 8.290 nan 0.000 0.526 665 L N 1.151 122.367 121.223 -0.012 0.000 2.450 665 L HA -0.036 4.305 4.340 0.001 0.000 0.224 665 L C 2.961 179.762 176.870 -0.116 0.000 1.149 665 L CA 1.240 56.057 54.840 -0.040 0.000 0.816 665 L CB -0.446 41.594 42.059 -0.030 0.000 0.932 665 L HN 0.499 nan 8.230 nan 0.000 0.449 666 M N -3.026 116.420 119.600 -0.256 0.000 2.200 666 M HA -0.065 4.416 4.480 0.001 0.000 0.265 666 M C 0.382 176.408 176.300 -0.458 0.000 1.066 666 M CA 1.191 56.240 55.300 -0.418 0.000 1.127 666 M CB -0.692 31.527 32.600 -0.635 0.000 1.379 666 M HN -0.047 nan 8.290 nan 0.000 0.420 667 F N 3.767 123.583 119.950 -0.225 0.000 2.600 667 F HA 0.154 4.681 4.527 0.001 0.000 0.345 667 F C 1.912 177.623 175.800 -0.148 0.000 1.271 667 F CA 0.181 58.036 58.000 -0.242 0.000 1.138 667 F CB -0.624 38.196 39.000 -0.299 0.000 1.449 667 F HN 0.262 nan 8.300 nan 0.000 0.645 668 T N -1.035 113.516 114.554 -0.004 0.000 2.674 668 T HA -0.190 4.161 4.350 0.001 0.000 0.265 668 T C 0.908 175.617 174.700 0.015 0.000 1.039 668 T CA 0.953 63.050 62.100 -0.005 0.000 1.150 668 T CB -0.152 68.699 68.868 -0.029 0.000 0.864 668 T HN 0.277 nan 8.240 nan 0.000 0.427 669 Q N 2.065 121.877 119.800 0.021 0.000 2.506 669 Q HA 0.364 4.704 4.340 0.001 0.000 0.242 669 Q C -1.846 174.173 176.000 0.031 0.000 1.060 669 Q CA -2.540 53.276 55.803 0.021 0.000 0.826 669 Q CB 2.016 30.763 28.738 0.015 0.000 1.169 669 Q HN 0.280 nan 8.270 nan 0.000 0.521 670 P HA -0.193 nan 4.420 nan 0.000 0.215 670 P C 0.635 177.898 177.300 -0.062 0.000 1.157 670 P CA 1.219 64.282 63.100 -0.061 0.000 0.863 670 P CB 0.551 32.201 31.700 -0.084 0.000 0.787 671 N N -0.169 118.511 118.700 -0.032 0.000 2.244 671 N HA -0.143 4.598 4.740 0.001 0.000 0.183 671 N C 1.941 177.456 175.510 0.008 0.000 1.016 671 N CA 1.218 54.250 53.050 -0.029 0.000 0.866 671 N CB -0.503 37.965 38.487 -0.031 0.000 0.980 671 N HN 0.164 nan 8.380 nan 0.000 0.430 672 Q N -0.795 119.026 119.800 0.034 0.000 2.172 672 Q HA 0.073 4.414 4.340 0.001 0.000 0.200 672 Q C 1.888 177.980 176.000 0.155 0.000 0.964 672 Q CA 1.242 57.088 55.803 0.072 0.000 0.855 672 Q CB -0.061 28.709 28.738 0.054 0.000 0.918 672 Q HN 0.466 nan 8.270 nan 0.000 0.444 673 A N 0.920 123.844 122.820 0.174 0.000 1.968 673 A HA 0.031 4.351 4.320 0.001 0.000 0.217 673 A C 2.228 180.109 177.584 0.494 0.000 1.169 673 A CA 1.248 53.507 52.037 0.370 0.000 0.638 673 A CB -0.436 18.715 19.000 0.252 0.000 0.812 673 A HN 0.355 nan 8.150 nan 0.000 0.446 674 A N -0.391 122.566 122.820 0.228 0.000 1.929 674 A HA 0.209 4.530 4.320 0.001 0.000 0.216 674 A C 2.338 179.984 177.584 0.103 0.000 1.176 674 A CA 1.663 53.794 52.037 0.156 0.000 0.628 674 A CB -1.195 17.816 19.000 0.018 0.000 0.816 674 A HN 0.632 nan 8.150 nan 0.000 0.444 675 G N -1.564 107.287 108.800 0.085 0.000 2.402 675 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 675 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 675 G C 1.542 176.506 174.900 0.106 0.000 1.162 675 G CA 1.241 46.367 45.100 0.043 0.000 0.777 675 G HN 0.562 nan 8.290 nan 0.000 0.539 676 Y N 0.580 120.923 120.300 0.073 0.000 2.114 676 Y HA -0.118 4.433 4.550 0.001 0.000 0.284 676 Y C 2.695 178.591 175.900 -0.008 0.000 1.143 676 Y CA 2.230 60.374 58.100 0.074 0.000 1.135 676 Y CB -0.202 38.358 38.460 0.166 0.000 0.980 676 Y HN 0.209 nan 8.280 nan 0.000 0.499 677 M N 0.627 120.193 119.600 -0.057 0.000 2.213 677 M HA -0.065 4.416 4.480 0.001 0.000 0.263 677 M C 2.149 178.282 176.300 -0.279 0.000 1.062 677 M CA 1.880 56.948 55.300 -0.386 0.000 1.105 677 M CB -0.954 31.283 32.600 -0.605 0.000 1.385 677 M HN 0.336 nan 8.290 nan 0.000 0.417 678 A N -0.447 122.302 122.820 -0.118 0.000 1.902 678 A HA -0.205 4.116 4.320 0.001 0.000 0.217 678 A C 2.278 179.851 177.584 -0.017 0.000 1.181 678 A CA 1.967 53.989 52.037 -0.025 0.000 0.623 678 A CB -0.751 18.295 19.000 0.077 0.000 0.818 678 A HN 0.587 nan 8.150 nan 0.000 0.443 679 K N -0.257 120.102 120.400 -0.069 0.000 2.097 679 K HA -0.026 4.294 4.320 0.001 0.000 0.205 679 K C 1.820 178.372 176.600 -0.080 0.000 1.050 679 K CA 1.143 57.403 56.287 -0.044 0.000 0.938 679 K CB -0.257 32.198 32.500 -0.075 0.000 0.718 679 K HN 0.503 nan 8.250 nan 0.000 0.442 680 L N 0.624 121.686 121.223 -0.269 0.000 2.056 680 L HA -0.144 4.196 4.340 0.001 0.000 0.207 680 L C 2.350 179.102 176.870 -0.196 0.000 1.078 680 L CA 0.984 55.655 54.840 -0.282 0.000 0.749 680 L CB -0.395 41.401 42.059 -0.438 0.000 0.901 680 L HN 0.203 nan 8.230 nan 0.000 0.433 681 I N -0.968 119.466 120.570 -0.226 0.000 2.163 681 I HA -0.324 3.847 4.170 0.001 0.000 0.240 681 I C 2.517 178.510 176.117 -0.208 0.000 1.081 681 I CA 1.347 62.485 61.300 -0.269 0.000 1.353 681 I CB -0.547 37.199 38.000 -0.422 0.000 1.054 681 I HN 0.486 nan 8.210 nan 0.000 0.407 682 W N 2.760 123.880 121.300 -0.300 0.000 2.305 682 W HA -0.275 4.386 4.660 0.002 0.000 0.308 682 W C 2.056 178.524 176.519 -0.085 0.000 1.226 682 W CA 2.135 59.409 57.345 -0.118 0.000 1.253 682 W CB -0.168 29.315 29.460 0.039 0.000 1.146 682 W HN 0.269 nan 8.180 nan 0.000 0.507 683 E N 0.075 120.265 120.200 -0.017 0.000 2.028 683 E HA -0.188 4.163 4.350 0.001 0.000 0.190 683 E C 2.473 178.973 176.600 -0.167 0.000 0.984 683 E CA 1.982 58.322 56.400 -0.102 0.000 0.800 683 E CB -0.540 29.156 29.700 -0.007 0.000 0.758 683 E HN 0.220 nan 8.360 nan 0.000 0.448 684 S N 0.883 116.495 115.700 -0.148 0.000 2.368 684 S HA -0.127 4.344 4.470 0.001 0.000 0.225 684 S C 2.241 176.739 174.600 -0.169 0.000 1.030 684 S CA 1.057 59.170 58.200 -0.145 0.000 0.999 684 S CB -0.499 62.622 63.200 -0.133 0.000 0.844 684 S HN 0.137 nan 8.310 nan 0.000 0.459 685 V N 1.489 121.281 119.914 -0.204 0.000 2.427 685 V HA -0.104 4.017 4.120 0.001 0.000 0.248 685 V C 2.729 178.682 176.094 -0.234 0.000 1.051 685 V CA 2.118 64.294 62.300 -0.206 0.000 1.048 685 V CB -0.726 30.967 31.823 -0.216 0.000 0.666 685 V HN 0.685 nan 8.190 nan 0.000 0.456 686 S N 0.210 115.721 115.700 -0.316 0.000 2.380 686 S HA -0.182 4.289 4.470 0.001 0.000 0.229 686 S C 1.576 176.032 174.600 -0.240 0.000 1.043 686 S CA 2.214 60.200 58.200 -0.357 0.000 1.038 686 S CB -0.458 62.460 63.200 -0.470 0.000 0.872 686 S HN 0.832 nan 8.310 nan 0.000 0.456 687 V N -0.724 119.076 119.914 -0.191 0.000 3.415 687 V HA 0.397 4.518 4.120 0.001 0.000 0.325 687 V C 0.950 176.966 176.094 -0.130 0.000 1.313 687 V CA 0.673 62.886 62.300 -0.144 0.000 1.228 687 V CB -0.332 31.421 31.823 -0.117 0.000 1.131 687 V HN 0.378 nan 8.190 nan 0.000 0.433 688 T N 0.246 114.714 114.554 -0.144 0.000 2.954 688 T HA 0.206 4.557 4.350 0.001 0.000 0.252 688 T C 0.827 175.447 174.700 -0.134 0.000 0.983 688 T CA 0.909 62.931 62.100 -0.130 0.000 0.941 688 T CB 0.981 69.771 68.868 -0.130 0.000 1.141 688 T HN 0.646 nan 8.240 nan 0.000 0.500 689 V N 0.224 120.048 119.914 -0.151 0.000 2.647 689 V HA 0.486 4.606 4.120 0.001 0.000 0.305 689 V C 1.251 177.241 176.094 -0.173 0.000 1.162 689 V CA -0.686 61.521 62.300 -0.155 0.000 1.248 689 V CB -0.490 31.240 31.823 -0.155 0.000 1.508 689 V HN 0.075 nan 8.190 nan 0.000 0.647 690 V N 1.495 121.316 119.914 -0.155 0.000 2.255 690 V HA -0.221 3.900 4.120 0.001 0.000 0.247 690 V C 2.977 178.978 176.094 -0.155 0.000 1.051 690 V CA 2.907 65.117 62.300 -0.150 0.000 1.018 690 V CB -0.933 30.817 31.823 -0.122 0.000 0.641 690 V HN 0.768 nan 8.190 nan 0.000 0.445 691 A N -0.130 122.602 122.820 -0.146 0.000 1.969 691 A HA -0.038 4.283 4.320 0.001 0.000 0.218 691 A C 2.374 179.830 177.584 -0.214 0.000 1.169 691 A CA 1.903 53.851 52.037 -0.149 0.000 0.635 691 A CB -0.701 18.227 19.000 -0.121 0.000 0.810 691 A HN 0.589 nan 8.150 nan 0.000 0.445 692 A N -0.623 122.035 122.820 -0.270 0.000 1.969 692 A HA 0.065 4.386 4.320 0.001 0.000 0.218 692 A C 2.167 179.409 177.584 -0.569 0.000 1.169 692 A CA 1.604 53.334 52.037 -0.511 0.000 0.635 692 A CB -0.672 18.075 19.000 -0.423 0.000 0.810 692 A HN 0.341 nan 8.150 nan 0.000 0.445 693 V N -0.082 119.632 119.914 -0.334 0.000 2.358 693 V HA -0.224 3.897 4.120 0.001 0.000 0.246 693 V C 2.491 178.474 176.094 -0.185 0.000 1.047 693 V CA 2.111 64.262 62.300 -0.249 0.000 1.035 693 V CB -0.581 31.125 31.823 -0.195 0.000 0.658 693 V HN 0.743 nan 8.190 nan 0.000 0.452 694 E N 0.227 120.334 120.200 -0.156 0.000 2.153 694 E HA -0.208 4.143 4.350 0.001 0.000 0.194 694 E C 2.236 178.809 176.600 -0.046 0.000 0.988 694 E CA 1.234 57.588 56.400 -0.078 0.000 0.811 694 E CB -0.111 29.547 29.700 -0.069 0.000 0.746 694 E HN 0.565 nan 8.360 nan 0.000 0.466 695 A N 0.994 123.723 122.820 -0.151 0.000 1.877 695 A HA -0.194 4.127 4.320 0.001 0.000 0.216 695 A C 2.195 179.777 177.584 -0.002 0.000 1.186 695 A CA 1.651 53.628 52.037 -0.100 0.000 0.620 695 A CB -0.474 18.376 19.000 -0.249 0.000 0.822 695 A HN 0.271 nan 8.150 nan 0.000 0.443 696 M N -0.698 118.795 119.600 -0.179 0.000 2.132 696 M HA -0.161 4.320 4.480 0.001 0.000 0.263 696 M C 1.844 178.162 176.300 0.031 0.000 1.065 696 M CA 1.786 57.061 55.300 -0.042 0.000 1.122 696 M CB -0.604 31.931 32.600 -0.109 0.000 1.365 696 M HN 0.534 nan 8.290 nan 0.000 0.411 697 N N -0.772 117.938 118.700 0.017 0.000 2.289 697 N HA -0.208 4.532 4.740 0.001 0.000 0.184 697 N C 1.370 176.927 175.510 0.077 0.000 1.016 697 N CA 0.988 54.059 53.050 0.035 0.000 0.872 697 N CB -0.114 38.387 38.487 0.023 0.000 0.973 697 N HN 0.403 nan 8.380 nan 0.000 0.433 698 W N 1.394 122.670 121.300 -0.040 0.000 2.418 698 W HA 0.064 4.725 4.660 0.001 0.000 0.292 698 W C 1.439 177.956 176.519 -0.003 0.000 1.213 698 W CA 0.713 58.053 57.345 -0.009 0.000 1.283 698 W CB -0.108 29.354 29.460 0.004 0.000 1.119 698 W HN -0.047 nan 8.180 nan 0.000 0.542 699 L N 0.549 121.854 121.223 0.136 0.000 2.072 699 L HA -0.137 4.203 4.340 0.001 0.000 0.205 699 L C 2.474 179.264 176.870 -0.134 0.000 1.079 699 L CA 1.380 56.199 54.840 -0.035 0.000 0.752 699 L CB -0.813 41.246 42.059 0.001 0.000 0.906 699 L HN -0.160 nan 8.230 nan 0.000 0.436 700 K N -0.261 120.095 120.400 -0.073 0.000 2.057 700 K HA -0.130 4.190 4.320 0.001 0.000 0.207 700 K C 2.305 178.820 176.600 -0.142 0.000 1.049 700 K CA 1.690 57.929 56.287 -0.081 0.000 0.931 700 K CB -0.183 32.291 32.500 -0.044 0.000 0.714 700 K HN 0.164 nan 8.250 nan 0.000 0.440 701 S N 1.036 116.629 115.700 -0.179 0.000 2.356 701 S HA -0.180 4.291 4.470 0.001 0.000 0.223 701 S C 2.189 176.593 174.600 -0.326 0.000 1.032 701 S CA 1.265 59.337 58.200 -0.213 0.000 1.005 701 S CB -0.367 62.712 63.200 -0.202 0.000 0.867 701 S HN 0.447 nan 8.310 nan 0.000 0.449 702 A N 1.857 124.349 122.820 -0.546 0.000 1.873 702 A HA -0.061 4.260 4.320 0.001 0.000 0.218 702 A C 2.393 179.632 177.584 -0.574 0.000 1.193 702 A CA 2.087 53.612 52.037 -0.854 0.000 0.629 702 A CB -1.289 16.889 19.000 -1.371 0.000 0.826 702 A HN 0.558 nan 8.150 nan 0.000 0.447 703 A N -0.743 121.879 122.820 -0.329 0.000 1.930 703 A HA -0.120 4.201 4.320 0.001 0.000 0.217 703 A C 2.138 179.660 177.584 -0.103 0.000 1.175 703 A CA 1.903 53.858 52.037 -0.137 0.000 0.627 703 A CB -0.428 18.560 19.000 -0.019 0.000 0.815 703 A HN 0.580 nan 8.150 nan 0.000 0.443 704 K N -0.105 120.219 120.400 -0.126 0.000 2.026 704 K HA -0.092 4.229 4.320 0.001 0.000 0.208 704 K C 1.836 178.387 176.600 -0.082 0.000 1.048 704 K CA 1.568 57.800 56.287 -0.092 0.000 0.929 704 K CB -0.326 32.116 32.500 -0.096 0.000 0.713 704 K HN 0.482 nan 8.250 nan 0.000 0.439 705 L N 0.942 122.096 121.223 -0.115 0.000 2.141 705 L HA -0.151 4.190 4.340 0.001 0.000 0.209 705 L C 2.414 179.247 176.870 -0.063 0.000 1.094 705 L CA 0.699 55.489 54.840 -0.084 0.000 0.763 705 L CB -0.294 41.708 42.059 -0.095 0.000 0.908 705 L HN 0.204 nan 8.230 nan 0.000 0.437 706 L N -0.249 120.918 121.223 -0.093 0.000 2.056 706 L HA -0.124 4.217 4.340 0.001 0.000 0.207 706 L C 2.712 179.583 176.870 0.002 0.000 1.078 706 L CA 1.072 55.888 54.840 -0.039 0.000 0.749 706 L CB -0.548 41.480 42.059 -0.051 0.000 0.901 706 L HN 0.214 nan 8.230 nan 0.000 0.433 707 A N -0.047 122.774 122.820 0.001 0.000 2.168 707 A HA 0.223 4.544 4.320 0.001 0.000 0.215 707 A C 1.285 178.875 177.584 0.009 0.000 1.152 707 A CA 0.623 52.673 52.037 0.022 0.000 0.716 707 A CB -0.561 18.459 19.000 0.032 0.000 0.794 707 A HN 0.295 nan 8.150 nan 0.000 0.465 708 A N 0.176 122.993 122.820 -0.005 0.000 2.425 708 A HA 0.431 4.752 4.320 0.001 0.000 0.249 708 A C 0.214 177.789 177.584 -0.015 0.000 1.084 708 A CA -0.266 51.765 52.037 -0.010 0.000 0.781 708 A CB 0.119 19.109 19.000 -0.016 0.000 1.019 708 A HN 0.499 nan 8.150 nan 0.000 0.490 709 E N 1.783 121.971 120.200 -0.019 0.000 2.231 709 E HA 0.422 4.773 4.350 0.001 0.000 0.277 709 E C -0.440 176.128 176.600 -0.052 0.000 0.999 709 E CA -0.580 55.801 56.400 -0.031 0.000 0.827 709 E CB 1.399 31.086 29.700 -0.021 0.000 1.101 709 E HN 0.514 nan 8.360 nan 0.000 0.393 710 V N 3.948 123.810 119.914 -0.087 0.000 3.237 710 V HA 0.206 4.326 4.120 0.001 0.000 0.305 710 V C -0.236 175.803 176.094 -0.091 0.000 1.096 710 V CA 0.438 62.656 62.300 -0.136 0.000 1.130 710 V CB 1.216 32.889 31.823 -0.250 0.000 1.048 710 V HN 0.719 nan 8.190 nan 0.000 0.484 711 K N 2.387 122.736 120.400 -0.086 0.000 2.527 711 K HA 0.450 4.771 4.320 0.001 0.000 0.260 711 K C -1.672 174.906 176.600 -0.036 0.000 0.937 711 K CA -0.675 55.584 56.287 -0.048 0.000 0.826 711 K CB 1.988 34.472 32.500 -0.027 0.000 1.359 711 K HN 0.825 nan 8.250 nan 0.000 0.434 712 D N 0.993 121.381 120.400 -0.021 0.000 2.450 712 D HA 0.186 4.827 4.640 0.001 0.000 0.238 712 D C -1.171 175.130 176.300 0.002 0.000 1.020 712 D CA -0.527 53.471 54.000 -0.003 0.000 1.010 712 D CB 1.556 42.355 40.800 -0.002 0.000 1.342 712 D HN 0.343 nan 8.370 nan 0.000 0.530 713 K N 1.782 122.187 120.400 0.009 0.000 2.163 713 K HA -0.021 4.300 4.320 0.001 0.000 0.267 713 K C 0.136 176.739 176.600 0.004 0.000 1.098 713 K CA 0.498 56.790 56.287 0.008 0.000 1.062 713 K CB -0.342 32.164 32.500 0.011 0.000 1.033 713 K HN 0.488 nan 8.250 nan 0.000 0.396 714 K N -0.108 120.293 120.400 0.002 0.000 3.517 714 K HA -0.196 4.125 4.320 0.001 0.000 0.320 714 K C -0.142 176.457 176.600 -0.001 0.000 0.769 714 K CA 2.075 58.362 56.287 0.000 0.000 1.397 714 K CB -1.538 30.963 32.500 0.001 0.000 1.376 714 K HN 0.576 nan 8.250 nan 0.000 0.456 715 T N 0.832 115.386 114.554 -0.000 0.000 2.870 715 T HA 0.278 4.629 4.350 0.001 0.000 0.300 715 T C 1.199 175.895 174.700 -0.006 0.000 0.989 715 T CA 0.359 62.459 62.100 -0.001 0.000 1.139 715 T CB 1.313 70.182 68.868 0.001 0.000 0.920 715 T HN 0.414 nan 8.240 nan 0.000 0.537 716 G N 1.976 110.771 108.800 -0.007 0.000 3.295 716 G HA2 0.078 4.039 3.960 0.001 0.000 0.231 716 G HA3 0.078 4.039 3.960 0.001 0.000 0.231 716 G C 0.327 175.219 174.900 -0.015 0.000 1.277 716 G CA -0.319 44.775 45.100 -0.011 0.000 1.013 716 G HN 0.665 nan 8.290 nan 0.000 0.509 717 E N 0.690 120.882 120.200 -0.014 0.000 2.498 717 E HA 0.056 4.407 4.350 0.001 0.000 0.252 717 E C 0.612 177.193 176.600 -0.031 0.000 1.025 717 E CA -0.017 56.374 56.400 -0.016 0.000 0.938 717 E CB 0.097 29.792 29.700 -0.008 0.000 0.947 717 E HN 0.319 nan 8.360 nan 0.000 0.478 718 I N 7.223 127.777 120.570 -0.027 0.000 2.204 718 I HA -0.005 4.165 4.170 0.001 0.000 0.291 718 I C 0.912 177.003 176.117 -0.043 0.000 1.153 718 I CA -0.119 61.158 61.300 -0.038 0.000 1.546 718 I CB -0.143 37.843 38.000 -0.024 0.000 1.490 718 I HN 0.572 nan 8.210 nan 0.000 0.697 719 L N 2.435 123.613 121.223 -0.076 0.000 2.083 719 L HA -0.013 4.328 4.340 0.001 0.000 0.209 719 L C 1.339 178.165 176.870 -0.073 0.000 1.083 719 L CA 1.344 56.138 54.840 -0.076 0.000 0.752 719 L CB -0.318 41.640 42.059 -0.168 0.000 0.899 719 L HN 0.520 nan 8.230 nan 0.000 0.433 720 R N -0.315 120.113 120.500 -0.121 0.000 2.561 720 R HA 0.309 4.650 4.340 0.001 0.000 0.266 720 R C -1.001 175.267 176.300 -0.053 0.000 1.091 720 R CA -0.606 55.456 56.100 -0.063 0.000 0.927 720 R CB 1.679 31.950 30.300 -0.049 0.000 1.240 720 R HN -0.100 nan 8.270 nan 0.000 0.449 721 K N 2.008 122.396 120.400 -0.020 0.000 2.362 721 K HA 0.385 4.706 4.320 0.001 0.000 0.245 721 K C -0.102 176.498 176.600 -0.001 0.000 1.040 721 K CA -0.727 55.553 56.287 -0.012 0.000 0.961 721 K CB 0.587 33.085 32.500 -0.002 0.000 1.252 721 K HN 0.400 nan 8.250 nan 0.000 0.503 722 R N 0.173 120.676 120.500 0.006 0.000 2.491 722 R HA 0.158 4.499 4.340 0.001 0.000 0.283 722 R C -0.573 175.748 176.300 0.035 0.000 1.072 722 R CA -0.337 55.774 56.100 0.018 0.000 1.048 722 R CB 0.331 30.643 30.300 0.020 0.000 0.983 722 R HN 0.432 nan 8.270 nan 0.000 0.450 723 C N 1.910 121.240 119.300 0.050 0.000 2.493 723 C HA 0.580 5.041 4.460 0.001 0.000 0.326 723 C C 0.542 175.598 174.990 0.111 0.000 1.200 723 C CA -0.714 58.351 59.018 0.079 0.000 1.739 723 C CB 1.438 29.229 27.740 0.086 0.000 2.300 723 C HN 0.862 nan 8.230 nan 0.000 0.500 724 A N 2.460 125.367 122.820 0.145 0.000 2.366 724 A HA 0.544 4.865 4.320 0.001 0.000 0.272 724 A C -0.190 177.573 177.584 0.298 0.000 1.135 724 A CA -0.115 52.044 52.037 0.203 0.000 0.804 724 A CB 0.186 19.314 19.000 0.212 0.000 1.064 724 A HN 0.771 nan 8.150 nan 0.000 0.499 725 V N 4.827 124.953 119.914 0.353 0.000 2.508 725 V HA 0.191 4.312 4.120 0.001 0.000 0.281 725 V C 0.482 176.962 176.094 0.644 0.000 1.041 725 V CA 0.120 62.723 62.300 0.505 0.000 1.016 725 V CB 0.378 32.527 31.823 0.543 0.000 0.984 725 V HN 0.942 nan 8.190 nan 0.000 0.478 726 H N 5.161 124.563 119.070 0.553 0.000 2.679 726 H HA 0.573 5.130 4.556 0.001 0.000 0.360 726 H C -1.452 174.217 175.328 0.570 0.000 1.105 726 H CA -0.775 55.437 56.048 0.274 0.000 1.196 726 H CB 2.093 31.849 29.762 -0.010 0.000 1.636 726 H HN 0.817 nan 8.280 nan 0.000 0.531 727 W N 3.439 124.341 121.300 -0.662 0.000 3.137 727 W HA 0.551 5.212 4.660 0.001 0.000 0.324 727 W C -2.301 173.861 176.519 -0.595 0.000 1.253 727 W CA -0.940 56.180 57.345 -0.374 0.000 1.183 727 W CB 0.407 29.964 29.460 0.162 0.000 1.424 727 W HN 0.271 nan 8.180 nan 0.000 0.566 728 V N 2.129 121.943 119.914 -0.167 0.000 2.495 728 V HA 0.487 4.608 4.120 0.001 0.000 0.298 728 V C 0.168 176.280 176.094 0.030 0.000 1.031 728 V CA -0.596 61.587 62.300 -0.195 0.000 0.871 728 V CB 1.186 32.941 31.823 -0.114 0.000 0.988 728 V HN 0.678 nan 8.190 nan 0.000 0.432 729 T N 5.787 120.343 114.554 0.004 0.000 2.899 729 T HA 0.228 4.579 4.350 0.001 0.000 0.295 729 T C -1.379 173.336 174.700 0.025 0.000 1.033 729 T CA -1.204 60.924 62.100 0.047 0.000 1.084 729 T CB 1.376 70.280 68.868 0.061 0.000 0.979 729 T HN 0.536 nan 8.240 nan 0.000 0.532 730 P HA -0.156 nan 4.420 nan 0.000 0.218 730 P C 0.901 178.191 177.300 -0.016 0.000 1.154 730 P CA 1.158 64.240 63.100 -0.030 0.000 0.872 730 P CB 0.034 31.676 31.700 -0.096 0.000 0.790 731 D N -1.971 118.421 120.400 -0.014 0.000 2.323 731 D HA 0.061 4.702 4.640 0.001 0.000 0.239 731 D C 1.236 177.551 176.300 0.026 0.000 1.129 731 D CA 0.600 54.597 54.000 -0.005 0.000 0.865 731 D CB -0.964 39.820 40.800 -0.026 0.000 0.913 731 D HN 0.290 nan 8.370 nan 0.000 0.517 732 G N 0.124 108.948 108.800 0.040 0.000 2.157 732 G HA2 -0.276 3.685 3.960 0.001 0.000 0.239 732 G HA3 -0.276 3.685 3.960 0.001 0.000 0.239 732 G C -0.166 174.774 174.900 0.066 0.000 0.982 732 G CA -0.056 45.072 45.100 0.047 0.000 0.650 732 G HN 0.431 nan 8.290 nan 0.000 0.527 733 F N 3.603 123.511 119.950 -0.070 0.000 2.445 733 F HA 0.598 5.126 4.527 0.001 0.000 0.359 733 F C -1.857 173.854 175.800 -0.148 0.000 1.101 733 F CA -2.372 55.586 58.000 -0.070 0.000 1.177 733 F CB 1.384 40.326 39.000 -0.097 0.000 1.110 733 F HN -0.004 nan 8.300 nan 0.000 0.522 734 P HA 0.271 nan 4.420 nan 0.000 0.294 734 P C -1.376 175.213 177.300 -1.185 0.000 1.294 734 P CA -0.389 62.160 63.100 -0.919 0.000 0.827 734 P CB 2.053 33.259 31.700 -0.823 0.000 0.992 735 V N 4.519 123.731 119.914 -1.170 0.000 2.577 735 V HA 0.564 4.685 4.120 0.001 0.000 0.303 735 V C -1.644 173.984 176.094 -0.776 0.000 1.042 735 V CA -0.727 61.095 62.300 -0.797 0.000 0.872 735 V CB 1.151 32.523 31.823 -0.752 0.000 0.998 735 V HN 0.467 nan 8.190 nan 0.000 0.423 736 W N 5.158 126.445 121.300 -0.021 0.000 2.376 736 W HA 0.466 5.127 4.660 0.001 0.000 0.312 736 W C -0.170 176.431 176.519 0.136 0.000 1.060 736 W CA -0.557 56.843 57.345 0.091 0.000 1.221 736 W CB 1.908 31.394 29.460 0.044 0.000 1.281 736 W HN 0.659 nan 8.180 nan 0.000 0.456 737 Q N 2.729 122.749 119.800 0.367 0.000 2.390 737 Q HA 0.175 4.516 4.340 0.001 0.000 0.249 737 Q C -0.413 175.571 176.000 -0.027 0.000 0.996 737 Q CA 0.279 56.154 55.803 0.119 0.000 0.899 737 Q CB 0.738 29.773 28.738 0.495 0.000 1.216 737 Q HN 0.468 nan 8.270 nan 0.000 0.465 738 E N 4.394 124.393 120.200 -0.335 0.000 3.568 738 E HA 0.111 4.462 4.350 0.001 0.000 0.213 738 E C -1.401 174.936 176.600 -0.439 0.000 1.197 738 E CA -0.391 55.869 56.400 -0.232 0.000 1.126 738 E CB 0.614 30.262 29.700 -0.088 0.000 1.285 738 E HN 0.594 nan 8.360 nan 0.000 0.418 739 Y N 1.611 121.769 120.300 -0.237 0.000 2.537 739 Y HA 0.091 4.642 4.550 0.001 0.000 0.339 739 Y C 0.674 176.488 175.900 -0.144 0.000 1.066 739 Y CA 0.256 58.216 58.100 -0.232 0.000 1.357 739 Y CB 0.370 38.761 38.460 -0.116 0.000 1.175 739 Y HN -0.042 nan 8.280 nan 0.000 0.525 740 K N 3.441 123.829 120.400 -0.021 0.000 2.156 740 K HA 0.343 4.664 4.320 0.001 0.000 0.254 740 K C -0.386 176.233 176.600 0.032 0.000 0.950 740 K CA -1.185 55.109 56.287 0.011 0.000 0.849 740 K CB 1.547 34.053 32.500 0.009 0.000 1.100 740 K HN 0.462 nan 8.250 nan 0.000 0.434 741 K N 2.773 123.191 120.400 0.030 0.000 2.436 741 K HA 0.063 4.384 4.320 0.001 0.000 0.282 741 K C -2.354 174.260 176.600 0.024 0.000 1.044 741 K CA -1.333 54.968 56.287 0.023 0.000 1.028 741 K CB -0.066 32.443 32.500 0.016 0.000 0.919 741 K HN 0.232 nan 8.250 nan 0.000 0.474 742 P HA 0.058 nan 4.420 nan 0.000 0.271 742 P C -0.510 176.801 177.300 0.019 0.000 1.233 742 P CA -0.007 63.108 63.100 0.025 0.000 0.764 742 P CB 0.263 31.975 31.700 0.020 0.000 0.825 743 I N -0.294 120.291 120.570 0.025 0.000 2.740 743 I HA 0.573 4.744 4.170 0.001 0.000 0.303 743 I C -0.652 175.479 176.117 0.022 0.000 1.044 743 I CA -1.256 60.056 61.300 0.019 0.000 1.064 743 I CB 2.225 40.236 38.000 0.019 0.000 1.249 743 I HN 0.139 nan 8.210 nan 0.000 0.433 744 Q N 2.454 122.264 119.800 0.016 0.000 2.333 744 Q HA 0.480 4.821 4.340 0.001 0.000 0.267 744 Q C -0.764 175.245 176.000 0.016 0.000 1.012 744 Q CA -0.671 55.143 55.803 0.018 0.000 0.824 744 Q CB 2.614 31.360 28.738 0.012 0.000 1.290 744 Q HN 0.796 nan 8.270 nan 0.000 0.449 745 T N 1.397 115.963 114.554 0.020 0.000 2.940 745 T HA 0.623 4.974 4.350 0.001 0.000 0.288 745 T C -0.909 173.801 174.700 0.016 0.000 1.045 745 T CA -0.566 61.544 62.100 0.018 0.000 1.018 745 T CB 0.999 69.880 68.868 0.021 0.000 1.151 745 T HN 0.480 nan 8.240 nan 0.000 0.529 746 R N 1.888 122.397 120.500 0.015 0.000 2.686 746 R HA 0.585 4.925 4.340 0.001 0.000 0.286 746 R C -0.853 175.455 176.300 0.013 0.000 0.969 746 R CA -0.792 55.315 56.100 0.011 0.000 0.898 746 R CB 1.801 32.107 30.300 0.010 0.000 1.183 746 R HN 0.499 nan 8.270 nan 0.000 0.456 747 L N 1.400 122.620 121.223 -0.005 0.000 2.399 747 L HA 0.393 4.734 4.340 0.001 0.000 0.265 747 L C 0.176 177.039 176.870 -0.012 0.000 1.089 747 L CA -0.724 54.103 54.840 -0.022 0.000 0.802 747 L CB 0.838 42.822 42.059 -0.126 0.000 1.180 747 L HN 0.482 nan 8.230 nan 0.000 0.454 748 N N 2.119 120.823 118.700 0.006 0.000 2.746 748 N HA 0.406 5.147 4.740 0.001 0.000 0.250 748 N C -1.593 173.935 175.510 0.030 0.000 1.146 748 N CA -0.257 52.809 53.050 0.026 0.000 0.828 748 N CB 0.348 38.862 38.487 0.045 0.000 1.158 748 N HN 0.412 nan 8.380 nan 0.000 0.519 749 L N 1.929 123.156 121.223 0.006 0.000 2.298 749 L HA 0.520 4.861 4.340 0.001 0.000 0.284 749 L C 0.384 177.261 176.870 0.011 0.000 1.013 749 L CA -0.868 53.981 54.840 0.014 0.000 0.824 749 L CB 1.436 43.485 42.059 -0.016 0.000 1.221 749 L HN 0.286 nan 8.230 nan 0.000 0.418 750 M N 4.541 124.149 119.600 0.013 0.000 2.821 750 M HA 0.179 4.660 4.480 0.001 0.000 0.305 750 M C -0.718 175.526 176.300 -0.093 0.000 1.466 750 M CA -0.198 55.083 55.300 -0.032 0.000 1.526 750 M CB -0.555 32.044 32.600 -0.002 0.000 1.321 750 M HN 0.312 nan 8.290 nan 0.000 0.492 751 F N 5.216 124.923 119.950 -0.404 0.000 2.472 751 F HA 0.257 4.785 4.527 0.002 0.000 0.364 751 F C 0.533 176.061 175.800 -0.453 0.000 1.090 751 F CA 0.193 57.894 58.000 -0.498 0.000 1.188 751 F CB 0.170 38.694 39.000 -0.793 0.000 1.105 751 F HN 0.569 nan 8.300 nan 0.000 0.536 752 L N 5.950 126.764 121.223 -0.681 0.000 3.858 752 L HA -0.314 4.027 4.340 0.001 0.000 0.425 752 L C 1.254 178.021 176.870 -0.172 0.000 1.177 752 L CA 0.759 55.346 54.840 -0.421 0.000 0.943 752 L CB -1.902 39.925 42.059 -0.387 0.000 1.861 752 L HN 1.135 nan 8.230 nan 0.000 0.985 753 G N -0.841 107.878 108.800 -0.135 0.000 2.233 753 G HA2 -0.341 3.619 3.960 0.001 0.000 0.270 753 G HA3 -0.341 3.619 3.960 0.001 0.000 0.270 753 G C 0.648 175.546 174.900 -0.003 0.000 1.011 753 G CA 1.046 46.117 45.100 -0.049 0.000 0.762 753 G HN 0.648 nan 8.290 nan 0.000 0.511 754 Q N -1.858 117.946 119.800 0.005 0.000 2.580 754 Q HA 0.433 4.774 4.340 0.001 0.000 0.239 754 Q C 0.862 177.003 176.000 0.235 0.000 0.873 754 Q CA 0.906 56.793 55.803 0.139 0.000 0.951 754 Q CB 0.653 29.545 28.738 0.256 0.000 1.172 754 Q HN 0.893 nan 8.270 nan 0.000 0.616 755 F N -1.622 118.388 119.950 0.099 0.000 2.692 755 F HA 0.613 5.141 4.527 0.002 0.000 0.320 755 F C -1.157 174.701 175.800 0.097 0.000 1.123 755 F CA -1.513 56.535 58.000 0.079 0.000 0.961 755 F CB 1.193 40.228 39.000 0.058 0.000 1.383 755 F HN -0.396 nan 8.300 nan 0.000 0.483 756 R N 1.962 122.599 120.500 0.229 0.000 2.280 756 R HA 0.444 4.785 4.340 0.001 0.000 0.326 756 R C -1.190 175.232 176.300 0.203 0.000 1.080 756 R CA -0.823 55.347 56.100 0.115 0.000 1.002 756 R CB 0.999 31.358 30.300 0.100 0.000 1.136 756 R HN 0.644 nan 8.270 nan 0.000 0.509 757 L N 3.279 124.558 121.223 0.094 0.000 2.456 757 L HA 0.026 4.367 4.340 0.001 0.000 0.277 757 L C -0.422 176.479 176.870 0.053 0.000 1.124 757 L CA 0.919 55.836 54.840 0.130 0.000 0.880 757 L CB 0.478 42.528 42.059 -0.016 0.000 1.192 757 L HN 0.537 nan 8.230 nan 0.000 0.463 758 Q N 7.404 127.237 119.800 0.056 0.000 2.700 758 Q HA 0.379 4.720 4.340 0.001 0.000 0.249 758 Q C -2.300 173.702 176.000 0.004 0.000 1.033 758 Q CA -1.761 54.055 55.803 0.022 0.000 0.804 758 Q CB 1.079 29.836 28.738 0.032 0.000 1.164 758 Q HN 0.505 nan 8.270 nan 0.000 0.500 759 P HA 0.092 nan 4.420 nan 0.000 0.286 759 P C -0.482 176.813 177.300 -0.009 0.000 1.269 759 P CA -0.271 62.819 63.100 -0.017 0.000 0.787 759 P CB 1.297 32.979 31.700 -0.029 0.000 0.920 760 T N 4.741 119.293 114.554 -0.004 0.000 2.851 760 T HA 0.465 4.816 4.350 0.001 0.000 0.298 760 T C 0.609 175.313 174.700 0.007 0.000 0.977 760 T CA 0.073 62.174 62.100 0.002 0.000 1.126 760 T CB -0.259 68.610 68.868 0.002 0.000 0.916 760 T HN 0.337 nan 8.240 nan 0.000 0.529 761 I N 0.171 120.750 120.570 0.014 0.000 2.865 761 I HA 0.582 4.753 4.170 0.001 0.000 0.302 761 I C -0.768 175.368 176.117 0.032 0.000 1.140 761 I CA -1.426 59.888 61.300 0.024 0.000 1.021 761 I CB 2.058 40.076 38.000 0.030 0.000 1.233 761 I HN 0.184 nan 8.210 nan 0.000 0.427 762 N N 3.398 122.122 118.700 0.040 0.000 2.415 762 N HA 0.176 4.916 4.740 0.001 0.000 0.250 762 N C -0.504 175.043 175.510 0.061 0.000 1.127 762 N CA -0.162 52.915 53.050 0.046 0.000 0.945 762 N CB 0.809 39.324 38.487 0.047 0.000 1.196 762 N HN 0.666 nan 8.380 nan 0.000 0.499 763 T N 1.735 116.323 114.554 0.056 0.000 2.891 763 T HA -0.024 4.326 4.350 0.001 0.000 0.296 763 T C 1.396 176.149 174.700 0.088 0.000 1.025 763 T CA 0.083 62.224 62.100 0.068 0.000 1.149 763 T CB 0.496 69.394 68.868 0.051 0.000 1.007 763 T HN 0.319 nan 8.240 nan 0.000 0.528 764 N N 1.104 119.874 118.700 0.116 0.000 2.424 764 N HA 0.019 4.760 4.740 0.001 0.000 0.178 764 N C 0.549 176.129 175.510 0.118 0.000 1.060 764 N CA 0.365 53.493 53.050 0.131 0.000 0.901 764 N CB 0.038 38.622 38.487 0.162 0.000 0.979 764 N HN 0.417 nan 8.380 nan 0.000 0.451 765 K N 1.949 122.423 120.400 0.123 0.000 2.368 765 K HA 0.054 4.375 4.320 0.001 0.000 0.282 765 K C -0.710 175.926 176.600 0.061 0.000 1.035 765 K CA -0.238 56.109 56.287 0.099 0.000 0.973 765 K CB 0.173 32.717 32.500 0.074 0.000 0.957 765 K HN -0.077 nan 8.250 nan 0.000 0.474 766 D N 1.131 121.557 120.400 0.043 0.000 2.362 766 D HA 0.095 4.736 4.640 0.001 0.000 0.238 766 D C 0.442 176.760 176.300 0.030 0.000 1.212 766 D CA 0.347 54.370 54.000 0.039 0.000 0.902 766 D CB 0.836 41.649 40.800 0.021 0.000 1.180 766 D HN 0.672 nan 8.370 nan 0.000 0.445 767 S N -0.512 115.206 115.700 0.030 0.000 4.019 767 S HA 0.282 4.753 4.470 0.001 0.000 0.199 767 S C -0.335 174.275 174.600 0.018 0.000 1.177 767 S CA -0.766 57.447 58.200 0.021 0.000 1.478 767 S CB 0.663 63.876 63.200 0.022 0.000 1.580 767 S HN 0.463 nan 8.310 nan 0.000 0.766 768 E N 0.230 120.441 120.200 0.018 0.000 2.191 768 E HA 0.526 4.877 4.350 0.001 0.000 0.274 768 E C -1.070 175.545 176.600 0.024 0.000 0.948 768 E CA -0.798 55.612 56.400 0.018 0.000 0.802 768 E CB 1.232 30.940 29.700 0.013 0.000 1.137 768 E HN 0.489 nan 8.360 nan 0.000 0.397 769 I N 3.188 123.775 120.570 0.028 0.000 2.598 769 I HA -0.075 4.096 4.170 0.001 0.000 0.284 769 I C 0.317 176.463 176.117 0.048 0.000 1.140 769 I CA 0.232 61.556 61.300 0.039 0.000 1.420 769 I CB 0.257 38.284 38.000 0.045 0.000 1.387 769 I HN 0.472 nan 8.210 nan 0.000 0.553 770 D N 6.299 126.737 120.400 0.064 0.000 2.383 770 D HA 0.186 4.827 4.640 0.001 0.000 0.245 770 D C 0.980 177.328 176.300 0.079 0.000 1.263 770 D CA 0.048 54.087 54.000 0.065 0.000 0.936 770 D CB 1.141 41.977 40.800 0.060 0.000 1.053 770 D HN 0.616 nan 8.370 nan 0.000 0.507 771 A N 4.587 127.446 122.820 0.066 0.000 1.940 771 A HA -0.242 4.079 4.320 0.001 0.000 0.219 771 A C 2.064 179.679 177.584 0.052 0.000 1.176 771 A CA 1.255 53.325 52.037 0.055 0.000 0.631 771 A CB -0.632 18.390 19.000 0.037 0.000 0.814 771 A HN 0.801 nan 8.150 nan 0.000 0.446 772 H N -0.152 118.906 119.070 -0.020 0.000 2.326 772 H HA -0.021 4.536 4.556 0.001 0.000 0.301 772 H C 1.940 177.232 175.328 -0.061 0.000 1.081 772 H CA 1.870 57.894 56.048 -0.039 0.000 1.334 772 H CB -0.062 29.669 29.762 -0.051 0.000 1.385 772 H HN 0.455 nan 8.280 nan 0.000 0.504 773 K N 0.135 120.571 120.400 0.060 0.000 2.097 773 K HA -0.122 4.199 4.320 0.001 0.000 0.206 773 K C 2.321 178.857 176.600 -0.107 0.000 1.049 773 K CA 0.868 57.068 56.287 -0.145 0.000 0.933 773 K CB 0.154 32.432 32.500 -0.370 0.000 0.717 773 K HN 0.356 nan 8.250 nan 0.000 0.442 774 Q N 0.492 120.336 119.800 0.072 0.000 2.096 774 Q HA -0.229 4.112 4.340 0.001 0.000 0.204 774 Q C 1.951 178.009 176.000 0.098 0.000 0.982 774 Q CA 1.492 57.405 55.803 0.184 0.000 0.850 774 Q CB -0.070 28.754 28.738 0.144 0.000 0.901 774 Q HN 0.469 nan 8.270 nan 0.000 0.422 775 E N 0.303 120.494 120.200 -0.015 0.000 2.076 775 E HA -0.111 4.240 4.350 0.001 0.000 0.190 775 E C 1.898 178.467 176.600 -0.052 0.000 0.979 775 E CA 1.216 57.578 56.400 -0.064 0.000 0.807 775 E CB 0.178 29.787 29.700 -0.152 0.000 0.761 775 E HN 0.322 nan 8.360 nan 0.000 0.454 776 S N -1.050 114.594 115.700 -0.093 0.000 2.522 776 S HA 0.055 4.526 4.470 0.001 0.000 0.227 776 S C 1.757 176.380 174.600 0.038 0.000 0.986 776 S CA 0.565 58.737 58.200 -0.047 0.000 0.929 776 S CB 0.556 63.715 63.200 -0.068 0.000 0.769 776 S HN 0.283 nan 8.310 nan 0.000 0.529 777 G N 0.652 109.496 108.800 0.074 0.000 2.939 777 G HA2 0.200 4.161 3.960 0.001 0.000 0.216 777 G HA3 0.200 4.161 3.960 0.001 0.000 0.216 777 G C 1.038 176.151 174.900 0.356 0.000 1.125 777 G CA 0.174 45.411 45.100 0.230 0.000 0.766 777 G HN 0.427 nan 8.290 nan 0.000 0.541 778 I N 2.059 122.785 120.570 0.259 0.000 2.226 778 I HA -0.018 4.153 4.170 0.001 0.000 0.245 778 I C 2.806 179.016 176.117 0.154 0.000 1.100 778 I CA 1.568 62.989 61.300 0.203 0.000 1.374 778 I CB -0.207 37.839 38.000 0.077 0.000 1.057 778 I HN 0.141 nan 8.210 nan 0.000 0.413 779 A N 1.528 124.454 122.820 0.177 0.000 1.855 779 A HA -0.051 4.269 4.320 0.001 0.000 0.215 779 A C 0.137 177.915 177.584 0.324 0.000 1.191 779 A CA 1.931 54.119 52.037 0.252 0.000 0.613 779 A CB -2.259 16.895 19.000 0.257 0.000 0.829 779 A HN 0.441 nan 8.150 nan 0.000 0.442 780 P HA -0.150 nan 4.420 nan 0.000 0.215 780 P C 0.684 178.161 177.300 0.296 0.000 1.157 780 P CA 1.588 64.885 63.100 0.328 0.000 0.863 780 P CB -0.441 31.445 31.700 0.309 0.000 0.787 781 N N -1.291 117.626 118.700 0.361 0.000 2.289 781 N HA -0.135 4.606 4.740 0.001 0.000 0.184 781 N C 1.645 177.339 175.510 0.307 0.000 1.016 781 N CA 0.412 53.659 53.050 0.328 0.000 0.872 781 N CB -0.558 38.219 38.487 0.484 0.000 0.973 781 N HN 0.053 nan 8.380 nan 0.000 0.433 782 F N 1.653 121.612 119.950 0.015 0.000 2.128 782 F HA -0.110 4.418 4.527 0.001 0.000 0.295 782 F C 2.208 177.916 175.800 -0.153 0.000 1.100 782 F CA 0.850 58.700 58.000 -0.250 0.000 1.260 782 F CB -0.393 38.233 39.000 -0.624 0.000 1.009 782 F HN -0.143 nan 8.300 nan 0.000 0.476 783 V N -2.082 117.768 119.914 -0.107 0.000 2.515 783 V HA -0.227 3.894 4.120 0.001 0.000 0.250 783 V C 2.070 177.968 176.094 -0.327 0.000 1.058 783 V CA 2.221 64.322 62.300 -0.333 0.000 1.064 783 V CB -1.536 30.020 31.823 -0.445 0.000 0.675 783 V HN 0.410 nan 8.190 nan 0.000 0.461 784 H N 1.994 120.992 119.070 -0.119 0.000 2.389 784 H HA -0.084 4.473 4.556 0.001 0.000 0.299 784 H C 2.664 177.879 175.328 -0.188 0.000 1.081 784 H CA 1.950 57.902 56.048 -0.161 0.000 1.345 784 H CB -0.050 29.608 29.762 -0.173 0.000 1.393 784 H HN 0.684 nan 8.280 nan 0.000 0.520 785 S N 0.131 115.803 115.700 -0.046 0.000 2.402 785 S HA -0.190 4.281 4.470 0.001 0.000 0.229 785 S C 2.107 176.618 174.600 -0.148 0.000 1.021 785 S CA 1.108 59.261 58.200 -0.079 0.000 0.974 785 S CB 0.023 63.271 63.200 0.079 0.000 0.800 785 S HN 0.256 nan 8.310 nan 0.000 0.484 786 Q N 2.466 122.109 119.800 -0.262 0.000 2.049 786 Q HA -0.085 4.256 4.340 0.001 0.000 0.198 786 Q C 1.810 177.652 176.000 -0.263 0.000 0.971 786 Q CA 2.023 57.647 55.803 -0.297 0.000 0.833 786 Q CB -0.451 28.049 28.738 -0.397 0.000 0.896 786 Q HN 0.878 nan 8.270 nan 0.000 0.434 787 D N -2.065 118.077 120.400 -0.431 0.000 2.317 787 D HA -0.063 4.578 4.640 0.001 0.000 0.211 787 D C 1.605 177.910 176.300 0.009 0.000 0.966 787 D CA 1.043 54.867 54.000 -0.293 0.000 0.876 787 D CB -0.308 40.286 40.800 -0.342 0.000 0.927 787 D HN 0.342 nan 8.370 nan 0.000 0.519 788 G N 1.415 110.169 108.800 -0.077 0.000 2.402 788 G HA2 -0.280 3.680 3.960 0.001 0.000 0.216 788 G HA3 -0.280 3.680 3.960 0.001 0.000 0.216 788 G C 1.837 176.671 174.900 -0.110 0.000 1.162 788 G CA 1.454 46.490 45.100 -0.108 0.000 0.777 788 G HN 0.471 nan 8.290 nan 0.000 0.539 789 S N -0.317 115.328 115.700 -0.091 0.000 2.371 789 S HA -0.165 4.305 4.470 0.001 0.000 0.224 789 S C 2.094 176.688 174.600 -0.010 0.000 1.029 789 S CA 1.480 59.632 58.200 -0.079 0.000 0.978 789 S CB -0.862 62.298 63.200 -0.066 0.000 0.833 789 S HN 0.571 nan 8.310 nan 0.000 0.466 790 H N 1.332 120.398 119.070 -0.008 0.000 2.387 790 H HA -0.058 4.498 4.556 0.001 0.000 0.299 790 H C 2.163 177.559 175.328 0.114 0.000 1.099 790 H CA 1.703 57.788 56.048 0.062 0.000 1.315 790 H CB -0.292 29.606 29.762 0.227 0.000 1.380 790 H HN 0.524 nan 8.280 nan 0.000 0.513 791 L N 0.663 121.943 121.223 0.095 0.000 2.027 791 L HA -0.127 4.214 4.340 0.001 0.000 0.206 791 L C 2.873 179.730 176.870 -0.022 0.000 1.074 791 L CA 1.184 56.127 54.840 0.171 0.000 0.745 791 L CB -0.248 41.864 42.059 0.087 0.000 0.898 791 L HN 0.125 nan 8.230 nan 0.000 0.433 792 R N -0.184 120.249 120.500 -0.110 0.000 2.092 792 R HA -0.135 4.206 4.340 0.001 0.000 0.231 792 R C 2.268 178.486 176.300 -0.136 0.000 1.119 792 R CA 1.515 57.515 56.100 -0.166 0.000 0.970 792 R CB -0.218 29.967 30.300 -0.192 0.000 0.864 792 R HN 0.400 nan 8.270 nan 0.000 0.440 793 K N -0.279 120.053 120.400 -0.113 0.000 2.211 793 K HA -0.044 4.277 4.320 0.001 0.000 0.203 793 K C 1.973 178.539 176.600 -0.057 0.000 1.050 793 K CA 1.440 57.680 56.287 -0.078 0.000 0.945 793 K CB 0.024 32.470 32.500 -0.090 0.000 0.732 793 K HN 0.154 nan 8.250 nan 0.000 0.451 794 T N 1.148 115.611 114.554 -0.152 0.000 2.737 794 T HA -0.110 4.240 4.350 0.001 0.000 0.265 794 T C 2.083 176.782 174.700 -0.002 0.000 1.038 794 T CA 1.225 63.248 62.100 -0.128 0.000 1.144 794 T CB -0.272 68.382 68.868 -0.357 0.000 0.866 794 T HN -0.072 nan 8.240 nan 0.000 0.434 795 V N 1.506 121.321 119.914 -0.165 0.000 2.252 795 V HA -0.194 3.926 4.120 0.001 0.000 0.249 795 V C 2.715 178.716 176.094 -0.156 0.000 1.056 795 V CA 1.583 63.582 62.300 -0.501 0.000 1.022 795 V CB -0.957 30.421 31.823 -0.742 0.000 0.641 795 V HN 0.310 nan 8.190 nan 0.000 0.445 796 V N -0.857 119.026 119.914 -0.052 0.000 2.255 796 V HA -0.317 3.804 4.120 0.001 0.000 0.247 796 V C 2.111 178.335 176.094 0.216 0.000 1.051 796 V CA 2.573 64.919 62.300 0.077 0.000 1.018 796 V CB -0.771 31.090 31.823 0.063 0.000 0.641 796 V HN 0.798 nan 8.190 nan 0.000 0.445 797 W N 0.546 121.875 121.300 0.049 0.000 2.402 797 W HA -0.131 4.530 4.660 0.001 0.000 0.286 797 W C 2.297 178.954 176.519 0.230 0.000 1.221 797 W CA 1.505 58.908 57.345 0.096 0.000 1.257 797 W CB 0.002 29.495 29.460 0.055 0.000 1.120 797 W HN 0.316 nan 8.180 nan 0.000 0.551 798 A N -0.786 122.221 122.820 0.312 0.000 1.970 798 A HA -0.223 4.098 4.320 0.001 0.000 0.216 798 A C 1.630 179.419 177.584 0.341 0.000 1.170 798 A CA 1.791 54.037 52.037 0.349 0.000 0.645 798 A CB -1.150 18.123 19.000 0.454 0.000 0.816 798 A HN 0.508 nan 8.150 nan 0.000 0.447 799 H N -0.514 118.720 119.070 0.274 0.000 2.436 799 H HA 0.092 4.649 4.556 0.001 0.000 0.294 799 H C 1.889 177.244 175.328 0.045 0.000 1.048 799 H CA 1.774 57.943 56.048 0.203 0.000 1.353 799 H CB 0.161 30.047 29.762 0.207 0.000 1.414 799 H HN 0.566 nan 8.280 nan 0.000 0.536 800 E N -0.105 120.101 120.200 0.010 0.000 2.075 800 E HA -0.048 4.303 4.350 0.001 0.000 0.190 800 E C 1.896 178.298 176.600 -0.329 0.000 0.969 800 E CA 0.268 56.595 56.400 -0.121 0.000 0.815 800 E CB 0.213 29.902 29.700 -0.018 0.000 0.776 800 E HN 0.253 nan 8.360 nan 0.000 0.457 801 K N -0.025 120.014 120.400 -0.602 0.000 2.167 801 K HA -0.003 4.318 4.320 0.001 0.000 0.203 801 K C -0.063 176.006 176.600 -0.885 0.000 1.052 801 K CA 0.690 56.413 56.287 -0.940 0.000 0.956 801 K CB 0.341 31.813 32.500 -1.714 0.000 0.735 801 K HN -0.016 nan 8.250 nan 0.000 0.451 802 Y N -1.650 118.444 120.300 -0.343 0.000 2.621 802 Y HA 0.375 4.926 4.550 0.001 0.000 0.334 802 Y C 1.224 177.000 175.900 -0.207 0.000 1.074 802 Y CA -0.975 56.990 58.100 -0.226 0.000 1.149 802 Y CB 1.214 39.565 38.460 -0.183 0.000 1.302 802 Y HN -0.116 nan 8.280 nan 0.000 0.501 803 G N 0.896 109.691 108.800 -0.008 0.000 3.327 803 G HA2 0.167 4.128 3.960 0.001 0.000 0.240 803 G HA3 0.167 4.128 3.960 0.001 0.000 0.240 803 G C 0.093 174.938 174.900 -0.092 0.000 1.222 803 G CA -0.177 44.867 45.100 -0.093 0.000 0.871 803 G HN 0.439 nan 8.290 nan 0.000 0.525 804 I N 0.650 121.183 120.570 -0.061 0.000 2.587 804 I HA 0.073 4.243 4.170 0.001 0.000 0.284 804 I C 0.873 176.979 176.117 -0.018 0.000 1.134 804 I CA 0.326 61.545 61.300 -0.135 0.000 1.410 804 I CB 0.965 38.822 38.000 -0.239 0.000 1.392 804 I HN 0.246 nan 8.210 nan 0.000 0.545 805 E N 2.770 122.934 120.200 -0.062 0.000 2.399 805 E HA 0.102 4.452 4.350 0.001 0.000 0.205 805 E C 0.033 176.667 176.600 0.058 0.000 0.906 805 E CA 0.098 56.586 56.400 0.147 0.000 0.998 805 E CB 0.625 30.387 29.700 0.102 0.000 1.002 805 E HN 0.546 nan 8.360 nan 0.000 0.501 806 S N 0.655 116.217 115.700 -0.231 0.000 2.489 806 S HA 0.526 4.996 4.470 0.001 0.000 0.291 806 S C -0.788 173.515 174.600 -0.496 0.000 1.151 806 S CA -0.485 57.558 58.200 -0.261 0.000 1.082 806 S CB 0.621 63.624 63.200 -0.329 0.000 1.019 806 S HN 0.028 nan 8.310 nan 0.000 0.492 807 F N 0.914 120.821 119.950 -0.072 0.000 2.578 807 F HA 0.636 5.164 4.527 0.001 0.000 0.311 807 F C 0.028 175.867 175.800 0.066 0.000 1.094 807 F CA -0.862 57.135 58.000 -0.005 0.000 0.923 807 F CB 1.724 40.736 39.000 0.020 0.000 1.230 807 F HN 0.600 nan 8.300 nan 0.000 0.450 808 A N 4.714 127.693 122.820 0.264 0.000 2.328 808 A HA 0.804 5.125 4.320 0.001 0.000 0.318 808 A C -1.332 176.347 177.584 0.158 0.000 1.347 808 A CA -0.467 51.770 52.037 0.333 0.000 0.842 808 A CB 0.147 19.317 19.000 0.284 0.000 1.148 808 A HN 0.742 nan 8.150 nan 0.000 0.499 809 L N 3.436 124.695 121.223 0.059 0.000 2.319 809 L HA 0.543 4.883 4.340 0.001 0.000 0.281 809 L C -0.469 176.225 176.870 -0.293 0.000 1.005 809 L CA -0.172 54.562 54.840 -0.178 0.000 0.828 809 L CB 1.517 43.423 42.059 -0.255 0.000 1.227 809 L HN 0.632 nan 8.230 nan 0.000 0.415 810 I N 2.842 123.203 120.570 -0.348 0.000 2.976 810 I HA 0.250 4.421 4.170 0.001 0.000 0.328 810 I C 0.237 176.179 176.117 -0.293 0.000 1.396 810 I CA -0.212 60.881 61.300 -0.344 0.000 0.869 810 I CB -0.182 37.736 38.000 -0.137 0.000 2.156 810 I HN 0.791 nan 8.210 nan 0.000 0.595 811 H N 0.734 119.615 119.070 -0.314 0.000 4.919 811 H HA -0.271 4.286 4.556 0.001 0.000 0.068 811 H C 1.088 176.279 175.328 -0.228 0.000 0.578 811 H CA 2.134 58.020 56.048 -0.270 0.000 1.013 811 H CB -0.838 28.792 29.762 -0.220 0.000 0.454 811 H HN 0.706 nan 8.280 nan 0.000 0.774 812 D N 0.219 120.562 120.400 -0.094 0.000 2.539 812 D HA 0.273 4.914 4.640 0.001 0.000 0.232 812 D C -0.040 176.190 176.300 -0.117 0.000 1.256 812 D CA 0.645 54.636 54.000 -0.016 0.000 0.810 812 D CB 0.379 41.294 40.800 0.191 0.000 1.090 812 D HN 0.262 nan 8.370 nan 0.000 0.519 813 S N -0.065 115.431 115.700 -0.341 0.000 2.472 813 S HA 0.650 5.121 4.470 0.001 0.000 0.303 813 S C -1.473 172.863 174.600 -0.440 0.000 1.099 813 S CA -0.581 57.512 58.200 -0.179 0.000 1.077 813 S CB 0.401 63.570 63.200 -0.052 0.000 1.031 813 S HN 0.077 nan 8.310 nan 0.000 0.487 814 F N 2.489 122.540 119.950 0.169 0.000 2.460 814 F HA 0.625 5.153 4.527 0.002 0.000 0.341 814 F C 0.757 176.643 175.800 0.144 0.000 1.130 814 F CA -0.637 57.474 58.000 0.186 0.000 0.962 814 F CB 2.064 41.208 39.000 0.241 0.000 1.171 814 F HN 0.669 nan 8.300 nan 0.000 0.436 815 G N 1.499 110.428 108.800 0.215 0.000 2.566 815 G HA2 0.697 4.658 3.960 0.001 0.000 0.311 815 G HA3 0.697 4.658 3.960 0.001 0.000 0.311 815 G C -1.098 173.792 174.900 -0.016 0.000 1.322 815 G CA -0.549 44.578 45.100 0.044 0.000 0.969 815 G HN 0.537 nan 8.290 nan 0.000 0.490 816 T N 0.828 115.316 114.554 -0.110 0.000 2.754 816 T HA 0.485 4.836 4.350 0.001 0.000 0.296 816 T C 0.360 174.945 174.700 -0.191 0.000 1.205 816 T CA -0.575 61.402 62.100 -0.205 0.000 1.009 816 T CB 1.187 69.910 68.868 -0.241 0.000 1.368 816 T HN 0.767 nan 8.240 nan 0.000 0.509 817 I N 0.076 120.526 120.570 -0.199 0.000 2.754 817 I HA 0.256 4.427 4.170 0.001 0.000 0.285 817 I C -1.911 174.162 176.117 -0.074 0.000 1.166 817 I CA -1.747 59.466 61.300 -0.144 0.000 1.417 817 I CB 0.035 37.948 38.000 -0.145 0.000 1.382 817 I HN 0.332 nan 8.210 nan 0.000 0.588 818 P HA -0.268 nan 4.420 nan 0.000 0.216 818 P C 1.523 178.880 177.300 0.095 0.000 1.154 818 P CA 2.394 65.540 63.100 0.078 0.000 0.865 818 P CB 0.084 31.859 31.700 0.125 0.000 0.789 819 A N -0.224 122.623 122.820 0.046 0.000 1.883 819 A HA -0.214 4.106 4.320 0.001 0.000 0.217 819 A C 1.870 179.457 177.584 0.006 0.000 1.186 819 A CA 2.162 54.224 52.037 0.040 0.000 0.624 819 A CB -1.319 17.685 19.000 0.008 0.000 0.822 819 A HN 0.123 nan 8.150 nan 0.000 0.444 820 D N -0.348 120.024 120.400 -0.047 0.000 2.347 820 D HA 0.218 4.859 4.640 0.001 0.000 0.213 820 D C 2.026 178.259 176.300 -0.112 0.000 0.985 820 D CA 0.859 54.801 54.000 -0.097 0.000 0.879 820 D CB -0.232 40.479 40.800 -0.149 0.000 0.919 820 D HN 0.413 nan 8.370 nan 0.000 0.526 821 A N 1.623 124.411 122.820 -0.052 0.000 1.884 821 A HA -0.222 4.099 4.320 0.001 0.000 0.219 821 A C 2.375 179.785 177.584 -0.291 0.000 1.197 821 A CA 2.477 54.507 52.037 -0.012 0.000 0.637 821 A CB -0.864 18.188 19.000 0.087 0.000 0.827 821 A HN 0.257 nan 8.150 nan 0.000 0.450 822 A N -0.012 122.569 122.820 -0.398 0.000 1.892 822 A HA -0.299 4.022 4.320 0.001 0.000 0.218 822 A C 1.933 179.297 177.584 -0.367 0.000 1.188 822 A CA 2.052 53.749 52.037 -0.565 0.000 0.631 822 A CB -1.042 17.873 19.000 -0.141 0.000 0.822 822 A HN 0.772 nan 8.150 nan 0.000 0.447 823 N N -0.824 117.684 118.700 -0.320 0.000 2.142 823 N HA -0.117 4.624 4.740 0.001 0.000 0.186 823 N C 1.697 176.900 175.510 -0.512 0.000 1.023 823 N CA 1.167 53.900 53.050 -0.529 0.000 0.852 823 N CB -0.210 37.887 38.487 -0.649 0.000 0.998 823 N HN 0.396 nan 8.380 nan 0.000 0.424 824 L N 0.673 121.708 121.223 -0.313 0.000 1.994 824 L HA -0.101 4.240 4.340 0.001 0.000 0.208 824 L C 1.919 178.647 176.870 -0.237 0.000 1.071 824 L CA 1.459 56.194 54.840 -0.174 0.000 0.745 824 L CB -0.786 41.287 42.059 0.023 0.000 0.892 824 L HN 0.118 nan 8.230 nan 0.000 0.431 825 F N 0.318 119.909 119.950 -0.599 0.000 2.184 825 F HA -0.314 4.214 4.527 0.001 0.000 0.301 825 F C 2.496 178.025 175.800 -0.451 0.000 1.076 825 F CA 2.319 59.821 58.000 -0.829 0.000 1.295 825 F CB -0.099 38.142 39.000 -1.265 0.000 1.026 825 F HN 0.150 nan 8.300 nan 0.000 0.494 826 K N -0.249 119.996 120.400 -0.259 0.000 2.211 826 K HA 0.080 4.401 4.320 0.001 0.000 0.201 826 K C 2.187 178.705 176.600 -0.136 0.000 1.052 826 K CA 0.769 56.946 56.287 -0.183 0.000 0.973 826 K CB -0.167 32.277 32.500 -0.092 0.000 0.766 826 K HN 0.246 nan 8.250 nan 0.000 0.466 827 A N 1.235 123.957 122.820 -0.163 0.000 1.898 827 A HA -0.105 4.216 4.320 0.001 0.000 0.216 827 A C 2.168 179.729 177.584 -0.038 0.000 1.181 827 A CA 1.723 53.785 52.037 0.042 0.000 0.620 827 A CB -0.819 18.191 19.000 0.017 0.000 0.819 827 A HN 0.228 nan 8.150 nan 0.000 0.442 828 V N -1.481 118.298 119.914 -0.226 0.000 2.469 828 V HA -0.265 3.856 4.120 0.001 0.000 0.251 828 V C 2.343 178.356 176.094 -0.135 0.000 1.064 828 V CA 1.918 64.020 62.300 -0.330 0.000 1.066 828 V CB -1.128 30.409 31.823 -0.477 0.000 0.667 828 V HN 0.476 nan 8.190 nan 0.000 0.461 829 R N 1.015 121.414 120.500 -0.167 0.000 2.057 829 R HA -0.003 4.338 4.340 0.001 0.000 0.229 829 R C 2.216 178.460 176.300 -0.092 0.000 1.136 829 R CA 1.604 57.626 56.100 -0.131 0.000 0.952 829 R CB -0.988 29.203 30.300 -0.182 0.000 0.848 829 R HN 0.658 nan 8.270 nan 0.000 0.430 830 E N 0.452 120.597 120.200 -0.092 0.000 2.070 830 E HA -0.203 4.147 4.350 0.001 0.000 0.197 830 E C 1.899 178.338 176.600 -0.267 0.000 1.004 830 E CA 1.934 58.246 56.400 -0.146 0.000 0.805 830 E CB -0.265 29.398 29.700 -0.063 0.000 0.744 830 E HN 0.276 nan 8.360 nan 0.000 0.451 831 T N 0.103 114.499 114.554 -0.263 0.000 2.915 831 T HA -0.130 4.221 4.350 0.001 0.000 0.269 831 T C 1.715 176.377 174.700 -0.064 0.000 1.071 831 T CA 1.174 63.119 62.100 -0.259 0.000 1.132 831 T CB -0.050 68.680 68.868 -0.229 0.000 0.878 831 T HN 0.120 nan 8.240 nan 0.000 0.479 832 M N -0.151 119.489 119.600 0.067 0.000 2.216 832 M HA 0.036 4.517 4.480 0.001 0.000 0.264 832 M C 2.134 178.460 176.300 0.043 0.000 1.080 832 M CA 1.190 56.560 55.300 0.116 0.000 1.153 832 M CB -0.077 32.529 32.600 0.009 0.000 1.356 832 M HN 0.088 nan 8.290 nan 0.000 0.432 833 V N 1.065 120.970 119.914 -0.014 0.000 2.324 833 V HA -0.321 3.799 4.120 0.001 0.000 0.250 833 V C 1.985 178.052 176.094 -0.046 0.000 1.060 833 V CA 2.399 64.686 62.300 -0.021 0.000 1.042 833 V CB -1.042 30.747 31.823 -0.057 0.000 0.650 833 V HN 0.571 nan 8.190 nan 0.000 0.450 834 D N 0.200 120.527 120.400 -0.121 0.000 2.117 834 D HA -0.164 4.477 4.640 0.001 0.000 0.197 834 D C 2.341 178.557 176.300 -0.139 0.000 0.987 834 D CA 1.957 55.861 54.000 -0.160 0.000 0.829 834 D CB -0.182 40.450 40.800 -0.279 0.000 0.961 834 D HN 0.613 nan 8.370 nan 0.000 0.460 835 T N -2.111 112.340 114.554 -0.172 0.000 2.737 835 T HA -0.204 4.146 4.350 0.001 0.000 0.265 835 T C 1.926 176.448 174.700 -0.296 0.000 1.038 835 T CA 1.137 63.073 62.100 -0.273 0.000 1.144 835 T CB -0.974 67.642 68.868 -0.419 0.000 0.866 835 T HN 0.164 nan 8.240 nan 0.000 0.434 836 Y N 1.779 122.056 120.300 -0.039 0.000 2.516 836 Y HA 0.275 4.826 4.550 0.001 0.000 0.291 836 Y C 2.572 178.450 175.900 -0.036 0.000 1.131 836 Y CA 0.077 58.156 58.100 -0.035 0.000 1.281 836 Y CB -0.297 38.131 38.460 -0.052 0.000 1.013 836 Y HN 0.391 nan 8.280 nan 0.000 0.554 837 E N -0.444 119.790 120.200 0.057 0.000 2.086 837 E HA -0.124 4.227 4.350 0.001 0.000 0.190 837 E C 2.300 178.901 176.600 0.002 0.000 0.975 837 E CA 1.207 57.619 56.400 0.020 0.000 0.813 837 E CB -0.003 29.691 29.700 -0.011 0.000 0.768 837 E HN 0.452 nan 8.360 nan 0.000 0.457 838 S N 0.245 115.930 115.700 -0.024 0.000 2.368 838 S HA -0.087 4.384 4.470 0.001 0.000 0.224 838 S C 1.183 175.780 174.600 -0.006 0.000 1.029 838 S CA 0.617 58.802 58.200 -0.025 0.000 0.988 838 S CB -0.506 62.665 63.200 -0.048 0.000 0.838 838 S HN 0.382 nan 8.310 nan 0.000 0.462 839 C N 0.361 119.658 119.300 -0.003 0.000 2.880 839 C HA 0.720 5.181 4.460 0.001 0.000 0.320 839 C C -1.160 173.866 174.990 0.060 0.000 1.176 839 C CA -1.400 57.633 59.018 0.024 0.000 1.390 839 C CB 1.201 28.954 27.740 0.021 0.000 1.846 839 C HN 0.331 nan 8.230 nan 0.000 0.478 840 D N 1.926 122.373 120.400 0.079 0.000 2.365 840 D HA 0.257 4.898 4.640 0.001 0.000 0.237 840 D C 1.373 177.763 176.300 0.150 0.000 1.190 840 D CA -0.098 53.967 54.000 0.107 0.000 0.867 840 D CB 1.664 42.499 40.800 0.059 0.000 1.050 840 D HN 0.744 nan 8.370 nan 0.000 0.491 841 V N 2.787 122.828 119.914 0.210 0.000 2.490 841 V HA -0.186 3.935 4.120 0.001 0.000 0.250 841 V C 2.072 178.406 176.094 0.401 0.000 1.061 841 V CA 0.906 63.387 62.300 0.301 0.000 1.064 841 V CB -0.652 31.364 31.823 0.322 0.000 0.670 841 V HN 0.387 nan 8.190 nan 0.000 0.461 842 L N 0.996 122.378 121.223 0.265 0.000 2.156 842 L HA 0.172 4.513 4.340 0.001 0.000 0.208 842 L C 2.827 179.798 176.870 0.167 0.000 1.095 842 L CA 2.008 56.939 54.840 0.151 0.000 0.770 842 L CB -1.085 40.848 42.059 -0.211 0.000 0.914 842 L HN 0.369 nan 8.230 nan 0.000 0.439 843 A N -0.687 122.198 122.820 0.108 0.000 1.897 843 A HA -0.173 4.147 4.320 0.001 0.000 0.215 843 A C 1.991 179.711 177.584 0.226 0.000 1.181 843 A CA 1.670 53.779 52.037 0.121 0.000 0.620 843 A CB -0.526 18.506 19.000 0.052 0.000 0.821 843 A HN 0.366 nan 8.150 nan 0.000 0.443 844 D N -0.846 119.696 120.400 0.238 0.000 2.117 844 D HA -0.137 4.503 4.640 0.001 0.000 0.197 844 D C 1.597 178.100 176.300 0.338 0.000 0.987 844 D CA 1.227 55.375 54.000 0.246 0.000 0.829 844 D CB -0.486 40.455 40.800 0.235 0.000 0.961 844 D HN 0.434 nan 8.370 nan 0.000 0.460 845 F N 0.664 120.796 119.950 0.303 0.000 2.171 845 F HA -0.202 4.326 4.527 0.001 0.000 0.300 845 F C 2.233 178.211 175.800 0.296 0.000 1.090 845 F CA 0.878 59.109 58.000 0.384 0.000 1.293 845 F CB -0.780 38.468 39.000 0.413 0.000 1.013 845 F HN -0.033 nan 8.300 nan 0.000 0.486 846 Y N 1.145 121.440 120.300 -0.008 0.000 2.181 846 Y HA -0.227 4.324 4.550 0.001 0.000 0.288 846 Y C 2.088 177.613 175.900 -0.625 0.000 1.146 846 Y CA 2.073 59.838 58.100 -0.559 0.000 1.164 846 Y CB -0.553 37.885 38.460 -0.037 0.000 0.982 846 Y HN 0.007 nan 8.280 nan 0.000 0.515 847 D N -0.253 120.026 120.400 -0.201 0.000 2.350 847 D HA -0.144 4.497 4.640 0.001 0.000 0.216 847 D C 1.770 177.954 176.300 -0.192 0.000 0.968 847 D CA 0.778 54.666 54.000 -0.185 0.000 0.894 847 D CB -0.010 40.797 40.800 0.011 0.000 0.909 847 D HN 0.528 nan 8.370 nan 0.000 0.520 848 Q N -0.568 119.125 119.800 -0.178 0.000 2.259 848 Q HA 0.015 4.356 4.340 0.001 0.000 0.201 848 Q C 1.837 177.818 176.000 -0.032 0.000 0.938 848 Q CA 0.459 56.265 55.803 0.004 0.000 0.872 848 Q CB -0.041 28.840 28.738 0.239 0.000 0.971 848 Q HN 0.526 nan 8.270 nan 0.000 0.494 849 F N -1.542 118.276 119.950 -0.220 0.000 2.695 849 F HA 0.693 5.221 4.527 0.001 0.000 0.303 849 F C 0.135 175.780 175.800 -0.258 0.000 1.091 849 F CA -0.552 57.313 58.000 -0.225 0.000 1.300 849 F CB 0.590 39.392 39.000 -0.331 0.000 1.071 849 F HN -0.154 nan 8.300 nan 0.000 0.578 850 A N 0.446 122.935 122.820 -0.552 0.000 2.541 850 A HA 0.399 4.720 4.320 0.001 0.000 0.285 850 A C -0.111 177.218 177.584 -0.425 0.000 1.058 850 A CA -0.806 50.972 52.037 -0.432 0.000 0.886 850 A CB 0.123 18.806 19.000 -0.529 0.000 1.411 850 A HN 0.181 nan 8.150 nan 0.000 0.403 851 D N 1.322 121.595 120.400 -0.210 0.000 3.744 851 D HA -0.375 4.266 4.640 0.001 0.000 0.460 851 D C 1.470 177.735 176.300 -0.059 0.000 0.607 851 D CA 2.257 56.195 54.000 -0.103 0.000 1.004 851 D CB -0.452 40.311 40.800 -0.062 0.000 0.300 851 D HN 0.759 nan 8.370 nan 0.000 0.226 852 Q N -0.065 119.729 119.800 -0.009 0.000 2.392 852 Q HA -0.237 4.104 4.340 0.001 0.000 0.225 852 Q C 0.598 176.638 176.000 0.066 0.000 1.105 852 Q CA 1.712 57.543 55.803 0.047 0.000 0.998 852 Q CB -0.821 27.971 28.738 0.090 0.000 1.070 852 Q HN 0.565 nan 8.270 nan 0.000 0.504 853 L N 0.384 121.648 121.223 0.070 0.000 2.554 853 L HA -0.167 4.174 4.340 0.001 0.000 0.293 853 L C 1.823 178.748 176.870 0.092 0.000 1.252 853 L CA 0.557 55.447 54.840 0.084 0.000 0.862 853 L CB 0.139 42.245 42.059 0.078 0.000 1.113 853 L HN 0.409 nan 8.230 nan 0.000 0.510 854 H N 2.737 121.815 119.070 0.014 0.000 2.298 854 H HA 0.194 4.751 4.556 0.001 0.000 0.318 854 H C 0.102 175.437 175.328 0.011 0.000 1.064 854 H CA 0.945 56.999 56.048 0.010 0.000 1.415 854 H CB 0.864 30.631 29.762 0.008 0.000 1.453 854 H HN 0.699 nan 8.280 nan 0.000 0.546 855 E N -0.736 119.338 120.200 -0.209 0.000 2.790 855 E HA -0.002 4.349 4.350 0.001 0.000 0.298 855 E C -0.483 176.110 176.600 -0.012 0.000 1.166 855 E CA 0.614 56.863 56.400 -0.252 0.000 0.924 855 E CB 0.090 29.453 29.700 -0.560 0.000 1.144 855 E HN 0.608 nan 8.360 nan 0.000 0.455 856 S N 1.872 117.579 115.700 0.011 0.000 3.490 856 S HA -0.323 4.148 4.470 0.001 0.000 0.301 856 S C 0.592 175.234 174.600 0.070 0.000 1.233 856 S CA 2.059 60.291 58.200 0.054 0.000 0.914 856 S CB -1.532 61.718 63.200 0.083 0.000 1.047 856 S HN 0.706 nan 8.310 nan 0.000 0.602 857 Q N -0.528 119.311 119.800 0.065 0.000 2.445 857 Q HA 0.333 4.674 4.340 0.001 0.000 0.257 857 Q C 1.569 177.596 176.000 0.044 0.000 0.806 857 Q CA 0.407 56.246 55.803 0.061 0.000 0.987 857 Q CB -0.021 28.773 28.738 0.093 0.000 1.248 857 Q HN 0.682 nan 8.270 nan 0.000 0.542 858 L N 0.787 122.036 121.223 0.044 0.000 2.465 858 L HA 0.054 4.394 4.340 0.001 0.000 0.224 858 L C 1.374 178.275 176.870 0.051 0.000 1.145 858 L CA 1.341 56.214 54.840 0.056 0.000 0.834 858 L CB -0.799 41.291 42.059 0.053 0.000 0.944 858 L HN 0.193 nan 8.230 nan 0.000 0.451 859 D N 0.192 120.614 120.400 0.037 0.000 2.348 859 D HA -0.123 4.518 4.640 0.001 0.000 0.211 859 D C 1.446 177.764 176.300 0.030 0.000 0.998 859 D CA 0.621 54.641 54.000 0.032 0.000 0.873 859 D CB -0.053 40.762 40.800 0.025 0.000 0.925 859 D HN 0.454 nan 8.370 nan 0.000 0.524 860 K N -0.876 119.540 120.400 0.026 0.000 2.367 860 K HA 0.165 4.486 4.320 0.001 0.000 0.194 860 K C 0.444 177.050 176.600 0.009 0.000 1.027 860 K CA -0.321 55.975 56.287 0.015 0.000 1.075 860 K CB 0.340 32.843 32.500 0.006 0.000 0.845 860 K HN 0.051 nan 8.250 nan 0.000 0.529 861 M N 2.790 122.406 119.600 0.026 0.000 2.080 861 M HA 0.227 4.708 4.480 0.001 0.000 0.350 861 M C -2.469 173.880 176.300 0.081 0.000 1.173 861 M CA -2.661 52.656 55.300 0.028 0.000 1.052 861 M CB 0.765 33.401 32.600 0.061 0.000 1.577 861 M HN -0.136 nan 8.290 nan 0.000 0.455 862 P HA 0.595 nan 4.420 nan 0.000 0.306 862 P C -1.079 176.467 177.300 0.409 0.000 1.309 862 P CA -0.292 62.922 63.100 0.190 0.000 0.759 862 P CB 1.145 32.954 31.700 0.183 0.000 1.314 863 A N -0.946 122.186 122.820 0.520 0.000 1.948 863 A HA 0.353 4.674 4.320 0.001 0.000 0.197 863 A C 0.178 177.799 177.584 0.063 0.000 1.911 863 A CA 0.370 52.548 52.037 0.234 0.000 1.011 863 A CB -0.615 18.520 19.000 0.225 0.000 1.119 863 A HN 0.452 nan 8.150 nan 0.000 0.621 864 L N 1.690 122.878 121.223 -0.059 0.000 2.329 864 L HA 0.665 5.005 4.340 0.001 0.000 0.279 864 L C -2.634 174.068 176.870 -0.280 0.000 1.014 864 L CA -2.150 52.533 54.840 -0.262 0.000 0.814 864 L CB 0.880 42.679 42.059 -0.433 0.000 1.257 864 L HN 0.075 nan 8.230 nan 0.000 0.424 865 P HA -0.026 nan 4.420 nan 0.000 0.257 865 P C -0.651 176.539 177.300 -0.183 0.000 1.144 865 P CA 0.381 63.354 63.100 -0.212 0.000 0.761 865 P CB -0.117 31.445 31.700 -0.231 0.000 0.734 866 A N 4.905 127.649 122.820 -0.127 0.000 2.498 866 A HA 0.125 4.445 4.320 0.001 0.000 0.239 866 A C 0.664 178.187 177.584 -0.101 0.000 1.068 866 A CA -0.081 51.893 52.037 -0.106 0.000 0.766 866 A CB 0.073 19.025 19.000 -0.080 0.000 1.003 866 A HN 0.339 nan 8.150 nan 0.000 0.497 867 K N 1.437 121.783 120.400 -0.091 0.000 2.270 867 K HA 0.330 4.651 4.320 0.001 0.000 0.276 867 K C 0.836 177.394 176.600 -0.070 0.000 1.023 867 K CA 0.500 56.739 56.287 -0.080 0.000 0.955 867 K CB 1.232 33.690 32.500 -0.070 0.000 0.975 867 K HN 0.831 nan 8.250 nan 0.000 0.471 868 G N 1.232 109.990 108.800 -0.070 0.000 2.509 868 G HA2 0.081 4.042 3.960 0.001 0.000 0.269 868 G HA3 0.081 4.042 3.960 0.001 0.000 0.269 868 G C 0.100 174.966 174.900 -0.057 0.000 1.416 868 G CA -0.539 44.522 45.100 -0.065 0.000 1.052 868 G HN 0.647 nan 8.290 nan 0.000 0.542 869 N N -1.002 117.665 118.700 -0.055 0.000 2.275 869 N HA 0.198 4.939 4.740 0.001 0.000 0.236 869 N C -0.173 175.308 175.510 -0.049 0.000 1.154 869 N CA -0.421 52.600 53.050 -0.048 0.000 0.866 869 N CB 0.595 39.056 38.487 -0.043 0.000 1.093 869 N HN 0.223 nan 8.380 nan 0.000 0.515 870 L N 1.120 122.308 121.223 -0.058 0.000 2.367 870 L HA 0.270 4.611 4.340 0.001 0.000 0.275 870 L C -0.144 176.693 176.870 -0.055 0.000 1.129 870 L CA -0.250 54.553 54.840 -0.062 0.000 0.839 870 L CB 0.454 42.465 42.059 -0.080 0.000 1.133 870 L HN 0.037 nan 8.230 nan 0.000 0.453 871 N N 4.210 122.880 118.700 -0.050 0.000 2.439 871 N HA 0.196 4.937 4.740 0.001 0.000 0.249 871 N C 0.729 176.210 175.510 -0.048 0.000 1.003 871 N CA -0.165 52.859 53.050 -0.042 0.000 0.942 871 N CB 0.580 39.046 38.487 -0.035 0.000 1.115 871 N HN 0.783 nan 8.380 nan 0.000 0.505 872 L N 2.405 123.601 121.223 -0.045 0.000 2.187 872 L HA -0.117 4.224 4.340 0.001 0.000 0.213 872 L C 2.105 178.948 176.870 -0.046 0.000 1.100 872 L CA 0.750 55.562 54.840 -0.046 0.000 0.765 872 L CB -0.201 41.846 42.059 -0.021 0.000 0.904 872 L HN 0.483 nan 8.230 nan 0.000 0.437 873 R N 0.131 120.608 120.500 -0.038 0.000 2.152 873 R HA -0.125 4.216 4.340 0.001 0.000 0.232 873 R C 1.556 177.831 176.300 -0.042 0.000 1.117 873 R CA 0.962 57.040 56.100 -0.037 0.000 0.981 873 R CB -0.673 29.611 30.300 -0.027 0.000 0.870 873 R HN 0.420 nan 8.270 nan 0.000 0.451 874 D N 0.767 121.140 120.400 -0.045 0.000 2.263 874 D HA -0.110 4.531 4.640 0.001 0.000 0.208 874 D C 1.901 178.164 176.300 -0.061 0.000 0.971 874 D CA 0.707 54.679 54.000 -0.046 0.000 0.867 874 D CB -0.143 40.630 40.800 -0.045 0.000 0.929 874 D HN 0.262 nan 8.370 nan 0.000 0.492 875 I N 0.542 121.067 120.570 -0.074 0.000 2.208 875 I HA -0.270 3.901 4.170 0.001 0.000 0.245 875 I C 2.314 178.365 176.117 -0.110 0.000 1.097 875 I CA 0.756 61.997 61.300 -0.098 0.000 1.363 875 I CB -0.260 37.677 38.000 -0.105 0.000 1.051 875 I HN -0.014 nan 8.210 nan 0.000 0.413 876 L N 0.258 121.429 121.223 -0.087 0.000 2.127 876 L HA -0.193 4.148 4.340 0.001 0.000 0.211 876 L C 2.058 178.889 176.870 -0.065 0.000 1.089 876 L CA 1.135 55.926 54.840 -0.080 0.000 0.757 876 L CB -0.520 41.512 42.059 -0.044 0.000 0.899 876 L HN 0.275 nan 8.230 nan 0.000 0.434 877 E N -0.653 119.517 120.200 -0.051 0.000 2.474 877 E HA 0.077 4.428 4.350 0.001 0.000 0.195 877 E C 0.639 177.209 176.600 -0.050 0.000 1.039 877 E CA 0.057 56.438 56.400 -0.031 0.000 0.881 877 E CB 0.346 30.034 29.700 -0.019 0.000 0.970 877 E HN 0.150 nan 8.360 nan 0.000 0.486 878 S N 1.127 116.774 115.700 -0.088 0.000 2.523 878 S HA 0.088 4.559 4.470 0.001 0.000 0.275 878 S C 0.469 174.973 174.600 -0.160 0.000 1.281 878 S CA -0.499 57.630 58.200 -0.118 0.000 1.050 878 S CB 0.862 63.991 63.200 -0.119 0.000 0.937 878 S HN -0.130 nan 8.310 nan 0.000 0.492 879 D N 3.317 123.557 120.400 -0.266 0.000 2.262 879 D HA 0.116 4.756 4.640 0.001 0.000 0.212 879 D C 0.583 176.664 176.300 -0.365 0.000 0.964 879 D CA 1.011 54.847 54.000 -0.273 0.000 0.875 879 D CB -0.018 40.395 40.800 -0.645 0.000 0.996 879 D HN 0.653 nan 8.370 nan 0.000 0.497 880 F N 0.356 120.249 119.950 -0.095 0.000 2.641 880 F HA 0.410 4.938 4.527 0.001 0.000 0.302 880 F C 0.992 176.556 175.800 -0.393 0.000 1.098 880 F CA -0.590 57.176 58.000 -0.389 0.000 1.318 880 F CB -0.087 38.724 39.000 -0.316 0.000 1.035 880 F HN -0.200 nan 8.300 nan 0.000 0.551 881 A N -0.155 122.559 122.820 -0.177 0.000 3.215 881 A HA 0.347 4.668 4.320 0.001 0.000 0.269 881 A C 0.902 178.439 177.584 -0.077 0.000 1.517 881 A CA -0.353 51.623 52.037 -0.101 0.000 1.221 881 A CB -1.322 17.615 19.000 -0.105 0.000 1.160 881 A HN 0.287 nan 8.150 nan 0.000 0.620 882 F N 0.821 120.868 119.950 0.161 0.000 2.141 882 F HA -0.195 4.333 4.527 0.001 0.000 0.300 882 F C 1.739 177.599 175.800 0.101 0.000 1.079 882 F CA 1.590 59.698 58.000 0.181 0.000 1.264 882 F CB -0.365 38.907 39.000 0.452 0.000 1.011 882 F HN 0.480 nan 8.300 nan 0.000 0.487 883 A N 0.000 123.025 122.820 0.342 0.000 2.254 883 A HA 0.000 4.321 4.320 0.001 0.000 0.244 883 A CA 0.000 52.224 52.037 0.312 0.000 0.836 883 A CB 0.000 19.365 19.000 0.608 0.000 0.831 883 A HN 0.000 nan 8.150 nan 0.000 0.486