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 2o6y_1_F DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.515 32.500 0.026 0.000 1.064 9 P HA 0.123 nan 4.420 nan 0.000 0.266 9 P C -1.245 176.065 177.300 0.016 0.000 1.193 9 P CA -0.076 63.036 63.100 0.020 0.000 0.770 9 P CB 0.528 32.243 31.700 0.025 0.000 0.836 10 A N 2.241 125.068 122.820 0.013 0.000 2.342 10 A HA 0.564 4.884 4.320 0.000 0.000 0.323 10 A C -0.873 176.715 177.584 0.007 0.000 1.125 10 A CA -0.591 51.451 52.037 0.008 0.000 0.785 10 A CB 1.162 20.166 19.000 0.006 0.000 1.221 10 A HN 0.343 nan 8.150 nan 0.000 0.463 11 V N 2.444 122.359 119.914 0.002 0.000 2.347 11 V HA 0.296 4.416 4.120 0.000 0.000 0.280 11 V C 0.202 176.294 176.094 -0.003 0.000 1.021 11 V CA -0.378 61.922 62.300 -0.000 0.000 0.847 11 V CB 1.251 33.069 31.823 -0.007 0.000 0.990 11 V HN 0.975 nan 8.190 nan 0.000 0.444 12 E N 4.461 124.661 120.200 0.001 0.000 2.167 12 E HA 0.394 4.744 4.350 0.000 0.000 0.284 12 E C -1.024 175.575 176.600 -0.001 0.000 1.016 12 E CA -0.776 55.624 56.400 0.000 0.000 0.817 12 E CB 1.366 31.069 29.700 0.004 0.000 1.080 12 E HN 0.555 nan 8.360 nan 0.000 0.397 13 L N 5.541 126.760 121.223 -0.007 0.000 2.257 13 L HA 0.296 4.636 4.340 0.000 0.000 0.290 13 L C -0.277 176.591 176.870 -0.003 0.000 1.044 13 L CA 0.387 55.221 54.840 -0.010 0.000 0.810 13 L CB 1.193 43.239 42.059 -0.021 0.000 1.193 13 L HN 0.730 nan 8.230 nan 0.000 0.425 14 D N 2.907 123.310 120.400 0.006 0.000 3.136 14 D HA 0.183 4.823 4.640 0.000 0.000 0.254 14 D C 1.335 177.644 176.300 0.015 0.000 1.563 14 D CA 0.877 54.883 54.000 0.011 0.000 1.225 14 D CB 0.712 41.522 40.800 0.017 0.000 1.079 14 D HN 0.590 nan 8.370 nan 0.000 0.314 15 R N -1.840 118.680 120.500 0.033 0.000 2.320 15 R HA 0.232 4.572 4.340 0.000 0.000 0.193 15 R C 0.137 176.482 176.300 0.075 0.000 0.885 15 R CA -0.186 55.941 56.100 0.045 0.000 1.085 15 R CB 0.732 31.062 30.300 0.050 0.000 1.253 15 R HN 0.188 nan 8.270 nan 0.000 0.636 16 H N 0.263 119.326 119.070 -0.012 0.000 2.572 16 H HA 0.575 5.132 4.556 0.000 0.000 0.359 16 H C -1.492 173.830 175.328 -0.010 0.000 1.134 16 H CA -0.722 55.319 56.048 -0.013 0.000 1.187 16 H CB 1.617 31.371 29.762 -0.012 0.000 1.597 16 H HN 0.008 nan 8.280 nan 0.000 0.524 17 I N 4.236 124.479 120.570 -0.545 0.000 2.619 17 I HA 0.270 4.441 4.170 0.000 0.000 0.292 17 I C -1.188 174.669 176.117 -0.434 0.000 1.100 17 I CA -0.859 60.258 61.300 -0.304 0.000 1.043 17 I CB 1.556 39.451 38.000 -0.174 0.000 1.239 17 I HN 0.848 nan 8.210 nan 0.000 0.420 18 D N 5.941 126.258 120.400 -0.139 0.000 2.432 18 D HA 0.228 4.868 4.640 0.000 0.000 0.258 18 D C 0.983 177.264 176.300 -0.032 0.000 1.146 18 D CA -0.574 53.400 54.000 -0.044 0.000 1.015 18 D CB 0.990 41.836 40.800 0.077 0.000 1.107 18 D HN 0.503 nan 8.370 nan 0.000 0.529 19 L N -0.379 120.846 121.223 0.004 0.000 2.079 19 L HA -0.150 4.190 4.340 0.000 0.000 0.210 19 L C 1.473 178.385 176.870 0.070 0.000 1.081 19 L CA 1.408 56.267 54.840 0.031 0.000 0.752 19 L CB -0.475 41.612 42.059 0.047 0.000 0.896 19 L HN 0.446 nan 8.230 nan 0.000 0.433 20 D N -0.255 120.188 120.400 0.071 0.000 2.117 20 D HA -0.170 4.471 4.640 0.000 0.000 0.198 20 D C 2.337 178.687 176.300 0.083 0.000 0.982 20 D CA 1.044 55.105 54.000 0.101 0.000 0.828 20 D CB -0.104 40.745 40.800 0.082 0.000 0.967 20 D HN 0.397 nan 8.370 nan 0.000 0.464 21 Q N 0.306 120.132 119.800 0.044 0.000 2.084 21 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 21 Q C 2.214 178.215 176.000 0.003 0.000 0.978 21 Q CA 1.359 57.174 55.803 0.021 0.000 0.844 21 Q CB -0.095 28.645 28.738 0.003 0.000 0.898 21 Q HN 0.207 nan 8.270 nan 0.000 0.426 22 A N 0.806 123.623 122.820 -0.004 0.000 1.902 22 A HA -0.239 4.081 4.320 0.000 0.000 0.217 22 A C 1.954 179.521 177.584 -0.028 0.000 1.181 22 A CA 1.595 53.616 52.037 -0.027 0.000 0.623 22 A CB -0.822 18.160 19.000 -0.030 0.000 0.818 22 A HN 0.447 nan 8.150 nan 0.000 0.443 23 H N -0.008 119.016 119.070 -0.076 0.000 2.389 23 H HA 0.010 4.566 4.556 0.000 0.000 0.299 23 H C 2.259 177.507 175.328 -0.133 0.000 1.081 23 H CA 1.460 57.424 56.048 -0.140 0.000 1.345 23 H CB -0.157 29.441 29.762 -0.274 0.000 1.393 23 H HN 0.408 nan 8.280 nan 0.000 0.520 24 A N 0.500 123.318 122.820 -0.003 0.000 1.908 24 A HA -0.118 4.202 4.320 0.000 0.000 0.218 24 A C 2.835 180.378 177.584 -0.068 0.000 1.181 24 A CA 1.731 53.765 52.037 -0.006 0.000 0.627 24 A CB -0.875 18.148 19.000 0.038 0.000 0.818 24 A HN 0.294 nan 8.150 nan 0.000 0.445 25 V N -0.350 119.515 119.914 -0.081 0.000 2.323 25 V HA -0.176 3.944 4.120 0.000 0.000 0.244 25 V C 3.049 179.044 176.094 -0.164 0.000 1.041 25 V CA 1.785 64.029 62.300 -0.093 0.000 1.025 25 V CB -1.210 30.565 31.823 -0.081 0.000 0.656 25 V HN 0.605 nan 8.190 nan 0.000 0.451 26 A N 0.795 123.478 122.820 -0.229 0.000 1.933 26 A HA -0.194 4.126 4.320 0.000 0.000 0.218 26 A C 2.395 179.755 177.584 -0.373 0.000 1.175 26 A CA 2.211 54.058 52.037 -0.317 0.000 0.628 26 A CB -0.636 18.185 19.000 -0.298 0.000 0.814 26 A HN 0.691 nan 8.150 nan 0.000 0.444 27 S N -2.126 113.373 115.700 -0.334 0.000 2.593 27 S HA 0.375 4.845 4.470 0.000 0.000 0.217 27 S C 1.418 176.138 174.600 0.200 0.000 0.966 27 S CA 1.044 59.197 58.200 -0.077 0.000 0.914 27 S CB -0.247 62.802 63.200 -0.251 0.000 0.776 27 S HN 1.925 nan 8.310 nan 0.000 0.523 28 G N 0.418 109.260 108.800 0.070 0.000 2.179 28 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 28 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 28 G C 0.905 175.869 174.900 0.106 0.000 0.977 28 G CA 0.150 45.350 45.100 0.167 0.000 0.641 28 G HN 0.961 nan 8.290 nan 0.000 0.533 29 G N -0.182 108.658 108.800 0.066 0.000 2.448 29 G HA2 0.502 4.462 3.960 0.000 0.000 0.218 29 G HA3 0.502 4.462 3.960 0.000 0.000 0.218 29 G C 0.723 175.649 174.900 0.043 0.000 1.135 29 G CA 1.823 46.959 45.100 0.060 0.000 0.784 29 G HN 1.822 nan 8.290 nan 0.000 0.543 30 A N -0.241 122.594 122.820 0.025 0.000 2.454 30 A HA 0.750 5.071 4.320 0.000 0.000 0.302 30 A C 0.044 177.632 177.584 0.006 0.000 1.079 30 A CA -0.910 51.137 52.037 0.017 0.000 0.731 30 A CB 1.289 20.296 19.000 0.012 0.000 1.299 30 A HN 0.412 nan 8.150 nan 0.000 0.413 31 R N 1.030 121.534 120.500 0.007 0.000 2.553 31 R HA 0.815 5.155 4.340 0.000 0.000 0.263 31 R C -0.834 175.460 176.300 -0.008 0.000 1.066 31 R CA -0.515 55.585 56.100 -0.000 0.000 1.135 31 R CB 0.985 31.288 30.300 0.005 0.000 1.148 31 R HN 0.634 nan 8.270 nan 0.000 0.558 32 I N 1.291 121.852 120.570 -0.014 0.000 2.569 32 I HA 0.442 4.612 4.170 0.000 0.000 0.296 32 I C -1.141 174.967 176.117 -0.014 0.000 1.028 32 I CA -1.207 60.082 61.300 -0.018 0.000 1.082 32 I CB 2.238 40.220 38.000 -0.030 0.000 1.264 32 I HN 0.642 nan 8.210 nan 0.000 0.429 33 V N 4.992 124.899 119.914 -0.012 0.000 2.760 33 V HA 0.554 4.674 4.120 0.000 0.000 0.309 33 V C -1.209 174.879 176.094 -0.010 0.000 1.077 33 V CA -0.881 61.414 62.300 -0.009 0.000 0.910 33 V CB 1.664 33.484 31.823 -0.005 0.000 1.008 33 V HN 0.668 nan 8.190 nan 0.000 0.424 34 L N 4.747 125.964 121.223 -0.011 0.000 2.281 34 L HA 0.810 5.150 4.340 0.000 0.000 0.285 34 L C 0.835 177.701 176.870 -0.007 0.000 1.074 34 L CA 0.456 55.289 54.840 -0.011 0.000 0.817 34 L CB 0.705 42.756 42.059 -0.013 0.000 1.168 34 L HN 1.145 nan 8.230 nan 0.000 0.434 35 A N 6.819 129.637 122.820 -0.005 0.000 2.425 35 A HA 0.408 4.728 4.320 0.000 0.000 0.242 35 A C -1.621 175.961 177.584 -0.003 0.000 1.077 35 A CA -0.864 51.172 52.037 -0.002 0.000 0.781 35 A CB -0.279 18.722 19.000 0.002 0.000 1.020 35 A HN 0.786 nan 8.150 nan 0.000 0.494 36 P HA -0.147 nan 4.420 nan 0.000 0.216 36 P C -1.463 175.836 177.300 -0.003 0.000 1.154 36 P CA 1.817 64.915 63.100 -0.003 0.000 0.865 36 P CB -0.737 30.961 31.700 -0.002 0.000 0.789 37 P HA -0.134 nan 4.420 nan 0.000 0.218 37 P C 1.369 178.669 177.300 -0.000 0.000 1.149 37 P CA 1.884 64.984 63.100 0.000 0.000 0.817 37 P CB -0.576 31.126 31.700 0.003 0.000 0.785 38 A N -0.278 122.541 122.820 -0.001 0.000 1.897 38 A HA -0.167 4.153 4.320 0.000 0.000 0.215 38 A C 2.397 179.976 177.584 -0.007 0.000 1.181 38 A CA 1.341 53.377 52.037 -0.003 0.000 0.620 38 A CB -1.103 17.894 19.000 -0.004 0.000 0.821 38 A HN 0.004 nan 8.150 nan 0.000 0.443 39 R N -0.224 120.270 120.500 -0.009 0.000 2.091 39 R HA -0.178 4.162 4.340 0.000 0.000 0.238 39 R C 1.358 177.650 176.300 -0.014 0.000 1.136 39 R CA 1.973 58.065 56.100 -0.013 0.000 0.959 39 R CB -0.316 29.977 30.300 -0.013 0.000 0.856 39 R HN 0.454 nan 8.270 nan 0.000 0.437 40 D N 0.048 120.442 120.400 -0.010 0.000 2.117 40 D HA -0.172 4.468 4.640 0.000 0.000 0.198 40 D C 1.986 178.281 176.300 -0.008 0.000 0.982 40 D CA 1.521 55.515 54.000 -0.009 0.000 0.828 40 D CB -0.214 40.583 40.800 -0.006 0.000 0.967 40 D HN 0.466 nan 8.370 nan 0.000 0.464 41 R N 0.323 120.820 120.500 -0.005 0.000 2.148 41 R HA 0.012 4.352 4.340 0.000 0.000 0.223 41 R C 2.031 178.329 176.300 -0.004 0.000 1.088 41 R CA 1.014 57.114 56.100 -0.001 0.000 0.985 41 R CB -0.799 29.503 30.300 0.004 0.000 0.880 41 R HN 0.085 nan 8.270 nan 0.000 0.451 42 C N 0.788 120.083 119.300 -0.010 0.000 2.457 42 C HA 0.162 4.622 4.460 0.000 0.000 0.278 42 C C 2.604 177.576 174.990 -0.030 0.000 1.309 42 C CA 0.369 59.377 59.018 -0.016 0.000 1.735 42 C CB -0.766 26.962 27.740 -0.020 0.000 1.992 42 C HN 0.531 nan 8.230 nan 0.000 0.493 43 R N 1.076 121.558 120.500 -0.031 0.000 2.096 43 R HA -0.086 4.254 4.340 0.000 0.000 0.235 43 R C 2.360 178.638 176.300 -0.036 0.000 1.127 43 R CA 1.530 57.607 56.100 -0.039 0.000 0.968 43 R CB -0.395 29.887 30.300 -0.030 0.000 0.861 43 R HN 0.538 nan 8.270 nan 0.000 0.440 44 A N 0.116 122.922 122.820 -0.023 0.000 1.902 44 A HA -0.171 4.149 4.320 0.000 0.000 0.217 44 A C 2.164 179.732 177.584 -0.026 0.000 1.181 44 A CA 1.794 53.820 52.037 -0.019 0.000 0.623 44 A CB -0.554 18.442 19.000 -0.007 0.000 0.818 44 A HN 0.287 nan 8.150 nan 0.000 0.443 45 S N -0.877 114.809 115.700 -0.023 0.000 2.383 45 S HA -0.178 4.292 4.470 0.000 0.000 0.227 45 S C 2.012 176.555 174.600 -0.095 0.000 1.026 45 S CA 1.497 59.679 58.200 -0.030 0.000 0.981 45 S CB -0.316 62.891 63.200 0.012 0.000 0.818 45 S HN 0.677 nan 8.310 nan 0.000 0.472 46 E N 0.374 120.522 120.200 -0.087 0.000 2.077 46 E HA -0.133 4.217 4.350 0.000 0.000 0.193 46 E C 2.058 178.593 176.600 -0.108 0.000 0.989 46 E CA 1.082 57.413 56.400 -0.114 0.000 0.800 46 E CB -0.336 29.295 29.700 -0.114 0.000 0.746 46 E HN 0.596 nan 8.360 nan 0.000 0.452 47 A N 1.198 123.972 122.820 -0.077 0.000 1.930 47 A HA -0.138 4.182 4.320 0.000 0.000 0.217 47 A C 2.143 179.679 177.584 -0.080 0.000 1.175 47 A CA 1.157 53.159 52.037 -0.059 0.000 0.627 47 A CB -0.375 18.603 19.000 -0.036 0.000 0.815 47 A HN 0.164 nan 8.150 nan 0.000 0.443 48 R N -1.161 119.279 120.500 -0.100 0.000 2.096 48 R HA -0.110 4.231 4.340 0.000 0.000 0.235 48 R C 2.099 178.258 176.300 -0.236 0.000 1.127 48 R CA 1.428 57.458 56.100 -0.117 0.000 0.968 48 R CB -0.559 29.695 30.300 -0.077 0.000 0.861 48 R HN 0.506 nan 8.270 nan 0.000 0.440 49 L N 0.502 121.498 121.223 -0.379 0.000 2.046 49 L HA -0.015 4.325 4.340 0.000 0.000 0.208 49 L C 2.121 178.853 176.870 -0.230 0.000 1.077 49 L CA 2.081 56.611 54.840 -0.517 0.000 0.747 49 L CB -0.980 40.772 42.059 -0.511 0.000 0.896 49 L HN 0.154 nan 8.230 nan 0.000 0.432 50 G N -0.947 107.772 108.800 -0.135 0.000 2.440 50 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 50 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 50 G C 1.583 176.455 174.900 -0.047 0.000 1.154 50 G CA 0.855 45.919 45.100 -0.059 0.000 0.767 50 G HN 0.647 nan 8.290 nan 0.000 0.552 51 A N -0.032 122.756 122.820 -0.053 0.000 1.930 51 A HA 0.152 4.473 4.320 0.000 0.000 0.217 51 A C 2.583 180.160 177.584 -0.011 0.000 1.175 51 A CA 1.612 53.634 52.037 -0.024 0.000 0.627 51 A CB -0.514 18.475 19.000 -0.018 0.000 0.815 51 A HN 0.242 nan 8.150 nan 0.000 0.443 52 V N 0.255 120.151 119.914 -0.030 0.000 2.343 52 V HA -0.266 3.854 4.120 0.000 0.000 0.247 52 V C 2.397 178.512 176.094 0.034 0.000 1.051 52 V CA 2.068 64.381 62.300 0.022 0.000 1.036 52 V CB -0.596 31.244 31.823 0.029 0.000 0.654 52 V HN 0.577 nan 8.190 nan 0.000 0.451 53 I N -0.516 120.055 120.570 0.003 0.000 2.286 53 I HA -0.204 3.966 4.170 0.000 0.000 0.245 53 I C 2.716 178.841 176.117 0.014 0.000 1.104 53 I CA 1.501 62.810 61.300 0.015 0.000 1.397 53 I CB -0.450 37.550 38.000 0.000 0.000 1.072 53 I HN 0.202 nan 8.210 nan 0.000 0.417 54 R N 1.460 121.963 120.500 0.005 0.000 2.091 54 R HA -0.202 4.138 4.340 0.000 0.000 0.238 54 R C 1.700 178.008 176.300 0.012 0.000 1.136 54 R CA 1.768 57.871 56.100 0.005 0.000 0.959 54 R CB -0.077 30.223 30.300 0.000 0.000 0.856 54 R HN 0.427 nan 8.270 nan 0.000 0.437 55 E N -0.546 119.667 120.200 0.020 0.000 2.489 55 E HA 0.095 4.445 4.350 0.000 0.000 0.193 55 E C 0.329 176.951 176.600 0.036 0.000 1.057 55 E CA 0.390 56.807 56.400 0.028 0.000 0.866 55 E CB 0.459 30.179 29.700 0.034 0.000 0.916 55 E HN 0.463 nan 8.360 nan 0.000 0.500 56 A N 2.057 124.899 122.820 0.038 0.000 2.822 56 A HA -0.229 4.091 4.320 0.000 0.000 0.287 56 A C 0.093 177.718 177.584 0.067 0.000 1.479 56 A CA 0.548 52.611 52.037 0.042 0.000 0.779 56 A CB -1.359 17.655 19.000 0.023 0.000 1.022 56 A HN 0.141 nan 8.150 nan 0.000 0.532 57 R N 0.127 120.683 120.500 0.094 0.000 2.643 57 R HA 0.113 4.453 4.340 0.000 0.000 0.270 57 R C 0.542 176.956 176.300 0.190 0.000 1.061 57 R CA -0.081 56.099 56.100 0.133 0.000 1.107 57 R CB 0.114 30.502 30.300 0.147 0.000 0.999 57 R HN 0.719 nan 8.270 nan 0.000 0.460 58 H N 1.764 120.875 119.070 0.068 0.000 3.160 58 H HA 0.225 4.781 4.556 0.000 0.000 0.257 58 H C -0.938 174.457 175.328 0.111 0.000 1.140 58 H CA -0.387 55.691 56.048 0.051 0.000 1.492 58 H CB 0.211 29.977 29.762 0.007 0.000 1.529 58 H HN 0.044 nan 8.280 nan 0.000 0.490 59 V N 6.429 126.524 119.914 0.302 0.000 2.686 59 V HA -0.002 4.118 4.120 0.000 0.000 0.306 59 V C -0.752 175.556 176.094 0.357 0.000 1.065 59 V CA -1.006 61.508 62.300 0.355 0.000 0.894 59 V CB 1.333 33.363 31.823 0.345 0.000 1.004 59 V HN 0.660 nan 8.190 nan 0.000 0.424 60 Y N 3.816 124.347 120.300 0.385 0.000 2.805 60 Y HA 0.354 4.904 4.550 0.000 0.000 0.331 60 Y C 1.363 177.346 175.900 0.137 0.000 1.241 60 Y CA 1.883 60.101 58.100 0.197 0.000 1.546 60 Y CB 0.487 39.113 38.460 0.277 0.000 1.248 60 Y HN 1.067 nan 8.280 nan 0.000 0.559 61 G N 4.082 112.597 108.800 -0.475 0.000 2.199 61 G HA2 -0.293 3.667 3.960 0.000 0.000 0.254 61 G HA3 -0.293 3.667 3.960 0.000 0.000 0.254 61 G C 0.582 175.459 174.900 -0.038 0.000 0.982 61 G CA 0.554 45.492 45.100 -0.270 0.000 0.632 61 G HN 0.670 nan 8.290 nan 0.000 0.529 62 L N -0.287 120.940 121.223 0.008 0.000 2.547 62 L HA 0.284 4.624 4.340 0.000 0.000 0.218 62 L C 2.164 179.042 176.870 0.013 0.000 1.048 62 L CA 1.525 56.398 54.840 0.055 0.000 0.859 62 L CB 0.422 42.559 42.059 0.131 0.000 1.128 62 L HN 0.420 nan 8.230 nan 0.000 0.483 63 T N -3.841 110.720 114.554 0.012 0.000 3.332 63 T HA 0.197 4.547 4.350 0.000 0.000 0.304 63 T C 0.248 174.920 174.700 -0.047 0.000 0.971 63 T CA 0.058 62.155 62.100 -0.003 0.000 0.954 63 T CB 0.052 68.950 68.868 0.049 0.000 1.175 63 T HN 0.201 nan 8.240 nan 0.000 0.519 64 T N -1.867 112.602 114.554 -0.142 0.000 2.864 64 T HA 0.770 5.120 4.350 0.000 0.000 0.299 64 T C 0.477 174.880 174.700 -0.495 0.000 1.166 64 T CA -0.317 61.663 62.100 -0.201 0.000 1.007 64 T CB 1.459 70.295 68.868 -0.053 0.000 1.219 64 T HN 0.287 nan 8.240 nan 0.000 0.506 65 G N -0.076 108.482 108.800 -0.402 0.000 2.588 65 G HA2 0.566 4.527 3.960 0.000 0.000 0.278 65 G HA3 0.566 4.527 3.960 0.000 0.000 0.278 65 G C -1.035 173.413 174.900 -0.753 0.000 1.307 65 G CA -0.808 43.977 45.100 -0.525 0.000 1.016 65 G HN 0.558 nan 8.290 nan 0.000 0.503 66 F N -0.725 119.165 119.950 -0.100 0.000 2.483 66 F HA 0.604 5.131 4.527 0.000 0.000 0.329 66 F C 1.200 177.088 175.800 0.146 0.000 1.064 66 F CA 0.449 58.436 58.000 -0.022 0.000 0.986 66 F CB 1.356 40.369 39.000 0.021 0.000 1.218 66 F HN 1.022 nan 8.300 nan 0.000 0.484 67 G N 1.839 110.945 108.800 0.510 0.000 2.596 67 G HA2 -0.286 3.674 3.960 0.000 0.000 0.295 67 G HA3 -0.286 3.674 3.960 0.000 0.000 0.295 67 G C -1.912 173.105 174.900 0.195 0.000 1.240 67 G CA -0.104 45.162 45.100 0.277 0.000 0.985 67 G HN 0.517 nan 8.290 nan 0.000 0.555 68 P HA 0.125 nan 4.420 nan 0.000 0.230 68 P C 1.720 179.057 177.300 0.063 0.000 1.158 68 P CA 0.778 63.924 63.100 0.077 0.000 0.769 68 P CB -0.069 31.662 31.700 0.052 0.000 0.807 69 L N -1.565 119.695 121.223 0.062 0.000 2.627 69 L HA 0.149 4.489 4.340 0.000 0.000 0.233 69 L C 1.984 178.856 176.870 0.002 0.000 1.144 69 L CA 0.088 54.940 54.840 0.020 0.000 0.892 69 L CB -0.674 41.386 42.059 0.000 0.000 1.039 69 L HN -0.037 nan 8.230 nan 0.000 0.442 70 A N 1.241 124.096 122.820 0.059 0.000 2.172 70 A HA -0.157 4.163 4.320 0.000 0.000 0.216 70 A C 1.970 179.588 177.584 0.056 0.000 1.154 70 A CA 1.267 53.344 52.037 0.067 0.000 0.701 70 A CB -0.483 18.662 19.000 0.241 0.000 0.789 70 A HN 0.644 nan 8.150 nan 0.000 0.465 71 N N -0.555 118.168 118.700 0.039 0.000 2.515 71 N HA -0.037 4.703 4.740 0.000 0.000 0.185 71 N C 0.019 175.521 175.510 -0.014 0.000 1.109 71 N CA 0.236 53.300 53.050 0.024 0.000 0.903 71 N CB -0.185 38.314 38.487 0.021 0.000 0.969 71 N HN 0.160 nan 8.380 nan 0.000 0.450 72 R N 1.097 121.579 120.500 -0.029 0.000 2.205 72 R HA 0.382 4.722 4.340 0.000 0.000 0.342 72 R C -0.181 176.074 176.300 -0.076 0.000 1.058 72 R CA -0.288 55.782 56.100 -0.051 0.000 0.904 72 R CB 0.564 30.833 30.300 -0.052 0.000 1.089 72 R HN 0.159 nan 8.270 nan 0.000 0.471 73 L N 3.896 125.069 121.223 -0.083 0.000 2.417 73 L HA 0.325 4.665 4.340 0.000 0.000 0.268 73 L C 0.186 177.004 176.870 -0.086 0.000 1.158 73 L CA -0.254 54.524 54.840 -0.103 0.000 0.819 73 L CB 0.510 42.486 42.059 -0.137 0.000 1.112 73 L HN 0.344 nan 8.230 nan 0.000 0.458 74 I N 1.285 121.804 120.570 -0.085 0.000 2.530 74 I HA 0.231 4.401 4.170 0.000 0.000 0.297 74 I C 0.289 176.377 176.117 -0.048 0.000 1.011 74 I CA -0.252 61.007 61.300 -0.069 0.000 1.107 74 I CB 1.699 39.648 38.000 -0.086 0.000 1.285 74 I HN 0.519 nan 8.210 nan 0.000 0.436 75 S N 2.911 118.589 115.700 -0.037 0.000 2.580 75 S HA 0.366 4.837 4.470 0.000 0.000 0.274 75 S C 1.439 176.028 174.600 -0.018 0.000 1.329 75 S CA 0.153 58.337 58.200 -0.026 0.000 1.036 75 S CB 1.278 64.465 63.200 -0.022 0.000 0.919 75 S HN 0.878 nan 8.310 nan 0.000 0.515 76 G N 2.720 111.512 108.800 -0.012 0.000 2.469 76 G HA2 -0.237 3.723 3.960 0.000 0.000 0.220 76 G HA3 -0.237 3.723 3.960 0.000 0.000 0.220 76 G C 1.236 176.131 174.900 -0.008 0.000 1.136 76 G CA 1.082 46.177 45.100 -0.007 0.000 0.759 76 G HN 0.894 nan 8.290 nan 0.000 0.562 77 E N 0.796 120.991 120.200 -0.009 0.000 2.478 77 E HA -0.044 4.306 4.350 0.000 0.000 0.198 77 E C 0.873 177.469 176.600 -0.007 0.000 1.046 77 E CA 0.513 56.908 56.400 -0.009 0.000 0.870 77 E CB -0.277 29.418 29.700 -0.009 0.000 0.818 77 E HN 0.372 nan 8.360 nan 0.000 0.527 78 N N 0.687 119.383 118.700 -0.007 0.000 2.203 78 N HA 0.067 4.807 4.740 0.000 0.000 0.207 78 N C 1.407 176.917 175.510 -0.000 0.000 1.130 78 N CA 0.106 53.153 53.050 -0.004 0.000 0.861 78 N CB 1.022 39.505 38.487 -0.007 0.000 1.005 78 N HN 0.013 nan 8.380 nan 0.000 0.507 79 V N 1.024 120.938 119.914 -0.000 0.000 2.427 79 V HA -0.167 3.953 4.120 0.000 0.000 0.248 79 V C 2.371 178.475 176.094 0.017 0.000 1.051 79 V CA 1.306 63.611 62.300 0.008 0.000 1.048 79 V CB -0.203 31.626 31.823 0.010 0.000 0.666 79 V HN 0.205 nan 8.190 nan 0.000 0.456 80 R N 0.338 120.841 120.500 0.006 0.000 2.091 80 R HA -0.116 4.224 4.340 0.000 0.000 0.238 80 R C 2.360 178.661 176.300 0.002 0.000 1.136 80 R CA 1.920 58.021 56.100 0.001 0.000 0.959 80 R CB -1.472 28.824 30.300 -0.007 0.000 0.856 80 R HN 0.514 nan 8.270 nan 0.000 0.437 81 T N 2.284 116.844 114.554 0.010 0.000 2.777 81 T HA -0.103 4.247 4.350 0.000 0.000 0.266 81 T C 1.885 176.606 174.700 0.036 0.000 1.040 81 T CA 0.993 63.105 62.100 0.019 0.000 1.141 81 T CB -0.284 68.599 68.868 0.025 0.000 0.868 81 T HN 0.076 nan 8.240 nan 0.000 0.444 82 L N 1.368 122.622 121.223 0.052 0.000 1.990 82 L HA -0.159 4.181 4.340 0.000 0.000 0.213 82 L C 2.409 179.387 176.870 0.179 0.000 1.072 82 L CA 1.870 56.776 54.840 0.111 0.000 0.755 82 L CB -0.652 41.443 42.059 0.059 0.000 0.889 82 L HN 0.252 nan 8.230 nan 0.000 0.432 83 Q N -0.990 118.875 119.800 0.109 0.000 2.230 83 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 83 Q C 2.206 178.160 176.000 -0.077 0.000 0.963 83 Q CA 1.135 56.974 55.803 0.059 0.000 0.866 83 Q CB -0.256 28.511 28.738 0.048 0.000 0.931 83 Q HN 0.710 nan 8.270 nan 0.000 0.452 84 A N 1.599 124.355 122.820 -0.106 0.000 1.930 84 A HA -0.166 4.154 4.320 0.000 0.000 0.217 84 A C 1.721 179.027 177.584 -0.463 0.000 1.175 84 A CA 1.304 53.173 52.037 -0.279 0.000 0.627 84 A CB -0.277 18.604 19.000 -0.197 0.000 0.815 84 A HN 0.254 nan 8.150 nan 0.000 0.443 85 N N -0.311 118.294 118.700 -0.159 0.000 2.396 85 N HA -0.069 4.671 4.740 0.000 0.000 0.180 85 N C 1.497 177.027 175.510 0.033 0.000 1.028 85 N CA 1.010 54.062 53.050 0.004 0.000 0.893 85 N CB -0.373 38.202 38.487 0.146 0.000 0.967 85 N HN 0.462 nan 8.380 nan 0.000 0.440 86 L N 0.706 121.876 121.223 -0.088 0.000 1.994 86 L HA -0.071 4.269 4.340 0.000 0.000 0.208 86 L C 1.893 178.457 176.870 -0.510 0.000 1.071 86 L CA 1.452 56.067 54.840 -0.375 0.000 0.745 86 L CB -0.708 40.965 42.059 -0.645 0.000 0.892 86 L HN -0.126 nan 8.230 nan 0.000 0.431 87 V N -0.201 119.486 119.914 -0.378 0.000 2.407 87 V HA -0.338 3.782 4.120 0.000 0.000 0.248 87 V C 2.402 178.350 176.094 -0.243 0.000 1.055 87 V CA 2.223 64.323 62.300 -0.334 0.000 1.049 87 V CB -1.027 30.627 31.823 -0.282 0.000 0.662 87 V HN 0.628 nan 8.190 nan 0.000 0.455 88 H N -0.387 118.575 119.070 -0.181 0.000 2.293 88 H HA -0.182 4.375 4.556 0.000 0.000 0.300 88 H C 2.368 177.631 175.328 -0.108 0.000 1.082 88 H CA 1.684 57.660 56.048 -0.120 0.000 1.308 88 H CB -0.222 29.519 29.762 -0.036 0.000 1.375 88 H HN 0.663 nan 8.280 nan 0.000 0.495 89 H N 0.580 119.674 119.070 0.040 0.000 2.491 89 H HA -0.048 4.508 4.556 0.000 0.000 0.290 89 H C 1.847 177.147 175.328 -0.048 0.000 1.050 89 H CA 0.838 56.883 56.048 -0.005 0.000 1.309 89 H CB -0.222 29.540 29.762 -0.000 0.000 1.392 89 H HN 0.334 nan 8.280 nan 0.000 0.554 90 L N 0.924 121.828 121.223 -0.532 0.000 2.418 90 L HA 0.142 4.482 4.340 0.000 0.000 0.218 90 L C 1.918 178.644 176.870 -0.239 0.000 1.125 90 L CA 0.368 54.972 54.840 -0.393 0.000 0.835 90 L CB -0.059 41.697 42.059 -0.505 0.000 0.953 90 L HN 0.261 nan 8.230 nan 0.000 0.454 91 A N 0.107 122.753 122.820 -0.290 0.000 3.029 91 A HA 0.137 4.457 4.320 0.000 0.000 0.251 91 A C 1.245 178.776 177.584 -0.089 0.000 1.749 91 A CA 0.314 52.057 52.037 -0.490 0.000 1.386 91 A CB -0.671 17.993 19.000 -0.561 0.000 1.043 91 A HN 0.365 nan 8.150 nan 0.000 0.638 92 S N -0.571 115.174 115.700 0.075 0.000 2.575 92 S HA 0.373 4.843 4.470 0.000 0.000 0.237 92 S C 0.870 175.570 174.600 0.167 0.000 0.975 92 S CA 0.074 58.346 58.200 0.120 0.000 0.960 92 S CB 0.059 63.299 63.200 0.068 0.000 0.822 92 S HN 0.749 nan 8.310 nan 0.000 0.472 93 G N 1.517 110.525 108.800 0.347 0.000 2.544 93 G HA2 0.504 4.464 3.960 0.000 0.000 0.242 93 G HA3 0.504 4.464 3.960 0.000 0.000 0.242 93 G C -0.151 174.722 174.900 -0.045 0.000 1.247 93 G CA 0.078 45.227 45.100 0.081 0.000 0.840 93 G HN 1.028 nan 8.290 nan 0.000 0.578 94 V N -0.885 118.996 119.914 -0.056 0.000 3.182 94 V HA 1.034 5.154 4.120 0.000 0.000 0.308 94 V C 0.537 176.597 176.094 -0.057 0.000 1.240 94 V CA -0.092 62.176 62.300 -0.053 0.000 1.063 94 V CB 1.135 32.947 31.823 -0.017 0.000 1.076 94 V HN 2.551 nan 8.190 nan 0.000 0.446 95 G N 0.607 109.381 108.800 -0.044 0.000 2.661 95 G HA2 0.074 4.034 3.960 0.000 0.000 0.685 95 G HA3 0.074 4.034 3.960 0.000 0.000 0.685 95 G C -2.749 172.127 174.900 -0.040 0.000 1.298 95 G CA -0.309 44.770 45.100 -0.034 0.000 0.855 95 G HN 1.127 nan 8.290 nan 0.000 0.560 96 P HA 0.393 nan 4.420 nan 0.000 0.267 96 P C 0.878 178.161 177.300 -0.028 0.000 1.200 96 P CA 0.473 63.561 63.100 -0.019 0.000 0.772 96 P CB 0.748 32.446 31.700 -0.004 0.000 0.855 97 V N 1.345 121.244 119.914 -0.026 0.000 3.051 97 V HA 0.161 4.281 4.120 0.000 0.000 0.306 97 V C 0.692 176.781 176.094 -0.007 0.000 1.083 97 V CA -0.688 61.592 62.300 -0.032 0.000 1.104 97 V CB -0.469 31.340 31.823 -0.024 0.000 1.027 97 V HN 0.303 nan 8.190 nan 0.000 0.483 98 L N 2.638 123.854 121.223 -0.012 0.000 2.461 98 L HA 0.249 4.589 4.340 0.000 0.000 0.272 98 L C 0.682 177.575 176.870 0.039 0.000 1.197 98 L CA -0.170 54.675 54.840 0.008 0.000 0.836 98 L CB 0.220 42.275 42.059 -0.007 0.000 1.105 98 L HN 1.033 nan 8.230 nan 0.000 0.477 99 D N 0.035 120.474 120.400 0.064 0.000 2.368 99 D HA -0.124 4.517 4.640 0.000 0.000 0.240 99 D C 0.728 177.126 176.300 0.162 0.000 1.169 99 D CA -0.429 53.641 54.000 0.117 0.000 0.906 99 D CB 0.552 41.425 40.800 0.122 0.000 1.187 99 D HN 0.547 nan 8.370 nan 0.000 0.435 100 W N 1.256 122.560 121.300 0.007 0.000 2.302 100 W HA -0.295 4.365 4.660 0.000 0.000 0.320 100 W C 2.165 178.679 176.519 -0.008 0.000 1.241 100 W CA 2.587 59.936 57.345 0.006 0.000 1.264 100 W CB -0.757 28.709 29.460 0.010 0.000 1.154 100 W HN 0.445 nan 8.180 nan 0.000 0.483 101 T N -0.287 114.424 114.554 0.262 0.000 2.746 101 T HA -0.211 4.139 4.350 0.000 0.000 0.267 101 T C 1.560 176.198 174.700 -0.103 0.000 1.039 101 T CA 2.266 64.367 62.100 0.001 0.000 1.142 101 T CB -0.872 68.078 68.868 0.136 0.000 0.866 101 T HN 0.186 nan 8.240 nan 0.000 0.444 102 T N 1.900 116.448 114.554 -0.011 0.000 2.777 102 T HA 0.043 4.393 4.350 0.000 0.000 0.266 102 T C 2.429 177.090 174.700 -0.065 0.000 1.040 102 T CA 1.052 63.141 62.100 -0.018 0.000 1.141 102 T CB -0.504 68.380 68.868 0.027 0.000 0.868 102 T HN 0.424 nan 8.240 nan 0.000 0.444 103 A N 1.777 124.548 122.820 -0.081 0.000 1.902 103 A HA -0.109 4.211 4.320 0.000 0.000 0.217 103 A C 2.368 179.854 177.584 -0.163 0.000 1.181 103 A CA 1.396 53.371 52.037 -0.104 0.000 0.623 103 A CB -0.456 18.488 19.000 -0.094 0.000 0.818 103 A HN 0.399 nan 8.150 nan 0.000 0.443 104 R N -0.604 119.733 120.500 -0.271 0.000 2.115 104 R HA 0.010 4.350 4.340 0.000 0.000 0.230 104 R C 2.396 178.568 176.300 -0.214 0.000 1.111 104 R CA 1.026 56.938 56.100 -0.314 0.000 0.976 104 R CB -0.393 29.572 30.300 -0.558 0.000 0.870 104 R HN 0.505 nan 8.270 nan 0.000 0.445 105 A N 1.070 123.783 122.820 -0.178 0.000 1.972 105 A HA -0.176 4.145 4.320 0.000 0.000 0.219 105 A C 2.098 179.630 177.584 -0.086 0.000 1.169 105 A CA 1.232 53.198 52.037 -0.120 0.000 0.635 105 A CB -0.422 18.531 19.000 -0.078 0.000 0.810 105 A HN 0.324 nan 8.150 nan 0.000 0.446 106 M N -0.330 119.223 119.600 -0.079 0.000 2.099 106 M HA -0.109 4.371 4.480 0.000 0.000 0.262 106 M C 1.871 178.133 176.300 -0.063 0.000 1.067 106 M CA 1.906 57.171 55.300 -0.058 0.000 1.124 106 M CB -0.215 32.355 32.600 -0.050 0.000 1.353 106 M HN 0.186 nan 8.290 nan 0.000 0.410 107 V N 1.141 121.006 119.914 -0.081 0.000 2.332 107 V HA -0.278 3.842 4.120 0.000 0.000 0.248 107 V C 2.427 178.480 176.094 -0.068 0.000 1.055 107 V CA 1.743 63.999 62.300 -0.072 0.000 1.038 107 V CB -0.957 30.815 31.823 -0.085 0.000 0.651 107 V HN 0.583 nan 8.190 nan 0.000 0.450 108 L N 0.940 122.113 121.223 -0.084 0.000 2.046 108 L HA -0.076 4.265 4.340 0.000 0.000 0.208 108 L C 2.449 179.282 176.870 -0.062 0.000 1.077 108 L CA 2.364 57.158 54.840 -0.077 0.000 0.747 108 L CB -1.003 41.001 42.059 -0.092 0.000 0.896 108 L HN 0.216 nan 8.230 nan 0.000 0.432 109 A N -0.431 122.354 122.820 -0.058 0.000 1.940 109 A HA -0.266 4.054 4.320 0.000 0.000 0.219 109 A C 2.466 180.027 177.584 -0.039 0.000 1.176 109 A CA 1.869 53.876 52.037 -0.049 0.000 0.631 109 A CB -0.610 18.364 19.000 -0.042 0.000 0.814 109 A HN 0.489 nan 8.150 nan 0.000 0.446 110 R N -0.643 119.836 120.500 -0.035 0.000 2.075 110 R HA -0.064 4.276 4.340 0.000 0.000 0.232 110 R C 1.942 178.228 176.300 -0.023 0.000 1.126 110 R CA 1.535 57.620 56.100 -0.024 0.000 0.963 110 R CB -0.664 29.622 30.300 -0.023 0.000 0.858 110 R HN 0.439 nan 8.270 nan 0.000 0.435 111 L N -0.096 121.109 121.223 -0.031 0.000 2.046 111 L HA -0.099 4.241 4.340 0.000 0.000 0.208 111 L C 1.880 178.733 176.870 -0.029 0.000 1.077 111 L CA 1.626 56.448 54.840 -0.029 0.000 0.747 111 L CB -0.439 41.598 42.059 -0.036 0.000 0.896 111 L HN 0.072 nan 8.230 nan 0.000 0.432 112 V N -1.065 118.826 119.914 -0.039 0.000 2.407 112 V HA -0.255 3.866 4.120 0.000 0.000 0.248 112 V C 2.755 178.830 176.094 -0.031 0.000 1.055 112 V CA 1.738 64.013 62.300 -0.042 0.000 1.049 112 V CB -0.760 31.026 31.823 -0.062 0.000 0.662 112 V HN 0.646 nan 8.190 nan 0.000 0.455 113 S N -0.189 115.495 115.700 -0.026 0.000 2.356 113 S HA -0.153 4.317 4.470 0.000 0.000 0.223 113 S C 1.943 176.540 174.600 -0.004 0.000 1.032 113 S CA 1.706 59.896 58.200 -0.016 0.000 1.005 113 S CB -0.351 62.842 63.200 -0.011 0.000 0.867 113 S HN 0.519 nan 8.310 nan 0.000 0.449 114 I N 1.771 122.340 120.570 -0.001 0.000 2.264 114 I HA -0.173 3.997 4.170 0.000 0.000 0.248 114 I C 2.684 178.804 176.117 0.004 0.000 1.111 114 I CA 1.120 62.425 61.300 0.008 0.000 1.382 114 I CB -0.490 37.512 38.000 0.003 0.000 1.060 114 I HN 0.384 nan 8.210 nan 0.000 0.418 115 A N 0.006 122.823 122.820 -0.005 0.000 2.178 115 A HA -0.187 4.133 4.320 0.000 0.000 0.218 115 A C 2.070 179.655 177.584 0.001 0.000 1.157 115 A CA 1.120 53.153 52.037 -0.006 0.000 0.689 115 A CB -0.316 18.677 19.000 -0.012 0.000 0.787 115 A HN 0.407 nan 8.150 nan 0.000 0.465 116 Q N -1.137 118.665 119.800 0.004 0.000 2.436 116 Q HA 0.083 4.423 4.340 0.000 0.000 0.209 116 Q C 1.237 177.247 176.000 0.015 0.000 0.965 116 Q CA 0.781 56.589 55.803 0.008 0.000 0.910 116 Q CB -0.526 28.215 28.738 0.004 0.000 0.980 116 Q HN 1.036 nan 8.270 nan 0.000 0.491 117 G N 0.475 109.287 108.800 0.020 0.000 2.212 117 G HA2 -0.215 3.745 3.960 0.000 0.000 0.255 117 G HA3 -0.215 3.745 3.960 0.000 0.000 0.255 117 G C 0.476 175.410 174.900 0.056 0.000 1.062 117 G CA 0.418 45.536 45.100 0.029 0.000 0.815 117 G HN 0.522 nan 8.290 nan 0.000 0.497 118 A N -1.021 121.844 122.820 0.075 0.000 2.635 118 A HA 0.721 5.041 4.320 0.000 0.000 0.279 118 A C 1.691 179.400 177.584 0.208 0.000 1.122 118 A CA 1.379 53.488 52.037 0.120 0.000 0.965 118 A CB 0.286 19.316 19.000 0.051 0.000 1.221 118 A HN 0.768 nan 8.150 nan 0.000 0.566 119 S N -1.142 114.672 115.700 0.190 0.000 2.502 119 S HA 0.361 4.831 4.470 0.000 0.000 0.215 119 S C 1.557 176.327 174.600 0.284 0.000 1.009 119 S CA 0.717 59.060 58.200 0.238 0.000 0.908 119 S CB 0.397 63.666 63.200 0.116 0.000 0.801 119 S HN 1.647 nan 8.310 nan 0.000 0.505 120 G N 1.866 110.745 108.800 0.132 0.000 2.162 120 G HA2 -0.235 3.725 3.960 0.000 0.000 0.260 120 G HA3 -0.235 3.725 3.960 0.000 0.000 0.260 120 G C 0.242 175.112 174.900 -0.050 0.000 0.976 120 G CA 0.020 45.081 45.100 -0.064 0.000 0.655 120 G HN 0.903 nan 8.290 nan 0.000 0.533 121 A N 0.452 123.268 122.820 -0.006 0.000 2.540 121 A HA 0.590 4.910 4.320 0.000 0.000 0.239 121 A C 1.176 178.707 177.584 -0.089 0.000 1.061 121 A CA 1.072 53.091 52.037 -0.030 0.000 0.758 121 A CB 0.170 19.163 19.000 -0.011 0.000 0.991 121 A HN 2.048 nan 8.150 nan 0.000 0.502 122 S N 1.691 117.304 115.700 -0.144 0.000 2.614 122 S HA 0.178 4.648 4.470 0.000 0.000 0.265 122 S C 0.752 175.247 174.600 -0.176 0.000 1.303 122 S CA 0.118 58.155 58.200 -0.272 0.000 1.000 122 S CB 0.715 63.569 63.200 -0.576 0.000 0.935 122 S HN 0.720 nan 8.310 nan 0.000 0.551 123 E N 1.501 121.596 120.200 -0.175 0.000 2.118 123 E HA -0.119 4.231 4.350 0.000 0.000 0.195 123 E C 2.134 178.691 176.600 -0.073 0.000 0.992 123 E CA 1.214 57.555 56.400 -0.098 0.000 0.804 123 E CB -0.758 28.895 29.700 -0.079 0.000 0.741 123 E HN 0.904 nan 8.360 nan 0.000 0.458 124 G N 0.521 109.272 108.800 -0.083 0.000 2.418 124 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 124 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 124 G C 1.636 176.523 174.900 -0.021 0.000 1.158 124 G CA 1.271 46.352 45.100 -0.031 0.000 0.771 124 G HN 0.186 nan 8.290 nan 0.000 0.545 125 T N 1.341 115.874 114.554 -0.035 0.000 2.746 125 T HA -0.055 4.295 4.350 0.000 0.000 0.267 125 T C 2.388 177.077 174.700 -0.018 0.000 1.039 125 T CA 0.999 63.089 62.100 -0.017 0.000 1.142 125 T CB -0.165 68.691 68.868 -0.020 0.000 0.866 125 T HN 0.245 nan 8.240 nan 0.000 0.444 126 I N 1.282 121.835 120.570 -0.030 0.000 2.286 126 I HA -0.176 3.994 4.170 0.000 0.000 0.248 126 I C 2.871 178.976 176.117 -0.019 0.000 1.115 126 I CA 1.043 62.328 61.300 -0.025 0.000 1.392 126 I CB -0.438 37.544 38.000 -0.030 0.000 1.065 126 I HN 0.190 nan 8.210 nan 0.000 0.418 127 A N 0.744 123.553 122.820 -0.018 0.000 1.972 127 A HA -0.168 4.152 4.320 0.000 0.000 0.219 127 A C 2.328 179.910 177.584 -0.004 0.000 1.169 127 A CA 1.221 53.251 52.037 -0.012 0.000 0.635 127 A CB -0.374 18.620 19.000 -0.011 0.000 0.810 127 A HN 0.250 nan 8.150 nan 0.000 0.446 128 R N -0.166 120.335 120.500 0.002 0.000 2.092 128 R HA -0.021 4.319 4.340 0.000 0.000 0.231 128 R C 2.008 178.316 176.300 0.013 0.000 1.119 128 R CA 1.154 57.263 56.100 0.015 0.000 0.970 128 R CB -0.970 29.344 30.300 0.024 0.000 0.864 128 R HN 0.593 nan 8.270 nan 0.000 0.440 129 L N 0.135 121.358 121.223 -0.000 0.000 2.044 129 L HA -0.079 4.261 4.340 0.000 0.000 0.205 129 L C 2.510 179.369 176.870 -0.018 0.000 1.075 129 L CA 1.096 55.930 54.840 -0.010 0.000 0.747 129 L CB -0.483 41.565 42.059 -0.019 0.000 0.903 129 L HN 0.050 nan 8.230 nan 0.000 0.435 130 I N 0.053 120.612 120.570 -0.018 0.000 2.226 130 I HA -0.299 3.871 4.170 0.000 0.000 0.245 130 I C 2.147 178.254 176.117 -0.017 0.000 1.100 130 I CA 1.232 62.519 61.300 -0.021 0.000 1.374 130 I CB -0.400 37.589 38.000 -0.018 0.000 1.057 130 I HN 0.271 nan 8.210 nan 0.000 0.413 131 D N 0.717 121.112 120.400 -0.009 0.000 2.123 131 D HA -0.181 4.459 4.640 0.000 0.000 0.196 131 D C 2.132 178.429 176.300 -0.006 0.000 0.992 131 D CA 0.967 54.962 54.000 -0.007 0.000 0.833 131 D CB -0.343 40.455 40.800 -0.003 0.000 0.954 131 D HN 0.164 nan 8.370 nan 0.000 0.455 132 L N 0.775 122.001 121.223 0.005 0.000 2.012 132 L HA -0.144 4.196 4.340 0.000 0.000 0.210 132 L C 2.130 178.984 176.870 -0.027 0.000 1.073 132 L CA 1.396 56.245 54.840 0.015 0.000 0.748 132 L CB -0.857 41.229 42.059 0.044 0.000 0.891 132 L HN 0.100 nan 8.230 nan 0.000 0.431 133 L N 0.067 121.260 121.223 -0.050 0.000 2.131 133 L HA -0.202 4.138 4.340 0.000 0.000 0.210 133 L C 2.053 178.892 176.870 -0.051 0.000 1.092 133 L CA 0.920 55.711 54.840 -0.083 0.000 0.759 133 L CB -0.566 41.444 42.059 -0.081 0.000 0.903 133 L HN 0.368 nan 8.230 nan 0.000 0.435 134 N N -0.481 118.205 118.700 -0.024 0.000 2.463 134 N HA -0.025 4.715 4.740 0.000 0.000 0.181 134 N C 1.023 176.542 175.510 0.015 0.000 1.078 134 N CA 0.479 53.526 53.050 -0.004 0.000 0.902 134 N CB 0.096 38.580 38.487 -0.005 0.000 0.970 134 N HN 0.338 nan 8.380 nan 0.000 0.451 135 S N 0.244 115.953 115.700 0.016 0.000 2.652 135 S HA 0.227 4.697 4.470 0.000 0.000 0.267 135 S C 0.782 175.447 174.600 0.108 0.000 1.201 135 S CA -0.359 57.863 58.200 0.037 0.000 0.996 135 S CB 1.235 64.440 63.200 0.009 0.000 1.054 135 S HN -0.050 nan 8.310 nan 0.000 0.561 136 E N 0.051 120.342 120.200 0.152 0.000 2.444 136 E HA 0.352 4.702 4.350 0.000 0.000 0.191 136 E C -0.170 176.729 176.600 0.498 0.000 1.041 136 E CA -0.013 56.572 56.400 0.308 0.000 0.883 136 E CB -0.178 29.620 29.700 0.163 0.000 1.024 136 E HN 0.504 nan 8.360 nan 0.000 0.470 137 L N -0.188 121.234 121.223 0.332 0.000 2.304 137 L HA 0.764 5.104 4.340 0.000 0.000 0.268 137 L C -0.013 176.964 176.870 0.179 0.000 1.010 137 L CA -1.095 53.973 54.840 0.380 0.000 0.813 137 L CB 1.553 43.722 42.059 0.183 0.000 1.315 137 L HN -0.165 nan 8.230 nan 0.000 0.445 138 A N 0.823 123.777 122.820 0.223 0.000 2.539 138 A HA 0.834 5.154 4.320 0.000 0.000 0.296 138 A C -2.818 174.839 177.584 0.122 0.000 1.073 138 A CA -1.422 50.602 52.037 -0.021 0.000 0.700 138 A CB 1.908 20.721 19.000 -0.311 0.000 1.296 138 A HN 0.368 nan 8.150 nan 0.000 0.405 139 P HA 0.401 nan 4.420 nan 0.000 0.278 139 P C -0.422 176.790 177.300 -0.145 0.000 1.238 139 P CA 0.034 62.982 63.100 -0.253 0.000 0.794 139 P CB 1.357 32.913 31.700 -0.241 0.000 0.955 140 A N 3.316 126.031 122.820 -0.176 0.000 2.316 140 A HA 0.477 4.797 4.320 0.000 0.000 0.311 140 A C -0.243 177.276 177.584 -0.107 0.000 1.339 140 A CA -0.432 51.554 52.037 -0.085 0.000 0.960 140 A CB -0.267 18.702 19.000 -0.052 0.000 1.152 140 A HN 0.353 nan 8.150 nan 0.000 0.547 141 V N 5.677 125.533 119.914 -0.097 0.000 2.540 141 V HA 0.428 4.548 4.120 0.000 0.000 0.302 141 V C -2.194 173.801 176.094 -0.166 0.000 1.035 141 V CA -1.785 60.437 62.300 -0.131 0.000 0.873 141 V CB 2.112 33.891 31.823 -0.073 0.000 0.992 141 V HN 0.811 nan 8.190 nan 0.000 0.428 142 P HA 0.069 nan 4.420 nan 0.000 0.268 142 P C 0.687 177.906 177.300 -0.135 0.000 1.205 142 P CA 0.110 63.071 63.100 -0.232 0.000 0.771 142 P CB 0.973 32.458 31.700 -0.358 0.000 0.858 143 S N 2.700 118.353 115.700 -0.077 0.000 2.446 143 S HA 0.018 4.488 4.470 0.000 0.000 0.225 143 S C 0.850 175.435 174.600 -0.025 0.000 1.016 143 S CA 0.131 58.308 58.200 -0.039 0.000 0.943 143 S CB -0.099 63.090 63.200 -0.018 0.000 0.786 143 S HN 0.413 nan 8.310 nan 0.000 0.508 144 R N -0.165 120.316 120.500 -0.031 0.000 2.668 144 R HA 0.631 4.971 4.340 0.000 0.000 0.279 144 R C 0.783 177.080 176.300 -0.005 0.000 0.976 144 R CA -0.020 56.073 56.100 -0.012 0.000 0.978 144 R CB 1.515 31.810 30.300 -0.009 0.000 1.133 144 R HN 0.330 nan 8.270 nan 0.000 0.484 145 G N 0.200 109.006 108.800 0.011 0.000 2.901 145 G HA2 -0.212 3.748 3.960 0.000 0.000 0.194 145 G HA3 -0.212 3.748 3.960 0.000 0.000 0.194 145 G C 0.101 175.017 174.900 0.027 0.000 1.020 145 G CA -0.093 45.022 45.100 0.024 0.000 0.787 145 G HN 0.599 nan 8.290 nan 0.000 0.477 146 T N 0.789 115.357 114.554 0.023 0.000 2.928 146 T HA 0.524 4.874 4.350 0.000 0.000 0.284 146 T C 1.457 176.173 174.700 0.027 0.000 1.008 146 T CA 0.495 62.608 62.100 0.021 0.000 1.057 146 T CB 1.625 70.503 68.868 0.017 0.000 1.018 146 T HN 1.154 nan 8.240 nan 0.000 0.493 147 V N 1.195 121.127 119.914 0.029 0.000 3.444 147 V HA 0.605 4.726 4.120 0.000 0.000 0.308 147 V C 1.125 177.249 176.094 0.049 0.000 1.371 147 V CA 0.224 62.548 62.300 0.040 0.000 1.141 147 V CB -1.283 30.565 31.823 0.042 0.000 1.037 147 V HN 1.361 nan 8.190 nan 0.000 0.433 153 L N -0.352 120.842 121.223 -0.048 0.000 2.046 153 L HA -0.120 4.220 4.340 0.000 0.000 0.208 153 L C 2.351 179.173 176.870 -0.079 0.000 1.077 153 L CA 1.368 56.158 54.840 -0.083 0.000 0.747 153 L CB -0.577 41.409 42.059 -0.121 0.000 0.896 153 L HN 0.089 nan 8.230 nan 0.000 0.432 154 T N 0.505 115.036 114.554 -0.038 0.000 2.674 154 T HA -0.085 4.265 4.350 0.000 0.000 0.265 154 T C -0.453 174.308 174.700 0.103 0.000 1.039 154 T CA 1.673 63.779 62.100 0.011 0.000 1.150 154 T CB -1.131 67.769 68.868 0.053 0.000 0.864 154 T HN 0.307 nan 8.240 nan 0.000 0.427 155 P HA 0.030 nan 4.420 nan 0.000 0.218 155 P C 1.552 178.879 177.300 0.045 0.000 1.149 155 P CA 0.935 64.082 63.100 0.078 0.000 0.817 155 P CB -0.214 31.497 31.700 0.018 0.000 0.785 156 L N -0.716 120.505 121.223 -0.005 0.000 2.156 156 L HA -0.057 4.283 4.340 0.000 0.000 0.208 156 L C 2.757 179.588 176.870 -0.064 0.000 1.095 156 L CA 1.202 56.021 54.840 -0.035 0.000 0.770 156 L CB -0.987 41.046 42.059 -0.044 0.000 0.914 156 L HN -0.059 nan 8.230 nan 0.000 0.439 157 A N -0.848 121.910 122.820 -0.103 0.000 1.898 157 A HA -0.215 4.105 4.320 0.000 0.000 0.216 157 A C 2.125 179.594 177.584 -0.192 0.000 1.181 157 A CA 1.243 53.167 52.037 -0.189 0.000 0.620 157 A CB -0.698 18.131 19.000 -0.285 0.000 0.819 157 A HN 0.393 nan 8.150 nan 0.000 0.442 158 H N -1.127 117.889 119.070 -0.089 0.000 2.387 158 H HA -0.106 4.450 4.556 0.000 0.000 0.299 158 H C 2.095 177.357 175.328 -0.110 0.000 1.090 158 H CA 1.766 57.762 56.048 -0.087 0.000 1.332 158 H CB -0.283 29.431 29.762 -0.079 0.000 1.386 158 H HN 0.599 nan 8.280 nan 0.000 0.516 159 M N 0.591 120.191 119.600 0.001 0.000 2.117 159 M HA -0.153 4.327 4.480 0.000 0.000 0.262 159 M C 2.120 178.372 176.300 -0.079 0.000 1.065 159 M CA 1.325 56.587 55.300 -0.063 0.000 1.114 159 M CB -0.130 32.437 32.600 -0.054 0.000 1.361 159 M HN -0.006 nan 8.290 nan 0.000 0.408 160 V N 1.333 121.204 119.914 -0.071 0.000 2.287 160 V HA -0.310 3.810 4.120 0.000 0.000 0.248 160 V C 2.448 178.505 176.094 -0.062 0.000 1.053 160 V CA 1.881 64.142 62.300 -0.066 0.000 1.027 160 V CB -0.767 31.006 31.823 -0.084 0.000 0.646 160 V HN 0.548 nan 8.190 nan 0.000 0.447 161 L N -0.857 120.322 121.223 -0.073 0.000 2.042 161 L HA -0.234 4.106 4.340 0.000 0.000 0.210 161 L C 2.657 179.490 176.870 -0.062 0.000 1.076 161 L CA 1.721 56.531 54.840 -0.051 0.000 0.749 161 L CB -0.774 41.257 42.059 -0.047 0.000 0.893 161 L HN 0.406 nan 8.230 nan 0.000 0.432 162 C N -0.160 119.057 119.300 -0.138 0.000 2.432 162 C HA -0.154 4.306 4.460 0.000 0.000 0.277 162 C C 2.673 177.546 174.990 -0.194 0.000 1.249 162 C CA 0.440 59.265 59.018 -0.322 0.000 1.725 162 C CB -0.880 26.512 27.740 -0.579 0.000 2.028 162 C HN 0.443 nan 8.230 nan 0.000 0.477 163 L N 0.316 121.499 121.223 -0.066 0.000 2.362 163 L HA -0.156 4.184 4.340 0.000 0.000 0.219 163 L C 2.435 179.377 176.870 0.119 0.000 1.134 163 L CA 1.239 56.144 54.840 0.109 0.000 0.807 163 L CB -0.641 41.453 42.059 0.058 0.000 0.927 163 L HN 0.523 nan 8.230 nan 0.000 0.447 164 Q N -0.351 119.487 119.800 0.065 0.000 2.360 164 Q HA 0.111 4.451 4.340 0.000 0.000 0.202 164 Q C 1.344 177.398 176.000 0.090 0.000 0.915 164 Q CA 0.516 56.356 55.803 0.062 0.000 0.943 164 Q CB 0.584 29.340 28.738 0.030 0.000 1.064 164 Q HN 0.553 nan 8.270 nan 0.000 0.511 165 G N 1.685 110.568 108.800 0.138 0.000 2.141 165 G HA2 -0.300 3.660 3.960 0.000 0.000 0.242 165 G HA3 -0.300 3.660 3.960 0.000 0.000 0.242 165 G C 0.515 175.479 174.900 0.107 0.000 0.982 165 G CA 0.044 45.248 45.100 0.173 0.000 0.662 165 G HN 0.312 nan 8.290 nan 0.000 0.527 166 R N 0.064 120.600 120.500 0.060 0.000 2.507 166 R HA 0.470 4.810 4.340 0.000 0.000 0.298 166 R C 1.008 177.317 176.300 0.015 0.000 0.999 166 R CA 0.494 56.617 56.100 0.039 0.000 1.082 166 R CB 0.844 31.166 30.300 0.036 0.000 1.246 166 R HN 0.523 nan 8.270 nan 0.000 0.553 167 G N -0.319 108.474 108.800 -0.012 0.000 2.692 167 G HA2 0.238 4.198 3.960 0.000 0.000 0.291 167 G HA3 0.238 4.198 3.960 0.000 0.000 0.291 167 G C -1.490 173.351 174.900 -0.099 0.000 1.423 167 G CA -0.658 44.408 45.100 -0.056 0.000 0.843 167 G HN -0.128 nan 8.290 nan 0.000 0.486 168 D N -0.473 119.881 120.400 -0.077 0.000 2.360 168 D HA 0.560 5.201 4.640 0.000 0.000 0.242 168 D C -0.455 175.747 176.300 -0.163 0.000 1.184 168 D CA 0.506 54.495 54.000 -0.018 0.000 0.930 168 D CB 0.943 41.756 40.800 0.021 0.000 1.161 168 D HN 0.101 nan 8.370 nan 0.000 0.447 169 F N -0.562 119.414 119.950 0.042 0.000 2.618 169 F HA 0.519 5.046 4.527 0.000 0.000 0.332 169 F C -0.091 175.756 175.800 0.079 0.000 1.061 169 F CA -0.915 57.118 58.000 0.056 0.000 0.974 169 F CB 1.186 40.220 39.000 0.057 0.000 1.310 169 F HN -0.080 nan 8.300 nan 0.000 0.491 170 L N 1.355 122.780 121.223 0.338 0.000 2.362 170 L HA 0.428 4.768 4.340 0.000 0.000 0.271 170 L C -1.037 176.052 176.870 0.365 0.000 1.002 170 L CA -1.079 53.935 54.840 0.290 0.000 0.818 170 L CB 1.869 44.103 42.059 0.293 0.000 1.298 170 L HN 0.594 nan 8.230 nan 0.000 0.420 171 D N 0.776 121.290 120.400 0.190 0.000 2.466 171 D HA 0.142 4.782 4.640 0.000 0.000 0.262 171 D C 0.890 177.047 176.300 -0.239 0.000 1.177 171 D CA -0.734 53.308 54.000 0.070 0.000 1.035 171 D CB 0.819 41.613 40.800 -0.009 0.000 1.105 171 D HN 0.369 nan 8.370 nan 0.000 0.551 172 R N -0.625 119.481 120.500 -0.656 0.000 2.170 172 R HA -0.136 4.204 4.340 0.000 0.000 0.242 172 R C 0.604 176.543 176.300 -0.602 0.000 1.145 172 R CA 1.584 56.929 56.100 -1.259 0.000 0.984 172 R CB -0.215 29.459 30.300 -1.044 0.000 0.869 172 R HN 0.431 nan 8.270 nan 0.000 0.455 173 D N -1.514 118.702 120.400 -0.307 0.000 2.340 173 D HA 0.119 4.759 4.640 0.000 0.000 0.220 173 D C 0.880 177.135 176.300 -0.075 0.000 1.039 173 D CA 1.021 54.925 54.000 -0.160 0.000 0.866 173 D CB 0.722 41.456 40.800 -0.110 0.000 0.913 173 D HN 0.498 nan 8.370 nan 0.000 0.523 174 G N 0.819 109.593 108.800 -0.044 0.000 2.175 174 G HA2 -0.258 3.703 3.960 0.000 0.000 0.244 174 G HA3 -0.258 3.703 3.960 0.000 0.000 0.244 174 G C 0.555 175.478 174.900 0.038 0.000 0.982 174 G CA 0.173 45.293 45.100 0.034 0.000 0.641 174 G HN 0.280 nan 8.290 nan 0.000 0.527 175 T N 2.919 117.485 114.554 0.020 0.000 2.888 175 T HA 0.422 4.772 4.350 0.000 0.000 0.301 175 T C 0.780 175.516 174.700 0.060 0.000 1.001 175 T CA -0.086 62.031 62.100 0.028 0.000 1.147 175 T CB 0.792 69.666 68.868 0.010 0.000 0.931 175 T HN 0.265 nan 8.240 nan 0.000 0.541 176 R N 3.048 123.582 120.500 0.057 0.000 2.390 176 R HA 0.447 4.787 4.340 0.000 0.000 0.291 176 R C -0.390 175.959 176.300 0.082 0.000 1.070 176 R CA -0.281 55.864 56.100 0.074 0.000 1.014 176 R CB 0.551 30.882 30.300 0.052 0.000 1.007 176 R HN 0.566 nan 8.270 nan 0.000 0.466 177 L N 2.380 123.677 121.223 0.124 0.000 2.381 177 L HA 0.283 4.623 4.340 0.000 0.000 0.268 177 L C 0.096 177.062 176.870 0.160 0.000 0.997 177 L CA -1.278 53.638 54.840 0.126 0.000 0.818 177 L CB 2.045 44.185 42.059 0.136 0.000 1.310 177 L HN 0.596 nan 8.230 nan 0.000 0.416 178 D N 1.279 121.752 120.400 0.123 0.000 2.371 178 D HA 0.095 4.735 4.640 0.000 0.000 0.242 178 D C 1.236 177.661 176.300 0.208 0.000 1.218 178 D CA -0.019 54.059 54.000 0.129 0.000 0.945 178 D CB 0.986 41.834 40.800 0.081 0.000 1.137 178 D HN 0.574 nan 8.370 nan 0.000 0.464 179 G N 0.129 109.052 108.800 0.205 0.000 2.529 179 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 179 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 179 G C 1.506 176.541 174.900 0.226 0.000 1.177 179 G CA 2.048 47.326 45.100 0.296 0.000 0.773 179 G HN 0.727 nan 8.290 nan 0.000 0.573 180 A N 0.646 123.538 122.820 0.121 0.000 1.908 180 A HA -0.070 4.250 4.320 0.000 0.000 0.218 180 A C 2.222 179.820 177.584 0.024 0.000 1.181 180 A CA 2.369 54.444 52.037 0.063 0.000 0.627 180 A CB -0.476 18.551 19.000 0.045 0.000 0.818 180 A HN 0.448 nan 8.150 nan 0.000 0.445 181 E N 0.103 120.323 120.200 0.033 0.000 2.106 181 E HA -0.033 4.317 4.350 0.000 0.000 0.192 181 E C 1.956 178.512 176.600 -0.074 0.000 0.984 181 E CA 1.603 58.001 56.400 -0.003 0.000 0.806 181 E CB -0.842 28.872 29.700 0.024 0.000 0.750 181 E HN 0.388 nan 8.360 nan 0.000 0.458 182 G N 0.798 109.534 108.800 -0.108 0.000 2.421 182 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 182 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 182 G C 1.619 176.146 174.900 -0.622 0.000 1.171 182 G CA 0.931 45.720 45.100 -0.518 0.000 0.775 182 G HN 0.311 nan 8.290 nan 0.000 0.543 183 L N -0.141 120.845 121.223 -0.395 0.000 2.046 183 L HA -0.055 4.285 4.340 0.000 0.000 0.208 183 L C 2.929 179.704 176.870 -0.158 0.000 1.077 183 L CA 1.363 56.059 54.840 -0.239 0.000 0.747 183 L CB -0.413 41.606 42.059 -0.066 0.000 0.896 183 L HN 0.221 nan 8.230 nan 0.000 0.432 184 R N 0.584 121.016 120.500 -0.115 0.000 2.061 184 R HA -0.197 4.143 4.340 0.000 0.000 0.230 184 R C 2.526 178.776 176.300 -0.083 0.000 1.140 184 R CA 1.677 57.733 56.100 -0.074 0.000 0.940 184 R CB -0.221 30.052 30.300 -0.046 0.000 0.839 184 R HN 0.160 nan 8.270 nan 0.000 0.429 185 R N -0.534 119.906 120.500 -0.100 0.000 2.091 185 R HA -0.095 4.245 4.340 0.000 0.000 0.238 185 R C 1.863 178.110 176.300 -0.089 0.000 1.136 185 R CA 1.838 57.888 56.100 -0.082 0.000 0.959 185 R CB -0.475 29.779 30.300 -0.076 0.000 0.856 185 R HN 0.436 nan 8.270 nan 0.000 0.437 186 G N -0.528 108.186 108.800 -0.144 0.000 2.985 186 G HA2 -0.088 3.872 3.960 0.000 0.000 0.209 186 G HA3 -0.088 3.872 3.960 0.000 0.000 0.209 186 G C 0.061 174.909 174.900 -0.087 0.000 1.165 186 G CA -0.054 44.977 45.100 -0.116 0.000 0.776 186 G HN 0.405 nan 8.290 nan 0.000 0.541 187 R N -0.834 119.617 120.500 -0.082 0.000 3.146 187 R HA -0.149 4.192 4.340 0.000 0.000 0.250 187 R C -0.930 175.339 176.300 -0.053 0.000 0.912 187 R CA 0.142 56.209 56.100 -0.055 0.000 0.633 187 R CB -1.863 28.416 30.300 -0.035 0.000 1.180 187 R HN 0.331 nan 8.270 nan 0.000 0.464 188 L N 1.570 122.750 121.223 -0.071 0.000 2.333 188 L HA 0.521 4.861 4.340 0.000 0.000 0.269 188 L C 0.299 177.155 176.870 -0.024 0.000 1.010 188 L CA -1.260 53.550 54.840 -0.050 0.000 0.818 188 L CB 1.869 43.880 42.059 -0.080 0.000 1.306 188 L HN 0.189 nan 8.230 nan 0.000 0.430 189 Q N 2.155 121.955 119.800 -0.000 0.000 2.235 189 Q HA 0.429 4.769 4.340 0.000 0.000 0.256 189 Q C -2.370 173.649 176.000 0.032 0.000 0.951 189 Q CA -1.947 53.864 55.803 0.012 0.000 0.890 189 Q CB 1.623 30.369 28.738 0.013 0.000 1.279 189 Q HN 0.293 nan 8.270 nan 0.000 0.444 190 P HA 0.045 nan 4.420 nan 0.000 0.276 190 P C -0.304 177.025 177.300 0.048 0.000 1.230 190 P CA -0.575 62.558 63.100 0.055 0.000 0.776 190 P CB 0.633 32.362 31.700 0.048 0.000 0.888 191 L N 3.170 124.425 121.223 0.053 0.000 2.513 191 L HA 0.170 4.510 4.340 0.000 0.000 0.272 191 L C -0.102 176.789 176.870 0.034 0.000 1.187 191 L CA 0.695 55.559 54.840 0.040 0.000 0.895 191 L CB -0.584 41.496 42.059 0.034 0.000 1.147 191 L HN 0.295 nan 8.230 nan 0.000 0.483 192 D N 4.635 125.059 120.400 0.040 0.000 2.425 192 D HA 0.248 4.888 4.640 0.000 0.000 0.240 192 D C -0.140 176.197 176.300 0.061 0.000 1.080 192 D CA -0.203 53.822 54.000 0.043 0.000 0.836 192 D CB 0.813 41.642 40.800 0.048 0.000 1.125 192 D HN 0.624 nan 8.370 nan 0.000 0.525 193 L N 3.173 124.419 121.223 0.039 0.000 2.848 193 L HA 0.114 4.454 4.340 0.000 0.000 0.240 193 L C 1.867 178.762 176.870 0.041 0.000 1.232 193 L CA -0.143 54.726 54.840 0.048 0.000 1.031 193 L CB -0.177 41.891 42.059 0.015 0.000 1.338 193 L HN 0.396 nan 8.230 nan 0.000 0.509 194 S N -2.113 113.596 115.700 0.017 0.000 2.442 194 S HA -0.219 4.251 4.470 0.000 0.000 0.236 194 S C 1.456 175.983 174.600 -0.123 0.000 1.007 194 S CA 0.990 59.146 58.200 -0.072 0.000 0.965 194 S CB -0.471 62.646 63.200 -0.140 0.000 0.773 194 S HN 0.547 nan 8.310 nan 0.000 0.504 195 H N 1.550 120.612 119.070 -0.012 0.000 2.556 195 H HA 0.341 4.897 4.556 0.000 0.000 0.268 195 H C 0.551 175.869 175.328 -0.017 0.000 0.996 195 H CA 0.429 56.466 56.048 -0.018 0.000 1.157 195 H CB -0.094 29.654 29.762 -0.023 0.000 1.355 195 H HN 0.343 nan 8.280 nan 0.000 0.597 196 R N 0.941 121.488 120.500 0.079 0.000 3.532 196 R HA -0.128 4.212 4.340 0.000 0.000 0.284 196 R C -0.788 175.555 176.300 0.073 0.000 1.140 196 R CA 0.817 56.952 56.100 0.059 0.000 0.768 196 R CB -1.853 28.472 30.300 0.042 0.000 1.252 196 R HN 0.551 nan 8.270 nan 0.000 0.454 197 D N -0.935 119.512 120.400 0.077 0.000 2.525 197 D HA 0.227 4.867 4.640 0.000 0.000 0.229 197 D C 1.219 177.555 176.300 0.059 0.000 1.202 197 D CA 0.322 54.363 54.000 0.067 0.000 0.828 197 D CB 0.355 41.180 40.800 0.041 0.000 1.008 197 D HN 0.294 nan 8.370 nan 0.000 0.493 198 A N 0.389 123.240 122.820 0.051 0.000 1.972 198 A HA -0.105 4.215 4.320 0.000 0.000 0.219 198 A C 1.923 179.522 177.584 0.025 0.000 1.169 198 A CA 0.772 52.821 52.037 0.019 0.000 0.635 198 A CB -0.457 18.538 19.000 -0.008 0.000 0.810 198 A HN 0.277 nan 8.150 nan 0.000 0.446 199 L N -0.722 120.548 121.223 0.078 0.000 2.465 199 L HA -0.005 4.335 4.340 0.000 0.000 0.224 199 L C 2.666 179.590 176.870 0.090 0.000 1.145 199 L CA 1.264 56.163 54.840 0.098 0.000 0.834 199 L CB -0.520 41.648 42.059 0.183 0.000 0.944 199 L HN 0.382 nan 8.230 nan 0.000 0.451 200 A N -1.206 121.665 122.820 0.085 0.000 2.067 200 A HA 0.025 4.345 4.320 0.000 0.000 0.217 200 A C 2.138 179.742 177.584 0.033 0.000 1.156 200 A CA 1.014 53.094 52.037 0.071 0.000 0.683 200 A CB -0.265 18.775 19.000 0.066 0.000 0.808 200 A HN 0.390 nan 8.150 nan 0.000 0.455 201 L N -1.086 120.145 121.223 0.014 0.000 2.425 201 L HA 0.120 4.460 4.340 0.000 0.000 0.215 201 L C 0.028 176.883 176.870 -0.025 0.000 1.065 201 L CA 0.251 55.085 54.840 -0.009 0.000 0.842 201 L CB 0.351 42.398 42.059 -0.020 0.000 1.033 201 L HN 0.054 nan 8.230 nan 0.000 0.474 202 V N 1.899 121.793 119.914 -0.035 0.000 2.218 202 V HA 0.381 4.501 4.120 0.000 0.000 0.261 202 V C -0.480 175.594 176.094 -0.033 0.000 1.142 202 V CA -0.236 62.026 62.300 -0.064 0.000 0.965 202 V CB -0.120 31.626 31.823 -0.128 0.000 1.190 202 V HN 0.323 nan 8.190 nan 0.000 0.478 203 N N 1.883 120.577 118.700 -0.011 0.000 3.348 203 N HA 0.515 5.255 4.740 0.000 0.000 0.233 203 N C -0.052 175.481 175.510 0.039 0.000 1.440 203 N CA 0.607 53.671 53.050 0.022 0.000 0.887 203 N CB 2.271 40.790 38.487 0.053 0.000 1.410 203 N HN 0.754 nan 8.380 nan 0.000 0.502 204 G N 0.012 108.866 108.800 0.091 0.000 2.645 204 G HA2 -0.239 3.721 3.960 0.000 0.000 0.239 204 G HA3 -0.239 3.721 3.960 0.000 0.000 0.239 204 G C 0.158 175.106 174.900 0.078 0.000 1.331 204 G CA 0.500 45.658 45.100 0.096 0.000 0.890 204 G HN 1.222 nan 8.290 nan 0.000 0.572 205 T N -3.176 111.408 114.554 0.051 0.000 3.269 205 T HA 0.577 4.927 4.350 0.000 0.000 0.269 205 T C 1.762 176.468 174.700 0.011 0.000 0.993 205 T CA 0.943 63.065 62.100 0.037 0.000 0.909 205 T CB 0.456 69.344 68.868 0.033 0.000 1.115 205 T HN 0.858 nan 8.240 nan 0.000 0.543 206 S N 1.656 117.359 115.700 0.004 0.000 2.383 206 S HA -0.066 4.404 4.470 0.000 0.000 0.229 206 S C 2.453 177.046 174.600 -0.012 0.000 1.030 206 S CA 1.262 59.456 58.200 -0.011 0.000 1.002 206 S CB -0.546 62.644 63.200 -0.016 0.000 0.829 206 S HN 0.830 nan 8.310 nan 0.000 0.467 207 A N 2.693 125.510 122.820 -0.005 0.000 1.854 207 A HA -0.063 4.257 4.320 0.000 0.000 0.214 207 A C 2.281 179.869 177.584 0.006 0.000 1.192 207 A CA 1.687 53.722 52.037 -0.003 0.000 0.611 207 A CB -0.794 18.206 19.000 0.000 0.000 0.832 207 A HN 0.652 nan 8.150 nan 0.000 0.442 208 M N -1.462 118.146 119.600 0.013 0.000 2.213 208 M HA -0.090 4.390 4.480 0.000 0.000 0.263 208 M C 1.783 178.090 176.300 0.013 0.000 1.062 208 M CA 2.297 57.609 55.300 0.020 0.000 1.105 208 M CB -1.306 31.308 32.600 0.024 0.000 1.385 208 M HN 0.159 nan 8.290 nan 0.000 0.417 209 T N 1.124 115.676 114.554 -0.003 0.000 2.777 209 T HA 0.011 4.361 4.350 0.000 0.000 0.266 209 T C 1.967 176.664 174.700 -0.006 0.000 1.040 209 T CA 1.622 63.712 62.100 -0.018 0.000 1.141 209 T CB -0.699 68.150 68.868 -0.032 0.000 0.868 209 T HN 0.720 nan 8.240 nan 0.000 0.444 210 G N 1.263 110.059 108.800 -0.006 0.000 2.402 210 G HA2 -0.108 3.852 3.960 0.000 0.000 0.216 210 G HA3 -0.108 3.852 3.960 0.000 0.000 0.216 210 G C 1.521 176.436 174.900 0.024 0.000 1.162 210 G CA 0.422 45.518 45.100 -0.006 0.000 0.777 210 G HN 0.482 nan 8.290 nan 0.000 0.539 211 I N 1.442 122.031 120.570 0.032 0.000 2.226 211 I HA -0.171 3.999 4.170 0.000 0.000 0.245 211 I C 3.253 179.424 176.117 0.089 0.000 1.100 211 I CA 1.055 62.389 61.300 0.057 0.000 1.374 211 I CB -0.170 37.860 38.000 0.051 0.000 1.057 211 I HN 0.234 nan 8.210 nan 0.000 0.413 212 A N 1.184 124.058 122.820 0.090 0.000 1.969 212 A HA -0.148 4.172 4.320 0.000 0.000 0.218 212 A C 2.233 179.924 177.584 0.178 0.000 1.169 212 A CA 1.656 53.785 52.037 0.154 0.000 0.635 212 A CB -0.758 18.302 19.000 0.101 0.000 0.810 212 A HN 0.513 nan 8.150 nan 0.000 0.445 213 L N -2.144 119.146 121.223 0.112 0.000 2.217 213 L HA 0.039 4.380 4.340 0.000 0.000 0.211 213 L C 1.923 178.904 176.870 0.185 0.000 1.107 213 L CA 1.454 56.369 54.840 0.126 0.000 0.783 213 L CB -1.032 41.068 42.059 0.068 0.000 0.919 213 L HN -0.005 nan 8.230 nan 0.000 0.442 214 V N 0.825 120.848 119.914 0.181 0.000 2.453 214 V HA -0.153 3.967 4.120 0.000 0.000 0.247 214 V C 2.443 178.661 176.094 0.207 0.000 1.048 214 V CA 1.640 64.087 62.300 0.244 0.000 1.049 214 V CB -0.947 30.988 31.823 0.187 0.000 0.672 214 V HN 0.496 nan 8.190 nan 0.000 0.457 215 N N 0.956 119.753 118.700 0.162 0.000 2.120 215 N HA -0.133 4.607 4.740 0.000 0.000 0.188 215 N C 1.930 177.498 175.510 0.097 0.000 1.024 215 N CA 1.726 54.849 53.050 0.121 0.000 0.852 215 N CB -0.573 37.970 38.487 0.093 0.000 1.003 215 N HN 0.475 nan 8.380 nan 0.000 0.424 216 A N 0.351 123.256 122.820 0.141 0.000 1.908 216 A HA -0.222 4.098 4.320 0.000 0.000 0.218 216 A C 2.125 179.737 177.584 0.047 0.000 1.181 216 A CA 1.936 54.039 52.037 0.110 0.000 0.627 216 A CB -0.977 18.143 19.000 0.200 0.000 0.818 216 A HN 0.467 nan 8.150 nan 0.000 0.445 217 H N -0.263 118.783 119.070 -0.041 0.000 2.321 217 H HA 0.054 4.610 4.556 0.000 0.000 0.300 217 H C 2.227 177.485 175.328 -0.116 0.000 1.087 217 H CA 1.970 57.910 56.048 -0.180 0.000 1.319 217 H CB -0.249 29.255 29.762 -0.430 0.000 1.379 217 H HN 0.398 nan 8.280 nan 0.000 0.501 218 A N -0.307 122.548 122.820 0.059 0.000 1.902 218 A HA -0.193 4.127 4.320 0.000 0.000 0.217 218 A C 2.702 180.283 177.584 -0.005 0.000 1.181 218 A CA 1.534 53.609 52.037 0.063 0.000 0.623 218 A CB -1.235 17.832 19.000 0.112 0.000 0.818 218 A HN 0.654 nan 8.150 nan 0.000 0.443 219 C N -1.303 118.010 119.300 0.023 0.000 2.422 219 C HA -0.034 4.426 4.460 0.000 0.000 0.279 219 C C 2.778 177.753 174.990 -0.024 0.000 1.305 219 C CA 1.126 60.197 59.018 0.089 0.000 1.757 219 C CB -1.365 26.458 27.740 0.139 0.000 1.962 219 C HN 0.729 nan 8.230 nan 0.000 0.499 220 R N -0.082 120.304 120.500 -0.190 0.000 2.073 220 R HA -0.126 4.214 4.340 0.000 0.000 0.234 220 R C 2.250 178.344 176.300 -0.343 0.000 1.134 220 R CA 1.518 57.422 56.100 -0.327 0.000 0.952 220 R CB -0.412 29.595 30.300 -0.489 0.000 0.850 220 R HN 0.601 nan 8.270 nan 0.000 0.433 221 H N 0.528 119.466 119.070 -0.218 0.000 2.357 221 H HA -0.084 4.472 4.556 0.000 0.000 0.301 221 H C 2.180 177.489 175.328 -0.031 0.000 1.082 221 H CA 1.598 57.564 56.048 -0.136 0.000 1.342 221 H CB -0.171 29.514 29.762 -0.128 0.000 1.389 221 H HN 0.246 nan 8.280 nan 0.000 0.511 222 L N -0.201 120.985 121.223 -0.061 0.000 2.131 222 L HA -0.076 4.264 4.340 0.000 0.000 0.210 222 L C 2.742 179.444 176.870 -0.280 0.000 1.092 222 L CA 1.018 55.634 54.840 -0.374 0.000 0.759 222 L CB -0.724 40.718 42.059 -1.029 0.000 0.903 222 L HN 0.294 nan 8.230 nan 0.000 0.435 223 G N -0.149 108.627 108.800 -0.040 0.000 2.422 223 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 223 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 223 G C 1.401 176.381 174.900 0.132 0.000 1.146 223 G CA 0.470 45.724 45.100 0.257 0.000 0.769 223 G HN 0.306 nan 8.290 nan 0.000 0.547 224 N N 0.093 118.768 118.700 -0.042 0.000 2.188 224 N HA -0.084 4.656 4.740 0.000 0.000 0.184 224 N C 1.839 177.257 175.510 -0.153 0.000 1.018 224 N CA 0.831 53.800 53.050 -0.135 0.000 0.858 224 N CB -0.330 38.019 38.487 -0.230 0.000 0.989 224 N HN 0.577 nan 8.380 nan 0.000 0.426 225 W N 1.614 122.866 121.300 -0.081 0.000 2.388 225 W HA 0.054 4.714 4.660 0.000 0.000 0.294 225 W C 2.498 178.990 176.519 -0.044 0.000 1.212 225 W CA 1.149 58.444 57.345 -0.085 0.000 1.271 225 W CB -0.409 28.956 29.460 -0.159 0.000 1.126 225 W HN 0.030 nan 8.180 nan 0.000 0.535 226 A N -0.146 122.794 122.820 0.199 0.000 1.908 226 A HA -0.186 4.134 4.320 0.000 0.000 0.218 226 A C 1.996 179.666 177.584 0.143 0.000 1.181 226 A CA 2.179 54.347 52.037 0.219 0.000 0.627 226 A CB -1.119 18.104 19.000 0.371 0.000 0.818 226 A HN 0.097 nan 8.150 nan 0.000 0.445 227 V N -0.311 119.673 119.914 0.116 0.000 2.307 227 V HA -0.212 3.908 4.120 0.000 0.000 0.245 227 V C 3.072 179.150 176.094 -0.027 0.000 1.045 227 V CA 1.920 64.233 62.300 0.021 0.000 1.024 227 V CB -1.204 30.637 31.823 0.030 0.000 0.651 227 V HN 0.615 nan 8.190 nan 0.000 0.449 228 A N -0.323 122.471 122.820 -0.043 0.000 1.933 228 A HA -0.148 4.172 4.320 0.000 0.000 0.218 228 A C 2.179 179.779 177.584 0.028 0.000 1.175 228 A CA 1.774 53.773 52.037 -0.062 0.000 0.628 228 A CB -0.505 18.371 19.000 -0.207 0.000 0.814 228 A HN 0.523 nan 8.150 nan 0.000 0.444 229 L N -1.181 120.099 121.223 0.095 0.000 2.179 229 L HA -0.086 4.254 4.340 0.000 0.000 0.208 229 L C 2.638 179.570 176.870 0.104 0.000 1.096 229 L CA 1.424 56.338 54.840 0.123 0.000 0.779 229 L CB -0.818 41.338 42.059 0.162 0.000 0.922 229 L HN 0.301 nan 8.230 nan 0.000 0.443 230 T N 0.194 114.800 114.554 0.088 0.000 2.777 230 T HA -0.131 4.219 4.350 0.000 0.000 0.266 230 T C 2.061 176.870 174.700 0.182 0.000 1.040 230 T CA 1.329 63.493 62.100 0.106 0.000 1.141 230 T CB -0.110 68.768 68.868 0.018 0.000 0.868 230 T HN 0.429 nan 8.240 nan 0.000 0.444 231 A N 1.267 124.159 122.820 0.120 0.000 1.877 231 A HA 0.001 4.321 4.320 0.000 0.000 0.216 231 A C 2.202 179.901 177.584 0.191 0.000 1.186 231 A CA 1.179 53.349 52.037 0.221 0.000 0.620 231 A CB -0.805 18.258 19.000 0.106 0.000 0.822 231 A HN 0.396 nan 8.150 nan 0.000 0.443 232 L N -0.776 120.518 121.223 0.119 0.000 2.141 232 L HA -0.076 4.264 4.340 0.000 0.000 0.209 232 L C 2.192 179.116 176.870 0.089 0.000 1.094 232 L CA 1.697 56.591 54.840 0.090 0.000 0.763 232 L CB -0.642 41.461 42.059 0.073 0.000 0.908 232 L HN 0.381 nan 8.230 nan 0.000 0.437 233 L N -0.266 121.022 121.223 0.107 0.000 2.046 233 L HA -0.098 4.242 4.340 0.000 0.000 0.208 233 L C 2.484 179.410 176.870 0.093 0.000 1.077 233 L CA 2.026 56.922 54.840 0.092 0.000 0.747 233 L CB -0.967 41.157 42.059 0.108 0.000 0.896 233 L HN 0.254 nan 8.230 nan 0.000 0.432 234 A N -0.855 122.053 122.820 0.145 0.000 1.933 234 A HA -0.206 4.115 4.320 0.000 0.000 0.218 234 A C 2.129 179.730 177.584 0.029 0.000 1.175 234 A CA 1.753 53.838 52.037 0.079 0.000 0.628 234 A CB -0.598 18.460 19.000 0.097 0.000 0.814 234 A HN 0.629 nan 8.150 nan 0.000 0.444 235 E N -1.131 119.102 120.200 0.054 0.000 2.347 235 E HA -0.113 4.237 4.350 0.000 0.000 0.196 235 E C 1.559 178.170 176.600 0.018 0.000 1.008 235 E CA 0.887 57.304 56.400 0.030 0.000 0.852 235 E CB -0.231 29.494 29.700 0.041 0.000 0.783 235 E HN 0.683 nan 8.360 nan 0.000 0.505 236 C N -0.075 119.238 119.300 0.023 0.000 2.735 236 C HA 0.179 4.639 4.460 0.000 0.000 0.271 236 C C 1.690 176.682 174.990 0.003 0.000 1.281 236 C CA -0.042 58.983 59.018 0.011 0.000 1.719 236 C CB -0.132 27.615 27.740 0.010 0.000 2.024 236 C HN 0.312 nan 8.230 nan 0.000 0.566 237 L N -0.064 121.161 121.223 0.004 0.000 3.168 237 L HA 0.287 4.627 4.340 0.000 0.000 0.277 237 L C 0.322 177.182 176.870 -0.016 0.000 1.245 237 L CA -0.079 54.758 54.840 -0.005 0.000 1.035 237 L CB -0.278 41.782 42.059 0.002 0.000 1.399 237 L HN 0.226 nan 8.230 nan 0.000 0.580 238 R N 0.609 121.096 120.500 -0.021 0.000 3.333 238 R HA -0.157 4.183 4.340 0.000 0.000 0.256 238 R C 0.719 176.981 176.300 -0.063 0.000 1.010 238 R CA 0.426 56.506 56.100 -0.034 0.000 0.680 238 R CB -1.908 28.380 30.300 -0.020 0.000 1.102 238 R HN 0.509 nan 8.270 nan 0.000 0.440 239 G N 0.641 109.388 108.800 -0.088 0.000 2.554 239 G HA2 0.167 4.127 3.960 0.000 0.000 0.238 239 G HA3 0.167 4.127 3.960 0.000 0.000 0.238 239 G C 0.003 174.752 174.900 -0.251 0.000 1.259 239 G CA -0.553 44.449 45.100 -0.163 0.000 0.843 239 G HN 0.247 nan 8.290 nan 0.000 0.582 240 R N 0.710 121.033 120.500 -0.295 0.000 2.202 240 R HA 0.223 4.563 4.340 0.000 0.000 0.334 240 R C 1.565 177.553 176.300 -0.520 0.000 1.036 240 R CA 0.191 56.109 56.100 -0.302 0.000 0.878 240 R CB 0.847 31.035 30.300 -0.187 0.000 1.067 240 R HN 0.710 nan 8.270 nan 0.000 0.457 241 T N -1.137 113.146 114.554 -0.451 0.000 3.072 241 T HA -0.139 4.211 4.350 0.000 0.000 0.266 241 T C 1.414 175.954 174.700 -0.267 0.000 1.127 241 T CA 0.927 62.741 62.100 -0.477 0.000 1.107 241 T CB -0.040 68.695 68.868 -0.222 0.000 0.910 241 T HN 0.733 nan 8.240 nan 0.000 0.513 242 E N 1.786 121.871 120.200 -0.191 0.000 2.265 242 E HA -0.014 4.336 4.350 0.000 0.000 0.196 242 E C 2.204 178.772 176.600 -0.052 0.000 0.996 242 E CA 0.888 57.238 56.400 -0.084 0.000 0.832 242 E CB -0.550 29.117 29.700 -0.055 0.000 0.756 242 E HN 0.612 nan 8.360 nan 0.000 0.491 243 A N 0.747 123.488 122.820 -0.131 0.000 2.121 243 A HA -0.078 4.242 4.320 0.000 0.000 0.218 243 A C 0.963 178.684 177.584 0.228 0.000 1.154 243 A CA 0.615 52.645 52.037 -0.012 0.000 0.679 243 A CB -0.585 18.373 19.000 -0.069 0.000 0.795 243 A HN 0.485 nan 8.150 nan 0.000 0.458 244 W N -0.294 121.006 121.300 -0.001 0.000 3.239 244 W HA 0.599 5.259 4.660 0.000 0.000 0.368 244 W C 0.828 177.349 176.519 0.002 0.000 1.154 244 W CA -1.088 56.257 57.345 0.001 0.000 1.860 244 W CB -1.311 28.151 29.460 0.004 0.000 1.094 244 W HN 0.340 nan 8.180 nan 0.000 0.643 245 A N 0.863 123.793 122.820 0.183 0.000 2.498 245 A HA 0.418 4.738 4.320 0.000 0.000 0.239 245 A C 1.691 179.328 177.584 0.089 0.000 1.068 245 A CA 0.716 52.818 52.037 0.108 0.000 0.766 245 A CB 0.561 19.597 19.000 0.061 0.000 1.003 245 A HN 0.258 nan 8.150 nan 0.000 0.497 246 A N 2.402 125.263 122.820 0.068 0.000 1.972 246 A HA 0.124 4.445 4.320 0.000 0.000 0.219 246 A C 2.330 179.936 177.584 0.037 0.000 1.169 246 A CA 2.198 54.264 52.037 0.049 0.000 0.635 246 A CB -0.893 18.130 19.000 0.038 0.000 0.810 246 A HN 1.742 nan 8.150 nan 0.000 0.446 247 A N -0.274 122.566 122.820 0.033 0.000 1.978 247 A HA -0.057 4.264 4.320 0.000 0.000 0.220 247 A C 2.114 179.711 177.584 0.022 0.000 1.170 247 A CA 1.489 53.540 52.037 0.023 0.000 0.636 247 A CB -0.512 18.500 19.000 0.020 0.000 0.810 247 A HN 0.494 nan 8.150 nan 0.000 0.448 248 L N -0.690 120.553 121.223 0.034 0.000 2.109 248 L HA -0.116 4.224 4.340 0.000 0.000 0.207 248 L C 2.792 179.678 176.870 0.027 0.000 1.086 248 L CA 1.221 56.080 54.840 0.032 0.000 0.760 248 L CB -0.352 41.736 42.059 0.048 0.000 0.910 248 L HN 0.321 nan 8.230 nan 0.000 0.437 249 S N -0.245 115.475 115.700 0.033 0.000 2.368 249 S HA -0.178 4.292 4.470 0.000 0.000 0.225 249 S C 1.491 176.096 174.600 0.008 0.000 1.030 249 S CA 1.336 59.552 58.200 0.027 0.000 0.999 249 S CB -0.268 62.952 63.200 0.033 0.000 0.844 249 S HN 0.442 nan 8.310 nan 0.000 0.459 250 D N 1.434 121.838 120.400 0.006 0.000 2.178 250 D HA -0.016 4.624 4.640 0.000 0.000 0.201 250 D C 1.742 178.031 176.300 -0.018 0.000 0.980 250 D CA 0.665 54.662 54.000 -0.006 0.000 0.842 250 D CB -0.276 40.523 40.800 -0.001 0.000 0.948 250 D HN 0.327 nan 8.370 nan 0.000 0.472 251 L N -0.512 120.704 121.223 -0.013 0.000 2.217 251 L HA 0.006 4.346 4.340 0.000 0.000 0.211 251 L C 1.573 178.420 176.870 -0.038 0.000 1.107 251 L CA 0.570 55.398 54.840 -0.020 0.000 0.783 251 L CB 0.138 42.192 42.059 -0.009 0.000 0.919 251 L HN -0.171 nan 8.230 nan 0.000 0.442 252 R N 0.748 121.222 120.500 -0.043 0.000 2.644 252 R HA 0.190 4.530 4.340 0.000 0.000 0.271 252 R C -2.198 174.028 176.300 -0.123 0.000 1.687 252 R CA -1.397 54.652 56.100 -0.086 0.000 1.655 252 R CB 0.873 31.164 30.300 -0.015 0.000 1.285 252 R HN -0.146 nan 8.270 nan 0.000 0.643 253 P HA -0.085 nan 4.420 nan 0.000 0.297 253 P C -0.684 176.538 177.300 -0.131 0.000 1.544 253 P CA 0.243 63.271 63.100 -0.119 0.000 0.798 253 P CB -0.345 31.300 31.700 -0.092 0.000 1.757 254 H N 0.882 119.952 119.070 0.000 0.000 2.848 254 H HA 0.087 4.643 4.556 0.000 0.000 0.317 254 H C -1.299 174.040 175.328 0.019 0.000 1.046 254 H CA -1.496 54.555 56.048 0.005 0.000 1.470 254 H CB 0.484 30.244 29.762 -0.004 0.000 1.483 254 H HN 0.093 nan 8.280 nan 0.000 0.548 255 P HA -0.158 nan 4.420 nan 0.000 0.215 255 P C 1.649 179.022 177.300 0.122 0.000 1.157 255 P CA 1.686 64.848 63.100 0.103 0.000 0.874 255 P CB 0.113 31.867 31.700 0.091 0.000 0.790 256 G N -0.460 108.431 108.800 0.151 0.000 2.422 256 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 256 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 256 G C 1.672 176.672 174.900 0.166 0.000 1.146 256 G CA 0.664 45.885 45.100 0.202 0.000 0.769 256 G HN 0.326 nan 8.290 nan 0.000 0.547 257 Q N 0.082 119.944 119.800 0.104 0.000 2.083 257 Q HA -0.049 4.291 4.340 0.000 0.000 0.198 257 Q C 2.457 178.490 176.000 0.056 0.000 0.969 257 Q CA 1.448 57.282 55.803 0.053 0.000 0.838 257 Q CB -0.180 28.603 28.738 0.075 0.000 0.900 257 Q HN 0.511 nan 8.270 nan 0.000 0.436 258 K N 0.187 120.630 120.400 0.072 0.000 2.057 258 K HA -0.222 4.098 4.320 0.000 0.000 0.207 258 K C 1.653 178.283 176.600 0.051 0.000 1.049 258 K CA 1.848 58.166 56.287 0.052 0.000 0.931 258 K CB -0.144 32.383 32.500 0.046 0.000 0.714 258 K HN 0.181 nan 8.250 nan 0.000 0.440 259 D N -0.072 120.374 120.400 0.077 0.000 2.097 259 D HA -0.107 4.534 4.640 0.000 0.000 0.195 259 D C 1.709 178.066 176.300 0.095 0.000 0.989 259 D CA 1.516 55.561 54.000 0.075 0.000 0.827 259 D CB -0.061 40.791 40.800 0.086 0.000 0.966 259 D HN 0.324 nan 8.370 nan 0.000 0.456 260 A N 0.542 123.459 122.820 0.162 0.000 1.877 260 A HA 0.001 4.321 4.320 0.000 0.000 0.216 260 A C 2.392 179.934 177.584 -0.070 0.000 1.186 260 A CA 2.385 54.493 52.037 0.118 0.000 0.620 260 A CB -1.162 17.829 19.000 -0.015 0.000 0.822 260 A HN 0.327 nan 8.150 nan 0.000 0.443 261 A N -0.208 122.568 122.820 -0.073 0.000 1.902 261 A HA 0.156 4.476 4.320 0.000 0.000 0.217 261 A C 2.516 180.074 177.584 -0.043 0.000 1.181 261 A CA 2.163 54.141 52.037 -0.098 0.000 0.623 261 A CB -1.043 17.957 19.000 -0.000 0.000 0.818 261 A HN 1.090 nan 8.150 nan 0.000 0.443 262 A N -0.294 122.523 122.820 -0.006 0.000 1.933 262 A HA -0.156 4.164 4.320 0.000 0.000 0.218 262 A C 2.237 179.813 177.584 -0.013 0.000 1.175 262 A CA 1.612 53.653 52.037 0.007 0.000 0.628 262 A CB -0.423 18.583 19.000 0.010 0.000 0.814 262 A HN 0.548 nan 8.150 nan 0.000 0.444 263 R N -0.674 119.806 120.500 -0.033 0.000 2.092 263 R HA 0.045 4.385 4.340 0.000 0.000 0.231 263 R C 2.013 178.263 176.300 -0.083 0.000 1.119 263 R CA 1.215 57.285 56.100 -0.049 0.000 0.970 263 R CB -0.420 29.857 30.300 -0.038 0.000 0.864 263 R HN 0.501 nan 8.270 nan 0.000 0.440 264 L N 0.158 121.278 121.223 -0.172 0.000 2.027 264 L HA -0.159 4.181 4.340 0.000 0.000 0.206 264 L C 2.535 179.398 176.870 -0.011 0.000 1.074 264 L CA 1.408 56.065 54.840 -0.306 0.000 0.745 264 L CB -0.334 41.154 42.059 -0.950 0.000 0.898 264 L HN 0.139 nan 8.230 nan 0.000 0.433 265 R N -0.087 120.462 120.500 0.082 0.000 2.091 265 R HA -0.167 4.173 4.340 0.000 0.000 0.238 265 R C 2.405 178.764 176.300 0.098 0.000 1.136 265 R CA 1.414 57.618 56.100 0.174 0.000 0.959 265 R CB -0.596 29.785 30.300 0.135 0.000 0.856 265 R HN 0.367 nan 8.270 nan 0.000 0.437 266 A N 1.396 124.242 122.820 0.043 0.000 1.902 266 A HA -0.162 4.158 4.320 0.000 0.000 0.217 266 A C 2.070 179.666 177.584 0.021 0.000 1.181 266 A CA 1.166 53.216 52.037 0.021 0.000 0.623 266 A CB -0.299 18.698 19.000 -0.005 0.000 0.818 266 A HN 0.115 nan 8.150 nan 0.000 0.443 267 R N -0.232 120.278 120.500 0.017 0.000 2.105 267 R HA -0.118 4.222 4.340 0.000 0.000 0.239 267 R C 1.916 178.249 176.300 0.054 0.000 1.135 267 R CA 1.752 57.862 56.100 0.016 0.000 0.967 267 R CB -1.356 28.945 30.300 0.001 0.000 0.861 267 R HN 0.683 nan 8.270 nan 0.000 0.442 268 V N -0.837 119.140 119.914 0.106 0.000 3.633 268 V HA 0.112 4.232 4.120 0.000 0.000 0.283 268 V C 0.193 176.327 176.094 0.065 0.000 1.305 268 V CA -0.590 61.774 62.300 0.107 0.000 1.153 268 V CB -0.545 31.383 31.823 0.175 0.000 0.950 268 V HN -0.086 nan 8.190 nan 0.000 0.432 269 D N 1.410 121.841 120.400 0.052 0.000 2.458 269 D HA 0.415 5.055 4.640 0.000 0.000 0.243 269 D C 1.459 177.771 176.300 0.020 0.000 1.146 269 D CA 1.940 55.959 54.000 0.032 0.000 0.877 269 D CB 0.589 41.403 40.800 0.024 0.000 1.176 269 D HN 0.550 nan 8.370 nan 0.000 0.461 270 G N 2.381 111.189 108.800 0.012 0.000 2.195 270 G HA2 -0.268 3.692 3.960 0.000 0.000 0.246 270 G HA3 -0.268 3.692 3.960 0.000 0.000 0.246 270 G C 0.488 175.391 174.900 0.006 0.000 0.984 270 G CA 0.346 45.450 45.100 0.007 0.000 0.633 270 G HN 0.795 nan 8.290 nan 0.000 0.525 271 S N 0.238 115.943 115.700 0.008 0.000 2.565 271 S HA 0.646 5.116 4.470 0.000 0.000 0.276 271 S C 1.254 175.849 174.600 -0.009 0.000 1.326 271 S CA 0.832 59.035 58.200 0.005 0.000 1.045 271 S CB 1.285 64.494 63.200 0.014 0.000 0.918 271 S HN 1.615 nan 8.310 nan 0.000 0.505 272 A N 5.237 128.052 122.820 -0.007 0.000 2.470 272 A HA 0.332 4.652 4.320 0.000 0.000 0.251 272 A C 1.732 179.307 177.584 -0.014 0.000 1.245 272 A CA -0.352 51.677 52.037 -0.013 0.000 0.932 272 A CB 0.080 19.077 19.000 -0.005 0.000 1.037 272 A HN 0.728 nan 8.150 nan 0.000 0.522 273 R N -0.135 120.358 120.500 -0.012 0.000 2.265 273 R HA 0.103 4.444 4.340 0.000 0.000 0.194 273 R C 0.788 177.071 176.300 -0.027 0.000 0.931 273 R CA 0.917 57.010 56.100 -0.012 0.000 1.032 273 R CB -0.413 29.886 30.300 -0.001 0.000 0.980 273 R HN 0.493 nan 8.270 nan 0.000 0.497 274 V N -1.216 118.670 119.914 -0.046 0.000 2.997 274 V HA 0.429 4.550 4.120 0.000 0.000 0.311 274 V C 0.516 176.544 176.094 -0.109 0.000 1.066 274 V CA -0.923 61.327 62.300 -0.084 0.000 1.039 274 V CB 1.906 33.665 31.823 -0.107 0.000 1.081 274 V HN -0.263 nan 8.190 nan 0.000 0.467 275 V N 3.771 123.606 119.914 -0.131 0.000 2.364 275 V HA 0.447 4.567 4.120 0.000 0.000 0.272 275 V C 1.020 176.979 176.094 -0.225 0.000 1.036 275 V CA -0.263 61.953 62.300 -0.142 0.000 0.880 275 V CB 0.749 32.549 31.823 -0.039 0.000 0.991 275 V HN 0.930 nan 8.190 nan 0.000 0.460 276 R N 1.639 121.910 120.500 -0.382 0.000 2.362 276 R HA 0.196 4.536 4.340 0.000 0.000 0.227 276 R C -0.081 176.053 176.300 -0.276 0.000 0.905 276 R CA -0.182 55.733 56.100 -0.307 0.000 1.067 276 R CB 0.186 30.330 30.300 -0.259 0.000 1.078 276 R HN 0.779 nan 8.270 nan 0.000 0.516 277 H N -0.069 118.975 119.070 -0.044 0.000 2.815 277 H HA 0.084 4.640 4.556 0.000 0.000 0.350 277 H C -0.163 175.143 175.328 -0.036 0.000 1.080 277 H CA -0.293 55.734 56.048 -0.034 0.000 1.433 277 H CB 0.876 30.621 29.762 -0.029 0.000 1.432 277 H HN -0.213 nan 8.280 nan 0.000 0.592 278 V N 5.483 125.449 119.914 0.087 0.000 2.385 278 V HA -0.032 4.088 4.120 0.000 0.000 0.269 278 V C 1.756 177.876 176.094 0.043 0.000 1.043 278 V CA -0.040 62.283 62.300 0.039 0.000 0.906 278 V CB -0.090 31.747 31.823 0.024 0.000 0.995 278 V HN 0.807 nan 8.190 nan 0.000 0.467 279 I N 3.311 123.898 120.570 0.028 0.000 2.335 279 I HA -0.135 4.035 4.170 0.000 0.000 0.251 279 I C 2.110 178.231 176.117 0.007 0.000 1.129 279 I CA 1.962 63.272 61.300 0.015 0.000 1.402 279 I CB -0.284 37.720 38.000 0.007 0.000 1.069 279 I HN 0.551 nan 8.210 nan 0.000 0.424 280 A N 0.891 123.716 122.820 0.008 0.000 2.172 280 A HA -0.104 4.216 4.320 0.000 0.000 0.216 280 A C 2.154 179.741 177.584 0.005 0.000 1.154 280 A CA 1.138 53.178 52.037 0.005 0.000 0.701 280 A CB -0.535 18.468 19.000 0.005 0.000 0.789 280 A HN 0.520 nan 8.150 nan 0.000 0.465 281 E N 0.048 120.253 120.200 0.008 0.000 2.152 281 E HA -0.108 4.242 4.350 0.000 0.000 0.192 281 E C 1.157 177.757 176.600 -0.001 0.000 0.983 281 E CA 0.216 56.620 56.400 0.007 0.000 0.818 281 E CB -0.213 29.497 29.700 0.017 0.000 0.758 281 E HN 0.627 nan 8.360 nan 0.000 0.467 282 R N 1.713 122.209 120.500 -0.007 0.000 2.449 282 R HA 0.047 4.387 4.340 0.000 0.000 0.296 282 R C -0.367 175.925 176.300 -0.013 0.000 1.047 282 R CA 0.095 56.184 56.100 -0.017 0.000 1.018 282 R CB 0.368 30.651 30.300 -0.027 0.000 0.962 282 R HN -0.120 nan 8.270 nan 0.000 0.428 283 R N 5.249 125.741 120.500 -0.013 0.000 2.255 283 R HA 0.277 4.617 4.340 0.000 0.000 0.326 283 R C -0.427 175.866 176.300 -0.013 0.000 0.986 283 R CA -0.547 55.546 56.100 -0.010 0.000 0.847 283 R CB 1.097 31.392 30.300 -0.009 0.000 1.111 283 R HN 0.469 nan 8.270 nan 0.000 0.452 284 L N 2.910 124.127 121.223 -0.011 0.000 2.399 284 L HA 0.325 4.665 4.340 0.000 0.000 0.266 284 L C 0.220 177.084 176.870 -0.010 0.000 1.114 284 L CA -0.441 54.392 54.840 -0.012 0.000 0.804 284 L CB 0.783 42.836 42.059 -0.010 0.000 1.146 284 L HN 0.681 nan 8.230 nan 0.000 0.451 285 D N 0.725 121.118 120.400 -0.010 0.000 2.614 285 D HA 0.427 5.067 4.640 0.000 0.000 0.264 285 D C 0.525 176.820 176.300 -0.008 0.000 1.092 285 D CA -0.313 53.682 54.000 -0.009 0.000 1.071 285 D CB 1.223 42.018 40.800 -0.009 0.000 1.443 285 D HN 0.413 nan 8.370 nan 0.000 0.528 286 A N -0.049 122.766 122.820 -0.007 0.000 1.927 286 A HA -0.013 4.308 4.320 0.000 0.000 0.220 286 A C 2.018 179.597 177.584 -0.007 0.000 1.185 286 A CA 2.366 54.399 52.037 -0.007 0.000 0.639 286 A CB -1.671 17.325 19.000 -0.006 0.000 0.820 286 A HN 0.718 nan 8.150 nan 0.000 0.451 287 G N -1.204 107.591 108.800 -0.008 0.000 2.559 287 G HA2 -0.076 3.884 3.960 0.000 0.000 0.216 287 G HA3 -0.076 3.884 3.960 0.000 0.000 0.216 287 G C 0.885 175.778 174.900 -0.010 0.000 1.126 287 G CA 0.969 46.064 45.100 -0.009 0.000 0.778 287 G HN 0.520 nan 8.290 nan 0.000 0.543 288 D N 0.206 120.599 120.400 -0.011 0.000 2.346 288 D HA 0.036 4.676 4.640 0.000 0.000 0.206 288 D C 0.884 177.178 176.300 -0.011 0.000 1.001 288 D CA -0.075 53.917 54.000 -0.013 0.000 0.871 288 D CB 0.541 41.332 40.800 -0.014 0.000 0.943 288 D HN 0.130 nan 8.370 nan 0.000 0.518 289 I N 1.581 122.146 120.570 -0.009 0.000 2.587 289 I HA 0.313 4.484 4.170 0.000 0.000 0.284 289 I C 1.328 177.440 176.117 -0.007 0.000 1.134 289 I CA 0.698 61.993 61.300 -0.008 0.000 1.410 289 I CB 0.152 38.148 38.000 -0.006 0.000 1.392 289 I HN -0.017 nan 8.210 nan 0.000 0.545 290 G N 5.408 114.203 108.800 -0.007 0.000 2.344 290 G HA2 0.155 4.115 3.960 0.000 0.000 0.282 290 G HA3 0.155 4.115 3.960 0.000 0.000 0.282 290 G C -1.172 173.724 174.900 -0.007 0.000 1.281 290 G CA -0.665 44.431 45.100 -0.007 0.000 0.877 290 G HN 0.368 nan 8.290 nan 0.000 0.494 291 T N 2.068 116.617 114.554 -0.008 0.000 2.749 291 T HA 0.549 4.899 4.350 0.000 0.000 0.287 291 T C -0.170 174.525 174.700 -0.009 0.000 0.970 291 T CA -0.285 61.810 62.100 -0.008 0.000 0.980 291 T CB 1.300 70.164 68.868 -0.007 0.000 0.924 291 T HN 0.424 nan 8.240 nan 0.000 0.456 292 E N 3.280 123.474 120.200 -0.010 0.000 2.283 292 E HA 0.185 4.535 4.350 0.000 0.000 0.267 292 E C -1.359 175.235 176.600 -0.011 0.000 1.045 292 E CA -1.965 54.428 56.400 -0.012 0.000 0.884 292 E CB 0.763 30.455 29.700 -0.013 0.000 1.106 292 E HN 0.334 nan 8.360 nan 0.000 0.408 293 P HA -0.138 nan 4.420 nan 0.000 0.215 293 P C -0.522 176.772 177.300 -0.011 0.000 1.153 293 P CA 1.456 64.550 63.100 -0.011 0.000 0.853 293 P CB 0.325 32.018 31.700 -0.011 0.000 0.788 294 E N -1.734 118.459 120.200 -0.011 0.000 2.393 294 E HA 0.600 4.950 4.350 0.000 0.000 0.273 294 E C -0.971 175.623 176.600 -0.009 0.000 0.918 294 E CA -1.183 55.211 56.400 -0.010 0.000 0.773 294 E CB 1.912 31.605 29.700 -0.011 0.000 1.275 294 E HN -0.108 nan 8.360 nan 0.000 0.451 295 A N 0.568 123.384 122.820 -0.007 0.000 2.406 295 A HA 0.387 4.707 4.320 0.000 0.000 0.243 295 A C 1.198 178.781 177.584 -0.003 0.000 1.082 295 A CA 0.447 52.481 52.037 -0.003 0.000 0.786 295 A CB -0.024 18.976 19.000 -0.000 0.000 1.029 295 A HN 0.792 nan 8.150 nan 0.000 0.495 296 G N -0.619 108.181 108.800 -0.000 0.000 2.848 296 G HA2 0.275 4.235 3.960 0.000 0.000 0.208 296 G HA3 0.275 4.235 3.960 0.000 0.000 0.208 296 G C 0.458 175.358 174.900 -0.001 0.000 1.152 296 G CA 0.411 45.511 45.100 -0.001 0.000 0.789 296 G HN 0.724 nan 8.290 nan 0.000 0.531 297 Q N 0.085 119.889 119.800 0.006 0.000 2.421 297 Q HA 0.298 4.638 4.340 0.000 0.000 0.280 297 Q C -1.494 174.518 176.000 0.020 0.000 1.085 297 Q CA -1.039 54.771 55.803 0.012 0.000 0.807 297 Q CB 2.067 30.827 28.738 0.036 0.000 1.405 297 Q HN 0.025 nan 8.270 nan 0.000 0.419 298 D N 0.760 121.170 120.400 0.017 0.000 2.358 298 D HA 0.345 4.986 4.640 0.000 0.000 0.244 298 D C -0.129 176.226 176.300 0.091 0.000 1.163 298 D CA -0.045 53.973 54.000 0.030 0.000 0.945 298 D CB 0.832 41.637 40.800 0.009 0.000 1.152 298 D HN 0.624 nan 8.370 nan 0.000 0.451 299 A N 0.575 123.439 122.820 0.074 0.000 2.386 299 A HA -0.004 4.316 4.320 0.000 0.000 0.246 299 A C 0.648 178.372 177.584 0.234 0.000 1.089 299 A CA -0.090 51.995 52.037 0.080 0.000 0.790 299 A CB -0.083 18.927 19.000 0.015 0.000 1.042 299 A HN 0.541 nan 8.150 nan 0.000 0.497 300 Y N 0.886 121.203 120.300 0.029 0.000 2.256 300 Y HA -0.190 4.360 4.550 0.000 0.000 0.288 300 Y C 2.890 178.824 175.900 0.056 0.000 1.155 300 Y CA 1.535 59.658 58.100 0.039 0.000 1.203 300 Y CB -1.327 37.148 38.460 0.024 0.000 0.980 300 Y HN 0.741 nan 8.280 nan 0.000 0.530 301 S N -1.066 114.761 115.700 0.211 0.000 2.500 301 S HA -0.091 4.379 4.470 0.000 0.000 0.239 301 S C 1.770 176.474 174.600 0.174 0.000 0.989 301 S CA 1.031 59.322 58.200 0.151 0.000 0.951 301 S CB -0.525 62.739 63.200 0.107 0.000 0.759 301 S HN 0.455 nan 8.310 nan 0.000 0.523 302 L N -0.324 121.022 121.223 0.205 0.000 2.588 302 L HA 0.361 4.701 4.340 0.000 0.000 0.194 302 L C 2.727 179.815 176.870 0.364 0.000 1.070 302 L CA 0.194 55.207 54.840 0.288 0.000 0.852 302 L CB -0.234 41.933 42.059 0.181 0.000 1.199 302 L HN 0.160 nan 8.230 nan 0.000 0.486 303 R N -0.003 120.631 120.500 0.224 0.000 2.105 303 R HA -0.149 4.191 4.340 0.000 0.000 0.239 303 R C 1.522 177.929 176.300 0.178 0.000 1.135 303 R CA 1.845 58.054 56.100 0.181 0.000 0.967 303 R CB -0.207 30.163 30.300 0.117 0.000 0.861 303 R HN 0.396 nan 8.270 nan 0.000 0.442 304 C N 0.275 119.638 119.300 0.105 0.000 2.688 304 C HA 0.437 4.897 4.460 0.000 0.000 0.297 304 C C 2.097 177.096 174.990 0.015 0.000 1.308 304 C CA -0.393 58.623 59.018 -0.003 0.000 1.726 304 C CB -0.437 27.206 27.740 -0.163 0.000 1.982 304 C HN 0.621 nan 8.230 nan 0.000 0.604 305 A N 2.665 125.536 122.820 0.085 0.000 1.908 305 A HA -0.099 4.221 4.320 0.000 0.000 0.218 305 A C 0.021 177.513 177.584 -0.153 0.000 1.181 305 A CA 1.785 53.803 52.037 -0.031 0.000 0.627 305 A CB -1.536 17.444 19.000 -0.034 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.445 306 P HA -0.150 nan 4.420 nan 0.000 0.215 306 P C 1.270 178.488 177.300 -0.135 0.000 1.153 306 P CA 1.490 64.490 63.100 -0.168 0.000 0.853 306 P CB -0.046 31.603 31.700 -0.085 0.000 0.788 307 Q N -1.004 118.739 119.800 -0.095 0.000 2.083 307 Q HA -0.072 4.268 4.340 0.000 0.000 0.198 307 Q C 2.122 178.033 176.000 -0.147 0.000 0.969 307 Q CA 1.212 56.956 55.803 -0.099 0.000 0.838 307 Q CB -1.294 27.395 28.738 -0.080 0.000 0.900 307 Q HN 0.093 nan 8.270 nan 0.000 0.436 308 V N 0.261 120.085 119.914 -0.150 0.000 2.283 308 V HA -0.190 3.930 4.120 0.000 0.000 0.243 308 V C 2.080 178.016 176.094 -0.263 0.000 1.039 308 V CA 1.391 63.591 62.300 -0.167 0.000 1.016 308 V CB -0.582 31.172 31.823 -0.115 0.000 0.650 308 V HN 0.295 nan 8.190 nan 0.000 0.449 309 L N 0.649 121.667 121.223 -0.341 0.000 2.042 309 L HA -0.108 4.232 4.340 0.000 0.000 0.210 309 L C 2.664 178.991 176.870 -0.903 0.000 1.076 309 L CA 1.824 56.270 54.840 -0.657 0.000 0.749 309 L CB -1.207 40.451 42.059 -0.668 0.000 0.893 309 L HN 0.486 nan 8.230 nan 0.000 0.432 310 G N -0.445 108.048 108.800 -0.511 0.000 2.442 310 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 310 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 310 G C 1.759 176.553 174.900 -0.177 0.000 1.141 310 G CA 0.830 45.766 45.100 -0.273 0.000 0.763 310 G HN 0.478 nan 8.290 nan 0.000 0.554 311 A N 0.764 123.458 122.820 -0.211 0.000 1.930 311 A HA 0.210 4.530 4.320 0.000 0.000 0.217 311 A C 2.681 180.198 177.584 -0.112 0.000 1.175 311 A CA 1.957 53.891 52.037 -0.171 0.000 0.627 311 A CB -0.908 17.982 19.000 -0.183 0.000 0.815 311 A HN 0.490 nan 8.150 nan 0.000 0.443 312 G N -1.035 107.663 108.800 -0.170 0.000 2.402 312 G HA2 -0.107 3.853 3.960 0.000 0.000 0.216 312 G HA3 -0.107 3.853 3.960 0.000 0.000 0.216 312 G C 1.277 176.254 174.900 0.129 0.000 1.162 312 G CA 1.019 46.068 45.100 -0.085 0.000 0.777 312 G HN 0.376 nan 8.290 nan 0.000 0.539 313 F N 1.696 121.649 119.950 0.006 0.000 2.186 313 F HA 0.040 4.567 4.527 0.000 0.000 0.299 313 F C 2.286 178.110 175.800 0.041 0.000 1.090 313 F CA 0.364 58.379 58.000 0.026 0.000 1.307 313 F CB -0.612 38.397 39.000 0.015 0.000 1.019 313 F HN 0.114 nan 8.300 nan 0.000 0.489 314 D N -0.591 119.934 120.400 0.208 0.000 2.178 314 D HA -0.096 4.544 4.640 0.000 0.000 0.202 314 D C 2.205 178.613 176.300 0.180 0.000 0.974 314 D CA 1.346 55.437 54.000 0.151 0.000 0.841 314 D CB -0.328 40.510 40.800 0.064 0.000 0.953 314 D HN 0.199 nan 8.370 nan 0.000 0.478 315 T N 1.155 115.807 114.554 0.163 0.000 2.777 315 T HA -0.111 4.239 4.350 0.000 0.000 0.266 315 T C 1.904 176.769 174.700 0.275 0.000 1.040 315 T CA 0.365 62.601 62.100 0.228 0.000 1.141 315 T CB -0.207 68.746 68.868 0.142 0.000 0.868 315 T HN 0.041 nan 8.240 nan 0.000 0.444 316 L N 1.559 122.903 121.223 0.202 0.000 2.083 316 L HA 0.093 4.433 4.340 0.000 0.000 0.209 316 L C 2.564 179.552 176.870 0.198 0.000 1.083 316 L CA 1.735 56.671 54.840 0.161 0.000 0.752 316 L CB -1.014 41.125 42.059 0.133 0.000 0.899 316 L HN 0.219 nan 8.230 nan 0.000 0.433 317 A N -1.247 121.692 122.820 0.198 0.000 1.902 317 A HA -0.273 4.047 4.320 0.000 0.000 0.217 317 A C 2.120 179.843 177.584 0.231 0.000 1.181 317 A CA 1.702 53.845 52.037 0.176 0.000 0.623 317 A CB -1.408 17.686 19.000 0.158 0.000 0.818 317 A HN 0.737 nan 8.150 nan 0.000 0.443 318 W N 0.375 121.733 121.300 0.098 0.000 2.379 318 W HA -0.185 4.475 4.660 0.000 0.000 0.307 318 W C 2.258 178.845 176.519 0.113 0.000 1.200 318 W CA 1.923 59.321 57.345 0.089 0.000 1.297 318 W CB -0.799 28.706 29.460 0.076 0.000 1.140 318 W HN 0.624 nan 8.180 nan 0.000 0.507 319 H N 0.149 119.157 119.070 -0.103 0.000 2.319 319 H HA -0.184 4.372 4.556 0.000 0.000 0.297 319 H C 1.386 176.599 175.328 -0.192 0.000 1.097 319 H CA 2.462 58.346 56.048 -0.272 0.000 1.285 319 H CB -0.537 29.177 29.762 -0.080 0.000 1.368 319 H HN 0.064 nan 8.280 nan 0.000 0.495 320 D N 0.156 120.597 120.400 0.070 0.000 2.178 320 D HA -0.069 4.571 4.640 0.000 0.000 0.202 320 D C 2.598 178.864 176.300 -0.057 0.000 0.974 320 D CA 0.554 54.566 54.000 0.019 0.000 0.841 320 D CB -0.209 40.648 40.800 0.095 0.000 0.953 320 D HN 0.389 nan 8.370 nan 0.000 0.478 321 R N 0.240 120.715 120.500 -0.042 0.000 2.066 321 R HA -0.050 4.290 4.340 0.000 0.000 0.232 321 R C 2.311 178.552 176.300 -0.099 0.000 1.131 321 R CA 0.735 56.821 56.100 -0.025 0.000 0.955 321 R CB -0.411 29.922 30.300 0.056 0.000 0.851 321 R HN 0.098 nan 8.270 nan 0.000 0.432 322 V N 1.405 121.180 119.914 -0.232 0.000 2.358 322 V HA -0.217 3.903 4.120 0.000 0.000 0.246 322 V C 2.212 178.159 176.094 -0.244 0.000 1.047 322 V CA 1.372 63.516 62.300 -0.261 0.000 1.035 322 V CB -0.428 31.125 31.823 -0.450 0.000 0.658 322 V HN 0.232 nan 8.190 nan 0.000 0.452 323 L N 0.017 121.054 121.223 -0.310 0.000 2.083 323 L HA -0.133 4.207 4.340 0.000 0.000 0.209 323 L C 2.417 179.197 176.870 -0.149 0.000 1.083 323 L CA 2.306 56.988 54.840 -0.263 0.000 0.752 323 L CB -0.955 40.895 42.059 -0.349 0.000 0.899 323 L HN 0.331 nan 8.230 nan 0.000 0.433 324 T N -0.220 114.272 114.554 -0.103 0.000 2.788 324 T HA -0.135 4.215 4.350 0.000 0.000 0.268 324 T C 1.960 176.638 174.700 -0.036 0.000 1.044 324 T CA 1.923 63.996 62.100 -0.046 0.000 1.139 324 T CB -0.265 68.618 68.868 0.025 0.000 0.867 324 T HN 0.315 nan 8.240 nan 0.000 0.454 325 I N 0.689 121.227 120.570 -0.053 0.000 2.202 325 I HA -0.139 4.031 4.170 0.000 0.000 0.242 325 I C 2.712 178.774 176.117 -0.091 0.000 1.091 325 I CA 1.251 62.517 61.300 -0.058 0.000 1.368 325 I CB -0.284 37.661 38.000 -0.092 0.000 1.058 325 I HN 0.196 nan 8.210 nan 0.000 0.410 326 E N 1.255 121.380 120.200 -0.125 0.000 2.051 326 E HA -0.261 4.089 4.350 0.000 0.000 0.192 326 E C 2.033 178.579 176.600 -0.090 0.000 0.991 326 E CA 1.312 57.640 56.400 -0.120 0.000 0.799 326 E CB -0.278 29.346 29.700 -0.126 0.000 0.748 326 E HN 0.302 nan 8.360 nan 0.000 0.449 327 L N 0.996 122.164 121.223 -0.092 0.000 2.042 327 L HA -0.110 4.230 4.340 0.000 0.000 0.210 327 L C 1.257 178.074 176.870 -0.088 0.000 1.076 327 L CA 1.842 56.630 54.840 -0.088 0.000 0.749 327 L CB -0.450 41.549 42.059 -0.100 0.000 0.893 327 L HN 0.154 nan 8.230 nan 0.000 0.432 328 N N -0.085 118.562 118.700 -0.088 0.000 2.322 328 N HA 0.175 4.915 4.740 0.000 0.000 0.194 328 N C 0.334 175.824 175.510 -0.034 0.000 1.126 328 N CA 0.625 53.635 53.050 -0.067 0.000 0.845 328 N CB 0.180 38.642 38.487 -0.041 0.000 0.976 328 N HN 0.426 nan 8.380 nan 0.000 0.475 329 A N 0.244 123.035 122.820 -0.047 0.000 2.248 329 A HA 0.572 4.892 4.320 0.000 0.000 0.316 329 A C 0.014 177.574 177.584 -0.039 0.000 1.101 329 A CA -0.393 51.616 52.037 -0.047 0.000 0.875 329 A CB 1.020 19.977 19.000 -0.072 0.000 1.207 329 A HN -0.038 nan 8.150 nan 0.000 0.504 330 V N 1.255 121.146 119.914 -0.039 0.000 2.311 330 V HA 0.298 4.418 4.120 0.000 0.000 0.275 330 V C 0.891 176.963 176.094 -0.037 0.000 1.022 330 V CA 0.399 62.681 62.300 -0.029 0.000 0.830 330 V CB 0.639 32.447 31.823 -0.026 0.000 1.012 330 V HN 1.039 nan 8.190 nan 0.000 0.452 331 T N -0.717 113.825 114.554 -0.020 0.000 3.145 331 T HA 0.195 4.546 4.350 0.000 0.000 0.255 331 T C 0.179 174.902 174.700 0.038 0.000 1.039 331 T CA -0.517 61.577 62.100 -0.009 0.000 0.928 331 T CB -0.321 68.552 68.868 0.007 0.000 1.029 331 T HN 0.533 nan 8.240 nan 0.000 0.554 332 D N 2.535 122.948 120.400 0.022 0.000 2.357 332 D HA 0.494 5.134 4.640 0.000 0.000 0.242 332 D C -0.082 176.239 176.300 0.035 0.000 1.153 332 D CA 0.102 54.128 54.000 0.044 0.000 0.918 332 D CB 0.482 41.290 40.800 0.012 0.000 1.181 332 D HN 0.337 nan 8.370 nan 0.000 0.435 333 N N 0.168 118.918 118.700 0.084 0.000 2.537 333 N HA 0.285 5.025 4.740 0.000 0.000 0.281 333 N C -2.925 172.608 175.510 0.039 0.000 1.097 333 N CA -1.345 51.730 53.050 0.042 0.000 0.964 333 N CB 1.838 40.484 38.487 0.265 0.000 1.588 333 N HN 0.022 nan 8.380 nan 0.000 0.511 334 P HA 0.314 nan 4.420 nan 0.000 0.279 334 P C -0.888 176.090 177.300 -0.537 0.000 1.282 334 P CA -0.438 62.386 63.100 -0.461 0.000 0.788 334 P CB 0.920 32.151 31.700 -0.782 0.000 1.139 335 V N -3.760 115.755 119.914 -0.665 0.000 2.962 335 V HA 0.629 4.749 4.120 0.000 0.000 0.313 335 V C -1.044 174.587 176.094 -0.772 0.000 1.099 335 V CA -0.944 60.997 62.300 -0.598 0.000 0.971 335 V CB 1.662 33.330 31.823 -0.258 0.000 1.028 335 V HN 0.224 nan 8.190 nan 0.000 0.430 336 F N 2.052 121.986 119.950 -0.028 0.000 2.359 336 F HA 0.611 5.138 4.527 0.000 0.000 0.369 336 F C -2.397 173.396 175.800 -0.011 0.000 1.084 336 F CA -2.553 55.438 58.000 -0.015 0.000 1.096 336 F CB 1.282 40.279 39.000 -0.005 0.000 1.335 336 F HN 0.291 nan 8.300 nan 0.000 0.457 337 P HA -0.022 nan 4.420 nan 0.000 0.258 337 P C -1.978 175.365 177.300 0.070 0.000 1.172 337 P CA -0.571 62.562 63.100 0.054 0.000 0.762 337 P CB 0.411 32.131 31.700 0.033 0.000 0.764 338 P HA -0.180 nan 4.420 nan 0.000 0.219 338 P C 0.816 178.136 177.300 0.033 0.000 1.146 338 P CA 1.331 64.458 63.100 0.044 0.000 0.808 338 P CB -0.083 31.636 31.700 0.031 0.000 0.779 339 D N -1.776 118.641 120.400 0.028 0.000 2.347 339 D HA 0.033 4.673 4.640 0.000 0.000 0.215 339 D C 1.452 177.768 176.300 0.027 0.000 0.976 339 D CA 0.866 54.879 54.000 0.022 0.000 0.884 339 D CB -1.189 39.621 40.800 0.016 0.000 0.915 339 D HN 0.166 nan 8.370 nan 0.000 0.526 340 G N 0.204 109.027 108.800 0.038 0.000 2.153 340 G HA2 -0.377 3.583 3.960 0.000 0.000 0.252 340 G HA3 -0.377 3.583 3.960 0.000 0.000 0.252 340 G C 1.225 176.148 174.900 0.038 0.000 0.994 340 G CA 1.131 46.256 45.100 0.042 0.000 0.698 340 G HN 0.638 nan 8.290 nan 0.000 0.521 341 S N -1.421 114.298 115.700 0.032 0.000 2.370 341 S HA 0.175 4.645 4.470 0.000 0.000 0.226 341 S C 1.237 175.856 174.600 0.033 0.000 1.033 341 S CA 1.957 60.172 58.200 0.026 0.000 1.011 341 S CB -0.426 62.785 63.200 0.019 0.000 0.852 341 S HN 2.029 nan 8.310 nan 0.000 0.457 342 V N -3.384 116.555 119.914 0.042 0.000 3.078 342 V HA 0.570 4.690 4.120 0.000 0.000 0.311 342 V C -2.492 173.649 176.094 0.079 0.000 1.138 342 V CA -2.187 60.144 62.300 0.052 0.000 1.007 342 V CB 1.225 33.074 31.823 0.042 0.000 1.045 342 V HN -0.114 nan 8.190 nan 0.000 0.432 343 P HA 0.207 nan 4.420 nan 0.000 0.217 343 P C 0.278 177.711 177.300 0.222 0.000 1.150 343 P CA 2.150 65.340 63.100 0.150 0.000 0.832 343 P CB 0.172 31.957 31.700 0.141 0.000 0.787 344 A N -2.038 120.859 122.820 0.129 0.000 2.597 344 A HA 0.627 4.947 4.320 0.000 0.000 0.292 344 A C -1.897 175.653 177.584 -0.056 0.000 1.057 344 A CA -0.539 51.488 52.037 -0.016 0.000 0.674 344 A CB 0.408 19.376 19.000 -0.054 0.000 1.278 344 A HN -0.052 nan 8.150 nan 0.000 0.416 345 L N 1.151 122.251 121.223 -0.205 0.000 2.362 345 L HA 0.608 4.948 4.340 0.000 0.000 0.271 345 L C -1.051 175.658 176.870 -0.268 0.000 1.002 345 L CA -0.709 54.059 54.840 -0.122 0.000 0.818 345 L CB 2.228 44.223 42.059 -0.106 0.000 1.298 345 L HN 0.859 nan 8.230 nan 0.000 0.420 346 H N 1.098 120.104 119.070 -0.108 0.000 2.505 346 H HA 0.749 5.305 4.556 0.000 0.000 0.338 346 H C 0.149 175.417 175.328 -0.099 0.000 1.057 346 H CA -0.158 55.828 56.048 -0.105 0.000 1.202 346 H CB 1.971 31.670 29.762 -0.105 0.000 1.466 346 H HN 0.739 nan 8.280 nan 0.000 0.499 347 G N 0.641 109.421 108.800 -0.034 0.000 2.793 347 G HA2 0.443 4.403 3.960 0.000 0.000 0.248 347 G HA3 0.443 4.403 3.960 0.000 0.000 0.248 347 G C -0.262 174.506 174.900 -0.221 0.000 1.198 347 G CA -0.289 44.752 45.100 -0.099 0.000 0.865 347 G HN 0.666 nan 8.290 nan 0.000 0.534 348 G N -0.008 108.543 108.800 -0.415 0.000 4.543 348 G HA2 0.284 4.244 3.960 0.000 0.000 0.286 348 G HA3 0.284 4.244 3.960 0.000 0.000 0.286 348 G C 0.278 174.579 174.900 -0.998 0.000 1.112 348 G CA -0.120 44.386 45.100 -0.991 0.000 0.870 348 G HN 0.266 nan 8.290 nan 0.000 0.540 349 N N 0.895 119.222 118.700 -0.620 0.000 2.609 349 N HA -0.045 4.695 4.740 0.000 0.000 0.190 349 N C 1.489 176.839 175.510 -0.267 0.000 1.157 349 N CA 0.355 53.196 53.050 -0.349 0.000 0.918 349 N CB -0.155 38.219 38.487 -0.189 0.000 0.978 349 N HN 0.628 nan 8.380 nan 0.000 0.448 350 F N -1.188 118.744 119.950 -0.031 0.000 2.789 350 F HA 0.330 4.857 4.527 0.000 0.000 0.300 350 F C 0.813 176.610 175.800 -0.006 0.000 1.132 350 F CA -0.797 57.191 58.000 -0.020 0.000 1.404 350 F CB -0.717 38.271 39.000 -0.021 0.000 1.114 350 F HN -0.168 nan 8.300 nan 0.000 0.584 351 M N 2.701 122.261 119.600 -0.067 0.000 2.350 351 M HA 0.361 4.841 4.480 0.000 0.000 0.338 351 M C 0.974 177.316 176.300 0.070 0.000 1.559 351 M CA -0.488 54.859 55.300 0.079 0.000 1.217 351 M CB 0.262 32.828 32.600 -0.055 0.000 1.808 351 M HN 0.233 nan 8.290 nan 0.000 0.458 352 G N 3.462 112.324 108.800 0.103 0.000 3.452 352 G HA2 0.029 3.990 3.960 0.000 0.000 0.258 352 G HA3 0.029 3.990 3.960 0.000 0.000 0.258 352 G C 0.690 175.628 174.900 0.063 0.000 1.305 352 G CA -0.187 44.959 45.100 0.077 0.000 1.514 352 G HN 0.815 nan 8.290 nan 0.000 0.593 353 Q N -0.037 119.798 119.800 0.057 0.000 2.167 353 Q HA -0.093 4.248 4.340 0.000 0.000 0.202 353 Q C 1.923 177.897 176.000 -0.044 0.000 0.970 353 Q CA 1.432 57.237 55.803 0.003 0.000 0.855 353 Q CB -0.118 28.600 28.738 -0.033 0.000 0.911 353 Q HN 0.718 nan 8.270 nan 0.000 0.438 354 H N -1.763 117.285 119.070 -0.035 0.000 2.326 354 H HA -0.059 4.497 4.556 0.000 0.000 0.301 354 H C 1.796 177.047 175.328 -0.128 0.000 1.081 354 H CA 1.753 57.755 56.048 -0.077 0.000 1.334 354 H CB 0.006 29.710 29.762 -0.098 0.000 1.385 354 H HN 0.068 nan 8.280 nan 0.000 0.504 355 V N 0.492 120.416 119.914 0.015 0.000 2.515 355 V HA -0.213 3.907 4.120 0.000 0.000 0.250 355 V C 2.488 178.573 176.094 -0.016 0.000 1.058 355 V CA 1.379 63.650 62.300 -0.049 0.000 1.064 355 V CB -0.903 30.902 31.823 -0.030 0.000 0.675 355 V HN 0.565 nan 8.190 nan 0.000 0.461 356 A N 0.032 122.856 122.820 0.007 0.000 1.858 356 A HA -0.164 4.156 4.320 0.000 0.000 0.216 356 A C 2.204 179.804 177.584 0.026 0.000 1.190 356 A CA 1.828 53.879 52.037 0.023 0.000 0.617 356 A CB -0.524 18.492 19.000 0.026 0.000 0.827 356 A HN 0.486 nan 8.150 nan 0.000 0.443 357 L N -0.166 121.062 121.223 0.009 0.000 2.093 357 L HA -0.140 4.200 4.340 0.000 0.000 0.208 357 L C 2.978 179.898 176.870 0.083 0.000 1.085 357 L CA 1.771 56.647 54.840 0.059 0.000 0.755 357 L CB -0.858 41.249 42.059 0.079 0.000 0.904 357 L HN 0.669 nan 8.230 nan 0.000 0.435 358 T N -4.690 109.815 114.554 -0.082 0.000 2.904 358 T HA -0.083 4.267 4.350 0.000 0.000 0.267 358 T C 2.026 176.806 174.700 0.133 0.000 1.059 358 T CA 1.196 63.197 62.100 -0.164 0.000 1.137 358 T CB -0.201 68.355 68.868 -0.520 0.000 0.879 358 T HN 0.112 nan 8.240 nan 0.000 0.467 359 S N 1.658 117.432 115.700 0.123 0.000 2.368 359 S HA -0.095 4.375 4.470 0.000 0.000 0.224 359 S C 1.853 176.513 174.600 0.101 0.000 1.029 359 S CA 1.214 59.504 58.200 0.150 0.000 0.988 359 S CB -0.537 62.730 63.200 0.111 0.000 0.838 359 S HN 0.514 nan 8.310 nan 0.000 0.462 360 D N 1.615 122.070 120.400 0.091 0.000 2.117 360 D HA 0.004 4.644 4.640 0.000 0.000 0.197 360 D C 2.106 178.460 176.300 0.088 0.000 0.987 360 D CA 1.183 55.230 54.000 0.078 0.000 0.829 360 D CB -0.406 40.436 40.800 0.069 0.000 0.961 360 D HN 0.374 nan 8.370 nan 0.000 0.460 361 A N 0.640 123.548 122.820 0.147 0.000 1.898 361 A HA -0.123 4.197 4.320 0.000 0.000 0.216 361 A C 2.143 179.796 177.584 0.115 0.000 1.181 361 A CA 0.900 53.042 52.037 0.175 0.000 0.620 361 A CB -0.675 18.554 19.000 0.381 0.000 0.819 361 A HN 0.241 nan 8.150 nan 0.000 0.442 362 L N -0.192 121.092 121.223 0.101 0.000 2.083 362 L HA -0.035 4.305 4.340 0.000 0.000 0.209 362 L C 2.641 179.495 176.870 -0.027 0.000 1.083 362 L CA 2.041 56.884 54.840 0.005 0.000 0.752 362 L CB -0.775 41.203 42.059 -0.136 0.000 0.899 362 L HN 0.344 nan 8.230 nan 0.000 0.433 363 A N -1.576 121.243 122.820 -0.001 0.000 1.908 363 A HA -0.216 4.104 4.320 0.000 0.000 0.218 363 A C 2.268 179.826 177.584 -0.042 0.000 1.181 363 A CA 2.342 54.371 52.037 -0.013 0.000 0.627 363 A CB -1.192 17.818 19.000 0.016 0.000 0.818 363 A HN 0.505 nan 8.150 nan 0.000 0.445 364 T N 0.208 114.747 114.554 -0.025 0.000 2.746 364 T HA 0.001 4.351 4.350 0.000 0.000 0.267 364 T C 2.238 176.882 174.700 -0.093 0.000 1.039 364 T CA 1.553 63.626 62.100 -0.045 0.000 1.142 364 T CB -0.452 68.404 68.868 -0.019 0.000 0.866 364 T HN 0.604 nan 8.240 nan 0.000 0.444 365 A N 0.965 123.730 122.820 -0.090 0.000 1.902 365 A HA -0.054 4.266 4.320 0.000 0.000 0.217 365 A C 2.577 179.991 177.584 -0.283 0.000 1.181 365 A CA 1.328 53.279 52.037 -0.143 0.000 0.623 365 A CB -1.029 17.921 19.000 -0.083 0.000 0.818 365 A HN 0.353 nan 8.150 nan 0.000 0.443 366 V N -0.251 119.483 119.914 -0.301 0.000 2.407 366 V HA -0.220 3.900 4.120 0.000 0.000 0.248 366 V C 2.728 178.498 176.094 -0.540 0.000 1.055 366 V CA 2.446 64.419 62.300 -0.545 0.000 1.049 366 V CB -1.154 30.513 31.823 -0.260 0.000 0.662 366 V HN 0.618 nan 8.190 nan 0.000 0.455 367 T N -0.268 114.116 114.554 -0.284 0.000 2.821 367 T HA -0.139 4.211 4.350 0.000 0.000 0.267 367 T C 1.939 176.504 174.700 -0.224 0.000 1.046 367 T CA 1.484 63.459 62.100 -0.208 0.000 1.139 367 T CB -0.139 68.664 68.868 -0.109 0.000 0.871 367 T HN 0.283 nan 8.240 nan 0.000 0.454 368 V N 1.165 120.943 119.914 -0.226 0.000 2.307 368 V HA -0.090 4.031 4.120 0.000 0.000 0.245 368 V C 2.372 178.323 176.094 -0.238 0.000 1.045 368 V CA 1.314 63.501 62.300 -0.188 0.000 1.024 368 V CB -0.525 31.203 31.823 -0.159 0.000 0.651 368 V HN 0.320 nan 8.190 nan 0.000 0.449 369 L N 0.275 121.260 121.223 -0.396 0.000 2.141 369 L HA -0.018 4.322 4.340 0.000 0.000 0.209 369 L C 2.540 179.193 176.870 -0.361 0.000 1.094 369 L CA 2.002 56.598 54.840 -0.407 0.000 0.763 369 L CB -1.127 40.565 42.059 -0.612 0.000 0.908 369 L HN 0.279 nan 8.230 nan 0.000 0.437 370 A N -0.537 121.937 122.820 -0.577 0.000 1.969 370 A HA -0.061 4.259 4.320 0.000 0.000 0.218 370 A C 2.424 179.983 177.584 -0.042 0.000 1.169 370 A CA 1.489 53.387 52.037 -0.231 0.000 0.635 370 A CB -1.219 17.663 19.000 -0.197 0.000 0.810 370 A HN 0.419 nan 8.150 nan 0.000 0.445 371 G N -0.056 108.691 108.800 -0.088 0.000 2.418 371 G HA2 -0.137 3.823 3.960 0.000 0.000 0.217 371 G HA3 -0.137 3.823 3.960 0.000 0.000 0.217 371 G C 1.481 176.382 174.900 0.002 0.000 1.158 371 G CA 1.182 46.263 45.100 -0.032 0.000 0.771 371 G HN 0.511 nan 8.290 nan 0.000 0.545 372 L N 1.432 122.651 121.223 -0.007 0.000 2.017 372 L HA 0.124 4.464 4.340 0.000 0.000 0.208 372 L C 3.024 179.937 176.870 0.071 0.000 1.073 372 L CA 2.350 57.208 54.840 0.030 0.000 0.745 372 L CB -0.774 41.294 42.059 0.015 0.000 0.894 372 L HN 0.218 nan 8.230 nan 0.000 0.432 373 A N -0.922 121.966 122.820 0.112 0.000 1.933 373 A HA -0.226 4.094 4.320 0.000 0.000 0.218 373 A C 2.327 179.970 177.584 0.099 0.000 1.175 373 A CA 1.699 53.821 52.037 0.142 0.000 0.628 373 A CB -0.767 18.378 19.000 0.242 0.000 0.814 373 A HN 0.601 nan 8.150 nan 0.000 0.444 374 E N -0.017 120.234 120.200 0.085 0.000 2.110 374 E HA -0.191 4.159 4.350 0.000 0.000 0.193 374 E C 2.030 178.664 176.600 0.057 0.000 0.988 374 E CA 0.837 57.277 56.400 0.067 0.000 0.804 374 E CB -0.200 29.534 29.700 0.055 0.000 0.745 374 E HN 0.381 nan 8.360 nan 0.000 0.458 375 R N 0.320 120.851 120.500 0.052 0.000 2.148 375 R HA -0.029 4.311 4.340 0.000 0.000 0.223 375 R C 2.352 178.682 176.300 0.050 0.000 1.088 375 R CA 0.755 56.882 56.100 0.046 0.000 0.985 375 R CB -0.356 29.969 30.300 0.042 0.000 0.880 375 R HN 0.393 nan 8.270 nan 0.000 0.451 376 Q N 0.057 119.892 119.800 0.059 0.000 2.119 376 Q HA -0.031 4.309 4.340 0.000 0.000 0.201 376 Q C 2.163 178.188 176.000 0.041 0.000 0.972 376 Q CA 1.099 56.937 55.803 0.058 0.000 0.847 376 Q CB -0.070 28.712 28.738 0.073 0.000 0.903 376 Q HN 0.303 nan 8.270 nan 0.000 0.433 377 I N 0.582 121.177 120.570 0.042 0.000 2.252 377 I HA -0.254 3.916 4.170 0.000 0.000 0.245 377 I C 2.414 178.559 176.117 0.047 0.000 1.102 377 I CA 0.920 62.239 61.300 0.032 0.000 1.385 377 I CB -0.415 37.609 38.000 0.040 0.000 1.064 377 I HN 0.146 nan 8.210 nan 0.000 0.414 378 A N 0.814 123.667 122.820 0.056 0.000 1.978 378 A HA -0.249 4.071 4.320 0.000 0.000 0.220 378 A C 2.439 180.042 177.584 0.033 0.000 1.170 378 A CA 1.928 54.002 52.037 0.062 0.000 0.636 378 A CB -0.621 18.412 19.000 0.056 0.000 0.810 378 A HN 0.411 nan 8.150 nan 0.000 0.448 379 R N -0.982 119.531 120.500 0.021 0.000 2.062 379 R HA -0.005 4.336 4.340 0.000 0.000 0.226 379 R C 2.020 178.311 176.300 -0.015 0.000 1.125 379 R CA 1.312 57.413 56.100 0.002 0.000 0.966 379 R CB -0.422 29.886 30.300 0.013 0.000 0.861 379 R HN 0.374 nan 8.270 nan 0.000 0.433 380 L N 1.299 122.517 121.223 -0.007 0.000 2.079 380 L HA -0.120 4.220 4.340 0.000 0.000 0.210 380 L C 1.982 178.826 176.870 -0.044 0.000 1.081 380 L CA 2.462 57.288 54.840 -0.023 0.000 0.752 380 L CB -0.481 41.564 42.059 -0.024 0.000 0.896 380 L HN 0.470 nan 8.230 nan 0.000 0.433 381 T N -4.332 110.201 114.554 -0.036 0.000 3.081 381 T HA 0.030 4.380 4.350 0.000 0.000 0.250 381 T C 0.729 175.238 174.700 -0.320 0.000 1.100 381 T CA -0.097 61.960 62.100 -0.072 0.000 1.038 381 T CB -0.436 68.515 68.868 0.138 0.000 0.962 381 T HN 0.250 nan 8.240 nan 0.000 0.516 382 D N 2.641 122.911 120.400 -0.217 0.000 2.347 382 D HA 0.073 4.714 4.640 0.000 0.000 0.235 382 D C 1.316 177.492 176.300 -0.206 0.000 1.149 382 D CA -0.331 53.514 54.000 -0.257 0.000 0.850 382 D CB 1.272 42.006 40.800 -0.111 0.000 1.061 382 D HN 0.609 nan 8.370 nan 0.000 0.487 383 E N 3.272 123.320 120.200 -0.253 0.000 2.267 383 E HA -0.207 4.143 4.350 0.000 0.000 0.197 383 E C 1.054 177.604 176.600 -0.084 0.000 0.998 383 E CA 0.805 57.120 56.400 -0.142 0.000 0.830 383 E CB 0.076 29.705 29.700 -0.118 0.000 0.751 383 E HN 0.374 nan 8.360 nan 0.000 0.491 384 R N 0.013 120.466 120.500 -0.079 0.000 2.240 384 R HA 0.174 4.514 4.340 0.000 0.000 0.203 384 R C 1.790 178.065 176.300 -0.042 0.000 1.011 384 R CA 0.575 56.647 56.100 -0.047 0.000 1.007 384 R CB 0.178 30.456 30.300 -0.036 0.000 0.911 384 R HN 0.267 nan 8.270 nan 0.000 0.468 385 L N 0.174 121.367 121.223 -0.051 0.000 2.781 385 L HA 0.120 4.460 4.340 0.000 0.000 0.245 385 L C 0.583 177.431 176.870 -0.036 0.000 1.118 385 L CA -0.095 54.722 54.840 -0.038 0.000 0.918 385 L CB 0.164 42.203 42.059 -0.034 0.000 1.246 385 L HN 0.130 nan 8.230 nan 0.000 0.526 386 N N 0.866 119.538 118.700 -0.047 0.000 2.362 386 N HA -0.034 4.706 4.740 0.000 0.000 0.211 386 N C 0.022 175.514 175.510 -0.030 0.000 1.170 386 N CA -0.304 52.723 53.050 -0.039 0.000 0.828 386 N CB -0.182 38.273 38.487 -0.053 0.000 1.034 386 N HN 0.068 nan 8.380 nan 0.000 0.475 387 R N -0.412 120.072 120.500 -0.027 0.000 3.188 387 R HA -0.171 4.170 4.340 0.000 0.000 0.247 387 R C 0.765 177.054 176.300 -0.019 0.000 0.918 387 R CA 0.505 56.593 56.100 -0.020 0.000 0.629 387 R CB -2.135 28.155 30.300 -0.016 0.000 1.087 387 R HN 0.631 nan 8.270 nan 0.000 0.462 388 G N -0.967 107.821 108.800 -0.021 0.000 2.176 388 G HA2 -0.302 3.658 3.960 0.000 0.000 0.232 388 G HA3 -0.302 3.658 3.960 0.000 0.000 0.232 388 G C 0.250 175.138 174.900 -0.020 0.000 0.986 388 G CA 0.084 45.174 45.100 -0.017 0.000 0.643 388 G HN 0.273 nan 8.290 nan 0.000 0.522 389 L N 1.323 122.530 121.223 -0.027 0.000 2.439 389 L HA 0.443 4.783 4.340 0.000 0.000 0.261 389 L C -1.614 175.236 176.870 -0.033 0.000 1.153 389 L CA -2.091 52.731 54.840 -0.031 0.000 0.808 389 L CB 0.693 42.734 42.059 -0.031 0.000 1.126 389 L HN -0.098 nan 8.230 nan 0.000 0.460 390 P HA 0.058 nan 4.420 nan 0.000 0.269 390 P C -2.486 174.833 177.300 0.032 0.000 1.209 390 P CA -0.943 62.144 63.100 -0.021 0.000 0.776 390 P CB -0.160 31.409 31.700 -0.218 0.000 0.876 391 P HA -0.014 nan 4.420 nan 0.000 0.267 391 P C -0.232 177.109 177.300 0.068 0.000 1.209 391 P CA 0.340 63.378 63.100 -0.103 0.000 0.763 391 P CB -0.142 31.540 31.700 -0.030 0.000 0.816 392 F N 1.566 121.614 119.950 0.163 0.000 3.069 392 F HA -0.243 4.284 4.527 0.000 0.000 0.285 392 F C 1.321 177.293 175.800 0.287 0.000 0.827 392 F CA 0.364 58.484 58.000 0.200 0.000 1.108 392 F CB -2.630 36.479 39.000 0.182 0.000 1.252 392 F HN 0.277 nan 8.300 nan 0.000 0.483 393 L N -1.718 119.665 121.223 0.267 0.000 3.839 393 L HA -0.315 4.025 4.340 0.000 0.000 0.416 393 L C 1.324 178.349 176.870 0.259 0.000 1.195 393 L CA 1.023 55.998 54.840 0.224 0.000 0.946 393 L CB -1.996 40.204 42.059 0.235 0.000 1.891 393 L HN 0.704 nan 8.230 nan 0.000 0.963 394 H N 0.440 119.636 119.070 0.211 0.000 2.671 394 H HA 0.658 5.214 4.556 0.000 0.000 0.372 394 H C 0.265 175.652 175.328 0.099 0.000 1.227 394 H CA -0.406 55.726 56.048 0.140 0.000 1.426 394 H CB 0.904 30.738 29.762 0.120 0.000 1.480 394 H HN 0.298 nan 8.280 nan 0.000 0.611 395 R N -0.164 120.363 120.500 0.044 0.000 2.888 395 R HA 0.478 4.818 4.340 0.000 0.000 0.266 395 R C -0.377 176.031 176.300 0.180 0.000 1.020 395 R CA -0.240 55.859 56.100 -0.003 0.000 0.963 395 R CB 2.111 32.422 30.300 0.019 0.000 1.197 395 R HN 1.110 nan 8.270 nan 0.000 0.481 396 G N 1.406 110.282 108.800 0.127 0.000 2.796 396 G HA2 -0.180 3.780 3.960 0.000 0.000 0.571 396 G HA3 -0.180 3.780 3.960 0.000 0.000 0.571 396 G C -2.745 172.284 174.900 0.214 0.000 1.370 396 G CA -1.252 43.931 45.100 0.137 0.000 0.856 396 G HN 0.378 nan 8.290 nan 0.000 0.538 397 P HA 0.445 nan 4.420 nan 0.000 0.264 397 P C 0.458 177.769 177.300 0.018 0.000 1.193 397 P CA 0.818 63.976 63.100 0.096 0.000 0.763 397 P CB 0.689 32.414 31.700 0.042 0.000 0.810 398 A N 3.449 126.252 122.820 -0.028 0.000 2.445 398 A HA 0.472 4.792 4.320 0.000 0.000 0.242 398 A C 1.597 179.067 177.584 -0.191 0.000 1.075 398 A CA 0.835 52.644 52.037 -0.380 0.000 0.777 398 A CB -0.987 17.899 19.000 -0.190 0.000 1.013 398 A HN 0.810 nan 8.150 nan 0.000 0.493 399 G N 0.291 108.968 108.800 -0.205 0.000 3.206 399 G HA2 -0.299 3.661 3.960 0.000 0.000 0.217 399 G HA3 -0.299 3.661 3.960 0.000 0.000 0.217 399 G C 1.064 175.916 174.900 -0.082 0.000 1.350 399 G CA 0.508 45.550 45.100 -0.098 0.000 0.836 399 G HN 0.872 nan 8.290 nan 0.000 0.548 400 L N 1.089 122.272 121.223 -0.068 0.000 2.275 400 L HA 0.160 4.500 4.340 0.000 0.000 0.215 400 L C 0.793 177.635 176.870 -0.048 0.000 1.119 400 L CA 0.850 55.664 54.840 -0.042 0.000 0.790 400 L CB -0.274 41.773 42.059 -0.020 0.000 0.919 400 L HN 0.316 nan 8.230 nan 0.000 0.443 401 N N -1.454 117.199 118.700 -0.080 0.000 2.258 401 N HA 0.221 4.961 4.740 0.000 0.000 0.299 401 N C -0.168 175.275 175.510 -0.112 0.000 1.047 401 N CA -0.143 52.873 53.050 -0.056 0.000 0.814 401 N CB 2.161 40.672 38.487 0.040 0.000 1.413 401 N HN -0.233 nan 8.380 nan 0.000 0.478 402 S N 0.021 115.694 115.700 -0.046 0.000 2.603 402 S HA 0.261 4.731 4.470 0.000 0.000 0.232 402 S C 1.230 175.879 174.600 0.083 0.000 1.016 402 S CA 0.035 58.223 58.200 -0.020 0.000 0.976 402 S CB 0.577 63.715 63.200 -0.103 0.000 0.921 402 S HN 0.939 nan 8.310 nan 0.000 0.516 403 G N 2.526 111.372 108.800 0.076 0.000 2.629 403 G HA2 -0.347 3.613 3.960 0.000 0.000 0.313 403 G HA3 -0.347 3.613 3.960 0.000 0.000 0.313 403 G C 0.224 175.037 174.900 -0.144 0.000 1.217 403 G CA 0.817 45.931 45.100 0.024 0.000 0.994 403 G HN 0.466 nan 8.290 nan 0.000 0.549 404 F N 1.331 121.369 119.950 0.147 0.000 2.663 404 F HA 0.472 4.999 4.527 0.000 0.000 0.299 404 F C 2.388 178.219 175.800 0.052 0.000 1.143 404 F CA 0.876 58.936 58.000 0.100 0.000 1.387 404 F CB 0.142 39.216 39.000 0.123 0.000 1.019 404 F HN 0.319 nan 8.300 nan 0.000 0.523 405 M N 0.033 119.640 119.600 0.011 0.000 2.108 405 M HA -0.136 4.345 4.480 0.000 0.000 0.261 405 M C 2.410 178.579 176.300 -0.217 0.000 1.066 405 M CA 2.223 57.261 55.300 -0.436 0.000 1.107 405 M CB -0.455 31.637 32.600 -0.846 0.000 1.356 405 M HN 0.330 nan 8.290 nan 0.000 0.406 406 G N -0.863 107.866 108.800 -0.119 0.000 2.394 406 G HA2 -0.102 3.858 3.960 0.000 0.000 0.215 406 G HA3 -0.102 3.858 3.960 0.000 0.000 0.215 406 G C 1.475 176.376 174.900 0.001 0.000 1.165 406 G CA 0.734 45.793 45.100 -0.068 0.000 0.784 406 G HN 0.610 nan 8.290 nan 0.000 0.535 407 A N -0.029 122.828 122.820 0.061 0.000 1.972 407 A HA -0.089 4.231 4.320 0.000 0.000 0.219 407 A C 2.264 179.914 177.584 0.110 0.000 1.169 407 A CA 2.005 54.110 52.037 0.113 0.000 0.635 407 A CB -0.399 18.743 19.000 0.236 0.000 0.810 407 A HN 0.390 nan 8.150 nan 0.000 0.446 408 Q N 0.086 119.963 119.800 0.129 0.000 2.084 408 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 408 Q C 2.079 178.126 176.000 0.078 0.000 0.978 408 Q CA 2.038 57.916 55.803 0.126 0.000 0.844 408 Q CB -0.270 28.590 28.738 0.203 0.000 0.898 408 Q HN 0.432 nan 8.270 nan 0.000 0.426 409 V N 0.563 120.503 119.914 0.043 0.000 2.427 409 V HA -0.203 3.917 4.120 0.000 0.000 0.248 409 V C 2.361 178.472 176.094 0.027 0.000 1.051 409 V CA 2.005 64.320 62.300 0.025 0.000 1.048 409 V CB -0.833 30.985 31.823 -0.008 0.000 0.666 409 V HN 0.377 nan 8.190 nan 0.000 0.456 410 T N 0.462 115.033 114.554 0.029 0.000 2.720 410 T HA -0.179 4.171 4.350 0.000 0.000 0.268 410 T C 2.073 176.795 174.700 0.036 0.000 1.037 410 T CA 1.641 63.758 62.100 0.028 0.000 1.144 410 T CB -0.379 68.506 68.868 0.029 0.000 0.864 410 T HN 0.580 nan 8.240 nan 0.000 0.444 411 A N 1.198 124.045 122.820 0.046 0.000 1.902 411 A HA -0.134 4.186 4.320 0.000 0.000 0.217 411 A C 2.553 180.166 177.584 0.048 0.000 1.181 411 A CA 2.123 54.191 52.037 0.050 0.000 0.623 411 A CB -1.212 17.822 19.000 0.057 0.000 0.818 411 A HN 0.481 nan 8.150 nan 0.000 0.443 412 T N 0.298 114.879 114.554 0.045 0.000 2.746 412 T HA -0.008 4.342 4.350 0.000 0.000 0.267 412 T C 2.214 176.932 174.700 0.030 0.000 1.039 412 T CA 1.527 63.650 62.100 0.038 0.000 1.142 412 T CB -0.443 68.448 68.868 0.038 0.000 0.866 412 T HN 0.601 nan 8.240 nan 0.000 0.444 413 A N 1.279 124.116 122.820 0.027 0.000 1.902 413 A HA 0.014 4.334 4.320 0.000 0.000 0.217 413 A C 2.301 179.900 177.584 0.025 0.000 1.181 413 A CA 1.173 53.224 52.037 0.022 0.000 0.623 413 A CB -0.827 18.184 19.000 0.018 0.000 0.818 413 A HN 0.476 nan 8.150 nan 0.000 0.443 414 L N -1.176 120.066 121.223 0.031 0.000 2.046 414 L HA -0.158 4.182 4.340 0.000 0.000 0.208 414 L C 2.565 179.457 176.870 0.036 0.000 1.077 414 L CA 1.186 56.047 54.840 0.036 0.000 0.747 414 L CB -0.547 41.539 42.059 0.045 0.000 0.896 414 L HN 0.472 nan 8.230 nan 0.000 0.432 415 L N 0.256 121.501 121.223 0.036 0.000 2.056 415 L HA -0.114 4.226 4.340 0.000 0.000 0.207 415 L C 2.647 179.527 176.870 0.016 0.000 1.078 415 L CA 1.945 56.800 54.840 0.026 0.000 0.749 415 L CB -0.682 41.392 42.059 0.025 0.000 0.901 415 L HN 0.131 nan 8.230 nan 0.000 0.433 416 A N -0.766 122.064 122.820 0.017 0.000 1.908 416 A HA -0.291 4.029 4.320 0.000 0.000 0.218 416 A C 2.331 179.922 177.584 0.013 0.000 1.181 416 A CA 1.920 53.964 52.037 0.013 0.000 0.627 416 A CB -0.771 18.238 19.000 0.014 0.000 0.818 416 A HN 0.641 nan 8.150 nan 0.000 0.445 417 E N -0.642 119.568 120.200 0.016 0.000 2.077 417 E HA -0.193 4.157 4.350 0.000 0.000 0.193 417 E C 2.048 178.658 176.600 0.016 0.000 0.989 417 E CA 1.359 57.768 56.400 0.016 0.000 0.800 417 E CB -0.215 29.497 29.700 0.020 0.000 0.746 417 E HN 0.668 nan 8.360 nan 0.000 0.452 418 M N 0.027 119.638 119.600 0.017 0.000 2.108 418 M HA -0.192 4.288 4.480 0.000 0.000 0.261 418 M C 2.337 178.641 176.300 0.006 0.000 1.066 418 M CA 1.611 56.919 55.300 0.014 0.000 1.107 418 M CB -0.217 32.387 32.600 0.008 0.000 1.356 418 M HN 0.029 nan 8.290 nan 0.000 0.406 419 R N 0.031 120.532 120.500 0.002 0.000 2.193 419 R HA -0.043 4.297 4.340 0.000 0.000 0.229 419 R C 2.185 178.490 176.300 0.007 0.000 1.110 419 R CA 1.126 57.226 56.100 -0.000 0.000 0.988 419 R CB -0.446 29.853 30.300 -0.002 0.000 0.871 419 R HN 0.382 nan 8.270 nan 0.000 0.458 420 A N 0.518 123.344 122.820 0.010 0.000 2.121 420 A HA -0.028 4.293 4.320 0.000 0.000 0.218 420 A C 0.754 178.348 177.584 0.018 0.000 1.154 420 A CA 0.892 52.937 52.037 0.013 0.000 0.679 420 A CB 0.109 19.115 19.000 0.011 0.000 0.795 420 A HN 0.103 nan 8.150 nan 0.000 0.458 421 T N 0.086 114.651 114.554 0.020 0.000 2.771 421 T HA 0.555 4.905 4.350 0.000 0.000 0.281 421 T C 0.433 175.155 174.700 0.036 0.000 0.982 421 T CA 0.046 62.163 62.100 0.028 0.000 0.978 421 T CB 1.538 70.422 68.868 0.026 0.000 0.930 421 T HN 0.364 nan 8.240 nan 0.000 0.447 422 G N 2.959 111.794 108.800 0.057 0.000 2.795 422 G HA2 0.675 4.635 3.960 0.000 0.000 0.267 422 G HA3 0.675 4.635 3.960 0.000 0.000 0.267 422 G C -2.644 172.302 174.900 0.077 0.000 1.362 422 G CA -1.624 43.513 45.100 0.061 0.000 1.048 422 G HN 0.439 nan 8.290 nan 0.000 0.547 423 P HA 0.249 nan 4.420 nan 0.000 0.266 423 P C 0.348 177.709 177.300 0.101 0.000 1.195 423 P CA 0.383 63.517 63.100 0.056 0.000 0.768 423 P CB 1.310 33.019 31.700 0.015 0.000 0.838 424 A N 2.189 125.073 122.820 0.106 0.000 1.984 424 A HA -0.047 4.273 4.320 0.000 0.000 0.214 424 A C 2.070 179.724 177.584 0.117 0.000 1.173 424 A CA 1.049 53.188 52.037 0.170 0.000 0.673 424 A CB -0.993 18.076 19.000 0.115 0.000 0.830 424 A HN 0.477 nan 8.150 nan 0.000 0.453 425 S N 0.568 116.292 115.700 0.040 0.000 2.419 425 S HA -0.184 4.286 4.470 0.000 0.000 0.235 425 S C 1.666 176.233 174.600 -0.056 0.000 1.019 425 S CA 1.574 59.778 58.200 0.006 0.000 0.982 425 S CB -0.687 62.516 63.200 0.006 0.000 0.789 425 S HN 0.799 nan 8.310 nan 0.000 0.490 426 I N -1.401 119.062 120.570 -0.178 0.000 3.444 426 I HA 0.073 4.243 4.170 0.000 0.000 0.287 426 I C 0.674 176.575 176.117 -0.360 0.000 1.302 426 I CA 0.894 62.026 61.300 -0.279 0.000 1.368 426 I CB -0.330 37.459 38.000 -0.352 0.000 1.048 426 I HN 0.152 nan 8.210 nan 0.000 0.487 427 H N 1.204 120.284 119.070 0.018 0.000 2.524 427 H HA 0.313 4.869 4.556 0.000 0.000 0.299 427 H C 0.616 175.956 175.328 0.020 0.000 1.074 427 H CA -0.235 55.823 56.048 0.018 0.000 1.115 427 H CB 0.105 29.878 29.762 0.018 0.000 1.522 427 H HN 0.302 nan 8.280 nan 0.000 0.543 428 S N 1.235 116.980 115.700 0.076 0.000 2.549 428 S HA 0.196 4.666 4.470 0.000 0.000 0.286 428 S C 0.282 174.920 174.600 0.064 0.000 1.314 428 S CA -0.218 58.021 58.200 0.064 0.000 1.062 428 S CB -0.015 63.208 63.200 0.039 0.000 0.865 428 S HN 0.294 nan 8.310 nan 0.000 0.498 429 I N 3.382 123.988 120.570 0.060 0.000 2.533 429 I HA 0.225 4.395 4.170 0.000 0.000 0.290 429 I C 0.076 176.219 176.117 0.043 0.000 1.056 429 I CA -0.645 60.685 61.300 0.050 0.000 1.057 429 I CB 2.135 40.166 38.000 0.050 0.000 1.240 429 I HN 0.572 nan 8.210 nan 0.000 0.423 430 S N 3.923 119.646 115.700 0.037 0.000 2.525 430 S HA 0.275 4.745 4.470 0.000 0.000 0.285 430 S C -0.207 174.413 174.600 0.034 0.000 1.283 430 S CA 0.408 58.629 58.200 0.035 0.000 1.072 430 S CB 0.292 63.510 63.200 0.031 0.000 0.867 430 S HN 0.770 nan 8.310 nan 0.000 0.492 431 T N 3.084 117.660 114.554 0.037 0.000 2.696 431 T HA 0.418 4.768 4.350 0.000 0.000 0.291 431 T C -0.395 174.327 174.700 0.036 0.000 1.095 431 T CA -0.141 61.980 62.100 0.035 0.000 1.026 431 T CB 0.806 69.696 68.868 0.036 0.000 1.390 431 T HN 0.909 nan 8.240 nan 0.000 0.513 432 N N 0.603 119.324 118.700 0.035 0.000 2.727 432 N HA -0.218 4.522 4.740 0.000 0.000 0.251 432 N C 0.282 175.813 175.510 0.035 0.000 1.040 432 N CA 0.759 53.831 53.050 0.038 0.000 0.712 432 N CB -1.161 37.352 38.487 0.044 0.000 0.912 432 N HN 1.533 nan 8.380 nan 0.000 0.545 433 A N -0.594 122.243 122.820 0.029 0.000 2.783 433 A HA -0.000 4.320 4.320 0.000 0.000 0.292 433 A C 1.334 178.934 177.584 0.028 0.000 1.495 433 A CA 2.088 54.140 52.037 0.026 0.000 0.787 433 A CB -2.269 16.745 19.000 0.024 0.000 1.017 433 A HN 2.243 nan 8.150 nan 0.000 0.516 434 A N -2.420 120.417 122.820 0.029 0.000 3.396 434 A HA -0.360 3.960 4.320 0.000 0.000 0.267 434 A C 1.389 178.994 177.584 0.035 0.000 1.139 434 A CA 2.022 54.077 52.037 0.030 0.000 1.115 434 A CB -2.531 16.484 19.000 0.025 0.000 1.133 434 A HN 2.201 nan 8.150 nan 0.000 0.920 435 N N 0.004 118.728 118.700 0.039 0.000 2.142 435 N HA -0.092 4.648 4.740 0.000 0.000 0.186 435 N C 0.985 176.526 175.510 0.051 0.000 1.023 435 N CA 1.855 54.932 53.050 0.045 0.000 0.852 435 N CB -0.156 38.362 38.487 0.052 0.000 0.998 435 N HN 0.753 nan 8.380 nan 0.000 0.424 436 Q N 0.542 120.372 119.800 0.051 0.000 3.091 436 Q HA 0.065 4.405 4.340 0.000 0.000 0.301 436 Q C -0.418 175.614 176.000 0.053 0.000 1.337 436 Q CA -0.283 55.555 55.803 0.059 0.000 1.083 436 Q CB 0.561 29.331 28.738 0.052 0.000 1.477 436 Q HN 0.506 nan 8.270 nan 0.000 0.537 437 D N -0.498 119.931 120.400 0.049 0.000 2.348 437 D HA -0.079 4.561 4.640 0.000 0.000 0.216 437 D C 0.670 176.995 176.300 0.040 0.000 0.970 437 D CA 0.424 54.449 54.000 0.040 0.000 0.889 437 D CB 0.091 40.911 40.800 0.033 0.000 0.912 437 D HN 0.202 nan 8.370 nan 0.000 0.524 438 V N -1.741 118.202 119.914 0.049 0.000 2.760 438 V HA 0.766 4.886 4.120 0.000 0.000 0.309 438 V C -0.395 175.736 176.094 0.063 0.000 1.077 438 V CA -1.210 61.118 62.300 0.047 0.000 0.910 438 V CB 1.900 33.745 31.823 0.037 0.000 1.008 438 V HN 0.111 nan 8.190 nan 0.000 0.424 439 V N 0.834 120.784 119.914 0.060 0.000 3.007 439 V HA 0.767 4.887 4.120 0.000 0.000 0.311 439 V C 1.023 177.154 176.094 0.062 0.000 1.120 439 V CA 0.273 62.615 62.300 0.071 0.000 0.980 439 V CB 1.421 33.283 31.823 0.065 0.000 1.033 439 V HN 1.310 nan 8.190 nan 0.000 0.429 440 S N 2.609 118.351 115.700 0.070 0.000 2.406 440 S HA 0.086 4.556 4.470 0.000 0.000 0.224 440 S C 1.162 175.794 174.600 0.054 0.000 1.030 440 S CA 1.166 59.399 58.200 0.056 0.000 0.958 440 S CB -0.856 62.381 63.200 0.062 0.000 0.811 440 S HN 1.431 nan 8.310 nan 0.000 0.489 441 L N 0.347 121.606 121.223 0.060 0.000 4.040 441 L HA -0.194 4.146 4.340 0.000 0.000 0.410 441 L C 1.489 178.393 176.870 0.055 0.000 1.187 441 L CA 0.024 54.900 54.840 0.060 0.000 0.956 441 L CB -2.286 39.817 42.059 0.073 0.000 2.022 441 L HN 0.536 nan 8.230 nan 0.000 0.897 442 G N -0.373 108.458 108.800 0.051 0.000 2.432 442 G HA2 -0.196 3.764 3.960 0.000 0.000 0.219 442 G HA3 -0.196 3.764 3.960 0.000 0.000 0.219 442 G C 1.282 176.209 174.900 0.044 0.000 1.135 442 G CA 1.370 46.497 45.100 0.045 0.000 0.767 442 G HN 0.472 nan 8.290 nan 0.000 0.550 443 T N 1.358 115.937 114.554 0.042 0.000 2.777 443 T HA -0.036 4.314 4.350 0.000 0.000 0.266 443 T C 2.375 177.099 174.700 0.040 0.000 1.040 443 T CA 0.974 63.096 62.100 0.037 0.000 1.141 443 T CB -0.134 68.752 68.868 0.030 0.000 0.868 443 T HN 0.269 nan 8.240 nan 0.000 0.444 444 I N 1.635 122.231 120.570 0.043 0.000 2.226 444 I HA -0.156 4.014 4.170 0.000 0.000 0.245 444 I C 3.020 179.168 176.117 0.052 0.000 1.100 444 I CA 1.087 62.413 61.300 0.044 0.000 1.374 444 I CB -0.547 37.481 38.000 0.048 0.000 1.057 444 I HN 0.210 nan 8.210 nan 0.000 0.413 445 A N 0.814 123.669 122.820 0.058 0.000 1.908 445 A HA -0.211 4.109 4.320 0.000 0.000 0.218 445 A C 2.538 180.160 177.584 0.063 0.000 1.181 445 A CA 2.064 54.138 52.037 0.062 0.000 0.627 445 A CB -0.904 18.132 19.000 0.060 0.000 0.818 445 A HN 0.441 nan 8.150 nan 0.000 0.445 446 A N -0.493 122.365 122.820 0.063 0.000 1.930 446 A HA -0.131 4.189 4.320 0.000 0.000 0.217 446 A C 2.245 179.869 177.584 0.066 0.000 1.175 446 A CA 1.481 53.562 52.037 0.074 0.000 0.627 446 A CB -0.414 18.628 19.000 0.070 0.000 0.815 446 A HN 0.555 nan 8.150 nan 0.000 0.443 447 R N -0.549 119.984 120.500 0.054 0.000 2.092 447 R HA 0.041 4.381 4.340 0.000 0.000 0.231 447 R C 1.971 178.301 176.300 0.049 0.000 1.119 447 R CA 1.253 57.382 56.100 0.049 0.000 0.970 447 R CB -0.430 29.893 30.300 0.038 0.000 0.864 447 R HN 0.493 nan 8.270 nan 0.000 0.440 448 L N -0.242 121.011 121.223 0.049 0.000 2.141 448 L HA -0.212 4.128 4.340 0.000 0.000 0.209 448 L C 2.730 179.629 176.870 0.049 0.000 1.094 448 L CA 0.730 55.598 54.840 0.046 0.000 0.763 448 L CB -0.499 41.588 42.059 0.048 0.000 0.908 448 L HN 0.374 nan 8.230 nan 0.000 0.437 449 C N 0.344 119.676 119.300 0.053 0.000 2.446 449 C HA -0.152 4.308 4.460 0.000 0.000 0.277 449 C C 3.100 178.129 174.990 0.064 0.000 1.275 449 C CA 0.860 59.908 59.018 0.051 0.000 1.727 449 C CB -0.521 27.249 27.740 0.050 0.000 2.010 449 C HN 0.499 nan 8.230 nan 0.000 0.486 450 R N 1.289 121.831 120.500 0.069 0.000 2.091 450 R HA -0.087 4.253 4.340 0.000 0.000 0.238 450 R C 2.110 178.457 176.300 0.079 0.000 1.136 450 R CA 2.015 58.162 56.100 0.080 0.000 0.959 450 R CB -0.825 29.520 30.300 0.075 0.000 0.856 450 R HN 0.536 nan 8.270 nan 0.000 0.437 451 E N 0.763 121.002 120.200 0.065 0.000 2.085 451 E HA -0.187 4.163 4.350 0.000 0.000 0.194 451 E C 1.862 178.505 176.600 0.072 0.000 0.994 451 E CA 1.432 57.869 56.400 0.061 0.000 0.801 451 E CB -0.127 29.601 29.700 0.047 0.000 0.743 451 E HN 0.439 nan 8.360 nan 0.000 0.453 452 K N 0.292 120.734 120.400 0.071 0.000 2.097 452 K HA -0.045 4.275 4.320 0.000 0.000 0.206 452 K C 2.317 179.004 176.600 0.146 0.000 1.049 452 K CA 0.821 57.155 56.287 0.078 0.000 0.933 452 K CB -0.148 32.375 32.500 0.039 0.000 0.717 452 K HN 0.092 nan 8.250 nan 0.000 0.442 453 I N 1.472 122.141 120.570 0.166 0.000 2.286 453 I HA -0.284 3.886 4.170 0.000 0.000 0.248 453 I C 1.603 177.842 176.117 0.204 0.000 1.115 453 I CA 1.183 62.639 61.300 0.259 0.000 1.392 453 I CB -0.221 37.898 38.000 0.200 0.000 1.065 453 I HN 0.141 nan 8.210 nan 0.000 0.418 454 D N 0.511 120.989 120.400 0.129 0.000 2.144 454 D HA -0.127 4.513 4.640 0.000 0.000 0.199 454 D C 2.334 178.689 176.300 0.091 0.000 0.984 454 D CA 0.906 54.958 54.000 0.086 0.000 0.834 454 D CB -0.198 40.641 40.800 0.066 0.000 0.955 454 D HN 0.181 nan 8.370 nan 0.000 0.465 455 R N -0.085 120.485 120.500 0.116 0.000 2.075 455 R HA -0.113 4.228 4.340 0.000 0.000 0.232 455 R C 2.137 178.546 176.300 0.181 0.000 1.126 455 R CA 0.464 56.632 56.100 0.114 0.000 0.963 455 R CB -1.048 29.309 30.300 0.096 0.000 0.858 455 R HN 0.341 nan 8.270 nan 0.000 0.435 456 W N 1.953 123.253 121.300 0.001 0.000 2.338 456 W HA -0.106 4.554 4.660 0.000 0.000 0.304 456 W C 2.113 178.624 176.519 -0.014 0.000 1.212 456 W CA 1.428 58.774 57.345 0.002 0.000 1.264 456 W CB -0.635 28.833 29.460 0.013 0.000 1.142 456 W HN 0.143 nan 8.180 nan 0.000 0.512 457 A N 0.154 122.981 122.820 0.011 0.000 1.902 457 A HA -0.235 4.085 4.320 0.000 0.000 0.217 457 A C 1.868 179.370 177.584 -0.137 0.000 1.181 457 A CA 2.016 53.945 52.037 -0.180 0.000 0.623 457 A CB -0.787 18.131 19.000 -0.136 0.000 0.818 457 A HN 0.455 nan 8.150 nan 0.000 0.443 458 E N -0.372 119.804 120.200 -0.041 0.000 2.072 458 E HA -0.099 4.252 4.350 0.000 0.000 0.191 458 E C 1.844 178.430 176.600 -0.024 0.000 0.985 458 E CA 1.128 57.506 56.400 -0.037 0.000 0.801 458 E CB -0.248 29.453 29.700 0.002 0.000 0.750 458 E HN 0.699 nan 8.360 nan 0.000 0.452 459 I N 0.815 121.407 120.570 0.036 0.000 2.226 459 I HA -0.271 3.899 4.170 0.000 0.000 0.245 459 I C 2.208 178.338 176.117 0.021 0.000 1.100 459 I CA 0.969 62.307 61.300 0.064 0.000 1.374 459 I CB -0.145 37.947 38.000 0.152 0.000 1.057 459 I HN 0.117 nan 8.210 nan 0.000 0.413 460 L N 0.401 121.607 121.223 -0.027 0.000 2.083 460 L HA -0.185 4.155 4.340 0.000 0.000 0.209 460 L C 2.818 179.583 176.870 -0.176 0.000 1.083 460 L CA 1.184 55.964 54.840 -0.101 0.000 0.752 460 L CB -0.645 41.265 42.059 -0.249 0.000 0.899 460 L HN 0.240 nan 8.230 nan 0.000 0.433 461 A N 0.314 123.001 122.820 -0.222 0.000 1.902 461 A HA -0.178 4.142 4.320 0.000 0.000 0.217 461 A C 2.201 179.670 177.584 -0.192 0.000 1.181 461 A CA 1.479 53.352 52.037 -0.274 0.000 0.623 461 A CB -0.607 18.239 19.000 -0.258 0.000 0.818 461 A HN 0.352 nan 8.150 nan 0.000 0.443 462 I N -0.855 119.651 120.570 -0.107 0.000 2.226 462 I HA -0.222 3.948 4.170 0.000 0.000 0.245 462 I C 2.416 178.472 176.117 -0.101 0.000 1.100 462 I CA 1.169 62.433 61.300 -0.060 0.000 1.374 462 I CB -0.275 37.726 38.000 0.001 0.000 1.057 462 I HN 0.392 nan 8.210 nan 0.000 0.413 463 L N 1.240 122.418 121.223 -0.075 0.000 2.046 463 L HA -0.146 4.194 4.340 0.000 0.000 0.208 463 L C 2.535 179.351 176.870 -0.090 0.000 1.077 463 L CA 2.112 56.912 54.840 -0.066 0.000 0.747 463 L CB -0.817 41.242 42.059 0.000 0.000 0.896 463 L HN 0.185 nan 8.230 nan 0.000 0.432 464 A N -0.514 122.249 122.820 -0.094 0.000 1.877 464 A HA -0.160 4.160 4.320 0.000 0.000 0.216 464 A C 2.263 179.779 177.584 -0.113 0.000 1.186 464 A CA 1.980 53.975 52.037 -0.070 0.000 0.620 464 A CB -0.887 18.032 19.000 -0.135 0.000 0.822 464 A HN 0.501 nan 8.150 nan 0.000 0.443 465 L N -0.930 120.189 121.223 -0.173 0.000 2.093 465 L HA -0.230 4.110 4.340 0.000 0.000 0.208 465 L C 2.714 179.388 176.870 -0.327 0.000 1.085 465 L CA 1.134 55.890 54.840 -0.141 0.000 0.755 465 L CB -0.680 41.366 42.059 -0.021 0.000 0.904 465 L HN 0.487 nan 8.230 nan 0.000 0.435 466 C N -0.195 118.772 119.300 -0.555 0.000 2.429 466 C HA -0.133 4.327 4.460 0.000 0.000 0.277 466 C C 2.746 177.520 174.990 -0.361 0.000 1.262 466 C CA 0.476 59.011 59.018 -0.806 0.000 1.733 466 C CB -0.719 26.682 27.740 -0.565 0.000 2.010 466 C HN 0.429 nan 8.230 nan 0.000 0.483 467 L N 0.884 121.995 121.223 -0.187 0.000 2.093 467 L HA -0.127 4.213 4.340 0.000 0.000 0.208 467 L C 2.844 179.692 176.870 -0.036 0.000 1.085 467 L CA 1.416 56.211 54.840 -0.075 0.000 0.755 467 L CB -0.664 41.387 42.059 -0.014 0.000 0.904 467 L HN 0.339 nan 8.230 nan 0.000 0.435 468 A N -0.313 122.491 122.820 -0.027 0.000 1.902 468 A HA -0.292 4.028 4.320 0.000 0.000 0.217 468 A C 2.213 179.818 177.584 0.036 0.000 1.181 468 A CA 1.965 54.019 52.037 0.027 0.000 0.623 468 A CB -0.498 18.536 19.000 0.057 0.000 0.818 468 A HN 0.426 nan 8.150 nan 0.000 0.443 469 Q N -0.383 119.433 119.800 0.026 0.000 2.046 469 Q HA 0.007 4.347 4.340 0.000 0.000 0.200 469 Q C 2.073 178.095 176.000 0.037 0.000 0.975 469 Q CA 2.005 57.858 55.803 0.083 0.000 0.836 469 Q CB -0.496 28.366 28.738 0.207 0.000 0.896 469 Q HN 0.541 nan 8.270 nan 0.000 0.428 470 A N 0.445 123.256 122.820 -0.016 0.000 1.933 470 A HA -0.096 4.224 4.320 0.000 0.000 0.218 470 A C 2.298 179.883 177.584 0.002 0.000 1.175 470 A CA 1.785 53.814 52.037 -0.014 0.000 0.628 470 A CB -1.194 17.783 19.000 -0.038 0.000 0.814 470 A HN 0.552 nan 8.150 nan 0.000 0.444 471 A N -0.135 122.690 122.820 0.008 0.000 1.902 471 A HA -0.177 4.143 4.320 0.000 0.000 0.217 471 A C 1.915 179.511 177.584 0.020 0.000 1.181 471 A CA 1.669 53.716 52.037 0.017 0.000 0.623 471 A CB -0.496 18.520 19.000 0.025 0.000 0.818 471 A HN 0.651 nan 8.150 nan 0.000 0.443 472 E N -0.297 119.919 120.200 0.027 0.000 2.152 472 E HA -0.061 4.289 4.350 0.000 0.000 0.192 472 E C 1.903 178.515 176.600 0.019 0.000 0.983 472 E CA 0.825 57.241 56.400 0.028 0.000 0.818 472 E CB -0.226 29.498 29.700 0.040 0.000 0.758 472 E HN 0.610 nan 8.360 nan 0.000 0.467 473 L N 0.437 121.670 121.223 0.016 0.000 2.093 473 L HA -0.141 4.199 4.340 0.000 0.000 0.208 473 L C 2.631 179.501 176.870 -0.001 0.000 1.085 473 L CA 0.921 55.763 54.840 0.003 0.000 0.755 473 L CB -0.137 41.919 42.059 -0.004 0.000 0.904 473 L HN 0.009 nan 8.230 nan 0.000 0.435 474 R N -0.349 120.152 120.500 0.002 0.000 2.075 474 R HA -0.046 4.294 4.340 0.000 0.000 0.226 474 R C 1.769 178.072 176.300 0.004 0.000 1.114 474 R CA 1.596 57.696 56.100 0.001 0.000 0.972 474 R CB -0.349 29.951 30.300 0.001 0.000 0.869 474 R HN 0.356 nan 8.270 nan 0.000 0.437 475 C N -0.032 119.273 119.300 0.008 0.000 3.183 475 C HA 0.656 5.117 4.460 0.000 0.000 0.285 475 C C 0.618 175.615 174.990 0.011 0.000 1.313 475 C CA -0.316 58.708 59.018 0.010 0.000 1.711 475 C CB -0.676 27.071 27.740 0.012 0.000 2.135 475 C HN 0.730 nan 8.230 nan 0.000 0.651 476 G N 1.692 110.499 108.800 0.012 0.000 2.730 476 G HA2 -0.140 3.820 3.960 0.000 0.000 0.686 476 G HA3 -0.140 3.820 3.960 0.000 0.000 0.686 476 G C 0.692 175.603 174.900 0.018 0.000 1.343 476 G CA 0.065 45.172 45.100 0.013 0.000 0.826 476 G HN 0.769 nan 8.290 nan 0.000 0.582 477 S N -0.706 115.005 115.700 0.019 0.000 2.440 477 S HA 0.048 4.518 4.470 0.000 0.000 0.238 477 S C 2.368 176.981 174.600 0.022 0.000 1.010 477 S CA 1.900 60.114 58.200 0.023 0.000 0.972 477 S CB -0.173 63.041 63.200 0.022 0.000 0.774 477 S HN 2.166 nan 8.310 nan 0.000 0.501 478 G N 0.810 109.621 108.800 0.018 0.000 2.813 478 G HA2 0.353 4.313 3.960 0.000 0.000 0.209 478 G HA3 0.353 4.313 3.960 0.000 0.000 0.209 478 G C 0.538 175.448 174.900 0.018 0.000 1.150 478 G CA -0.093 45.017 45.100 0.017 0.000 0.785 478 G HN 0.602 nan 8.290 nan 0.000 0.535 479 L N 0.961 122.196 121.223 0.019 0.000 3.660 479 L HA -0.144 4.196 4.340 0.000 0.000 0.440 479 L C -0.899 175.980 176.870 0.016 0.000 1.262 479 L CA -0.121 54.730 54.840 0.019 0.000 0.837 479 L CB -1.700 40.373 42.059 0.023 0.000 1.689 479 L HN 0.205 nan 8.230 nan 0.000 0.890 480 D N 1.479 121.887 120.400 0.013 0.000 2.434 480 D HA 0.293 4.933 4.640 0.000 0.000 0.252 480 D C 1.370 177.675 176.300 0.010 0.000 1.185 480 D CA 1.379 55.386 54.000 0.011 0.000 0.886 480 D CB 1.277 42.082 40.800 0.009 0.000 1.148 480 D HN 0.551 nan 8.370 nan 0.000 0.483 481 G N 1.463 110.268 108.800 0.009 0.000 2.195 481 G HA2 -0.274 3.686 3.960 0.000 0.000 0.246 481 G HA3 -0.274 3.686 3.960 0.000 0.000 0.246 481 G C 0.435 175.340 174.900 0.009 0.000 0.984 481 G CA 0.044 45.148 45.100 0.007 0.000 0.633 481 G HN 0.515 nan 8.290 nan 0.000 0.525 482 V N 2.595 122.517 119.914 0.013 0.000 2.686 482 V HA 0.508 4.629 4.120 0.000 0.000 0.295 482 V C 1.485 177.589 176.094 0.017 0.000 1.055 482 V CA 0.140 62.450 62.300 0.017 0.000 1.050 482 V CB 1.401 33.237 31.823 0.021 0.000 0.984 482 V HN 1.061 nan 8.190 nan 0.000 0.482 483 S N 4.996 120.708 115.700 0.020 0.000 2.569 483 S HA 0.107 4.577 4.470 0.000 0.000 0.274 483 S C -1.718 172.891 174.600 0.015 0.000 1.353 483 S CA -0.569 57.642 58.200 0.018 0.000 1.023 483 S CB 0.399 63.615 63.200 0.026 0.000 0.876 483 S HN 0.581 nan 8.310 nan 0.000 0.540 484 P HA -0.052 nan 4.420 nan 0.000 0.215 484 P C 1.658 178.961 177.300 0.004 0.000 1.153 484 P CA 1.941 65.046 63.100 0.008 0.000 0.853 484 P CB -0.251 31.451 31.700 0.005 0.000 0.788 485 A N -0.245 122.576 122.820 0.000 0.000 1.902 485 A HA -0.083 4.237 4.320 0.000 0.000 0.217 485 A C 2.489 180.069 177.584 -0.006 0.000 1.181 485 A CA 2.097 54.127 52.037 -0.012 0.000 0.623 485 A CB -1.884 17.104 19.000 -0.019 0.000 0.818 485 A HN 0.272 nan 8.150 nan 0.000 0.443 486 G N -0.410 108.396 108.800 0.010 0.000 2.418 486 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 486 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 486 G C 1.684 176.600 174.900 0.027 0.000 1.158 486 G CA 1.097 46.210 45.100 0.022 0.000 0.771 486 G HN 0.569 nan 8.290 nan 0.000 0.545 487 K N 0.188 120.602 120.400 0.023 0.000 2.026 487 K HA -0.060 4.260 4.320 0.000 0.000 0.208 487 K C 2.445 179.063 176.600 0.029 0.000 1.048 487 K CA 1.311 57.613 56.287 0.026 0.000 0.929 487 K CB -0.146 32.366 32.500 0.021 0.000 0.713 487 K HN 0.243 nan 8.250 nan 0.000 0.439 488 K N 1.359 121.771 120.400 0.020 0.000 2.097 488 K HA -0.137 4.183 4.320 0.000 0.000 0.206 488 K C 2.153 178.774 176.600 0.035 0.000 1.049 488 K CA 0.964 57.264 56.287 0.021 0.000 0.933 488 K CB -0.071 32.432 32.500 0.005 0.000 0.717 488 K HN 0.103 nan 8.250 nan 0.000 0.442 489 L N 0.531 121.772 121.223 0.030 0.000 2.027 489 L HA -0.165 4.175 4.340 0.000 0.000 0.206 489 L C 2.056 178.992 176.870 0.110 0.000 1.074 489 L CA 1.088 55.965 54.840 0.061 0.000 0.745 489 L CB -0.145 41.933 42.059 0.031 0.000 0.898 489 L HN 0.007 nan 8.230 nan 0.000 0.433 490 V N -0.088 119.877 119.914 0.086 0.000 2.343 490 V HA -0.312 3.808 4.120 0.000 0.000 0.247 490 V C 2.468 178.615 176.094 0.088 0.000 1.051 490 V CA 2.015 64.369 62.300 0.090 0.000 1.036 490 V CB -0.661 31.202 31.823 0.067 0.000 0.654 490 V HN 0.543 nan 8.190 nan 0.000 0.451 491 Q N -0.099 119.742 119.800 0.069 0.000 2.096 491 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 491 Q C 2.418 178.459 176.000 0.069 0.000 0.982 491 Q CA 1.862 57.701 55.803 0.059 0.000 0.850 491 Q CB -0.442 28.321 28.738 0.043 0.000 0.901 491 Q HN 0.680 nan 8.270 nan 0.000 0.422 492 A N 0.707 123.576 122.820 0.082 0.000 1.902 492 A HA -0.143 4.177 4.320 0.000 0.000 0.217 492 A C 2.050 179.705 177.584 0.118 0.000 1.181 492 A CA 1.018 53.109 52.037 0.090 0.000 0.623 492 A CB -0.603 18.464 19.000 0.112 0.000 0.818 492 A HN 0.286 nan 8.150 nan 0.000 0.443 493 L N -1.060 120.262 121.223 0.166 0.000 2.056 493 L HA -0.139 4.201 4.340 0.000 0.000 0.207 493 L C 2.638 179.655 176.870 0.245 0.000 1.078 493 L CA 0.911 55.896 54.840 0.241 0.000 0.749 493 L CB -0.405 41.776 42.059 0.202 0.000 0.901 493 L HN 0.264 nan 8.230 nan 0.000 0.433 494 R N 0.340 120.930 120.500 0.151 0.000 2.285 494 R HA -0.120 4.220 4.340 0.000 0.000 0.213 494 R C 1.806 178.135 176.300 0.048 0.000 1.068 494 R CA 0.690 56.857 56.100 0.110 0.000 1.004 494 R CB -0.330 30.020 30.300 0.083 0.000 0.873 494 R HN 0.535 nan 8.270 nan 0.000 0.467 495 E N -0.017 120.200 120.200 0.028 0.000 2.268 495 E HA -0.136 4.214 4.350 0.000 0.000 0.195 495 E C 1.357 177.896 176.600 -0.103 0.000 0.995 495 E CA 0.755 57.140 56.400 -0.025 0.000 0.836 495 E CB 0.283 29.971 29.700 -0.020 0.000 0.763 495 E HN 0.201 nan 8.360 nan 0.000 0.491 496 Q N -1.314 118.382 119.800 -0.175 0.000 2.288 496 Q HA 0.146 4.486 4.340 0.000 0.000 0.256 496 Q C -0.426 175.146 176.000 -0.714 0.000 0.835 496 Q CA 0.292 55.805 55.803 -0.482 0.000 0.958 496 Q CB 0.917 29.229 28.738 -0.710 0.000 1.125 496 Q HN 0.107 nan 8.270 nan 0.000 0.513 497 F N 2.184 122.129 119.950 -0.009 0.000 2.434 497 F HA 0.434 4.961 4.527 0.000 0.000 0.355 497 F C -2.126 173.689 175.800 0.025 0.000 1.115 497 F CA -2.509 55.497 58.000 0.009 0.000 1.010 497 F CB 1.381 40.391 39.000 0.016 0.000 1.234 497 F HN -0.201 nan 8.300 nan 0.000 0.439 498 P HA 0.129 nan 4.420 nan 0.000 0.272 498 P C -2.355 175.018 177.300 0.122 0.000 1.230 498 P CA -0.944 62.211 63.100 0.093 0.000 0.788 498 P CB 0.008 31.736 31.700 0.047 0.000 0.949 499 P HA 0.046 nan 4.420 nan 0.000 0.270 499 P C -0.678 176.675 177.300 0.088 0.000 1.223 499 P CA -0.085 63.081 63.100 0.110 0.000 0.785 499 P CB 0.471 32.221 31.700 0.082 0.000 0.923 500 L N 2.246 123.528 121.223 0.098 0.000 2.358 500 L HA 0.152 4.492 4.340 0.000 0.000 0.274 500 L C 1.307 178.190 176.870 0.022 0.000 1.136 500 L CA 0.407 55.256 54.840 0.014 0.000 0.970 500 L CB -0.715 41.278 42.059 -0.109 0.000 1.314 500 L HN 0.308 nan 8.230 nan 0.000 0.427 501 E N 0.923 121.136 120.200 0.021 0.000 2.216 501 E HA 0.001 4.351 4.350 0.000 0.000 0.192 501 E C 0.292 176.907 176.600 0.024 0.000 0.988 501 E CA 0.594 57.010 56.400 0.026 0.000 0.834 501 E CB 0.355 30.069 29.700 0.023 0.000 0.772 501 E HN 0.589 nan 8.360 nan 0.000 0.479 502 T N -0.024 114.534 114.554 0.006 0.000 2.868 502 T HA 0.126 4.476 4.350 0.000 0.000 0.306 502 T C -1.738 172.944 174.700 -0.029 0.000 1.224 502 T CA -1.007 61.096 62.100 0.005 0.000 1.012 502 T CB 1.423 70.293 68.868 0.005 0.000 1.221 502 T HN -0.234 nan 8.240 nan 0.000 0.499 503 D N 2.401 122.780 120.400 -0.036 0.000 2.472 503 D HA 0.382 5.022 4.640 0.000 0.000 0.237 503 D C 0.564 176.825 176.300 -0.066 0.000 1.141 503 D CA 0.553 54.509 54.000 -0.073 0.000 0.875 503 D CB 0.431 41.193 40.800 -0.064 0.000 1.192 503 D HN 0.687 nan 8.370 nan 0.000 0.450 504 R N 0.129 120.576 120.500 -0.087 0.000 2.692 504 R HA 0.591 4.931 4.340 0.000 0.000 0.269 504 R C -3.144 173.118 176.300 -0.063 0.000 1.030 504 R CA -1.648 54.417 56.100 -0.059 0.000 0.882 504 R CB 0.278 30.553 30.300 -0.043 0.000 1.250 504 R HN 0.014 nan 8.270 nan 0.000 0.465 505 P HA 0.128 nan 4.420 nan 0.000 0.267 505 P C -0.278 177.012 177.300 -0.017 0.000 1.205 505 P CA -0.230 62.853 63.100 -0.028 0.000 0.765 505 P CB 0.586 32.278 31.700 -0.015 0.000 0.828 506 L N 1.670 122.884 121.223 -0.016 0.000 2.731 506 L HA 0.174 4.514 4.340 0.000 0.000 0.240 506 L C 2.299 179.187 176.870 0.029 0.000 1.120 506 L CA 0.387 55.233 54.840 0.011 0.000 0.913 506 L CB -0.302 41.759 42.059 0.003 0.000 1.213 506 L HN 0.533 nan 8.230 nan 0.000 0.515 507 G N 0.231 109.042 108.800 0.018 0.000 2.491 507 G HA2 -0.300 3.660 3.960 0.000 0.000 0.218 507 G HA3 -0.300 3.660 3.960 0.000 0.000 0.218 507 G C 1.400 176.318 174.900 0.030 0.000 1.180 507 G CA 0.713 45.825 45.100 0.020 0.000 0.774 507 G HN 0.384 nan 8.290 nan 0.000 0.562 508 Q N -0.107 119.715 119.800 0.038 0.000 2.119 508 Q HA -0.069 4.271 4.340 0.000 0.000 0.201 508 Q C 2.492 178.548 176.000 0.093 0.000 0.972 508 Q CA 1.240 57.073 55.803 0.051 0.000 0.847 508 Q CB -0.102 28.662 28.738 0.042 0.000 0.903 508 Q HN 0.622 nan 8.270 nan 0.000 0.433 509 E N 0.594 120.868 120.200 0.123 0.000 2.106 509 E HA -0.137 4.213 4.350 0.000 0.000 0.192 509 E C 1.952 178.589 176.600 0.062 0.000 0.984 509 E CA 0.711 57.252 56.400 0.235 0.000 0.806 509 E CB -0.003 29.859 29.700 0.271 0.000 0.750 509 E HN 0.334 nan 8.360 nan 0.000 0.458 510 I N 1.094 121.664 120.570 0.001 0.000 2.226 510 I HA -0.275 3.895 4.170 0.000 0.000 0.245 510 I C 2.528 178.616 176.117 -0.049 0.000 1.100 510 I CA 1.006 62.269 61.300 -0.062 0.000 1.374 510 I CB -0.279 37.709 38.000 -0.021 0.000 1.057 510 I HN 0.088 nan 8.210 nan 0.000 0.413 511 A N 0.681 123.502 122.820 0.001 0.000 1.902 511 A HA -0.148 4.172 4.320 0.000 0.000 0.217 511 A C 2.541 180.140 177.584 0.026 0.000 1.181 511 A CA 1.830 53.872 52.037 0.009 0.000 0.623 511 A CB -0.851 18.162 19.000 0.022 0.000 0.818 511 A HN 0.427 nan 8.150 nan 0.000 0.443 512 A N -0.567 122.300 122.820 0.079 0.000 1.902 512 A HA -0.034 4.286 4.320 0.000 0.000 0.217 512 A C 2.131 179.803 177.584 0.147 0.000 1.181 512 A CA 1.759 53.879 52.037 0.138 0.000 0.623 512 A CB -0.617 18.523 19.000 0.233 0.000 0.818 512 A HN 0.669 nan 8.150 nan 0.000 0.443 513 L N -0.241 121.015 121.223 0.055 0.000 2.093 513 L HA -0.007 4.333 4.340 0.000 0.000 0.208 513 L C 2.654 179.439 176.870 -0.142 0.000 1.085 513 L CA 2.043 56.810 54.840 -0.121 0.000 0.755 513 L CB -0.867 40.849 42.059 -0.571 0.000 0.904 513 L HN 0.346 nan 8.230 nan 0.000 0.435 514 A N -1.518 121.217 122.820 -0.141 0.000 1.908 514 A HA -0.236 4.084 4.320 0.000 0.000 0.218 514 A C 2.265 179.787 177.584 -0.104 0.000 1.181 514 A CA 2.369 54.314 52.037 -0.153 0.000 0.627 514 A CB -1.236 17.705 19.000 -0.097 0.000 0.818 514 A HN 0.508 nan 8.150 nan 0.000 0.445 515 T N -1.479 113.058 114.554 -0.028 0.000 2.788 515 T HA -0.160 4.190 4.350 0.000 0.000 0.268 515 T C 1.848 176.551 174.700 0.005 0.000 1.044 515 T CA 1.886 63.988 62.100 0.004 0.000 1.139 515 T CB -0.377 68.514 68.868 0.038 0.000 0.867 515 T HN 0.810 nan 8.240 nan 0.000 0.454 516 H N 1.122 120.148 119.070 -0.073 0.000 2.326 516 H HA 0.128 4.684 4.556 0.000 0.000 0.301 516 H C 1.997 177.245 175.328 -0.133 0.000 1.081 516 H CA 1.172 57.180 56.048 -0.066 0.000 1.334 516 H CB -0.492 29.254 29.762 -0.026 0.000 1.385 516 H HN 0.236 nan 8.280 nan 0.000 0.504 517 L N -0.017 120.993 121.223 -0.354 0.000 2.127 517 L HA -0.172 4.168 4.340 0.000 0.000 0.211 517 L C 2.279 178.976 176.870 -0.289 0.000 1.089 517 L CA 1.005 55.498 54.840 -0.578 0.000 0.757 517 L CB -0.498 41.051 42.059 -0.851 0.000 0.899 517 L HN 0.331 nan 8.230 nan 0.000 0.434 518 L N -0.759 120.342 121.223 -0.203 0.000 2.376 518 L HA -0.154 4.186 4.340 0.000 0.000 0.219 518 L C 2.140 178.969 176.870 -0.068 0.000 1.133 518 L CA 0.963 55.753 54.840 -0.084 0.000 0.816 518 L CB -0.186 41.858 42.059 -0.025 0.000 0.933 518 L HN 0.390 nan 8.230 nan 0.000 0.449 519 Q N -1.576 118.091 119.800 -0.222 0.000 2.245 519 Q HA 0.211 4.551 4.340 0.000 0.000 0.236 519 Q C -0.082 175.488 176.000 -0.718 0.000 0.842 519 Q CA 0.040 55.675 55.803 -0.280 0.000 0.945 519 Q CB 1.098 29.788 28.738 -0.080 0.000 1.122 519 Q HN 0.432 nan 8.270 nan 0.000 0.506 520 Q N -0.087 119.252 119.800 -0.769 0.000 2.379 520 Q HA 0.481 4.821 4.340 0.000 0.000 0.278 520 Q C -1.270 174.621 176.000 -0.182 0.000 1.068 520 Q CA -0.433 55.007 55.803 -0.605 0.000 0.816 520 Q CB 2.676 31.188 28.738 -0.377 0.000 1.387 520 Q HN -0.068 nan 8.270 nan 0.000 0.413 521 S N 1.907 117.583 115.700 -0.039 0.000 2.690 521 S HA 0.565 5.035 4.470 0.000 0.000 0.291 521 S C -2.417 171.996 174.600 -0.311 0.000 1.138 521 S CA -1.178 56.947 58.200 -0.124 0.000 1.013 521 S CB 0.973 64.144 63.200 -0.048 0.000 1.053 521 S HN 0.421 nan 8.310 nan 0.000 0.539 522 P HA 0.261 nan 4.420 nan 0.000 0.274 522 P C -0.683 176.429 177.300 -0.313 0.000 1.470 522 P CA -0.141 62.586 63.100 -0.622 0.000 1.001 522 P CB -0.037 31.006 31.700 -1.095 0.000 1.332 523 V N 0.000 119.821 119.914 -0.155 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.243 62.300 -0.096 0.000 1.235 523 V CB 0.000 31.781 31.823 -0.070 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556