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_H DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.610 176.600 0.017 0.000 0.988 8 K CA 0.000 56.298 56.287 0.018 0.000 0.838 8 K CB 0.000 32.512 32.500 0.020 0.000 1.064 9 P HA 0.084 nan 4.420 nan 0.000 0.264 9 P C -1.508 175.801 177.300 0.014 0.000 1.179 9 P CA -0.135 62.976 63.100 0.018 0.000 0.763 9 P CB 0.739 32.454 31.700 0.024 0.000 0.806 10 A N 2.427 125.253 122.820 0.011 0.000 2.343 10 A HA 0.530 4.850 4.320 0.000 0.000 0.316 10 A C -0.802 176.785 177.584 0.005 0.000 1.104 10 A CA -0.587 51.454 52.037 0.006 0.000 0.768 10 A CB 1.127 20.130 19.000 0.005 0.000 1.213 10 A HN 0.346 nan 8.150 nan 0.000 0.456 11 V N 2.852 122.766 119.914 0.000 0.000 2.333 11 V HA 0.260 4.380 4.120 0.000 0.000 0.274 11 V C 0.312 176.404 176.094 -0.005 0.000 1.028 11 V CA -0.352 61.947 62.300 -0.002 0.000 0.851 11 V CB 1.106 32.923 31.823 -0.009 0.000 1.000 11 V HN 0.960 nan 8.190 nan 0.000 0.456 12 E N 4.667 124.867 120.200 -0.000 0.000 2.105 12 E HA 0.342 4.692 4.350 0.000 0.000 0.285 12 E C -0.882 175.718 176.600 -0.001 0.000 1.055 12 E CA -0.756 55.644 56.400 -0.001 0.000 0.843 12 E CB 1.177 30.879 29.700 0.003 0.000 1.067 12 E HN 0.569 nan 8.360 nan 0.000 0.398 13 L N 5.353 126.572 121.223 -0.008 0.000 2.265 13 L HA 0.289 4.629 4.340 0.000 0.000 0.288 13 L C -0.204 176.664 176.870 -0.003 0.000 1.058 13 L CA 0.476 55.309 54.840 -0.011 0.000 0.809 13 L CB 1.311 43.356 42.059 -0.022 0.000 1.179 13 L HN 0.716 nan 8.230 nan 0.000 0.429 14 D N 2.674 123.078 120.400 0.006 0.000 3.074 14 D HA 0.197 4.837 4.640 0.000 0.000 0.227 14 D C 1.336 177.645 176.300 0.015 0.000 1.553 14 D CA 0.704 54.710 54.000 0.011 0.000 1.347 14 D CB 0.713 41.523 40.800 0.018 0.000 1.021 14 D HN 0.581 nan 8.370 nan 0.000 0.260 15 R N -1.701 118.819 120.500 0.034 0.000 2.243 15 R HA 0.213 4.553 4.340 0.000 0.000 0.193 15 R C 0.149 176.494 176.300 0.076 0.000 0.933 15 R CA -0.120 56.008 56.100 0.046 0.000 1.105 15 R CB 0.662 30.993 30.300 0.052 0.000 1.169 15 R HN 0.217 nan 8.270 nan 0.000 0.599 16 H N -0.101 118.962 119.070 -0.011 0.000 2.622 16 H HA 0.574 5.130 4.556 0.000 0.000 0.363 16 H C -1.494 173.828 175.328 -0.010 0.000 1.151 16 H CA -0.692 55.349 56.048 -0.013 0.000 1.184 16 H CB 1.666 31.421 29.762 -0.012 0.000 1.643 16 H HN -0.003 nan 8.280 nan 0.000 0.531 17 I N 4.128 124.332 120.570 -0.610 0.000 2.607 17 I HA 0.241 4.411 4.170 0.000 0.000 0.290 17 I C -1.250 174.591 176.117 -0.461 0.000 1.129 17 I CA -0.806 60.292 61.300 -0.336 0.000 1.042 17 I CB 1.503 39.393 38.000 -0.184 0.000 1.242 17 I HN 0.859 nan 8.210 nan 0.000 0.421 18 D N 6.155 126.462 120.400 -0.155 0.000 2.411 18 D HA 0.207 4.847 4.640 0.000 0.000 0.251 18 D C 1.020 177.299 176.300 -0.035 0.000 1.201 18 D CA -0.543 53.431 54.000 -0.044 0.000 0.996 18 D CB 0.936 41.783 40.800 0.078 0.000 1.101 18 D HN 0.506 nan 8.370 nan 0.000 0.504 19 L N -0.438 120.788 121.223 0.005 0.000 2.083 19 L HA -0.141 4.199 4.340 0.000 0.000 0.209 19 L C 1.501 178.410 176.870 0.066 0.000 1.083 19 L CA 1.370 56.228 54.840 0.030 0.000 0.752 19 L CB -0.490 41.599 42.059 0.049 0.000 0.899 19 L HN 0.436 nan 8.230 nan 0.000 0.433 20 D N -0.218 120.223 120.400 0.068 0.000 2.117 20 D HA -0.168 4.472 4.640 0.000 0.000 0.198 20 D C 2.348 178.693 176.300 0.075 0.000 0.982 20 D CA 1.047 55.103 54.000 0.093 0.000 0.828 20 D CB -0.099 40.748 40.800 0.079 0.000 0.967 20 D HN 0.393 nan 8.370 nan 0.000 0.464 21 Q N 0.333 120.156 119.800 0.039 0.000 2.084 21 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 21 Q C 2.243 178.242 176.000 -0.001 0.000 0.978 21 Q CA 1.344 57.157 55.803 0.017 0.000 0.844 21 Q CB -0.122 28.616 28.738 -0.001 0.000 0.898 21 Q HN 0.208 nan 8.270 nan 0.000 0.426 22 A N 0.981 123.796 122.820 -0.008 0.000 1.908 22 A HA -0.255 4.065 4.320 0.000 0.000 0.218 22 A C 1.969 179.534 177.584 -0.031 0.000 1.181 22 A CA 1.726 53.745 52.037 -0.029 0.000 0.627 22 A CB -0.868 18.114 19.000 -0.030 0.000 0.818 22 A HN 0.457 nan 8.150 nan 0.000 0.445 23 H N -0.119 118.900 119.070 -0.084 0.000 2.428 23 H HA 0.043 4.599 4.556 0.000 0.000 0.296 23 H C 2.261 177.507 175.328 -0.137 0.000 1.062 23 H CA 1.409 57.368 56.048 -0.147 0.000 1.350 23 H CB -0.159 29.431 29.762 -0.287 0.000 1.403 23 H HN 0.413 nan 8.280 nan 0.000 0.533 24 A N 0.501 123.317 122.820 -0.007 0.000 1.902 24 A HA -0.116 4.205 4.320 0.000 0.000 0.217 24 A C 2.826 180.370 177.584 -0.067 0.000 1.181 24 A CA 1.730 53.764 52.037 -0.006 0.000 0.623 24 A CB -0.882 18.138 19.000 0.033 0.000 0.818 24 A HN 0.288 nan 8.150 nan 0.000 0.443 25 V N -0.305 119.562 119.914 -0.080 0.000 2.323 25 V HA -0.180 3.940 4.120 0.000 0.000 0.244 25 V C 3.044 179.043 176.094 -0.160 0.000 1.041 25 V CA 1.791 64.037 62.300 -0.091 0.000 1.025 25 V CB -1.219 30.556 31.823 -0.079 0.000 0.656 25 V HN 0.606 nan 8.190 nan 0.000 0.451 26 A N 0.820 123.504 122.820 -0.226 0.000 1.933 26 A HA -0.188 4.132 4.320 0.000 0.000 0.218 26 A C 2.388 179.749 177.584 -0.372 0.000 1.175 26 A CA 2.169 54.017 52.037 -0.315 0.000 0.628 26 A CB -0.638 18.180 19.000 -0.303 0.000 0.814 26 A HN 0.689 nan 8.150 nan 0.000 0.444 27 S N -1.960 113.539 115.700 -0.334 0.000 2.603 27 S HA 0.374 4.844 4.470 0.000 0.000 0.220 27 S C 1.368 176.090 174.600 0.202 0.000 0.967 27 S CA 1.008 59.160 58.200 -0.080 0.000 0.920 27 S CB -0.323 62.736 63.200 -0.234 0.000 0.773 27 S HN 1.934 nan 8.310 nan 0.000 0.529 28 G N 0.388 109.235 108.800 0.077 0.000 2.148 28 G HA2 -0.209 3.751 3.960 0.000 0.000 0.254 28 G HA3 -0.209 3.751 3.960 0.000 0.000 0.254 28 G C 0.814 175.780 174.900 0.110 0.000 0.981 28 G CA 0.107 45.313 45.100 0.177 0.000 0.670 28 G HN 0.967 nan 8.290 nan 0.000 0.528 29 G N -0.587 108.250 108.800 0.063 0.000 2.572 29 G HA2 0.582 4.542 3.960 0.000 0.000 0.216 29 G HA3 0.582 4.542 3.960 0.000 0.000 0.216 29 G C 0.618 175.542 174.900 0.040 0.000 1.133 29 G CA 1.692 46.826 45.100 0.057 0.000 0.791 29 G HN 1.840 nan 8.290 nan 0.000 0.538 30 A N -0.372 122.462 122.820 0.024 0.000 2.549 30 A HA 0.761 5.081 4.320 0.000 0.000 0.297 30 A C -0.268 177.318 177.584 0.004 0.000 1.061 30 A CA -0.852 51.194 52.037 0.015 0.000 0.690 30 A CB 1.464 20.471 19.000 0.012 0.000 1.287 30 A HN 0.197 nan 8.150 nan 0.000 0.402 31 R N -0.082 120.421 120.500 0.005 0.000 2.577 31 R HA 0.598 4.938 4.340 0.000 0.000 0.269 31 R C -0.850 175.444 176.300 -0.010 0.000 1.084 31 R CA -0.394 55.706 56.100 -0.002 0.000 1.163 31 R CB 0.961 31.263 30.300 0.003 0.000 1.100 31 R HN 0.624 nan 8.270 nan 0.000 0.547 32 I N 0.648 121.208 120.570 -0.016 0.000 2.509 32 I HA 0.315 4.485 4.170 0.000 0.000 0.293 32 I C -1.322 174.786 176.117 -0.016 0.000 1.020 32 I CA -0.634 60.654 61.300 -0.020 0.000 1.088 32 I CB 1.941 39.922 38.000 -0.032 0.000 1.267 32 I HN 0.182 nan 8.210 nan 0.000 0.430 33 V N 7.570 127.476 119.914 -0.013 0.000 2.709 33 V HA 0.409 4.529 4.120 0.000 0.000 0.308 33 V C -0.719 175.368 176.094 -0.011 0.000 1.062 33 V CA -0.773 61.521 62.300 -0.010 0.000 0.901 33 V CB 1.802 33.621 31.823 -0.006 0.000 1.003 33 V HN 0.569 nan 8.190 nan 0.000 0.425 34 L N 4.344 125.561 121.223 -0.011 0.000 2.281 34 L HA 0.722 5.062 4.340 0.000 0.000 0.285 34 L C 0.750 177.616 176.870 -0.007 0.000 1.074 34 L CA 0.378 55.212 54.840 -0.011 0.000 0.817 34 L CB 0.876 42.927 42.059 -0.013 0.000 1.168 34 L HN 0.864 nan 8.230 nan 0.000 0.434 35 A N 6.921 129.739 122.820 -0.004 0.000 2.483 35 A HA 0.353 4.673 4.320 0.000 0.000 0.238 35 A C -1.588 175.994 177.584 -0.002 0.000 1.070 35 A CA -0.743 51.293 52.037 -0.001 0.000 0.770 35 A CB -0.370 18.631 19.000 0.002 0.000 1.008 35 A HN 0.786 nan 8.150 nan 0.000 0.497 36 P HA -0.180 nan 4.420 nan 0.000 0.215 36 P C -1.278 176.021 177.300 -0.002 0.000 1.163 36 P CA 2.180 65.278 63.100 -0.002 0.000 0.894 36 P CB -0.744 30.955 31.700 -0.001 0.000 0.791 37 P HA -0.156 nan 4.420 nan 0.000 0.218 37 P C 1.278 178.578 177.300 0.001 0.000 1.149 37 P CA 1.931 65.032 63.100 0.001 0.000 0.817 37 P CB -0.423 31.279 31.700 0.003 0.000 0.785 38 A N 0.695 123.515 122.820 0.000 0.000 1.873 38 A HA -0.158 4.162 4.320 0.000 0.000 0.215 38 A C 2.570 180.151 177.584 -0.005 0.000 1.186 38 A CA 1.486 53.522 52.037 -0.001 0.000 0.616 38 A CB -1.318 17.680 19.000 -0.002 0.000 0.823 38 A HN 0.052 nan 8.150 nan 0.000 0.442 39 R N -0.243 120.253 120.500 -0.007 0.000 2.091 39 R HA -0.180 4.160 4.340 0.000 0.000 0.238 39 R C 1.345 177.639 176.300 -0.011 0.000 1.136 39 R CA 1.949 58.042 56.100 -0.011 0.000 0.959 39 R CB -0.355 29.938 30.300 -0.011 0.000 0.856 39 R HN 0.484 nan 8.270 nan 0.000 0.437 40 D N 0.009 120.405 120.400 -0.007 0.000 2.117 40 D HA -0.134 4.506 4.640 0.000 0.000 0.198 40 D C 2.024 178.321 176.300 -0.005 0.000 0.982 40 D CA 1.049 55.044 54.000 -0.007 0.000 0.828 40 D CB -0.166 40.632 40.800 -0.004 0.000 0.967 40 D HN 0.304 nan 8.370 nan 0.000 0.464 41 R N 0.160 120.659 120.500 -0.002 0.000 2.096 41 R HA -0.071 4.269 4.340 0.000 0.000 0.235 41 R C 2.515 178.815 176.300 0.000 0.000 1.127 41 R CA 0.926 57.028 56.100 0.002 0.000 0.968 41 R CB -0.482 29.822 30.300 0.006 0.000 0.861 41 R HN 0.228 nan 8.270 nan 0.000 0.440 42 C N 0.008 119.305 119.300 -0.005 0.000 2.440 42 C HA -0.006 4.455 4.460 0.000 0.000 0.278 42 C C 2.572 177.548 174.990 -0.024 0.000 1.295 42 C CA 0.425 59.436 59.018 -0.011 0.000 1.738 42 C CB -0.764 26.966 27.740 -0.016 0.000 1.987 42 C HN 0.455 nan 8.230 nan 0.000 0.492 43 R N 1.166 121.651 120.500 -0.025 0.000 2.096 43 R HA -0.089 4.251 4.340 0.000 0.000 0.235 43 R C 2.356 178.638 176.300 -0.030 0.000 1.127 43 R CA 1.562 57.642 56.100 -0.032 0.000 0.968 43 R CB -0.455 29.829 30.300 -0.025 0.000 0.861 43 R HN 0.543 nan 8.270 nan 0.000 0.440 44 A N 0.191 122.999 122.820 -0.019 0.000 1.969 44 A HA -0.138 4.182 4.320 0.000 0.000 0.218 44 A C 2.167 179.737 177.584 -0.023 0.000 1.169 44 A CA 1.631 53.658 52.037 -0.015 0.000 0.635 44 A CB -0.381 18.616 19.000 -0.004 0.000 0.810 44 A HN 0.273 nan 8.150 nan 0.000 0.445 45 S N -0.854 114.834 115.700 -0.019 0.000 2.387 45 S HA -0.149 4.321 4.470 0.000 0.000 0.226 45 S C 1.988 176.534 174.600 -0.091 0.000 1.026 45 S CA 1.348 59.533 58.200 -0.025 0.000 0.972 45 S CB -0.296 62.916 63.200 0.019 0.000 0.814 45 S HN 0.676 nan 8.310 nan 0.000 0.477 46 E N 0.401 120.555 120.200 -0.078 0.000 2.110 46 E HA -0.125 4.225 4.350 0.000 0.000 0.193 46 E C 2.024 178.564 176.600 -0.099 0.000 0.988 46 E CA 1.047 57.387 56.400 -0.099 0.000 0.804 46 E CB -0.307 29.339 29.700 -0.091 0.000 0.745 46 E HN 0.601 nan 8.360 nan 0.000 0.458 47 A N 1.244 124.021 122.820 -0.073 0.000 1.930 47 A HA -0.134 4.186 4.320 0.000 0.000 0.217 47 A C 2.131 179.665 177.584 -0.083 0.000 1.175 47 A CA 1.124 53.126 52.037 -0.058 0.000 0.627 47 A CB -0.351 18.628 19.000 -0.035 0.000 0.815 47 A HN 0.161 nan 8.150 nan 0.000 0.443 48 R N -1.104 119.333 120.500 -0.107 0.000 2.096 48 R HA -0.101 4.239 4.340 0.000 0.000 0.235 48 R C 2.087 178.233 176.300 -0.258 0.000 1.127 48 R CA 1.372 57.395 56.100 -0.129 0.000 0.968 48 R CB -0.600 29.648 30.300 -0.087 0.000 0.861 48 R HN 0.495 nan 8.270 nan 0.000 0.440 49 L N 0.628 121.605 121.223 -0.409 0.000 2.017 49 L HA -0.026 4.314 4.340 0.000 0.000 0.208 49 L C 2.161 178.889 176.870 -0.236 0.000 1.073 49 L CA 2.130 56.645 54.840 -0.540 0.000 0.745 49 L CB -1.042 40.713 42.059 -0.507 0.000 0.894 49 L HN 0.162 nan 8.230 nan 0.000 0.432 50 G N -1.067 107.651 108.800 -0.138 0.000 2.442 50 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 50 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 50 G C 1.583 176.452 174.900 -0.050 0.000 1.141 50 G CA 0.870 45.933 45.100 -0.062 0.000 0.763 50 G HN 0.657 nan 8.290 nan 0.000 0.554 51 A N 0.074 122.859 122.820 -0.058 0.000 1.898 51 A HA 0.125 4.445 4.320 0.000 0.000 0.216 51 A C 2.604 180.179 177.584 -0.015 0.000 1.181 51 A CA 1.675 53.695 52.037 -0.029 0.000 0.620 51 A CB -0.602 18.385 19.000 -0.023 0.000 0.819 51 A HN 0.241 nan 8.150 nan 0.000 0.442 52 V N 0.447 120.342 119.914 -0.031 0.000 2.287 52 V HA -0.304 3.816 4.120 0.000 0.000 0.248 52 V C 2.432 178.546 176.094 0.034 0.000 1.053 52 V CA 2.237 64.551 62.300 0.023 0.000 1.027 52 V CB -0.687 31.157 31.823 0.035 0.000 0.646 52 V HN 0.586 nan 8.190 nan 0.000 0.447 53 I N -0.582 119.991 120.570 0.006 0.000 2.252 53 I HA -0.226 3.944 4.170 0.000 0.000 0.245 53 I C 2.706 178.829 176.117 0.011 0.000 1.102 53 I CA 1.507 62.817 61.300 0.016 0.000 1.385 53 I CB -0.398 37.603 38.000 0.001 0.000 1.064 53 I HN 0.196 nan 8.210 nan 0.000 0.414 54 R N 1.394 121.895 120.500 0.002 0.000 2.081 54 R HA -0.168 4.172 4.340 0.000 0.000 0.235 54 R C 1.864 178.169 176.300 0.009 0.000 1.131 54 R CA 1.507 57.608 56.100 0.002 0.000 0.960 54 R CB -0.088 30.210 30.300 -0.003 0.000 0.856 54 R HN 0.364 nan 8.270 nan 0.000 0.436 55 E N -0.651 119.560 120.200 0.017 0.000 2.502 55 E HA 0.124 4.474 4.350 0.000 0.000 0.194 55 E C 0.058 176.677 176.600 0.031 0.000 1.062 55 E CA 0.412 56.827 56.400 0.024 0.000 0.867 55 E CB 0.438 30.158 29.700 0.032 0.000 0.888 55 E HN 0.435 nan 8.360 nan 0.000 0.510 56 A N 1.987 124.827 122.820 0.032 0.000 2.739 56 A HA -0.216 4.104 4.320 0.000 0.000 0.296 56 A C -0.054 177.565 177.584 0.058 0.000 1.488 56 A CA 0.500 52.558 52.037 0.035 0.000 0.746 56 A CB -1.301 17.708 19.000 0.016 0.000 1.047 56 A HN 0.118 nan 8.150 nan 0.000 0.477 57 R N 0.116 120.669 120.500 0.089 0.000 2.594 57 R HA 0.182 4.522 4.340 0.000 0.000 0.272 57 R C 0.480 176.892 176.300 0.187 0.000 1.074 57 R CA -0.259 55.920 56.100 0.131 0.000 1.105 57 R CB 0.219 30.608 30.300 0.150 0.000 1.008 57 R HN 0.710 nan 8.270 nan 0.000 0.472 58 H N 1.820 120.930 119.070 0.066 0.000 3.157 58 H HA 0.228 4.784 4.556 0.000 0.000 0.260 58 H C -0.866 174.524 175.328 0.104 0.000 1.232 58 H CA -0.388 55.689 56.048 0.048 0.000 1.488 58 H CB 0.196 29.961 29.762 0.004 0.000 1.548 58 H HN 0.051 nan 8.280 nan 0.000 0.487 59 V N 5.927 126.035 119.914 0.323 0.000 2.709 59 V HA 0.009 4.129 4.120 0.000 0.000 0.308 59 V C -0.754 175.560 176.094 0.367 0.000 1.062 59 V CA -1.027 61.498 62.300 0.374 0.000 0.901 59 V CB 1.506 33.546 31.823 0.361 0.000 1.003 59 V HN 0.627 nan 8.190 nan 0.000 0.425 60 Y N 3.381 123.931 120.300 0.417 0.000 2.729 60 Y HA 0.398 4.948 4.550 0.000 0.000 0.331 60 Y C 1.324 177.307 175.900 0.139 0.000 1.208 60 Y CA 1.648 59.876 58.100 0.212 0.000 1.521 60 Y CB 0.474 39.110 38.460 0.295 0.000 1.233 60 Y HN 1.036 nan 8.280 nan 0.000 0.539 61 G N 4.092 112.613 108.800 -0.465 0.000 2.225 61 G HA2 -0.302 3.658 3.960 0.000 0.000 0.254 61 G HA3 -0.302 3.658 3.960 0.000 0.000 0.254 61 G C 0.652 175.511 174.900 -0.068 0.000 0.988 61 G CA 0.538 45.452 45.100 -0.310 0.000 0.625 61 G HN 0.668 nan 8.290 nan 0.000 0.527 62 L N 0.152 121.378 121.223 0.005 0.000 2.537 62 L HA 0.311 4.651 4.340 0.000 0.000 0.224 62 L C 2.056 178.934 176.870 0.013 0.000 1.065 62 L CA 1.575 56.447 54.840 0.053 0.000 0.860 62 L CB 0.561 42.700 42.059 0.133 0.000 1.086 62 L HN 0.487 nan 8.230 nan 0.000 0.482 63 T N -4.302 110.252 114.554 0.001 0.000 3.488 63 T HA 0.171 4.521 4.350 0.000 0.000 0.312 63 T C 0.196 174.866 174.700 -0.049 0.000 0.931 63 T CA 0.139 62.231 62.100 -0.013 0.000 0.982 63 T CB -0.055 68.834 68.868 0.035 0.000 1.198 63 T HN 0.151 nan 8.240 nan 0.000 0.545 64 T N -1.901 112.570 114.554 -0.139 0.000 2.841 64 T HA 0.807 5.157 4.350 0.000 0.000 0.296 64 T C 0.590 175.017 174.700 -0.455 0.000 1.166 64 T CA -0.277 61.713 62.100 -0.182 0.000 1.007 64 T CB 1.433 70.280 68.868 -0.034 0.000 1.253 64 T HN 0.323 nan 8.240 nan 0.000 0.511 65 G N -0.356 108.225 108.800 -0.366 0.000 2.508 65 G HA2 0.582 4.542 3.960 0.000 0.000 0.278 65 G HA3 0.582 4.542 3.960 0.000 0.000 0.278 65 G C -1.179 173.285 174.900 -0.727 0.000 1.389 65 G CA -0.802 44.012 45.100 -0.478 0.000 1.050 65 G HN 0.543 nan 8.290 nan 0.000 0.522 66 F N -0.996 118.905 119.950 -0.082 0.000 2.538 66 F HA 0.614 5.141 4.527 0.000 0.000 0.325 66 F C 1.090 176.976 175.800 0.142 0.000 1.066 66 F CA 0.348 58.343 58.000 -0.009 0.000 0.946 66 F CB 1.553 40.561 39.000 0.013 0.000 1.199 66 F HN 1.041 nan 8.300 nan 0.000 0.473 67 G N 2.164 111.263 108.800 0.500 0.000 2.596 67 G HA2 -0.282 3.678 3.960 0.000 0.000 0.295 67 G HA3 -0.282 3.678 3.960 0.000 0.000 0.295 67 G C -1.929 173.085 174.900 0.189 0.000 1.240 67 G CA -0.151 45.110 45.100 0.269 0.000 0.985 67 G HN 0.512 nan 8.290 nan 0.000 0.555 68 P HA 0.111 nan 4.420 nan 0.000 0.228 68 P C 1.656 178.995 177.300 0.065 0.000 1.151 68 P CA 0.796 63.942 63.100 0.076 0.000 0.770 68 P CB -0.084 31.647 31.700 0.051 0.000 0.786 69 L N -1.790 119.473 121.223 0.067 0.000 2.612 69 L HA 0.176 4.516 4.340 0.000 0.000 0.230 69 L C 1.973 178.852 176.870 0.015 0.000 1.140 69 L CA 0.061 54.917 54.840 0.028 0.000 0.896 69 L CB -0.667 41.395 42.059 0.006 0.000 1.065 69 L HN -0.036 nan 8.230 nan 0.000 0.447 70 A N 1.356 124.220 122.820 0.074 0.000 2.121 70 A HA -0.162 4.158 4.320 0.000 0.000 0.218 70 A C 2.026 179.652 177.584 0.070 0.000 1.154 70 A CA 1.301 53.391 52.037 0.089 0.000 0.679 70 A CB -0.460 18.692 19.000 0.254 0.000 0.795 70 A HN 0.643 nan 8.150 nan 0.000 0.458 71 N N -0.367 118.364 118.700 0.052 0.000 2.550 71 N HA -0.073 4.667 4.740 0.000 0.000 0.186 71 N C 0.101 175.616 175.510 0.008 0.000 1.110 71 N CA 0.365 53.439 53.050 0.040 0.000 0.912 71 N CB -0.239 38.266 38.487 0.030 0.000 0.968 71 N HN 0.202 nan 8.380 nan 0.000 0.448 72 R N 1.059 121.552 120.500 -0.011 0.000 2.205 72 R HA 0.374 4.714 4.340 0.000 0.000 0.342 72 R C -0.205 176.059 176.300 -0.059 0.000 1.058 72 R CA -0.266 55.812 56.100 -0.037 0.000 0.904 72 R CB 0.628 30.902 30.300 -0.043 0.000 1.089 72 R HN 0.159 nan 8.270 nan 0.000 0.471 73 L N 4.175 125.358 121.223 -0.068 0.000 2.397 73 L HA 0.323 4.663 4.340 0.000 0.000 0.271 73 L C 0.176 176.996 176.870 -0.084 0.000 1.148 73 L CA -0.288 54.496 54.840 -0.094 0.000 0.825 73 L CB 0.508 42.484 42.059 -0.139 0.000 1.117 73 L HN 0.345 nan 8.230 nan 0.000 0.456 74 I N 1.219 121.738 120.570 -0.086 0.000 2.562 74 I HA 0.268 4.438 4.170 0.000 0.000 0.301 74 I C 0.434 176.519 176.117 -0.054 0.000 1.003 74 I CA -0.391 60.866 61.300 -0.072 0.000 1.127 74 I CB 1.899 39.846 38.000 -0.088 0.000 1.304 74 I HN 0.635 nan 8.210 nan 0.000 0.446 75 S N 2.507 118.182 115.700 -0.042 0.000 2.617 75 S HA 0.365 4.835 4.470 0.000 0.000 0.269 75 S C 1.177 175.762 174.600 -0.024 0.000 1.292 75 S CA -0.052 58.129 58.200 -0.032 0.000 1.010 75 S CB 1.420 64.604 63.200 -0.026 0.000 0.944 75 S HN 0.861 nan 8.310 nan 0.000 0.536 76 G N 0.184 108.973 108.800 -0.018 0.000 2.471 76 G HA2 -0.077 3.883 3.960 0.000 0.000 0.219 76 G HA3 -0.077 3.883 3.960 0.000 0.000 0.219 76 G C 0.918 175.811 174.900 -0.013 0.000 1.125 76 G CA 0.185 45.277 45.100 -0.012 0.000 0.775 76 G HN 0.860 nan 8.290 nan 0.000 0.548 77 E N 0.520 120.711 120.200 -0.014 0.000 2.516 77 E HA 0.009 4.359 4.350 0.000 0.000 0.199 77 E C 0.658 177.251 176.600 -0.011 0.000 1.069 77 E CA 0.118 56.511 56.400 -0.013 0.000 0.876 77 E CB 0.124 29.816 29.700 -0.012 0.000 0.843 77 E HN 0.357 nan 8.360 nan 0.000 0.530 78 N N -0.350 118.343 118.700 -0.012 0.000 2.240 78 N HA 0.037 4.777 4.740 0.000 0.000 0.240 78 N C 1.009 176.515 175.510 -0.006 0.000 1.277 78 N CA 0.123 53.168 53.050 -0.008 0.000 0.873 78 N CB 1.247 39.727 38.487 -0.011 0.000 1.222 78 N HN -0.049 nan 8.380 nan 0.000 0.507 79 V N 1.027 120.938 119.914 -0.006 0.000 2.427 79 V HA -0.148 3.972 4.120 0.000 0.000 0.248 79 V C 2.431 178.534 176.094 0.014 0.000 1.051 79 V CA 1.355 63.656 62.300 0.003 0.000 1.048 79 V CB -0.167 31.659 31.823 0.005 0.000 0.666 79 V HN 0.225 nan 8.190 nan 0.000 0.456 80 R N 0.273 120.775 120.500 0.004 0.000 2.083 80 R HA -0.129 4.211 4.340 0.000 0.000 0.237 80 R C 2.368 178.668 176.300 -0.000 0.000 1.137 80 R CA 1.995 58.095 56.100 -0.000 0.000 0.951 80 R CB -1.347 28.948 30.300 -0.008 0.000 0.851 80 R HN 0.513 nan 8.270 nan 0.000 0.434 81 T N 2.318 116.876 114.554 0.006 0.000 2.746 81 T HA -0.123 4.227 4.350 0.000 0.000 0.267 81 T C 1.890 176.608 174.700 0.029 0.000 1.039 81 T CA 1.070 63.177 62.100 0.012 0.000 1.142 81 T CB -0.297 68.582 68.868 0.019 0.000 0.866 81 T HN 0.087 nan 8.240 nan 0.000 0.444 82 L N 1.382 122.632 121.223 0.045 0.000 1.989 82 L HA -0.159 4.181 4.340 0.000 0.000 0.211 82 L C 2.435 179.416 176.870 0.185 0.000 1.071 82 L CA 1.861 56.764 54.840 0.104 0.000 0.749 82 L CB -0.682 41.405 42.059 0.047 0.000 0.890 82 L HN 0.252 nan 8.230 nan 0.000 0.431 83 Q N -0.827 119.045 119.800 0.121 0.000 2.224 83 Q HA -0.097 4.243 4.340 0.000 0.000 0.203 83 Q C 2.202 178.163 176.000 -0.065 0.000 0.970 83 Q CA 1.176 57.026 55.803 0.078 0.000 0.865 83 Q CB -0.301 28.472 28.738 0.059 0.000 0.922 83 Q HN 0.714 nan 8.270 nan 0.000 0.445 84 A N 1.799 124.559 122.820 -0.100 0.000 1.898 84 A HA -0.173 4.147 4.320 0.000 0.000 0.216 84 A C 1.753 179.053 177.584 -0.472 0.000 1.181 84 A CA 1.358 53.228 52.037 -0.277 0.000 0.620 84 A CB -0.314 18.564 19.000 -0.202 0.000 0.819 84 A HN 0.263 nan 8.150 nan 0.000 0.442 85 N N -0.257 118.339 118.700 -0.172 0.000 2.396 85 N HA -0.079 4.661 4.740 0.000 0.000 0.180 85 N C 1.506 177.050 175.510 0.058 0.000 1.028 85 N CA 1.074 54.122 53.050 -0.003 0.000 0.893 85 N CB -0.419 38.152 38.487 0.140 0.000 0.967 85 N HN 0.455 nan 8.380 nan 0.000 0.440 86 L N 0.819 122.015 121.223 -0.045 0.000 1.994 86 L HA -0.075 4.265 4.340 0.000 0.000 0.208 86 L C 1.920 178.499 176.870 -0.485 0.000 1.071 86 L CA 1.426 56.085 54.840 -0.302 0.000 0.745 86 L CB -0.692 41.002 42.059 -0.607 0.000 0.892 86 L HN -0.128 nan 8.230 nan 0.000 0.431 87 V N -0.226 119.473 119.914 -0.358 0.000 2.407 87 V HA -0.341 3.779 4.120 0.000 0.000 0.248 87 V C 2.395 178.353 176.094 -0.227 0.000 1.055 87 V CA 2.206 64.316 62.300 -0.316 0.000 1.049 87 V CB -1.025 30.643 31.823 -0.257 0.000 0.662 87 V HN 0.626 nan 8.190 nan 0.000 0.455 88 H N -0.332 118.628 119.070 -0.183 0.000 2.270 88 H HA -0.185 4.371 4.556 0.000 0.000 0.299 88 H C 2.374 177.630 175.328 -0.119 0.000 1.077 88 H CA 1.682 57.656 56.048 -0.123 0.000 1.294 88 H CB -0.235 29.506 29.762 -0.035 0.000 1.371 88 H HN 0.659 nan 8.280 nan 0.000 0.491 89 H N 0.599 119.695 119.070 0.044 0.000 2.491 89 H HA -0.051 4.505 4.556 0.000 0.000 0.290 89 H C 1.843 177.142 175.328 -0.048 0.000 1.050 89 H CA 0.842 56.887 56.048 -0.005 0.000 1.309 89 H CB -0.235 29.528 29.762 0.001 0.000 1.392 89 H HN 0.337 nan 8.280 nan 0.000 0.554 90 L N 0.860 121.742 121.223 -0.567 0.000 2.418 90 L HA 0.160 4.500 4.340 0.000 0.000 0.218 90 L C 1.907 178.624 176.870 -0.254 0.000 1.125 90 L CA 0.362 54.953 54.840 -0.414 0.000 0.835 90 L CB -0.046 41.704 42.059 -0.515 0.000 0.953 90 L HN 0.251 nan 8.230 nan 0.000 0.454 91 A N 0.160 122.794 122.820 -0.310 0.000 3.029 91 A HA 0.139 4.459 4.320 0.000 0.000 0.251 91 A C 1.220 178.733 177.584 -0.119 0.000 1.749 91 A CA 0.306 52.023 52.037 -0.533 0.000 1.386 91 A CB -0.680 17.969 19.000 -0.585 0.000 1.043 91 A HN 0.363 nan 8.150 nan 0.000 0.638 92 S N -0.599 115.142 115.700 0.069 0.000 2.601 92 S HA 0.382 4.853 4.470 0.000 0.000 0.244 92 S C 0.864 175.565 174.600 0.169 0.000 1.001 92 S CA 0.067 58.338 58.200 0.119 0.000 0.984 92 S CB 0.054 63.291 63.200 0.062 0.000 0.842 92 S HN 0.750 nan 8.310 nan 0.000 0.474 93 G N 1.491 110.503 108.800 0.352 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 -0.130 174.741 174.900 -0.049 0.000 1.247 93 G CA 0.101 45.241 45.100 0.067 0.000 0.840 93 G HN 1.039 nan 8.290 nan 0.000 0.578 94 V N -1.089 118.788 119.914 -0.060 0.000 3.182 94 V HA 1.032 5.152 4.120 0.000 0.000 0.308 94 V C 0.548 176.606 176.094 -0.060 0.000 1.240 94 V CA -0.125 62.142 62.300 -0.055 0.000 1.063 94 V CB 1.097 32.909 31.823 -0.019 0.000 1.076 94 V HN 2.559 nan 8.190 nan 0.000 0.446 95 G N 0.460 109.233 108.800 -0.046 0.000 2.707 95 G HA2 0.072 4.032 3.960 0.000 0.000 0.686 95 G HA3 0.072 4.032 3.960 0.000 0.000 0.686 95 G C -2.743 172.132 174.900 -0.042 0.000 1.315 95 G CA -0.304 44.775 45.100 -0.036 0.000 0.832 95 G HN 1.122 nan 8.290 nan 0.000 0.573 96 P HA 0.391 nan 4.420 nan 0.000 0.267 96 P C 0.892 178.174 177.300 -0.030 0.000 1.200 96 P CA 0.479 63.567 63.100 -0.020 0.000 0.772 96 P CB 0.756 32.453 31.700 -0.004 0.000 0.855 97 V N 1.437 121.334 119.914 -0.028 0.000 3.051 97 V HA 0.154 4.274 4.120 0.000 0.000 0.306 97 V C 0.671 176.760 176.094 -0.009 0.000 1.083 97 V CA -0.656 61.624 62.300 -0.035 0.000 1.104 97 V CB -0.497 31.310 31.823 -0.027 0.000 1.027 97 V HN 0.298 nan 8.190 nan 0.000 0.483 98 L N 2.668 123.882 121.223 -0.015 0.000 2.461 98 L HA 0.265 4.606 4.340 0.000 0.000 0.272 98 L C 0.595 177.486 176.870 0.035 0.000 1.197 98 L CA -0.294 54.549 54.840 0.005 0.000 0.836 98 L CB 0.271 42.324 42.059 -0.011 0.000 1.105 98 L HN 1.024 nan 8.230 nan 0.000 0.477 99 D N 0.191 120.627 120.400 0.061 0.000 2.361 99 D HA -0.125 4.515 4.640 0.000 0.000 0.239 99 D C 0.719 177.110 176.300 0.151 0.000 1.200 99 D CA -0.389 53.680 54.000 0.114 0.000 0.915 99 D CB 0.498 41.372 40.800 0.123 0.000 1.170 99 D HN 0.551 nan 8.370 nan 0.000 0.444 100 W N 1.235 122.541 121.300 0.009 0.000 2.290 100 W HA -0.309 4.351 4.660 0.000 0.000 0.328 100 W C 2.221 178.737 176.519 -0.006 0.000 1.272 100 W CA 2.973 60.323 57.345 0.008 0.000 1.262 100 W CB -0.865 28.601 29.460 0.011 0.000 1.151 100 W HN 0.448 nan 8.180 nan 0.000 0.473 101 T N -0.313 114.365 114.554 0.206 0.000 2.746 101 T HA -0.216 4.134 4.350 0.000 0.000 0.267 101 T C 1.561 176.186 174.700 -0.125 0.000 1.039 101 T CA 2.320 64.394 62.100 -0.043 0.000 1.142 101 T CB -0.893 68.037 68.868 0.104 0.000 0.866 101 T HN 0.199 nan 8.240 nan 0.000 0.444 102 T N 1.922 116.461 114.554 -0.026 0.000 2.777 102 T HA 0.035 4.385 4.350 0.000 0.000 0.266 102 T C 2.434 177.090 174.700 -0.074 0.000 1.040 102 T CA 1.069 63.153 62.100 -0.028 0.000 1.141 102 T CB -0.519 68.361 68.868 0.021 0.000 0.868 102 T HN 0.428 nan 8.240 nan 0.000 0.444 103 A N 1.769 124.534 122.820 -0.091 0.000 1.933 103 A HA -0.108 4.212 4.320 0.000 0.000 0.218 103 A C 2.372 179.856 177.584 -0.167 0.000 1.175 103 A CA 1.384 53.355 52.037 -0.110 0.000 0.628 103 A CB -0.458 18.483 19.000 -0.098 0.000 0.814 103 A HN 0.401 nan 8.150 nan 0.000 0.444 104 R N -0.604 119.729 120.500 -0.279 0.000 2.115 104 R HA 0.005 4.345 4.340 0.000 0.000 0.230 104 R C 2.407 178.576 176.300 -0.217 0.000 1.111 104 R CA 1.029 56.938 56.100 -0.319 0.000 0.976 104 R CB -0.398 29.562 30.300 -0.567 0.000 0.870 104 R HN 0.504 nan 8.270 nan 0.000 0.445 105 A N 1.102 123.812 122.820 -0.183 0.000 1.972 105 A HA -0.181 4.139 4.320 0.000 0.000 0.219 105 A C 2.104 179.635 177.584 -0.088 0.000 1.169 105 A CA 1.263 53.226 52.037 -0.123 0.000 0.635 105 A CB -0.427 18.524 19.000 -0.082 0.000 0.810 105 A HN 0.325 nan 8.150 nan 0.000 0.446 106 M N -0.325 119.226 119.600 -0.081 0.000 2.099 106 M HA -0.112 4.368 4.480 0.000 0.000 0.262 106 M C 1.882 178.145 176.300 -0.062 0.000 1.067 106 M CA 1.926 57.191 55.300 -0.059 0.000 1.124 106 M CB -0.221 32.349 32.600 -0.051 0.000 1.353 106 M HN 0.188 nan 8.290 nan 0.000 0.410 107 V N 1.127 120.994 119.914 -0.078 0.000 2.287 107 V HA -0.281 3.839 4.120 0.000 0.000 0.248 107 V C 2.429 178.484 176.094 -0.065 0.000 1.053 107 V CA 1.786 64.045 62.300 -0.068 0.000 1.027 107 V CB -0.980 30.795 31.823 -0.079 0.000 0.646 107 V HN 0.588 nan 8.190 nan 0.000 0.447 108 L N 0.966 122.139 121.223 -0.082 0.000 2.046 108 L HA -0.094 4.246 4.340 0.000 0.000 0.208 108 L C 2.455 179.289 176.870 -0.061 0.000 1.077 108 L CA 2.391 57.186 54.840 -0.075 0.000 0.747 108 L CB -1.011 40.993 42.059 -0.092 0.000 0.896 108 L HN 0.219 nan 8.230 nan 0.000 0.432 109 A N -0.460 122.325 122.820 -0.057 0.000 1.940 109 A HA -0.272 4.048 4.320 0.000 0.000 0.219 109 A C 2.466 180.027 177.584 -0.038 0.000 1.176 109 A CA 1.900 53.908 52.037 -0.048 0.000 0.631 109 A CB -0.621 18.354 19.000 -0.041 0.000 0.814 109 A HN 0.490 nan 8.150 nan 0.000 0.446 110 R N -0.719 119.761 120.500 -0.034 0.000 2.075 110 R HA -0.062 4.278 4.340 0.000 0.000 0.232 110 R C 1.931 178.218 176.300 -0.022 0.000 1.126 110 R CA 1.486 57.572 56.100 -0.023 0.000 0.963 110 R CB -0.634 29.654 30.300 -0.021 0.000 0.858 110 R HN 0.442 nan 8.270 nan 0.000 0.435 111 L N -0.143 121.062 121.223 -0.030 0.000 2.046 111 L HA -0.089 4.251 4.340 0.000 0.000 0.208 111 L C 1.872 178.725 176.870 -0.028 0.000 1.077 111 L CA 1.607 56.430 54.840 -0.028 0.000 0.747 111 L CB -0.456 41.582 42.059 -0.035 0.000 0.896 111 L HN 0.063 nan 8.230 nan 0.000 0.432 112 V N -1.094 118.798 119.914 -0.038 0.000 2.407 112 V HA -0.258 3.862 4.120 0.000 0.000 0.248 112 V C 2.754 178.829 176.094 -0.030 0.000 1.055 112 V CA 1.751 64.026 62.300 -0.041 0.000 1.049 112 V CB -0.789 30.997 31.823 -0.061 0.000 0.662 112 V HN 0.633 nan 8.190 nan 0.000 0.455 113 S N -0.235 115.450 115.700 -0.025 0.000 2.356 113 S HA -0.149 4.321 4.470 0.000 0.000 0.223 113 S C 1.938 176.536 174.600 -0.003 0.000 1.032 113 S CA 1.715 59.906 58.200 -0.015 0.000 1.005 113 S CB -0.341 62.852 63.200 -0.011 0.000 0.867 113 S HN 0.517 nan 8.310 nan 0.000 0.449 114 I N 1.751 122.321 120.570 0.000 0.000 2.286 114 I HA -0.168 4.002 4.170 0.000 0.000 0.248 114 I C 2.688 178.809 176.117 0.006 0.000 1.115 114 I CA 1.086 62.392 61.300 0.010 0.000 1.392 114 I CB -0.509 37.494 38.000 0.006 0.000 1.065 114 I HN 0.378 nan 8.210 nan 0.000 0.418 115 A N 0.094 122.911 122.820 -0.004 0.000 2.131 115 A HA -0.203 4.117 4.320 0.000 0.000 0.220 115 A C 2.104 179.689 177.584 0.001 0.000 1.158 115 A CA 1.189 53.223 52.037 -0.005 0.000 0.665 115 A CB -0.340 18.653 19.000 -0.012 0.000 0.795 115 A HN 0.417 nan 8.150 nan 0.000 0.460 116 Q N -1.188 118.615 119.800 0.004 0.000 2.369 116 Q HA 0.066 4.406 4.340 0.000 0.000 0.206 116 Q C 1.250 177.260 176.000 0.017 0.000 0.963 116 Q CA 0.848 56.657 55.803 0.009 0.000 0.894 116 Q CB -0.540 28.201 28.738 0.005 0.000 0.965 116 Q HN 1.082 nan 8.270 nan 0.000 0.475 117 G N 0.369 109.183 108.800 0.022 0.000 2.204 117 G HA2 -0.174 3.786 3.960 0.000 0.000 0.244 117 G HA3 -0.174 3.786 3.960 0.000 0.000 0.244 117 G C 0.425 175.360 174.900 0.059 0.000 1.062 117 G CA 0.399 45.518 45.100 0.032 0.000 0.798 117 G HN 0.530 nan 8.290 nan 0.000 0.496 118 A N -1.065 121.803 122.820 0.079 0.000 2.661 118 A HA 0.716 5.036 4.320 0.000 0.000 0.278 118 A C 1.639 179.348 177.584 0.209 0.000 1.090 118 A CA 1.381 53.493 52.037 0.125 0.000 0.969 118 A CB 0.234 19.268 19.000 0.056 0.000 1.240 118 A HN 0.796 nan 8.150 nan 0.000 0.578 119 S N -1.040 114.777 115.700 0.194 0.000 2.502 119 S HA 0.364 4.834 4.470 0.000 0.000 0.215 119 S C 1.549 176.339 174.600 0.318 0.000 1.009 119 S CA 0.744 59.088 58.200 0.239 0.000 0.908 119 S CB 0.389 63.660 63.200 0.117 0.000 0.801 119 S HN 1.695 nan 8.310 nan 0.000 0.505 120 G N 1.837 110.737 108.800 0.166 0.000 2.162 120 G HA2 -0.224 3.736 3.960 0.000 0.000 0.260 120 G HA3 -0.224 3.736 3.960 0.000 0.000 0.260 120 G C 0.213 175.097 174.900 -0.027 0.000 0.976 120 G CA 0.016 45.095 45.100 -0.035 0.000 0.655 120 G HN 0.887 nan 8.290 nan 0.000 0.533 121 A N 0.397 123.224 122.820 0.012 0.000 2.511 121 A HA 0.628 4.948 4.320 0.000 0.000 0.242 121 A C 1.140 178.681 177.584 -0.073 0.000 1.069 121 A CA 1.026 53.053 52.037 -0.017 0.000 0.763 121 A CB 0.229 19.227 19.000 -0.002 0.000 1.001 121 A HN 2.018 nan 8.150 nan 0.000 0.498 122 S N 1.655 117.277 115.700 -0.129 0.000 2.614 122 S HA 0.202 4.672 4.470 0.000 0.000 0.265 122 S C 0.703 175.202 174.600 -0.169 0.000 1.303 122 S CA 0.098 58.154 58.200 -0.240 0.000 1.000 122 S CB 0.675 63.544 63.200 -0.552 0.000 0.935 122 S HN 0.711 nan 8.310 nan 0.000 0.551 123 E N 1.279 121.378 120.200 -0.169 0.000 2.118 123 E HA -0.096 4.254 4.350 0.000 0.000 0.195 123 E C 2.137 178.688 176.600 -0.082 0.000 0.992 123 E CA 1.161 57.501 56.400 -0.100 0.000 0.804 123 E CB -0.751 28.900 29.700 -0.081 0.000 0.741 123 E HN 0.886 nan 8.360 nan 0.000 0.458 124 G N 0.628 109.365 108.800 -0.104 0.000 2.421 124 G HA2 -0.268 3.692 3.960 0.000 0.000 0.216 124 G HA3 -0.268 3.692 3.960 0.000 0.000 0.216 124 G C 1.647 176.525 174.900 -0.037 0.000 1.171 124 G CA 1.291 46.360 45.100 -0.053 0.000 0.775 124 G HN 0.181 nan 8.290 nan 0.000 0.543 125 T N 1.397 115.920 114.554 -0.052 0.000 2.684 125 T HA -0.073 4.277 4.350 0.000 0.000 0.267 125 T C 2.387 177.073 174.700 -0.023 0.000 1.036 125 T CA 1.083 63.167 62.100 -0.026 0.000 1.148 125 T CB -0.180 68.672 68.868 -0.028 0.000 0.863 125 T HN 0.249 nan 8.240 nan 0.000 0.436 126 I N 1.262 121.812 120.570 -0.034 0.000 2.286 126 I HA -0.173 3.997 4.170 0.000 0.000 0.248 126 I C 2.892 178.996 176.117 -0.022 0.000 1.115 126 I CA 1.044 62.328 61.300 -0.027 0.000 1.392 126 I CB -0.469 37.513 38.000 -0.031 0.000 1.065 126 I HN 0.192 nan 8.210 nan 0.000 0.418 127 A N 0.749 123.555 122.820 -0.023 0.000 1.933 127 A HA -0.173 4.147 4.320 0.000 0.000 0.218 127 A C 2.335 179.914 177.584 -0.008 0.000 1.175 127 A CA 1.245 53.272 52.037 -0.016 0.000 0.628 127 A CB -0.376 18.615 19.000 -0.016 0.000 0.814 127 A HN 0.239 nan 8.150 nan 0.000 0.444 128 R N -0.183 120.316 120.500 -0.003 0.000 2.096 128 R HA -0.031 4.309 4.340 0.000 0.000 0.235 128 R C 2.024 178.330 176.300 0.010 0.000 1.127 128 R CA 1.202 57.308 56.100 0.010 0.000 0.968 128 R CB -1.019 29.293 30.300 0.019 0.000 0.861 128 R HN 0.604 nan 8.270 nan 0.000 0.440 129 L N 0.064 121.286 121.223 -0.002 0.000 2.072 129 L HA -0.077 4.263 4.340 0.000 0.000 0.205 129 L C 2.478 179.338 176.870 -0.018 0.000 1.079 129 L CA 1.053 55.887 54.840 -0.009 0.000 0.752 129 L CB -0.446 41.603 42.059 -0.018 0.000 0.906 129 L HN 0.063 nan 8.230 nan 0.000 0.436 130 I N -0.003 120.556 120.570 -0.018 0.000 2.226 130 I HA -0.287 3.883 4.170 0.000 0.000 0.245 130 I C 2.136 178.242 176.117 -0.018 0.000 1.100 130 I CA 1.203 62.491 61.300 -0.021 0.000 1.374 130 I CB -0.413 37.575 38.000 -0.019 0.000 1.057 130 I HN 0.272 nan 8.210 nan 0.000 0.413 131 D N 0.807 121.200 120.400 -0.012 0.000 2.123 131 D HA -0.180 4.460 4.640 0.000 0.000 0.196 131 D C 2.148 178.441 176.300 -0.012 0.000 0.992 131 D CA 0.964 54.958 54.000 -0.011 0.000 0.833 131 D CB -0.346 40.448 40.800 -0.009 0.000 0.954 131 D HN 0.171 nan 8.370 nan 0.000 0.455 132 L N 0.845 122.066 121.223 -0.004 0.000 1.989 132 L HA -0.145 4.195 4.340 0.000 0.000 0.211 132 L C 2.183 179.036 176.870 -0.029 0.000 1.071 132 L CA 1.407 56.249 54.840 0.004 0.000 0.749 132 L CB -0.887 41.191 42.059 0.033 0.000 0.890 132 L HN 0.088 nan 8.230 nan 0.000 0.431 133 L N 0.132 121.326 121.223 -0.048 0.000 2.191 133 L HA -0.203 4.138 4.340 0.000 0.000 0.212 133 L C 1.854 178.696 176.870 -0.046 0.000 1.103 133 L CA 0.868 55.661 54.840 -0.077 0.000 0.769 133 L CB -0.551 41.462 42.059 -0.077 0.000 0.908 133 L HN 0.378 nan 8.230 nan 0.000 0.438 134 N N -0.515 118.172 118.700 -0.022 0.000 2.398 134 N HA -0.007 4.733 4.740 0.000 0.000 0.188 134 N C 0.845 176.365 175.510 0.016 0.000 1.122 134 N CA 0.334 53.383 53.050 -0.003 0.000 0.866 134 N CB 0.198 38.682 38.487 -0.005 0.000 0.970 134 N HN 0.338 nan 8.380 nan 0.000 0.462 135 S N -0.142 115.569 115.700 0.018 0.000 2.694 135 S HA 0.307 4.778 4.470 0.000 0.000 0.278 135 S C 0.750 175.422 174.600 0.120 0.000 1.152 135 S CA -0.473 57.751 58.200 0.040 0.000 1.010 135 S CB 1.532 64.735 63.200 0.006 0.000 1.104 135 S HN -0.089 nan 8.310 nan 0.000 0.547 136 E N 0.022 120.316 120.200 0.156 0.000 2.444 136 E HA 0.354 4.705 4.350 0.000 0.000 0.191 136 E C -0.155 176.739 176.600 0.490 0.000 1.041 136 E CA -0.006 56.576 56.400 0.303 0.000 0.883 136 E CB -0.130 29.651 29.700 0.135 0.000 1.024 136 E HN 0.504 nan 8.360 nan 0.000 0.470 137 L N -0.217 121.213 121.223 0.344 0.000 2.304 137 L HA 0.761 5.101 4.340 0.000 0.000 0.268 137 L C -0.031 176.971 176.870 0.220 0.000 1.010 137 L CA -1.086 53.988 54.840 0.390 0.000 0.813 137 L CB 1.548 43.693 42.059 0.143 0.000 1.315 137 L HN -0.178 nan 8.230 nan 0.000 0.445 138 A N 0.784 123.756 122.820 0.252 0.000 2.549 138 A HA 0.807 5.127 4.320 0.000 0.000 0.297 138 A C -2.822 174.866 177.584 0.174 0.000 1.061 138 A CA -1.378 50.661 52.037 0.004 0.000 0.690 138 A CB 1.875 20.675 19.000 -0.333 0.000 1.287 138 A HN 0.366 nan 8.150 nan 0.000 0.402 139 P HA 0.384 nan 4.420 nan 0.000 0.275 139 P C -0.352 176.868 177.300 -0.132 0.000 1.228 139 P CA 0.085 63.066 63.100 -0.199 0.000 0.786 139 P CB 1.315 32.898 31.700 -0.195 0.000 0.927 140 A N 3.457 126.168 122.820 -0.183 0.000 2.391 140 A HA 0.496 4.816 4.320 0.000 0.000 0.316 140 A C 0.237 177.752 177.584 -0.116 0.000 1.381 140 A CA -0.485 51.496 52.037 -0.092 0.000 0.998 140 A CB -0.472 18.490 19.000 -0.063 0.000 1.147 140 A HN 0.439 nan 8.150 nan 0.000 0.545 141 V N 1.042 120.894 119.914 -0.103 0.000 2.604 141 V HA 0.754 4.874 4.120 0.000 0.000 0.305 141 V C -2.760 173.230 176.094 -0.174 0.000 1.043 141 V CA -2.621 59.594 62.300 -0.142 0.000 0.888 141 V CB 1.784 33.559 31.823 -0.081 0.000 0.995 141 V HN 0.643 nan 8.190 nan 0.000 0.429 142 P HA 0.126 nan 4.420 nan 0.000 0.268 142 P C 0.801 178.016 177.300 -0.142 0.000 1.205 142 P CA 0.338 63.298 63.100 -0.234 0.000 0.771 142 P CB 1.390 32.880 31.700 -0.350 0.000 0.858 143 S N 2.653 118.304 115.700 -0.082 0.000 2.470 143 S HA 0.019 4.489 4.470 0.000 0.000 0.225 143 S C 0.854 175.436 174.600 -0.030 0.000 1.006 143 S CA 0.119 58.293 58.200 -0.043 0.000 0.934 143 S CB -0.106 63.082 63.200 -0.021 0.000 0.778 143 S HN 0.414 nan 8.310 nan 0.000 0.517 144 R N -0.193 120.285 120.500 -0.036 0.000 2.720 144 R HA 0.631 4.971 4.340 0.000 0.000 0.272 144 R C 0.788 177.081 176.300 -0.010 0.000 0.991 144 R CA -0.036 56.055 56.100 -0.016 0.000 1.010 144 R CB 1.488 31.780 30.300 -0.012 0.000 1.141 144 R HN 0.325 nan 8.270 nan 0.000 0.494 145 G N 0.167 108.971 108.800 0.006 0.000 2.705 145 G HA2 -0.213 3.747 3.960 0.000 0.000 0.193 145 G HA3 -0.213 3.747 3.960 0.000 0.000 0.193 145 G C 0.094 175.007 174.900 0.022 0.000 1.015 145 G CA -0.082 45.030 45.100 0.020 0.000 0.743 145 G HN 0.600 nan 8.290 nan 0.000 0.476 146 T N 0.731 115.296 114.554 0.019 0.000 2.907 146 T HA 0.530 4.880 4.350 0.000 0.000 0.284 146 T C 1.421 176.135 174.700 0.023 0.000 1.004 146 T CA 0.479 62.589 62.100 0.017 0.000 1.063 146 T CB 1.643 70.518 68.868 0.013 0.000 0.992 146 T HN 1.162 nan 8.240 nan 0.000 0.483 147 V N 1.238 121.167 119.914 0.025 0.000 3.444 147 V HA 0.610 4.730 4.120 0.000 0.000 0.308 147 V C 1.114 177.234 176.094 0.045 0.000 1.371 147 V CA 0.234 62.556 62.300 0.036 0.000 1.141 147 V CB -1.250 30.596 31.823 0.037 0.000 1.037 147 V HN 1.355 nan 8.190 nan 0.000 0.433 153 L N -0.349 120.843 121.223 -0.051 0.000 2.046 153 L HA -0.121 4.219 4.340 0.000 0.000 0.208 153 L C 2.361 179.184 176.870 -0.079 0.000 1.077 153 L CA 1.370 56.159 54.840 -0.086 0.000 0.747 153 L CB -0.598 41.385 42.059 -0.126 0.000 0.896 153 L HN 0.092 nan 8.230 nan 0.000 0.432 154 T N 0.608 115.138 114.554 -0.039 0.000 2.622 154 T HA -0.100 4.250 4.350 0.000 0.000 0.266 154 T C -0.419 174.348 174.700 0.112 0.000 1.047 154 T CA 1.821 63.930 62.100 0.015 0.000 1.159 154 T CB -1.197 67.704 68.868 0.055 0.000 0.863 154 T HN 0.305 nan 8.240 nan 0.000 0.422 155 P HA 0.005 nan 4.420 nan 0.000 0.218 155 P C 1.587 178.916 177.300 0.048 0.000 1.149 155 P CA 1.012 64.158 63.100 0.076 0.000 0.817 155 P CB -0.234 31.474 31.700 0.013 0.000 0.785 156 L N -0.740 120.483 121.223 -0.001 0.000 2.141 156 L HA -0.074 4.266 4.340 0.000 0.000 0.209 156 L C 2.773 179.609 176.870 -0.057 0.000 1.094 156 L CA 1.253 56.075 54.840 -0.030 0.000 0.763 156 L CB -0.997 41.037 42.059 -0.041 0.000 0.908 156 L HN -0.054 nan 8.230 nan 0.000 0.437 157 A N -0.888 121.875 122.820 -0.095 0.000 1.898 157 A HA -0.215 4.105 4.320 0.000 0.000 0.216 157 A C 2.119 179.595 177.584 -0.180 0.000 1.181 157 A CA 1.239 53.168 52.037 -0.180 0.000 0.620 157 A CB -0.704 18.130 19.000 -0.278 0.000 0.819 157 A HN 0.398 nan 8.150 nan 0.000 0.442 158 H N -1.170 117.846 119.070 -0.089 0.000 2.421 158 H HA -0.092 4.464 4.556 0.000 0.000 0.298 158 H C 2.076 177.338 175.328 -0.110 0.000 1.087 158 H CA 1.723 57.718 56.048 -0.089 0.000 1.330 158 H CB -0.244 29.469 29.762 -0.083 0.000 1.388 158 H HN 0.596 nan 8.280 nan 0.000 0.526 159 M N 0.607 120.210 119.600 0.006 0.000 2.117 159 M HA -0.144 4.336 4.480 0.000 0.000 0.262 159 M C 2.066 178.327 176.300 -0.065 0.000 1.065 159 M CA 1.246 56.515 55.300 -0.052 0.000 1.114 159 M CB -0.087 32.487 32.600 -0.043 0.000 1.361 159 M HN -0.008 nan 8.290 nan 0.000 0.408 160 V N 1.341 121.219 119.914 -0.060 0.000 2.295 160 V HA -0.304 3.817 4.120 0.000 0.000 0.246 160 V C 2.446 178.510 176.094 -0.050 0.000 1.049 160 V CA 1.804 64.072 62.300 -0.054 0.000 1.024 160 V CB -0.790 30.989 31.823 -0.074 0.000 0.648 160 V HN 0.543 nan 8.190 nan 0.000 0.447 161 L N -0.832 120.352 121.223 -0.065 0.000 2.042 161 L HA -0.230 4.110 4.340 0.000 0.000 0.210 161 L C 2.655 179.490 176.870 -0.058 0.000 1.076 161 L CA 1.644 56.457 54.840 -0.046 0.000 0.749 161 L CB -0.771 41.259 42.059 -0.049 0.000 0.893 161 L HN 0.407 nan 8.230 nan 0.000 0.432 162 C N -0.137 119.083 119.300 -0.134 0.000 2.432 162 C HA -0.148 4.312 4.460 0.000 0.000 0.277 162 C C 2.654 177.562 174.990 -0.137 0.000 1.249 162 C CA 0.407 59.232 59.018 -0.322 0.000 1.725 162 C CB -0.851 26.538 27.740 -0.584 0.000 2.028 162 C HN 0.441 nan 8.230 nan 0.000 0.477 163 L N 0.371 121.587 121.223 -0.011 0.000 2.362 163 L HA -0.158 4.182 4.340 0.000 0.000 0.219 163 L C 2.345 179.294 176.870 0.133 0.000 1.134 163 L CA 1.236 56.163 54.840 0.146 0.000 0.807 163 L CB -0.645 41.462 42.059 0.080 0.000 0.927 163 L HN 0.543 nan 8.230 nan 0.000 0.447 164 Q N -0.466 119.382 119.800 0.080 0.000 2.319 164 Q HA 0.142 4.482 4.340 0.000 0.000 0.202 164 Q C 1.337 177.393 176.000 0.094 0.000 0.896 164 Q CA 0.490 56.336 55.803 0.071 0.000 0.942 164 Q CB 0.775 29.535 28.738 0.038 0.000 1.083 164 Q HN 0.535 nan 8.270 nan 0.000 0.510 165 G N 1.829 110.715 108.800 0.144 0.000 2.143 165 G HA2 -0.308 3.652 3.960 0.000 0.000 0.249 165 G HA3 -0.308 3.652 3.960 0.000 0.000 0.249 165 G C 0.576 175.539 174.900 0.104 0.000 0.981 165 G CA 0.082 45.285 45.100 0.172 0.000 0.665 165 G HN 0.313 nan 8.290 nan 0.000 0.528 166 R N 0.114 120.649 120.500 0.057 0.000 2.507 166 R HA 0.465 4.805 4.340 0.000 0.000 0.298 166 R C 1.009 177.311 176.300 0.004 0.000 0.999 166 R CA 0.509 56.629 56.100 0.033 0.000 1.082 166 R CB 0.808 31.128 30.300 0.033 0.000 1.246 166 R HN 0.510 nan 8.270 nan 0.000 0.553 167 G N -0.307 108.474 108.800 -0.031 0.000 2.704 167 G HA2 0.240 4.200 3.960 0.000 0.000 0.293 167 G HA3 0.240 4.200 3.960 0.000 0.000 0.293 167 G C -1.435 173.372 174.900 -0.156 0.000 1.421 167 G CA -0.655 44.393 45.100 -0.088 0.000 0.870 167 G HN -0.128 nan 8.290 nan 0.000 0.492 168 D N -0.492 119.835 120.400 -0.120 0.000 2.360 168 D HA 0.566 5.206 4.640 0.000 0.000 0.242 168 D C -0.437 175.719 176.300 -0.241 0.000 1.184 168 D CA 0.564 54.525 54.000 -0.065 0.000 0.930 168 D CB 0.801 41.599 40.800 -0.003 0.000 1.161 168 D HN 0.103 nan 8.370 nan 0.000 0.447 169 F N -0.740 119.236 119.950 0.043 0.000 2.631 169 F HA 0.539 5.066 4.527 0.000 0.000 0.328 169 F C -0.259 175.589 175.800 0.081 0.000 1.067 169 F CA -0.889 57.146 58.000 0.058 0.000 0.969 169 F CB 1.193 40.228 39.000 0.058 0.000 1.332 169 F HN -0.064 nan 8.300 nan 0.000 0.490 170 L N 1.443 122.879 121.223 0.354 0.000 2.386 170 L HA 0.416 4.756 4.340 0.000 0.000 0.271 170 L C -1.118 175.972 176.870 0.366 0.000 0.993 170 L CA -1.049 53.970 54.840 0.299 0.000 0.819 170 L CB 1.941 44.181 42.059 0.302 0.000 1.294 170 L HN 0.599 nan 8.230 nan 0.000 0.414 171 D N 1.163 121.670 120.400 0.177 0.000 2.451 171 D HA 0.200 4.840 4.640 0.000 0.000 0.259 171 D C 0.845 176.970 176.300 -0.291 0.000 1.201 171 D CA -0.588 53.433 54.000 0.036 0.000 1.028 171 D CB 0.801 41.585 40.800 -0.027 0.000 1.095 171 D HN 0.312 nan 8.370 nan 0.000 0.539 172 R N -0.758 119.315 120.500 -0.711 0.000 2.170 172 R HA -0.107 4.233 4.340 0.000 0.000 0.242 172 R C 0.356 176.318 176.300 -0.563 0.000 1.145 172 R CA 1.355 56.721 56.100 -1.222 0.000 0.984 172 R CB -0.137 29.538 30.300 -1.042 0.000 0.869 172 R HN 0.516 nan 8.270 nan 0.000 0.455 173 D N -1.220 119.004 120.400 -0.293 0.000 2.328 173 D HA 0.084 4.724 4.640 0.000 0.000 0.221 173 D C 1.093 177.355 176.300 -0.063 0.000 1.072 173 D CA 0.789 54.701 54.000 -0.147 0.000 0.850 173 D CB 0.887 41.624 40.800 -0.105 0.000 0.922 173 D HN 0.424 nan 8.370 nan 0.000 0.516 174 G N 1.035 109.817 108.800 -0.031 0.000 2.176 174 G HA2 -0.279 3.681 3.960 0.000 0.000 0.253 174 G HA3 -0.279 3.681 3.960 0.000 0.000 0.253 174 G C 0.654 175.580 174.900 0.043 0.000 0.979 174 G CA 0.300 45.426 45.100 0.043 0.000 0.641 174 G HN 0.307 nan 8.290 nan 0.000 0.530 175 T N 2.243 116.809 114.554 0.020 0.000 2.888 175 T HA 0.413 4.763 4.350 0.000 0.000 0.301 175 T C 0.878 175.613 174.700 0.058 0.000 1.001 175 T CA 0.117 62.233 62.100 0.027 0.000 1.147 175 T CB 0.638 69.512 68.868 0.009 0.000 0.931 175 T HN 0.425 nan 8.240 nan 0.000 0.541 176 R N 2.567 123.101 120.500 0.057 0.000 2.410 176 R HA 0.570 4.910 4.340 0.000 0.000 0.288 176 R C -0.397 175.953 176.300 0.084 0.000 1.051 176 R CA -0.532 55.614 56.100 0.077 0.000 1.021 176 R CB 0.710 31.044 30.300 0.055 0.000 1.032 176 R HN 0.500 nan 8.270 nan 0.000 0.481 177 L N 1.926 123.225 121.223 0.126 0.000 2.354 177 L HA 0.340 4.680 4.340 0.000 0.000 0.269 177 L C -0.221 176.746 176.870 0.161 0.000 1.005 177 L CA -1.299 53.619 54.840 0.130 0.000 0.819 177 L CB 1.891 44.036 42.059 0.144 0.000 1.311 177 L HN 0.669 nan 8.230 nan 0.000 0.423 178 D N 0.990 121.466 120.400 0.126 0.000 2.377 178 D HA 0.103 4.743 4.640 0.000 0.000 0.245 178 D C 1.201 177.626 176.300 0.209 0.000 1.196 178 D CA -0.078 53.998 54.000 0.127 0.000 0.962 178 D CB 0.918 41.766 40.800 0.081 0.000 1.127 178 D HN 0.577 nan 8.370 nan 0.000 0.471 179 G N -0.051 108.864 108.800 0.192 0.000 2.529 179 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 179 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 179 G C 1.502 176.541 174.900 0.231 0.000 1.177 179 G CA 2.033 47.300 45.100 0.278 0.000 0.773 179 G HN 0.711 nan 8.290 nan 0.000 0.573 180 A N 0.644 123.540 122.820 0.126 0.000 1.883 180 A HA -0.079 4.241 4.320 0.000 0.000 0.217 180 A C 2.228 179.836 177.584 0.041 0.000 1.186 180 A CA 2.377 54.457 52.037 0.072 0.000 0.624 180 A CB -0.499 18.531 19.000 0.050 0.000 0.822 180 A HN 0.428 nan 8.150 nan 0.000 0.444 181 E N 0.072 120.302 120.200 0.050 0.000 2.110 181 E HA -0.035 4.315 4.350 0.000 0.000 0.193 181 E C 1.965 178.539 176.600 -0.043 0.000 0.988 181 E CA 1.545 57.954 56.400 0.016 0.000 0.804 181 E CB -0.838 28.884 29.700 0.037 0.000 0.745 181 E HN 0.403 nan 8.360 nan 0.000 0.458 182 G N 0.793 109.565 108.800 -0.047 0.000 2.433 182 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 182 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 182 G C 1.609 176.175 174.900 -0.555 0.000 1.186 182 G CA 0.956 45.801 45.100 -0.424 0.000 0.779 182 G HN 0.320 nan 8.290 nan 0.000 0.543 183 L N -0.228 120.791 121.223 -0.341 0.000 2.131 183 L HA -0.036 4.304 4.340 0.000 0.000 0.210 183 L C 2.931 179.717 176.870 -0.142 0.000 1.092 183 L CA 1.110 55.822 54.840 -0.215 0.000 0.759 183 L CB -0.367 41.661 42.059 -0.051 0.000 0.903 183 L HN 0.205 nan 8.230 nan 0.000 0.435 184 R N 0.488 120.927 120.500 -0.102 0.000 2.056 184 R HA -0.161 4.179 4.340 0.000 0.000 0.227 184 R C 2.534 178.789 176.300 -0.075 0.000 1.149 184 R CA 1.433 57.494 56.100 -0.065 0.000 0.937 184 R CB -0.177 30.101 30.300 -0.037 0.000 0.835 184 R HN 0.151 nan 8.270 nan 0.000 0.430 185 R N -0.462 119.987 120.500 -0.085 0.000 2.105 185 R HA -0.097 4.243 4.340 0.000 0.000 0.239 185 R C 1.839 178.089 176.300 -0.083 0.000 1.135 185 R CA 1.825 57.882 56.100 -0.071 0.000 0.967 185 R CB -0.433 29.830 30.300 -0.062 0.000 0.861 185 R HN 0.411 nan 8.270 nan 0.000 0.442 186 G N -0.418 108.298 108.800 -0.139 0.000 2.985 186 G HA2 -0.046 3.914 3.960 0.000 0.000 0.209 186 G HA3 -0.046 3.914 3.960 0.000 0.000 0.209 186 G C -0.196 174.647 174.900 -0.095 0.000 1.165 186 G CA -0.192 44.832 45.100 -0.127 0.000 0.776 186 G HN 0.348 nan 8.290 nan 0.000 0.541 187 R N -1.017 119.431 120.500 -0.087 0.000 3.264 187 R HA -0.138 4.202 4.340 0.000 0.000 0.251 187 R C -0.682 175.584 176.300 -0.058 0.000 0.971 187 R CA 0.251 56.316 56.100 -0.058 0.000 0.658 187 R CB -2.293 27.984 30.300 -0.038 0.000 1.095 187 R HN 0.336 nan 8.270 nan 0.000 0.443 188 L N 0.535 121.711 121.223 -0.078 0.000 2.334 188 L HA 0.406 4.747 4.340 0.000 0.000 0.272 188 L C 0.692 177.546 176.870 -0.027 0.000 1.020 188 L CA -1.132 53.674 54.840 -0.057 0.000 0.812 188 L CB 1.509 43.514 42.059 -0.090 0.000 1.264 188 L HN 0.021 nan 8.230 nan 0.000 0.439 189 Q N 2.619 122.416 119.800 -0.005 0.000 2.235 189 Q HA 0.369 4.709 4.340 0.000 0.000 0.250 189 Q C -2.298 173.719 176.000 0.028 0.000 0.909 189 Q CA -1.870 53.938 55.803 0.010 0.000 0.910 189 Q CB 1.431 30.175 28.738 0.010 0.000 1.223 189 Q HN 0.299 nan 8.270 nan 0.000 0.432 190 P HA -0.003 nan 4.420 nan 0.000 0.268 190 P C -0.266 177.062 177.300 0.047 0.000 1.204 190 P CA -0.495 62.636 63.100 0.052 0.000 0.768 190 P CB 0.582 32.310 31.700 0.047 0.000 0.842 191 L N 3.074 124.329 121.223 0.053 0.000 2.462 191 L HA 0.176 4.516 4.340 0.000 0.000 0.272 191 L C -0.133 176.759 176.870 0.037 0.000 1.166 191 L CA 0.544 55.409 54.840 0.042 0.000 0.880 191 L CB -0.553 41.528 42.059 0.037 0.000 1.142 191 L HN 0.321 nan 8.230 nan 0.000 0.473 192 D N 4.269 124.695 120.400 0.043 0.000 2.408 192 D HA 0.298 4.938 4.640 0.000 0.000 0.243 192 D C -0.265 176.076 176.300 0.068 0.000 1.075 192 D CA -0.243 53.787 54.000 0.050 0.000 0.832 192 D CB 0.842 41.678 40.800 0.059 0.000 1.162 192 D HN 0.619 nan 8.370 nan 0.000 0.515 193 L N 3.451 124.703 121.223 0.049 0.000 2.912 193 L HA 0.156 4.496 4.340 0.000 0.000 0.240 193 L C 1.761 178.664 176.870 0.056 0.000 1.262 193 L CA -0.212 54.664 54.840 0.058 0.000 1.058 193 L CB -0.146 41.926 42.059 0.023 0.000 1.383 193 L HN 0.452 nan 8.230 nan 0.000 0.512 194 S N -2.095 113.634 115.700 0.048 0.000 2.442 194 S HA -0.204 4.266 4.470 0.000 0.000 0.236 194 S C 1.416 175.943 174.600 -0.122 0.000 1.007 194 S CA 0.940 59.107 58.200 -0.055 0.000 0.965 194 S CB -0.417 62.709 63.200 -0.123 0.000 0.773 194 S HN 0.551 nan 8.310 nan 0.000 0.504 195 H N 1.446 120.511 119.070 -0.009 0.000 2.547 195 H HA 0.382 4.938 4.556 0.000 0.000 0.266 195 H C 0.510 175.831 175.328 -0.012 0.000 0.988 195 H CA 0.294 56.334 56.048 -0.014 0.000 1.147 195 H CB -0.117 29.633 29.762 -0.019 0.000 1.365 195 H HN 0.364 nan 8.280 nan 0.000 0.589 196 R N 0.918 121.467 120.500 0.081 0.000 3.531 196 R HA -0.134 4.206 4.340 0.000 0.000 0.280 196 R C -0.761 175.587 176.300 0.079 0.000 1.130 196 R CA 0.858 56.995 56.100 0.062 0.000 0.757 196 R CB -1.772 28.553 30.300 0.042 0.000 1.218 196 R HN 0.537 nan 8.270 nan 0.000 0.454 197 D N -1.118 119.333 120.400 0.085 0.000 2.615 197 D HA 0.239 4.879 4.640 0.000 0.000 0.236 197 D C 1.206 177.547 176.300 0.067 0.000 1.233 197 D CA 0.301 54.347 54.000 0.077 0.000 0.829 197 D CB 0.355 41.186 40.800 0.052 0.000 1.024 197 D HN 0.286 nan 8.370 nan 0.000 0.490 198 A N 0.449 123.304 122.820 0.059 0.000 1.933 198 A HA -0.114 4.206 4.320 0.000 0.000 0.218 198 A C 1.927 179.530 177.584 0.031 0.000 1.175 198 A CA 0.820 52.873 52.037 0.027 0.000 0.628 198 A CB -0.487 18.516 19.000 0.004 0.000 0.814 198 A HN 0.277 nan 8.150 nan 0.000 0.444 199 L N -0.598 120.674 121.223 0.081 0.000 2.456 199 L HA -0.047 4.293 4.340 0.000 0.000 0.224 199 L C 2.655 179.578 176.870 0.089 0.000 1.148 199 L CA 1.324 56.223 54.840 0.098 0.000 0.825 199 L CB -0.574 41.592 42.059 0.177 0.000 0.937 199 L HN 0.386 nan 8.230 nan 0.000 0.450 200 A N -1.304 121.568 122.820 0.086 0.000 2.119 200 A HA 0.063 4.383 4.320 0.000 0.000 0.216 200 A C 2.144 179.749 177.584 0.035 0.000 1.152 200 A CA 0.900 52.981 52.037 0.074 0.000 0.708 200 A CB -0.239 18.806 19.000 0.075 0.000 0.805 200 A HN 0.390 nan 8.150 nan 0.000 0.460 201 L N -1.079 120.154 121.223 0.017 0.000 2.388 201 L HA 0.119 4.459 4.340 0.000 0.000 0.209 201 L C 0.053 176.910 176.870 -0.022 0.000 1.061 201 L CA 0.296 55.132 54.840 -0.006 0.000 0.834 201 L CB 0.308 42.358 42.059 -0.015 0.000 1.029 201 L HN 0.054 nan 8.230 nan 0.000 0.473 202 V N 1.892 121.787 119.914 -0.033 0.000 2.218 202 V HA 0.377 4.497 4.120 0.000 0.000 0.261 202 V C -0.472 175.602 176.094 -0.032 0.000 1.142 202 V CA -0.239 62.024 62.300 -0.062 0.000 0.965 202 V CB -0.175 31.572 31.823 -0.126 0.000 1.190 202 V HN 0.324 nan 8.190 nan 0.000 0.478 203 N N 1.877 120.571 118.700 -0.010 0.000 3.348 203 N HA 0.523 5.263 4.740 0.000 0.000 0.233 203 N C -0.048 175.485 175.510 0.039 0.000 1.440 203 N CA 0.609 53.674 53.050 0.024 0.000 0.887 203 N CB 2.297 40.816 38.487 0.054 0.000 1.410 203 N HN 0.758 nan 8.380 nan 0.000 0.502 204 G N -0.026 108.828 108.800 0.090 0.000 2.698 204 G HA2 -0.240 3.720 3.960 0.000 0.000 0.233 204 G HA3 -0.240 3.720 3.960 0.000 0.000 0.233 204 G C 0.182 175.127 174.900 0.075 0.000 1.352 204 G CA 0.462 45.618 45.100 0.093 0.000 0.879 204 G HN 1.183 nan 8.290 nan 0.000 0.567 205 T N -3.024 111.560 114.554 0.050 0.000 3.269 205 T HA 0.571 4.921 4.350 0.000 0.000 0.269 205 T C 1.803 176.510 174.700 0.010 0.000 0.993 205 T CA 0.939 63.061 62.100 0.036 0.000 0.909 205 T CB 0.445 69.332 68.868 0.031 0.000 1.115 205 T HN 0.833 nan 8.240 nan 0.000 0.543 206 S N 1.747 117.450 115.700 0.004 0.000 2.374 206 S HA -0.090 4.380 4.470 0.000 0.000 0.227 206 S C 2.467 177.060 174.600 -0.013 0.000 1.037 206 S CA 1.346 59.539 58.200 -0.011 0.000 1.024 206 S CB -0.593 62.598 63.200 -0.015 0.000 0.861 206 S HN 0.837 nan 8.310 nan 0.000 0.456 207 A N 2.540 125.357 122.820 -0.006 0.000 1.854 207 A HA -0.062 4.258 4.320 0.000 0.000 0.214 207 A C 2.274 179.861 177.584 0.004 0.000 1.192 207 A CA 1.692 53.727 52.037 -0.005 0.000 0.611 207 A CB -0.772 18.227 19.000 -0.002 0.000 0.832 207 A HN 0.662 nan 8.150 nan 0.000 0.442 208 M N -1.557 118.049 119.600 0.011 0.000 2.213 208 M HA -0.079 4.401 4.480 0.000 0.000 0.263 208 M C 1.790 178.097 176.300 0.012 0.000 1.062 208 M CA 2.264 57.575 55.300 0.019 0.000 1.105 208 M CB -1.292 31.322 32.600 0.023 0.000 1.385 208 M HN 0.146 nan 8.290 nan 0.000 0.417 209 T N 1.175 115.727 114.554 -0.003 0.000 2.777 209 T HA 0.009 4.359 4.350 0.000 0.000 0.266 209 T C 1.974 176.671 174.700 -0.006 0.000 1.040 209 T CA 1.628 63.717 62.100 -0.018 0.000 1.141 209 T CB -0.718 68.131 68.868 -0.032 0.000 0.868 209 T HN 0.717 nan 8.240 nan 0.000 0.444 210 G N 1.338 110.134 108.800 -0.007 0.000 2.421 210 G HA2 -0.127 3.833 3.960 0.000 0.000 0.216 210 G HA3 -0.127 3.833 3.960 0.000 0.000 0.216 210 G C 1.521 176.434 174.900 0.022 0.000 1.171 210 G CA 0.498 45.593 45.100 -0.008 0.000 0.775 210 G HN 0.484 nan 8.290 nan 0.000 0.543 211 I N 1.472 122.060 120.570 0.030 0.000 2.226 211 I HA -0.176 3.994 4.170 0.000 0.000 0.245 211 I C 3.263 179.432 176.117 0.088 0.000 1.100 211 I CA 1.062 62.395 61.300 0.055 0.000 1.374 211 I CB -0.180 37.850 38.000 0.049 0.000 1.057 211 I HN 0.236 nan 8.210 nan 0.000 0.413 212 A N 1.195 124.068 122.820 0.089 0.000 1.930 212 A HA -0.158 4.162 4.320 0.000 0.000 0.217 212 A C 2.236 179.926 177.584 0.177 0.000 1.175 212 A CA 1.730 53.857 52.037 0.151 0.000 0.627 212 A CB -0.791 18.265 19.000 0.093 0.000 0.815 212 A HN 0.513 nan 8.150 nan 0.000 0.443 213 L N -2.064 119.225 121.223 0.111 0.000 2.217 213 L HA 0.027 4.367 4.340 0.000 0.000 0.211 213 L C 1.938 178.920 176.870 0.186 0.000 1.107 213 L CA 1.493 56.408 54.840 0.125 0.000 0.783 213 L CB -1.063 41.037 42.059 0.068 0.000 0.919 213 L HN 0.001 nan 8.230 nan 0.000 0.442 214 V N 0.790 120.813 119.914 0.181 0.000 2.453 214 V HA -0.155 3.966 4.120 0.000 0.000 0.247 214 V C 2.454 178.674 176.094 0.210 0.000 1.048 214 V CA 1.658 64.104 62.300 0.244 0.000 1.049 214 V CB -0.947 30.986 31.823 0.182 0.000 0.672 214 V HN 0.491 nan 8.190 nan 0.000 0.457 215 N N 0.934 119.733 118.700 0.165 0.000 2.120 215 N HA -0.132 4.608 4.740 0.000 0.000 0.188 215 N C 1.927 177.498 175.510 0.102 0.000 1.024 215 N CA 1.729 54.854 53.050 0.125 0.000 0.852 215 N CB -0.590 37.957 38.487 0.099 0.000 1.003 215 N HN 0.473 nan 8.380 nan 0.000 0.424 216 A N 0.338 123.246 122.820 0.147 0.000 1.883 216 A HA -0.226 4.094 4.320 0.000 0.000 0.217 216 A C 2.128 179.743 177.584 0.052 0.000 1.186 216 A CA 1.963 54.071 52.037 0.118 0.000 0.624 216 A CB -0.991 18.133 19.000 0.207 0.000 0.822 216 A HN 0.468 nan 8.150 nan 0.000 0.444 217 H N -0.243 118.805 119.070 -0.036 0.000 2.321 217 H HA 0.050 4.606 4.556 0.000 0.000 0.300 217 H C 2.226 177.482 175.328 -0.120 0.000 1.087 217 H CA 1.984 57.926 56.048 -0.177 0.000 1.319 217 H CB -0.269 29.248 29.762 -0.409 0.000 1.379 217 H HN 0.396 nan 8.280 nan 0.000 0.501 218 A N -0.348 122.500 122.820 0.046 0.000 1.902 218 A HA -0.190 4.130 4.320 0.000 0.000 0.217 218 A C 2.710 180.289 177.584 -0.007 0.000 1.181 218 A CA 1.528 53.597 52.037 0.055 0.000 0.623 218 A CB -1.231 17.836 19.000 0.112 0.000 0.818 218 A HN 0.651 nan 8.150 nan 0.000 0.443 219 C N -1.345 117.969 119.300 0.023 0.000 2.422 219 C HA -0.026 4.434 4.460 0.000 0.000 0.279 219 C C 2.776 177.760 174.990 -0.010 0.000 1.305 219 C CA 1.110 60.186 59.018 0.097 0.000 1.757 219 C CB -1.348 26.480 27.740 0.147 0.000 1.962 219 C HN 0.728 nan 8.230 nan 0.000 0.499 220 R N -0.077 120.316 120.500 -0.178 0.000 2.073 220 R HA -0.128 4.212 4.340 0.000 0.000 0.234 220 R C 2.255 178.361 176.300 -0.323 0.000 1.134 220 R CA 1.548 57.461 56.100 -0.310 0.000 0.952 220 R CB -0.407 29.603 30.300 -0.484 0.000 0.850 220 R HN 0.602 nan 8.270 nan 0.000 0.433 221 H N 0.510 119.455 119.070 -0.209 0.000 2.357 221 H HA -0.083 4.473 4.556 0.000 0.000 0.301 221 H C 2.183 177.502 175.328 -0.016 0.000 1.082 221 H CA 1.588 57.560 56.048 -0.127 0.000 1.342 221 H CB -0.191 29.499 29.762 -0.119 0.000 1.389 221 H HN 0.247 nan 8.280 nan 0.000 0.511 222 L N -0.160 121.039 121.223 -0.041 0.000 2.131 222 L HA -0.077 4.263 4.340 0.000 0.000 0.210 222 L C 2.735 179.449 176.870 -0.260 0.000 1.092 222 L CA 1.008 55.638 54.840 -0.349 0.000 0.759 222 L CB -0.727 40.729 42.059 -1.004 0.000 0.903 222 L HN 0.295 nan 8.230 nan 0.000 0.435 223 G N -0.098 108.691 108.800 -0.018 0.000 2.408 223 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 223 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 223 G C 1.398 176.387 174.900 0.149 0.000 1.150 223 G CA 0.460 45.731 45.100 0.285 0.000 0.776 223 G HN 0.309 nan 8.290 nan 0.000 0.542 224 N N 0.095 118.776 118.700 -0.031 0.000 2.188 224 N HA -0.087 4.653 4.740 0.000 0.000 0.184 224 N C 1.839 177.259 175.510 -0.150 0.000 1.018 224 N CA 0.838 53.810 53.050 -0.129 0.000 0.858 224 N CB -0.314 38.037 38.487 -0.227 0.000 0.989 224 N HN 0.579 nan 8.380 nan 0.000 0.426 225 W N 1.579 122.836 121.300 -0.072 0.000 2.418 225 W HA 0.074 4.734 4.660 0.000 0.000 0.292 225 W C 2.496 178.992 176.519 -0.039 0.000 1.213 225 W CA 1.057 58.355 57.345 -0.077 0.000 1.283 225 W CB -0.388 28.983 29.460 -0.149 0.000 1.119 225 W HN 0.023 nan 8.180 nan 0.000 0.542 226 A N -0.136 122.805 122.820 0.203 0.000 1.908 226 A HA -0.181 4.139 4.320 0.000 0.000 0.218 226 A C 1.991 179.663 177.584 0.146 0.000 1.181 226 A CA 2.169 54.339 52.037 0.221 0.000 0.627 226 A CB -1.091 18.131 19.000 0.371 0.000 0.818 226 A HN 0.099 nan 8.150 nan 0.000 0.445 227 V N -0.357 119.629 119.914 0.120 0.000 2.270 227 V HA -0.192 3.928 4.120 0.000 0.000 0.245 227 V C 3.070 179.149 176.094 -0.025 0.000 1.043 227 V CA 1.866 64.181 62.300 0.025 0.000 1.014 227 V CB -1.198 30.644 31.823 0.031 0.000 0.645 227 V HN 0.610 nan 8.190 nan 0.000 0.447 228 A N -0.285 122.511 122.820 -0.039 0.000 1.940 228 A HA -0.155 4.165 4.320 0.000 0.000 0.219 228 A C 2.181 179.785 177.584 0.033 0.000 1.176 228 A CA 1.792 53.795 52.037 -0.055 0.000 0.631 228 A CB -0.519 18.366 19.000 -0.192 0.000 0.814 228 A HN 0.521 nan 8.150 nan 0.000 0.446 229 L N -1.173 120.109 121.223 0.098 0.000 2.179 229 L HA -0.089 4.251 4.340 0.000 0.000 0.208 229 L C 2.650 179.582 176.870 0.103 0.000 1.096 229 L CA 1.433 56.347 54.840 0.123 0.000 0.779 229 L CB -0.803 41.351 42.059 0.159 0.000 0.922 229 L HN 0.308 nan 8.230 nan 0.000 0.443 230 T N 0.168 114.774 114.554 0.086 0.000 2.777 230 T HA -0.130 4.220 4.350 0.000 0.000 0.266 230 T C 2.064 176.867 174.700 0.172 0.000 1.040 230 T CA 1.329 63.489 62.100 0.101 0.000 1.141 230 T CB -0.119 68.756 68.868 0.012 0.000 0.868 230 T HN 0.427 nan 8.240 nan 0.000 0.444 231 A N 1.294 124.178 122.820 0.106 0.000 1.877 231 A HA -0.011 4.309 4.320 0.000 0.000 0.216 231 A C 2.208 179.908 177.584 0.194 0.000 1.186 231 A CA 1.215 53.376 52.037 0.207 0.000 0.620 231 A CB -0.826 18.231 19.000 0.095 0.000 0.822 231 A HN 0.394 nan 8.150 nan 0.000 0.443 232 L N -0.777 120.519 121.223 0.122 0.000 2.131 232 L HA -0.082 4.258 4.340 0.000 0.000 0.210 232 L C 2.201 179.130 176.870 0.097 0.000 1.092 232 L CA 1.720 56.618 54.840 0.097 0.000 0.759 232 L CB -0.659 41.447 42.059 0.078 0.000 0.903 232 L HN 0.385 nan 8.230 nan 0.000 0.435 233 L N -0.241 121.051 121.223 0.115 0.000 2.046 233 L HA -0.112 4.228 4.340 0.000 0.000 0.208 233 L C 2.488 179.421 176.870 0.106 0.000 1.077 233 L CA 2.057 56.958 54.840 0.101 0.000 0.747 233 L CB -0.989 41.139 42.059 0.115 0.000 0.896 233 L HN 0.255 nan 8.230 nan 0.000 0.432 234 A N -0.833 122.085 122.820 0.163 0.000 1.933 234 A HA -0.208 4.112 4.320 0.000 0.000 0.218 234 A C 2.120 179.734 177.584 0.051 0.000 1.175 234 A CA 1.764 53.863 52.037 0.103 0.000 0.628 234 A CB -0.611 18.471 19.000 0.136 0.000 0.814 234 A HN 0.637 nan 8.150 nan 0.000 0.444 235 E N -1.120 119.124 120.200 0.073 0.000 2.347 235 E HA -0.116 4.234 4.350 0.000 0.000 0.196 235 E C 1.566 178.185 176.600 0.032 0.000 1.008 235 E CA 0.892 57.320 56.400 0.047 0.000 0.852 235 E CB -0.242 29.492 29.700 0.056 0.000 0.783 235 E HN 0.682 nan 8.360 nan 0.000 0.505 236 C N -0.054 119.266 119.300 0.034 0.000 2.735 236 C HA 0.176 4.636 4.460 0.000 0.000 0.271 236 C C 1.674 176.671 174.990 0.011 0.000 1.281 236 C CA -0.037 58.993 59.018 0.020 0.000 1.719 236 C CB -0.135 27.616 27.740 0.018 0.000 2.024 236 C HN 0.312 nan 8.230 nan 0.000 0.566 237 L N 0.011 121.242 121.223 0.012 0.000 3.202 237 L HA 0.285 4.625 4.340 0.000 0.000 0.278 237 L C 0.256 177.121 176.870 -0.009 0.000 1.268 237 L CA -0.090 54.751 54.840 0.002 0.000 1.034 237 L CB -0.292 41.773 42.059 0.009 0.000 1.407 237 L HN 0.234 nan 8.230 nan 0.000 0.581 238 R N 0.493 120.987 120.500 -0.011 0.000 3.333 238 R HA -0.157 4.183 4.340 0.000 0.000 0.256 238 R C 0.703 176.973 176.300 -0.049 0.000 1.010 238 R CA 0.432 56.518 56.100 -0.023 0.000 0.680 238 R CB -1.968 28.320 30.300 -0.019 0.000 1.102 238 R HN 0.506 nan 8.270 nan 0.000 0.440 239 G N 0.672 109.430 108.800 -0.069 0.000 2.544 239 G HA2 0.185 4.145 3.960 0.000 0.000 0.242 239 G HA3 0.185 4.145 3.960 0.000 0.000 0.242 239 G C 0.013 174.778 174.900 -0.225 0.000 1.247 239 G CA -0.588 44.427 45.100 -0.142 0.000 0.840 239 G HN 0.250 nan 8.290 nan 0.000 0.578 240 R N 0.757 121.092 120.500 -0.275 0.000 2.202 240 R HA 0.217 4.558 4.340 0.000 0.000 0.334 240 R C 1.581 177.580 176.300 -0.503 0.000 1.036 240 R CA 0.201 56.133 56.100 -0.279 0.000 0.878 240 R CB 0.830 31.024 30.300 -0.176 0.000 1.067 240 R HN 0.713 nan 8.270 nan 0.000 0.457 241 T N -1.079 113.219 114.554 -0.426 0.000 3.035 241 T HA -0.142 4.208 4.350 0.000 0.000 0.268 241 T C 1.418 175.957 174.700 -0.268 0.000 1.109 241 T CA 0.956 62.774 62.100 -0.470 0.000 1.119 241 T CB -0.039 68.710 68.868 -0.198 0.000 0.900 241 T HN 0.732 nan 8.240 nan 0.000 0.503 242 E N 1.791 121.880 120.200 -0.185 0.000 2.265 242 E HA -0.024 4.326 4.350 0.000 0.000 0.196 242 E C 2.219 178.786 176.600 -0.055 0.000 0.996 242 E CA 0.910 57.261 56.400 -0.082 0.000 0.832 242 E CB -0.568 29.099 29.700 -0.054 0.000 0.756 242 E HN 0.616 nan 8.360 nan 0.000 0.491 243 A N 0.806 123.542 122.820 -0.140 0.000 2.121 243 A HA -0.085 4.235 4.320 0.000 0.000 0.218 243 A C 0.978 178.691 177.584 0.215 0.000 1.154 243 A CA 0.659 52.682 52.037 -0.024 0.000 0.679 243 A CB -0.595 18.353 19.000 -0.086 0.000 0.795 243 A HN 0.489 nan 8.150 nan 0.000 0.458 244 W N -0.271 121.034 121.300 0.008 0.000 3.239 244 W HA 0.602 5.262 4.660 0.000 0.000 0.368 244 W C 0.804 177.328 176.519 0.009 0.000 1.154 244 W CA -1.102 56.249 57.345 0.010 0.000 1.860 244 W CB -1.356 28.112 29.460 0.014 0.000 1.094 244 W HN 0.344 nan 8.180 nan 0.000 0.643 245 A N 0.868 123.799 122.820 0.186 0.000 2.498 245 A HA 0.420 4.740 4.320 0.000 0.000 0.239 245 A C 1.687 179.326 177.584 0.092 0.000 1.068 245 A CA 0.717 52.819 52.037 0.109 0.000 0.766 245 A CB 0.572 19.608 19.000 0.060 0.000 1.003 245 A HN 0.261 nan 8.150 nan 0.000 0.497 246 A N 2.463 125.325 122.820 0.070 0.000 1.972 246 A HA 0.120 4.440 4.320 0.000 0.000 0.219 246 A C 2.331 179.938 177.584 0.039 0.000 1.169 246 A CA 2.207 54.275 52.037 0.051 0.000 0.635 246 A CB -0.886 18.138 19.000 0.039 0.000 0.810 246 A HN 1.738 nan 8.150 nan 0.000 0.446 247 A N -0.284 122.556 122.820 0.034 0.000 1.978 247 A HA -0.055 4.265 4.320 0.000 0.000 0.220 247 A C 2.121 179.719 177.584 0.024 0.000 1.170 247 A CA 1.482 53.533 52.037 0.023 0.000 0.636 247 A CB -0.514 18.498 19.000 0.019 0.000 0.810 247 A HN 0.493 nan 8.150 nan 0.000 0.448 248 L N -0.620 120.624 121.223 0.036 0.000 2.109 248 L HA -0.127 4.213 4.340 0.000 0.000 0.207 248 L C 2.810 179.699 176.870 0.032 0.000 1.086 248 L CA 1.283 56.144 54.840 0.035 0.000 0.760 248 L CB -0.361 41.729 42.059 0.052 0.000 0.910 248 L HN 0.329 nan 8.230 nan 0.000 0.437 249 S N -0.281 115.442 115.700 0.038 0.000 2.368 249 S HA -0.182 4.288 4.470 0.000 0.000 0.225 249 S C 1.499 176.107 174.600 0.013 0.000 1.030 249 S CA 1.337 59.556 58.200 0.033 0.000 0.999 249 S CB -0.290 62.933 63.200 0.039 0.000 0.844 249 S HN 0.447 nan 8.310 nan 0.000 0.459 250 D N 1.455 121.861 120.400 0.010 0.000 2.178 250 D HA -0.026 4.614 4.640 0.000 0.000 0.201 250 D C 1.757 178.048 176.300 -0.015 0.000 0.980 250 D CA 0.701 54.699 54.000 -0.003 0.000 0.842 250 D CB -0.268 40.532 40.800 0.001 0.000 0.948 250 D HN 0.331 nan 8.370 nan 0.000 0.472 251 L N -0.496 120.721 121.223 -0.009 0.000 2.291 251 L HA -0.001 4.339 4.340 0.000 0.000 0.214 251 L C 1.582 178.431 176.870 -0.034 0.000 1.120 251 L CA 0.571 55.401 54.840 -0.017 0.000 0.799 251 L CB 0.143 42.198 42.059 -0.006 0.000 0.925 251 L HN -0.172 nan 8.230 nan 0.000 0.446 252 R N 0.724 121.202 120.500 -0.037 0.000 2.644 252 R HA 0.190 4.530 4.340 0.000 0.000 0.271 252 R C -2.232 174.003 176.300 -0.108 0.000 1.687 252 R CA -1.386 54.669 56.100 -0.076 0.000 1.655 252 R CB 0.896 31.193 30.300 -0.006 0.000 1.285 252 R HN -0.149 nan 8.270 nan 0.000 0.643 253 P HA -0.076 nan 4.420 nan 0.000 0.272 253 P C -0.713 176.513 177.300 -0.123 0.000 1.542 253 P CA 0.250 63.284 63.100 -0.110 0.000 0.846 253 P CB -0.341 31.306 31.700 -0.088 0.000 1.782 254 H N 0.870 119.942 119.070 0.003 0.000 2.767 254 H HA 0.108 4.664 4.556 0.000 0.000 0.316 254 H C -1.340 174.002 175.328 0.022 0.000 1.059 254 H CA -1.587 54.465 56.048 0.007 0.000 1.461 254 H CB 0.644 30.406 29.762 -0.001 0.000 1.475 254 H HN 0.086 nan 8.280 nan 0.000 0.531 255 P HA -0.166 nan 4.420 nan 0.000 0.215 255 P C 1.661 179.035 177.300 0.123 0.000 1.157 255 P CA 1.712 64.874 63.100 0.103 0.000 0.874 255 P CB 0.102 31.856 31.700 0.090 0.000 0.790 256 G N -0.492 108.399 108.800 0.152 0.000 2.422 256 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 256 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 256 G C 1.676 176.684 174.900 0.179 0.000 1.146 256 G CA 0.716 45.940 45.100 0.206 0.000 0.769 256 G HN 0.328 nan 8.290 nan 0.000 0.547 257 Q N 0.065 119.933 119.800 0.115 0.000 2.083 257 Q HA -0.054 4.286 4.340 0.000 0.000 0.198 257 Q C 2.471 178.512 176.000 0.068 0.000 0.969 257 Q CA 1.477 57.320 55.803 0.067 0.000 0.838 257 Q CB -0.188 28.601 28.738 0.085 0.000 0.900 257 Q HN 0.509 nan 8.270 nan 0.000 0.436 258 K N 0.193 120.641 120.400 0.079 0.000 2.057 258 K HA -0.230 4.090 4.320 0.000 0.000 0.207 258 K C 1.670 178.302 176.600 0.054 0.000 1.049 258 K CA 1.884 58.205 56.287 0.057 0.000 0.931 258 K CB -0.166 32.363 32.500 0.049 0.000 0.714 258 K HN 0.185 nan 8.250 nan 0.000 0.440 259 D N -0.111 120.335 120.400 0.077 0.000 2.097 259 D HA -0.112 4.528 4.640 0.000 0.000 0.195 259 D C 1.707 178.060 176.300 0.088 0.000 0.989 259 D CA 1.534 55.574 54.000 0.068 0.000 0.827 259 D CB -0.068 40.773 40.800 0.069 0.000 0.966 259 D HN 0.329 nan 8.370 nan 0.000 0.456 260 A N 0.546 123.465 122.820 0.165 0.000 1.877 260 A HA 0.002 4.322 4.320 0.000 0.000 0.216 260 A C 2.396 179.948 177.584 -0.053 0.000 1.186 260 A CA 2.408 54.527 52.037 0.137 0.000 0.620 260 A CB -1.178 17.849 19.000 0.045 0.000 0.822 260 A HN 0.327 nan 8.150 nan 0.000 0.443 261 A N -0.208 122.578 122.820 -0.056 0.000 1.902 261 A HA 0.152 4.472 4.320 0.000 0.000 0.217 261 A C 2.521 180.086 177.584 -0.031 0.000 1.181 261 A CA 2.186 54.175 52.037 -0.079 0.000 0.623 261 A CB -1.057 17.953 19.000 0.018 0.000 0.818 261 A HN 1.093 nan 8.150 nan 0.000 0.443 262 A N -0.246 122.575 122.820 0.001 0.000 1.902 262 A HA -0.170 4.150 4.320 0.000 0.000 0.217 262 A C 2.239 179.817 177.584 -0.010 0.000 1.181 262 A CA 1.657 53.700 52.037 0.010 0.000 0.623 262 A CB -0.437 18.569 19.000 0.011 0.000 0.818 262 A HN 0.547 nan 8.150 nan 0.000 0.443 263 R N -0.682 119.799 120.500 -0.032 0.000 2.092 263 R HA 0.044 4.384 4.340 0.000 0.000 0.231 263 R C 2.018 178.270 176.300 -0.080 0.000 1.119 263 R CA 1.208 57.278 56.100 -0.050 0.000 0.970 263 R CB -0.417 29.855 30.300 -0.045 0.000 0.864 263 R HN 0.505 nan 8.270 nan 0.000 0.440 264 L N 0.126 121.251 121.223 -0.163 0.000 2.056 264 L HA -0.151 4.189 4.340 0.000 0.000 0.207 264 L C 2.525 179.389 176.870 -0.010 0.000 1.078 264 L CA 1.380 56.044 54.840 -0.294 0.000 0.749 264 L CB -0.320 41.200 42.059 -0.899 0.000 0.901 264 L HN 0.138 nan 8.230 nan 0.000 0.433 265 R N -0.108 120.443 120.500 0.084 0.000 2.091 265 R HA -0.161 4.179 4.340 0.000 0.000 0.238 265 R C 2.397 178.758 176.300 0.102 0.000 1.136 265 R CA 1.393 57.599 56.100 0.177 0.000 0.959 265 R CB -0.559 29.824 30.300 0.139 0.000 0.856 265 R HN 0.364 nan 8.270 nan 0.000 0.437 266 A N 1.356 124.203 122.820 0.045 0.000 1.902 266 A HA -0.152 4.168 4.320 0.000 0.000 0.217 266 A C 2.059 179.657 177.584 0.023 0.000 1.181 266 A CA 1.123 53.174 52.037 0.023 0.000 0.623 266 A CB -0.278 18.719 19.000 -0.004 0.000 0.818 266 A HN 0.111 nan 8.150 nan 0.000 0.443 267 R N -0.214 120.298 120.500 0.019 0.000 2.096 267 R HA -0.111 4.229 4.340 0.000 0.000 0.235 267 R C 1.899 178.235 176.300 0.059 0.000 1.127 267 R CA 1.730 57.842 56.100 0.019 0.000 0.968 267 R CB -1.289 29.011 30.300 -0.000 0.000 0.861 267 R HN 0.677 nan 8.270 nan 0.000 0.440 268 V N -0.948 119.033 119.914 0.112 0.000 3.596 268 V HA 0.116 4.236 4.120 0.000 0.000 0.289 268 V C 0.200 176.340 176.094 0.077 0.000 1.336 268 V CA -0.590 61.781 62.300 0.118 0.000 1.137 268 V CB -0.489 31.449 31.823 0.193 0.000 0.966 268 V HN -0.097 nan 8.190 nan 0.000 0.428 269 D N 1.514 121.950 120.400 0.060 0.000 2.487 269 D HA 0.410 5.050 4.640 0.000 0.000 0.243 269 D C 1.450 177.766 176.300 0.028 0.000 1.154 269 D CA 1.968 55.991 54.000 0.039 0.000 0.876 269 D CB 0.530 41.348 40.800 0.029 0.000 1.161 269 D HN 0.569 nan 8.370 nan 0.000 0.478 270 G N 2.389 111.201 108.800 0.020 0.000 2.195 270 G HA2 -0.258 3.702 3.960 0.000 0.000 0.246 270 G HA3 -0.258 3.702 3.960 0.000 0.000 0.246 270 G C 0.474 175.384 174.900 0.017 0.000 0.984 270 G CA 0.318 45.427 45.100 0.015 0.000 0.633 270 G HN 0.785 nan 8.290 nan 0.000 0.525 271 S N 0.200 115.914 115.700 0.023 0.000 2.565 271 S HA 0.658 5.128 4.470 0.000 0.000 0.276 271 S C 1.208 175.817 174.600 0.015 0.000 1.326 271 S CA 0.838 59.052 58.200 0.024 0.000 1.045 271 S CB 1.294 64.516 63.200 0.035 0.000 0.918 271 S HN 1.608 nan 8.310 nan 0.000 0.505 272 A N 5.242 128.071 122.820 0.015 0.000 2.470 272 A HA 0.342 4.662 4.320 0.000 0.000 0.251 272 A C 1.693 179.287 177.584 0.016 0.000 1.245 272 A CA -0.357 51.688 52.037 0.014 0.000 0.932 272 A CB 0.094 19.102 19.000 0.014 0.000 1.037 272 A HN 0.722 nan 8.150 nan 0.000 0.522 273 R N -0.187 120.322 120.500 0.016 0.000 2.265 273 R HA 0.112 4.452 4.340 0.000 0.000 0.194 273 R C 0.781 177.084 176.300 0.006 0.000 0.931 273 R CA 0.928 57.036 56.100 0.013 0.000 1.032 273 R CB -0.325 29.986 30.300 0.017 0.000 0.980 273 R HN 0.491 nan 8.270 nan 0.000 0.497 274 V N -1.057 118.856 119.914 -0.001 0.000 2.997 274 V HA 0.428 4.548 4.120 0.000 0.000 0.311 274 V C 0.499 176.581 176.094 -0.020 0.000 1.066 274 V CA -0.907 61.375 62.300 -0.029 0.000 1.039 274 V CB 1.913 33.706 31.823 -0.050 0.000 1.081 274 V HN -0.257 nan 8.190 nan 0.000 0.467 275 V N 4.050 123.941 119.914 -0.037 0.000 2.364 275 V HA 0.446 4.566 4.120 0.000 0.000 0.272 275 V C 1.028 177.112 176.094 -0.017 0.000 1.036 275 V CA -0.251 62.063 62.300 0.024 0.000 0.880 275 V CB 0.646 32.479 31.823 0.015 0.000 0.991 275 V HN 0.938 nan 8.190 nan 0.000 0.460 276 R N 1.602 122.086 120.500 -0.028 0.000 2.362 276 R HA 0.193 4.533 4.340 0.000 0.000 0.227 276 R C -0.182 176.020 176.300 -0.163 0.000 0.905 276 R CA -0.210 55.811 56.100 -0.132 0.000 1.067 276 R CB 0.205 30.396 30.300 -0.182 0.000 1.078 276 R HN 0.741 nan 8.270 nan 0.000 0.516 277 H N 0.126 119.170 119.070 -0.043 0.000 2.764 277 H HA 0.081 4.637 4.556 0.000 0.000 0.341 277 H C -0.148 175.157 175.328 -0.037 0.000 1.072 277 H CA -0.142 55.886 56.048 -0.033 0.000 1.444 277 H CB 0.832 30.577 29.762 -0.029 0.000 1.458 277 H HN -0.215 nan 8.280 nan 0.000 0.572 278 V N 5.895 125.848 119.914 0.066 0.000 2.427 278 V HA -0.038 4.082 4.120 0.000 0.000 0.268 278 V C 1.872 177.990 176.094 0.041 0.000 1.046 278 V CA -0.013 62.305 62.300 0.030 0.000 0.970 278 V CB -0.235 31.596 31.823 0.013 0.000 1.001 278 V HN 0.830 nan 8.190 nan 0.000 0.476 279 I N 3.252 123.837 120.570 0.025 0.000 2.335 279 I HA -0.142 4.028 4.170 0.000 0.000 0.251 279 I C 2.110 178.234 176.117 0.011 0.000 1.129 279 I CA 1.955 63.265 61.300 0.015 0.000 1.402 279 I CB -0.282 37.720 38.000 0.003 0.000 1.069 279 I HN 0.554 nan 8.210 nan 0.000 0.424 280 A N 0.924 123.750 122.820 0.010 0.000 2.172 280 A HA -0.099 4.222 4.320 0.000 0.000 0.216 280 A C 2.141 179.731 177.584 0.010 0.000 1.154 280 A CA 1.129 53.171 52.037 0.008 0.000 0.701 280 A CB -0.524 18.481 19.000 0.007 0.000 0.789 280 A HN 0.531 nan 8.150 nan 0.000 0.465 281 E N -0.008 120.202 120.200 0.016 0.000 2.208 281 E HA -0.093 4.257 4.350 0.000 0.000 0.193 281 E C 1.128 177.736 176.600 0.014 0.000 0.988 281 E CA 0.156 56.567 56.400 0.018 0.000 0.828 281 E CB -0.200 29.518 29.700 0.029 0.000 0.763 281 E HN 0.621 nan 8.360 nan 0.000 0.478 282 R N 1.757 122.264 120.500 0.011 0.000 2.449 282 R HA 0.055 4.395 4.340 0.000 0.000 0.296 282 R C -0.362 175.938 176.300 0.000 0.000 1.047 282 R CA 0.084 56.185 56.100 0.002 0.000 1.018 282 R CB 0.377 30.674 30.300 -0.006 0.000 0.962 282 R HN -0.124 nan 8.270 nan 0.000 0.428 283 R N 5.251 125.750 120.500 -0.001 0.000 2.255 283 R HA 0.282 4.622 4.340 0.000 0.000 0.326 283 R C -0.439 175.859 176.300 -0.004 0.000 0.986 283 R CA -0.555 55.544 56.100 -0.002 0.000 0.847 283 R CB 1.121 31.421 30.300 -0.000 0.000 1.111 283 R HN 0.468 nan 8.270 nan 0.000 0.452 284 L N 2.963 124.183 121.223 -0.004 0.000 2.375 284 L HA 0.321 4.661 4.340 0.000 0.000 0.271 284 L C 0.214 177.081 176.870 -0.005 0.000 1.107 284 L CA -0.448 54.388 54.840 -0.006 0.000 0.806 284 L CB 0.793 42.849 42.059 -0.006 0.000 1.146 284 L HN 0.680 nan 8.230 nan 0.000 0.447 285 D N 0.823 121.220 120.400 -0.006 0.000 2.614 285 D HA 0.431 5.071 4.640 0.000 0.000 0.264 285 D C 0.539 176.836 176.300 -0.005 0.000 1.092 285 D CA -0.321 53.676 54.000 -0.005 0.000 1.071 285 D CB 1.240 42.037 40.800 -0.005 0.000 1.443 285 D HN 0.411 nan 8.370 nan 0.000 0.528 286 A N -0.063 122.754 122.820 -0.005 0.000 1.917 286 A HA -0.007 4.313 4.320 0.000 0.000 0.219 286 A C 2.030 179.611 177.584 -0.006 0.000 1.182 286 A CA 2.332 54.366 52.037 -0.005 0.000 0.633 286 A CB -1.682 17.316 19.000 -0.004 0.000 0.819 286 A HN 0.715 nan 8.150 nan 0.000 0.448 287 G N -1.087 107.709 108.800 -0.006 0.000 2.559 287 G HA2 -0.107 3.854 3.960 0.000 0.000 0.216 287 G HA3 -0.107 3.854 3.960 0.000 0.000 0.216 287 G C 0.924 175.819 174.900 -0.009 0.000 1.126 287 G CA 0.994 46.089 45.100 -0.007 0.000 0.778 287 G HN 0.527 nan 8.290 nan 0.000 0.543 288 D N 0.247 120.641 120.400 -0.009 0.000 2.333 288 D HA 0.023 4.663 4.640 0.000 0.000 0.208 288 D C 0.914 177.208 176.300 -0.009 0.000 0.984 288 D CA -0.039 53.955 54.000 -0.010 0.000 0.873 288 D CB 0.467 41.260 40.800 -0.011 0.000 0.935 288 D HN 0.135 nan 8.370 nan 0.000 0.521 289 I N 1.634 122.199 120.570 -0.008 0.000 2.581 289 I HA 0.296 4.466 4.170 0.000 0.000 0.285 289 I C 1.322 177.435 176.117 -0.007 0.000 1.129 289 I CA 0.709 62.005 61.300 -0.007 0.000 1.397 289 I CB 0.023 38.020 38.000 -0.005 0.000 1.399 289 I HN -0.031 nan 8.210 nan 0.000 0.537 290 G N 5.370 114.165 108.800 -0.008 0.000 2.344 290 G HA2 0.179 4.139 3.960 0.000 0.000 0.282 290 G HA3 0.179 4.139 3.960 0.000 0.000 0.282 290 G C -1.182 173.713 174.900 -0.009 0.000 1.281 290 G CA -0.676 44.419 45.100 -0.008 0.000 0.877 290 G HN 0.366 nan 8.290 nan 0.000 0.494 291 T N 1.843 116.392 114.554 -0.009 0.000 2.749 291 T HA 0.560 4.910 4.350 0.000 0.000 0.287 291 T C -0.144 174.549 174.700 -0.012 0.000 0.970 291 T CA -0.219 61.875 62.100 -0.010 0.000 0.980 291 T CB 1.360 70.222 68.868 -0.009 0.000 0.924 291 T HN 0.438 nan 8.240 nan 0.000 0.456 292 E N 3.090 123.282 120.200 -0.013 0.000 2.283 292 E HA 0.210 4.560 4.350 0.000 0.000 0.267 292 E C -1.343 175.247 176.600 -0.016 0.000 1.045 292 E CA -2.075 54.315 56.400 -0.016 0.000 0.884 292 E CB 0.798 30.488 29.700 -0.018 0.000 1.106 292 E HN 0.329 nan 8.360 nan 0.000 0.408 293 P HA -0.141 nan 4.420 nan 0.000 0.216 293 P C -0.647 176.642 177.300 -0.018 0.000 1.150 293 P CA 1.421 64.510 63.100 -0.018 0.000 0.837 293 P CB 0.310 31.999 31.700 -0.019 0.000 0.786 294 E N -1.908 118.280 120.200 -0.020 0.000 2.408 294 E HA 0.606 4.956 4.350 0.000 0.000 0.275 294 E C -1.032 175.558 176.600 -0.018 0.000 0.935 294 E CA -1.147 55.242 56.400 -0.019 0.000 0.775 294 E CB 1.821 31.508 29.700 -0.021 0.000 1.277 294 E HN -0.118 nan 8.360 nan 0.000 0.455 295 A N 0.528 123.339 122.820 -0.015 0.000 2.366 295 A HA 0.432 4.752 4.320 0.000 0.000 0.249 295 A C 1.174 178.751 177.584 -0.011 0.000 1.084 295 A CA 0.376 52.407 52.037 -0.011 0.000 0.794 295 A CB 0.028 19.024 19.000 -0.006 0.000 1.034 295 A HN 0.786 nan 8.150 nan 0.000 0.491 296 G N -0.540 108.255 108.800 -0.008 0.000 2.848 296 G HA2 0.288 4.248 3.960 0.000 0.000 0.208 296 G HA3 0.288 4.248 3.960 0.000 0.000 0.208 296 G C 0.436 175.331 174.900 -0.008 0.000 1.152 296 G CA 0.339 45.433 45.100 -0.010 0.000 0.789 296 G HN 0.714 nan 8.290 nan 0.000 0.531 297 Q N 0.075 119.875 119.800 0.001 0.000 2.389 297 Q HA 0.293 4.633 4.340 0.000 0.000 0.277 297 Q C -1.464 174.545 176.000 0.016 0.000 1.082 297 Q CA -1.030 54.779 55.803 0.009 0.000 0.810 297 Q CB 2.093 30.852 28.738 0.036 0.000 1.374 297 Q HN 0.024 nan 8.270 nan 0.000 0.422 298 D N 0.756 121.165 120.400 0.015 0.000 2.377 298 D HA 0.351 4.991 4.640 0.000 0.000 0.245 298 D C -0.166 176.186 176.300 0.086 0.000 1.196 298 D CA -0.047 53.970 54.000 0.028 0.000 0.962 298 D CB 0.827 41.633 40.800 0.010 0.000 1.127 298 D HN 0.621 nan 8.370 nan 0.000 0.471 299 A N 0.547 123.408 122.820 0.068 0.000 2.386 299 A HA 0.013 4.333 4.320 0.000 0.000 0.246 299 A C 0.654 178.371 177.584 0.222 0.000 1.089 299 A CA -0.130 51.947 52.037 0.065 0.000 0.790 299 A CB -0.073 18.930 19.000 0.005 0.000 1.042 299 A HN 0.537 nan 8.150 nan 0.000 0.497 300 Y N 0.988 121.307 120.300 0.031 0.000 2.256 300 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 300 Y C 2.903 178.839 175.900 0.059 0.000 1.155 300 Y CA 1.580 59.705 58.100 0.042 0.000 1.203 300 Y CB -1.382 37.093 38.460 0.026 0.000 0.980 300 Y HN 0.753 nan 8.280 nan 0.000 0.530 301 S N -0.997 114.831 115.700 0.213 0.000 2.500 301 S HA -0.109 4.361 4.470 0.000 0.000 0.239 301 S C 1.801 176.509 174.600 0.179 0.000 0.989 301 S CA 1.109 59.401 58.200 0.154 0.000 0.951 301 S CB -0.555 62.710 63.200 0.108 0.000 0.759 301 S HN 0.458 nan 8.310 nan 0.000 0.523 302 L N -0.279 121.072 121.223 0.212 0.000 2.614 302 L HA 0.354 4.694 4.340 0.000 0.000 0.185 302 L C 2.744 179.842 176.870 0.379 0.000 1.098 302 L CA 0.233 55.253 54.840 0.299 0.000 0.852 302 L CB -0.259 41.915 42.059 0.192 0.000 1.213 302 L HN 0.163 nan 8.230 nan 0.000 0.491 303 R N 0.017 120.659 120.500 0.236 0.000 2.105 303 R HA -0.155 4.185 4.340 0.000 0.000 0.239 303 R C 1.519 177.936 176.300 0.195 0.000 1.135 303 R CA 1.879 58.096 56.100 0.194 0.000 0.967 303 R CB -0.223 30.156 30.300 0.132 0.000 0.861 303 R HN 0.401 nan 8.270 nan 0.000 0.442 304 C N 0.299 119.672 119.300 0.122 0.000 2.688 304 C HA 0.440 4.900 4.460 0.000 0.000 0.297 304 C C 2.100 177.107 174.990 0.027 0.000 1.308 304 C CA -0.404 58.620 59.018 0.011 0.000 1.726 304 C CB -0.464 27.186 27.740 -0.149 0.000 1.982 304 C HN 0.623 nan 8.230 nan 0.000 0.604 305 A N 2.696 125.575 122.820 0.098 0.000 1.908 305 A HA -0.104 4.216 4.320 0.000 0.000 0.218 305 A C 0.035 177.536 177.584 -0.137 0.000 1.181 305 A CA 1.802 53.827 52.037 -0.020 0.000 0.627 305 A CB -1.564 17.417 19.000 -0.031 0.000 0.818 305 A HN 0.418 nan 8.150 nan 0.000 0.445 306 P HA -0.152 nan 4.420 nan 0.000 0.216 306 P C 1.255 178.486 177.300 -0.115 0.000 1.150 306 P CA 1.508 64.522 63.100 -0.143 0.000 0.837 306 P CB -0.046 31.617 31.700 -0.062 0.000 0.786 307 Q N -1.060 118.691 119.800 -0.083 0.000 2.083 307 Q HA -0.065 4.275 4.340 0.000 0.000 0.198 307 Q C 2.119 178.034 176.000 -0.142 0.000 0.969 307 Q CA 1.161 56.909 55.803 -0.092 0.000 0.838 307 Q CB -1.265 27.427 28.738 -0.076 0.000 0.900 307 Q HN 0.094 nan 8.270 nan 0.000 0.436 308 V N 0.268 120.095 119.914 -0.145 0.000 2.283 308 V HA -0.188 3.932 4.120 0.000 0.000 0.243 308 V C 2.071 178.006 176.094 -0.264 0.000 1.039 308 V CA 1.389 63.589 62.300 -0.166 0.000 1.016 308 V CB -0.565 31.189 31.823 -0.115 0.000 0.650 308 V HN 0.299 nan 8.190 nan 0.000 0.449 309 L N 0.594 121.615 121.223 -0.337 0.000 2.046 309 L HA -0.104 4.236 4.340 0.000 0.000 0.208 309 L C 2.671 179.008 176.870 -0.888 0.000 1.077 309 L CA 1.811 56.257 54.840 -0.657 0.000 0.747 309 L CB -1.232 40.440 42.059 -0.646 0.000 0.896 309 L HN 0.488 nan 8.230 nan 0.000 0.432 310 G N -0.367 108.146 108.800 -0.479 0.000 2.442 310 G HA2 -0.263 3.697 3.960 0.000 0.000 0.219 310 G HA3 -0.263 3.697 3.960 0.000 0.000 0.219 310 G C 1.755 176.554 174.900 -0.169 0.000 1.141 310 G CA 0.856 45.813 45.100 -0.240 0.000 0.763 310 G HN 0.481 nan 8.290 nan 0.000 0.554 311 A N 0.724 123.417 122.820 -0.211 0.000 1.930 311 A HA 0.218 4.538 4.320 0.000 0.000 0.217 311 A C 2.676 180.187 177.584 -0.123 0.000 1.175 311 A CA 1.942 53.873 52.037 -0.176 0.000 0.627 311 A CB -0.880 18.007 19.000 -0.188 0.000 0.815 311 A HN 0.493 nan 8.150 nan 0.000 0.443 312 G N -1.017 107.668 108.800 -0.191 0.000 2.402 312 G HA2 -0.101 3.859 3.960 0.000 0.000 0.216 312 G HA3 -0.101 3.859 3.960 0.000 0.000 0.216 312 G C 1.272 176.230 174.900 0.096 0.000 1.162 312 G CA 1.016 46.047 45.100 -0.115 0.000 0.777 312 G HN 0.377 nan 8.290 nan 0.000 0.539 313 F N 1.705 121.659 119.950 0.006 0.000 2.186 313 F HA 0.044 4.571 4.527 0.000 0.000 0.299 313 F C 2.286 178.111 175.800 0.041 0.000 1.090 313 F CA 0.364 58.381 58.000 0.027 0.000 1.307 313 F CB -0.590 38.420 39.000 0.017 0.000 1.019 313 F HN 0.111 nan 8.300 nan 0.000 0.489 314 D N -0.612 119.912 120.400 0.207 0.000 2.219 314 D HA -0.096 4.544 4.640 0.000 0.000 0.205 314 D C 2.209 178.615 176.300 0.177 0.000 0.970 314 D CA 1.338 55.429 54.000 0.150 0.000 0.851 314 D CB -0.340 40.499 40.800 0.064 0.000 0.943 314 D HN 0.200 nan 8.370 nan 0.000 0.488 315 T N 1.161 115.810 114.554 0.159 0.000 2.777 315 T HA -0.110 4.240 4.350 0.000 0.000 0.266 315 T C 1.896 176.759 174.700 0.272 0.000 1.040 315 T CA 0.357 62.589 62.100 0.220 0.000 1.141 315 T CB -0.204 68.744 68.868 0.134 0.000 0.868 315 T HN 0.039 nan 8.240 nan 0.000 0.444 316 L N 1.557 122.902 121.223 0.204 0.000 2.083 316 L HA 0.088 4.428 4.340 0.000 0.000 0.209 316 L C 2.556 179.548 176.870 0.205 0.000 1.083 316 L CA 1.732 56.672 54.840 0.167 0.000 0.752 316 L CB -1.022 41.126 42.059 0.147 0.000 0.899 316 L HN 0.218 nan 8.230 nan 0.000 0.433 317 A N -1.248 121.695 122.820 0.204 0.000 1.902 317 A HA -0.275 4.045 4.320 0.000 0.000 0.217 317 A C 2.126 179.852 177.584 0.237 0.000 1.181 317 A CA 1.710 53.856 52.037 0.182 0.000 0.623 317 A CB -1.422 17.675 19.000 0.162 0.000 0.818 317 A HN 0.734 nan 8.150 nan 0.000 0.443 318 W N 0.370 121.730 121.300 0.100 0.000 2.379 318 W HA -0.183 4.477 4.660 0.000 0.000 0.307 318 W C 2.253 178.841 176.519 0.114 0.000 1.200 318 W CA 1.895 59.294 57.345 0.090 0.000 1.297 318 W CB -0.745 28.762 29.460 0.077 0.000 1.140 318 W HN 0.628 nan 8.180 nan 0.000 0.507 319 H N 0.113 119.132 119.070 -0.085 0.000 2.319 319 H HA -0.173 4.383 4.556 0.000 0.000 0.297 319 H C 1.354 176.574 175.328 -0.179 0.000 1.097 319 H CA 2.404 58.298 56.048 -0.256 0.000 1.285 319 H CB -0.507 29.212 29.762 -0.071 0.000 1.368 319 H HN 0.060 nan 8.280 nan 0.000 0.495 320 D N 0.198 120.646 120.400 0.079 0.000 2.178 320 D HA -0.068 4.572 4.640 0.000 0.000 0.202 320 D C 2.596 178.866 176.300 -0.051 0.000 0.974 320 D CA 0.555 54.571 54.000 0.027 0.000 0.841 320 D CB -0.204 40.657 40.800 0.102 0.000 0.953 320 D HN 0.377 nan 8.370 nan 0.000 0.478 321 R N 0.249 120.728 120.500 -0.035 0.000 2.073 321 R HA -0.055 4.285 4.340 0.000 0.000 0.234 321 R C 2.304 178.547 176.300 -0.095 0.000 1.134 321 R CA 0.753 56.841 56.100 -0.020 0.000 0.952 321 R CB -0.410 29.925 30.300 0.059 0.000 0.850 321 R HN 0.099 nan 8.270 nan 0.000 0.433 322 V N 1.357 121.135 119.914 -0.226 0.000 2.358 322 V HA -0.213 3.907 4.120 0.000 0.000 0.246 322 V C 2.198 178.149 176.094 -0.240 0.000 1.047 322 V CA 1.347 63.493 62.300 -0.257 0.000 1.035 322 V CB -0.411 31.143 31.823 -0.448 0.000 0.658 322 V HN 0.235 nan 8.190 nan 0.000 0.452 323 L N 0.002 121.043 121.223 -0.305 0.000 2.083 323 L HA -0.127 4.213 4.340 0.000 0.000 0.209 323 L C 2.421 179.204 176.870 -0.145 0.000 1.083 323 L CA 2.302 56.987 54.840 -0.259 0.000 0.752 323 L CB -0.954 40.898 42.059 -0.346 0.000 0.899 323 L HN 0.325 nan 8.230 nan 0.000 0.433 324 T N -0.121 114.373 114.554 -0.100 0.000 2.746 324 T HA -0.150 4.200 4.350 0.000 0.000 0.267 324 T C 1.961 176.643 174.700 -0.031 0.000 1.039 324 T CA 1.979 64.055 62.100 -0.040 0.000 1.142 324 T CB -0.280 68.606 68.868 0.031 0.000 0.866 324 T HN 0.321 nan 8.240 nan 0.000 0.444 325 I N 0.658 121.198 120.570 -0.050 0.000 2.202 325 I HA -0.140 4.030 4.170 0.000 0.000 0.242 325 I C 2.725 178.789 176.117 -0.088 0.000 1.091 325 I CA 1.276 62.543 61.300 -0.055 0.000 1.368 325 I CB -0.307 37.639 38.000 -0.090 0.000 1.058 325 I HN 0.202 nan 8.210 nan 0.000 0.410 326 E N 1.305 121.432 120.200 -0.122 0.000 2.051 326 E HA -0.260 4.090 4.350 0.000 0.000 0.192 326 E C 2.031 178.578 176.600 -0.087 0.000 0.991 326 E CA 1.313 57.643 56.400 -0.117 0.000 0.799 326 E CB -0.288 29.338 29.700 -0.123 0.000 0.748 326 E HN 0.302 nan 8.360 nan 0.000 0.449 327 L N 1.009 122.179 121.223 -0.088 0.000 2.042 327 L HA -0.113 4.227 4.340 0.000 0.000 0.210 327 L C 1.233 178.052 176.870 -0.084 0.000 1.076 327 L CA 1.861 56.651 54.840 -0.084 0.000 0.749 327 L CB -0.468 41.534 42.059 -0.096 0.000 0.893 327 L HN 0.155 nan 8.230 nan 0.000 0.432 328 N N -0.078 118.573 118.700 -0.083 0.000 2.322 328 N HA 0.181 4.921 4.740 0.000 0.000 0.194 328 N C 0.330 175.820 175.510 -0.033 0.000 1.126 328 N CA 0.629 53.642 53.050 -0.062 0.000 0.845 328 N CB 0.193 38.660 38.487 -0.033 0.000 0.976 328 N HN 0.430 nan 8.380 nan 0.000 0.475 329 A N 0.243 123.035 122.820 -0.046 0.000 2.248 329 A HA 0.577 4.897 4.320 0.000 0.000 0.316 329 A C 0.007 177.567 177.584 -0.039 0.000 1.101 329 A CA -0.404 51.606 52.037 -0.046 0.000 0.875 329 A CB 1.034 19.991 19.000 -0.071 0.000 1.207 329 A HN -0.038 nan 8.150 nan 0.000 0.504 330 V N 1.305 121.196 119.914 -0.039 0.000 2.311 330 V HA 0.299 4.419 4.120 0.000 0.000 0.275 330 V C 0.870 176.941 176.094 -0.039 0.000 1.022 330 V CA 0.403 62.685 62.300 -0.030 0.000 0.830 330 V CB 0.607 32.415 31.823 -0.026 0.000 1.012 330 V HN 1.028 nan 8.190 nan 0.000 0.452 331 T N -0.734 113.807 114.554 -0.022 0.000 3.186 331 T HA 0.216 4.566 4.350 0.000 0.000 0.257 331 T C 0.132 174.852 174.700 0.035 0.000 1.029 331 T CA -0.545 61.548 62.100 -0.011 0.000 0.916 331 T CB -0.355 68.516 68.868 0.006 0.000 1.041 331 T HN 0.532 nan 8.240 nan 0.000 0.562 332 D N 2.420 122.831 120.400 0.017 0.000 2.344 332 D HA 0.525 5.165 4.640 0.000 0.000 0.244 332 D C -0.098 176.219 176.300 0.028 0.000 1.134 332 D CA -0.020 54.004 54.000 0.039 0.000 0.930 332 D CB 0.548 41.353 40.800 0.008 0.000 1.175 332 D HN 0.342 nan 8.370 nan 0.000 0.437 333 N N 0.092 118.837 118.700 0.075 0.000 2.537 333 N HA 0.267 5.007 4.740 0.000 0.000 0.281 333 N C -2.940 172.602 175.510 0.053 0.000 1.097 333 N CA -1.303 51.771 53.050 0.041 0.000 0.964 333 N CB 1.776 40.422 38.487 0.264 0.000 1.588 333 N HN 0.022 nan 8.380 nan 0.000 0.511 334 P HA 0.291 nan 4.420 nan 0.000 0.277 334 P C -0.878 176.098 177.300 -0.540 0.000 1.276 334 P CA -0.423 62.401 63.100 -0.459 0.000 0.788 334 P CB 0.891 32.132 31.700 -0.765 0.000 1.114 335 V N -3.560 115.961 119.914 -0.656 0.000 2.962 335 V HA 0.610 4.730 4.120 0.000 0.000 0.313 335 V C -0.987 174.666 176.094 -0.736 0.000 1.099 335 V CA -0.936 61.011 62.300 -0.588 0.000 0.971 335 V CB 1.609 33.278 31.823 -0.256 0.000 1.028 335 V HN 0.218 nan 8.190 nan 0.000 0.430 336 F N 2.443 122.380 119.950 -0.023 0.000 2.311 336 F HA 0.600 5.127 4.527 0.000 0.000 0.371 336 F C -2.359 173.437 175.800 -0.007 0.000 1.083 336 F CA -2.607 55.387 58.000 -0.010 0.000 1.113 336 F CB 1.200 40.200 39.000 0.000 0.000 1.349 336 F HN 0.294 nan 8.300 nan 0.000 0.470 337 P HA -0.028 nan 4.420 nan 0.000 0.256 337 P C -1.970 175.375 177.300 0.075 0.000 1.173 337 P CA -0.557 62.579 63.100 0.060 0.000 0.768 337 P CB 0.396 32.120 31.700 0.039 0.000 0.758 338 P HA -0.192 nan 4.420 nan 0.000 0.219 338 P C 0.809 178.131 177.300 0.036 0.000 1.146 338 P CA 1.364 64.492 63.100 0.047 0.000 0.808 338 P CB -0.112 31.608 31.700 0.034 0.000 0.779 339 D N -1.792 118.626 120.400 0.031 0.000 2.348 339 D HA 0.020 4.660 4.640 0.000 0.000 0.216 339 D C 1.466 177.783 176.300 0.028 0.000 0.970 339 D CA 0.930 54.944 54.000 0.024 0.000 0.889 339 D CB -1.225 39.586 40.800 0.018 0.000 0.912 339 D HN 0.181 nan 8.370 nan 0.000 0.524 340 G N 0.068 108.892 108.800 0.040 0.000 2.155 340 G HA2 -0.385 3.576 3.960 0.000 0.000 0.257 340 G HA3 -0.385 3.576 3.960 0.000 0.000 0.257 340 G C 1.262 176.185 174.900 0.040 0.000 0.983 340 G CA 1.147 46.273 45.100 0.043 0.000 0.676 340 G HN 0.646 nan 8.290 nan 0.000 0.528 341 S N -1.308 114.413 115.700 0.035 0.000 2.365 341 S HA 0.141 4.611 4.470 0.000 0.000 0.225 341 S C 1.260 175.882 174.600 0.036 0.000 1.039 341 S CA 2.069 60.287 58.200 0.029 0.000 1.033 341 S CB -0.526 62.687 63.200 0.022 0.000 0.887 341 S HN 2.045 nan 8.310 nan 0.000 0.447 342 V N -3.359 116.582 119.914 0.046 0.000 3.040 342 V HA 0.568 4.688 4.120 0.000 0.000 0.312 342 V C -2.420 173.725 176.094 0.086 0.000 1.115 342 V CA -2.211 60.123 62.300 0.057 0.000 0.998 342 V CB 1.202 33.054 31.823 0.049 0.000 1.042 342 V HN -0.095 nan 8.190 nan 0.000 0.433 343 P HA 0.147 nan 4.420 nan 0.000 0.215 343 P C 0.302 177.743 177.300 0.235 0.000 1.153 343 P CA 2.376 65.570 63.100 0.156 0.000 0.853 343 P CB 0.150 31.938 31.700 0.148 0.000 0.788 344 A N -2.283 120.629 122.820 0.153 0.000 2.597 344 A HA 0.628 4.948 4.320 0.000 0.000 0.292 344 A C -1.882 175.685 177.584 -0.027 0.000 1.057 344 A CA -0.566 51.484 52.037 0.023 0.000 0.674 344 A CB 0.397 19.388 19.000 -0.015 0.000 1.278 344 A HN -0.049 nan 8.150 nan 0.000 0.416 345 L N 1.053 122.169 121.223 -0.178 0.000 2.346 345 L HA 0.612 4.952 4.340 0.000 0.000 0.274 345 L C -1.027 175.694 176.870 -0.248 0.000 1.007 345 L CA -0.693 54.084 54.840 -0.105 0.000 0.818 345 L CB 2.155 44.154 42.059 -0.099 0.000 1.284 345 L HN 0.835 nan 8.230 nan 0.000 0.424 346 H N 1.104 120.114 119.070 -0.101 0.000 2.539 346 H HA 0.738 5.294 4.556 0.000 0.000 0.332 346 H C 0.155 175.423 175.328 -0.101 0.000 1.031 346 H CA -0.151 55.837 56.048 -0.101 0.000 1.206 346 H CB 1.945 31.647 29.762 -0.100 0.000 1.446 346 H HN 0.739 nan 8.280 nan 0.000 0.496 347 G N 0.738 109.510 108.800 -0.046 0.000 2.793 347 G HA2 0.450 4.410 3.960 0.000 0.000 0.248 347 G HA3 0.450 4.410 3.960 0.000 0.000 0.248 347 G C -0.234 174.514 174.900 -0.252 0.000 1.198 347 G CA -0.287 44.745 45.100 -0.114 0.000 0.865 347 G HN 0.662 nan 8.290 nan 0.000 0.534 348 G N 0.022 108.548 108.800 -0.457 0.000 4.803 348 G HA2 0.284 4.244 3.960 0.000 0.000 0.266 348 G HA3 0.284 4.244 3.960 0.000 0.000 0.266 348 G C 0.209 174.508 174.900 -1.001 0.000 1.111 348 G CA -0.133 44.319 45.100 -1.080 0.000 0.874 348 G HN 0.257 nan 8.290 nan 0.000 0.555 349 N N 0.884 119.213 118.700 -0.618 0.000 2.609 349 N HA -0.034 4.706 4.740 0.000 0.000 0.190 349 N C 1.476 176.837 175.510 -0.248 0.000 1.157 349 N CA 0.293 53.140 53.050 -0.338 0.000 0.918 349 N CB -0.150 38.225 38.487 -0.187 0.000 0.978 349 N HN 0.625 nan 8.380 nan 0.000 0.448 350 F N -1.227 118.705 119.950 -0.030 0.000 2.789 350 F HA 0.336 4.863 4.527 0.000 0.000 0.300 350 F C 0.798 176.595 175.800 -0.005 0.000 1.132 350 F CA -0.812 57.176 58.000 -0.019 0.000 1.404 350 F CB -0.718 38.271 39.000 -0.018 0.000 1.114 350 F HN -0.165 nan 8.300 nan 0.000 0.584 351 M N 2.701 122.301 119.600 -0.001 0.000 2.350 351 M HA 0.372 4.852 4.480 0.000 0.000 0.338 351 M C 0.949 177.300 176.300 0.084 0.000 1.559 351 M CA -0.497 54.870 55.300 0.112 0.000 1.217 351 M CB 0.217 32.805 32.600 -0.021 0.000 1.808 351 M HN 0.233 nan 8.290 nan 0.000 0.458 352 G N 3.475 112.341 108.800 0.109 0.000 3.452 352 G HA2 0.036 3.996 3.960 0.000 0.000 0.258 352 G HA3 0.036 3.996 3.960 0.000 0.000 0.258 352 G C 0.667 175.607 174.900 0.067 0.000 1.305 352 G CA -0.194 44.954 45.100 0.080 0.000 1.514 352 G HN 0.816 nan 8.290 nan 0.000 0.593 353 Q N -0.026 119.813 119.800 0.065 0.000 2.167 353 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 353 Q C 1.928 177.904 176.000 -0.040 0.000 0.970 353 Q CA 1.425 57.233 55.803 0.008 0.000 0.855 353 Q CB -0.109 28.613 28.738 -0.026 0.000 0.911 353 Q HN 0.715 nan 8.270 nan 0.000 0.438 354 H N -1.700 117.348 119.070 -0.035 0.000 2.321 354 H HA -0.065 4.491 4.556 0.000 0.000 0.300 354 H C 1.804 177.055 175.328 -0.129 0.000 1.087 354 H CA 1.760 57.761 56.048 -0.078 0.000 1.319 354 H CB -0.038 29.665 29.762 -0.099 0.000 1.379 354 H HN 0.069 nan 8.280 nan 0.000 0.501 355 V N 0.489 120.411 119.914 0.014 0.000 2.515 355 V HA -0.215 3.905 4.120 0.000 0.000 0.250 355 V C 2.481 178.565 176.094 -0.017 0.000 1.058 355 V CA 1.382 63.653 62.300 -0.049 0.000 1.064 355 V CB -0.897 30.909 31.823 -0.029 0.000 0.675 355 V HN 0.569 nan 8.190 nan 0.000 0.461 356 A N 0.027 122.850 122.820 0.005 0.000 1.858 356 A HA -0.163 4.157 4.320 0.000 0.000 0.216 356 A C 2.198 179.796 177.584 0.024 0.000 1.190 356 A CA 1.823 53.873 52.037 0.022 0.000 0.617 356 A CB -0.525 18.490 19.000 0.025 0.000 0.827 356 A HN 0.486 nan 8.150 nan 0.000 0.443 357 L N -0.144 121.083 121.223 0.006 0.000 2.093 357 L HA -0.145 4.195 4.340 0.000 0.000 0.208 357 L C 2.983 179.899 176.870 0.077 0.000 1.085 357 L CA 1.787 56.660 54.840 0.055 0.000 0.755 357 L CB -0.902 41.201 42.059 0.074 0.000 0.904 357 L HN 0.669 nan 8.230 nan 0.000 0.435 358 T N -4.628 109.873 114.554 -0.088 0.000 2.904 358 T HA -0.087 4.263 4.350 0.000 0.000 0.267 358 T C 2.019 176.800 174.700 0.135 0.000 1.059 358 T CA 1.224 63.226 62.100 -0.163 0.000 1.137 358 T CB -0.217 68.344 68.868 -0.512 0.000 0.879 358 T HN 0.122 nan 8.240 nan 0.000 0.467 359 S N 1.657 117.431 115.700 0.124 0.000 2.368 359 S HA -0.090 4.380 4.470 0.000 0.000 0.224 359 S C 1.841 176.501 174.600 0.100 0.000 1.029 359 S CA 1.187 59.478 58.200 0.151 0.000 0.988 359 S CB -0.519 62.748 63.200 0.112 0.000 0.838 359 S HN 0.515 nan 8.310 nan 0.000 0.462 360 D N 1.631 122.085 120.400 0.090 0.000 2.144 360 D HA 0.016 4.656 4.640 0.000 0.000 0.199 360 D C 2.095 178.448 176.300 0.088 0.000 0.984 360 D CA 1.155 55.202 54.000 0.077 0.000 0.834 360 D CB -0.384 40.457 40.800 0.068 0.000 0.955 360 D HN 0.377 nan 8.370 nan 0.000 0.465 361 A N 0.608 123.516 122.820 0.146 0.000 1.898 361 A HA -0.113 4.207 4.320 0.000 0.000 0.216 361 A C 2.128 179.780 177.584 0.114 0.000 1.181 361 A CA 0.840 52.981 52.037 0.174 0.000 0.620 361 A CB -0.617 18.610 19.000 0.378 0.000 0.819 361 A HN 0.238 nan 8.150 nan 0.000 0.442 362 L N -0.189 121.094 121.223 0.098 0.000 2.093 362 L HA -0.015 4.325 4.340 0.000 0.000 0.208 362 L C 2.631 179.483 176.870 -0.030 0.000 1.085 362 L CA 2.042 56.883 54.840 0.002 0.000 0.755 362 L CB -0.811 41.166 42.059 -0.137 0.000 0.904 362 L HN 0.336 nan 8.230 nan 0.000 0.435 363 A N -1.506 121.311 122.820 -0.004 0.000 1.908 363 A HA -0.222 4.098 4.320 0.000 0.000 0.218 363 A C 2.269 179.826 177.584 -0.045 0.000 1.181 363 A CA 2.377 54.404 52.037 -0.016 0.000 0.627 363 A CB -1.222 17.786 19.000 0.015 0.000 0.818 363 A HN 0.507 nan 8.150 nan 0.000 0.445 364 T N 0.202 114.740 114.554 -0.027 0.000 2.746 364 T HA -0.005 4.345 4.350 0.000 0.000 0.267 364 T C 2.237 176.879 174.700 -0.096 0.000 1.039 364 T CA 1.580 63.651 62.100 -0.047 0.000 1.142 364 T CB -0.460 68.395 68.868 -0.021 0.000 0.866 364 T HN 0.609 nan 8.240 nan 0.000 0.444 365 A N 0.970 123.733 122.820 -0.095 0.000 1.902 365 A HA -0.059 4.261 4.320 0.000 0.000 0.217 365 A C 2.583 179.993 177.584 -0.290 0.000 1.181 365 A CA 1.368 53.315 52.037 -0.150 0.000 0.623 365 A CB -1.055 17.890 19.000 -0.090 0.000 0.818 365 A HN 0.351 nan 8.150 nan 0.000 0.443 366 V N -0.207 119.524 119.914 -0.306 0.000 2.343 366 V HA -0.228 3.892 4.120 0.000 0.000 0.247 366 V C 2.731 178.500 176.094 -0.541 0.000 1.051 366 V CA 2.469 64.443 62.300 -0.544 0.000 1.036 366 V CB -1.167 30.500 31.823 -0.259 0.000 0.654 366 V HN 0.623 nan 8.190 nan 0.000 0.451 367 T N -0.333 114.049 114.554 -0.286 0.000 2.821 367 T HA -0.133 4.217 4.350 0.000 0.000 0.267 367 T C 1.928 176.493 174.700 -0.226 0.000 1.046 367 T CA 1.443 63.417 62.100 -0.210 0.000 1.139 367 T CB -0.119 68.683 68.868 -0.110 0.000 0.871 367 T HN 0.285 nan 8.240 nan 0.000 0.454 368 V N 1.163 120.939 119.914 -0.230 0.000 2.307 368 V HA -0.084 4.036 4.120 0.000 0.000 0.245 368 V C 2.360 178.309 176.094 -0.242 0.000 1.045 368 V CA 1.302 63.487 62.300 -0.192 0.000 1.024 368 V CB -0.515 31.209 31.823 -0.164 0.000 0.651 368 V HN 0.323 nan 8.190 nan 0.000 0.449 369 L N 0.294 121.276 121.223 -0.402 0.000 2.141 369 L HA -0.019 4.321 4.340 0.000 0.000 0.209 369 L C 2.535 179.188 176.870 -0.361 0.000 1.094 369 L CA 2.005 56.597 54.840 -0.413 0.000 0.763 369 L CB -1.126 40.556 42.059 -0.628 0.000 0.908 369 L HN 0.280 nan 8.230 nan 0.000 0.437 370 A N -0.545 121.933 122.820 -0.571 0.000 1.969 370 A HA -0.046 4.274 4.320 0.000 0.000 0.218 370 A C 2.423 179.982 177.584 -0.042 0.000 1.169 370 A CA 1.447 53.351 52.037 -0.223 0.000 0.635 370 A CB -1.198 17.689 19.000 -0.189 0.000 0.810 370 A HN 0.416 nan 8.150 nan 0.000 0.445 371 G N -0.059 108.687 108.800 -0.090 0.000 2.422 371 G HA2 -0.130 3.830 3.960 0.000 0.000 0.218 371 G HA3 -0.130 3.830 3.960 0.000 0.000 0.218 371 G C 1.476 176.376 174.900 0.001 0.000 1.146 371 G CA 1.177 46.258 45.100 -0.033 0.000 0.769 371 G HN 0.507 nan 8.290 nan 0.000 0.547 372 L N 1.420 122.638 121.223 -0.009 0.000 2.017 372 L HA 0.144 4.484 4.340 0.000 0.000 0.208 372 L C 3.018 179.930 176.870 0.070 0.000 1.073 372 L CA 2.313 57.170 54.840 0.029 0.000 0.745 372 L CB -0.781 41.286 42.059 0.013 0.000 0.894 372 L HN 0.214 nan 8.230 nan 0.000 0.432 373 A N -0.882 122.005 122.820 0.111 0.000 1.902 373 A HA -0.229 4.091 4.320 0.000 0.000 0.217 373 A C 2.327 179.969 177.584 0.097 0.000 1.181 373 A CA 1.711 53.832 52.037 0.141 0.000 0.623 373 A CB -0.784 18.359 19.000 0.239 0.000 0.818 373 A HN 0.595 nan 8.150 nan 0.000 0.443 374 E N -0.049 120.202 120.200 0.084 0.000 2.110 374 E HA -0.194 4.156 4.350 0.000 0.000 0.193 374 E C 2.032 178.665 176.600 0.056 0.000 0.988 374 E CA 0.853 57.292 56.400 0.065 0.000 0.804 374 E CB -0.192 29.541 29.700 0.054 0.000 0.745 374 E HN 0.384 nan 8.360 nan 0.000 0.458 375 R N 0.268 120.798 120.500 0.051 0.000 2.148 375 R HA -0.018 4.322 4.340 0.000 0.000 0.223 375 R C 2.355 178.685 176.300 0.050 0.000 1.088 375 R CA 0.722 56.849 56.100 0.046 0.000 0.985 375 R CB -0.343 29.983 30.300 0.042 0.000 0.880 375 R HN 0.386 nan 8.270 nan 0.000 0.451 376 Q N 0.088 119.924 119.800 0.059 0.000 2.119 376 Q HA -0.036 4.304 4.340 0.000 0.000 0.201 376 Q C 2.162 178.188 176.000 0.042 0.000 0.972 376 Q CA 1.127 56.966 55.803 0.059 0.000 0.847 376 Q CB -0.079 28.703 28.738 0.074 0.000 0.903 376 Q HN 0.299 nan 8.270 nan 0.000 0.433 377 I N 0.604 121.199 120.570 0.042 0.000 2.252 377 I HA -0.257 3.913 4.170 0.000 0.000 0.245 377 I C 2.425 178.571 176.117 0.048 0.000 1.102 377 I CA 0.916 62.235 61.300 0.031 0.000 1.385 377 I CB -0.429 37.593 38.000 0.036 0.000 1.064 377 I HN 0.148 nan 8.210 nan 0.000 0.414 378 A N 0.804 123.658 122.820 0.057 0.000 1.940 378 A HA -0.257 4.063 4.320 0.000 0.000 0.219 378 A C 2.440 180.047 177.584 0.038 0.000 1.176 378 A CA 1.979 54.054 52.037 0.064 0.000 0.631 378 A CB -0.636 18.398 19.000 0.057 0.000 0.814 378 A HN 0.406 nan 8.150 nan 0.000 0.446 379 R N -1.002 119.512 120.500 0.025 0.000 2.062 379 R HA -0.009 4.331 4.340 0.000 0.000 0.226 379 R C 2.034 178.328 176.300 -0.009 0.000 1.125 379 R CA 1.326 57.430 56.100 0.007 0.000 0.966 379 R CB -0.417 29.892 30.300 0.016 0.000 0.861 379 R HN 0.383 nan 8.270 nan 0.000 0.433 380 L N 1.254 122.477 121.223 -0.001 0.000 2.127 380 L HA -0.121 4.219 4.340 0.000 0.000 0.211 380 L C 1.975 178.825 176.870 -0.033 0.000 1.089 380 L CA 2.446 57.277 54.840 -0.015 0.000 0.757 380 L CB -0.472 41.577 42.059 -0.016 0.000 0.899 380 L HN 0.460 nan 8.230 nan 0.000 0.434 381 T N -4.319 110.223 114.554 -0.021 0.000 3.107 381 T HA 0.030 4.380 4.350 0.000 0.000 0.249 381 T C 0.720 175.252 174.700 -0.280 0.000 1.096 381 T CA -0.102 61.971 62.100 -0.046 0.000 1.012 381 T CB -0.439 68.528 68.868 0.166 0.000 0.977 381 T HN 0.247 nan 8.240 nan 0.000 0.527 382 D N 2.602 122.887 120.400 -0.192 0.000 2.347 382 D HA 0.078 4.718 4.640 0.000 0.000 0.235 382 D C 1.314 177.495 176.300 -0.198 0.000 1.149 382 D CA -0.343 53.515 54.000 -0.238 0.000 0.850 382 D CB 1.296 42.036 40.800 -0.100 0.000 1.061 382 D HN 0.605 nan 8.370 nan 0.000 0.487 383 E N 3.281 123.331 120.200 -0.250 0.000 2.267 383 E HA -0.206 4.144 4.350 0.000 0.000 0.197 383 E C 1.079 177.628 176.600 -0.086 0.000 0.998 383 E CA 0.797 57.110 56.400 -0.145 0.000 0.830 383 E CB 0.079 29.703 29.700 -0.127 0.000 0.751 383 E HN 0.370 nan 8.360 nan 0.000 0.491 384 R N 0.015 120.467 120.500 -0.080 0.000 2.240 384 R HA 0.168 4.508 4.340 0.000 0.000 0.203 384 R C 1.809 178.084 176.300 -0.043 0.000 1.011 384 R CA 0.599 56.670 56.100 -0.049 0.000 1.007 384 R CB 0.169 30.446 30.300 -0.038 0.000 0.911 384 R HN 0.269 nan 8.270 nan 0.000 0.468 385 L N 0.168 121.361 121.223 -0.050 0.000 2.749 385 L HA 0.116 4.456 4.340 0.000 0.000 0.242 385 L C 0.602 177.451 176.870 -0.035 0.000 1.103 385 L CA -0.091 54.726 54.840 -0.038 0.000 0.906 385 L CB 0.155 42.194 42.059 -0.033 0.000 1.228 385 L HN 0.131 nan 8.230 nan 0.000 0.517 386 N N 0.961 119.634 118.700 -0.045 0.000 2.362 386 N HA -0.039 4.701 4.740 0.000 0.000 0.211 386 N C 0.002 175.495 175.510 -0.029 0.000 1.170 386 N CA -0.319 52.709 53.050 -0.037 0.000 0.828 386 N CB -0.208 38.250 38.487 -0.048 0.000 1.034 386 N HN 0.083 nan 8.380 nan 0.000 0.475 387 R N -0.479 120.005 120.500 -0.027 0.000 3.188 387 R HA -0.171 4.169 4.340 0.000 0.000 0.247 387 R C 0.815 177.102 176.300 -0.021 0.000 0.918 387 R CA 0.491 56.578 56.100 -0.022 0.000 0.629 387 R CB -2.195 28.094 30.300 -0.018 0.000 1.087 387 R HN 0.602 nan 8.270 nan 0.000 0.462 388 G N -1.064 107.722 108.800 -0.023 0.000 2.194 388 G HA2 -0.299 3.661 3.960 0.000 0.000 0.236 388 G HA3 -0.299 3.661 3.960 0.000 0.000 0.236 388 G C 0.263 175.151 174.900 -0.021 0.000 0.987 388 G CA 0.042 45.131 45.100 -0.019 0.000 0.635 388 G HN 0.262 nan 8.290 nan 0.000 0.520 389 L N 1.517 122.724 121.223 -0.027 0.000 2.453 389 L HA 0.435 4.776 4.340 0.000 0.000 0.261 389 L C -1.600 175.251 176.870 -0.032 0.000 1.179 389 L CA -2.034 52.789 54.840 -0.028 0.000 0.813 389 L CB 0.591 42.635 42.059 -0.026 0.000 1.110 389 L HN -0.082 nan 8.230 nan 0.000 0.466 390 P HA 0.067 nan 4.420 nan 0.000 0.269 390 P C -2.499 174.819 177.300 0.030 0.000 1.215 390 P CA -1.009 62.082 63.100 -0.014 0.000 0.780 390 P CB -0.189 31.399 31.700 -0.187 0.000 0.898 391 P HA -0.009 nan 4.420 nan 0.000 0.267 391 P C -0.239 177.087 177.300 0.043 0.000 1.209 391 P CA 0.351 63.374 63.100 -0.128 0.000 0.763 391 P CB -0.184 31.480 31.700 -0.061 0.000 0.816 392 F N 1.585 121.632 119.950 0.161 0.000 3.069 392 F HA -0.244 4.283 4.527 0.000 0.000 0.285 392 F C 1.303 177.272 175.800 0.282 0.000 0.827 392 F CA 0.345 58.462 58.000 0.196 0.000 1.108 392 F CB -2.649 36.456 39.000 0.175 0.000 1.252 392 F HN 0.275 nan 8.300 nan 0.000 0.483 393 L N -1.672 119.714 121.223 0.271 0.000 3.737 393 L HA -0.312 4.028 4.340 0.000 0.000 0.418 393 L C 1.305 178.330 176.870 0.258 0.000 1.216 393 L CA 1.020 55.998 54.840 0.229 0.000 0.915 393 L CB -1.998 40.212 42.059 0.251 0.000 1.834 393 L HN 0.699 nan 8.230 nan 0.000 0.943 394 H N 0.464 119.655 119.070 0.200 0.000 2.603 394 H HA 0.666 5.222 4.556 0.000 0.000 0.370 394 H C 0.250 175.633 175.328 0.092 0.000 1.225 394 H CA -0.431 55.695 56.048 0.130 0.000 1.410 394 H CB 0.901 30.731 29.762 0.112 0.000 1.495 394 H HN 0.300 nan 8.280 nan 0.000 0.602 395 R N -0.076 120.441 120.500 0.029 0.000 2.854 395 R HA 0.485 4.825 4.340 0.000 0.000 0.271 395 R C -0.394 176.003 176.300 0.162 0.000 0.994 395 R CA -0.244 55.843 56.100 -0.022 0.000 0.945 395 R CB 2.173 32.479 30.300 0.010 0.000 1.194 395 R HN 1.114 nan 8.270 nan 0.000 0.476 396 G N 1.524 110.394 108.800 0.118 0.000 2.757 396 G HA2 -0.173 3.787 3.960 0.000 0.000 0.638 396 G HA3 -0.173 3.787 3.960 0.000 0.000 0.638 396 G C -2.802 172.226 174.900 0.214 0.000 1.344 396 G CA -1.262 43.918 45.100 0.135 0.000 0.855 396 G HN 0.376 nan 8.290 nan 0.000 0.537 397 P HA 0.465 nan 4.420 nan 0.000 0.267 397 P C 0.433 177.755 177.300 0.037 0.000 1.205 397 P CA 0.765 63.928 63.100 0.106 0.000 0.765 397 P CB 0.790 32.519 31.700 0.047 0.000 0.828 398 A N 3.293 126.114 122.820 0.002 0.000 2.445 398 A HA 0.473 4.793 4.320 0.000 0.000 0.242 398 A C 1.583 179.061 177.584 -0.177 0.000 1.075 398 A CA 0.843 52.677 52.037 -0.339 0.000 0.777 398 A CB -1.014 17.892 19.000 -0.157 0.000 1.013 398 A HN 0.811 nan 8.150 nan 0.000 0.493 399 G N 0.283 108.965 108.800 -0.198 0.000 3.206 399 G HA2 -0.298 3.662 3.960 0.000 0.000 0.217 399 G HA3 -0.298 3.662 3.960 0.000 0.000 0.217 399 G C 1.064 175.916 174.900 -0.080 0.000 1.350 399 G CA 0.505 45.548 45.100 -0.094 0.000 0.836 399 G HN 0.865 nan 8.290 nan 0.000 0.548 400 L N 1.033 122.216 121.223 -0.067 0.000 2.201 400 L HA 0.162 4.502 4.340 0.000 0.000 0.212 400 L C 0.781 177.623 176.870 -0.048 0.000 1.105 400 L CA 0.869 55.684 54.840 -0.042 0.000 0.775 400 L CB -0.285 41.763 42.059 -0.018 0.000 0.913 400 L HN 0.313 nan 8.230 nan 0.000 0.440 401 N N -1.398 117.254 118.700 -0.080 0.000 2.258 401 N HA 0.217 4.957 4.740 0.000 0.000 0.299 401 N C -0.130 175.310 175.510 -0.117 0.000 1.047 401 N CA -0.139 52.877 53.050 -0.057 0.000 0.814 401 N CB 2.163 40.677 38.487 0.044 0.000 1.413 401 N HN -0.228 nan 8.380 nan 0.000 0.478 402 S N 0.033 115.703 115.700 -0.050 0.000 2.603 402 S HA 0.261 4.731 4.470 0.000 0.000 0.232 402 S C 1.243 175.890 174.600 0.078 0.000 1.016 402 S CA 0.057 58.243 58.200 -0.024 0.000 0.976 402 S CB 0.558 63.695 63.200 -0.105 0.000 0.921 402 S HN 0.939 nan 8.310 nan 0.000 0.516 403 G N 2.475 111.313 108.800 0.064 0.000 2.629 403 G HA2 -0.342 3.618 3.960 0.000 0.000 0.313 403 G HA3 -0.342 3.618 3.960 0.000 0.000 0.313 403 G C 0.208 175.014 174.900 -0.158 0.000 1.217 403 G CA 0.735 45.841 45.100 0.009 0.000 0.994 403 G HN 0.457 nan 8.290 nan 0.000 0.549 404 F N 1.372 121.406 119.950 0.141 0.000 2.663 404 F HA 0.479 5.006 4.527 -0.000 0.000 0.299 404 F C 2.376 178.201 175.800 0.042 0.000 1.143 404 F CA 0.892 58.947 58.000 0.092 0.000 1.387 404 F CB 0.156 39.226 39.000 0.117 0.000 1.019 404 F HN 0.329 nan 8.300 nan 0.000 0.523 405 M N 0.024 119.625 119.600 0.002 0.000 2.108 405 M HA -0.134 4.346 4.480 0.000 0.000 0.261 405 M C 2.407 178.572 176.300 -0.225 0.000 1.066 405 M CA 2.249 57.280 55.300 -0.449 0.000 1.107 405 M CB -0.462 31.626 32.600 -0.853 0.000 1.356 405 M HN 0.325 nan 8.290 nan 0.000 0.406 406 G N -0.854 107.872 108.800 -0.123 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 1.482 176.381 174.900 -0.002 0.000 1.165 406 G CA 0.741 45.798 45.100 -0.071 0.000 0.784 406 G HN 0.614 nan 8.290 nan 0.000 0.535 407 A N 0.001 122.857 122.820 0.061 0.000 1.933 407 A HA -0.103 4.217 4.320 0.000 0.000 0.218 407 A C 2.268 179.915 177.584 0.105 0.000 1.175 407 A CA 2.029 54.134 52.037 0.114 0.000 0.628 407 A CB -0.416 18.735 19.000 0.251 0.000 0.814 407 A HN 0.390 nan 8.150 nan 0.000 0.444 408 Q N 0.043 119.916 119.800 0.122 0.000 2.084 408 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 408 Q C 2.084 178.127 176.000 0.072 0.000 0.978 408 Q CA 2.002 57.874 55.803 0.116 0.000 0.844 408 Q CB -0.256 28.595 28.738 0.188 0.000 0.898 408 Q HN 0.437 nan 8.270 nan 0.000 0.426 409 V N 0.509 120.445 119.914 0.036 0.000 2.427 409 V HA -0.202 3.918 4.120 0.000 0.000 0.248 409 V C 2.357 178.466 176.094 0.024 0.000 1.051 409 V CA 2.003 64.315 62.300 0.020 0.000 1.048 409 V CB -0.819 30.997 31.823 -0.012 0.000 0.666 409 V HN 0.376 nan 8.190 nan 0.000 0.456 410 T N 0.473 115.043 114.554 0.026 0.000 2.720 410 T HA -0.185 4.165 4.350 0.000 0.000 0.268 410 T C 2.074 176.794 174.700 0.033 0.000 1.037 410 T CA 1.675 63.790 62.100 0.026 0.000 1.144 410 T CB -0.390 68.494 68.868 0.027 0.000 0.864 410 T HN 0.578 nan 8.240 nan 0.000 0.444 411 A N 1.190 124.036 122.820 0.043 0.000 1.902 411 A HA -0.138 4.182 4.320 0.000 0.000 0.217 411 A C 2.556 180.167 177.584 0.045 0.000 1.181 411 A CA 2.151 54.216 52.037 0.047 0.000 0.623 411 A CB -1.242 17.790 19.000 0.053 0.000 0.818 411 A HN 0.482 nan 8.150 nan 0.000 0.443 412 T N 0.338 114.918 114.554 0.042 0.000 2.746 412 T HA -0.033 4.317 4.350 0.000 0.000 0.267 412 T C 2.218 176.935 174.700 0.029 0.000 1.039 412 T CA 1.604 63.725 62.100 0.036 0.000 1.142 412 T CB -0.469 68.420 68.868 0.036 0.000 0.866 412 T HN 0.609 nan 8.240 nan 0.000 0.444 413 A N 1.264 124.099 122.820 0.026 0.000 1.902 413 A HA 0.001 4.321 4.320 0.000 0.000 0.217 413 A C 2.307 179.906 177.584 0.024 0.000 1.181 413 A CA 1.210 53.260 52.037 0.021 0.000 0.623 413 A CB -0.844 18.167 19.000 0.017 0.000 0.818 413 A HN 0.482 nan 8.150 nan 0.000 0.443 414 L N -1.182 120.059 121.223 0.030 0.000 2.046 414 L HA -0.161 4.179 4.340 0.000 0.000 0.208 414 L C 2.563 179.454 176.870 0.036 0.000 1.077 414 L CA 1.183 56.044 54.840 0.035 0.000 0.747 414 L CB -0.553 41.532 42.059 0.044 0.000 0.896 414 L HN 0.472 nan 8.230 nan 0.000 0.432 415 L N 0.262 121.506 121.223 0.035 0.000 2.056 415 L HA -0.113 4.227 4.340 0.000 0.000 0.207 415 L C 2.646 179.525 176.870 0.015 0.000 1.078 415 L CA 1.947 56.802 54.840 0.025 0.000 0.749 415 L CB -0.691 41.383 42.059 0.024 0.000 0.901 415 L HN 0.131 nan 8.230 nan 0.000 0.433 416 A N -0.805 122.025 122.820 0.016 0.000 1.908 416 A HA -0.287 4.033 4.320 0.000 0.000 0.218 416 A C 2.336 179.927 177.584 0.012 0.000 1.181 416 A CA 1.912 53.956 52.037 0.012 0.000 0.627 416 A CB -0.757 18.251 19.000 0.013 0.000 0.818 416 A HN 0.636 nan 8.150 nan 0.000 0.445 417 E N -0.647 119.562 120.200 0.015 0.000 2.072 417 E HA -0.183 4.167 4.350 0.000 0.000 0.191 417 E C 2.052 178.661 176.600 0.016 0.000 0.985 417 E CA 1.298 57.707 56.400 0.016 0.000 0.801 417 E CB -0.205 29.507 29.700 0.019 0.000 0.750 417 E HN 0.675 nan 8.360 nan 0.000 0.452 418 M N 0.002 119.612 119.600 0.017 0.000 2.108 418 M HA -0.185 4.295 4.480 0.000 0.000 0.261 418 M C 2.318 178.621 176.300 0.005 0.000 1.066 418 M CA 1.578 56.886 55.300 0.013 0.000 1.107 418 M CB -0.223 32.381 32.600 0.007 0.000 1.356 418 M HN 0.018 nan 8.290 nan 0.000 0.406 419 R N 0.090 120.591 120.500 0.001 0.000 2.189 419 R HA -0.031 4.309 4.340 0.000 0.000 0.223 419 R C 2.200 178.504 176.300 0.006 0.000 1.092 419 R CA 1.084 57.184 56.100 -0.001 0.000 0.989 419 R CB -0.433 29.865 30.300 -0.003 0.000 0.876 419 R HN 0.379 nan 8.270 nan 0.000 0.457 420 A N 0.529 123.355 122.820 0.010 0.000 2.067 420 A HA -0.030 4.290 4.320 0.000 0.000 0.219 420 A C 0.795 178.389 177.584 0.016 0.000 1.158 420 A CA 0.908 52.952 52.037 0.012 0.000 0.661 420 A CB 0.098 19.104 19.000 0.010 0.000 0.801 420 A HN 0.101 nan 8.150 nan 0.000 0.452 421 T N 0.177 114.742 114.554 0.018 0.000 2.771 421 T HA 0.547 4.897 4.350 0.000 0.000 0.281 421 T C 0.473 175.193 174.700 0.035 0.000 0.982 421 T CA 0.057 62.173 62.100 0.027 0.000 0.978 421 T CB 1.505 70.388 68.868 0.025 0.000 0.930 421 T HN 0.369 nan 8.240 nan 0.000 0.447 422 G N 3.146 111.979 108.800 0.056 0.000 2.828 422 G HA2 0.666 4.626 3.960 0.000 0.000 0.244 422 G HA3 0.666 4.626 3.960 0.000 0.000 0.244 422 G C -2.622 172.324 174.900 0.077 0.000 1.365 422 G CA -1.563 43.574 45.100 0.060 0.000 1.041 422 G HN 0.436 nan 8.290 nan 0.000 0.560 423 P HA 0.270 nan 4.420 nan 0.000 0.266 423 P C 0.316 177.678 177.300 0.104 0.000 1.195 423 P CA 0.337 63.471 63.100 0.058 0.000 0.768 423 P CB 1.361 33.071 31.700 0.016 0.000 0.838 424 A N 2.006 124.889 122.820 0.106 0.000 1.984 424 A HA -0.043 4.277 4.320 0.000 0.000 0.214 424 A C 2.061 179.713 177.584 0.113 0.000 1.173 424 A CA 1.028 53.166 52.037 0.169 0.000 0.673 424 A CB -1.031 18.037 19.000 0.114 0.000 0.830 424 A HN 0.476 nan 8.150 nan 0.000 0.453 425 S N 0.634 116.356 115.700 0.037 0.000 2.402 425 S HA -0.193 4.277 4.470 0.000 0.000 0.233 425 S C 1.679 176.243 174.600 -0.059 0.000 1.030 425 S CA 1.612 59.815 58.200 0.003 0.000 1.003 425 S CB -0.706 62.496 63.200 0.003 0.000 0.813 425 S HN 0.802 nan 8.310 nan 0.000 0.477 426 I N -1.319 119.143 120.570 -0.180 0.000 3.444 426 I HA 0.063 4.233 4.170 0.000 0.000 0.287 426 I C 0.668 176.555 176.117 -0.383 0.000 1.302 426 I CA 0.935 62.062 61.300 -0.288 0.000 1.368 426 I CB -0.333 37.453 38.000 -0.356 0.000 1.048 426 I HN 0.159 nan 8.210 nan 0.000 0.487 427 H N 1.147 120.228 119.070 0.018 0.000 2.524 427 H HA 0.315 4.871 4.556 0.000 0.000 0.299 427 H C 0.606 175.945 175.328 0.019 0.000 1.074 427 H CA -0.244 55.814 56.048 0.017 0.000 1.115 427 H CB 0.121 29.893 29.762 0.017 0.000 1.522 427 H HN 0.304 nan 8.280 nan 0.000 0.543 428 S N 1.248 116.991 115.700 0.072 0.000 2.552 428 S HA 0.195 4.665 4.470 0.000 0.000 0.289 428 S C 0.285 174.922 174.600 0.062 0.000 1.304 428 S CA -0.209 58.028 58.200 0.061 0.000 1.063 428 S CB -0.011 63.211 63.200 0.037 0.000 0.848 428 S HN 0.295 nan 8.310 nan 0.000 0.499 429 I N 3.351 123.956 120.570 0.058 0.000 2.533 429 I HA 0.228 4.398 4.170 0.000 0.000 0.290 429 I C 0.080 176.221 176.117 0.041 0.000 1.056 429 I CA -0.653 60.677 61.300 0.049 0.000 1.057 429 I CB 2.141 40.170 38.000 0.049 0.000 1.240 429 I HN 0.575 nan 8.210 nan 0.000 0.423 430 S N 3.905 119.627 115.700 0.036 0.000 2.525 430 S HA 0.275 4.745 4.470 0.000 0.000 0.285 430 S C -0.219 174.401 174.600 0.033 0.000 1.283 430 S CA 0.396 58.616 58.200 0.034 0.000 1.072 430 S CB 0.294 63.512 63.200 0.029 0.000 0.867 430 S HN 0.769 nan 8.310 nan 0.000 0.492 431 T N 3.076 117.650 114.554 0.034 0.000 2.681 431 T HA 0.420 4.770 4.350 0.000 0.000 0.296 431 T C -0.412 174.308 174.700 0.034 0.000 1.157 431 T CA -0.126 61.994 62.100 0.033 0.000 1.025 431 T CB 0.825 69.713 68.868 0.033 0.000 1.441 431 T HN 0.922 nan 8.240 nan 0.000 0.504 432 N N 0.668 119.388 118.700 0.033 0.000 2.746 432 N HA -0.213 4.527 4.740 0.000 0.000 0.250 432 N C 0.281 175.812 175.510 0.034 0.000 1.055 432 N CA 0.774 53.846 53.050 0.036 0.000 0.699 432 N CB -1.183 37.328 38.487 0.041 0.000 0.919 432 N HN 1.569 nan 8.380 nan 0.000 0.548 433 A N -0.524 122.313 122.820 0.028 0.000 2.783 433 A HA 0.009 4.329 4.320 0.000 0.000 0.292 433 A C 1.331 178.932 177.584 0.027 0.000 1.495 433 A CA 2.074 54.126 52.037 0.025 0.000 0.787 433 A CB -2.289 16.726 19.000 0.024 0.000 1.017 433 A HN 2.267 nan 8.150 nan 0.000 0.516 434 A N -2.405 120.431 122.820 0.028 0.000 3.396 434 A HA -0.359 3.961 4.320 0.000 0.000 0.267 434 A C 1.386 178.989 177.584 0.032 0.000 1.139 434 A CA 2.035 54.089 52.037 0.028 0.000 1.115 434 A CB -2.536 16.478 19.000 0.024 0.000 1.133 434 A HN 2.232 nan 8.150 nan 0.000 0.920 435 N N 0.007 118.729 118.700 0.036 0.000 2.142 435 N HA -0.091 4.649 4.740 0.000 0.000 0.186 435 N C 0.995 176.534 175.510 0.047 0.000 1.023 435 N CA 1.840 54.915 53.050 0.041 0.000 0.852 435 N CB -0.160 38.355 38.487 0.047 0.000 0.998 435 N HN 0.747 nan 8.380 nan 0.000 0.424 436 Q N 0.576 120.404 119.800 0.047 0.000 3.091 436 Q HA 0.061 4.401 4.340 0.000 0.000 0.301 436 Q C -0.389 175.641 176.000 0.049 0.000 1.337 436 Q CA -0.269 55.567 55.803 0.054 0.000 1.083 436 Q CB 0.532 29.298 28.738 0.046 0.000 1.477 436 Q HN 0.518 nan 8.270 nan 0.000 0.537 437 D N -0.477 119.950 120.400 0.046 0.000 2.310 437 D HA -0.086 4.554 4.640 0.000 0.000 0.212 437 D C 0.695 177.018 176.300 0.039 0.000 0.965 437 D CA 0.458 54.481 54.000 0.038 0.000 0.879 437 D CB 0.081 40.899 40.800 0.031 0.000 0.921 437 D HN 0.205 nan 8.370 nan 0.000 0.510 438 V N -1.689 118.253 119.914 0.047 0.000 2.686 438 V HA 0.749 4.869 4.120 0.000 0.000 0.306 438 V C -0.385 175.745 176.094 0.060 0.000 1.065 438 V CA -1.206 61.121 62.300 0.045 0.000 0.894 438 V CB 1.861 33.705 31.823 0.036 0.000 1.004 438 V HN 0.109 nan 8.190 nan 0.000 0.424 439 V N 1.096 121.044 119.914 0.057 0.000 2.962 439 V HA 0.779 4.900 4.120 0.000 0.000 0.313 439 V C 1.062 177.193 176.094 0.060 0.000 1.099 439 V CA 0.280 62.621 62.300 0.068 0.000 0.971 439 V CB 1.487 33.347 31.823 0.062 0.000 1.028 439 V HN 1.300 nan 8.190 nan 0.000 0.430 440 S N 2.471 118.212 115.700 0.067 0.000 2.406 440 S HA 0.091 4.561 4.470 0.000 0.000 0.224 440 S C 1.160 175.792 174.600 0.052 0.000 1.030 440 S CA 1.109 59.342 58.200 0.055 0.000 0.958 440 S CB -0.869 62.368 63.200 0.061 0.000 0.811 440 S HN 1.396 nan 8.310 nan 0.000 0.489 441 L N 0.384 121.641 121.223 0.057 0.000 4.040 441 L HA -0.200 4.140 4.340 0.000 0.000 0.410 441 L C 1.518 178.420 176.870 0.053 0.000 1.187 441 L CA 0.021 54.896 54.840 0.057 0.000 0.956 441 L CB -2.296 39.806 42.059 0.071 0.000 2.022 441 L HN 0.533 nan 8.230 nan 0.000 0.897 442 G N -0.312 108.518 108.800 0.049 0.000 2.422 442 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 442 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 442 G C 1.285 176.210 174.900 0.043 0.000 1.146 442 G CA 1.419 46.545 45.100 0.044 0.000 0.769 442 G HN 0.479 nan 8.290 nan 0.000 0.547 443 T N 1.306 115.884 114.554 0.040 0.000 2.777 443 T HA -0.027 4.323 4.350 0.000 0.000 0.266 443 T C 2.380 177.103 174.700 0.038 0.000 1.040 443 T CA 0.970 63.090 62.100 0.035 0.000 1.141 443 T CB -0.135 68.749 68.868 0.028 0.000 0.868 443 T HN 0.269 nan 8.240 nan 0.000 0.444 444 I N 1.652 122.247 120.570 0.041 0.000 2.226 444 I HA -0.162 4.008 4.170 0.000 0.000 0.245 444 I C 3.012 179.160 176.117 0.051 0.000 1.100 444 I CA 1.090 62.415 61.300 0.043 0.000 1.374 444 I CB -0.540 37.488 38.000 0.047 0.000 1.057 444 I HN 0.213 nan 8.210 nan 0.000 0.413 445 A N 0.807 123.661 122.820 0.056 0.000 1.883 445 A HA -0.209 4.111 4.320 0.000 0.000 0.217 445 A C 2.543 180.164 177.584 0.063 0.000 1.186 445 A CA 2.045 54.118 52.037 0.061 0.000 0.624 445 A CB -0.927 18.108 19.000 0.059 0.000 0.822 445 A HN 0.437 nan 8.150 nan 0.000 0.444 446 A N -0.512 122.345 122.820 0.063 0.000 1.933 446 A HA -0.141 4.179 4.320 0.000 0.000 0.218 446 A C 2.247 179.870 177.584 0.065 0.000 1.175 446 A CA 1.515 53.596 52.037 0.074 0.000 0.628 446 A CB -0.416 18.625 19.000 0.070 0.000 0.814 446 A HN 0.558 nan 8.150 nan 0.000 0.444 447 R N -0.609 119.923 120.500 0.053 0.000 2.090 447 R HA 0.061 4.401 4.340 0.000 0.000 0.228 447 R C 1.961 178.290 176.300 0.049 0.000 1.110 447 R CA 1.193 57.322 56.100 0.048 0.000 0.973 447 R CB -0.403 29.919 30.300 0.037 0.000 0.869 447 R HN 0.494 nan 8.270 nan 0.000 0.440 448 L N -0.254 120.998 121.223 0.048 0.000 2.141 448 L HA -0.207 4.133 4.340 0.000 0.000 0.209 448 L C 2.720 179.619 176.870 0.048 0.000 1.094 448 L CA 0.712 55.580 54.840 0.046 0.000 0.763 448 L CB -0.489 41.598 42.059 0.047 0.000 0.908 448 L HN 0.370 nan 8.230 nan 0.000 0.437 449 C N 0.394 119.726 119.300 0.053 0.000 2.446 449 C HA -0.157 4.303 4.460 0.000 0.000 0.277 449 C C 3.106 178.135 174.990 0.064 0.000 1.275 449 C CA 0.902 59.950 59.018 0.051 0.000 1.727 449 C CB -0.528 27.242 27.740 0.050 0.000 2.010 449 C HN 0.506 nan 8.230 nan 0.000 0.486 450 R N 1.214 121.756 120.500 0.070 0.000 2.091 450 R HA -0.089 4.251 4.340 0.000 0.000 0.238 450 R C 2.120 178.468 176.300 0.080 0.000 1.136 450 R CA 2.036 58.184 56.100 0.080 0.000 0.959 450 R CB -0.747 29.598 30.300 0.075 0.000 0.856 450 R HN 0.525 nan 8.270 nan 0.000 0.437 451 E N 0.755 120.994 120.200 0.066 0.000 2.085 451 E HA -0.186 4.164 4.350 0.000 0.000 0.194 451 E C 1.850 178.493 176.600 0.073 0.000 0.994 451 E CA 1.419 57.855 56.400 0.061 0.000 0.801 451 E CB -0.111 29.617 29.700 0.047 0.000 0.743 451 E HN 0.442 nan 8.360 nan 0.000 0.453 452 K N 0.279 120.722 120.400 0.072 0.000 2.097 452 K HA -0.026 4.294 4.320 0.000 0.000 0.205 452 K C 2.303 178.992 176.600 0.147 0.000 1.050 452 K CA 0.752 57.086 56.287 0.078 0.000 0.938 452 K CB -0.114 32.410 32.500 0.039 0.000 0.718 452 K HN 0.090 nan 8.250 nan 0.000 0.442 453 I N 1.479 122.150 120.570 0.168 0.000 2.226 453 I HA -0.285 3.885 4.170 0.000 0.000 0.245 453 I C 1.601 177.840 176.117 0.204 0.000 1.100 453 I CA 1.180 62.635 61.300 0.259 0.000 1.374 453 I CB -0.246 37.874 38.000 0.200 0.000 1.057 453 I HN 0.148 nan 8.210 nan 0.000 0.413 454 D N 0.576 121.054 120.400 0.129 0.000 2.144 454 D HA -0.134 4.506 4.640 0.000 0.000 0.199 454 D C 2.329 178.683 176.300 0.091 0.000 0.984 454 D CA 0.933 54.985 54.000 0.087 0.000 0.834 454 D CB -0.214 40.626 40.800 0.067 0.000 0.955 454 D HN 0.203 nan 8.370 nan 0.000 0.465 455 R N -0.067 120.503 120.500 0.116 0.000 2.075 455 R HA -0.108 4.232 4.340 0.000 0.000 0.232 455 R C 2.130 178.539 176.300 0.182 0.000 1.126 455 R CA 0.428 56.597 56.100 0.114 0.000 0.963 455 R CB -1.055 29.303 30.300 0.096 0.000 0.858 455 R HN 0.339 nan 8.270 nan 0.000 0.435 456 W N 1.977 123.278 121.300 0.002 0.000 2.338 456 W HA -0.106 4.554 4.660 0.000 0.000 0.304 456 W C 2.090 178.601 176.519 -0.013 0.000 1.212 456 W CA 1.442 58.788 57.345 0.002 0.000 1.264 456 W CB -0.620 28.848 29.460 0.013 0.000 1.142 456 W HN 0.141 nan 8.180 nan 0.000 0.512 457 A N 0.145 122.971 122.820 0.009 0.000 1.933 457 A HA -0.226 4.094 4.320 0.000 0.000 0.218 457 A C 1.868 179.370 177.584 -0.136 0.000 1.175 457 A CA 1.972 53.902 52.037 -0.178 0.000 0.628 457 A CB -0.756 18.163 19.000 -0.135 0.000 0.814 457 A HN 0.462 nan 8.150 nan 0.000 0.444 458 E N -0.354 119.822 120.200 -0.041 0.000 2.106 458 E HA -0.094 4.256 4.350 0.000 0.000 0.192 458 E C 1.840 178.424 176.600 -0.027 0.000 0.984 458 E CA 1.099 57.476 56.400 -0.039 0.000 0.806 458 E CB -0.248 29.452 29.700 0.001 0.000 0.750 458 E HN 0.697 nan 8.360 nan 0.000 0.458 459 I N 0.889 121.479 120.570 0.033 0.000 2.226 459 I HA -0.272 3.898 4.170 0.000 0.000 0.245 459 I C 2.242 178.368 176.117 0.016 0.000 1.100 459 I CA 0.986 62.321 61.300 0.060 0.000 1.374 459 I CB -0.160 37.929 38.000 0.149 0.000 1.057 459 I HN 0.113 nan 8.210 nan 0.000 0.413 460 L N 0.435 121.639 121.223 -0.032 0.000 2.083 460 L HA -0.197 4.143 4.340 0.000 0.000 0.209 460 L C 2.829 179.589 176.870 -0.182 0.000 1.083 460 L CA 1.215 55.990 54.840 -0.107 0.000 0.752 460 L CB -0.667 41.238 42.059 -0.256 0.000 0.899 460 L HN 0.247 nan 8.230 nan 0.000 0.433 461 A N 0.326 123.009 122.820 -0.227 0.000 1.902 461 A HA -0.184 4.136 4.320 0.000 0.000 0.217 461 A C 2.202 179.663 177.584 -0.205 0.000 1.181 461 A CA 1.520 53.389 52.037 -0.281 0.000 0.623 461 A CB -0.615 18.229 19.000 -0.259 0.000 0.818 461 A HN 0.353 nan 8.150 nan 0.000 0.443 462 I N -0.862 119.637 120.570 -0.118 0.000 2.226 462 I HA -0.220 3.950 4.170 0.000 0.000 0.245 462 I C 2.415 178.460 176.117 -0.120 0.000 1.100 462 I CA 1.169 62.424 61.300 -0.076 0.000 1.374 462 I CB -0.267 37.726 38.000 -0.011 0.000 1.057 462 I HN 0.395 nan 8.210 nan 0.000 0.413 463 L N 1.232 122.402 121.223 -0.088 0.000 2.083 463 L HA -0.148 4.192 4.340 0.000 0.000 0.209 463 L C 2.525 179.334 176.870 -0.101 0.000 1.083 463 L CA 2.109 56.903 54.840 -0.077 0.000 0.752 463 L CB -0.802 41.252 42.059 -0.007 0.000 0.899 463 L HN 0.184 nan 8.230 nan 0.000 0.433 464 A N -0.535 122.220 122.820 -0.107 0.000 1.902 464 A HA -0.152 4.168 4.320 0.000 0.000 0.217 464 A C 2.264 179.771 177.584 -0.129 0.000 1.181 464 A CA 1.936 53.923 52.037 -0.084 0.000 0.623 464 A CB -0.867 18.044 19.000 -0.148 0.000 0.818 464 A HN 0.498 nan 8.150 nan 0.000 0.443 465 L N -0.919 120.187 121.223 -0.194 0.000 2.093 465 L HA -0.232 4.108 4.340 0.000 0.000 0.208 465 L C 2.720 179.374 176.870 -0.361 0.000 1.085 465 L CA 1.140 55.879 54.840 -0.168 0.000 0.755 465 L CB -0.675 41.352 42.059 -0.053 0.000 0.904 465 L HN 0.489 nan 8.230 nan 0.000 0.435 466 C N -0.183 118.767 119.300 -0.585 0.000 2.429 466 C HA -0.142 4.318 4.460 0.000 0.000 0.277 466 C C 2.749 177.528 174.990 -0.351 0.000 1.262 466 C CA 0.509 59.048 59.018 -0.797 0.000 1.733 466 C CB -0.723 26.687 27.740 -0.549 0.000 2.010 466 C HN 0.428 nan 8.230 nan 0.000 0.483 467 L N 0.862 121.974 121.223 -0.185 0.000 2.093 467 L HA -0.125 4.215 4.340 0.000 0.000 0.208 467 L C 2.846 179.697 176.870 -0.032 0.000 1.085 467 L CA 1.424 56.221 54.840 -0.072 0.000 0.755 467 L CB -0.672 41.379 42.059 -0.014 0.000 0.904 467 L HN 0.338 nan 8.230 nan 0.000 0.435 468 A N -0.307 122.498 122.820 -0.025 0.000 1.902 468 A HA -0.295 4.025 4.320 0.000 0.000 0.217 468 A C 2.212 179.819 177.584 0.038 0.000 1.181 468 A CA 1.989 54.043 52.037 0.028 0.000 0.623 468 A CB -0.506 18.527 19.000 0.055 0.000 0.818 468 A HN 0.429 nan 8.150 nan 0.000 0.443 469 Q N -0.382 119.437 119.800 0.032 0.000 2.046 469 Q HA 0.006 4.346 4.340 0.000 0.000 0.200 469 Q C 2.074 178.101 176.000 0.045 0.000 0.975 469 Q CA 2.019 57.875 55.803 0.089 0.000 0.836 469 Q CB -0.497 28.371 28.738 0.218 0.000 0.896 469 Q HN 0.541 nan 8.270 nan 0.000 0.428 470 A N 0.477 123.295 122.820 -0.004 0.000 1.902 470 A HA -0.094 4.226 4.320 0.000 0.000 0.217 470 A C 2.311 179.901 177.584 0.009 0.000 1.181 470 A CA 1.798 53.833 52.037 -0.003 0.000 0.623 470 A CB -1.233 17.751 19.000 -0.026 0.000 0.818 470 A HN 0.554 nan 8.150 nan 0.000 0.443 471 A N -0.110 122.719 122.820 0.014 0.000 1.902 471 A HA -0.191 4.129 4.320 0.000 0.000 0.217 471 A C 1.918 179.517 177.584 0.024 0.000 1.181 471 A CA 1.709 53.759 52.037 0.022 0.000 0.623 471 A CB -0.506 18.512 19.000 0.030 0.000 0.818 471 A HN 0.664 nan 8.150 nan 0.000 0.443 472 E N -0.318 119.899 120.200 0.030 0.000 2.107 472 E HA -0.056 4.294 4.350 0.000 0.000 0.191 472 E C 1.918 178.530 176.600 0.021 0.000 0.982 472 E CA 0.831 57.249 56.400 0.030 0.000 0.809 472 E CB -0.236 29.488 29.700 0.041 0.000 0.756 472 E HN 0.609 nan 8.360 nan 0.000 0.459 473 L N 0.526 121.760 121.223 0.019 0.000 2.093 473 L HA -0.151 4.189 4.340 0.000 0.000 0.208 473 L C 2.646 179.516 176.870 0.001 0.000 1.085 473 L CA 0.946 55.789 54.840 0.005 0.000 0.755 473 L CB -0.145 41.913 42.059 -0.001 0.000 0.904 473 L HN 0.013 nan 8.230 nan 0.000 0.435 474 R N -0.400 120.103 120.500 0.004 0.000 2.075 474 R HA -0.047 4.293 4.340 0.000 0.000 0.226 474 R C 1.824 178.127 176.300 0.006 0.000 1.114 474 R CA 1.652 57.754 56.100 0.003 0.000 0.972 474 R CB -0.382 29.921 30.300 0.005 0.000 0.869 474 R HN 0.350 nan 8.270 nan 0.000 0.437 475 C N -0.095 119.212 119.300 0.011 0.000 3.183 475 C HA 0.656 5.116 4.460 0.000 0.000 0.285 475 C C 0.631 175.629 174.990 0.013 0.000 1.313 475 C CA -0.255 58.771 59.018 0.013 0.000 1.711 475 C CB -0.649 27.100 27.740 0.016 0.000 2.135 475 C HN 0.732 nan 8.230 nan 0.000 0.651 476 G N 1.595 110.403 108.800 0.013 0.000 2.730 476 G HA2 -0.123 3.837 3.960 0.000 0.000 0.686 476 G HA3 -0.123 3.837 3.960 0.000 0.000 0.686 476 G C 0.666 175.577 174.900 0.019 0.000 1.343 476 G CA 0.058 45.167 45.100 0.014 0.000 0.826 476 G HN 0.736 nan 8.290 nan 0.000 0.582 477 S N -0.667 115.045 115.700 0.020 0.000 2.440 477 S HA 0.038 4.508 4.470 0.000 0.000 0.238 477 S C 2.368 176.982 174.600 0.023 0.000 1.010 477 S CA 1.947 60.161 58.200 0.024 0.000 0.972 477 S CB -0.184 63.029 63.200 0.022 0.000 0.774 477 S HN 2.179 nan 8.310 nan 0.000 0.501 478 G N 0.796 109.607 108.800 0.019 0.000 2.920 478 G HA2 0.357 4.317 3.960 0.000 0.000 0.208 478 G HA3 0.357 4.317 3.960 0.000 0.000 0.208 478 G C 0.531 175.443 174.900 0.020 0.000 1.159 478 G CA -0.104 45.007 45.100 0.018 0.000 0.784 478 G HN 0.604 nan 8.290 nan 0.000 0.535 479 L N 0.995 122.230 121.223 0.021 0.000 3.660 479 L HA -0.144 4.196 4.340 0.000 0.000 0.440 479 L C -0.905 175.977 176.870 0.019 0.000 1.262 479 L CA -0.119 54.734 54.840 0.022 0.000 0.837 479 L CB -1.696 40.379 42.059 0.026 0.000 1.689 479 L HN 0.207 nan 8.230 nan 0.000 0.890 480 D N 1.435 121.845 120.400 0.017 0.000 2.450 480 D HA 0.301 4.941 4.640 0.000 0.000 0.247 480 D C 1.377 177.687 176.300 0.015 0.000 1.162 480 D CA 1.334 55.343 54.000 0.015 0.000 0.879 480 D CB 1.280 42.088 40.800 0.012 0.000 1.163 480 D HN 0.541 nan 8.370 nan 0.000 0.472 481 G N 1.388 110.197 108.800 0.015 0.000 2.217 481 G HA2 -0.277 3.683 3.960 0.000 0.000 0.246 481 G HA3 -0.277 3.683 3.960 0.000 0.000 0.246 481 G C 0.448 175.360 174.900 0.019 0.000 0.990 481 G CA 0.067 45.176 45.100 0.016 0.000 0.627 481 G HN 0.521 nan 8.290 nan 0.000 0.522 482 V N 2.621 122.548 119.914 0.021 0.000 2.715 482 V HA 0.491 4.611 4.120 0.000 0.000 0.299 482 V C 1.508 177.617 176.094 0.025 0.000 1.054 482 V CA 0.199 62.514 62.300 0.026 0.000 1.077 482 V CB 1.399 33.239 31.823 0.028 0.000 0.972 482 V HN 1.088 nan 8.190 nan 0.000 0.484 483 S N 4.875 120.592 115.700 0.029 0.000 2.569 483 S HA 0.125 4.595 4.470 0.000 0.000 0.274 483 S C -1.717 172.896 174.600 0.022 0.000 1.353 483 S CA -0.607 57.609 58.200 0.027 0.000 1.023 483 S CB 0.505 63.727 63.200 0.036 0.000 0.876 483 S HN 0.577 nan 8.310 nan 0.000 0.540 484 P HA -0.046 nan 4.420 nan 0.000 0.215 484 P C 1.652 178.958 177.300 0.009 0.000 1.153 484 P CA 1.942 65.049 63.100 0.012 0.000 0.853 484 P CB -0.248 31.458 31.700 0.008 0.000 0.788 485 A N -0.275 122.548 122.820 0.005 0.000 1.902 485 A HA -0.078 4.242 4.320 0.000 0.000 0.217 485 A C 2.476 180.060 177.584 -0.001 0.000 1.181 485 A CA 2.069 54.101 52.037 -0.007 0.000 0.623 485 A CB -1.870 17.121 19.000 -0.015 0.000 0.818 485 A HN 0.275 nan 8.150 nan 0.000 0.443 486 G N -0.422 108.388 108.800 0.016 0.000 2.402 486 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 486 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 486 G C 1.686 176.604 174.900 0.031 0.000 1.162 486 G CA 1.074 46.191 45.100 0.028 0.000 0.777 486 G HN 0.561 nan 8.290 nan 0.000 0.539 487 K N 0.200 120.616 120.400 0.027 0.000 2.057 487 K HA -0.060 4.260 4.320 0.000 0.000 0.207 487 K C 2.444 179.063 176.600 0.031 0.000 1.049 487 K CA 1.316 57.620 56.287 0.029 0.000 0.931 487 K CB -0.139 32.376 32.500 0.024 0.000 0.714 487 K HN 0.260 nan 8.250 nan 0.000 0.440 488 K N 1.396 121.810 120.400 0.023 0.000 2.063 488 K HA -0.152 4.168 4.320 0.000 0.000 0.208 488 K C 2.164 178.786 176.600 0.037 0.000 1.048 488 K CA 1.067 57.368 56.287 0.023 0.000 0.928 488 K CB -0.111 32.393 32.500 0.007 0.000 0.713 488 K HN 0.102 nan 8.250 nan 0.000 0.442 489 L N 0.672 121.915 121.223 0.033 0.000 2.017 489 L HA -0.175 4.165 4.340 0.000 0.000 0.208 489 L C 2.096 179.032 176.870 0.110 0.000 1.073 489 L CA 1.182 56.061 54.840 0.064 0.000 0.745 489 L CB -0.164 41.918 42.059 0.040 0.000 0.894 489 L HN 0.028 nan 8.230 nan 0.000 0.432 490 V N -0.103 119.863 119.914 0.087 0.000 2.343 490 V HA -0.302 3.818 4.120 0.000 0.000 0.247 490 V C 2.466 178.613 176.094 0.087 0.000 1.051 490 V CA 1.999 64.353 62.300 0.090 0.000 1.036 490 V CB -0.668 31.196 31.823 0.068 0.000 0.654 490 V HN 0.553 nan 8.190 nan 0.000 0.451 491 Q N 0.008 119.849 119.800 0.069 0.000 2.084 491 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 491 Q C 2.435 178.476 176.000 0.068 0.000 0.978 491 Q CA 1.787 57.625 55.803 0.059 0.000 0.844 491 Q CB -0.443 28.321 28.738 0.043 0.000 0.898 491 Q HN 0.673 nan 8.270 nan 0.000 0.426 492 A N 0.942 123.811 122.820 0.082 0.000 1.902 492 A HA -0.150 4.170 4.320 0.000 0.000 0.217 492 A C 2.084 179.737 177.584 0.116 0.000 1.181 492 A CA 1.065 53.157 52.037 0.091 0.000 0.623 492 A CB -0.657 18.412 19.000 0.115 0.000 0.818 492 A HN 0.278 nan 8.150 nan 0.000 0.443 493 L N -1.059 120.262 121.223 0.163 0.000 2.046 493 L HA -0.152 4.189 4.340 0.000 0.000 0.208 493 L C 2.636 179.650 176.870 0.239 0.000 1.077 493 L CA 0.975 55.957 54.840 0.237 0.000 0.747 493 L CB -0.435 41.741 42.059 0.196 0.000 0.896 493 L HN 0.263 nan 8.230 nan 0.000 0.432 494 R N 0.407 120.996 120.500 0.147 0.000 2.285 494 R HA -0.113 4.227 4.340 0.000 0.000 0.213 494 R C 1.828 178.155 176.300 0.044 0.000 1.068 494 R CA 0.692 56.856 56.100 0.107 0.000 1.004 494 R CB -0.348 30.001 30.300 0.081 0.000 0.873 494 R HN 0.567 nan 8.270 nan 0.000 0.467 495 E N 0.054 120.268 120.200 0.023 0.000 2.152 495 E HA -0.138 4.212 4.350 0.000 0.000 0.192 495 E C 1.438 177.972 176.600 -0.111 0.000 0.983 495 E CA 0.739 57.121 56.400 -0.030 0.000 0.818 495 E CB 0.244 29.930 29.700 -0.024 0.000 0.758 495 E HN 0.241 nan 8.360 nan 0.000 0.467 496 Q N -0.949 118.732 119.800 -0.197 0.000 2.391 496 Q HA 0.141 4.481 4.340 0.000 0.000 0.243 496 Q C -0.197 175.359 176.000 -0.739 0.000 0.874 496 Q CA 0.353 55.848 55.803 -0.513 0.000 0.950 496 Q CB 0.726 29.007 28.738 -0.761 0.000 1.103 496 Q HN 0.128 nan 8.270 nan 0.000 0.544 497 F N 2.256 122.197 119.950 -0.015 0.000 2.382 497 F HA 0.428 4.955 4.527 0.000 0.000 0.361 497 F C -2.112 173.701 175.800 0.022 0.000 1.109 497 F CA -2.635 55.367 58.000 0.004 0.000 1.031 497 F CB 1.303 40.308 39.000 0.009 0.000 1.234 497 F HN -0.192 nan 8.300 nan 0.000 0.445 498 P HA 0.129 nan 4.420 nan 0.000 0.272 498 P C -2.361 175.012 177.300 0.123 0.000 1.230 498 P CA -0.944 62.211 63.100 0.092 0.000 0.788 498 P CB 0.020 31.748 31.700 0.048 0.000 0.949 499 P HA 0.075 nan 4.420 nan 0.000 0.272 499 P C -0.736 176.617 177.300 0.088 0.000 1.230 499 P CA -0.137 63.029 63.100 0.111 0.000 0.788 499 P CB 0.496 32.246 31.700 0.083 0.000 0.949 500 L N 2.081 123.362 121.223 0.096 0.000 2.358 500 L HA 0.158 4.498 4.340 0.000 0.000 0.274 500 L C 1.283 178.165 176.870 0.019 0.000 1.136 500 L CA 0.417 55.264 54.840 0.011 0.000 0.970 500 L CB -0.654 41.333 42.059 -0.119 0.000 1.314 500 L HN 0.310 nan 8.230 nan 0.000 0.427 501 E N 1.040 121.251 120.200 0.018 0.000 2.230 501 E HA 0.018 4.368 4.350 0.000 0.000 0.192 501 E C 0.239 176.852 176.600 0.021 0.000 0.987 501 E CA 0.511 56.924 56.400 0.023 0.000 0.841 501 E CB 0.386 30.099 29.700 0.021 0.000 0.783 501 E HN 0.578 nan 8.360 nan 0.000 0.481 502 T N 0.137 114.694 114.554 0.004 0.000 2.889 502 T HA 0.119 4.469 4.350 0.000 0.000 0.315 502 T C -1.768 172.913 174.700 -0.032 0.000 1.291 502 T CA -0.993 61.108 62.100 0.002 0.000 1.028 502 T CB 1.408 70.278 68.868 0.004 0.000 1.235 502 T HN -0.228 nan 8.240 nan 0.000 0.491 503 D N 2.658 123.035 120.400 -0.038 0.000 2.472 503 D HA 0.350 4.990 4.640 0.000 0.000 0.237 503 D C 0.588 176.847 176.300 -0.068 0.000 1.141 503 D CA 0.629 54.584 54.000 -0.075 0.000 0.875 503 D CB 0.394 41.155 40.800 -0.065 0.000 1.192 503 D HN 0.684 nan 8.370 nan 0.000 0.450 504 R N 0.284 120.731 120.500 -0.089 0.000 2.692 504 R HA 0.607 4.947 4.340 0.000 0.000 0.269 504 R C -3.142 173.120 176.300 -0.063 0.000 1.030 504 R CA -1.682 54.382 56.100 -0.060 0.000 0.882 504 R CB 0.306 30.580 30.300 -0.043 0.000 1.250 504 R HN 0.011 nan 8.270 nan 0.000 0.465 505 P HA 0.130 nan 4.420 nan 0.000 0.267 505 P C -0.281 177.010 177.300 -0.016 0.000 1.205 505 P CA -0.235 62.849 63.100 -0.028 0.000 0.765 505 P CB 0.591 32.283 31.700 -0.014 0.000 0.828 506 L N 1.645 122.860 121.223 -0.014 0.000 2.731 506 L HA 0.176 4.516 4.340 0.000 0.000 0.240 506 L C 2.308 179.197 176.870 0.031 0.000 1.120 506 L CA 0.383 55.232 54.840 0.015 0.000 0.913 506 L CB -0.328 41.739 42.059 0.013 0.000 1.213 506 L HN 0.531 nan 8.230 nan 0.000 0.515 507 G N 0.230 109.042 108.800 0.019 0.000 2.529 507 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 507 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 507 G C 1.413 176.330 174.900 0.029 0.000 1.177 507 G CA 0.761 45.873 45.100 0.020 0.000 0.773 507 G HN 0.375 nan 8.290 nan 0.000 0.573 508 Q N -0.186 119.636 119.800 0.037 0.000 2.167 508 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 508 Q C 2.527 178.581 176.000 0.089 0.000 0.970 508 Q CA 1.187 57.020 55.803 0.050 0.000 0.855 508 Q CB -0.071 28.692 28.738 0.041 0.000 0.911 508 Q HN 0.626 nan 8.270 nan 0.000 0.438 509 E N 0.545 120.816 120.200 0.119 0.000 2.072 509 E HA -0.151 4.199 4.350 0.000 0.000 0.191 509 E C 1.933 178.570 176.600 0.063 0.000 0.985 509 E CA 0.767 57.302 56.400 0.226 0.000 0.801 509 E CB -0.010 29.846 29.700 0.260 0.000 0.750 509 E HN 0.328 nan 8.360 nan 0.000 0.452 510 I N 1.101 121.671 120.570 -0.000 0.000 2.163 510 I HA -0.296 3.874 4.170 0.000 0.000 0.243 510 I C 2.526 178.614 176.117 -0.049 0.000 1.085 510 I CA 1.077 62.340 61.300 -0.062 0.000 1.347 510 I CB -0.298 37.688 38.000 -0.022 0.000 1.044 510 I HN 0.098 nan 8.210 nan 0.000 0.408 511 A N 0.630 123.451 122.820 0.001 0.000 1.902 511 A HA -0.153 4.167 4.320 0.000 0.000 0.217 511 A C 2.536 180.136 177.584 0.027 0.000 1.181 511 A CA 1.846 53.889 52.037 0.010 0.000 0.623 511 A CB -0.847 18.166 19.000 0.022 0.000 0.818 511 A HN 0.436 nan 8.150 nan 0.000 0.443 512 A N -0.572 122.294 122.820 0.077 0.000 1.877 512 A HA -0.029 4.291 4.320 0.000 0.000 0.216 512 A C 2.130 179.802 177.584 0.146 0.000 1.186 512 A CA 1.753 53.872 52.037 0.137 0.000 0.620 512 A CB -0.617 18.520 19.000 0.230 0.000 0.822 512 A HN 0.657 nan 8.150 nan 0.000 0.443 513 L N -0.228 121.027 121.223 0.053 0.000 2.056 513 L HA -0.010 4.330 4.340 0.000 0.000 0.207 513 L C 2.668 179.450 176.870 -0.146 0.000 1.078 513 L CA 2.055 56.815 54.840 -0.132 0.000 0.749 513 L CB -0.894 40.809 42.059 -0.592 0.000 0.901 513 L HN 0.350 nan 8.230 nan 0.000 0.433 514 A N -1.516 121.219 122.820 -0.142 0.000 1.908 514 A HA -0.242 4.078 4.320 0.000 0.000 0.218 514 A C 2.268 179.794 177.584 -0.096 0.000 1.181 514 A CA 2.402 54.350 52.037 -0.149 0.000 0.627 514 A CB -1.253 17.691 19.000 -0.093 0.000 0.818 514 A HN 0.509 nan 8.150 nan 0.000 0.445 515 T N -1.499 113.041 114.554 -0.022 0.000 2.788 515 T HA -0.168 4.182 4.350 0.000 0.000 0.268 515 T C 1.846 176.554 174.700 0.014 0.000 1.044 515 T CA 1.916 64.023 62.100 0.011 0.000 1.139 515 T CB -0.385 68.510 68.868 0.043 0.000 0.867 515 T HN 0.810 nan 8.240 nan 0.000 0.454 516 H N 1.052 120.082 119.070 -0.068 0.000 2.326 516 H HA 0.124 4.680 4.556 0.000 0.000 0.301 516 H C 2.020 177.273 175.328 -0.124 0.000 1.081 516 H CA 1.183 57.195 56.048 -0.060 0.000 1.334 516 H CB -0.462 29.287 29.762 -0.021 0.000 1.385 516 H HN 0.227 nan 8.280 nan 0.000 0.504 517 L N -0.003 121.049 121.223 -0.284 0.000 2.127 517 L HA -0.184 4.156 4.340 0.000 0.000 0.211 517 L C 2.307 179.028 176.870 -0.248 0.000 1.089 517 L CA 1.037 55.567 54.840 -0.517 0.000 0.757 517 L CB -0.510 41.056 42.059 -0.821 0.000 0.899 517 L HN 0.340 nan 8.230 nan 0.000 0.434 518 L N -0.818 120.299 121.223 -0.177 0.000 2.291 518 L HA -0.164 4.176 4.340 0.000 0.000 0.214 518 L C 2.185 179.025 176.870 -0.049 0.000 1.120 518 L CA 1.021 55.820 54.840 -0.068 0.000 0.799 518 L CB -0.191 41.859 42.059 -0.015 0.000 0.925 518 L HN 0.373 nan 8.230 nan 0.000 0.446 519 Q N -1.593 118.091 119.800 -0.195 0.000 2.280 519 Q HA 0.197 4.537 4.340 0.000 0.000 0.228 519 Q C -0.045 175.532 176.000 -0.704 0.000 0.857 519 Q CA 0.046 55.694 55.803 -0.260 0.000 0.939 519 Q CB 1.074 29.765 28.738 -0.079 0.000 1.114 519 Q HN 0.424 nan 8.270 nan 0.000 0.514 520 Q N -0.199 119.157 119.800 -0.739 0.000 2.379 520 Q HA 0.469 4.810 4.340 0.000 0.000 0.278 520 Q C -1.285 174.613 176.000 -0.170 0.000 1.068 520 Q CA -0.419 55.021 55.803 -0.604 0.000 0.816 520 Q CB 2.717 31.191 28.738 -0.440 0.000 1.387 520 Q HN -0.052 nan 8.270 nan 0.000 0.413 521 S N 2.026 117.684 115.700 -0.069 0.000 2.651 521 S HA 0.586 5.056 4.470 0.000 0.000 0.291 521 S C -2.429 171.970 174.600 -0.334 0.000 1.141 521 S CA -1.151 56.959 58.200 -0.150 0.000 1.027 521 S CB 0.988 64.153 63.200 -0.058 0.000 1.043 521 S HN 0.419 nan 8.310 nan 0.000 0.530 522 P HA 0.324 nan 4.420 nan 0.000 0.281 522 P C -0.761 176.348 177.300 -0.318 0.000 1.286 522 P CA -0.156 62.555 63.100 -0.648 0.000 0.772 522 P CB 0.434 31.471 31.700 -1.105 0.000 0.862 523 V N 0.000 119.821 119.914 -0.156 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 -0.094 0.000 1.235 523 V CB 0.000 31.782 31.823 -0.069 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556