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_C 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 0.000 176.612 176.600 0.019 0.000 0.988 8 K CA 0.000 56.300 56.287 0.021 0.000 0.838 8 K CB 0.000 32.514 32.500 0.023 0.000 1.064 9 P HA 0.194 nan 4.420 nan 0.000 0.269 9 P C -1.454 175.855 177.300 0.016 0.000 1.217 9 P CA -0.449 62.663 63.100 0.020 0.000 0.783 9 P CB 0.815 32.530 31.700 0.025 0.000 0.898 10 A N 1.186 124.014 122.820 0.013 0.000 2.371 10 A HA 0.564 4.886 4.320 0.003 0.000 0.311 10 A C -1.003 176.585 177.584 0.007 0.000 1.068 10 A CA -0.593 51.449 52.037 0.008 0.000 0.744 10 A CB 1.230 20.234 19.000 0.006 0.000 1.239 10 A HN 0.327 nan 8.150 nan 0.000 0.435 11 V N 2.407 122.322 119.914 0.002 0.000 2.347 11 V HA 0.289 4.411 4.120 0.003 0.000 0.280 11 V C 0.231 176.324 176.094 -0.002 0.000 1.021 11 V CA -0.355 61.946 62.300 0.001 0.000 0.847 11 V CB 1.231 33.051 31.823 -0.006 0.000 0.990 11 V HN 0.962 nan 8.190 nan 0.000 0.444 12 E N 4.638 124.839 120.200 0.002 0.000 2.089 12 E HA 0.345 4.697 4.350 0.003 0.000 0.284 12 E C -0.911 175.690 176.600 0.001 0.000 1.023 12 E CA -0.760 55.641 56.400 0.002 0.000 0.819 12 E CB 1.196 30.899 29.700 0.005 0.000 1.076 12 E HN 0.563 nan 8.360 nan 0.000 0.396 13 L N 5.538 126.758 121.223 -0.005 0.000 2.260 13 L HA 0.274 4.616 4.340 0.003 0.000 0.289 13 L C -0.170 176.699 176.870 -0.001 0.000 1.057 13 L CA 0.443 55.278 54.840 -0.008 0.000 0.811 13 L CB 1.188 43.235 42.059 -0.019 0.000 1.184 13 L HN 0.706 nan 8.230 nan 0.000 0.429 14 D N 2.903 123.308 120.400 0.009 0.000 3.061 14 D HA 0.184 4.826 4.640 0.003 0.000 0.243 14 D C 1.332 177.642 176.300 0.017 0.000 1.572 14 D CA 0.734 54.742 54.000 0.013 0.000 1.269 14 D CB 0.717 41.529 40.800 0.019 0.000 1.023 14 D HN 0.584 nan 8.370 nan 0.000 0.280 15 R N -1.686 118.835 120.500 0.036 0.000 2.243 15 R HA 0.200 4.542 4.340 0.003 0.000 0.193 15 R C 0.217 176.563 176.300 0.077 0.000 0.933 15 R CA -0.126 56.002 56.100 0.047 0.000 1.105 15 R CB 0.585 30.916 30.300 0.052 0.000 1.169 15 R HN 0.225 nan 8.270 nan 0.000 0.599 16 H N 0.012 119.075 119.070 -0.012 0.000 2.524 16 H HA 0.556 5.113 4.556 0.003 0.000 0.353 16 H C -1.443 173.879 175.328 -0.010 0.000 1.136 16 H CA -0.659 55.381 56.048 -0.013 0.000 1.193 16 H CB 1.570 31.325 29.762 -0.012 0.000 1.558 16 H HN -0.005 nan 8.280 nan 0.000 0.515 17 I N 4.166 124.443 120.570 -0.487 0.000 2.619 17 I HA 0.253 4.425 4.170 0.003 0.000 0.292 17 I C -1.242 174.643 176.117 -0.387 0.000 1.100 17 I CA -0.878 60.264 61.300 -0.263 0.000 1.043 17 I CB 1.576 39.483 38.000 -0.154 0.000 1.239 17 I HN 0.844 nan 8.210 nan 0.000 0.420 18 D N 6.078 126.404 120.400 -0.122 0.000 2.387 18 D HA 0.220 4.862 4.640 0.003 0.000 0.251 18 D C 1.043 177.325 176.300 -0.031 0.000 1.141 18 D CA -0.576 53.398 54.000 -0.044 0.000 0.987 18 D CB 1.015 41.858 40.800 0.072 0.000 1.116 18 D HN 0.512 nan 8.370 nan 0.000 0.491 19 L N -0.303 120.922 121.223 0.002 0.000 2.079 19 L HA -0.173 4.169 4.340 0.003 0.000 0.210 19 L C 1.503 178.413 176.870 0.068 0.000 1.081 19 L CA 1.476 56.334 54.840 0.030 0.000 0.752 19 L CB -0.479 41.609 42.059 0.048 0.000 0.896 19 L HN 0.463 nan 8.230 nan 0.000 0.433 20 D N -0.262 120.180 120.400 0.069 0.000 2.117 20 D HA -0.168 4.474 4.640 0.003 0.000 0.198 20 D C 2.324 178.670 176.300 0.076 0.000 0.982 20 D CA 1.082 55.140 54.000 0.096 0.000 0.828 20 D CB -0.126 40.722 40.800 0.081 0.000 0.967 20 D HN 0.415 nan 8.370 nan 0.000 0.464 21 Q N 0.467 120.292 119.800 0.042 0.000 2.084 21 Q HA -0.085 4.257 4.340 0.003 0.000 0.202 21 Q C 2.218 178.219 176.000 0.001 0.000 0.978 21 Q CA 1.383 57.198 55.803 0.020 0.000 0.844 21 Q CB -0.104 28.636 28.738 0.005 0.000 0.898 21 Q HN 0.199 nan 8.270 nan 0.000 0.426 22 A N 0.915 123.733 122.820 -0.004 0.000 1.877 22 A HA -0.249 4.073 4.320 0.003 0.000 0.216 22 A C 1.976 179.543 177.584 -0.028 0.000 1.186 22 A CA 1.663 53.685 52.037 -0.025 0.000 0.620 22 A CB -0.894 18.091 19.000 -0.025 0.000 0.822 22 A HN 0.460 nan 8.150 nan 0.000 0.443 23 H N 0.047 119.068 119.070 -0.082 0.000 2.389 23 H HA -0.029 4.529 4.556 0.003 0.000 0.299 23 H C 2.272 177.518 175.328 -0.136 0.000 1.081 23 H CA 1.555 57.516 56.048 -0.145 0.000 1.345 23 H CB -0.191 29.399 29.762 -0.286 0.000 1.393 23 H HN 0.407 nan 8.280 nan 0.000 0.520 24 A N 0.524 123.330 122.820 -0.024 0.000 1.883 24 A HA -0.129 4.193 4.320 0.003 0.000 0.217 24 A C 2.868 180.406 177.584 -0.077 0.000 1.186 24 A CA 1.847 53.872 52.037 -0.021 0.000 0.624 24 A CB -0.943 18.075 19.000 0.030 0.000 0.822 24 A HN 0.297 nan 8.150 nan 0.000 0.444 25 V N -0.299 119.565 119.914 -0.083 0.000 2.307 25 V HA -0.194 3.928 4.120 0.003 0.000 0.245 25 V C 3.059 179.057 176.094 -0.161 0.000 1.045 25 V CA 1.847 64.093 62.300 -0.091 0.000 1.024 25 V CB -1.254 30.523 31.823 -0.078 0.000 0.651 25 V HN 0.616 nan 8.190 nan 0.000 0.449 26 A N 0.800 123.487 122.820 -0.222 0.000 1.940 26 A HA -0.195 4.126 4.320 0.003 0.000 0.219 26 A C 2.369 179.730 177.584 -0.372 0.000 1.176 26 A CA 2.223 54.074 52.037 -0.310 0.000 0.631 26 A CB -0.641 18.188 19.000 -0.285 0.000 0.814 26 A HN 0.697 nan 8.150 nan 0.000 0.446 27 S N -2.104 113.396 115.700 -0.333 0.000 2.593 27 S HA 0.382 4.854 4.470 0.003 0.000 0.217 27 S C 1.393 176.120 174.600 0.211 0.000 0.966 27 S CA 1.002 59.151 58.200 -0.085 0.000 0.914 27 S CB -0.255 62.774 63.200 -0.285 0.000 0.776 27 S HN 1.917 nan 8.310 nan 0.000 0.523 28 G N 0.492 109.348 108.800 0.094 0.000 2.179 28 G HA2 -0.226 3.736 3.960 0.003 0.000 0.260 28 G HA3 -0.226 3.736 3.960 0.003 0.000 0.260 28 G C 0.865 175.833 174.900 0.113 0.000 0.977 28 G CA 0.109 45.327 45.100 0.197 0.000 0.641 28 G HN 0.974 nan 8.290 nan 0.000 0.533 29 G N -0.401 108.439 108.800 0.066 0.000 2.650 29 G HA2 0.564 4.526 3.960 0.003 0.000 0.214 29 G HA3 0.564 4.526 3.960 0.003 0.000 0.214 29 G C 0.620 175.545 174.900 0.041 0.000 1.136 29 G CA 1.743 46.878 45.100 0.058 0.000 0.789 29 G HN 1.834 nan 8.290 nan 0.000 0.536 30 A N -0.415 122.420 122.820 0.025 0.000 2.515 30 A HA 0.779 5.101 4.320 0.003 0.000 0.298 30 A C -0.217 177.371 177.584 0.007 0.000 1.059 30 A CA -0.861 51.185 52.037 0.016 0.000 0.698 30 A CB 1.507 20.514 19.000 0.012 0.000 1.289 30 A HN 0.210 nan 8.150 nan 0.000 0.404 31 R N 0.047 120.552 120.500 0.008 0.000 2.583 31 R HA 0.665 5.007 4.340 0.003 0.000 0.268 31 R C -0.666 175.630 176.300 -0.007 0.000 1.101 31 R CA -0.360 55.741 56.100 0.002 0.000 1.180 31 R CB 1.014 31.317 30.300 0.005 0.000 1.128 31 R HN 0.676 nan 8.270 nan 0.000 0.568 32 I N 0.644 121.206 120.570 -0.013 0.000 2.545 32 I HA 0.406 4.578 4.170 0.003 0.000 0.292 32 I C -1.451 174.658 176.117 -0.013 0.000 1.040 32 I CA -0.928 60.361 61.300 -0.017 0.000 1.068 32 I CB 1.989 39.972 38.000 -0.029 0.000 1.251 32 I HN 0.287 nan 8.210 nan 0.000 0.424 33 V N 7.966 127.873 119.914 -0.011 0.000 2.789 33 V HA 0.510 4.632 4.120 0.003 0.000 0.311 33 V C -1.440 174.648 176.094 -0.010 0.000 1.073 33 V CA -0.680 61.615 62.300 -0.009 0.000 0.921 33 V CB 2.133 33.953 31.823 -0.004 0.000 1.009 33 V HN 0.645 nan 8.190 nan 0.000 0.426 34 L N 6.528 127.745 121.223 -0.010 0.000 2.265 34 L HA 0.789 5.131 4.340 0.003 0.000 0.288 34 L C 0.696 177.562 176.870 -0.006 0.000 1.058 34 L CA 0.545 55.380 54.840 -0.010 0.000 0.809 34 L CB 0.874 42.926 42.059 -0.012 0.000 1.179 34 L HN 0.915 nan 8.230 nan 0.000 0.429 35 A N 6.863 129.681 122.820 -0.003 0.000 2.466 35 A HA 0.349 4.671 4.320 0.003 0.000 0.238 35 A C -1.602 175.981 177.584 -0.002 0.000 1.074 35 A CA -0.685 51.352 52.037 -0.001 0.000 0.774 35 A CB -0.389 18.612 19.000 0.003 0.000 1.015 35 A HN 0.788 nan 8.150 nan 0.000 0.498 36 P HA -0.138 nan 4.420 nan 0.000 0.215 36 P C -1.453 175.846 177.300 -0.001 0.000 1.157 36 P CA 1.821 64.920 63.100 -0.002 0.000 0.874 36 P CB -0.743 30.956 31.700 -0.001 0.000 0.790 37 P HA -0.152 nan 4.420 nan 0.000 0.216 37 P C 1.395 178.696 177.300 0.001 0.000 1.150 37 P CA 1.969 65.070 63.100 0.002 0.000 0.837 37 P CB -0.594 31.108 31.700 0.004 0.000 0.786 38 A N -0.226 122.594 122.820 0.001 0.000 1.897 38 A HA -0.165 4.157 4.320 0.003 0.000 0.215 38 A C 2.236 179.817 177.584 -0.005 0.000 1.181 38 A CA 1.232 53.268 52.037 -0.001 0.000 0.620 38 A CB -0.959 18.039 19.000 -0.002 0.000 0.821 38 A HN 0.040 nan 8.150 nan 0.000 0.443 39 R N -0.170 120.325 120.500 -0.007 0.000 2.096 39 R HA -0.121 4.220 4.340 0.003 0.000 0.235 39 R C 1.495 177.788 176.300 -0.011 0.000 1.127 39 R CA 1.485 57.578 56.100 -0.011 0.000 0.968 39 R CB -0.361 29.932 30.300 -0.011 0.000 0.861 39 R HN 0.493 nan 8.270 nan 0.000 0.440 40 D N 0.167 120.563 120.400 -0.007 0.000 2.097 40 D HA -0.111 4.530 4.640 0.003 0.000 0.197 40 D C 1.972 178.269 176.300 -0.005 0.000 0.984 40 D CA 1.086 55.082 54.000 -0.006 0.000 0.826 40 D CB -0.126 40.672 40.800 -0.003 0.000 0.973 40 D HN 0.184 nan 8.370 nan 0.000 0.460 41 R N 0.063 120.563 120.500 -0.002 0.000 2.096 41 R HA -0.061 4.281 4.340 0.003 0.000 0.235 41 R C 2.485 178.785 176.300 0.000 0.000 1.127 41 R CA 0.877 56.978 56.100 0.002 0.000 0.968 41 R CB -0.433 29.871 30.300 0.006 0.000 0.861 41 R HN 0.227 nan 8.270 nan 0.000 0.440 42 C N -0.174 119.123 119.300 -0.005 0.000 2.457 42 C HA 0.011 4.473 4.460 0.003 0.000 0.278 42 C C 2.580 177.556 174.990 -0.023 0.000 1.309 42 C CA 0.331 59.343 59.018 -0.011 0.000 1.735 42 C CB -0.746 26.984 27.740 -0.016 0.000 1.992 42 C HN 0.451 nan 8.230 nan 0.000 0.493 43 R N 0.905 121.391 120.500 -0.024 0.000 2.096 43 R HA -0.111 4.231 4.340 0.003 0.000 0.235 43 R C 2.353 178.638 176.300 -0.026 0.000 1.127 43 R CA 1.565 57.647 56.100 -0.029 0.000 0.968 43 R CB -0.406 29.881 30.300 -0.022 0.000 0.861 43 R HN 0.554 nan 8.270 nan 0.000 0.440 44 A N -0.102 122.708 122.820 -0.016 0.000 1.933 44 A HA -0.164 4.158 4.320 0.003 0.000 0.218 44 A C 2.135 179.708 177.584 -0.018 0.000 1.175 44 A CA 1.802 53.832 52.037 -0.012 0.000 0.628 44 A CB -0.484 18.515 19.000 -0.002 0.000 0.814 44 A HN 0.300 nan 8.150 nan 0.000 0.444 45 S N -0.922 114.769 115.700 -0.015 0.000 2.387 45 S HA -0.158 4.314 4.470 0.003 0.000 0.226 45 S C 1.991 176.543 174.600 -0.081 0.000 1.026 45 S CA 1.412 59.600 58.200 -0.020 0.000 0.972 45 S CB -0.294 62.918 63.200 0.020 0.000 0.814 45 S HN 0.682 nan 8.310 nan 0.000 0.477 46 E N 0.386 120.543 120.200 -0.071 0.000 2.110 46 E HA -0.110 4.242 4.350 0.003 0.000 0.193 46 E C 2.052 178.600 176.600 -0.087 0.000 0.988 46 E CA 1.025 57.370 56.400 -0.091 0.000 0.804 46 E CB -0.322 29.328 29.700 -0.083 0.000 0.745 46 E HN 0.595 nan 8.360 nan 0.000 0.458 47 A N 1.219 124.001 122.820 -0.063 0.000 1.930 47 A HA -0.140 4.182 4.320 0.003 0.000 0.217 47 A C 2.144 179.685 177.584 -0.073 0.000 1.175 47 A CA 1.162 53.170 52.037 -0.049 0.000 0.627 47 A CB -0.373 18.610 19.000 -0.029 0.000 0.815 47 A HN 0.157 nan 8.150 nan 0.000 0.443 48 R N -1.183 119.261 120.500 -0.093 0.000 2.096 48 R HA -0.102 4.239 4.340 0.003 0.000 0.235 48 R C 2.093 178.252 176.300 -0.234 0.000 1.127 48 R CA 1.412 57.444 56.100 -0.113 0.000 0.968 48 R CB -0.552 29.705 30.300 -0.072 0.000 0.861 48 R HN 0.503 nan 8.270 nan 0.000 0.440 49 L N 0.502 121.500 121.223 -0.375 0.000 2.046 49 L HA -0.011 4.331 4.340 0.003 0.000 0.208 49 L C 2.101 178.833 176.870 -0.229 0.000 1.077 49 L CA 2.039 56.569 54.840 -0.517 0.000 0.747 49 L CB -0.961 40.796 42.059 -0.504 0.000 0.896 49 L HN 0.149 nan 8.230 nan 0.000 0.432 50 G N -0.939 107.781 108.800 -0.133 0.000 2.440 50 G HA2 -0.269 3.693 3.960 0.003 0.000 0.218 50 G HA3 -0.269 3.693 3.960 0.003 0.000 0.218 50 G C 1.588 176.458 174.900 -0.050 0.000 1.154 50 G CA 0.837 45.901 45.100 -0.061 0.000 0.767 50 G HN 0.638 nan 8.290 nan 0.000 0.552 51 A N -0.017 122.771 122.820 -0.054 0.000 1.930 51 A HA 0.137 4.459 4.320 0.003 0.000 0.217 51 A C 2.582 180.157 177.584 -0.015 0.000 1.175 51 A CA 1.642 53.663 52.037 -0.026 0.000 0.627 51 A CB -0.541 18.448 19.000 -0.019 0.000 0.815 51 A HN 0.246 nan 8.150 nan 0.000 0.443 52 V N 0.232 120.125 119.914 -0.034 0.000 2.407 52 V HA -0.265 3.856 4.120 0.003 0.000 0.248 52 V C 2.395 178.506 176.094 0.028 0.000 1.055 52 V CA 2.038 64.347 62.300 0.016 0.000 1.049 52 V CB -0.591 31.242 31.823 0.018 0.000 0.662 52 V HN 0.577 nan 8.190 nan 0.000 0.455 53 I N -0.680 119.888 120.570 -0.003 0.000 2.202 53 I HA -0.197 3.975 4.170 0.003 0.000 0.242 53 I C 2.731 178.854 176.117 0.009 0.000 1.091 53 I CA 1.404 62.710 61.300 0.010 0.000 1.368 53 I CB -0.436 37.561 38.000 -0.005 0.000 1.058 53 I HN 0.195 nan 8.210 nan 0.000 0.410 54 R N 0.819 121.320 120.500 0.001 0.000 2.105 54 R HA -0.179 4.163 4.340 0.003 0.000 0.239 54 R C 1.794 178.099 176.300 0.010 0.000 1.135 54 R CA 1.364 57.465 56.100 0.002 0.000 0.967 54 R CB -0.308 29.991 30.300 -0.002 0.000 0.861 54 R HN 0.461 nan 8.270 nan 0.000 0.442 55 E N -0.089 120.122 120.200 0.018 0.000 2.502 55 E HA 0.076 4.428 4.350 0.003 0.000 0.194 55 E C 0.401 177.021 176.600 0.033 0.000 1.062 55 E CA 0.362 56.778 56.400 0.026 0.000 0.867 55 E CB 0.368 30.088 29.700 0.033 0.000 0.888 55 E HN 0.340 nan 8.360 nan 0.000 0.510 56 A N 1.814 124.655 122.820 0.034 0.000 2.822 56 A HA -0.233 4.088 4.320 0.003 0.000 0.287 56 A C 0.053 177.674 177.584 0.063 0.000 1.479 56 A CA 0.545 52.604 52.037 0.037 0.000 0.779 56 A CB -1.351 17.660 19.000 0.017 0.000 1.022 56 A HN 0.127 nan 8.150 nan 0.000 0.532 57 R N 0.108 120.662 120.500 0.091 0.000 2.679 57 R HA 0.092 4.434 4.340 0.003 0.000 0.268 57 R C 0.513 176.928 176.300 0.192 0.000 1.044 57 R CA -0.018 56.163 56.100 0.134 0.000 1.105 57 R CB 0.038 30.428 30.300 0.151 0.000 0.989 57 R HN 0.721 nan 8.270 nan 0.000 0.447 58 H N 1.749 120.862 119.070 0.070 0.000 3.160 58 H HA 0.221 4.779 4.556 0.003 0.000 0.257 58 H C -0.888 174.509 175.328 0.116 0.000 1.140 58 H CA -0.393 55.687 56.048 0.054 0.000 1.492 58 H CB 0.226 29.994 29.762 0.009 0.000 1.529 58 H HN 0.049 nan 8.280 nan 0.000 0.490 59 V N 6.467 126.590 119.914 0.348 0.000 2.686 59 V HA -0.002 4.120 4.120 0.003 0.000 0.306 59 V C -0.743 175.579 176.094 0.379 0.000 1.065 59 V CA -1.002 61.533 62.300 0.392 0.000 0.894 59 V CB 1.296 33.349 31.823 0.383 0.000 1.004 59 V HN 0.672 nan 8.190 nan 0.000 0.424 60 Y N 3.948 124.486 120.300 0.396 0.000 2.805 60 Y HA 0.328 4.880 4.550 0.003 0.000 0.331 60 Y C 1.382 177.385 175.900 0.172 0.000 1.241 60 Y CA 2.007 60.239 58.100 0.221 0.000 1.546 60 Y CB 0.456 39.096 38.460 0.299 0.000 1.248 60 Y HN 1.069 nan 8.280 nan 0.000 0.559 61 G N 4.025 112.550 108.800 -0.458 0.000 2.253 61 G HA2 -0.309 3.653 3.960 0.003 0.000 0.251 61 G HA3 -0.309 3.653 3.960 0.003 0.000 0.251 61 G C 0.639 175.532 174.900 -0.012 0.000 0.998 61 G CA 0.575 45.552 45.100 -0.206 0.000 0.621 61 G HN 0.671 nan 8.290 nan 0.000 0.524 62 L N 0.050 121.295 121.223 0.037 0.000 2.500 62 L HA 0.299 4.641 4.340 0.003 0.000 0.219 62 L C 2.165 179.047 176.870 0.021 0.000 1.057 62 L CA 1.577 56.459 54.840 0.071 0.000 0.854 62 L CB 0.477 42.624 42.059 0.147 0.000 1.078 62 L HN 0.463 nan 8.230 nan 0.000 0.480 63 T N -3.954 110.607 114.554 0.012 0.000 3.332 63 T HA 0.198 4.550 4.350 0.003 0.000 0.304 63 T C 0.217 174.876 174.700 -0.070 0.000 0.971 63 T CA 0.085 62.176 62.100 -0.015 0.000 0.954 63 T CB 0.027 68.915 68.868 0.033 0.000 1.175 63 T HN 0.179 nan 8.240 nan 0.000 0.519 64 T N -2.053 112.399 114.554 -0.168 0.000 2.843 64 T HA 0.773 5.125 4.350 0.003 0.000 0.302 64 T C 0.575 174.943 174.700 -0.552 0.000 1.232 64 T CA -0.263 61.691 62.100 -0.243 0.000 1.009 64 T CB 1.401 70.200 68.868 -0.114 0.000 1.254 64 T HN 0.289 nan 8.240 nan 0.000 0.504 65 G N -0.077 108.442 108.800 -0.468 0.000 2.489 65 G HA2 0.570 4.532 3.960 0.003 0.000 0.271 65 G HA3 0.570 4.532 3.960 0.003 0.000 0.271 65 G C -1.083 173.264 174.900 -0.921 0.000 1.427 65 G CA -0.767 43.961 45.100 -0.621 0.000 1.057 65 G HN 0.565 nan 8.290 nan 0.000 0.532 66 F N -1.109 118.775 119.950 -0.110 0.000 2.538 66 F HA 0.617 5.146 4.527 0.003 0.000 0.325 66 F C 1.085 176.964 175.800 0.132 0.000 1.066 66 F CA 0.293 58.281 58.000 -0.021 0.000 0.946 66 F CB 1.473 40.495 39.000 0.037 0.000 1.199 66 F HN 1.040 nan 8.300 nan 0.000 0.473 67 G N 1.922 111.017 108.800 0.492 0.000 2.582 67 G HA2 -0.280 3.682 3.960 0.003 0.000 0.288 67 G HA3 -0.280 3.682 3.960 0.003 0.000 0.288 67 G C -1.942 173.072 174.900 0.189 0.000 1.247 67 G CA -0.132 45.129 45.100 0.268 0.000 0.972 67 G HN 0.513 nan 8.290 nan 0.000 0.557 68 P HA 0.108 nan 4.420 nan 0.000 0.228 68 P C 1.733 179.067 177.300 0.058 0.000 1.151 68 P CA 0.788 63.933 63.100 0.075 0.000 0.770 68 P CB -0.072 31.658 31.700 0.050 0.000 0.786 69 L N -1.592 119.663 121.223 0.055 0.000 2.627 69 L HA 0.138 4.480 4.340 0.003 0.000 0.233 69 L C 2.004 178.862 176.870 -0.020 0.000 1.144 69 L CA 0.105 54.950 54.840 0.008 0.000 0.892 69 L CB -0.644 41.409 42.059 -0.010 0.000 1.039 69 L HN -0.038 nan 8.230 nan 0.000 0.442 70 A N 1.198 124.039 122.820 0.034 0.000 2.172 70 A HA -0.159 4.163 4.320 0.003 0.000 0.216 70 A C 1.950 179.554 177.584 0.034 0.000 1.154 70 A CA 1.281 53.335 52.037 0.028 0.000 0.701 70 A CB -0.498 18.629 19.000 0.212 0.000 0.789 70 A HN 0.643 nan 8.150 nan 0.000 0.465 71 N N -0.495 118.220 118.700 0.026 0.000 2.515 71 N HA -0.039 4.703 4.740 0.003 0.000 0.185 71 N C 0.052 175.552 175.510 -0.016 0.000 1.109 71 N CA 0.256 53.318 53.050 0.020 0.000 0.903 71 N CB -0.210 38.289 38.487 0.019 0.000 0.969 71 N HN 0.180 nan 8.380 nan 0.000 0.450 72 R N 1.071 121.547 120.500 -0.040 0.000 2.205 72 R HA 0.377 4.719 4.340 0.003 0.000 0.342 72 R C -0.179 176.067 176.300 -0.090 0.000 1.058 72 R CA -0.275 55.788 56.100 -0.061 0.000 0.904 72 R CB 0.641 30.902 30.300 -0.064 0.000 1.089 72 R HN 0.157 nan 8.270 nan 0.000 0.471 73 L N 4.045 125.211 121.223 -0.094 0.000 2.397 73 L HA 0.333 4.675 4.340 0.003 0.000 0.271 73 L C 0.130 176.938 176.870 -0.103 0.000 1.148 73 L CA -0.306 54.461 54.840 -0.121 0.000 0.825 73 L CB 0.552 42.515 42.059 -0.160 0.000 1.117 73 L HN 0.358 nan 8.230 nan 0.000 0.456 74 I N 1.576 122.083 120.570 -0.105 0.000 2.474 74 I HA 0.209 4.381 4.170 0.003 0.000 0.294 74 I C 0.336 176.416 176.117 -0.061 0.000 1.005 74 I CA -0.233 61.017 61.300 -0.084 0.000 1.113 74 I CB 1.676 39.615 38.000 -0.102 0.000 1.289 74 I HN 0.516 nan 8.210 nan 0.000 0.436 75 S N 3.210 118.881 115.700 -0.047 0.000 2.565 75 S HA 0.331 4.803 4.470 0.003 0.000 0.276 75 S C 1.494 176.078 174.600 -0.026 0.000 1.326 75 S CA 0.146 58.325 58.200 -0.035 0.000 1.045 75 S CB 1.194 64.377 63.200 -0.029 0.000 0.918 75 S HN 0.888 nan 8.310 nan 0.000 0.505 76 G N 3.062 111.851 108.800 -0.019 0.000 2.503 76 G HA2 -0.270 3.692 3.960 0.003 0.000 0.221 76 G HA3 -0.270 3.692 3.960 0.003 0.000 0.221 76 G C 1.296 176.189 174.900 -0.012 0.000 1.131 76 G CA 1.161 46.254 45.100 -0.012 0.000 0.756 76 G HN 0.917 nan 8.290 nan 0.000 0.572 77 E N 0.652 120.844 120.200 -0.013 0.000 2.333 77 E HA -0.109 4.243 4.350 0.003 0.000 0.198 77 E C 1.119 177.714 176.600 -0.009 0.000 1.007 77 E CA 0.892 57.285 56.400 -0.011 0.000 0.845 77 E CB -0.316 29.377 29.700 -0.011 0.000 0.766 77 E HN 0.391 nan 8.360 nan 0.000 0.507 78 N N 0.704 119.398 118.700 -0.010 0.000 2.236 78 N HA 0.056 4.798 4.740 0.003 0.000 0.196 78 N C 1.554 177.063 175.510 -0.001 0.000 1.114 78 N CA 0.147 53.193 53.050 -0.006 0.000 0.859 78 N CB 0.911 39.391 38.487 -0.011 0.000 0.982 78 N HN 0.030 nan 8.380 nan 0.000 0.493 79 V N 1.170 121.083 119.914 -0.002 0.000 2.407 79 V HA -0.186 3.936 4.120 0.003 0.000 0.248 79 V C 2.409 178.516 176.094 0.022 0.000 1.055 79 V CA 1.360 63.666 62.300 0.009 0.000 1.049 79 V CB -0.222 31.607 31.823 0.011 0.000 0.662 79 V HN 0.214 nan 8.190 nan 0.000 0.455 80 R N 0.228 120.734 120.500 0.011 0.000 2.083 80 R HA -0.122 4.220 4.340 0.003 0.000 0.237 80 R C 2.397 178.702 176.300 0.008 0.000 1.137 80 R CA 1.995 58.099 56.100 0.007 0.000 0.951 80 R CB -1.448 28.851 30.300 -0.002 0.000 0.851 80 R HN 0.508 nan 8.270 nan 0.000 0.434 81 T N 2.437 117.000 114.554 0.015 0.000 2.746 81 T HA -0.132 4.220 4.350 0.003 0.000 0.267 81 T C 1.890 176.615 174.700 0.042 0.000 1.039 81 T CA 1.170 63.284 62.100 0.024 0.000 1.142 81 T CB -0.332 68.554 68.868 0.029 0.000 0.866 81 T HN 0.090 nan 8.240 nan 0.000 0.444 82 L N 1.393 122.649 121.223 0.055 0.000 1.971 82 L HA -0.191 4.151 4.340 0.003 0.000 0.215 82 L C 2.434 179.417 176.870 0.190 0.000 1.072 82 L CA 1.897 56.805 54.840 0.114 0.000 0.758 82 L CB -0.693 41.402 42.059 0.060 0.000 0.889 82 L HN 0.267 nan 8.230 nan 0.000 0.433 83 Q N -0.882 118.993 119.800 0.126 0.000 2.224 83 Q HA -0.096 4.246 4.340 0.003 0.000 0.203 83 Q C 2.200 178.163 176.000 -0.062 0.000 0.970 83 Q CA 1.166 57.016 55.803 0.077 0.000 0.865 83 Q CB -0.299 28.477 28.738 0.063 0.000 0.922 83 Q HN 0.723 nan 8.270 nan 0.000 0.445 84 A N 1.763 124.528 122.820 -0.092 0.000 1.898 84 A HA -0.178 4.144 4.320 0.003 0.000 0.216 84 A C 1.751 179.067 177.584 -0.447 0.000 1.181 84 A CA 1.380 53.258 52.037 -0.266 0.000 0.620 84 A CB -0.316 18.570 19.000 -0.191 0.000 0.819 84 A HN 0.261 nan 8.150 nan 0.000 0.442 85 N N -0.241 118.370 118.700 -0.147 0.000 2.396 85 N HA -0.083 4.659 4.740 0.003 0.000 0.180 85 N C 1.524 177.070 175.510 0.059 0.000 1.028 85 N CA 1.117 54.181 53.050 0.023 0.000 0.893 85 N CB -0.457 38.129 38.487 0.166 0.000 0.967 85 N HN 0.463 nan 8.380 nan 0.000 0.440 86 L N 0.877 122.073 121.223 -0.045 0.000 1.989 86 L HA -0.103 4.238 4.340 0.003 0.000 0.211 86 L C 1.914 178.507 176.870 -0.460 0.000 1.071 86 L CA 1.511 56.168 54.840 -0.306 0.000 0.749 86 L CB -0.795 40.883 42.059 -0.635 0.000 0.890 86 L HN -0.114 nan 8.230 nan 0.000 0.431 87 V N -0.076 119.626 119.914 -0.353 0.000 2.332 87 V HA -0.365 3.757 4.120 0.003 0.000 0.248 87 V C 2.414 178.364 176.094 -0.240 0.000 1.055 87 V CA 2.292 64.400 62.300 -0.321 0.000 1.038 87 V CB -1.087 30.571 31.823 -0.274 0.000 0.651 87 V HN 0.638 nan 8.190 nan 0.000 0.450 88 H N -0.322 118.649 119.070 -0.166 0.000 2.267 88 H HA -0.207 4.351 4.556 0.003 0.000 0.297 88 H C 2.391 177.654 175.328 -0.108 0.000 1.080 88 H CA 1.785 57.767 56.048 -0.111 0.000 1.278 88 H CB -0.281 29.465 29.762 -0.026 0.000 1.365 88 H HN 0.675 nan 8.280 nan 0.000 0.489 89 H N 0.628 119.729 119.070 0.051 0.000 2.456 89 H HA -0.066 4.492 4.556 0.003 0.000 0.296 89 H C 1.934 177.237 175.328 -0.043 0.000 1.079 89 H CA 0.960 57.009 56.048 0.002 0.000 1.322 89 H CB -0.311 29.456 29.762 0.008 0.000 1.388 89 H HN 0.339 nan 8.280 nan 0.000 0.538 90 L N 0.946 121.825 121.223 -0.573 0.000 2.313 90 L HA 0.106 4.448 4.340 0.003 0.000 0.214 90 L C 1.934 178.651 176.870 -0.256 0.000 1.119 90 L CA 0.412 54.999 54.840 -0.423 0.000 0.809 90 L CB -0.129 41.619 42.059 -0.518 0.000 0.933 90 L HN 0.272 nan 8.230 nan 0.000 0.449 91 A N 0.051 122.688 122.820 -0.306 0.000 3.029 91 A HA 0.146 4.468 4.320 0.003 0.000 0.251 91 A C 1.235 178.749 177.584 -0.116 0.000 1.749 91 A CA 0.327 52.053 52.037 -0.517 0.000 1.386 91 A CB -0.647 18.015 19.000 -0.564 0.000 1.043 91 A HN 0.368 nan 8.150 nan 0.000 0.638 92 S N -0.582 115.154 115.700 0.060 0.000 2.602 92 S HA 0.374 4.846 4.470 0.003 0.000 0.240 92 S C 0.879 175.582 174.600 0.172 0.000 0.992 92 S CA 0.090 58.359 58.200 0.116 0.000 0.971 92 S CB 0.052 63.291 63.200 0.065 0.000 0.855 92 S HN 0.760 nan 8.310 nan 0.000 0.481 93 G N 1.540 110.560 108.800 0.367 0.000 2.544 93 G HA2 0.499 4.461 3.960 0.003 0.000 0.242 93 G HA3 0.499 4.461 3.960 0.003 0.000 0.242 93 G C -0.116 174.765 174.900 -0.031 0.000 1.247 93 G CA 0.127 45.287 45.100 0.101 0.000 0.840 93 G HN 1.047 nan 8.290 nan 0.000 0.578 94 V N -0.961 118.922 119.914 -0.051 0.000 3.182 94 V HA 1.034 5.156 4.120 0.003 0.000 0.308 94 V C 0.586 176.645 176.094 -0.057 0.000 1.240 94 V CA -0.038 62.232 62.300 -0.050 0.000 1.063 94 V CB 1.110 32.924 31.823 -0.015 0.000 1.076 94 V HN 2.570 nan 8.190 nan 0.000 0.446 95 G N 0.544 109.318 108.800 -0.043 0.000 2.712 95 G HA2 0.046 4.008 3.960 0.003 0.000 0.683 95 G HA3 0.046 4.008 3.960 0.003 0.000 0.683 95 G C -3.041 171.834 174.900 -0.041 0.000 1.320 95 G CA -0.331 44.748 45.100 -0.034 0.000 0.847 95 G HN 1.005 nan 8.290 nan 0.000 0.553 96 P HA 0.388 nan 4.420 nan 0.000 0.267 96 P C 0.770 178.052 177.300 -0.030 0.000 1.200 96 P CA 0.073 63.161 63.100 -0.019 0.000 0.772 96 P CB 0.727 32.425 31.700 -0.004 0.000 0.855 97 V N 1.550 121.447 119.914 -0.029 0.000 2.924 97 V HA 0.159 4.281 4.120 0.003 0.000 0.305 97 V C 0.345 176.433 176.094 -0.011 0.000 1.073 97 V CA -0.585 61.693 62.300 -0.037 0.000 1.098 97 V CB -0.302 31.504 31.823 -0.028 0.000 1.000 97 V HN 0.255 nan 8.190 nan 0.000 0.484 98 L N 2.661 123.874 121.223 -0.017 0.000 2.467 98 L HA 0.250 4.592 4.340 0.003 0.000 0.270 98 L C 0.681 177.573 176.870 0.035 0.000 1.205 98 L CA -0.168 54.674 54.840 0.005 0.000 0.828 98 L CB 0.195 42.247 42.059 -0.011 0.000 1.101 98 L HN 1.034 nan 8.230 nan 0.000 0.479 99 D N -0.204 120.233 120.400 0.062 0.000 2.361 99 D HA -0.109 4.533 4.640 0.003 0.000 0.239 99 D C 0.698 177.092 176.300 0.156 0.000 1.200 99 D CA -0.441 53.628 54.000 0.115 0.000 0.915 99 D CB 0.498 41.371 40.800 0.123 0.000 1.170 99 D HN 0.546 nan 8.370 nan 0.000 0.444 100 W N 1.002 122.307 121.300 0.010 0.000 2.302 100 W HA -0.283 4.379 4.660 0.003 0.000 0.320 100 W C 2.160 178.677 176.519 -0.004 0.000 1.241 100 W CA 2.642 59.993 57.345 0.009 0.000 1.264 100 W CB -0.740 28.727 29.460 0.013 0.000 1.154 100 W HN 0.432 nan 8.180 nan 0.000 0.483 101 T N -0.271 114.422 114.554 0.232 0.000 2.708 101 T HA -0.208 4.144 4.350 0.003 0.000 0.266 101 T C 1.580 176.209 174.700 -0.117 0.000 1.037 101 T CA 2.330 64.417 62.100 -0.022 0.000 1.146 101 T CB -0.903 68.044 68.868 0.131 0.000 0.865 101 T HN 0.171 nan 8.240 nan 0.000 0.435 102 T N 2.031 116.574 114.554 -0.017 0.000 2.746 102 T HA -0.009 4.343 4.350 0.003 0.000 0.267 102 T C 2.417 177.074 174.700 -0.072 0.000 1.039 102 T CA 1.149 63.236 62.100 -0.023 0.000 1.142 102 T CB -0.566 68.317 68.868 0.024 0.000 0.866 102 T HN 0.422 nan 8.240 nan 0.000 0.444 103 A N 1.709 124.476 122.820 -0.087 0.000 1.933 103 A HA -0.131 4.191 4.320 0.003 0.000 0.218 103 A C 2.373 179.858 177.584 -0.165 0.000 1.175 103 A CA 1.499 53.471 52.037 -0.108 0.000 0.628 103 A CB -0.472 18.470 19.000 -0.097 0.000 0.814 103 A HN 0.417 nan 8.150 nan 0.000 0.444 104 R N -0.637 119.698 120.500 -0.274 0.000 2.090 104 R HA 0.026 4.368 4.340 0.003 0.000 0.228 104 R C 2.430 178.601 176.300 -0.214 0.000 1.110 104 R CA 1.019 56.931 56.100 -0.313 0.000 0.973 104 R CB -0.415 29.551 30.300 -0.557 0.000 0.869 104 R HN 0.499 nan 8.270 nan 0.000 0.440 105 A N 1.177 123.888 122.820 -0.183 0.000 1.972 105 A HA -0.199 4.122 4.320 0.003 0.000 0.219 105 A C 2.111 179.643 177.584 -0.087 0.000 1.169 105 A CA 1.398 53.363 52.037 -0.121 0.000 0.635 105 A CB -0.457 18.497 19.000 -0.077 0.000 0.810 105 A HN 0.343 nan 8.150 nan 0.000 0.446 106 M N -0.386 119.166 119.600 -0.081 0.000 2.132 106 M HA -0.100 4.381 4.480 0.003 0.000 0.263 106 M C 1.856 178.118 176.300 -0.064 0.000 1.065 106 M CA 1.858 57.122 55.300 -0.060 0.000 1.122 106 M CB -0.204 32.365 32.600 -0.052 0.000 1.365 106 M HN 0.181 nan 8.290 nan 0.000 0.411 107 V N 1.164 121.029 119.914 -0.081 0.000 2.332 107 V HA -0.277 3.845 4.120 0.003 0.000 0.248 107 V C 2.431 178.485 176.094 -0.067 0.000 1.055 107 V CA 1.735 63.992 62.300 -0.071 0.000 1.038 107 V CB -0.949 30.824 31.823 -0.083 0.000 0.651 107 V HN 0.582 nan 8.190 nan 0.000 0.450 108 L N 0.932 122.106 121.223 -0.083 0.000 2.046 108 L HA -0.092 4.250 4.340 0.003 0.000 0.208 108 L C 2.454 179.288 176.870 -0.061 0.000 1.077 108 L CA 2.368 57.163 54.840 -0.075 0.000 0.747 108 L CB -1.002 41.002 42.059 -0.091 0.000 0.896 108 L HN 0.222 nan 8.230 nan 0.000 0.432 109 A N -0.427 122.358 122.820 -0.058 0.000 1.908 109 A HA -0.276 4.046 4.320 0.003 0.000 0.218 109 A C 2.473 180.033 177.584 -0.040 0.000 1.181 109 A CA 1.921 53.928 52.037 -0.049 0.000 0.627 109 A CB -0.623 18.351 19.000 -0.043 0.000 0.818 109 A HN 0.487 nan 8.150 nan 0.000 0.445 110 R N -0.705 119.773 120.500 -0.036 0.000 2.092 110 R HA -0.063 4.278 4.340 0.003 0.000 0.231 110 R C 1.939 178.225 176.300 -0.024 0.000 1.119 110 R CA 1.505 57.590 56.100 -0.025 0.000 0.970 110 R CB -0.619 29.667 30.300 -0.024 0.000 0.864 110 R HN 0.451 nan 8.270 nan 0.000 0.440 111 L N -0.170 121.035 121.223 -0.031 0.000 2.046 111 L HA -0.085 4.257 4.340 0.003 0.000 0.208 111 L C 1.893 178.746 176.870 -0.029 0.000 1.077 111 L CA 1.607 56.430 54.840 -0.029 0.000 0.747 111 L CB -0.503 41.535 42.059 -0.035 0.000 0.896 111 L HN 0.057 nan 8.230 nan 0.000 0.432 112 V N -0.888 119.003 119.914 -0.038 0.000 2.392 112 V HA -0.282 3.840 4.120 0.003 0.000 0.249 112 V C 2.786 178.862 176.094 -0.031 0.000 1.059 112 V CA 1.833 64.108 62.300 -0.042 0.000 1.051 112 V CB -0.861 30.925 31.823 -0.061 0.000 0.658 112 V HN 0.662 nan 8.190 nan 0.000 0.455 113 S N -0.324 115.359 115.700 -0.028 0.000 2.356 113 S HA -0.139 4.333 4.470 0.003 0.000 0.223 113 S C 1.931 176.528 174.600 -0.006 0.000 1.032 113 S CA 1.655 59.843 58.200 -0.019 0.000 1.005 113 S CB -0.344 62.846 63.200 -0.015 0.000 0.867 113 S HN 0.521 nan 8.310 nan 0.000 0.449 114 I N 1.779 122.348 120.570 -0.003 0.000 2.286 114 I HA -0.156 4.016 4.170 0.003 0.000 0.248 114 I C 2.712 178.832 176.117 0.004 0.000 1.115 114 I CA 1.060 62.365 61.300 0.007 0.000 1.392 114 I CB -0.486 37.516 38.000 0.003 0.000 1.065 114 I HN 0.386 nan 8.210 nan 0.000 0.418 115 A N 0.091 122.907 122.820 -0.005 0.000 2.131 115 A HA -0.207 4.115 4.320 0.003 0.000 0.220 115 A C 2.120 179.704 177.584 0.001 0.000 1.158 115 A CA 1.202 53.236 52.037 -0.005 0.000 0.665 115 A CB -0.336 18.657 19.000 -0.012 0.000 0.795 115 A HN 0.407 nan 8.150 nan 0.000 0.460 116 Q N -1.220 118.582 119.800 0.003 0.000 2.369 116 Q HA 0.058 4.400 4.340 0.003 0.000 0.206 116 Q C 1.277 177.286 176.000 0.015 0.000 0.963 116 Q CA 0.892 56.700 55.803 0.008 0.000 0.894 116 Q CB -0.553 28.187 28.738 0.004 0.000 0.965 116 Q HN 1.103 nan 8.270 nan 0.000 0.475 117 G N 0.161 108.974 108.800 0.021 0.000 2.204 117 G HA2 -0.177 3.785 3.960 0.003 0.000 0.244 117 G HA3 -0.177 3.785 3.960 0.003 0.000 0.244 117 G C 0.434 175.367 174.900 0.055 0.000 1.062 117 G CA 0.376 45.494 45.100 0.030 0.000 0.798 117 G HN 0.532 nan 8.290 nan 0.000 0.496 118 A N -0.986 121.878 122.820 0.073 0.000 2.635 118 A HA 0.728 5.050 4.320 0.003 0.000 0.279 118 A C 1.639 179.343 177.584 0.200 0.000 1.122 118 A CA 1.394 53.501 52.037 0.117 0.000 0.965 118 A CB 0.262 19.293 19.000 0.052 0.000 1.221 118 A HN 0.774 nan 8.150 nan 0.000 0.566 119 S N -1.160 114.652 115.700 0.186 0.000 2.502 119 S HA 0.367 4.839 4.470 0.003 0.000 0.215 119 S C 1.559 176.338 174.600 0.299 0.000 1.009 119 S CA 0.750 59.093 58.200 0.237 0.000 0.908 119 S CB 0.428 63.698 63.200 0.116 0.000 0.801 119 S HN 1.665 nan 8.310 nan 0.000 0.505 120 G N 1.839 110.728 108.800 0.148 0.000 2.179 120 G HA2 -0.231 3.731 3.960 0.003 0.000 0.260 120 G HA3 -0.231 3.731 3.960 0.003 0.000 0.260 120 G C 0.248 175.129 174.900 -0.031 0.000 0.977 120 G CA -0.010 45.069 45.100 -0.035 0.000 0.641 120 G HN 0.904 nan 8.290 nan 0.000 0.533 121 A N 0.503 123.326 122.820 0.006 0.000 2.540 121 A HA 0.567 4.889 4.320 0.003 0.000 0.239 121 A C 1.180 178.714 177.584 -0.083 0.000 1.061 121 A CA 1.135 53.158 52.037 -0.024 0.000 0.758 121 A CB 0.137 19.131 19.000 -0.009 0.000 0.991 121 A HN 2.071 nan 8.150 nan 0.000 0.502 122 S N 1.754 117.366 115.700 -0.147 0.000 2.614 122 S HA 0.188 4.659 4.470 0.003 0.000 0.265 122 S C 0.719 175.206 174.600 -0.190 0.000 1.303 122 S CA 0.168 58.201 58.200 -0.279 0.000 1.000 122 S CB 0.697 63.510 63.200 -0.646 0.000 0.935 122 S HN 0.713 nan 8.310 nan 0.000 0.551 123 E N 1.577 121.667 120.200 -0.183 0.000 2.085 123 E HA -0.106 4.245 4.350 0.003 0.000 0.194 123 E C 2.145 178.694 176.600 -0.086 0.000 0.994 123 E CA 1.215 57.552 56.400 -0.105 0.000 0.801 123 E CB -0.768 28.883 29.700 -0.081 0.000 0.743 123 E HN 0.897 nan 8.360 nan 0.000 0.453 124 G N 0.476 109.211 108.800 -0.108 0.000 2.418 124 G HA2 -0.266 3.695 3.960 0.003 0.000 0.217 124 G HA3 -0.266 3.695 3.960 0.003 0.000 0.217 124 G C 1.639 176.516 174.900 -0.040 0.000 1.158 124 G CA 1.269 46.337 45.100 -0.053 0.000 0.771 124 G HN 0.184 nan 8.290 nan 0.000 0.545 125 T N 1.245 115.764 114.554 -0.058 0.000 2.746 125 T HA -0.034 4.318 4.350 0.003 0.000 0.267 125 T C 2.382 177.066 174.700 -0.027 0.000 1.039 125 T CA 0.894 62.975 62.100 -0.032 0.000 1.142 125 T CB -0.146 68.701 68.868 -0.035 0.000 0.866 125 T HN 0.243 nan 8.240 nan 0.000 0.444 126 I N 1.234 121.782 120.570 -0.037 0.000 2.226 126 I HA -0.178 3.994 4.170 0.003 0.000 0.245 126 I C 2.896 179.000 176.117 -0.022 0.000 1.100 126 I CA 1.091 62.373 61.300 -0.029 0.000 1.374 126 I CB -0.464 37.516 38.000 -0.034 0.000 1.057 126 I HN 0.191 nan 8.210 nan 0.000 0.413 127 A N 0.754 123.560 122.820 -0.023 0.000 1.933 127 A HA -0.180 4.141 4.320 0.003 0.000 0.218 127 A C 2.316 179.896 177.584 -0.007 0.000 1.175 127 A CA 1.272 53.300 52.037 -0.015 0.000 0.628 127 A CB -0.396 18.595 19.000 -0.015 0.000 0.814 127 A HN 0.258 nan 8.150 nan 0.000 0.444 128 R N -0.180 120.318 120.500 -0.003 0.000 2.096 128 R HA -0.019 4.323 4.340 0.003 0.000 0.235 128 R C 1.993 178.299 176.300 0.010 0.000 1.127 128 R CA 1.144 57.250 56.100 0.011 0.000 0.968 128 R CB -0.972 29.340 30.300 0.019 0.000 0.861 128 R HN 0.600 nan 8.270 nan 0.000 0.440 129 L N 0.072 121.293 121.223 -0.002 0.000 2.072 129 L HA -0.057 4.285 4.340 0.003 0.000 0.205 129 L C 2.459 179.318 176.870 -0.017 0.000 1.079 129 L CA 1.003 55.837 54.840 -0.010 0.000 0.752 129 L CB -0.437 41.611 42.059 -0.019 0.000 0.906 129 L HN 0.053 nan 8.230 nan 0.000 0.436 130 I N -0.007 120.553 120.570 -0.017 0.000 2.226 130 I HA -0.278 3.894 4.170 0.003 0.000 0.245 130 I C 2.110 178.218 176.117 -0.016 0.000 1.100 130 I CA 1.149 62.438 61.300 -0.020 0.000 1.374 130 I CB -0.363 37.627 38.000 -0.017 0.000 1.057 130 I HN 0.254 nan 8.210 nan 0.000 0.413 131 D N 0.776 121.171 120.400 -0.009 0.000 2.097 131 D HA -0.177 4.465 4.640 0.003 0.000 0.195 131 D C 2.149 178.447 176.300 -0.004 0.000 0.989 131 D CA 0.951 54.947 54.000 -0.006 0.000 0.827 131 D CB -0.368 40.430 40.800 -0.004 0.000 0.966 131 D HN 0.137 nan 8.370 nan 0.000 0.456 132 L N 0.872 122.099 121.223 0.006 0.000 1.990 132 L HA -0.174 4.168 4.340 0.003 0.000 0.213 132 L C 2.206 179.064 176.870 -0.021 0.000 1.072 132 L CA 1.516 56.367 54.840 0.018 0.000 0.755 132 L CB -0.949 41.136 42.059 0.044 0.000 0.889 132 L HN 0.106 nan 8.230 nan 0.000 0.432 133 L N 0.094 121.290 121.223 -0.045 0.000 2.131 133 L HA -0.220 4.122 4.340 0.003 0.000 0.210 133 L C 1.995 178.838 176.870 -0.045 0.000 1.092 133 L CA 1.006 55.800 54.840 -0.077 0.000 0.759 133 L CB -0.603 41.410 42.059 -0.077 0.000 0.903 133 L HN 0.384 nan 8.230 nan 0.000 0.435 134 N N -0.548 118.141 118.700 -0.018 0.000 2.412 134 N HA -0.015 4.726 4.740 0.003 0.000 0.184 134 N C 0.951 176.474 175.510 0.021 0.000 1.101 134 N CA 0.433 53.484 53.050 0.001 0.000 0.881 134 N CB 0.145 38.631 38.487 -0.002 0.000 0.969 134 N HN 0.348 nan 8.380 nan 0.000 0.459 135 S N 0.130 115.845 115.700 0.023 0.000 2.671 135 S HA 0.256 4.727 4.470 0.003 0.000 0.272 135 S C 0.643 175.316 174.600 0.123 0.000 1.174 135 S CA -0.514 57.713 58.200 0.045 0.000 1.004 135 S CB 1.176 64.386 63.200 0.015 0.000 1.077 135 S HN 0.074 nan 8.310 nan 0.000 0.553 136 E N 0.038 120.336 120.200 0.164 0.000 2.451 136 E HA 0.321 4.673 4.350 0.003 0.000 0.194 136 E C -0.475 176.425 176.600 0.500 0.000 1.027 136 E CA -0.075 56.520 56.400 0.324 0.000 0.914 136 E CB -0.040 29.755 29.700 0.158 0.000 1.054 136 E HN 0.439 nan 8.360 nan 0.000 0.461 137 L N 0.298 121.730 121.223 0.348 0.000 2.304 137 L HA 0.785 5.127 4.340 0.003 0.000 0.268 137 L C -0.215 176.783 176.870 0.214 0.000 1.010 137 L CA -1.129 53.944 54.840 0.388 0.000 0.813 137 L CB 1.632 43.792 42.059 0.167 0.000 1.315 137 L HN -0.078 nan 8.230 nan 0.000 0.445 138 A N 1.136 124.105 122.820 0.248 0.000 2.515 138 A HA 0.820 5.142 4.320 0.003 0.000 0.298 138 A C -2.806 174.860 177.584 0.136 0.000 1.059 138 A CA -1.417 50.614 52.037 -0.009 0.000 0.698 138 A CB 1.891 20.700 19.000 -0.319 0.000 1.289 138 A HN 0.365 nan 8.150 nan 0.000 0.404 139 P HA 0.374 nan 4.420 nan 0.000 0.275 139 P C -0.324 176.879 177.300 -0.161 0.000 1.228 139 P CA 0.080 63.014 63.100 -0.276 0.000 0.786 139 P CB 1.268 32.810 31.700 -0.264 0.000 0.927 140 A N 3.351 126.053 122.820 -0.196 0.000 2.316 140 A HA 0.463 4.785 4.320 0.003 0.000 0.311 140 A C -0.213 177.299 177.584 -0.120 0.000 1.339 140 A CA -0.388 51.591 52.037 -0.096 0.000 0.960 140 A CB -0.314 18.649 19.000 -0.063 0.000 1.152 140 A HN 0.361 nan 8.150 nan 0.000 0.547 141 V N 5.931 125.780 119.914 -0.108 0.000 2.487 141 V HA 0.409 4.530 4.120 0.003 0.000 0.298 141 V C -2.219 173.769 176.094 -0.177 0.000 1.028 141 V CA -1.756 60.457 62.300 -0.146 0.000 0.860 141 V CB 2.104 33.876 31.823 -0.086 0.000 0.991 141 V HN 0.816 nan 8.190 nan 0.000 0.427 142 P HA 0.064 nan 4.420 nan 0.000 0.268 142 P C 0.717 177.932 177.300 -0.142 0.000 1.205 142 P CA 0.126 63.083 63.100 -0.238 0.000 0.771 142 P CB 0.974 32.459 31.700 -0.359 0.000 0.858 143 S N 2.739 118.391 115.700 -0.081 0.000 2.461 143 S HA 0.014 4.485 4.470 0.003 0.000 0.228 143 S C 0.830 175.413 174.600 -0.029 0.000 1.005 143 S CA 0.124 58.298 58.200 -0.042 0.000 0.942 143 S CB -0.104 63.084 63.200 -0.020 0.000 0.776 143 S HN 0.415 nan 8.310 nan 0.000 0.514 144 R N -0.291 120.188 120.500 -0.035 0.000 2.787 144 R HA 0.630 4.972 4.340 0.003 0.000 0.271 144 R C 0.728 177.024 176.300 -0.007 0.000 0.993 144 R CA -0.085 56.007 56.100 -0.015 0.000 0.993 144 R CB 1.537 31.831 30.300 -0.011 0.000 1.155 144 R HN 0.310 nan 8.270 nan 0.000 0.486 145 G N 0.178 108.984 108.800 0.010 0.000 2.624 145 G HA2 -0.213 3.749 3.960 0.003 0.000 0.190 145 G HA3 -0.213 3.749 3.960 0.003 0.000 0.190 145 G C 0.056 174.971 174.900 0.026 0.000 1.008 145 G CA -0.039 45.075 45.100 0.024 0.000 0.731 145 G HN 0.607 nan 8.290 nan 0.000 0.478 146 T N 0.621 115.188 114.554 0.021 0.000 2.902 146 T HA 0.537 4.889 4.350 0.003 0.000 0.283 146 T C 1.372 176.087 174.700 0.026 0.000 1.009 146 T CA 0.433 62.545 62.100 0.020 0.000 1.051 146 T CB 1.663 70.540 68.868 0.016 0.000 0.999 146 T HN 1.157 nan 8.240 nan 0.000 0.474 147 V N 1.369 121.300 119.914 0.028 0.000 3.444 147 V HA 0.615 4.737 4.120 0.003 0.000 0.308 147 V C 1.144 177.267 176.094 0.049 0.000 1.371 147 V CA 0.194 62.518 62.300 0.039 0.000 1.141 147 V CB -1.303 30.545 31.823 0.042 0.000 1.037 147 V HN 1.378 nan 8.190 nan 0.000 0.433 153 L N -0.345 120.845 121.223 -0.054 0.000 2.046 153 L HA -0.136 4.206 4.340 0.003 0.000 0.208 153 L C 2.376 179.195 176.870 -0.085 0.000 1.077 153 L CA 1.410 56.196 54.840 -0.090 0.000 0.747 153 L CB -0.609 41.374 42.059 -0.126 0.000 0.896 153 L HN 0.083 nan 8.230 nan 0.000 0.432 154 T N 0.416 114.943 114.554 -0.044 0.000 2.674 154 T HA -0.081 4.271 4.350 0.003 0.000 0.265 154 T C -0.439 174.321 174.700 0.101 0.000 1.039 154 T CA 1.712 63.816 62.100 0.006 0.000 1.150 154 T CB -1.070 67.829 68.868 0.052 0.000 0.864 154 T HN 0.305 nan 8.240 nan 0.000 0.427 155 P HA 0.011 nan 4.420 nan 0.000 0.217 155 P C 1.586 178.913 177.300 0.045 0.000 1.150 155 P CA 0.978 64.124 63.100 0.076 0.000 0.832 155 P CB -0.225 31.483 31.700 0.014 0.000 0.787 156 L N -0.597 120.623 121.223 -0.006 0.000 2.093 156 L HA -0.100 4.242 4.340 0.003 0.000 0.208 156 L C 2.797 179.629 176.870 -0.063 0.000 1.085 156 L CA 1.381 56.200 54.840 -0.035 0.000 0.755 156 L CB -1.084 40.947 42.059 -0.046 0.000 0.904 156 L HN -0.056 nan 8.230 nan 0.000 0.435 157 A N -0.906 121.853 122.820 -0.102 0.000 1.902 157 A HA -0.227 4.095 4.320 0.003 0.000 0.217 157 A C 2.142 179.616 177.584 -0.183 0.000 1.181 157 A CA 1.331 53.257 52.037 -0.184 0.000 0.623 157 A CB -0.740 18.092 19.000 -0.280 0.000 0.818 157 A HN 0.402 nan 8.150 nan 0.000 0.443 158 H N -1.106 117.909 119.070 -0.093 0.000 2.387 158 H HA -0.119 4.439 4.556 0.003 0.000 0.299 158 H C 2.106 177.365 175.328 -0.115 0.000 1.090 158 H CA 1.823 57.816 56.048 -0.091 0.000 1.332 158 H CB -0.293 29.419 29.762 -0.083 0.000 1.386 158 H HN 0.615 nan 8.280 nan 0.000 0.516 159 M N 0.554 120.155 119.600 0.001 0.000 2.086 159 M HA -0.154 4.327 4.480 0.003 0.000 0.261 159 M C 2.142 178.395 176.300 -0.078 0.000 1.067 159 M CA 1.370 56.631 55.300 -0.065 0.000 1.116 159 M CB -0.163 32.405 32.600 -0.054 0.000 1.348 159 M HN -0.007 nan 8.290 nan 0.000 0.407 160 V N 1.432 121.305 119.914 -0.069 0.000 2.287 160 V HA -0.318 3.803 4.120 0.003 0.000 0.248 160 V C 2.478 178.538 176.094 -0.057 0.000 1.053 160 V CA 1.994 64.256 62.300 -0.063 0.000 1.027 160 V CB -0.831 30.943 31.823 -0.082 0.000 0.646 160 V HN 0.559 nan 8.190 nan 0.000 0.447 161 L N -0.876 120.305 121.223 -0.071 0.000 2.042 161 L HA -0.237 4.105 4.340 0.003 0.000 0.210 161 L C 2.652 179.490 176.870 -0.054 0.000 1.076 161 L CA 1.666 56.477 54.840 -0.048 0.000 0.749 161 L CB -0.790 41.240 42.059 -0.050 0.000 0.893 161 L HN 0.415 nan 8.230 nan 0.000 0.432 162 C N -0.128 119.094 119.300 -0.130 0.000 2.432 162 C HA -0.150 4.312 4.460 0.003 0.000 0.277 162 C C 2.653 177.560 174.990 -0.139 0.000 1.249 162 C CA 0.414 59.248 59.018 -0.307 0.000 1.725 162 C CB -0.852 26.533 27.740 -0.591 0.000 2.028 162 C HN 0.442 nan 8.230 nan 0.000 0.477 163 L N 0.358 121.563 121.223 -0.031 0.000 2.450 163 L HA -0.161 4.180 4.340 0.003 0.000 0.224 163 L C 2.337 179.283 176.870 0.128 0.000 1.149 163 L CA 1.231 56.152 54.840 0.135 0.000 0.816 163 L CB -0.628 41.473 42.059 0.070 0.000 0.932 163 L HN 0.541 nan 8.230 nan 0.000 0.449 164 Q N -0.478 119.368 119.800 0.077 0.000 2.319 164 Q HA 0.147 4.489 4.340 0.003 0.000 0.202 164 Q C 1.290 177.346 176.000 0.094 0.000 0.896 164 Q CA 0.471 56.316 55.803 0.069 0.000 0.942 164 Q CB 0.792 29.551 28.738 0.035 0.000 1.083 164 Q HN 0.523 nan 8.270 nan 0.000 0.510 165 G N 1.843 110.731 108.800 0.148 0.000 2.136 165 G HA2 -0.308 3.654 3.960 0.003 0.000 0.242 165 G HA3 -0.308 3.654 3.960 0.003 0.000 0.242 165 G C 0.524 175.491 174.900 0.112 0.000 0.989 165 G CA 0.094 45.299 45.100 0.176 0.000 0.682 165 G HN 0.315 nan 8.290 nan 0.000 0.522 166 R N -0.031 120.510 120.500 0.068 0.000 2.507 166 R HA 0.464 4.806 4.340 0.003 0.000 0.298 166 R C 1.021 177.334 176.300 0.022 0.000 0.999 166 R CA 0.493 56.620 56.100 0.045 0.000 1.082 166 R CB 0.860 31.184 30.300 0.041 0.000 1.246 166 R HN 0.531 nan 8.270 nan 0.000 0.553 167 G N -0.310 108.489 108.800 -0.002 0.000 2.692 167 G HA2 0.237 4.198 3.960 0.003 0.000 0.291 167 G HA3 0.237 4.198 3.960 0.003 0.000 0.291 167 G C -1.465 173.383 174.900 -0.087 0.000 1.423 167 G CA -0.674 44.398 45.100 -0.046 0.000 0.843 167 G HN -0.131 nan 8.290 nan 0.000 0.486 168 D N -0.549 119.810 120.400 -0.068 0.000 2.371 168 D HA 0.565 5.207 4.640 0.003 0.000 0.242 168 D C -0.485 175.718 176.300 -0.162 0.000 1.218 168 D CA 0.554 54.546 54.000 -0.012 0.000 0.945 168 D CB 0.829 41.643 40.800 0.024 0.000 1.137 168 D HN 0.107 nan 8.370 nan 0.000 0.464 169 F N -0.790 119.186 119.950 0.044 0.000 2.611 169 F HA 0.516 5.045 4.527 0.003 0.000 0.324 169 F C -0.231 175.617 175.800 0.080 0.000 1.061 169 F CA -0.911 57.124 58.000 0.058 0.000 0.954 169 F CB 1.242 40.277 39.000 0.059 0.000 1.301 169 F HN -0.077 nan 8.300 nan 0.000 0.482 170 L N 1.637 123.067 121.223 0.344 0.000 2.362 170 L HA 0.436 4.778 4.340 0.003 0.000 0.271 170 L C -0.946 176.140 176.870 0.361 0.000 1.002 170 L CA -1.054 53.960 54.840 0.290 0.000 0.818 170 L CB 1.840 44.076 42.059 0.294 0.000 1.298 170 L HN 0.584 nan 8.230 nan 0.000 0.420 171 D N 1.615 122.126 120.400 0.186 0.000 2.432 171 D HA 0.211 4.852 4.640 0.003 0.000 0.258 171 D C 0.799 176.960 176.300 -0.233 0.000 1.146 171 D CA -0.604 53.436 54.000 0.066 0.000 1.015 171 D CB 1.024 41.821 40.800 -0.005 0.000 1.107 171 D HN 0.379 nan 8.370 nan 0.000 0.529 172 R N -0.320 119.797 120.500 -0.638 0.000 2.133 172 R HA -0.144 4.197 4.340 0.003 0.000 0.247 172 R C 0.953 176.891 176.300 -0.604 0.000 1.151 172 R CA 1.742 57.100 56.100 -1.237 0.000 0.971 172 R CB -0.220 29.484 30.300 -0.992 0.000 0.866 172 R HN 0.560 nan 8.270 nan 0.000 0.447 173 D N -1.304 118.910 120.400 -0.310 0.000 2.363 173 D HA 0.012 4.654 4.640 0.003 0.000 0.220 173 D C 1.265 177.517 176.300 -0.079 0.000 0.994 173 D CA 1.171 55.074 54.000 -0.161 0.000 0.890 173 D CB 0.534 41.269 40.800 -0.108 0.000 0.906 173 D HN 0.509 nan 8.370 nan 0.000 0.530 174 G N 1.293 110.064 108.800 -0.049 0.000 2.176 174 G HA2 -0.269 3.692 3.960 0.003 0.000 0.232 174 G HA3 -0.269 3.692 3.960 0.003 0.000 0.232 174 G C 0.661 175.584 174.900 0.039 0.000 0.986 174 G CA 0.425 45.545 45.100 0.034 0.000 0.643 174 G HN 0.436 nan 8.290 nan 0.000 0.522 175 T N -0.255 114.310 114.554 0.017 0.000 2.888 175 T HA 0.555 4.906 4.350 0.003 0.000 0.301 175 T C 0.553 175.287 174.700 0.057 0.000 1.001 175 T CA -0.063 62.053 62.100 0.026 0.000 1.147 175 T CB 1.122 69.995 68.868 0.009 0.000 0.931 175 T HN 0.528 nan 8.240 nan 0.000 0.541 176 R N 2.297 122.832 120.500 0.058 0.000 2.410 176 R HA 0.605 4.947 4.340 0.003 0.000 0.288 176 R C -0.307 176.044 176.300 0.085 0.000 1.051 176 R CA -0.662 55.486 56.100 0.080 0.000 1.021 176 R CB 0.778 31.115 30.300 0.061 0.000 1.032 176 R HN 0.610 nan 8.270 nan 0.000 0.481 177 L N 1.815 123.114 121.223 0.126 0.000 2.381 177 L HA 0.339 4.680 4.340 0.003 0.000 0.268 177 L C -0.295 176.669 176.870 0.158 0.000 0.997 177 L CA -1.299 53.616 54.840 0.124 0.000 0.818 177 L CB 1.972 44.107 42.059 0.127 0.000 1.310 177 L HN 0.676 nan 8.230 nan 0.000 0.416 178 D N 0.930 121.402 120.400 0.120 0.000 2.371 178 D HA 0.130 4.772 4.640 0.003 0.000 0.242 178 D C 1.265 177.685 176.300 0.200 0.000 1.218 178 D CA -0.048 54.028 54.000 0.125 0.000 0.945 178 D CB 0.811 41.659 40.800 0.080 0.000 1.137 178 D HN 0.577 nan 8.370 nan 0.000 0.464 179 G N -0.254 108.662 108.800 0.193 0.000 2.491 179 G HA2 -0.266 3.696 3.960 0.003 0.000 0.218 179 G HA3 -0.266 3.696 3.960 0.003 0.000 0.218 179 G C 1.518 176.546 174.900 0.214 0.000 1.180 179 G CA 1.708 46.973 45.100 0.275 0.000 0.774 179 G HN 0.693 nan 8.290 nan 0.000 0.562 180 A N 0.679 123.570 122.820 0.117 0.000 1.908 180 A HA -0.072 4.250 4.320 0.003 0.000 0.218 180 A C 2.220 179.822 177.584 0.029 0.000 1.181 180 A CA 2.360 54.436 52.037 0.065 0.000 0.627 180 A CB -0.479 18.549 19.000 0.047 0.000 0.818 180 A HN 0.434 nan 8.150 nan 0.000 0.445 181 E N 0.072 120.294 120.200 0.036 0.000 2.106 181 E HA -0.031 4.321 4.350 0.003 0.000 0.192 181 E C 1.964 178.527 176.600 -0.062 0.000 0.984 181 E CA 1.550 57.951 56.400 0.002 0.000 0.806 181 E CB -0.838 28.877 29.700 0.025 0.000 0.750 181 E HN 0.395 nan 8.360 nan 0.000 0.458 182 G N 0.824 109.578 108.800 -0.077 0.000 2.421 182 G HA2 -0.229 3.733 3.960 0.003 0.000 0.216 182 G HA3 -0.229 3.733 3.960 0.003 0.000 0.216 182 G C 1.614 176.165 174.900 -0.582 0.000 1.171 182 G CA 0.957 45.787 45.100 -0.450 0.000 0.775 182 G HN 0.310 nan 8.290 nan 0.000 0.543 183 L N -0.317 120.706 121.223 -0.334 0.000 2.046 183 L HA -0.061 4.281 4.340 0.003 0.000 0.208 183 L C 3.220 180.001 176.870 -0.147 0.000 1.077 183 L CA 1.125 55.837 54.840 -0.213 0.000 0.747 183 L CB -0.365 41.663 42.059 -0.052 0.000 0.896 183 L HN 0.179 nan 8.230 nan 0.000 0.432 184 R N -0.339 120.099 120.500 -0.104 0.000 2.062 184 R HA -0.149 4.193 4.340 0.003 0.000 0.231 184 R C 2.449 178.701 176.300 -0.079 0.000 1.136 184 R CA 1.320 57.379 56.100 -0.069 0.000 0.948 184 R CB -0.358 29.917 30.300 -0.041 0.000 0.845 184 R HN 0.215 nan 8.270 nan 0.000 0.430 185 R N 0.215 120.657 120.500 -0.096 0.000 2.096 185 R HA -0.088 4.254 4.340 0.003 0.000 0.235 185 R C 2.022 178.266 176.300 -0.093 0.000 1.127 185 R CA 1.657 57.708 56.100 -0.081 0.000 0.968 185 R CB -0.311 29.946 30.300 -0.072 0.000 0.861 185 R HN 0.347 nan 8.270 nan 0.000 0.440 186 G N -0.481 108.226 108.800 -0.155 0.000 2.813 186 G HA2 -0.070 3.892 3.960 0.003 0.000 0.209 186 G HA3 -0.070 3.892 3.960 0.003 0.000 0.209 186 G C -0.146 174.696 174.900 -0.097 0.000 1.150 186 G CA -0.194 44.825 45.100 -0.136 0.000 0.785 186 G HN 0.334 nan 8.290 nan 0.000 0.535 187 R N -1.093 119.352 120.500 -0.090 0.000 3.209 187 R HA -0.128 4.214 4.340 0.003 0.000 0.252 187 R C -0.839 175.427 176.300 -0.056 0.000 0.958 187 R CA 0.320 56.385 56.100 -0.058 0.000 0.651 187 R CB -2.263 28.015 30.300 -0.037 0.000 1.142 187 R HN 0.335 nan 8.270 nan 0.000 0.441 188 L N 0.738 121.916 121.223 -0.075 0.000 2.346 188 L HA 0.389 4.730 4.340 0.003 0.000 0.276 188 L C 0.630 177.487 176.870 -0.023 0.000 1.006 188 L CA -0.857 53.952 54.840 -0.051 0.000 0.817 188 L CB 1.958 43.969 42.059 -0.080 0.000 1.272 188 L HN 0.110 nan 8.230 nan 0.000 0.421 189 Q N 3.474 123.274 119.800 -0.000 0.000 2.235 189 Q HA 0.330 4.671 4.340 0.003 0.000 0.250 189 Q C -2.241 173.777 176.000 0.031 0.000 0.909 189 Q CA -1.853 53.957 55.803 0.012 0.000 0.910 189 Q CB 1.238 29.983 28.738 0.012 0.000 1.223 189 Q HN 0.331 nan 8.270 nan 0.000 0.432 190 P HA -0.058 nan 4.420 nan 0.000 0.267 190 P C -0.649 176.679 177.300 0.045 0.000 1.205 190 P CA -0.300 62.831 63.100 0.051 0.000 0.765 190 P CB 0.484 32.211 31.700 0.045 0.000 0.828 191 L N 3.554 124.807 121.223 0.050 0.000 2.559 191 L HA 0.112 4.454 4.340 0.003 0.000 0.274 191 L C 0.040 176.931 176.870 0.034 0.000 1.205 191 L CA 0.781 55.644 54.840 0.038 0.000 0.907 191 L CB -0.618 41.460 42.059 0.032 0.000 1.153 191 L HN 0.296 nan 8.230 nan 0.000 0.490 192 D N 4.890 125.314 120.400 0.041 0.000 2.425 192 D HA 0.232 4.874 4.640 0.003 0.000 0.240 192 D C -0.075 176.267 176.300 0.070 0.000 1.080 192 D CA -0.201 53.829 54.000 0.050 0.000 0.836 192 D CB 0.832 41.668 40.800 0.060 0.000 1.125 192 D HN 0.626 nan 8.370 nan 0.000 0.525 193 L N 3.203 124.457 121.223 0.051 0.000 2.848 193 L HA 0.095 4.437 4.340 0.003 0.000 0.240 193 L C 1.911 178.819 176.870 0.064 0.000 1.232 193 L CA -0.151 54.725 54.840 0.061 0.000 1.031 193 L CB -0.101 41.972 42.059 0.023 0.000 1.338 193 L HN 0.370 nan 8.230 nan 0.000 0.509 194 S N -2.075 113.658 115.700 0.055 0.000 2.442 194 S HA -0.212 4.260 4.470 0.003 0.000 0.236 194 S C 1.442 175.994 174.600 -0.080 0.000 1.007 194 S CA 0.953 59.134 58.200 -0.032 0.000 0.965 194 S CB -0.434 62.709 63.200 -0.095 0.000 0.773 194 S HN 0.541 nan 8.310 nan 0.000 0.504 195 H N 1.475 120.540 119.070 -0.008 0.000 2.556 195 H HA 0.361 4.919 4.556 0.003 0.000 0.268 195 H C 0.641 175.962 175.328 -0.011 0.000 0.996 195 H CA 0.430 56.471 56.048 -0.013 0.000 1.157 195 H CB -0.114 29.637 29.762 -0.018 0.000 1.355 195 H HN 0.365 nan 8.280 nan 0.000 0.597 196 R N 0.762 121.317 120.500 0.091 0.000 3.656 196 R HA -0.133 4.209 4.340 0.003 0.000 0.297 196 R C -0.717 175.633 176.300 0.084 0.000 1.166 196 R CA 0.844 56.985 56.100 0.069 0.000 0.799 196 R CB -1.803 28.527 30.300 0.050 0.000 1.285 196 R HN 0.529 nan 8.270 nan 0.000 0.477 197 D N -0.891 119.561 120.400 0.087 0.000 2.491 197 D HA 0.232 4.874 4.640 0.003 0.000 0.228 197 D C 1.238 177.578 176.300 0.067 0.000 1.183 197 D CA 0.338 54.384 54.000 0.076 0.000 0.827 197 D CB 0.322 41.149 40.800 0.044 0.000 0.989 197 D HN 0.299 nan 8.370 nan 0.000 0.494 198 A N 0.361 123.218 122.820 0.061 0.000 1.972 198 A HA -0.105 4.217 4.320 0.003 0.000 0.219 198 A C 1.938 179.543 177.584 0.034 0.000 1.169 198 A CA 0.763 52.817 52.037 0.027 0.000 0.635 198 A CB -0.515 18.488 19.000 0.004 0.000 0.810 198 A HN 0.293 nan 8.150 nan 0.000 0.446 199 L N -0.677 120.599 121.223 0.089 0.000 2.456 199 L HA -0.037 4.305 4.340 0.003 0.000 0.224 199 L C 2.682 179.607 176.870 0.092 0.000 1.148 199 L CA 1.229 56.134 54.840 0.108 0.000 0.825 199 L CB -0.428 41.751 42.059 0.200 0.000 0.937 199 L HN 0.389 nan 8.230 nan 0.000 0.450 200 A N -1.155 121.717 122.820 0.087 0.000 2.067 200 A HA 0.023 4.345 4.320 0.003 0.000 0.217 200 A C 2.119 179.722 177.584 0.032 0.000 1.156 200 A CA 1.020 53.099 52.037 0.071 0.000 0.683 200 A CB -0.278 18.764 19.000 0.069 0.000 0.808 200 A HN 0.399 nan 8.150 nan 0.000 0.455 201 L N -1.125 120.106 121.223 0.014 0.000 2.425 201 L HA 0.126 4.467 4.340 0.003 0.000 0.215 201 L C 0.033 176.888 176.870 -0.026 0.000 1.065 201 L CA 0.201 55.036 54.840 -0.010 0.000 0.842 201 L CB 0.394 42.441 42.059 -0.019 0.000 1.033 201 L HN 0.049 nan 8.230 nan 0.000 0.474 202 V N 1.821 121.714 119.914 -0.034 0.000 2.217 202 V HA 0.385 4.507 4.120 0.003 0.000 0.264 202 V C -0.492 175.581 176.094 -0.036 0.000 1.107 202 V CA -0.233 62.029 62.300 -0.064 0.000 0.913 202 V CB -0.156 31.592 31.823 -0.125 0.000 1.153 202 V HN 0.319 nan 8.190 nan 0.000 0.469 203 N N 1.691 120.382 118.700 -0.016 0.000 3.348 203 N HA 0.523 5.265 4.740 0.003 0.000 0.233 203 N C -0.009 175.519 175.510 0.031 0.000 1.440 203 N CA 0.591 53.649 53.050 0.014 0.000 0.887 203 N CB 2.242 40.755 38.487 0.044 0.000 1.410 203 N HN 0.728 nan 8.380 nan 0.000 0.502 204 G N -0.038 108.812 108.800 0.083 0.000 2.645 204 G HA2 -0.249 3.713 3.960 0.003 0.000 0.246 204 G HA3 -0.249 3.713 3.960 0.003 0.000 0.246 204 G C 0.259 175.202 174.900 0.071 0.000 1.322 204 G CA 0.551 45.703 45.100 0.088 0.000 0.898 204 G HN 1.184 nan 8.290 nan 0.000 0.573 205 T N -3.047 111.534 114.554 0.045 0.000 3.243 205 T HA 0.551 4.903 4.350 0.003 0.000 0.264 205 T C 1.885 176.589 174.700 0.007 0.000 1.000 205 T CA 0.985 63.104 62.100 0.031 0.000 0.901 205 T CB 0.381 69.263 68.868 0.024 0.000 1.083 205 T HN 0.857 nan 8.240 nan 0.000 0.559 206 S N 1.921 117.621 115.700 0.000 0.000 2.374 206 S HA -0.129 4.343 4.470 0.003 0.000 0.227 206 S C 2.480 177.071 174.600 -0.015 0.000 1.037 206 S CA 1.436 59.628 58.200 -0.014 0.000 1.024 206 S CB -0.690 62.499 63.200 -0.019 0.000 0.861 206 S HN 0.838 nan 8.310 nan 0.000 0.456 207 A N 2.592 125.408 122.820 -0.008 0.000 1.855 207 A HA -0.090 4.232 4.320 0.003 0.000 0.215 207 A C 2.294 179.880 177.584 0.003 0.000 1.191 207 A CA 1.817 53.850 52.037 -0.006 0.000 0.613 207 A CB -0.810 18.189 19.000 -0.003 0.000 0.829 207 A HN 0.669 nan 8.150 nan 0.000 0.442 208 M N -1.534 118.071 119.600 0.010 0.000 2.213 208 M HA -0.080 4.402 4.480 0.003 0.000 0.263 208 M C 1.787 178.094 176.300 0.010 0.000 1.062 208 M CA 2.246 57.556 55.300 0.017 0.000 1.105 208 M CB -1.289 31.323 32.600 0.021 0.000 1.385 208 M HN 0.160 nan 8.290 nan 0.000 0.417 209 T N 1.174 115.725 114.554 -0.004 0.000 2.777 209 T HA 0.011 4.363 4.350 0.003 0.000 0.266 209 T C 1.988 176.685 174.700 -0.005 0.000 1.040 209 T CA 1.635 63.724 62.100 -0.018 0.000 1.141 209 T CB -0.715 68.133 68.868 -0.033 0.000 0.868 209 T HN 0.715 nan 8.240 nan 0.000 0.444 210 G N 1.231 110.027 108.800 -0.007 0.000 2.402 210 G HA2 -0.110 3.852 3.960 0.003 0.000 0.216 210 G HA3 -0.110 3.852 3.960 0.003 0.000 0.216 210 G C 1.525 176.438 174.900 0.022 0.000 1.162 210 G CA 0.414 45.510 45.100 -0.007 0.000 0.777 210 G HN 0.480 nan 8.290 nan 0.000 0.539 211 I N 1.374 121.962 120.570 0.030 0.000 2.226 211 I HA -0.154 4.018 4.170 0.003 0.000 0.245 211 I C 3.268 179.437 176.117 0.085 0.000 1.100 211 I CA 0.985 62.318 61.300 0.053 0.000 1.374 211 I CB -0.177 37.851 38.000 0.048 0.000 1.057 211 I HN 0.235 nan 8.210 nan 0.000 0.413 212 A N 1.320 124.191 122.820 0.086 0.000 1.933 212 A HA -0.176 4.146 4.320 0.003 0.000 0.218 212 A C 2.248 179.935 177.584 0.173 0.000 1.175 212 A CA 1.819 53.944 52.037 0.146 0.000 0.628 212 A CB -0.841 18.215 19.000 0.093 0.000 0.814 212 A HN 0.516 nan 8.150 nan 0.000 0.444 213 L N -2.079 119.211 121.223 0.112 0.000 2.217 213 L HA 0.031 4.373 4.340 0.003 0.000 0.211 213 L C 1.914 178.890 176.870 0.178 0.000 1.107 213 L CA 1.473 56.389 54.840 0.126 0.000 0.783 213 L CB -0.941 41.161 42.059 0.071 0.000 0.919 213 L HN 0.004 nan 8.230 nan 0.000 0.442 214 V N 0.746 120.765 119.914 0.174 0.000 2.488 214 V HA -0.134 3.987 4.120 0.003 0.000 0.246 214 V C 2.394 178.604 176.094 0.194 0.000 1.046 214 V CA 1.573 64.014 62.300 0.234 0.000 1.053 214 V CB -0.892 31.041 31.823 0.183 0.000 0.679 214 V HN 0.496 nan 8.190 nan 0.000 0.458 215 N N 0.943 119.732 118.700 0.149 0.000 2.120 215 N HA -0.108 4.633 4.740 0.003 0.000 0.188 215 N C 1.926 177.480 175.510 0.074 0.000 1.024 215 N CA 1.651 54.764 53.050 0.107 0.000 0.852 215 N CB -0.552 37.983 38.487 0.079 0.000 1.003 215 N HN 0.465 nan 8.380 nan 0.000 0.424 216 A N 0.340 123.224 122.820 0.106 0.000 1.908 216 A HA -0.223 4.099 4.320 0.003 0.000 0.218 216 A C 2.121 179.721 177.584 0.028 0.000 1.181 216 A CA 1.938 54.019 52.037 0.074 0.000 0.627 216 A CB -0.972 18.135 19.000 0.178 0.000 0.818 216 A HN 0.471 nan 8.150 nan 0.000 0.445 217 H N -0.376 118.660 119.070 -0.057 0.000 2.357 217 H HA 0.105 4.663 4.556 0.003 0.000 0.301 217 H C 2.178 177.426 175.328 -0.134 0.000 1.082 217 H CA 1.768 57.697 56.048 -0.198 0.000 1.342 217 H CB -0.195 29.297 29.762 -0.450 0.000 1.389 217 H HN 0.399 nan 8.280 nan 0.000 0.511 218 A N -0.409 122.436 122.820 0.042 0.000 1.902 218 A HA -0.160 4.162 4.320 0.003 0.000 0.217 218 A C 2.645 180.230 177.584 0.002 0.000 1.181 218 A CA 1.398 53.471 52.037 0.060 0.000 0.623 218 A CB -1.159 17.910 19.000 0.114 0.000 0.818 218 A HN 0.640 nan 8.150 nan 0.000 0.443 219 C N -1.287 118.028 119.300 0.025 0.000 2.435 219 C HA -0.013 4.449 4.460 0.003 0.000 0.279 219 C C 2.767 177.754 174.990 -0.005 0.000 1.321 219 C CA 1.094 60.174 59.018 0.103 0.000 1.752 219 C CB -1.320 26.501 27.740 0.136 0.000 1.959 219 C HN 0.728 nan 8.230 nan 0.000 0.500 220 R N -0.100 120.294 120.500 -0.176 0.000 2.075 220 R HA -0.123 4.219 4.340 0.003 0.000 0.232 220 R C 2.254 178.366 176.300 -0.314 0.000 1.126 220 R CA 1.499 57.415 56.100 -0.307 0.000 0.963 220 R CB -0.399 29.618 30.300 -0.472 0.000 0.858 220 R HN 0.594 nan 8.270 nan 0.000 0.435 221 H N 0.564 119.502 119.070 -0.221 0.000 2.326 221 H HA -0.086 4.472 4.556 0.003 0.000 0.301 221 H C 2.183 177.492 175.328 -0.032 0.000 1.081 221 H CA 1.655 57.617 56.048 -0.143 0.000 1.334 221 H CB -0.231 29.449 29.762 -0.136 0.000 1.385 221 H HN 0.234 nan 8.280 nan 0.000 0.504 222 L N -0.207 120.994 121.223 -0.037 0.000 2.083 222 L HA -0.093 4.249 4.340 0.003 0.000 0.209 222 L C 2.740 179.448 176.870 -0.270 0.000 1.083 222 L CA 1.094 55.727 54.840 -0.345 0.000 0.752 222 L CB -0.782 40.696 42.059 -0.968 0.000 0.899 222 L HN 0.304 nan 8.230 nan 0.000 0.433 223 G N -0.221 108.559 108.800 -0.033 0.000 2.432 223 G HA2 -0.246 3.716 3.960 0.003 0.000 0.219 223 G HA3 -0.246 3.716 3.960 0.003 0.000 0.219 223 G C 1.400 176.391 174.900 0.152 0.000 1.135 223 G CA 0.492 45.760 45.100 0.280 0.000 0.767 223 G HN 0.311 nan 8.290 nan 0.000 0.550 224 N N -0.010 118.674 118.700 -0.027 0.000 2.188 224 N HA -0.071 4.670 4.740 0.003 0.000 0.184 224 N C 1.806 177.229 175.510 -0.145 0.000 1.018 224 N CA 0.747 53.722 53.050 -0.124 0.000 0.858 224 N CB -0.302 38.050 38.487 -0.224 0.000 0.989 224 N HN 0.578 nan 8.380 nan 0.000 0.426 225 W N 1.608 122.857 121.300 -0.086 0.000 2.409 225 W HA 0.080 4.742 4.660 0.003 0.000 0.299 225 W C 2.484 178.971 176.519 -0.054 0.000 1.203 225 W CA 1.115 58.404 57.345 -0.093 0.000 1.298 225 W CB -0.439 28.919 29.460 -0.170 0.000 1.127 225 W HN 0.015 nan 8.180 nan 0.000 0.528 226 A N -0.074 122.859 122.820 0.188 0.000 1.908 226 A HA -0.203 4.119 4.320 0.003 0.000 0.218 226 A C 1.995 179.662 177.584 0.138 0.000 1.181 226 A CA 2.291 54.449 52.037 0.203 0.000 0.627 226 A CB -1.140 18.069 19.000 0.348 0.000 0.818 226 A HN 0.105 nan 8.150 nan 0.000 0.445 227 V N -0.387 119.597 119.914 0.116 0.000 2.270 227 V HA -0.197 3.925 4.120 0.003 0.000 0.245 227 V C 3.082 179.163 176.094 -0.022 0.000 1.043 227 V CA 1.903 64.218 62.300 0.025 0.000 1.014 227 V CB -1.248 30.598 31.823 0.039 0.000 0.645 227 V HN 0.619 nan 8.190 nan 0.000 0.447 228 A N -0.311 122.488 122.820 -0.036 0.000 1.940 228 A HA -0.183 4.139 4.320 0.003 0.000 0.219 228 A C 2.186 179.790 177.584 0.034 0.000 1.176 228 A CA 1.930 53.936 52.037 -0.052 0.000 0.631 228 A CB -0.555 18.334 19.000 -0.184 0.000 0.814 228 A HN 0.528 nan 8.150 nan 0.000 0.446 229 L N -1.296 119.984 121.223 0.096 0.000 2.179 229 L HA -0.088 4.254 4.340 0.003 0.000 0.208 229 L C 2.658 179.589 176.870 0.102 0.000 1.096 229 L CA 1.450 56.362 54.840 0.121 0.000 0.779 229 L CB -0.788 41.363 42.059 0.153 0.000 0.922 229 L HN 0.302 nan 8.230 nan 0.000 0.443 230 T N 0.119 114.724 114.554 0.086 0.000 2.788 230 T HA -0.131 4.221 4.350 0.003 0.000 0.268 230 T C 2.034 176.840 174.700 0.177 0.000 1.044 230 T CA 1.297 63.459 62.100 0.103 0.000 1.139 230 T CB -0.097 68.781 68.868 0.016 0.000 0.867 230 T HN 0.431 nan 8.240 nan 0.000 0.454 231 A N 1.323 124.213 122.820 0.115 0.000 1.873 231 A HA 0.016 4.338 4.320 0.003 0.000 0.215 231 A C 2.191 179.890 177.584 0.191 0.000 1.186 231 A CA 1.154 53.316 52.037 0.207 0.000 0.616 231 A CB -0.832 18.225 19.000 0.095 0.000 0.823 231 A HN 0.399 nan 8.150 nan 0.000 0.442 232 L N -0.700 120.594 121.223 0.119 0.000 2.131 232 L HA -0.088 4.254 4.340 0.003 0.000 0.210 232 L C 2.178 179.103 176.870 0.091 0.000 1.092 232 L CA 1.721 56.616 54.840 0.093 0.000 0.759 232 L CB -0.666 41.438 42.059 0.076 0.000 0.903 232 L HN 0.384 nan 8.230 nan 0.000 0.435 233 L N -0.165 121.123 121.223 0.109 0.000 2.046 233 L HA -0.083 4.259 4.340 0.003 0.000 0.208 233 L C 2.507 179.434 176.870 0.094 0.000 1.077 233 L CA 2.062 56.958 54.840 0.092 0.000 0.747 233 L CB -1.072 41.051 42.059 0.108 0.000 0.896 233 L HN 0.247 nan 8.230 nan 0.000 0.432 234 A N -0.791 122.118 122.820 0.148 0.000 1.940 234 A HA -0.223 4.099 4.320 0.003 0.000 0.219 234 A C 2.135 179.741 177.584 0.035 0.000 1.176 234 A CA 1.867 53.956 52.037 0.086 0.000 0.631 234 A CB -0.626 18.447 19.000 0.120 0.000 0.814 234 A HN 0.650 nan 8.150 nan 0.000 0.446 235 E N -1.129 119.106 120.200 0.060 0.000 2.274 235 E HA -0.119 4.233 4.350 0.003 0.000 0.194 235 E C 1.693 178.306 176.600 0.023 0.000 0.996 235 E CA 0.986 57.407 56.400 0.035 0.000 0.840 235 E CB -0.236 29.492 29.700 0.046 0.000 0.772 235 E HN 0.689 nan 8.360 nan 0.000 0.491 236 C N 0.075 119.392 119.300 0.027 0.000 2.590 236 C HA 0.152 4.614 4.460 0.003 0.000 0.272 236 C C 1.753 176.748 174.990 0.007 0.000 1.338 236 C CA 0.026 59.054 59.018 0.016 0.000 1.746 236 C CB -0.226 27.523 27.740 0.015 0.000 2.020 236 C HN 0.311 nan 8.230 nan 0.000 0.531 237 L N 0.006 121.234 121.223 0.007 0.000 3.168 237 L HA 0.281 4.623 4.340 0.003 0.000 0.277 237 L C 0.286 177.148 176.870 -0.015 0.000 1.245 237 L CA -0.093 54.746 54.840 -0.002 0.000 1.035 237 L CB -0.295 41.767 42.059 0.004 0.000 1.399 237 L HN 0.236 nan 8.230 nan 0.000 0.580 238 R N 0.632 121.120 120.500 -0.019 0.000 3.322 238 R HA -0.158 4.184 4.340 0.003 0.000 0.253 238 R C 0.686 176.949 176.300 -0.062 0.000 0.987 238 R CA 0.452 56.531 56.100 -0.034 0.000 0.666 238 R CB -1.928 28.358 30.300 -0.022 0.000 1.072 238 R HN 0.505 nan 8.270 nan 0.000 0.447 239 G N 0.693 109.441 108.800 -0.086 0.000 2.544 239 G HA2 0.188 4.150 3.960 0.003 0.000 0.242 239 G HA3 0.188 4.150 3.960 0.003 0.000 0.242 239 G C 0.066 174.817 174.900 -0.248 0.000 1.247 239 G CA -0.581 44.423 45.100 -0.160 0.000 0.840 239 G HN 0.250 nan 8.290 nan 0.000 0.578 240 R N 0.627 120.955 120.500 -0.288 0.000 2.221 240 R HA 0.229 4.571 4.340 0.003 0.000 0.327 240 R C 1.522 177.516 176.300 -0.511 0.000 1.033 240 R CA 0.191 56.115 56.100 -0.294 0.000 0.887 240 R CB 0.870 31.059 30.300 -0.185 0.000 1.057 240 R HN 0.701 nan 8.270 nan 0.000 0.455 241 T N -1.239 113.055 114.554 -0.433 0.000 3.085 241 T HA -0.120 4.231 4.350 0.003 0.000 0.263 241 T C 1.410 175.955 174.700 -0.259 0.000 1.127 241 T CA 0.786 62.605 62.100 -0.467 0.000 1.103 241 T CB -0.033 68.708 68.868 -0.211 0.000 0.921 241 T HN 0.739 nan 8.240 nan 0.000 0.510 242 E N 1.829 121.920 120.200 -0.182 0.000 2.204 242 E HA -0.025 4.326 4.350 0.003 0.000 0.195 242 E C 2.221 178.793 176.600 -0.047 0.000 0.990 242 E CA 0.915 57.269 56.400 -0.077 0.000 0.821 242 E CB -0.565 29.105 29.700 -0.049 0.000 0.750 242 E HN 0.601 nan 8.360 nan 0.000 0.477 243 A N 0.825 123.569 122.820 -0.126 0.000 2.067 243 A HA -0.090 4.232 4.320 0.003 0.000 0.219 243 A C 0.997 178.722 177.584 0.236 0.000 1.158 243 A CA 0.709 52.742 52.037 -0.007 0.000 0.661 243 A CB -0.612 18.349 19.000 -0.065 0.000 0.801 243 A HN 0.497 nan 8.150 nan 0.000 0.452 244 W N -0.254 121.047 121.300 0.002 0.000 3.239 244 W HA 0.606 5.267 4.660 0.002 0.000 0.368 244 W C 0.805 177.326 176.519 0.004 0.000 1.154 244 W CA -1.097 56.250 57.345 0.004 0.000 1.860 244 W CB -1.377 28.087 29.460 0.007 0.000 1.094 244 W HN 0.345 nan 8.180 nan 0.000 0.643 245 A N 0.839 123.773 122.820 0.190 0.000 2.498 245 A HA 0.438 4.759 4.320 0.003 0.000 0.239 245 A C 1.677 179.316 177.584 0.092 0.000 1.068 245 A CA 0.680 52.784 52.037 0.112 0.000 0.766 245 A CB 0.592 19.631 19.000 0.064 0.000 1.003 245 A HN 0.253 nan 8.150 nan 0.000 0.497 246 A N 2.403 125.265 122.820 0.070 0.000 1.972 246 A HA 0.127 4.449 4.320 0.003 0.000 0.219 246 A C 2.351 179.958 177.584 0.038 0.000 1.169 246 A CA 2.213 54.281 52.037 0.051 0.000 0.635 246 A CB -0.938 18.085 19.000 0.039 0.000 0.810 246 A HN 1.740 nan 8.150 nan 0.000 0.446 247 A N -0.178 122.663 122.820 0.035 0.000 1.940 247 A HA -0.095 4.227 4.320 0.003 0.000 0.219 247 A C 2.142 179.740 177.584 0.023 0.000 1.176 247 A CA 1.556 53.607 52.037 0.024 0.000 0.631 247 A CB -0.555 18.457 19.000 0.021 0.000 0.814 247 A HN 0.497 nan 8.150 nan 0.000 0.446 248 L N -0.659 120.585 121.223 0.034 0.000 2.093 248 L HA -0.142 4.200 4.340 0.003 0.000 0.208 248 L C 2.842 179.729 176.870 0.028 0.000 1.085 248 L CA 1.369 56.229 54.840 0.032 0.000 0.755 248 L CB -0.438 41.650 42.059 0.049 0.000 0.904 248 L HN 0.337 nan 8.230 nan 0.000 0.435 249 S N -0.233 115.488 115.700 0.035 0.000 2.368 249 S HA -0.186 4.286 4.470 0.003 0.000 0.225 249 S C 1.490 176.096 174.600 0.010 0.000 1.030 249 S CA 1.404 59.621 58.200 0.029 0.000 0.999 249 S CB -0.290 62.931 63.200 0.035 0.000 0.844 249 S HN 0.451 nan 8.310 nan 0.000 0.459 250 D N 1.401 121.805 120.400 0.007 0.000 2.178 250 D HA -0.014 4.628 4.640 0.003 0.000 0.201 250 D C 1.714 178.003 176.300 -0.017 0.000 0.980 250 D CA 0.656 54.653 54.000 -0.005 0.000 0.842 250 D CB -0.274 40.526 40.800 0.000 0.000 0.948 250 D HN 0.335 nan 8.370 nan 0.000 0.472 251 L N -0.517 120.699 121.223 -0.012 0.000 2.291 251 L HA 0.019 4.361 4.340 0.003 0.000 0.214 251 L C 1.508 178.356 176.870 -0.038 0.000 1.120 251 L CA 0.512 55.341 54.840 -0.019 0.000 0.799 251 L CB 0.165 42.219 42.059 -0.008 0.000 0.925 251 L HN -0.165 nan 8.230 nan 0.000 0.446 252 R N 0.718 121.192 120.500 -0.043 0.000 2.687 252 R HA 0.185 4.527 4.340 0.003 0.000 0.264 252 R C -2.238 173.991 176.300 -0.118 0.000 1.715 252 R CA -1.316 54.733 56.100 -0.084 0.000 1.633 252 R CB 0.900 31.191 30.300 -0.015 0.000 1.353 252 R HN -0.154 nan 8.270 nan 0.000 0.653 253 P HA -0.084 nan 4.420 nan 0.000 0.297 253 P C -0.681 176.545 177.300 -0.123 0.000 1.544 253 P CA 0.261 63.294 63.100 -0.112 0.000 0.798 253 P CB -0.368 31.278 31.700 -0.090 0.000 1.757 254 H N 0.913 119.985 119.070 0.002 0.000 2.819 254 H HA 0.100 4.658 4.556 0.003 0.000 0.303 254 H C -1.300 174.041 175.328 0.022 0.000 1.058 254 H CA -1.595 54.457 56.048 0.007 0.000 1.471 254 H CB 0.585 30.346 29.762 -0.001 0.000 1.480 254 H HN 0.088 nan 8.280 nan 0.000 0.517 255 P HA -0.174 nan 4.420 nan 0.000 0.216 255 P C 1.642 179.016 177.300 0.123 0.000 1.157 255 P CA 1.759 64.921 63.100 0.104 0.000 0.880 255 P CB 0.114 31.870 31.700 0.092 0.000 0.791 256 G N -0.589 108.302 108.800 0.152 0.000 2.422 256 G HA2 -0.291 3.671 3.960 0.003 0.000 0.218 256 G HA3 -0.291 3.671 3.960 0.003 0.000 0.218 256 G C 1.670 176.675 174.900 0.174 0.000 1.146 256 G CA 0.667 45.890 45.100 0.205 0.000 0.769 256 G HN 0.330 nan 8.290 nan 0.000 0.547 257 Q N 0.098 119.966 119.800 0.112 0.000 2.083 257 Q HA -0.042 4.300 4.340 0.003 0.000 0.198 257 Q C 2.461 178.497 176.000 0.061 0.000 0.969 257 Q CA 1.446 57.285 55.803 0.062 0.000 0.838 257 Q CB -0.190 28.599 28.738 0.084 0.000 0.900 257 Q HN 0.502 nan 8.270 nan 0.000 0.436 258 K N 0.243 120.687 120.400 0.074 0.000 2.063 258 K HA -0.236 4.086 4.320 0.003 0.000 0.208 258 K C 1.675 178.305 176.600 0.050 0.000 1.048 258 K CA 1.919 58.237 56.287 0.052 0.000 0.928 258 K CB -0.197 32.331 32.500 0.045 0.000 0.713 258 K HN 0.194 nan 8.250 nan 0.000 0.442 259 D N -0.094 120.350 120.400 0.073 0.000 2.097 259 D HA -0.132 4.510 4.640 0.003 0.000 0.195 259 D C 1.729 178.081 176.300 0.087 0.000 0.989 259 D CA 1.673 55.714 54.000 0.069 0.000 0.827 259 D CB -0.104 40.743 40.800 0.078 0.000 0.966 259 D HN 0.337 nan 8.370 nan 0.000 0.456 260 A N 0.560 123.474 122.820 0.158 0.000 1.883 260 A HA -0.009 4.313 4.320 0.003 0.000 0.217 260 A C 2.414 179.956 177.584 -0.070 0.000 1.186 260 A CA 2.486 54.595 52.037 0.119 0.000 0.624 260 A CB -1.241 17.766 19.000 0.012 0.000 0.822 260 A HN 0.341 nan 8.150 nan 0.000 0.444 261 A N -0.239 122.536 122.820 -0.075 0.000 1.902 261 A HA 0.131 4.453 4.320 0.003 0.000 0.217 261 A C 2.509 180.065 177.584 -0.047 0.000 1.181 261 A CA 2.239 54.215 52.037 -0.101 0.000 0.623 261 A CB -1.021 17.979 19.000 -0.001 0.000 0.818 261 A HN 1.098 nan 8.150 nan 0.000 0.443 262 A N -0.292 122.522 122.820 -0.009 0.000 1.898 262 A HA -0.140 4.182 4.320 0.003 0.000 0.216 262 A C 2.232 179.807 177.584 -0.015 0.000 1.181 262 A CA 1.552 53.592 52.037 0.004 0.000 0.620 262 A CB -0.411 18.594 19.000 0.008 0.000 0.819 262 A HN 0.547 nan 8.150 nan 0.000 0.442 263 R N -0.632 119.847 120.500 -0.035 0.000 2.115 263 R HA 0.070 4.412 4.340 0.003 0.000 0.230 263 R C 1.986 178.237 176.300 -0.083 0.000 1.111 263 R CA 1.093 57.162 56.100 -0.050 0.000 0.976 263 R CB -0.403 29.872 30.300 -0.041 0.000 0.870 263 R HN 0.490 nan 8.270 nan 0.000 0.445 264 L N 0.185 121.307 121.223 -0.168 0.000 2.027 264 L HA -0.155 4.187 4.340 0.003 0.000 0.206 264 L C 2.541 179.398 176.870 -0.021 0.000 1.074 264 L CA 1.416 56.073 54.840 -0.304 0.000 0.745 264 L CB -0.331 41.185 42.059 -0.905 0.000 0.898 264 L HN 0.140 nan 8.230 nan 0.000 0.433 265 R N -0.096 120.449 120.500 0.075 0.000 2.083 265 R HA -0.181 4.161 4.340 0.003 0.000 0.237 265 R C 2.385 178.744 176.300 0.099 0.000 1.137 265 R CA 1.461 57.665 56.100 0.172 0.000 0.951 265 R CB -0.612 29.769 30.300 0.135 0.000 0.851 265 R HN 0.370 nan 8.270 nan 0.000 0.434 266 A N 1.368 124.214 122.820 0.043 0.000 1.908 266 A HA -0.164 4.158 4.320 0.003 0.000 0.218 266 A C 2.075 179.671 177.584 0.021 0.000 1.181 266 A CA 1.177 53.227 52.037 0.021 0.000 0.627 266 A CB -0.303 18.694 19.000 -0.004 0.000 0.818 266 A HN 0.121 nan 8.150 nan 0.000 0.445 267 R N -0.242 120.268 120.500 0.016 0.000 2.081 267 R HA -0.115 4.227 4.340 0.003 0.000 0.235 267 R C 1.916 178.248 176.300 0.054 0.000 1.131 267 R CA 1.756 57.866 56.100 0.016 0.000 0.960 267 R CB -1.362 28.938 30.300 0.000 0.000 0.856 267 R HN 0.677 nan 8.270 nan 0.000 0.436 268 V N -0.674 119.303 119.914 0.106 0.000 3.577 268 V HA 0.105 4.227 4.120 0.003 0.000 0.294 268 V C 0.166 176.301 176.094 0.069 0.000 1.317 268 V CA -0.561 61.805 62.300 0.110 0.000 1.169 268 V CB -0.628 31.303 31.823 0.181 0.000 1.011 268 V HN -0.075 nan 8.190 nan 0.000 0.426 269 D N 1.407 121.838 120.400 0.053 0.000 2.458 269 D HA 0.429 5.071 4.640 0.003 0.000 0.243 269 D C 1.429 177.742 176.300 0.021 0.000 1.146 269 D CA 1.794 55.814 54.000 0.033 0.000 0.877 269 D CB 0.561 41.376 40.800 0.025 0.000 1.176 269 D HN 0.552 nan 8.370 nan 0.000 0.461 270 G N 2.434 111.242 108.800 0.013 0.000 2.176 270 G HA2 -0.259 3.703 3.960 0.003 0.000 0.253 270 G HA3 -0.259 3.703 3.960 0.003 0.000 0.253 270 G C 0.420 175.323 174.900 0.007 0.000 0.979 270 G CA 0.305 45.409 45.100 0.008 0.000 0.641 270 G HN 0.780 nan 8.290 nan 0.000 0.530 271 S N 0.081 115.787 115.700 0.010 0.000 2.545 271 S HA 0.683 5.154 4.470 0.003 0.000 0.275 271 S C 1.214 175.809 174.600 -0.008 0.000 1.299 271 S CA 0.784 58.989 58.200 0.007 0.000 1.048 271 S CB 1.342 64.553 63.200 0.018 0.000 0.938 271 S HN 1.587 nan 8.310 nan 0.000 0.496 272 A N 5.359 128.175 122.820 -0.007 0.000 2.430 272 A HA 0.329 4.651 4.320 0.003 0.000 0.243 272 A C 1.684 179.259 177.584 -0.015 0.000 1.254 272 A CA -0.320 51.708 52.037 -0.015 0.000 0.914 272 A CB 0.066 19.062 19.000 -0.007 0.000 0.998 272 A HN 0.730 nan 8.150 nan 0.000 0.515 273 R N -0.117 120.376 120.500 -0.011 0.000 2.312 273 R HA 0.117 4.459 4.340 0.003 0.000 0.205 273 R C 0.643 176.928 176.300 -0.025 0.000 0.904 273 R CA 0.763 56.857 56.100 -0.010 0.000 1.052 273 R CB -0.294 30.007 30.300 0.002 0.000 1.014 273 R HN 0.493 nan 8.270 nan 0.000 0.503 274 V N -1.750 118.139 119.914 -0.041 0.000 2.973 274 V HA 0.495 4.617 4.120 0.003 0.000 0.314 274 V C 0.406 176.443 176.094 -0.096 0.000 1.066 274 V CA -0.960 61.295 62.300 -0.076 0.000 1.021 274 V CB 2.142 33.909 31.823 -0.093 0.000 1.076 274 V HN -0.261 nan 8.190 nan 0.000 0.462 275 V N 3.749 123.594 119.914 -0.116 0.000 2.348 275 V HA 0.446 4.567 4.120 0.003 0.000 0.270 275 V C 1.054 177.050 176.094 -0.164 0.000 1.037 275 V CA -0.237 61.998 62.300 -0.109 0.000 0.872 275 V CB 0.544 32.340 31.823 -0.046 0.000 1.002 275 V HN 0.930 nan 8.190 nan 0.000 0.464 276 R N 1.543 121.890 120.500 -0.255 0.000 2.312 276 R HA 0.185 4.527 4.340 0.003 0.000 0.205 276 R C 0.077 176.258 176.300 -0.199 0.000 0.904 276 R CA -0.113 55.849 56.100 -0.231 0.000 1.052 276 R CB 0.149 30.314 30.300 -0.225 0.000 1.014 276 R HN 0.746 nan 8.270 nan 0.000 0.503 277 H N 0.011 119.056 119.070 -0.042 0.000 2.897 277 H HA 0.048 4.606 4.556 0.003 0.000 0.347 277 H C -0.237 175.069 175.328 -0.036 0.000 1.068 277 H CA -0.206 55.823 56.048 -0.033 0.000 1.426 277 H CB 0.933 30.678 29.762 -0.029 0.000 1.410 277 H HN -0.187 nan 8.280 nan 0.000 0.597 278 V N 5.919 125.894 119.914 0.101 0.000 2.368 278 V HA -0.038 4.084 4.120 0.003 0.000 0.266 278 V C 1.764 177.882 176.094 0.040 0.000 1.045 278 V CA -0.016 62.311 62.300 0.044 0.000 0.899 278 V CB -0.006 31.834 31.823 0.029 0.000 1.006 278 V HN 0.781 nan 8.190 nan 0.000 0.470 279 I N 3.253 123.837 120.570 0.024 0.000 2.315 279 I HA -0.173 3.998 4.170 0.003 0.000 0.251 279 I C 2.068 178.186 176.117 0.002 0.000 1.125 279 I CA 2.073 63.379 61.300 0.010 0.000 1.392 279 I CB -0.224 37.778 38.000 0.003 0.000 1.065 279 I HN 0.554 nan 8.210 nan 0.000 0.424 280 A N 0.968 123.791 122.820 0.005 0.000 2.216 280 A HA -0.089 4.233 4.320 0.003 0.000 0.214 280 A C 2.120 179.705 177.584 0.001 0.000 1.160 280 A CA 1.084 53.123 52.037 0.002 0.000 0.725 280 A CB -0.524 18.478 19.000 0.004 0.000 0.784 280 A HN 0.566 nan 8.150 nan 0.000 0.472 281 E N 0.005 120.207 120.200 0.003 0.000 2.208 281 E HA -0.095 4.256 4.350 0.003 0.000 0.193 281 E C 1.118 177.712 176.600 -0.010 0.000 0.988 281 E CA 0.142 56.543 56.400 0.001 0.000 0.828 281 E CB -0.190 29.517 29.700 0.011 0.000 0.763 281 E HN 0.620 nan 8.360 nan 0.000 0.478 282 R N 1.807 122.296 120.500 -0.018 0.000 2.401 282 R HA 0.082 4.424 4.340 0.003 0.000 0.299 282 R C -0.440 175.849 176.300 -0.019 0.000 1.064 282 R CA 0.011 56.095 56.100 -0.027 0.000 1.000 282 R CB 0.382 30.661 30.300 -0.036 0.000 0.973 282 R HN -0.135 nan 8.270 nan 0.000 0.438 283 R N 4.894 125.383 120.500 -0.019 0.000 2.255 283 R HA 0.295 4.637 4.340 0.003 0.000 0.326 283 R C -0.446 175.844 176.300 -0.015 0.000 0.986 283 R CA -0.545 55.547 56.100 -0.014 0.000 0.847 283 R CB 1.200 31.493 30.300 -0.012 0.000 1.111 283 R HN 0.459 nan 8.270 nan 0.000 0.452 284 L N 2.562 123.778 121.223 -0.013 0.000 2.375 284 L HA 0.323 4.665 4.340 0.003 0.000 0.271 284 L C 0.160 177.024 176.870 -0.011 0.000 1.107 284 L CA -0.352 54.481 54.840 -0.013 0.000 0.806 284 L CB 0.800 42.852 42.059 -0.011 0.000 1.146 284 L HN 0.489 nan 8.230 nan 0.000 0.447 285 D N 0.408 120.801 120.400 -0.011 0.000 2.374 285 D HA 0.306 4.948 4.640 0.003 0.000 0.239 285 D C 0.566 176.861 176.300 -0.008 0.000 0.991 285 D CA -0.428 53.567 54.000 -0.010 0.000 0.960 285 D CB 2.114 42.908 40.800 -0.010 0.000 1.284 285 D HN 0.556 nan 8.370 nan 0.000 0.512 286 A N 0.880 123.695 122.820 -0.007 0.000 1.978 286 A HA -0.095 4.227 4.320 0.003 0.000 0.220 286 A C 1.912 179.492 177.584 -0.007 0.000 1.170 286 A CA 2.120 54.153 52.037 -0.006 0.000 0.636 286 A CB -0.888 18.108 19.000 -0.005 0.000 0.810 286 A HN 0.637 nan 8.150 nan 0.000 0.448 287 G N -0.624 108.172 108.800 -0.007 0.000 2.471 287 G HA2 -0.133 3.829 3.960 0.003 0.000 0.219 287 G HA3 -0.133 3.829 3.960 0.003 0.000 0.219 287 G C 0.936 175.831 174.900 -0.009 0.000 1.125 287 G CA 1.002 46.097 45.100 -0.008 0.000 0.775 287 G HN 0.519 nan 8.290 nan 0.000 0.548 288 D N 0.474 120.868 120.400 -0.010 0.000 2.323 288 D HA -0.000 4.642 4.640 0.003 0.000 0.209 288 D C 1.038 177.332 176.300 -0.010 0.000 0.973 288 D CA 0.004 53.998 54.000 -0.011 0.000 0.874 288 D CB 0.346 41.138 40.800 -0.013 0.000 0.930 288 D HN 0.140 nan 8.370 nan 0.000 0.521 289 I N 1.542 122.107 120.570 -0.008 0.000 2.662 289 I HA 0.247 4.418 4.170 0.003 0.000 0.285 289 I C 1.417 177.530 176.117 -0.006 0.000 1.161 289 I CA 0.881 62.177 61.300 -0.007 0.000 1.415 289 I CB -0.199 37.798 38.000 -0.006 0.000 1.385 289 I HN 0.020 nan 8.210 nan 0.000 0.552 290 G N 5.667 114.463 108.800 -0.006 0.000 2.368 290 G HA2 0.117 4.078 3.960 0.003 0.000 0.269 290 G HA3 0.117 4.078 3.960 0.003 0.000 0.269 290 G C -1.095 173.802 174.900 -0.006 0.000 1.291 290 G CA -0.681 44.416 45.100 -0.006 0.000 0.903 290 G HN 0.391 nan 8.290 nan 0.000 0.483 291 T N 2.007 116.557 114.554 -0.007 0.000 2.749 291 T HA 0.570 4.922 4.350 0.003 0.000 0.287 291 T C -0.135 174.560 174.700 -0.008 0.000 0.970 291 T CA -0.230 61.866 62.100 -0.007 0.000 0.980 291 T CB 1.355 70.219 68.868 -0.006 0.000 0.924 291 T HN 0.450 nan 8.240 nan 0.000 0.456 292 E N 3.106 123.301 120.200 -0.009 0.000 2.280 292 E HA 0.210 4.562 4.350 0.003 0.000 0.264 292 E C -1.272 175.322 176.600 -0.009 0.000 1.064 292 E CA -2.009 54.385 56.400 -0.010 0.000 0.900 292 E CB 0.652 30.345 29.700 -0.011 0.000 1.123 292 E HN 0.323 nan 8.360 nan 0.000 0.418 293 P HA -0.153 nan 4.420 nan 0.000 0.215 293 P C -0.560 176.734 177.300 -0.010 0.000 1.157 293 P CA 1.454 64.549 63.100 -0.009 0.000 0.874 293 P CB 0.287 31.981 31.700 -0.009 0.000 0.790 294 E N -1.439 118.754 120.200 -0.010 0.000 2.343 294 E HA 0.608 4.960 4.350 0.003 0.000 0.270 294 E C -0.919 175.676 176.600 -0.009 0.000 0.895 294 E CA -1.178 55.216 56.400 -0.010 0.000 0.767 294 E CB 2.000 31.694 29.700 -0.010 0.000 1.248 294 E HN -0.080 nan 8.360 nan 0.000 0.440 295 A N 0.634 123.449 122.820 -0.008 0.000 2.346 295 A HA 0.428 4.750 4.320 0.003 0.000 0.252 295 A C 1.166 178.747 177.584 -0.004 0.000 1.089 295 A CA 0.309 52.343 52.037 -0.005 0.000 0.797 295 A CB 0.088 19.086 19.000 -0.002 0.000 1.047 295 A HN 0.791 nan 8.150 nan 0.000 0.494 296 G N -0.739 108.060 108.800 -0.001 0.000 2.848 296 G HA2 0.280 4.241 3.960 0.003 0.000 0.208 296 G HA3 0.280 4.241 3.960 0.003 0.000 0.208 296 G C 0.464 175.362 174.900 -0.002 0.000 1.152 296 G CA 0.357 45.455 45.100 -0.003 0.000 0.789 296 G HN 0.714 nan 8.290 nan 0.000 0.531 297 Q N 0.019 119.823 119.800 0.006 0.000 2.423 297 Q HA 0.326 4.668 4.340 0.003 0.000 0.278 297 Q C -1.460 174.552 176.000 0.019 0.000 1.097 297 Q CA -1.035 54.776 55.803 0.012 0.000 0.809 297 Q CB 2.027 30.788 28.738 0.040 0.000 1.391 297 Q HN 0.023 nan 8.270 nan 0.000 0.428 298 D N 0.583 120.994 120.400 0.020 0.000 2.383 298 D HA 0.399 5.041 4.640 0.003 0.000 0.248 298 D C -0.228 176.128 176.300 0.092 0.000 1.170 298 D CA -0.161 53.858 54.000 0.031 0.000 0.977 298 D CB 0.895 41.700 40.800 0.009 0.000 1.120 298 D HN 0.620 nan 8.370 nan 0.000 0.481 299 A N 0.405 123.268 122.820 0.073 0.000 2.386 299 A HA 0.020 4.341 4.320 0.003 0.000 0.246 299 A C 0.633 178.360 177.584 0.238 0.000 1.089 299 A CA -0.099 51.983 52.037 0.075 0.000 0.790 299 A CB -0.081 18.924 19.000 0.009 0.000 1.042 299 A HN 0.538 nan 8.150 nan 0.000 0.497 300 Y N 0.923 121.240 120.300 0.029 0.000 2.256 300 Y HA -0.199 4.354 4.550 0.005 0.000 0.288 300 Y C 2.916 178.850 175.900 0.056 0.000 1.155 300 Y CA 1.592 59.715 58.100 0.039 0.000 1.203 300 Y CB -1.365 37.109 38.460 0.024 0.000 0.980 300 Y HN 0.748 nan 8.280 nan 0.000 0.530 301 S N -1.074 114.752 115.700 0.210 0.000 2.528 301 S HA -0.103 4.368 4.470 0.003 0.000 0.244 301 S C 1.724 176.427 174.600 0.172 0.000 0.982 301 S CA 1.111 59.401 58.200 0.149 0.000 0.953 301 S CB -0.535 62.727 63.200 0.104 0.000 0.754 301 S HN 0.472 nan 8.310 nan 0.000 0.529 302 L N -0.558 120.788 121.223 0.205 0.000 2.638 302 L HA 0.369 4.711 4.340 0.003 0.000 0.195 302 L C 2.655 179.737 176.870 0.354 0.000 1.065 302 L CA 0.169 55.178 54.840 0.281 0.000 0.859 302 L CB -0.183 41.980 42.059 0.174 0.000 1.269 302 L HN 0.159 nan 8.230 nan 0.000 0.484 303 R N 0.011 120.644 120.500 0.221 0.000 2.105 303 R HA -0.140 4.201 4.340 0.003 0.000 0.239 303 R C 1.422 177.827 176.300 0.174 0.000 1.135 303 R CA 1.837 58.043 56.100 0.176 0.000 0.967 303 R CB -0.194 30.180 30.300 0.123 0.000 0.861 303 R HN 0.399 nan 8.270 nan 0.000 0.442 304 C N 0.202 119.566 119.300 0.107 0.000 2.688 304 C HA 0.457 4.919 4.460 0.003 0.000 0.297 304 C C 2.014 177.016 174.990 0.020 0.000 1.308 304 C CA -0.427 58.591 59.018 -0.001 0.000 1.726 304 C CB -0.346 27.296 27.740 -0.163 0.000 1.982 304 C HN 0.620 nan 8.230 nan 0.000 0.604 305 A N 2.595 125.469 122.820 0.090 0.000 1.902 305 A HA -0.077 4.244 4.320 0.003 0.000 0.217 305 A C -0.021 177.475 177.584 -0.148 0.000 1.181 305 A CA 1.724 53.745 52.037 -0.026 0.000 0.623 305 A CB -1.451 17.534 19.000 -0.025 0.000 0.818 305 A HN 0.416 nan 8.150 nan 0.000 0.443 306 P HA -0.142 nan 4.420 nan 0.000 0.216 306 P C 1.253 178.477 177.300 -0.127 0.000 1.153 306 P CA 1.422 64.424 63.100 -0.163 0.000 0.848 306 P CB -0.032 31.616 31.700 -0.087 0.000 0.787 307 Q N -0.982 118.766 119.800 -0.088 0.000 2.083 307 Q HA -0.071 4.271 4.340 0.003 0.000 0.198 307 Q C 2.121 178.037 176.000 -0.140 0.000 0.969 307 Q CA 1.214 56.962 55.803 -0.092 0.000 0.838 307 Q CB -1.339 27.354 28.738 -0.075 0.000 0.900 307 Q HN 0.095 nan 8.270 nan 0.000 0.436 308 V N 0.217 120.045 119.914 -0.144 0.000 2.302 308 V HA -0.177 3.944 4.120 0.003 0.000 0.243 308 V C 2.076 178.015 176.094 -0.258 0.000 1.036 308 V CA 1.325 63.528 62.300 -0.162 0.000 1.020 308 V CB -0.552 31.204 31.823 -0.111 0.000 0.657 308 V HN 0.296 nan 8.190 nan 0.000 0.453 309 L N 0.579 121.603 121.223 -0.333 0.000 2.042 309 L HA -0.108 4.234 4.340 0.003 0.000 0.210 309 L C 2.666 179.014 176.870 -0.870 0.000 1.076 309 L CA 1.811 56.266 54.840 -0.642 0.000 0.749 309 L CB -1.209 40.467 42.059 -0.639 0.000 0.893 309 L HN 0.486 nan 8.230 nan 0.000 0.432 310 G N -0.368 108.146 108.800 -0.477 0.000 2.440 310 G HA2 -0.275 3.687 3.960 0.003 0.000 0.218 310 G HA3 -0.275 3.687 3.960 0.003 0.000 0.218 310 G C 1.769 176.570 174.900 -0.164 0.000 1.154 310 G CA 0.866 45.819 45.100 -0.245 0.000 0.767 310 G HN 0.478 nan 8.290 nan 0.000 0.552 311 A N 0.808 123.507 122.820 -0.201 0.000 1.902 311 A HA 0.162 4.484 4.320 0.003 0.000 0.217 311 A C 2.707 180.225 177.584 -0.110 0.000 1.181 311 A CA 2.077 54.014 52.037 -0.168 0.000 0.623 311 A CB -1.017 17.874 19.000 -0.181 0.000 0.818 311 A HN 0.541 nan 8.150 nan 0.000 0.443 312 G N -1.247 107.450 108.800 -0.172 0.000 2.422 312 G HA2 -0.115 3.847 3.960 0.003 0.000 0.218 312 G HA3 -0.115 3.847 3.960 0.003 0.000 0.218 312 G C 1.274 176.243 174.900 0.115 0.000 1.146 312 G CA 1.032 46.072 45.100 -0.100 0.000 0.769 312 G HN 0.384 nan 8.290 nan 0.000 0.547 313 F N 1.623 121.574 119.950 0.002 0.000 2.206 313 F HA 0.070 4.599 4.527 0.004 0.000 0.298 313 F C 2.270 178.092 175.800 0.037 0.000 1.090 313 F CA 0.294 58.307 58.000 0.023 0.000 1.323 313 F CB -0.551 38.457 39.000 0.013 0.000 1.028 313 F HN 0.109 nan 8.300 nan 0.000 0.492 314 D N -0.591 119.934 120.400 0.208 0.000 2.178 314 D HA -0.097 4.544 4.640 0.003 0.000 0.202 314 D C 2.197 178.604 176.300 0.179 0.000 0.974 314 D CA 1.380 55.470 54.000 0.151 0.000 0.841 314 D CB -0.397 40.442 40.800 0.066 0.000 0.953 314 D HN 0.196 nan 8.370 nan 0.000 0.478 315 T N 1.314 115.964 114.554 0.159 0.000 2.737 315 T HA -0.125 4.227 4.350 0.003 0.000 0.265 315 T C 1.924 176.786 174.700 0.271 0.000 1.038 315 T CA 0.435 62.667 62.100 0.220 0.000 1.144 315 T CB -0.272 68.676 68.868 0.134 0.000 0.866 315 T HN 0.041 nan 8.240 nan 0.000 0.434 316 L N 1.525 122.866 121.223 0.197 0.000 2.083 316 L HA 0.074 4.416 4.340 0.003 0.000 0.209 316 L C 2.560 179.544 176.870 0.190 0.000 1.083 316 L CA 1.747 56.678 54.840 0.152 0.000 0.752 316 L CB -1.021 41.113 42.059 0.125 0.000 0.899 316 L HN 0.224 nan 8.230 nan 0.000 0.433 317 A N -1.230 121.706 122.820 0.193 0.000 1.902 317 A HA -0.273 4.048 4.320 0.003 0.000 0.217 317 A C 2.121 179.841 177.584 0.228 0.000 1.181 317 A CA 1.704 53.844 52.037 0.172 0.000 0.623 317 A CB -1.414 17.678 19.000 0.154 0.000 0.818 317 A HN 0.740 nan 8.150 nan 0.000 0.443 318 W N 0.396 121.754 121.300 0.095 0.000 2.379 318 W HA -0.182 4.479 4.660 0.002 0.000 0.307 318 W C 2.251 178.834 176.519 0.106 0.000 1.200 318 W CA 1.908 59.304 57.345 0.085 0.000 1.297 318 W CB -0.755 28.748 29.460 0.072 0.000 1.140 318 W HN 0.626 nan 8.180 nan 0.000 0.507 319 H N 0.200 119.203 119.070 -0.112 0.000 2.319 319 H HA -0.174 4.384 4.556 0.003 0.000 0.297 319 H C 1.358 176.567 175.328 -0.199 0.000 1.097 319 H CA 2.431 58.307 56.048 -0.288 0.000 1.285 319 H CB -0.565 29.142 29.762 -0.092 0.000 1.368 319 H HN 0.064 nan 8.280 nan 0.000 0.495 320 D N 0.193 120.655 120.400 0.104 0.000 2.178 320 D HA -0.070 4.572 4.640 0.003 0.000 0.202 320 D C 2.612 178.884 176.300 -0.046 0.000 0.974 320 D CA 0.586 54.616 54.000 0.050 0.000 0.841 320 D CB -0.187 40.678 40.800 0.109 0.000 0.953 320 D HN 0.388 nan 8.370 nan 0.000 0.478 321 R N 0.255 120.733 120.500 -0.036 0.000 2.073 321 R HA -0.054 4.288 4.340 0.003 0.000 0.234 321 R C 2.336 178.579 176.300 -0.096 0.000 1.134 321 R CA 0.761 56.849 56.100 -0.020 0.000 0.952 321 R CB -0.521 29.814 30.300 0.058 0.000 0.850 321 R HN 0.093 nan 8.270 nan 0.000 0.433 322 V N 1.514 121.289 119.914 -0.232 0.000 2.343 322 V HA -0.230 3.891 4.120 0.003 0.000 0.247 322 V C 2.247 178.196 176.094 -0.242 0.000 1.051 322 V CA 1.475 63.618 62.300 -0.261 0.000 1.036 322 V CB -0.448 31.097 31.823 -0.462 0.000 0.654 322 V HN 0.233 nan 8.190 nan 0.000 0.451 323 L N 0.025 121.062 121.223 -0.310 0.000 2.083 323 L HA -0.147 4.195 4.340 0.003 0.000 0.209 323 L C 2.459 179.242 176.870 -0.144 0.000 1.083 323 L CA 2.390 57.076 54.840 -0.256 0.000 0.752 323 L CB -0.998 40.869 42.059 -0.320 0.000 0.899 323 L HN 0.350 nan 8.230 nan 0.000 0.433 324 T N -0.193 114.302 114.554 -0.099 0.000 2.788 324 T HA -0.165 4.186 4.350 0.003 0.000 0.268 324 T C 1.972 176.646 174.700 -0.043 0.000 1.044 324 T CA 1.976 64.046 62.100 -0.050 0.000 1.139 324 T CB -0.291 68.591 68.868 0.024 0.000 0.867 324 T HN 0.320 nan 8.240 nan 0.000 0.454 325 I N 0.606 121.144 120.570 -0.053 0.000 2.202 325 I HA -0.130 4.042 4.170 0.003 0.000 0.242 325 I C 2.730 178.790 176.117 -0.095 0.000 1.091 325 I CA 1.242 62.507 61.300 -0.057 0.000 1.368 325 I CB -0.285 37.662 38.000 -0.087 0.000 1.058 325 I HN 0.206 nan 8.210 nan 0.000 0.410 326 E N 1.339 121.462 120.200 -0.128 0.000 2.051 326 E HA -0.261 4.091 4.350 0.003 0.000 0.192 326 E C 2.047 178.590 176.600 -0.094 0.000 0.991 326 E CA 1.315 57.641 56.400 -0.125 0.000 0.799 326 E CB -0.288 29.335 29.700 -0.129 0.000 0.748 326 E HN 0.295 nan 8.360 nan 0.000 0.449 327 L N 1.087 122.253 121.223 -0.095 0.000 2.042 327 L HA -0.138 4.204 4.340 0.003 0.000 0.210 327 L C 1.309 178.124 176.870 -0.091 0.000 1.076 327 L CA 1.905 56.691 54.840 -0.090 0.000 0.749 327 L CB -0.511 41.486 42.059 -0.102 0.000 0.893 327 L HN 0.168 nan 8.230 nan 0.000 0.432 328 N N -0.097 118.545 118.700 -0.096 0.000 2.383 328 N HA 0.161 4.902 4.740 0.003 0.000 0.192 328 N C 0.362 175.848 175.510 -0.039 0.000 1.141 328 N CA 0.634 53.639 53.050 -0.074 0.000 0.851 328 N CB 0.146 38.597 38.487 -0.061 0.000 0.976 328 N HN 0.448 nan 8.380 nan 0.000 0.465 329 A N 0.228 123.017 122.820 -0.052 0.000 2.248 329 A HA 0.579 4.900 4.320 0.003 0.000 0.316 329 A C -0.012 177.546 177.584 -0.044 0.000 1.101 329 A CA -0.400 51.607 52.037 -0.051 0.000 0.875 329 A CB 1.015 19.969 19.000 -0.076 0.000 1.207 329 A HN -0.040 nan 8.150 nan 0.000 0.504 330 V N 1.238 121.126 119.914 -0.043 0.000 2.311 330 V HA 0.283 4.404 4.120 0.003 0.000 0.275 330 V C 0.882 176.949 176.094 -0.044 0.000 1.022 330 V CA 0.375 62.654 62.300 -0.034 0.000 0.830 330 V CB 0.587 32.392 31.823 -0.030 0.000 1.012 330 V HN 1.027 nan 8.190 nan 0.000 0.452 331 T N -0.672 113.865 114.554 -0.028 0.000 3.206 331 T HA 0.180 4.532 4.350 0.003 0.000 0.253 331 T C 0.187 174.903 174.700 0.026 0.000 1.042 331 T CA -0.504 61.585 62.100 -0.018 0.000 0.931 331 T CB -0.374 68.494 68.868 0.000 0.000 1.029 331 T HN 0.533 nan 8.240 nan 0.000 0.564 332 D N 2.511 122.916 120.400 0.009 0.000 2.357 332 D HA 0.495 5.137 4.640 0.003 0.000 0.242 332 D C -0.087 176.221 176.300 0.012 0.000 1.153 332 D CA 0.107 54.123 54.000 0.027 0.000 0.918 332 D CB 0.502 41.301 40.800 -0.003 0.000 1.181 332 D HN 0.316 nan 8.370 nan 0.000 0.435 333 N N 0.248 118.979 118.700 0.052 0.000 2.537 333 N HA 0.283 5.025 4.740 0.003 0.000 0.281 333 N C -2.908 172.600 175.510 -0.003 0.000 1.097 333 N CA -1.334 51.718 53.050 0.003 0.000 0.964 333 N CB 1.876 40.489 38.487 0.211 0.000 1.588 333 N HN 0.024 nan 8.380 nan 0.000 0.511 334 P HA 0.274 nan 4.420 nan 0.000 0.279 334 P C -1.098 175.875 177.300 -0.546 0.000 1.282 334 P CA -0.463 62.353 63.100 -0.473 0.000 0.788 334 P CB 1.254 32.488 31.700 -0.776 0.000 1.139 335 V N -0.324 119.183 119.914 -0.679 0.000 2.962 335 V HA 0.546 4.668 4.120 0.003 0.000 0.313 335 V C -1.442 174.200 176.094 -0.754 0.000 1.099 335 V CA -0.863 61.084 62.300 -0.589 0.000 0.971 335 V CB 1.571 33.238 31.823 -0.259 0.000 1.028 335 V HN 0.257 nan 8.190 nan 0.000 0.430 336 F N 5.108 125.041 119.950 -0.028 0.000 2.366 336 F HA 0.533 5.062 4.527 0.003 0.000 0.366 336 F C -2.202 173.592 175.800 -0.010 0.000 1.096 336 F CA -2.636 55.355 58.000 -0.015 0.000 1.060 336 F CB 1.124 40.122 39.000 -0.002 0.000 1.282 336 F HN 0.289 nan 8.300 nan 0.000 0.450 337 P HA -0.008 nan 4.420 nan 0.000 0.256 337 P C -1.986 175.359 177.300 0.074 0.000 1.173 337 P CA -0.590 62.546 63.100 0.060 0.000 0.768 337 P CB 0.434 32.157 31.700 0.038 0.000 0.758 338 P HA -0.192 nan 4.420 nan 0.000 0.218 338 P C 0.842 178.163 177.300 0.035 0.000 1.148 338 P CA 1.394 64.521 63.100 0.046 0.000 0.822 338 P CB -0.125 31.595 31.700 0.032 0.000 0.784 339 D N -1.683 118.735 120.400 0.029 0.000 2.348 339 D HA 0.011 4.652 4.640 0.003 0.000 0.216 339 D C 1.438 177.754 176.300 0.027 0.000 0.970 339 D CA 0.958 54.972 54.000 0.023 0.000 0.889 339 D CB -1.242 39.568 40.800 0.017 0.000 0.912 339 D HN 0.192 nan 8.370 nan 0.000 0.524 340 G N 0.007 108.830 108.800 0.038 0.000 2.155 340 G HA2 -0.384 3.578 3.960 0.003 0.000 0.257 340 G HA3 -0.384 3.578 3.960 0.003 0.000 0.257 340 G C 1.258 176.181 174.900 0.039 0.000 0.983 340 G CA 1.130 46.255 45.100 0.042 0.000 0.676 340 G HN 0.635 nan 8.290 nan 0.000 0.528 341 S N -1.326 114.394 115.700 0.033 0.000 2.359 341 S HA 0.128 4.599 4.470 0.003 0.000 0.223 341 S C 1.270 175.891 174.600 0.035 0.000 1.039 341 S CA 2.046 60.263 58.200 0.028 0.000 1.042 341 S CB -0.564 62.648 63.200 0.021 0.000 0.915 341 S HN 2.028 nan 8.310 nan 0.000 0.439 342 V N -3.214 116.726 119.914 0.043 0.000 3.040 342 V HA 0.568 4.689 4.120 0.003 0.000 0.312 342 V C -2.458 173.684 176.094 0.081 0.000 1.115 342 V CA -2.209 60.124 62.300 0.054 0.000 0.998 342 V CB 1.244 33.095 31.823 0.046 0.000 1.042 342 V HN -0.092 nan 8.190 nan 0.000 0.433 343 P HA 0.191 nan 4.420 nan 0.000 0.215 343 P C 0.282 177.719 177.300 0.230 0.000 1.153 343 P CA 2.157 65.350 63.100 0.154 0.000 0.853 343 P CB 0.176 31.964 31.700 0.147 0.000 0.788 344 A N -1.979 120.927 122.820 0.142 0.000 2.608 344 A HA 0.648 4.969 4.320 0.003 0.000 0.292 344 A C -1.873 175.679 177.584 -0.054 0.000 1.066 344 A CA -0.544 51.492 52.037 -0.002 0.000 0.676 344 A CB 0.507 19.486 19.000 -0.035 0.000 1.277 344 A HN -0.055 nan 8.150 nan 0.000 0.413 345 L N 1.137 122.232 121.223 -0.214 0.000 2.365 345 L HA 0.588 4.930 4.340 0.003 0.000 0.273 345 L C -1.090 175.607 176.870 -0.289 0.000 1.000 345 L CA -0.654 54.105 54.840 -0.135 0.000 0.819 345 L CB 2.167 44.156 42.059 -0.117 0.000 1.284 345 L HN 0.837 nan 8.230 nan 0.000 0.418 346 H N 1.324 120.333 119.070 -0.102 0.000 2.539 346 H HA 0.735 5.293 4.556 0.003 0.000 0.332 346 H C 0.164 175.435 175.328 -0.095 0.000 1.031 346 H CA -0.156 55.833 56.048 -0.099 0.000 1.206 346 H CB 1.918 31.625 29.762 -0.091 0.000 1.446 346 H HN 0.746 nan 8.280 nan 0.000 0.496 347 G N 0.759 109.537 108.800 -0.036 0.000 2.793 347 G HA2 0.450 4.412 3.960 0.003 0.000 0.248 347 G HA3 0.450 4.412 3.960 0.003 0.000 0.248 347 G C -0.264 174.505 174.900 -0.218 0.000 1.198 347 G CA -0.317 44.724 45.100 -0.098 0.000 0.865 347 G HN 0.642 nan 8.290 nan 0.000 0.534 348 G N 0.043 108.592 108.800 -0.419 0.000 4.716 348 G HA2 0.290 4.252 3.960 0.003 0.000 0.282 348 G HA3 0.290 4.252 3.960 0.003 0.000 0.282 348 G C 0.233 174.533 174.900 -1.000 0.000 1.173 348 G CA -0.161 44.323 45.100 -1.027 0.000 0.913 348 G HN 0.263 nan 8.290 nan 0.000 0.566 349 N N 0.878 119.212 118.700 -0.610 0.000 2.609 349 N HA -0.043 4.699 4.740 0.003 0.000 0.190 349 N C 1.488 176.833 175.510 -0.274 0.000 1.157 349 N CA 0.322 53.163 53.050 -0.349 0.000 0.918 349 N CB -0.149 38.223 38.487 -0.192 0.000 0.978 349 N HN 0.635 nan 8.380 nan 0.000 0.448 350 F N -1.183 118.743 119.950 -0.041 0.000 2.789 350 F HA 0.321 4.850 4.527 0.003 0.000 0.300 350 F C 0.853 176.645 175.800 -0.014 0.000 1.132 350 F CA -0.765 57.217 58.000 -0.031 0.000 1.404 350 F CB -0.713 38.266 39.000 -0.035 0.000 1.114 350 F HN -0.163 nan 8.300 nan 0.000 0.584 351 M N 2.789 122.342 119.600 -0.078 0.000 2.429 351 M HA 0.341 4.823 4.480 0.003 0.000 0.334 351 M C 0.973 177.309 176.300 0.061 0.000 1.560 351 M CA -0.468 54.870 55.300 0.063 0.000 1.291 351 M CB 0.078 32.636 32.600 -0.070 0.000 1.754 351 M HN 0.236 nan 8.290 nan 0.000 0.456 352 G N 3.446 112.303 108.800 0.095 0.000 3.452 352 G HA2 0.021 3.983 3.960 0.003 0.000 0.258 352 G HA3 0.021 3.983 3.960 0.003 0.000 0.258 352 G C 0.695 175.631 174.900 0.060 0.000 1.305 352 G CA -0.190 44.953 45.100 0.071 0.000 1.514 352 G HN 0.813 nan 8.290 nan 0.000 0.593 353 Q N -0.025 119.810 119.800 0.058 0.000 2.167 353 Q HA -0.093 4.249 4.340 0.003 0.000 0.202 353 Q C 1.937 177.912 176.000 -0.042 0.000 0.970 353 Q CA 1.434 57.240 55.803 0.005 0.000 0.855 353 Q CB -0.112 28.609 28.738 -0.028 0.000 0.911 353 Q HN 0.720 nan 8.270 nan 0.000 0.438 354 H N -1.723 117.322 119.070 -0.041 0.000 2.321 354 H HA -0.066 4.492 4.556 0.003 0.000 0.300 354 H C 1.799 177.045 175.328 -0.138 0.000 1.087 354 H CA 1.773 57.770 56.048 -0.084 0.000 1.319 354 H CB -0.060 29.640 29.762 -0.104 0.000 1.379 354 H HN 0.067 nan 8.280 nan 0.000 0.501 355 V N 0.529 120.446 119.914 0.005 0.000 2.515 355 V HA -0.213 3.909 4.120 0.003 0.000 0.250 355 V C 2.460 178.536 176.094 -0.029 0.000 1.058 355 V CA 1.338 63.601 62.300 -0.062 0.000 1.064 355 V CB -0.901 30.898 31.823 -0.039 0.000 0.675 355 V HN 0.566 nan 8.190 nan 0.000 0.461 356 A N 0.177 122.996 122.820 -0.003 0.000 1.845 356 A HA -0.160 4.162 4.320 0.003 0.000 0.215 356 A C 2.193 179.788 177.584 0.018 0.000 1.195 356 A CA 1.831 53.877 52.037 0.016 0.000 0.616 356 A CB -0.562 18.450 19.000 0.020 0.000 0.832 356 A HN 0.474 nan 8.150 nan 0.000 0.443 357 L N -0.075 121.150 121.223 0.002 0.000 2.046 357 L HA -0.169 4.173 4.340 0.003 0.000 0.208 357 L C 3.013 179.929 176.870 0.077 0.000 1.077 357 L CA 1.875 56.748 54.840 0.054 0.000 0.747 357 L CB -1.031 41.075 42.059 0.078 0.000 0.896 357 L HN 0.683 nan 8.230 nan 0.000 0.432 358 T N -4.502 109.992 114.554 -0.101 0.000 2.857 358 T HA -0.104 4.248 4.350 0.003 0.000 0.266 358 T C 2.042 176.809 174.700 0.112 0.000 1.048 358 T CA 1.277 63.261 62.100 -0.193 0.000 1.139 358 T CB -0.303 68.227 68.868 -0.563 0.000 0.874 358 T HN 0.131 nan 8.240 nan 0.000 0.455 359 S N 1.689 117.453 115.700 0.105 0.000 2.368 359 S HA -0.113 4.359 4.470 0.003 0.000 0.225 359 S C 1.868 176.530 174.600 0.104 0.000 1.030 359 S CA 1.336 59.626 58.200 0.150 0.000 0.999 359 S CB -0.587 62.676 63.200 0.104 0.000 0.844 359 S HN 0.529 nan 8.310 nan 0.000 0.459 360 D N 1.539 121.993 120.400 0.090 0.000 2.117 360 D HA 0.010 4.652 4.640 0.003 0.000 0.197 360 D C 2.115 178.469 176.300 0.090 0.000 0.987 360 D CA 1.185 55.231 54.000 0.078 0.000 0.829 360 D CB -0.429 40.412 40.800 0.068 0.000 0.961 360 D HN 0.379 nan 8.370 nan 0.000 0.460 361 A N 0.590 123.499 122.820 0.148 0.000 1.930 361 A HA -0.120 4.202 4.320 0.003 0.000 0.217 361 A C 2.132 179.791 177.584 0.125 0.000 1.175 361 A CA 0.897 53.043 52.037 0.182 0.000 0.627 361 A CB -0.598 18.642 19.000 0.400 0.000 0.815 361 A HN 0.246 nan 8.150 nan 0.000 0.443 362 L N -0.363 120.928 121.223 0.112 0.000 2.109 362 L HA 0.050 4.391 4.340 0.003 0.000 0.207 362 L C 2.605 179.462 176.870 -0.022 0.000 1.086 362 L CA 1.936 56.788 54.840 0.021 0.000 0.760 362 L CB -0.749 41.255 42.059 -0.091 0.000 0.910 362 L HN 0.322 nan 8.230 nan 0.000 0.437 363 A N -1.433 121.388 122.820 0.003 0.000 1.908 363 A HA -0.207 4.115 4.320 0.003 0.000 0.218 363 A C 2.258 179.816 177.584 -0.043 0.000 1.181 363 A CA 2.316 54.345 52.037 -0.013 0.000 0.627 363 A CB -1.179 17.832 19.000 0.017 0.000 0.818 363 A HN 0.500 nan 8.150 nan 0.000 0.445 364 T N 0.184 114.723 114.554 -0.026 0.000 2.777 364 T HA 0.012 4.364 4.350 0.003 0.000 0.266 364 T C 2.247 176.889 174.700 -0.096 0.000 1.040 364 T CA 1.519 63.591 62.100 -0.046 0.000 1.141 364 T CB -0.448 68.408 68.868 -0.019 0.000 0.868 364 T HN 0.601 nan 8.240 nan 0.000 0.444 365 A N 1.010 123.774 122.820 -0.093 0.000 1.902 365 A HA -0.063 4.259 4.320 0.003 0.000 0.217 365 A C 2.582 179.991 177.584 -0.293 0.000 1.181 365 A CA 1.380 53.328 52.037 -0.148 0.000 0.623 365 A CB -1.071 17.877 19.000 -0.088 0.000 0.818 365 A HN 0.349 nan 8.150 nan 0.000 0.443 366 V N -0.222 119.506 119.914 -0.311 0.000 2.343 366 V HA -0.240 3.882 4.120 0.003 0.000 0.247 366 V C 2.752 178.515 176.094 -0.552 0.000 1.051 366 V CA 2.508 64.473 62.300 -0.557 0.000 1.036 366 V CB -1.230 30.428 31.823 -0.275 0.000 0.654 366 V HN 0.623 nan 8.190 nan 0.000 0.451 367 T N -0.237 114.144 114.554 -0.289 0.000 2.788 367 T HA -0.155 4.197 4.350 0.003 0.000 0.268 367 T C 1.927 176.492 174.700 -0.225 0.000 1.044 367 T CA 1.549 63.523 62.100 -0.211 0.000 1.139 367 T CB -0.193 68.609 68.868 -0.110 0.000 0.867 367 T HN 0.282 nan 8.240 nan 0.000 0.454 368 V N 1.114 120.892 119.914 -0.227 0.000 2.307 368 V HA -0.091 4.030 4.120 0.003 0.000 0.245 368 V C 2.375 178.327 176.094 -0.237 0.000 1.045 368 V CA 1.325 63.513 62.300 -0.188 0.000 1.024 368 V CB -0.532 31.195 31.823 -0.160 0.000 0.651 368 V HN 0.322 nan 8.190 nan 0.000 0.449 369 L N 0.237 121.223 121.223 -0.395 0.000 2.141 369 L HA -0.021 4.321 4.340 0.003 0.000 0.209 369 L C 2.506 179.168 176.870 -0.348 0.000 1.094 369 L CA 1.961 56.560 54.840 -0.402 0.000 0.763 369 L CB -1.094 40.608 42.059 -0.595 0.000 0.908 369 L HN 0.283 nan 8.230 nan 0.000 0.437 370 A N -0.586 121.902 122.820 -0.553 0.000 1.930 370 A HA -0.033 4.289 4.320 0.003 0.000 0.217 370 A C 2.429 179.996 177.584 -0.029 0.000 1.175 370 A CA 1.392 53.306 52.037 -0.205 0.000 0.627 370 A CB -1.214 17.679 19.000 -0.178 0.000 0.815 370 A HN 0.408 nan 8.150 nan 0.000 0.443 371 G N -0.010 108.741 108.800 -0.081 0.000 2.422 371 G HA2 -0.159 3.803 3.960 0.003 0.000 0.218 371 G HA3 -0.159 3.803 3.960 0.003 0.000 0.218 371 G C 1.483 176.386 174.900 0.005 0.000 1.146 371 G CA 1.247 46.331 45.100 -0.028 0.000 0.769 371 G HN 0.504 nan 8.290 nan 0.000 0.547 372 L N 1.398 122.620 121.223 -0.002 0.000 1.994 372 L HA 0.163 4.505 4.340 0.003 0.000 0.208 372 L C 3.046 179.960 176.870 0.073 0.000 1.071 372 L CA 2.319 57.179 54.840 0.033 0.000 0.745 372 L CB -0.855 41.216 42.059 0.020 0.000 0.892 372 L HN 0.215 nan 8.230 nan 0.000 0.431 373 A N -0.812 122.078 122.820 0.117 0.000 1.908 373 A HA -0.247 4.075 4.320 0.003 0.000 0.218 373 A C 2.331 179.973 177.584 0.097 0.000 1.181 373 A CA 1.817 53.939 52.037 0.143 0.000 0.627 373 A CB -0.814 18.332 19.000 0.244 0.000 0.818 373 A HN 0.612 nan 8.150 nan 0.000 0.445 374 E N -0.077 120.174 120.200 0.085 0.000 2.077 374 E HA -0.199 4.153 4.350 0.003 0.000 0.193 374 E C 2.075 178.707 176.600 0.053 0.000 0.989 374 E CA 0.907 57.346 56.400 0.064 0.000 0.800 374 E CB -0.226 29.507 29.700 0.054 0.000 0.746 374 E HN 0.379 nan 8.360 nan 0.000 0.452 375 R N 0.352 120.882 120.500 0.049 0.000 2.148 375 R HA -0.038 4.304 4.340 0.003 0.000 0.223 375 R C 2.360 178.687 176.300 0.045 0.000 1.088 375 R CA 0.816 56.941 56.100 0.043 0.000 0.985 375 R CB -0.374 29.949 30.300 0.040 0.000 0.880 375 R HN 0.401 nan 8.270 nan 0.000 0.451 376 Q N -0.043 119.790 119.800 0.054 0.000 2.119 376 Q HA -0.023 4.319 4.340 0.003 0.000 0.201 376 Q C 2.145 178.166 176.000 0.034 0.000 0.972 376 Q CA 1.039 56.874 55.803 0.053 0.000 0.847 376 Q CB -0.035 28.744 28.738 0.069 0.000 0.903 376 Q HN 0.311 nan 8.270 nan 0.000 0.433 377 I N 0.505 121.095 120.570 0.034 0.000 2.202 377 I HA -0.242 3.930 4.170 0.003 0.000 0.242 377 I C 2.413 178.550 176.117 0.034 0.000 1.091 377 I CA 0.881 62.193 61.300 0.021 0.000 1.368 377 I CB -0.410 37.607 38.000 0.028 0.000 1.058 377 I HN 0.142 nan 8.210 nan 0.000 0.410 378 A N 0.834 123.681 122.820 0.045 0.000 1.940 378 A HA -0.256 4.066 4.320 0.003 0.000 0.219 378 A C 2.439 180.034 177.584 0.017 0.000 1.176 378 A CA 1.968 54.035 52.037 0.049 0.000 0.631 378 A CB -0.630 18.398 19.000 0.047 0.000 0.814 378 A HN 0.406 nan 8.150 nan 0.000 0.446 379 R N -1.006 119.500 120.500 0.010 0.000 2.062 379 R HA -0.001 4.341 4.340 0.003 0.000 0.226 379 R C 2.031 178.316 176.300 -0.024 0.000 1.125 379 R CA 1.296 57.392 56.100 -0.007 0.000 0.966 379 R CB -0.415 29.889 30.300 0.006 0.000 0.861 379 R HN 0.379 nan 8.270 nan 0.000 0.433 380 L N 1.326 122.540 121.223 -0.015 0.000 2.127 380 L HA -0.118 4.223 4.340 0.003 0.000 0.211 380 L C 1.972 178.812 176.870 -0.050 0.000 1.089 380 L CA 2.449 57.272 54.840 -0.027 0.000 0.757 380 L CB -0.475 41.569 42.059 -0.025 0.000 0.899 380 L HN 0.459 nan 8.230 nan 0.000 0.434 381 T N -4.274 110.249 114.554 -0.052 0.000 3.107 381 T HA 0.033 4.385 4.350 0.003 0.000 0.249 381 T C 0.707 175.190 174.700 -0.362 0.000 1.096 381 T CA -0.144 61.894 62.100 -0.103 0.000 1.012 381 T CB -0.465 68.455 68.868 0.086 0.000 0.977 381 T HN 0.250 nan 8.240 nan 0.000 0.527 382 D N 2.578 122.833 120.400 -0.243 0.000 2.347 382 D HA 0.078 4.720 4.640 0.003 0.000 0.235 382 D C 1.300 177.477 176.300 -0.205 0.000 1.149 382 D CA -0.302 53.536 54.000 -0.271 0.000 0.850 382 D CB 1.337 42.060 40.800 -0.128 0.000 1.061 382 D HN 0.614 nan 8.370 nan 0.000 0.487 383 E N 3.380 123.437 120.200 -0.239 0.000 2.267 383 E HA -0.198 4.154 4.350 0.003 0.000 0.197 383 E C 1.097 177.650 176.600 -0.078 0.000 0.998 383 E CA 0.770 57.092 56.400 -0.130 0.000 0.830 383 E CB 0.082 29.721 29.700 -0.101 0.000 0.751 383 E HN 0.372 nan 8.360 nan 0.000 0.491 384 R N 0.085 120.539 120.500 -0.076 0.000 2.240 384 R HA 0.143 4.485 4.340 0.003 0.000 0.203 384 R C 1.741 178.015 176.300 -0.043 0.000 1.011 384 R CA 0.673 56.745 56.100 -0.047 0.000 1.007 384 R CB 0.135 30.412 30.300 -0.038 0.000 0.911 384 R HN 0.285 nan 8.270 nan 0.000 0.468 385 L N 0.242 121.433 121.223 -0.052 0.000 2.817 385 L HA 0.118 4.460 4.340 0.003 0.000 0.248 385 L C 0.529 177.377 176.870 -0.037 0.000 1.133 385 L CA -0.131 54.685 54.840 -0.040 0.000 0.935 385 L CB 0.223 42.259 42.059 -0.038 0.000 1.266 385 L HN 0.111 nan 8.230 nan 0.000 0.535 386 N N 0.749 119.422 118.700 -0.046 0.000 2.313 386 N HA -0.016 4.726 4.740 0.003 0.000 0.207 386 N C 0.051 175.545 175.510 -0.026 0.000 1.141 386 N CA -0.357 52.671 53.050 -0.037 0.000 0.830 386 N CB -0.126 38.332 38.487 -0.048 0.000 1.008 386 N HN 0.040 nan 8.380 nan 0.000 0.481 387 R N -0.291 120.195 120.500 -0.024 0.000 3.188 387 R HA -0.172 4.170 4.340 0.003 0.000 0.247 387 R C 0.795 177.087 176.300 -0.014 0.000 0.918 387 R CA 0.541 56.630 56.100 -0.017 0.000 0.629 387 R CB -1.993 28.299 30.300 -0.014 0.000 1.087 387 R HN 0.642 nan 8.270 nan 0.000 0.462 388 G N -1.019 107.772 108.800 -0.016 0.000 2.194 388 G HA2 -0.296 3.666 3.960 0.003 0.000 0.236 388 G HA3 -0.296 3.666 3.960 0.003 0.000 0.236 388 G C 0.271 175.165 174.900 -0.011 0.000 0.987 388 G CA 0.029 45.122 45.100 -0.010 0.000 0.635 388 G HN 0.267 nan 8.290 nan 0.000 0.520 389 L N 1.555 122.768 121.223 -0.016 0.000 2.436 389 L HA 0.407 4.749 4.340 0.003 0.000 0.265 389 L C -1.625 175.237 176.870 -0.012 0.000 1.168 389 L CA -1.967 52.864 54.840 -0.015 0.000 0.815 389 L CB 0.569 42.618 42.059 -0.016 0.000 1.109 389 L HN -0.081 nan 8.230 nan 0.000 0.462 390 P HA 0.048 nan 4.420 nan 0.000 0.269 390 P C -2.465 174.881 177.300 0.076 0.000 1.209 390 P CA -0.921 62.197 63.100 0.029 0.000 0.776 390 P CB -0.157 31.474 31.700 -0.114 0.000 0.876 391 P HA -0.015 nan 4.420 nan 0.000 0.266 391 P C -0.264 177.121 177.300 0.141 0.000 1.215 391 P CA 0.383 63.461 63.100 -0.037 0.000 0.763 391 P CB -0.199 31.525 31.700 0.039 0.000 0.806 392 F N 1.688 121.735 119.950 0.163 0.000 3.034 392 F HA -0.240 4.287 4.527 0.000 0.000 0.286 392 F C 1.314 177.289 175.800 0.291 0.000 0.804 392 F CA 0.321 58.441 58.000 0.201 0.000 1.161 392 F CB -2.594 36.510 39.000 0.173 0.000 1.317 392 F HN 0.274 nan 8.300 nan 0.000 0.453 393 L N -1.623 119.775 121.223 0.292 0.000 3.839 393 L HA -0.317 4.025 4.340 0.003 0.000 0.416 393 L C 1.318 178.348 176.870 0.268 0.000 1.195 393 L CA 1.045 56.038 54.840 0.255 0.000 0.946 393 L CB -1.959 40.276 42.059 0.295 0.000 1.891 393 L HN 0.695 nan 8.230 nan 0.000 0.963 394 H N 0.468 119.659 119.070 0.201 0.000 2.603 394 H HA 0.661 5.219 4.556 0.004 0.000 0.370 394 H C 0.273 175.652 175.328 0.086 0.000 1.225 394 H CA -0.409 55.712 56.048 0.121 0.000 1.410 394 H CB 0.920 30.745 29.762 0.106 0.000 1.495 394 H HN 0.296 nan 8.280 nan 0.000 0.602 395 R N -0.117 120.354 120.500 -0.048 0.000 2.912 395 R HA 0.478 4.820 4.340 0.003 0.000 0.262 395 R C -0.283 176.082 176.300 0.109 0.000 1.057 395 R CA -0.272 55.778 56.100 -0.083 0.000 0.981 395 R CB 2.029 32.319 30.300 -0.018 0.000 1.201 395 R HN 1.094 nan 8.270 nan 0.000 0.484 396 G N 1.235 110.081 108.800 0.077 0.000 2.782 396 G HA2 -0.187 3.774 3.960 0.003 0.000 0.228 396 G HA3 -0.187 3.774 3.960 0.003 0.000 0.228 396 G C -2.712 172.304 174.900 0.194 0.000 1.372 396 G CA -1.210 43.959 45.100 0.113 0.000 0.862 396 G HN 0.382 nan 8.290 nan 0.000 0.547 397 P HA 0.460 nan 4.420 nan 0.000 0.267 397 P C 0.409 177.755 177.300 0.077 0.000 1.205 397 P CA 0.798 63.965 63.100 0.110 0.000 0.765 397 P CB 0.745 32.475 31.700 0.051 0.000 0.828 398 A N 3.395 126.251 122.820 0.060 0.000 2.445 398 A HA 0.486 4.807 4.320 0.003 0.000 0.242 398 A C 1.591 179.081 177.584 -0.157 0.000 1.075 398 A CA 0.785 52.674 52.037 -0.247 0.000 0.777 398 A CB -0.937 18.006 19.000 -0.095 0.000 1.013 398 A HN 0.806 nan 8.150 nan 0.000 0.493 399 G N 0.300 108.979 108.800 -0.203 0.000 3.329 399 G HA2 -0.309 3.653 3.960 0.003 0.000 0.220 399 G HA3 -0.309 3.653 3.960 0.003 0.000 0.220 399 G C 1.083 175.931 174.900 -0.086 0.000 1.358 399 G CA 0.530 45.569 45.100 -0.102 0.000 0.856 399 G HN 0.888 nan 8.290 nan 0.000 0.551 400 L N 1.021 122.205 121.223 -0.065 0.000 2.265 400 L HA 0.130 4.472 4.340 0.003 0.000 0.215 400 L C 0.841 177.684 176.870 -0.046 0.000 1.117 400 L CA 0.931 55.747 54.840 -0.040 0.000 0.782 400 L CB -0.324 41.726 42.059 -0.015 0.000 0.914 400 L HN 0.324 nan 8.230 nan 0.000 0.441 401 N N -1.510 117.145 118.700 -0.076 0.000 2.238 401 N HA 0.229 4.971 4.740 0.003 0.000 0.302 401 N C -0.118 175.319 175.510 -0.122 0.000 1.072 401 N CA -0.162 52.856 53.050 -0.054 0.000 0.792 401 N CB 2.178 40.701 38.487 0.061 0.000 1.425 401 N HN -0.241 nan 8.380 nan 0.000 0.478 402 S N -0.112 115.549 115.700 -0.065 0.000 2.603 402 S HA 0.268 4.740 4.470 0.003 0.000 0.232 402 S C 1.212 175.837 174.600 0.041 0.000 1.016 402 S CA 0.054 58.217 58.200 -0.061 0.000 0.976 402 S CB 0.590 63.703 63.200 -0.146 0.000 0.921 402 S HN 0.937 nan 8.310 nan 0.000 0.516 403 G N 2.510 111.339 108.800 0.047 0.000 2.629 403 G HA2 -0.345 3.617 3.960 0.003 0.000 0.313 403 G HA3 -0.345 3.617 3.960 0.003 0.000 0.313 403 G C 0.199 174.997 174.900 -0.170 0.000 1.217 403 G CA 0.796 45.889 45.100 -0.012 0.000 0.994 403 G HN 0.459 nan 8.290 nan 0.000 0.549 404 F N 1.358 121.394 119.950 0.143 0.000 2.663 404 F HA 0.490 5.018 4.527 0.002 0.000 0.299 404 F C 2.329 178.167 175.800 0.064 0.000 1.143 404 F CA 0.881 58.942 58.000 0.101 0.000 1.387 404 F CB 0.196 39.272 39.000 0.127 0.000 1.019 404 F HN 0.325 nan 8.300 nan 0.000 0.523 405 M N -0.099 119.502 119.600 0.001 0.000 2.159 405 M HA -0.096 4.385 4.480 0.003 0.000 0.263 405 M C 2.327 178.497 176.300 -0.215 0.000 1.063 405 M CA 2.167 57.190 55.300 -0.462 0.000 1.110 405 M CB -0.364 31.671 32.600 -0.942 0.000 1.374 405 M HN 0.309 nan 8.290 nan 0.000 0.411 406 G N -0.878 107.855 108.800 -0.112 0.000 2.396 406 G HA2 -0.051 3.911 3.960 0.003 0.000 0.214 406 G HA3 -0.051 3.911 3.960 0.003 0.000 0.214 406 G C 1.472 176.379 174.900 0.011 0.000 1.166 406 G CA 0.635 45.699 45.100 -0.061 0.000 0.793 406 G HN 0.595 nan 8.290 nan 0.000 0.533 407 A N 0.001 122.866 122.820 0.074 0.000 1.972 407 A HA -0.070 4.252 4.320 0.003 0.000 0.219 407 A C 2.253 179.905 177.584 0.115 0.000 1.169 407 A CA 1.967 54.077 52.037 0.122 0.000 0.635 407 A CB -0.371 18.778 19.000 0.249 0.000 0.810 407 A HN 0.377 nan 8.150 nan 0.000 0.446 408 Q N 0.098 119.982 119.800 0.140 0.000 2.079 408 Q HA -0.111 4.231 4.340 0.003 0.000 0.200 408 Q C 2.068 178.122 176.000 0.090 0.000 0.974 408 Q CA 1.972 57.857 55.803 0.137 0.000 0.840 408 Q CB -0.273 28.603 28.738 0.230 0.000 0.898 408 Q HN 0.420 nan 8.270 nan 0.000 0.430 409 V N 0.576 120.525 119.914 0.057 0.000 2.427 409 V HA -0.202 3.920 4.120 0.003 0.000 0.248 409 V C 2.352 178.465 176.094 0.033 0.000 1.051 409 V CA 2.010 64.332 62.300 0.036 0.000 1.048 409 V CB -0.785 31.040 31.823 0.004 0.000 0.666 409 V HN 0.381 nan 8.190 nan 0.000 0.456 410 T N 0.430 115.004 114.554 0.033 0.000 2.720 410 T HA -0.184 4.168 4.350 0.003 0.000 0.268 410 T C 2.048 176.770 174.700 0.036 0.000 1.037 410 T CA 1.646 63.764 62.100 0.030 0.000 1.144 410 T CB -0.370 68.516 68.868 0.030 0.000 0.864 410 T HN 0.578 nan 8.240 nan 0.000 0.444 411 A N 1.096 123.943 122.820 0.045 0.000 1.933 411 A HA -0.115 4.206 4.320 0.003 0.000 0.218 411 A C 2.546 180.158 177.584 0.046 0.000 1.175 411 A CA 2.026 54.091 52.037 0.047 0.000 0.628 411 A CB -1.136 17.895 19.000 0.052 0.000 0.814 411 A HN 0.474 nan 8.150 nan 0.000 0.444 412 T N 0.235 114.816 114.554 0.045 0.000 2.777 412 T HA 0.013 4.365 4.350 0.003 0.000 0.266 412 T C 2.207 176.926 174.700 0.031 0.000 1.040 412 T CA 1.451 63.574 62.100 0.039 0.000 1.141 412 T CB -0.393 68.499 68.868 0.040 0.000 0.868 412 T HN 0.587 nan 8.240 nan 0.000 0.444 413 A N 1.213 124.050 122.820 0.028 0.000 1.933 413 A HA 0.047 4.369 4.320 0.003 0.000 0.218 413 A C 2.284 179.883 177.584 0.025 0.000 1.175 413 A CA 1.070 53.120 52.037 0.023 0.000 0.628 413 A CB -0.778 18.234 19.000 0.019 0.000 0.814 413 A HN 0.470 nan 8.150 nan 0.000 0.444 414 L N -1.150 120.091 121.223 0.031 0.000 2.046 414 L HA -0.157 4.184 4.340 0.003 0.000 0.208 414 L C 2.564 179.455 176.870 0.036 0.000 1.077 414 L CA 1.156 56.017 54.840 0.036 0.000 0.747 414 L CB -0.519 41.567 42.059 0.044 0.000 0.896 414 L HN 0.476 nan 8.230 nan 0.000 0.432 415 L N 0.248 121.492 121.223 0.035 0.000 2.027 415 L HA -0.095 4.247 4.340 0.003 0.000 0.206 415 L C 2.666 179.546 176.870 0.016 0.000 1.074 415 L CA 1.969 56.824 54.840 0.026 0.000 0.745 415 L CB -0.727 41.347 42.059 0.024 0.000 0.898 415 L HN 0.121 nan 8.230 nan 0.000 0.433 416 A N -0.768 122.062 122.820 0.017 0.000 1.948 416 A HA -0.306 4.016 4.320 0.003 0.000 0.220 416 A C 2.328 179.919 177.584 0.012 0.000 1.177 416 A CA 2.022 54.067 52.037 0.013 0.000 0.636 416 A CB -0.797 18.211 19.000 0.014 0.000 0.815 416 A HN 0.653 nan 8.150 nan 0.000 0.449 417 E N -0.648 119.561 120.200 0.016 0.000 2.077 417 E HA -0.191 4.161 4.350 0.003 0.000 0.193 417 E C 2.067 178.676 176.600 0.016 0.000 0.989 417 E CA 1.372 57.782 56.400 0.016 0.000 0.800 417 E CB -0.215 29.496 29.700 0.019 0.000 0.746 417 E HN 0.679 nan 8.360 nan 0.000 0.452 418 M N 0.055 119.665 119.600 0.016 0.000 2.082 418 M HA -0.207 4.275 4.480 0.003 0.000 0.258 418 M C 2.361 178.664 176.300 0.005 0.000 1.069 418 M CA 1.665 56.973 55.300 0.012 0.000 1.102 418 M CB -0.293 32.311 32.600 0.006 0.000 1.336 418 M HN 0.030 nan 8.290 nan 0.000 0.404 419 R N 0.172 120.672 120.500 0.001 0.000 2.152 419 R HA -0.061 4.281 4.340 0.003 0.000 0.232 419 R C 2.262 178.566 176.300 0.006 0.000 1.117 419 R CA 1.206 57.306 56.100 -0.001 0.000 0.981 419 R CB -0.531 29.767 30.300 -0.003 0.000 0.870 419 R HN 0.401 nan 8.270 nan 0.000 0.451 420 A N 0.568 123.394 122.820 0.010 0.000 2.067 420 A HA -0.050 4.272 4.320 0.003 0.000 0.219 420 A C 0.846 178.440 177.584 0.016 0.000 1.158 420 A CA 1.013 53.057 52.037 0.012 0.000 0.661 420 A CB 0.006 19.012 19.000 0.010 0.000 0.801 420 A HN 0.128 nan 8.150 nan 0.000 0.452 421 T N 0.181 114.746 114.554 0.018 0.000 2.767 421 T HA 0.544 4.896 4.350 0.003 0.000 0.284 421 T C 0.466 175.187 174.700 0.035 0.000 0.973 421 T CA 0.067 62.183 62.100 0.026 0.000 0.996 421 T CB 1.491 70.373 68.868 0.025 0.000 0.927 421 T HN 0.380 nan 8.240 nan 0.000 0.456 422 G N 3.179 112.014 108.800 0.057 0.000 2.795 422 G HA2 0.664 4.625 3.960 0.003 0.000 0.267 422 G HA3 0.664 4.625 3.960 0.003 0.000 0.267 422 G C -2.622 172.326 174.900 0.081 0.000 1.362 422 G CA -1.600 43.538 45.100 0.063 0.000 1.048 422 G HN 0.434 nan 8.290 nan 0.000 0.547 423 P HA 0.255 nan 4.420 nan 0.000 0.266 423 P C 0.344 177.708 177.300 0.108 0.000 1.195 423 P CA 0.356 63.492 63.100 0.059 0.000 0.768 423 P CB 1.301 33.011 31.700 0.017 0.000 0.838 424 A N 1.951 124.837 122.820 0.110 0.000 1.984 424 A HA -0.045 4.277 4.320 0.003 0.000 0.214 424 A C 2.094 179.753 177.584 0.124 0.000 1.173 424 A CA 1.060 53.203 52.037 0.176 0.000 0.673 424 A CB -1.077 17.992 19.000 0.115 0.000 0.830 424 A HN 0.475 nan 8.150 nan 0.000 0.453 425 S N 0.618 116.344 115.700 0.042 0.000 2.402 425 S HA -0.202 4.270 4.470 0.003 0.000 0.233 425 S C 1.684 176.250 174.600 -0.057 0.000 1.030 425 S CA 1.657 59.860 58.200 0.005 0.000 1.003 425 S CB -0.724 62.478 63.200 0.003 0.000 0.813 425 S HN 0.788 nan 8.310 nan 0.000 0.477 426 I N -1.313 119.147 120.570 -0.183 0.000 3.444 426 I HA 0.047 4.219 4.170 0.003 0.000 0.287 426 I C 0.604 176.497 176.117 -0.374 0.000 1.302 426 I CA 0.962 62.087 61.300 -0.292 0.000 1.368 426 I CB -0.361 37.416 38.000 -0.371 0.000 1.048 426 I HN 0.171 nan 8.210 nan 0.000 0.487 427 H N 1.223 120.304 119.070 0.017 0.000 2.550 427 H HA 0.322 4.879 4.556 0.003 0.000 0.304 427 H C 0.560 175.899 175.328 0.019 0.000 1.086 427 H CA -0.257 55.802 56.048 0.017 0.000 1.089 427 H CB 0.123 29.895 29.762 0.017 0.000 1.528 427 H HN 0.289 nan 8.280 nan 0.000 0.539 428 S N 1.280 117.024 115.700 0.075 0.000 2.549 428 S HA 0.215 4.687 4.470 0.003 0.000 0.286 428 S C 0.282 174.920 174.600 0.063 0.000 1.314 428 S CA -0.210 58.028 58.200 0.062 0.000 1.062 428 S CB 0.022 63.245 63.200 0.037 0.000 0.865 428 S HN 0.315 nan 8.310 nan 0.000 0.498 429 I N 3.390 123.995 120.570 0.059 0.000 2.534 429 I HA 0.200 4.372 4.170 0.003 0.000 0.288 429 I C 0.066 176.209 176.117 0.043 0.000 1.077 429 I CA -0.637 60.693 61.300 0.050 0.000 1.051 429 I CB 2.085 40.115 38.000 0.050 0.000 1.234 429 I HN 0.574 nan 8.210 nan 0.000 0.425 430 S N 4.062 119.784 115.700 0.037 0.000 2.544 430 S HA 0.208 4.680 4.470 0.003 0.000 0.290 430 S C -0.168 174.453 174.600 0.034 0.000 1.276 430 S CA 0.553 58.774 58.200 0.035 0.000 1.075 430 S CB 0.218 63.436 63.200 0.030 0.000 0.849 430 S HN 0.780 nan 8.310 nan 0.000 0.494 431 T N 3.154 117.730 114.554 0.037 0.000 2.681 431 T HA 0.410 4.762 4.350 0.003 0.000 0.296 431 T C -0.411 174.310 174.700 0.036 0.000 1.157 431 T CA -0.085 62.036 62.100 0.035 0.000 1.025 431 T CB 0.835 69.724 68.868 0.035 0.000 1.441 431 T HN 0.917 nan 8.240 nan 0.000 0.504 432 N N 0.725 119.446 118.700 0.035 0.000 2.727 432 N HA -0.223 4.518 4.740 0.003 0.000 0.251 432 N C 0.277 175.808 175.510 0.035 0.000 1.040 432 N CA 0.880 53.952 53.050 0.037 0.000 0.712 432 N CB -1.218 37.294 38.487 0.042 0.000 0.912 432 N HN 1.647 nan 8.380 nan 0.000 0.545 433 A N -0.576 122.262 122.820 0.029 0.000 2.791 433 A HA 0.026 4.347 4.320 0.003 0.000 0.292 433 A C 1.366 178.967 177.584 0.028 0.000 1.487 433 A CA 2.037 54.089 52.037 0.026 0.000 0.760 433 A CB -2.272 16.743 19.000 0.025 0.000 1.031 433 A HN 2.286 nan 8.150 nan 0.000 0.503 434 A N -2.252 120.586 122.820 0.030 0.000 3.413 434 A HA -0.374 3.947 4.320 0.003 0.000 0.268 434 A C 1.432 179.038 177.584 0.035 0.000 1.128 434 A CA 2.126 54.181 52.037 0.031 0.000 1.062 434 A CB -2.531 16.485 19.000 0.026 0.000 1.121 434 A HN 2.262 nan 8.150 nan 0.000 0.895 435 N N 0.005 118.729 118.700 0.040 0.000 2.142 435 N HA -0.099 4.643 4.740 0.003 0.000 0.186 435 N C 0.980 176.522 175.510 0.054 0.000 1.023 435 N CA 1.863 54.941 53.050 0.047 0.000 0.852 435 N CB -0.168 38.350 38.487 0.053 0.000 0.998 435 N HN 0.749 nan 8.380 nan 0.000 0.424 436 Q N 0.586 120.417 119.800 0.052 0.000 2.963 436 Q HA 0.063 4.405 4.340 0.003 0.000 0.262 436 Q C -0.440 175.592 176.000 0.054 0.000 1.318 436 Q CA -0.266 55.573 55.803 0.061 0.000 1.089 436 Q CB 0.544 29.313 28.738 0.053 0.000 1.424 436 Q HN 0.521 nan 8.270 nan 0.000 0.560 437 D N -0.422 120.008 120.400 0.050 0.000 2.348 437 D HA -0.070 4.571 4.640 0.003 0.000 0.216 437 D C 0.641 176.966 176.300 0.040 0.000 0.970 437 D CA 0.381 54.405 54.000 0.041 0.000 0.889 437 D CB 0.116 40.936 40.800 0.033 0.000 0.912 437 D HN 0.205 nan 8.370 nan 0.000 0.524 438 V N -1.848 118.095 119.914 0.048 0.000 2.808 438 V HA 0.757 4.879 4.120 0.003 0.000 0.308 438 V C -0.474 175.657 176.094 0.061 0.000 1.099 438 V CA -1.210 61.117 62.300 0.046 0.000 0.920 438 V CB 1.915 33.760 31.823 0.036 0.000 1.014 438 V HN 0.107 nan 8.190 nan 0.000 0.425 439 V N 0.817 120.766 119.914 0.058 0.000 2.925 439 V HA 0.762 4.884 4.120 0.003 0.000 0.311 439 V C 1.052 177.182 176.094 0.061 0.000 1.104 439 V CA 0.277 62.619 62.300 0.070 0.000 0.954 439 V CB 1.397 33.259 31.823 0.065 0.000 1.022 439 V HN 1.349 nan 8.190 nan 0.000 0.427 440 S N 2.946 118.687 115.700 0.067 0.000 2.395 440 S HA 0.062 4.534 4.470 0.003 0.000 0.225 440 S C 1.175 175.806 174.600 0.052 0.000 1.027 440 S CA 1.223 59.455 58.200 0.053 0.000 0.965 440 S CB -0.877 62.357 63.200 0.057 0.000 0.812 440 S HN 1.429 nan 8.310 nan 0.000 0.482 441 L N 0.297 121.555 121.223 0.058 0.000 4.040 441 L HA -0.196 4.146 4.340 0.003 0.000 0.410 441 L C 1.494 178.396 176.870 0.053 0.000 1.187 441 L CA 0.020 54.895 54.840 0.058 0.000 0.956 441 L CB -2.275 39.827 42.059 0.073 0.000 2.022 441 L HN 0.536 nan 8.230 nan 0.000 0.897 442 G N -0.484 108.345 108.800 0.048 0.000 2.432 442 G HA2 -0.197 3.765 3.960 0.003 0.000 0.219 442 G HA3 -0.197 3.765 3.960 0.003 0.000 0.219 442 G C 1.272 176.197 174.900 0.041 0.000 1.135 442 G CA 1.371 46.496 45.100 0.042 0.000 0.767 442 G HN 0.461 nan 8.290 nan 0.000 0.550 443 T N 1.353 115.931 114.554 0.039 0.000 2.777 443 T HA -0.029 4.323 4.350 0.003 0.000 0.266 443 T C 2.374 177.096 174.700 0.037 0.000 1.040 443 T CA 0.937 63.057 62.100 0.034 0.000 1.141 443 T CB -0.122 68.763 68.868 0.028 0.000 0.868 443 T HN 0.266 nan 8.240 nan 0.000 0.444 444 I N 1.549 122.143 120.570 0.040 0.000 2.226 444 I HA -0.162 4.010 4.170 0.003 0.000 0.245 444 I C 3.009 179.156 176.117 0.050 0.000 1.100 444 I CA 1.084 62.409 61.300 0.042 0.000 1.374 444 I CB -0.541 37.487 38.000 0.046 0.000 1.057 444 I HN 0.205 nan 8.210 nan 0.000 0.413 445 A N 0.826 123.679 122.820 0.056 0.000 1.908 445 A HA -0.211 4.111 4.320 0.003 0.000 0.218 445 A C 2.532 180.152 177.584 0.061 0.000 1.181 445 A CA 2.067 54.140 52.037 0.060 0.000 0.627 445 A CB -0.876 18.159 19.000 0.058 0.000 0.818 445 A HN 0.446 nan 8.150 nan 0.000 0.445 446 A N -0.532 122.324 122.820 0.060 0.000 1.930 446 A HA -0.119 4.203 4.320 0.003 0.000 0.217 446 A C 2.242 179.864 177.584 0.063 0.000 1.175 446 A CA 1.429 53.508 52.037 0.070 0.000 0.627 446 A CB -0.407 18.634 19.000 0.067 0.000 0.815 446 A HN 0.552 nan 8.150 nan 0.000 0.443 447 R N -0.540 119.991 120.500 0.052 0.000 2.092 447 R HA 0.040 4.382 4.340 0.003 0.000 0.231 447 R C 1.970 178.299 176.300 0.048 0.000 1.119 447 R CA 1.226 57.354 56.100 0.047 0.000 0.970 447 R CB -0.429 29.893 30.300 0.036 0.000 0.864 447 R HN 0.492 nan 8.270 nan 0.000 0.440 448 L N -0.222 121.029 121.223 0.047 0.000 2.093 448 L HA -0.219 4.123 4.340 0.003 0.000 0.208 448 L C 2.753 179.651 176.870 0.047 0.000 1.085 448 L CA 0.810 55.677 54.840 0.045 0.000 0.755 448 L CB -0.515 41.572 42.059 0.047 0.000 0.904 448 L HN 0.374 nan 8.230 nan 0.000 0.435 449 C N 0.301 119.632 119.300 0.052 0.000 2.440 449 C HA -0.137 4.325 4.460 0.003 0.000 0.278 449 C C 3.088 178.115 174.990 0.062 0.000 1.295 449 C CA 0.763 59.811 59.018 0.049 0.000 1.738 449 C CB -0.554 27.216 27.740 0.050 0.000 1.987 449 C HN 0.489 nan 8.230 nan 0.000 0.492 450 R N 1.307 121.847 120.500 0.068 0.000 2.081 450 R HA -0.072 4.270 4.340 0.003 0.000 0.235 450 R C 2.100 178.446 176.300 0.078 0.000 1.131 450 R CA 1.970 58.117 56.100 0.078 0.000 0.960 450 R CB -0.809 29.535 30.300 0.074 0.000 0.856 450 R HN 0.537 nan 8.270 nan 0.000 0.436 451 E N 0.740 120.978 120.200 0.064 0.000 2.077 451 E HA -0.169 4.183 4.350 0.003 0.000 0.193 451 E C 1.816 178.458 176.600 0.071 0.000 0.989 451 E CA 1.338 57.774 56.400 0.060 0.000 0.800 451 E CB -0.099 29.628 29.700 0.046 0.000 0.746 451 E HN 0.440 nan 8.360 nan 0.000 0.452 452 K N 0.297 120.739 120.400 0.069 0.000 2.148 452 K HA -0.007 4.315 4.320 0.003 0.000 0.204 452 K C 2.271 178.956 176.600 0.142 0.000 1.050 452 K CA 0.651 56.982 56.287 0.074 0.000 0.942 452 K CB -0.063 32.457 32.500 0.033 0.000 0.724 452 K HN 0.096 nan 8.250 nan 0.000 0.446 453 I N 1.411 122.077 120.570 0.160 0.000 2.315 453 I HA -0.259 3.913 4.170 0.003 0.000 0.248 453 I C 1.506 177.744 176.117 0.200 0.000 1.117 453 I CA 1.125 62.575 61.300 0.251 0.000 1.404 453 I CB -0.175 37.941 38.000 0.194 0.000 1.071 453 I HN 0.134 nan 8.210 nan 0.000 0.419 454 D N 0.549 121.026 120.400 0.128 0.000 2.144 454 D HA -0.114 4.528 4.640 0.003 0.000 0.200 454 D C 2.322 178.675 176.300 0.089 0.000 0.978 454 D CA 0.847 54.898 54.000 0.086 0.000 0.833 454 D CB -0.189 40.650 40.800 0.065 0.000 0.961 454 D HN 0.171 nan 8.370 nan 0.000 0.470 455 R N 0.012 120.580 120.500 0.113 0.000 2.075 455 R HA -0.116 4.226 4.340 0.003 0.000 0.232 455 R C 2.126 178.532 176.300 0.177 0.000 1.126 455 R CA 0.479 56.646 56.100 0.111 0.000 0.963 455 R CB -1.066 29.291 30.300 0.094 0.000 0.858 455 R HN 0.337 nan 8.270 nan 0.000 0.435 456 W N 1.915 123.214 121.300 -0.002 0.000 2.338 456 W HA -0.105 4.557 4.660 0.003 0.000 0.304 456 W C 2.123 178.630 176.519 -0.020 0.000 1.212 456 W CA 1.423 58.766 57.345 -0.003 0.000 1.264 456 W CB -0.628 28.838 29.460 0.009 0.000 1.142 456 W HN 0.148 nan 8.180 nan 0.000 0.512 457 A N 0.196 123.019 122.820 0.004 0.000 1.902 457 A HA -0.237 4.085 4.320 0.003 0.000 0.217 457 A C 1.869 179.364 177.584 -0.148 0.000 1.181 457 A CA 2.009 53.937 52.037 -0.182 0.000 0.623 457 A CB -0.784 18.139 19.000 -0.129 0.000 0.818 457 A HN 0.468 nan 8.150 nan 0.000 0.443 458 E N -0.392 119.778 120.200 -0.049 0.000 2.106 458 E HA -0.087 4.265 4.350 0.003 0.000 0.192 458 E C 1.842 178.421 176.600 -0.035 0.000 0.984 458 E CA 1.063 57.436 56.400 -0.046 0.000 0.806 458 E CB -0.245 29.453 29.700 -0.004 0.000 0.750 458 E HN 0.698 nan 8.360 nan 0.000 0.458 459 I N 0.877 121.461 120.570 0.024 0.000 2.252 459 I HA -0.256 3.916 4.170 0.003 0.000 0.245 459 I C 2.225 178.344 176.117 0.004 0.000 1.102 459 I CA 0.945 62.276 61.300 0.052 0.000 1.385 459 I CB -0.121 37.968 38.000 0.147 0.000 1.064 459 I HN 0.111 nan 8.210 nan 0.000 0.414 460 L N 0.405 121.596 121.223 -0.054 0.000 2.141 460 L HA -0.169 4.172 4.340 0.003 0.000 0.209 460 L C 2.794 179.542 176.870 -0.203 0.000 1.094 460 L CA 1.113 55.873 54.840 -0.132 0.000 0.763 460 L CB -0.600 41.283 42.059 -0.293 0.000 0.908 460 L HN 0.235 nan 8.230 nan 0.000 0.437 461 A N 0.267 122.943 122.820 -0.241 0.000 1.898 461 A HA -0.153 4.169 4.320 0.003 0.000 0.216 461 A C 2.193 179.649 177.584 -0.214 0.000 1.181 461 A CA 1.342 53.205 52.037 -0.291 0.000 0.620 461 A CB -0.548 18.291 19.000 -0.269 0.000 0.819 461 A HN 0.337 nan 8.150 nan 0.000 0.442 462 I N -0.792 119.700 120.570 -0.130 0.000 2.226 462 I HA -0.216 3.955 4.170 0.003 0.000 0.245 462 I C 2.410 178.446 176.117 -0.135 0.000 1.100 462 I CA 1.147 62.394 61.300 -0.089 0.000 1.374 462 I CB -0.246 37.741 38.000 -0.022 0.000 1.057 462 I HN 0.395 nan 8.210 nan 0.000 0.413 463 L N 1.188 122.349 121.223 -0.102 0.000 2.083 463 L HA -0.131 4.210 4.340 0.003 0.000 0.209 463 L C 2.512 179.316 176.870 -0.110 0.000 1.083 463 L CA 2.071 56.856 54.840 -0.090 0.000 0.752 463 L CB -0.745 41.303 42.059 -0.019 0.000 0.899 463 L HN 0.176 nan 8.230 nan 0.000 0.433 464 A N -0.528 122.224 122.820 -0.114 0.000 1.898 464 A HA -0.136 4.186 4.320 0.003 0.000 0.216 464 A C 2.245 179.755 177.584 -0.123 0.000 1.181 464 A CA 1.872 53.861 52.037 -0.081 0.000 0.620 464 A CB -0.857 18.062 19.000 -0.134 0.000 0.819 464 A HN 0.496 nan 8.150 nan 0.000 0.442 465 L N -0.929 120.178 121.223 -0.193 0.000 2.141 465 L HA -0.219 4.123 4.340 0.003 0.000 0.209 465 L C 2.638 179.290 176.870 -0.363 0.000 1.094 465 L CA 0.986 55.726 54.840 -0.167 0.000 0.763 465 L CB -0.622 41.396 42.059 -0.070 0.000 0.908 465 L HN 0.485 nan 8.230 nan 0.000 0.437 466 C N -0.311 118.632 119.300 -0.594 0.000 2.446 466 C HA -0.100 4.361 4.460 0.003 0.000 0.277 466 C C 2.720 177.503 174.990 -0.345 0.000 1.275 466 C CA 0.347 58.871 59.018 -0.823 0.000 1.727 466 C CB -0.634 26.750 27.740 -0.593 0.000 2.010 466 C HN 0.429 nan 8.230 nan 0.000 0.486 467 L N 0.907 122.020 121.223 -0.183 0.000 2.141 467 L HA -0.117 4.225 4.340 0.003 0.000 0.209 467 L C 2.837 179.693 176.870 -0.023 0.000 1.094 467 L CA 1.409 56.209 54.840 -0.067 0.000 0.763 467 L CB -0.635 41.417 42.059 -0.013 0.000 0.908 467 L HN 0.335 nan 8.230 nan 0.000 0.437 468 A N -0.339 122.472 122.820 -0.015 0.000 1.902 468 A HA -0.282 4.040 4.320 0.003 0.000 0.217 468 A C 2.207 179.821 177.584 0.050 0.000 1.181 468 A CA 1.888 53.949 52.037 0.039 0.000 0.623 468 A CB -0.472 18.568 19.000 0.068 0.000 0.818 468 A HN 0.424 nan 8.150 nan 0.000 0.443 469 Q N -0.359 119.471 119.800 0.049 0.000 2.079 469 Q HA 0.020 4.362 4.340 0.003 0.000 0.200 469 Q C 2.041 178.078 176.000 0.061 0.000 0.974 469 Q CA 1.933 57.801 55.803 0.108 0.000 0.840 469 Q CB -0.474 28.420 28.738 0.260 0.000 0.898 469 Q HN 0.538 nan 8.270 nan 0.000 0.430 470 A N 0.395 123.222 122.820 0.011 0.000 1.933 470 A HA -0.053 4.269 4.320 0.003 0.000 0.218 470 A C 2.288 179.880 177.584 0.014 0.000 1.175 470 A CA 1.662 53.702 52.037 0.006 0.000 0.628 470 A CB -1.130 17.857 19.000 -0.021 0.000 0.814 470 A HN 0.543 nan 8.150 nan 0.000 0.444 471 A N 0.018 122.850 122.820 0.019 0.000 1.902 471 A HA -0.176 4.146 4.320 0.003 0.000 0.217 471 A C 1.907 179.507 177.584 0.026 0.000 1.181 471 A CA 1.629 53.681 52.037 0.025 0.000 0.623 471 A CB -0.513 18.506 19.000 0.032 0.000 0.818 471 A HN 0.647 nan 8.150 nan 0.000 0.443 472 E N -0.251 119.969 120.200 0.033 0.000 2.150 472 E HA -0.082 4.270 4.350 0.003 0.000 0.193 472 E C 1.869 178.483 176.600 0.024 0.000 0.985 472 E CA 0.922 57.342 56.400 0.033 0.000 0.814 472 E CB -0.244 29.483 29.700 0.044 0.000 0.752 472 E HN 0.617 nan 8.360 nan 0.000 0.466 473 L N 0.365 121.601 121.223 0.022 0.000 2.156 473 L HA -0.096 4.246 4.340 0.003 0.000 0.208 473 L C 2.592 179.465 176.870 0.005 0.000 1.095 473 L CA 0.742 55.587 54.840 0.009 0.000 0.770 473 L CB -0.086 41.976 42.059 0.005 0.000 0.914 473 L HN -0.000 nan 8.230 nan 0.000 0.439 474 R N -0.311 120.194 120.500 0.008 0.000 2.080 474 R HA -0.019 4.323 4.340 0.003 0.000 0.222 474 R C 1.750 178.055 176.300 0.008 0.000 1.107 474 R CA 1.484 57.588 56.100 0.006 0.000 0.980 474 R CB -0.350 29.953 30.300 0.006 0.000 0.879 474 R HN 0.316 nan 8.270 nan 0.000 0.439 475 C N 0.303 119.610 119.300 0.012 0.000 3.183 475 C HA 0.650 5.112 4.460 0.003 0.000 0.285 475 C C 0.606 175.604 174.990 0.013 0.000 1.313 475 C CA -0.328 58.697 59.018 0.012 0.000 1.711 475 C CB -0.748 27.001 27.740 0.015 0.000 2.135 475 C HN 0.737 nan 8.230 nan 0.000 0.651 476 G N 1.726 110.535 108.800 0.014 0.000 2.758 476 G HA2 -0.155 3.807 3.960 0.003 0.000 0.686 476 G HA3 -0.155 3.807 3.960 0.003 0.000 0.686 476 G C 0.713 175.624 174.900 0.019 0.000 1.389 476 G CA 0.070 45.178 45.100 0.015 0.000 0.845 476 G HN 0.794 nan 8.290 nan 0.000 0.572 477 S N -0.551 115.161 115.700 0.020 0.000 2.440 477 S HA 0.026 4.498 4.470 0.003 0.000 0.238 477 S C 2.389 177.002 174.600 0.023 0.000 1.010 477 S CA 1.906 60.120 58.200 0.024 0.000 0.972 477 S CB -0.205 63.009 63.200 0.022 0.000 0.774 477 S HN 2.171 nan 8.310 nan 0.000 0.501 478 G N 0.892 109.703 108.800 0.019 0.000 2.813 478 G HA2 0.339 4.301 3.960 0.003 0.000 0.209 478 G HA3 0.339 4.301 3.960 0.003 0.000 0.209 478 G C 0.551 175.462 174.900 0.019 0.000 1.150 478 G CA -0.037 45.073 45.100 0.018 0.000 0.785 478 G HN 0.624 nan 8.290 nan 0.000 0.535 479 L N 0.941 122.176 121.223 0.020 0.000 3.660 479 L HA -0.144 4.198 4.340 0.003 0.000 0.440 479 L C -0.932 175.948 176.870 0.017 0.000 1.262 479 L CA -0.124 54.729 54.840 0.021 0.000 0.837 479 L CB -1.794 40.280 42.059 0.025 0.000 1.689 479 L HN 0.200 nan 8.230 nan 0.000 0.890 480 D N 1.428 121.837 120.400 0.014 0.000 2.450 480 D HA 0.299 4.941 4.640 0.003 0.000 0.247 480 D C 1.374 177.680 176.300 0.010 0.000 1.162 480 D CA 1.363 55.370 54.000 0.012 0.000 0.879 480 D CB 1.341 42.147 40.800 0.010 0.000 1.163 480 D HN 0.538 nan 8.370 nan 0.000 0.472 481 G N 1.414 110.220 108.800 0.009 0.000 2.199 481 G HA2 -0.278 3.684 3.960 0.003 0.000 0.254 481 G HA3 -0.278 3.684 3.960 0.003 0.000 0.254 481 G C 0.435 175.341 174.900 0.010 0.000 0.982 481 G CA 0.091 45.195 45.100 0.007 0.000 0.632 481 G HN 0.515 nan 8.290 nan 0.000 0.529 482 V N 2.628 122.551 119.914 0.014 0.000 2.614 482 V HA 0.498 4.620 4.120 0.003 0.000 0.291 482 V C 1.481 177.586 176.094 0.018 0.000 1.049 482 V CA 0.134 62.446 62.300 0.019 0.000 1.038 482 V CB 1.342 33.179 31.823 0.023 0.000 0.980 482 V HN 1.053 nan 8.190 nan 0.000 0.481 483 S N 5.313 121.026 115.700 0.022 0.000 2.572 483 S HA 0.112 4.584 4.470 0.003 0.000 0.267 483 S C -1.706 172.904 174.600 0.017 0.000 1.361 483 S CA -0.558 57.654 58.200 0.020 0.000 1.009 483 S CB 0.384 63.601 63.200 0.028 0.000 0.888 483 S HN 0.582 nan 8.310 nan 0.000 0.553 484 P HA -0.008 nan 4.420 nan 0.000 0.217 484 P C 1.588 178.891 177.300 0.006 0.000 1.150 484 P CA 1.825 64.930 63.100 0.009 0.000 0.832 484 P CB -0.233 31.471 31.700 0.005 0.000 0.787 485 A N -0.229 122.593 122.820 0.002 0.000 1.898 485 A HA -0.040 4.282 4.320 0.003 0.000 0.216 485 A C 2.468 180.051 177.584 -0.003 0.000 1.181 485 A CA 1.969 54.000 52.037 -0.010 0.000 0.620 485 A CB -1.847 17.142 19.000 -0.018 0.000 0.819 485 A HN 0.265 nan 8.150 nan 0.000 0.442 486 G N -0.337 108.471 108.800 0.013 0.000 2.418 486 G HA2 -0.212 3.750 3.960 0.003 0.000 0.217 486 G HA3 -0.212 3.750 3.960 0.003 0.000 0.217 486 G C 1.685 176.603 174.900 0.031 0.000 1.158 486 G CA 1.091 46.207 45.100 0.026 0.000 0.771 486 G HN 0.558 nan 8.290 nan 0.000 0.545 487 K N 0.162 120.577 120.400 0.026 0.000 2.057 487 K HA -0.041 4.281 4.320 0.003 0.000 0.207 487 K C 2.440 179.059 176.600 0.031 0.000 1.049 487 K CA 1.277 57.582 56.287 0.029 0.000 0.931 487 K CB -0.128 32.385 32.500 0.022 0.000 0.714 487 K HN 0.244 nan 8.250 nan 0.000 0.440 488 K N 1.353 121.767 120.400 0.022 0.000 2.057 488 K HA -0.135 4.186 4.320 0.003 0.000 0.207 488 K C 2.152 178.774 176.600 0.038 0.000 1.049 488 K CA 1.000 57.300 56.287 0.023 0.000 0.931 488 K CB -0.091 32.413 32.500 0.006 0.000 0.714 488 K HN 0.104 nan 8.250 nan 0.000 0.440 489 L N 0.675 121.919 121.223 0.034 0.000 2.017 489 L HA -0.178 4.164 4.340 0.003 0.000 0.208 489 L C 2.084 179.024 176.870 0.117 0.000 1.073 489 L CA 1.173 56.053 54.840 0.067 0.000 0.745 489 L CB -0.168 41.914 42.059 0.038 0.000 0.894 489 L HN 0.028 nan 8.230 nan 0.000 0.432 490 V N -0.022 119.948 119.914 0.093 0.000 2.343 490 V HA -0.309 3.813 4.120 0.003 0.000 0.247 490 V C 2.477 178.628 176.094 0.095 0.000 1.051 490 V CA 2.040 64.398 62.300 0.097 0.000 1.036 490 V CB -0.667 31.200 31.823 0.073 0.000 0.654 490 V HN 0.559 nan 8.190 nan 0.000 0.451 491 Q N -0.071 119.774 119.800 0.074 0.000 2.124 491 Q HA -0.167 4.175 4.340 0.003 0.000 0.202 491 Q C 2.417 178.460 176.000 0.072 0.000 0.977 491 Q CA 1.732 57.572 55.803 0.062 0.000 0.850 491 Q CB -0.419 28.346 28.738 0.044 0.000 0.901 491 Q HN 0.680 nan 8.270 nan 0.000 0.429 492 A N 0.994 123.867 122.820 0.089 0.000 1.898 492 A HA -0.138 4.184 4.320 0.003 0.000 0.216 492 A C 2.090 179.751 177.584 0.130 0.000 1.181 492 A CA 0.986 53.083 52.037 0.100 0.000 0.620 492 A CB -0.640 18.437 19.000 0.129 0.000 0.819 492 A HN 0.266 nan 8.150 nan 0.000 0.442 493 L N -0.984 120.351 121.223 0.186 0.000 2.017 493 L HA -0.168 4.174 4.340 0.003 0.000 0.208 493 L C 2.665 179.682 176.870 0.245 0.000 1.073 493 L CA 1.070 56.070 54.840 0.265 0.000 0.745 493 L CB -0.453 41.745 42.059 0.233 0.000 0.894 493 L HN 0.267 nan 8.230 nan 0.000 0.432 494 R N 0.468 121.061 120.500 0.156 0.000 2.293 494 R HA -0.135 4.207 4.340 0.003 0.000 0.219 494 R C 1.834 178.160 176.300 0.043 0.000 1.091 494 R CA 0.779 56.945 56.100 0.110 0.000 1.004 494 R CB -0.437 29.913 30.300 0.084 0.000 0.865 494 R HN 0.581 nan 8.270 nan 0.000 0.469 495 E N -0.018 120.193 120.200 0.019 0.000 2.208 495 E HA -0.134 4.218 4.350 0.003 0.000 0.193 495 E C 1.374 177.900 176.600 -0.122 0.000 0.988 495 E CA 0.693 57.071 56.400 -0.037 0.000 0.828 495 E CB 0.225 29.906 29.700 -0.032 0.000 0.763 495 E HN 0.234 nan 8.360 nan 0.000 0.478 496 Q N -1.015 118.656 119.800 -0.216 0.000 2.288 496 Q HA 0.154 4.495 4.340 0.003 0.000 0.256 496 Q C -0.358 175.186 176.000 -0.761 0.000 0.835 496 Q CA 0.286 55.771 55.803 -0.530 0.000 0.958 496 Q CB 0.881 29.152 28.738 -0.777 0.000 1.125 496 Q HN 0.119 nan 8.270 nan 0.000 0.513 497 F N 2.066 122.013 119.950 -0.006 0.000 2.434 497 F HA 0.431 4.961 4.527 0.004 0.000 0.355 497 F C -2.143 173.674 175.800 0.028 0.000 1.115 497 F CA -2.650 55.357 58.000 0.012 0.000 1.010 497 F CB 1.358 40.370 39.000 0.020 0.000 1.234 497 F HN -0.211 nan 8.300 nan 0.000 0.439 498 P HA 0.114 nan 4.420 nan 0.000 0.269 498 P C -2.281 175.093 177.300 0.123 0.000 1.215 498 P CA -0.836 62.322 63.100 0.096 0.000 0.780 498 P CB 0.030 31.762 31.700 0.052 0.000 0.898 499 P HA 0.030 nan 4.420 nan 0.000 0.271 499 P C -0.732 176.619 177.300 0.084 0.000 1.233 499 P CA -0.053 63.111 63.100 0.108 0.000 0.789 499 P CB 0.483 32.231 31.700 0.080 0.000 0.951 500 L N 1.558 122.833 121.223 0.086 0.000 2.353 500 L HA 0.176 4.518 4.340 0.003 0.000 0.269 500 L C 1.190 178.064 176.870 0.005 0.000 1.085 500 L CA 0.378 55.217 54.840 -0.001 0.000 0.938 500 L CB -0.465 41.510 42.059 -0.140 0.000 1.312 500 L HN 0.283 nan 8.230 nan 0.000 0.429 501 E N 1.192 121.397 120.200 0.009 0.000 2.318 501 E HA 0.058 4.410 4.350 0.003 0.000 0.193 501 E C 0.156 176.763 176.600 0.012 0.000 0.998 501 E CA 0.345 56.753 56.400 0.014 0.000 0.859 501 E CB 0.416 30.125 29.700 0.016 0.000 0.812 501 E HN 0.543 nan 8.360 nan 0.000 0.492 502 T N 0.580 115.131 114.554 -0.004 0.000 3.012 502 T HA 0.099 4.451 4.350 0.003 0.000 0.330 502 T C -1.763 172.915 174.700 -0.035 0.000 1.321 502 T CA -0.976 61.122 62.100 -0.004 0.000 1.067 502 T CB 1.318 70.187 68.868 0.000 0.000 1.235 502 T HN -0.217 nan 8.240 nan 0.000 0.479 503 D N 3.098 123.473 120.400 -0.042 0.000 2.571 503 D HA 0.288 4.930 4.640 0.003 0.000 0.231 503 D C 0.662 176.921 176.300 -0.068 0.000 1.133 503 D CA 0.888 54.842 54.000 -0.077 0.000 0.862 503 D CB 0.317 41.078 40.800 -0.066 0.000 1.179 503 D HN 0.740 nan 8.370 nan 0.000 0.474 504 R N 0.294 120.742 120.500 -0.087 0.000 2.692 504 R HA 0.594 4.936 4.340 0.003 0.000 0.269 504 R C -3.163 173.102 176.300 -0.059 0.000 1.030 504 R CA -1.665 54.400 56.100 -0.058 0.000 0.882 504 R CB 0.273 30.549 30.300 -0.041 0.000 1.250 504 R HN 0.009 nan 8.270 nan 0.000 0.465 505 P HA 0.138 nan 4.420 nan 0.000 0.267 505 P C -0.283 177.010 177.300 -0.010 0.000 1.209 505 P CA -0.204 62.882 63.100 -0.023 0.000 0.763 505 P CB 0.578 32.272 31.700 -0.011 0.000 0.816 506 L N 1.766 122.984 121.223 -0.009 0.000 2.664 506 L HA 0.168 4.510 4.340 0.003 0.000 0.233 506 L C 2.310 179.197 176.870 0.028 0.000 1.113 506 L CA 0.378 55.228 54.840 0.017 0.000 0.896 506 L CB -0.322 41.749 42.059 0.020 0.000 1.163 506 L HN 0.524 nan 8.230 nan 0.000 0.497 507 G N 0.297 109.108 108.800 0.018 0.000 2.529 507 G HA2 -0.306 3.656 3.960 0.003 0.000 0.219 507 G HA3 -0.306 3.656 3.960 0.003 0.000 0.219 507 G C 1.407 176.322 174.900 0.025 0.000 1.177 507 G CA 0.747 45.858 45.100 0.018 0.000 0.773 507 G HN 0.389 nan 8.290 nan 0.000 0.573 508 Q N -0.117 119.704 119.800 0.035 0.000 2.167 508 Q HA -0.059 4.282 4.340 0.003 0.000 0.202 508 Q C 2.499 178.550 176.000 0.084 0.000 0.970 508 Q CA 1.214 57.046 55.803 0.048 0.000 0.855 508 Q CB -0.092 28.672 28.738 0.044 0.000 0.911 508 Q HN 0.625 nan 8.270 nan 0.000 0.438 509 E N 0.655 120.921 120.200 0.110 0.000 2.072 509 E HA -0.139 4.213 4.350 0.003 0.000 0.191 509 E C 1.979 178.585 176.600 0.011 0.000 0.985 509 E CA 0.730 57.248 56.400 0.197 0.000 0.801 509 E CB -0.014 29.823 29.700 0.227 0.000 0.750 509 E HN 0.331 nan 8.360 nan 0.000 0.452 510 I N 1.171 121.724 120.570 -0.030 0.000 2.163 510 I HA -0.299 3.873 4.170 0.003 0.000 0.243 510 I C 2.564 178.643 176.117 -0.064 0.000 1.085 510 I CA 1.060 62.310 61.300 -0.083 0.000 1.347 510 I CB -0.347 37.632 38.000 -0.034 0.000 1.044 510 I HN 0.098 nan 8.210 nan 0.000 0.408 511 A N 0.740 123.554 122.820 -0.011 0.000 1.877 511 A HA -0.179 4.142 4.320 0.003 0.000 0.216 511 A C 2.552 180.147 177.584 0.018 0.000 1.186 511 A CA 1.958 53.996 52.037 0.002 0.000 0.620 511 A CB -0.904 18.107 19.000 0.018 0.000 0.822 511 A HN 0.441 nan 8.150 nan 0.000 0.443 512 A N -0.629 122.230 122.820 0.066 0.000 1.877 512 A HA -0.050 4.272 4.320 0.003 0.000 0.216 512 A C 2.146 179.811 177.584 0.136 0.000 1.186 512 A CA 1.804 53.917 52.037 0.126 0.000 0.620 512 A CB -0.641 18.493 19.000 0.223 0.000 0.822 512 A HN 0.677 nan 8.150 nan 0.000 0.443 513 L N -0.259 120.991 121.223 0.045 0.000 2.056 513 L HA -0.014 4.328 4.340 0.003 0.000 0.207 513 L C 2.675 179.463 176.870 -0.137 0.000 1.078 513 L CA 2.069 56.847 54.840 -0.103 0.000 0.749 513 L CB -0.878 40.858 42.059 -0.538 0.000 0.901 513 L HN 0.351 nan 8.230 nan 0.000 0.433 514 A N -1.578 121.154 122.820 -0.147 0.000 1.940 514 A HA -0.237 4.084 4.320 0.003 0.000 0.219 514 A C 2.271 179.791 177.584 -0.108 0.000 1.176 514 A CA 2.377 54.318 52.037 -0.161 0.000 0.631 514 A CB -1.226 17.711 19.000 -0.104 0.000 0.814 514 A HN 0.508 nan 8.150 nan 0.000 0.446 515 T N -1.507 113.030 114.554 -0.029 0.000 2.788 515 T HA -0.150 4.202 4.350 0.003 0.000 0.268 515 T C 1.858 176.569 174.700 0.018 0.000 1.044 515 T CA 1.855 63.960 62.100 0.008 0.000 1.139 515 T CB -0.371 68.522 68.868 0.041 0.000 0.867 515 T HN 0.804 nan 8.240 nan 0.000 0.454 516 H N 1.206 120.236 119.070 -0.067 0.000 2.326 516 H HA 0.121 4.678 4.556 0.003 0.000 0.301 516 H C 2.004 177.263 175.328 -0.114 0.000 1.081 516 H CA 1.201 57.216 56.048 -0.055 0.000 1.334 516 H CB -0.535 29.221 29.762 -0.011 0.000 1.385 516 H HN 0.238 nan 8.280 nan 0.000 0.504 517 L N -0.052 120.950 121.223 -0.368 0.000 2.079 517 L HA -0.184 4.158 4.340 0.003 0.000 0.210 517 L C 2.373 179.075 176.870 -0.279 0.000 1.081 517 L CA 1.095 55.581 54.840 -0.589 0.000 0.752 517 L CB -0.553 40.972 42.059 -0.891 0.000 0.896 517 L HN 0.325 nan 8.230 nan 0.000 0.433 518 L N -0.679 120.426 121.223 -0.197 0.000 2.275 518 L HA -0.173 4.169 4.340 0.003 0.000 0.215 518 L C 2.147 178.983 176.870 -0.057 0.000 1.119 518 L CA 1.051 55.846 54.840 -0.076 0.000 0.790 518 L CB -0.199 41.850 42.059 -0.017 0.000 0.919 518 L HN 0.408 nan 8.230 nan 0.000 0.443 519 Q N -1.646 118.032 119.800 -0.203 0.000 2.214 519 Q HA 0.217 4.559 4.340 0.003 0.000 0.229 519 Q C -0.062 175.522 176.000 -0.692 0.000 0.835 519 Q CA 0.011 55.663 55.803 -0.252 0.000 0.953 519 Q CB 1.116 29.829 28.738 -0.042 0.000 1.131 519 Q HN 0.417 nan 8.270 nan 0.000 0.501 520 Q N 0.043 119.378 119.800 -0.775 0.000 2.340 520 Q HA 0.448 4.790 4.340 0.003 0.000 0.276 520 Q C -1.316 174.560 176.000 -0.208 0.000 1.048 520 Q CA -0.376 55.063 55.803 -0.607 0.000 0.832 520 Q CB 2.701 31.215 28.738 -0.374 0.000 1.373 520 Q HN -0.035 nan 8.270 nan 0.000 0.409 521 S N 1.517 117.165 115.700 -0.087 0.000 2.690 521 S HA 0.565 5.037 4.470 0.003 0.000 0.291 521 S C -2.464 171.902 174.600 -0.390 0.000 1.138 521 S CA -1.233 56.852 58.200 -0.193 0.000 1.013 521 S CB 0.893 64.048 63.200 -0.075 0.000 1.053 521 S HN 0.360 nan 8.310 nan 0.000 0.539 522 P HA 0.386 nan 4.420 nan 0.000 0.273 522 P C -1.161 175.944 177.300 -0.326 0.000 1.428 522 P CA 0.001 62.701 63.100 -0.666 0.000 0.995 522 P CB 0.203 31.293 31.700 -1.017 0.000 1.286 523 V N 0.000 119.810 119.914 -0.173 0.000 2.409 523 V HA 0.000 4.122 4.120 0.003 0.000 0.244 523 V CA 0.000 62.237 62.300 -0.105 0.000 1.235 523 V CB 0.000 31.778 31.823 -0.074 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556