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_G DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.514 32.500 0.023 0.000 1.064 9 P HA 0.170 nan 4.420 nan 0.000 0.268 9 P C -1.479 175.829 177.300 0.014 0.000 1.208 9 P CA -0.368 62.743 63.100 0.018 0.000 0.777 9 P CB 0.872 32.586 31.700 0.022 0.000 0.875 10 A N 1.872 124.699 122.820 0.011 0.000 2.343 10 A HA 0.535 4.855 4.320 -0.000 0.000 0.316 10 A C -0.862 176.724 177.584 0.004 0.000 1.104 10 A CA -0.613 51.428 52.037 0.006 0.000 0.768 10 A CB 1.150 20.153 19.000 0.005 0.000 1.213 10 A HN 0.340 nan 8.150 nan 0.000 0.456 11 V N 2.610 122.524 119.914 -0.001 0.000 2.350 11 V HA 0.253 4.373 4.120 -0.000 0.000 0.276 11 V C 0.339 176.430 176.094 -0.006 0.000 1.028 11 V CA -0.299 61.999 62.300 -0.004 0.000 0.860 11 V CB 1.093 32.909 31.823 -0.012 0.000 0.990 11 V HN 0.963 nan 8.190 nan 0.000 0.453 12 E N 4.518 124.717 120.200 -0.002 0.000 2.130 12 E HA 0.354 4.704 4.350 -0.000 0.000 0.284 12 E C -0.909 175.689 176.600 -0.003 0.000 1.018 12 E CA -0.762 55.637 56.400 -0.002 0.000 0.817 12 E CB 1.219 30.921 29.700 0.003 0.000 1.078 12 E HN 0.555 nan 8.360 nan 0.000 0.396 13 L N 5.424 126.642 121.223 -0.009 0.000 2.265 13 L HA 0.297 4.637 4.340 -0.000 0.000 0.288 13 L C -0.263 176.606 176.870 -0.003 0.000 1.058 13 L CA 0.437 55.270 54.840 -0.011 0.000 0.809 13 L CB 1.240 43.286 42.059 -0.021 0.000 1.179 13 L HN 0.734 nan 8.230 nan 0.000 0.429 14 D N 2.860 123.264 120.400 0.006 0.000 3.013 14 D HA 0.205 4.845 4.640 -0.000 0.000 0.235 14 D C 1.319 177.629 176.300 0.017 0.000 1.540 14 D CA 0.714 54.721 54.000 0.012 0.000 1.303 14 D CB 0.702 41.513 40.800 0.019 0.000 0.980 14 D HN 0.562 nan 8.370 nan 0.000 0.250 15 R N -1.755 118.766 120.500 0.036 0.000 2.194 15 R HA 0.205 4.545 4.340 -0.000 0.000 0.194 15 R C 0.151 176.500 176.300 0.082 0.000 0.985 15 R CA -0.113 56.016 56.100 0.048 0.000 1.104 15 R CB 0.517 30.847 30.300 0.051 0.000 1.092 15 R HN 0.240 nan 8.270 nan 0.000 0.555 16 H N 0.025 119.088 119.070 -0.012 0.000 2.524 16 H HA 0.549 5.105 4.556 -0.000 0.000 0.353 16 H C -1.435 173.886 175.328 -0.011 0.000 1.136 16 H CA -0.673 55.367 56.048 -0.014 0.000 1.193 16 H CB 1.479 31.233 29.762 -0.013 0.000 1.558 16 H HN 0.003 nan 8.280 nan 0.000 0.515 17 I N 4.196 124.423 120.570 -0.571 0.000 2.619 17 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 17 I C -1.231 174.589 176.117 -0.495 0.000 1.100 17 I CA -0.860 60.232 61.300 -0.347 0.000 1.043 17 I CB 1.569 39.458 38.000 -0.185 0.000 1.239 17 I HN 0.846 nan 8.210 nan 0.000 0.420 18 D N 6.055 126.326 120.400 -0.214 0.000 2.388 18 D HA 0.232 4.872 4.640 -0.000 0.000 0.254 18 D C 1.030 177.293 176.300 -0.061 0.000 1.111 18 D CA -0.587 53.350 54.000 -0.104 0.000 0.993 18 D CB 1.003 41.825 40.800 0.036 0.000 1.118 18 D HN 0.504 nan 8.370 nan 0.000 0.502 19 L N -0.360 120.853 121.223 -0.016 0.000 2.042 19 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 19 L C 1.548 178.450 176.870 0.053 0.000 1.076 19 L CA 1.513 56.363 54.840 0.018 0.000 0.749 19 L CB -0.502 41.581 42.059 0.039 0.000 0.893 19 L HN 0.458 nan 8.230 nan 0.000 0.432 20 D N -0.212 120.221 120.400 0.054 0.000 2.117 20 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 20 D C 2.338 178.675 176.300 0.060 0.000 0.987 20 D CA 1.126 55.172 54.000 0.078 0.000 0.829 20 D CB -0.134 40.705 40.800 0.065 0.000 0.961 20 D HN 0.411 nan 8.370 nan 0.000 0.460 21 Q N 0.313 120.129 119.800 0.027 0.000 2.084 21 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 21 Q C 2.224 178.219 176.000 -0.008 0.000 0.978 21 Q CA 1.378 57.185 55.803 0.008 0.000 0.844 21 Q CB -0.112 28.619 28.738 -0.012 0.000 0.898 21 Q HN 0.208 nan 8.270 nan 0.000 0.426 22 A N 0.794 123.604 122.820 -0.016 0.000 1.902 22 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 22 A C 1.946 179.509 177.584 -0.034 0.000 1.181 22 A CA 1.600 53.617 52.037 -0.035 0.000 0.623 22 A CB -0.773 18.204 19.000 -0.038 0.000 0.818 22 A HN 0.447 nan 8.150 nan 0.000 0.443 23 H N -0.089 118.926 119.070 -0.092 0.000 2.428 23 H HA 0.068 4.624 4.556 -0.000 0.000 0.296 23 H C 2.232 177.474 175.328 -0.144 0.000 1.062 23 H CA 1.348 57.303 56.048 -0.155 0.000 1.350 23 H CB -0.139 29.441 29.762 -0.303 0.000 1.403 23 H HN 0.408 nan 8.280 nan 0.000 0.533 24 A N 0.546 123.363 122.820 -0.004 0.000 1.877 24 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 24 A C 2.831 180.377 177.584 -0.064 0.000 1.186 24 A CA 1.732 53.767 52.037 -0.003 0.000 0.620 24 A CB -0.917 18.101 19.000 0.029 0.000 0.822 24 A HN 0.284 nan 8.150 nan 0.000 0.443 25 V N -0.238 119.628 119.914 -0.079 0.000 2.307 25 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 25 V C 3.073 179.071 176.094 -0.161 0.000 1.045 25 V CA 1.866 64.111 62.300 -0.091 0.000 1.024 25 V CB -1.274 30.500 31.823 -0.082 0.000 0.651 25 V HN 0.616 nan 8.190 nan 0.000 0.449 26 A N 0.814 123.498 122.820 -0.226 0.000 1.908 26 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 26 A C 2.403 179.758 177.584 -0.381 0.000 1.181 26 A CA 2.385 54.230 52.037 -0.320 0.000 0.627 26 A CB -0.706 18.106 19.000 -0.314 0.000 0.818 26 A HN 0.705 nan 8.150 nan 0.000 0.445 27 S N -2.116 113.387 115.700 -0.329 0.000 2.603 27 S HA 0.375 4.845 4.470 -0.000 0.000 0.220 27 S C 1.401 176.134 174.600 0.222 0.000 0.967 27 S CA 1.047 59.211 58.200 -0.060 0.000 0.920 27 S CB -0.253 62.831 63.200 -0.194 0.000 0.773 27 S HN 1.965 nan 8.310 nan 0.000 0.529 28 G N 0.374 109.225 108.800 0.086 0.000 2.159 28 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.256 28 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.256 28 G C 0.859 175.827 174.900 0.113 0.000 0.977 28 G CA 0.117 45.326 45.100 0.182 0.000 0.652 28 G HN 0.965 nan 8.290 nan 0.000 0.531 29 G N -0.370 108.473 108.800 0.071 0.000 2.572 29 G HA2 0.550 4.510 3.960 -0.000 0.000 0.216 29 G HA3 0.550 4.510 3.960 -0.000 0.000 0.216 29 G C 0.663 175.589 174.900 0.043 0.000 1.133 29 G CA 1.773 46.911 45.100 0.063 0.000 0.791 29 G HN 1.827 nan 8.290 nan 0.000 0.538 30 A N -0.454 122.381 122.820 0.026 0.000 2.539 30 A HA 0.793 5.113 4.320 -0.000 0.000 0.296 30 A C -0.284 177.303 177.584 0.005 0.000 1.073 30 A CA -0.837 51.209 52.037 0.016 0.000 0.700 30 A CB 1.528 20.534 19.000 0.010 0.000 1.296 30 A HN 0.201 nan 8.150 nan 0.000 0.405 31 R N 0.044 120.548 120.500 0.006 0.000 2.543 31 R HA 0.642 4.981 4.340 -0.000 0.000 0.268 31 R C -0.787 175.508 176.300 -0.009 0.000 1.067 31 R CA -0.389 55.711 56.100 0.000 0.000 1.142 31 R CB 1.330 31.632 30.300 0.005 0.000 1.110 31 R HN 0.681 nan 8.270 nan 0.000 0.549 32 I N 1.046 121.607 120.570 -0.015 0.000 2.509 32 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 32 I C -1.308 174.801 176.117 -0.015 0.000 1.020 32 I CA -0.878 60.410 61.300 -0.019 0.000 1.088 32 I CB 1.799 39.781 38.000 -0.031 0.000 1.267 32 I HN 0.200 nan 8.210 nan 0.000 0.430 33 V N 7.403 127.310 119.914 -0.012 0.000 2.709 33 V HA 0.383 4.503 4.120 -0.000 0.000 0.308 33 V C -0.627 175.460 176.094 -0.011 0.000 1.062 33 V CA -0.758 61.536 62.300 -0.010 0.000 0.901 33 V CB 1.868 33.688 31.823 -0.006 0.000 1.003 33 V HN 0.524 nan 8.190 nan 0.000 0.425 34 L N 4.199 125.415 121.223 -0.011 0.000 2.281 34 L HA 0.718 5.057 4.340 -0.000 0.000 0.285 34 L C 0.747 177.613 176.870 -0.007 0.000 1.074 34 L CA 0.313 55.146 54.840 -0.011 0.000 0.817 34 L CB 0.829 42.880 42.059 -0.013 0.000 1.168 34 L HN 0.867 nan 8.230 nan 0.000 0.434 35 A N 6.945 129.762 122.820 -0.004 0.000 2.483 35 A HA 0.331 4.651 4.320 -0.000 0.000 0.238 35 A C -1.550 176.032 177.584 -0.002 0.000 1.070 35 A CA -0.697 51.340 52.037 -0.001 0.000 0.770 35 A CB -0.405 18.596 19.000 0.002 0.000 1.008 35 A HN 0.789 nan 8.150 nan 0.000 0.497 36 P HA -0.190 nan 4.420 nan 0.000 0.215 36 P C -1.284 176.014 177.300 -0.002 0.000 1.163 36 P CA 2.207 65.306 63.100 -0.003 0.000 0.894 36 P CB -0.763 30.936 31.700 -0.001 0.000 0.791 37 P HA -0.146 nan 4.420 nan 0.000 0.218 37 P C 1.267 178.567 177.300 -0.000 0.000 1.149 37 P CA 1.921 65.021 63.100 0.000 0.000 0.817 37 P CB -0.433 31.269 31.700 0.003 0.000 0.785 38 A N 0.651 123.471 122.820 -0.001 0.000 1.897 38 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 38 A C 2.560 180.141 177.584 -0.006 0.000 1.181 38 A CA 1.257 53.293 52.037 -0.002 0.000 0.620 38 A CB -1.245 17.754 19.000 -0.003 0.000 0.821 38 A HN 0.043 nan 8.150 nan 0.000 0.443 39 R N -0.195 120.300 120.500 -0.008 0.000 2.091 39 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 39 R C 1.260 177.552 176.300 -0.014 0.000 1.136 39 R CA 1.991 58.083 56.100 -0.013 0.000 0.959 39 R CB -0.386 29.907 30.300 -0.012 0.000 0.856 39 R HN 0.446 nan 8.270 nan 0.000 0.437 40 D N 0.068 120.462 120.400 -0.009 0.000 2.117 40 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 40 D C 2.077 178.373 176.300 -0.008 0.000 0.982 40 D CA 0.999 54.994 54.000 -0.009 0.000 0.828 40 D CB -0.204 40.593 40.800 -0.006 0.000 0.967 40 D HN 0.273 nan 8.370 nan 0.000 0.464 41 R N 0.120 120.618 120.500 -0.004 0.000 2.091 41 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 41 R C 2.488 178.786 176.300 -0.003 0.000 1.136 41 R CA 1.045 57.145 56.100 -0.000 0.000 0.959 41 R CB -0.509 29.793 30.300 0.004 0.000 0.856 41 R HN 0.233 nan 8.270 nan 0.000 0.437 42 C N -0.155 119.140 119.300 -0.009 0.000 2.440 42 C HA -0.022 4.438 4.460 -0.000 0.000 0.278 42 C C 2.583 177.555 174.990 -0.031 0.000 1.295 42 C CA 0.456 59.464 59.018 -0.016 0.000 1.738 42 C CB -0.788 26.940 27.740 -0.020 0.000 1.987 42 C HN 0.461 nan 8.230 nan 0.000 0.492 43 R N 1.104 121.585 120.500 -0.031 0.000 2.081 43 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 43 R C 2.395 178.673 176.300 -0.037 0.000 1.131 43 R CA 1.637 57.713 56.100 -0.039 0.000 0.960 43 R CB -0.475 29.807 30.300 -0.030 0.000 0.856 43 R HN 0.551 nan 8.270 nan 0.000 0.436 44 A N 0.183 122.989 122.820 -0.024 0.000 1.902 44 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 44 A C 2.187 179.754 177.584 -0.029 0.000 1.181 44 A CA 1.865 53.891 52.037 -0.020 0.000 0.623 44 A CB -0.625 18.372 19.000 -0.007 0.000 0.818 44 A HN 0.305 nan 8.150 nan 0.000 0.443 45 S N -0.834 114.851 115.700 -0.025 0.000 2.368 45 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 45 S C 2.035 176.571 174.600 -0.106 0.000 1.030 45 S CA 1.596 59.776 58.200 -0.033 0.000 0.999 45 S CB -0.341 62.865 63.200 0.010 0.000 0.844 45 S HN 0.680 nan 8.310 nan 0.000 0.459 46 E N 0.369 120.512 120.200 -0.094 0.000 2.085 46 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 46 E C 2.070 178.599 176.600 -0.118 0.000 0.994 46 E CA 1.150 57.478 56.400 -0.121 0.000 0.801 46 E CB -0.370 29.262 29.700 -0.113 0.000 0.743 46 E HN 0.598 nan 8.360 nan 0.000 0.453 47 A N 1.259 124.028 122.820 -0.084 0.000 1.930 47 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 47 A C 2.144 179.676 177.584 -0.086 0.000 1.175 47 A CA 1.291 53.290 52.037 -0.064 0.000 0.627 47 A CB -0.407 18.570 19.000 -0.039 0.000 0.815 47 A HN 0.187 nan 8.150 nan 0.000 0.443 48 R N -1.084 119.351 120.500 -0.108 0.000 2.096 48 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 48 R C 2.087 178.239 176.300 -0.247 0.000 1.127 48 R CA 1.394 57.422 56.100 -0.120 0.000 0.968 48 R CB -0.632 29.625 30.300 -0.072 0.000 0.861 48 R HN 0.498 nan 8.270 nan 0.000 0.440 49 L N 0.728 121.697 121.223 -0.425 0.000 2.083 49 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 49 L C 2.097 178.823 176.870 -0.239 0.000 1.083 49 L CA 2.088 56.585 54.840 -0.572 0.000 0.752 49 L CB -0.942 40.782 42.059 -0.557 0.000 0.899 49 L HN 0.159 nan 8.230 nan 0.000 0.433 50 G N -1.064 107.650 108.800 -0.142 0.000 2.418 50 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 50 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 50 G C 1.597 176.471 174.900 -0.045 0.000 1.158 50 G CA 0.762 45.825 45.100 -0.061 0.000 0.771 50 G HN 0.640 nan 8.290 nan 0.000 0.545 51 A N 0.072 122.862 122.820 -0.049 0.000 1.933 51 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 51 A C 2.585 180.169 177.584 -0.001 0.000 1.175 51 A CA 1.693 53.718 52.037 -0.019 0.000 0.628 51 A CB -0.573 18.420 19.000 -0.012 0.000 0.814 51 A HN 0.245 nan 8.150 nan 0.000 0.444 52 V N 0.200 120.107 119.914 -0.012 0.000 2.343 52 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 52 V C 2.411 178.534 176.094 0.048 0.000 1.051 52 V CA 2.072 64.400 62.300 0.047 0.000 1.036 52 V CB -0.576 31.298 31.823 0.086 0.000 0.654 52 V HN 0.582 nan 8.190 nan 0.000 0.451 53 I N -0.617 119.962 120.570 0.016 0.000 2.202 53 I HA -0.224 3.945 4.170 -0.000 0.000 0.242 53 I C 2.725 178.852 176.117 0.017 0.000 1.091 53 I CA 1.570 62.883 61.300 0.022 0.000 1.368 53 I CB -0.457 37.546 38.000 0.006 0.000 1.058 53 I HN 0.188 nan 8.210 nan 0.000 0.410 54 R N 1.191 121.696 120.500 0.008 0.000 2.091 54 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 54 R C 1.817 178.125 176.300 0.014 0.000 1.136 54 R CA 1.761 57.865 56.100 0.007 0.000 0.959 54 R CB -0.058 30.244 30.300 0.003 0.000 0.856 54 R HN 0.410 nan 8.270 nan 0.000 0.437 55 E N -0.804 119.410 120.200 0.023 0.000 2.481 55 E HA 0.079 4.429 4.350 -0.000 0.000 0.195 55 E C 0.324 176.946 176.600 0.037 0.000 1.047 55 E CA 0.421 56.839 56.400 0.030 0.000 0.867 55 E CB 0.468 30.191 29.700 0.038 0.000 0.858 55 E HN 0.453 nan 8.360 nan 0.000 0.513 56 A N 1.866 124.709 122.820 0.039 0.000 2.822 56 A HA -0.225 4.095 4.320 -0.000 0.000 0.287 56 A C 0.035 177.658 177.584 0.066 0.000 1.479 56 A CA 0.528 52.590 52.037 0.042 0.000 0.779 56 A CB -1.395 17.618 19.000 0.021 0.000 1.022 56 A HN 0.124 nan 8.150 nan 0.000 0.532 57 R N 0.111 120.668 120.500 0.095 0.000 2.643 57 R HA 0.113 4.453 4.340 -0.000 0.000 0.270 57 R C 0.512 176.926 176.300 0.190 0.000 1.061 57 R CA -0.089 56.092 56.100 0.134 0.000 1.107 57 R CB 0.082 30.472 30.300 0.150 0.000 0.999 57 R HN 0.712 nan 8.270 nan 0.000 0.460 58 H N 1.755 120.866 119.070 0.068 0.000 3.160 58 H HA 0.202 4.758 4.556 0.000 0.000 0.257 58 H C -0.883 174.512 175.328 0.112 0.000 1.140 58 H CA -0.376 55.703 56.048 0.052 0.000 1.492 58 H CB 0.195 29.961 29.762 0.007 0.000 1.529 58 H HN 0.047 nan 8.280 nan 0.000 0.490 59 V N 6.441 126.551 119.914 0.326 0.000 2.638 59 V HA -0.003 4.117 4.120 -0.000 0.000 0.306 59 V C -0.698 175.612 176.094 0.360 0.000 1.052 59 V CA -1.000 61.520 62.300 0.367 0.000 0.885 59 V CB 1.259 33.289 31.823 0.345 0.000 0.999 59 V HN 0.654 nan 8.190 nan 0.000 0.424 60 Y N 3.903 124.436 120.300 0.389 0.000 2.805 60 Y HA 0.327 4.877 4.550 -0.000 0.000 0.331 60 Y C 1.386 177.382 175.900 0.161 0.000 1.241 60 Y CA 1.887 60.117 58.100 0.217 0.000 1.546 60 Y CB 0.425 39.065 38.460 0.299 0.000 1.248 60 Y HN 1.063 nan 8.280 nan 0.000 0.559 61 G N 4.065 112.586 108.800 -0.465 0.000 2.234 61 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 61 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 61 G C 0.616 175.494 174.900 -0.037 0.000 0.987 61 G CA 0.581 45.533 45.100 -0.247 0.000 0.625 61 G HN 0.674 nan 8.290 nan 0.000 0.532 62 L N -0.110 121.121 121.223 0.014 0.000 2.609 62 L HA 0.303 4.643 4.340 -0.000 0.000 0.230 62 L C 2.120 179.001 176.870 0.018 0.000 1.064 62 L CA 1.493 56.368 54.840 0.059 0.000 0.873 62 L CB 0.589 42.731 42.059 0.138 0.000 1.139 62 L HN 0.462 nan 8.230 nan 0.000 0.490 63 T N -4.163 110.397 114.554 0.010 0.000 3.328 63 T HA 0.170 4.520 4.350 -0.000 0.000 0.305 63 T C 0.271 174.941 174.700 -0.050 0.000 0.939 63 T CA 0.176 62.273 62.100 -0.005 0.000 0.950 63 T CB 0.084 68.982 68.868 0.050 0.000 1.182 63 T HN 0.156 nan 8.240 nan 0.000 0.545 64 T N -1.794 112.675 114.554 -0.142 0.000 2.864 64 T HA 0.781 5.131 4.350 -0.000 0.000 0.299 64 T C 0.654 175.053 174.700 -0.502 0.000 1.166 64 T CA -0.242 61.737 62.100 -0.201 0.000 1.007 64 T CB 1.433 70.272 68.868 -0.048 0.000 1.219 64 T HN 0.293 nan 8.240 nan 0.000 0.506 65 G N -0.049 108.503 108.800 -0.414 0.000 2.486 65 G HA2 0.554 4.514 3.960 -0.000 0.000 0.272 65 G HA3 0.554 4.514 3.960 -0.000 0.000 0.272 65 G C -1.069 173.329 174.900 -0.836 0.000 1.426 65 G CA -0.715 44.049 45.100 -0.560 0.000 1.058 65 G HN 0.564 nan 8.290 nan 0.000 0.531 66 F N -1.204 118.697 119.950 -0.082 0.000 2.556 66 F HA 0.620 5.147 4.527 0.000 0.000 0.327 66 F C 1.079 176.970 175.800 0.153 0.000 1.059 66 F CA 0.274 58.273 58.000 -0.001 0.000 0.953 66 F CB 1.456 40.478 39.000 0.036 0.000 1.227 66 F HN 1.042 nan 8.300 nan 0.000 0.478 67 G N 1.853 110.960 108.800 0.511 0.000 2.582 67 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.288 67 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.288 67 G C -1.921 173.096 174.900 0.195 0.000 1.247 67 G CA -0.096 45.169 45.100 0.274 0.000 0.972 67 G HN 0.513 nan 8.290 nan 0.000 0.557 68 P HA 0.081 nan 4.420 nan 0.000 0.225 68 P C 1.810 179.150 177.300 0.066 0.000 1.148 68 P CA 0.926 64.073 63.100 0.078 0.000 0.779 68 P CB -0.082 31.649 31.700 0.053 0.000 0.780 69 L N -1.597 119.666 121.223 0.066 0.000 2.610 69 L HA 0.100 4.439 4.340 -0.000 0.000 0.232 69 L C 2.060 178.933 176.870 0.005 0.000 1.149 69 L CA 0.200 55.055 54.840 0.024 0.000 0.872 69 L CB -0.761 41.301 42.059 0.005 0.000 0.992 69 L HN -0.030 nan 8.230 nan 0.000 0.447 70 A N 1.386 124.243 122.820 0.062 0.000 2.121 70 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 70 A C 2.000 179.617 177.584 0.056 0.000 1.154 70 A CA 1.429 53.505 52.037 0.066 0.000 0.679 70 A CB -0.526 18.616 19.000 0.236 0.000 0.795 70 A HN 0.656 nan 8.150 nan 0.000 0.458 71 N N -0.399 118.327 118.700 0.043 0.000 2.550 71 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 71 N C 0.028 175.536 175.510 -0.003 0.000 1.110 71 N CA 0.327 53.396 53.050 0.032 0.000 0.912 71 N CB -0.218 38.285 38.487 0.026 0.000 0.968 71 N HN 0.218 nan 8.380 nan 0.000 0.448 72 R N 0.964 121.449 120.500 -0.024 0.000 2.204 72 R HA 0.395 4.735 4.340 -0.000 0.000 0.341 72 R C -0.270 175.986 176.300 -0.073 0.000 1.035 72 R CA -0.306 55.766 56.100 -0.048 0.000 0.887 72 R CB 0.856 31.125 30.300 -0.052 0.000 1.114 72 R HN 0.141 nan 8.270 nan 0.000 0.473 73 L N 4.236 125.411 121.223 -0.080 0.000 2.380 73 L HA 0.339 4.679 4.340 -0.000 0.000 0.273 73 L C 0.094 176.910 176.870 -0.091 0.000 1.138 73 L CA -0.327 54.450 54.840 -0.105 0.000 0.832 73 L CB 0.562 42.533 42.059 -0.148 0.000 1.124 73 L HN 0.364 nan 8.230 nan 0.000 0.454 74 I N 1.789 122.303 120.570 -0.093 0.000 2.441 74 I HA 0.207 4.377 4.170 -0.000 0.000 0.295 74 I C 0.396 176.480 176.117 -0.056 0.000 0.994 74 I CA -0.189 61.065 61.300 -0.077 0.000 1.144 74 I CB 1.637 39.578 38.000 -0.098 0.000 1.314 74 I HN 0.525 nan 8.210 nan 0.000 0.445 75 S N 3.291 118.965 115.700 -0.043 0.000 2.565 75 S HA 0.327 4.797 4.470 -0.000 0.000 0.276 75 S C 1.483 176.069 174.600 -0.024 0.000 1.326 75 S CA 0.085 58.266 58.200 -0.032 0.000 1.045 75 S CB 1.201 64.385 63.200 -0.027 0.000 0.918 75 S HN 0.884 nan 8.310 nan 0.000 0.505 76 G N 2.830 111.620 108.800 -0.016 0.000 2.485 76 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.221 76 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.221 76 G C 1.170 176.064 174.900 -0.011 0.000 1.115 76 G CA 1.192 46.286 45.100 -0.010 0.000 0.751 76 G HN 0.950 nan 8.290 nan 0.000 0.567 77 E N 0.129 120.322 120.200 -0.012 0.000 2.268 77 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 77 E C 1.224 177.818 176.600 -0.009 0.000 0.995 77 E CA 0.933 57.326 56.400 -0.011 0.000 0.836 77 E CB -0.152 29.542 29.700 -0.011 0.000 0.763 77 E HN 0.349 nan 8.360 nan 0.000 0.491 78 N N 0.585 119.278 118.700 -0.011 0.000 2.203 78 N HA 0.062 4.802 4.740 -0.000 0.000 0.207 78 N C 1.291 176.799 175.510 -0.003 0.000 1.130 78 N CA 0.121 53.166 53.050 -0.007 0.000 0.861 78 N CB 1.191 39.672 38.487 -0.011 0.000 1.005 78 N HN 0.051 nan 8.380 nan 0.000 0.507 79 V N 1.182 121.094 119.914 -0.004 0.000 2.407 79 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 79 V C 2.417 178.521 176.094 0.018 0.000 1.055 79 V CA 1.359 63.663 62.300 0.006 0.000 1.049 79 V CB -0.219 31.609 31.823 0.008 0.000 0.662 79 V HN 0.236 nan 8.190 nan 0.000 0.455 80 R N 0.202 120.706 120.500 0.007 0.000 2.083 80 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 80 R C 2.354 178.658 176.300 0.006 0.000 1.137 80 R CA 2.018 58.120 56.100 0.003 0.000 0.951 80 R CB -1.360 28.937 30.300 -0.005 0.000 0.851 80 R HN 0.510 nan 8.270 nan 0.000 0.434 81 T N 2.256 116.818 114.554 0.013 0.000 2.777 81 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 81 T C 1.882 176.606 174.700 0.041 0.000 1.040 81 T CA 0.939 63.052 62.100 0.023 0.000 1.141 81 T CB -0.273 68.611 68.868 0.027 0.000 0.868 81 T HN 0.074 nan 8.240 nan 0.000 0.444 82 L N 1.463 122.718 121.223 0.053 0.000 1.971 82 L HA -0.169 4.171 4.340 -0.000 0.000 0.215 82 L C 2.425 179.411 176.870 0.193 0.000 1.072 82 L CA 1.875 56.782 54.840 0.112 0.000 0.758 82 L CB -0.674 41.416 42.059 0.051 0.000 0.889 82 L HN 0.256 nan 8.230 nan 0.000 0.433 83 Q N -0.890 118.985 119.800 0.125 0.000 2.230 83 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 83 Q C 2.196 178.157 176.000 -0.064 0.000 0.963 83 Q CA 1.171 57.018 55.803 0.074 0.000 0.866 83 Q CB -0.304 28.468 28.738 0.056 0.000 0.931 83 Q HN 0.706 nan 8.270 nan 0.000 0.452 84 A N 1.689 124.454 122.820 -0.092 0.000 1.930 84 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 84 A C 1.730 179.046 177.584 -0.447 0.000 1.175 84 A CA 1.323 53.202 52.037 -0.263 0.000 0.627 84 A CB -0.258 18.633 19.000 -0.181 0.000 0.815 84 A HN 0.249 nan 8.150 nan 0.000 0.443 85 N N -0.336 118.280 118.700 -0.140 0.000 2.409 85 N HA -0.063 4.677 4.740 -0.000 0.000 0.179 85 N C 1.509 177.055 175.510 0.061 0.000 1.032 85 N CA 1.021 54.087 53.050 0.026 0.000 0.898 85 N CB -0.412 38.172 38.487 0.161 0.000 0.971 85 N HN 0.453 nan 8.380 nan 0.000 0.441 86 L N 0.804 122.004 121.223 -0.038 0.000 1.994 86 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 86 L C 1.864 178.464 176.870 -0.451 0.000 1.071 86 L CA 1.468 56.133 54.840 -0.291 0.000 0.745 86 L CB -0.690 41.006 42.059 -0.606 0.000 0.892 86 L HN -0.115 nan 8.230 nan 0.000 0.431 87 V N -0.243 119.462 119.914 -0.348 0.000 2.407 87 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 87 V C 2.386 178.343 176.094 -0.229 0.000 1.055 87 V CA 2.247 64.356 62.300 -0.318 0.000 1.049 87 V CB -1.073 30.585 31.823 -0.274 0.000 0.662 87 V HN 0.630 nan 8.190 nan 0.000 0.455 88 H N -0.409 118.567 119.070 -0.158 0.000 2.293 88 H HA -0.178 4.378 4.556 -0.000 0.000 0.300 88 H C 2.392 177.664 175.328 -0.092 0.000 1.082 88 H CA 1.680 57.666 56.048 -0.103 0.000 1.308 88 H CB -0.235 29.513 29.762 -0.023 0.000 1.375 88 H HN 0.662 nan 8.280 nan 0.000 0.495 89 H N 0.710 119.810 119.070 0.050 0.000 2.457 89 H HA -0.063 4.493 4.556 0.000 0.000 0.294 89 H C 1.872 177.172 175.328 -0.047 0.000 1.064 89 H CA 0.953 57.001 56.048 -0.000 0.000 1.330 89 H CB -0.287 29.479 29.762 0.006 0.000 1.395 89 H HN 0.328 nan 8.280 nan 0.000 0.541 90 L N 1.001 121.899 121.223 -0.543 0.000 2.395 90 L HA 0.113 4.453 4.340 -0.000 0.000 0.218 90 L C 1.939 178.653 176.870 -0.259 0.000 1.130 90 L CA 0.374 54.969 54.840 -0.408 0.000 0.826 90 L CB -0.092 41.660 42.059 -0.511 0.000 0.941 90 L HN 0.277 nan 8.230 nan 0.000 0.451 91 A N 0.002 122.641 122.820 -0.301 0.000 3.029 91 A HA 0.142 4.462 4.320 -0.000 0.000 0.251 91 A C 1.298 178.802 177.584 -0.132 0.000 1.749 91 A CA 0.298 52.023 52.037 -0.519 0.000 1.386 91 A CB -0.638 18.038 19.000 -0.539 0.000 1.043 91 A HN 0.368 nan 8.150 nan 0.000 0.638 92 S N -0.723 115.000 115.700 0.039 0.000 2.568 92 S HA 0.352 4.822 4.470 -0.000 0.000 0.232 92 S C 0.934 175.636 174.600 0.171 0.000 0.975 92 S CA 0.086 58.352 58.200 0.109 0.000 0.949 92 S CB 0.059 63.296 63.200 0.062 0.000 0.829 92 S HN 0.749 nan 8.310 nan 0.000 0.479 93 G N 1.604 110.621 108.800 0.361 0.000 2.544 93 G HA2 0.485 4.445 3.960 -0.000 0.000 0.242 93 G HA3 0.485 4.445 3.960 -0.000 0.000 0.242 93 G C -0.095 174.797 174.900 -0.014 0.000 1.247 93 G CA 0.160 45.331 45.100 0.118 0.000 0.840 93 G HN 0.991 nan 8.290 nan 0.000 0.578 94 V N -0.925 118.965 119.914 -0.041 0.000 3.165 94 V HA 1.032 5.152 4.120 -0.000 0.000 0.309 94 V C 0.623 176.685 176.094 -0.053 0.000 1.267 94 V CA -0.050 62.223 62.300 -0.045 0.000 1.067 94 V CB 1.077 32.893 31.823 -0.012 0.000 1.082 94 V HN 2.578 nan 8.190 nan 0.000 0.451 95 G N 0.363 109.138 108.800 -0.041 0.000 2.712 95 G HA2 0.044 4.004 3.960 -0.000 0.000 0.683 95 G HA3 0.044 4.004 3.960 -0.000 0.000 0.683 95 G C -2.694 172.183 174.900 -0.040 0.000 1.320 95 G CA -0.294 44.787 45.100 -0.032 0.000 0.847 95 G HN 1.142 nan 8.290 nan 0.000 0.553 96 P HA 0.399 nan 4.420 nan 0.000 0.267 96 P C 0.860 178.142 177.300 -0.031 0.000 1.200 96 P CA 0.454 63.542 63.100 -0.020 0.000 0.772 96 P CB 0.777 32.475 31.700 -0.004 0.000 0.855 97 V N 1.511 121.407 119.914 -0.030 0.000 3.051 97 V HA 0.150 4.270 4.120 -0.000 0.000 0.306 97 V C 0.683 176.770 176.094 -0.011 0.000 1.083 97 V CA -0.648 61.629 62.300 -0.038 0.000 1.104 97 V CB -0.499 31.305 31.823 -0.032 0.000 1.027 97 V HN 0.299 nan 8.190 nan 0.000 0.483 98 L N 2.621 123.834 121.223 -0.017 0.000 2.461 98 L HA 0.259 4.599 4.340 -0.000 0.000 0.272 98 L C 0.611 177.502 176.870 0.034 0.000 1.197 98 L CA -0.239 54.603 54.840 0.004 0.000 0.836 98 L CB 0.202 42.254 42.059 -0.012 0.000 1.105 98 L HN 1.022 nan 8.230 nan 0.000 0.477 99 D N -0.102 120.334 120.400 0.061 0.000 2.361 99 D HA -0.106 4.534 4.640 -0.000 0.000 0.239 99 D C 0.703 177.095 176.300 0.153 0.000 1.200 99 D CA -0.455 53.614 54.000 0.114 0.000 0.915 99 D CB 0.505 41.378 40.800 0.122 0.000 1.170 99 D HN 0.548 nan 8.370 nan 0.000 0.444 100 W N 1.197 122.501 121.300 0.007 0.000 2.290 100 W HA -0.318 4.342 4.660 -0.000 0.000 0.328 100 W C 2.161 178.674 176.519 -0.009 0.000 1.272 100 W CA 2.922 60.271 57.345 0.006 0.000 1.262 100 W CB -0.835 28.631 29.460 0.010 0.000 1.151 100 W HN 0.451 nan 8.180 nan 0.000 0.473 101 T N -0.341 114.338 114.554 0.208 0.000 2.708 101 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 101 T C 1.577 176.202 174.700 -0.125 0.000 1.037 101 T CA 2.430 64.505 62.100 -0.042 0.000 1.146 101 T CB -1.001 67.929 68.868 0.103 0.000 0.865 101 T HN 0.183 nan 8.240 nan 0.000 0.435 102 T N 2.022 116.563 114.554 -0.022 0.000 2.746 102 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 102 T C 2.404 177.061 174.700 -0.072 0.000 1.039 102 T CA 1.172 63.257 62.100 -0.025 0.000 1.142 102 T CB -0.555 68.327 68.868 0.023 0.000 0.866 102 T HN 0.435 nan 8.240 nan 0.000 0.444 103 A N 1.634 124.401 122.820 -0.089 0.000 1.933 103 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 103 A C 2.372 179.855 177.584 -0.168 0.000 1.175 103 A CA 1.365 53.335 52.037 -0.111 0.000 0.628 103 A CB -0.454 18.486 19.000 -0.100 0.000 0.814 103 A HN 0.404 nan 8.150 nan 0.000 0.444 104 R N -0.591 119.743 120.500 -0.277 0.000 2.115 104 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 104 R C 2.391 178.560 176.300 -0.220 0.000 1.111 104 R CA 1.025 56.933 56.100 -0.319 0.000 0.976 104 R CB -0.381 29.581 30.300 -0.564 0.000 0.870 104 R HN 0.507 nan 8.270 nan 0.000 0.445 105 A N 1.062 123.771 122.820 -0.184 0.000 1.969 105 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 105 A C 2.102 179.632 177.584 -0.090 0.000 1.169 105 A CA 1.203 53.165 52.037 -0.125 0.000 0.635 105 A CB -0.416 18.533 19.000 -0.084 0.000 0.810 105 A HN 0.318 nan 8.150 nan 0.000 0.445 106 M N -0.262 119.288 119.600 -0.084 0.000 2.086 106 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 106 M C 1.913 178.174 176.300 -0.066 0.000 1.067 106 M CA 2.072 57.335 55.300 -0.062 0.000 1.116 106 M CB -0.260 32.307 32.600 -0.056 0.000 1.348 106 M HN 0.189 nan 8.290 nan 0.000 0.407 107 V N 1.116 120.979 119.914 -0.084 0.000 2.332 107 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 107 V C 2.437 178.489 176.094 -0.069 0.000 1.055 107 V CA 1.854 64.109 62.300 -0.074 0.000 1.038 107 V CB -1.009 30.762 31.823 -0.087 0.000 0.651 107 V HN 0.593 nan 8.190 nan 0.000 0.450 108 L N 0.961 122.132 121.223 -0.085 0.000 2.012 108 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 108 L C 2.453 179.286 176.870 -0.062 0.000 1.073 108 L CA 2.441 57.234 54.840 -0.078 0.000 0.748 108 L CB -1.003 40.999 42.059 -0.094 0.000 0.891 108 L HN 0.225 nan 8.230 nan 0.000 0.431 109 A N -0.612 122.173 122.820 -0.059 0.000 1.972 109 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 109 A C 2.447 180.008 177.584 -0.039 0.000 1.169 109 A CA 1.814 53.822 52.037 -0.049 0.000 0.635 109 A CB -0.591 18.383 19.000 -0.043 0.000 0.810 109 A HN 0.494 nan 8.150 nan 0.000 0.446 110 R N -0.630 119.848 120.500 -0.036 0.000 2.073 110 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 110 R C 1.945 178.231 176.300 -0.023 0.000 1.120 110 R CA 1.480 57.565 56.100 -0.025 0.000 0.967 110 R CB -0.669 29.617 30.300 -0.024 0.000 0.862 110 R HN 0.432 nan 8.270 nan 0.000 0.436 111 L N -0.013 121.192 121.223 -0.031 0.000 2.012 111 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 111 L C 1.917 178.770 176.870 -0.027 0.000 1.073 111 L CA 1.694 56.517 54.840 -0.028 0.000 0.748 111 L CB -0.578 41.459 42.059 -0.036 0.000 0.891 111 L HN 0.076 nan 8.230 nan 0.000 0.431 112 V N -0.855 119.037 119.914 -0.036 0.000 2.332 112 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 112 V C 2.786 178.865 176.094 -0.026 0.000 1.055 112 V CA 1.902 64.180 62.300 -0.038 0.000 1.038 112 V CB -0.990 30.799 31.823 -0.055 0.000 0.651 112 V HN 0.678 nan 8.190 nan 0.000 0.450 113 S N -0.295 115.391 115.700 -0.023 0.000 2.353 113 S HA -0.186 4.284 4.470 -0.000 0.000 0.222 113 S C 1.944 176.543 174.600 -0.001 0.000 1.035 113 S CA 1.935 60.127 58.200 -0.013 0.000 1.025 113 S CB -0.401 62.793 63.200 -0.010 0.000 0.902 113 S HN 0.508 nan 8.310 nan 0.000 0.440 114 I N 1.795 122.366 120.570 0.001 0.000 2.208 114 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 114 I C 2.747 178.868 176.117 0.006 0.000 1.097 114 I CA 1.189 62.495 61.300 0.010 0.000 1.363 114 I CB -0.553 37.450 38.000 0.004 0.000 1.051 114 I HN 0.402 nan 8.210 nan 0.000 0.413 115 A N 0.001 122.819 122.820 -0.003 0.000 2.131 115 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 115 A C 2.085 179.671 177.584 0.003 0.000 1.158 115 A CA 1.243 53.278 52.037 -0.004 0.000 0.665 115 A CB -0.362 18.632 19.000 -0.010 0.000 0.795 115 A HN 0.421 nan 8.150 nan 0.000 0.460 116 Q N -1.176 118.627 119.800 0.006 0.000 2.436 116 Q HA 0.072 4.412 4.340 -0.000 0.000 0.209 116 Q C 1.261 177.271 176.000 0.017 0.000 0.965 116 Q CA 0.800 56.609 55.803 0.010 0.000 0.910 116 Q CB -0.621 28.121 28.738 0.007 0.000 0.980 116 Q HN 1.063 nan 8.270 nan 0.000 0.491 117 G N 0.336 109.149 108.800 0.022 0.000 2.212 117 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.255 117 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.255 117 G C 0.446 175.381 174.900 0.059 0.000 1.062 117 G CA 0.409 45.528 45.100 0.031 0.000 0.815 117 G HN 0.526 nan 8.290 nan 0.000 0.497 118 A N -1.012 121.855 122.820 0.078 0.000 2.635 118 A HA 0.729 5.049 4.320 -0.000 0.000 0.279 118 A C 1.599 179.308 177.584 0.209 0.000 1.122 118 A CA 1.346 53.457 52.037 0.123 0.000 0.965 118 A CB 0.302 19.334 19.000 0.053 0.000 1.221 118 A HN 0.775 nan 8.150 nan 0.000 0.566 119 S N -1.172 114.647 115.700 0.198 0.000 2.505 119 S HA 0.366 4.836 4.470 -0.000 0.000 0.216 119 S C 1.521 176.295 174.600 0.290 0.000 1.018 119 S CA 0.661 59.007 58.200 0.244 0.000 0.911 119 S CB 0.450 63.721 63.200 0.118 0.000 0.818 119 S HN 1.660 nan 8.310 nan 0.000 0.497 120 G N 1.981 110.861 108.800 0.133 0.000 2.155 120 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.257 120 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.257 120 G C 0.232 175.099 174.900 -0.056 0.000 0.983 120 G CA 0.062 45.115 45.100 -0.077 0.000 0.676 120 G HN 0.900 nan 8.290 nan 0.000 0.528 121 A N 0.388 123.203 122.820 -0.007 0.000 2.511 121 A HA 0.612 4.932 4.320 -0.000 0.000 0.242 121 A C 1.175 178.707 177.584 -0.086 0.000 1.069 121 A CA 1.018 53.038 52.037 -0.029 0.000 0.763 121 A CB 0.206 19.200 19.000 -0.010 0.000 1.001 121 A HN 2.042 nan 8.150 nan 0.000 0.498 122 S N 1.691 117.307 115.700 -0.139 0.000 2.600 122 S HA 0.160 4.630 4.470 -0.000 0.000 0.265 122 S C 0.758 175.252 174.600 -0.177 0.000 1.325 122 S CA 0.163 58.204 58.200 -0.264 0.000 1.002 122 S CB 0.650 63.516 63.200 -0.557 0.000 0.921 122 S HN 0.719 nan 8.310 nan 0.000 0.554 123 E N 1.464 121.556 120.200 -0.180 0.000 2.085 123 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 123 E C 2.125 178.679 176.600 -0.077 0.000 0.994 123 E CA 1.215 57.553 56.400 -0.103 0.000 0.801 123 E CB -0.749 28.900 29.700 -0.084 0.000 0.743 123 E HN 0.905 nan 8.360 nan 0.000 0.453 124 G N 0.467 109.214 108.800 -0.089 0.000 2.408 124 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 124 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 124 G C 1.622 176.507 174.900 -0.026 0.000 1.150 124 G CA 1.178 46.256 45.100 -0.037 0.000 0.776 124 G HN 0.179 nan 8.290 nan 0.000 0.542 125 T N 1.321 115.851 114.554 -0.040 0.000 2.746 125 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 125 T C 2.369 177.057 174.700 -0.020 0.000 1.039 125 T CA 0.859 62.947 62.100 -0.020 0.000 1.142 125 T CB -0.138 68.717 68.868 -0.023 0.000 0.866 125 T HN 0.240 nan 8.240 nan 0.000 0.444 126 I N 1.209 121.760 120.570 -0.032 0.000 2.315 126 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 126 I C 2.873 178.978 176.117 -0.020 0.000 1.117 126 I CA 0.953 62.237 61.300 -0.026 0.000 1.404 126 I CB -0.432 37.549 38.000 -0.031 0.000 1.071 126 I HN 0.193 nan 8.210 nan 0.000 0.419 127 A N 0.845 123.653 122.820 -0.020 0.000 1.902 127 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 127 A C 2.332 179.913 177.584 -0.005 0.000 1.181 127 A CA 1.225 53.254 52.037 -0.013 0.000 0.623 127 A CB -0.387 18.606 19.000 -0.011 0.000 0.818 127 A HN 0.235 nan 8.150 nan 0.000 0.443 128 R N -0.090 120.411 120.500 0.001 0.000 2.105 128 R HA -0.075 4.265 4.340 -0.000 0.000 0.239 128 R C 2.023 178.331 176.300 0.013 0.000 1.135 128 R CA 1.294 57.403 56.100 0.014 0.000 0.967 128 R CB -1.084 29.229 30.300 0.023 0.000 0.861 128 R HN 0.611 nan 8.270 nan 0.000 0.442 129 L N 0.023 121.246 121.223 -0.000 0.000 2.027 129 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 129 L C 2.506 179.366 176.870 -0.017 0.000 1.074 129 L CA 1.087 55.921 54.840 -0.010 0.000 0.745 129 L CB -0.476 41.572 42.059 -0.019 0.000 0.898 129 L HN 0.057 nan 8.230 nan 0.000 0.433 130 I N 0.023 120.583 120.570 -0.017 0.000 2.226 130 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 130 I C 2.148 178.256 176.117 -0.015 0.000 1.100 130 I CA 1.205 62.493 61.300 -0.020 0.000 1.374 130 I CB -0.374 37.615 38.000 -0.017 0.000 1.057 130 I HN 0.265 nan 8.210 nan 0.000 0.413 131 D N 0.703 121.098 120.400 -0.007 0.000 2.117 131 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 131 D C 2.139 178.438 176.300 -0.001 0.000 0.987 131 D CA 0.955 54.953 54.000 -0.003 0.000 0.829 131 D CB -0.354 40.446 40.800 -0.000 0.000 0.961 131 D HN 0.155 nan 8.370 nan 0.000 0.460 132 L N 0.845 122.073 121.223 0.009 0.000 2.012 132 L HA -0.159 4.180 4.340 -0.000 0.000 0.210 132 L C 2.158 179.017 176.870 -0.019 0.000 1.073 132 L CA 1.461 56.313 54.840 0.020 0.000 0.748 132 L CB -0.898 41.187 42.059 0.043 0.000 0.891 132 L HN 0.098 nan 8.230 nan 0.000 0.431 133 L N 0.071 121.267 121.223 -0.044 0.000 2.131 133 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 133 L C 1.923 178.766 176.870 -0.044 0.000 1.092 133 L CA 0.901 55.695 54.840 -0.076 0.000 0.759 133 L CB -0.576 41.436 42.059 -0.078 0.000 0.903 133 L HN 0.365 nan 8.230 nan 0.000 0.435 134 N N -0.484 118.205 118.700 -0.017 0.000 2.412 134 N HA -0.013 4.727 4.740 -0.000 0.000 0.184 134 N C 0.850 176.373 175.510 0.022 0.000 1.101 134 N CA 0.357 53.407 53.050 0.001 0.000 0.881 134 N CB 0.162 38.648 38.487 -0.001 0.000 0.969 134 N HN 0.336 nan 8.380 nan 0.000 0.459 135 S N 0.260 115.976 115.700 0.026 0.000 2.713 135 S HA 0.198 4.668 4.470 -0.000 0.000 0.277 135 S C 0.952 175.628 174.600 0.126 0.000 1.168 135 S CA -0.640 57.589 58.200 0.049 0.000 0.994 135 S CB 1.294 64.507 63.200 0.023 0.000 1.054 135 S HN 0.297 nan 8.310 nan 0.000 0.555 136 E N -0.270 120.028 120.200 0.162 0.000 2.465 136 E HA 0.272 4.622 4.350 -0.000 0.000 0.191 136 E C -0.010 176.895 176.600 0.508 0.000 1.053 136 E CA -0.215 56.370 56.400 0.307 0.000 0.869 136 E CB -0.308 29.480 29.700 0.147 0.000 0.977 136 E HN 0.527 nan 8.360 nan 0.000 0.483 137 L N 0.644 122.077 121.223 0.351 0.000 2.331 137 L HA 0.789 5.129 4.340 -0.000 0.000 0.268 137 L C -0.186 176.810 176.870 0.209 0.000 1.015 137 L CA -1.192 53.892 54.840 0.405 0.000 0.807 137 L CB 1.680 43.863 42.059 0.206 0.000 1.293 137 L HN 0.070 nan 8.230 nan 0.000 0.451 138 A N 0.871 123.831 122.820 0.234 0.000 2.515 138 A HA 0.821 5.141 4.320 -0.000 0.000 0.298 138 A C -2.803 174.853 177.584 0.119 0.000 1.059 138 A CA -1.418 50.605 52.037 -0.024 0.000 0.698 138 A CB 1.886 20.695 19.000 -0.318 0.000 1.289 138 A HN 0.371 nan 8.150 nan 0.000 0.404 139 P HA 0.405 nan 4.420 nan 0.000 0.278 139 P C -0.403 176.799 177.300 -0.164 0.000 1.238 139 P CA 0.016 62.950 63.100 -0.277 0.000 0.794 139 P CB 1.404 32.942 31.700 -0.271 0.000 0.955 140 A N 3.230 125.932 122.820 -0.196 0.000 2.391 140 A HA 0.502 4.822 4.320 -0.000 0.000 0.316 140 A C 0.220 177.729 177.584 -0.124 0.000 1.381 140 A CA -0.480 51.497 52.037 -0.099 0.000 0.998 140 A CB -0.489 18.475 19.000 -0.060 0.000 1.147 140 A HN 0.443 nan 8.150 nan 0.000 0.545 141 V N 1.025 120.871 119.914 -0.114 0.000 2.604 141 V HA 0.755 4.875 4.120 -0.000 0.000 0.305 141 V C -2.798 173.186 176.094 -0.184 0.000 1.043 141 V CA -2.643 59.564 62.300 -0.156 0.000 0.888 141 V CB 1.804 33.574 31.823 -0.087 0.000 0.995 141 V HN 0.641 nan 8.190 nan 0.000 0.429 142 P HA 0.105 nan 4.420 nan 0.000 0.266 142 P C 0.796 178.016 177.300 -0.133 0.000 1.195 142 P CA 0.406 63.365 63.100 -0.234 0.000 0.768 142 P CB 1.231 32.724 31.700 -0.345 0.000 0.838 143 S N 2.421 118.076 115.700 -0.076 0.000 2.496 143 S HA 0.037 4.507 4.470 -0.000 0.000 0.224 143 S C 0.812 175.398 174.600 -0.024 0.000 0.996 143 S CA 0.066 58.243 58.200 -0.038 0.000 0.927 143 S CB -0.079 63.110 63.200 -0.018 0.000 0.774 143 S HN 0.415 nan 8.310 nan 0.000 0.524 144 R N -0.382 120.100 120.500 -0.029 0.000 2.787 144 R HA 0.647 4.987 4.340 -0.000 0.000 0.271 144 R C 0.698 176.998 176.300 -0.001 0.000 0.993 144 R CA -0.148 55.946 56.100 -0.010 0.000 0.993 144 R CB 1.564 31.860 30.300 -0.007 0.000 1.155 144 R HN 0.280 nan 8.270 nan 0.000 0.486 145 G N 0.105 108.913 108.800 0.013 0.000 2.551 145 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.186 145 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.186 145 G C 0.029 174.944 174.900 0.026 0.000 1.002 145 G CA -0.022 45.093 45.100 0.026 0.000 0.723 145 G HN 0.609 nan 8.290 nan 0.000 0.481 146 T N 0.499 115.065 114.554 0.021 0.000 2.895 146 T HA 0.545 4.895 4.350 -0.000 0.000 0.283 146 T C 1.324 176.039 174.700 0.025 0.000 1.014 146 T CA 0.420 62.531 62.100 0.019 0.000 1.037 146 T CB 1.697 70.574 68.868 0.014 0.000 1.006 146 T HN 1.160 nan 8.240 nan 0.000 0.468 147 V N 1.280 121.210 119.914 0.027 0.000 3.376 147 V HA 0.624 4.744 4.120 -0.000 0.000 0.313 147 V C 1.132 177.255 176.094 0.047 0.000 1.393 147 V CA 0.213 62.536 62.300 0.038 0.000 1.125 147 V CB -1.242 30.605 31.823 0.039 0.000 1.037 147 V HN 1.379 nan 8.190 nan 0.000 0.440 153 L N -0.274 120.914 121.223 -0.058 0.000 2.012 153 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 153 L C 2.385 179.201 176.870 -0.091 0.000 1.073 153 L CA 1.519 56.302 54.840 -0.096 0.000 0.748 153 L CB -0.701 41.278 42.059 -0.133 0.000 0.891 153 L HN 0.099 nan 8.230 nan 0.000 0.431 154 T N 0.369 114.892 114.554 -0.051 0.000 2.643 154 T HA -0.086 4.264 4.350 -0.000 0.000 0.264 154 T C -0.438 174.314 174.700 0.087 0.000 1.045 154 T CA 1.770 63.867 62.100 -0.005 0.000 1.155 154 T CB -1.126 67.767 68.868 0.043 0.000 0.863 154 T HN 0.309 nan 8.240 nan 0.000 0.420 155 P HA 0.012 nan 4.420 nan 0.000 0.218 155 P C 1.572 178.897 177.300 0.043 0.000 1.149 155 P CA 0.968 64.115 63.100 0.077 0.000 0.817 155 P CB -0.229 31.480 31.700 0.015 0.000 0.785 156 L N -0.716 120.502 121.223 -0.008 0.000 2.141 156 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 156 L C 2.749 179.580 176.870 -0.065 0.000 1.094 156 L CA 1.271 56.089 54.840 -0.037 0.000 0.763 156 L CB -0.987 41.044 42.059 -0.047 0.000 0.908 156 L HN -0.052 nan 8.230 nan 0.000 0.437 157 A N -0.940 121.818 122.820 -0.104 0.000 1.898 157 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 157 A C 2.126 179.602 177.584 -0.181 0.000 1.181 157 A CA 1.231 53.157 52.037 -0.185 0.000 0.620 157 A CB -0.695 18.136 19.000 -0.281 0.000 0.819 157 A HN 0.391 nan 8.150 nan 0.000 0.442 158 H N -1.099 117.916 119.070 -0.092 0.000 2.387 158 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 158 H C 2.090 177.349 175.328 -0.114 0.000 1.090 158 H CA 1.796 57.790 56.048 -0.090 0.000 1.332 158 H CB -0.273 29.440 29.762 -0.082 0.000 1.386 158 H HN 0.599 nan 8.280 nan 0.000 0.516 159 M N 0.499 120.100 119.600 0.001 0.000 2.117 159 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 159 M C 2.117 178.369 176.300 -0.079 0.000 1.065 159 M CA 1.283 56.543 55.300 -0.067 0.000 1.114 159 M CB -0.132 32.433 32.600 -0.058 0.000 1.361 159 M HN -0.009 nan 8.290 nan 0.000 0.408 160 V N 1.339 121.212 119.914 -0.069 0.000 2.332 160 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 160 V C 2.443 178.504 176.094 -0.055 0.000 1.055 160 V CA 1.808 64.071 62.300 -0.062 0.000 1.038 160 V CB -0.711 31.064 31.823 -0.081 0.000 0.651 160 V HN 0.545 nan 8.190 nan 0.000 0.450 161 L N -1.002 120.181 121.223 -0.066 0.000 2.046 161 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 161 L C 2.658 179.499 176.870 -0.049 0.000 1.077 161 L CA 1.644 56.459 54.840 -0.041 0.000 0.747 161 L CB -0.757 41.280 42.059 -0.037 0.000 0.896 161 L HN 0.407 nan 8.230 nan 0.000 0.432 162 C N -0.047 119.177 119.300 -0.127 0.000 2.436 162 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 162 C C 2.675 177.586 174.990 -0.133 0.000 1.241 162 C CA 0.474 59.309 59.018 -0.305 0.000 1.721 162 C CB -0.888 26.498 27.740 -0.590 0.000 2.043 162 C HN 0.439 nan 8.230 nan 0.000 0.472 163 L N 0.374 121.576 121.223 -0.034 0.000 2.353 163 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 163 L C 2.398 179.346 176.870 0.129 0.000 1.133 163 L CA 1.288 56.206 54.840 0.130 0.000 0.798 163 L CB -0.676 41.422 42.059 0.066 0.000 0.922 163 L HN 0.550 nan 8.230 nan 0.000 0.445 164 Q N -0.393 119.454 119.800 0.078 0.000 2.360 164 Q HA 0.121 4.461 4.340 -0.000 0.000 0.202 164 Q C 1.333 177.392 176.000 0.098 0.000 0.915 164 Q CA 0.493 56.338 55.803 0.070 0.000 0.943 164 Q CB 0.643 29.403 28.738 0.037 0.000 1.064 164 Q HN 0.553 nan 8.270 nan 0.000 0.511 165 G N 1.822 110.715 108.800 0.155 0.000 2.136 165 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.242 165 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.242 165 G C 0.507 175.480 174.900 0.122 0.000 0.989 165 G CA 0.107 45.319 45.100 0.187 0.000 0.682 165 G HN 0.323 nan 8.290 nan 0.000 0.522 166 R N -0.050 120.496 120.500 0.077 0.000 2.546 166 R HA 0.469 4.809 4.340 -0.000 0.000 0.320 166 R C 0.982 177.299 176.300 0.029 0.000 1.021 166 R CA 0.458 56.589 56.100 0.052 0.000 1.088 166 R CB 0.931 31.259 30.300 0.047 0.000 1.278 166 R HN 0.520 nan 8.270 nan 0.000 0.557 167 G N -0.289 108.514 108.800 0.004 0.000 2.704 167 G HA2 0.248 4.208 3.960 -0.000 0.000 0.293 167 G HA3 0.248 4.208 3.960 -0.000 0.000 0.293 167 G C -1.429 173.418 174.900 -0.088 0.000 1.421 167 G CA -0.637 44.435 45.100 -0.045 0.000 0.870 167 G HN -0.131 nan 8.290 nan 0.000 0.492 168 D N -0.546 119.812 120.400 -0.070 0.000 2.371 168 D HA 0.560 5.200 4.640 -0.000 0.000 0.242 168 D C -0.478 175.724 176.300 -0.165 0.000 1.218 168 D CA 0.610 54.603 54.000 -0.012 0.000 0.945 168 D CB 0.752 41.563 40.800 0.019 0.000 1.137 168 D HN 0.111 nan 8.370 nan 0.000 0.464 169 F N -0.717 119.258 119.950 0.042 0.000 2.611 169 F HA 0.519 5.046 4.527 -0.000 0.000 0.324 169 F C -0.275 175.572 175.800 0.077 0.000 1.061 169 F CA -0.903 57.131 58.000 0.055 0.000 0.954 169 F CB 1.241 40.275 39.000 0.056 0.000 1.301 169 F HN -0.067 nan 8.300 nan 0.000 0.482 170 L N 1.679 123.104 121.223 0.337 0.000 2.362 170 L HA 0.440 4.780 4.340 -0.000 0.000 0.271 170 L C -0.938 176.150 176.870 0.364 0.000 1.002 170 L CA -1.025 53.987 54.840 0.288 0.000 0.818 170 L CB 1.871 44.100 42.059 0.285 0.000 1.298 170 L HN 0.590 nan 8.230 nan 0.000 0.420 171 D N 1.704 122.218 120.400 0.191 0.000 2.437 171 D HA 0.137 4.777 4.640 -0.000 0.000 0.259 171 D C 0.835 176.986 176.300 -0.248 0.000 1.118 171 D CA -0.676 53.363 54.000 0.064 0.000 1.017 171 D CB 1.154 41.949 40.800 -0.008 0.000 1.120 171 D HN 0.440 nan 8.370 nan 0.000 0.541 172 R N -0.369 119.721 120.500 -0.683 0.000 2.139 172 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 172 R C 0.521 176.482 176.300 -0.565 0.000 1.145 172 R CA 1.609 56.966 56.100 -1.239 0.000 0.976 172 R CB -0.075 29.584 30.300 -1.068 0.000 0.866 172 R HN 0.467 nan 8.270 nan 0.000 0.449 173 D N -1.407 118.815 120.400 -0.297 0.000 2.349 173 D HA 0.056 4.696 4.640 -0.000 0.000 0.224 173 D C 0.999 177.255 176.300 -0.073 0.000 1.029 173 D CA 1.071 54.979 54.000 -0.154 0.000 0.879 173 D CB 0.651 41.387 40.800 -0.106 0.000 0.906 173 D HN 0.555 nan 8.370 nan 0.000 0.528 174 G N 0.895 109.668 108.800 -0.045 0.000 2.175 174 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 174 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 174 G C 0.535 175.457 174.900 0.036 0.000 0.982 174 G CA 0.194 45.312 45.100 0.031 0.000 0.641 174 G HN 0.283 nan 8.290 nan 0.000 0.527 175 T N 2.886 117.451 114.554 0.018 0.000 2.853 175 T HA 0.429 4.779 4.350 -0.000 0.000 0.298 175 T C 0.783 175.519 174.700 0.060 0.000 0.978 175 T CA -0.084 62.032 62.100 0.027 0.000 1.152 175 T CB 0.808 69.681 68.868 0.009 0.000 0.914 175 T HN 0.277 nan 8.240 nan 0.000 0.539 176 R N 3.041 123.576 120.500 0.058 0.000 2.390 176 R HA 0.476 4.816 4.340 -0.000 0.000 0.291 176 R C -0.394 175.957 176.300 0.085 0.000 1.070 176 R CA -0.347 55.800 56.100 0.078 0.000 1.014 176 R CB 0.728 31.062 30.300 0.056 0.000 1.007 176 R HN 0.562 nan 8.270 nan 0.000 0.466 177 L N 2.272 123.571 121.223 0.127 0.000 2.381 177 L HA 0.276 4.616 4.340 -0.000 0.000 0.268 177 L C 0.146 177.113 176.870 0.161 0.000 0.997 177 L CA -1.244 53.671 54.840 0.125 0.000 0.818 177 L CB 2.039 44.175 42.059 0.128 0.000 1.310 177 L HN 0.620 nan 8.230 nan 0.000 0.416 178 D N 1.212 121.685 120.400 0.123 0.000 2.371 178 D HA 0.074 4.714 4.640 -0.000 0.000 0.242 178 D C 1.209 177.634 176.300 0.209 0.000 1.218 178 D CA -0.011 54.067 54.000 0.130 0.000 0.945 178 D CB 0.957 41.806 40.800 0.082 0.000 1.137 178 D HN 0.573 nan 8.370 nan 0.000 0.464 179 G N -0.128 108.796 108.800 0.207 0.000 2.476 179 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 179 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 179 G C 1.509 176.539 174.900 0.217 0.000 1.164 179 G CA 1.930 47.208 45.100 0.297 0.000 0.768 179 G HN 0.708 nan 8.290 nan 0.000 0.560 180 A N 0.639 123.529 122.820 0.117 0.000 1.877 180 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 180 A C 2.227 179.823 177.584 0.021 0.000 1.186 180 A CA 2.317 54.390 52.037 0.061 0.000 0.620 180 A CB -0.454 18.572 19.000 0.044 0.000 0.822 180 A HN 0.407 nan 8.150 nan 0.000 0.443 181 E N 0.144 120.361 120.200 0.028 0.000 2.150 181 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 181 E C 1.936 178.489 176.600 -0.078 0.000 0.985 181 E CA 1.394 57.790 56.400 -0.008 0.000 0.814 181 E CB -0.813 28.897 29.700 0.017 0.000 0.752 181 E HN 0.401 nan 8.360 nan 0.000 0.466 182 G N 0.792 109.528 108.800 -0.106 0.000 2.421 182 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 182 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 182 G C 1.599 176.104 174.900 -0.658 0.000 1.171 182 G CA 0.916 45.709 45.100 -0.512 0.000 0.775 182 G HN 0.317 nan 8.290 nan 0.000 0.543 183 L N -0.224 120.754 121.223 -0.408 0.000 2.046 183 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 183 L C 3.206 179.976 176.870 -0.168 0.000 1.077 183 L CA 1.106 55.794 54.840 -0.254 0.000 0.747 183 L CB -0.372 41.641 42.059 -0.076 0.000 0.896 183 L HN 0.176 nan 8.230 nan 0.000 0.432 184 R N -0.236 120.191 120.500 -0.121 0.000 2.062 184 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 184 R C 2.414 178.660 176.300 -0.090 0.000 1.136 184 R CA 1.226 57.279 56.100 -0.079 0.000 0.948 184 R CB -0.403 29.867 30.300 -0.050 0.000 0.845 184 R HN 0.113 nan 8.270 nan 0.000 0.430 185 R N 0.863 121.297 120.500 -0.110 0.000 2.103 185 R HA -0.099 4.241 4.340 -0.000 0.000 0.242 185 R C 1.886 178.127 176.300 -0.099 0.000 1.142 185 R CA 2.066 58.111 56.100 -0.093 0.000 0.960 185 R CB -0.946 29.298 30.300 -0.093 0.000 0.858 185 R HN 0.335 nan 8.270 nan 0.000 0.439 186 G N -0.823 107.881 108.800 -0.161 0.000 3.042 186 G HA2 0.004 3.964 3.960 -0.000 0.000 0.212 186 G HA3 0.004 3.964 3.960 -0.000 0.000 0.212 186 G C -0.417 174.429 174.900 -0.090 0.000 1.166 186 G CA -0.016 45.008 45.100 -0.126 0.000 0.767 186 G HN 0.374 nan 8.290 nan 0.000 0.546 187 R N -0.931 119.517 120.500 -0.086 0.000 3.205 187 R HA -0.136 4.204 4.340 -0.000 0.000 0.249 187 R C -0.733 175.536 176.300 -0.052 0.000 0.937 187 R CA 0.368 56.434 56.100 -0.056 0.000 0.641 187 R CB -2.255 28.024 30.300 -0.035 0.000 1.114 187 R HN 0.343 nan 8.270 nan 0.000 0.451 188 L N 0.652 121.832 121.223 -0.071 0.000 2.334 188 L HA 0.431 4.771 4.340 -0.000 0.000 0.273 188 L C 0.550 177.407 176.870 -0.023 0.000 1.013 188 L CA -1.157 53.655 54.840 -0.047 0.000 0.816 188 L CB 1.717 43.734 42.059 -0.069 0.000 1.278 188 L HN -0.001 nan 8.230 nan 0.000 0.431 189 Q N 2.576 122.376 119.800 0.001 0.000 2.230 189 Q HA 0.395 4.735 4.340 -0.000 0.000 0.253 189 Q C -2.332 173.686 176.000 0.031 0.000 0.919 189 Q CA -1.982 53.828 55.803 0.012 0.000 0.908 189 Q CB 1.464 30.210 28.738 0.012 0.000 1.245 189 Q HN 0.301 nan 8.270 nan 0.000 0.437 190 P HA -0.019 nan 4.420 nan 0.000 0.268 190 P C -0.262 177.066 177.300 0.047 0.000 1.204 190 P CA -0.464 62.667 63.100 0.052 0.000 0.768 190 P CB 0.576 32.303 31.700 0.045 0.000 0.842 191 L N 3.130 124.385 121.223 0.053 0.000 2.462 191 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 191 L C -0.109 176.782 176.870 0.035 0.000 1.166 191 L CA 0.558 55.423 54.840 0.040 0.000 0.880 191 L CB -0.479 41.601 42.059 0.035 0.000 1.142 191 L HN 0.283 nan 8.230 nan 0.000 0.473 192 D N 4.607 125.032 120.400 0.041 0.000 2.425 192 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 192 D C -0.127 176.212 176.300 0.065 0.000 1.080 192 D CA -0.183 53.844 54.000 0.046 0.000 0.836 192 D CB 0.799 41.631 40.800 0.053 0.000 1.125 192 D HN 0.631 nan 8.370 nan 0.000 0.525 193 L N 3.197 124.446 121.223 0.043 0.000 2.783 193 L HA 0.113 4.453 4.340 -0.000 0.000 0.236 193 L C 1.858 178.756 176.870 0.046 0.000 1.225 193 L CA -0.138 54.733 54.840 0.052 0.000 1.026 193 L CB -0.187 41.882 42.059 0.017 0.000 1.314 193 L HN 0.401 nan 8.230 nan 0.000 0.489 194 S N -2.107 113.608 115.700 0.026 0.000 2.442 194 S HA -0.212 4.258 4.470 -0.000 0.000 0.236 194 S C 1.434 175.963 174.600 -0.117 0.000 1.007 194 S CA 0.939 59.100 58.200 -0.064 0.000 0.965 194 S CB -0.458 62.663 63.200 -0.131 0.000 0.773 194 S HN 0.542 nan 8.310 nan 0.000 0.504 195 H N 1.543 120.607 119.070 -0.011 0.000 2.556 195 H HA 0.358 4.914 4.556 -0.000 0.000 0.268 195 H C 0.578 175.898 175.328 -0.015 0.000 0.996 195 H CA 0.368 56.406 56.048 -0.017 0.000 1.157 195 H CB -0.150 29.598 29.762 -0.023 0.000 1.355 195 H HN 0.355 nan 8.280 nan 0.000 0.597 196 R N 0.790 121.338 120.500 0.079 0.000 3.651 196 R HA -0.138 4.202 4.340 -0.000 0.000 0.292 196 R C -0.640 175.706 176.300 0.077 0.000 1.161 196 R CA 0.849 56.986 56.100 0.062 0.000 0.787 196 R CB -1.742 28.586 30.300 0.046 0.000 1.249 196 R HN 0.546 nan 8.270 nan 0.000 0.476 197 D N -0.847 119.601 120.400 0.080 0.000 2.491 197 D HA 0.205 4.845 4.640 -0.000 0.000 0.228 197 D C 1.285 177.622 176.300 0.062 0.000 1.183 197 D CA 0.376 54.417 54.000 0.069 0.000 0.827 197 D CB 0.268 41.092 40.800 0.040 0.000 0.989 197 D HN 0.308 nan 8.370 nan 0.000 0.494 198 A N 0.435 123.287 122.820 0.054 0.000 1.978 198 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 198 A C 1.924 179.523 177.584 0.025 0.000 1.170 198 A CA 0.835 52.885 52.037 0.021 0.000 0.636 198 A CB -0.518 18.480 19.000 -0.003 0.000 0.810 198 A HN 0.288 nan 8.150 nan 0.000 0.448 199 L N -0.810 120.460 121.223 0.078 0.000 2.551 199 L HA 0.017 4.357 4.340 -0.000 0.000 0.228 199 L C 2.620 179.544 176.870 0.089 0.000 1.153 199 L CA 1.202 56.099 54.840 0.096 0.000 0.851 199 L CB -0.453 41.715 42.059 0.182 0.000 0.959 199 L HN 0.379 nan 8.230 nan 0.000 0.451 200 A N -1.226 121.645 122.820 0.084 0.000 2.119 200 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 200 A C 2.095 179.698 177.584 0.032 0.000 1.152 200 A CA 0.946 53.026 52.037 0.071 0.000 0.708 200 A CB -0.222 18.818 19.000 0.067 0.000 0.805 200 A HN 0.394 nan 8.150 nan 0.000 0.460 201 L N -1.220 120.010 121.223 0.013 0.000 2.500 201 L HA 0.143 4.483 4.340 -0.000 0.000 0.219 201 L C -0.014 176.839 176.870 -0.028 0.000 1.057 201 L CA 0.211 55.044 54.840 -0.011 0.000 0.854 201 L CB 0.455 42.501 42.059 -0.021 0.000 1.078 201 L HN 0.037 nan 8.230 nan 0.000 0.480 202 V N 1.983 121.874 119.914 -0.040 0.000 2.247 202 V HA 0.396 4.516 4.120 -0.000 0.000 0.262 202 V C -0.494 175.575 176.094 -0.042 0.000 1.096 202 V CA -0.230 62.027 62.300 -0.071 0.000 0.895 202 V CB -0.068 31.673 31.823 -0.137 0.000 1.141 202 V HN 0.324 nan 8.190 nan 0.000 0.478 203 N N 1.980 120.669 118.700 -0.018 0.000 3.348 203 N HA 0.493 5.233 4.740 -0.000 0.000 0.233 203 N C -0.068 175.462 175.510 0.033 0.000 1.440 203 N CA 0.580 53.639 53.050 0.015 0.000 0.887 203 N CB 2.231 40.747 38.487 0.047 0.000 1.410 203 N HN 0.770 nan 8.380 nan 0.000 0.502 204 G N -0.002 108.849 108.800 0.085 0.000 2.697 204 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.240 204 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.240 204 G C 0.192 175.136 174.900 0.073 0.000 1.346 204 G CA 0.474 45.629 45.100 0.092 0.000 0.887 204 G HN 1.206 nan 8.290 nan 0.000 0.569 205 T N -3.025 111.559 114.554 0.049 0.000 3.269 205 T HA 0.576 4.926 4.350 -0.000 0.000 0.269 205 T C 1.793 176.498 174.700 0.009 0.000 0.993 205 T CA 0.932 63.053 62.100 0.034 0.000 0.909 205 T CB 0.472 69.358 68.868 0.030 0.000 1.115 205 T HN 0.805 nan 8.240 nan 0.000 0.543 206 S N 1.730 117.431 115.700 0.002 0.000 2.374 206 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 206 S C 2.485 177.076 174.600 -0.015 0.000 1.037 206 S CA 1.357 59.549 58.200 -0.013 0.000 1.024 206 S CB -0.634 62.555 63.200 -0.018 0.000 0.861 206 S HN 0.840 nan 8.310 nan 0.000 0.456 207 A N 2.710 125.525 122.820 -0.008 0.000 1.841 207 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 207 A C 2.293 179.878 177.584 0.003 0.000 1.195 207 A CA 1.899 53.932 52.037 -0.007 0.000 0.611 207 A CB -0.867 18.132 19.000 -0.003 0.000 0.835 207 A HN 0.663 nan 8.150 nan 0.000 0.443 208 M N -1.403 118.203 119.600 0.011 0.000 2.202 208 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 208 M C 1.790 178.097 176.300 0.012 0.000 1.063 208 M CA 2.353 57.664 55.300 0.018 0.000 1.097 208 M CB -1.307 31.307 32.600 0.023 0.000 1.382 208 M HN 0.186 nan 8.290 nan 0.000 0.413 209 T N 1.093 115.645 114.554 -0.004 0.000 2.777 209 T HA 0.015 4.365 4.350 -0.000 0.000 0.266 209 T C 1.966 176.662 174.700 -0.006 0.000 1.040 209 T CA 1.629 63.718 62.100 -0.018 0.000 1.141 209 T CB -0.723 68.126 68.868 -0.032 0.000 0.868 209 T HN 0.720 nan 8.240 nan 0.000 0.444 210 G N 1.234 110.029 108.800 -0.009 0.000 2.402 210 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 210 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 210 G C 1.525 176.437 174.900 0.020 0.000 1.162 210 G CA 0.427 45.522 45.100 -0.009 0.000 0.777 210 G HN 0.482 nan 8.290 nan 0.000 0.539 211 I N 1.372 121.959 120.570 0.029 0.000 2.179 211 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 211 I C 3.289 179.458 176.117 0.086 0.000 1.088 211 I CA 0.998 62.330 61.300 0.053 0.000 1.357 211 I CB -0.235 37.794 38.000 0.048 0.000 1.051 211 I HN 0.233 nan 8.210 nan 0.000 0.409 212 A N 1.407 124.281 122.820 0.090 0.000 1.933 212 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 212 A C 2.263 179.955 177.584 0.179 0.000 1.175 212 A CA 1.928 54.058 52.037 0.156 0.000 0.628 212 A CB -0.873 18.189 19.000 0.102 0.000 0.814 212 A HN 0.517 nan 8.150 nan 0.000 0.444 213 L N -1.820 119.470 121.223 0.111 0.000 2.141 213 L HA -0.009 4.331 4.340 -0.000 0.000 0.209 213 L C 1.992 178.972 176.870 0.183 0.000 1.094 213 L CA 1.676 56.590 54.840 0.124 0.000 0.763 213 L CB -1.106 40.992 42.059 0.065 0.000 0.908 213 L HN 0.013 nan 8.230 nan 0.000 0.437 214 V N 0.848 120.869 119.914 0.178 0.000 2.453 214 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 214 V C 2.472 178.691 176.094 0.209 0.000 1.048 214 V CA 1.706 64.153 62.300 0.245 0.000 1.049 214 V CB -0.962 30.970 31.823 0.182 0.000 0.672 214 V HN 0.506 nan 8.190 nan 0.000 0.457 215 N N 0.904 119.699 118.700 0.158 0.000 2.104 215 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 215 N C 1.911 177.472 175.510 0.085 0.000 1.024 215 N CA 1.727 54.846 53.050 0.114 0.000 0.853 215 N CB -0.573 37.965 38.487 0.085 0.000 1.008 215 N HN 0.482 nan 8.380 nan 0.000 0.424 216 A N 0.352 123.247 122.820 0.124 0.000 1.883 216 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 216 A C 2.130 179.735 177.584 0.035 0.000 1.186 216 A CA 1.935 54.028 52.037 0.093 0.000 0.624 216 A CB -0.993 18.123 19.000 0.194 0.000 0.822 216 A HN 0.464 nan 8.150 nan 0.000 0.444 217 H N -0.206 118.838 119.070 -0.043 0.000 2.321 217 H HA 0.050 4.606 4.556 -0.000 0.000 0.300 217 H C 2.187 177.428 175.328 -0.144 0.000 1.087 217 H CA 1.951 57.885 56.048 -0.189 0.000 1.319 217 H CB -0.244 29.274 29.762 -0.406 0.000 1.379 217 H HN 0.394 nan 8.280 nan 0.000 0.501 218 A N -0.438 122.394 122.820 0.020 0.000 1.933 218 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 218 A C 2.700 180.272 177.584 -0.019 0.000 1.175 218 A CA 1.412 53.472 52.037 0.039 0.000 0.628 218 A CB -1.191 17.875 19.000 0.109 0.000 0.814 218 A HN 0.644 nan 8.150 nan 0.000 0.444 219 C N -1.291 118.014 119.300 0.009 0.000 2.435 219 C HA -0.030 4.430 4.460 -0.000 0.000 0.279 219 C C 2.784 177.757 174.990 -0.027 0.000 1.321 219 C CA 1.140 60.209 59.018 0.086 0.000 1.752 219 C CB -1.297 26.520 27.740 0.128 0.000 1.959 219 C HN 0.735 nan 8.230 nan 0.000 0.500 220 R N -0.139 120.243 120.500 -0.197 0.000 2.081 220 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 220 R C 2.232 178.333 176.300 -0.333 0.000 1.131 220 R CA 1.569 57.472 56.100 -0.328 0.000 0.960 220 R CB -0.410 29.600 30.300 -0.484 0.000 0.856 220 R HN 0.602 nan 8.270 nan 0.000 0.436 221 H N 0.482 119.414 119.070 -0.230 0.000 2.326 221 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 221 H C 2.165 177.475 175.328 -0.030 0.000 1.081 221 H CA 1.572 57.534 56.048 -0.144 0.000 1.334 221 H CB -0.184 29.497 29.762 -0.136 0.000 1.385 221 H HN 0.241 nan 8.280 nan 0.000 0.504 222 L N -0.178 121.019 121.223 -0.044 0.000 2.131 222 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 222 L C 2.696 179.401 176.870 -0.275 0.000 1.092 222 L CA 1.004 55.635 54.840 -0.349 0.000 0.759 222 L CB -0.672 40.811 42.059 -0.959 0.000 0.903 222 L HN 0.294 nan 8.230 nan 0.000 0.435 223 G N -0.229 108.547 108.800 -0.039 0.000 2.408 223 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 223 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 223 G C 1.395 176.374 174.900 0.131 0.000 1.150 223 G CA 0.367 45.612 45.100 0.242 0.000 0.776 223 G HN 0.302 nan 8.290 nan 0.000 0.542 224 N N 0.024 118.697 118.700 -0.045 0.000 2.244 224 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 224 N C 1.804 177.220 175.510 -0.156 0.000 1.016 224 N CA 0.746 53.716 53.050 -0.134 0.000 0.866 224 N CB -0.284 38.065 38.487 -0.229 0.000 0.980 224 N HN 0.574 nan 8.380 nan 0.000 0.430 225 W N 1.491 122.741 121.300 -0.083 0.000 2.418 225 W HA 0.107 4.767 4.660 -0.000 0.000 0.292 225 W C 2.446 178.934 176.519 -0.052 0.000 1.213 225 W CA 0.941 58.231 57.345 -0.091 0.000 1.283 225 W CB -0.289 29.070 29.460 -0.168 0.000 1.119 225 W HN 0.017 nan 8.180 nan 0.000 0.542 226 A N -0.232 122.704 122.820 0.193 0.000 1.933 226 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 226 A C 1.972 179.639 177.584 0.138 0.000 1.175 226 A CA 1.991 54.154 52.037 0.211 0.000 0.628 226 A CB -1.023 18.194 19.000 0.362 0.000 0.814 226 A HN 0.091 nan 8.150 nan 0.000 0.444 227 V N -0.348 119.634 119.914 0.113 0.000 2.323 227 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 227 V C 3.047 179.124 176.094 -0.030 0.000 1.041 227 V CA 1.826 64.137 62.300 0.018 0.000 1.025 227 V CB -1.103 30.741 31.823 0.034 0.000 0.656 227 V HN 0.597 nan 8.190 nan 0.000 0.451 228 A N -0.335 122.460 122.820 -0.041 0.000 1.933 228 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 228 A C 2.178 179.780 177.584 0.030 0.000 1.175 228 A CA 1.619 53.621 52.037 -0.059 0.000 0.628 228 A CB -0.455 18.424 19.000 -0.201 0.000 0.814 228 A HN 0.515 nan 8.150 nan 0.000 0.444 229 L N -1.177 120.103 121.223 0.095 0.000 2.131 229 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 229 L C 2.690 179.618 176.870 0.097 0.000 1.087 229 L CA 1.478 56.389 54.840 0.119 0.000 0.767 229 L CB -0.890 41.261 42.059 0.153 0.000 0.917 229 L HN 0.296 nan 8.230 nan 0.000 0.441 230 T N 0.254 114.856 114.554 0.080 0.000 2.746 230 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 230 T C 2.055 176.852 174.700 0.161 0.000 1.039 230 T CA 1.422 63.577 62.100 0.091 0.000 1.142 230 T CB -0.177 68.692 68.868 0.002 0.000 0.866 230 T HN 0.433 nan 8.240 nan 0.000 0.444 231 A N 1.208 124.090 122.820 0.102 0.000 1.902 231 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 231 A C 2.219 179.918 177.584 0.191 0.000 1.181 231 A CA 1.261 53.423 52.037 0.209 0.000 0.623 231 A CB -0.790 18.268 19.000 0.096 0.000 0.818 231 A HN 0.404 nan 8.150 nan 0.000 0.443 232 L N -0.777 120.516 121.223 0.118 0.000 2.141 232 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 232 L C 2.186 179.109 176.870 0.088 0.000 1.094 232 L CA 1.760 56.654 54.840 0.090 0.000 0.763 232 L CB -0.634 41.469 42.059 0.073 0.000 0.908 232 L HN 0.378 nan 8.230 nan 0.000 0.437 233 L N -0.116 121.170 121.223 0.104 0.000 2.046 233 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 233 L C 2.478 179.403 176.870 0.092 0.000 1.077 233 L CA 2.052 56.944 54.840 0.088 0.000 0.747 233 L CB -0.983 41.137 42.059 0.102 0.000 0.896 233 L HN 0.253 nan 8.230 nan 0.000 0.432 234 A N -0.831 122.077 122.820 0.146 0.000 1.933 234 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 234 A C 2.140 179.743 177.584 0.032 0.000 1.175 234 A CA 1.780 53.870 52.037 0.088 0.000 0.628 234 A CB -0.597 18.482 19.000 0.130 0.000 0.814 234 A HN 0.641 nan 8.150 nan 0.000 0.444 235 E N -1.104 119.129 120.200 0.055 0.000 2.274 235 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 235 E C 1.640 178.249 176.600 0.016 0.000 0.996 235 E CA 0.924 57.341 56.400 0.027 0.000 0.840 235 E CB -0.229 29.494 29.700 0.039 0.000 0.772 235 E HN 0.683 nan 8.360 nan 0.000 0.491 236 C N 0.066 119.379 119.300 0.022 0.000 2.634 236 C HA 0.154 4.614 4.460 -0.000 0.000 0.268 236 C C 1.801 176.792 174.990 0.002 0.000 1.322 236 C CA 0.052 59.077 59.018 0.010 0.000 1.737 236 C CB -0.230 27.516 27.740 0.010 0.000 1.976 236 C HN 0.327 nan 8.230 nan 0.000 0.547 237 L N -0.318 120.907 121.223 0.002 0.000 3.122 237 L HA 0.284 4.624 4.340 -0.000 0.000 0.274 237 L C 0.506 177.364 176.870 -0.020 0.000 1.222 237 L CA -0.041 54.795 54.840 -0.006 0.000 1.028 237 L CB -0.247 41.813 42.059 0.002 0.000 1.386 237 L HN 0.218 nan 8.230 nan 0.000 0.578 238 R N 0.704 121.187 120.500 -0.027 0.000 3.422 238 R HA -0.148 4.192 4.340 -0.000 0.000 0.267 238 R C 0.725 176.980 176.300 -0.076 0.000 1.074 238 R CA 0.420 56.492 56.100 -0.047 0.000 0.718 238 R CB -1.873 28.405 30.300 -0.036 0.000 1.157 238 R HN 0.504 nan 8.270 nan 0.000 0.440 239 G N 0.627 109.371 108.800 -0.094 0.000 2.554 239 G HA2 0.158 4.118 3.960 -0.000 0.000 0.238 239 G HA3 0.158 4.118 3.960 -0.000 0.000 0.238 239 G C 0.034 174.777 174.900 -0.261 0.000 1.259 239 G CA -0.483 44.520 45.100 -0.162 0.000 0.843 239 G HN 0.223 nan 8.290 nan 0.000 0.582 240 R N 0.313 120.631 120.500 -0.303 0.000 2.254 240 R HA 0.256 4.596 4.340 -0.000 0.000 0.318 240 R C 1.510 177.477 176.300 -0.555 0.000 1.031 240 R CA 0.202 56.109 56.100 -0.321 0.000 0.905 240 R CB 0.920 31.098 30.300 -0.203 0.000 1.050 240 R HN 0.691 nan 8.270 nan 0.000 0.456 241 T N -1.402 112.875 114.554 -0.463 0.000 3.088 241 T HA -0.102 4.248 4.350 -0.000 0.000 0.259 241 T C 1.364 175.903 174.700 -0.268 0.000 1.122 241 T CA 0.656 62.462 62.100 -0.490 0.000 1.095 241 T CB -0.021 68.710 68.868 -0.227 0.000 0.930 241 T HN 0.744 nan 8.240 nan 0.000 0.508 242 E N 1.784 121.869 120.200 -0.192 0.000 2.268 242 E HA 0.023 4.372 4.350 -0.000 0.000 0.195 242 E C 2.216 178.784 176.600 -0.054 0.000 0.995 242 E CA 0.843 57.194 56.400 -0.081 0.000 0.836 242 E CB -0.530 29.139 29.700 -0.052 0.000 0.763 242 E HN 0.586 nan 8.360 nan 0.000 0.491 243 A N 0.879 123.620 122.820 -0.133 0.000 2.067 243 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 243 A C 1.035 178.751 177.584 0.221 0.000 1.158 243 A CA 0.714 52.743 52.037 -0.013 0.000 0.661 243 A CB -0.623 18.336 19.000 -0.069 0.000 0.801 243 A HN 0.493 nan 8.150 nan 0.000 0.452 244 W N -0.243 121.055 121.300 -0.004 0.000 3.330 244 W HA 0.602 5.262 4.660 -0.000 0.000 0.348 244 W C 0.846 177.366 176.519 0.002 0.000 1.205 244 W CA -1.073 56.272 57.345 -0.001 0.000 1.841 244 W CB -1.367 28.095 29.460 0.003 0.000 1.084 244 W HN 0.344 nan 8.180 nan 0.000 0.665 245 A N 0.865 123.792 122.820 0.180 0.000 2.498 245 A HA 0.425 4.745 4.320 -0.000 0.000 0.239 245 A C 1.705 179.343 177.584 0.090 0.000 1.068 245 A CA 0.687 52.789 52.037 0.108 0.000 0.766 245 A CB 0.559 19.596 19.000 0.061 0.000 1.003 245 A HN 0.253 nan 8.150 nan 0.000 0.497 246 A N 2.504 125.367 122.820 0.070 0.000 1.940 246 A HA 0.097 4.416 4.320 -0.000 0.000 0.219 246 A C 2.385 179.993 177.584 0.039 0.000 1.176 246 A CA 2.334 54.402 52.037 0.051 0.000 0.631 246 A CB -1.017 18.007 19.000 0.040 0.000 0.814 246 A HN 1.796 nan 8.150 nan 0.000 0.446 247 A N -0.246 122.595 122.820 0.034 0.000 1.948 247 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 247 A C 2.149 179.746 177.584 0.022 0.000 1.177 247 A CA 1.628 53.679 52.037 0.023 0.000 0.636 247 A CB -0.582 18.430 19.000 0.020 0.000 0.815 247 A HN 0.504 nan 8.150 nan 0.000 0.449 248 L N -0.660 120.582 121.223 0.033 0.000 2.093 248 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 248 L C 2.820 179.705 176.870 0.026 0.000 1.085 248 L CA 1.321 56.179 54.840 0.030 0.000 0.755 248 L CB -0.362 41.724 42.059 0.046 0.000 0.904 248 L HN 0.345 nan 8.230 nan 0.000 0.435 249 S N -0.335 115.385 115.700 0.033 0.000 2.368 249 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 249 S C 1.487 176.091 174.600 0.008 0.000 1.030 249 S CA 1.281 59.497 58.200 0.027 0.000 0.999 249 S CB -0.252 62.968 63.200 0.034 0.000 0.844 249 S HN 0.442 nan 8.310 nan 0.000 0.459 250 D N 1.432 121.836 120.400 0.007 0.000 2.178 250 D HA -0.016 4.624 4.640 -0.000 0.000 0.201 250 D C 1.744 178.033 176.300 -0.018 0.000 0.980 250 D CA 0.664 54.661 54.000 -0.005 0.000 0.842 250 D CB -0.259 40.541 40.800 0.000 0.000 0.948 250 D HN 0.327 nan 8.370 nan 0.000 0.472 251 L N -0.509 120.705 121.223 -0.014 0.000 2.217 251 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 251 L C 1.603 178.448 176.870 -0.042 0.000 1.107 251 L CA 0.564 55.391 54.840 -0.022 0.000 0.783 251 L CB 0.153 42.206 42.059 -0.011 0.000 0.919 251 L HN -0.171 nan 8.230 nan 0.000 0.442 252 R N 0.796 121.268 120.500 -0.047 0.000 2.629 252 R HA 0.190 4.530 4.340 -0.000 0.000 0.277 252 R C -2.190 174.036 176.300 -0.124 0.000 1.637 252 R CA -1.424 54.621 56.100 -0.091 0.000 1.663 252 R CB 0.835 31.121 30.300 -0.024 0.000 1.228 252 R HN -0.132 nan 8.270 nan 0.000 0.632 253 P HA -0.086 nan 4.420 nan 0.000 0.297 253 P C -0.707 176.524 177.300 -0.116 0.000 1.544 253 P CA 0.256 63.291 63.100 -0.109 0.000 0.798 253 P CB -0.352 31.296 31.700 -0.086 0.000 1.757 254 H N 0.894 119.964 119.070 0.001 0.000 2.767 254 H HA 0.101 4.657 4.556 -0.000 0.000 0.316 254 H C -1.313 174.026 175.328 0.019 0.000 1.059 254 H CA -1.582 54.468 56.048 0.004 0.000 1.461 254 H CB 0.571 30.330 29.762 -0.005 0.000 1.475 254 H HN 0.092 nan 8.280 nan 0.000 0.531 255 P HA -0.162 nan 4.420 nan 0.000 0.215 255 P C 1.648 179.022 177.300 0.123 0.000 1.157 255 P CA 1.722 64.885 63.100 0.105 0.000 0.874 255 P CB 0.111 31.866 31.700 0.092 0.000 0.790 256 G N -0.460 108.429 108.800 0.148 0.000 2.422 256 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 256 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 256 G C 1.671 176.663 174.900 0.154 0.000 1.146 256 G CA 0.739 45.956 45.100 0.196 0.000 0.769 256 G HN 0.333 nan 8.290 nan 0.000 0.547 257 Q N 0.103 119.960 119.800 0.094 0.000 2.083 257 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 257 Q C 2.466 178.495 176.000 0.049 0.000 0.969 257 Q CA 1.468 57.297 55.803 0.043 0.000 0.838 257 Q CB -0.201 28.579 28.738 0.069 0.000 0.900 257 Q HN 0.507 nan 8.270 nan 0.000 0.436 258 K N 0.185 120.626 120.400 0.069 0.000 2.063 258 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 258 K C 1.657 178.288 176.600 0.052 0.000 1.048 258 K CA 1.895 58.213 56.287 0.051 0.000 0.928 258 K CB -0.165 32.363 32.500 0.047 0.000 0.713 258 K HN 0.196 nan 8.250 nan 0.000 0.442 259 D N -0.112 120.335 120.400 0.079 0.000 2.097 259 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 259 D C 1.723 178.083 176.300 0.100 0.000 0.984 259 D CA 1.539 55.588 54.000 0.082 0.000 0.826 259 D CB -0.078 40.783 40.800 0.102 0.000 0.973 259 D HN 0.323 nan 8.370 nan 0.000 0.460 260 A N 0.622 123.534 122.820 0.154 0.000 1.877 260 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 260 A C 2.412 179.952 177.584 -0.073 0.000 1.186 260 A CA 2.456 54.553 52.037 0.100 0.000 0.620 260 A CB -1.225 17.743 19.000 -0.053 0.000 0.822 260 A HN 0.328 nan 8.150 nan 0.000 0.443 261 A N -0.205 122.569 122.820 -0.076 0.000 1.908 261 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 261 A C 2.521 180.084 177.584 -0.035 0.000 1.181 261 A CA 2.290 54.272 52.037 -0.093 0.000 0.627 261 A CB -1.059 17.943 19.000 0.003 0.000 0.818 261 A HN 1.097 nan 8.150 nan 0.000 0.445 262 A N -0.263 122.557 122.820 0.000 0.000 1.877 262 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 262 A C 2.235 179.816 177.584 -0.005 0.000 1.186 262 A CA 1.642 53.687 52.037 0.014 0.000 0.620 262 A CB -0.452 18.558 19.000 0.017 0.000 0.822 262 A HN 0.540 nan 8.150 nan 0.000 0.443 263 R N -0.602 119.884 120.500 -0.023 0.000 2.096 263 R HA 0.015 4.355 4.340 -0.000 0.000 0.235 263 R C 2.027 178.282 176.300 -0.074 0.000 1.127 263 R CA 1.256 57.332 56.100 -0.040 0.000 0.968 263 R CB -0.441 29.843 30.300 -0.027 0.000 0.861 263 R HN 0.510 nan 8.270 nan 0.000 0.440 264 L N 0.092 121.219 121.223 -0.158 0.000 2.056 264 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 264 L C 2.526 179.397 176.870 0.002 0.000 1.078 264 L CA 1.384 56.051 54.840 -0.289 0.000 0.749 264 L CB -0.325 41.196 42.059 -0.897 0.000 0.901 264 L HN 0.153 nan 8.230 nan 0.000 0.433 265 R N -0.150 120.404 120.500 0.092 0.000 2.081 265 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 265 R C 2.379 178.740 176.300 0.103 0.000 1.131 265 R CA 1.385 57.593 56.100 0.179 0.000 0.960 265 R CB -0.497 29.887 30.300 0.141 0.000 0.856 265 R HN 0.362 nan 8.270 nan 0.000 0.436 266 A N 1.205 124.054 122.820 0.048 0.000 1.930 266 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 266 A C 2.028 179.627 177.584 0.024 0.000 1.175 266 A CA 1.006 53.058 52.037 0.026 0.000 0.627 266 A CB -0.236 18.764 19.000 0.001 0.000 0.815 266 A HN 0.091 nan 8.150 nan 0.000 0.443 267 R N -0.146 120.366 120.500 0.020 0.000 2.105 267 R HA -0.117 4.223 4.340 -0.000 0.000 0.239 267 R C 1.877 178.211 176.300 0.056 0.000 1.135 267 R CA 1.750 57.861 56.100 0.018 0.000 0.967 267 R CB -1.285 29.016 30.300 0.001 0.000 0.861 267 R HN 0.665 nan 8.270 nan 0.000 0.442 268 V N -1.044 118.934 119.914 0.107 0.000 3.596 268 V HA 0.130 4.250 4.120 -0.000 0.000 0.289 268 V C 0.252 176.386 176.094 0.067 0.000 1.336 268 V CA -0.658 61.708 62.300 0.109 0.000 1.137 268 V CB -0.365 31.565 31.823 0.179 0.000 0.966 268 V HN -0.116 nan 8.190 nan 0.000 0.428 269 D N 1.611 122.043 120.400 0.054 0.000 2.458 269 D HA 0.406 5.046 4.640 -0.000 0.000 0.243 269 D C 1.475 177.788 176.300 0.022 0.000 1.146 269 D CA 1.871 55.892 54.000 0.034 0.000 0.877 269 D CB 0.745 41.561 40.800 0.028 0.000 1.176 269 D HN 0.557 nan 8.370 nan 0.000 0.461 270 G N 2.338 111.146 108.800 0.013 0.000 2.176 270 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.253 270 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.253 270 G C 0.496 175.399 174.900 0.005 0.000 0.979 270 G CA 0.495 45.599 45.100 0.007 0.000 0.641 270 G HN 0.800 nan 8.290 nan 0.000 0.530 271 S N -0.041 115.664 115.700 0.008 0.000 2.580 271 S HA 0.678 5.148 4.470 -0.000 0.000 0.274 271 S C 1.199 175.791 174.600 -0.013 0.000 1.329 271 S CA 0.774 58.976 58.200 0.003 0.000 1.036 271 S CB 1.383 64.590 63.200 0.013 0.000 0.919 271 S HN 1.645 nan 8.310 nan 0.000 0.515 272 A N 4.602 127.413 122.820 -0.015 0.000 2.545 272 A HA 0.356 4.676 4.320 -0.000 0.000 0.263 272 A C 1.628 179.194 177.584 -0.031 0.000 1.202 272 A CA -0.390 51.631 52.037 -0.026 0.000 0.959 272 A CB 0.145 19.135 19.000 -0.016 0.000 1.124 272 A HN 0.715 nan 8.150 nan 0.000 0.543 273 R N -0.035 120.450 120.500 -0.025 0.000 2.290 273 R HA 0.118 4.458 4.340 -0.000 0.000 0.197 273 R C 0.683 176.956 176.300 -0.044 0.000 0.913 273 R CA 0.888 56.973 56.100 -0.026 0.000 1.040 273 R CB -0.188 30.106 30.300 -0.009 0.000 0.992 273 R HN 0.494 nan 8.270 nan 0.000 0.500 274 V N -1.394 118.484 119.914 -0.061 0.000 2.973 274 V HA 0.459 4.579 4.120 -0.000 0.000 0.314 274 V C 0.489 176.503 176.094 -0.133 0.000 1.066 274 V CA -0.963 61.277 62.300 -0.099 0.000 1.021 274 V CB 2.031 33.787 31.823 -0.111 0.000 1.076 274 V HN -0.271 nan 8.190 nan 0.000 0.462 275 V N 3.827 123.646 119.914 -0.159 0.000 2.383 275 V HA 0.447 4.567 4.120 -0.000 0.000 0.275 275 V C 1.020 176.986 176.094 -0.213 0.000 1.036 275 V CA -0.241 61.950 62.300 -0.182 0.000 0.889 275 V CB 0.733 32.484 31.823 -0.119 0.000 0.985 275 V HN 0.937 nan 8.190 nan 0.000 0.459 276 R N 1.586 121.914 120.500 -0.287 0.000 2.365 276 R HA 0.223 4.563 4.340 -0.000 0.000 0.223 276 R C 0.077 176.291 176.300 -0.143 0.000 0.899 276 R CA -0.187 55.787 56.100 -0.210 0.000 1.059 276 R CB 0.227 30.418 30.300 -0.183 0.000 1.086 276 R HN 0.754 nan 8.270 nan 0.000 0.522 277 H N 0.175 119.217 119.070 -0.046 0.000 2.815 277 H HA 0.079 4.635 4.556 -0.000 0.000 0.350 277 H C -0.220 175.084 175.328 -0.039 0.000 1.080 277 H CA -0.429 55.598 56.048 -0.036 0.000 1.433 277 H CB 1.138 30.881 29.762 -0.032 0.000 1.432 277 H HN -0.187 nan 8.280 nan 0.000 0.592 278 V N 5.749 125.726 119.914 0.105 0.000 2.406 278 V HA -0.046 4.074 4.120 -0.000 0.000 0.272 278 V C 1.687 177.801 176.094 0.033 0.000 1.043 278 V CA 0.015 62.340 62.300 0.041 0.000 0.915 278 V CB 0.329 32.168 31.823 0.027 0.000 0.988 278 V HN 0.749 nan 8.190 nan 0.000 0.466 279 I N 3.052 123.633 120.570 0.019 0.000 2.454 279 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 279 I C 2.049 178.164 176.117 -0.004 0.000 1.156 279 I CA 1.881 63.184 61.300 0.006 0.000 1.433 279 I CB -0.227 37.775 38.000 0.002 0.000 1.082 279 I HN 0.563 nan 8.210 nan 0.000 0.432 280 A N 0.963 123.782 122.820 -0.001 0.000 2.168 280 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 280 A C 2.129 179.708 177.584 -0.008 0.000 1.152 280 A CA 0.908 52.943 52.037 -0.004 0.000 0.716 280 A CB -0.470 18.530 19.000 -0.001 0.000 0.794 280 A HN 0.481 nan 8.150 nan 0.000 0.465 281 E N 0.133 120.327 120.200 -0.009 0.000 2.208 281 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 281 E C 1.162 177.745 176.600 -0.028 0.000 0.988 281 E CA 0.250 56.641 56.400 -0.016 0.000 0.828 281 E CB -0.224 29.466 29.700 -0.015 0.000 0.763 281 E HN 0.631 nan 8.360 nan 0.000 0.478 282 R N 1.687 122.166 120.500 -0.034 0.000 2.442 282 R HA 0.074 4.414 4.340 -0.000 0.000 0.291 282 R C -0.341 175.943 176.300 -0.027 0.000 1.069 282 R CA 0.027 56.102 56.100 -0.040 0.000 1.022 282 R CB 0.441 30.713 30.300 -0.046 0.000 0.976 282 R HN -0.123 nan 8.270 nan 0.000 0.443 283 R N 5.018 125.502 120.500 -0.027 0.000 2.294 283 R HA 0.307 4.647 4.340 -0.000 0.000 0.319 283 R C -0.488 175.801 176.300 -0.019 0.000 0.984 283 R CA -0.661 55.427 56.100 -0.019 0.000 0.861 283 R CB 1.273 31.562 30.300 -0.017 0.000 1.104 283 R HN 0.480 nan 8.270 nan 0.000 0.451 284 L N 2.627 123.841 121.223 -0.015 0.000 2.350 284 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 284 L C 0.174 177.037 176.870 -0.012 0.000 1.099 284 L CA -0.394 54.438 54.840 -0.014 0.000 0.808 284 L CB 0.866 42.918 42.059 -0.011 0.000 1.149 284 L HN 0.446 nan 8.230 nan 0.000 0.442 285 D N 0.534 120.927 120.400 -0.012 0.000 2.340 285 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 285 D C 0.612 176.907 176.300 -0.008 0.000 0.988 285 D CA -0.379 53.615 54.000 -0.010 0.000 0.959 285 D CB 2.111 42.904 40.800 -0.011 0.000 1.226 285 D HN 0.559 nan 8.370 nan 0.000 0.509 286 A N 1.062 123.878 122.820 -0.007 0.000 1.917 286 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 286 A C 1.956 179.536 177.584 -0.006 0.000 1.182 286 A CA 2.317 54.350 52.037 -0.006 0.000 0.633 286 A CB -1.081 17.916 19.000 -0.005 0.000 0.819 286 A HN 0.654 nan 8.150 nan 0.000 0.448 287 G N -0.593 108.203 108.800 -0.007 0.000 2.470 287 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 287 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 287 G C 1.010 175.905 174.900 -0.007 0.000 1.121 287 G CA 1.117 46.213 45.100 -0.007 0.000 0.766 287 G HN 0.544 nan 8.290 nan 0.000 0.553 288 D N 0.393 120.788 120.400 -0.008 0.000 2.277 288 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 288 D C 1.113 177.409 176.300 -0.008 0.000 0.962 288 D CA 0.068 54.063 54.000 -0.009 0.000 0.865 288 D CB 0.238 41.031 40.800 -0.011 0.000 0.939 288 D HN 0.140 nan 8.370 nan 0.000 0.510 289 I N 1.530 122.096 120.570 -0.007 0.000 2.752 289 I HA 0.224 4.394 4.170 -0.000 0.000 0.286 289 I C 1.388 177.502 176.117 -0.005 0.000 1.180 289 I CA 0.899 62.195 61.300 -0.005 0.000 1.404 289 I CB -0.225 37.772 38.000 -0.005 0.000 1.389 289 I HN 0.003 nan 8.210 nan 0.000 0.549 290 G N 5.588 114.385 108.800 -0.004 0.000 2.367 290 G HA2 0.161 4.121 3.960 -0.000 0.000 0.272 290 G HA3 0.161 4.121 3.960 -0.000 0.000 0.272 290 G C -1.136 173.762 174.900 -0.004 0.000 1.271 290 G CA -0.653 44.444 45.100 -0.004 0.000 0.893 290 G HN 0.372 nan 8.290 nan 0.000 0.485 291 T N 2.060 116.612 114.554 -0.004 0.000 2.743 291 T HA 0.546 4.896 4.350 -0.000 0.000 0.292 291 T C -0.106 174.591 174.700 -0.004 0.000 0.972 291 T CA -0.207 61.891 62.100 -0.004 0.000 0.967 291 T CB 1.240 70.105 68.868 -0.004 0.000 0.926 291 T HN 0.436 nan 8.240 nan 0.000 0.459 292 E N 3.227 123.424 120.200 -0.004 0.000 2.314 292 E HA 0.191 4.541 4.350 -0.000 0.000 0.262 292 E C -1.269 175.329 176.600 -0.004 0.000 1.093 292 E CA -1.983 54.414 56.400 -0.005 0.000 0.908 292 E CB 0.623 30.320 29.700 -0.005 0.000 1.091 292 E HN 0.325 nan 8.360 nan 0.000 0.425 293 P HA -0.143 nan 4.420 nan 0.000 0.215 293 P C -0.545 176.752 177.300 -0.005 0.000 1.153 293 P CA 1.429 64.526 63.100 -0.005 0.000 0.853 293 P CB 0.300 31.997 31.700 -0.004 0.000 0.788 294 E N -1.366 118.831 120.200 -0.005 0.000 2.343 294 E HA 0.598 4.948 4.350 -0.000 0.000 0.270 294 E C -0.937 175.661 176.600 -0.003 0.000 0.895 294 E CA -1.148 55.249 56.400 -0.005 0.000 0.767 294 E CB 2.119 31.816 29.700 -0.006 0.000 1.248 294 E HN -0.086 nan 8.360 nan 0.000 0.440 295 A N 0.780 123.599 122.820 -0.002 0.000 2.366 295 A HA 0.416 4.736 4.320 -0.000 0.000 0.249 295 A C 1.193 178.777 177.584 0.001 0.000 1.084 295 A CA 0.320 52.357 52.037 0.001 0.000 0.794 295 A CB 0.152 19.154 19.000 0.005 0.000 1.034 295 A HN 0.800 nan 8.150 nan 0.000 0.491 296 G N -0.426 108.376 108.800 0.003 0.000 2.776 296 G HA2 0.239 4.199 3.960 -0.000 0.000 0.209 296 G HA3 0.239 4.199 3.960 -0.000 0.000 0.209 296 G C 0.481 175.380 174.900 -0.002 0.000 1.145 296 G CA 0.423 45.523 45.100 0.001 0.000 0.791 296 G HN 0.726 nan 8.290 nan 0.000 0.530 297 Q N 0.054 119.858 119.800 0.007 0.000 2.423 297 Q HA 0.317 4.657 4.340 -0.000 0.000 0.278 297 Q C -1.426 174.587 176.000 0.022 0.000 1.097 297 Q CA -1.025 54.786 55.803 0.012 0.000 0.809 297 Q CB 2.067 30.828 28.738 0.037 0.000 1.391 297 Q HN 0.031 nan 8.270 nan 0.000 0.428 298 D N 0.645 121.058 120.400 0.020 0.000 2.383 298 D HA 0.379 5.019 4.640 -0.000 0.000 0.248 298 D C -0.180 176.183 176.300 0.104 0.000 1.170 298 D CA -0.127 53.895 54.000 0.036 0.000 0.977 298 D CB 0.877 41.684 40.800 0.013 0.000 1.120 298 D HN 0.624 nan 8.370 nan 0.000 0.481 299 A N 0.406 123.281 122.820 0.092 0.000 2.386 299 A HA 0.008 4.328 4.320 -0.000 0.000 0.246 299 A C 0.621 178.366 177.584 0.269 0.000 1.089 299 A CA -0.062 52.043 52.037 0.113 0.000 0.790 299 A CB -0.088 18.933 19.000 0.035 0.000 1.042 299 A HN 0.540 nan 8.150 nan 0.000 0.497 300 Y N 0.901 121.219 120.300 0.030 0.000 2.256 300 Y HA -0.196 4.354 4.550 -0.000 0.000 0.288 300 Y C 2.936 178.870 175.900 0.056 0.000 1.155 300 Y CA 1.573 59.697 58.100 0.040 0.000 1.203 300 Y CB -1.326 37.149 38.460 0.024 0.000 0.980 300 Y HN 0.749 nan 8.280 nan 0.000 0.530 301 S N -1.028 114.801 115.700 0.214 0.000 2.493 301 S HA -0.116 4.354 4.470 -0.000 0.000 0.243 301 S C 1.753 176.455 174.600 0.169 0.000 0.991 301 S CA 1.149 59.438 58.200 0.149 0.000 0.957 301 S CB -0.555 62.709 63.200 0.105 0.000 0.756 301 S HN 0.472 nan 8.310 nan 0.000 0.521 302 L N -0.440 120.905 121.223 0.203 0.000 2.588 302 L HA 0.362 4.702 4.340 -0.000 0.000 0.194 302 L C 2.730 179.816 176.870 0.361 0.000 1.070 302 L CA 0.221 55.231 54.840 0.283 0.000 0.852 302 L CB -0.216 41.955 42.059 0.186 0.000 1.199 302 L HN 0.169 nan 8.230 nan 0.000 0.486 303 R N -0.022 120.610 120.500 0.220 0.000 2.096 303 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 303 R C 1.413 177.806 176.300 0.156 0.000 1.127 303 R CA 1.783 57.984 56.100 0.169 0.000 0.968 303 R CB -0.180 30.175 30.300 0.093 0.000 0.861 303 R HN 0.394 nan 8.270 nan 0.000 0.440 304 C N 0.278 119.626 119.300 0.080 0.000 2.589 304 C HA 0.451 4.911 4.460 -0.000 0.000 0.307 304 C C 1.971 176.965 174.990 0.006 0.000 1.328 304 C CA -0.428 58.578 59.018 -0.020 0.000 1.742 304 C CB -0.384 27.252 27.740 -0.173 0.000 2.037 304 C HN 0.612 nan 8.230 nan 0.000 0.592 305 A N 2.562 125.424 122.820 0.069 0.000 1.902 305 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 305 A C -0.014 177.471 177.584 -0.164 0.000 1.181 305 A CA 1.659 53.669 52.037 -0.044 0.000 0.623 305 A CB -1.429 17.541 19.000 -0.050 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.443 306 P HA -0.141 nan 4.420 nan 0.000 0.217 306 P C 1.244 178.459 177.300 -0.140 0.000 1.150 306 P CA 1.393 64.388 63.100 -0.177 0.000 0.832 306 P CB -0.012 31.633 31.700 -0.092 0.000 0.787 307 Q N -0.978 118.763 119.800 -0.099 0.000 2.083 307 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 307 Q C 2.140 178.054 176.000 -0.144 0.000 0.969 307 Q CA 1.213 56.958 55.803 -0.097 0.000 0.838 307 Q CB -1.379 27.313 28.738 -0.077 0.000 0.900 307 Q HN 0.083 nan 8.270 nan 0.000 0.436 308 V N 0.358 120.184 119.914 -0.146 0.000 2.283 308 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 308 V C 2.098 178.036 176.094 -0.258 0.000 1.039 308 V CA 1.434 63.637 62.300 -0.162 0.000 1.016 308 V CB -0.583 31.174 31.823 -0.109 0.000 0.650 308 V HN 0.301 nan 8.190 nan 0.000 0.449 309 L N 0.556 121.575 121.223 -0.340 0.000 2.046 309 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 309 L C 2.644 178.967 176.870 -0.912 0.000 1.077 309 L CA 1.759 56.208 54.840 -0.653 0.000 0.747 309 L CB -1.152 40.513 42.059 -0.657 0.000 0.896 309 L HN 0.487 nan 8.230 nan 0.000 0.432 310 G N -0.480 108.011 108.800 -0.515 0.000 2.422 310 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 310 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 310 G C 1.761 176.553 174.900 -0.180 0.000 1.146 310 G CA 0.774 45.703 45.100 -0.284 0.000 0.769 310 G HN 0.468 nan 8.290 nan 0.000 0.547 311 A N 0.775 123.469 122.820 -0.210 0.000 1.930 311 A HA 0.208 4.528 4.320 -0.000 0.000 0.217 311 A C 2.661 180.180 177.584 -0.107 0.000 1.175 311 A CA 1.950 53.885 52.037 -0.169 0.000 0.627 311 A CB -0.858 18.035 19.000 -0.179 0.000 0.815 311 A HN 0.475 nan 8.150 nan 0.000 0.443 312 G N -1.110 107.596 108.800 -0.156 0.000 2.402 312 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 312 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 312 G C 1.271 176.264 174.900 0.156 0.000 1.162 312 G CA 0.964 46.026 45.100 -0.064 0.000 0.777 312 G HN 0.376 nan 8.290 nan 0.000 0.539 313 F N 1.714 121.667 119.950 0.005 0.000 2.186 313 F HA 0.050 4.577 4.527 -0.000 0.000 0.299 313 F C 2.253 178.077 175.800 0.039 0.000 1.090 313 F CA 0.295 58.311 58.000 0.026 0.000 1.307 313 F CB -0.578 38.432 39.000 0.016 0.000 1.019 313 F HN 0.119 nan 8.300 nan 0.000 0.489 314 D N -0.638 119.887 120.400 0.208 0.000 2.224 314 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 314 D C 2.163 178.568 176.300 0.175 0.000 0.965 314 D CA 1.262 55.351 54.000 0.148 0.000 0.852 314 D CB -0.270 40.566 40.800 0.059 0.000 0.947 314 D HN 0.204 nan 8.370 nan 0.000 0.494 315 T N 1.042 115.693 114.554 0.163 0.000 2.857 315 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 315 T C 1.882 176.746 174.700 0.273 0.000 1.048 315 T CA 0.269 62.504 62.100 0.225 0.000 1.139 315 T CB -0.077 68.876 68.868 0.143 0.000 0.874 315 T HN 0.041 nan 8.240 nan 0.000 0.455 316 L N 1.518 122.861 121.223 0.201 0.000 2.093 316 L HA 0.196 4.536 4.340 -0.000 0.000 0.208 316 L C 2.545 179.531 176.870 0.192 0.000 1.085 316 L CA 1.544 56.477 54.840 0.154 0.000 0.755 316 L CB -0.932 41.196 42.059 0.116 0.000 0.904 316 L HN 0.199 nan 8.230 nan 0.000 0.435 317 A N -1.133 121.803 122.820 0.193 0.000 1.902 317 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 317 A C 2.113 179.834 177.584 0.229 0.000 1.181 317 A CA 1.705 53.846 52.037 0.173 0.000 0.623 317 A CB -1.376 17.718 19.000 0.156 0.000 0.818 317 A HN 0.738 nan 8.150 nan 0.000 0.443 318 W N 0.323 121.681 121.300 0.096 0.000 2.379 318 W HA -0.166 4.494 4.660 -0.000 0.000 0.307 318 W C 2.256 178.841 176.519 0.110 0.000 1.200 318 W CA 1.877 59.273 57.345 0.087 0.000 1.297 318 W CB -0.765 28.739 29.460 0.074 0.000 1.140 318 W HN 0.622 nan 8.180 nan 0.000 0.507 319 H N 0.194 119.200 119.070 -0.108 0.000 2.319 319 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 319 H C 1.330 176.539 175.328 -0.199 0.000 1.097 319 H CA 2.417 58.291 56.048 -0.289 0.000 1.285 319 H CB -0.547 29.160 29.762 -0.092 0.000 1.368 319 H HN 0.069 nan 8.280 nan 0.000 0.495 320 D N 0.222 120.671 120.400 0.080 0.000 2.178 320 D HA -0.067 4.573 4.640 -0.000 0.000 0.202 320 D C 2.595 178.865 176.300 -0.051 0.000 0.974 320 D CA 0.552 54.569 54.000 0.030 0.000 0.841 320 D CB -0.206 40.654 40.800 0.100 0.000 0.953 320 D HN 0.390 nan 8.370 nan 0.000 0.478 321 R N 0.247 120.725 120.500 -0.036 0.000 2.066 321 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 321 R C 2.311 178.555 176.300 -0.094 0.000 1.131 321 R CA 0.704 56.793 56.100 -0.018 0.000 0.955 321 R CB -0.387 29.950 30.300 0.063 0.000 0.851 321 R HN 0.093 nan 8.270 nan 0.000 0.432 322 V N 1.386 121.164 119.914 -0.228 0.000 2.358 322 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 322 V C 2.208 178.155 176.094 -0.245 0.000 1.047 322 V CA 1.383 63.527 62.300 -0.260 0.000 1.035 322 V CB -0.422 31.123 31.823 -0.464 0.000 0.658 322 V HN 0.232 nan 8.190 nan 0.000 0.452 323 L N 0.021 121.055 121.223 -0.315 0.000 2.083 323 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 323 L C 2.434 179.216 176.870 -0.147 0.000 1.083 323 L CA 2.337 57.016 54.840 -0.267 0.000 0.752 323 L CB -0.991 40.857 42.059 -0.351 0.000 0.899 323 L HN 0.333 nan 8.230 nan 0.000 0.433 324 T N -0.160 114.333 114.554 -0.101 0.000 2.788 324 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 324 T C 1.968 176.652 174.700 -0.027 0.000 1.044 324 T CA 1.946 64.020 62.100 -0.042 0.000 1.139 324 T CB -0.275 68.609 68.868 0.026 0.000 0.867 324 T HN 0.320 nan 8.240 nan 0.000 0.454 325 I N 0.623 121.164 120.570 -0.048 0.000 2.252 325 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 325 I C 2.714 178.779 176.117 -0.086 0.000 1.102 325 I CA 1.217 62.486 61.300 -0.052 0.000 1.385 325 I CB -0.282 37.666 38.000 -0.086 0.000 1.064 325 I HN 0.202 nan 8.210 nan 0.000 0.414 326 E N 1.346 121.473 120.200 -0.121 0.000 2.051 326 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 326 E C 2.040 178.588 176.600 -0.086 0.000 0.991 326 E CA 1.306 57.635 56.400 -0.118 0.000 0.799 326 E CB -0.280 29.344 29.700 -0.127 0.000 0.748 326 E HN 0.299 nan 8.360 nan 0.000 0.449 327 L N 0.990 122.162 121.223 -0.085 0.000 2.079 327 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 327 L C 1.213 178.038 176.870 -0.075 0.000 1.081 327 L CA 1.830 56.623 54.840 -0.079 0.000 0.752 327 L CB -0.451 41.554 42.059 -0.090 0.000 0.896 327 L HN 0.148 nan 8.230 nan 0.000 0.433 328 N N -0.071 118.588 118.700 -0.068 0.000 2.314 328 N HA 0.191 4.931 4.740 -0.000 0.000 0.200 328 N C 0.299 175.796 175.510 -0.021 0.000 1.135 328 N CA 0.632 53.657 53.050 -0.042 0.000 0.835 328 N CB 0.205 38.697 38.487 0.008 0.000 0.989 328 N HN 0.436 nan 8.380 nan 0.000 0.478 329 A N 0.145 122.940 122.820 -0.040 0.000 2.261 329 A HA 0.604 4.924 4.320 -0.000 0.000 0.323 329 A C -0.060 177.502 177.584 -0.037 0.000 1.107 329 A CA -0.407 51.604 52.037 -0.043 0.000 0.883 329 A CB 1.074 20.032 19.000 -0.071 0.000 1.251 329 A HN -0.042 nan 8.150 nan 0.000 0.502 330 V N 1.184 121.076 119.914 -0.037 0.000 2.328 330 V HA 0.313 4.433 4.120 -0.000 0.000 0.278 330 V C 0.822 176.894 176.094 -0.037 0.000 1.021 330 V CA 0.375 62.658 62.300 -0.028 0.000 0.838 330 V CB 0.728 32.537 31.823 -0.024 0.000 0.999 330 V HN 1.034 nan 8.190 nan 0.000 0.447 331 T N -0.695 113.847 114.554 -0.021 0.000 3.186 331 T HA 0.202 4.552 4.350 -0.000 0.000 0.257 331 T C 0.160 174.882 174.700 0.037 0.000 1.029 331 T CA -0.531 61.562 62.100 -0.011 0.000 0.916 331 T CB -0.329 68.542 68.868 0.005 0.000 1.041 331 T HN 0.538 nan 8.240 nan 0.000 0.562 332 D N 2.573 122.986 120.400 0.022 0.000 2.357 332 D HA 0.482 5.122 4.640 -0.000 0.000 0.242 332 D C -0.083 176.237 176.300 0.033 0.000 1.153 332 D CA 0.097 54.123 54.000 0.044 0.000 0.918 332 D CB 0.466 41.273 40.800 0.013 0.000 1.181 332 D HN 0.306 nan 8.370 nan 0.000 0.435 333 N N 0.271 119.018 118.700 0.078 0.000 2.503 333 N HA 0.300 5.040 4.740 -0.000 0.000 0.287 333 N C -2.922 172.604 175.510 0.026 0.000 1.096 333 N CA -1.387 51.681 53.050 0.030 0.000 0.936 333 N CB 1.926 40.557 38.487 0.239 0.000 1.570 333 N HN 0.029 nan 8.380 nan 0.000 0.504 334 P HA 0.365 nan 4.420 nan 0.000 0.282 334 P C -0.942 176.052 177.300 -0.510 0.000 1.287 334 P CA -0.477 62.353 63.100 -0.449 0.000 0.792 334 P CB 1.024 32.256 31.700 -0.779 0.000 1.163 335 V N -3.749 115.789 119.914 -0.627 0.000 2.962 335 V HA 0.635 4.755 4.120 -0.000 0.000 0.313 335 V C -1.093 174.562 176.094 -0.731 0.000 1.099 335 V CA -0.952 61.013 62.300 -0.559 0.000 0.971 335 V CB 1.628 33.309 31.823 -0.237 0.000 1.028 335 V HN 0.223 nan 8.190 nan 0.000 0.430 336 F N 2.260 122.196 119.950 -0.025 0.000 2.311 336 F HA 0.614 5.141 4.527 -0.000 0.000 0.371 336 F C -2.375 173.420 175.800 -0.008 0.000 1.083 336 F CA -2.543 55.450 58.000 -0.011 0.000 1.113 336 F CB 1.247 40.246 39.000 -0.001 0.000 1.349 336 F HN 0.296 nan 8.300 nan 0.000 0.470 337 P HA -0.013 nan 4.420 nan 0.000 0.258 337 P C -1.980 175.363 177.300 0.072 0.000 1.172 337 P CA -0.598 62.535 63.100 0.055 0.000 0.762 337 P CB 0.445 32.165 31.700 0.033 0.000 0.764 338 P HA -0.175 nan 4.420 nan 0.000 0.218 338 P C 0.861 178.181 177.300 0.034 0.000 1.149 338 P CA 1.329 64.456 63.100 0.045 0.000 0.817 338 P CB -0.117 31.602 31.700 0.032 0.000 0.785 339 D N -1.394 119.023 120.400 0.028 0.000 2.371 339 D HA 0.007 4.647 4.640 -0.000 0.000 0.221 339 D C 1.447 177.763 176.300 0.026 0.000 0.986 339 D CA 0.888 54.901 54.000 0.022 0.000 0.899 339 D CB -1.260 39.549 40.800 0.016 0.000 0.902 339 D HN 0.194 nan 8.370 nan 0.000 0.530 340 G N 0.179 109.001 108.800 0.037 0.000 2.166 340 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.260 340 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.260 340 G C 1.244 176.167 174.900 0.037 0.000 0.986 340 G CA 1.225 46.350 45.100 0.041 0.000 0.683 340 G HN 0.634 nan 8.290 nan 0.000 0.527 341 S N -1.298 114.421 115.700 0.032 0.000 2.353 341 S HA 0.146 4.616 4.470 -0.000 0.000 0.222 341 S C 1.290 175.910 174.600 0.033 0.000 1.035 341 S CA 2.030 60.246 58.200 0.027 0.000 1.025 341 S CB -0.556 62.655 63.200 0.019 0.000 0.902 341 S HN 2.029 nan 8.310 nan 0.000 0.440 342 V N -3.168 116.770 119.914 0.041 0.000 3.040 342 V HA 0.576 4.696 4.120 -0.000 0.000 0.312 342 V C -2.480 173.660 176.094 0.077 0.000 1.115 342 V CA -2.183 60.148 62.300 0.051 0.000 0.998 342 V CB 1.207 33.056 31.823 0.042 0.000 1.042 342 V HN -0.079 nan 8.190 nan 0.000 0.433 343 P HA 0.230 nan 4.420 nan 0.000 0.217 343 P C 0.257 177.682 177.300 0.208 0.000 1.150 343 P CA 2.067 65.256 63.100 0.150 0.000 0.832 343 P CB 0.163 31.948 31.700 0.143 0.000 0.787 344 A N -2.020 120.867 122.820 0.111 0.000 2.583 344 A HA 0.613 4.933 4.320 -0.000 0.000 0.292 344 A C -1.954 175.596 177.584 -0.057 0.000 1.045 344 A CA -0.552 51.461 52.037 -0.041 0.000 0.672 344 A CB 0.330 19.271 19.000 -0.098 0.000 1.283 344 A HN -0.053 nan 8.150 nan 0.000 0.419 345 L N 1.175 122.280 121.223 -0.197 0.000 2.362 345 L HA 0.622 4.962 4.340 -0.000 0.000 0.271 345 L C -1.068 175.650 176.870 -0.253 0.000 1.002 345 L CA -0.711 54.064 54.840 -0.108 0.000 0.818 345 L CB 2.263 44.263 42.059 -0.098 0.000 1.298 345 L HN 0.848 nan 8.230 nan 0.000 0.420 346 H N 1.122 120.129 119.070 -0.105 0.000 2.539 346 H HA 0.738 5.294 4.556 0.000 0.000 0.332 346 H C 0.160 175.429 175.328 -0.098 0.000 1.031 346 H CA -0.179 55.807 56.048 -0.103 0.000 1.206 346 H CB 1.955 31.657 29.762 -0.101 0.000 1.446 346 H HN 0.740 nan 8.280 nan 0.000 0.496 347 G N 0.733 109.511 108.800 -0.037 0.000 2.933 347 G HA2 0.461 4.421 3.960 -0.000 0.000 0.203 347 G HA3 0.461 4.421 3.960 -0.000 0.000 0.203 347 G C -0.251 174.520 174.900 -0.215 0.000 1.170 347 G CA -0.314 44.726 45.100 -0.099 0.000 0.880 347 G HN 0.671 nan 8.290 nan 0.000 0.573 348 G N 0.055 108.597 108.800 -0.430 0.000 4.921 348 G HA2 0.284 4.244 3.960 -0.000 0.000 0.248 348 G HA3 0.284 4.244 3.960 -0.000 0.000 0.248 348 G C 0.167 174.440 174.900 -1.046 0.000 1.026 348 G CA -0.155 44.303 45.100 -1.071 0.000 0.825 348 G HN 0.253 nan 8.290 nan 0.000 0.538 349 N N 0.856 119.172 118.700 -0.640 0.000 2.609 349 N HA -0.031 4.709 4.740 -0.000 0.000 0.190 349 N C 1.476 176.822 175.510 -0.274 0.000 1.157 349 N CA 0.299 53.134 53.050 -0.359 0.000 0.918 349 N CB -0.144 38.227 38.487 -0.194 0.000 0.978 349 N HN 0.632 nan 8.380 nan 0.000 0.448 350 F N -1.245 118.684 119.950 -0.035 0.000 2.789 350 F HA 0.336 4.863 4.527 -0.000 0.000 0.300 350 F C 0.814 176.608 175.800 -0.010 0.000 1.132 350 F CA -0.829 57.156 58.000 -0.025 0.000 1.404 350 F CB -0.696 38.287 39.000 -0.028 0.000 1.114 350 F HN -0.167 nan 8.300 nan 0.000 0.584 351 M N 2.765 122.327 119.600 -0.063 0.000 2.350 351 M HA 0.351 4.831 4.480 -0.000 0.000 0.338 351 M C 0.940 177.283 176.300 0.072 0.000 1.559 351 M CA -0.625 54.723 55.300 0.081 0.000 1.217 351 M CB 0.201 32.770 32.600 -0.052 0.000 1.808 351 M HN 0.238 nan 8.290 nan 0.000 0.458 352 G N 3.596 112.458 108.800 0.103 0.000 3.471 352 G HA2 0.056 4.016 3.960 -0.000 0.000 0.254 352 G HA3 0.056 4.016 3.960 -0.000 0.000 0.254 352 G C 0.650 175.589 174.900 0.064 0.000 1.199 352 G CA -0.204 44.941 45.100 0.076 0.000 1.683 352 G HN 0.818 nan 8.290 nan 0.000 0.625 353 Q N -0.009 119.829 119.800 0.064 0.000 2.167 353 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 353 Q C 1.934 177.913 176.000 -0.035 0.000 0.970 353 Q CA 1.427 57.236 55.803 0.011 0.000 0.855 353 Q CB -0.105 28.619 28.738 -0.023 0.000 0.911 353 Q HN 0.712 nan 8.270 nan 0.000 0.438 354 H N -1.710 117.337 119.070 -0.037 0.000 2.321 354 H HA -0.059 4.497 4.556 -0.000 0.000 0.300 354 H C 1.782 177.028 175.328 -0.135 0.000 1.087 354 H CA 1.736 57.736 56.048 -0.081 0.000 1.319 354 H CB 0.018 29.720 29.762 -0.101 0.000 1.379 354 H HN 0.069 nan 8.280 nan 0.000 0.501 355 V N 0.406 120.326 119.914 0.011 0.000 2.548 355 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 355 V C 2.456 178.538 176.094 -0.020 0.000 1.055 355 V CA 1.333 63.601 62.300 -0.054 0.000 1.065 355 V CB -0.831 30.972 31.823 -0.033 0.000 0.681 355 V HN 0.560 nan 8.190 nan 0.000 0.462 356 A N 0.004 122.827 122.820 0.005 0.000 1.877 356 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 356 A C 2.191 179.790 177.584 0.025 0.000 1.186 356 A CA 1.669 53.719 52.037 0.022 0.000 0.620 356 A CB -0.472 18.544 19.000 0.027 0.000 0.822 356 A HN 0.483 nan 8.150 nan 0.000 0.443 357 L N -0.109 121.118 121.223 0.007 0.000 2.093 357 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 357 L C 2.953 179.870 176.870 0.078 0.000 1.085 357 L CA 1.764 56.639 54.840 0.058 0.000 0.755 357 L CB -0.851 41.255 42.059 0.077 0.000 0.904 357 L HN 0.657 nan 8.230 nan 0.000 0.435 358 T N -4.765 109.733 114.554 -0.093 0.000 2.904 358 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 358 T C 2.006 176.783 174.700 0.128 0.000 1.059 358 T CA 1.154 63.144 62.100 -0.182 0.000 1.137 358 T CB -0.140 68.400 68.868 -0.547 0.000 0.879 358 T HN 0.111 nan 8.240 nan 0.000 0.467 359 S N 1.632 117.403 115.700 0.118 0.000 2.368 359 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 359 S C 1.825 176.484 174.600 0.100 0.000 1.029 359 S CA 1.109 59.398 58.200 0.149 0.000 0.988 359 S CB -0.480 62.785 63.200 0.108 0.000 0.838 359 S HN 0.507 nan 8.310 nan 0.000 0.462 360 D N 1.706 122.161 120.400 0.090 0.000 2.117 360 D HA 0.021 4.661 4.640 -0.000 0.000 0.198 360 D C 2.110 178.463 176.300 0.089 0.000 0.982 360 D CA 1.171 55.218 54.000 0.078 0.000 0.828 360 D CB -0.410 40.432 40.800 0.070 0.000 0.967 360 D HN 0.366 nan 8.370 nan 0.000 0.464 361 A N 0.638 123.546 122.820 0.148 0.000 1.898 361 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 361 A C 2.139 179.795 177.584 0.119 0.000 1.181 361 A CA 0.929 53.073 52.037 0.177 0.000 0.620 361 A CB -0.656 18.576 19.000 0.387 0.000 0.819 361 A HN 0.251 nan 8.150 nan 0.000 0.442 362 L N -0.263 121.023 121.223 0.105 0.000 2.093 362 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 362 L C 2.606 179.460 176.870 -0.026 0.000 1.085 362 L CA 2.009 56.856 54.840 0.012 0.000 0.755 362 L CB -0.743 41.247 42.059 -0.115 0.000 0.904 362 L HN 0.330 nan 8.230 nan 0.000 0.435 363 A N -1.486 121.333 122.820 -0.002 0.000 1.908 363 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 363 A C 2.265 179.823 177.584 -0.044 0.000 1.181 363 A CA 2.317 54.345 52.037 -0.015 0.000 0.627 363 A CB -1.182 17.828 19.000 0.016 0.000 0.818 363 A HN 0.505 nan 8.150 nan 0.000 0.445 364 T N 0.160 114.698 114.554 -0.026 0.000 2.777 364 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 364 T C 2.248 176.892 174.700 -0.093 0.000 1.040 364 T CA 1.498 63.572 62.100 -0.045 0.000 1.141 364 T CB -0.443 68.414 68.868 -0.018 0.000 0.868 364 T HN 0.600 nan 8.240 nan 0.000 0.444 365 A N 1.014 123.780 122.820 -0.090 0.000 1.902 365 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 365 A C 2.578 179.993 177.584 -0.282 0.000 1.181 365 A CA 1.408 53.361 52.037 -0.140 0.000 0.623 365 A CB -1.061 17.892 19.000 -0.078 0.000 0.818 365 A HN 0.352 nan 8.150 nan 0.000 0.443 366 V N -0.301 119.428 119.914 -0.309 0.000 2.343 366 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 366 V C 2.736 178.495 176.094 -0.560 0.000 1.051 366 V CA 2.473 64.436 62.300 -0.562 0.000 1.036 366 V CB -1.210 30.447 31.823 -0.278 0.000 0.654 366 V HN 0.614 nan 8.190 nan 0.000 0.451 367 T N -0.195 114.183 114.554 -0.293 0.000 2.788 367 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 367 T C 1.925 176.492 174.700 -0.223 0.000 1.044 367 T CA 1.512 63.486 62.100 -0.211 0.000 1.139 367 T CB -0.146 68.655 68.868 -0.110 0.000 0.867 367 T HN 0.285 nan 8.240 nan 0.000 0.454 368 V N 1.109 120.888 119.914 -0.225 0.000 2.307 368 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 368 V C 2.367 178.323 176.094 -0.230 0.000 1.045 368 V CA 1.268 63.458 62.300 -0.184 0.000 1.024 368 V CB -0.524 31.207 31.823 -0.154 0.000 0.651 368 V HN 0.318 nan 8.190 nan 0.000 0.449 369 L N 0.328 121.321 121.223 -0.383 0.000 2.141 369 L HA -0.019 4.321 4.340 -0.000 0.000 0.209 369 L C 2.526 179.198 176.870 -0.330 0.000 1.094 369 L CA 1.987 56.601 54.840 -0.378 0.000 0.763 369 L CB -1.132 40.595 42.059 -0.555 0.000 0.908 369 L HN 0.283 nan 8.230 nan 0.000 0.437 370 A N -0.609 121.879 122.820 -0.555 0.000 1.969 370 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 370 A C 2.413 179.978 177.584 -0.033 0.000 1.169 370 A CA 1.437 53.339 52.037 -0.225 0.000 0.635 370 A CB -1.185 17.689 19.000 -0.211 0.000 0.810 370 A HN 0.415 nan 8.150 nan 0.000 0.445 371 G N -0.168 108.583 108.800 -0.082 0.000 2.422 371 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 371 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 371 G C 1.463 176.367 174.900 0.006 0.000 1.140 371 G CA 1.154 46.238 45.100 -0.027 0.000 0.775 371 G HN 0.504 nan 8.290 nan 0.000 0.545 372 L N 1.296 122.519 121.223 -0.000 0.000 2.056 372 L HA 0.206 4.546 4.340 -0.000 0.000 0.207 372 L C 2.958 179.873 176.870 0.075 0.000 1.078 372 L CA 2.217 57.077 54.840 0.034 0.000 0.749 372 L CB -0.659 41.412 42.059 0.021 0.000 0.901 372 L HN 0.194 nan 8.230 nan 0.000 0.433 373 A N -1.007 121.884 122.820 0.118 0.000 1.969 373 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 373 A C 2.303 179.945 177.584 0.097 0.000 1.169 373 A CA 1.475 53.596 52.037 0.140 0.000 0.635 373 A CB -0.679 18.461 19.000 0.234 0.000 0.810 373 A HN 0.564 nan 8.150 nan 0.000 0.445 374 E N 0.071 120.323 120.200 0.086 0.000 2.106 374 E HA -0.170 4.179 4.350 -0.000 0.000 0.192 374 E C 1.949 178.582 176.600 0.054 0.000 0.984 374 E CA 0.744 57.184 56.400 0.066 0.000 0.806 374 E CB -0.172 29.561 29.700 0.055 0.000 0.750 374 E HN 0.361 nan 8.360 nan 0.000 0.458 375 R N 0.253 120.783 120.500 0.050 0.000 2.153 375 R HA 0.015 4.355 4.340 -0.000 0.000 0.218 375 R C 2.310 178.638 176.300 0.046 0.000 1.072 375 R CA 0.629 56.755 56.100 0.043 0.000 0.990 375 R CB -0.280 30.044 30.300 0.039 0.000 0.889 375 R HN 0.370 nan 8.270 nan 0.000 0.452 376 Q N -0.030 119.803 119.800 0.055 0.000 2.167 376 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 376 Q C 2.059 178.081 176.000 0.036 0.000 0.970 376 Q CA 0.983 56.819 55.803 0.054 0.000 0.855 376 Q CB 0.024 28.804 28.738 0.070 0.000 0.911 376 Q HN 0.300 nan 8.270 nan 0.000 0.438 377 I N 0.313 120.905 120.570 0.037 0.000 2.286 377 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 377 I C 2.355 178.496 176.117 0.040 0.000 1.104 377 I CA 0.748 62.063 61.300 0.025 0.000 1.397 377 I CB -0.310 37.710 38.000 0.033 0.000 1.072 377 I HN 0.126 nan 8.210 nan 0.000 0.417 378 A N 0.864 123.713 122.820 0.049 0.000 1.972 378 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 378 A C 2.428 180.026 177.584 0.024 0.000 1.169 378 A CA 1.817 53.886 52.037 0.054 0.000 0.635 378 A CB -0.587 18.443 19.000 0.050 0.000 0.810 378 A HN 0.384 nan 8.150 nan 0.000 0.446 379 R N -0.978 119.531 120.500 0.015 0.000 2.075 379 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 379 R C 2.012 178.301 176.300 -0.019 0.000 1.114 379 R CA 1.291 57.390 56.100 -0.002 0.000 0.972 379 R CB -0.389 29.917 30.300 0.010 0.000 0.869 379 R HN 0.384 nan 8.270 nan 0.000 0.437 380 L N 1.238 122.454 121.223 -0.012 0.000 2.083 380 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 380 L C 1.975 178.817 176.870 -0.048 0.000 1.083 380 L CA 2.428 57.252 54.840 -0.026 0.000 0.752 380 L CB -0.485 41.558 42.059 -0.025 0.000 0.899 380 L HN 0.436 nan 8.230 nan 0.000 0.433 381 T N -4.156 110.372 114.554 -0.043 0.000 3.129 381 T HA 0.021 4.371 4.350 -0.000 0.000 0.251 381 T C 0.731 175.228 174.700 -0.338 0.000 1.117 381 T CA -0.105 61.944 62.100 -0.085 0.000 1.034 381 T CB -0.479 68.460 68.868 0.119 0.000 0.968 381 T HN 0.256 nan 8.240 nan 0.000 0.526 382 D N 2.613 122.877 120.400 -0.227 0.000 2.347 382 D HA 0.074 4.714 4.640 -0.000 0.000 0.235 382 D C 1.298 177.476 176.300 -0.203 0.000 1.149 382 D CA -0.292 53.552 54.000 -0.260 0.000 0.850 382 D CB 1.271 41.998 40.800 -0.120 0.000 1.061 382 D HN 0.616 nan 8.370 nan 0.000 0.487 383 E N 3.236 123.288 120.200 -0.245 0.000 2.331 383 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 383 E C 1.067 177.618 176.600 -0.081 0.000 1.008 383 E CA 0.790 57.108 56.400 -0.136 0.000 0.843 383 E CB 0.103 29.736 29.700 -0.112 0.000 0.761 383 E HN 0.365 nan 8.360 nan 0.000 0.507 384 R N -0.004 120.449 120.500 -0.079 0.000 2.246 384 R HA 0.176 4.516 4.340 -0.000 0.000 0.199 384 R C 1.788 178.063 176.300 -0.042 0.000 0.984 384 R CA 0.554 56.625 56.100 -0.048 0.000 1.015 384 R CB 0.192 30.470 30.300 -0.038 0.000 0.930 384 R HN 0.270 nan 8.270 nan 0.000 0.475 385 L N 0.151 121.343 121.223 -0.051 0.000 2.749 385 L HA 0.111 4.451 4.340 -0.000 0.000 0.242 385 L C 0.700 177.549 176.870 -0.036 0.000 1.103 385 L CA -0.076 54.741 54.840 -0.039 0.000 0.906 385 L CB 0.145 42.183 42.059 -0.035 0.000 1.228 385 L HN 0.122 nan 8.230 nan 0.000 0.517 386 N N 0.827 119.499 118.700 -0.048 0.000 2.370 386 N HA -0.054 4.686 4.740 -0.000 0.000 0.198 386 N C 0.061 175.554 175.510 -0.029 0.000 1.156 386 N CA -0.228 52.798 53.050 -0.039 0.000 0.839 386 N CB -0.159 38.297 38.487 -0.051 0.000 0.989 386 N HN 0.066 nan 8.380 nan 0.000 0.468 387 R N -0.549 119.935 120.500 -0.026 0.000 3.205 387 R HA -0.153 4.187 4.340 -0.000 0.000 0.249 387 R C 0.768 177.057 176.300 -0.018 0.000 0.937 387 R CA 0.431 56.519 56.100 -0.020 0.000 0.641 387 R CB -2.037 28.253 30.300 -0.016 0.000 1.114 387 R HN 0.625 nan 8.270 nan 0.000 0.451 388 G N -0.943 107.845 108.800 -0.019 0.000 2.194 388 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.236 388 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.236 388 G C 0.278 175.167 174.900 -0.018 0.000 0.987 388 G CA 0.092 45.182 45.100 -0.015 0.000 0.635 388 G HN 0.263 nan 8.290 nan 0.000 0.520 389 L N 1.509 122.718 121.223 -0.024 0.000 2.453 389 L HA 0.412 4.752 4.340 -0.000 0.000 0.261 389 L C -1.628 175.226 176.870 -0.027 0.000 1.179 389 L CA -1.980 52.845 54.840 -0.025 0.000 0.813 389 L CB 0.574 42.618 42.059 -0.025 0.000 1.110 389 L HN -0.083 nan 8.230 nan 0.000 0.466 390 P HA 0.055 nan 4.420 nan 0.000 0.269 390 P C -2.467 174.861 177.300 0.047 0.000 1.209 390 P CA -0.946 62.146 63.100 -0.013 0.000 0.776 390 P CB -0.135 31.452 31.700 -0.188 0.000 0.876 391 P HA -0.016 nan 4.420 nan 0.000 0.266 391 P C -0.281 177.098 177.300 0.133 0.000 1.215 391 P CA 0.390 63.460 63.100 -0.050 0.000 0.763 391 P CB -0.205 31.515 31.700 0.033 0.000 0.806 392 F N 1.692 121.741 119.950 0.165 0.000 3.034 392 F HA -0.239 4.288 4.527 -0.000 0.000 0.286 392 F C 1.302 177.273 175.800 0.286 0.000 0.804 392 F CA 0.303 58.424 58.000 0.201 0.000 1.161 392 F CB -2.622 36.487 39.000 0.181 0.000 1.317 392 F HN 0.272 nan 8.300 nan 0.000 0.453 393 L N -1.545 119.845 121.223 0.278 0.000 3.737 393 L HA -0.316 4.024 4.340 -0.000 0.000 0.418 393 L C 1.341 178.373 176.870 0.270 0.000 1.216 393 L CA 1.057 56.037 54.840 0.234 0.000 0.915 393 L CB -1.948 40.260 42.059 0.248 0.000 1.834 393 L HN 0.694 nan 8.230 nan 0.000 0.943 394 H N 0.488 119.684 119.070 0.211 0.000 2.603 394 H HA 0.666 5.222 4.556 -0.000 0.000 0.370 394 H C 0.226 175.611 175.328 0.095 0.000 1.225 394 H CA -0.472 55.657 56.048 0.136 0.000 1.410 394 H CB 0.907 30.739 29.762 0.117 0.000 1.495 394 H HN 0.294 nan 8.280 nan 0.000 0.602 395 R N -0.031 120.489 120.500 0.033 0.000 2.807 395 R HA 0.475 4.815 4.340 -0.000 0.000 0.276 395 R C -0.398 175.985 176.300 0.138 0.000 0.979 395 R CA -0.203 55.885 56.100 -0.021 0.000 0.928 395 R CB 2.243 32.549 30.300 0.010 0.000 1.191 395 R HN 1.123 nan 8.270 nan 0.000 0.471 396 G N 1.872 110.731 108.800 0.099 0.000 2.728 396 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.294 396 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.294 396 G C -2.768 172.248 174.900 0.193 0.000 1.342 396 G CA -1.272 43.900 45.100 0.120 0.000 0.866 396 G HN 0.387 nan 8.290 nan 0.000 0.534 397 P HA 0.459 nan 4.420 nan 0.000 0.264 397 P C 0.467 177.813 177.300 0.076 0.000 1.193 397 P CA 0.810 63.976 63.100 0.109 0.000 0.763 397 P CB 0.725 32.455 31.700 0.050 0.000 0.810 398 A N 3.419 126.286 122.820 0.079 0.000 2.466 398 A HA 0.469 4.789 4.320 -0.000 0.000 0.238 398 A C 1.611 179.107 177.584 -0.147 0.000 1.074 398 A CA 0.807 52.718 52.037 -0.210 0.000 0.774 398 A CB -0.961 18.018 19.000 -0.035 0.000 1.015 398 A HN 0.811 nan 8.150 nan 0.000 0.498 399 G N 0.153 108.835 108.800 -0.197 0.000 3.909 399 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 399 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 399 G C 1.077 175.924 174.900 -0.087 0.000 1.404 399 G CA 0.556 45.596 45.100 -0.100 0.000 0.905 399 G HN 0.900 nan 8.290 nan 0.000 0.589 400 L N 1.082 122.265 121.223 -0.067 0.000 2.275 400 L HA 0.146 4.486 4.340 -0.000 0.000 0.215 400 L C 0.759 177.598 176.870 -0.052 0.000 1.119 400 L CA 0.875 55.689 54.840 -0.043 0.000 0.790 400 L CB -0.279 41.770 42.059 -0.018 0.000 0.919 400 L HN 0.315 nan 8.230 nan 0.000 0.443 401 N N -1.446 117.202 118.700 -0.086 0.000 2.258 401 N HA 0.212 4.952 4.740 -0.000 0.000 0.299 401 N C -0.150 175.274 175.510 -0.142 0.000 1.047 401 N CA -0.141 52.869 53.050 -0.067 0.000 0.814 401 N CB 2.151 40.664 38.487 0.043 0.000 1.413 401 N HN -0.236 nan 8.380 nan 0.000 0.478 402 S N 0.094 115.749 115.700 -0.075 0.000 2.559 402 S HA 0.249 4.719 4.470 -0.000 0.000 0.226 402 S C 1.290 175.913 174.600 0.039 0.000 1.000 402 S CA 0.035 58.196 58.200 -0.065 0.000 0.948 402 S CB 0.468 63.583 63.200 -0.141 0.000 0.870 402 S HN 0.929 nan 8.310 nan 0.000 0.497 403 G N 2.535 111.366 108.800 0.051 0.000 2.660 403 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.321 403 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.321 403 G C 0.211 175.016 174.900 -0.158 0.000 1.246 403 G CA 0.852 45.953 45.100 0.000 0.000 1.000 403 G HN 0.478 nan 8.290 nan 0.000 0.550 404 F N 1.332 121.365 119.950 0.138 0.000 2.663 404 F HA 0.487 5.014 4.527 -0.000 0.000 0.299 404 F C 2.303 178.132 175.800 0.048 0.000 1.143 404 F CA 0.850 58.906 58.000 0.094 0.000 1.387 404 F CB 0.200 39.273 39.000 0.122 0.000 1.019 404 F HN 0.323 nan 8.300 nan 0.000 0.523 405 M N -0.037 119.551 119.600 -0.021 0.000 2.159 405 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 405 M C 2.318 178.479 176.300 -0.231 0.000 1.063 405 M CA 2.190 57.199 55.300 -0.485 0.000 1.110 405 M CB -0.351 31.696 32.600 -0.923 0.000 1.374 405 M HN 0.306 nan 8.290 nan 0.000 0.411 406 G N -0.977 107.750 108.800 -0.121 0.000 2.408 406 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.215 406 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.215 406 G C 1.465 176.368 174.900 0.005 0.000 1.156 406 G CA 0.609 45.669 45.100 -0.066 0.000 0.793 406 G HN 0.595 nan 8.290 nan 0.000 0.535 407 A N 0.038 122.899 122.820 0.068 0.000 1.969 407 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 407 A C 2.242 179.893 177.584 0.112 0.000 1.169 407 A CA 1.905 54.014 52.037 0.120 0.000 0.635 407 A CB -0.352 18.800 19.000 0.254 0.000 0.810 407 A HN 0.365 nan 8.150 nan 0.000 0.445 408 Q N 0.114 119.994 119.800 0.133 0.000 2.079 408 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 408 Q C 2.050 178.100 176.000 0.084 0.000 0.974 408 Q CA 1.952 57.833 55.803 0.130 0.000 0.840 408 Q CB -0.240 28.629 28.738 0.217 0.000 0.898 408 Q HN 0.425 nan 8.270 nan 0.000 0.430 409 V N 0.481 120.426 119.914 0.051 0.000 2.453 409 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 409 V C 2.334 178.446 176.094 0.030 0.000 1.048 409 V CA 1.956 64.275 62.300 0.031 0.000 1.049 409 V CB -0.748 31.075 31.823 -0.000 0.000 0.672 409 V HN 0.361 nan 8.190 nan 0.000 0.457 410 T N 0.439 115.012 114.554 0.031 0.000 2.746 410 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 410 T C 2.075 176.797 174.700 0.036 0.000 1.039 410 T CA 1.617 63.735 62.100 0.029 0.000 1.142 410 T CB -0.351 68.535 68.868 0.029 0.000 0.866 410 T HN 0.570 nan 8.240 nan 0.000 0.444 411 A N 1.155 124.002 122.820 0.046 0.000 1.902 411 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 411 A C 2.544 180.156 177.584 0.047 0.000 1.181 411 A CA 2.100 54.167 52.037 0.049 0.000 0.623 411 A CB -1.208 17.825 19.000 0.055 0.000 0.818 411 A HN 0.473 nan 8.150 nan 0.000 0.443 412 T N 0.272 114.854 114.554 0.045 0.000 2.788 412 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 412 T C 2.186 176.905 174.700 0.031 0.000 1.044 412 T CA 1.502 63.626 62.100 0.039 0.000 1.139 412 T CB -0.403 68.489 68.868 0.039 0.000 0.867 412 T HN 0.598 nan 8.240 nan 0.000 0.454 413 A N 1.199 124.036 122.820 0.029 0.000 1.930 413 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 413 A C 2.282 179.881 177.584 0.025 0.000 1.175 413 A CA 1.076 53.126 52.037 0.023 0.000 0.627 413 A CB -0.758 18.254 19.000 0.019 0.000 0.815 413 A HN 0.476 nan 8.150 nan 0.000 0.443 414 L N -1.123 120.119 121.223 0.032 0.000 2.093 414 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 414 L C 2.548 179.441 176.870 0.037 0.000 1.085 414 L CA 1.057 55.919 54.840 0.037 0.000 0.755 414 L CB -0.520 41.566 42.059 0.046 0.000 0.904 414 L HN 0.464 nan 8.230 nan 0.000 0.435 415 L N 0.299 121.544 121.223 0.036 0.000 2.027 415 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 415 L C 2.669 179.549 176.870 0.016 0.000 1.074 415 L CA 1.960 56.816 54.840 0.027 0.000 0.745 415 L CB -0.708 41.366 42.059 0.025 0.000 0.898 415 L HN 0.123 nan 8.230 nan 0.000 0.433 416 A N -0.814 122.016 122.820 0.017 0.000 1.940 416 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 416 A C 2.339 179.931 177.584 0.013 0.000 1.176 416 A CA 2.003 54.048 52.037 0.013 0.000 0.631 416 A CB -0.774 18.235 19.000 0.014 0.000 0.814 416 A HN 0.647 nan 8.150 nan 0.000 0.446 417 E N -0.802 119.408 120.200 0.016 0.000 2.106 417 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 417 E C 2.032 178.642 176.600 0.016 0.000 0.984 417 E CA 1.129 57.538 56.400 0.016 0.000 0.806 417 E CB -0.185 29.526 29.700 0.019 0.000 0.750 417 E HN 0.672 nan 8.360 nan 0.000 0.458 418 M N 0.016 119.626 119.600 0.017 0.000 2.108 418 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 418 M C 2.278 178.581 176.300 0.005 0.000 1.066 418 M CA 1.525 56.833 55.300 0.013 0.000 1.107 418 M CB -0.115 32.490 32.600 0.007 0.000 1.356 418 M HN 0.012 nan 8.290 nan 0.000 0.406 419 R N -0.055 120.446 120.500 0.002 0.000 2.189 419 R HA -0.026 4.314 4.340 -0.000 0.000 0.223 419 R C 2.192 178.496 176.300 0.007 0.000 1.092 419 R CA 1.105 57.205 56.100 -0.000 0.000 0.989 419 R CB -0.434 29.865 30.300 -0.002 0.000 0.876 419 R HN 0.367 nan 8.270 nan 0.000 0.457 420 A N 0.591 123.417 122.820 0.010 0.000 2.067 420 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 420 A C 0.830 178.424 177.584 0.017 0.000 1.158 420 A CA 0.968 53.013 52.037 0.013 0.000 0.661 420 A CB 0.048 19.055 19.000 0.011 0.000 0.801 420 A HN 0.111 nan 8.150 nan 0.000 0.452 421 T N 0.062 114.627 114.554 0.019 0.000 2.767 421 T HA 0.553 4.903 4.350 -0.000 0.000 0.284 421 T C 0.432 175.153 174.700 0.035 0.000 0.973 421 T CA 0.064 62.180 62.100 0.027 0.000 0.996 421 T CB 1.530 70.413 68.868 0.025 0.000 0.927 421 T HN 0.379 nan 8.240 nan 0.000 0.456 422 G N 2.964 111.798 108.800 0.057 0.000 2.938 422 G HA2 0.680 4.640 3.960 -0.000 0.000 0.258 422 G HA3 0.680 4.640 3.960 -0.000 0.000 0.258 422 G C -2.651 172.296 174.900 0.079 0.000 1.356 422 G CA -1.616 43.521 45.100 0.061 0.000 1.052 422 G HN 0.441 nan 8.290 nan 0.000 0.550 423 P HA 0.245 nan 4.420 nan 0.000 0.265 423 P C 0.322 177.688 177.300 0.110 0.000 1.187 423 P CA 0.432 63.568 63.100 0.060 0.000 0.766 423 P CB 1.266 32.977 31.700 0.018 0.000 0.820 424 A N 1.934 124.820 122.820 0.111 0.000 1.997 424 A HA -0.029 4.291 4.320 -0.000 0.000 0.212 424 A C 2.075 179.735 177.584 0.127 0.000 1.178 424 A CA 0.938 53.083 52.037 0.179 0.000 0.698 424 A CB -0.968 18.103 19.000 0.118 0.000 0.842 424 A HN 0.470 nan 8.150 nan 0.000 0.458 425 S N 0.645 116.373 115.700 0.045 0.000 2.402 425 S HA -0.194 4.276 4.470 -0.000 0.000 0.233 425 S C 1.698 176.266 174.600 -0.052 0.000 1.030 425 S CA 1.633 59.839 58.200 0.009 0.000 1.003 425 S CB -0.701 62.504 63.200 0.007 0.000 0.813 425 S HN 0.792 nan 8.310 nan 0.000 0.477 426 I N -1.368 119.098 120.570 -0.173 0.000 3.444 426 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 426 I C 0.737 176.634 176.117 -0.366 0.000 1.302 426 I CA 1.016 62.148 61.300 -0.281 0.000 1.368 426 I CB -0.352 37.429 38.000 -0.364 0.000 1.048 426 I HN 0.162 nan 8.210 nan 0.000 0.487 427 H N 1.188 120.269 119.070 0.018 0.000 2.524 427 H HA 0.322 4.878 4.556 -0.000 0.000 0.299 427 H C 0.632 175.971 175.328 0.019 0.000 1.074 427 H CA -0.228 55.831 56.048 0.018 0.000 1.115 427 H CB 0.094 29.866 29.762 0.017 0.000 1.522 427 H HN 0.304 nan 8.280 nan 0.000 0.543 428 S N 1.154 116.898 115.700 0.073 0.000 2.560 428 S HA 0.225 4.695 4.470 -0.000 0.000 0.284 428 S C 0.283 174.921 174.600 0.063 0.000 1.327 428 S CA -0.208 58.030 58.200 0.063 0.000 1.055 428 S CB 0.073 63.297 63.200 0.038 0.000 0.868 428 S HN 0.296 nan 8.310 nan 0.000 0.506 429 I N 3.109 123.714 120.570 0.059 0.000 2.569 429 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 429 I C 0.001 176.144 176.117 0.042 0.000 1.088 429 I CA -0.642 60.688 61.300 0.050 0.000 1.047 429 I CB 2.152 40.182 38.000 0.050 0.000 1.237 429 I HN 0.565 nan 8.210 nan 0.000 0.421 430 S N 3.883 119.605 115.700 0.037 0.000 2.525 430 S HA 0.277 4.747 4.470 -0.000 0.000 0.285 430 S C -0.210 174.410 174.600 0.034 0.000 1.283 430 S CA 0.438 58.659 58.200 0.035 0.000 1.072 430 S CB 0.252 63.470 63.200 0.030 0.000 0.867 430 S HN 0.773 nan 8.310 nan 0.000 0.492 431 T N 3.069 117.645 114.554 0.035 0.000 2.647 431 T HA 0.412 4.762 4.350 -0.000 0.000 0.295 431 T C -0.343 174.378 174.700 0.034 0.000 1.126 431 T CA -0.093 62.027 62.100 0.033 0.000 1.040 431 T CB 0.799 69.688 68.868 0.034 0.000 1.472 431 T HN 0.906 nan 8.240 nan 0.000 0.500 432 N N 0.582 119.302 118.700 0.034 0.000 2.738 432 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 432 N C 0.287 175.817 175.510 0.034 0.000 1.047 432 N CA 0.859 53.931 53.050 0.036 0.000 0.707 432 N CB -1.212 37.299 38.487 0.040 0.000 0.937 432 N HN 1.608 nan 8.380 nan 0.000 0.545 433 A N -0.844 121.993 122.820 0.029 0.000 2.822 433 A HA 0.024 4.344 4.320 -0.000 0.000 0.287 433 A C 1.319 178.919 177.584 0.028 0.000 1.479 433 A CA 2.002 54.054 52.037 0.026 0.000 0.779 433 A CB -2.308 16.707 19.000 0.025 0.000 1.022 433 A HN 2.260 nan 8.150 nan 0.000 0.532 434 A N -2.342 120.496 122.820 0.029 0.000 3.413 434 A HA -0.362 3.958 4.320 -0.000 0.000 0.268 434 A C 1.390 178.995 177.584 0.034 0.000 1.128 434 A CA 2.073 54.128 52.037 0.030 0.000 1.062 434 A CB -2.533 16.483 19.000 0.025 0.000 1.121 434 A HN 2.267 nan 8.150 nan 0.000 0.895 435 N N -0.015 118.707 118.700 0.038 0.000 2.171 435 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 435 N C 0.983 176.523 175.510 0.051 0.000 1.021 435 N CA 1.811 54.887 53.050 0.044 0.000 0.854 435 N CB -0.157 38.360 38.487 0.050 0.000 0.994 435 N HN 0.748 nan 8.380 nan 0.000 0.426 436 Q N 0.575 120.404 119.800 0.049 0.000 3.091 436 Q HA 0.067 4.407 4.340 -0.000 0.000 0.301 436 Q C -0.423 175.608 176.000 0.052 0.000 1.337 436 Q CA -0.274 55.563 55.803 0.058 0.000 1.083 436 Q CB 0.555 29.323 28.738 0.049 0.000 1.477 436 Q HN 0.510 nan 8.270 nan 0.000 0.537 437 D N -0.428 120.000 120.400 0.048 0.000 2.348 437 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 437 D C 0.635 176.959 176.300 0.040 0.000 0.970 437 D CA 0.415 54.439 54.000 0.040 0.000 0.889 437 D CB 0.105 40.925 40.800 0.033 0.000 0.912 437 D HN 0.203 nan 8.370 nan 0.000 0.524 438 V N -1.722 118.221 119.914 0.049 0.000 2.733 438 V HA 0.728 4.847 4.120 -0.000 0.000 0.306 438 V C -0.416 175.716 176.094 0.062 0.000 1.084 438 V CA -1.204 61.124 62.300 0.047 0.000 0.905 438 V CB 1.789 33.635 31.823 0.037 0.000 1.010 438 V HN 0.096 nan 8.190 nan 0.000 0.424 439 V N 1.262 121.211 119.914 0.059 0.000 2.962 439 V HA 0.783 4.903 4.120 -0.000 0.000 0.313 439 V C 1.109 177.241 176.094 0.062 0.000 1.099 439 V CA 0.271 62.613 62.300 0.070 0.000 0.971 439 V CB 1.496 33.358 31.823 0.064 0.000 1.028 439 V HN 1.276 nan 8.190 nan 0.000 0.430 440 S N 2.421 118.163 115.700 0.069 0.000 2.425 440 S HA 0.085 4.555 4.470 -0.000 0.000 0.225 440 S C 1.156 175.788 174.600 0.054 0.000 1.024 440 S CA 1.086 59.319 58.200 0.056 0.000 0.951 440 S CB -0.858 62.378 63.200 0.061 0.000 0.796 440 S HN 1.359 nan 8.310 nan 0.000 0.498 441 L N 0.325 121.583 121.223 0.059 0.000 4.040 441 L HA -0.196 4.144 4.340 -0.000 0.000 0.410 441 L C 1.507 178.409 176.870 0.055 0.000 1.187 441 L CA 0.034 54.910 54.840 0.060 0.000 0.956 441 L CB -2.279 39.824 42.059 0.074 0.000 2.022 441 L HN 0.536 nan 8.230 nan 0.000 0.897 442 G N -0.412 108.418 108.800 0.050 0.000 2.432 442 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 442 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 442 G C 1.273 176.198 174.900 0.043 0.000 1.135 442 G CA 1.396 46.523 45.100 0.044 0.000 0.767 442 G HN 0.475 nan 8.290 nan 0.000 0.550 443 T N 1.174 115.752 114.554 0.040 0.000 2.812 443 T HA 0.015 4.365 4.350 -0.000 0.000 0.264 443 T C 2.374 177.097 174.700 0.038 0.000 1.042 443 T CA 0.786 62.908 62.100 0.035 0.000 1.140 443 T CB -0.080 68.805 68.868 0.028 0.000 0.870 443 T HN 0.262 nan 8.240 nan 0.000 0.445 444 I N 1.608 122.202 120.570 0.041 0.000 2.252 444 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 444 I C 2.988 179.135 176.117 0.051 0.000 1.102 444 I CA 1.026 62.351 61.300 0.043 0.000 1.385 444 I CB -0.498 37.530 38.000 0.046 0.000 1.064 444 I HN 0.204 nan 8.210 nan 0.000 0.414 445 A N 0.795 123.649 122.820 0.057 0.000 1.883 445 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 445 A C 2.535 180.156 177.584 0.062 0.000 1.186 445 A CA 2.052 54.126 52.037 0.061 0.000 0.624 445 A CB -0.910 18.126 19.000 0.060 0.000 0.822 445 A HN 0.435 nan 8.150 nan 0.000 0.444 446 A N -0.511 122.346 122.820 0.062 0.000 1.930 446 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 446 A C 2.246 179.868 177.584 0.064 0.000 1.175 446 A CA 1.466 53.546 52.037 0.072 0.000 0.627 446 A CB -0.425 18.616 19.000 0.069 0.000 0.815 446 A HN 0.548 nan 8.150 nan 0.000 0.443 447 R N -0.563 119.969 120.500 0.052 0.000 2.092 447 R HA 0.031 4.371 4.340 -0.000 0.000 0.231 447 R C 1.945 178.274 176.300 0.048 0.000 1.119 447 R CA 1.250 57.378 56.100 0.047 0.000 0.970 447 R CB -0.410 29.912 30.300 0.036 0.000 0.864 447 R HN 0.498 nan 8.270 nan 0.000 0.440 448 L N -0.341 120.911 121.223 0.047 0.000 2.156 448 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 448 L C 2.705 179.603 176.870 0.047 0.000 1.095 448 L CA 0.636 55.503 54.840 0.045 0.000 0.770 448 L CB -0.460 41.626 42.059 0.046 0.000 0.914 448 L HN 0.365 nan 8.230 nan 0.000 0.439 449 C N 0.323 119.654 119.300 0.051 0.000 2.440 449 C HA -0.132 4.328 4.460 -0.000 0.000 0.278 449 C C 3.084 178.111 174.990 0.061 0.000 1.295 449 C CA 0.737 59.784 59.018 0.048 0.000 1.738 449 C CB -0.515 27.253 27.740 0.047 0.000 1.987 449 C HN 0.489 nan 8.230 nan 0.000 0.492 450 R N 1.334 121.874 120.500 0.067 0.000 2.073 450 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 450 R C 2.123 178.470 176.300 0.078 0.000 1.134 450 R CA 2.019 58.165 56.100 0.078 0.000 0.952 450 R CB -0.847 29.497 30.300 0.073 0.000 0.850 450 R HN 0.505 nan 8.270 nan 0.000 0.433 451 E N 0.831 121.070 120.200 0.064 0.000 2.118 451 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 451 E C 1.840 178.483 176.600 0.072 0.000 0.992 451 E CA 1.448 57.884 56.400 0.060 0.000 0.804 451 E CB -0.114 29.613 29.700 0.046 0.000 0.741 451 E HN 0.446 nan 8.360 nan 0.000 0.458 452 K N 0.187 120.629 120.400 0.071 0.000 2.097 452 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 452 K C 2.302 178.989 176.600 0.147 0.000 1.050 452 K CA 0.698 57.031 56.287 0.077 0.000 0.938 452 K CB -0.078 32.444 32.500 0.036 0.000 0.718 452 K HN 0.100 nan 8.250 nan 0.000 0.442 453 I N 1.406 122.075 120.570 0.166 0.000 2.315 453 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 453 I C 1.587 177.827 176.117 0.204 0.000 1.117 453 I CA 1.129 62.585 61.300 0.261 0.000 1.404 453 I CB -0.206 37.915 38.000 0.201 0.000 1.071 453 I HN 0.131 nan 8.210 nan 0.000 0.419 454 D N 0.620 121.098 120.400 0.130 0.000 2.117 454 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 454 D C 2.331 178.685 176.300 0.091 0.000 0.987 454 D CA 0.937 54.989 54.000 0.086 0.000 0.829 454 D CB -0.207 40.633 40.800 0.066 0.000 0.961 454 D HN 0.156 nan 8.370 nan 0.000 0.460 455 R N -0.042 120.527 120.500 0.115 0.000 2.075 455 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 455 R C 2.134 178.543 176.300 0.181 0.000 1.126 455 R CA 0.495 56.663 56.100 0.113 0.000 0.963 455 R CB -1.068 29.289 30.300 0.096 0.000 0.858 455 R HN 0.350 nan 8.270 nan 0.000 0.435 456 W N 1.817 123.117 121.300 0.001 0.000 2.358 456 W HA -0.091 4.569 4.660 -0.000 0.000 0.303 456 W C 2.100 178.610 176.519 -0.015 0.000 1.208 456 W CA 1.403 58.749 57.345 0.001 0.000 1.274 456 W CB -0.629 28.839 29.460 0.012 0.000 1.138 456 W HN 0.140 nan 8.180 nan 0.000 0.515 457 A N 0.115 122.932 122.820 -0.005 0.000 1.933 457 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 457 A C 1.869 179.364 177.584 -0.148 0.000 1.175 457 A CA 1.957 53.877 52.037 -0.195 0.000 0.628 457 A CB -0.736 18.177 19.000 -0.145 0.000 0.814 457 A HN 0.460 nan 8.150 nan 0.000 0.444 458 E N -0.341 119.831 120.200 -0.047 0.000 2.072 458 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 458 E C 1.849 178.431 176.600 -0.030 0.000 0.985 458 E CA 1.107 57.482 56.400 -0.042 0.000 0.801 458 E CB -0.247 29.453 29.700 0.000 0.000 0.750 458 E HN 0.691 nan 8.360 nan 0.000 0.452 459 I N 0.927 121.516 120.570 0.031 0.000 2.226 459 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 459 I C 2.238 178.363 176.117 0.013 0.000 1.100 459 I CA 0.991 62.326 61.300 0.058 0.000 1.374 459 I CB -0.164 37.927 38.000 0.150 0.000 1.057 459 I HN 0.122 nan 8.210 nan 0.000 0.413 460 L N 0.393 121.593 121.223 -0.040 0.000 2.093 460 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 460 L C 2.860 179.619 176.870 -0.185 0.000 1.085 460 L CA 1.160 55.932 54.840 -0.112 0.000 0.755 460 L CB -0.689 41.213 42.059 -0.261 0.000 0.904 460 L HN 0.233 nan 8.230 nan 0.000 0.435 461 A N 0.522 123.204 122.820 -0.231 0.000 1.883 461 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 461 A C 2.211 179.673 177.584 -0.204 0.000 1.186 461 A CA 1.666 53.535 52.037 -0.280 0.000 0.624 461 A CB -0.684 18.164 19.000 -0.253 0.000 0.822 461 A HN 0.345 nan 8.150 nan 0.000 0.444 462 I N -0.894 119.605 120.570 -0.119 0.000 2.179 462 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 462 I C 2.441 178.488 176.117 -0.117 0.000 1.088 462 I CA 1.338 62.594 61.300 -0.073 0.000 1.357 462 I CB -0.312 37.682 38.000 -0.010 0.000 1.051 462 I HN 0.403 nan 8.210 nan 0.000 0.409 463 L N 1.242 122.412 121.223 -0.089 0.000 2.042 463 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 463 L C 2.532 179.339 176.870 -0.105 0.000 1.076 463 L CA 2.143 56.935 54.840 -0.080 0.000 0.749 463 L CB -0.828 41.223 42.059 -0.012 0.000 0.893 463 L HN 0.193 nan 8.230 nan 0.000 0.432 464 A N -0.589 122.165 122.820 -0.109 0.000 1.902 464 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 464 A C 2.266 179.774 177.584 -0.126 0.000 1.181 464 A CA 1.952 53.937 52.037 -0.085 0.000 0.623 464 A CB -0.855 18.055 19.000 -0.149 0.000 0.818 464 A HN 0.505 nan 8.150 nan 0.000 0.443 465 L N -0.929 120.181 121.223 -0.188 0.000 2.056 465 L HA -0.229 4.111 4.340 -0.000 0.000 0.207 465 L C 2.706 179.360 176.870 -0.359 0.000 1.078 465 L CA 1.175 55.920 54.840 -0.159 0.000 0.749 465 L CB -0.670 41.369 42.059 -0.033 0.000 0.901 465 L HN 0.483 nan 8.230 nan 0.000 0.433 466 C N -0.229 118.708 119.300 -0.605 0.000 2.429 466 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 466 C C 2.744 177.519 174.990 -0.359 0.000 1.262 466 C CA 0.461 58.982 59.018 -0.829 0.000 1.733 466 C CB -0.732 26.657 27.740 -0.585 0.000 2.010 466 C HN 0.429 nan 8.230 nan 0.000 0.483 467 L N 0.851 121.959 121.223 -0.192 0.000 2.093 467 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 467 L C 2.847 179.697 176.870 -0.034 0.000 1.085 467 L CA 1.382 56.177 54.840 -0.076 0.000 0.755 467 L CB -0.648 41.400 42.059 -0.018 0.000 0.904 467 L HN 0.330 nan 8.230 nan 0.000 0.435 468 A N -0.287 122.517 122.820 -0.026 0.000 1.877 468 A HA -0.298 4.022 4.320 -0.000 0.000 0.216 468 A C 2.209 179.817 177.584 0.040 0.000 1.186 468 A CA 1.996 54.051 52.037 0.030 0.000 0.620 468 A CB -0.536 18.499 19.000 0.058 0.000 0.822 468 A HN 0.424 nan 8.150 nan 0.000 0.443 469 Q N -0.382 119.440 119.800 0.036 0.000 2.079 469 Q HA -0.011 4.329 4.340 -0.000 0.000 0.200 469 Q C 2.054 178.081 176.000 0.046 0.000 0.974 469 Q CA 2.033 57.892 55.803 0.093 0.000 0.840 469 Q CB -0.491 28.384 28.738 0.229 0.000 0.898 469 Q HN 0.552 nan 8.270 nan 0.000 0.430 470 A N 0.393 123.210 122.820 -0.005 0.000 1.933 470 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 470 A C 2.296 179.883 177.584 0.006 0.000 1.175 470 A CA 1.731 53.765 52.037 -0.006 0.000 0.628 470 A CB -1.174 17.807 19.000 -0.031 0.000 0.814 470 A HN 0.550 nan 8.150 nan 0.000 0.444 471 A N -0.060 122.767 122.820 0.012 0.000 1.902 471 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 471 A C 1.927 179.524 177.584 0.022 0.000 1.181 471 A CA 1.679 53.728 52.037 0.019 0.000 0.623 471 A CB -0.512 18.505 19.000 0.027 0.000 0.818 471 A HN 0.651 nan 8.150 nan 0.000 0.443 472 E N -0.278 119.939 120.200 0.029 0.000 2.107 472 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 472 E C 1.928 178.540 176.600 0.021 0.000 0.982 472 E CA 0.896 57.313 56.400 0.029 0.000 0.809 472 E CB -0.250 29.474 29.700 0.041 0.000 0.756 472 E HN 0.601 nan 8.360 nan 0.000 0.459 473 L N 0.500 121.735 121.223 0.019 0.000 2.093 473 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 473 L C 2.630 179.500 176.870 0.001 0.000 1.085 473 L CA 0.911 55.755 54.840 0.007 0.000 0.755 473 L CB -0.122 41.938 42.059 0.002 0.000 0.904 473 L HN 0.010 nan 8.230 nan 0.000 0.435 474 R N -0.451 120.052 120.500 0.003 0.000 2.080 474 R HA -0.026 4.314 4.340 -0.000 0.000 0.222 474 R C 1.712 178.013 176.300 0.003 0.000 1.107 474 R CA 1.469 57.569 56.100 0.001 0.000 0.980 474 R CB -0.285 30.015 30.300 0.001 0.000 0.879 474 R HN 0.339 nan 8.270 nan 0.000 0.439 475 C N 0.134 119.438 119.300 0.007 0.000 3.104 475 C HA 0.661 5.121 4.460 -0.000 0.000 0.284 475 C C 0.591 175.588 174.990 0.010 0.000 1.326 475 C CA -0.368 58.655 59.018 0.008 0.000 1.725 475 C CB -0.664 27.082 27.740 0.010 0.000 2.156 475 C HN 0.725 nan 8.230 nan 0.000 0.638 476 G N 1.780 110.586 108.800 0.011 0.000 2.758 476 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 476 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 476 G C 0.733 175.643 174.900 0.017 0.000 1.389 476 G CA 0.105 45.213 45.100 0.013 0.000 0.845 476 G HN 0.805 nan 8.290 nan 0.000 0.572 477 S N -0.600 115.111 115.700 0.019 0.000 2.419 477 S HA 0.020 4.490 4.470 -0.000 0.000 0.235 477 S C 2.430 177.042 174.600 0.021 0.000 1.019 477 S CA 1.952 60.166 58.200 0.023 0.000 0.982 477 S CB -0.283 62.930 63.200 0.021 0.000 0.789 477 S HN 2.195 nan 8.310 nan 0.000 0.490 478 G N 0.827 109.637 108.800 0.017 0.000 2.744 478 G HA2 0.324 4.284 3.960 -0.000 0.000 0.211 478 G HA3 0.324 4.284 3.960 -0.000 0.000 0.211 478 G C 0.556 175.466 174.900 0.016 0.000 1.143 478 G CA 0.019 45.129 45.100 0.016 0.000 0.788 478 G HN 0.626 nan 8.290 nan 0.000 0.534 479 L N 0.954 122.188 121.223 0.018 0.000 3.601 479 L HA -0.141 4.199 4.340 -0.000 0.000 0.469 479 L C -0.903 175.976 176.870 0.014 0.000 1.294 479 L CA -0.160 54.691 54.840 0.018 0.000 0.829 479 L CB -1.692 40.380 42.059 0.022 0.000 1.628 479 L HN 0.217 nan 8.230 nan 0.000 0.868 480 D N 1.301 121.708 120.400 0.011 0.000 2.425 480 D HA 0.295 4.935 4.640 -0.000 0.000 0.247 480 D C 1.351 177.655 176.300 0.006 0.000 1.147 480 D CA 1.347 55.352 54.000 0.008 0.000 0.879 480 D CB 1.375 42.178 40.800 0.006 0.000 1.179 480 D HN 0.549 nan 8.370 nan 0.000 0.456 481 G N 1.477 110.280 108.800 0.005 0.000 2.199 481 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 481 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 481 G C 0.468 175.370 174.900 0.004 0.000 0.982 481 G CA 0.119 45.220 45.100 0.002 0.000 0.632 481 G HN 0.512 nan 8.290 nan 0.000 0.529 482 V N 2.550 122.469 119.914 0.009 0.000 2.686 482 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 482 V C 1.465 177.568 176.094 0.015 0.000 1.055 482 V CA 0.150 62.459 62.300 0.015 0.000 1.050 482 V CB 1.391 33.225 31.823 0.019 0.000 0.984 482 V HN 1.027 nan 8.190 nan 0.000 0.482 483 S N 5.142 120.853 115.700 0.018 0.000 2.569 483 S HA 0.121 4.591 4.470 -0.000 0.000 0.274 483 S C -1.733 172.876 174.600 0.015 0.000 1.353 483 S CA -0.625 57.586 58.200 0.018 0.000 1.023 483 S CB 0.429 63.645 63.200 0.026 0.000 0.876 483 S HN 0.577 nan 8.310 nan 0.000 0.540 484 P HA -0.050 nan 4.420 nan 0.000 0.215 484 P C 1.638 178.941 177.300 0.005 0.000 1.153 484 P CA 1.922 65.027 63.100 0.008 0.000 0.853 484 P CB -0.244 31.460 31.700 0.005 0.000 0.788 485 A N -0.268 122.553 122.820 0.002 0.000 1.902 485 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 485 A C 2.481 180.063 177.584 -0.004 0.000 1.181 485 A CA 2.058 54.089 52.037 -0.010 0.000 0.623 485 A CB -1.871 17.118 19.000 -0.018 0.000 0.818 485 A HN 0.270 nan 8.150 nan 0.000 0.443 486 G N -0.323 108.484 108.800 0.012 0.000 2.418 486 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 486 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 486 G C 1.687 176.604 174.900 0.029 0.000 1.158 486 G CA 1.124 46.238 45.100 0.024 0.000 0.771 486 G HN 0.567 nan 8.290 nan 0.000 0.545 487 K N 0.230 120.645 120.400 0.024 0.000 2.026 487 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 487 K C 2.456 179.074 176.600 0.031 0.000 1.048 487 K CA 1.373 57.676 56.287 0.027 0.000 0.929 487 K CB -0.169 32.343 32.500 0.021 0.000 0.713 487 K HN 0.248 nan 8.250 nan 0.000 0.439 488 K N 1.387 121.800 120.400 0.022 0.000 2.063 488 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 488 K C 2.169 178.792 176.600 0.039 0.000 1.048 488 K CA 1.149 57.450 56.287 0.023 0.000 0.928 488 K CB -0.123 32.381 32.500 0.007 0.000 0.713 488 K HN 0.120 nan 8.250 nan 0.000 0.442 489 L N 0.610 121.854 121.223 0.035 0.000 2.027 489 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 489 L C 2.106 179.045 176.870 0.114 0.000 1.074 489 L CA 1.130 56.012 54.840 0.069 0.000 0.745 489 L CB -0.172 41.913 42.059 0.043 0.000 0.898 489 L HN 0.021 nan 8.230 nan 0.000 0.433 490 V N 0.062 120.029 119.914 0.089 0.000 2.343 490 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 490 V C 2.486 178.634 176.094 0.091 0.000 1.051 490 V CA 2.099 64.454 62.300 0.092 0.000 1.036 490 V CB -0.710 31.154 31.823 0.068 0.000 0.654 490 V HN 0.565 nan 8.190 nan 0.000 0.451 491 Q N -0.019 119.823 119.800 0.071 0.000 2.124 491 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 491 Q C 2.416 178.458 176.000 0.070 0.000 0.977 491 Q CA 1.717 57.556 55.803 0.061 0.000 0.850 491 Q CB -0.435 28.329 28.738 0.044 0.000 0.901 491 Q HN 0.676 nan 8.270 nan 0.000 0.429 492 A N 0.997 123.869 122.820 0.086 0.000 1.898 492 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 492 A C 2.084 179.741 177.584 0.123 0.000 1.181 492 A CA 1.000 53.095 52.037 0.096 0.000 0.620 492 A CB -0.611 18.463 19.000 0.123 0.000 0.819 492 A HN 0.270 nan 8.150 nan 0.000 0.442 493 L N -1.074 120.253 121.223 0.174 0.000 2.017 493 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 493 L C 2.677 179.697 176.870 0.251 0.000 1.073 493 L CA 0.986 55.979 54.840 0.255 0.000 0.745 493 L CB -0.441 41.744 42.059 0.211 0.000 0.894 493 L HN 0.266 nan 8.230 nan 0.000 0.432 494 R N 0.128 120.721 120.500 0.155 0.000 2.293 494 R HA -0.112 4.228 4.340 -0.000 0.000 0.219 494 R C 1.872 178.201 176.300 0.048 0.000 1.091 494 R CA 0.636 56.803 56.100 0.112 0.000 1.004 494 R CB -0.349 30.001 30.300 0.083 0.000 0.865 494 R HN 0.444 nan 8.270 nan 0.000 0.469 495 E N 0.221 120.437 120.200 0.026 0.000 2.208 495 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 495 E C 1.304 177.836 176.600 -0.113 0.000 0.988 495 E CA 0.882 57.264 56.400 -0.030 0.000 0.828 495 E CB 0.376 30.061 29.700 -0.024 0.000 0.763 495 E HN 0.320 nan 8.360 nan 0.000 0.478 496 Q N -1.344 118.340 119.800 -0.193 0.000 2.245 496 Q HA 0.147 4.487 4.340 -0.000 0.000 0.250 496 Q C -0.262 175.269 176.000 -0.782 0.000 0.830 496 Q CA 0.147 55.635 55.803 -0.525 0.000 0.950 496 Q CB 0.828 29.105 28.738 -0.768 0.000 1.124 496 Q HN 0.086 nan 8.270 nan 0.000 0.502 497 F N 3.296 123.240 119.950 -0.011 0.000 2.500 497 F HA 0.397 4.924 4.527 -0.000 0.000 0.349 497 F C -2.094 173.720 175.800 0.024 0.000 1.127 497 F CA -2.475 55.530 58.000 0.008 0.000 0.998 497 F CB 1.498 40.507 39.000 0.015 0.000 1.237 497 F HN -0.171 nan 8.300 nan 0.000 0.439 498 P HA 0.136 nan 4.420 nan 0.000 0.272 498 P C -2.528 174.845 177.300 0.122 0.000 1.230 498 P CA -1.121 62.035 63.100 0.094 0.000 0.788 498 P CB 0.312 32.040 31.700 0.047 0.000 0.949 499 P HA 0.067 nan 4.420 nan 0.000 0.270 499 P C -0.339 177.012 177.300 0.085 0.000 1.223 499 P CA -0.213 62.953 63.100 0.109 0.000 0.785 499 P CB 0.436 32.185 31.700 0.082 0.000 0.923 500 L N 2.174 123.452 121.223 0.092 0.000 2.358 500 L HA 0.159 4.499 4.340 -0.000 0.000 0.274 500 L C 1.235 178.113 176.870 0.013 0.000 1.136 500 L CA 0.445 55.285 54.840 0.001 0.000 0.970 500 L CB -0.728 41.245 42.059 -0.143 0.000 1.314 500 L HN 0.309 nan 8.230 nan 0.000 0.427 501 E N 1.121 121.330 120.200 0.015 0.000 2.299 501 E HA 0.039 4.389 4.350 -0.000 0.000 0.193 501 E C 0.120 176.731 176.600 0.018 0.000 0.998 501 E CA 0.426 56.838 56.400 0.020 0.000 0.851 501 E CB 0.431 30.143 29.700 0.020 0.000 0.795 501 E HN 0.572 nan 8.360 nan 0.000 0.492 502 T N 0.369 114.923 114.554 0.000 0.000 3.012 502 T HA 0.085 4.435 4.350 -0.000 0.000 0.330 502 T C -1.808 172.871 174.700 -0.035 0.000 1.321 502 T CA -0.991 61.108 62.100 -0.001 0.000 1.067 502 T CB 1.273 70.142 68.868 0.001 0.000 1.235 502 T HN -0.217 nan 8.240 nan 0.000 0.479 503 D N 3.137 123.512 120.400 -0.042 0.000 2.571 503 D HA 0.275 4.915 4.640 -0.000 0.000 0.231 503 D C 0.647 176.905 176.300 -0.070 0.000 1.133 503 D CA 0.839 54.793 54.000 -0.078 0.000 0.862 503 D CB 0.328 41.088 40.800 -0.067 0.000 1.179 503 D HN 0.716 nan 8.370 nan 0.000 0.474 504 R N 0.490 120.936 120.500 -0.090 0.000 2.710 504 R HA 0.628 4.968 4.340 -0.000 0.000 0.270 504 R C -3.133 173.129 176.300 -0.062 0.000 1.021 504 R CA -1.722 54.341 56.100 -0.061 0.000 0.889 504 R CB 0.307 30.581 30.300 -0.045 0.000 1.243 504 R HN -0.003 nan 8.270 nan 0.000 0.464 505 P HA 0.132 nan 4.420 nan 0.000 0.267 505 P C -0.294 176.997 177.300 -0.015 0.000 1.209 505 P CA -0.194 62.890 63.100 -0.026 0.000 0.763 505 P CB 0.591 32.283 31.700 -0.014 0.000 0.816 506 L N 1.812 123.027 121.223 -0.014 0.000 2.638 506 L HA 0.158 4.498 4.340 -0.000 0.000 0.232 506 L C 2.344 179.231 176.870 0.028 0.000 1.099 506 L CA 0.444 55.291 54.840 0.012 0.000 0.883 506 L CB -0.367 41.695 42.059 0.006 0.000 1.136 506 L HN 0.530 nan 8.230 nan 0.000 0.492 507 G N 0.197 109.008 108.800 0.017 0.000 2.513 507 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.219 507 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.219 507 G C 1.420 176.336 174.900 0.027 0.000 1.160 507 G CA 0.773 45.884 45.100 0.019 0.000 0.767 507 G HN 0.382 nan 8.290 nan 0.000 0.571 508 Q N -0.186 119.636 119.800 0.036 0.000 2.119 508 Q HA -0.053 4.287 4.340 -0.000 0.000 0.201 508 Q C 2.527 178.580 176.000 0.087 0.000 0.972 508 Q CA 1.143 56.975 55.803 0.048 0.000 0.847 508 Q CB -0.081 28.681 28.738 0.041 0.000 0.903 508 Q HN 0.630 nan 8.270 nan 0.000 0.433 509 E N 0.605 120.875 120.200 0.116 0.000 2.072 509 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 509 E C 1.976 178.612 176.600 0.060 0.000 0.985 509 E CA 0.772 57.305 56.400 0.221 0.000 0.801 509 E CB -0.028 29.822 29.700 0.251 0.000 0.750 509 E HN 0.340 nan 8.360 nan 0.000 0.452 510 I N 1.169 121.736 120.570 -0.005 0.000 2.179 510 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 510 I C 2.584 178.670 176.117 -0.051 0.000 1.088 510 I CA 1.063 62.323 61.300 -0.066 0.000 1.357 510 I CB -0.356 37.629 38.000 -0.025 0.000 1.051 510 I HN 0.087 nan 8.210 nan 0.000 0.409 511 A N 0.716 123.535 122.820 -0.002 0.000 1.908 511 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 511 A C 2.527 180.126 177.584 0.024 0.000 1.181 511 A CA 1.980 54.022 52.037 0.007 0.000 0.627 511 A CB -0.852 18.160 19.000 0.021 0.000 0.818 511 A HN 0.452 nan 8.150 nan 0.000 0.445 512 A N -0.737 122.127 122.820 0.073 0.000 1.898 512 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 512 A C 2.114 179.783 177.584 0.141 0.000 1.181 512 A CA 1.678 53.792 52.037 0.129 0.000 0.620 512 A CB -0.545 18.581 19.000 0.211 0.000 0.819 512 A HN 0.653 nan 8.150 nan 0.000 0.442 513 L N -0.203 121.049 121.223 0.048 0.000 2.056 513 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 513 L C 2.646 179.429 176.870 -0.144 0.000 1.078 513 L CA 2.039 56.808 54.840 -0.120 0.000 0.749 513 L CB -0.932 40.794 42.059 -0.556 0.000 0.901 513 L HN 0.337 nan 8.230 nan 0.000 0.433 514 A N -1.416 121.318 122.820 -0.144 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 -0.106 0.000 1.181 514 A CA 2.458 54.402 52.037 -0.155 0.000 0.627 514 A CB -1.284 17.658 19.000 -0.096 0.000 0.818 514 A HN 0.514 nan 8.150 nan 0.000 0.445 515 T N -1.467 113.070 114.554 -0.029 0.000 2.746 515 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 515 T C 1.868 176.573 174.700 0.009 0.000 1.039 515 T CA 1.921 64.025 62.100 0.006 0.000 1.142 515 T CB -0.404 68.488 68.868 0.041 0.000 0.866 515 T HN 0.803 nan 8.240 nan 0.000 0.444 516 H N 1.163 120.192 119.070 -0.069 0.000 2.357 516 H HA 0.103 4.659 4.556 -0.000 0.000 0.301 516 H C 2.009 177.258 175.328 -0.131 0.000 1.082 516 H CA 1.222 57.232 56.048 -0.063 0.000 1.342 516 H CB -0.525 29.226 29.762 -0.019 0.000 1.389 516 H HN 0.242 nan 8.280 nan 0.000 0.511 517 L N -0.075 120.936 121.223 -0.354 0.000 2.127 517 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 517 L C 2.320 179.016 176.870 -0.289 0.000 1.089 517 L CA 1.047 55.533 54.840 -0.589 0.000 0.757 517 L CB -0.512 41.033 42.059 -0.856 0.000 0.899 517 L HN 0.331 nan 8.230 nan 0.000 0.434 518 L N -0.774 120.328 121.223 -0.200 0.000 2.376 518 L HA -0.156 4.184 4.340 -0.000 0.000 0.219 518 L C 2.250 179.085 176.870 -0.058 0.000 1.133 518 L CA 0.965 55.757 54.840 -0.079 0.000 0.816 518 L CB -0.197 41.850 42.059 -0.020 0.000 0.933 518 L HN 0.388 nan 8.230 nan 0.000 0.449 519 Q N -1.520 118.156 119.800 -0.206 0.000 2.316 519 Q HA 0.191 4.531 4.340 -0.000 0.000 0.235 519 Q C 0.023 175.605 176.000 -0.696 0.000 0.863 519 Q CA 0.097 55.749 55.803 -0.252 0.000 0.939 519 Q CB 0.991 29.688 28.738 -0.068 0.000 1.108 519 Q HN 0.449 nan 8.270 nan 0.000 0.522 520 Q N -0.071 119.281 119.800 -0.746 0.000 2.416 520 Q HA 0.482 4.822 4.340 -0.000 0.000 0.281 520 Q C -1.230 174.640 176.000 -0.218 0.000 1.067 520 Q CA -0.448 54.987 55.803 -0.614 0.000 0.809 520 Q CB 2.681 31.191 28.738 -0.380 0.000 1.418 520 Q HN -0.064 nan 8.270 nan 0.000 0.411 521 S N 1.846 117.486 115.700 -0.101 0.000 2.690 521 S HA 0.563 5.033 4.470 -0.000 0.000 0.291 521 S C -2.426 171.952 174.600 -0.370 0.000 1.138 521 S CA -1.176 56.910 58.200 -0.189 0.000 1.013 521 S CB 0.972 64.116 63.200 -0.094 0.000 1.053 521 S HN 0.421 nan 8.310 nan 0.000 0.539 522 P HA 0.354 nan 4.420 nan 0.000 0.277 522 P C -1.060 176.041 177.300 -0.332 0.000 1.354 522 P CA -0.008 62.682 63.100 -0.684 0.000 0.891 522 P CB 0.237 31.236 31.700 -1.167 0.000 1.058 523 V N 0.000 119.817 119.914 -0.162 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.241 62.300 -0.098 0.000 1.235 523 V CB 0.000 31.780 31.823 -0.071 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556