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_E 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 0.000 176.610 176.600 0.016 0.000 0.988 8 K CA 0.000 56.298 56.287 0.018 0.000 0.838 8 K CB 0.000 32.512 32.500 0.020 0.000 1.064 9 P HA 0.180 nan 4.420 nan 0.000 0.268 9 P C -1.178 176.130 177.300 0.013 0.000 1.208 9 P CA -0.396 62.714 63.100 0.016 0.000 0.777 9 P CB 1.066 32.779 31.700 0.021 0.000 0.875 10 A N 1.896 124.722 122.820 0.010 0.000 2.371 10 A HA 0.529 4.849 4.320 -0.000 0.000 0.311 10 A C -0.709 176.878 177.584 0.004 0.000 1.068 10 A CA -0.725 51.315 52.037 0.005 0.000 0.744 10 A CB 1.513 20.515 19.000 0.004 0.000 1.239 10 A HN 0.332 nan 8.150 nan 0.000 0.435 11 V N 2.196 122.110 119.914 -0.001 0.000 2.370 11 V HA 0.288 4.408 4.120 -0.000 0.000 0.279 11 V C 0.288 176.378 176.094 -0.006 0.000 1.029 11 V CA -0.303 61.995 62.300 -0.003 0.000 0.870 11 V CB 1.246 33.062 31.823 -0.011 0.000 0.984 11 V HN 0.960 nan 8.190 nan 0.000 0.451 12 E N 4.541 124.740 120.200 -0.001 0.000 2.130 12 E HA 0.384 4.734 4.350 -0.000 0.000 0.284 12 E C -0.998 175.601 176.600 -0.002 0.000 1.018 12 E CA -0.765 55.635 56.400 -0.001 0.000 0.817 12 E CB 1.272 30.974 29.700 0.004 0.000 1.078 12 E HN 0.560 nan 8.360 nan 0.000 0.396 13 L N 5.537 126.755 121.223 -0.008 0.000 2.257 13 L HA 0.310 4.650 4.340 -0.000 0.000 0.290 13 L C -0.241 176.627 176.870 -0.003 0.000 1.044 13 L CA 0.346 55.179 54.840 -0.011 0.000 0.810 13 L CB 1.204 43.249 42.059 -0.023 0.000 1.193 13 L HN 0.705 nan 8.230 nan 0.000 0.425 14 D N 2.973 123.377 120.400 0.007 0.000 3.013 14 D HA 0.175 4.815 4.640 -0.000 0.000 0.256 14 D C 1.331 177.641 176.300 0.016 0.000 1.573 14 D CA 0.820 54.827 54.000 0.012 0.000 1.197 14 D CB 0.719 41.530 40.800 0.019 0.000 1.041 14 D HN 0.602 nan 8.370 nan 0.000 0.304 15 R N -1.775 118.746 120.500 0.035 0.000 2.276 15 R HA 0.195 4.535 4.340 -0.000 0.000 0.195 15 R C 0.148 176.495 176.300 0.078 0.000 0.908 15 R CA -0.133 55.995 56.100 0.047 0.000 1.083 15 R CB 0.712 31.043 30.300 0.052 0.000 1.182 15 R HN 0.215 nan 8.270 nan 0.000 0.608 16 H N 0.043 119.105 119.070 -0.013 0.000 2.538 16 H HA 0.537 5.093 4.556 -0.000 0.000 0.353 16 H C -1.515 173.806 175.328 -0.011 0.000 1.109 16 H CA -0.670 55.369 56.048 -0.014 0.000 1.192 16 H CB 1.537 31.291 29.762 -0.013 0.000 1.555 16 H HN -0.020 nan 8.280 nan 0.000 0.518 17 I N 4.425 124.655 120.570 -0.567 0.000 2.569 17 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 17 I C -1.128 174.715 176.117 -0.456 0.000 1.088 17 I CA -0.857 60.247 61.300 -0.326 0.000 1.047 17 I CB 1.432 39.324 38.000 -0.180 0.000 1.237 17 I HN 0.836 nan 8.210 nan 0.000 0.421 18 D N 6.080 126.380 120.400 -0.167 0.000 2.423 18 D HA 0.203 4.843 4.640 -0.000 0.000 0.255 18 D C 1.028 177.302 176.300 -0.044 0.000 1.174 18 D CA -0.537 53.425 54.000 -0.062 0.000 1.008 18 D CB 0.923 41.763 40.800 0.066 0.000 1.101 18 D HN 0.494 nan 8.370 nan 0.000 0.516 19 L N -0.420 120.802 121.223 -0.003 0.000 2.042 19 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 19 L C 1.574 178.479 176.870 0.059 0.000 1.076 19 L CA 1.461 56.316 54.840 0.024 0.000 0.749 19 L CB -0.499 41.587 42.059 0.044 0.000 0.893 19 L HN 0.433 nan 8.230 nan 0.000 0.432 20 D N -0.162 120.276 120.400 0.063 0.000 2.117 20 D HA -0.185 4.454 4.640 -0.000 0.000 0.197 20 D C 2.332 178.673 176.300 0.067 0.000 0.987 20 D CA 1.130 55.183 54.000 0.089 0.000 0.829 20 D CB -0.156 40.691 40.800 0.077 0.000 0.961 20 D HN 0.398 nan 8.370 nan 0.000 0.460 21 Q N 0.368 120.188 119.800 0.033 0.000 2.084 21 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 21 Q C 2.249 178.245 176.000 -0.007 0.000 0.978 21 Q CA 1.438 57.248 55.803 0.011 0.000 0.844 21 Q CB -0.147 28.587 28.738 -0.006 0.000 0.898 21 Q HN 0.218 nan 8.270 nan 0.000 0.426 22 A N 0.921 123.732 122.820 -0.014 0.000 1.883 22 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 22 A C 1.966 179.530 177.584 -0.033 0.000 1.186 22 A CA 1.760 53.778 52.037 -0.032 0.000 0.624 22 A CB -0.899 18.083 19.000 -0.030 0.000 0.822 22 A HN 0.473 nan 8.150 nan 0.000 0.444 23 H N -0.162 118.852 119.070 -0.093 0.000 2.428 23 H HA 0.045 4.601 4.556 -0.000 0.000 0.296 23 H C 2.253 177.493 175.328 -0.148 0.000 1.062 23 H CA 1.376 57.329 56.048 -0.157 0.000 1.350 23 H CB -0.134 29.441 29.762 -0.312 0.000 1.403 23 H HN 0.418 nan 8.280 nan 0.000 0.533 24 A N 0.512 123.309 122.820 -0.038 0.000 1.877 24 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 24 A C 2.826 180.360 177.584 -0.084 0.000 1.186 24 A CA 1.705 53.723 52.037 -0.031 0.000 0.620 24 A CB -0.894 18.118 19.000 0.019 0.000 0.822 24 A HN 0.282 nan 8.150 nan 0.000 0.443 25 V N -0.217 119.643 119.914 -0.090 0.000 2.307 25 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 25 V C 3.072 179.065 176.094 -0.167 0.000 1.045 25 V CA 1.876 64.118 62.300 -0.098 0.000 1.024 25 V CB -1.309 30.463 31.823 -0.084 0.000 0.651 25 V HN 0.610 nan 8.190 nan 0.000 0.449 26 A N 0.842 123.525 122.820 -0.228 0.000 1.940 26 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 26 A C 2.370 179.723 177.584 -0.385 0.000 1.176 26 A CA 2.319 54.166 52.037 -0.317 0.000 0.631 26 A CB -0.694 18.132 19.000 -0.291 0.000 0.814 26 A HN 0.706 nan 8.150 nan 0.000 0.446 27 S N -1.986 113.501 115.700 -0.356 0.000 2.593 27 S HA 0.379 4.849 4.470 -0.000 0.000 0.217 27 S C 1.380 176.096 174.600 0.194 0.000 0.966 27 S CA 1.005 59.141 58.200 -0.107 0.000 0.914 27 S CB -0.332 62.690 63.200 -0.296 0.000 0.776 27 S HN 1.945 nan 8.310 nan 0.000 0.523 28 G N 0.440 109.284 108.800 0.073 0.000 2.162 28 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.260 28 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.260 28 G C 0.863 175.830 174.900 0.111 0.000 0.976 28 G CA 0.138 45.350 45.100 0.187 0.000 0.655 28 G HN 0.965 nan 8.290 nan 0.000 0.533 29 G N -0.431 108.405 108.800 0.060 0.000 2.572 29 G HA2 0.551 4.511 3.960 -0.000 0.000 0.216 29 G HA3 0.551 4.511 3.960 -0.000 0.000 0.216 29 G C 0.654 175.576 174.900 0.037 0.000 1.133 29 G CA 1.736 46.868 45.100 0.053 0.000 0.791 29 G HN 1.824 nan 8.290 nan 0.000 0.538 30 A N -0.452 122.380 122.820 0.019 0.000 2.515 30 A HA 0.787 5.107 4.320 -0.000 0.000 0.298 30 A C -0.221 177.365 177.584 0.003 0.000 1.059 30 A CA -0.831 51.213 52.037 0.012 0.000 0.698 30 A CB 1.538 20.542 19.000 0.007 0.000 1.289 30 A HN 0.202 nan 8.150 nan 0.000 0.404 31 R N 0.032 120.535 120.500 0.004 0.000 2.583 31 R HA 0.630 4.970 4.340 -0.000 0.000 0.268 31 R C -0.702 175.591 176.300 -0.011 0.000 1.101 31 R CA -0.359 55.740 56.100 -0.001 0.000 1.180 31 R CB 1.116 31.418 30.300 0.003 0.000 1.128 31 R HN 0.684 nan 8.270 nan 0.000 0.568 32 I N 0.863 121.423 120.570 -0.016 0.000 2.509 32 I HA 0.380 4.549 4.170 -0.000 0.000 0.293 32 I C -1.341 174.766 176.117 -0.016 0.000 1.020 32 I CA -0.898 60.390 61.300 -0.020 0.000 1.088 32 I CB 1.907 39.887 38.000 -0.032 0.000 1.267 32 I HN 0.274 nan 8.210 nan 0.000 0.430 33 V N 8.106 128.012 119.914 -0.013 0.000 2.656 33 V HA 0.513 4.633 4.120 -0.000 0.000 0.307 33 V C -1.378 174.709 176.094 -0.011 0.000 1.051 33 V CA -0.694 61.600 62.300 -0.010 0.000 0.893 33 V CB 2.048 33.867 31.823 -0.006 0.000 0.999 33 V HN 0.647 nan 8.190 nan 0.000 0.426 34 L N 6.876 128.092 121.223 -0.012 0.000 2.260 34 L HA 0.788 5.128 4.340 -0.000 0.000 0.289 34 L C 0.679 177.544 176.870 -0.007 0.000 1.057 34 L CA 0.424 55.258 54.840 -0.011 0.000 0.811 34 L CB 0.753 42.804 42.059 -0.014 0.000 1.184 34 L HN 0.913 nan 8.230 nan 0.000 0.429 35 A N 6.843 129.660 122.820 -0.005 0.000 2.466 35 A HA 0.329 4.649 4.320 -0.000 0.000 0.238 35 A C -1.560 176.023 177.584 -0.002 0.000 1.074 35 A CA -0.635 51.401 52.037 -0.002 0.000 0.774 35 A CB -0.379 18.622 19.000 0.002 0.000 1.015 35 A HN 0.789 nan 8.150 nan 0.000 0.498 36 P HA -0.136 nan 4.420 nan 0.000 0.216 36 P C -1.464 175.835 177.300 -0.002 0.000 1.153 36 P CA 1.739 64.838 63.100 -0.002 0.000 0.858 36 P CB -0.703 30.996 31.700 -0.001 0.000 0.789 37 P HA -0.141 nan 4.420 nan 0.000 0.217 37 P C 1.404 178.705 177.300 0.001 0.000 1.150 37 P CA 1.894 64.995 63.100 0.002 0.000 0.832 37 P CB -0.577 31.125 31.700 0.004 0.000 0.787 38 A N -0.184 122.636 122.820 0.000 0.000 1.898 38 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 38 A C 2.244 179.825 177.584 -0.004 0.000 1.181 38 A CA 1.314 53.351 52.037 -0.001 0.000 0.620 38 A CB -1.001 17.998 19.000 -0.002 0.000 0.819 38 A HN 0.037 nan 8.150 nan 0.000 0.442 39 R N -0.202 120.294 120.500 -0.007 0.000 2.096 39 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 39 R C 1.558 177.852 176.300 -0.010 0.000 1.127 39 R CA 1.481 57.575 56.100 -0.011 0.000 0.968 39 R CB -0.341 29.952 30.300 -0.011 0.000 0.861 39 R HN 0.489 nan 8.270 nan 0.000 0.440 40 D N 0.158 120.554 120.400 -0.006 0.000 2.097 40 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 40 D C 1.956 178.254 176.300 -0.004 0.000 0.984 40 D CA 1.128 55.125 54.000 -0.005 0.000 0.826 40 D CB -0.129 40.669 40.800 -0.002 0.000 0.973 40 D HN 0.182 nan 8.370 nan 0.000 0.460 41 R N 0.043 120.542 120.500 -0.001 0.000 2.096 41 R HA -0.072 4.267 4.340 -0.000 0.000 0.235 41 R C 2.502 178.804 176.300 0.002 0.000 1.127 41 R CA 0.977 57.079 56.100 0.003 0.000 0.968 41 R CB -0.441 29.864 30.300 0.007 0.000 0.861 41 R HN 0.235 nan 8.270 nan 0.000 0.440 42 C N -0.217 119.081 119.300 -0.003 0.000 2.457 42 C HA 0.009 4.469 4.460 -0.000 0.000 0.278 42 C C 2.560 177.538 174.990 -0.020 0.000 1.309 42 C CA 0.317 59.330 59.018 -0.009 0.000 1.735 42 C CB -0.764 26.968 27.740 -0.014 0.000 1.992 42 C HN 0.453 nan 8.230 nan 0.000 0.493 43 R N 0.926 121.413 120.500 -0.021 0.000 2.096 43 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 43 R C 2.347 178.633 176.300 -0.023 0.000 1.127 43 R CA 1.573 57.657 56.100 -0.026 0.000 0.968 43 R CB -0.384 29.904 30.300 -0.020 0.000 0.861 43 R HN 0.564 nan 8.270 nan 0.000 0.440 44 A N -0.133 122.679 122.820 -0.014 0.000 1.898 44 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 44 A C 2.139 179.713 177.584 -0.016 0.000 1.181 44 A CA 1.746 53.777 52.037 -0.010 0.000 0.620 44 A CB -0.516 18.484 19.000 -0.000 0.000 0.819 44 A HN 0.296 nan 8.150 nan 0.000 0.442 45 S N -0.817 114.876 115.700 -0.011 0.000 2.383 45 S HA -0.186 4.283 4.470 -0.000 0.000 0.227 45 S C 2.013 176.566 174.600 -0.079 0.000 1.026 45 S CA 1.532 59.722 58.200 -0.015 0.000 0.981 45 S CB -0.325 62.890 63.200 0.024 0.000 0.818 45 S HN 0.670 nan 8.310 nan 0.000 0.472 46 E N 0.327 120.487 120.200 -0.067 0.000 2.118 46 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 46 E C 2.044 178.593 176.600 -0.084 0.000 0.992 46 E CA 1.094 57.442 56.400 -0.085 0.000 0.804 46 E CB -0.329 29.329 29.700 -0.070 0.000 0.741 46 E HN 0.605 nan 8.360 nan 0.000 0.458 47 A N 1.129 123.913 122.820 -0.060 0.000 1.930 47 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 47 A C 2.130 179.671 177.584 -0.071 0.000 1.175 47 A CA 1.144 53.153 52.037 -0.047 0.000 0.627 47 A CB -0.350 18.634 19.000 -0.027 0.000 0.815 47 A HN 0.158 nan 8.150 nan 0.000 0.443 48 R N -1.145 119.301 120.500 -0.090 0.000 2.092 48 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 48 R C 2.103 178.265 176.300 -0.231 0.000 1.119 48 R CA 1.384 57.420 56.100 -0.106 0.000 0.970 48 R CB -0.571 29.695 30.300 -0.057 0.000 0.864 48 R HN 0.502 nan 8.270 nan 0.000 0.440 49 L N 0.565 121.556 121.223 -0.386 0.000 2.046 49 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 49 L C 2.122 178.846 176.870 -0.244 0.000 1.077 49 L CA 2.142 56.654 54.840 -0.546 0.000 0.747 49 L CB -1.044 40.698 42.059 -0.528 0.000 0.896 49 L HN 0.158 nan 8.230 nan 0.000 0.432 50 G N -1.034 107.682 108.800 -0.141 0.000 2.442 50 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 50 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 50 G C 1.579 176.448 174.900 -0.052 0.000 1.141 50 G CA 0.863 45.922 45.100 -0.067 0.000 0.763 50 G HN 0.660 nan 8.290 nan 0.000 0.554 51 A N 0.017 122.804 122.820 -0.055 0.000 1.930 51 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 51 A C 2.584 180.161 177.584 -0.011 0.000 1.175 51 A CA 1.610 53.632 52.037 -0.025 0.000 0.627 51 A CB -0.548 18.442 19.000 -0.016 0.000 0.815 51 A HN 0.237 nan 8.150 nan 0.000 0.443 52 V N 0.324 120.222 119.914 -0.026 0.000 2.343 52 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 52 V C 2.408 178.522 176.094 0.033 0.000 1.051 52 V CA 2.078 64.394 62.300 0.026 0.000 1.036 52 V CB -0.608 31.243 31.823 0.046 0.000 0.654 52 V HN 0.574 nan 8.190 nan 0.000 0.451 53 I N -0.548 120.022 120.570 -0.000 0.000 2.202 53 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 53 I C 2.725 178.847 176.117 0.009 0.000 1.091 53 I CA 1.560 62.867 61.300 0.011 0.000 1.368 53 I CB -0.448 37.548 38.000 -0.007 0.000 1.058 53 I HN 0.203 nan 8.210 nan 0.000 0.410 54 R N 1.352 121.852 120.500 -0.000 0.000 2.105 54 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 54 R C 1.623 177.929 176.300 0.009 0.000 1.135 54 R CA 1.604 57.705 56.100 0.001 0.000 0.967 54 R CB -0.030 30.268 30.300 -0.004 0.000 0.861 54 R HN 0.434 nan 8.270 nan 0.000 0.442 55 E N -0.522 119.689 120.200 0.018 0.000 2.489 55 E HA 0.107 4.457 4.350 -0.000 0.000 0.193 55 E C 0.283 176.903 176.600 0.034 0.000 1.057 55 E CA 0.375 56.790 56.400 0.026 0.000 0.866 55 E CB 0.523 30.242 29.700 0.033 0.000 0.916 55 E HN 0.434 nan 8.360 nan 0.000 0.500 56 A N 2.120 124.960 122.820 0.034 0.000 2.783 56 A HA -0.235 4.085 4.320 -0.000 0.000 0.292 56 A C 0.114 177.735 177.584 0.063 0.000 1.495 56 A CA 0.581 52.641 52.037 0.038 0.000 0.787 56 A CB -1.320 17.691 19.000 0.019 0.000 1.017 56 A HN 0.151 nan 8.150 nan 0.000 0.516 57 R N 0.085 120.640 120.500 0.091 0.000 2.643 57 R HA 0.114 4.454 4.340 -0.000 0.000 0.270 57 R C 0.526 176.940 176.300 0.190 0.000 1.061 57 R CA -0.079 56.100 56.100 0.133 0.000 1.107 57 R CB 0.099 30.488 30.300 0.148 0.000 0.999 57 R HN 0.728 nan 8.270 nan 0.000 0.460 58 H N 1.655 120.766 119.070 0.069 0.000 3.160 58 H HA 0.228 4.784 4.556 -0.000 0.000 0.257 58 H C -0.915 174.483 175.328 0.116 0.000 1.140 58 H CA -0.386 55.694 56.048 0.053 0.000 1.492 58 H CB 0.256 30.025 29.762 0.012 0.000 1.529 58 H HN 0.052 nan 8.280 nan 0.000 0.490 59 V N 6.439 126.563 119.914 0.351 0.000 2.686 59 V HA -0.002 4.118 4.120 -0.000 0.000 0.306 59 V C -0.815 175.505 176.094 0.377 0.000 1.065 59 V CA -1.006 61.526 62.300 0.386 0.000 0.894 59 V CB 1.357 33.397 31.823 0.362 0.000 1.004 59 V HN 0.677 nan 8.190 nan 0.000 0.424 60 Y N 3.747 124.287 120.300 0.400 0.000 2.805 60 Y HA 0.355 4.905 4.550 -0.000 0.000 0.331 60 Y C 1.367 177.354 175.900 0.145 0.000 1.241 60 Y CA 1.932 60.157 58.100 0.208 0.000 1.546 60 Y CB 0.532 39.169 38.460 0.294 0.000 1.248 60 Y HN 1.080 nan 8.280 nan 0.000 0.559 61 G N 4.132 112.617 108.800 -0.525 0.000 2.205 61 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.261 61 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.261 61 G C 0.571 175.435 174.900 -0.060 0.000 0.980 61 G CA 0.585 45.495 45.100 -0.317 0.000 0.632 61 G HN 0.673 nan 8.290 nan 0.000 0.533 62 L N -0.352 120.869 121.223 -0.004 0.000 2.547 62 L HA 0.285 4.625 4.340 -0.000 0.000 0.218 62 L C 2.147 179.018 176.870 0.002 0.000 1.048 62 L CA 1.507 56.375 54.840 0.047 0.000 0.859 62 L CB 0.458 42.595 42.059 0.130 0.000 1.128 62 L HN 0.423 nan 8.230 nan 0.000 0.483 63 T N -3.702 110.850 114.554 -0.003 0.000 3.399 63 T HA 0.210 4.560 4.350 -0.000 0.000 0.305 63 T C 0.207 174.858 174.700 -0.081 0.000 0.983 63 T CA 0.050 62.134 62.100 -0.027 0.000 0.967 63 T CB 0.043 68.923 68.868 0.020 0.000 1.186 63 T HN 0.202 nan 8.240 nan 0.000 0.504 64 T N -2.047 112.403 114.554 -0.174 0.000 2.843 64 T HA 0.765 5.114 4.350 -0.000 0.000 0.302 64 T C 0.498 174.889 174.700 -0.514 0.000 1.232 64 T CA -0.277 61.682 62.100 -0.236 0.000 1.009 64 T CB 1.413 70.222 68.868 -0.099 0.000 1.254 64 T HN 0.288 nan 8.240 nan 0.000 0.504 65 G N -0.085 108.462 108.800 -0.422 0.000 2.553 65 G HA2 0.577 4.537 3.960 -0.000 0.000 0.278 65 G HA3 0.577 4.537 3.960 -0.000 0.000 0.278 65 G C -1.037 173.390 174.900 -0.787 0.000 1.349 65 G CA -0.812 43.966 45.100 -0.536 0.000 1.037 65 G HN 0.565 nan 8.290 nan 0.000 0.508 66 F N -1.097 118.794 119.950 -0.099 0.000 2.541 66 F HA 0.610 5.137 4.527 0.000 0.000 0.331 66 F C 1.203 177.094 175.800 0.152 0.000 1.057 66 F CA 0.393 58.389 58.000 -0.006 0.000 0.975 66 F CB 1.337 40.366 39.000 0.048 0.000 1.246 66 F HN 1.013 nan 8.300 nan 0.000 0.484 67 G N 1.515 110.622 108.800 0.512 0.000 2.614 67 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.303 67 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.303 67 G C -1.882 173.134 174.900 0.193 0.000 1.270 67 G CA 0.006 45.270 45.100 0.273 0.000 0.988 67 G HN 0.521 nan 8.290 nan 0.000 0.551 68 P HA 0.135 nan 4.420 nan 0.000 0.230 68 P C 1.788 179.125 177.300 0.063 0.000 1.158 68 P CA 0.756 63.902 63.100 0.077 0.000 0.769 68 P CB -0.065 31.665 31.700 0.051 0.000 0.807 69 L N -1.530 119.731 121.223 0.063 0.000 2.599 69 L HA 0.126 4.466 4.340 -0.000 0.000 0.230 69 L C 2.039 178.907 176.870 -0.003 0.000 1.141 69 L CA 0.172 55.024 54.840 0.021 0.000 0.877 69 L CB -0.688 41.374 42.059 0.005 0.000 1.009 69 L HN -0.041 nan 8.230 nan 0.000 0.447 70 A N 1.330 124.180 122.820 0.049 0.000 2.178 70 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 70 A C 1.956 179.564 177.584 0.040 0.000 1.157 70 A CA 1.415 53.480 52.037 0.046 0.000 0.689 70 A CB -0.539 18.597 19.000 0.226 0.000 0.787 70 A HN 0.654 nan 8.150 nan 0.000 0.465 71 N N -0.510 118.207 118.700 0.028 0.000 2.494 71 N HA -0.045 4.695 4.740 -0.000 0.000 0.182 71 N C 0.086 175.583 175.510 -0.022 0.000 1.076 71 N CA 0.276 53.335 53.050 0.016 0.000 0.908 71 N CB -0.227 38.270 38.487 0.017 0.000 0.967 71 N HN 0.191 nan 8.380 nan 0.000 0.449 72 R N 1.118 121.595 120.500 -0.040 0.000 2.205 72 R HA 0.366 4.706 4.340 -0.000 0.000 0.342 72 R C -0.193 176.052 176.300 -0.091 0.000 1.058 72 R CA -0.236 55.827 56.100 -0.060 0.000 0.904 72 R CB 0.560 30.825 30.300 -0.059 0.000 1.089 72 R HN 0.168 nan 8.270 nan 0.000 0.471 73 L N 4.190 125.353 121.223 -0.101 0.000 2.397 73 L HA 0.342 4.682 4.340 -0.000 0.000 0.271 73 L C 0.148 176.955 176.870 -0.104 0.000 1.148 73 L CA -0.353 54.410 54.840 -0.129 0.000 0.825 73 L CB 0.555 42.513 42.059 -0.167 0.000 1.117 73 L HN 0.351 nan 8.230 nan 0.000 0.456 74 I N 1.543 122.050 120.570 -0.105 0.000 2.441 74 I HA 0.227 4.397 4.170 -0.000 0.000 0.295 74 I C 0.389 176.469 176.117 -0.061 0.000 0.994 74 I CA -0.234 61.017 61.300 -0.082 0.000 1.144 74 I CB 1.706 39.648 38.000 -0.097 0.000 1.314 74 I HN 0.535 nan 8.210 nan 0.000 0.445 75 S N 3.033 118.705 115.700 -0.046 0.000 2.580 75 S HA 0.349 4.819 4.470 -0.000 0.000 0.274 75 S C 1.465 176.050 174.600 -0.026 0.000 1.329 75 S CA 0.169 58.349 58.200 -0.034 0.000 1.036 75 S CB 1.249 64.433 63.200 -0.028 0.000 0.919 75 S HN 0.876 nan 8.310 nan 0.000 0.515 76 G N 2.865 111.653 108.800 -0.019 0.000 2.505 76 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 76 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 76 G C 1.287 176.179 174.900 -0.013 0.000 1.145 76 G CA 1.150 46.242 45.100 -0.013 0.000 0.761 76 G HN 0.914 nan 8.290 nan 0.000 0.571 77 E N 0.878 121.070 120.200 -0.013 0.000 2.333 77 E HA -0.106 4.244 4.350 -0.000 0.000 0.198 77 E C 1.034 177.628 176.600 -0.009 0.000 1.007 77 E CA 0.822 57.215 56.400 -0.012 0.000 0.845 77 E CB -0.364 29.329 29.700 -0.011 0.000 0.766 77 E HN 0.403 nan 8.360 nan 0.000 0.507 78 N N 0.764 119.457 118.700 -0.011 0.000 2.230 78 N HA 0.058 4.798 4.740 -0.000 0.000 0.202 78 N C 1.458 176.967 175.510 -0.002 0.000 1.119 78 N CA 0.123 53.169 53.050 -0.006 0.000 0.851 78 N CB 0.934 39.415 38.487 -0.010 0.000 0.990 78 N HN 0.029 nan 8.380 nan 0.000 0.497 79 V N 1.073 120.985 119.914 -0.003 0.000 2.407 79 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 79 V C 2.363 178.468 176.094 0.019 0.000 1.055 79 V CA 1.335 63.639 62.300 0.006 0.000 1.049 79 V CB -0.204 31.623 31.823 0.007 0.000 0.662 79 V HN 0.212 nan 8.190 nan 0.000 0.455 80 R N 0.271 120.776 120.500 0.009 0.000 2.073 80 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 80 R C 2.364 178.670 176.300 0.010 0.000 1.134 80 R CA 1.925 58.029 56.100 0.007 0.000 0.952 80 R CB -1.502 28.798 30.300 -0.001 0.000 0.850 80 R HN 0.505 nan 8.270 nan 0.000 0.433 81 T N 2.366 116.930 114.554 0.017 0.000 2.777 81 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 81 T C 1.879 176.607 174.700 0.047 0.000 1.040 81 T CA 1.006 63.122 62.100 0.027 0.000 1.141 81 T CB -0.288 68.598 68.868 0.030 0.000 0.868 81 T HN 0.069 nan 8.240 nan 0.000 0.444 82 L N 1.455 122.712 121.223 0.057 0.000 1.971 82 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 82 L C 2.427 179.414 176.870 0.194 0.000 1.072 82 L CA 1.873 56.781 54.840 0.113 0.000 0.758 82 L CB -0.698 41.393 42.059 0.052 0.000 0.889 82 L HN 0.252 nan 8.230 nan 0.000 0.433 83 Q N -0.870 119.007 119.800 0.128 0.000 2.230 83 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 83 Q C 2.194 178.163 176.000 -0.052 0.000 0.963 83 Q CA 1.176 57.031 55.803 0.087 0.000 0.866 83 Q CB -0.297 28.482 28.738 0.067 0.000 0.931 83 Q HN 0.709 nan 8.270 nan 0.000 0.452 84 A N 1.855 124.627 122.820 -0.080 0.000 1.898 84 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 84 A C 1.769 179.115 177.584 -0.396 0.000 1.181 84 A CA 1.352 53.243 52.037 -0.242 0.000 0.620 84 A CB -0.332 18.571 19.000 -0.161 0.000 0.819 84 A HN 0.261 nan 8.150 nan 0.000 0.442 85 N N -0.217 118.416 118.700 -0.112 0.000 2.396 85 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 85 N C 1.516 177.057 175.510 0.051 0.000 1.028 85 N CA 1.105 54.180 53.050 0.042 0.000 0.893 85 N CB -0.452 38.132 38.487 0.162 0.000 0.967 85 N HN 0.450 nan 8.380 nan 0.000 0.440 86 L N 0.882 122.068 121.223 -0.061 0.000 1.989 86 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 86 L C 1.942 178.524 176.870 -0.479 0.000 1.071 86 L CA 1.486 56.121 54.840 -0.340 0.000 0.749 86 L CB -0.753 40.946 42.059 -0.599 0.000 0.890 86 L HN -0.116 nan 8.230 nan 0.000 0.431 87 V N -0.259 119.436 119.914 -0.365 0.000 2.343 87 V HA -0.343 3.777 4.120 -0.000 0.000 0.247 87 V C 2.400 178.343 176.094 -0.253 0.000 1.051 87 V CA 2.225 64.323 62.300 -0.336 0.000 1.036 87 V CB -1.027 30.621 31.823 -0.291 0.000 0.654 87 V HN 0.629 nan 8.190 nan 0.000 0.451 88 H N -0.407 118.560 119.070 -0.171 0.000 2.293 88 H HA -0.188 4.368 4.556 -0.000 0.000 0.300 88 H C 2.374 177.641 175.328 -0.101 0.000 1.082 88 H CA 1.719 57.700 56.048 -0.113 0.000 1.308 88 H CB -0.230 29.513 29.762 -0.031 0.000 1.375 88 H HN 0.666 nan 8.280 nan 0.000 0.495 89 H N 0.594 119.690 119.070 0.043 0.000 2.457 89 H HA -0.053 4.502 4.556 -0.000 0.000 0.294 89 H C 1.891 177.191 175.328 -0.047 0.000 1.064 89 H CA 0.882 56.927 56.048 -0.004 0.000 1.330 89 H CB -0.241 29.520 29.762 -0.001 0.000 1.395 89 H HN 0.332 nan 8.280 nan 0.000 0.541 90 L N 0.965 121.857 121.223 -0.552 0.000 2.313 90 L HA 0.115 4.455 4.340 -0.000 0.000 0.214 90 L C 1.917 178.638 176.870 -0.247 0.000 1.119 90 L CA 0.395 54.986 54.840 -0.415 0.000 0.809 90 L CB -0.100 41.646 42.059 -0.523 0.000 0.933 90 L HN 0.276 nan 8.230 nan 0.000 0.449 91 A N 0.009 122.649 122.820 -0.301 0.000 3.029 91 A HA 0.145 4.465 4.320 -0.000 0.000 0.251 91 A C 1.243 178.786 177.584 -0.069 0.000 1.749 91 A CA 0.318 52.044 52.037 -0.519 0.000 1.386 91 A CB -0.644 17.993 19.000 -0.605 0.000 1.043 91 A HN 0.367 nan 8.150 nan 0.000 0.638 92 S N -0.618 115.140 115.700 0.096 0.000 2.602 92 S HA 0.368 4.838 4.470 -0.000 0.000 0.240 92 S C 0.893 175.595 174.600 0.170 0.000 0.992 92 S CA 0.093 58.371 58.200 0.130 0.000 0.971 92 S CB 0.053 63.297 63.200 0.073 0.000 0.855 92 S HN 0.756 nan 8.310 nan 0.000 0.481 93 G N 1.545 110.546 108.800 0.335 0.000 2.544 93 G HA2 0.498 4.458 3.960 -0.000 0.000 0.242 93 G HA3 0.498 4.458 3.960 -0.000 0.000 0.242 93 G C -0.117 174.751 174.900 -0.054 0.000 1.247 93 G CA 0.135 45.275 45.100 0.067 0.000 0.840 93 G HN 1.035 nan 8.290 nan 0.000 0.578 94 V N -1.032 118.845 119.914 -0.061 0.000 3.165 94 V HA 1.033 5.153 4.120 -0.000 0.000 0.309 94 V C 0.568 176.626 176.094 -0.060 0.000 1.267 94 V CA -0.093 62.172 62.300 -0.058 0.000 1.067 94 V CB 1.097 32.908 31.823 -0.020 0.000 1.082 94 V HN 2.570 nan 8.190 nan 0.000 0.451 95 G N 0.376 109.149 108.800 -0.045 0.000 2.712 95 G HA2 0.067 4.027 3.960 -0.000 0.000 0.683 95 G HA3 0.067 4.027 3.960 -0.000 0.000 0.683 95 G C -2.767 172.108 174.900 -0.041 0.000 1.320 95 G CA -0.306 44.773 45.100 -0.035 0.000 0.847 95 G HN 1.119 nan 8.290 nan 0.000 0.553 96 P HA 0.389 nan 4.420 nan 0.000 0.267 96 P C 0.873 178.156 177.300 -0.028 0.000 1.200 96 P CA 0.459 63.548 63.100 -0.019 0.000 0.772 96 P CB 0.728 32.425 31.700 -0.004 0.000 0.855 97 V N 1.511 121.409 119.914 -0.026 0.000 2.963 97 V HA 0.130 4.250 4.120 -0.000 0.000 0.306 97 V C 0.666 176.757 176.094 -0.006 0.000 1.077 97 V CA -0.613 61.668 62.300 -0.031 0.000 1.124 97 V CB -0.548 31.262 31.823 -0.022 0.000 0.987 97 V HN 0.293 nan 8.190 nan 0.000 0.487 98 L N 3.003 124.219 121.223 -0.012 0.000 2.483 98 L HA 0.240 4.580 4.340 -0.000 0.000 0.276 98 L C 0.698 177.590 176.870 0.038 0.000 1.213 98 L CA -0.179 54.666 54.840 0.008 0.000 0.843 98 L CB 0.135 42.190 42.059 -0.008 0.000 1.107 98 L HN 1.031 nan 8.230 nan 0.000 0.487 99 D N 0.100 120.538 120.400 0.063 0.000 2.368 99 D HA -0.124 4.516 4.640 -0.000 0.000 0.240 99 D C 0.722 177.115 176.300 0.155 0.000 1.169 99 D CA -0.413 53.657 54.000 0.116 0.000 0.906 99 D CB 0.504 41.378 40.800 0.123 0.000 1.187 99 D HN 0.544 nan 8.370 nan 0.000 0.435 100 W N 1.265 122.571 121.300 0.010 0.000 2.290 100 W HA -0.312 4.348 4.660 -0.000 0.000 0.328 100 W C 2.213 178.729 176.519 -0.005 0.000 1.272 100 W CA 2.863 60.213 57.345 0.009 0.000 1.262 100 W CB -0.870 28.596 29.460 0.011 0.000 1.151 100 W HN 0.456 nan 8.180 nan 0.000 0.473 101 T N -0.273 114.401 114.554 0.200 0.000 2.708 101 T HA -0.223 4.127 4.350 -0.000 0.000 0.266 101 T C 1.571 176.195 174.700 -0.127 0.000 1.037 101 T CA 2.415 64.484 62.100 -0.051 0.000 1.146 101 T CB -0.950 67.986 68.868 0.114 0.000 0.865 101 T HN 0.195 nan 8.240 nan 0.000 0.435 102 T N 1.965 116.505 114.554 -0.023 0.000 2.746 102 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 102 T C 2.422 177.078 174.700 -0.073 0.000 1.039 102 T CA 1.110 63.195 62.100 -0.025 0.000 1.142 102 T CB -0.556 68.325 68.868 0.022 0.000 0.866 102 T HN 0.433 nan 8.240 nan 0.000 0.444 103 A N 1.866 124.631 122.820 -0.092 0.000 1.902 103 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 103 A C 2.377 179.860 177.584 -0.168 0.000 1.181 103 A CA 1.543 53.513 52.037 -0.112 0.000 0.623 103 A CB -0.501 18.438 19.000 -0.103 0.000 0.818 103 A HN 0.421 nan 8.150 nan 0.000 0.443 104 R N -0.533 119.798 120.500 -0.282 0.000 2.092 104 R HA -0.009 4.331 4.340 -0.000 0.000 0.231 104 R C 2.429 178.601 176.300 -0.214 0.000 1.119 104 R CA 1.071 56.983 56.100 -0.313 0.000 0.970 104 R CB -0.452 29.519 30.300 -0.548 0.000 0.864 104 R HN 0.512 nan 8.270 nan 0.000 0.440 105 A N 1.232 123.942 122.820 -0.184 0.000 1.933 105 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 105 A C 2.138 179.670 177.584 -0.087 0.000 1.175 105 A CA 1.489 53.453 52.037 -0.121 0.000 0.628 105 A CB -0.480 18.475 19.000 -0.076 0.000 0.814 105 A HN 0.347 nan 8.150 nan 0.000 0.444 106 M N -0.272 119.280 119.600 -0.080 0.000 2.086 106 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 106 M C 1.914 178.176 176.300 -0.063 0.000 1.067 106 M CA 2.053 57.318 55.300 -0.059 0.000 1.116 106 M CB -0.260 32.310 32.600 -0.051 0.000 1.348 106 M HN 0.194 nan 8.290 nan 0.000 0.407 107 V N 1.117 120.983 119.914 -0.081 0.000 2.287 107 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 107 V C 2.435 178.489 176.094 -0.067 0.000 1.053 107 V CA 1.857 64.115 62.300 -0.071 0.000 1.027 107 V CB -1.018 30.755 31.823 -0.084 0.000 0.646 107 V HN 0.599 nan 8.190 nan 0.000 0.447 108 L N 0.923 122.097 121.223 -0.083 0.000 2.046 108 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 108 L C 2.448 179.281 176.870 -0.061 0.000 1.077 108 L CA 2.375 57.170 54.840 -0.075 0.000 0.747 108 L CB -1.003 41.001 42.059 -0.091 0.000 0.896 108 L HN 0.220 nan 8.230 nan 0.000 0.432 109 A N -0.413 122.373 122.820 -0.057 0.000 1.908 109 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 109 A C 2.469 180.030 177.584 -0.037 0.000 1.181 109 A CA 1.884 53.893 52.037 -0.047 0.000 0.627 109 A CB -0.623 18.353 19.000 -0.040 0.000 0.818 109 A HN 0.491 nan 8.150 nan 0.000 0.445 110 R N -0.659 119.821 120.500 -0.033 0.000 2.075 110 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 110 R C 1.937 178.224 176.300 -0.022 0.000 1.126 110 R CA 1.557 57.643 56.100 -0.022 0.000 0.963 110 R CB -0.657 29.630 30.300 -0.022 0.000 0.858 110 R HN 0.441 nan 8.270 nan 0.000 0.435 111 L N -0.140 121.065 121.223 -0.030 0.000 2.046 111 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 111 L C 1.912 178.765 176.870 -0.028 0.000 1.077 111 L CA 1.603 56.426 54.840 -0.029 0.000 0.747 111 L CB -0.461 41.576 42.059 -0.036 0.000 0.896 111 L HN 0.070 nan 8.230 nan 0.000 0.432 112 V N -1.024 118.867 119.914 -0.037 0.000 2.343 112 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 112 V C 2.767 178.844 176.094 -0.029 0.000 1.051 112 V CA 1.810 64.086 62.300 -0.040 0.000 1.036 112 V CB -0.842 30.945 31.823 -0.060 0.000 0.654 112 V HN 0.649 nan 8.190 nan 0.000 0.451 113 S N -0.268 115.418 115.700 -0.024 0.000 2.356 113 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 113 S C 1.928 176.527 174.600 -0.002 0.000 1.032 113 S CA 1.804 59.996 58.200 -0.014 0.000 1.005 113 S CB -0.369 62.826 63.200 -0.009 0.000 0.867 113 S HN 0.521 nan 8.310 nan 0.000 0.449 114 I N 1.713 122.284 120.570 0.000 0.000 2.286 114 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 114 I C 2.695 178.816 176.117 0.006 0.000 1.115 114 I CA 1.040 62.346 61.300 0.010 0.000 1.392 114 I CB -0.479 37.524 38.000 0.004 0.000 1.065 114 I HN 0.381 nan 8.210 nan 0.000 0.418 115 A N 0.104 122.922 122.820 -0.004 0.000 2.131 115 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 115 A C 2.104 179.689 177.584 0.002 0.000 1.158 115 A CA 1.231 53.266 52.037 -0.005 0.000 0.665 115 A CB -0.334 18.659 19.000 -0.012 0.000 0.795 115 A HN 0.417 nan 8.150 nan 0.000 0.460 116 Q N -1.225 118.578 119.800 0.005 0.000 2.436 116 Q HA 0.090 4.430 4.340 -0.000 0.000 0.209 116 Q C 1.216 177.226 176.000 0.016 0.000 0.965 116 Q CA 0.815 56.623 55.803 0.009 0.000 0.910 116 Q CB -0.513 28.228 28.738 0.006 0.000 0.980 116 Q HN 1.078 nan 8.270 nan 0.000 0.491 117 G N 0.504 109.317 108.800 0.022 0.000 2.248 117 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.263 117 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.263 117 G C 0.424 175.358 174.900 0.057 0.000 1.082 117 G CA 0.380 45.499 45.100 0.032 0.000 0.863 117 G HN 0.525 nan 8.290 nan 0.000 0.495 118 A N -1.060 121.806 122.820 0.077 0.000 2.661 118 A HA 0.723 5.043 4.320 -0.000 0.000 0.278 118 A C 1.624 179.333 177.584 0.208 0.000 1.090 118 A CA 1.373 53.483 52.037 0.122 0.000 0.969 118 A CB 0.263 19.295 19.000 0.053 0.000 1.240 118 A HN 0.783 nan 8.150 nan 0.000 0.578 119 S N -1.093 114.720 115.700 0.189 0.000 2.502 119 S HA 0.363 4.833 4.470 -0.000 0.000 0.215 119 S C 1.555 176.321 174.600 0.277 0.000 1.009 119 S CA 0.750 59.091 58.200 0.236 0.000 0.908 119 S CB 0.403 63.673 63.200 0.117 0.000 0.801 119 S HN 1.684 nan 8.310 nan 0.000 0.505 120 G N 1.856 110.736 108.800 0.133 0.000 2.162 120 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 120 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 120 G C 0.223 175.103 174.900 -0.033 0.000 0.976 120 G CA 0.026 45.098 45.100 -0.047 0.000 0.655 120 G HN 0.890 nan 8.290 nan 0.000 0.533 121 A N 0.502 123.325 122.820 0.005 0.000 2.520 121 A HA 0.600 4.920 4.320 -0.000 0.000 0.245 121 A C 1.184 178.723 177.584 -0.074 0.000 1.072 121 A CA 1.050 53.074 52.037 -0.021 0.000 0.761 121 A CB 0.166 19.161 19.000 -0.008 0.000 1.004 121 A HN 2.051 nan 8.150 nan 0.000 0.499 122 S N 1.881 117.502 115.700 -0.132 0.000 2.600 122 S HA 0.145 4.615 4.470 -0.000 0.000 0.265 122 S C 0.722 175.214 174.600 -0.180 0.000 1.325 122 S CA 0.230 58.281 58.200 -0.249 0.000 1.002 122 S CB 0.531 63.382 63.200 -0.582 0.000 0.921 122 S HN 0.712 nan 8.310 nan 0.000 0.554 123 E N 1.460 121.553 120.200 -0.178 0.000 2.118 123 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 123 E C 2.145 178.688 176.600 -0.094 0.000 0.992 123 E CA 1.133 57.469 56.400 -0.107 0.000 0.804 123 E CB -0.753 28.897 29.700 -0.083 0.000 0.741 123 E HN 0.886 nan 8.360 nan 0.000 0.458 124 G N 0.723 109.449 108.800 -0.124 0.000 2.402 124 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 124 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 124 G C 1.646 176.513 174.900 -0.054 0.000 1.162 124 G CA 1.205 46.261 45.100 -0.073 0.000 0.777 124 G HN 0.170 nan 8.290 nan 0.000 0.539 125 T N 1.304 115.813 114.554 -0.074 0.000 2.746 125 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 125 T C 2.375 177.056 174.700 -0.033 0.000 1.039 125 T CA 0.925 62.999 62.100 -0.042 0.000 1.142 125 T CB -0.145 68.696 68.868 -0.044 0.000 0.866 125 T HN 0.242 nan 8.240 nan 0.000 0.444 126 I N 1.212 121.756 120.570 -0.042 0.000 2.252 126 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 126 I C 2.880 178.982 176.117 -0.026 0.000 1.102 126 I CA 1.001 62.282 61.300 -0.032 0.000 1.385 126 I CB -0.437 37.542 38.000 -0.035 0.000 1.064 126 I HN 0.186 nan 8.210 nan 0.000 0.414 127 A N 0.758 123.562 122.820 -0.027 0.000 1.933 127 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 127 A C 2.332 179.910 177.584 -0.010 0.000 1.175 127 A CA 1.311 53.337 52.037 -0.019 0.000 0.628 127 A CB -0.398 18.591 19.000 -0.019 0.000 0.814 127 A HN 0.250 nan 8.150 nan 0.000 0.444 128 R N -0.218 120.279 120.500 -0.006 0.000 2.075 128 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 128 R C 2.048 178.354 176.300 0.009 0.000 1.126 128 R CA 1.205 57.310 56.100 0.009 0.000 0.963 128 R CB -1.012 29.297 30.300 0.016 0.000 0.858 128 R HN 0.604 nan 8.270 nan 0.000 0.435 129 L N 0.182 121.403 121.223 -0.004 0.000 2.027 129 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 129 L C 2.503 179.363 176.870 -0.018 0.000 1.074 129 L CA 1.158 55.992 54.840 -0.011 0.000 0.745 129 L CB -0.497 41.550 42.059 -0.020 0.000 0.898 129 L HN 0.064 nan 8.230 nan 0.000 0.433 130 I N -0.022 120.537 120.570 -0.018 0.000 2.226 130 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 130 I C 2.155 178.263 176.117 -0.016 0.000 1.100 130 I CA 1.212 62.500 61.300 -0.021 0.000 1.374 130 I CB -0.429 37.559 38.000 -0.019 0.000 1.057 130 I HN 0.273 nan 8.210 nan 0.000 0.413 131 D N 0.809 121.204 120.400 -0.009 0.000 2.104 131 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 131 D C 2.154 178.453 176.300 -0.003 0.000 0.994 131 D CA 0.976 54.973 54.000 -0.006 0.000 0.830 131 D CB -0.401 40.397 40.800 -0.003 0.000 0.959 131 D HN 0.157 nan 8.370 nan 0.000 0.452 132 L N 0.880 122.108 121.223 0.008 0.000 2.012 132 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 132 L C 2.173 179.033 176.870 -0.016 0.000 1.073 132 L CA 1.474 56.326 54.840 0.021 0.000 0.748 132 L CB -0.913 41.175 42.059 0.048 0.000 0.891 132 L HN 0.102 nan 8.230 nan 0.000 0.431 133 L N 0.094 121.292 121.223 -0.042 0.000 2.131 133 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 133 L C 1.899 178.743 176.870 -0.043 0.000 1.092 133 L CA 0.934 55.729 54.840 -0.074 0.000 0.759 133 L CB -0.555 41.458 42.059 -0.076 0.000 0.903 133 L HN 0.379 nan 8.230 nan 0.000 0.435 134 N N -0.509 118.181 118.700 -0.017 0.000 2.398 134 N HA -0.010 4.730 4.740 -0.000 0.000 0.188 134 N C 0.833 176.356 175.510 0.022 0.000 1.122 134 N CA 0.335 53.386 53.050 0.001 0.000 0.866 134 N CB 0.175 38.661 38.487 -0.002 0.000 0.970 134 N HN 0.333 nan 8.380 nan 0.000 0.462 135 S N -0.113 115.603 115.700 0.026 0.000 2.713 135 S HA 0.303 4.773 4.470 -0.000 0.000 0.277 135 S C 0.737 175.414 174.600 0.128 0.000 1.168 135 S CA -0.481 57.748 58.200 0.048 0.000 0.994 135 S CB 1.472 64.683 63.200 0.019 0.000 1.054 135 S HN -0.084 nan 8.310 nan 0.000 0.555 136 E N 0.121 120.418 120.200 0.162 0.000 2.444 136 E HA 0.354 4.704 4.350 -0.000 0.000 0.191 136 E C -0.168 176.724 176.600 0.486 0.000 1.041 136 E CA 0.004 56.586 56.400 0.303 0.000 0.883 136 E CB -0.236 29.544 29.700 0.133 0.000 1.024 136 E HN 0.504 nan 8.360 nan 0.000 0.470 137 L N -0.231 121.207 121.223 0.359 0.000 2.304 137 L HA 0.779 5.119 4.340 -0.000 0.000 0.268 137 L C -0.059 176.963 176.870 0.253 0.000 1.010 137 L CA -1.137 53.948 54.840 0.410 0.000 0.813 137 L CB 1.606 43.773 42.059 0.180 0.000 1.315 137 L HN -0.170 nan 8.230 nan 0.000 0.445 138 A N 0.839 123.826 122.820 0.279 0.000 2.549 138 A HA 0.822 5.142 4.320 -0.000 0.000 0.297 138 A C -2.832 174.837 177.584 0.142 0.000 1.061 138 A CA -1.391 50.658 52.037 0.021 0.000 0.690 138 A CB 1.899 20.722 19.000 -0.295 0.000 1.287 138 A HN 0.368 nan 8.150 nan 0.000 0.402 139 P HA 0.390 nan 4.420 nan 0.000 0.275 139 P C -0.363 176.852 177.300 -0.143 0.000 1.228 139 P CA 0.080 63.033 63.100 -0.246 0.000 0.786 139 P CB 1.320 32.880 31.700 -0.232 0.000 0.927 140 A N 3.373 126.088 122.820 -0.175 0.000 2.316 140 A HA 0.506 4.826 4.320 -0.000 0.000 0.311 140 A C 0.202 177.721 177.584 -0.108 0.000 1.339 140 A CA -0.459 51.526 52.037 -0.086 0.000 0.960 140 A CB -0.427 18.540 19.000 -0.057 0.000 1.152 140 A HN 0.441 nan 8.150 nan 0.000 0.547 141 V N 1.069 120.925 119.914 -0.098 0.000 2.588 141 V HA 0.741 4.861 4.120 -0.000 0.000 0.304 141 V C -2.815 173.181 176.094 -0.164 0.000 1.042 141 V CA -2.597 59.623 62.300 -0.134 0.000 0.877 141 V CB 1.830 33.610 31.823 -0.071 0.000 0.996 141 V HN 0.656 nan 8.190 nan 0.000 0.425 142 P HA 0.114 nan 4.420 nan 0.000 0.268 142 P C 0.841 178.064 177.300 -0.128 0.000 1.205 142 P CA 0.389 63.358 63.100 -0.218 0.000 0.771 142 P CB 1.330 32.833 31.700 -0.328 0.000 0.858 143 S N 2.674 118.330 115.700 -0.074 0.000 2.461 143 S HA 0.009 4.479 4.470 -0.000 0.000 0.228 143 S C 0.838 175.422 174.600 -0.026 0.000 1.005 143 S CA 0.161 58.338 58.200 -0.038 0.000 0.942 143 S CB -0.117 63.073 63.200 -0.017 0.000 0.776 143 S HN 0.424 nan 8.310 nan 0.000 0.514 144 R N -0.324 120.157 120.500 -0.032 0.000 2.787 144 R HA 0.635 4.975 4.340 -0.000 0.000 0.271 144 R C 0.724 177.019 176.300 -0.007 0.000 0.993 144 R CA -0.099 55.992 56.100 -0.014 0.000 0.993 144 R CB 1.561 31.854 30.300 -0.011 0.000 1.155 144 R HN 0.296 nan 8.270 nan 0.000 0.486 145 G N 0.147 108.952 108.800 0.008 0.000 2.551 145 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.186 145 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.186 145 G C 0.049 174.963 174.900 0.024 0.000 1.002 145 G CA -0.038 45.075 45.100 0.022 0.000 0.723 145 G HN 0.606 nan 8.290 nan 0.000 0.481 146 T N 0.599 115.165 114.554 0.020 0.000 2.902 146 T HA 0.539 4.889 4.350 -0.000 0.000 0.283 146 T C 1.399 176.114 174.700 0.025 0.000 1.009 146 T CA 0.434 62.545 62.100 0.019 0.000 1.051 146 T CB 1.670 70.547 68.868 0.015 0.000 0.999 146 T HN 1.133 nan 8.240 nan 0.000 0.474 147 V N 1.313 121.243 119.914 0.027 0.000 3.444 147 V HA 0.609 4.729 4.120 -0.000 0.000 0.308 147 V C 1.169 177.291 176.094 0.047 0.000 1.371 147 V CA 0.191 62.514 62.300 0.038 0.000 1.141 147 V CB -1.302 30.545 31.823 0.039 0.000 1.037 147 V HN 1.374 nan 8.190 nan 0.000 0.433 153 L N -0.384 120.808 121.223 -0.051 0.000 2.046 153 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 153 L C 2.364 179.183 176.870 -0.085 0.000 1.077 153 L CA 1.350 56.138 54.840 -0.087 0.000 0.747 153 L CB -0.527 41.458 42.059 -0.124 0.000 0.896 153 L HN 0.094 nan 8.230 nan 0.000 0.432 154 T N 0.487 115.016 114.554 -0.043 0.000 2.674 154 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 154 T C -0.453 174.306 174.700 0.099 0.000 1.039 154 T CA 1.651 63.754 62.100 0.006 0.000 1.150 154 T CB -1.019 67.880 68.868 0.051 0.000 0.864 154 T HN 0.295 nan 8.240 nan 0.000 0.427 155 P HA 0.019 nan 4.420 nan 0.000 0.218 155 P C 1.558 178.885 177.300 0.045 0.000 1.149 155 P CA 0.956 64.102 63.100 0.078 0.000 0.817 155 P CB -0.210 31.500 31.700 0.017 0.000 0.785 156 L N -0.666 120.554 121.223 -0.005 0.000 2.141 156 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 156 L C 2.774 179.605 176.870 -0.064 0.000 1.094 156 L CA 1.278 56.097 54.840 -0.034 0.000 0.763 156 L CB -1.022 41.011 42.059 -0.044 0.000 0.908 156 L HN -0.057 nan 8.230 nan 0.000 0.437 157 A N -0.872 121.885 122.820 -0.104 0.000 1.898 157 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 157 A C 2.132 179.600 177.584 -0.194 0.000 1.181 157 A CA 1.263 53.187 52.037 -0.190 0.000 0.620 157 A CB -0.714 18.114 19.000 -0.287 0.000 0.819 157 A HN 0.395 nan 8.150 nan 0.000 0.442 158 H N -1.096 117.919 119.070 -0.091 0.000 2.387 158 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 158 H C 2.107 177.368 175.328 -0.112 0.000 1.090 158 H CA 1.791 57.785 56.048 -0.089 0.000 1.332 158 H CB -0.304 29.410 29.762 -0.081 0.000 1.386 158 H HN 0.604 nan 8.280 nan 0.000 0.516 159 M N 0.600 120.201 119.600 0.002 0.000 2.080 159 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 159 M C 2.144 178.397 176.300 -0.079 0.000 1.068 159 M CA 1.417 56.680 55.300 -0.062 0.000 1.109 159 M CB -0.166 32.403 32.600 -0.052 0.000 1.342 159 M HN -0.003 nan 8.290 nan 0.000 0.405 160 V N 1.331 121.201 119.914 -0.072 0.000 2.287 160 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 160 V C 2.463 178.519 176.094 -0.064 0.000 1.053 160 V CA 1.913 64.172 62.300 -0.067 0.000 1.027 160 V CB -0.776 30.996 31.823 -0.086 0.000 0.646 160 V HN 0.553 nan 8.190 nan 0.000 0.447 161 L N -0.923 120.254 121.223 -0.078 0.000 2.042 161 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 161 L C 2.676 179.508 176.870 -0.063 0.000 1.076 161 L CA 1.711 56.519 54.840 -0.054 0.000 0.749 161 L CB -0.785 41.242 42.059 -0.052 0.000 0.893 161 L HN 0.408 nan 8.230 nan 0.000 0.432 162 C N -0.046 119.172 119.300 -0.138 0.000 2.413 162 C HA -0.177 4.283 4.460 -0.000 0.000 0.277 162 C C 2.692 177.574 174.990 -0.180 0.000 1.228 162 C CA 0.529 59.353 59.018 -0.323 0.000 1.731 162 C CB -0.915 26.485 27.740 -0.567 0.000 2.042 162 C HN 0.441 nan 8.230 nan 0.000 0.468 163 L N 0.340 121.526 121.223 -0.062 0.000 2.353 163 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 163 L C 2.452 179.393 176.870 0.119 0.000 1.133 163 L CA 1.332 56.238 54.840 0.111 0.000 0.798 163 L CB -0.669 41.424 42.059 0.057 0.000 0.922 163 L HN 0.550 nan 8.230 nan 0.000 0.445 164 Q N -0.487 119.352 119.800 0.065 0.000 2.360 164 Q HA 0.114 4.454 4.340 -0.000 0.000 0.202 164 Q C 1.371 177.425 176.000 0.090 0.000 0.915 164 Q CA 0.523 56.364 55.803 0.063 0.000 0.943 164 Q CB 0.612 29.368 28.738 0.030 0.000 1.064 164 Q HN 0.558 nan 8.270 nan 0.000 0.511 165 G N 1.670 110.553 108.800 0.137 0.000 2.141 165 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.242 165 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.242 165 G C 0.528 175.492 174.900 0.107 0.000 0.982 165 G CA 0.021 45.223 45.100 0.171 0.000 0.662 165 G HN 0.303 nan 8.290 nan 0.000 0.527 166 R N 0.079 120.615 120.500 0.061 0.000 2.507 166 R HA 0.470 4.810 4.340 -0.000 0.000 0.298 166 R C 1.027 177.337 176.300 0.017 0.000 0.999 166 R CA 0.504 56.628 56.100 0.041 0.000 1.082 166 R CB 0.846 31.169 30.300 0.038 0.000 1.246 166 R HN 0.514 nan 8.270 nan 0.000 0.553 167 G N -0.351 108.442 108.800 -0.012 0.000 2.692 167 G HA2 0.247 4.207 3.960 -0.000 0.000 0.291 167 G HA3 0.247 4.207 3.960 -0.000 0.000 0.291 167 G C -1.490 173.348 174.900 -0.104 0.000 1.423 167 G CA -0.647 44.417 45.100 -0.060 0.000 0.843 167 G HN -0.126 nan 8.290 nan 0.000 0.486 168 D N -0.580 119.769 120.400 -0.084 0.000 2.360 168 D HA 0.581 5.221 4.640 -0.000 0.000 0.242 168 D C -0.501 175.690 176.300 -0.182 0.000 1.184 168 D CA 0.540 54.523 54.000 -0.028 0.000 0.930 168 D CB 0.859 41.666 40.800 0.013 0.000 1.161 168 D HN 0.098 nan 8.370 nan 0.000 0.447 169 F N -0.562 119.415 119.950 0.044 0.000 2.618 169 F HA 0.540 5.067 4.527 -0.000 0.000 0.332 169 F C -0.233 175.615 175.800 0.080 0.000 1.061 169 F CA -0.884 57.151 58.000 0.059 0.000 0.974 169 F CB 1.189 40.225 39.000 0.059 0.000 1.310 169 F HN -0.059 nan 8.300 nan 0.000 0.491 170 L N 1.324 122.753 121.223 0.344 0.000 2.381 170 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 170 L C -1.183 175.900 176.870 0.354 0.000 0.997 170 L CA -1.061 53.952 54.840 0.288 0.000 0.818 170 L CB 2.004 44.239 42.059 0.293 0.000 1.310 170 L HN 0.595 nan 8.230 nan 0.000 0.416 171 D N 0.630 121.135 120.400 0.175 0.000 2.437 171 D HA 0.249 4.889 4.640 -0.000 0.000 0.259 171 D C 0.802 176.930 176.300 -0.287 0.000 1.118 171 D CA -0.697 53.328 54.000 0.041 0.000 1.017 171 D CB 0.810 41.596 40.800 -0.023 0.000 1.120 171 D HN 0.322 nan 8.370 nan 0.000 0.541 172 R N -0.455 119.607 120.500 -0.730 0.000 2.185 172 R HA -0.128 4.212 4.340 -0.000 0.000 0.247 172 R C 0.495 176.441 176.300 -0.590 0.000 1.159 172 R CA 1.489 56.817 56.100 -1.287 0.000 0.988 172 R CB -0.253 29.405 30.300 -1.070 0.000 0.871 172 R HN 0.539 nan 8.270 nan 0.000 0.458 173 D N -1.261 118.954 120.400 -0.307 0.000 2.349 173 D HA 0.050 4.690 4.640 -0.000 0.000 0.215 173 D C 1.194 177.452 176.300 -0.070 0.000 1.016 173 D CA 1.008 54.914 54.000 -0.155 0.000 0.870 173 D CB 0.785 41.520 40.800 -0.109 0.000 0.917 173 D HN 0.464 nan 8.370 nan 0.000 0.524 174 G N 0.980 109.757 108.800 -0.037 0.000 2.176 174 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.232 174 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.232 174 G C 0.534 175.457 174.900 0.039 0.000 0.986 174 G CA 0.137 45.259 45.100 0.037 0.000 0.643 174 G HN 0.266 nan 8.290 nan 0.000 0.522 175 T N 2.226 116.792 114.554 0.019 0.000 2.870 175 T HA 0.444 4.794 4.350 -0.000 0.000 0.300 175 T C 0.826 175.561 174.700 0.059 0.000 0.989 175 T CA 0.049 62.165 62.100 0.027 0.000 1.139 175 T CB 0.719 69.592 68.868 0.009 0.000 0.920 175 T HN 0.408 nan 8.240 nan 0.000 0.537 176 R N 2.624 123.158 120.500 0.058 0.000 2.357 176 R HA 0.571 4.910 4.340 -0.000 0.000 0.296 176 R C -0.484 175.867 176.300 0.084 0.000 1.052 176 R CA -0.523 55.623 56.100 0.078 0.000 0.988 176 R CB 0.706 31.040 30.300 0.057 0.000 1.025 176 R HN 0.497 nan 8.270 nan 0.000 0.469 177 L N 1.960 123.258 121.223 0.126 0.000 2.381 177 L HA 0.327 4.667 4.340 -0.000 0.000 0.268 177 L C -0.305 176.663 176.870 0.163 0.000 0.997 177 L CA -1.273 53.643 54.840 0.127 0.000 0.818 177 L CB 2.022 44.160 42.059 0.132 0.000 1.310 177 L HN 0.664 nan 8.230 nan 0.000 0.416 178 D N 0.971 121.446 120.400 0.125 0.000 2.371 178 D HA 0.138 4.778 4.640 -0.000 0.000 0.242 178 D C 1.295 177.722 176.300 0.212 0.000 1.218 178 D CA -0.055 54.023 54.000 0.131 0.000 0.945 178 D CB 0.859 41.709 40.800 0.083 0.000 1.137 178 D HN 0.576 nan 8.370 nan 0.000 0.464 179 G N -0.092 108.832 108.800 0.206 0.000 2.513 179 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 179 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 179 G C 1.497 176.537 174.900 0.234 0.000 1.160 179 G CA 1.671 46.949 45.100 0.298 0.000 0.767 179 G HN 0.692 nan 8.290 nan 0.000 0.571 180 A N 0.740 123.636 122.820 0.126 0.000 1.877 180 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 180 A C 2.217 179.819 177.584 0.031 0.000 1.186 180 A CA 2.318 54.396 52.037 0.068 0.000 0.620 180 A CB -0.510 18.519 19.000 0.048 0.000 0.822 180 A HN 0.434 nan 8.150 nan 0.000 0.443 181 E N 0.172 120.395 120.200 0.039 0.000 2.110 181 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 181 E C 1.927 178.489 176.600 -0.064 0.000 0.988 181 E CA 1.699 58.101 56.400 0.003 0.000 0.804 181 E CB -0.838 28.879 29.700 0.028 0.000 0.745 181 E HN 0.397 nan 8.360 nan 0.000 0.458 182 G N 0.753 109.502 108.800 -0.085 0.000 2.421 182 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 182 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 182 G C 1.620 176.151 174.900 -0.616 0.000 1.171 182 G CA 0.907 45.716 45.100 -0.486 0.000 0.775 182 G HN 0.315 nan 8.290 nan 0.000 0.543 183 L N -0.168 120.825 121.223 -0.383 0.000 2.079 183 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 183 L C 2.928 179.704 176.870 -0.156 0.000 1.081 183 L CA 1.221 55.922 54.840 -0.232 0.000 0.752 183 L CB -0.383 41.645 42.059 -0.052 0.000 0.896 183 L HN 0.213 nan 8.230 nan 0.000 0.433 184 R N 0.496 120.926 120.500 -0.116 0.000 2.064 184 R HA -0.179 4.161 4.340 -0.000 0.000 0.228 184 R C 2.543 178.791 176.300 -0.087 0.000 1.144 184 R CA 1.572 57.627 56.100 -0.075 0.000 0.932 184 R CB -0.222 30.050 30.300 -0.046 0.000 0.833 184 R HN 0.146 nan 8.270 nan 0.000 0.429 185 R N -0.431 120.009 120.500 -0.101 0.000 2.103 185 R HA -0.113 4.227 4.340 -0.000 0.000 0.242 185 R C 1.880 178.123 176.300 -0.095 0.000 1.142 185 R CA 1.924 57.973 56.100 -0.085 0.000 0.960 185 R CB -0.552 29.702 30.300 -0.078 0.000 0.858 185 R HN 0.436 nan 8.270 nan 0.000 0.439 186 G N -0.322 108.385 108.800 -0.155 0.000 2.920 186 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.208 186 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.208 186 G C -0.205 174.639 174.900 -0.093 0.000 1.159 186 G CA -0.122 44.901 45.100 -0.129 0.000 0.784 186 G HN 0.377 nan 8.290 nan 0.000 0.535 187 R N -1.098 119.350 120.500 -0.087 0.000 3.205 187 R HA -0.138 4.202 4.340 -0.000 0.000 0.249 187 R C -0.642 175.626 176.300 -0.054 0.000 0.937 187 R CA 0.256 56.322 56.100 -0.057 0.000 0.641 187 R CB -2.261 28.017 30.300 -0.037 0.000 1.114 187 R HN 0.341 nan 8.270 nan 0.000 0.451 188 L N 0.483 121.662 121.223 -0.074 0.000 2.330 188 L HA 0.435 4.775 4.340 -0.000 0.000 0.271 188 L C 0.612 177.469 176.870 -0.022 0.000 1.013 188 L CA -1.170 53.640 54.840 -0.050 0.000 0.816 188 L CB 1.524 43.538 42.059 -0.076 0.000 1.287 188 L HN 0.026 nan 8.230 nan 0.000 0.435 189 Q N 2.262 122.062 119.800 0.000 0.000 2.245 189 Q HA 0.406 4.746 4.340 -0.000 0.000 0.256 189 Q C -2.360 173.659 176.000 0.032 0.000 0.942 189 Q CA -1.941 53.869 55.803 0.012 0.000 0.896 189 Q CB 1.638 30.383 28.738 0.011 0.000 1.272 189 Q HN 0.298 nan 8.270 nan 0.000 0.442 190 P HA 0.010 nan 4.420 nan 0.000 0.271 190 P C -0.228 177.100 177.300 0.046 0.000 1.216 190 P CA -0.536 62.597 63.100 0.054 0.000 0.771 190 P CB 0.606 32.335 31.700 0.049 0.000 0.864 191 L N 3.260 124.513 121.223 0.051 0.000 2.499 191 L HA 0.159 4.498 4.340 -0.000 0.000 0.273 191 L C 0.046 176.936 176.870 0.033 0.000 1.195 191 L CA 0.785 55.646 54.840 0.036 0.000 0.882 191 L CB -0.538 41.539 42.059 0.030 0.000 1.133 191 L HN 0.306 nan 8.230 nan 0.000 0.483 192 D N 4.989 125.412 120.400 0.038 0.000 2.425 192 D HA 0.219 4.859 4.640 -0.000 0.000 0.240 192 D C -0.071 176.270 176.300 0.068 0.000 1.080 192 D CA -0.237 53.794 54.000 0.051 0.000 0.836 192 D CB 1.034 41.873 40.800 0.065 0.000 1.125 192 D HN 0.667 nan 8.370 nan 0.000 0.525 193 L N 3.191 124.445 121.223 0.052 0.000 2.848 193 L HA 0.059 4.399 4.340 -0.000 0.000 0.240 193 L C 2.009 178.921 176.870 0.070 0.000 1.232 193 L CA -0.125 54.751 54.840 0.060 0.000 1.031 193 L CB 0.030 42.101 42.059 0.020 0.000 1.338 193 L HN 0.351 nan 8.230 nan 0.000 0.509 194 S N -1.984 113.760 115.700 0.072 0.000 2.440 194 S HA -0.222 4.248 4.470 -0.000 0.000 0.238 194 S C 1.464 176.025 174.600 -0.065 0.000 1.010 194 S CA 1.021 59.213 58.200 -0.014 0.000 0.972 194 S CB -0.451 62.706 63.200 -0.073 0.000 0.774 194 S HN 0.527 nan 8.310 nan 0.000 0.501 195 H N 1.505 120.569 119.070 -0.010 0.000 2.556 195 H HA 0.353 4.909 4.556 -0.000 0.000 0.268 195 H C 0.592 175.911 175.328 -0.014 0.000 0.996 195 H CA 0.460 56.499 56.048 -0.016 0.000 1.157 195 H CB -0.182 29.567 29.762 -0.021 0.000 1.355 195 H HN 0.375 nan 8.280 nan 0.000 0.597 196 R N 0.913 121.465 120.500 0.086 0.000 3.531 196 R HA -0.130 4.210 4.340 -0.000 0.000 0.280 196 R C -0.783 175.563 176.300 0.076 0.000 1.130 196 R CA 0.824 56.962 56.100 0.063 0.000 0.757 196 R CB -1.762 28.562 30.300 0.041 0.000 1.218 196 R HN 0.540 nan 8.270 nan 0.000 0.454 197 D N -1.152 119.296 120.400 0.080 0.000 2.615 197 D HA 0.233 4.873 4.640 -0.000 0.000 0.236 197 D C 1.185 177.523 176.300 0.064 0.000 1.233 197 D CA 0.299 54.341 54.000 0.070 0.000 0.829 197 D CB 0.372 41.196 40.800 0.040 0.000 1.024 197 D HN 0.286 nan 8.370 nan 0.000 0.490 198 A N 0.339 123.195 122.820 0.060 0.000 1.972 198 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 198 A C 1.911 179.519 177.584 0.039 0.000 1.169 198 A CA 0.742 52.796 52.037 0.029 0.000 0.635 198 A CB -0.456 18.548 19.000 0.007 0.000 0.810 198 A HN 0.282 nan 8.150 nan 0.000 0.446 199 L N -0.695 120.586 121.223 0.096 0.000 2.551 199 L HA 0.005 4.345 4.340 -0.000 0.000 0.228 199 L C 2.618 179.550 176.870 0.103 0.000 1.153 199 L CA 1.184 56.096 54.840 0.119 0.000 0.851 199 L CB -0.437 41.750 42.059 0.213 0.000 0.959 199 L HN 0.381 nan 8.230 nan 0.000 0.451 200 A N -1.198 121.677 122.820 0.091 0.000 2.119 200 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 200 A C 2.094 179.699 177.584 0.036 0.000 1.152 200 A CA 0.981 53.063 52.037 0.075 0.000 0.708 200 A CB -0.224 18.817 19.000 0.067 0.000 0.805 200 A HN 0.397 nan 8.150 nan 0.000 0.460 201 L N -1.253 119.980 121.223 0.018 0.000 2.500 201 L HA 0.151 4.491 4.340 -0.000 0.000 0.219 201 L C -0.068 176.788 176.870 -0.022 0.000 1.057 201 L CA 0.199 55.035 54.840 -0.007 0.000 0.854 201 L CB 0.517 42.565 42.059 -0.019 0.000 1.078 201 L HN 0.036 nan 8.230 nan 0.000 0.480 202 V N 1.946 121.843 119.914 -0.028 0.000 2.240 202 V HA 0.416 4.536 4.120 -0.000 0.000 0.265 202 V C -0.526 175.553 176.094 -0.025 0.000 1.073 202 V CA -0.254 62.012 62.300 -0.057 0.000 0.857 202 V CB 0.084 31.835 31.823 -0.120 0.000 1.114 202 V HN 0.322 nan 8.190 nan 0.000 0.469 203 N N 2.025 120.721 118.700 -0.007 0.000 3.533 203 N HA 0.486 5.226 4.740 -0.000 0.000 0.229 203 N C -0.072 175.463 175.510 0.041 0.000 1.418 203 N CA 0.580 53.645 53.050 0.026 0.000 0.880 203 N CB 2.150 40.672 38.487 0.059 0.000 1.415 203 N HN 0.789 nan 8.380 nan 0.000 0.491 204 G N -0.014 108.842 108.800 0.092 0.000 2.697 204 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.240 204 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.240 204 G C 0.190 175.137 174.900 0.078 0.000 1.346 204 G CA 0.508 45.667 45.100 0.097 0.000 0.887 204 G HN 1.257 nan 8.290 nan 0.000 0.569 205 T N -3.094 111.491 114.554 0.052 0.000 3.275 205 T HA 0.574 4.924 4.350 -0.000 0.000 0.265 205 T C 1.766 176.473 174.700 0.012 0.000 0.978 205 T CA 0.916 63.039 62.100 0.038 0.000 0.923 205 T CB 0.398 69.287 68.868 0.033 0.000 1.126 205 T HN 0.851 nan 8.240 nan 0.000 0.538 206 S N 1.660 117.363 115.700 0.005 0.000 2.370 206 S HA -0.048 4.422 4.470 -0.000 0.000 0.226 206 S C 2.475 177.068 174.600 -0.011 0.000 1.033 206 S CA 1.184 59.378 58.200 -0.010 0.000 1.011 206 S CB -0.574 62.617 63.200 -0.015 0.000 0.852 206 S HN 0.826 nan 8.310 nan 0.000 0.457 207 A N 2.724 125.541 122.820 -0.004 0.000 1.855 207 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 207 A C 2.289 179.877 177.584 0.006 0.000 1.191 207 A CA 1.754 53.789 52.037 -0.003 0.000 0.613 207 A CB -0.784 18.216 19.000 0.000 0.000 0.829 207 A HN 0.663 nan 8.150 nan 0.000 0.442 208 M N -1.679 117.929 119.600 0.014 0.000 2.229 208 M HA -0.056 4.424 4.480 -0.000 0.000 0.264 208 M C 1.747 178.057 176.300 0.016 0.000 1.063 208 M CA 2.182 57.495 55.300 0.022 0.000 1.114 208 M CB -1.188 31.428 32.600 0.026 0.000 1.387 208 M HN 0.142 nan 8.290 nan 0.000 0.420 209 T N 1.151 115.706 114.554 0.001 0.000 2.857 209 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 209 T C 1.972 176.671 174.700 -0.002 0.000 1.048 209 T CA 1.573 63.666 62.100 -0.013 0.000 1.139 209 T CB -0.625 68.227 68.868 -0.028 0.000 0.874 209 T HN 0.712 nan 8.240 nan 0.000 0.455 210 G N 1.213 110.010 108.800 -0.004 0.000 2.402 210 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 210 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 210 G C 1.521 176.436 174.900 0.025 0.000 1.162 210 G CA 0.337 45.435 45.100 -0.004 0.000 0.777 210 G HN 0.472 nan 8.290 nan 0.000 0.539 211 I N 1.454 122.043 120.570 0.032 0.000 2.179 211 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 211 I C 3.274 179.443 176.117 0.087 0.000 1.088 211 I CA 1.065 62.398 61.300 0.055 0.000 1.357 211 I CB -0.196 37.833 38.000 0.049 0.000 1.051 211 I HN 0.230 nan 8.210 nan 0.000 0.409 212 A N 1.203 124.078 122.820 0.091 0.000 1.972 212 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 212 A C 2.230 179.922 177.584 0.180 0.000 1.169 212 A CA 1.812 53.943 52.037 0.156 0.000 0.635 212 A CB -0.799 18.271 19.000 0.118 0.000 0.810 212 A HN 0.524 nan 8.150 nan 0.000 0.446 213 L N -2.298 118.993 121.223 0.115 0.000 2.217 213 L HA 0.065 4.405 4.340 -0.000 0.000 0.211 213 L C 1.908 178.882 176.870 0.175 0.000 1.107 213 L CA 1.407 56.322 54.840 0.124 0.000 0.783 213 L CB -0.959 41.141 42.059 0.067 0.000 0.919 213 L HN -0.011 nan 8.230 nan 0.000 0.442 214 V N 0.800 120.818 119.914 0.173 0.000 2.453 214 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 214 V C 2.406 178.615 176.094 0.191 0.000 1.048 214 V CA 1.564 64.005 62.300 0.234 0.000 1.049 214 V CB -0.893 31.040 31.823 0.184 0.000 0.672 214 V HN 0.495 nan 8.190 nan 0.000 0.457 215 N N 0.960 119.747 118.700 0.146 0.000 2.120 215 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 215 N C 1.934 177.486 175.510 0.071 0.000 1.024 215 N CA 1.690 54.801 53.050 0.102 0.000 0.852 215 N CB -0.575 37.956 38.487 0.073 0.000 1.003 215 N HN 0.462 nan 8.380 nan 0.000 0.424 216 A N 0.395 123.281 122.820 0.110 0.000 1.883 216 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 216 A C 2.123 179.724 177.584 0.029 0.000 1.186 216 A CA 1.955 54.043 52.037 0.084 0.000 0.624 216 A CB -1.001 18.114 19.000 0.192 0.000 0.822 216 A HN 0.469 nan 8.150 nan 0.000 0.444 217 H N -0.229 118.804 119.070 -0.061 0.000 2.353 217 H HA 0.053 4.609 4.556 -0.000 0.000 0.300 217 H C 2.197 177.433 175.328 -0.154 0.000 1.090 217 H CA 1.925 57.850 56.048 -0.205 0.000 1.327 217 H CB -0.244 29.239 29.762 -0.464 0.000 1.383 217 H HN 0.398 nan 8.280 nan 0.000 0.508 218 A N -0.379 122.442 122.820 0.002 0.000 1.902 218 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 218 A C 2.693 180.253 177.584 -0.041 0.000 1.181 218 A CA 1.460 53.506 52.037 0.015 0.000 0.623 218 A CB -1.193 17.857 19.000 0.084 0.000 0.818 218 A HN 0.647 nan 8.150 nan 0.000 0.443 219 C N -1.301 117.996 119.300 -0.004 0.000 2.422 219 C HA -0.023 4.437 4.460 -0.000 0.000 0.279 219 C C 2.768 177.737 174.990 -0.034 0.000 1.305 219 C CA 1.109 60.171 59.018 0.073 0.000 1.757 219 C CB -1.351 26.472 27.740 0.138 0.000 1.962 219 C HN 0.727 nan 8.230 nan 0.000 0.499 220 R N -0.093 120.289 120.500 -0.196 0.000 2.081 220 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 220 R C 2.259 178.359 176.300 -0.332 0.000 1.131 220 R CA 1.507 57.415 56.100 -0.320 0.000 0.960 220 R CB -0.393 29.625 30.300 -0.471 0.000 0.856 220 R HN 0.599 nan 8.270 nan 0.000 0.436 221 H N 0.567 119.502 119.070 -0.225 0.000 2.326 221 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 221 H C 2.193 177.509 175.328 -0.020 0.000 1.081 221 H CA 1.665 57.632 56.048 -0.135 0.000 1.334 221 H CB -0.271 29.409 29.762 -0.137 0.000 1.385 221 H HN 0.234 nan 8.280 nan 0.000 0.504 222 L N -0.134 121.057 121.223 -0.054 0.000 2.083 222 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 222 L C 2.744 179.461 176.870 -0.254 0.000 1.083 222 L CA 1.085 55.709 54.840 -0.359 0.000 0.752 222 L CB -0.771 40.665 42.059 -1.038 0.000 0.899 222 L HN 0.305 nan 8.230 nan 0.000 0.433 223 G N -0.211 108.567 108.800 -0.038 0.000 2.422 223 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 223 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 223 G C 1.406 176.395 174.900 0.149 0.000 1.146 223 G CA 0.492 45.751 45.100 0.264 0.000 0.769 223 G HN 0.315 nan 8.290 nan 0.000 0.547 224 N N 0.005 118.689 118.700 -0.027 0.000 2.188 224 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 224 N C 1.828 177.250 175.510 -0.147 0.000 1.018 224 N CA 0.779 53.755 53.050 -0.123 0.000 0.858 224 N CB -0.297 38.060 38.487 -0.217 0.000 0.989 224 N HN 0.572 nan 8.380 nan 0.000 0.426 225 W N 1.637 122.896 121.300 -0.069 0.000 2.418 225 W HA 0.081 4.741 4.660 -0.000 0.000 0.292 225 W C 2.496 178.998 176.519 -0.029 0.000 1.213 225 W CA 1.071 58.373 57.345 -0.072 0.000 1.283 225 W CB -0.388 28.984 29.460 -0.147 0.000 1.119 225 W HN 0.022 nan 8.180 nan 0.000 0.542 226 A N -0.102 122.850 122.820 0.219 0.000 1.908 226 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 226 A C 1.998 179.674 177.584 0.154 0.000 1.181 226 A CA 2.262 54.442 52.037 0.239 0.000 0.627 226 A CB -1.144 18.093 19.000 0.394 0.000 0.818 226 A HN 0.092 nan 8.150 nan 0.000 0.445 227 V N -0.319 119.670 119.914 0.125 0.000 2.270 227 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 227 V C 3.079 179.159 176.094 -0.023 0.000 1.043 227 V CA 1.920 64.235 62.300 0.026 0.000 1.014 227 V CB -1.235 30.608 31.823 0.033 0.000 0.645 227 V HN 0.620 nan 8.190 nan 0.000 0.447 228 A N -0.291 122.504 122.820 -0.041 0.000 1.940 228 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 228 A C 2.178 179.778 177.584 0.026 0.000 1.176 228 A CA 1.865 53.863 52.037 -0.065 0.000 0.631 228 A CB -0.524 18.344 19.000 -0.220 0.000 0.814 228 A HN 0.529 nan 8.150 nan 0.000 0.446 229 L N -1.285 119.996 121.223 0.096 0.000 2.179 229 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 229 L C 2.637 179.572 176.870 0.109 0.000 1.096 229 L CA 1.402 56.318 54.840 0.127 0.000 0.779 229 L CB -0.815 41.345 42.059 0.169 0.000 0.922 229 L HN 0.293 nan 8.230 nan 0.000 0.443 230 T N 0.210 114.820 114.554 0.093 0.000 2.788 230 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 230 T C 2.054 176.864 174.700 0.184 0.000 1.044 230 T CA 1.341 63.507 62.100 0.109 0.000 1.139 230 T CB -0.105 68.777 68.868 0.023 0.000 0.867 230 T HN 0.430 nan 8.240 nan 0.000 0.454 231 A N 1.302 124.194 122.820 0.121 0.000 1.873 231 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 231 A C 2.201 179.906 177.584 0.201 0.000 1.186 231 A CA 1.158 53.329 52.037 0.223 0.000 0.616 231 A CB -0.829 18.234 19.000 0.104 0.000 0.823 231 A HN 0.397 nan 8.150 nan 0.000 0.442 232 L N -0.679 120.619 121.223 0.125 0.000 2.131 232 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 232 L C 2.204 179.133 176.870 0.098 0.000 1.092 232 L CA 1.798 56.697 54.840 0.098 0.000 0.759 232 L CB -0.679 41.428 42.059 0.080 0.000 0.903 232 L HN 0.385 nan 8.230 nan 0.000 0.435 233 L N -0.198 121.094 121.223 0.115 0.000 2.046 233 L HA -0.112 4.227 4.340 -0.000 0.000 0.208 233 L C 2.518 179.448 176.870 0.099 0.000 1.077 233 L CA 2.078 56.977 54.840 0.098 0.000 0.747 233 L CB -1.061 41.067 42.059 0.114 0.000 0.896 233 L HN 0.259 nan 8.230 nan 0.000 0.432 234 A N -0.689 122.222 122.820 0.152 0.000 1.908 234 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 234 A C 2.139 179.748 177.584 0.042 0.000 1.181 234 A CA 1.961 54.052 52.037 0.090 0.000 0.627 234 A CB -0.688 18.384 19.000 0.121 0.000 0.818 234 A HN 0.650 nan 8.150 nan 0.000 0.445 235 E N -1.115 119.125 120.200 0.067 0.000 2.268 235 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 235 E C 1.748 178.366 176.600 0.030 0.000 0.995 235 E CA 1.033 57.459 56.400 0.043 0.000 0.836 235 E CB -0.282 29.450 29.700 0.054 0.000 0.763 235 E HN 0.690 nan 8.360 nan 0.000 0.491 236 C N 0.051 119.371 119.300 0.033 0.000 2.563 236 C HA 0.142 4.602 4.460 -0.000 0.000 0.268 236 C C 1.751 176.748 174.990 0.011 0.000 1.365 236 C CA 0.053 59.084 59.018 0.021 0.000 1.754 236 C CB -0.235 27.517 27.740 0.020 0.000 1.932 236 C HN 0.322 nan 8.230 nan 0.000 0.536 237 L N -0.106 121.124 121.223 0.012 0.000 3.168 237 L HA 0.280 4.620 4.340 -0.000 0.000 0.277 237 L C 0.277 177.141 176.870 -0.010 0.000 1.245 237 L CA -0.094 54.747 54.840 0.001 0.000 1.035 237 L CB -0.270 41.793 42.059 0.007 0.000 1.399 237 L HN 0.227 nan 8.230 nan 0.000 0.580 238 R N 0.759 121.252 120.500 -0.012 0.000 3.322 238 R HA -0.157 4.183 4.340 -0.000 0.000 0.253 238 R C 0.667 176.937 176.300 -0.050 0.000 0.987 238 R CA 0.447 56.532 56.100 -0.024 0.000 0.666 238 R CB -1.879 28.410 30.300 -0.018 0.000 1.072 238 R HN 0.500 nan 8.270 nan 0.000 0.447 239 G N 0.587 109.343 108.800 -0.074 0.000 2.594 239 G HA2 0.244 4.204 3.960 -0.000 0.000 0.243 239 G HA3 0.244 4.204 3.960 -0.000 0.000 0.243 239 G C 0.013 174.780 174.900 -0.222 0.000 1.229 239 G CA -0.649 44.365 45.100 -0.144 0.000 0.843 239 G HN 0.249 nan 8.290 nan 0.000 0.578 240 R N 0.343 120.680 120.500 -0.272 0.000 2.221 240 R HA 0.239 4.579 4.340 -0.000 0.000 0.327 240 R C 1.514 177.515 176.300 -0.498 0.000 1.033 240 R CA 0.163 56.097 56.100 -0.278 0.000 0.887 240 R CB 0.964 31.157 30.300 -0.178 0.000 1.057 240 R HN 0.699 nan 8.270 nan 0.000 0.455 241 T N -1.175 113.132 114.554 -0.411 0.000 3.055 241 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 241 T C 1.450 175.998 174.700 -0.253 0.000 1.111 241 T CA 0.928 62.762 62.100 -0.442 0.000 1.118 241 T CB -0.038 68.724 68.868 -0.178 0.000 0.909 241 T HN 0.746 nan 8.240 nan 0.000 0.501 242 E N 1.860 121.953 120.200 -0.178 0.000 2.204 242 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 242 E C 2.216 178.784 176.600 -0.053 0.000 0.990 242 E CA 0.971 57.323 56.400 -0.080 0.000 0.821 242 E CB -0.589 29.078 29.700 -0.054 0.000 0.750 242 E HN 0.616 nan 8.360 nan 0.000 0.477 243 A N 0.729 123.467 122.820 -0.137 0.000 2.121 243 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 243 A C 0.990 178.708 177.584 0.222 0.000 1.154 243 A CA 0.699 52.725 52.037 -0.020 0.000 0.679 243 A CB -0.601 18.352 19.000 -0.078 0.000 0.795 243 A HN 0.501 nan 8.150 nan 0.000 0.458 244 W N -0.303 120.998 121.300 0.001 0.000 3.239 244 W HA 0.601 5.261 4.660 -0.000 0.000 0.368 244 W C 0.825 177.346 176.519 0.003 0.000 1.154 244 W CA -1.090 56.257 57.345 0.003 0.000 1.860 244 W CB -1.347 28.117 29.460 0.008 0.000 1.094 244 W HN 0.342 nan 8.180 nan 0.000 0.643 245 A N 0.861 123.791 122.820 0.182 0.000 2.498 245 A HA 0.425 4.745 4.320 -0.000 0.000 0.239 245 A C 1.683 179.320 177.584 0.088 0.000 1.068 245 A CA 0.696 52.797 52.037 0.106 0.000 0.766 245 A CB 0.570 19.605 19.000 0.058 0.000 1.003 245 A HN 0.256 nan 8.150 nan 0.000 0.497 246 A N 2.278 125.137 122.820 0.066 0.000 2.019 246 A HA 0.139 4.459 4.320 -0.000 0.000 0.219 246 A C 2.313 179.918 177.584 0.035 0.000 1.164 246 A CA 2.161 54.227 52.037 0.048 0.000 0.644 246 A CB -0.854 18.168 19.000 0.036 0.000 0.805 246 A HN 1.699 nan 8.150 nan 0.000 0.449 247 A N -0.146 122.693 122.820 0.031 0.000 1.933 247 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 247 A C 2.119 179.714 177.584 0.020 0.000 1.175 247 A CA 1.471 53.520 52.037 0.020 0.000 0.628 247 A CB -0.532 18.478 19.000 0.017 0.000 0.814 247 A HN 0.488 nan 8.150 nan 0.000 0.444 248 L N -0.529 120.712 121.223 0.031 0.000 2.093 248 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 248 L C 2.813 179.698 176.870 0.025 0.000 1.085 248 L CA 1.338 56.195 54.840 0.029 0.000 0.755 248 L CB -0.399 41.687 42.059 0.044 0.000 0.904 248 L HN 0.326 nan 8.230 nan 0.000 0.435 249 S N -0.331 115.388 115.700 0.032 0.000 2.368 249 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 249 S C 1.500 176.104 174.600 0.008 0.000 1.030 249 S CA 1.297 59.514 58.200 0.027 0.000 0.999 249 S CB -0.267 62.953 63.200 0.034 0.000 0.844 249 S HN 0.451 nan 8.310 nan 0.000 0.459 250 D N 1.426 121.830 120.400 0.006 0.000 2.218 250 D HA -0.012 4.628 4.640 -0.000 0.000 0.204 250 D C 1.725 178.014 176.300 -0.018 0.000 0.976 250 D CA 0.670 54.667 54.000 -0.006 0.000 0.853 250 D CB -0.232 40.567 40.800 -0.001 0.000 0.939 250 D HN 0.337 nan 8.370 nan 0.000 0.481 251 L N -0.482 120.733 121.223 -0.014 0.000 2.291 251 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 251 L C 1.570 178.416 176.870 -0.040 0.000 1.120 251 L CA 0.528 55.355 54.840 -0.022 0.000 0.799 251 L CB 0.157 42.209 42.059 -0.011 0.000 0.925 251 L HN -0.185 nan 8.230 nan 0.000 0.446 252 R N 0.679 121.153 120.500 -0.044 0.000 2.644 252 R HA 0.188 4.528 4.340 -0.000 0.000 0.271 252 R C -2.138 174.094 176.300 -0.114 0.000 1.687 252 R CA -1.358 54.691 56.100 -0.085 0.000 1.655 252 R CB 0.866 31.155 30.300 -0.019 0.000 1.285 252 R HN -0.141 nan 8.270 nan 0.000 0.643 253 P HA -0.112 nan 4.420 nan 0.000 0.311 253 P C -0.638 176.599 177.300 -0.105 0.000 1.543 253 P CA 0.345 63.383 63.100 -0.104 0.000 0.766 253 P CB -0.335 31.312 31.700 -0.088 0.000 1.711 254 H N 0.792 119.863 119.070 0.001 0.000 2.848 254 H HA 0.083 4.639 4.556 -0.000 0.000 0.317 254 H C -1.268 174.072 175.328 0.020 0.000 1.046 254 H CA -1.495 54.556 56.048 0.005 0.000 1.470 254 H CB 0.470 30.230 29.762 -0.003 0.000 1.483 254 H HN 0.080 nan 8.280 nan 0.000 0.548 255 P HA -0.162 nan 4.420 nan 0.000 0.215 255 P C 1.636 179.010 177.300 0.123 0.000 1.157 255 P CA 1.721 64.884 63.100 0.106 0.000 0.874 255 P CB 0.117 31.874 31.700 0.094 0.000 0.790 256 G N -0.492 108.398 108.800 0.149 0.000 2.422 256 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 256 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 256 G C 1.677 176.675 174.900 0.163 0.000 1.146 256 G CA 0.675 45.893 45.100 0.197 0.000 0.769 256 G HN 0.325 nan 8.290 nan 0.000 0.547 257 Q N 0.076 119.936 119.800 0.101 0.000 2.083 257 Q HA -0.048 4.292 4.340 -0.000 0.000 0.198 257 Q C 2.460 178.494 176.000 0.056 0.000 0.969 257 Q CA 1.439 57.273 55.803 0.052 0.000 0.838 257 Q CB -0.177 28.605 28.738 0.073 0.000 0.900 257 Q HN 0.514 nan 8.270 nan 0.000 0.436 258 K N 0.228 120.672 120.400 0.073 0.000 2.057 258 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 258 K C 1.662 178.293 176.600 0.051 0.000 1.049 258 K CA 1.887 58.205 56.287 0.052 0.000 0.931 258 K CB -0.162 32.366 32.500 0.047 0.000 0.714 258 K HN 0.177 nan 8.250 nan 0.000 0.440 259 D N -0.102 120.344 120.400 0.076 0.000 2.097 259 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 259 D C 1.717 178.072 176.300 0.092 0.000 0.989 259 D CA 1.564 55.608 54.000 0.074 0.000 0.827 259 D CB -0.082 40.769 40.800 0.086 0.000 0.966 259 D HN 0.331 nan 8.370 nan 0.000 0.456 260 A N 0.584 123.499 122.820 0.157 0.000 1.883 260 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 260 A C 2.405 179.947 177.584 -0.070 0.000 1.186 260 A CA 2.515 54.621 52.037 0.115 0.000 0.624 260 A CB -1.229 17.765 19.000 -0.010 0.000 0.822 260 A HN 0.331 nan 8.150 nan 0.000 0.444 261 A N -0.330 122.444 122.820 -0.076 0.000 1.933 261 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 261 A C 2.499 180.056 177.584 -0.045 0.000 1.175 261 A CA 2.123 54.098 52.037 -0.103 0.000 0.628 261 A CB -0.984 18.015 19.000 -0.002 0.000 0.814 261 A HN 1.073 nan 8.150 nan 0.000 0.444 262 A N -0.098 122.717 122.820 -0.008 0.000 1.902 262 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 262 A C 2.233 179.809 177.584 -0.014 0.000 1.181 262 A CA 1.585 53.625 52.037 0.006 0.000 0.623 262 A CB -0.430 18.576 19.000 0.010 0.000 0.818 262 A HN 0.545 nan 8.150 nan 0.000 0.443 263 R N -0.555 119.925 120.500 -0.033 0.000 2.092 263 R HA 0.032 4.372 4.340 -0.000 0.000 0.231 263 R C 2.024 178.273 176.300 -0.083 0.000 1.119 263 R CA 1.249 57.319 56.100 -0.049 0.000 0.970 263 R CB -0.467 29.809 30.300 -0.040 0.000 0.864 263 R HN 0.492 nan 8.270 nan 0.000 0.440 264 L N 0.232 121.351 121.223 -0.173 0.000 2.046 264 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 264 L C 2.551 179.404 176.870 -0.029 0.000 1.077 264 L CA 1.428 56.078 54.840 -0.317 0.000 0.747 264 L CB -0.319 41.182 42.059 -0.931 0.000 0.896 264 L HN 0.155 nan 8.230 nan 0.000 0.432 265 R N -0.244 120.296 120.500 0.067 0.000 2.096 265 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 265 R C 2.392 178.751 176.300 0.097 0.000 1.127 265 R CA 1.303 57.503 56.100 0.168 0.000 0.968 265 R CB -0.479 29.901 30.300 0.134 0.000 0.861 265 R HN 0.359 nan 8.270 nan 0.000 0.440 266 A N 1.323 124.167 122.820 0.041 0.000 1.902 266 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 266 A C 2.038 179.635 177.584 0.022 0.000 1.181 266 A CA 1.058 53.108 52.037 0.021 0.000 0.623 266 A CB -0.248 18.750 19.000 -0.005 0.000 0.818 266 A HN 0.103 nan 8.150 nan 0.000 0.443 267 R N -0.159 120.351 120.500 0.017 0.000 2.096 267 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 267 R C 1.909 178.245 176.300 0.059 0.000 1.127 267 R CA 1.749 57.860 56.100 0.018 0.000 0.968 267 R CB -1.325 28.975 30.300 -0.001 0.000 0.861 267 R HN 0.669 nan 8.270 nan 0.000 0.440 268 V N -0.982 118.999 119.914 0.113 0.000 3.633 268 V HA 0.105 4.225 4.120 -0.000 0.000 0.283 268 V C 0.267 176.407 176.094 0.077 0.000 1.305 268 V CA -0.501 61.870 62.300 0.119 0.000 1.153 268 V CB -0.689 31.251 31.823 0.195 0.000 0.950 268 V HN -0.037 nan 8.190 nan 0.000 0.432 269 D N 1.206 121.642 120.400 0.060 0.000 2.450 269 D HA 0.417 5.057 4.640 -0.000 0.000 0.247 269 D C 1.439 177.755 176.300 0.027 0.000 1.162 269 D CA 1.782 55.806 54.000 0.039 0.000 0.879 269 D CB 0.401 41.218 40.800 0.029 0.000 1.163 269 D HN 0.538 nan 8.370 nan 0.000 0.472 270 G N 2.417 111.229 108.800 0.020 0.000 2.195 270 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.246 270 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.246 270 G C 0.448 175.358 174.900 0.017 0.000 0.984 270 G CA 0.242 45.351 45.100 0.015 0.000 0.633 270 G HN 0.763 nan 8.290 nan 0.000 0.525 271 S N 0.179 115.893 115.700 0.023 0.000 2.565 271 S HA 0.671 5.141 4.470 -0.000 0.000 0.276 271 S C 1.243 175.852 174.600 0.014 0.000 1.326 271 S CA 0.801 59.015 58.200 0.023 0.000 1.045 271 S CB 1.339 64.560 63.200 0.034 0.000 0.918 271 S HN 1.599 nan 8.310 nan 0.000 0.505 272 A N 5.187 128.015 122.820 0.014 0.000 2.431 272 A HA 0.326 4.646 4.320 -0.000 0.000 0.239 272 A C 1.780 179.373 177.584 0.014 0.000 1.230 272 A CA -0.334 51.711 52.037 0.013 0.000 0.928 272 A CB 0.083 19.092 19.000 0.014 0.000 1.006 272 A HN 0.731 nan 8.150 nan 0.000 0.520 273 R N -0.055 120.454 120.500 0.014 0.000 2.254 273 R HA 0.090 4.430 4.340 -0.000 0.000 0.195 273 R C 0.789 177.090 176.300 0.003 0.000 0.957 273 R CA 0.934 57.041 56.100 0.012 0.000 1.024 273 R CB -0.455 29.855 30.300 0.016 0.000 0.952 273 R HN 0.494 nan 8.270 nan 0.000 0.484 274 V N -1.099 118.812 119.914 -0.005 0.000 2.863 274 V HA 0.408 4.528 4.120 -0.000 0.000 0.307 274 V C 0.501 176.579 176.094 -0.026 0.000 1.061 274 V CA -0.922 61.358 62.300 -0.034 0.000 1.024 274 V CB 1.924 33.713 31.823 -0.057 0.000 1.049 274 V HN -0.259 nan 8.190 nan 0.000 0.471 275 V N 4.299 124.187 119.914 -0.043 0.000 2.364 275 V HA 0.436 4.556 4.120 -0.000 0.000 0.272 275 V C 1.080 177.157 176.094 -0.029 0.000 1.036 275 V CA -0.261 62.047 62.300 0.013 0.000 0.880 275 V CB 0.643 32.475 31.823 0.015 0.000 0.991 275 V HN 0.933 nan 8.190 nan 0.000 0.460 276 R N 1.581 122.054 120.500 -0.044 0.000 2.312 276 R HA 0.168 4.508 4.340 -0.000 0.000 0.205 276 R C -0.135 176.069 176.300 -0.160 0.000 0.904 276 R CA -0.142 55.878 56.100 -0.134 0.000 1.052 276 R CB 0.159 30.352 30.300 -0.178 0.000 1.014 276 R HN 0.735 nan 8.270 nan 0.000 0.503 277 H N 0.319 119.364 119.070 -0.042 0.000 2.929 277 H HA 0.052 4.608 4.556 -0.000 0.000 0.317 277 H C -0.180 175.126 175.328 -0.037 0.000 1.031 277 H CA -0.049 55.979 56.048 -0.033 0.000 1.466 277 H CB 0.725 30.470 29.762 -0.028 0.000 1.482 277 H HN -0.202 nan 8.280 nan 0.000 0.561 278 V N 6.250 126.200 119.914 0.060 0.000 2.427 278 V HA -0.057 4.063 4.120 -0.000 0.000 0.268 278 V C 1.923 178.041 176.094 0.040 0.000 1.046 278 V CA 0.080 62.397 62.300 0.028 0.000 0.970 278 V CB -0.269 31.560 31.823 0.010 0.000 1.001 278 V HN 0.841 nan 8.190 nan 0.000 0.476 279 I N 3.350 123.935 120.570 0.024 0.000 2.335 279 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 279 I C 2.090 178.214 176.117 0.011 0.000 1.129 279 I CA 2.046 63.355 61.300 0.015 0.000 1.402 279 I CB -0.256 37.746 38.000 0.003 0.000 1.069 279 I HN 0.561 nan 8.210 nan 0.000 0.424 280 A N 0.886 123.712 122.820 0.010 0.000 2.172 280 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 280 A C 2.141 179.731 177.584 0.010 0.000 1.154 280 A CA 1.061 53.103 52.037 0.008 0.000 0.701 280 A CB -0.501 18.502 19.000 0.006 0.000 0.789 280 A HN 0.526 nan 8.150 nan 0.000 0.465 281 E N 0.114 120.324 120.200 0.016 0.000 2.150 281 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 281 E C 1.179 177.788 176.600 0.015 0.000 0.985 281 E CA 0.255 56.666 56.400 0.019 0.000 0.814 281 E CB -0.246 29.473 29.700 0.032 0.000 0.752 281 E HN 0.642 nan 8.360 nan 0.000 0.466 282 R N 1.801 122.309 120.500 0.012 0.000 2.489 282 R HA 0.042 4.382 4.340 -0.000 0.000 0.287 282 R C -0.348 175.952 176.300 0.000 0.000 1.053 282 R CA 0.061 56.163 56.100 0.003 0.000 1.036 282 R CB 0.402 30.698 30.300 -0.006 0.000 0.966 282 R HN -0.124 nan 8.270 nan 0.000 0.432 283 R N 5.696 126.196 120.500 -0.001 0.000 2.229 283 R HA 0.258 4.598 4.340 -0.000 0.000 0.332 283 R C -0.391 175.907 176.300 -0.004 0.000 0.989 283 R CA -0.575 55.524 56.100 -0.002 0.000 0.842 283 R CB 1.008 31.308 30.300 -0.000 0.000 1.119 283 R HN 0.484 nan 8.270 nan 0.000 0.456 284 L N 3.217 124.437 121.223 -0.005 0.000 2.418 284 L HA 0.263 4.603 4.340 -0.000 0.000 0.265 284 L C 0.730 177.597 176.870 -0.005 0.000 1.143 284 L CA -0.197 54.639 54.840 -0.006 0.000 0.809 284 L CB 0.504 42.559 42.059 -0.006 0.000 1.124 284 L HN 0.687 nan 8.230 nan 0.000 0.456 285 D N 1.226 121.622 120.400 -0.006 0.000 2.687 285 D HA 0.342 4.982 4.640 -0.000 0.000 0.264 285 D C 0.540 176.837 176.300 -0.006 0.000 1.091 285 D CA -0.314 53.683 54.000 -0.005 0.000 1.123 285 D CB 1.645 42.442 40.800 -0.006 0.000 1.407 285 D HN 0.442 nan 8.370 nan 0.000 0.591 286 A N 0.212 123.029 122.820 -0.005 0.000 1.873 286 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 286 A C 2.048 179.629 177.584 -0.006 0.000 1.193 286 A CA 2.459 54.493 52.037 -0.005 0.000 0.629 286 A CB -1.641 17.357 19.000 -0.004 0.000 0.826 286 A HN 0.719 nan 8.150 nan 0.000 0.447 287 G N -1.182 107.614 108.800 -0.006 0.000 2.653 287 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.212 287 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.212 287 G C 0.718 175.613 174.900 -0.008 0.000 1.138 287 G CA 0.966 46.061 45.100 -0.007 0.000 0.782 287 G HN 0.523 nan 8.290 nan 0.000 0.535 288 D N 0.056 120.451 120.400 -0.009 0.000 2.366 288 D HA 0.047 4.687 4.640 -0.000 0.000 0.205 288 D C 1.034 177.329 176.300 -0.009 0.000 1.022 288 D CA -0.180 53.814 54.000 -0.010 0.000 0.868 288 D CB 0.590 41.383 40.800 -0.011 0.000 0.953 288 D HN 0.128 nan 8.370 nan 0.000 0.514 289 I N 1.493 122.059 120.570 -0.007 0.000 2.668 289 I HA 0.291 4.461 4.170 -0.000 0.000 0.285 289 I C 1.439 177.552 176.117 -0.007 0.000 1.168 289 I CA 0.877 62.173 61.300 -0.006 0.000 1.424 289 I CB 0.100 38.096 38.000 -0.005 0.000 1.377 289 I HN 0.060 nan 8.210 nan 0.000 0.560 290 G N 5.749 114.545 108.800 -0.007 0.000 2.403 290 G HA2 0.070 4.030 3.960 -0.000 0.000 0.223 290 G HA3 0.070 4.030 3.960 -0.000 0.000 0.223 290 G C -1.069 173.826 174.900 -0.007 0.000 1.287 290 G CA -0.657 44.439 45.100 -0.007 0.000 0.982 290 G HN 0.431 nan 8.290 nan 0.000 0.471 291 T N 1.875 116.425 114.554 -0.008 0.000 2.770 291 T HA 0.589 4.939 4.350 -0.000 0.000 0.283 291 T C -0.263 174.431 174.700 -0.010 0.000 0.988 291 T CA -0.275 61.820 62.100 -0.009 0.000 0.957 291 T CB 1.508 70.371 68.868 -0.008 0.000 0.930 291 T HN 0.464 nan 8.240 nan 0.000 0.443 292 E N 3.088 123.281 120.200 -0.011 0.000 2.319 292 E HA 0.201 4.551 4.350 -0.000 0.000 0.268 292 E C -1.290 175.302 176.600 -0.014 0.000 1.050 292 E CA -1.991 54.401 56.400 -0.014 0.000 0.878 292 E CB 0.819 30.509 29.700 -0.015 0.000 1.066 292 E HN 0.334 nan 8.360 nan 0.000 0.406 293 P HA -0.136 nan 4.420 nan 0.000 0.216 293 P C -0.656 176.635 177.300 -0.016 0.000 1.150 293 P CA 1.363 64.454 63.100 -0.015 0.000 0.837 293 P CB 0.319 32.009 31.700 -0.017 0.000 0.786 294 E N -1.633 118.557 120.200 -0.017 0.000 2.367 294 E HA 0.603 4.953 4.350 -0.000 0.000 0.273 294 E C -0.947 175.644 176.600 -0.014 0.000 0.903 294 E CA -1.151 55.240 56.400 -0.016 0.000 0.764 294 E CB 2.017 31.706 29.700 -0.018 0.000 1.252 294 E HN -0.112 nan 8.360 nan 0.000 0.446 295 A N 0.573 123.387 122.820 -0.011 0.000 2.327 295 A HA 0.445 4.765 4.320 -0.000 0.000 0.255 295 A C 1.143 178.722 177.584 -0.008 0.000 1.099 295 A CA 0.346 52.379 52.037 -0.007 0.000 0.801 295 A CB 0.001 19.000 19.000 -0.001 0.000 1.062 295 A HN 0.776 nan 8.150 nan 0.000 0.496 296 G N -1.012 107.785 108.800 -0.005 0.000 2.920 296 G HA2 0.332 4.292 3.960 -0.000 0.000 0.208 296 G HA3 0.332 4.292 3.960 -0.000 0.000 0.208 296 G C 0.385 175.281 174.900 -0.007 0.000 1.159 296 G CA 0.248 45.343 45.100 -0.008 0.000 0.784 296 G HN 0.682 nan 8.290 nan 0.000 0.535 297 Q N 0.153 119.955 119.800 0.003 0.000 2.389 297 Q HA 0.285 4.625 4.340 -0.000 0.000 0.277 297 Q C -1.530 174.482 176.000 0.020 0.000 1.082 297 Q CA -1.012 54.797 55.803 0.010 0.000 0.810 297 Q CB 2.116 30.876 28.738 0.036 0.000 1.374 297 Q HN 0.039 nan 8.270 nan 0.000 0.422 298 D N 0.746 121.157 120.400 0.018 0.000 2.354 298 D HA 0.375 5.015 4.640 -0.000 0.000 0.247 298 D C -0.101 176.261 176.300 0.102 0.000 1.138 298 D CA -0.096 53.924 54.000 0.034 0.000 0.958 298 D CB 0.897 41.702 40.800 0.009 0.000 1.144 298 D HN 0.627 nan 8.370 nan 0.000 0.458 299 A N 0.518 123.390 122.820 0.086 0.000 2.429 299 A HA -0.016 4.304 4.320 -0.000 0.000 0.242 299 A C 0.623 178.363 177.584 0.260 0.000 1.088 299 A CA -0.035 52.062 52.037 0.100 0.000 0.784 299 A CB -0.092 18.925 19.000 0.028 0.000 1.038 299 A HN 0.545 nan 8.150 nan 0.000 0.501 300 Y N 0.805 121.123 120.300 0.029 0.000 2.274 300 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 300 Y C 2.885 178.819 175.900 0.057 0.000 1.145 300 Y CA 1.490 59.614 58.100 0.040 0.000 1.203 300 Y CB -1.274 37.200 38.460 0.024 0.000 0.984 300 Y HN 0.731 nan 8.280 nan 0.000 0.533 301 S N -1.105 114.721 115.700 0.210 0.000 2.537 301 S HA -0.089 4.380 4.470 -0.000 0.000 0.240 301 S C 1.732 176.437 174.600 0.175 0.000 0.981 301 S CA 1.018 59.309 58.200 0.151 0.000 0.948 301 S CB -0.496 62.768 63.200 0.106 0.000 0.759 301 S HN 0.459 nan 8.310 nan 0.000 0.531 302 L N -0.387 120.959 121.223 0.206 0.000 2.588 302 L HA 0.360 4.700 4.340 -0.000 0.000 0.194 302 L C 2.700 179.781 176.870 0.352 0.000 1.070 302 L CA 0.185 55.194 54.840 0.281 0.000 0.852 302 L CB -0.196 41.968 42.059 0.174 0.000 1.199 302 L HN 0.167 nan 8.230 nan 0.000 0.486 303 R N -0.061 120.567 120.500 0.214 0.000 2.120 303 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 303 R C 1.517 177.912 176.300 0.159 0.000 1.123 303 R CA 1.762 57.960 56.100 0.163 0.000 0.975 303 R CB -0.164 30.193 30.300 0.094 0.000 0.866 303 R HN 0.395 nan 8.270 nan 0.000 0.446 304 C N 0.226 119.582 119.300 0.094 0.000 2.780 304 C HA 0.440 4.900 4.460 -0.000 0.000 0.287 304 C C 2.143 177.146 174.990 0.021 0.000 1.288 304 C CA -0.378 58.636 59.018 -0.008 0.000 1.713 304 C CB -0.322 27.322 27.740 -0.160 0.000 1.955 304 C HN 0.624 nan 8.230 nan 0.000 0.613 305 A N 2.734 125.610 122.820 0.093 0.000 1.883 305 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 305 A C 0.027 177.529 177.584 -0.138 0.000 1.186 305 A CA 1.878 53.905 52.037 -0.017 0.000 0.624 305 A CB -1.623 17.369 19.000 -0.014 0.000 0.822 305 A HN 0.416 nan 8.150 nan 0.000 0.444 306 P HA -0.159 nan 4.420 nan 0.000 0.215 306 P C 1.284 178.508 177.300 -0.127 0.000 1.153 306 P CA 1.554 64.558 63.100 -0.161 0.000 0.853 306 P CB -0.043 31.608 31.700 -0.083 0.000 0.788 307 Q N -0.998 118.749 119.800 -0.088 0.000 2.049 307 Q HA -0.073 4.267 4.340 -0.000 0.000 0.198 307 Q C 2.150 178.066 176.000 -0.140 0.000 0.971 307 Q CA 1.224 56.972 55.803 -0.092 0.000 0.833 307 Q CB -1.401 27.293 28.738 -0.074 0.000 0.896 307 Q HN 0.084 nan 8.270 nan 0.000 0.434 308 V N 0.435 120.264 119.914 -0.141 0.000 2.270 308 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 308 V C 2.117 178.055 176.094 -0.260 0.000 1.043 308 V CA 1.509 63.713 62.300 -0.160 0.000 1.014 308 V CB -0.639 31.118 31.823 -0.109 0.000 0.645 308 V HN 0.301 nan 8.190 nan 0.000 0.447 309 L N 0.585 121.605 121.223 -0.338 0.000 2.083 309 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 309 L C 2.664 178.986 176.870 -0.912 0.000 1.083 309 L CA 1.755 56.202 54.840 -0.655 0.000 0.752 309 L CB -1.202 40.472 42.059 -0.642 0.000 0.899 309 L HN 0.487 nan 8.230 nan 0.000 0.433 310 G N -0.364 108.136 108.800 -0.500 0.000 2.418 310 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 310 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 310 G C 1.772 176.563 174.900 -0.180 0.000 1.158 310 G CA 0.814 45.753 45.100 -0.267 0.000 0.771 310 G HN 0.470 nan 8.290 nan 0.000 0.545 311 A N 0.780 123.473 122.820 -0.211 0.000 1.930 311 A HA 0.187 4.507 4.320 -0.000 0.000 0.217 311 A C 2.678 180.191 177.584 -0.117 0.000 1.175 311 A CA 2.012 53.944 52.037 -0.175 0.000 0.627 311 A CB -0.931 17.959 19.000 -0.184 0.000 0.815 311 A HN 0.506 nan 8.150 nan 0.000 0.443 312 G N -1.046 107.647 108.800 -0.179 0.000 2.402 312 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 312 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 312 G C 1.283 176.253 174.900 0.117 0.000 1.162 312 G CA 1.032 46.072 45.100 -0.100 0.000 0.777 312 G HN 0.379 nan 8.290 nan 0.000 0.539 313 F N 1.693 121.647 119.950 0.006 0.000 2.186 313 F HA 0.042 4.568 4.527 -0.000 0.000 0.299 313 F C 2.309 178.133 175.800 0.040 0.000 1.090 313 F CA 0.399 58.416 58.000 0.027 0.000 1.307 313 F CB -0.645 38.365 39.000 0.016 0.000 1.019 313 F HN 0.111 nan 8.300 nan 0.000 0.489 314 D N -0.568 119.955 120.400 0.206 0.000 2.219 314 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 314 D C 2.191 178.595 176.300 0.173 0.000 0.970 314 D CA 1.378 55.465 54.000 0.146 0.000 0.851 314 D CB -0.329 40.502 40.800 0.052 0.000 0.943 314 D HN 0.207 nan 8.370 nan 0.000 0.488 315 T N 1.083 115.731 114.554 0.157 0.000 2.812 315 T HA -0.102 4.247 4.350 -0.000 0.000 0.264 315 T C 1.904 176.769 174.700 0.275 0.000 1.042 315 T CA 0.324 62.556 62.100 0.220 0.000 1.140 315 T CB -0.180 68.770 68.868 0.137 0.000 0.870 315 T HN 0.043 nan 8.240 nan 0.000 0.445 316 L N 1.635 122.983 121.223 0.207 0.000 2.083 316 L HA 0.113 4.453 4.340 -0.000 0.000 0.209 316 L C 2.575 179.569 176.870 0.206 0.000 1.083 316 L CA 1.714 56.656 54.840 0.170 0.000 0.752 316 L CB -1.035 41.110 42.059 0.143 0.000 0.899 316 L HN 0.216 nan 8.230 nan 0.000 0.433 317 A N -1.156 121.785 122.820 0.202 0.000 1.908 317 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 317 A C 2.130 179.854 177.584 0.234 0.000 1.181 317 A CA 1.802 53.947 52.037 0.180 0.000 0.627 317 A CB -1.438 17.659 19.000 0.161 0.000 0.818 317 A HN 0.746 nan 8.150 nan 0.000 0.445 318 W N 0.311 121.669 121.300 0.097 0.000 2.379 318 W HA -0.167 4.493 4.660 -0.000 0.000 0.307 318 W C 2.254 178.836 176.519 0.106 0.000 1.200 318 W CA 1.858 59.254 57.345 0.085 0.000 1.297 318 W CB -0.745 28.759 29.460 0.074 0.000 1.140 318 W HN 0.628 nan 8.180 nan 0.000 0.507 319 H N 0.220 119.239 119.070 -0.086 0.000 2.319 319 H HA -0.179 4.377 4.556 -0.000 0.000 0.297 319 H C 1.355 176.570 175.328 -0.188 0.000 1.097 319 H CA 2.445 58.336 56.048 -0.262 0.000 1.285 319 H CB -0.559 29.159 29.762 -0.074 0.000 1.368 319 H HN 0.059 nan 8.280 nan 0.000 0.495 320 D N 0.229 120.674 120.400 0.074 0.000 2.178 320 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 320 D C 2.611 178.876 176.300 -0.060 0.000 0.974 320 D CA 0.607 54.622 54.000 0.025 0.000 0.841 320 D CB -0.215 40.647 40.800 0.104 0.000 0.953 320 D HN 0.393 nan 8.370 nan 0.000 0.478 321 R N 0.260 120.733 120.500 -0.045 0.000 2.070 321 R HA -0.053 4.287 4.340 -0.000 0.000 0.233 321 R C 2.348 178.585 176.300 -0.105 0.000 1.137 321 R CA 0.770 56.853 56.100 -0.029 0.000 0.945 321 R CB -0.508 29.823 30.300 0.050 0.000 0.845 321 R HN 0.090 nan 8.270 nan 0.000 0.430 322 V N 1.483 121.255 119.914 -0.237 0.000 2.343 322 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 322 V C 2.228 178.170 176.094 -0.254 0.000 1.051 322 V CA 1.448 63.586 62.300 -0.269 0.000 1.036 322 V CB -0.431 31.119 31.823 -0.456 0.000 0.654 322 V HN 0.239 nan 8.190 nan 0.000 0.451 323 L N -0.055 120.976 121.223 -0.321 0.000 2.093 323 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 323 L C 2.441 179.220 176.870 -0.152 0.000 1.085 323 L CA 2.326 57.002 54.840 -0.273 0.000 0.755 323 L CB -0.949 40.888 42.059 -0.370 0.000 0.904 323 L HN 0.329 nan 8.230 nan 0.000 0.435 324 T N -0.151 114.340 114.554 -0.106 0.000 2.788 324 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 324 T C 1.963 176.644 174.700 -0.032 0.000 1.044 324 T CA 1.971 64.044 62.100 -0.044 0.000 1.139 324 T CB -0.288 68.596 68.868 0.027 0.000 0.867 324 T HN 0.317 nan 8.240 nan 0.000 0.454 325 I N 0.624 121.161 120.570 -0.054 0.000 2.252 325 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 325 I C 2.713 178.775 176.117 -0.091 0.000 1.102 325 I CA 1.237 62.502 61.300 -0.059 0.000 1.385 325 I CB -0.279 37.662 38.000 -0.098 0.000 1.064 325 I HN 0.204 nan 8.210 nan 0.000 0.414 326 E N 1.310 121.435 120.200 -0.126 0.000 2.051 326 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 326 E C 2.042 178.590 176.600 -0.087 0.000 0.991 326 E CA 1.347 57.675 56.400 -0.119 0.000 0.799 326 E CB -0.309 29.317 29.700 -0.124 0.000 0.748 326 E HN 0.291 nan 8.360 nan 0.000 0.449 327 L N 1.140 122.310 121.223 -0.088 0.000 2.042 327 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 327 L C 1.264 178.085 176.870 -0.082 0.000 1.076 327 L CA 1.937 56.727 54.840 -0.083 0.000 0.749 327 L CB -0.561 41.441 42.059 -0.096 0.000 0.893 327 L HN 0.171 nan 8.230 nan 0.000 0.432 328 N N -0.056 118.596 118.700 -0.081 0.000 2.383 328 N HA 0.168 4.908 4.740 -0.000 0.000 0.192 328 N C 0.330 175.824 175.510 -0.027 0.000 1.141 328 N CA 0.644 53.660 53.050 -0.057 0.000 0.851 328 N CB 0.135 38.608 38.487 -0.023 0.000 0.976 328 N HN 0.453 nan 8.380 nan 0.000 0.465 329 A N 0.194 122.988 122.820 -0.043 0.000 2.261 329 A HA 0.584 4.904 4.320 -0.000 0.000 0.323 329 A C -0.031 177.530 177.584 -0.038 0.000 1.107 329 A CA -0.421 51.590 52.037 -0.044 0.000 0.883 329 A CB 1.088 20.046 19.000 -0.070 0.000 1.251 329 A HN -0.037 nan 8.150 nan 0.000 0.502 330 V N 1.304 121.195 119.914 -0.037 0.000 2.311 330 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 330 V C 0.897 176.970 176.094 -0.036 0.000 1.022 330 V CA 0.421 62.705 62.300 -0.028 0.000 0.830 330 V CB 0.641 32.449 31.823 -0.025 0.000 1.012 330 V HN 1.031 nan 8.190 nan 0.000 0.452 331 T N -0.625 113.918 114.554 -0.019 0.000 3.186 331 T HA 0.200 4.550 4.350 -0.000 0.000 0.257 331 T C 0.167 174.891 174.700 0.039 0.000 1.029 331 T CA -0.546 61.550 62.100 -0.007 0.000 0.916 331 T CB -0.353 68.521 68.868 0.009 0.000 1.041 331 T HN 0.539 nan 8.240 nan 0.000 0.562 332 D N 2.427 122.842 120.400 0.024 0.000 2.358 332 D HA 0.505 5.145 4.640 -0.000 0.000 0.244 332 D C -0.079 176.243 176.300 0.037 0.000 1.163 332 D CA -0.004 54.025 54.000 0.048 0.000 0.945 332 D CB 0.473 41.285 40.800 0.019 0.000 1.152 332 D HN 0.337 nan 8.370 nan 0.000 0.451 333 N N -0.025 118.723 118.700 0.079 0.000 2.537 333 N HA 0.280 5.019 4.740 -0.000 0.000 0.281 333 N C -2.940 172.594 175.510 0.039 0.000 1.097 333 N CA -1.298 51.773 53.050 0.034 0.000 0.964 333 N CB 1.825 40.457 38.487 0.242 0.000 1.588 333 N HN 0.025 nan 8.380 nan 0.000 0.511 334 P HA 0.327 nan 4.420 nan 0.000 0.279 334 P C -0.875 176.104 177.300 -0.535 0.000 1.282 334 P CA -0.452 62.378 63.100 -0.450 0.000 0.788 334 P CB 0.992 32.230 31.700 -0.771 0.000 1.139 335 V N -3.569 115.949 119.914 -0.661 0.000 3.001 335 V HA 0.641 4.761 4.120 -0.000 0.000 0.314 335 V C -1.006 174.607 176.094 -0.802 0.000 1.099 335 V CA -0.947 60.999 62.300 -0.590 0.000 0.989 335 V CB 1.610 33.279 31.823 -0.257 0.000 1.040 335 V HN 0.225 nan 8.190 nan 0.000 0.434 336 F N 1.900 121.832 119.950 -0.031 0.000 2.366 336 F HA 0.609 5.136 4.527 -0.000 0.000 0.366 336 F C -2.417 173.375 175.800 -0.014 0.000 1.096 336 F CA -2.549 55.439 58.000 -0.019 0.000 1.060 336 F CB 1.355 40.352 39.000 -0.005 0.000 1.282 336 F HN 0.297 nan 8.300 nan 0.000 0.450 337 P HA 0.007 nan 4.420 nan 0.000 0.258 337 P C -2.003 175.338 177.300 0.069 0.000 1.187 337 P CA -0.654 62.476 63.100 0.050 0.000 0.767 337 P CB 0.420 32.136 31.700 0.028 0.000 0.770 338 P HA -0.188 nan 4.420 nan 0.000 0.219 338 P C 0.895 178.215 177.300 0.034 0.000 1.146 338 P CA 1.359 64.485 63.100 0.045 0.000 0.808 338 P CB -0.089 31.630 31.700 0.032 0.000 0.779 339 D N -1.641 118.776 120.400 0.028 0.000 2.347 339 D HA 0.014 4.654 4.640 -0.000 0.000 0.215 339 D C 1.465 177.781 176.300 0.026 0.000 0.976 339 D CA 0.940 54.953 54.000 0.022 0.000 0.884 339 D CB -1.191 39.618 40.800 0.015 0.000 0.915 339 D HN 0.187 nan 8.370 nan 0.000 0.526 340 G N 0.236 109.058 108.800 0.037 0.000 2.155 340 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.257 340 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.257 340 G C 1.211 176.133 174.900 0.036 0.000 0.983 340 G CA 1.191 46.315 45.100 0.040 0.000 0.676 340 G HN 0.634 nan 8.290 nan 0.000 0.528 341 S N -1.344 114.374 115.700 0.030 0.000 2.359 341 S HA 0.176 4.646 4.470 -0.000 0.000 0.224 341 S C 1.254 175.872 174.600 0.030 0.000 1.035 341 S CA 1.928 60.143 58.200 0.024 0.000 1.018 341 S CB -0.470 62.740 63.200 0.017 0.000 0.876 341 S HN 1.997 nan 8.310 nan 0.000 0.448 342 V N -3.013 116.923 119.914 0.037 0.000 3.040 342 V HA 0.573 4.693 4.120 -0.000 0.000 0.312 342 V C -2.456 173.680 176.094 0.071 0.000 1.115 342 V CA -2.221 60.107 62.300 0.046 0.000 0.998 342 V CB 1.258 33.102 31.823 0.035 0.000 1.042 342 V HN -0.097 nan 8.190 nan 0.000 0.433 343 P HA 0.200 nan 4.420 nan 0.000 0.217 343 P C 0.287 177.709 177.300 0.204 0.000 1.150 343 P CA 2.119 65.304 63.100 0.142 0.000 0.832 343 P CB 0.183 31.965 31.700 0.137 0.000 0.787 344 A N -2.040 120.844 122.820 0.107 0.000 2.601 344 A HA 0.640 4.960 4.320 -0.000 0.000 0.291 344 A C -1.930 175.593 177.584 -0.102 0.000 1.075 344 A CA -0.557 51.447 52.037 -0.055 0.000 0.671 344 A CB 0.440 19.371 19.000 -0.114 0.000 1.277 344 A HN -0.059 nan 8.150 nan 0.000 0.417 345 L N 1.038 122.105 121.223 -0.261 0.000 2.365 345 L HA 0.602 4.942 4.340 -0.000 0.000 0.273 345 L C -1.102 175.570 176.870 -0.329 0.000 1.000 345 L CA -0.664 54.072 54.840 -0.173 0.000 0.819 345 L CB 2.212 44.191 42.059 -0.135 0.000 1.284 345 L HN 0.840 nan 8.230 nan 0.000 0.418 346 H N 1.200 120.205 119.070 -0.108 0.000 2.539 346 H HA 0.747 5.303 4.556 -0.000 0.000 0.332 346 H C 0.164 175.433 175.328 -0.099 0.000 1.031 346 H CA -0.171 55.815 56.048 -0.103 0.000 1.206 346 H CB 1.967 31.671 29.762 -0.097 0.000 1.446 346 H HN 0.753 nan 8.280 nan 0.000 0.496 347 G N 0.698 109.478 108.800 -0.032 0.000 2.793 347 G HA2 0.446 4.406 3.960 -0.000 0.000 0.248 347 G HA3 0.446 4.406 3.960 -0.000 0.000 0.248 347 G C -0.224 174.538 174.900 -0.230 0.000 1.198 347 G CA -0.319 44.721 45.100 -0.101 0.000 0.865 347 G HN 0.651 nan 8.290 nan 0.000 0.534 348 G N -0.006 108.534 108.800 -0.434 0.000 4.543 348 G HA2 0.278 4.238 3.960 -0.000 0.000 0.286 348 G HA3 0.278 4.238 3.960 -0.000 0.000 0.286 348 G C 0.296 174.579 174.900 -1.028 0.000 1.112 348 G CA -0.135 44.336 45.100 -1.049 0.000 0.870 348 G HN 0.267 nan 8.290 nan 0.000 0.540 349 N N 0.906 119.229 118.700 -0.629 0.000 2.609 349 N HA -0.053 4.686 4.740 -0.000 0.000 0.190 349 N C 1.491 176.843 175.510 -0.264 0.000 1.157 349 N CA 0.387 53.228 53.050 -0.349 0.000 0.918 349 N CB -0.166 38.208 38.487 -0.189 0.000 0.978 349 N HN 0.633 nan 8.380 nan 0.000 0.448 350 F N -1.209 118.723 119.950 -0.029 0.000 2.789 350 F HA 0.328 4.855 4.527 -0.000 0.000 0.300 350 F C 0.841 176.638 175.800 -0.005 0.000 1.132 350 F CA -0.807 57.181 58.000 -0.020 0.000 1.404 350 F CB -0.748 38.238 39.000 -0.023 0.000 1.114 350 F HN -0.165 nan 8.300 nan 0.000 0.584 351 M N 2.807 122.382 119.600 -0.042 0.000 2.435 351 M HA 0.335 4.815 4.480 -0.000 0.000 0.338 351 M C 0.933 177.278 176.300 0.075 0.000 1.628 351 M CA -0.476 54.879 55.300 0.091 0.000 1.215 351 M CB 0.115 32.686 32.600 -0.048 0.000 1.905 351 M HN 0.242 nan 8.290 nan 0.000 0.457 352 G N 3.628 112.492 108.800 0.106 0.000 3.471 352 G HA2 0.055 4.014 3.960 -0.000 0.000 0.254 352 G HA3 0.055 4.014 3.960 -0.000 0.000 0.254 352 G C 0.644 175.579 174.900 0.059 0.000 1.199 352 G CA -0.217 44.930 45.100 0.077 0.000 1.683 352 G HN 0.819 nan 8.290 nan 0.000 0.625 353 Q N -0.017 119.813 119.800 0.050 0.000 2.167 353 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 353 Q C 1.940 177.906 176.000 -0.057 0.000 0.970 353 Q CA 1.396 57.194 55.803 -0.009 0.000 0.855 353 Q CB -0.105 28.603 28.738 -0.050 0.000 0.911 353 Q HN 0.725 nan 8.270 nan 0.000 0.438 354 H N -1.677 117.370 119.070 -0.038 0.000 2.321 354 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 354 H C 1.800 177.050 175.328 -0.131 0.000 1.087 354 H CA 1.790 57.789 56.048 -0.082 0.000 1.319 354 H CB -0.013 29.688 29.762 -0.102 0.000 1.379 354 H HN 0.066 nan 8.280 nan 0.000 0.501 355 V N 0.465 120.388 119.914 0.015 0.000 2.515 355 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 355 V C 2.475 178.560 176.094 -0.015 0.000 1.058 355 V CA 1.357 63.629 62.300 -0.046 0.000 1.064 355 V CB -0.877 30.931 31.823 -0.024 0.000 0.675 355 V HN 0.570 nan 8.190 nan 0.000 0.461 356 A N 0.082 122.906 122.820 0.006 0.000 1.858 356 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 356 A C 2.199 179.798 177.584 0.025 0.000 1.190 356 A CA 1.826 53.876 52.037 0.022 0.000 0.617 356 A CB -0.527 18.488 19.000 0.024 0.000 0.827 356 A HN 0.482 nan 8.150 nan 0.000 0.443 357 L N -0.148 121.080 121.223 0.007 0.000 2.056 357 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 357 L C 3.022 179.938 176.870 0.076 0.000 1.078 357 L CA 1.827 56.701 54.840 0.057 0.000 0.749 357 L CB -1.002 41.105 42.059 0.079 0.000 0.901 357 L HN 0.668 nan 8.230 nan 0.000 0.433 358 T N -4.403 110.094 114.554 -0.095 0.000 2.821 358 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 358 T C 2.056 176.829 174.700 0.121 0.000 1.046 358 T CA 1.335 63.325 62.100 -0.183 0.000 1.139 358 T CB -0.320 68.230 68.868 -0.531 0.000 0.871 358 T HN 0.117 nan 8.240 nan 0.000 0.454 359 S N 1.607 117.379 115.700 0.119 0.000 2.356 359 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 359 S C 1.892 176.553 174.600 0.101 0.000 1.032 359 S CA 1.369 59.658 58.200 0.148 0.000 1.005 359 S CB -0.618 62.646 63.200 0.107 0.000 0.867 359 S HN 0.535 nan 8.310 nan 0.000 0.449 360 D N 1.467 121.922 120.400 0.091 0.000 2.117 360 D HA -0.009 4.631 4.640 -0.000 0.000 0.197 360 D C 2.118 178.472 176.300 0.090 0.000 0.987 360 D CA 1.203 55.251 54.000 0.079 0.000 0.829 360 D CB -0.449 40.393 40.800 0.070 0.000 0.961 360 D HN 0.380 nan 8.370 nan 0.000 0.460 361 A N 0.678 123.587 122.820 0.148 0.000 1.902 361 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 361 A C 2.153 179.810 177.584 0.120 0.000 1.181 361 A CA 0.969 53.112 52.037 0.178 0.000 0.623 361 A CB -0.681 18.549 19.000 0.384 0.000 0.818 361 A HN 0.243 nan 8.150 nan 0.000 0.443 362 L N -0.213 121.075 121.223 0.108 0.000 2.056 362 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 362 L C 2.660 179.519 176.870 -0.018 0.000 1.078 362 L CA 2.091 56.942 54.840 0.019 0.000 0.749 362 L CB -0.817 41.179 42.059 -0.105 0.000 0.901 362 L HN 0.341 nan 8.230 nan 0.000 0.433 363 A N -1.536 121.286 122.820 0.003 0.000 1.908 363 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 363 A C 2.265 179.827 177.584 -0.038 0.000 1.181 363 A CA 2.396 54.428 52.037 -0.009 0.000 0.627 363 A CB -1.219 17.792 19.000 0.019 0.000 0.818 363 A HN 0.519 nan 8.150 nan 0.000 0.445 364 T N 0.191 114.732 114.554 -0.022 0.000 2.737 364 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 364 T C 2.255 176.901 174.700 -0.091 0.000 1.038 364 T CA 1.577 63.651 62.100 -0.042 0.000 1.144 364 T CB -0.482 68.376 68.868 -0.016 0.000 0.866 364 T HN 0.612 nan 8.240 nan 0.000 0.434 365 A N 1.017 123.785 122.820 -0.087 0.000 1.908 365 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 365 A C 2.586 180.001 177.584 -0.281 0.000 1.181 365 A CA 1.413 53.365 52.037 -0.142 0.000 0.627 365 A CB -1.082 17.869 19.000 -0.081 0.000 0.818 365 A HN 0.352 nan 8.150 nan 0.000 0.445 366 V N -0.254 119.486 119.914 -0.290 0.000 2.343 366 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 366 V C 2.753 178.534 176.094 -0.523 0.000 1.051 366 V CA 2.507 64.498 62.300 -0.515 0.000 1.036 366 V CB -1.240 30.444 31.823 -0.230 0.000 0.654 366 V HN 0.624 nan 8.190 nan 0.000 0.451 367 T N -0.184 114.205 114.554 -0.274 0.000 2.746 367 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 367 T C 1.942 176.507 174.700 -0.224 0.000 1.039 367 T CA 1.567 63.545 62.100 -0.204 0.000 1.142 367 T CB -0.214 68.590 68.868 -0.106 0.000 0.866 367 T HN 0.278 nan 8.240 nan 0.000 0.444 368 V N 1.208 120.989 119.914 -0.222 0.000 2.295 368 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 368 V C 2.415 178.365 176.094 -0.240 0.000 1.049 368 V CA 1.394 63.582 62.300 -0.187 0.000 1.024 368 V CB -0.584 31.143 31.823 -0.159 0.000 0.648 368 V HN 0.317 nan 8.190 nan 0.000 0.447 369 L N 0.280 121.266 121.223 -0.395 0.000 2.141 369 L HA -0.040 4.300 4.340 -0.000 0.000 0.209 369 L C 2.531 179.167 176.870 -0.390 0.000 1.094 369 L CA 2.051 56.638 54.840 -0.422 0.000 0.763 369 L CB -1.156 40.523 42.059 -0.632 0.000 0.908 369 L HN 0.288 nan 8.230 nan 0.000 0.437 370 A N -0.612 121.847 122.820 -0.602 0.000 1.969 370 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 370 A C 2.417 179.969 177.584 -0.054 0.000 1.169 370 A CA 1.429 53.311 52.037 -0.258 0.000 0.635 370 A CB -1.170 17.706 19.000 -0.205 0.000 0.810 370 A HN 0.420 nan 8.150 nan 0.000 0.445 371 G N -0.068 108.673 108.800 -0.099 0.000 2.408 371 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 371 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 371 G C 1.468 176.366 174.900 -0.004 0.000 1.150 371 G CA 1.146 46.224 45.100 -0.038 0.000 0.776 371 G HN 0.499 nan 8.290 nan 0.000 0.542 372 L N 1.487 122.701 121.223 -0.015 0.000 2.017 372 L HA 0.118 4.458 4.340 -0.000 0.000 0.208 372 L C 3.027 179.937 176.870 0.066 0.000 1.073 372 L CA 2.359 57.214 54.840 0.024 0.000 0.745 372 L CB -0.833 41.232 42.059 0.011 0.000 0.894 372 L HN 0.218 nan 8.230 nan 0.000 0.432 373 A N -0.840 122.043 122.820 0.106 0.000 1.908 373 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 373 A C 2.328 179.970 177.584 0.097 0.000 1.181 373 A CA 1.770 53.891 52.037 0.140 0.000 0.627 373 A CB -0.824 18.322 19.000 0.242 0.000 0.818 373 A HN 0.608 nan 8.150 nan 0.000 0.445 374 E N -0.059 120.190 120.200 0.082 0.000 2.077 374 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 374 E C 2.049 178.681 176.600 0.054 0.000 0.989 374 E CA 0.936 57.374 56.400 0.063 0.000 0.800 374 E CB -0.213 29.517 29.700 0.051 0.000 0.746 374 E HN 0.380 nan 8.360 nan 0.000 0.452 375 R N 0.289 120.818 120.500 0.049 0.000 2.148 375 R HA -0.025 4.315 4.340 -0.000 0.000 0.223 375 R C 2.359 178.687 176.300 0.048 0.000 1.088 375 R CA 0.772 56.898 56.100 0.043 0.000 0.985 375 R CB -0.343 29.980 30.300 0.039 0.000 0.880 375 R HN 0.404 nan 8.270 nan 0.000 0.451 376 Q N -0.003 119.832 119.800 0.058 0.000 2.119 376 Q HA -0.022 4.318 4.340 -0.000 0.000 0.201 376 Q C 2.162 178.187 176.000 0.041 0.000 0.972 376 Q CA 1.057 56.895 55.803 0.058 0.000 0.847 376 Q CB -0.044 28.739 28.738 0.075 0.000 0.903 376 Q HN 0.307 nan 8.270 nan 0.000 0.433 377 I N 0.637 121.232 120.570 0.040 0.000 2.202 377 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 377 I C 2.418 178.561 176.117 0.043 0.000 1.091 377 I CA 0.902 62.219 61.300 0.028 0.000 1.368 377 I CB -0.423 37.598 38.000 0.034 0.000 1.058 377 I HN 0.144 nan 8.210 nan 0.000 0.410 378 A N 0.767 123.619 122.820 0.053 0.000 1.978 378 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 378 A C 2.432 180.035 177.584 0.032 0.000 1.170 378 A CA 1.861 53.933 52.037 0.060 0.000 0.636 378 A CB -0.618 18.415 19.000 0.054 0.000 0.810 378 A HN 0.397 nan 8.150 nan 0.000 0.448 379 R N -1.015 119.498 120.500 0.021 0.000 2.075 379 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 379 R C 1.993 178.286 176.300 -0.012 0.000 1.114 379 R CA 1.264 57.366 56.100 0.004 0.000 0.972 379 R CB -0.371 29.938 30.300 0.015 0.000 0.869 379 R HN 0.390 nan 8.270 nan 0.000 0.437 380 L N 1.183 122.403 121.223 -0.004 0.000 2.131 380 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 380 L C 1.907 178.755 176.870 -0.037 0.000 1.092 380 L CA 2.301 57.130 54.840 -0.018 0.000 0.759 380 L CB -0.331 41.717 42.059 -0.018 0.000 0.903 380 L HN 0.423 nan 8.230 nan 0.000 0.435 381 T N -4.451 110.085 114.554 -0.029 0.000 3.081 381 T HA 0.040 4.390 4.350 -0.000 0.000 0.250 381 T C 0.722 175.231 174.700 -0.320 0.000 1.100 381 T CA -0.180 61.884 62.100 -0.061 0.000 1.038 381 T CB -0.426 68.538 68.868 0.160 0.000 0.962 381 T HN 0.224 nan 8.240 nan 0.000 0.516 382 D N 2.695 122.966 120.400 -0.215 0.000 2.316 382 D HA 0.069 4.709 4.640 -0.000 0.000 0.245 382 D C 1.269 177.446 176.300 -0.205 0.000 1.171 382 D CA -0.291 53.556 54.000 -0.255 0.000 0.856 382 D CB 1.310 42.043 40.800 -0.112 0.000 1.090 382 D HN 0.619 nan 8.370 nan 0.000 0.476 383 E N 3.183 123.233 120.200 -0.250 0.000 2.401 383 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 383 E C 1.024 177.574 176.600 -0.084 0.000 1.023 383 E CA 0.709 57.024 56.400 -0.141 0.000 0.859 383 E CB 0.147 29.775 29.700 -0.120 0.000 0.780 383 E HN 0.356 nan 8.360 nan 0.000 0.523 384 R N -0.007 120.445 120.500 -0.081 0.000 2.254 384 R HA 0.210 4.550 4.340 -0.000 0.000 0.195 384 R C 1.688 177.962 176.300 -0.043 0.000 0.957 384 R CA 0.435 56.506 56.100 -0.049 0.000 1.024 384 R CB 0.259 30.535 30.300 -0.039 0.000 0.952 384 R HN 0.248 nan 8.270 nan 0.000 0.484 385 L N 0.298 121.490 121.223 -0.051 0.000 2.817 385 L HA 0.141 4.481 4.340 -0.000 0.000 0.248 385 L C 0.479 177.329 176.870 -0.034 0.000 1.133 385 L CA -0.106 54.711 54.840 -0.037 0.000 0.935 385 L CB 0.235 42.274 42.059 -0.033 0.000 1.266 385 L HN 0.117 nan 8.230 nan 0.000 0.535 386 N N 0.710 119.383 118.700 -0.044 0.000 2.322 386 N HA -0.009 4.731 4.740 -0.000 0.000 0.216 386 N C 0.018 175.512 175.510 -0.026 0.000 1.144 386 N CA -0.391 52.638 53.050 -0.035 0.000 0.830 386 N CB -0.119 38.340 38.487 -0.046 0.000 1.034 386 N HN 0.044 nan 8.380 nan 0.000 0.484 387 R N -0.255 120.230 120.500 -0.025 0.000 3.188 387 R HA -0.175 4.165 4.340 -0.000 0.000 0.247 387 R C 0.794 177.083 176.300 -0.017 0.000 0.918 387 R CA 0.538 56.627 56.100 -0.019 0.000 0.629 387 R CB -2.070 28.221 30.300 -0.016 0.000 1.087 387 R HN 0.643 nan 8.270 nan 0.000 0.462 388 G N -0.905 107.884 108.800 -0.019 0.000 2.194 388 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.236 388 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.236 388 G C 0.278 175.169 174.900 -0.014 0.000 0.987 388 G CA 0.069 45.161 45.100 -0.014 0.000 0.635 388 G HN 0.280 nan 8.290 nan 0.000 0.520 389 L N 1.691 122.903 121.223 -0.020 0.000 2.436 389 L HA 0.402 4.742 4.340 -0.000 0.000 0.265 389 L C -1.565 175.294 176.870 -0.018 0.000 1.168 389 L CA -1.969 52.859 54.840 -0.019 0.000 0.815 389 L CB 0.572 42.620 42.059 -0.019 0.000 1.109 389 L HN -0.078 nan 8.230 nan 0.000 0.462 390 P HA 0.030 nan 4.420 nan 0.000 0.267 390 P C -2.477 174.863 177.300 0.065 0.000 1.200 390 P CA -0.883 62.228 63.100 0.018 0.000 0.772 390 P CB -0.221 31.384 31.700 -0.159 0.000 0.855 391 P HA 0.004 nan 4.420 nan 0.000 0.266 391 P C -0.281 177.068 177.300 0.082 0.000 1.215 391 P CA 0.334 63.377 63.100 -0.096 0.000 0.763 391 P CB -0.197 31.478 31.700 -0.042 0.000 0.806 392 F N 1.740 121.790 119.950 0.166 0.000 3.034 392 F HA -0.240 4.287 4.527 -0.000 0.000 0.286 392 F C 1.318 177.297 175.800 0.299 0.000 0.804 392 F CA 0.295 58.418 58.000 0.204 0.000 1.161 392 F CB -2.653 36.456 39.000 0.181 0.000 1.317 392 F HN 0.271 nan 8.300 nan 0.000 0.453 393 L N -1.745 119.656 121.223 0.296 0.000 3.839 393 L HA -0.323 4.017 4.340 -0.000 0.000 0.416 393 L C 1.412 178.444 176.870 0.270 0.000 1.195 393 L CA 1.040 56.032 54.840 0.253 0.000 0.946 393 L CB -2.038 40.187 42.059 0.277 0.000 1.891 393 L HN 0.706 nan 8.230 nan 0.000 0.963 394 H N 0.622 119.818 119.070 0.212 0.000 2.660 394 H HA 0.644 5.200 4.556 -0.000 0.000 0.374 394 H C 0.299 175.683 175.328 0.093 0.000 1.291 394 H CA -0.290 55.836 56.048 0.130 0.000 1.437 394 H CB 0.803 30.632 29.762 0.112 0.000 1.509 394 H HN 0.302 nan 8.280 nan 0.000 0.614 395 R N -0.415 120.072 120.500 -0.021 0.000 2.837 395 R HA 0.479 4.819 4.340 -0.000 0.000 0.271 395 R C -0.469 175.911 176.300 0.134 0.000 0.993 395 R CA -0.256 55.806 56.100 -0.062 0.000 0.931 395 R CB 2.246 32.540 30.300 -0.010 0.000 1.206 395 R HN 1.133 nan 8.270 nan 0.000 0.474 396 G N 1.566 110.426 108.800 0.100 0.000 2.757 396 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.638 396 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.638 396 G C -2.776 172.249 174.900 0.208 0.000 1.344 396 G CA -1.281 43.895 45.100 0.127 0.000 0.855 396 G HN 0.376 nan 8.290 nan 0.000 0.537 397 P HA 0.432 nan 4.420 nan 0.000 0.265 397 P C 0.395 177.729 177.300 0.057 0.000 1.193 397 P CA 0.864 64.028 63.100 0.107 0.000 0.765 397 P CB 0.650 32.380 31.700 0.049 0.000 0.823 398 A N 3.344 126.180 122.820 0.027 0.000 2.477 398 A HA 0.485 4.805 4.320 -0.000 0.000 0.246 398 A C 1.552 179.034 177.584 -0.171 0.000 1.078 398 A CA 0.821 52.684 52.037 -0.289 0.000 0.770 398 A CB -0.947 17.983 19.000 -0.118 0.000 1.011 398 A HN 0.815 nan 8.150 nan 0.000 0.494 399 G N 0.849 109.524 108.800 -0.208 0.000 2.729 399 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 399 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 399 G C 1.058 175.911 174.900 -0.079 0.000 1.252 399 G CA 0.419 45.460 45.100 -0.099 0.000 0.751 399 G HN 0.800 nan 8.290 nan 0.000 0.527 400 L N 1.015 122.200 121.223 -0.063 0.000 2.201 400 L HA 0.159 4.499 4.340 -0.000 0.000 0.212 400 L C 0.814 177.659 176.870 -0.043 0.000 1.105 400 L CA 0.865 55.682 54.840 -0.037 0.000 0.775 400 L CB -0.246 41.805 42.059 -0.014 0.000 0.913 400 L HN 0.304 nan 8.230 nan 0.000 0.440 401 N N -1.478 117.181 118.700 -0.069 0.000 2.269 401 N HA 0.219 4.959 4.740 -0.000 0.000 0.304 401 N C -0.124 175.322 175.510 -0.107 0.000 1.072 401 N CA -0.132 52.889 53.050 -0.048 0.000 0.802 401 N CB 2.137 40.659 38.487 0.059 0.000 1.348 401 N HN -0.227 nan 8.380 nan 0.000 0.484 402 S N 0.005 115.675 115.700 -0.050 0.000 2.603 402 S HA 0.253 4.723 4.470 -0.000 0.000 0.232 402 S C 1.241 175.874 174.600 0.055 0.000 1.016 402 S CA 0.025 58.201 58.200 -0.039 0.000 0.976 402 S CB 0.565 63.691 63.200 -0.122 0.000 0.921 402 S HN 0.930 nan 8.310 nan 0.000 0.516 403 G N 2.539 111.375 108.800 0.059 0.000 2.660 403 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.321 403 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.321 403 G C 0.278 175.087 174.900 -0.152 0.000 1.246 403 G CA 0.922 46.023 45.100 0.002 0.000 1.000 403 G HN 0.468 nan 8.290 nan 0.000 0.550 404 F N 1.296 121.329 119.950 0.138 0.000 2.664 404 F HA 0.458 4.985 4.527 -0.000 0.000 0.301 404 F C 2.437 178.256 175.800 0.031 0.000 1.126 404 F CA 0.941 58.995 58.000 0.090 0.000 1.373 404 F CB 0.106 39.179 39.000 0.121 0.000 1.042 404 F HN 0.320 nan 8.300 nan 0.000 0.535 405 M N 0.043 119.632 119.600 -0.018 0.000 2.144 405 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 405 M C 2.351 178.510 176.300 -0.235 0.000 1.067 405 M CA 2.234 57.238 55.300 -0.493 0.000 1.095 405 M CB -0.439 31.593 32.600 -0.948 0.000 1.365 405 M HN 0.304 nan 8.290 nan 0.000 0.406 406 G N -0.921 107.806 108.800 -0.122 0.000 2.394 406 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.214 406 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.214 406 G C 1.482 176.383 174.900 0.003 0.000 1.176 406 G CA 0.678 45.737 45.100 -0.068 0.000 0.786 406 G HN 0.610 nan 8.290 nan 0.000 0.533 407 A N 0.021 122.882 122.820 0.067 0.000 1.978 407 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 407 A C 2.267 179.915 177.584 0.107 0.000 1.170 407 A CA 2.058 54.166 52.037 0.117 0.000 0.636 407 A CB -0.408 18.743 19.000 0.251 0.000 0.810 407 A HN 0.389 nan 8.150 nan 0.000 0.448 408 Q N 0.079 119.955 119.800 0.126 0.000 2.084 408 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 408 Q C 2.104 178.150 176.000 0.077 0.000 0.978 408 Q CA 2.032 57.908 55.803 0.121 0.000 0.844 408 Q CB -0.308 28.551 28.738 0.202 0.000 0.898 408 Q HN 0.431 nan 8.270 nan 0.000 0.426 409 V N 0.577 120.516 119.914 0.043 0.000 2.358 409 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 409 V C 2.396 178.506 176.094 0.027 0.000 1.047 409 V CA 2.064 64.380 62.300 0.026 0.000 1.035 409 V CB -0.899 30.921 31.823 -0.006 0.000 0.658 409 V HN 0.383 nan 8.190 nan 0.000 0.452 410 T N 0.466 115.036 114.554 0.027 0.000 2.720 410 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 410 T C 2.061 176.781 174.700 0.034 0.000 1.037 410 T CA 1.709 63.825 62.100 0.026 0.000 1.144 410 T CB -0.425 68.460 68.868 0.027 0.000 0.864 410 T HN 0.583 nan 8.240 nan 0.000 0.444 411 A N 1.149 123.995 122.820 0.043 0.000 1.908 411 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 411 A C 2.557 180.168 177.584 0.045 0.000 1.181 411 A CA 2.162 54.227 52.037 0.047 0.000 0.627 411 A CB -1.222 17.809 19.000 0.053 0.000 0.818 411 A HN 0.485 nan 8.150 nan 0.000 0.445 412 T N 0.195 114.775 114.554 0.043 0.000 2.788 412 T HA 0.009 4.359 4.350 -0.000 0.000 0.268 412 T C 2.191 176.908 174.700 0.029 0.000 1.044 412 T CA 1.477 63.599 62.100 0.037 0.000 1.139 412 T CB -0.394 68.497 68.868 0.037 0.000 0.867 412 T HN 0.599 nan 8.240 nan 0.000 0.454 413 A N 1.228 124.064 122.820 0.026 0.000 1.930 413 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 413 A C 2.276 179.874 177.584 0.024 0.000 1.175 413 A CA 1.050 53.099 52.037 0.021 0.000 0.627 413 A CB -0.762 18.249 19.000 0.017 0.000 0.815 413 A HN 0.474 nan 8.150 nan 0.000 0.443 414 L N -1.088 120.153 121.223 0.030 0.000 2.093 414 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 414 L C 2.540 179.431 176.870 0.035 0.000 1.085 414 L CA 1.023 55.884 54.840 0.035 0.000 0.755 414 L CB -0.519 41.566 42.059 0.043 0.000 0.904 414 L HN 0.457 nan 8.230 nan 0.000 0.435 415 L N 0.249 121.492 121.223 0.034 0.000 2.027 415 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 415 L C 2.679 179.557 176.870 0.014 0.000 1.074 415 L CA 1.940 56.795 54.840 0.024 0.000 0.745 415 L CB -0.740 41.332 42.059 0.023 0.000 0.898 415 L HN 0.121 nan 8.230 nan 0.000 0.433 416 A N -0.696 122.134 122.820 0.016 0.000 1.917 416 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 416 A C 2.338 179.929 177.584 0.012 0.000 1.182 416 A CA 2.074 54.118 52.037 0.012 0.000 0.633 416 A CB -0.836 18.172 19.000 0.013 0.000 0.819 416 A HN 0.642 nan 8.150 nan 0.000 0.448 417 E N -0.706 119.503 120.200 0.015 0.000 2.077 417 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 417 E C 2.070 178.680 176.600 0.016 0.000 0.989 417 E CA 1.388 57.797 56.400 0.016 0.000 0.800 417 E CB -0.211 29.500 29.700 0.019 0.000 0.746 417 E HN 0.684 nan 8.360 nan 0.000 0.452 418 M N -0.005 119.605 119.600 0.017 0.000 2.108 418 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 418 M C 2.364 178.667 176.300 0.006 0.000 1.066 418 M CA 1.587 56.895 55.300 0.014 0.000 1.107 418 M CB -0.252 32.353 32.600 0.008 0.000 1.356 418 M HN 0.022 nan 8.290 nan 0.000 0.406 419 R N 0.152 120.653 120.500 0.002 0.000 2.193 419 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 419 R C 2.232 178.536 176.300 0.007 0.000 1.110 419 R CA 1.191 57.291 56.100 -0.001 0.000 0.988 419 R CB -0.484 29.814 30.300 -0.002 0.000 0.871 419 R HN 0.397 nan 8.270 nan 0.000 0.458 420 A N 0.493 123.319 122.820 0.010 0.000 2.067 420 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 420 A C 0.853 178.448 177.584 0.017 0.000 1.158 420 A CA 0.962 53.006 52.037 0.012 0.000 0.661 420 A CB 0.070 19.076 19.000 0.011 0.000 0.801 420 A HN 0.118 nan 8.150 nan 0.000 0.452 421 T N 0.243 114.808 114.554 0.019 0.000 2.767 421 T HA 0.543 4.893 4.350 -0.000 0.000 0.284 421 T C 0.484 175.205 174.700 0.036 0.000 0.973 421 T CA 0.052 62.168 62.100 0.027 0.000 0.996 421 T CB 1.492 70.375 68.868 0.025 0.000 0.927 421 T HN 0.377 nan 8.240 nan 0.000 0.456 422 G N 3.178 112.012 108.800 0.057 0.000 2.828 422 G HA2 0.656 4.615 3.960 -0.000 0.000 0.244 422 G HA3 0.656 4.615 3.960 -0.000 0.000 0.244 422 G C -2.611 172.337 174.900 0.079 0.000 1.365 422 G CA -1.567 43.570 45.100 0.062 0.000 1.041 422 G HN 0.435 nan 8.290 nan 0.000 0.560 423 P HA 0.266 nan 4.420 nan 0.000 0.266 423 P C 0.309 177.677 177.300 0.113 0.000 1.195 423 P CA 0.354 63.491 63.100 0.062 0.000 0.768 423 P CB 1.354 33.066 31.700 0.020 0.000 0.838 424 A N 2.107 124.995 122.820 0.114 0.000 1.984 424 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 424 A C 2.019 179.681 177.584 0.131 0.000 1.173 424 A CA 1.029 53.173 52.037 0.177 0.000 0.673 424 A CB -0.984 18.085 19.000 0.115 0.000 0.830 424 A HN 0.478 nan 8.150 nan 0.000 0.453 425 S N 0.647 116.376 115.700 0.048 0.000 2.419 425 S HA -0.167 4.303 4.470 -0.000 0.000 0.235 425 S C 1.671 176.241 174.600 -0.050 0.000 1.019 425 S CA 1.497 59.704 58.200 0.012 0.000 0.982 425 S CB -0.684 62.521 63.200 0.009 0.000 0.789 425 S HN 0.798 nan 8.310 nan 0.000 0.490 426 I N -1.317 119.151 120.570 -0.171 0.000 3.444 426 I HA 0.061 4.231 4.170 -0.000 0.000 0.287 426 I C 0.759 176.659 176.117 -0.362 0.000 1.302 426 I CA 0.946 62.078 61.300 -0.279 0.000 1.368 426 I CB -0.358 37.425 38.000 -0.362 0.000 1.048 426 I HN 0.157 nan 8.210 nan 0.000 0.487 427 H N 1.254 120.335 119.070 0.018 0.000 2.524 427 H HA 0.313 4.869 4.556 -0.000 0.000 0.299 427 H C 0.678 176.017 175.328 0.019 0.000 1.074 427 H CA -0.217 55.841 56.048 0.017 0.000 1.115 427 H CB 0.084 29.856 29.762 0.017 0.000 1.522 427 H HN 0.310 nan 8.280 nan 0.000 0.543 428 S N 1.196 116.941 115.700 0.075 0.000 2.552 428 S HA 0.193 4.663 4.470 -0.000 0.000 0.289 428 S C 0.278 174.916 174.600 0.063 0.000 1.304 428 S CA -0.189 58.050 58.200 0.064 0.000 1.063 428 S CB 0.037 63.260 63.200 0.038 0.000 0.848 428 S HN 0.298 nan 8.310 nan 0.000 0.499 429 I N 3.244 123.849 120.570 0.059 0.000 2.569 429 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 429 I C 0.036 176.178 176.117 0.042 0.000 1.088 429 I CA -0.652 60.678 61.300 0.049 0.000 1.047 429 I CB 2.121 40.150 38.000 0.049 0.000 1.237 429 I HN 0.571 nan 8.210 nan 0.000 0.421 430 S N 3.900 119.622 115.700 0.036 0.000 2.525 430 S HA 0.233 4.703 4.470 -0.000 0.000 0.285 430 S C -0.182 174.438 174.600 0.033 0.000 1.283 430 S CA 0.483 58.704 58.200 0.034 0.000 1.072 430 S CB 0.187 63.405 63.200 0.030 0.000 0.867 430 S HN 0.769 nan 8.310 nan 0.000 0.492 431 T N 3.229 117.804 114.554 0.035 0.000 2.696 431 T HA 0.416 4.766 4.350 -0.000 0.000 0.291 431 T C -0.434 174.286 174.700 0.034 0.000 1.095 431 T CA -0.165 61.955 62.100 0.033 0.000 1.026 431 T CB 0.831 69.719 68.868 0.034 0.000 1.390 431 T HN 0.897 nan 8.240 nan 0.000 0.513 432 N N 0.719 119.439 118.700 0.033 0.000 2.708 432 N HA -0.222 4.518 4.740 -0.000 0.000 0.255 432 N C 0.262 175.792 175.510 0.033 0.000 1.046 432 N CA 0.773 53.844 53.050 0.035 0.000 0.715 432 N CB -1.170 37.341 38.487 0.040 0.000 0.895 432 N HN 1.559 nan 8.380 nan 0.000 0.545 433 A N -0.204 122.632 122.820 0.028 0.000 2.704 433 A HA 0.009 4.329 4.320 -0.000 0.000 0.299 433 A C 1.396 178.997 177.584 0.027 0.000 1.507 433 A CA 2.086 54.138 52.037 0.025 0.000 0.776 433 A CB -2.217 16.797 19.000 0.023 0.000 1.027 433 A HN 2.272 nan 8.150 nan 0.000 0.475 434 A N -2.165 120.672 122.820 0.029 0.000 3.413 434 A HA -0.380 3.940 4.320 -0.000 0.000 0.268 434 A C 1.450 179.054 177.584 0.034 0.000 1.128 434 A CA 2.158 54.212 52.037 0.030 0.000 1.062 434 A CB -2.524 16.491 19.000 0.025 0.000 1.121 434 A HN 2.249 nan 8.150 nan 0.000 0.895 435 N N -0.006 118.717 118.700 0.038 0.000 2.142 435 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 435 N C 1.011 176.552 175.510 0.051 0.000 1.023 435 N CA 1.879 54.956 53.050 0.045 0.000 0.852 435 N CB -0.183 38.334 38.487 0.051 0.000 0.998 435 N HN 0.750 nan 8.380 nan 0.000 0.424 436 Q N 0.582 120.412 119.800 0.049 0.000 3.150 436 Q HA 0.057 4.397 4.340 -0.000 0.000 0.297 436 Q C -0.405 175.626 176.000 0.052 0.000 1.382 436 Q CA -0.244 55.594 55.803 0.058 0.000 1.059 436 Q CB 0.458 29.224 28.738 0.048 0.000 1.559 436 Q HN 0.529 nan 8.270 nan 0.000 0.548 437 D N -0.497 119.932 120.400 0.048 0.000 2.350 437 D HA -0.080 4.560 4.640 -0.000 0.000 0.216 437 D C 0.624 176.948 176.300 0.040 0.000 0.968 437 D CA 0.402 54.426 54.000 0.040 0.000 0.894 437 D CB 0.080 40.900 40.800 0.033 0.000 0.909 437 D HN 0.199 nan 8.370 nan 0.000 0.520 438 V N -1.888 118.055 119.914 0.048 0.000 2.808 438 V HA 0.749 4.869 4.120 -0.000 0.000 0.308 438 V C -0.463 175.668 176.094 0.061 0.000 1.099 438 V CA -1.209 61.119 62.300 0.046 0.000 0.920 438 V CB 1.889 33.734 31.823 0.036 0.000 1.014 438 V HN 0.112 nan 8.190 nan 0.000 0.425 439 V N 0.936 120.885 119.914 0.058 0.000 2.925 439 V HA 0.759 4.879 4.120 -0.000 0.000 0.311 439 V C 1.090 177.221 176.094 0.061 0.000 1.104 439 V CA 0.278 62.619 62.300 0.070 0.000 0.954 439 V CB 1.440 33.302 31.823 0.064 0.000 1.022 439 V HN 1.344 nan 8.190 nan 0.000 0.427 440 S N 2.965 118.706 115.700 0.068 0.000 2.414 440 S HA 0.046 4.516 4.470 -0.000 0.000 0.227 440 S C 1.195 175.827 174.600 0.053 0.000 1.022 440 S CA 1.227 59.459 58.200 0.054 0.000 0.958 440 S CB -0.903 62.332 63.200 0.059 0.000 0.797 440 S HN 1.399 nan 8.310 nan 0.000 0.493 441 L N 0.265 121.523 121.223 0.059 0.000 4.001 441 L HA -0.209 4.131 4.340 -0.000 0.000 0.413 441 L C 1.552 178.455 176.870 0.055 0.000 1.185 441 L CA 0.022 54.897 54.840 0.059 0.000 0.963 441 L CB -2.281 39.822 42.059 0.073 0.000 1.976 441 L HN 0.535 nan 8.230 nan 0.000 0.939 442 G N -0.380 108.450 108.800 0.051 0.000 2.442 442 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.219 442 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.219 442 G C 1.275 176.202 174.900 0.044 0.000 1.141 442 G CA 1.441 46.568 45.100 0.045 0.000 0.763 442 G HN 0.469 nan 8.290 nan 0.000 0.554 443 T N 1.268 115.847 114.554 0.042 0.000 2.777 443 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 443 T C 2.379 177.102 174.700 0.039 0.000 1.040 443 T CA 0.936 63.057 62.100 0.036 0.000 1.141 443 T CB -0.109 68.776 68.868 0.029 0.000 0.868 443 T HN 0.277 nan 8.240 nan 0.000 0.444 444 I N 1.562 122.157 120.570 0.041 0.000 2.252 444 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 444 I C 3.010 179.157 176.117 0.050 0.000 1.102 444 I CA 1.006 62.332 61.300 0.042 0.000 1.385 444 I CB -0.555 37.472 38.000 0.046 0.000 1.064 444 I HN 0.200 nan 8.210 nan 0.000 0.414 445 A N 0.936 123.790 122.820 0.057 0.000 1.883 445 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 445 A C 2.543 180.164 177.584 0.062 0.000 1.186 445 A CA 2.186 54.260 52.037 0.061 0.000 0.624 445 A CB -0.950 18.087 19.000 0.060 0.000 0.822 445 A HN 0.442 nan 8.150 nan 0.000 0.444 446 A N -0.621 122.236 122.820 0.062 0.000 1.930 446 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 446 A C 2.247 179.869 177.584 0.063 0.000 1.175 446 A CA 1.492 53.572 52.037 0.072 0.000 0.627 446 A CB -0.416 18.626 19.000 0.071 0.000 0.815 446 A HN 0.562 nan 8.150 nan 0.000 0.443 447 R N -0.521 120.010 120.500 0.052 0.000 2.075 447 R HA 0.024 4.364 4.340 -0.000 0.000 0.232 447 R C 2.016 178.345 176.300 0.047 0.000 1.126 447 R CA 1.327 57.455 56.100 0.047 0.000 0.963 447 R CB -0.471 29.851 30.300 0.036 0.000 0.858 447 R HN 0.493 nan 8.270 nan 0.000 0.435 448 L N -0.112 121.139 121.223 0.047 0.000 2.083 448 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 448 L C 2.772 179.671 176.870 0.048 0.000 1.083 448 L CA 0.879 55.746 54.840 0.045 0.000 0.752 448 L CB -0.554 41.533 42.059 0.046 0.000 0.899 448 L HN 0.394 nan 8.230 nan 0.000 0.433 449 C N 0.270 119.601 119.300 0.051 0.000 2.440 449 C HA -0.146 4.314 4.460 -0.000 0.000 0.278 449 C C 3.094 178.121 174.990 0.062 0.000 1.295 449 C CA 0.810 59.858 59.018 0.049 0.000 1.738 449 C CB -0.567 27.201 27.740 0.046 0.000 1.987 449 C HN 0.490 nan 8.230 nan 0.000 0.492 450 R N 1.328 121.868 120.500 0.066 0.000 2.081 450 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 450 R C 2.109 178.455 176.300 0.076 0.000 1.131 450 R CA 2.017 58.162 56.100 0.075 0.000 0.960 450 R CB -0.843 29.499 30.300 0.071 0.000 0.856 450 R HN 0.524 nan 8.270 nan 0.000 0.436 451 E N 0.793 121.030 120.200 0.063 0.000 2.118 451 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 451 E C 1.842 178.485 176.600 0.071 0.000 0.992 451 E CA 1.394 57.829 56.400 0.059 0.000 0.804 451 E CB -0.121 29.607 29.700 0.046 0.000 0.741 451 E HN 0.442 nan 8.360 nan 0.000 0.458 452 K N 0.266 120.709 120.400 0.072 0.000 2.148 452 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 452 K C 2.282 178.971 176.600 0.150 0.000 1.050 452 K CA 0.702 57.037 56.287 0.080 0.000 0.942 452 K CB -0.082 32.444 32.500 0.043 0.000 0.724 452 K HN 0.105 nan 8.250 nan 0.000 0.446 453 I N 1.423 122.092 120.570 0.165 0.000 2.315 453 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 453 I C 1.437 177.667 176.117 0.188 0.000 1.117 453 I CA 1.106 62.555 61.300 0.247 0.000 1.404 453 I CB -0.206 37.905 38.000 0.186 0.000 1.071 453 I HN 0.137 nan 8.210 nan 0.000 0.419 454 D N 0.546 121.018 120.400 0.121 0.000 2.144 454 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 454 D C 2.322 178.671 176.300 0.083 0.000 0.978 454 D CA 0.805 54.852 54.000 0.078 0.000 0.833 454 D CB -0.165 40.671 40.800 0.061 0.000 0.961 454 D HN 0.186 nan 8.370 nan 0.000 0.470 455 R N -0.023 120.544 120.500 0.112 0.000 2.073 455 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 455 R C 2.114 178.521 176.300 0.177 0.000 1.120 455 R CA 0.425 56.591 56.100 0.110 0.000 0.967 455 R CB -1.044 29.314 30.300 0.095 0.000 0.862 455 R HN 0.327 nan 8.270 nan 0.000 0.436 456 W N 2.028 123.327 121.300 -0.001 0.000 2.342 456 W HA -0.096 4.564 4.660 -0.000 0.000 0.297 456 W C 2.069 178.578 176.519 -0.016 0.000 1.213 456 W CA 1.397 58.741 57.345 -0.001 0.000 1.251 456 W CB -0.586 28.881 29.460 0.011 0.000 1.136 456 W HN 0.138 nan 8.180 nan 0.000 0.526 457 A N 0.140 122.955 122.820 -0.008 0.000 1.933 457 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 457 A C 1.871 179.369 177.584 -0.144 0.000 1.175 457 A CA 1.930 53.851 52.037 -0.194 0.000 0.628 457 A CB -0.745 18.167 19.000 -0.148 0.000 0.814 457 A HN 0.454 nan 8.150 nan 0.000 0.444 458 E N -0.383 119.789 120.200 -0.046 0.000 2.106 458 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 458 E C 1.820 178.404 176.600 -0.027 0.000 0.984 458 E CA 1.065 57.440 56.400 -0.042 0.000 0.806 458 E CB -0.227 29.472 29.700 -0.002 0.000 0.750 458 E HN 0.700 nan 8.360 nan 0.000 0.458 459 I N 0.786 121.376 120.570 0.033 0.000 2.252 459 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 459 I C 2.181 178.312 176.117 0.023 0.000 1.102 459 I CA 0.903 62.241 61.300 0.063 0.000 1.385 459 I CB -0.103 37.989 38.000 0.152 0.000 1.064 459 I HN 0.108 nan 8.210 nan 0.000 0.414 460 L N 0.417 121.626 121.223 -0.023 0.000 2.141 460 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 460 L C 2.778 179.544 176.870 -0.173 0.000 1.094 460 L CA 1.096 55.879 54.840 -0.095 0.000 0.763 460 L CB -0.586 41.325 42.059 -0.246 0.000 0.908 460 L HN 0.233 nan 8.230 nan 0.000 0.437 461 A N 0.228 122.918 122.820 -0.217 0.000 1.898 461 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 461 A C 2.192 179.659 177.584 -0.196 0.000 1.181 461 A CA 1.254 53.127 52.037 -0.272 0.000 0.620 461 A CB -0.528 18.314 19.000 -0.263 0.000 0.819 461 A HN 0.330 nan 8.150 nan 0.000 0.442 462 I N -0.726 119.776 120.570 -0.114 0.000 2.226 462 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 462 I C 2.408 178.454 176.117 -0.118 0.000 1.100 462 I CA 1.121 62.376 61.300 -0.075 0.000 1.374 462 I CB -0.235 37.757 38.000 -0.012 0.000 1.057 462 I HN 0.393 nan 8.210 nan 0.000 0.413 463 L N 1.196 122.368 121.223 -0.085 0.000 2.046 463 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 463 L C 2.526 179.341 176.870 -0.091 0.000 1.077 463 L CA 2.075 56.871 54.840 -0.073 0.000 0.747 463 L CB -0.808 41.250 42.059 -0.001 0.000 0.896 463 L HN 0.173 nan 8.230 nan 0.000 0.432 464 A N -0.501 122.265 122.820 -0.090 0.000 1.902 464 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 464 A C 2.258 179.781 177.584 -0.102 0.000 1.181 464 A CA 1.947 53.949 52.037 -0.057 0.000 0.623 464 A CB -0.864 18.068 19.000 -0.114 0.000 0.818 464 A HN 0.503 nan 8.150 nan 0.000 0.443 465 L N -1.017 120.104 121.223 -0.170 0.000 2.093 465 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 465 L C 2.672 179.348 176.870 -0.324 0.000 1.085 465 L CA 1.002 55.758 54.840 -0.140 0.000 0.755 465 L CB -0.624 41.411 42.059 -0.039 0.000 0.904 465 L HN 0.484 nan 8.230 nan 0.000 0.435 466 C N -0.223 118.745 119.300 -0.554 0.000 2.446 466 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 466 C C 2.727 177.515 174.990 -0.335 0.000 1.275 466 C CA 0.416 58.959 59.018 -0.791 0.000 1.727 466 C CB -0.661 26.737 27.740 -0.570 0.000 2.010 466 C HN 0.427 nan 8.230 nan 0.000 0.486 467 L N 0.887 122.008 121.223 -0.170 0.000 2.141 467 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 467 L C 2.821 179.680 176.870 -0.017 0.000 1.094 467 L CA 1.383 56.188 54.840 -0.059 0.000 0.763 467 L CB -0.626 41.432 42.059 -0.002 0.000 0.908 467 L HN 0.342 nan 8.230 nan 0.000 0.437 468 A N -0.338 122.478 122.820 -0.007 0.000 1.902 468 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 468 A C 2.214 179.830 177.584 0.053 0.000 1.181 468 A CA 1.860 53.924 52.037 0.044 0.000 0.623 468 A CB -0.460 18.584 19.000 0.073 0.000 0.818 468 A HN 0.418 nan 8.150 nan 0.000 0.443 469 Q N -0.382 119.450 119.800 0.052 0.000 2.079 469 Q HA 0.033 4.373 4.340 -0.000 0.000 0.200 469 Q C 2.020 178.056 176.000 0.059 0.000 0.974 469 Q CA 1.860 57.727 55.803 0.108 0.000 0.840 469 Q CB -0.456 28.435 28.738 0.255 0.000 0.898 469 Q HN 0.544 nan 8.270 nan 0.000 0.430 470 A N 0.346 123.172 122.820 0.009 0.000 1.930 470 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 470 A C 2.283 179.876 177.584 0.015 0.000 1.175 470 A CA 1.593 53.633 52.037 0.005 0.000 0.627 470 A CB -1.119 17.870 19.000 -0.019 0.000 0.815 470 A HN 0.530 nan 8.150 nan 0.000 0.443 471 A N 0.103 122.936 122.820 0.021 0.000 1.877 471 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 471 A C 1.909 179.510 177.584 0.028 0.000 1.186 471 A CA 1.675 53.728 52.037 0.027 0.000 0.620 471 A CB -0.572 18.449 19.000 0.035 0.000 0.822 471 A HN 0.638 nan 8.150 nan 0.000 0.443 472 E N -0.226 119.995 120.200 0.035 0.000 2.106 472 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 472 E C 1.920 178.534 176.600 0.024 0.000 0.984 472 E CA 0.985 57.405 56.400 0.034 0.000 0.806 472 E CB -0.272 29.455 29.700 0.045 0.000 0.750 472 E HN 0.616 nan 8.360 nan 0.000 0.458 473 L N 0.381 121.617 121.223 0.022 0.000 2.093 473 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 473 L C 2.631 179.504 176.870 0.004 0.000 1.085 473 L CA 0.867 55.712 54.840 0.009 0.000 0.755 473 L CB -0.122 41.939 42.059 0.004 0.000 0.904 473 L HN 0.011 nan 8.230 nan 0.000 0.435 474 R N -0.364 120.141 120.500 0.008 0.000 2.080 474 R HA -0.033 4.307 4.340 -0.000 0.000 0.222 474 R C 1.752 178.057 176.300 0.009 0.000 1.107 474 R CA 1.543 57.647 56.100 0.006 0.000 0.980 474 R CB -0.345 29.960 30.300 0.008 0.000 0.879 474 R HN 0.340 nan 8.270 nan 0.000 0.439 475 C N 0.000 119.309 119.300 0.013 0.000 3.183 475 C HA 0.666 5.126 4.460 -0.000 0.000 0.285 475 C C 0.629 175.628 174.990 0.015 0.000 1.313 475 C CA -0.322 58.704 59.018 0.014 0.000 1.711 475 C CB -0.665 27.086 27.740 0.018 0.000 2.135 475 C HN 0.728 nan 8.230 nan 0.000 0.651 476 G N 1.717 110.526 108.800 0.015 0.000 2.746 476 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.685 476 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.685 476 G C 0.710 175.622 174.900 0.020 0.000 1.350 476 G CA 0.067 45.176 45.100 0.016 0.000 0.837 476 G HN 0.741 nan 8.290 nan 0.000 0.564 477 S N -0.729 114.983 115.700 0.021 0.000 2.400 477 S HA 0.031 4.501 4.470 -0.000 0.000 0.232 477 S C 2.437 177.051 174.600 0.024 0.000 1.025 477 S CA 1.969 60.184 58.200 0.025 0.000 0.993 477 S CB -0.293 62.921 63.200 0.023 0.000 0.808 477 S HN 2.182 nan 8.310 nan 0.000 0.478 478 G N 0.933 109.745 108.800 0.020 0.000 2.848 478 G HA2 0.323 4.283 3.960 -0.000 0.000 0.208 478 G HA3 0.323 4.283 3.960 -0.000 0.000 0.208 478 G C 0.541 175.454 174.900 0.021 0.000 1.152 478 G CA -0.022 45.089 45.100 0.019 0.000 0.789 478 G HN 0.607 nan 8.290 nan 0.000 0.531 479 L N 0.764 122.000 121.223 0.022 0.000 3.660 479 L HA -0.162 4.178 4.340 -0.000 0.000 0.440 479 L C 0.116 176.998 176.870 0.020 0.000 1.262 479 L CA 0.144 54.998 54.840 0.024 0.000 0.837 479 L CB -1.714 40.361 42.059 0.028 0.000 1.689 479 L HN 0.362 nan 8.230 nan 0.000 0.890 480 D N 1.090 121.500 120.400 0.017 0.000 2.450 480 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 480 D C 1.356 177.665 176.300 0.016 0.000 1.162 480 D CA 1.489 55.498 54.000 0.015 0.000 0.879 480 D CB 1.049 41.857 40.800 0.013 0.000 1.163 480 D HN 0.535 nan 8.370 nan 0.000 0.472 481 G N 2.697 111.506 108.800 0.016 0.000 2.225 481 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 481 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 481 G C 0.467 175.379 174.900 0.019 0.000 0.988 481 G CA 0.253 45.363 45.100 0.016 0.000 0.625 481 G HN 0.589 nan 8.290 nan 0.000 0.527 482 V N 2.593 122.520 119.914 0.022 0.000 2.715 482 V HA 0.490 4.610 4.120 -0.000 0.000 0.299 482 V C 1.499 177.608 176.094 0.025 0.000 1.054 482 V CA 0.170 62.486 62.300 0.026 0.000 1.077 482 V CB 1.375 33.215 31.823 0.029 0.000 0.972 482 V HN 1.073 nan 8.190 nan 0.000 0.484 483 S N 4.860 120.578 115.700 0.029 0.000 2.576 483 S HA 0.130 4.600 4.470 -0.000 0.000 0.272 483 S C -1.724 172.889 174.600 0.021 0.000 1.352 483 S CA -0.618 57.598 58.200 0.027 0.000 1.021 483 S CB 0.464 63.685 63.200 0.035 0.000 0.887 483 S HN 0.578 nan 8.310 nan 0.000 0.542 484 P HA -0.025 nan 4.420 nan 0.000 0.216 484 P C 1.586 178.891 177.300 0.008 0.000 1.153 484 P CA 1.876 64.983 63.100 0.012 0.000 0.848 484 P CB -0.228 31.477 31.700 0.008 0.000 0.787 485 A N -0.296 122.526 122.820 0.004 0.000 1.898 485 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 485 A C 2.465 180.048 177.584 -0.003 0.000 1.181 485 A CA 1.949 53.981 52.037 -0.009 0.000 0.620 485 A CB -1.837 17.153 19.000 -0.017 0.000 0.819 485 A HN 0.264 nan 8.150 nan 0.000 0.442 486 G N -0.201 108.607 108.800 0.014 0.000 2.418 486 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 486 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 486 G C 1.681 176.599 174.900 0.031 0.000 1.158 486 G CA 1.100 46.216 45.100 0.026 0.000 0.771 486 G HN 0.566 nan 8.290 nan 0.000 0.545 487 K N 0.222 120.638 120.400 0.027 0.000 2.026 487 K HA -0.059 4.261 4.320 -0.000 0.000 0.208 487 K C 2.445 179.065 176.600 0.032 0.000 1.048 487 K CA 1.324 57.629 56.287 0.030 0.000 0.929 487 K CB -0.156 32.359 32.500 0.024 0.000 0.713 487 K HN 0.237 nan 8.250 nan 0.000 0.439 488 K N 1.384 121.798 120.400 0.023 0.000 2.063 488 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 488 K C 2.163 178.785 176.600 0.037 0.000 1.048 488 K CA 1.048 57.348 56.287 0.023 0.000 0.928 488 K CB -0.101 32.404 32.500 0.007 0.000 0.713 488 K HN 0.108 nan 8.250 nan 0.000 0.442 489 L N 0.529 121.772 121.223 0.032 0.000 2.027 489 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 489 L C 2.060 178.998 176.870 0.113 0.000 1.074 489 L CA 1.143 56.020 54.840 0.063 0.000 0.745 489 L CB -0.169 41.909 42.059 0.031 0.000 0.898 489 L HN 0.014 nan 8.230 nan 0.000 0.433 490 V N 0.069 120.038 119.914 0.091 0.000 2.343 490 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 490 V C 2.493 178.642 176.094 0.093 0.000 1.051 490 V CA 2.072 64.429 62.300 0.096 0.000 1.036 490 V CB -0.721 31.146 31.823 0.073 0.000 0.654 490 V HN 0.563 nan 8.190 nan 0.000 0.451 491 Q N 0.094 119.937 119.800 0.072 0.000 2.050 491 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 491 Q C 2.457 178.498 176.000 0.068 0.000 0.980 491 Q CA 1.820 57.659 55.803 0.060 0.000 0.840 491 Q CB -0.485 28.279 28.738 0.043 0.000 0.898 491 Q HN 0.663 nan 8.270 nan 0.000 0.424 492 A N 1.103 123.971 122.820 0.081 0.000 1.908 492 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 492 A C 2.115 179.767 177.584 0.112 0.000 1.181 492 A CA 1.181 53.271 52.037 0.088 0.000 0.627 492 A CB -0.727 18.342 19.000 0.115 0.000 0.818 492 A HN 0.284 nan 8.150 nan 0.000 0.445 493 L N -1.131 120.193 121.223 0.167 0.000 2.046 493 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 493 L C 2.664 179.672 176.870 0.230 0.000 1.077 493 L CA 1.020 56.008 54.840 0.246 0.000 0.747 493 L CB -0.435 41.758 42.059 0.224 0.000 0.896 493 L HN 0.269 nan 8.230 nan 0.000 0.432 494 R N 0.305 120.891 120.500 0.143 0.000 2.285 494 R HA -0.121 4.219 4.340 -0.000 0.000 0.213 494 R C 1.842 178.163 176.300 0.035 0.000 1.068 494 R CA 0.685 56.846 56.100 0.102 0.000 1.004 494 R CB -0.347 30.000 30.300 0.079 0.000 0.873 494 R HN 0.542 nan 8.270 nan 0.000 0.467 495 E N 0.034 120.242 120.200 0.013 0.000 2.150 495 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 495 E C 1.413 177.937 176.600 -0.127 0.000 0.985 495 E CA 0.807 57.182 56.400 -0.041 0.000 0.814 495 E CB 0.280 29.960 29.700 -0.033 0.000 0.752 495 E HN 0.224 nan 8.360 nan 0.000 0.466 496 Q N -1.220 118.446 119.800 -0.224 0.000 2.322 496 Q HA 0.136 4.476 4.340 -0.000 0.000 0.250 496 Q C -0.386 175.137 176.000 -0.795 0.000 0.853 496 Q CA 0.282 55.754 55.803 -0.551 0.000 0.951 496 Q CB 0.896 29.152 28.738 -0.804 0.000 1.114 496 Q HN 0.109 nan 8.270 nan 0.000 0.523 497 F N 2.121 122.065 119.950 -0.010 0.000 2.434 497 F HA 0.430 4.957 4.527 -0.000 0.000 0.355 497 F C -2.136 173.679 175.800 0.025 0.000 1.115 497 F CA -2.639 55.367 58.000 0.009 0.000 1.010 497 F CB 1.316 40.326 39.000 0.016 0.000 1.234 497 F HN -0.198 nan 8.300 nan 0.000 0.439 498 P HA 0.175 nan 4.420 nan 0.000 0.270 498 P C -2.452 174.920 177.300 0.120 0.000 1.223 498 P CA -0.957 62.198 63.100 0.092 0.000 0.785 498 P CB 0.133 31.862 31.700 0.048 0.000 0.923 499 P HA 0.074 nan 4.420 nan 0.000 0.271 499 P C -0.701 176.648 177.300 0.080 0.000 1.233 499 P CA -0.055 63.107 63.100 0.104 0.000 0.789 499 P CB 0.279 32.024 31.700 0.075 0.000 0.951 500 L N 1.948 123.220 121.223 0.082 0.000 2.353 500 L HA 0.166 4.506 4.340 -0.000 0.000 0.269 500 L C 0.953 177.826 176.870 0.005 0.000 1.085 500 L CA 0.530 55.366 54.840 -0.006 0.000 0.938 500 L CB -0.634 41.334 42.059 -0.151 0.000 1.312 500 L HN 0.309 nan 8.230 nan 0.000 0.429 501 E N 0.919 121.126 120.200 0.011 0.000 2.216 501 E HA 0.014 4.364 4.350 -0.000 0.000 0.192 501 E C 0.224 176.833 176.600 0.015 0.000 0.988 501 E CA 0.539 56.949 56.400 0.016 0.000 0.834 501 E CB 0.344 30.054 29.700 0.017 0.000 0.772 501 E HN 0.561 nan 8.360 nan 0.000 0.479 502 T N 0.225 114.778 114.554 -0.003 0.000 2.889 502 T HA 0.103 4.453 4.350 -0.000 0.000 0.315 502 T C -1.809 172.869 174.700 -0.037 0.000 1.291 502 T CA -0.993 61.105 62.100 -0.002 0.000 1.028 502 T CB 1.347 70.216 68.868 0.002 0.000 1.235 502 T HN -0.220 nan 8.240 nan 0.000 0.491 503 D N 2.880 123.255 120.400 -0.042 0.000 2.571 503 D HA 0.306 4.946 4.640 -0.000 0.000 0.231 503 D C 0.626 176.885 176.300 -0.069 0.000 1.133 503 D CA 0.788 54.742 54.000 -0.077 0.000 0.862 503 D CB 0.330 41.092 40.800 -0.064 0.000 1.179 503 D HN 0.695 nan 8.370 nan 0.000 0.474 504 R N 0.460 120.906 120.500 -0.089 0.000 2.716 504 R HA 0.637 4.977 4.340 -0.000 0.000 0.271 504 R C -3.131 173.132 176.300 -0.061 0.000 1.028 504 R CA -1.682 54.382 56.100 -0.060 0.000 0.883 504 R CB 0.259 30.534 30.300 -0.043 0.000 1.250 504 R HN 0.009 nan 8.270 nan 0.000 0.465 505 P HA 0.167 nan 4.420 nan 0.000 0.271 505 P C -0.338 176.954 177.300 -0.013 0.000 1.220 505 P CA -0.293 62.793 63.100 -0.025 0.000 0.768 505 P CB 0.617 32.310 31.700 -0.012 0.000 0.848 506 L N 1.624 122.840 121.223 -0.011 0.000 2.731 506 L HA 0.186 4.526 4.340 -0.000 0.000 0.240 506 L C 2.280 179.166 176.870 0.027 0.000 1.120 506 L CA 0.363 55.212 54.840 0.014 0.000 0.913 506 L CB -0.255 41.813 42.059 0.015 0.000 1.213 506 L HN 0.527 nan 8.230 nan 0.000 0.515 507 G N 0.017 108.827 108.800 0.017 0.000 2.469 507 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 507 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 507 G C 1.430 176.345 174.900 0.024 0.000 1.150 507 G CA 0.655 45.765 45.100 0.017 0.000 0.763 507 G HN 0.354 nan 8.290 nan 0.000 0.561 508 Q N -0.237 119.583 119.800 0.034 0.000 2.119 508 Q HA -0.049 4.291 4.340 -0.000 0.000 0.201 508 Q C 2.542 178.592 176.000 0.084 0.000 0.972 508 Q CA 1.188 57.020 55.803 0.048 0.000 0.847 508 Q CB -0.052 28.712 28.738 0.044 0.000 0.903 508 Q HN 0.613 nan 8.270 nan 0.000 0.433 509 E N 0.445 120.711 120.200 0.111 0.000 2.072 509 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 509 E C 1.935 178.541 176.600 0.010 0.000 0.985 509 E CA 0.803 57.321 56.400 0.198 0.000 0.801 509 E CB -0.017 29.822 29.700 0.231 0.000 0.750 509 E HN 0.334 nan 8.360 nan 0.000 0.452 510 I N 1.131 121.683 120.570 -0.029 0.000 2.163 510 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 510 I C 2.544 178.622 176.117 -0.065 0.000 1.085 510 I CA 1.098 62.349 61.300 -0.082 0.000 1.347 510 I CB -0.326 37.654 38.000 -0.033 0.000 1.044 510 I HN 0.102 nan 8.210 nan 0.000 0.408 511 A N 0.654 123.466 122.820 -0.012 0.000 1.902 511 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 511 A C 2.545 180.139 177.584 0.016 0.000 1.181 511 A CA 1.843 53.880 52.037 0.000 0.000 0.623 511 A CB -0.864 18.146 19.000 0.016 0.000 0.818 511 A HN 0.437 nan 8.150 nan 0.000 0.443 512 A N -0.543 122.316 122.820 0.064 0.000 1.877 512 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 512 A C 2.138 179.800 177.584 0.130 0.000 1.186 512 A CA 1.796 53.908 52.037 0.126 0.000 0.620 512 A CB -0.640 18.495 19.000 0.226 0.000 0.822 512 A HN 0.663 nan 8.150 nan 0.000 0.443 513 L N -0.220 121.021 121.223 0.031 0.000 2.056 513 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 513 L C 2.686 179.471 176.870 -0.140 0.000 1.078 513 L CA 2.114 56.879 54.840 -0.125 0.000 0.749 513 L CB -0.935 40.788 42.059 -0.561 0.000 0.901 513 L HN 0.355 nan 8.230 nan 0.000 0.433 514 A N -1.554 121.177 122.820 -0.148 0.000 1.908 514 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 514 A C 2.270 179.790 177.584 -0.107 0.000 1.181 514 A CA 2.417 54.359 52.037 -0.159 0.000 0.627 514 A CB -1.266 17.672 19.000 -0.104 0.000 0.818 514 A HN 0.514 nan 8.150 nan 0.000 0.445 515 T N -1.510 113.026 114.554 -0.031 0.000 2.788 515 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 515 T C 1.844 176.547 174.700 0.006 0.000 1.044 515 T CA 1.918 64.020 62.100 0.003 0.000 1.139 515 T CB -0.375 68.516 68.868 0.038 0.000 0.867 515 T HN 0.815 nan 8.240 nan 0.000 0.454 516 H N 1.016 120.040 119.070 -0.077 0.000 2.363 516 H HA 0.141 4.697 4.556 -0.000 0.000 0.301 516 H C 1.998 177.237 175.328 -0.147 0.000 1.074 516 H CA 1.124 57.128 56.048 -0.072 0.000 1.354 516 H CB -0.449 29.297 29.762 -0.027 0.000 1.397 516 H HN 0.236 nan 8.280 nan 0.000 0.516 517 L N -0.009 120.999 121.223 -0.360 0.000 2.127 517 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 517 L C 2.234 178.920 176.870 -0.305 0.000 1.089 517 L CA 1.002 55.480 54.840 -0.603 0.000 0.757 517 L CB -0.494 41.034 42.059 -0.884 0.000 0.899 517 L HN 0.328 nan 8.230 nan 0.000 0.434 518 L N -0.796 120.298 121.223 -0.214 0.000 2.376 518 L HA -0.148 4.192 4.340 -0.000 0.000 0.219 518 L C 2.138 178.966 176.870 -0.069 0.000 1.133 518 L CA 0.940 55.724 54.840 -0.093 0.000 0.816 518 L CB -0.203 41.836 42.059 -0.033 0.000 0.933 518 L HN 0.367 nan 8.230 nan 0.000 0.449 519 Q N -1.416 118.252 119.800 -0.219 0.000 2.280 519 Q HA 0.208 4.548 4.340 -0.000 0.000 0.228 519 Q C -0.166 175.419 176.000 -0.693 0.000 0.857 519 Q CA 0.051 55.694 55.803 -0.266 0.000 0.939 519 Q CB 1.078 29.770 28.738 -0.077 0.000 1.114 519 Q HN 0.443 nan 8.270 nan 0.000 0.514 520 Q N -0.234 119.096 119.800 -0.784 0.000 2.377 520 Q HA 0.469 4.809 4.340 -0.000 0.000 0.279 520 Q C -1.289 174.595 176.000 -0.194 0.000 1.049 520 Q CA -0.448 54.978 55.803 -0.628 0.000 0.825 520 Q CB 2.613 31.105 28.738 -0.410 0.000 1.401 520 Q HN -0.078 nan 8.270 nan 0.000 0.404 521 S N 2.030 117.699 115.700 -0.052 0.000 2.651 521 S HA 0.568 5.038 4.470 -0.000 0.000 0.291 521 S C -2.411 172.017 174.600 -0.287 0.000 1.141 521 S CA -1.179 56.959 58.200 -0.104 0.000 1.027 521 S CB 0.951 64.131 63.200 -0.033 0.000 1.043 521 S HN 0.418 nan 8.310 nan 0.000 0.530 522 P HA 0.264 nan 4.420 nan 0.000 0.277 522 P C -0.662 176.451 177.300 -0.313 0.000 1.354 522 P CA -0.151 62.578 63.100 -0.618 0.000 0.891 522 P CB 0.094 31.108 31.700 -1.142 0.000 1.058 523 V N 0.000 119.824 119.914 -0.150 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.244 62.300 -0.093 0.000 1.235 523 V CB 0.000 31.784 31.823 -0.065 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556