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 2o7d_1_D DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV 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 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.515 32.500 0.025 0.000 1.064 9 P HA 0.209 nan 4.420 nan 0.000 0.267 9 P C -1.331 175.977 177.300 0.015 0.000 1.201 9 P CA -0.265 62.846 63.100 0.019 0.000 0.775 9 P CB 0.483 32.197 31.700 0.023 0.000 0.854 10 A N 1.501 124.328 122.820 0.011 0.000 2.356 10 A HA 0.534 4.849 4.320 -0.008 0.000 0.310 10 A C -0.948 176.639 177.584 0.005 0.000 1.075 10 A CA -0.595 51.446 52.037 0.007 0.000 0.746 10 A CB 1.227 20.230 19.000 0.005 0.000 1.221 10 A HN 0.327 nan 8.150 nan 0.000 0.443 11 V N 2.613 122.527 119.914 0.000 0.000 2.350 11 V HA 0.269 4.384 4.120 -0.008 0.000 0.276 11 V C 0.334 176.425 176.094 -0.005 0.000 1.028 11 V CA -0.302 61.997 62.300 -0.002 0.000 0.860 11 V CB 1.118 32.935 31.823 -0.010 0.000 0.990 11 V HN 0.953 nan 8.190 nan 0.000 0.453 12 E N 4.585 124.785 120.200 -0.001 0.000 2.130 12 E HA 0.351 4.696 4.350 -0.008 0.000 0.284 12 E C -0.894 175.705 176.600 -0.002 0.000 1.018 12 E CA -0.777 55.623 56.400 -0.001 0.000 0.817 12 E CB 1.225 30.927 29.700 0.003 0.000 1.078 12 E HN 0.562 nan 8.360 nan 0.000 0.396 13 L N 5.404 126.622 121.223 -0.008 0.000 2.265 13 L HA 0.269 4.604 4.340 -0.008 0.000 0.288 13 L C -0.167 176.701 176.870 -0.003 0.000 1.058 13 L CA 0.493 55.326 54.840 -0.011 0.000 0.809 13 L CB 1.234 43.280 42.059 -0.021 0.000 1.179 13 L HN 0.735 nan 8.230 nan 0.000 0.429 14 D N 2.787 123.190 120.400 0.006 0.000 3.061 14 D HA 0.191 4.826 4.640 -0.008 0.000 0.243 14 D C 1.326 177.635 176.300 0.015 0.000 1.572 14 D CA 0.841 54.848 54.000 0.011 0.000 1.269 14 D CB 0.688 41.499 40.800 0.019 0.000 1.023 14 D HN 0.588 nan 8.370 nan 0.000 0.280 15 R N -1.819 118.701 120.500 0.034 0.000 2.320 15 R HA 0.234 4.569 4.340 -0.008 0.000 0.193 15 R C 0.140 176.485 176.300 0.075 0.000 0.885 15 R CA -0.189 55.938 56.100 0.045 0.000 1.085 15 R CB 0.655 30.986 30.300 0.050 0.000 1.253 15 R HN 0.193 nan 8.270 nan 0.000 0.636 16 H N 0.369 119.432 119.070 -0.012 0.000 2.495 16 H HA 0.561 5.111 4.556 -0.009 0.000 0.348 16 H C -1.455 173.866 175.328 -0.012 0.000 1.113 16 H CA -0.708 55.332 56.048 -0.014 0.000 1.195 16 H CB 1.505 31.260 29.762 -0.013 0.000 1.521 16 H HN 0.004 nan 8.280 nan 0.000 0.509 17 I N 4.468 124.701 120.570 -0.563 0.000 2.533 17 I HA 0.259 4.424 4.170 -0.008 0.000 0.290 17 I C -1.158 174.691 176.117 -0.447 0.000 1.056 17 I CA -0.878 60.227 61.300 -0.326 0.000 1.057 17 I CB 1.412 39.304 38.000 -0.181 0.000 1.240 17 I HN 0.837 nan 8.210 nan 0.000 0.423 18 D N 6.083 126.385 120.400 -0.164 0.000 2.387 18 D HA 0.211 4.846 4.640 -0.008 0.000 0.251 18 D C 1.036 177.312 176.300 -0.040 0.000 1.141 18 D CA -0.572 53.392 54.000 -0.060 0.000 0.987 18 D CB 1.038 41.878 40.800 0.067 0.000 1.116 18 D HN 0.505 nan 8.370 nan 0.000 0.491 19 L N -0.268 120.953 121.223 -0.004 0.000 2.079 19 L HA -0.175 4.160 4.340 -0.008 0.000 0.210 19 L C 1.463 178.367 176.870 0.056 0.000 1.081 19 L CA 1.507 56.361 54.840 0.023 0.000 0.752 19 L CB -0.479 41.605 42.059 0.042 0.000 0.896 19 L HN 0.461 nan 8.230 nan 0.000 0.433 20 D N -0.351 120.083 120.400 0.057 0.000 2.117 20 D HA -0.165 4.470 4.640 -0.008 0.000 0.198 20 D C 2.339 178.676 176.300 0.062 0.000 0.982 20 D CA 1.022 55.069 54.000 0.079 0.000 0.828 20 D CB -0.106 40.735 40.800 0.067 0.000 0.967 20 D HN 0.402 nan 8.370 nan 0.000 0.464 21 Q N 0.368 120.187 119.800 0.031 0.000 2.084 21 Q HA -0.066 4.269 4.340 -0.008 0.000 0.202 21 Q C 2.238 178.234 176.000 -0.007 0.000 0.978 21 Q CA 1.364 57.174 55.803 0.011 0.000 0.844 21 Q CB -0.113 28.622 28.738 -0.006 0.000 0.898 21 Q HN 0.205 nan 8.270 nan 0.000 0.426 22 A N 0.917 123.728 122.820 -0.016 0.000 1.883 22 A HA -0.254 4.061 4.320 -0.008 0.000 0.217 22 A C 1.968 179.527 177.584 -0.042 0.000 1.186 22 A CA 1.717 53.732 52.037 -0.037 0.000 0.624 22 A CB -0.878 18.100 19.000 -0.036 0.000 0.822 22 A HN 0.457 nan 8.150 nan 0.000 0.444 23 H N -0.049 118.963 119.070 -0.097 0.000 2.423 23 H HA 0.023 4.574 4.556 -0.009 0.000 0.297 23 H C 2.266 177.506 175.328 -0.147 0.000 1.075 23 H CA 1.463 57.413 56.048 -0.163 0.000 1.342 23 H CB -0.184 29.385 29.762 -0.322 0.000 1.395 23 H HN 0.410 nan 8.280 nan 0.000 0.530 24 A N 0.497 123.312 122.820 -0.009 0.000 1.908 24 A HA -0.118 4.197 4.320 -0.008 0.000 0.218 24 A C 2.851 180.397 177.584 -0.062 0.000 1.181 24 A CA 1.746 53.782 52.037 -0.002 0.000 0.627 24 A CB -0.900 18.120 19.000 0.033 0.000 0.818 24 A HN 0.289 nan 8.150 nan 0.000 0.445 25 V N -0.298 119.569 119.914 -0.080 0.000 2.307 25 V HA -0.192 3.923 4.120 -0.008 0.000 0.245 25 V C 3.065 179.065 176.094 -0.157 0.000 1.045 25 V CA 1.857 64.103 62.300 -0.090 0.000 1.024 25 V CB -1.254 30.520 31.823 -0.081 0.000 0.651 25 V HN 0.609 nan 8.190 nan 0.000 0.449 26 A N 0.736 123.420 122.820 -0.226 0.000 1.940 26 A HA -0.197 4.118 4.320 -0.008 0.000 0.219 26 A C 2.369 179.729 177.584 -0.373 0.000 1.176 26 A CA 2.225 54.071 52.037 -0.319 0.000 0.631 26 A CB -0.648 18.166 19.000 -0.309 0.000 0.814 26 A HN 0.699 nan 8.150 nan 0.000 0.446 27 S N -1.898 113.606 115.700 -0.327 0.000 2.593 27 S HA 0.377 4.842 4.470 -0.008 0.000 0.217 27 S C 1.369 176.090 174.600 0.201 0.000 0.966 27 S CA 1.008 59.162 58.200 -0.076 0.000 0.914 27 S CB -0.390 62.672 63.200 -0.230 0.000 0.776 27 S HN 1.934 nan 8.310 nan 0.000 0.523 28 G N 0.421 109.273 108.800 0.086 0.000 2.155 28 G HA2 -0.232 3.723 3.960 -0.008 0.000 0.257 28 G HA3 -0.232 3.723 3.960 -0.008 0.000 0.257 28 G C 0.847 175.817 174.900 0.116 0.000 0.983 28 G CA 0.158 45.367 45.100 0.182 0.000 0.676 28 G HN 0.981 nan 8.290 nan 0.000 0.528 29 G N -0.563 108.280 108.800 0.072 0.000 2.572 29 G HA2 0.564 4.519 3.960 -0.008 0.000 0.216 29 G HA3 0.564 4.519 3.960 -0.008 0.000 0.216 29 G C 0.646 175.573 174.900 0.045 0.000 1.133 29 G CA 1.668 46.807 45.100 0.064 0.000 0.791 29 G HN 1.807 nan 8.290 nan 0.000 0.538 30 A N -0.478 122.359 122.820 0.028 0.000 2.498 30 A HA 0.801 5.116 4.320 -0.008 0.000 0.298 30 A C -0.230 177.358 177.584 0.007 0.000 1.075 30 A CA -0.818 51.230 52.037 0.018 0.000 0.714 30 A CB 1.592 20.599 19.000 0.012 0.000 1.299 30 A HN 0.194 nan 8.150 nan 0.000 0.407 31 R N -0.110 120.394 120.500 0.007 0.000 2.541 31 R HA 0.678 5.013 4.340 -0.008 0.000 0.263 31 R C -0.776 175.519 176.300 -0.009 0.000 1.112 31 R CA -0.416 55.684 56.100 0.001 0.000 1.170 31 R CB 1.158 31.460 30.300 0.004 0.000 1.167 31 R HN 0.680 nan 8.270 nan 0.000 0.582 32 I N 0.784 121.345 120.570 -0.014 0.000 2.582 32 I HA 0.391 4.556 4.170 -0.008 0.000 0.292 32 I C -1.479 174.629 176.117 -0.015 0.000 1.066 32 I CA -0.872 60.417 61.300 -0.019 0.000 1.053 32 I CB 1.963 39.944 38.000 -0.031 0.000 1.241 32 I HN 0.283 nan 8.210 nan 0.000 0.421 33 V N 7.948 127.855 119.914 -0.013 0.000 2.789 33 V HA 0.514 4.629 4.120 -0.008 0.000 0.311 33 V C -1.404 174.684 176.094 -0.011 0.000 1.073 33 V CA -0.691 61.603 62.300 -0.010 0.000 0.921 33 V CB 2.154 33.973 31.823 -0.006 0.000 1.009 33 V HN 0.650 nan 8.190 nan 0.000 0.426 34 L N 6.352 127.568 121.223 -0.011 0.000 2.281 34 L HA 0.762 5.097 4.340 -0.008 0.000 0.285 34 L C 0.700 177.566 176.870 -0.007 0.000 1.074 34 L CA 0.620 55.454 54.840 -0.011 0.000 0.817 34 L CB 0.816 42.867 42.059 -0.013 0.000 1.168 34 L HN 0.919 nan 8.230 nan 0.000 0.434 35 A N 6.836 129.653 122.820 -0.004 0.000 2.425 35 A HA 0.377 4.692 4.320 -0.008 0.000 0.242 35 A C -1.561 176.022 177.584 -0.002 0.000 1.077 35 A CA -0.796 51.240 52.037 -0.001 0.000 0.781 35 A CB -0.344 18.657 19.000 0.002 0.000 1.020 35 A HN 0.785 nan 8.150 nan 0.000 0.494 36 P HA -0.156 nan 4.420 nan 0.000 0.216 36 P C -1.472 175.827 177.300 -0.002 0.000 1.154 36 P CA 1.856 64.955 63.100 -0.002 0.000 0.865 36 P CB -0.714 30.985 31.700 -0.001 0.000 0.789 37 P HA -0.097 nan 4.420 nan 0.000 0.218 37 P C 1.328 178.629 177.300 0.001 0.000 1.149 37 P CA 1.742 64.843 63.100 0.002 0.000 0.817 37 P CB -0.536 31.166 31.700 0.004 0.000 0.785 38 A N -0.310 122.510 122.820 0.000 0.000 1.898 38 A HA -0.134 4.181 4.320 -0.008 0.000 0.214 38 A C 2.382 179.963 177.584 -0.005 0.000 1.183 38 A CA 1.054 53.090 52.037 -0.001 0.000 0.622 38 A CB -1.008 17.990 19.000 -0.003 0.000 0.824 38 A HN -0.012 nan 8.150 nan 0.000 0.444 39 R N -0.115 120.381 120.500 -0.007 0.000 2.081 39 R HA -0.168 4.167 4.340 -0.008 0.000 0.235 39 R C 1.243 177.536 176.300 -0.010 0.000 1.131 39 R CA 1.925 58.018 56.100 -0.011 0.000 0.960 39 R CB -0.325 29.968 30.300 -0.011 0.000 0.856 39 R HN 0.453 nan 8.270 nan 0.000 0.436 40 D N 0.151 120.547 120.400 -0.007 0.000 2.144 40 D HA -0.166 4.469 4.640 -0.008 0.000 0.200 40 D C 1.981 178.278 176.300 -0.004 0.000 0.978 40 D CA 1.374 55.371 54.000 -0.006 0.000 0.833 40 D CB -0.169 40.629 40.800 -0.003 0.000 0.961 40 D HN 0.472 nan 8.370 nan 0.000 0.470 41 R N 0.278 120.778 120.500 -0.001 0.000 2.148 41 R HA 0.032 4.367 4.340 -0.008 0.000 0.223 41 R C 2.009 178.310 176.300 0.002 0.000 1.088 41 R CA 0.909 57.011 56.100 0.003 0.000 0.985 41 R CB -0.725 29.579 30.300 0.007 0.000 0.880 41 R HN 0.067 nan 8.270 nan 0.000 0.451 42 C N 0.751 120.049 119.300 -0.004 0.000 2.475 42 C HA 0.191 4.646 4.460 -0.008 0.000 0.279 42 C C 2.602 177.580 174.990 -0.019 0.000 1.322 42 C CA 0.271 59.284 59.018 -0.008 0.000 1.734 42 C CB -0.692 27.040 27.740 -0.013 0.000 2.005 42 C HN 0.526 nan 8.230 nan 0.000 0.495 43 R N 1.164 121.652 120.500 -0.021 0.000 2.096 43 R HA -0.107 4.228 4.340 -0.008 0.000 0.235 43 R C 2.352 178.637 176.300 -0.025 0.000 1.127 43 R CA 1.590 57.673 56.100 -0.027 0.000 0.968 43 R CB -0.444 29.843 30.300 -0.021 0.000 0.861 43 R HN 0.540 nan 8.270 nan 0.000 0.440 44 A N 0.196 123.006 122.820 -0.016 0.000 1.933 44 A HA -0.175 4.140 4.320 -0.008 0.000 0.218 44 A C 2.178 179.750 177.584 -0.020 0.000 1.175 44 A CA 1.815 53.844 52.037 -0.013 0.000 0.628 44 A CB -0.519 18.480 19.000 -0.002 0.000 0.814 44 A HN 0.300 nan 8.150 nan 0.000 0.444 45 S N -0.826 114.865 115.700 -0.015 0.000 2.368 45 S HA -0.186 4.279 4.470 -0.008 0.000 0.224 45 S C 2.018 176.568 174.600 -0.083 0.000 1.029 45 S CA 1.517 59.705 58.200 -0.020 0.000 0.988 45 S CB -0.334 62.880 63.200 0.023 0.000 0.838 45 S HN 0.671 nan 8.310 nan 0.000 0.462 46 E N 0.410 120.569 120.200 -0.068 0.000 2.085 46 E HA -0.159 4.186 4.350 -0.008 0.000 0.194 46 E C 2.084 178.631 176.600 -0.089 0.000 0.994 46 E CA 1.131 57.480 56.400 -0.085 0.000 0.801 46 E CB -0.373 29.284 29.700 -0.071 0.000 0.743 46 E HN 0.607 nan 8.360 nan 0.000 0.453 47 A N 1.292 124.073 122.820 -0.065 0.000 1.902 47 A HA -0.178 4.137 4.320 -0.008 0.000 0.217 47 A C 2.145 179.679 177.584 -0.083 0.000 1.181 47 A CA 1.423 53.428 52.037 -0.054 0.000 0.623 47 A CB -0.444 18.537 19.000 -0.032 0.000 0.818 47 A HN 0.190 nan 8.150 nan 0.000 0.443 48 R N -1.180 119.256 120.500 -0.108 0.000 2.096 48 R HA -0.099 4.236 4.340 -0.008 0.000 0.235 48 R C 2.085 178.222 176.300 -0.272 0.000 1.127 48 R CA 1.347 57.366 56.100 -0.136 0.000 0.968 48 R CB -0.583 29.660 30.300 -0.096 0.000 0.861 48 R HN 0.497 nan 8.270 nan 0.000 0.440 49 L N 0.601 121.577 121.223 -0.411 0.000 2.046 49 L HA -0.019 4.316 4.340 -0.008 0.000 0.208 49 L C 2.158 178.886 176.870 -0.236 0.000 1.077 49 L CA 2.082 56.602 54.840 -0.534 0.000 0.747 49 L CB -0.996 40.776 42.059 -0.479 0.000 0.896 49 L HN 0.157 nan 8.230 nan 0.000 0.432 50 G N -1.067 107.650 108.800 -0.138 0.000 2.442 50 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.219 50 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.219 50 G C 1.585 176.452 174.900 -0.055 0.000 1.141 50 G CA 0.837 45.897 45.100 -0.066 0.000 0.763 50 G HN 0.645 nan 8.290 nan 0.000 0.554 51 A N 0.051 122.833 122.820 -0.063 0.000 1.898 51 A HA 0.126 4.441 4.320 -0.008 0.000 0.216 51 A C 2.595 180.167 177.584 -0.020 0.000 1.181 51 A CA 1.671 53.688 52.037 -0.034 0.000 0.620 51 A CB -0.584 18.399 19.000 -0.028 0.000 0.819 51 A HN 0.240 nan 8.150 nan 0.000 0.442 52 V N 0.320 120.211 119.914 -0.039 0.000 2.343 52 V HA -0.276 3.839 4.120 -0.008 0.000 0.247 52 V C 2.417 178.527 176.094 0.027 0.000 1.051 52 V CA 2.099 64.408 62.300 0.016 0.000 1.036 52 V CB -0.626 31.215 31.823 0.029 0.000 0.654 52 V HN 0.577 nan 8.190 nan 0.000 0.451 53 I N -0.561 120.007 120.570 -0.003 0.000 2.252 53 I HA -0.212 3.953 4.170 -0.008 0.000 0.245 53 I C 2.710 178.831 176.117 0.007 0.000 1.102 53 I CA 1.434 62.740 61.300 0.009 0.000 1.385 53 I CB -0.429 37.567 38.000 -0.007 0.000 1.064 53 I HN 0.229 nan 8.210 nan 0.000 0.414 54 R N 0.889 121.388 120.500 -0.002 0.000 2.120 54 R HA -0.144 4.191 4.340 -0.008 0.000 0.234 54 R C 1.575 177.879 176.300 0.007 0.000 1.123 54 R CA 1.184 57.283 56.100 -0.001 0.000 0.975 54 R CB -0.264 30.032 30.300 -0.005 0.000 0.866 54 R HN 0.495 nan 8.270 nan 0.000 0.446 55 E N 0.165 120.375 120.200 0.015 0.000 2.489 55 E HA 0.140 4.486 4.350 -0.008 0.000 0.193 55 E C 0.334 176.952 176.600 0.030 0.000 1.057 55 E CA 0.308 56.721 56.400 0.023 0.000 0.866 55 E CB 0.507 30.224 29.700 0.030 0.000 0.916 55 E HN 0.302 nan 8.360 nan 0.000 0.500 56 A N 2.149 124.988 122.820 0.031 0.000 2.822 56 A HA -0.232 4.083 4.320 -0.008 0.000 0.287 56 A C 0.160 177.780 177.584 0.060 0.000 1.479 56 A CA 0.573 52.631 52.037 0.035 0.000 0.779 56 A CB -1.336 17.673 19.000 0.015 0.000 1.022 56 A HN 0.154 nan 8.150 nan 0.000 0.532 57 R N 0.086 120.639 120.500 0.088 0.000 2.679 57 R HA 0.082 4.417 4.340 -0.008 0.000 0.268 57 R C 0.512 176.926 176.300 0.190 0.000 1.044 57 R CA -0.038 56.141 56.100 0.132 0.000 1.105 57 R CB 0.047 30.436 30.300 0.149 0.000 0.989 57 R HN 0.716 nan 8.270 nan 0.000 0.447 58 H N 1.709 120.822 119.070 0.071 0.000 3.160 58 H HA 0.217 4.769 4.556 -0.005 0.000 0.257 58 H C -0.864 174.537 175.328 0.122 0.000 1.140 58 H CA -0.380 55.702 56.048 0.057 0.000 1.492 58 H CB 0.238 30.008 29.762 0.013 0.000 1.529 58 H HN 0.044 nan 8.280 nan 0.000 0.490 59 V N 6.334 126.432 119.914 0.308 0.000 2.686 59 V HA -0.006 4.109 4.120 -0.008 0.000 0.306 59 V C -0.782 175.511 176.094 0.333 0.000 1.065 59 V CA -0.999 61.510 62.300 0.348 0.000 0.894 59 V CB 1.391 33.422 31.823 0.346 0.000 1.004 59 V HN 0.652 nan 8.190 nan 0.000 0.424 60 Y N 3.774 124.290 120.300 0.361 0.000 2.805 60 Y HA 0.357 4.908 4.550 0.001 0.000 0.331 60 Y C 1.355 177.332 175.900 0.129 0.000 1.241 60 Y CA 1.794 60.007 58.100 0.188 0.000 1.546 60 Y CB 0.468 39.094 38.460 0.278 0.000 1.248 60 Y HN 1.063 nan 8.280 nan 0.000 0.559 61 G N 4.095 112.584 108.800 -0.519 0.000 2.225 61 G HA2 -0.297 3.658 3.960 -0.008 0.000 0.254 61 G HA3 -0.297 3.658 3.960 -0.008 0.000 0.254 61 G C 0.605 175.452 174.900 -0.088 0.000 0.988 61 G CA 0.548 45.439 45.100 -0.348 0.000 0.625 61 G HN 0.674 nan 8.290 nan 0.000 0.527 62 L N -0.081 121.132 121.223 -0.016 0.000 2.609 62 L HA 0.307 4.643 4.340 -0.008 0.000 0.230 62 L C 2.000 178.875 176.870 0.007 0.000 1.064 62 L CA 1.486 56.350 54.840 0.040 0.000 0.873 62 L CB 0.623 42.754 42.059 0.120 0.000 1.139 62 L HN 0.460 nan 8.230 nan 0.000 0.490 63 T N -4.022 110.534 114.554 0.003 0.000 3.488 63 T HA 0.185 4.530 4.350 -0.008 0.000 0.312 63 T C 0.183 174.868 174.700 -0.025 0.000 0.931 63 T CA 0.130 62.230 62.100 0.000 0.000 0.982 63 T CB -0.001 68.901 68.868 0.057 0.000 1.198 63 T HN 0.158 nan 8.240 nan 0.000 0.545 64 T N -1.935 112.545 114.554 -0.122 0.000 2.841 64 T HA 0.793 5.138 4.350 -0.008 0.000 0.296 64 T C 0.517 174.959 174.700 -0.431 0.000 1.166 64 T CA -0.284 61.721 62.100 -0.158 0.000 1.007 64 T CB 1.423 70.285 68.868 -0.010 0.000 1.253 64 T HN 0.327 nan 8.240 nan 0.000 0.511 65 G N -0.271 108.323 108.800 -0.343 0.000 2.535 65 G HA2 0.578 4.533 3.960 -0.008 0.000 0.282 65 G HA3 0.578 4.533 3.960 -0.008 0.000 0.282 65 G C -1.131 173.367 174.900 -0.671 0.000 1.350 65 G CA -0.807 44.013 45.100 -0.468 0.000 1.039 65 G HN 0.542 nan 8.290 nan 0.000 0.509 66 F N -0.740 119.169 119.950 -0.067 0.000 2.507 66 F HA 0.611 5.131 4.527 -0.011 0.000 0.327 66 F C 1.125 177.025 175.800 0.167 0.000 1.068 66 F CA 0.388 58.405 58.000 0.028 0.000 0.965 66 F CB 1.464 40.490 39.000 0.043 0.000 1.192 66 F HN 1.038 nan 8.300 nan 0.000 0.476 67 G N 2.209 111.317 108.800 0.514 0.000 2.566 67 G HA2 -0.258 3.697 3.960 -0.008 0.000 0.280 67 G HA3 -0.258 3.697 3.960 -0.008 0.000 0.280 67 G C -1.750 173.263 174.900 0.188 0.000 1.225 67 G CA -0.073 45.187 45.100 0.267 0.000 0.966 67 G HN 0.551 nan 8.290 nan 0.000 0.560 68 P HA 0.064 nan 4.420 nan 0.000 0.234 68 P C 1.690 179.030 177.300 0.066 0.000 1.167 68 P CA 0.981 64.127 63.100 0.077 0.000 0.763 68 P CB -0.070 31.661 31.700 0.052 0.000 0.835 69 L N -0.998 120.268 121.223 0.072 0.000 2.591 69 L HA 0.171 4.506 4.340 -0.008 0.000 0.228 69 L C 2.369 179.251 176.870 0.021 0.000 1.133 69 L CA 0.220 55.080 54.840 0.032 0.000 0.880 69 L CB -0.624 41.442 42.059 0.011 0.000 1.033 69 L HN -0.078 nan 8.230 nan 0.000 0.450 70 A N 1.417 124.284 122.820 0.078 0.000 2.125 70 A HA -0.193 4.122 4.320 -0.008 0.000 0.219 70 A C 1.974 179.600 177.584 0.070 0.000 1.156 70 A CA 1.545 53.638 52.037 0.092 0.000 0.671 70 A CB -0.547 18.601 19.000 0.247 0.000 0.794 70 A HN 0.658 nan 8.150 nan 0.000 0.459 71 N N -0.460 118.271 118.700 0.053 0.000 2.571 71 N HA -0.066 4.669 4.740 -0.008 0.000 0.189 71 N C 0.038 175.557 175.510 0.015 0.000 1.154 71 N CA 0.352 53.428 53.050 0.043 0.000 0.907 71 N CB -0.234 38.272 38.487 0.032 0.000 0.977 71 N HN 0.206 nan 8.380 nan 0.000 0.449 72 R N 1.096 121.594 120.500 -0.004 0.000 2.230 72 R HA 0.381 4.716 4.340 -0.008 0.000 0.337 72 R C -0.148 176.123 176.300 -0.048 0.000 1.063 72 R CA -0.327 55.756 56.100 -0.030 0.000 0.935 72 R CB 0.559 30.836 30.300 -0.039 0.000 1.121 72 R HN 0.154 nan 8.270 nan 0.000 0.486 73 L N 3.714 124.906 121.223 -0.052 0.000 2.461 73 L HA 0.255 4.590 4.340 -0.008 0.000 0.272 73 L C 0.240 177.067 176.870 -0.072 0.000 1.197 73 L CA -0.023 54.774 54.840 -0.073 0.000 0.836 73 L CB 0.367 42.356 42.059 -0.116 0.000 1.105 73 L HN 0.340 nan 8.230 nan 0.000 0.477 74 I N 0.849 121.374 120.570 -0.074 0.000 2.569 74 I HA 0.286 4.451 4.170 -0.008 0.000 0.296 74 I C 0.151 176.238 176.117 -0.050 0.000 1.028 74 I CA -0.421 60.839 61.300 -0.067 0.000 1.082 74 I CB 1.839 39.786 38.000 -0.088 0.000 1.264 74 I HN 0.506 nan 8.210 nan 0.000 0.429 75 S N 2.873 118.549 115.700 -0.040 0.000 2.580 75 S HA 0.284 4.749 4.470 -0.008 0.000 0.274 75 S C 1.352 175.938 174.600 -0.024 0.000 1.329 75 S CA -0.175 58.007 58.200 -0.030 0.000 1.036 75 S CB 1.415 64.599 63.200 -0.025 0.000 0.919 75 S HN 0.914 nan 8.310 nan 0.000 0.515 76 G N 1.252 110.041 108.800 -0.018 0.000 2.498 76 G HA2 -0.187 3.768 3.960 -0.008 0.000 0.219 76 G HA3 -0.187 3.768 3.960 -0.008 0.000 0.219 76 G C 1.033 175.925 174.900 -0.013 0.000 1.119 76 G CA 0.643 45.736 45.100 -0.013 0.000 0.766 76 G HN 0.888 nan 8.290 nan 0.000 0.552 77 E N -0.158 120.033 120.200 -0.014 0.000 2.511 77 E HA 0.032 4.377 4.350 -0.008 0.000 0.196 77 E C 0.792 177.385 176.600 -0.011 0.000 1.066 77 E CA 0.337 56.729 56.400 -0.013 0.000 0.871 77 E CB 0.008 29.701 29.700 -0.012 0.000 0.863 77 E HN 0.307 nan 8.360 nan 0.000 0.520 78 N N 0.418 119.110 118.700 -0.012 0.000 2.184 78 N HA 0.068 4.803 4.740 -0.008 0.000 0.234 78 N C 1.092 176.597 175.510 -0.007 0.000 1.282 78 N CA 0.063 53.107 53.050 -0.009 0.000 0.877 78 N CB 1.359 39.838 38.487 -0.012 0.000 1.184 78 N HN -0.001 nan 8.380 nan 0.000 0.510 79 V N 1.345 121.254 119.914 -0.008 0.000 2.343 79 V HA -0.194 3.921 4.120 -0.008 0.000 0.247 79 V C 2.376 178.479 176.094 0.014 0.000 1.051 79 V CA 1.623 63.922 62.300 -0.001 0.000 1.036 79 V CB -0.310 31.515 31.823 0.002 0.000 0.654 79 V HN 0.258 nan 8.190 nan 0.000 0.451 80 R N -0.243 120.261 120.500 0.006 0.000 2.096 80 R HA -0.137 4.198 4.340 -0.008 0.000 0.235 80 R C 2.411 178.713 176.300 0.003 0.000 1.127 80 R CA 1.899 58.001 56.100 0.004 0.000 0.968 80 R CB -0.708 29.590 30.300 -0.004 0.000 0.861 80 R HN 0.497 nan 8.270 nan 0.000 0.440 81 T N 1.765 116.324 114.554 0.008 0.000 2.777 81 T HA -0.108 4.237 4.350 -0.008 0.000 0.266 81 T C 1.740 176.459 174.700 0.032 0.000 1.040 81 T CA 0.934 63.043 62.100 0.015 0.000 1.141 81 T CB -0.199 68.680 68.868 0.020 0.000 0.868 81 T HN 0.081 nan 8.240 nan 0.000 0.444 82 L N 1.489 122.739 121.223 0.045 0.000 1.989 82 L HA -0.152 4.183 4.340 -0.008 0.000 0.211 82 L C 2.379 179.366 176.870 0.194 0.000 1.071 82 L CA 1.859 56.761 54.840 0.102 0.000 0.749 82 L CB -0.697 41.381 42.059 0.031 0.000 0.890 82 L HN 0.257 nan 8.230 nan 0.000 0.431 83 Q N -0.909 118.966 119.800 0.125 0.000 2.297 83 Q HA -0.051 4.284 4.340 -0.008 0.000 0.204 83 Q C 2.146 178.112 176.000 -0.057 0.000 0.962 83 Q CA 1.084 56.939 55.803 0.087 0.000 0.879 83 Q CB -0.247 28.530 28.738 0.066 0.000 0.947 83 Q HN 0.701 nan 8.270 nan 0.000 0.462 84 A N 1.522 124.284 122.820 -0.095 0.000 1.929 84 A HA -0.126 4.190 4.320 -0.008 0.000 0.216 84 A C 1.702 178.994 177.584 -0.486 0.000 1.176 84 A CA 1.052 52.922 52.037 -0.277 0.000 0.628 84 A CB -0.141 18.740 19.000 -0.199 0.000 0.816 84 A HN 0.230 nan 8.150 nan 0.000 0.444 85 N N -0.275 118.325 118.700 -0.166 0.000 2.409 85 N HA -0.054 4.681 4.740 -0.008 0.000 0.179 85 N C 1.500 177.057 175.510 0.078 0.000 1.032 85 N CA 0.924 53.975 53.050 0.002 0.000 0.898 85 N CB -0.337 38.234 38.487 0.140 0.000 0.971 85 N HN 0.447 nan 8.380 nan 0.000 0.441 86 L N 0.809 122.019 121.223 -0.023 0.000 1.994 86 L HA -0.071 4.264 4.340 -0.008 0.000 0.208 86 L C 1.872 178.482 176.870 -0.433 0.000 1.071 86 L CA 1.463 56.141 54.840 -0.270 0.000 0.745 86 L CB -0.706 40.984 42.059 -0.615 0.000 0.892 86 L HN -0.125 nan 8.230 nan 0.000 0.431 87 V N -0.247 119.466 119.914 -0.335 0.000 2.407 87 V HA -0.334 3.781 4.120 -0.008 0.000 0.248 87 V C 2.382 178.353 176.094 -0.206 0.000 1.055 87 V CA 2.185 64.305 62.300 -0.299 0.000 1.049 87 V CB -1.051 30.623 31.823 -0.247 0.000 0.662 87 V HN 0.628 nan 8.190 nan 0.000 0.455 88 H N -0.394 118.579 119.070 -0.161 0.000 2.276 88 H HA -0.165 4.386 4.556 -0.008 0.000 0.301 88 H C 2.385 177.652 175.328 -0.101 0.000 1.073 88 H CA 1.619 57.603 56.048 -0.107 0.000 1.311 88 H CB -0.209 29.539 29.762 -0.023 0.000 1.379 88 H HN 0.650 nan 8.280 nan 0.000 0.494 89 H N 0.665 119.763 119.070 0.046 0.000 2.491 89 H HA -0.050 4.501 4.556 -0.010 0.000 0.290 89 H C 1.864 177.164 175.328 -0.046 0.000 1.050 89 H CA 0.829 56.875 56.048 -0.002 0.000 1.309 89 H CB -0.260 29.505 29.762 0.005 0.000 1.392 89 H HN 0.333 nan 8.280 nan 0.000 0.554 90 L N 0.900 121.773 121.223 -0.582 0.000 2.418 90 L HA 0.132 4.467 4.340 -0.008 0.000 0.218 90 L C 1.954 178.671 176.870 -0.255 0.000 1.125 90 L CA 0.402 54.977 54.840 -0.442 0.000 0.835 90 L CB -0.110 41.629 42.059 -0.532 0.000 0.953 90 L HN 0.263 nan 8.230 nan 0.000 0.454 91 A N 0.110 122.749 122.820 -0.301 0.000 2.958 91 A HA 0.121 4.436 4.320 -0.008 0.000 0.247 91 A C 1.279 178.801 177.584 -0.103 0.000 1.679 91 A CA 0.337 52.066 52.037 -0.513 0.000 1.345 91 A CB -0.675 17.972 19.000 -0.588 0.000 1.013 91 A HN 0.369 nan 8.150 nan 0.000 0.641 92 S N -0.687 115.057 115.700 0.072 0.000 2.574 92 S HA 0.378 4.843 4.470 -0.008 0.000 0.242 92 S C 0.861 175.560 174.600 0.165 0.000 0.982 92 S CA 0.066 58.337 58.200 0.118 0.000 0.977 92 S CB 0.024 63.261 63.200 0.062 0.000 0.814 92 S HN 0.729 nan 8.310 nan 0.000 0.464 93 G N 1.465 110.470 108.800 0.342 0.000 2.544 93 G HA2 0.505 4.460 3.960 -0.008 0.000 0.242 93 G HA3 0.505 4.460 3.960 -0.008 0.000 0.242 93 G C -0.159 174.705 174.900 -0.059 0.000 1.247 93 G CA 0.071 45.204 45.100 0.055 0.000 0.840 93 G HN 1.045 nan 8.290 nan 0.000 0.578 94 V N -0.937 118.938 119.914 -0.066 0.000 3.182 94 V HA 1.031 5.146 4.120 -0.008 0.000 0.308 94 V C 0.542 176.599 176.094 -0.062 0.000 1.240 94 V CA -0.081 62.184 62.300 -0.058 0.000 1.063 94 V CB 1.126 32.936 31.823 -0.021 0.000 1.076 94 V HN 2.554 nan 8.190 nan 0.000 0.446 95 G N 0.817 109.588 108.800 -0.048 0.000 2.712 95 G HA2 0.051 4.006 3.960 -0.008 0.000 0.683 95 G HA3 0.051 4.006 3.960 -0.008 0.000 0.683 95 G C -3.025 171.849 174.900 -0.043 0.000 1.320 95 G CA -0.355 44.722 45.100 -0.037 0.000 0.847 95 G HN 1.009 nan 8.290 nan 0.000 0.553 96 P HA 0.372 nan 4.420 nan 0.000 0.265 96 P C 0.814 178.096 177.300 -0.030 0.000 1.187 96 P CA 0.144 63.233 63.100 -0.020 0.000 0.766 96 P CB 0.694 32.392 31.700 -0.004 0.000 0.820 97 V N 1.944 121.841 119.914 -0.028 0.000 3.051 97 V HA 0.148 4.263 4.120 -0.008 0.000 0.306 97 V C 0.279 176.367 176.094 -0.011 0.000 1.083 97 V CA -0.554 61.724 62.300 -0.036 0.000 1.104 97 V CB -0.256 31.551 31.823 -0.026 0.000 1.027 97 V HN 0.248 nan 8.190 nan 0.000 0.483 98 L N 2.769 123.982 121.223 -0.017 0.000 2.461 98 L HA 0.256 4.592 4.340 -0.008 0.000 0.272 98 L C 0.655 177.544 176.870 0.032 0.000 1.197 98 L CA -0.225 54.616 54.840 0.002 0.000 0.836 98 L CB 0.202 42.252 42.059 -0.015 0.000 1.105 98 L HN 1.030 nan 8.230 nan 0.000 0.477 99 D N 0.157 120.591 120.400 0.058 0.000 2.378 99 D HA -0.135 4.500 4.640 -0.008 0.000 0.238 99 D C 0.741 177.130 176.300 0.148 0.000 1.180 99 D CA -0.395 53.673 54.000 0.113 0.000 0.895 99 D CB 0.530 41.402 40.800 0.121 0.000 1.192 99 D HN 0.547 nan 8.370 nan 0.000 0.438 100 W N 1.353 122.657 121.300 0.007 0.000 2.290 100 W HA -0.312 4.344 4.660 -0.007 0.000 0.323 100 W C 2.188 178.702 176.519 -0.008 0.000 1.260 100 W CA 2.782 60.132 57.345 0.007 0.000 1.266 100 W CB -0.829 28.637 29.460 0.011 0.000 1.149 100 W HN 0.458 nan 8.180 nan 0.000 0.482 101 T N -0.371 114.295 114.554 0.186 0.000 2.746 101 T HA -0.198 4.147 4.350 -0.008 0.000 0.267 101 T C 1.566 176.179 174.700 -0.145 0.000 1.039 101 T CA 2.226 64.285 62.100 -0.068 0.000 1.142 101 T CB -0.847 68.082 68.868 0.102 0.000 0.866 101 T HN 0.189 nan 8.240 nan 0.000 0.444 102 T N 1.960 116.490 114.554 -0.040 0.000 2.777 102 T HA 0.036 4.381 4.350 -0.008 0.000 0.266 102 T C 2.443 177.093 174.700 -0.084 0.000 1.040 102 T CA 1.061 63.138 62.100 -0.038 0.000 1.141 102 T CB -0.531 68.344 68.868 0.013 0.000 0.868 102 T HN 0.422 nan 8.240 nan 0.000 0.444 103 A N 1.909 124.667 122.820 -0.102 0.000 1.908 103 A HA -0.143 4.173 4.320 -0.008 0.000 0.218 103 A C 2.371 179.850 177.584 -0.176 0.000 1.181 103 A CA 1.537 53.502 52.037 -0.120 0.000 0.627 103 A CB -0.508 18.424 19.000 -0.113 0.000 0.818 103 A HN 0.413 nan 8.150 nan 0.000 0.445 104 R N -0.581 119.745 120.500 -0.290 0.000 2.115 104 R HA -0.019 4.316 4.340 -0.008 0.000 0.230 104 R C 2.405 178.571 176.300 -0.223 0.000 1.111 104 R CA 1.069 56.975 56.100 -0.323 0.000 0.976 104 R CB -0.426 29.536 30.300 -0.563 0.000 0.870 104 R HN 0.517 nan 8.270 nan 0.000 0.445 105 A N 1.095 123.800 122.820 -0.193 0.000 1.933 105 A HA -0.180 4.135 4.320 -0.008 0.000 0.218 105 A C 2.112 179.639 177.584 -0.095 0.000 1.175 105 A CA 1.290 53.248 52.037 -0.132 0.000 0.628 105 A CB -0.434 18.510 19.000 -0.093 0.000 0.814 105 A HN 0.327 nan 8.150 nan 0.000 0.444 106 M N -0.304 119.243 119.600 -0.088 0.000 2.132 106 M HA -0.111 4.364 4.480 -0.008 0.000 0.263 106 M C 1.859 178.119 176.300 -0.068 0.000 1.065 106 M CA 1.885 57.146 55.300 -0.065 0.000 1.122 106 M CB -0.205 32.361 32.600 -0.057 0.000 1.365 106 M HN 0.190 nan 8.290 nan 0.000 0.411 107 V N 1.082 120.945 119.914 -0.085 0.000 2.343 107 V HA -0.270 3.845 4.120 -0.008 0.000 0.247 107 V C 2.402 178.454 176.094 -0.070 0.000 1.051 107 V CA 1.692 63.948 62.300 -0.074 0.000 1.036 107 V CB -0.919 30.853 31.823 -0.085 0.000 0.654 107 V HN 0.588 nan 8.190 nan 0.000 0.451 108 L N 0.892 122.063 121.223 -0.086 0.000 2.093 108 L HA -0.031 4.304 4.340 -0.008 0.000 0.208 108 L C 2.406 179.237 176.870 -0.065 0.000 1.085 108 L CA 2.272 57.065 54.840 -0.079 0.000 0.755 108 L CB -0.870 41.131 42.059 -0.096 0.000 0.904 108 L HN 0.202 nan 8.230 nan 0.000 0.435 109 A N -0.428 122.355 122.820 -0.062 0.000 1.933 109 A HA -0.224 4.091 4.320 -0.008 0.000 0.218 109 A C 2.441 179.999 177.584 -0.042 0.000 1.175 109 A CA 1.656 53.661 52.037 -0.052 0.000 0.628 109 A CB -0.558 18.414 19.000 -0.046 0.000 0.814 109 A HN 0.479 nan 8.150 nan 0.000 0.444 110 R N -0.603 119.875 120.500 -0.038 0.000 2.075 110 R HA -0.054 4.281 4.340 -0.008 0.000 0.232 110 R C 1.928 178.212 176.300 -0.025 0.000 1.126 110 R CA 1.510 57.594 56.100 -0.027 0.000 0.963 110 R CB -0.684 29.601 30.300 -0.026 0.000 0.858 110 R HN 0.420 nan 8.270 nan 0.000 0.435 111 L N -0.048 121.156 121.223 -0.033 0.000 2.017 111 L HA -0.109 4.226 4.340 -0.008 0.000 0.208 111 L C 1.939 178.791 176.870 -0.030 0.000 1.073 111 L CA 1.674 56.496 54.840 -0.030 0.000 0.745 111 L CB -0.559 41.478 42.059 -0.037 0.000 0.894 111 L HN 0.080 nan 8.230 nan 0.000 0.432 112 V N -1.017 118.874 119.914 -0.040 0.000 2.407 112 V HA -0.282 3.833 4.120 -0.008 0.000 0.248 112 V C 2.773 178.848 176.094 -0.032 0.000 1.055 112 V CA 1.812 64.086 62.300 -0.043 0.000 1.049 112 V CB -0.877 30.908 31.823 -0.062 0.000 0.662 112 V HN 0.646 nan 8.190 nan 0.000 0.455 113 S N -0.322 115.362 115.700 -0.028 0.000 2.356 113 S HA -0.153 4.312 4.470 -0.008 0.000 0.223 113 S C 1.925 176.522 174.600 -0.005 0.000 1.032 113 S CA 1.727 59.917 58.200 -0.018 0.000 1.005 113 S CB -0.347 62.845 63.200 -0.014 0.000 0.867 113 S HN 0.527 nan 8.310 nan 0.000 0.449 114 I N 1.658 122.226 120.570 -0.003 0.000 2.286 114 I HA -0.151 4.014 4.170 -0.008 0.000 0.248 114 I C 2.643 178.763 176.117 0.005 0.000 1.115 114 I CA 1.051 62.355 61.300 0.008 0.000 1.392 114 I CB -0.480 37.521 38.000 0.003 0.000 1.065 114 I HN 0.372 nan 8.210 nan 0.000 0.418 115 A N 0.014 122.831 122.820 -0.005 0.000 2.178 115 A HA -0.184 4.131 4.320 -0.008 0.000 0.218 115 A C 2.051 179.636 177.584 0.001 0.000 1.157 115 A CA 1.113 53.147 52.037 -0.006 0.000 0.689 115 A CB -0.304 18.688 19.000 -0.013 0.000 0.787 115 A HN 0.398 nan 8.150 nan 0.000 0.465 116 Q N -1.168 118.635 119.800 0.004 0.000 2.435 116 Q HA 0.098 4.433 4.340 -0.008 0.000 0.207 116 Q C 1.231 177.241 176.000 0.017 0.000 0.956 116 Q CA 0.756 56.564 55.803 0.008 0.000 0.917 116 Q CB -0.487 28.253 28.738 0.004 0.000 0.997 116 Q HN 1.017 nan 8.270 nan 0.000 0.497 117 G N 0.566 109.379 108.800 0.023 0.000 2.212 117 G HA2 -0.212 3.743 3.960 -0.008 0.000 0.255 117 G HA3 -0.212 3.743 3.960 -0.008 0.000 0.255 117 G C 0.458 175.395 174.900 0.061 0.000 1.062 117 G CA 0.425 45.545 45.100 0.034 0.000 0.815 117 G HN 0.517 nan 8.290 nan 0.000 0.497 118 A N -1.063 121.805 122.820 0.079 0.000 2.635 118 A HA 0.729 5.044 4.320 -0.008 0.000 0.279 118 A C 1.625 179.331 177.584 0.203 0.000 1.122 118 A CA 1.358 53.469 52.037 0.124 0.000 0.965 118 A CB 0.291 19.323 19.000 0.053 0.000 1.221 118 A HN 0.759 nan 8.150 nan 0.000 0.566 119 S N -1.202 114.615 115.700 0.195 0.000 2.502 119 S HA 0.369 4.834 4.470 -0.008 0.000 0.215 119 S C 1.545 176.332 174.600 0.312 0.000 1.009 119 S CA 0.729 59.072 58.200 0.238 0.000 0.908 119 S CB 0.438 63.707 63.200 0.115 0.000 0.801 119 S HN 1.668 nan 8.310 nan 0.000 0.505 120 G N 1.875 110.774 108.800 0.165 0.000 2.159 120 G HA2 -0.225 3.730 3.960 -0.008 0.000 0.256 120 G HA3 -0.225 3.730 3.960 -0.008 0.000 0.256 120 G C 0.233 175.123 174.900 -0.016 0.000 0.977 120 G CA 0.005 45.093 45.100 -0.019 0.000 0.652 120 G HN 0.897 nan 8.290 nan 0.000 0.531 121 A N 0.462 123.292 122.820 0.017 0.000 2.540 121 A HA 0.591 4.906 4.320 -0.008 0.000 0.239 121 A C 1.173 178.716 177.584 -0.069 0.000 1.061 121 A CA 1.094 53.123 52.037 -0.014 0.000 0.758 121 A CB 0.173 19.171 19.000 -0.004 0.000 0.991 121 A HN 2.058 nan 8.150 nan 0.000 0.502 122 S N 1.699 117.323 115.700 -0.127 0.000 2.614 122 S HA 0.183 4.648 4.470 -0.008 0.000 0.265 122 S C 0.730 175.223 174.600 -0.179 0.000 1.303 122 S CA 0.130 58.183 58.200 -0.246 0.000 1.000 122 S CB 0.690 63.543 63.200 -0.579 0.000 0.935 122 S HN 0.713 nan 8.310 nan 0.000 0.551 123 E N 1.422 121.516 120.200 -0.177 0.000 2.118 123 E HA -0.104 4.241 4.350 -0.008 0.000 0.195 123 E C 2.116 178.660 176.600 -0.093 0.000 0.992 123 E CA 1.159 57.495 56.400 -0.107 0.000 0.804 123 E CB -0.733 28.917 29.700 -0.084 0.000 0.741 123 E HN 0.898 nan 8.360 nan 0.000 0.458 124 G N 0.623 109.348 108.800 -0.126 0.000 2.418 124 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.217 124 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.217 124 G C 1.642 176.512 174.900 -0.051 0.000 1.158 124 G CA 1.253 46.310 45.100 -0.072 0.000 0.771 124 G HN 0.181 nan 8.290 nan 0.000 0.545 125 T N 1.364 115.877 114.554 -0.068 0.000 2.746 125 T HA -0.062 4.283 4.350 -0.008 0.000 0.267 125 T C 2.387 177.069 174.700 -0.030 0.000 1.039 125 T CA 1.018 63.096 62.100 -0.037 0.000 1.142 125 T CB -0.170 68.675 68.868 -0.038 0.000 0.866 125 T HN 0.240 nan 8.240 nan 0.000 0.444 126 I N 1.283 121.830 120.570 -0.039 0.000 2.226 126 I HA -0.192 3.973 4.170 -0.008 0.000 0.245 126 I C 2.900 179.002 176.117 -0.025 0.000 1.100 126 I CA 1.105 62.386 61.300 -0.030 0.000 1.374 126 I CB -0.471 37.508 38.000 -0.034 0.000 1.057 126 I HN 0.194 nan 8.210 nan 0.000 0.413 127 A N 0.732 123.537 122.820 -0.026 0.000 1.933 127 A HA -0.187 4.128 4.320 -0.008 0.000 0.218 127 A C 2.330 179.908 177.584 -0.010 0.000 1.175 127 A CA 1.318 53.344 52.037 -0.018 0.000 0.628 127 A CB -0.405 18.584 19.000 -0.019 0.000 0.814 127 A HN 0.258 nan 8.150 nan 0.000 0.444 128 R N -0.241 120.256 120.500 -0.005 0.000 2.092 128 R HA -0.017 4.318 4.340 -0.008 0.000 0.231 128 R C 2.022 178.328 176.300 0.010 0.000 1.119 128 R CA 1.151 57.256 56.100 0.009 0.000 0.970 128 R CB -0.968 29.343 30.300 0.018 0.000 0.864 128 R HN 0.601 nan 8.270 nan 0.000 0.440 129 L N 0.115 121.337 121.223 -0.003 0.000 2.044 129 L HA -0.078 4.257 4.340 -0.008 0.000 0.205 129 L C 2.480 179.339 176.870 -0.017 0.000 1.075 129 L CA 1.077 55.910 54.840 -0.010 0.000 0.747 129 L CB -0.458 41.590 42.059 -0.020 0.000 0.903 129 L HN 0.056 nan 8.230 nan 0.000 0.435 130 I N -0.009 120.550 120.570 -0.018 0.000 2.226 130 I HA -0.288 3.877 4.170 -0.008 0.000 0.245 130 I C 2.133 178.241 176.117 -0.016 0.000 1.100 130 I CA 1.190 62.477 61.300 -0.021 0.000 1.374 130 I CB -0.417 37.572 38.000 -0.019 0.000 1.057 130 I HN 0.271 nan 8.210 nan 0.000 0.413 131 D N 0.794 121.188 120.400 -0.009 0.000 2.123 131 D HA -0.176 4.459 4.640 -0.008 0.000 0.196 131 D C 2.145 178.442 176.300 -0.005 0.000 0.992 131 D CA 0.966 54.962 54.000 -0.007 0.000 0.833 131 D CB -0.338 40.459 40.800 -0.005 0.000 0.954 131 D HN 0.168 nan 8.370 nan 0.000 0.455 132 L N 0.909 122.135 121.223 0.004 0.000 1.989 132 L HA -0.149 4.186 4.340 -0.008 0.000 0.211 132 L C 2.211 179.070 176.870 -0.019 0.000 1.071 132 L CA 1.425 56.275 54.840 0.016 0.000 0.749 132 L CB -0.960 41.126 42.059 0.044 0.000 0.890 132 L HN 0.086 nan 8.230 nan 0.000 0.431 133 L N 0.187 121.384 121.223 -0.042 0.000 2.131 133 L HA -0.223 4.112 4.340 -0.008 0.000 0.210 133 L C 1.973 178.818 176.870 -0.040 0.000 1.092 133 L CA 1.041 55.837 54.840 -0.072 0.000 0.759 133 L CB -0.602 41.412 42.059 -0.075 0.000 0.903 133 L HN 0.384 nan 8.230 nan 0.000 0.435 134 N N -0.444 118.246 118.700 -0.017 0.000 2.467 134 N HA -0.020 4.715 4.740 -0.008 0.000 0.184 134 N C 0.919 176.442 175.510 0.021 0.000 1.106 134 N CA 0.420 53.471 53.050 0.002 0.000 0.892 134 N CB 0.102 38.588 38.487 -0.002 0.000 0.969 134 N HN 0.356 nan 8.380 nan 0.000 0.454 135 S N -0.003 115.712 115.700 0.024 0.000 2.694 135 S HA 0.279 4.744 4.470 -0.008 0.000 0.278 135 S C 0.739 175.413 174.600 0.123 0.000 1.152 135 S CA -0.443 57.784 58.200 0.045 0.000 1.010 135 S CB 1.400 64.609 63.200 0.015 0.000 1.104 135 S HN -0.062 nan 8.310 nan 0.000 0.547 136 E N 0.042 120.339 120.200 0.160 0.000 2.465 136 E HA 0.362 4.707 4.350 -0.008 0.000 0.195 136 E C -0.209 176.681 176.600 0.483 0.000 1.028 136 E CA -0.018 56.565 56.400 0.304 0.000 0.899 136 E CB -0.095 29.688 29.700 0.139 0.000 1.032 136 E HN 0.499 nan 8.360 nan 0.000 0.468 137 L N -0.177 121.256 121.223 0.349 0.000 2.298 137 L HA 0.781 5.116 4.340 -0.008 0.000 0.268 137 L C -0.064 176.945 176.870 0.232 0.000 1.010 137 L CA -1.094 53.983 54.840 0.395 0.000 0.812 137 L CB 1.591 43.750 42.059 0.167 0.000 1.331 137 L HN -0.159 nan 8.230 nan 0.000 0.450 138 A N 0.712 123.686 122.820 0.256 0.000 2.572 138 A HA 0.822 5.137 4.320 -0.008 0.000 0.295 138 A C -2.843 174.826 177.584 0.142 0.000 1.072 138 A CA -1.350 50.687 52.037 0.000 0.000 0.691 138 A CB 1.924 20.719 19.000 -0.342 0.000 1.291 138 A HN 0.360 nan 8.150 nan 0.000 0.404 139 P HA 0.406 nan 4.420 nan 0.000 0.275 139 P C -0.386 176.825 177.300 -0.148 0.000 1.228 139 P CA 0.034 62.987 63.100 -0.245 0.000 0.786 139 P CB 1.337 32.895 31.700 -0.237 0.000 0.927 140 A N 3.193 125.902 122.820 -0.184 0.000 2.316 140 A HA 0.471 4.786 4.320 -0.008 0.000 0.311 140 A C -0.235 177.281 177.584 -0.113 0.000 1.339 140 A CA -0.414 51.568 52.037 -0.092 0.000 0.960 140 A CB -0.303 18.661 19.000 -0.061 0.000 1.152 140 A HN 0.352 nan 8.150 nan 0.000 0.547 141 V N 5.296 125.147 119.914 -0.104 0.000 2.540 141 V HA 0.348 4.463 4.120 -0.008 0.000 0.302 141 V C -2.416 173.574 176.094 -0.173 0.000 1.035 141 V CA -1.867 60.350 62.300 -0.139 0.000 0.873 141 V CB 1.990 33.762 31.823 -0.085 0.000 0.992 141 V HN 0.711 nan 8.190 nan 0.000 0.428 142 P HA 0.077 nan 4.420 nan 0.000 0.266 142 P C 0.748 177.962 177.300 -0.142 0.000 1.195 142 P CA 0.138 63.095 63.100 -0.239 0.000 0.768 142 P CB 0.631 32.108 31.700 -0.371 0.000 0.838 143 S N 2.667 118.317 115.700 -0.084 0.000 2.470 143 S HA 0.047 4.512 4.470 -0.008 0.000 0.225 143 S C 0.680 175.260 174.600 -0.033 0.000 1.006 143 S CA 0.324 58.497 58.200 -0.045 0.000 0.934 143 S CB -0.077 63.109 63.200 -0.023 0.000 0.778 143 S HN 0.330 nan 8.310 nan 0.000 0.517 144 R N -0.153 120.323 120.500 -0.039 0.000 2.668 144 R HA 0.631 4.966 4.340 -0.008 0.000 0.279 144 R C 0.763 177.053 176.300 -0.016 0.000 0.976 144 R CA -0.026 56.062 56.100 -0.020 0.000 0.978 144 R CB 1.523 31.814 30.300 -0.016 0.000 1.133 144 R HN 0.328 nan 8.270 nan 0.000 0.484 145 G N 0.203 109.004 108.800 0.002 0.000 2.901 145 G HA2 -0.213 3.742 3.960 -0.008 0.000 0.194 145 G HA3 -0.213 3.742 3.960 -0.008 0.000 0.194 145 G C 0.079 174.989 174.900 0.017 0.000 1.020 145 G CA -0.071 45.038 45.100 0.014 0.000 0.787 145 G HN 0.603 nan 8.290 nan 0.000 0.477 146 T N 0.806 115.368 114.554 0.013 0.000 2.907 146 T HA 0.527 4.872 4.350 -0.008 0.000 0.284 146 T C 1.428 176.140 174.700 0.020 0.000 1.004 146 T CA 0.466 62.574 62.100 0.013 0.000 1.063 146 T CB 1.627 70.501 68.868 0.009 0.000 0.992 146 T HN 1.146 nan 8.240 nan 0.000 0.483 147 V N 1.393 121.320 119.914 0.023 0.000 3.444 147 V HA 0.601 4.716 4.120 -0.008 0.000 0.308 147 V C 1.171 177.291 176.094 0.044 0.000 1.371 147 V CA 0.169 62.490 62.300 0.035 0.000 1.141 147 V CB -1.334 30.511 31.823 0.037 0.000 1.037 147 V HN 1.367 nan 8.190 nan 0.000 0.433 153 L N -0.309 120.879 121.223 -0.058 0.000 2.017 153 L HA -0.131 4.204 4.340 -0.008 0.000 0.208 153 L C 2.387 179.204 176.870 -0.087 0.000 1.073 153 L CA 1.428 56.212 54.840 -0.094 0.000 0.745 153 L CB -0.578 41.401 42.059 -0.134 0.000 0.894 153 L HN 0.103 nan 8.230 nan 0.000 0.432 154 T N 0.514 115.039 114.554 -0.049 0.000 2.622 154 T HA -0.100 4.245 4.350 -0.008 0.000 0.266 154 T C -0.445 174.315 174.700 0.100 0.000 1.047 154 T CA 1.811 63.915 62.100 0.007 0.000 1.159 154 T CB -1.193 67.703 68.868 0.046 0.000 0.863 154 T HN 0.308 nan 8.240 nan 0.000 0.422 155 P HA 0.007 nan 4.420 nan 0.000 0.218 155 P C 1.595 178.919 177.300 0.039 0.000 1.149 155 P CA 0.994 64.132 63.100 0.064 0.000 0.817 155 P CB -0.229 31.474 31.700 0.005 0.000 0.785 156 L N -0.650 120.569 121.223 -0.008 0.000 2.141 156 L HA -0.085 4.250 4.340 -0.008 0.000 0.209 156 L C 2.792 179.626 176.870 -0.059 0.000 1.094 156 L CA 1.316 56.135 54.840 -0.035 0.000 0.763 156 L CB -1.042 40.989 42.059 -0.046 0.000 0.908 156 L HN -0.054 nan 8.230 nan 0.000 0.437 157 A N -0.886 121.878 122.820 -0.094 0.000 1.902 157 A HA -0.226 4.089 4.320 -0.008 0.000 0.217 157 A C 2.125 179.604 177.584 -0.175 0.000 1.181 157 A CA 1.315 53.248 52.037 -0.174 0.000 0.623 157 A CB -0.731 18.110 19.000 -0.265 0.000 0.818 157 A HN 0.407 nan 8.150 nan 0.000 0.443 158 H N -1.208 117.807 119.070 -0.092 0.000 2.389 158 H HA -0.094 4.456 4.556 -0.009 0.000 0.299 158 H C 2.095 177.355 175.328 -0.114 0.000 1.081 158 H CA 1.735 57.729 56.048 -0.091 0.000 1.345 158 H CB -0.247 29.464 29.762 -0.084 0.000 1.393 158 H HN 0.603 nan 8.280 nan 0.000 0.520 159 M N 0.594 120.195 119.600 0.001 0.000 2.086 159 M HA -0.152 4.323 4.480 -0.008 0.000 0.261 159 M C 2.122 178.376 176.300 -0.076 0.000 1.067 159 M CA 1.314 56.576 55.300 -0.063 0.000 1.116 159 M CB -0.144 32.424 32.600 -0.053 0.000 1.348 159 M HN -0.007 nan 8.290 nan 0.000 0.407 160 V N 1.453 121.328 119.914 -0.066 0.000 2.287 160 V HA -0.320 3.795 4.120 -0.008 0.000 0.248 160 V C 2.477 178.538 176.094 -0.054 0.000 1.053 160 V CA 1.988 64.252 62.300 -0.059 0.000 1.027 160 V CB -0.841 30.937 31.823 -0.076 0.000 0.646 160 V HN 0.555 nan 8.190 nan 0.000 0.447 161 L N -0.846 120.335 121.223 -0.068 0.000 2.042 161 L HA -0.243 4.092 4.340 -0.008 0.000 0.210 161 L C 2.662 179.497 176.870 -0.059 0.000 1.076 161 L CA 1.720 56.531 54.840 -0.048 0.000 0.749 161 L CB -0.820 41.207 42.059 -0.054 0.000 0.893 161 L HN 0.412 nan 8.230 nan 0.000 0.432 162 C N -0.144 119.074 119.300 -0.136 0.000 2.432 162 C HA -0.153 4.302 4.460 -0.008 0.000 0.277 162 C C 2.698 177.587 174.990 -0.168 0.000 1.249 162 C CA 0.441 59.267 59.018 -0.321 0.000 1.725 162 C CB -0.848 26.540 27.740 -0.587 0.000 2.028 162 C HN 0.443 nan 8.230 nan 0.000 0.477 163 L N 0.295 121.491 121.223 -0.046 0.000 2.353 163 L HA -0.173 4.162 4.340 -0.008 0.000 0.220 163 L C 2.399 179.345 176.870 0.125 0.000 1.133 163 L CA 1.288 56.202 54.840 0.123 0.000 0.798 163 L CB -0.615 41.483 42.059 0.065 0.000 0.922 163 L HN 0.530 nan 8.230 nan 0.000 0.445 164 Q N -0.455 119.388 119.800 0.072 0.000 2.360 164 Q HA 0.118 4.453 4.340 -0.008 0.000 0.202 164 Q C 1.324 177.379 176.000 0.093 0.000 0.915 164 Q CA 0.490 56.334 55.803 0.068 0.000 0.943 164 Q CB 0.622 29.382 28.738 0.037 0.000 1.064 164 Q HN 0.546 nan 8.270 nan 0.000 0.511 165 G N 1.776 110.662 108.800 0.144 0.000 2.143 165 G HA2 -0.311 3.644 3.960 -0.008 0.000 0.249 165 G HA3 -0.311 3.644 3.960 -0.008 0.000 0.249 165 G C 0.507 175.473 174.900 0.110 0.000 0.981 165 G CA 0.085 45.290 45.100 0.176 0.000 0.665 165 G HN 0.325 nan 8.290 nan 0.000 0.528 166 R N 0.049 120.587 120.500 0.062 0.000 2.552 166 R HA 0.476 4.811 4.340 -0.008 0.000 0.314 166 R C 0.960 177.267 176.300 0.011 0.000 1.041 166 R CA 0.472 56.594 56.100 0.038 0.000 1.076 166 R CB 0.840 31.161 30.300 0.035 0.000 1.290 166 R HN 0.527 nan 8.270 nan 0.000 0.563 167 G N -0.296 108.495 108.800 -0.015 0.000 2.704 167 G HA2 0.230 4.186 3.960 -0.008 0.000 0.293 167 G HA3 0.230 4.186 3.960 -0.008 0.000 0.293 167 G C -1.481 173.348 174.900 -0.118 0.000 1.421 167 G CA -0.664 44.395 45.100 -0.068 0.000 0.870 167 G HN -0.118 nan 8.290 nan 0.000 0.492 168 D N -0.437 119.908 120.400 -0.091 0.000 2.360 168 D HA 0.558 5.193 4.640 -0.008 0.000 0.242 168 D C -0.459 175.724 176.300 -0.195 0.000 1.184 168 D CA 0.569 54.548 54.000 -0.036 0.000 0.930 168 D CB 0.890 41.696 40.800 0.010 0.000 1.161 168 D HN 0.098 nan 8.370 nan 0.000 0.447 169 F N -0.538 119.438 119.950 0.043 0.000 2.598 169 F HA 0.535 5.057 4.527 -0.008 0.000 0.327 169 F C -0.129 175.719 175.800 0.079 0.000 1.057 169 F CA -0.878 57.156 58.000 0.057 0.000 0.957 169 F CB 1.193 40.227 39.000 0.057 0.000 1.278 169 F HN -0.059 nan 8.300 nan 0.000 0.484 170 L N 1.347 122.778 121.223 0.346 0.000 2.370 170 L HA 0.453 4.788 4.340 -0.008 0.000 0.266 170 L C -1.070 176.021 176.870 0.368 0.000 1.002 170 L CA -1.068 53.949 54.840 0.295 0.000 0.818 170 L CB 1.978 44.212 42.059 0.292 0.000 1.325 170 L HN 0.588 nan 8.230 nan 0.000 0.418 171 D N 0.741 121.257 120.400 0.193 0.000 2.437 171 D HA 0.239 4.874 4.640 -0.008 0.000 0.259 171 D C 0.754 176.885 176.300 -0.281 0.000 1.118 171 D CA -0.677 53.354 54.000 0.052 0.000 1.017 171 D CB 0.916 41.706 40.800 -0.016 0.000 1.120 171 D HN 0.340 nan 8.370 nan 0.000 0.541 172 R N -0.556 119.523 120.500 -0.702 0.000 2.170 172 R HA -0.116 4.219 4.340 -0.008 0.000 0.242 172 R C 0.730 176.693 176.300 -0.561 0.000 1.145 172 R CA 1.523 56.894 56.100 -1.216 0.000 0.984 172 R CB -0.148 29.562 30.300 -0.983 0.000 0.869 172 R HN 0.525 nan 8.270 nan 0.000 0.455 173 D N -1.302 118.923 120.400 -0.292 0.000 2.355 173 D HA 0.034 4.669 4.640 -0.008 0.000 0.218 173 D C 1.215 177.477 176.300 -0.063 0.000 1.004 173 D CA 1.077 54.989 54.000 -0.145 0.000 0.880 173 D CB 0.669 41.409 40.800 -0.100 0.000 0.911 173 D HN 0.464 nan 8.370 nan 0.000 0.528 174 G N 1.461 110.242 108.800 -0.031 0.000 2.175 174 G HA2 -0.267 3.688 3.960 -0.008 0.000 0.244 174 G HA3 -0.267 3.688 3.960 -0.008 0.000 0.244 174 G C 0.639 175.567 174.900 0.046 0.000 0.982 174 G CA 0.478 45.607 45.100 0.047 0.000 0.641 174 G HN 0.426 nan 8.290 nan 0.000 0.527 175 T N -0.360 114.209 114.554 0.025 0.000 2.870 175 T HA 0.597 4.942 4.350 -0.008 0.000 0.300 175 T C 0.575 175.310 174.700 0.059 0.000 0.989 175 T CA -0.317 61.801 62.100 0.030 0.000 1.139 175 T CB 1.388 70.263 68.868 0.012 0.000 0.920 175 T HN 0.456 nan 8.240 nan 0.000 0.537 176 R N 2.209 122.745 120.500 0.059 0.000 2.490 176 R HA 0.529 4.864 4.340 -0.008 0.000 0.278 176 R C -0.338 176.014 176.300 0.085 0.000 1.069 176 R CA -0.530 55.617 56.100 0.079 0.000 1.080 176 R CB 0.637 30.972 30.300 0.058 0.000 1.030 176 R HN 0.627 nan 8.270 nan 0.000 0.491 177 L N 2.219 123.518 121.223 0.127 0.000 2.381 177 L HA 0.286 4.621 4.340 -0.008 0.000 0.268 177 L C 0.218 177.184 176.870 0.160 0.000 0.997 177 L CA -1.102 53.814 54.840 0.127 0.000 0.818 177 L CB 2.050 44.191 42.059 0.136 0.000 1.310 177 L HN 0.709 nan 8.230 nan 0.000 0.416 178 D N 1.374 121.848 120.400 0.123 0.000 2.371 178 D HA 0.008 4.643 4.640 -0.008 0.000 0.242 178 D C 1.055 177.479 176.300 0.207 0.000 1.218 178 D CA 0.009 54.085 54.000 0.126 0.000 0.945 178 D CB 1.450 42.299 40.800 0.081 0.000 1.137 178 D HN 0.618 nan 8.370 nan 0.000 0.464 179 G N 0.135 109.051 108.800 0.194 0.000 2.476 179 G HA2 -0.262 3.693 3.960 -0.008 0.000 0.218 179 G HA3 -0.262 3.693 3.960 -0.008 0.000 0.218 179 G C 1.576 176.613 174.900 0.229 0.000 1.164 179 G CA 1.779 47.050 45.100 0.283 0.000 0.768 179 G HN 0.675 nan 8.290 nan 0.000 0.560 180 A N 0.770 123.664 122.820 0.125 0.000 1.877 180 A HA -0.039 4.276 4.320 -0.008 0.000 0.216 180 A C 2.206 179.812 177.584 0.036 0.000 1.186 180 A CA 2.272 54.351 52.037 0.071 0.000 0.620 180 A CB -0.450 18.579 19.000 0.049 0.000 0.822 180 A HN 0.425 nan 8.150 nan 0.000 0.443 181 E N 0.135 120.361 120.200 0.044 0.000 2.150 181 E HA -0.023 4.322 4.350 -0.008 0.000 0.193 181 E C 1.903 178.468 176.600 -0.057 0.000 0.985 181 E CA 1.502 57.906 56.400 0.007 0.000 0.814 181 E CB -0.762 28.955 29.700 0.029 0.000 0.752 181 E HN 0.396 nan 8.360 nan 0.000 0.466 182 G N 0.689 109.444 108.800 -0.075 0.000 2.404 182 G HA2 -0.205 3.750 3.960 -0.008 0.000 0.215 182 G HA3 -0.205 3.750 3.960 -0.008 0.000 0.215 182 G C 1.582 176.123 174.900 -0.598 0.000 1.174 182 G CA 0.861 45.674 45.100 -0.477 0.000 0.780 182 G HN 0.308 nan 8.290 nan 0.000 0.537 183 L N -0.297 120.716 121.223 -0.350 0.000 2.083 183 L HA -0.017 4.319 4.340 -0.008 0.000 0.209 183 L C 2.940 179.724 176.870 -0.144 0.000 1.083 183 L CA 1.072 55.783 54.840 -0.214 0.000 0.752 183 L CB -0.375 41.655 42.059 -0.048 0.000 0.899 183 L HN 0.183 nan 8.230 nan 0.000 0.433 184 R N 0.478 120.915 120.500 -0.104 0.000 2.055 184 R HA -0.165 4.170 4.340 -0.008 0.000 0.228 184 R C 2.521 178.774 176.300 -0.078 0.000 1.143 184 R CA 1.484 57.544 56.100 -0.068 0.000 0.945 184 R CB -0.156 30.120 30.300 -0.040 0.000 0.841 184 R HN 0.170 nan 8.270 nan 0.000 0.429 185 R N -0.483 119.962 120.500 -0.092 0.000 2.096 185 R HA -0.089 4.246 4.340 -0.008 0.000 0.235 185 R C 1.910 178.156 176.300 -0.090 0.000 1.127 185 R CA 1.778 57.832 56.100 -0.078 0.000 0.968 185 R CB -0.460 29.798 30.300 -0.070 0.000 0.861 185 R HN 0.391 nan 8.270 nan 0.000 0.440 186 G N -0.336 108.374 108.800 -0.150 0.000 2.920 186 G HA2 -0.075 3.880 3.960 -0.008 0.000 0.208 186 G HA3 -0.075 3.880 3.960 -0.008 0.000 0.208 186 G C -0.121 174.721 174.900 -0.097 0.000 1.159 186 G CA -0.304 44.715 45.100 -0.135 0.000 0.784 186 G HN 0.246 nan 8.290 nan 0.000 0.535 187 R N -1.038 119.410 120.500 -0.086 0.000 3.333 187 R HA -0.138 4.197 4.340 -0.008 0.000 0.256 187 R C -0.341 175.927 176.300 -0.054 0.000 1.010 187 R CA 0.520 56.587 56.100 -0.056 0.000 0.680 187 R CB -2.628 27.650 30.300 -0.037 0.000 1.102 187 R HN 0.408 nan 8.270 nan 0.000 0.440 188 L N 0.584 121.762 121.223 -0.076 0.000 2.352 188 L HA 0.378 4.713 4.340 -0.008 0.000 0.269 188 L C 0.908 177.763 176.870 -0.025 0.000 1.034 188 L CA -0.891 53.917 54.840 -0.053 0.000 0.806 188 L CB 1.218 43.228 42.059 -0.082 0.000 1.244 188 L HN -0.079 nan 8.230 nan 0.000 0.447 189 Q N 2.231 122.029 119.800 -0.003 0.000 2.230 189 Q HA 0.393 4.728 4.340 -0.008 0.000 0.253 189 Q C -2.343 173.675 176.000 0.030 0.000 0.919 189 Q CA -1.938 53.871 55.803 0.011 0.000 0.908 189 Q CB 1.537 30.281 28.738 0.010 0.000 1.245 189 Q HN 0.299 nan 8.270 nan 0.000 0.437 190 P HA 0.019 nan 4.420 nan 0.000 0.271 190 P C -0.263 177.065 177.300 0.047 0.000 1.220 190 P CA -0.529 62.603 63.100 0.053 0.000 0.768 190 P CB 0.582 32.311 31.700 0.048 0.000 0.848 191 L N 3.396 124.651 121.223 0.053 0.000 2.513 191 L HA 0.150 4.485 4.340 -0.008 0.000 0.272 191 L C -0.074 176.817 176.870 0.036 0.000 1.187 191 L CA 0.672 55.535 54.840 0.039 0.000 0.895 191 L CB -0.614 41.466 42.059 0.034 0.000 1.147 191 L HN 0.308 nan 8.230 nan 0.000 0.483 192 D N 4.498 124.922 120.400 0.041 0.000 2.408 192 D HA 0.261 4.896 4.640 -0.008 0.000 0.243 192 D C -0.130 176.211 176.300 0.067 0.000 1.075 192 D CA -0.206 53.825 54.000 0.050 0.000 0.832 192 D CB 0.854 41.691 40.800 0.061 0.000 1.162 192 D HN 0.614 nan 8.370 nan 0.000 0.515 193 L N 3.228 124.481 121.223 0.051 0.000 2.912 193 L HA 0.124 4.459 4.340 -0.008 0.000 0.240 193 L C 1.822 178.732 176.870 0.066 0.000 1.262 193 L CA -0.158 54.717 54.840 0.058 0.000 1.058 193 L CB -0.185 41.887 42.059 0.021 0.000 1.383 193 L HN 0.408 nan 8.230 nan 0.000 0.512 194 S N -2.078 113.665 115.700 0.070 0.000 2.419 194 S HA -0.210 4.255 4.470 -0.008 0.000 0.233 194 S C 1.432 175.995 174.600 -0.061 0.000 1.016 194 S CA 0.940 59.133 58.200 -0.012 0.000 0.974 194 S CB -0.447 62.713 63.200 -0.066 0.000 0.786 194 S HN 0.531 nan 8.310 nan 0.000 0.492 195 H N 1.701 120.767 119.070 -0.007 0.000 2.553 195 H HA 0.358 4.909 4.556 -0.008 0.000 0.269 195 H C 0.505 175.827 175.328 -0.010 0.000 1.011 195 H CA 0.305 56.345 56.048 -0.012 0.000 1.150 195 H CB -0.221 29.531 29.762 -0.017 0.000 1.339 195 H HN 0.373 nan 8.280 nan 0.000 0.604 196 R N 0.824 121.376 120.500 0.086 0.000 3.525 196 R HA -0.142 4.193 4.340 -0.008 0.000 0.276 196 R C -0.710 175.638 176.300 0.081 0.000 1.116 196 R CA 0.871 57.010 56.100 0.065 0.000 0.745 196 R CB -1.803 28.523 30.300 0.043 0.000 1.185 196 R HN 0.537 nan 8.270 nan 0.000 0.454 197 D N -0.939 119.512 120.400 0.085 0.000 2.525 197 D HA 0.233 4.868 4.640 -0.008 0.000 0.229 197 D C 1.257 177.596 176.300 0.065 0.000 1.202 197 D CA 0.316 54.362 54.000 0.077 0.000 0.828 197 D CB 0.320 41.151 40.800 0.051 0.000 1.008 197 D HN 0.291 nan 8.370 nan 0.000 0.493 198 A N 0.738 123.592 122.820 0.057 0.000 1.940 198 A HA -0.122 4.193 4.320 -0.008 0.000 0.219 198 A C 2.191 179.792 177.584 0.028 0.000 1.176 198 A CA 0.823 52.875 52.037 0.024 0.000 0.631 198 A CB -0.698 18.304 19.000 0.004 0.000 0.814 198 A HN 0.372 nan 8.150 nan 0.000 0.446 199 L N -0.962 120.308 121.223 0.079 0.000 2.353 199 L HA -0.169 4.166 4.340 -0.008 0.000 0.220 199 L C 2.831 179.752 176.870 0.085 0.000 1.133 199 L CA 0.698 55.597 54.840 0.098 0.000 0.798 199 L CB -0.426 41.739 42.059 0.177 0.000 0.922 199 L HN 0.462 nan 8.230 nan 0.000 0.445 200 A N -0.365 122.505 122.820 0.083 0.000 2.067 200 A HA 0.000 4.315 4.320 -0.008 0.000 0.217 200 A C 2.144 179.746 177.584 0.030 0.000 1.156 200 A CA 0.906 52.984 52.037 0.069 0.000 0.683 200 A CB -0.150 18.891 19.000 0.068 0.000 0.808 200 A HN 0.394 nan 8.150 nan 0.000 0.455 201 L N -1.085 120.146 121.223 0.012 0.000 2.316 201 L HA 0.113 4.448 4.340 -0.008 0.000 0.207 201 L C 0.081 176.935 176.870 -0.027 0.000 1.070 201 L CA 0.244 55.077 54.840 -0.011 0.000 0.820 201 L CB 0.202 42.249 42.059 -0.020 0.000 0.992 201 L HN 0.045 nan 8.230 nan 0.000 0.466 202 V N 2.083 121.974 119.914 -0.038 0.000 2.247 202 V HA 0.374 4.489 4.120 -0.008 0.000 0.262 202 V C -0.487 175.584 176.094 -0.038 0.000 1.096 202 V CA -0.203 62.056 62.300 -0.068 0.000 0.895 202 V CB -0.147 31.597 31.823 -0.133 0.000 1.141 202 V HN 0.339 nan 8.190 nan 0.000 0.478 203 N N 2.168 120.858 118.700 -0.017 0.000 3.545 203 N HA 0.487 5.222 4.740 -0.008 0.000 0.227 203 N C -0.136 175.393 175.510 0.032 0.000 1.380 203 N CA 0.599 53.659 53.050 0.016 0.000 0.892 203 N CB 2.178 40.693 38.487 0.046 0.000 1.441 203 N HN 0.798 nan 8.380 nan 0.000 0.497 204 G N -0.003 108.846 108.800 0.082 0.000 2.698 204 G HA2 -0.231 3.724 3.960 -0.008 0.000 0.233 204 G HA3 -0.231 3.724 3.960 -0.008 0.000 0.233 204 G C 0.190 175.131 174.900 0.068 0.000 1.352 204 G CA 0.433 45.585 45.100 0.087 0.000 0.879 204 G HN 1.242 nan 8.290 nan 0.000 0.567 205 T N -2.957 111.624 114.554 0.045 0.000 3.258 205 T HA 0.565 4.910 4.350 -0.008 0.000 0.263 205 T C 1.803 176.507 174.700 0.006 0.000 0.983 205 T CA 0.946 63.065 62.100 0.031 0.000 0.907 205 T CB 0.418 69.302 68.868 0.027 0.000 1.096 205 T HN 0.843 nan 8.240 nan 0.000 0.556 206 S N 1.642 117.342 115.700 -0.001 0.000 2.383 206 S HA -0.067 4.398 4.470 -0.008 0.000 0.229 206 S C 2.465 177.054 174.600 -0.017 0.000 1.030 206 S CA 1.257 59.448 58.200 -0.016 0.000 1.002 206 S CB -0.565 62.623 63.200 -0.021 0.000 0.829 206 S HN 0.836 nan 8.310 nan 0.000 0.467 207 A N 2.636 125.449 122.820 -0.010 0.000 1.855 207 A HA -0.077 4.238 4.320 -0.008 0.000 0.215 207 A C 2.274 179.858 177.584 0.000 0.000 1.191 207 A CA 1.724 53.755 52.037 -0.009 0.000 0.613 207 A CB -0.775 18.221 19.000 -0.006 0.000 0.829 207 A HN 0.660 nan 8.150 nan 0.000 0.442 208 M N -1.516 118.088 119.600 0.008 0.000 2.229 208 M HA -0.070 4.405 4.480 -0.008 0.000 0.264 208 M C 1.759 178.065 176.300 0.010 0.000 1.063 208 M CA 2.217 57.526 55.300 0.016 0.000 1.114 208 M CB -1.257 31.355 32.600 0.021 0.000 1.387 208 M HN 0.158 nan 8.290 nan 0.000 0.420 209 T N 1.182 115.733 114.554 -0.005 0.000 2.777 209 T HA 0.017 4.362 4.350 -0.008 0.000 0.266 209 T C 1.990 176.685 174.700 -0.009 0.000 1.040 209 T CA 1.604 63.692 62.100 -0.019 0.000 1.141 209 T CB -0.704 68.144 68.868 -0.033 0.000 0.868 209 T HN 0.710 nan 8.240 nan 0.000 0.444 210 G N 1.372 110.165 108.800 -0.012 0.000 2.404 210 G HA2 -0.110 3.845 3.960 -0.008 0.000 0.215 210 G HA3 -0.110 3.845 3.960 -0.008 0.000 0.215 210 G C 1.530 176.439 174.900 0.016 0.000 1.174 210 G CA 0.435 45.527 45.100 -0.014 0.000 0.780 210 G HN 0.479 nan 8.290 nan 0.000 0.537 211 I N 1.460 122.045 120.570 0.025 0.000 2.163 211 I HA -0.201 3.964 4.170 -0.008 0.000 0.243 211 I C 3.286 179.452 176.117 0.082 0.000 1.085 211 I CA 1.101 62.431 61.300 0.049 0.000 1.347 211 I CB -0.232 37.795 38.000 0.044 0.000 1.044 211 I HN 0.243 nan 8.210 nan 0.000 0.408 212 A N 1.257 124.129 122.820 0.086 0.000 1.930 212 A HA -0.166 4.149 4.320 -0.008 0.000 0.217 212 A C 2.237 179.926 177.584 0.175 0.000 1.175 212 A CA 1.756 53.884 52.037 0.151 0.000 0.627 212 A CB -0.795 18.271 19.000 0.110 0.000 0.815 212 A HN 0.521 nan 8.150 nan 0.000 0.443 213 L N -2.139 119.149 121.223 0.108 0.000 2.217 213 L HA 0.042 4.377 4.340 -0.008 0.000 0.211 213 L C 1.895 178.871 176.870 0.177 0.000 1.107 213 L CA 1.461 56.372 54.840 0.120 0.000 0.783 213 L CB -0.955 41.140 42.059 0.061 0.000 0.919 213 L HN -0.003 nan 8.230 nan 0.000 0.442 214 V N 0.721 120.737 119.914 0.170 0.000 2.488 214 V HA -0.127 3.988 4.120 -0.008 0.000 0.246 214 V C 2.404 178.619 176.094 0.202 0.000 1.046 214 V CA 1.515 63.956 62.300 0.235 0.000 1.053 214 V CB -0.886 31.041 31.823 0.174 0.000 0.679 214 V HN 0.493 nan 8.190 nan 0.000 0.458 215 N N 1.081 119.873 118.700 0.154 0.000 2.084 215 N HA -0.125 4.610 4.740 -0.008 0.000 0.190 215 N C 1.962 177.524 175.510 0.085 0.000 1.030 215 N CA 1.733 54.849 53.050 0.111 0.000 0.849 215 N CB -0.626 37.908 38.487 0.078 0.000 1.012 215 N HN 0.455 nan 8.380 nan 0.000 0.423 216 A N 0.466 123.359 122.820 0.123 0.000 1.917 216 A HA -0.244 4.071 4.320 -0.008 0.000 0.219 216 A C 2.132 179.739 177.584 0.039 0.000 1.182 216 A CA 2.057 54.151 52.037 0.096 0.000 0.633 216 A CB -0.998 18.120 19.000 0.198 0.000 0.819 216 A HN 0.490 nan 8.150 nan 0.000 0.448 217 H N -0.369 118.670 119.070 -0.051 0.000 2.326 217 H HA 0.096 4.647 4.556 -0.009 0.000 0.301 217 H C 2.216 177.448 175.328 -0.161 0.000 1.081 217 H CA 1.892 57.820 56.048 -0.199 0.000 1.334 217 H CB -0.265 29.254 29.762 -0.405 0.000 1.385 217 H HN 0.393 nan 8.280 nan 0.000 0.504 218 A N -0.326 122.503 122.820 0.016 0.000 1.902 218 A HA -0.178 4.137 4.320 -0.008 0.000 0.217 218 A C 2.701 180.264 177.584 -0.036 0.000 1.181 218 A CA 1.475 53.527 52.037 0.026 0.000 0.623 218 A CB -1.216 17.842 19.000 0.097 0.000 0.818 218 A HN 0.647 nan 8.150 nan 0.000 0.443 219 C N -1.315 117.984 119.300 -0.002 0.000 2.425 219 C HA -0.040 4.415 4.460 -0.008 0.000 0.277 219 C C 2.780 177.746 174.990 -0.041 0.000 1.280 219 C CA 1.138 60.197 59.018 0.068 0.000 1.744 219 C CB -1.318 26.502 27.740 0.133 0.000 1.989 219 C HN 0.739 nan 8.230 nan 0.000 0.491 220 R N -0.052 120.333 120.500 -0.192 0.000 2.083 220 R HA -0.150 4.185 4.340 -0.008 0.000 0.237 220 R C 2.244 178.354 176.300 -0.316 0.000 1.137 220 R CA 1.664 57.575 56.100 -0.314 0.000 0.951 220 R CB -0.420 29.600 30.300 -0.467 0.000 0.851 220 R HN 0.610 nan 8.270 nan 0.000 0.434 221 H N 0.448 119.382 119.070 -0.227 0.000 2.326 221 H HA -0.076 4.476 4.556 -0.008 0.000 0.301 221 H C 2.179 177.486 175.328 -0.036 0.000 1.081 221 H CA 1.643 57.603 56.048 -0.146 0.000 1.334 221 H CB -0.242 29.437 29.762 -0.138 0.000 1.385 221 H HN 0.243 nan 8.280 nan 0.000 0.504 222 L N -0.180 121.006 121.223 -0.061 0.000 2.131 222 L HA -0.086 4.249 4.340 -0.008 0.000 0.210 222 L C 2.748 179.450 176.870 -0.280 0.000 1.092 222 L CA 1.035 55.649 54.840 -0.376 0.000 0.759 222 L CB -0.790 40.628 42.059 -1.069 0.000 0.903 222 L HN 0.295 nan 8.230 nan 0.000 0.435 223 G N -0.002 108.764 108.800 -0.056 0.000 2.418 223 G HA2 -0.256 3.699 3.960 -0.008 0.000 0.217 223 G HA3 -0.256 3.699 3.960 -0.008 0.000 0.217 223 G C 1.409 176.396 174.900 0.146 0.000 1.158 223 G CA 0.561 45.812 45.100 0.253 0.000 0.771 223 G HN 0.312 nan 8.290 nan 0.000 0.545 224 N N 0.107 118.785 118.700 -0.037 0.000 2.166 224 N HA -0.092 4.643 4.740 -0.008 0.000 0.186 224 N C 1.863 177.280 175.510 -0.155 0.000 1.019 224 N CA 0.896 53.867 53.050 -0.132 0.000 0.856 224 N CB -0.326 38.021 38.487 -0.232 0.000 0.993 224 N HN 0.583 nan 8.380 nan 0.000 0.426 225 W N 1.580 122.837 121.300 -0.073 0.000 2.418 225 W HA 0.071 4.725 4.660 -0.009 0.000 0.292 225 W C 2.497 178.996 176.519 -0.033 0.000 1.213 225 W CA 1.032 58.330 57.345 -0.078 0.000 1.283 225 W CB -0.369 28.999 29.460 -0.153 0.000 1.119 225 W HN 0.031 nan 8.180 nan 0.000 0.542 226 A N -0.108 122.838 122.820 0.210 0.000 1.908 226 A HA -0.182 4.133 4.320 -0.008 0.000 0.218 226 A C 1.989 179.663 177.584 0.151 0.000 1.181 226 A CA 2.196 54.375 52.037 0.236 0.000 0.627 226 A CB -1.105 18.133 19.000 0.396 0.000 0.818 226 A HN 0.090 nan 8.150 nan 0.000 0.445 227 V N -0.268 119.720 119.914 0.122 0.000 2.270 227 V HA -0.207 3.908 4.120 -0.008 0.000 0.245 227 V C 3.080 179.160 176.094 -0.024 0.000 1.043 227 V CA 1.902 64.216 62.300 0.023 0.000 1.014 227 V CB -1.301 30.544 31.823 0.037 0.000 0.645 227 V HN 0.613 nan 8.190 nan 0.000 0.447 228 A N -0.171 122.627 122.820 -0.037 0.000 1.908 228 A HA -0.181 4.134 4.320 -0.008 0.000 0.218 228 A C 2.205 179.811 177.584 0.037 0.000 1.181 228 A CA 1.959 53.965 52.037 -0.052 0.000 0.627 228 A CB -0.578 18.310 19.000 -0.187 0.000 0.818 228 A HN 0.518 nan 8.150 nan 0.000 0.445 229 L N -1.120 120.165 121.223 0.102 0.000 2.109 229 L HA -0.109 4.226 4.340 -0.008 0.000 0.207 229 L C 2.706 179.639 176.870 0.106 0.000 1.086 229 L CA 1.552 56.469 54.840 0.128 0.000 0.760 229 L CB -0.920 41.237 42.059 0.163 0.000 0.910 229 L HN 0.323 nan 8.230 nan 0.000 0.437 230 T N 0.156 114.764 114.554 0.089 0.000 2.746 230 T HA -0.150 4.195 4.350 -0.008 0.000 0.267 230 T C 2.047 176.852 174.700 0.175 0.000 1.039 230 T CA 1.341 63.502 62.100 0.103 0.000 1.142 230 T CB -0.148 68.730 68.868 0.016 0.000 0.866 230 T HN 0.437 nan 8.240 nan 0.000 0.444 231 A N 1.274 124.161 122.820 0.111 0.000 1.877 231 A HA 0.004 4.319 4.320 -0.008 0.000 0.216 231 A C 2.211 179.916 177.584 0.202 0.000 1.186 231 A CA 1.182 53.349 52.037 0.216 0.000 0.620 231 A CB -0.813 18.245 19.000 0.098 0.000 0.822 231 A HN 0.396 nan 8.150 nan 0.000 0.443 232 L N -0.714 120.585 121.223 0.126 0.000 2.131 232 L HA -0.092 4.243 4.340 -0.008 0.000 0.210 232 L C 2.208 179.137 176.870 0.098 0.000 1.092 232 L CA 1.790 56.690 54.840 0.099 0.000 0.759 232 L CB -0.668 41.440 42.059 0.081 0.000 0.903 232 L HN 0.384 nan 8.230 nan 0.000 0.435 233 L N -0.140 121.151 121.223 0.114 0.000 2.046 233 L HA -0.118 4.217 4.340 -0.008 0.000 0.208 233 L C 2.514 179.445 176.870 0.101 0.000 1.077 233 L CA 2.094 56.993 54.840 0.097 0.000 0.747 233 L CB -1.063 41.063 42.059 0.112 0.000 0.896 233 L HN 0.259 nan 8.230 nan 0.000 0.432 234 A N -0.751 122.165 122.820 0.160 0.000 1.940 234 A HA -0.237 4.078 4.320 -0.008 0.000 0.219 234 A C 2.134 179.744 177.584 0.044 0.000 1.176 234 A CA 1.934 54.029 52.037 0.097 0.000 0.631 234 A CB -0.658 18.422 19.000 0.133 0.000 0.814 234 A HN 0.658 nan 8.150 nan 0.000 0.446 235 E N -1.176 119.065 120.200 0.069 0.000 2.274 235 E HA -0.118 4.227 4.350 -0.008 0.000 0.194 235 E C 1.691 178.308 176.600 0.029 0.000 0.996 235 E CA 0.937 57.363 56.400 0.043 0.000 0.840 235 E CB -0.250 29.482 29.700 0.054 0.000 0.772 235 E HN 0.687 nan 8.360 nan 0.000 0.491 236 C N 0.065 119.383 119.300 0.031 0.000 2.590 236 C HA 0.148 4.603 4.460 -0.008 0.000 0.272 236 C C 1.730 176.725 174.990 0.008 0.000 1.338 236 C CA 0.041 59.070 59.018 0.018 0.000 1.746 236 C CB -0.213 27.536 27.740 0.016 0.000 2.020 236 C HN 0.315 nan 8.230 nan 0.000 0.531 237 L N 0.001 121.230 121.223 0.009 0.000 3.110 237 L HA 0.287 4.622 4.340 -0.008 0.000 0.266 237 L C 0.320 177.182 176.870 -0.013 0.000 1.257 237 L CA -0.083 54.757 54.840 -0.001 0.000 1.038 237 L CB -0.300 41.762 42.059 0.005 0.000 1.395 237 L HN 0.231 nan 8.230 nan 0.000 0.566 238 R N 0.608 121.099 120.500 -0.015 0.000 3.333 238 R HA -0.156 4.180 4.340 -0.008 0.000 0.256 238 R C 0.703 176.969 176.300 -0.056 0.000 1.010 238 R CA 0.447 56.530 56.100 -0.028 0.000 0.680 238 R CB -1.909 28.378 30.300 -0.022 0.000 1.102 238 R HN 0.516 nan 8.270 nan 0.000 0.440 239 G N 0.685 109.438 108.800 -0.078 0.000 2.554 239 G HA2 0.160 4.115 3.960 -0.008 0.000 0.238 239 G HA3 0.160 4.115 3.960 -0.008 0.000 0.238 239 G C 0.060 174.818 174.900 -0.236 0.000 1.259 239 G CA -0.530 44.478 45.100 -0.154 0.000 0.843 239 G HN 0.247 nan 8.290 nan 0.000 0.582 240 R N 0.631 120.961 120.500 -0.284 0.000 2.202 240 R HA 0.230 4.565 4.340 -0.008 0.000 0.334 240 R C 1.582 177.579 176.300 -0.505 0.000 1.036 240 R CA 0.199 56.128 56.100 -0.285 0.000 0.878 240 R CB 0.901 31.091 30.300 -0.183 0.000 1.067 240 R HN 0.714 nan 8.270 nan 0.000 0.457 241 T N -1.165 113.137 114.554 -0.420 0.000 3.055 241 T HA -0.137 4.208 4.350 -0.008 0.000 0.265 241 T C 1.436 175.982 174.700 -0.256 0.000 1.111 241 T CA 0.901 62.729 62.100 -0.453 0.000 1.118 241 T CB -0.028 68.727 68.868 -0.190 0.000 0.909 241 T HN 0.741 nan 8.240 nan 0.000 0.501 242 E N 1.850 121.944 120.200 -0.177 0.000 2.265 242 E HA -0.042 4.303 4.350 -0.008 0.000 0.196 242 E C 2.205 178.775 176.600 -0.050 0.000 0.996 242 E CA 0.938 57.291 56.400 -0.078 0.000 0.832 242 E CB -0.555 29.114 29.700 -0.052 0.000 0.756 242 E HN 0.621 nan 8.360 nan 0.000 0.491 243 A N 0.843 123.585 122.820 -0.130 0.000 2.067 243 A HA -0.083 4.232 4.320 -0.008 0.000 0.219 243 A C 1.032 178.745 177.584 0.216 0.000 1.158 243 A CA 0.679 52.707 52.037 -0.015 0.000 0.661 243 A CB -0.600 18.356 19.000 -0.074 0.000 0.801 243 A HN 0.494 nan 8.150 nan 0.000 0.452 244 W N -0.109 121.192 121.300 0.002 0.000 3.330 244 W HA 0.606 5.262 4.660 -0.008 0.000 0.348 244 W C 0.853 177.373 176.519 0.003 0.000 1.205 244 W CA -1.092 56.255 57.345 0.003 0.000 1.841 244 W CB -1.445 28.020 29.460 0.008 0.000 1.084 244 W HN 0.349 nan 8.180 nan 0.000 0.665 245 A N 0.842 123.772 122.820 0.183 0.000 2.483 245 A HA 0.428 4.743 4.320 -0.008 0.000 0.238 245 A C 1.655 179.292 177.584 0.089 0.000 1.070 245 A CA 0.691 52.792 52.037 0.107 0.000 0.770 245 A CB 0.572 19.608 19.000 0.059 0.000 1.008 245 A HN 0.252 nan 8.150 nan 0.000 0.497 246 A N 1.891 124.750 122.820 0.065 0.000 2.015 246 A HA 0.207 4.522 4.320 -0.008 0.000 0.219 246 A C 2.288 179.893 177.584 0.035 0.000 1.163 246 A CA 1.952 54.018 52.037 0.048 0.000 0.646 246 A CB -0.857 18.165 19.000 0.036 0.000 0.806 246 A HN 1.688 nan 8.150 nan 0.000 0.448 247 A N -0.118 122.721 122.820 0.031 0.000 1.972 247 A HA -0.052 4.264 4.320 -0.008 0.000 0.219 247 A C 2.113 179.708 177.584 0.020 0.000 1.169 247 A CA 1.453 53.502 52.037 0.020 0.000 0.635 247 A CB -0.507 18.503 19.000 0.016 0.000 0.810 247 A HN 0.485 nan 8.150 nan 0.000 0.446 248 L N -0.633 120.608 121.223 0.031 0.000 2.072 248 L HA -0.133 4.202 4.340 -0.008 0.000 0.205 248 L C 2.847 179.731 176.870 0.024 0.000 1.079 248 L CA 1.321 56.178 54.840 0.029 0.000 0.752 248 L CB -0.441 41.645 42.059 0.045 0.000 0.906 248 L HN 0.330 nan 8.230 nan 0.000 0.436 249 S N -0.143 115.576 115.700 0.032 0.000 2.359 249 S HA -0.200 4.265 4.470 -0.008 0.000 0.224 249 S C 1.513 176.116 174.600 0.005 0.000 1.035 249 S CA 1.507 59.722 58.200 0.025 0.000 1.018 249 S CB -0.343 62.876 63.200 0.032 0.000 0.876 249 S HN 0.448 nan 8.310 nan 0.000 0.448 250 D N 1.423 121.826 120.400 0.004 0.000 2.178 250 D HA -0.033 4.602 4.640 -0.008 0.000 0.201 250 D C 1.737 178.024 176.300 -0.021 0.000 0.980 250 D CA 0.717 54.712 54.000 -0.008 0.000 0.842 250 D CB -0.313 40.485 40.800 -0.002 0.000 0.948 250 D HN 0.332 nan 8.370 nan 0.000 0.472 251 L N -0.558 120.656 121.223 -0.016 0.000 2.291 251 L HA 0.013 4.348 4.340 -0.008 0.000 0.214 251 L C 1.513 178.357 176.870 -0.043 0.000 1.120 251 L CA 0.515 55.341 54.840 -0.023 0.000 0.799 251 L CB 0.154 42.206 42.059 -0.012 0.000 0.925 251 L HN -0.170 nan 8.230 nan 0.000 0.446 252 R N 0.679 121.149 120.500 -0.050 0.000 2.644 252 R HA 0.187 4.522 4.340 -0.008 0.000 0.271 252 R C -2.201 174.019 176.300 -0.135 0.000 1.687 252 R CA -1.318 54.724 56.100 -0.097 0.000 1.655 252 R CB 0.910 31.193 30.300 -0.027 0.000 1.285 252 R HN -0.153 nan 8.270 nan 0.000 0.643 253 P HA -0.086 nan 4.420 nan 0.000 0.311 253 P C -0.642 176.579 177.300 -0.133 0.000 1.543 253 P CA 0.246 63.273 63.100 -0.122 0.000 0.766 253 P CB -0.341 31.303 31.700 -0.094 0.000 1.711 254 H N 0.798 119.868 119.070 0.001 0.000 2.848 254 H HA 0.084 4.635 4.556 -0.008 0.000 0.317 254 H C -1.319 174.021 175.328 0.020 0.000 1.046 254 H CA -1.474 54.577 56.048 0.005 0.000 1.470 254 H CB 0.439 30.198 29.762 -0.004 0.000 1.483 254 H HN 0.092 nan 8.280 nan 0.000 0.548 255 P HA -0.158 nan 4.420 nan 0.000 0.215 255 P C 1.663 179.038 177.300 0.125 0.000 1.157 255 P CA 1.703 64.865 63.100 0.103 0.000 0.874 255 P CB 0.101 31.856 31.700 0.091 0.000 0.790 256 G N -0.416 108.476 108.800 0.153 0.000 2.442 256 G HA2 -0.311 3.644 3.960 -0.008 0.000 0.219 256 G HA3 -0.311 3.644 3.960 -0.008 0.000 0.219 256 G C 1.679 176.679 174.900 0.167 0.000 1.141 256 G CA 0.761 45.984 45.100 0.205 0.000 0.763 256 G HN 0.328 nan 8.290 nan 0.000 0.554 257 Q N 0.102 119.965 119.800 0.105 0.000 2.079 257 Q HA -0.067 4.268 4.340 -0.008 0.000 0.200 257 Q C 2.473 178.505 176.000 0.055 0.000 0.974 257 Q CA 1.536 57.370 55.803 0.052 0.000 0.840 257 Q CB -0.204 28.580 28.738 0.077 0.000 0.898 257 Q HN 0.510 nan 8.270 nan 0.000 0.430 258 K N 0.165 120.607 120.400 0.071 0.000 2.063 258 K HA -0.237 4.078 4.320 -0.008 0.000 0.208 258 K C 1.678 178.309 176.600 0.052 0.000 1.048 258 K CA 1.901 58.218 56.287 0.051 0.000 0.928 258 K CB -0.178 32.349 32.500 0.045 0.000 0.713 258 K HN 0.198 nan 8.250 nan 0.000 0.442 259 D N -0.105 120.344 120.400 0.081 0.000 2.097 259 D HA -0.111 4.524 4.640 -0.008 0.000 0.195 259 D C 1.723 178.085 176.300 0.104 0.000 0.989 259 D CA 1.586 55.636 54.000 0.084 0.000 0.827 259 D CB -0.105 40.757 40.800 0.103 0.000 0.966 259 D HN 0.326 nan 8.370 nan 0.000 0.456 260 A N 0.607 123.526 122.820 0.165 0.000 1.883 260 A HA -0.038 4.277 4.320 -0.008 0.000 0.217 260 A C 2.406 179.946 177.584 -0.073 0.000 1.186 260 A CA 2.595 54.696 52.037 0.106 0.000 0.624 260 A CB -1.225 17.743 19.000 -0.054 0.000 0.822 260 A HN 0.331 nan 8.150 nan 0.000 0.444 261 A N -0.327 122.446 122.820 -0.077 0.000 1.902 261 A HA 0.162 4.477 4.320 -0.008 0.000 0.217 261 A C 2.503 180.060 177.584 -0.045 0.000 1.181 261 A CA 2.147 54.123 52.037 -0.103 0.000 0.623 261 A CB -1.001 17.998 19.000 -0.002 0.000 0.818 261 A HN 1.102 nan 8.150 nan 0.000 0.443 262 A N -0.277 122.540 122.820 -0.006 0.000 1.930 262 A HA -0.138 4.178 4.320 -0.008 0.000 0.217 262 A C 2.231 179.809 177.584 -0.010 0.000 1.175 262 A CA 1.539 53.581 52.037 0.008 0.000 0.627 262 A CB -0.400 18.607 19.000 0.013 0.000 0.815 262 A HN 0.548 nan 8.150 nan 0.000 0.443 263 R N -0.633 119.849 120.500 -0.030 0.000 2.090 263 R HA 0.069 4.404 4.340 -0.008 0.000 0.228 263 R C 1.983 178.234 176.300 -0.081 0.000 1.110 263 R CA 1.152 57.225 56.100 -0.044 0.000 0.973 263 R CB -0.411 29.872 30.300 -0.029 0.000 0.869 263 R HN 0.488 nan 8.270 nan 0.000 0.440 264 L N 0.206 121.327 121.223 -0.171 0.000 2.056 264 L HA -0.155 4.180 4.340 -0.008 0.000 0.207 264 L C 2.516 179.371 176.870 -0.025 0.000 1.078 264 L CA 1.402 56.053 54.840 -0.315 0.000 0.749 264 L CB -0.318 41.184 42.059 -0.929 0.000 0.901 264 L HN 0.145 nan 8.230 nan 0.000 0.433 265 R N -0.109 120.435 120.500 0.072 0.000 2.081 265 R HA -0.137 4.198 4.340 -0.008 0.000 0.235 265 R C 2.424 178.783 176.300 0.099 0.000 1.131 265 R CA 1.333 57.536 56.100 0.171 0.000 0.960 265 R CB -0.555 29.826 30.300 0.135 0.000 0.856 265 R HN 0.350 nan 8.270 nan 0.000 0.436 266 A N 1.482 124.327 122.820 0.043 0.000 1.902 266 A HA -0.163 4.152 4.320 -0.008 0.000 0.217 266 A C 2.072 179.670 177.584 0.023 0.000 1.181 266 A CA 1.172 53.223 52.037 0.022 0.000 0.623 266 A CB -0.307 18.692 19.000 -0.003 0.000 0.818 266 A HN 0.112 nan 8.150 nan 0.000 0.443 267 R N -0.236 120.274 120.500 0.016 0.000 2.105 267 R HA -0.120 4.215 4.340 -0.008 0.000 0.239 267 R C 1.890 178.225 176.300 0.058 0.000 1.135 267 R CA 1.750 57.860 56.100 0.017 0.000 0.967 267 R CB -1.301 28.997 30.300 -0.002 0.000 0.861 267 R HN 0.682 nan 8.270 nan 0.000 0.442 268 V N -0.934 119.046 119.914 0.110 0.000 3.596 268 V HA 0.115 4.230 4.120 -0.008 0.000 0.289 268 V C 0.214 176.355 176.094 0.078 0.000 1.336 268 V CA -0.620 61.751 62.300 0.118 0.000 1.137 268 V CB -0.519 31.419 31.823 0.193 0.000 0.966 268 V HN -0.083 nan 8.190 nan 0.000 0.428 269 D N 1.485 121.921 120.400 0.060 0.000 2.493 269 D HA 0.404 5.039 4.640 -0.008 0.000 0.240 269 D C 1.474 177.791 176.300 0.028 0.000 1.142 269 D CA 1.946 55.969 54.000 0.040 0.000 0.872 269 D CB 0.574 41.392 40.800 0.029 0.000 1.173 269 D HN 0.569 nan 8.370 nan 0.000 0.467 270 G N 2.352 111.164 108.800 0.021 0.000 2.176 270 G HA2 -0.273 3.682 3.960 -0.008 0.000 0.253 270 G HA3 -0.273 3.682 3.960 -0.008 0.000 0.253 270 G C 0.468 175.378 174.900 0.017 0.000 0.979 270 G CA 0.392 45.501 45.100 0.015 0.000 0.641 270 G HN 0.799 nan 8.290 nan 0.000 0.530 271 S N 0.049 115.763 115.700 0.023 0.000 2.565 271 S HA 0.663 5.128 4.470 -0.008 0.000 0.276 271 S C 1.213 175.820 174.600 0.013 0.000 1.326 271 S CA 0.806 59.020 58.200 0.023 0.000 1.045 271 S CB 1.326 64.546 63.200 0.034 0.000 0.918 271 S HN 1.623 nan 8.310 nan 0.000 0.505 272 A N 5.004 127.832 122.820 0.013 0.000 2.470 272 A HA 0.348 4.663 4.320 -0.008 0.000 0.251 272 A C 1.638 179.228 177.584 0.011 0.000 1.245 272 A CA -0.380 51.664 52.037 0.010 0.000 0.932 272 A CB 0.105 19.112 19.000 0.012 0.000 1.037 272 A HN 0.724 nan 8.150 nan 0.000 0.522 273 R N -0.153 120.353 120.500 0.011 0.000 2.290 273 R HA 0.122 4.457 4.340 -0.008 0.000 0.197 273 R C 0.691 176.990 176.300 -0.002 0.000 0.913 273 R CA 0.877 56.982 56.100 0.008 0.000 1.040 273 R CB -0.225 30.083 30.300 0.014 0.000 0.992 273 R HN 0.491 nan 8.270 nan 0.000 0.500 274 V N -1.439 118.469 119.914 -0.010 0.000 2.973 274 V HA 0.483 4.598 4.120 -0.008 0.000 0.314 274 V C 0.444 176.517 176.094 -0.036 0.000 1.066 274 V CA -0.960 61.316 62.300 -0.041 0.000 1.021 274 V CB 2.084 33.869 31.823 -0.064 0.000 1.076 274 V HN -0.264 nan 8.190 nan 0.000 0.462 275 V N 3.815 123.696 119.914 -0.056 0.000 2.364 275 V HA 0.447 4.562 4.120 -0.008 0.000 0.272 275 V C 1.030 177.097 176.094 -0.045 0.000 1.036 275 V CA -0.241 62.051 62.300 -0.013 0.000 0.880 275 V CB 0.668 32.484 31.823 -0.011 0.000 0.991 275 V HN 0.938 nan 8.190 nan 0.000 0.460 276 R N 1.580 122.055 120.500 -0.041 0.000 2.334 276 R HA 0.195 4.530 4.340 -0.008 0.000 0.212 276 R C -0.106 176.110 176.300 -0.140 0.000 0.897 276 R CA -0.188 55.844 56.100 -0.114 0.000 1.056 276 R CB 0.194 30.405 30.300 -0.149 0.000 1.046 276 R HN 0.722 nan 8.270 nan 0.000 0.513 277 H N 0.166 119.211 119.070 -0.042 0.000 2.764 277 H HA 0.069 4.620 4.556 -0.008 0.000 0.341 277 H C -0.191 175.116 175.328 -0.036 0.000 1.072 277 H CA 0.018 56.046 56.048 -0.033 0.000 1.444 277 H CB 0.926 30.671 29.762 -0.028 0.000 1.458 277 H HN -0.200 nan 8.280 nan 0.000 0.572 278 V N 6.068 126.024 119.914 0.070 0.000 2.455 278 V HA -0.054 4.061 4.120 -0.008 0.000 0.273 278 V C 1.846 177.969 176.094 0.048 0.000 1.045 278 V CA 0.151 62.472 62.300 0.034 0.000 0.976 278 V CB 0.001 31.834 31.823 0.017 0.000 0.993 278 V HN 0.804 nan 8.190 nan 0.000 0.475 279 I N 3.287 123.873 120.570 0.027 0.000 2.361 279 I HA -0.096 4.069 4.170 -0.008 0.000 0.251 279 I C 2.058 178.183 176.117 0.012 0.000 1.133 279 I CA 1.871 63.181 61.300 0.017 0.000 1.413 279 I CB -0.267 37.736 38.000 0.004 0.000 1.073 279 I HN 0.569 nan 8.210 nan 0.000 0.424 280 A N 0.960 123.787 122.820 0.012 0.000 2.216 280 A HA -0.078 4.237 4.320 -0.008 0.000 0.214 280 A C 2.110 179.701 177.584 0.012 0.000 1.160 280 A CA 0.959 53.001 52.037 0.009 0.000 0.725 280 A CB -0.521 18.483 19.000 0.007 0.000 0.784 280 A HN 0.502 nan 8.150 nan 0.000 0.472 281 E N 0.048 120.260 120.200 0.020 0.000 2.208 281 E HA -0.099 4.246 4.350 -0.008 0.000 0.193 281 E C 1.117 177.726 176.600 0.016 0.000 0.988 281 E CA 0.195 56.609 56.400 0.023 0.000 0.828 281 E CB -0.185 29.540 29.700 0.042 0.000 0.763 281 E HN 0.624 nan 8.360 nan 0.000 0.478 282 R N 1.804 122.309 120.500 0.009 0.000 2.401 282 R HA 0.058 4.393 4.340 -0.008 0.000 0.299 282 R C -0.337 175.961 176.300 -0.003 0.000 1.064 282 R CA 0.027 56.126 56.100 -0.003 0.000 1.000 282 R CB 0.397 30.688 30.300 -0.015 0.000 0.973 282 R HN -0.122 nan 8.270 nan 0.000 0.438 283 R N 5.404 125.902 120.500 -0.005 0.000 2.294 283 R HA 0.291 4.626 4.340 -0.008 0.000 0.319 283 R C -0.398 175.897 176.300 -0.007 0.000 0.984 283 R CA -0.597 55.501 56.100 -0.004 0.000 0.861 283 R CB 1.126 31.424 30.300 -0.003 0.000 1.104 283 R HN 0.471 nan 8.270 nan 0.000 0.451 284 L N 2.498 123.717 121.223 -0.007 0.000 2.399 284 L HA 0.379 4.714 4.340 -0.008 0.000 0.265 284 L C 0.145 177.011 176.870 -0.007 0.000 1.089 284 L CA -0.549 54.286 54.840 -0.008 0.000 0.802 284 L CB 0.957 43.011 42.059 -0.008 0.000 1.180 284 L HN 0.692 nan 8.230 nan 0.000 0.454 285 D N 0.219 120.615 120.400 -0.008 0.000 2.636 285 D HA 0.417 5.052 4.640 -0.008 0.000 0.275 285 D C 0.447 176.743 176.300 -0.007 0.000 1.130 285 D CA -0.312 53.684 54.000 -0.007 0.000 1.031 285 D CB 1.244 42.039 40.800 -0.007 0.000 1.451 285 D HN 0.423 nan 8.370 nan 0.000 0.505 286 A N -0.059 122.758 122.820 -0.006 0.000 1.958 286 A HA -0.003 4.312 4.320 -0.008 0.000 0.221 286 A C 2.011 179.591 177.584 -0.007 0.000 1.178 286 A CA 2.320 54.354 52.037 -0.006 0.000 0.642 286 A CB -1.628 17.369 19.000 -0.005 0.000 0.816 286 A HN 0.715 nan 8.150 nan 0.000 0.453 287 G N -1.021 107.775 108.800 -0.007 0.000 2.509 287 G HA2 -0.113 3.842 3.960 -0.008 0.000 0.218 287 G HA3 -0.113 3.842 3.960 -0.008 0.000 0.218 287 G C 0.965 175.859 174.900 -0.010 0.000 1.124 287 G CA 1.013 46.108 45.100 -0.008 0.000 0.776 287 G HN 0.542 nan 8.290 nan 0.000 0.547 288 D N 0.258 120.652 120.400 -0.010 0.000 2.305 288 D HA 0.030 4.665 4.640 -0.008 0.000 0.206 288 D C 0.976 177.269 176.300 -0.010 0.000 0.974 288 D CA -0.102 53.891 54.000 -0.012 0.000 0.871 288 D CB 0.498 41.290 40.800 -0.013 0.000 0.947 288 D HN 0.125 nan 8.370 nan 0.000 0.516 289 I N 1.676 122.241 120.570 -0.009 0.000 2.662 289 I HA 0.255 4.420 4.170 -0.008 0.000 0.285 289 I C 1.363 177.475 176.117 -0.008 0.000 1.161 289 I CA 0.912 62.208 61.300 -0.008 0.000 1.415 289 I CB -0.078 37.918 38.000 -0.006 0.000 1.385 289 I HN 0.010 nan 8.210 nan 0.000 0.552 290 G N 5.405 114.201 108.800 -0.008 0.000 2.345 290 G HA2 0.136 4.092 3.960 -0.008 0.000 0.285 290 G HA3 0.136 4.092 3.960 -0.008 0.000 0.285 290 G C -1.134 173.761 174.900 -0.009 0.000 1.297 290 G CA -0.745 44.350 45.100 -0.008 0.000 0.875 290 G HN 0.401 nan 8.290 nan 0.000 0.506 291 T N 1.994 116.543 114.554 -0.009 0.000 2.744 291 T HA 0.538 4.883 4.350 -0.008 0.000 0.291 291 T C -0.054 174.640 174.700 -0.011 0.000 0.957 291 T CA -0.204 61.890 62.100 -0.010 0.000 1.002 291 T CB 1.211 70.074 68.868 -0.009 0.000 0.919 291 T HN 0.435 nan 8.240 nan 0.000 0.468 292 E N 3.306 123.498 120.200 -0.012 0.000 2.283 292 E HA 0.188 4.533 4.350 -0.008 0.000 0.267 292 E C -1.324 175.267 176.600 -0.015 0.000 1.045 292 E CA -2.013 54.378 56.400 -0.015 0.000 0.884 292 E CB 0.746 30.436 29.700 -0.016 0.000 1.106 292 E HN 0.331 nan 8.360 nan 0.000 0.408 293 P HA -0.139 nan 4.420 nan 0.000 0.216 293 P C -0.462 176.828 177.300 -0.016 0.000 1.153 293 P CA 1.459 64.549 63.100 -0.016 0.000 0.858 293 P CB 0.318 32.008 31.700 -0.017 0.000 0.789 294 E N -1.801 118.389 120.200 -0.017 0.000 2.369 294 E HA 0.608 4.953 4.350 -0.008 0.000 0.270 294 E C -0.879 175.712 176.600 -0.016 0.000 0.909 294 E CA -1.137 55.252 56.400 -0.017 0.000 0.775 294 E CB 1.944 31.633 29.700 -0.019 0.000 1.270 294 E HN -0.080 nan 8.360 nan 0.000 0.445 295 A N 0.413 123.225 122.820 -0.013 0.000 2.346 295 A HA 0.445 4.760 4.320 -0.008 0.000 0.252 295 A C 1.132 178.710 177.584 -0.010 0.000 1.089 295 A CA 0.322 52.353 52.037 -0.009 0.000 0.797 295 A CB 0.096 19.093 19.000 -0.005 0.000 1.047 295 A HN 0.771 nan 8.150 nan 0.000 0.494 296 G N -0.827 107.969 108.800 -0.006 0.000 2.848 296 G HA2 0.302 4.257 3.960 -0.008 0.000 0.208 296 G HA3 0.302 4.257 3.960 -0.008 0.000 0.208 296 G C 0.417 175.312 174.900 -0.008 0.000 1.152 296 G CA 0.289 45.383 45.100 -0.009 0.000 0.789 296 G HN 0.699 nan 8.290 nan 0.000 0.531 297 Q N 0.157 119.957 119.800 0.001 0.000 2.421 297 Q HA 0.302 4.637 4.340 -0.008 0.000 0.280 297 Q C -1.494 174.516 176.000 0.016 0.000 1.085 297 Q CA -1.029 54.779 55.803 0.008 0.000 0.807 297 Q CB 2.075 30.835 28.738 0.036 0.000 1.405 297 Q HN 0.023 nan 8.270 nan 0.000 0.419 298 D N 0.753 121.163 120.400 0.015 0.000 2.354 298 D HA 0.362 4.997 4.640 -0.008 0.000 0.247 298 D C -0.149 176.207 176.300 0.092 0.000 1.138 298 D CA -0.076 53.942 54.000 0.029 0.000 0.958 298 D CB 0.884 41.688 40.800 0.008 0.000 1.144 298 D HN 0.624 nan 8.370 nan 0.000 0.458 299 A N 0.601 123.465 122.820 0.073 0.000 2.386 299 A HA -0.000 4.315 4.320 -0.008 0.000 0.246 299 A C 0.672 178.400 177.584 0.240 0.000 1.089 299 A CA -0.095 51.988 52.037 0.077 0.000 0.790 299 A CB -0.075 18.933 19.000 0.013 0.000 1.042 299 A HN 0.539 nan 8.150 nan 0.000 0.497 300 Y N 0.991 121.308 120.300 0.028 0.000 2.256 300 Y HA -0.211 4.334 4.550 -0.008 0.000 0.288 300 Y C 2.935 178.869 175.900 0.057 0.000 1.155 300 Y CA 1.652 59.776 58.100 0.039 0.000 1.203 300 Y CB -1.366 37.108 38.460 0.023 0.000 0.980 300 Y HN 0.754 nan 8.280 nan 0.000 0.530 301 S N -0.993 114.835 115.700 0.213 0.000 2.493 301 S HA -0.115 4.350 4.470 -0.008 0.000 0.243 301 S C 1.786 176.491 174.600 0.174 0.000 0.991 301 S CA 1.155 59.445 58.200 0.151 0.000 0.957 301 S CB -0.563 62.702 63.200 0.107 0.000 0.756 301 S HN 0.464 nan 8.310 nan 0.000 0.521 302 L N -0.366 120.981 121.223 0.206 0.000 2.588 302 L HA 0.359 4.694 4.340 -0.008 0.000 0.194 302 L C 2.729 179.817 176.870 0.363 0.000 1.070 302 L CA 0.221 55.233 54.840 0.287 0.000 0.852 302 L CB -0.210 41.955 42.059 0.178 0.000 1.199 302 L HN 0.165 nan 8.230 nan 0.000 0.486 303 R N -0.074 120.559 120.500 0.222 0.000 2.120 303 R HA -0.129 4.206 4.340 -0.008 0.000 0.234 303 R C 1.434 177.835 176.300 0.168 0.000 1.123 303 R CA 1.694 57.900 56.100 0.176 0.000 0.975 303 R CB -0.155 30.213 30.300 0.114 0.000 0.866 303 R HN 0.392 nan 8.270 nan 0.000 0.446 304 C N 0.215 119.573 119.300 0.097 0.000 2.688 304 C HA 0.451 4.906 4.460 -0.008 0.000 0.297 304 C C 2.050 177.047 174.990 0.012 0.000 1.308 304 C CA -0.412 58.598 59.018 -0.014 0.000 1.726 304 C CB -0.306 27.323 27.740 -0.185 0.000 1.982 304 C HN 0.616 nan 8.230 nan 0.000 0.604 305 A N 2.695 125.566 122.820 0.085 0.000 1.908 305 A HA -0.094 4.221 4.320 -0.008 0.000 0.218 305 A C 0.018 177.514 177.584 -0.147 0.000 1.181 305 A CA 1.794 53.815 52.037 -0.026 0.000 0.627 305 A CB -1.568 17.419 19.000 -0.023 0.000 0.818 305 A HN 0.413 nan 8.150 nan 0.000 0.445 306 P HA -0.164 nan 4.420 nan 0.000 0.215 306 P C 1.260 178.478 177.300 -0.136 0.000 1.153 306 P CA 1.561 64.560 63.100 -0.168 0.000 0.853 306 P CB -0.065 31.585 31.700 -0.083 0.000 0.788 307 Q N -1.005 118.739 119.800 -0.093 0.000 2.119 307 Q HA -0.078 4.257 4.340 -0.008 0.000 0.201 307 Q C 2.110 178.025 176.000 -0.142 0.000 0.972 307 Q CA 1.214 56.959 55.803 -0.095 0.000 0.847 307 Q CB -1.310 27.381 28.738 -0.079 0.000 0.903 307 Q HN 0.108 nan 8.270 nan 0.000 0.433 308 V N 0.219 120.043 119.914 -0.149 0.000 2.283 308 V HA -0.191 3.924 4.120 -0.008 0.000 0.243 308 V C 2.082 178.020 176.094 -0.260 0.000 1.039 308 V CA 1.398 63.599 62.300 -0.166 0.000 1.016 308 V CB -0.618 31.134 31.823 -0.118 0.000 0.650 308 V HN 0.293 nan 8.190 nan 0.000 0.449 309 L N 0.675 121.692 121.223 -0.344 0.000 2.042 309 L HA -0.115 4.220 4.340 -0.008 0.000 0.210 309 L C 2.690 179.026 176.870 -0.890 0.000 1.076 309 L CA 1.867 56.307 54.840 -0.666 0.000 0.749 309 L CB -1.293 40.344 42.059 -0.704 0.000 0.893 309 L HN 0.488 nan 8.230 nan 0.000 0.432 310 G N -0.324 108.169 108.800 -0.511 0.000 2.440 310 G HA2 -0.275 3.680 3.960 -0.008 0.000 0.218 310 G HA3 -0.275 3.680 3.960 -0.008 0.000 0.218 310 G C 1.767 176.569 174.900 -0.164 0.000 1.154 310 G CA 0.891 45.834 45.100 -0.263 0.000 0.767 310 G HN 0.483 nan 8.290 nan 0.000 0.552 311 A N 0.764 123.467 122.820 -0.196 0.000 1.933 311 A HA 0.182 4.497 4.320 -0.008 0.000 0.218 311 A C 2.695 180.219 177.584 -0.100 0.000 1.175 311 A CA 2.036 53.977 52.037 -0.161 0.000 0.628 311 A CB -0.968 17.927 19.000 -0.175 0.000 0.814 311 A HN 0.525 nan 8.150 nan 0.000 0.444 312 G N -1.042 107.666 108.800 -0.153 0.000 2.402 312 G HA2 -0.120 3.835 3.960 -0.008 0.000 0.216 312 G HA3 -0.120 3.835 3.960 -0.008 0.000 0.216 312 G C 1.287 176.277 174.900 0.151 0.000 1.162 312 G CA 1.040 46.099 45.100 -0.068 0.000 0.777 312 G HN 0.377 nan 8.290 nan 0.000 0.539 313 F N 1.719 121.676 119.950 0.011 0.000 2.171 313 F HA 0.032 4.554 4.527 -0.009 0.000 0.300 313 F C 2.307 178.134 175.800 0.045 0.000 1.090 313 F CA 0.411 58.430 58.000 0.032 0.000 1.293 313 F CB -0.612 38.400 39.000 0.021 0.000 1.013 313 F HN 0.122 nan 8.300 nan 0.000 0.486 314 D N -0.626 119.903 120.400 0.216 0.000 2.183 314 D HA -0.096 4.539 4.640 -0.008 0.000 0.203 314 D C 2.210 178.619 176.300 0.182 0.000 0.969 314 D CA 1.353 55.446 54.000 0.155 0.000 0.842 314 D CB -0.344 40.496 40.800 0.067 0.000 0.957 314 D HN 0.199 nan 8.370 nan 0.000 0.484 315 T N 1.296 115.950 114.554 0.167 0.000 2.737 315 T HA -0.121 4.224 4.350 -0.008 0.000 0.265 315 T C 1.915 176.785 174.700 0.283 0.000 1.038 315 T CA 0.419 62.657 62.100 0.230 0.000 1.144 315 T CB -0.258 68.698 68.868 0.147 0.000 0.866 315 T HN 0.040 nan 8.240 nan 0.000 0.434 316 L N 1.626 122.975 121.223 0.209 0.000 2.046 316 L HA 0.055 4.390 4.340 -0.008 0.000 0.208 316 L C 2.576 179.568 176.870 0.203 0.000 1.077 316 L CA 1.847 56.789 54.840 0.169 0.000 0.747 316 L CB -1.098 41.043 42.059 0.136 0.000 0.896 316 L HN 0.224 nan 8.230 nan 0.000 0.432 317 A N -1.169 121.771 122.820 0.199 0.000 1.908 317 A HA -0.287 4.028 4.320 -0.008 0.000 0.218 317 A C 2.139 179.863 177.584 0.233 0.000 1.181 317 A CA 1.828 53.971 52.037 0.177 0.000 0.627 317 A CB -1.484 17.611 19.000 0.160 0.000 0.818 317 A HN 0.750 nan 8.150 nan 0.000 0.445 318 W N 0.333 121.690 121.300 0.096 0.000 2.379 318 W HA -0.182 4.467 4.660 -0.019 0.000 0.307 318 W C 2.247 178.830 176.519 0.107 0.000 1.200 318 W CA 1.898 59.294 57.345 0.086 0.000 1.297 318 W CB -0.745 28.759 29.460 0.073 0.000 1.140 318 W HN 0.628 nan 8.180 nan 0.000 0.507 319 H N 0.169 119.187 119.070 -0.086 0.000 2.319 319 H HA -0.180 4.372 4.556 -0.007 0.000 0.297 319 H C 1.371 176.584 175.328 -0.191 0.000 1.097 319 H CA 2.450 58.339 56.048 -0.265 0.000 1.285 319 H CB -0.532 29.184 29.762 -0.076 0.000 1.368 319 H HN 0.058 nan 8.280 nan 0.000 0.495 320 D N 0.197 120.637 120.400 0.067 0.000 2.178 320 D HA -0.073 4.562 4.640 -0.008 0.000 0.202 320 D C 2.600 178.865 176.300 -0.059 0.000 0.974 320 D CA 0.560 54.570 54.000 0.016 0.000 0.841 320 D CB -0.215 40.642 40.800 0.095 0.000 0.953 320 D HN 0.385 nan 8.370 nan 0.000 0.478 321 R N 0.273 120.749 120.500 -0.040 0.000 2.073 321 R HA -0.059 4.276 4.340 -0.008 0.000 0.234 321 R C 2.331 178.574 176.300 -0.095 0.000 1.134 321 R CA 0.777 56.864 56.100 -0.021 0.000 0.952 321 R CB -0.470 29.867 30.300 0.062 0.000 0.850 321 R HN 0.097 nan 8.270 nan 0.000 0.433 322 V N 1.451 121.228 119.914 -0.228 0.000 2.343 322 V HA -0.225 3.890 4.120 -0.008 0.000 0.247 322 V C 2.234 178.184 176.094 -0.240 0.000 1.051 322 V CA 1.451 63.598 62.300 -0.255 0.000 1.036 322 V CB -0.446 31.107 31.823 -0.450 0.000 0.654 322 V HN 0.241 nan 8.190 nan 0.000 0.451 323 L N 0.004 121.039 121.223 -0.313 0.000 2.083 323 L HA -0.139 4.196 4.340 -0.008 0.000 0.209 323 L C 2.421 179.202 176.870 -0.148 0.000 1.083 323 L CA 2.335 57.017 54.840 -0.263 0.000 0.752 323 L CB -0.958 40.889 42.059 -0.353 0.000 0.899 323 L HN 0.338 nan 8.230 nan 0.000 0.433 324 T N -0.132 114.360 114.554 -0.103 0.000 2.746 324 T HA -0.156 4.189 4.350 -0.008 0.000 0.267 324 T C 1.952 176.631 174.700 -0.035 0.000 1.039 324 T CA 2.026 64.100 62.100 -0.045 0.000 1.142 324 T CB -0.289 68.596 68.868 0.027 0.000 0.866 324 T HN 0.331 nan 8.240 nan 0.000 0.444 325 I N 0.656 121.197 120.570 -0.049 0.000 2.252 325 I HA -0.127 4.038 4.170 -0.008 0.000 0.245 325 I C 2.718 178.781 176.117 -0.089 0.000 1.102 325 I CA 1.219 62.487 61.300 -0.053 0.000 1.385 325 I CB -0.305 37.645 38.000 -0.083 0.000 1.064 325 I HN 0.198 nan 8.210 nan 0.000 0.414 326 E N 1.358 121.485 120.200 -0.122 0.000 2.077 326 E HA -0.259 4.086 4.350 -0.008 0.000 0.193 326 E C 2.034 178.580 176.600 -0.090 0.000 0.989 326 E CA 1.317 57.646 56.400 -0.119 0.000 0.800 326 E CB -0.278 29.348 29.700 -0.124 0.000 0.746 326 E HN 0.309 nan 8.360 nan 0.000 0.452 327 L N 0.939 122.107 121.223 -0.091 0.000 2.046 327 L HA -0.095 4.240 4.340 -0.008 0.000 0.208 327 L C 1.242 178.060 176.870 -0.087 0.000 1.077 327 L CA 1.826 56.614 54.840 -0.087 0.000 0.747 327 L CB -0.421 41.579 42.059 -0.099 0.000 0.896 327 L HN 0.149 nan 8.230 nan 0.000 0.432 328 N N -0.101 118.548 118.700 -0.086 0.000 2.322 328 N HA 0.186 4.922 4.740 -0.008 0.000 0.194 328 N C 0.319 175.808 175.510 -0.034 0.000 1.126 328 N CA 0.622 53.633 53.050 -0.065 0.000 0.845 328 N CB 0.225 38.687 38.487 -0.042 0.000 0.976 328 N HN 0.419 nan 8.380 nan 0.000 0.475 329 A N 0.272 123.063 122.820 -0.048 0.000 2.248 329 A HA 0.582 4.897 4.320 -0.008 0.000 0.316 329 A C 0.012 177.571 177.584 -0.042 0.000 1.101 329 A CA -0.405 51.604 52.037 -0.048 0.000 0.875 329 A CB 1.016 19.972 19.000 -0.074 0.000 1.207 329 A HN -0.042 nan 8.150 nan 0.000 0.504 330 V N 1.219 121.108 119.914 -0.041 0.000 2.333 330 V HA 0.325 4.441 4.120 -0.008 0.000 0.274 330 V C 0.824 176.894 176.094 -0.040 0.000 1.028 330 V CA 0.389 62.670 62.300 -0.032 0.000 0.851 330 V CB 0.678 32.484 31.823 -0.028 0.000 1.000 330 V HN 1.022 nan 8.190 nan 0.000 0.456 331 T N -0.728 113.813 114.554 -0.023 0.000 3.214 331 T HA 0.237 4.582 4.350 -0.008 0.000 0.264 331 T C 0.097 174.818 174.700 0.036 0.000 1.012 331 T CA -0.557 61.537 62.100 -0.011 0.000 0.901 331 T CB -0.334 68.537 68.868 0.004 0.000 1.070 331 T HN 0.536 nan 8.240 nan 0.000 0.561 332 D N 2.391 122.801 120.400 0.017 0.000 2.358 332 D HA 0.537 5.172 4.640 -0.008 0.000 0.244 332 D C -0.079 176.240 176.300 0.031 0.000 1.163 332 D CA -0.004 54.019 54.000 0.037 0.000 0.945 332 D CB 0.538 41.341 40.800 0.005 0.000 1.152 332 D HN 0.343 nan 8.370 nan 0.000 0.451 333 N N -0.041 118.700 118.700 0.068 0.000 2.600 333 N HA 0.260 4.995 4.740 -0.008 0.000 0.272 333 N C -2.938 172.596 175.510 0.040 0.000 1.095 333 N CA -1.255 51.815 53.050 0.033 0.000 0.993 333 N CB 1.751 40.389 38.487 0.251 0.000 1.603 333 N HN 0.023 nan 8.380 nan 0.000 0.526 334 P HA 0.301 nan 4.420 nan 0.000 0.279 334 P C -0.860 176.121 177.300 -0.532 0.000 1.282 334 P CA -0.417 62.407 63.100 -0.459 0.000 0.788 334 P CB 0.862 32.096 31.700 -0.778 0.000 1.139 335 V N -3.714 115.821 119.914 -0.633 0.000 2.914 335 V HA 0.619 4.734 4.120 -0.008 0.000 0.314 335 V C -0.922 174.740 176.094 -0.720 0.000 1.084 335 V CA -0.917 61.047 62.300 -0.560 0.000 0.963 335 V CB 1.593 33.270 31.823 -0.244 0.000 1.025 335 V HN 0.227 nan 8.190 nan 0.000 0.432 336 F N 2.009 121.945 119.950 -0.023 0.000 2.366 336 F HA 0.607 5.133 4.527 -0.002 0.000 0.366 336 F C -2.420 173.376 175.800 -0.008 0.000 1.096 336 F CA -2.579 55.415 58.000 -0.011 0.000 1.060 336 F CB 1.313 40.313 39.000 -0.001 0.000 1.282 336 F HN 0.292 nan 8.300 nan 0.000 0.450 337 P HA -0.006 nan 4.420 nan 0.000 0.258 337 P C -1.994 175.351 177.300 0.075 0.000 1.172 337 P CA -0.614 62.523 63.100 0.062 0.000 0.762 337 P CB 0.430 32.155 31.700 0.040 0.000 0.764 338 P HA -0.180 nan 4.420 nan 0.000 0.222 338 P C 0.752 178.073 177.300 0.035 0.000 1.147 338 P CA 1.326 64.453 63.100 0.046 0.000 0.790 338 P CB -0.068 31.651 31.700 0.033 0.000 0.780 339 D N -2.014 118.405 120.400 0.031 0.000 2.323 339 D HA 0.049 4.684 4.640 -0.008 0.000 0.209 339 D C 1.466 177.783 176.300 0.028 0.000 0.973 339 D CA 0.921 54.935 54.000 0.024 0.000 0.874 339 D CB -1.119 39.692 40.800 0.018 0.000 0.930 339 D HN 0.158 nan 8.370 nan 0.000 0.521 340 G N 0.090 108.914 108.800 0.040 0.000 2.143 340 G HA2 -0.365 3.590 3.960 -0.008 0.000 0.249 340 G HA3 -0.365 3.590 3.960 -0.008 0.000 0.249 340 G C 1.237 176.161 174.900 0.040 0.000 0.981 340 G CA 1.044 46.170 45.100 0.044 0.000 0.665 340 G HN 0.654 nan 8.290 nan 0.000 0.528 341 S N -1.370 114.350 115.700 0.035 0.000 2.374 341 S HA 0.164 4.629 4.470 -0.008 0.000 0.227 341 S C 1.218 175.840 174.600 0.036 0.000 1.037 341 S CA 2.120 60.338 58.200 0.029 0.000 1.024 341 S CB -0.417 62.796 63.200 0.022 0.000 0.861 341 S HN 2.105 nan 8.310 nan 0.000 0.456 342 V N -3.879 116.063 119.914 0.047 0.000 3.114 342 V HA 0.567 4.682 4.120 -0.008 0.000 0.308 342 V C -2.525 173.621 176.094 0.087 0.000 1.168 342 V CA -2.123 60.212 62.300 0.058 0.000 1.015 342 V CB 1.213 33.066 31.823 0.050 0.000 1.050 342 V HN -0.122 nan 8.190 nan 0.000 0.433 343 P HA 0.200 nan 4.420 nan 0.000 0.215 343 P C 0.298 177.745 177.300 0.245 0.000 1.153 343 P CA 2.268 65.463 63.100 0.159 0.000 0.853 343 P CB 0.166 31.954 31.700 0.147 0.000 0.788 344 A N -2.116 120.799 122.820 0.157 0.000 2.608 344 A HA 0.644 4.959 4.320 -0.008 0.000 0.292 344 A C -1.907 175.658 177.584 -0.032 0.000 1.066 344 A CA -0.536 51.515 52.037 0.023 0.000 0.676 344 A CB 0.443 19.442 19.000 -0.003 0.000 1.277 344 A HN -0.049 nan 8.150 nan 0.000 0.413 345 L N 0.967 122.079 121.223 -0.185 0.000 2.362 345 L HA 0.599 4.934 4.340 -0.008 0.000 0.271 345 L C -1.155 175.562 176.870 -0.255 0.000 1.002 345 L CA -0.693 54.083 54.840 -0.108 0.000 0.818 345 L CB 2.298 44.298 42.059 -0.098 0.000 1.298 345 L HN 0.850 nan 8.230 nan 0.000 0.420 346 H N 1.278 120.289 119.070 -0.098 0.000 2.587 346 H HA 0.705 5.254 4.556 -0.012 0.000 0.325 346 H C 0.132 175.402 175.328 -0.097 0.000 1.012 346 H CA -0.211 55.778 56.048 -0.098 0.000 1.213 346 H CB 1.838 31.541 29.762 -0.099 0.000 1.431 346 H HN 0.735 nan 8.280 nan 0.000 0.492 347 G N 0.759 109.533 108.800 -0.043 0.000 2.976 347 G HA2 0.464 4.419 3.960 -0.008 0.000 0.276 347 G HA3 0.464 4.419 3.960 -0.008 0.000 0.276 347 G C -0.197 174.558 174.900 -0.243 0.000 1.207 347 G CA -0.398 44.637 45.100 -0.108 0.000 0.803 347 G HN 0.616 nan 8.290 nan 0.000 0.572 348 G N 0.018 108.553 108.800 -0.442 0.000 4.716 348 G HA2 0.274 4.229 3.960 -0.008 0.000 0.282 348 G HA3 0.274 4.229 3.960 -0.008 0.000 0.282 348 G C 0.266 174.572 174.900 -0.990 0.000 1.173 348 G CA -0.183 44.282 45.100 -1.058 0.000 0.913 348 G HN 0.266 nan 8.290 nan 0.000 0.566 349 N N 0.873 119.204 118.700 -0.614 0.000 2.609 349 N HA -0.048 4.687 4.740 -0.008 0.000 0.190 349 N C 1.530 176.888 175.510 -0.254 0.000 1.157 349 N CA 0.352 53.199 53.050 -0.339 0.000 0.918 349 N CB -0.137 38.238 38.487 -0.185 0.000 0.978 349 N HN 0.630 nan 8.380 nan 0.000 0.448 350 F N -1.075 118.855 119.950 -0.033 0.000 2.780 350 F HA 0.305 4.835 4.527 0.006 0.000 0.299 350 F C 0.867 176.662 175.800 -0.008 0.000 1.146 350 F CA -0.713 57.273 58.000 -0.023 0.000 1.428 350 F CB -0.730 38.256 39.000 -0.024 0.000 1.115 350 F HN -0.163 nan 8.300 nan 0.000 0.583 351 M N 2.797 122.384 119.600 -0.023 0.000 2.522 351 M HA 0.333 4.809 4.480 -0.008 0.000 0.333 351 M C 0.991 177.335 176.300 0.074 0.000 1.632 351 M CA -0.600 54.752 55.300 0.087 0.000 1.293 351 M CB 0.068 32.639 32.600 -0.048 0.000 1.857 351 M HN 0.235 nan 8.290 nan 0.000 0.456 352 G N 3.432 112.293 108.800 0.103 0.000 3.452 352 G HA2 0.020 3.975 3.960 -0.008 0.000 0.258 352 G HA3 0.020 3.975 3.960 -0.008 0.000 0.258 352 G C 0.714 175.653 174.900 0.065 0.000 1.305 352 G CA -0.180 44.966 45.100 0.076 0.000 1.514 352 G HN 0.809 nan 8.290 nan 0.000 0.593 353 Q N 0.006 119.844 119.800 0.064 0.000 2.170 353 Q HA -0.102 4.233 4.340 -0.008 0.000 0.203 353 Q C 1.944 177.923 176.000 -0.036 0.000 0.976 353 Q CA 1.475 57.285 55.803 0.010 0.000 0.858 353 Q CB -0.122 28.602 28.738 -0.022 0.000 0.907 353 Q HN 0.719 nan 8.270 nan 0.000 0.433 354 H N -1.738 117.310 119.070 -0.036 0.000 2.321 354 H HA -0.064 4.483 4.556 -0.015 0.000 0.300 354 H C 1.810 177.060 175.328 -0.131 0.000 1.087 354 H CA 1.768 57.769 56.048 -0.079 0.000 1.319 354 H CB -0.062 29.642 29.762 -0.097 0.000 1.379 354 H HN 0.067 nan 8.280 nan 0.000 0.501 355 V N 0.516 120.437 119.914 0.012 0.000 2.515 355 V HA -0.211 3.904 4.120 -0.008 0.000 0.250 355 V C 2.475 178.556 176.094 -0.020 0.000 1.058 355 V CA 1.345 63.613 62.300 -0.053 0.000 1.064 355 V CB -0.899 30.904 31.823 -0.032 0.000 0.675 355 V HN 0.568 nan 8.190 nan 0.000 0.461 356 A N 0.100 122.922 122.820 0.004 0.000 1.858 356 A HA -0.171 4.144 4.320 -0.008 0.000 0.216 356 A C 2.195 179.793 177.584 0.022 0.000 1.190 356 A CA 1.868 53.917 52.037 0.021 0.000 0.617 356 A CB -0.538 18.477 19.000 0.024 0.000 0.827 356 A HN 0.485 nan 8.150 nan 0.000 0.443 357 L N -0.159 121.067 121.223 0.005 0.000 2.093 357 L HA -0.145 4.190 4.340 -0.008 0.000 0.208 357 L C 2.992 179.906 176.870 0.075 0.000 1.085 357 L CA 1.787 56.659 54.840 0.053 0.000 0.755 357 L CB -0.949 41.154 42.059 0.074 0.000 0.904 357 L HN 0.673 nan 8.230 nan 0.000 0.435 358 T N -4.490 110.006 114.554 -0.096 0.000 2.857 358 T HA -0.099 4.246 4.350 -0.008 0.000 0.266 358 T C 2.052 176.824 174.700 0.119 0.000 1.048 358 T CA 1.250 63.237 62.100 -0.188 0.000 1.139 358 T CB -0.263 68.280 68.868 -0.542 0.000 0.874 358 T HN 0.115 nan 8.240 nan 0.000 0.455 359 S N 1.706 117.475 115.700 0.115 0.000 2.356 359 S HA -0.119 4.346 4.470 -0.008 0.000 0.223 359 S C 1.887 176.547 174.600 0.100 0.000 1.032 359 S CA 1.369 59.656 58.200 0.146 0.000 1.005 359 S CB -0.608 62.655 63.200 0.106 0.000 0.867 359 S HN 0.532 nan 8.310 nan 0.000 0.449 360 D N 1.552 122.006 120.400 0.090 0.000 2.117 360 D HA -0.020 4.615 4.640 -0.008 0.000 0.197 360 D C 2.106 178.461 176.300 0.091 0.000 0.987 360 D CA 1.213 55.261 54.000 0.079 0.000 0.829 360 D CB -0.448 40.394 40.800 0.070 0.000 0.961 360 D HN 0.383 nan 8.370 nan 0.000 0.460 361 A N 0.656 123.566 122.820 0.149 0.000 1.902 361 A HA -0.131 4.184 4.320 -0.008 0.000 0.217 361 A C 2.140 179.799 177.584 0.124 0.000 1.181 361 A CA 0.949 53.096 52.037 0.182 0.000 0.623 361 A CB -0.647 18.592 19.000 0.398 0.000 0.818 361 A HN 0.244 nan 8.150 nan 0.000 0.443 362 L N -0.220 121.068 121.223 0.109 0.000 2.056 362 L HA -0.004 4.331 4.340 -0.008 0.000 0.207 362 L C 2.639 179.499 176.870 -0.017 0.000 1.078 362 L CA 2.071 56.922 54.840 0.018 0.000 0.749 362 L CB -0.867 41.125 42.059 -0.112 0.000 0.901 362 L HN 0.336 nan 8.230 nan 0.000 0.433 363 A N -1.481 121.342 122.820 0.005 0.000 1.908 363 A HA -0.227 4.088 4.320 -0.008 0.000 0.218 363 A C 2.265 179.828 177.584 -0.035 0.000 1.181 363 A CA 2.397 54.430 52.037 -0.007 0.000 0.627 363 A CB -1.226 17.786 19.000 0.020 0.000 0.818 363 A HN 0.517 nan 8.150 nan 0.000 0.445 364 T N 0.171 114.714 114.554 -0.019 0.000 2.708 364 T HA 0.005 4.350 4.350 -0.008 0.000 0.266 364 T C 2.257 176.905 174.700 -0.087 0.000 1.037 364 T CA 1.586 63.663 62.100 -0.039 0.000 1.146 364 T CB -0.479 68.381 68.868 -0.014 0.000 0.865 364 T HN 0.612 nan 8.240 nan 0.000 0.435 365 A N 1.049 123.820 122.820 -0.082 0.000 1.883 365 A HA -0.072 4.243 4.320 -0.008 0.000 0.217 365 A C 2.592 180.013 177.584 -0.270 0.000 1.186 365 A CA 1.466 53.423 52.037 -0.133 0.000 0.624 365 A CB -1.127 17.830 19.000 -0.072 0.000 0.822 365 A HN 0.343 nan 8.150 nan 0.000 0.444 366 V N -0.159 119.585 119.914 -0.284 0.000 2.332 366 V HA -0.254 3.861 4.120 -0.008 0.000 0.248 366 V C 2.751 178.531 176.094 -0.523 0.000 1.055 366 V CA 2.531 64.523 62.300 -0.514 0.000 1.038 366 V CB -1.247 30.442 31.823 -0.224 0.000 0.651 366 V HN 0.632 nan 8.190 nan 0.000 0.450 367 T N -0.303 114.087 114.554 -0.274 0.000 2.788 367 T HA -0.148 4.197 4.350 -0.008 0.000 0.268 367 T C 1.925 176.492 174.700 -0.222 0.000 1.044 367 T CA 1.532 63.511 62.100 -0.202 0.000 1.139 367 T CB -0.172 68.633 68.868 -0.105 0.000 0.867 367 T HN 0.284 nan 8.240 nan 0.000 0.454 368 V N 1.206 120.986 119.914 -0.224 0.000 2.261 368 V HA -0.102 4.013 4.120 -0.008 0.000 0.246 368 V C 2.405 178.353 176.094 -0.243 0.000 1.047 368 V CA 1.371 63.558 62.300 -0.189 0.000 1.015 368 V CB -0.569 31.159 31.823 -0.159 0.000 0.642 368 V HN 0.319 nan 8.190 nan 0.000 0.446 369 L N 0.337 121.323 121.223 -0.395 0.000 2.141 369 L HA -0.063 4.272 4.340 -0.008 0.000 0.209 369 L C 2.533 179.168 176.870 -0.391 0.000 1.094 369 L CA 2.054 56.646 54.840 -0.414 0.000 0.763 369 L CB -1.175 40.517 42.059 -0.611 0.000 0.908 369 L HN 0.293 nan 8.230 nan 0.000 0.437 370 A N -0.566 121.892 122.820 -0.603 0.000 1.930 370 A HA -0.054 4.262 4.320 -0.008 0.000 0.217 370 A C 2.435 179.981 177.584 -0.064 0.000 1.175 370 A CA 1.471 53.337 52.037 -0.284 0.000 0.627 370 A CB -1.210 17.648 19.000 -0.236 0.000 0.815 370 A HN 0.419 nan 8.150 nan 0.000 0.443 371 G N -0.044 108.696 108.800 -0.100 0.000 2.418 371 G HA2 -0.138 3.817 3.960 -0.008 0.000 0.217 371 G HA3 -0.138 3.817 3.960 -0.008 0.000 0.217 371 G C 1.479 176.376 174.900 -0.004 0.000 1.158 371 G CA 1.185 46.262 45.100 -0.038 0.000 0.771 371 G HN 0.501 nan 8.290 nan 0.000 0.545 372 L N 1.491 122.705 121.223 -0.015 0.000 1.989 372 L HA 0.091 4.426 4.340 -0.008 0.000 0.211 372 L C 3.046 179.955 176.870 0.065 0.000 1.071 372 L CA 2.397 57.251 54.840 0.024 0.000 0.749 372 L CB -0.849 41.216 42.059 0.010 0.000 0.890 372 L HN 0.226 nan 8.230 nan 0.000 0.431 373 A N -0.865 122.018 122.820 0.104 0.000 1.908 373 A HA -0.245 4.070 4.320 -0.008 0.000 0.218 373 A C 2.331 179.973 177.584 0.096 0.000 1.181 373 A CA 1.787 53.907 52.037 0.139 0.000 0.627 373 A CB -0.829 18.316 19.000 0.241 0.000 0.818 373 A HN 0.611 nan 8.150 nan 0.000 0.445 374 E N -0.077 120.172 120.200 0.082 0.000 2.077 374 E HA -0.208 4.137 4.350 -0.008 0.000 0.193 374 E C 2.089 178.722 176.600 0.054 0.000 0.989 374 E CA 0.955 57.393 56.400 0.064 0.000 0.800 374 E CB -0.222 29.509 29.700 0.052 0.000 0.746 374 E HN 0.375 nan 8.360 nan 0.000 0.452 375 R N 0.349 120.878 120.500 0.049 0.000 2.115 375 R HA -0.042 4.293 4.340 -0.008 0.000 0.226 375 R C 2.385 178.714 176.300 0.048 0.000 1.100 375 R CA 0.851 56.978 56.100 0.044 0.000 0.980 375 R CB -0.419 29.906 30.300 0.041 0.000 0.875 375 R HN 0.405 nan 8.270 nan 0.000 0.445 376 Q N 0.043 119.877 119.800 0.057 0.000 2.084 376 Q HA -0.053 4.282 4.340 -0.008 0.000 0.202 376 Q C 2.183 178.207 176.000 0.040 0.000 0.978 376 Q CA 1.173 57.011 55.803 0.057 0.000 0.844 376 Q CB -0.102 28.680 28.738 0.073 0.000 0.898 376 Q HN 0.314 nan 8.270 nan 0.000 0.426 377 I N 0.611 121.205 120.570 0.040 0.000 2.179 377 I HA -0.259 3.906 4.170 -0.008 0.000 0.242 377 I C 2.439 178.581 176.117 0.041 0.000 1.088 377 I CA 0.917 62.234 61.300 0.028 0.000 1.357 377 I CB -0.457 37.564 38.000 0.035 0.000 1.051 377 I HN 0.150 nan 8.210 nan 0.000 0.409 378 A N 0.847 123.699 122.820 0.052 0.000 1.940 378 A HA -0.260 4.055 4.320 -0.008 0.000 0.219 378 A C 2.438 180.040 177.584 0.029 0.000 1.176 378 A CA 2.000 54.072 52.037 0.058 0.000 0.631 378 A CB -0.647 18.385 19.000 0.054 0.000 0.814 378 A HN 0.408 nan 8.150 nan 0.000 0.446 379 R N -0.981 119.530 120.500 0.019 0.000 2.062 379 R HA -0.023 4.312 4.340 -0.008 0.000 0.226 379 R C 2.039 178.330 176.300 -0.015 0.000 1.125 379 R CA 1.383 57.484 56.100 0.002 0.000 0.966 379 R CB -0.431 29.877 30.300 0.013 0.000 0.861 379 R HN 0.383 nan 8.270 nan 0.000 0.433 380 L N 1.225 122.443 121.223 -0.008 0.000 2.079 380 L HA -0.125 4.210 4.340 -0.008 0.000 0.210 380 L C 2.021 178.865 176.870 -0.045 0.000 1.081 380 L CA 2.479 57.305 54.840 -0.023 0.000 0.752 380 L CB -0.528 41.516 42.059 -0.024 0.000 0.896 380 L HN 0.473 nan 8.230 nan 0.000 0.433 381 T N -4.191 110.342 114.554 -0.036 0.000 3.129 381 T HA 0.019 4.364 4.350 -0.008 0.000 0.251 381 T C 0.727 175.238 174.700 -0.314 0.000 1.117 381 T CA -0.108 61.950 62.100 -0.071 0.000 1.034 381 T CB -0.482 68.468 68.868 0.136 0.000 0.968 381 T HN 0.249 nan 8.240 nan 0.000 0.526 382 D N 2.551 122.821 120.400 -0.217 0.000 2.347 382 D HA 0.078 4.713 4.640 -0.008 0.000 0.235 382 D C 1.332 177.507 176.300 -0.207 0.000 1.149 382 D CA -0.309 53.536 54.000 -0.258 0.000 0.850 382 D CB 1.300 42.031 40.800 -0.114 0.000 1.061 382 D HN 0.610 nan 8.370 nan 0.000 0.487 383 E N 3.478 123.527 120.200 -0.252 0.000 2.209 383 E HA -0.212 4.133 4.350 -0.008 0.000 0.196 383 E C 1.113 177.662 176.600 -0.085 0.000 0.993 383 E CA 0.777 57.093 56.400 -0.141 0.000 0.819 383 E CB 0.052 29.683 29.700 -0.116 0.000 0.745 383 E HN 0.382 nan 8.360 nan 0.000 0.477 384 R N 0.118 120.569 120.500 -0.081 0.000 2.236 384 R HA 0.120 4.455 4.340 -0.008 0.000 0.208 384 R C 1.872 178.146 176.300 -0.044 0.000 1.036 384 R CA 0.740 56.810 56.100 -0.050 0.000 1.001 384 R CB 0.090 30.367 30.300 -0.039 0.000 0.896 384 R HN 0.299 nan 8.270 nan 0.000 0.464 385 L N 0.215 121.407 121.223 -0.053 0.000 2.781 385 L HA 0.100 4.435 4.340 -0.008 0.000 0.245 385 L C 0.678 177.526 176.870 -0.037 0.000 1.118 385 L CA -0.086 54.730 54.840 -0.040 0.000 0.918 385 L CB 0.134 42.171 42.059 -0.036 0.000 1.246 385 L HN 0.128 nan 8.230 nan 0.000 0.526 386 N N 0.837 119.508 118.700 -0.047 0.000 2.362 386 N HA -0.043 4.692 4.740 -0.008 0.000 0.204 386 N C 0.016 175.508 175.510 -0.030 0.000 1.166 386 N CA -0.284 52.743 53.050 -0.039 0.000 0.831 386 N CB -0.145 38.311 38.487 -0.051 0.000 1.008 386 N HN 0.064 nan 8.380 nan 0.000 0.472 387 R N -0.411 120.073 120.500 -0.027 0.000 3.205 387 R HA -0.159 4.176 4.340 -0.008 0.000 0.249 387 R C 0.791 177.080 176.300 -0.019 0.000 0.937 387 R CA 0.456 56.543 56.100 -0.022 0.000 0.641 387 R CB -2.094 28.195 30.300 -0.018 0.000 1.114 387 R HN 0.619 nan 8.270 nan 0.000 0.451 388 G N -0.843 107.944 108.800 -0.021 0.000 2.194 388 G HA2 -0.310 3.645 3.960 -0.008 0.000 0.236 388 G HA3 -0.310 3.645 3.960 -0.008 0.000 0.236 388 G C 0.282 175.172 174.900 -0.017 0.000 0.987 388 G CA 0.097 45.188 45.100 -0.016 0.000 0.635 388 G HN 0.278 nan 8.290 nan 0.000 0.520 389 L N 1.674 122.883 121.223 -0.023 0.000 2.436 389 L HA 0.400 4.735 4.340 -0.008 0.000 0.265 389 L C -1.592 175.263 176.870 -0.024 0.000 1.168 389 L CA -1.961 52.865 54.840 -0.024 0.000 0.815 389 L CB 0.603 42.647 42.059 -0.025 0.000 1.109 389 L HN -0.081 nan 8.230 nan 0.000 0.462 390 P HA 0.026 nan 4.420 nan 0.000 0.267 390 P C -2.456 174.877 177.300 0.054 0.000 1.200 390 P CA -0.846 62.259 63.100 0.007 0.000 0.772 390 P CB -0.183 31.417 31.700 -0.166 0.000 0.855 391 P HA -0.020 nan 4.420 nan 0.000 0.262 391 P C -0.269 177.084 177.300 0.088 0.000 1.199 391 P CA 0.384 63.434 63.100 -0.085 0.000 0.763 391 P CB -0.230 31.467 31.700 -0.005 0.000 0.790 392 F N 1.760 121.808 119.950 0.163 0.000 3.084 392 F HA -0.240 4.282 4.527 -0.008 0.000 0.286 392 F C 1.310 177.282 175.800 0.288 0.000 0.855 392 F CA 0.285 58.404 58.000 0.199 0.000 1.091 392 F CB -2.632 36.477 39.000 0.182 0.000 1.177 392 F HN 0.273 nan 8.300 nan 0.000 0.542 393 L N -1.666 119.721 121.223 0.273 0.000 3.839 393 L HA -0.319 4.016 4.340 -0.008 0.000 0.416 393 L C 1.364 178.393 176.870 0.266 0.000 1.195 393 L CA 1.047 56.026 54.840 0.232 0.000 0.946 393 L CB -1.950 40.249 42.059 0.234 0.000 1.891 393 L HN 0.704 nan 8.230 nan 0.000 0.963 394 H N 0.391 119.591 119.070 0.217 0.000 2.671 394 H HA 0.664 5.215 4.556 -0.008 0.000 0.372 394 H C 0.301 175.688 175.328 0.099 0.000 1.227 394 H CA -0.402 55.731 56.048 0.141 0.000 1.426 394 H CB 0.917 30.751 29.762 0.120 0.000 1.480 394 H HN 0.297 nan 8.280 nan 0.000 0.611 395 R N -0.314 120.180 120.500 -0.010 0.000 2.912 395 R HA 0.484 4.819 4.340 -0.008 0.000 0.262 395 R C -0.370 176.023 176.300 0.156 0.000 1.057 395 R CA -0.278 55.792 56.100 -0.050 0.000 0.981 395 R CB 2.038 32.336 30.300 -0.003 0.000 1.201 395 R HN 1.101 nan 8.270 nan 0.000 0.484 396 G N 1.178 110.045 108.800 0.112 0.000 2.796 396 G HA2 -0.178 3.777 3.960 -0.008 0.000 0.571 396 G HA3 -0.178 3.777 3.960 -0.008 0.000 0.571 396 G C -2.755 172.270 174.900 0.208 0.000 1.370 396 G CA -1.224 43.954 45.100 0.131 0.000 0.856 396 G HN 0.372 nan 8.290 nan 0.000 0.538 397 P HA 0.457 nan 4.420 nan 0.000 0.268 397 P C 0.359 177.685 177.300 0.043 0.000 1.205 397 P CA 0.761 63.924 63.100 0.104 0.000 0.771 397 P CB 0.724 32.451 31.700 0.046 0.000 0.858 398 A N 2.842 125.659 122.820 -0.006 0.000 2.425 398 A HA 0.519 4.834 4.320 -0.008 0.000 0.249 398 A C 1.493 178.971 177.584 -0.176 0.000 1.084 398 A CA 0.759 52.594 52.037 -0.338 0.000 0.781 398 A CB -0.882 18.007 19.000 -0.185 0.000 1.019 398 A HN 0.800 nan 8.150 nan 0.000 0.490 399 G N 0.422 109.103 108.800 -0.198 0.000 3.586 399 G HA2 -0.287 3.668 3.960 -0.008 0.000 0.212 399 G HA3 -0.287 3.668 3.960 -0.008 0.000 0.212 399 G C 1.063 175.916 174.900 -0.079 0.000 1.411 399 G CA 0.423 45.466 45.100 -0.095 0.000 0.898 399 G HN 0.851 nan 8.290 nan 0.000 0.575 400 L N 1.120 122.306 121.223 -0.063 0.000 2.201 400 L HA 0.150 4.485 4.340 -0.008 0.000 0.212 400 L C 0.772 177.616 176.870 -0.043 0.000 1.105 400 L CA 0.902 55.719 54.840 -0.038 0.000 0.775 400 L CB -0.292 41.757 42.059 -0.016 0.000 0.913 400 L HN 0.308 nan 8.230 nan 0.000 0.440 401 N N -1.395 117.263 118.700 -0.071 0.000 2.258 401 N HA 0.214 4.949 4.740 -0.008 0.000 0.299 401 N C -0.135 175.314 175.510 -0.101 0.000 1.047 401 N CA -0.134 52.888 53.050 -0.046 0.000 0.814 401 N CB 2.159 40.682 38.487 0.060 0.000 1.413 401 N HN -0.229 nan 8.380 nan 0.000 0.478 402 S N 0.107 115.783 115.700 -0.041 0.000 2.603 402 S HA 0.250 4.715 4.470 -0.008 0.000 0.232 402 S C 1.266 175.911 174.600 0.075 0.000 1.016 402 S CA 0.048 58.233 58.200 -0.024 0.000 0.976 402 S CB 0.504 63.638 63.200 -0.110 0.000 0.921 402 S HN 0.932 nan 8.310 nan 0.000 0.516 403 G N 2.497 111.342 108.800 0.075 0.000 2.660 403 G HA2 -0.351 3.604 3.960 -0.008 0.000 0.321 403 G HA3 -0.351 3.604 3.960 -0.008 0.000 0.321 403 G C 0.277 175.093 174.900 -0.141 0.000 1.246 403 G CA 0.888 45.999 45.100 0.018 0.000 1.000 403 G HN 0.472 nan 8.290 nan 0.000 0.550 404 F N 1.256 121.290 119.950 0.140 0.000 2.664 404 F HA 0.460 4.982 4.527 -0.008 0.000 0.301 404 F C 2.431 178.259 175.800 0.047 0.000 1.126 404 F CA 0.925 58.982 58.000 0.095 0.000 1.373 404 F CB 0.141 39.214 39.000 0.121 0.000 1.042 404 F HN 0.319 nan 8.300 nan 0.000 0.535 405 M N 0.031 119.641 119.600 0.017 0.000 2.202 405 M HA -0.139 4.336 4.480 -0.008 0.000 0.262 405 M C 2.272 178.441 176.300 -0.219 0.000 1.063 405 M CA 2.171 57.206 55.300 -0.442 0.000 1.097 405 M CB -0.361 31.687 32.600 -0.919 0.000 1.382 405 M HN 0.297 nan 8.290 nan 0.000 0.413 406 G N -1.001 107.735 108.800 -0.107 0.000 2.396 406 G HA2 -0.017 3.938 3.960 -0.008 0.000 0.214 406 G HA3 -0.017 3.938 3.960 -0.008 0.000 0.214 406 G C 1.464 176.369 174.900 0.008 0.000 1.166 406 G CA 0.591 45.654 45.100 -0.061 0.000 0.793 406 G HN 0.594 nan 8.290 nan 0.000 0.533 407 A N 0.057 122.919 122.820 0.070 0.000 1.972 407 A HA -0.071 4.244 4.320 -0.008 0.000 0.219 407 A C 2.246 179.896 177.584 0.111 0.000 1.169 407 A CA 1.960 54.068 52.037 0.117 0.000 0.635 407 A CB -0.374 18.771 19.000 0.241 0.000 0.810 407 A HN 0.376 nan 8.150 nan 0.000 0.446 408 Q N 0.075 119.954 119.800 0.131 0.000 2.079 408 Q HA -0.113 4.222 4.340 -0.008 0.000 0.200 408 Q C 2.073 178.121 176.000 0.081 0.000 0.974 408 Q CA 1.972 57.850 55.803 0.126 0.000 0.840 408 Q CB -0.259 28.602 28.738 0.205 0.000 0.898 408 Q HN 0.423 nan 8.270 nan 0.000 0.430 409 V N 0.551 120.494 119.914 0.047 0.000 2.427 409 V HA -0.203 3.912 4.120 -0.008 0.000 0.248 409 V C 2.349 178.461 176.094 0.029 0.000 1.051 409 V CA 2.022 64.339 62.300 0.028 0.000 1.048 409 V CB -0.785 31.036 31.823 -0.004 0.000 0.666 409 V HN 0.385 nan 8.190 nan 0.000 0.456 410 T N 0.437 115.009 114.554 0.030 0.000 2.759 410 T HA -0.189 4.156 4.350 -0.008 0.000 0.269 410 T C 2.052 176.773 174.700 0.037 0.000 1.042 410 T CA 1.639 63.756 62.100 0.029 0.000 1.140 410 T CB -0.384 68.502 68.868 0.030 0.000 0.864 410 T HN 0.577 nan 8.240 nan 0.000 0.455 411 A N 1.196 124.044 122.820 0.046 0.000 1.902 411 A HA -0.129 4.186 4.320 -0.008 0.000 0.217 411 A C 2.561 180.173 177.584 0.047 0.000 1.181 411 A CA 2.100 54.167 52.037 0.050 0.000 0.623 411 A CB -1.226 17.807 19.000 0.056 0.000 0.818 411 A HN 0.474 nan 8.150 nan 0.000 0.443 412 T N 0.351 114.931 114.554 0.044 0.000 2.746 412 T HA -0.039 4.306 4.350 -0.008 0.000 0.267 412 T C 2.227 176.945 174.700 0.030 0.000 1.039 412 T CA 1.624 63.746 62.100 0.038 0.000 1.142 412 T CB -0.480 68.410 68.868 0.038 0.000 0.866 412 T HN 0.608 nan 8.240 nan 0.000 0.444 413 A N 1.264 124.100 122.820 0.028 0.000 1.908 413 A HA -0.018 4.297 4.320 -0.008 0.000 0.218 413 A C 2.312 179.911 177.584 0.025 0.000 1.181 413 A CA 1.271 53.321 52.037 0.022 0.000 0.627 413 A CB -0.869 18.142 19.000 0.019 0.000 0.818 413 A HN 0.483 nan 8.150 nan 0.000 0.445 414 L N -1.212 120.030 121.223 0.031 0.000 2.046 414 L HA -0.163 4.172 4.340 -0.008 0.000 0.208 414 L C 2.572 179.464 176.870 0.036 0.000 1.077 414 L CA 1.206 56.067 54.840 0.036 0.000 0.747 414 L CB -0.556 41.530 42.059 0.045 0.000 0.896 414 L HN 0.477 nan 8.230 nan 0.000 0.432 415 L N 0.287 121.531 121.223 0.035 0.000 2.017 415 L HA -0.126 4.209 4.340 -0.008 0.000 0.208 415 L C 2.663 179.542 176.870 0.015 0.000 1.073 415 L CA 1.990 56.845 54.840 0.024 0.000 0.745 415 L CB -0.732 41.341 42.059 0.023 0.000 0.894 415 L HN 0.135 nan 8.230 nan 0.000 0.432 416 A N -0.799 122.031 122.820 0.017 0.000 1.908 416 A HA -0.304 4.011 4.320 -0.008 0.000 0.218 416 A C 2.341 179.933 177.584 0.012 0.000 1.181 416 A CA 2.010 54.054 52.037 0.013 0.000 0.627 416 A CB -0.795 18.213 19.000 0.014 0.000 0.818 416 A HN 0.651 nan 8.150 nan 0.000 0.445 417 E N -0.677 119.533 120.200 0.016 0.000 2.106 417 E HA -0.177 4.168 4.350 -0.008 0.000 0.192 417 E C 2.048 178.658 176.600 0.016 0.000 0.984 417 E CA 1.280 57.690 56.400 0.016 0.000 0.806 417 E CB -0.199 29.512 29.700 0.019 0.000 0.750 417 E HN 0.693 nan 8.360 nan 0.000 0.458 418 M N -0.013 119.598 119.600 0.017 0.000 2.108 418 M HA -0.165 4.311 4.480 -0.008 0.000 0.261 418 M C 2.315 178.619 176.300 0.006 0.000 1.066 418 M CA 1.520 56.829 55.300 0.014 0.000 1.107 418 M CB -0.228 32.377 32.600 0.008 0.000 1.356 418 M HN 0.006 nan 8.290 nan 0.000 0.406 419 R N 0.245 120.746 120.500 0.002 0.000 2.193 419 R HA -0.043 4.292 4.340 -0.008 0.000 0.229 419 R C 2.253 178.557 176.300 0.007 0.000 1.110 419 R CA 1.153 57.253 56.100 0.000 0.000 0.988 419 R CB -0.474 29.825 30.300 -0.002 0.000 0.871 419 R HN 0.390 nan 8.270 nan 0.000 0.458 420 A N 0.564 123.390 122.820 0.010 0.000 2.015 420 A HA -0.037 4.278 4.320 -0.008 0.000 0.219 420 A C 0.874 178.469 177.584 0.017 0.000 1.163 420 A CA 0.950 52.995 52.037 0.013 0.000 0.646 420 A CB 0.049 19.055 19.000 0.011 0.000 0.806 420 A HN 0.117 nan 8.150 nan 0.000 0.448 421 T N 0.249 114.815 114.554 0.019 0.000 2.767 421 T HA 0.544 4.889 4.350 -0.008 0.000 0.284 421 T C 0.446 175.168 174.700 0.036 0.000 0.973 421 T CA 0.075 62.192 62.100 0.027 0.000 0.996 421 T CB 1.502 70.385 68.868 0.026 0.000 0.927 421 T HN 0.384 nan 8.240 nan 0.000 0.456 422 G N 3.011 111.845 108.800 0.057 0.000 2.795 422 G HA2 0.668 4.623 3.960 -0.008 0.000 0.267 422 G HA3 0.668 4.623 3.960 -0.008 0.000 0.267 422 G C -2.656 172.292 174.900 0.081 0.000 1.362 422 G CA -1.653 43.485 45.100 0.063 0.000 1.048 422 G HN 0.434 nan 8.290 nan 0.000 0.547 423 P HA 0.236 nan 4.420 nan 0.000 0.265 423 P C 0.349 177.715 177.300 0.110 0.000 1.187 423 P CA 0.412 63.548 63.100 0.061 0.000 0.766 423 P CB 1.261 32.973 31.700 0.019 0.000 0.820 424 A N 2.126 125.012 122.820 0.110 0.000 2.030 424 A HA -0.038 4.277 4.320 -0.008 0.000 0.215 424 A C 2.058 179.717 177.584 0.126 0.000 1.164 424 A CA 1.012 53.153 52.037 0.172 0.000 0.697 424 A CB -0.927 18.141 19.000 0.113 0.000 0.827 424 A HN 0.477 nan 8.150 nan 0.000 0.457 425 S N 0.600 116.326 115.700 0.044 0.000 2.400 425 S HA -0.170 4.295 4.470 -0.008 0.000 0.232 425 S C 1.694 176.259 174.600 -0.058 0.000 1.025 425 S CA 1.518 59.722 58.200 0.007 0.000 0.993 425 S CB -0.665 62.539 63.200 0.006 0.000 0.808 425 S HN 0.799 nan 8.310 nan 0.000 0.478 426 I N -1.185 119.275 120.570 -0.183 0.000 3.334 426 I HA 0.041 4.206 4.170 -0.008 0.000 0.282 426 I C 0.669 176.556 176.117 -0.383 0.000 1.313 426 I CA 1.007 62.131 61.300 -0.292 0.000 1.396 426 I CB -0.362 37.417 38.000 -0.367 0.000 1.054 426 I HN 0.169 nan 8.210 nan 0.000 0.495 427 H N 1.175 120.256 119.070 0.018 0.000 2.524 427 H HA 0.316 4.868 4.556 -0.006 0.000 0.299 427 H C 0.642 175.982 175.328 0.019 0.000 1.074 427 H CA -0.242 55.816 56.048 0.017 0.000 1.115 427 H CB 0.089 29.861 29.762 0.017 0.000 1.522 427 H HN 0.304 nan 8.280 nan 0.000 0.543 428 S N 1.236 116.979 115.700 0.072 0.000 2.552 428 S HA 0.186 4.651 4.470 -0.008 0.000 0.289 428 S C 0.292 174.929 174.600 0.063 0.000 1.304 428 S CA -0.174 58.063 58.200 0.062 0.000 1.063 428 S CB 0.027 63.249 63.200 0.037 0.000 0.848 428 S HN 0.306 nan 8.310 nan 0.000 0.499 429 I N 3.333 123.938 120.570 0.059 0.000 2.534 429 I HA 0.203 4.369 4.170 -0.008 0.000 0.288 429 I C 0.020 176.162 176.117 0.042 0.000 1.077 429 I CA -0.635 60.695 61.300 0.050 0.000 1.051 429 I CB 2.099 40.129 38.000 0.050 0.000 1.234 429 I HN 0.577 nan 8.210 nan 0.000 0.425 430 S N 4.120 119.842 115.700 0.036 0.000 2.515 430 S HA 0.207 4.672 4.470 -0.008 0.000 0.285 430 S C -0.161 174.459 174.600 0.033 0.000 1.265 430 S CA 0.447 58.668 58.200 0.034 0.000 1.079 430 S CB 0.191 63.409 63.200 0.030 0.000 0.877 430 S HN 0.767 nan 8.310 nan 0.000 0.493 431 T N 3.210 117.785 114.554 0.035 0.000 2.669 431 T HA 0.421 4.766 4.350 -0.008 0.000 0.283 431 T C -0.237 174.484 174.700 0.034 0.000 1.019 431 T CA -0.149 61.971 62.100 0.033 0.000 1.039 431 T CB 0.798 69.687 68.868 0.034 0.000 1.374 431 T HN 0.907 nan 8.240 nan 0.000 0.523 432 N N 0.594 119.314 118.700 0.034 0.000 2.714 432 N HA -0.230 4.505 4.740 -0.008 0.000 0.253 432 N C 0.280 175.811 175.510 0.035 0.000 1.024 432 N CA 0.736 53.809 53.050 0.038 0.000 0.726 432 N CB -1.177 37.335 38.487 0.041 0.000 0.908 432 N HN 1.493 nan 8.380 nan 0.000 0.542 433 A N -0.449 122.389 122.820 0.030 0.000 2.783 433 A HA 0.007 4.322 4.320 -0.008 0.000 0.292 433 A C 1.344 178.944 177.584 0.028 0.000 1.495 433 A CA 2.032 54.085 52.037 0.027 0.000 0.787 433 A CB -2.278 16.738 19.000 0.026 0.000 1.017 433 A HN 2.276 nan 8.150 nan 0.000 0.516 434 A N -2.301 120.537 122.820 0.029 0.000 3.413 434 A HA -0.368 3.947 4.320 -0.008 0.000 0.268 434 A C 1.422 179.026 177.584 0.033 0.000 1.128 434 A CA 2.082 54.137 52.037 0.029 0.000 1.062 434 A CB -2.531 16.483 19.000 0.025 0.000 1.121 434 A HN 2.260 nan 8.150 nan 0.000 0.895 435 N N 0.026 118.748 118.700 0.036 0.000 2.142 435 N HA -0.096 4.639 4.740 -0.008 0.000 0.186 435 N C 0.977 176.516 175.510 0.048 0.000 1.023 435 N CA 1.869 54.944 53.050 0.041 0.000 0.852 435 N CB -0.171 38.343 38.487 0.046 0.000 0.998 435 N HN 0.753 nan 8.380 nan 0.000 0.424 436 Q N 0.551 120.380 119.800 0.047 0.000 3.091 436 Q HA 0.071 4.406 4.340 -0.008 0.000 0.301 436 Q C -0.434 175.597 176.000 0.051 0.000 1.337 436 Q CA -0.278 55.559 55.803 0.056 0.000 1.083 436 Q CB 0.575 29.342 28.738 0.048 0.000 1.477 436 Q HN 0.508 nan 8.270 nan 0.000 0.537 437 D N -0.403 120.025 120.400 0.047 0.000 2.348 437 D HA -0.079 4.556 4.640 -0.008 0.000 0.216 437 D C 0.665 176.989 176.300 0.039 0.000 0.970 437 D CA 0.413 54.436 54.000 0.039 0.000 0.889 437 D CB 0.102 40.921 40.800 0.032 0.000 0.912 437 D HN 0.210 nan 8.370 nan 0.000 0.524 438 V N -1.742 118.201 119.914 0.047 0.000 2.686 438 V HA 0.746 4.861 4.120 -0.008 0.000 0.306 438 V C -0.412 175.718 176.094 0.061 0.000 1.065 438 V CA -1.196 61.132 62.300 0.046 0.000 0.894 438 V CB 1.847 33.691 31.823 0.036 0.000 1.004 438 V HN 0.099 nan 8.190 nan 0.000 0.424 439 V N 1.141 121.090 119.914 0.059 0.000 2.962 439 V HA 0.782 4.897 4.120 -0.008 0.000 0.313 439 V C 1.087 177.218 176.094 0.062 0.000 1.099 439 V CA 0.261 62.603 62.300 0.070 0.000 0.971 439 V CB 1.455 33.316 31.823 0.064 0.000 1.028 439 V HN 1.298 nan 8.190 nan 0.000 0.430 440 S N 2.314 118.056 115.700 0.069 0.000 2.406 440 S HA 0.092 4.557 4.470 -0.008 0.000 0.224 440 S C 1.140 175.772 174.600 0.053 0.000 1.030 440 S CA 1.118 59.351 58.200 0.056 0.000 0.958 440 S CB -0.849 62.388 63.200 0.061 0.000 0.811 440 S HN 1.395 nan 8.310 nan 0.000 0.489 441 L N 0.368 121.626 121.223 0.058 0.000 4.040 441 L HA -0.191 4.145 4.340 -0.008 0.000 0.410 441 L C 1.481 178.383 176.870 0.053 0.000 1.187 441 L CA 0.006 54.882 54.840 0.058 0.000 0.956 441 L CB -2.291 39.812 42.059 0.073 0.000 2.022 441 L HN 0.536 nan 8.230 nan 0.000 0.897 442 G N -0.417 108.413 108.800 0.049 0.000 2.422 442 G HA2 -0.197 3.758 3.960 -0.008 0.000 0.218 442 G HA3 -0.197 3.758 3.960 -0.008 0.000 0.218 442 G C 1.275 176.200 174.900 0.041 0.000 1.146 442 G CA 1.387 46.513 45.100 0.043 0.000 0.769 442 G HN 0.457 nan 8.290 nan 0.000 0.547 443 T N 1.412 115.989 114.554 0.038 0.000 2.737 443 T HA -0.038 4.307 4.350 -0.008 0.000 0.265 443 T C 2.381 177.103 174.700 0.036 0.000 1.038 443 T CA 0.987 63.106 62.100 0.033 0.000 1.144 443 T CB -0.142 68.741 68.868 0.025 0.000 0.866 443 T HN 0.264 nan 8.240 nan 0.000 0.434 444 I N 1.589 122.182 120.570 0.039 0.000 2.226 444 I HA -0.170 3.995 4.170 -0.008 0.000 0.245 444 I C 3.012 179.158 176.117 0.049 0.000 1.100 444 I CA 1.079 62.403 61.300 0.041 0.000 1.374 444 I CB -0.565 37.461 38.000 0.044 0.000 1.057 444 I HN 0.205 nan 8.210 nan 0.000 0.413 445 A N 0.884 123.738 122.820 0.056 0.000 1.883 445 A HA -0.222 4.093 4.320 -0.008 0.000 0.217 445 A C 2.540 180.161 177.584 0.061 0.000 1.186 445 A CA 2.119 54.193 52.037 0.060 0.000 0.624 445 A CB -0.917 18.119 19.000 0.059 0.000 0.822 445 A HN 0.445 nan 8.150 nan 0.000 0.444 446 A N -0.661 122.195 122.820 0.061 0.000 1.969 446 A HA -0.120 4.195 4.320 -0.008 0.000 0.218 446 A C 2.242 179.863 177.584 0.062 0.000 1.169 446 A CA 1.466 53.545 52.037 0.070 0.000 0.635 446 A CB -0.399 18.641 19.000 0.068 0.000 0.810 446 A HN 0.555 nan 8.150 nan 0.000 0.445 447 R N -0.588 119.942 120.500 0.050 0.000 2.090 447 R HA 0.069 4.404 4.340 -0.008 0.000 0.228 447 R C 1.936 178.264 176.300 0.046 0.000 1.110 447 R CA 1.170 57.297 56.100 0.045 0.000 0.973 447 R CB -0.382 29.939 30.300 0.034 0.000 0.869 447 R HN 0.495 nan 8.270 nan 0.000 0.440 448 L N -0.291 120.960 121.223 0.046 0.000 2.141 448 L HA -0.201 4.134 4.340 -0.008 0.000 0.209 448 L C 2.711 179.610 176.870 0.048 0.000 1.094 448 L CA 0.685 55.552 54.840 0.044 0.000 0.763 448 L CB -0.506 41.581 42.059 0.046 0.000 0.908 448 L HN 0.367 nan 8.230 nan 0.000 0.437 449 C N 0.399 119.730 119.300 0.052 0.000 2.446 449 C HA -0.152 4.303 4.460 -0.008 0.000 0.277 449 C C 3.105 178.133 174.990 0.063 0.000 1.275 449 C CA 0.862 59.910 59.018 0.050 0.000 1.727 449 C CB -0.511 27.258 27.740 0.048 0.000 2.010 449 C HN 0.503 nan 8.230 nan 0.000 0.486 450 R N 1.345 121.886 120.500 0.067 0.000 2.083 450 R HA -0.096 4.239 4.340 -0.008 0.000 0.237 450 R C 2.107 178.454 176.300 0.078 0.000 1.137 450 R CA 2.105 58.251 56.100 0.077 0.000 0.951 450 R CB -0.891 29.452 30.300 0.071 0.000 0.851 450 R HN 0.541 nan 8.270 nan 0.000 0.434 451 E N 0.768 121.006 120.200 0.064 0.000 2.085 451 E HA -0.195 4.150 4.350 -0.008 0.000 0.194 451 E C 1.893 178.536 176.600 0.072 0.000 0.994 451 E CA 1.474 57.910 56.400 0.060 0.000 0.801 451 E CB -0.149 29.579 29.700 0.046 0.000 0.743 451 E HN 0.438 nan 8.360 nan 0.000 0.453 452 K N 0.254 120.697 120.400 0.072 0.000 2.148 452 K HA -0.028 4.287 4.320 -0.008 0.000 0.204 452 K C 2.288 178.976 176.600 0.148 0.000 1.050 452 K CA 0.726 57.061 56.287 0.080 0.000 0.942 452 K CB -0.110 32.416 32.500 0.043 0.000 0.724 452 K HN 0.102 nan 8.250 nan 0.000 0.446 453 I N 1.379 122.047 120.570 0.165 0.000 2.286 453 I HA -0.270 3.896 4.170 -0.008 0.000 0.248 453 I C 1.518 177.753 176.117 0.197 0.000 1.115 453 I CA 1.121 62.571 61.300 0.250 0.000 1.392 453 I CB -0.210 37.904 38.000 0.190 0.000 1.065 453 I HN 0.139 nan 8.210 nan 0.000 0.418 454 D N 0.575 121.051 120.400 0.126 0.000 2.144 454 D HA -0.115 4.520 4.640 -0.008 0.000 0.200 454 D C 2.328 178.682 176.300 0.089 0.000 0.978 454 D CA 0.864 54.915 54.000 0.085 0.000 0.833 454 D CB -0.194 40.645 40.800 0.065 0.000 0.961 454 D HN 0.184 nan 8.370 nan 0.000 0.470 455 R N 0.010 120.579 120.500 0.115 0.000 2.075 455 R HA -0.112 4.223 4.340 -0.008 0.000 0.232 455 R C 2.127 178.537 176.300 0.183 0.000 1.126 455 R CA 0.454 56.622 56.100 0.114 0.000 0.963 455 R CB -1.051 29.307 30.300 0.097 0.000 0.858 455 R HN 0.339 nan 8.270 nan 0.000 0.435 456 W N 1.946 123.248 121.300 0.003 0.000 2.338 456 W HA -0.107 4.549 4.660 -0.008 0.000 0.304 456 W C 2.100 178.612 176.519 -0.011 0.000 1.212 456 W CA 1.465 58.812 57.345 0.003 0.000 1.264 456 W CB -0.656 28.813 29.460 0.015 0.000 1.142 456 W HN 0.140 nan 8.180 nan 0.000 0.512 457 A N 0.092 122.916 122.820 0.007 0.000 1.933 457 A HA -0.221 4.095 4.320 -0.008 0.000 0.218 457 A C 1.878 179.381 177.584 -0.134 0.000 1.175 457 A CA 1.944 53.871 52.037 -0.185 0.000 0.628 457 A CB -0.741 18.172 19.000 -0.144 0.000 0.814 457 A HN 0.464 nan 8.150 nan 0.000 0.444 458 E N -0.403 119.775 120.200 -0.036 0.000 2.107 458 E HA -0.084 4.261 4.350 -0.008 0.000 0.191 458 E C 1.830 178.419 176.600 -0.019 0.000 0.982 458 E CA 1.067 57.447 56.400 -0.033 0.000 0.809 458 E CB -0.224 29.479 29.700 0.005 0.000 0.756 458 E HN 0.699 nan 8.360 nan 0.000 0.459 459 I N 0.839 121.435 120.570 0.043 0.000 2.252 459 I HA -0.258 3.907 4.170 -0.008 0.000 0.245 459 I C 2.209 178.343 176.117 0.030 0.000 1.102 459 I CA 0.918 62.260 61.300 0.069 0.000 1.385 459 I CB -0.124 37.969 38.000 0.155 0.000 1.064 459 I HN 0.111 nan 8.210 nan 0.000 0.414 460 L N 0.437 121.654 121.223 -0.010 0.000 2.131 460 L HA -0.187 4.149 4.340 -0.008 0.000 0.210 460 L C 2.798 179.566 176.870 -0.169 0.000 1.092 460 L CA 1.155 55.943 54.840 -0.086 0.000 0.759 460 L CB -0.616 41.303 42.059 -0.234 0.000 0.903 460 L HN 0.245 nan 8.230 nan 0.000 0.435 461 A N 0.279 122.972 122.820 -0.212 0.000 1.898 461 A HA -0.159 4.156 4.320 -0.008 0.000 0.216 461 A C 2.198 179.667 177.584 -0.192 0.000 1.181 461 A CA 1.344 53.219 52.037 -0.271 0.000 0.620 461 A CB -0.563 18.282 19.000 -0.259 0.000 0.819 461 A HN 0.328 nan 8.150 nan 0.000 0.442 462 I N -0.734 119.772 120.570 -0.107 0.000 2.226 462 I HA -0.236 3.929 4.170 -0.008 0.000 0.245 462 I C 2.431 178.485 176.117 -0.105 0.000 1.100 462 I CA 1.278 62.541 61.300 -0.062 0.000 1.374 462 I CB -0.264 37.735 38.000 -0.002 0.000 1.057 462 I HN 0.404 nan 8.210 nan 0.000 0.413 463 L N 1.187 122.363 121.223 -0.078 0.000 2.083 463 L HA -0.139 4.196 4.340 -0.008 0.000 0.209 463 L C 2.506 179.320 176.870 -0.093 0.000 1.083 463 L CA 2.094 56.892 54.840 -0.071 0.000 0.752 463 L CB -0.767 41.291 42.059 -0.001 0.000 0.899 463 L HN 0.177 nan 8.230 nan 0.000 0.433 464 A N -0.597 122.163 122.820 -0.099 0.000 1.930 464 A HA -0.128 4.187 4.320 -0.008 0.000 0.217 464 A C 2.250 179.766 177.584 -0.112 0.000 1.175 464 A CA 1.845 53.837 52.037 -0.075 0.000 0.627 464 A CB -0.805 18.112 19.000 -0.137 0.000 0.815 464 A HN 0.503 nan 8.150 nan 0.000 0.443 465 L N -0.970 120.151 121.223 -0.169 0.000 2.093 465 L HA -0.212 4.123 4.340 -0.008 0.000 0.208 465 L C 2.669 179.347 176.870 -0.320 0.000 1.085 465 L CA 1.051 55.813 54.840 -0.131 0.000 0.755 465 L CB -0.638 41.417 42.059 -0.008 0.000 0.904 465 L HN 0.476 nan 8.230 nan 0.000 0.435 466 C N -0.209 118.756 119.300 -0.558 0.000 2.446 466 C HA -0.122 4.333 4.460 -0.008 0.000 0.277 466 C C 2.740 177.524 174.990 -0.343 0.000 1.275 466 C CA 0.412 58.952 59.018 -0.797 0.000 1.727 466 C CB -0.706 26.690 27.740 -0.572 0.000 2.010 466 C HN 0.427 nan 8.230 nan 0.000 0.486 467 L N 0.958 122.073 121.223 -0.180 0.000 2.093 467 L HA -0.133 4.203 4.340 -0.008 0.000 0.208 467 L C 2.858 179.711 176.870 -0.028 0.000 1.085 467 L CA 1.469 56.268 54.840 -0.068 0.000 0.755 467 L CB -0.678 41.375 42.059 -0.011 0.000 0.904 467 L HN 0.337 nan 8.230 nan 0.000 0.435 468 A N -0.358 122.451 122.820 -0.018 0.000 1.902 468 A HA -0.288 4.027 4.320 -0.008 0.000 0.217 468 A C 2.212 179.822 177.584 0.043 0.000 1.181 468 A CA 1.954 54.011 52.037 0.034 0.000 0.623 468 A CB -0.484 18.554 19.000 0.063 0.000 0.818 468 A HN 0.433 nan 8.150 nan 0.000 0.443 469 Q N -0.456 119.366 119.800 0.036 0.000 2.083 469 Q HA 0.040 4.375 4.340 -0.008 0.000 0.198 469 Q C 2.053 178.079 176.000 0.044 0.000 0.969 469 Q CA 1.847 57.704 55.803 0.090 0.000 0.838 469 Q CB -0.457 28.414 28.738 0.222 0.000 0.900 469 Q HN 0.541 nan 8.270 nan 0.000 0.436 470 A N 0.439 123.255 122.820 -0.007 0.000 1.902 470 A HA -0.060 4.256 4.320 -0.008 0.000 0.217 470 A C 2.295 179.884 177.584 0.007 0.000 1.181 470 A CA 1.661 53.694 52.037 -0.007 0.000 0.623 470 A CB -1.154 17.827 19.000 -0.031 0.000 0.818 470 A HN 0.540 nan 8.150 nan 0.000 0.443 471 A N -0.049 122.779 122.820 0.014 0.000 1.902 471 A HA -0.184 4.131 4.320 -0.008 0.000 0.217 471 A C 1.916 179.514 177.584 0.024 0.000 1.181 471 A CA 1.700 53.750 52.037 0.022 0.000 0.623 471 A CB -0.495 18.524 19.000 0.031 0.000 0.818 471 A HN 0.657 nan 8.150 nan 0.000 0.443 472 E N -0.253 119.965 120.200 0.030 0.000 2.107 472 E HA -0.060 4.285 4.350 -0.008 0.000 0.191 472 E C 1.922 178.535 176.600 0.021 0.000 0.982 472 E CA 0.877 57.295 56.400 0.030 0.000 0.809 472 E CB -0.251 29.474 29.700 0.041 0.000 0.756 472 E HN 0.604 nan 8.360 nan 0.000 0.459 473 L N 0.541 121.775 121.223 0.018 0.000 2.093 473 L HA -0.158 4.177 4.340 -0.008 0.000 0.208 473 L C 2.643 179.514 176.870 0.001 0.000 1.085 473 L CA 0.972 55.815 54.840 0.005 0.000 0.755 473 L CB -0.160 41.898 42.059 -0.001 0.000 0.904 473 L HN 0.018 nan 8.230 nan 0.000 0.435 474 R N -0.421 120.082 120.500 0.005 0.000 2.080 474 R HA -0.034 4.301 4.340 -0.008 0.000 0.222 474 R C 1.781 178.085 176.300 0.007 0.000 1.107 474 R CA 1.515 57.617 56.100 0.003 0.000 0.980 474 R CB -0.329 29.974 30.300 0.004 0.000 0.879 474 R HN 0.339 nan 8.270 nan 0.000 0.439 475 C N 0.121 119.428 119.300 0.011 0.000 3.183 475 C HA 0.649 5.104 4.460 -0.008 0.000 0.285 475 C C 0.650 175.649 174.990 0.014 0.000 1.313 475 C CA -0.278 58.748 59.018 0.013 0.000 1.711 475 C CB -0.703 27.047 27.740 0.016 0.000 2.135 475 C HN 0.738 nan 8.230 nan 0.000 0.651 476 G N 1.670 110.478 108.800 0.013 0.000 2.781 476 G HA2 -0.153 3.802 3.960 -0.008 0.000 0.683 476 G HA3 -0.153 3.802 3.960 -0.008 0.000 0.683 476 G C 0.718 175.629 174.900 0.019 0.000 1.390 476 G CA 0.083 45.191 45.100 0.014 0.000 0.850 476 G HN 0.782 nan 8.290 nan 0.000 0.557 477 S N -0.828 114.884 115.700 0.019 0.000 2.440 477 S HA 0.056 4.521 4.470 -0.008 0.000 0.238 477 S C 2.328 176.942 174.600 0.023 0.000 1.010 477 S CA 1.888 60.102 58.200 0.023 0.000 0.972 477 S CB -0.156 63.057 63.200 0.021 0.000 0.774 477 S HN 2.167 nan 8.310 nan 0.000 0.501 478 G N 0.727 109.538 108.800 0.019 0.000 2.985 478 G HA2 0.380 4.335 3.960 -0.008 0.000 0.209 478 G HA3 0.380 4.335 3.960 -0.008 0.000 0.209 478 G C 0.521 175.433 174.900 0.020 0.000 1.165 478 G CA -0.153 44.958 45.100 0.018 0.000 0.776 478 G HN 0.598 nan 8.290 nan 0.000 0.541 479 L N 1.003 122.239 121.223 0.021 0.000 3.660 479 L HA -0.145 4.190 4.340 -0.008 0.000 0.440 479 L C -0.911 175.971 176.870 0.020 0.000 1.262 479 L CA -0.125 54.728 54.840 0.023 0.000 0.837 479 L CB -1.700 40.375 42.059 0.027 0.000 1.689 479 L HN 0.202 nan 8.230 nan 0.000 0.890 480 D N 1.394 121.804 120.400 0.017 0.000 2.450 480 D HA 0.297 4.932 4.640 -0.008 0.000 0.247 480 D C 1.366 177.675 176.300 0.015 0.000 1.162 480 D CA 1.383 55.391 54.000 0.014 0.000 0.879 480 D CB 1.316 42.123 40.800 0.012 0.000 1.163 480 D HN 0.541 nan 8.370 nan 0.000 0.472 481 G N 1.481 110.289 108.800 0.015 0.000 2.225 481 G HA2 -0.283 3.672 3.960 -0.008 0.000 0.254 481 G HA3 -0.283 3.672 3.960 -0.008 0.000 0.254 481 G C 0.470 175.381 174.900 0.018 0.000 0.988 481 G CA 0.086 45.194 45.100 0.015 0.000 0.625 481 G HN 0.521 nan 8.290 nan 0.000 0.527 482 V N 2.723 122.650 119.914 0.021 0.000 2.715 482 V HA 0.476 4.591 4.120 -0.008 0.000 0.299 482 V C 1.510 177.619 176.094 0.025 0.000 1.054 482 V CA 0.193 62.508 62.300 0.025 0.000 1.077 482 V CB 1.338 33.178 31.823 0.028 0.000 0.972 482 V HN 1.097 nan 8.190 nan 0.000 0.484 483 S N 5.097 120.815 115.700 0.030 0.000 2.569 483 S HA 0.106 4.571 4.470 -0.008 0.000 0.274 483 S C -1.694 172.919 174.600 0.022 0.000 1.353 483 S CA -0.580 57.636 58.200 0.028 0.000 1.023 483 S CB 0.414 63.635 63.200 0.036 0.000 0.876 483 S HN 0.583 nan 8.310 nan 0.000 0.540 484 P HA -0.052 nan 4.420 nan 0.000 0.215 484 P C 1.641 178.947 177.300 0.010 0.000 1.153 484 P CA 1.941 65.049 63.100 0.013 0.000 0.853 484 P CB -0.244 31.462 31.700 0.009 0.000 0.788 485 A N -0.260 122.564 122.820 0.007 0.000 1.902 485 A HA -0.070 4.245 4.320 -0.008 0.000 0.217 485 A C 2.488 180.073 177.584 0.002 0.000 1.181 485 A CA 2.049 54.083 52.037 -0.006 0.000 0.623 485 A CB -1.879 17.113 19.000 -0.014 0.000 0.818 485 A HN 0.269 nan 8.150 nan 0.000 0.443 486 G N -0.351 108.460 108.800 0.018 0.000 2.418 486 G HA2 -0.231 3.724 3.960 -0.008 0.000 0.217 486 G HA3 -0.231 3.724 3.960 -0.008 0.000 0.217 486 G C 1.689 176.610 174.900 0.035 0.000 1.158 486 G CA 1.142 46.260 45.100 0.030 0.000 0.771 486 G HN 0.568 nan 8.290 nan 0.000 0.545 487 K N 0.178 120.595 120.400 0.030 0.000 2.026 487 K HA -0.054 4.261 4.320 -0.008 0.000 0.208 487 K C 2.453 179.074 176.600 0.034 0.000 1.048 487 K CA 1.327 57.633 56.287 0.032 0.000 0.929 487 K CB -0.155 32.360 32.500 0.025 0.000 0.713 487 K HN 0.242 nan 8.250 nan 0.000 0.439 488 K N 1.358 121.773 120.400 0.026 0.000 2.063 488 K HA -0.150 4.165 4.320 -0.008 0.000 0.208 488 K C 2.149 178.774 176.600 0.041 0.000 1.048 488 K CA 1.063 57.366 56.287 0.026 0.000 0.928 488 K CB -0.089 32.417 32.500 0.010 0.000 0.713 488 K HN 0.120 nan 8.250 nan 0.000 0.442 489 L N 0.540 121.787 121.223 0.040 0.000 2.027 489 L HA -0.157 4.178 4.340 -0.008 0.000 0.206 489 L C 2.057 178.998 176.870 0.118 0.000 1.074 489 L CA 1.053 55.938 54.840 0.074 0.000 0.745 489 L CB -0.137 41.952 42.059 0.049 0.000 0.898 489 L HN 0.014 nan 8.230 nan 0.000 0.433 490 V N 0.039 120.008 119.914 0.092 0.000 2.295 490 V HA -0.312 3.803 4.120 -0.008 0.000 0.246 490 V C 2.483 178.632 176.094 0.091 0.000 1.049 490 V CA 2.045 64.401 62.300 0.094 0.000 1.024 490 V CB -0.667 31.198 31.823 0.071 0.000 0.648 490 V HN 0.546 nan 8.190 nan 0.000 0.447 491 Q N -0.051 119.792 119.800 0.071 0.000 2.096 491 Q HA -0.206 4.129 4.340 -0.008 0.000 0.204 491 Q C 2.425 178.466 176.000 0.070 0.000 0.982 491 Q CA 1.900 57.740 55.803 0.060 0.000 0.850 491 Q CB -0.475 28.290 28.738 0.044 0.000 0.901 491 Q HN 0.678 nan 8.270 nan 0.000 0.422 492 A N 0.826 123.697 122.820 0.085 0.000 1.902 492 A HA -0.167 4.148 4.320 -0.008 0.000 0.217 492 A C 2.071 179.726 177.584 0.118 0.000 1.181 492 A CA 1.135 53.229 52.037 0.095 0.000 0.623 492 A CB -0.677 18.397 19.000 0.124 0.000 0.818 492 A HN 0.297 nan 8.150 nan 0.000 0.443 493 L N -1.110 120.212 121.223 0.165 0.000 2.046 493 L HA -0.140 4.195 4.340 -0.008 0.000 0.208 493 L C 2.636 179.647 176.870 0.234 0.000 1.077 493 L CA 0.924 55.905 54.840 0.235 0.000 0.747 493 L CB -0.393 41.786 42.059 0.200 0.000 0.896 493 L HN 0.271 nan 8.230 nan 0.000 0.432 494 R N 0.264 120.850 120.500 0.143 0.000 2.285 494 R HA -0.119 4.216 4.340 -0.008 0.000 0.213 494 R C 1.822 178.145 176.300 0.038 0.000 1.068 494 R CA 0.653 56.815 56.100 0.102 0.000 1.004 494 R CB -0.319 30.028 30.300 0.078 0.000 0.873 494 R HN 0.538 nan 8.270 nan 0.000 0.467 495 E N 0.034 120.245 120.200 0.017 0.000 2.150 495 E HA -0.144 4.201 4.350 -0.008 0.000 0.193 495 E C 1.476 178.003 176.600 -0.122 0.000 0.985 495 E CA 0.835 57.213 56.400 -0.037 0.000 0.814 495 E CB 0.269 29.951 29.700 -0.030 0.000 0.752 495 E HN 0.217 nan 8.360 nan 0.000 0.466 496 Q N -1.209 118.461 119.800 -0.216 0.000 2.322 496 Q HA 0.132 4.467 4.340 -0.008 0.000 0.250 496 Q C -0.375 175.158 176.000 -0.780 0.000 0.853 496 Q CA 0.276 55.753 55.803 -0.542 0.000 0.951 496 Q CB 0.901 29.159 28.738 -0.801 0.000 1.114 496 Q HN 0.117 nan 8.270 nan 0.000 0.523 497 F N 2.188 122.128 119.950 -0.017 0.000 2.366 497 F HA 0.421 4.943 4.527 -0.008 0.000 0.366 497 F C -2.132 173.680 175.800 0.020 0.000 1.096 497 F CA -2.644 55.357 58.000 0.002 0.000 1.060 497 F CB 1.284 40.288 39.000 0.007 0.000 1.282 497 F HN -0.196 nan 8.300 nan 0.000 0.450 498 P HA 0.124 nan 4.420 nan 0.000 0.272 498 P C -2.309 175.061 177.300 0.118 0.000 1.223 498 P CA -0.921 62.231 63.100 0.087 0.000 0.784 498 P CB 0.017 31.742 31.700 0.043 0.000 0.923 499 P HA 0.028 nan 4.420 nan 0.000 0.271 499 P C -0.701 176.651 177.300 0.085 0.000 1.233 499 P CA -0.074 63.092 63.100 0.109 0.000 0.789 499 P CB 0.487 32.236 31.700 0.081 0.000 0.951 500 L N 1.722 123.000 121.223 0.091 0.000 2.315 500 L HA 0.182 4.517 4.340 -0.008 0.000 0.278 500 L C 1.261 178.138 176.870 0.012 0.000 1.088 500 L CA 0.353 55.194 54.840 0.002 0.000 0.899 500 L CB -0.543 41.432 42.059 -0.140 0.000 1.277 500 L HN 0.302 nan 8.230 nan 0.000 0.431 501 E N 1.117 121.325 120.200 0.013 0.000 2.230 501 E HA 0.025 4.370 4.350 -0.008 0.000 0.192 501 E C 0.161 176.772 176.600 0.017 0.000 0.987 501 E CA 0.552 56.963 56.400 0.018 0.000 0.841 501 E CB 0.413 30.124 29.700 0.018 0.000 0.783 501 E HN 0.588 nan 8.360 nan 0.000 0.481 502 T N 0.045 114.599 114.554 0.000 0.000 2.889 502 T HA 0.115 4.460 4.350 -0.008 0.000 0.315 502 T C -1.782 172.898 174.700 -0.033 0.000 1.291 502 T CA -1.005 61.095 62.100 0.001 0.000 1.028 502 T CB 1.317 70.187 68.868 0.003 0.000 1.235 502 T HN -0.225 nan 8.240 nan 0.000 0.491 503 D N 2.680 123.057 120.400 -0.038 0.000 2.506 503 D HA 0.347 4.982 4.640 -0.008 0.000 0.234 503 D C 0.600 176.860 176.300 -0.068 0.000 1.143 503 D CA 0.706 54.662 54.000 -0.074 0.000 0.871 503 D CB 0.367 41.130 40.800 -0.062 0.000 1.190 503 D HN 0.693 nan 8.370 nan 0.000 0.459 504 R N 0.278 120.724 120.500 -0.089 0.000 2.692 504 R HA 0.599 4.934 4.340 -0.008 0.000 0.269 504 R C -3.147 173.115 176.300 -0.063 0.000 1.030 504 R CA -1.667 54.396 56.100 -0.061 0.000 0.882 504 R CB 0.279 30.552 30.300 -0.045 0.000 1.250 504 R HN 0.013 nan 8.270 nan 0.000 0.465 505 P HA 0.136 nan 4.420 nan 0.000 0.267 505 P C -0.300 176.990 177.300 -0.016 0.000 1.205 505 P CA -0.230 62.853 63.100 -0.027 0.000 0.765 505 P CB 0.579 32.271 31.700 -0.014 0.000 0.828 506 L N 1.695 122.910 121.223 -0.014 0.000 2.731 506 L HA 0.179 4.514 4.340 -0.008 0.000 0.240 506 L C 2.292 179.179 176.870 0.028 0.000 1.120 506 L CA 0.360 55.207 54.840 0.012 0.000 0.913 506 L CB -0.266 41.796 42.059 0.006 0.000 1.213 506 L HN 0.527 nan 8.230 nan 0.000 0.515 507 G N 0.139 108.950 108.800 0.017 0.000 2.476 507 G HA2 -0.302 3.653 3.960 -0.008 0.000 0.218 507 G HA3 -0.302 3.653 3.960 -0.008 0.000 0.218 507 G C 1.412 176.328 174.900 0.028 0.000 1.164 507 G CA 0.711 45.823 45.100 0.019 0.000 0.768 507 G HN 0.369 nan 8.290 nan 0.000 0.560 508 Q N -0.194 119.628 119.800 0.036 0.000 2.119 508 Q HA -0.057 4.278 4.340 -0.008 0.000 0.201 508 Q C 2.526 178.579 176.000 0.088 0.000 0.972 508 Q CA 1.184 57.016 55.803 0.049 0.000 0.847 508 Q CB -0.065 28.698 28.738 0.042 0.000 0.903 508 Q HN 0.624 nan 8.270 nan 0.000 0.433 509 E N 0.489 120.759 120.200 0.117 0.000 2.106 509 E HA -0.142 4.203 4.350 -0.008 0.000 0.192 509 E C 1.939 178.565 176.600 0.043 0.000 0.984 509 E CA 0.711 57.243 56.400 0.220 0.000 0.806 509 E CB 0.008 29.864 29.700 0.261 0.000 0.750 509 E HN 0.335 nan 8.360 nan 0.000 0.458 510 I N 1.146 121.710 120.570 -0.010 0.000 2.179 510 I HA -0.291 3.874 4.170 -0.008 0.000 0.242 510 I C 2.556 178.638 176.117 -0.059 0.000 1.088 510 I CA 1.058 62.315 61.300 -0.071 0.000 1.357 510 I CB -0.324 37.661 38.000 -0.025 0.000 1.051 510 I HN 0.094 nan 8.210 nan 0.000 0.409 511 A N 0.705 123.521 122.820 -0.006 0.000 1.902 511 A HA -0.175 4.140 4.320 -0.008 0.000 0.217 511 A C 2.542 180.138 177.584 0.020 0.000 1.181 511 A CA 1.928 53.968 52.037 0.004 0.000 0.623 511 A CB -0.882 18.130 19.000 0.020 0.000 0.818 511 A HN 0.441 nan 8.150 nan 0.000 0.443 512 A N -0.537 122.325 122.820 0.070 0.000 1.877 512 A HA -0.053 4.262 4.320 -0.008 0.000 0.216 512 A C 2.141 179.805 177.584 0.133 0.000 1.186 512 A CA 1.792 53.909 52.037 0.133 0.000 0.620 512 A CB -0.679 18.464 19.000 0.237 0.000 0.822 512 A HN 0.700 nan 8.150 nan 0.000 0.443 513 L N -0.219 121.019 121.223 0.026 0.000 2.083 513 L HA -0.043 4.292 4.340 -0.008 0.000 0.209 513 L C 2.658 179.432 176.870 -0.160 0.000 1.083 513 L CA 2.090 56.829 54.840 -0.167 0.000 0.752 513 L CB -0.846 40.830 42.059 -0.640 0.000 0.899 513 L HN 0.357 nan 8.230 nan 0.000 0.433 514 A N -1.602 121.129 122.820 -0.148 0.000 1.908 514 A HA -0.227 4.088 4.320 -0.008 0.000 0.218 514 A C 2.270 179.794 177.584 -0.100 0.000 1.181 514 A CA 2.336 54.282 52.037 -0.152 0.000 0.627 514 A CB -1.222 17.721 19.000 -0.095 0.000 0.818 514 A HN 0.501 nan 8.150 nan 0.000 0.445 515 T N -1.494 113.044 114.554 -0.026 0.000 2.788 515 T HA -0.156 4.189 4.350 -0.008 0.000 0.268 515 T C 1.837 176.545 174.700 0.014 0.000 1.044 515 T CA 1.892 63.997 62.100 0.009 0.000 1.139 515 T CB -0.367 68.526 68.868 0.042 0.000 0.867 515 T HN 0.809 nan 8.240 nan 0.000 0.454 516 H N 1.043 120.068 119.070 -0.075 0.000 2.333 516 H HA 0.136 4.687 4.556 -0.008 0.000 0.302 516 H C 2.026 177.268 175.328 -0.143 0.000 1.075 516 H CA 1.165 57.170 56.048 -0.071 0.000 1.348 516 H CB -0.468 29.276 29.762 -0.031 0.000 1.393 516 H HN 0.222 nan 8.280 nan 0.000 0.509 517 L N 0.047 121.068 121.223 -0.337 0.000 2.079 517 L HA -0.197 4.139 4.340 -0.008 0.000 0.210 517 L C 2.357 179.059 176.870 -0.279 0.000 1.081 517 L CA 1.152 55.644 54.840 -0.580 0.000 0.752 517 L CB -0.570 40.964 42.059 -0.875 0.000 0.896 517 L HN 0.336 nan 8.230 nan 0.000 0.433 518 L N -0.826 120.279 121.223 -0.197 0.000 2.362 518 L HA -0.183 4.152 4.340 -0.008 0.000 0.219 518 L C 2.232 179.074 176.870 -0.045 0.000 1.134 518 L CA 1.038 55.832 54.840 -0.077 0.000 0.807 518 L CB -0.246 41.800 42.059 -0.022 0.000 0.927 518 L HN 0.394 nan 8.230 nan 0.000 0.447 519 Q N -1.629 118.050 119.800 -0.201 0.000 2.316 519 Q HA 0.193 4.528 4.340 -0.008 0.000 0.235 519 Q C 0.020 175.590 176.000 -0.716 0.000 0.863 519 Q CA 0.068 55.721 55.803 -0.249 0.000 0.939 519 Q CB 1.072 29.767 28.738 -0.072 0.000 1.108 519 Q HN 0.447 nan 8.270 nan 0.000 0.522 520 Q N -0.385 118.936 119.800 -0.798 0.000 2.416 520 Q HA 0.490 4.825 4.340 -0.008 0.000 0.281 520 Q C -1.272 174.557 176.000 -0.285 0.000 1.067 520 Q CA -0.451 54.950 55.803 -0.671 0.000 0.809 520 Q CB 2.729 31.218 28.738 -0.415 0.000 1.418 520 Q HN -0.074 nan 8.270 nan 0.000 0.411 521 S N 1.678 117.290 115.700 -0.145 0.000 2.681 521 S HA 0.555 5.020 4.470 -0.008 0.000 0.299 521 S C -2.432 171.939 174.600 -0.382 0.000 1.113 521 S CA -1.191 56.882 58.200 -0.211 0.000 1.013 521 S CB 1.122 64.263 63.200 -0.098 0.000 1.076 521 S HN 0.428 nan 8.310 nan 0.000 0.534 522 P HA 0.208 nan 4.420 nan 0.000 0.247 522 P C -0.449 176.646 177.300 -0.343 0.000 1.756 522 P CA -0.141 62.551 63.100 -0.680 0.000 1.117 522 P CB -0.299 30.703 31.700 -1.163 0.000 1.869 523 V N 0.000 119.804 119.914 -0.183 0.000 2.409 523 V HA 0.000 4.115 4.120 -0.008 0.000 0.244 523 V CA 0.000 62.232 62.300 -0.113 0.000 1.235 523 V CB 0.000 31.776 31.823 -0.079 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556