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 2o7f_1_E DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.610 176.600 0.016 0.000 0.988 8 K CA 0.000 56.297 56.287 0.017 0.000 0.838 8 K CB 0.000 32.512 32.500 0.020 0.000 1.064 9 P HA 0.199 nan 4.420 nan 0.000 0.269 9 P C -1.166 176.142 177.300 0.014 0.000 1.215 9 P CA -0.411 62.699 63.100 0.017 0.000 0.780 9 P CB 1.151 32.864 31.700 0.021 0.000 0.898 10 A N 1.955 124.782 122.820 0.011 0.000 2.365 10 A HA 0.550 4.870 4.320 -0.000 0.000 0.318 10 A C -0.738 176.849 177.584 0.005 0.000 1.091 10 A CA -0.724 51.317 52.037 0.006 0.000 0.763 10 A CB 1.539 20.542 19.000 0.004 0.000 1.248 10 A HN 0.340 nan 8.150 nan 0.000 0.442 11 V N 2.068 121.982 119.914 0.000 0.000 2.370 11 V HA 0.301 4.421 4.120 -0.000 0.000 0.283 11 V C 0.207 176.298 176.094 -0.004 0.000 1.023 11 V CA -0.346 61.953 62.300 -0.001 0.000 0.857 11 V CB 1.259 33.077 31.823 -0.008 0.000 0.985 11 V HN 0.966 nan 8.190 nan 0.000 0.443 12 E N 4.558 124.759 120.200 0.001 0.000 2.130 12 E HA 0.402 4.752 4.350 -0.000 0.000 0.284 12 E C -1.025 175.574 176.600 -0.000 0.000 1.018 12 E CA -0.746 55.654 56.400 0.000 0.000 0.817 12 E CB 1.305 31.008 29.700 0.005 0.000 1.078 12 E HN 0.559 nan 8.360 nan 0.000 0.396 13 L N 5.388 126.607 121.223 -0.007 0.000 2.264 13 L HA 0.337 4.677 4.340 -0.000 0.000 0.289 13 L C -0.310 176.559 176.870 -0.002 0.000 1.044 13 L CA 0.321 55.155 54.840 -0.009 0.000 0.807 13 L CB 1.320 43.367 42.059 -0.021 0.000 1.192 13 L HN 0.712 nan 8.230 nan 0.000 0.425 14 D N 2.853 123.258 120.400 0.008 0.000 3.061 14 D HA 0.192 4.832 4.640 -0.000 0.000 0.243 14 D C 1.321 177.631 176.300 0.017 0.000 1.572 14 D CA 0.768 54.776 54.000 0.012 0.000 1.269 14 D CB 0.729 41.540 40.800 0.019 0.000 1.023 14 D HN 0.602 nan 8.370 nan 0.000 0.280 15 R N -1.730 118.792 120.500 0.037 0.000 2.276 15 R HA 0.204 4.544 4.340 -0.000 0.000 0.195 15 R C 0.162 176.511 176.300 0.081 0.000 0.908 15 R CA -0.111 56.018 56.100 0.048 0.000 1.083 15 R CB 0.684 31.015 30.300 0.052 0.000 1.182 15 R HN 0.224 nan 8.270 nan 0.000 0.608 16 H N -0.120 118.943 119.070 -0.012 0.000 2.622 16 H HA 0.568 5.124 4.556 -0.000 0.000 0.363 16 H C -1.504 173.818 175.328 -0.010 0.000 1.151 16 H CA -0.705 55.335 56.048 -0.013 0.000 1.184 16 H CB 1.656 31.411 29.762 -0.013 0.000 1.643 16 H HN -0.016 nan 8.280 nan 0.000 0.531 17 I N 3.897 124.129 120.570 -0.562 0.000 2.656 17 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 17 I C -1.289 174.561 176.117 -0.446 0.000 1.144 17 I CA -0.840 60.273 61.300 -0.312 0.000 1.038 17 I CB 1.666 39.561 38.000 -0.175 0.000 1.244 17 I HN 0.855 nan 8.210 nan 0.000 0.420 18 D N 5.996 126.303 120.400 -0.155 0.000 2.388 18 D HA 0.246 4.886 4.640 -0.000 0.000 0.254 18 D C 1.020 177.296 176.300 -0.040 0.000 1.111 18 D CA -0.609 53.355 54.000 -0.061 0.000 0.993 18 D CB 1.008 41.846 40.800 0.063 0.000 1.118 18 D HN 0.501 nan 8.370 nan 0.000 0.502 19 L N -0.336 120.885 121.223 -0.003 0.000 2.079 19 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 19 L C 1.470 178.380 176.870 0.067 0.000 1.081 19 L CA 1.434 56.290 54.840 0.027 0.000 0.752 19 L CB -0.507 41.578 42.059 0.043 0.000 0.896 19 L HN 0.452 nan 8.230 nan 0.000 0.433 20 D N -0.194 120.247 120.400 0.068 0.000 2.117 20 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 20 D C 2.329 178.679 176.300 0.082 0.000 0.982 20 D CA 1.094 55.154 54.000 0.100 0.000 0.828 20 D CB -0.138 40.710 40.800 0.081 0.000 0.967 20 D HN 0.410 nan 8.370 nan 0.000 0.464 21 Q N 0.419 120.245 119.800 0.042 0.000 2.084 21 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 21 Q C 2.247 178.248 176.000 0.002 0.000 0.978 21 Q CA 1.377 57.191 55.803 0.019 0.000 0.844 21 Q CB -0.123 28.615 28.738 0.000 0.000 0.898 21 Q HN 0.208 nan 8.270 nan 0.000 0.426 22 A N 0.934 123.751 122.820 -0.004 0.000 1.883 22 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 22 A C 1.968 179.539 177.584 -0.022 0.000 1.186 22 A CA 1.742 53.764 52.037 -0.024 0.000 0.624 22 A CB -0.930 18.056 19.000 -0.024 0.000 0.822 22 A HN 0.469 nan 8.150 nan 0.000 0.444 23 H N -0.103 118.921 119.070 -0.077 0.000 2.423 23 H HA -0.004 4.552 4.556 -0.000 0.000 0.297 23 H C 2.281 177.531 175.328 -0.131 0.000 1.075 23 H CA 1.459 57.424 56.048 -0.139 0.000 1.342 23 H CB -0.154 29.451 29.762 -0.262 0.000 1.395 23 H HN 0.418 nan 8.280 nan 0.000 0.530 24 A N 0.488 123.297 122.820 -0.018 0.000 1.908 24 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 24 A C 2.828 180.367 177.584 -0.075 0.000 1.181 24 A CA 1.767 53.792 52.037 -0.021 0.000 0.627 24 A CB -0.870 18.147 19.000 0.028 0.000 0.818 24 A HN 0.291 nan 8.150 nan 0.000 0.445 25 V N -0.317 119.547 119.914 -0.084 0.000 2.283 25 V HA -0.179 3.941 4.120 -0.000 0.000 0.243 25 V C 3.070 179.065 176.094 -0.164 0.000 1.039 25 V CA 1.804 64.048 62.300 -0.094 0.000 1.016 25 V CB -1.346 30.428 31.823 -0.082 0.000 0.650 25 V HN 0.610 nan 8.190 nan 0.000 0.449 26 A N 0.995 123.681 122.820 -0.224 0.000 1.917 26 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 26 A C 2.391 179.747 177.584 -0.381 0.000 1.182 26 A CA 2.490 54.339 52.037 -0.314 0.000 0.633 26 A CB -0.808 18.018 19.000 -0.290 0.000 0.819 26 A HN 0.711 nan 8.150 nan 0.000 0.448 27 S N -1.770 113.716 115.700 -0.356 0.000 2.603 27 S HA 0.363 4.833 4.470 -0.000 0.000 0.220 27 S C 1.387 176.097 174.600 0.184 0.000 0.967 27 S CA 1.030 59.166 58.200 -0.106 0.000 0.920 27 S CB -0.466 62.560 63.200 -0.290 0.000 0.773 27 S HN 1.996 nan 8.310 nan 0.000 0.529 28 G N 0.404 109.239 108.800 0.059 0.000 2.155 28 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 28 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 28 G C 0.813 175.777 174.900 0.108 0.000 0.983 28 G CA 0.148 45.349 45.100 0.168 0.000 0.676 28 G HN 0.966 nan 8.290 nan 0.000 0.528 29 G N -0.609 108.225 108.800 0.056 0.000 2.623 29 G HA2 0.572 4.532 3.960 -0.000 0.000 0.214 29 G HA3 0.572 4.532 3.960 -0.000 0.000 0.214 29 G C 0.640 175.561 174.900 0.036 0.000 1.138 29 G CA 1.628 46.759 45.100 0.051 0.000 0.794 29 G HN 1.804 nan 8.290 nan 0.000 0.535 30 A N -0.371 122.461 122.820 0.020 0.000 2.515 30 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 30 A C -0.268 177.318 177.584 0.004 0.000 1.059 30 A CA -0.832 51.212 52.037 0.013 0.000 0.698 30 A CB 1.542 20.547 19.000 0.009 0.000 1.289 30 A HN 0.200 nan 8.150 nan 0.000 0.404 31 R N 0.109 120.612 120.500 0.005 0.000 2.543 31 R HA 0.622 4.962 4.340 -0.000 0.000 0.268 31 R C -0.687 175.607 176.300 -0.010 0.000 1.067 31 R CA -0.365 55.734 56.100 -0.001 0.000 1.142 31 R CB 1.205 31.507 30.300 0.003 0.000 1.110 31 R HN 0.685 nan 8.270 nan 0.000 0.549 32 I N 1.111 121.671 120.570 -0.016 0.000 2.509 32 I HA 0.385 4.555 4.170 -0.000 0.000 0.293 32 I C -1.305 174.803 176.117 -0.015 0.000 1.020 32 I CA -0.899 60.390 61.300 -0.020 0.000 1.088 32 I CB 1.860 39.841 38.000 -0.032 0.000 1.267 32 I HN 0.278 nan 8.210 nan 0.000 0.430 33 V N 8.165 128.071 119.914 -0.012 0.000 2.656 33 V HA 0.493 4.613 4.120 -0.000 0.000 0.307 33 V C -1.354 174.733 176.094 -0.011 0.000 1.051 33 V CA -0.697 61.597 62.300 -0.010 0.000 0.893 33 V CB 2.053 33.873 31.823 -0.006 0.000 0.999 33 V HN 0.641 nan 8.190 nan 0.000 0.426 34 L N 6.906 128.122 121.223 -0.011 0.000 2.261 34 L HA 0.777 5.117 4.340 -0.000 0.000 0.289 34 L C 0.695 177.560 176.870 -0.007 0.000 1.059 34 L CA 0.431 55.264 54.840 -0.011 0.000 0.816 34 L CB 0.734 42.784 42.059 -0.014 0.000 1.191 34 L HN 0.911 nan 8.230 nan 0.000 0.431 35 A N 6.920 129.738 122.820 -0.004 0.000 2.483 35 A HA 0.328 4.648 4.320 -0.000 0.000 0.238 35 A C -1.528 176.054 177.584 -0.002 0.000 1.070 35 A CA -0.660 51.376 52.037 -0.001 0.000 0.770 35 A CB -0.377 18.624 19.000 0.002 0.000 1.008 35 A HN 0.789 nan 8.150 nan 0.000 0.497 36 P HA -0.165 nan 4.420 nan 0.000 0.216 36 P C -1.449 175.850 177.300 -0.002 0.000 1.154 36 P CA 1.914 65.013 63.100 -0.002 0.000 0.865 36 P CB -0.772 30.927 31.700 -0.001 0.000 0.789 37 P HA -0.176 nan 4.420 nan 0.000 0.215 37 P C 1.460 178.761 177.300 0.001 0.000 1.153 37 P CA 2.098 65.199 63.100 0.002 0.000 0.853 37 P CB -0.632 31.071 31.700 0.004 0.000 0.788 38 A N -0.143 122.678 122.820 0.000 0.000 1.877 38 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 38 A C 2.258 179.839 177.584 -0.005 0.000 1.186 38 A CA 1.576 53.612 52.037 -0.001 0.000 0.620 38 A CB -1.124 17.875 19.000 -0.003 0.000 0.822 38 A HN 0.043 nan 8.150 nan 0.000 0.443 39 R N -0.273 120.222 120.500 -0.007 0.000 2.091 39 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 39 R C 1.692 177.985 176.300 -0.011 0.000 1.136 39 R CA 1.526 57.619 56.100 -0.011 0.000 0.959 39 R CB -0.405 29.889 30.300 -0.012 0.000 0.856 39 R HN 0.508 nan 8.270 nan 0.000 0.437 40 D N 0.165 120.561 120.400 -0.007 0.000 2.097 40 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 40 D C 1.986 178.283 176.300 -0.004 0.000 0.989 40 D CA 1.178 55.175 54.000 -0.005 0.000 0.827 40 D CB -0.159 40.639 40.800 -0.003 0.000 0.966 40 D HN 0.191 nan 8.370 nan 0.000 0.456 41 R N 0.062 120.561 120.500 -0.001 0.000 2.091 41 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 41 R C 2.563 178.864 176.300 0.000 0.000 1.136 41 R CA 1.087 57.188 56.100 0.003 0.000 0.959 41 R CB -0.518 29.786 30.300 0.006 0.000 0.856 41 R HN 0.237 nan 8.270 nan 0.000 0.437 42 C N -0.172 119.126 119.300 -0.005 0.000 2.446 42 C HA -0.023 4.437 4.460 -0.000 0.000 0.277 42 C C 2.595 177.571 174.990 -0.022 0.000 1.275 42 C CA 0.419 59.431 59.018 -0.011 0.000 1.727 42 C CB -0.802 26.928 27.740 -0.016 0.000 2.010 42 C HN 0.459 nan 8.230 nan 0.000 0.486 43 R N 0.846 121.332 120.500 -0.023 0.000 2.096 43 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 43 R C 2.358 178.643 176.300 -0.024 0.000 1.127 43 R CA 1.600 57.684 56.100 -0.028 0.000 0.968 43 R CB -0.414 29.873 30.300 -0.021 0.000 0.861 43 R HN 0.562 nan 8.270 nan 0.000 0.440 44 A N -0.113 122.698 122.820 -0.015 0.000 1.930 44 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 44 A C 2.132 179.706 177.584 -0.017 0.000 1.175 44 A CA 1.773 53.803 52.037 -0.011 0.000 0.627 44 A CB -0.495 18.504 19.000 -0.001 0.000 0.815 44 A HN 0.307 nan 8.150 nan 0.000 0.443 45 S N -0.810 114.882 115.700 -0.014 0.000 2.383 45 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 45 S C 2.002 176.555 174.600 -0.077 0.000 1.026 45 S CA 1.499 59.688 58.200 -0.017 0.000 0.981 45 S CB -0.319 62.892 63.200 0.018 0.000 0.818 45 S HN 0.673 nan 8.310 nan 0.000 0.472 46 E N 0.340 120.500 120.200 -0.068 0.000 2.085 46 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 46 E C 2.050 178.600 176.600 -0.084 0.000 0.994 46 E CA 1.085 57.433 56.400 -0.087 0.000 0.801 46 E CB -0.336 29.319 29.700 -0.075 0.000 0.743 46 E HN 0.612 nan 8.360 nan 0.000 0.453 47 A N 1.106 123.890 122.820 -0.059 0.000 1.930 47 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 47 A C 2.127 179.670 177.584 -0.068 0.000 1.175 47 A CA 1.111 53.120 52.037 -0.047 0.000 0.627 47 A CB -0.343 18.642 19.000 -0.026 0.000 0.815 47 A HN 0.155 nan 8.150 nan 0.000 0.443 48 R N -1.152 119.295 120.500 -0.087 0.000 2.092 48 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 48 R C 2.098 178.266 176.300 -0.220 0.000 1.119 48 R CA 1.381 57.420 56.100 -0.102 0.000 0.970 48 R CB -0.544 29.723 30.300 -0.054 0.000 0.864 48 R HN 0.506 nan 8.270 nan 0.000 0.440 49 L N 0.520 121.521 121.223 -0.370 0.000 2.046 49 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 49 L C 2.093 178.820 176.870 -0.238 0.000 1.077 49 L CA 2.091 56.613 54.840 -0.531 0.000 0.747 49 L CB -0.971 40.771 42.059 -0.528 0.000 0.896 49 L HN 0.148 nan 8.230 nan 0.000 0.432 50 G N -0.990 107.728 108.800 -0.137 0.000 2.418 50 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 50 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 50 G C 1.580 176.450 174.900 -0.049 0.000 1.158 50 G CA 0.824 45.886 45.100 -0.064 0.000 0.771 50 G HN 0.649 nan 8.290 nan 0.000 0.545 51 A N 0.033 122.822 122.820 -0.052 0.000 1.898 51 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 51 A C 2.579 180.157 177.584 -0.009 0.000 1.181 51 A CA 1.609 53.633 52.037 -0.023 0.000 0.620 51 A CB -0.557 18.434 19.000 -0.014 0.000 0.819 51 A HN 0.237 nan 8.150 nan 0.000 0.442 52 V N 0.273 120.172 119.914 -0.025 0.000 2.407 52 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 52 V C 2.394 178.510 176.094 0.036 0.000 1.055 52 V CA 2.063 64.380 62.300 0.028 0.000 1.049 52 V CB -0.598 31.252 31.823 0.045 0.000 0.662 52 V HN 0.572 nan 8.190 nan 0.000 0.455 53 I N -0.575 119.996 120.570 0.002 0.000 2.233 53 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 53 I C 2.720 178.844 176.117 0.012 0.000 1.093 53 I CA 1.498 62.806 61.300 0.013 0.000 1.380 53 I CB -0.445 37.553 38.000 -0.005 0.000 1.067 53 I HN 0.193 nan 8.210 nan 0.000 0.413 54 R N 1.412 121.913 120.500 0.002 0.000 2.105 54 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 54 R C 1.691 177.997 176.300 0.011 0.000 1.135 54 R CA 1.712 57.814 56.100 0.002 0.000 0.967 54 R CB -0.070 30.229 30.300 -0.002 0.000 0.861 54 R HN 0.434 nan 8.270 nan 0.000 0.442 55 E N -0.515 119.697 120.200 0.020 0.000 2.502 55 E HA 0.085 4.435 4.350 -0.000 0.000 0.194 55 E C 0.347 176.968 176.600 0.036 0.000 1.062 55 E CA 0.386 56.803 56.400 0.027 0.000 0.867 55 E CB 0.431 30.151 29.700 0.035 0.000 0.888 55 E HN 0.455 nan 8.360 nan 0.000 0.510 56 A N 2.090 124.932 122.820 0.037 0.000 2.822 56 A HA -0.227 4.093 4.320 -0.000 0.000 0.287 56 A C 0.094 177.719 177.584 0.068 0.000 1.479 56 A CA 0.564 52.626 52.037 0.041 0.000 0.779 56 A CB -1.337 17.676 19.000 0.022 0.000 1.022 56 A HN 0.140 nan 8.150 nan 0.000 0.532 57 R N 0.141 120.699 120.500 0.096 0.000 2.643 57 R HA 0.115 4.455 4.340 -0.000 0.000 0.270 57 R C 0.525 176.943 176.300 0.196 0.000 1.061 57 R CA -0.083 56.099 56.100 0.137 0.000 1.107 57 R CB 0.083 30.474 30.300 0.152 0.000 0.999 57 R HN 0.720 nan 8.270 nan 0.000 0.460 58 H N 1.788 120.901 119.070 0.073 0.000 3.160 58 H HA 0.228 4.784 4.556 -0.000 0.000 0.257 58 H C -0.907 174.493 175.328 0.119 0.000 1.140 58 H CA -0.388 55.694 56.048 0.057 0.000 1.492 58 H CB 0.232 30.002 29.762 0.014 0.000 1.529 58 H HN 0.051 nan 8.280 nan 0.000 0.490 59 V N 6.352 126.467 119.914 0.335 0.000 2.686 59 V HA 0.003 4.123 4.120 -0.000 0.000 0.306 59 V C -0.757 175.570 176.094 0.388 0.000 1.065 59 V CA -1.017 61.514 62.300 0.386 0.000 0.894 59 V CB 1.376 33.420 31.823 0.368 0.000 1.004 59 V HN 0.662 nan 8.190 nan 0.000 0.424 60 Y N 3.636 124.183 120.300 0.412 0.000 2.805 60 Y HA 0.353 4.903 4.550 -0.000 0.000 0.331 60 Y C 1.380 177.380 175.900 0.165 0.000 1.241 60 Y CA 1.915 60.149 58.100 0.224 0.000 1.546 60 Y CB 0.543 39.184 38.460 0.301 0.000 1.248 60 Y HN 1.074 nan 8.280 nan 0.000 0.559 61 G N 4.135 112.646 108.800 -0.483 0.000 2.205 61 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.261 61 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.261 61 G C 0.614 175.484 174.900 -0.050 0.000 0.980 61 G CA 0.613 45.540 45.100 -0.289 0.000 0.632 61 G HN 0.671 nan 8.290 nan 0.000 0.533 62 L N -0.240 120.992 121.223 0.014 0.000 2.577 62 L HA 0.276 4.616 4.340 -0.000 0.000 0.225 62 L C 2.177 179.057 176.870 0.017 0.000 1.053 62 L CA 1.560 56.436 54.840 0.060 0.000 0.866 62 L CB 0.455 42.599 42.059 0.142 0.000 1.132 62 L HN 0.443 nan 8.230 nan 0.000 0.486 63 T N -4.022 110.541 114.554 0.014 0.000 3.332 63 T HA 0.189 4.539 4.350 -0.000 0.000 0.304 63 T C 0.260 174.925 174.700 -0.058 0.000 0.971 63 T CA 0.080 62.175 62.100 -0.007 0.000 0.954 63 T CB 0.068 68.962 68.868 0.044 0.000 1.175 63 T HN 0.190 nan 8.240 nan 0.000 0.519 64 T N -1.898 112.569 114.554 -0.144 0.000 2.841 64 T HA 0.778 5.128 4.350 -0.000 0.000 0.296 64 T C 0.502 174.921 174.700 -0.468 0.000 1.166 64 T CA -0.307 61.673 62.100 -0.201 0.000 1.007 64 T CB 1.440 70.274 68.868 -0.058 0.000 1.253 64 T HN 0.286 nan 8.240 nan 0.000 0.511 65 G N -0.207 108.363 108.800 -0.384 0.000 2.553 65 G HA2 0.571 4.531 3.960 -0.000 0.000 0.278 65 G HA3 0.571 4.531 3.960 -0.000 0.000 0.278 65 G C -1.055 173.423 174.900 -0.704 0.000 1.349 65 G CA -0.820 43.981 45.100 -0.498 0.000 1.037 65 G HN 0.550 nan 8.290 nan 0.000 0.508 66 F N -0.798 119.109 119.950 -0.072 0.000 2.483 66 F HA 0.596 5.123 4.527 0.000 0.000 0.329 66 F C 1.241 177.147 175.800 0.176 0.000 1.064 66 F CA 0.444 58.465 58.000 0.035 0.000 0.986 66 F CB 1.330 40.424 39.000 0.157 0.000 1.218 66 F HN 1.006 nan 8.300 nan 0.000 0.484 67 G N 1.793 110.929 108.800 0.560 0.000 2.634 67 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.309 67 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.309 67 G C -1.841 173.185 174.900 0.211 0.000 1.265 67 G CA 0.044 45.327 45.100 0.305 0.000 0.998 67 G HN 0.522 nan 8.290 nan 0.000 0.551 68 P HA 0.141 nan 4.420 nan 0.000 0.226 68 P C 1.765 179.101 177.300 0.060 0.000 1.153 68 P CA 0.797 63.944 63.100 0.077 0.000 0.777 68 P CB -0.069 31.659 31.700 0.048 0.000 0.794 69 L N -1.455 119.801 121.223 0.055 0.000 2.599 69 L HA 0.149 4.489 4.340 -0.000 0.000 0.230 69 L C 2.061 178.928 176.870 -0.004 0.000 1.141 69 L CA 0.187 55.032 54.840 0.009 0.000 0.877 69 L CB -0.728 41.316 42.059 -0.024 0.000 1.009 69 L HN -0.046 nan 8.230 nan 0.000 0.447 70 A N 1.399 124.253 122.820 0.057 0.000 2.178 70 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 70 A C 1.987 179.602 177.584 0.051 0.000 1.157 70 A CA 1.436 53.509 52.037 0.060 0.000 0.689 70 A CB -0.539 18.609 19.000 0.247 0.000 0.787 70 A HN 0.656 nan 8.150 nan 0.000 0.465 71 N N -0.500 118.221 118.700 0.035 0.000 2.515 71 N HA -0.050 4.690 4.740 -0.000 0.000 0.185 71 N C 0.085 175.585 175.510 -0.018 0.000 1.109 71 N CA 0.292 53.355 53.050 0.021 0.000 0.903 71 N CB -0.222 38.276 38.487 0.019 0.000 0.969 71 N HN 0.191 nan 8.380 nan 0.000 0.450 72 R N 1.085 121.564 120.500 -0.036 0.000 2.196 72 R HA 0.376 4.715 4.340 -0.000 0.000 0.340 72 R C -0.194 176.056 176.300 -0.083 0.000 1.043 72 R CA -0.250 55.816 56.100 -0.057 0.000 0.883 72 R CB 0.664 30.928 30.300 -0.060 0.000 1.078 72 R HN 0.161 nan 8.270 nan 0.000 0.462 73 L N 4.238 125.407 121.223 -0.091 0.000 2.371 73 L HA 0.375 4.715 4.340 -0.000 0.000 0.272 73 L C 0.125 176.938 176.870 -0.095 0.000 1.124 73 L CA -0.460 54.311 54.840 -0.115 0.000 0.816 73 L CB 0.622 42.590 42.059 -0.153 0.000 1.129 73 L HN 0.353 nan 8.230 nan 0.000 0.448 74 I N 1.502 122.015 120.570 -0.095 0.000 2.441 74 I HA 0.226 4.396 4.170 -0.000 0.000 0.295 74 I C 0.413 176.497 176.117 -0.055 0.000 0.994 74 I CA -0.217 61.038 61.300 -0.076 0.000 1.144 74 I CB 1.702 39.647 38.000 -0.091 0.000 1.314 74 I HN 0.541 nan 8.210 nan 0.000 0.445 75 S N 3.084 118.759 115.700 -0.041 0.000 2.580 75 S HA 0.352 4.822 4.470 -0.000 0.000 0.274 75 S C 1.476 176.063 174.600 -0.022 0.000 1.329 75 S CA 0.177 58.359 58.200 -0.030 0.000 1.036 75 S CB 1.257 64.441 63.200 -0.025 0.000 0.919 75 S HN 0.877 nan 8.310 nan 0.000 0.515 76 G N 2.921 111.712 108.800 -0.015 0.000 2.513 76 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 76 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 76 G C 1.288 176.182 174.900 -0.010 0.000 1.160 76 G CA 1.212 46.306 45.100 -0.010 0.000 0.767 76 G HN 0.916 nan 8.290 nan 0.000 0.571 77 E N 0.887 121.081 120.200 -0.011 0.000 2.333 77 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 77 E C 1.087 177.683 176.600 -0.007 0.000 1.007 77 E CA 0.888 57.282 56.400 -0.010 0.000 0.845 77 E CB -0.386 29.308 29.700 -0.009 0.000 0.766 77 E HN 0.416 nan 8.360 nan 0.000 0.507 78 N N 0.760 119.456 118.700 -0.008 0.000 2.230 78 N HA 0.056 4.796 4.740 -0.000 0.000 0.202 78 N C 1.486 176.997 175.510 0.002 0.000 1.119 78 N CA 0.140 53.188 53.050 -0.003 0.000 0.851 78 N CB 0.898 39.381 38.487 -0.007 0.000 0.990 78 N HN 0.032 nan 8.380 nan 0.000 0.497 79 V N 1.096 121.011 119.914 0.001 0.000 2.427 79 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 79 V C 2.375 178.483 176.094 0.023 0.000 1.051 79 V CA 1.327 63.633 62.300 0.010 0.000 1.048 79 V CB -0.199 31.630 31.823 0.010 0.000 0.666 79 V HN 0.211 nan 8.190 nan 0.000 0.456 80 R N 0.385 120.893 120.500 0.012 0.000 2.070 80 R HA -0.120 4.220 4.340 -0.000 0.000 0.233 80 R C 2.383 178.690 176.300 0.012 0.000 1.137 80 R CA 2.009 58.114 56.100 0.008 0.000 0.945 80 R CB -1.563 28.736 30.300 -0.002 0.000 0.845 80 R HN 0.522 nan 8.270 nan 0.000 0.430 81 T N 2.525 117.090 114.554 0.018 0.000 2.746 81 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 81 T C 1.904 176.637 174.700 0.054 0.000 1.039 81 T CA 1.218 63.335 62.100 0.028 0.000 1.142 81 T CB -0.341 68.546 68.868 0.031 0.000 0.866 81 T HN 0.091 nan 8.240 nan 0.000 0.444 82 L N 1.375 122.639 121.223 0.068 0.000 1.970 82 L HA -0.160 4.179 4.340 -0.000 0.000 0.212 82 L C 2.438 179.439 176.870 0.219 0.000 1.071 82 L CA 1.860 56.781 54.840 0.135 0.000 0.751 82 L CB -0.713 41.387 42.059 0.069 0.000 0.889 82 L HN 0.250 nan 8.230 nan 0.000 0.432 83 Q N -0.811 119.076 119.800 0.146 0.000 2.291 83 Q HA -0.081 4.259 4.340 -0.000 0.000 0.205 83 Q C 2.159 178.134 176.000 -0.042 0.000 0.970 83 Q CA 1.109 56.972 55.803 0.100 0.000 0.876 83 Q CB -0.276 28.506 28.738 0.074 0.000 0.935 83 Q HN 0.715 nan 8.270 nan 0.000 0.455 84 A N 1.689 124.469 122.820 -0.067 0.000 1.897 84 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 84 A C 1.759 179.128 177.584 -0.358 0.000 1.181 84 A CA 1.177 53.079 52.037 -0.224 0.000 0.620 84 A CB -0.249 18.656 19.000 -0.159 0.000 0.821 84 A HN 0.251 nan 8.150 nan 0.000 0.443 85 N N -0.109 118.542 118.700 -0.083 0.000 2.309 85 N HA -0.102 4.637 4.740 -0.000 0.000 0.182 85 N C 1.561 177.140 175.510 0.115 0.000 1.018 85 N CA 1.207 54.310 53.050 0.089 0.000 0.876 85 N CB -0.502 38.120 38.487 0.224 0.000 0.972 85 N HN 0.446 nan 8.380 nan 0.000 0.434 86 L N 1.044 122.251 121.223 -0.027 0.000 1.970 86 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 86 L C 1.974 178.421 176.870 -0.705 0.000 1.071 86 L CA 1.498 56.058 54.840 -0.466 0.000 0.751 86 L CB -0.790 40.922 42.059 -0.578 0.000 0.889 86 L HN -0.110 nan 8.230 nan 0.000 0.432 87 V N -0.238 119.407 119.914 -0.449 0.000 2.392 87 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 87 V C 2.395 178.307 176.094 -0.302 0.000 1.059 87 V CA 2.265 64.329 62.300 -0.392 0.000 1.051 87 V CB -1.064 30.578 31.823 -0.301 0.000 0.658 87 V HN 0.635 nan 8.190 nan 0.000 0.455 88 H N -0.359 118.575 119.070 -0.226 0.000 2.270 88 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 88 H C 2.237 177.497 175.328 -0.113 0.000 1.077 88 H CA 1.940 57.909 56.048 -0.133 0.000 1.294 88 H CB -0.281 29.471 29.762 -0.017 0.000 1.371 88 H HN 0.608 nan 8.280 nan 0.000 0.491 89 F N 0.685 120.662 119.950 0.046 0.000 2.365 89 F HA -0.039 4.488 4.527 -0.000 0.000 0.300 89 F C 1.669 177.437 175.800 -0.052 0.000 1.090 89 F CA 0.813 58.809 58.000 -0.006 0.000 1.408 89 F CB -0.740 38.261 39.000 0.001 0.000 1.060 89 F HN 0.008 nan 8.300 nan 0.000 0.534 90 L N 0.622 121.469 121.223 -0.626 0.000 2.418 90 L HA 0.198 4.538 4.340 -0.000 0.000 0.218 90 L C 1.856 178.561 176.870 -0.274 0.000 1.125 90 L CA 0.436 54.994 54.840 -0.471 0.000 0.835 90 L CB -0.665 40.999 42.059 -0.657 0.000 0.953 90 L HN 0.282 nan 8.230 nan 0.000 0.454 91 A N 0.014 122.643 122.820 -0.319 0.000 3.074 91 A HA 0.167 4.487 4.320 -0.000 0.000 0.251 91 A C 1.214 178.741 177.584 -0.095 0.000 1.695 91 A CA 0.228 51.956 52.037 -0.516 0.000 1.343 91 A CB -0.613 18.014 19.000 -0.622 0.000 1.078 91 A HN 0.355 nan 8.150 nan 0.000 0.644 92 S N -0.559 115.185 115.700 0.073 0.000 2.602 92 S HA 0.364 4.834 4.470 -0.000 0.000 0.240 92 S C 0.903 175.603 174.600 0.167 0.000 0.992 92 S CA 0.093 58.367 58.200 0.123 0.000 0.971 92 S CB 0.066 63.315 63.200 0.082 0.000 0.855 92 S HN 0.764 nan 8.310 nan 0.000 0.481 93 G N 1.575 110.574 108.800 0.331 0.000 2.544 93 G HA2 0.492 4.452 3.960 -0.000 0.000 0.242 93 G HA3 0.492 4.452 3.960 -0.000 0.000 0.242 93 G C -0.093 174.790 174.900 -0.028 0.000 1.247 93 G CA 0.158 45.316 45.100 0.098 0.000 0.840 93 G HN 1.020 nan 8.290 nan 0.000 0.578 94 V N -0.990 118.895 119.914 -0.049 0.000 3.165 94 V HA 1.034 5.154 4.120 -0.000 0.000 0.309 94 V C 0.588 176.648 176.094 -0.057 0.000 1.267 94 V CA -0.096 62.173 62.300 -0.051 0.000 1.067 94 V CB 1.082 32.896 31.823 -0.015 0.000 1.082 94 V HN 2.575 nan 8.190 nan 0.000 0.451 95 G N 0.292 109.066 108.800 -0.043 0.000 2.707 95 G HA2 0.061 4.021 3.960 -0.000 0.000 0.686 95 G HA3 0.061 4.021 3.960 -0.000 0.000 0.686 95 G C -2.755 172.120 174.900 -0.041 0.000 1.315 95 G CA -0.302 44.778 45.100 -0.034 0.000 0.832 95 G HN 1.118 nan 8.290 nan 0.000 0.573 96 P HA 0.392 nan 4.420 nan 0.000 0.267 96 P C 0.891 178.173 177.300 -0.030 0.000 1.200 96 P CA 0.451 63.538 63.100 -0.021 0.000 0.772 96 P CB 0.757 32.455 31.700 -0.005 0.000 0.855 97 V N 1.557 121.453 119.914 -0.030 0.000 2.963 97 V HA 0.130 4.250 4.120 -0.000 0.000 0.306 97 V C 0.650 176.738 176.094 -0.010 0.000 1.077 97 V CA -0.609 61.669 62.300 -0.036 0.000 1.124 97 V CB -0.521 31.285 31.823 -0.028 0.000 0.987 97 V HN 0.295 nan 8.190 nan 0.000 0.487 98 L N 2.855 124.068 121.223 -0.016 0.000 2.461 98 L HA 0.251 4.591 4.340 -0.000 0.000 0.272 98 L C 0.662 177.553 176.870 0.035 0.000 1.197 98 L CA -0.210 54.633 54.840 0.005 0.000 0.836 98 L CB 0.235 42.287 42.059 -0.011 0.000 1.105 98 L HN 1.035 nan 8.230 nan 0.000 0.477 99 D N 0.130 120.566 120.400 0.060 0.000 2.361 99 D HA -0.124 4.516 4.640 -0.000 0.000 0.239 99 D C 0.723 177.113 176.300 0.150 0.000 1.200 99 D CA -0.410 53.658 54.000 0.114 0.000 0.915 99 D CB 0.503 41.376 40.800 0.121 0.000 1.170 99 D HN 0.543 nan 8.370 nan 0.000 0.444 100 W N 1.143 122.447 121.300 0.006 0.000 2.290 100 W HA -0.305 4.355 4.660 -0.000 0.000 0.323 100 W C 2.192 178.706 176.519 -0.009 0.000 1.260 100 W CA 2.849 60.197 57.345 0.005 0.000 1.266 100 W CB -0.830 28.634 29.460 0.008 0.000 1.149 100 W HN 0.452 nan 8.180 nan 0.000 0.482 101 T N -0.365 114.301 114.554 0.186 0.000 2.708 101 T HA -0.210 4.140 4.350 -0.000 0.000 0.266 101 T C 1.576 176.199 174.700 -0.128 0.000 1.037 101 T CA 2.325 64.391 62.100 -0.057 0.000 1.146 101 T CB -0.936 67.991 68.868 0.099 0.000 0.865 101 T HN 0.181 nan 8.240 nan 0.000 0.435 102 T N 2.017 116.555 114.554 -0.026 0.000 2.746 102 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 102 T C 2.429 177.086 174.700 -0.073 0.000 1.039 102 T CA 1.133 63.218 62.100 -0.025 0.000 1.142 102 T CB -0.556 68.324 68.868 0.021 0.000 0.866 102 T HN 0.431 nan 8.240 nan 0.000 0.444 103 A N 1.728 124.493 122.820 -0.091 0.000 1.902 103 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 103 A C 2.375 179.857 177.584 -0.170 0.000 1.181 103 A CA 1.454 53.424 52.037 -0.112 0.000 0.623 103 A CB -0.470 18.470 19.000 -0.101 0.000 0.818 103 A HN 0.409 nan 8.150 nan 0.000 0.443 104 R N -0.606 119.725 120.500 -0.283 0.000 2.115 104 R HA 0.015 4.355 4.340 -0.000 0.000 0.230 104 R C 2.417 178.586 176.300 -0.218 0.000 1.111 104 R CA 1.021 56.929 56.100 -0.321 0.000 0.976 104 R CB -0.406 29.551 30.300 -0.572 0.000 0.870 104 R HN 0.505 nan 8.270 nan 0.000 0.445 105 A N 1.140 123.850 122.820 -0.183 0.000 1.933 105 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 105 A C 2.114 179.646 177.584 -0.086 0.000 1.175 105 A CA 1.350 53.315 52.037 -0.119 0.000 0.628 105 A CB -0.446 18.509 19.000 -0.074 0.000 0.814 105 A HN 0.332 nan 8.150 nan 0.000 0.444 106 M N -0.283 119.268 119.600 -0.081 0.000 2.099 106 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 106 M C 1.897 178.158 176.300 -0.065 0.000 1.067 106 M CA 1.984 57.248 55.300 -0.060 0.000 1.124 106 M CB -0.243 32.325 32.600 -0.054 0.000 1.353 106 M HN 0.192 nan 8.290 nan 0.000 0.410 107 V N 1.102 120.966 119.914 -0.082 0.000 2.287 107 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 107 V C 2.424 178.477 176.094 -0.068 0.000 1.053 107 V CA 1.862 64.118 62.300 -0.074 0.000 1.027 107 V CB -1.000 30.771 31.823 -0.087 0.000 0.646 107 V HN 0.593 nan 8.190 nan 0.000 0.447 108 L N 0.842 122.015 121.223 -0.083 0.000 2.046 108 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 108 L C 2.460 179.294 176.870 -0.061 0.000 1.077 108 L CA 2.326 57.121 54.840 -0.075 0.000 0.747 108 L CB -0.965 41.041 42.059 -0.089 0.000 0.896 108 L HN 0.217 nan 8.230 nan 0.000 0.432 109 A N -0.348 122.437 122.820 -0.057 0.000 1.908 109 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 109 A C 2.470 180.030 177.584 -0.039 0.000 1.181 109 A CA 1.976 53.984 52.037 -0.048 0.000 0.627 109 A CB -0.645 18.331 19.000 -0.041 0.000 0.818 109 A HN 0.492 nan 8.150 nan 0.000 0.445 110 R N -0.704 119.775 120.500 -0.035 0.000 2.075 110 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 110 R C 1.943 178.229 176.300 -0.024 0.000 1.126 110 R CA 1.559 57.644 56.100 -0.025 0.000 0.963 110 R CB -0.670 29.615 30.300 -0.025 0.000 0.858 110 R HN 0.437 nan 8.270 nan 0.000 0.435 111 L N -0.110 121.094 121.223 -0.032 0.000 2.046 111 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 111 L C 1.930 178.783 176.870 -0.029 0.000 1.077 111 L CA 1.636 56.458 54.840 -0.030 0.000 0.747 111 L CB -0.486 41.551 42.059 -0.037 0.000 0.896 111 L HN 0.079 nan 8.230 nan 0.000 0.432 112 V N -1.114 118.778 119.914 -0.037 0.000 2.407 112 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 112 V C 2.757 178.834 176.094 -0.029 0.000 1.055 112 V CA 1.768 64.044 62.300 -0.040 0.000 1.049 112 V CB -0.806 30.982 31.823 -0.059 0.000 0.662 112 V HN 0.641 nan 8.190 nan 0.000 0.455 113 S N -0.236 115.449 115.700 -0.025 0.000 2.356 113 S HA -0.169 4.301 4.470 -0.000 0.000 0.223 113 S C 1.941 176.539 174.600 -0.003 0.000 1.032 113 S CA 1.801 59.992 58.200 -0.015 0.000 1.005 113 S CB -0.365 62.829 63.200 -0.010 0.000 0.867 113 S HN 0.516 nan 8.310 nan 0.000 0.449 114 I N 1.728 122.297 120.570 -0.001 0.000 2.286 114 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 114 I C 2.724 178.844 176.117 0.004 0.000 1.115 114 I CA 1.068 62.373 61.300 0.008 0.000 1.392 114 I CB -0.512 37.489 38.000 0.001 0.000 1.065 114 I HN 0.388 nan 8.210 nan 0.000 0.418 115 A N 0.135 122.952 122.820 -0.005 0.000 2.076 115 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 115 A C 2.114 179.699 177.584 0.002 0.000 1.160 115 A CA 1.311 53.345 52.037 -0.005 0.000 0.653 115 A CB -0.366 18.628 19.000 -0.011 0.000 0.801 115 A HN 0.429 nan 8.150 nan 0.000 0.455 116 Q N -1.270 118.533 119.800 0.005 0.000 2.436 116 Q HA 0.075 4.415 4.340 -0.000 0.000 0.209 116 Q C 1.262 177.271 176.000 0.016 0.000 0.965 116 Q CA 0.847 56.656 55.803 0.009 0.000 0.910 116 Q CB -0.585 28.156 28.738 0.006 0.000 0.980 116 Q HN 1.106 nan 8.270 nan 0.000 0.491 117 G N 0.361 109.174 108.800 0.021 0.000 2.204 117 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 117 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 117 G C 0.444 175.377 174.900 0.056 0.000 1.062 117 G CA 0.384 45.502 45.100 0.030 0.000 0.798 117 G HN 0.536 nan 8.290 nan 0.000 0.496 118 A N -0.986 121.879 122.820 0.075 0.000 2.635 118 A HA 0.729 5.049 4.320 -0.000 0.000 0.279 118 A C 1.615 179.328 177.584 0.216 0.000 1.122 118 A CA 1.365 53.477 52.037 0.126 0.000 0.965 118 A CB 0.271 19.307 19.000 0.059 0.000 1.221 118 A HN 0.763 nan 8.150 nan 0.000 0.566 119 S N -1.074 114.740 115.700 0.189 0.000 2.502 119 S HA 0.359 4.829 4.470 -0.000 0.000 0.215 119 S C 1.542 176.299 174.600 0.261 0.000 1.009 119 S CA 0.712 59.052 58.200 0.234 0.000 0.908 119 S CB 0.382 63.651 63.200 0.115 0.000 0.801 119 S HN 1.674 nan 8.310 nan 0.000 0.505 120 G N 1.875 110.746 108.800 0.118 0.000 2.148 120 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.254 120 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.254 120 G C 0.208 175.082 174.900 -0.043 0.000 0.981 120 G CA 0.035 45.100 45.100 -0.059 0.000 0.670 120 G HN 0.885 nan 8.290 nan 0.000 0.528 121 A N 0.468 123.285 122.820 -0.005 0.000 2.520 121 A HA 0.616 4.936 4.320 -0.000 0.000 0.245 121 A C 1.148 178.681 177.584 -0.084 0.000 1.072 121 A CA 0.992 53.011 52.037 -0.031 0.000 0.761 121 A CB 0.198 19.189 19.000 -0.014 0.000 1.004 121 A HN 2.026 nan 8.150 nan 0.000 0.499 122 S N 1.916 117.528 115.700 -0.148 0.000 2.593 122 S HA 0.150 4.620 4.470 -0.000 0.000 0.269 122 S C 0.708 175.195 174.600 -0.188 0.000 1.334 122 S CA 0.159 58.198 58.200 -0.267 0.000 1.015 122 S CB 0.589 63.415 63.200 -0.624 0.000 0.912 122 S HN 0.715 nan 8.310 nan 0.000 0.541 123 E N 1.851 121.946 120.200 -0.175 0.000 2.118 123 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 123 E C 2.125 178.670 176.600 -0.091 0.000 0.992 123 E CA 1.217 57.554 56.400 -0.105 0.000 0.804 123 E CB -0.768 28.884 29.700 -0.080 0.000 0.741 123 E HN 0.896 nan 8.360 nan 0.000 0.458 124 G N 0.667 109.397 108.800 -0.118 0.000 2.408 124 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 124 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 124 G C 1.634 176.503 174.900 -0.052 0.000 1.150 124 G CA 1.200 46.260 45.100 -0.067 0.000 0.776 124 G HN 0.174 nan 8.290 nan 0.000 0.542 125 T N 1.245 115.755 114.554 -0.074 0.000 2.777 125 T HA -0.015 4.334 4.350 -0.000 0.000 0.266 125 T C 2.384 177.063 174.700 -0.034 0.000 1.040 125 T CA 0.816 62.890 62.100 -0.044 0.000 1.141 125 T CB -0.129 68.710 68.868 -0.048 0.000 0.868 125 T HN 0.242 nan 8.240 nan 0.000 0.444 126 I N 1.310 121.854 120.570 -0.044 0.000 2.226 126 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 126 I C 2.885 178.986 176.117 -0.026 0.000 1.100 126 I CA 1.000 62.281 61.300 -0.033 0.000 1.374 126 I CB -0.441 37.537 38.000 -0.036 0.000 1.057 126 I HN 0.184 nan 8.210 nan 0.000 0.413 127 A N 0.813 123.617 122.820 -0.027 0.000 1.933 127 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 127 A C 2.338 179.916 177.584 -0.011 0.000 1.175 127 A CA 1.322 53.347 52.037 -0.019 0.000 0.628 127 A CB -0.402 18.587 19.000 -0.019 0.000 0.814 127 A HN 0.253 nan 8.150 nan 0.000 0.444 128 R N -0.219 120.277 120.500 -0.007 0.000 2.096 128 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 128 R C 2.041 178.345 176.300 0.008 0.000 1.127 128 R CA 1.221 57.325 56.100 0.008 0.000 0.968 128 R CB -1.013 29.297 30.300 0.015 0.000 0.861 128 R HN 0.602 nan 8.270 nan 0.000 0.440 129 L N 0.156 121.376 121.223 -0.005 0.000 2.056 129 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 129 L C 2.498 179.356 176.870 -0.019 0.000 1.078 129 L CA 1.081 55.913 54.840 -0.013 0.000 0.749 129 L CB -0.457 41.589 42.059 -0.022 0.000 0.901 129 L HN 0.061 nan 8.230 nan 0.000 0.433 130 I N -0.067 120.491 120.570 -0.019 0.000 2.226 130 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 130 I C 2.142 178.249 176.117 -0.017 0.000 1.100 130 I CA 1.171 62.458 61.300 -0.022 0.000 1.374 130 I CB -0.380 37.608 38.000 -0.019 0.000 1.057 130 I HN 0.265 nan 8.210 nan 0.000 0.413 131 D N 0.770 121.164 120.400 -0.010 0.000 2.104 131 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 131 D C 2.142 178.439 176.300 -0.005 0.000 0.994 131 D CA 0.989 54.984 54.000 -0.007 0.000 0.830 131 D CB -0.371 40.426 40.800 -0.005 0.000 0.959 131 D HN 0.154 nan 8.370 nan 0.000 0.452 132 L N 0.877 122.103 121.223 0.005 0.000 2.012 132 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 132 L C 2.170 179.028 176.870 -0.020 0.000 1.073 132 L CA 1.452 56.303 54.840 0.017 0.000 0.748 132 L CB -0.927 41.159 42.059 0.044 0.000 0.891 132 L HN 0.099 nan 8.230 nan 0.000 0.431 133 L N 0.148 121.345 121.223 -0.044 0.000 2.191 133 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 133 L C 1.909 178.753 176.870 -0.043 0.000 1.103 133 L CA 0.908 55.703 54.840 -0.075 0.000 0.769 133 L CB -0.556 41.458 42.059 -0.076 0.000 0.908 133 L HN 0.383 nan 8.230 nan 0.000 0.438 134 N N -0.593 118.096 118.700 -0.018 0.000 2.412 134 N HA -0.005 4.735 4.740 -0.000 0.000 0.184 134 N C 0.855 176.377 175.510 0.020 0.000 1.101 134 N CA 0.349 53.399 53.050 0.000 0.000 0.881 134 N CB 0.213 38.698 38.487 -0.003 0.000 0.969 134 N HN 0.331 nan 8.380 nan 0.000 0.459 135 S N -0.005 115.710 115.700 0.024 0.000 2.713 135 S HA 0.294 4.764 4.470 -0.000 0.000 0.277 135 S C 0.749 175.425 174.600 0.126 0.000 1.168 135 S CA -0.464 57.763 58.200 0.045 0.000 0.994 135 S CB 1.444 64.653 63.200 0.015 0.000 1.054 135 S HN -0.083 nan 8.310 nan 0.000 0.555 136 E N 0.118 120.414 120.200 0.160 0.000 2.444 136 E HA 0.350 4.699 4.350 -0.000 0.000 0.191 136 E C -0.149 176.742 176.600 0.485 0.000 1.041 136 E CA 0.003 56.584 56.400 0.302 0.000 0.883 136 E CB -0.246 29.532 29.700 0.131 0.000 1.024 136 E HN 0.505 nan 8.360 nan 0.000 0.470 137 L N -0.199 121.236 121.223 0.354 0.000 2.304 137 L HA 0.772 5.112 4.340 -0.000 0.000 0.268 137 L C -0.036 176.980 176.870 0.244 0.000 1.010 137 L CA -1.130 53.952 54.840 0.402 0.000 0.813 137 L CB 1.577 43.738 42.059 0.169 0.000 1.315 137 L HN -0.168 nan 8.230 nan 0.000 0.445 138 A N 0.902 123.883 122.820 0.269 0.000 2.515 138 A HA 0.822 5.142 4.320 -0.000 0.000 0.298 138 A C -2.822 174.849 177.584 0.145 0.000 1.059 138 A CA -1.393 50.648 52.037 0.005 0.000 0.698 138 A CB 1.901 20.713 19.000 -0.312 0.000 1.289 138 A HN 0.372 nan 8.150 nan 0.000 0.404 139 P HA 0.399 nan 4.420 nan 0.000 0.275 139 P C -0.395 176.822 177.300 -0.139 0.000 1.228 139 P CA 0.038 63.000 63.100 -0.231 0.000 0.786 139 P CB 1.348 32.910 31.700 -0.230 0.000 0.927 140 A N 3.133 125.847 122.820 -0.177 0.000 2.366 140 A HA 0.516 4.836 4.320 -0.000 0.000 0.322 140 A C 0.163 177.678 177.584 -0.115 0.000 1.397 140 A CA -0.503 51.480 52.037 -0.089 0.000 0.984 140 A CB -0.382 18.584 19.000 -0.057 0.000 1.149 140 A HN 0.436 nan 8.150 nan 0.000 0.540 141 V N 0.940 120.790 119.914 -0.106 0.000 2.604 141 V HA 0.765 4.885 4.120 -0.000 0.000 0.305 141 V C -2.811 173.175 176.094 -0.180 0.000 1.043 141 V CA -2.623 59.588 62.300 -0.149 0.000 0.888 141 V CB 1.848 33.622 31.823 -0.081 0.000 0.995 141 V HN 0.644 nan 8.190 nan 0.000 0.429 142 P HA 0.115 nan 4.420 nan 0.000 0.268 142 P C 0.855 178.074 177.300 -0.135 0.000 1.205 142 P CA 0.425 63.386 63.100 -0.231 0.000 0.771 142 P CB 1.353 32.852 31.700 -0.335 0.000 0.858 143 S N 2.846 118.500 115.700 -0.077 0.000 2.436 143 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 143 S C 0.864 175.448 174.600 -0.027 0.000 1.014 143 S CA 0.210 58.386 58.200 -0.039 0.000 0.950 143 S CB -0.138 63.051 63.200 -0.019 0.000 0.784 143 S HN 0.420 nan 8.310 nan 0.000 0.504 144 R N -0.108 120.373 120.500 -0.032 0.000 2.668 144 R HA 0.622 4.962 4.340 -0.000 0.000 0.279 144 R C 0.805 177.103 176.300 -0.005 0.000 0.976 144 R CA 0.001 56.093 56.100 -0.013 0.000 0.978 144 R CB 1.467 31.761 30.300 -0.009 0.000 1.133 144 R HN 0.341 nan 8.270 nan 0.000 0.484 145 G N 0.204 109.011 108.800 0.012 0.000 2.901 145 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.194 145 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.194 145 G C 0.089 175.006 174.900 0.028 0.000 1.020 145 G CA -0.104 45.012 45.100 0.026 0.000 0.787 145 G HN 0.598 nan 8.290 nan 0.000 0.477 146 T N 0.802 115.369 114.554 0.022 0.000 2.907 146 T HA 0.524 4.874 4.350 -0.000 0.000 0.284 146 T C 1.466 176.181 174.700 0.025 0.000 1.004 146 T CA 0.460 62.571 62.100 0.019 0.000 1.063 146 T CB 1.631 70.506 68.868 0.012 0.000 0.992 146 T HN 1.116 nan 8.240 nan 0.000 0.483 147 V N 1.299 121.229 119.914 0.027 0.000 3.542 147 V HA 0.590 4.709 4.120 -0.000 0.000 0.296 147 V C 1.171 177.292 176.094 0.045 0.000 1.364 147 V CA 0.189 62.512 62.300 0.038 0.000 1.118 147 V CB -1.349 30.498 31.823 0.040 0.000 0.972 147 V HN 1.349 nan 8.190 nan 0.000 0.430 153 L N -0.342 120.841 121.223 -0.066 0.000 2.046 153 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 153 L C 2.371 179.176 176.870 -0.109 0.000 1.077 153 L CA 1.381 56.156 54.840 -0.108 0.000 0.747 153 L CB -0.601 41.367 42.059 -0.151 0.000 0.896 153 L HN 0.103 nan 8.230 nan 0.000 0.432 154 T N 0.649 115.165 114.554 -0.063 0.000 2.622 154 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 154 T C -0.414 174.330 174.700 0.072 0.000 1.047 154 T CA 1.865 63.955 62.100 -0.017 0.000 1.159 154 T CB -1.216 67.676 68.868 0.040 0.000 0.863 154 T HN 0.307 nan 8.240 nan 0.000 0.422 155 P HA 0.010 nan 4.420 nan 0.000 0.218 155 P C 1.574 178.894 177.300 0.034 0.000 1.149 155 P CA 0.988 64.131 63.100 0.072 0.000 0.817 155 P CB -0.230 31.478 31.700 0.012 0.000 0.785 156 L N -0.748 120.464 121.223 -0.018 0.000 2.156 156 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 156 L C 2.755 179.577 176.870 -0.080 0.000 1.095 156 L CA 1.216 56.028 54.840 -0.047 0.000 0.770 156 L CB -0.944 41.081 42.059 -0.057 0.000 0.914 156 L HN -0.051 nan 8.230 nan 0.000 0.439 157 A N -0.942 121.803 122.820 -0.125 0.000 1.898 157 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 157 A C 2.123 179.584 177.584 -0.205 0.000 1.181 157 A CA 1.187 53.095 52.037 -0.214 0.000 0.620 157 A CB -0.675 18.128 19.000 -0.327 0.000 0.819 157 A HN 0.384 nan 8.150 nan 0.000 0.442 158 H N -1.045 117.961 119.070 -0.107 0.000 2.387 158 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 158 H C 2.111 177.367 175.328 -0.120 0.000 1.090 158 H CA 1.818 57.806 56.048 -0.100 0.000 1.332 158 H CB -0.315 29.393 29.762 -0.089 0.000 1.386 158 H HN 0.597 nan 8.280 nan 0.000 0.516 159 M N 0.597 120.194 119.600 -0.004 0.000 2.080 159 M HA -0.166 4.314 4.480 -0.000 0.000 0.260 159 M C 2.160 178.409 176.300 -0.085 0.000 1.068 159 M CA 1.458 56.717 55.300 -0.068 0.000 1.109 159 M CB -0.181 32.383 32.600 -0.058 0.000 1.342 159 M HN 0.000 nan 8.290 nan 0.000 0.405 160 V N 1.324 121.191 119.914 -0.078 0.000 2.287 160 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 160 V C 2.464 178.518 176.094 -0.067 0.000 1.053 160 V CA 1.942 64.198 62.300 -0.073 0.000 1.027 160 V CB -0.791 30.975 31.823 -0.094 0.000 0.646 160 V HN 0.556 nan 8.190 nan 0.000 0.447 161 L N -0.933 120.242 121.223 -0.080 0.000 2.046 161 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 161 L C 2.676 179.506 176.870 -0.068 0.000 1.077 161 L CA 1.715 56.522 54.840 -0.055 0.000 0.747 161 L CB -0.784 41.244 42.059 -0.051 0.000 0.896 161 L HN 0.408 nan 8.230 nan 0.000 0.432 162 C N -0.055 119.158 119.300 -0.144 0.000 2.413 162 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 162 C C 2.704 177.576 174.990 -0.198 0.000 1.228 162 C CA 0.510 59.326 59.018 -0.336 0.000 1.731 162 C CB -0.899 26.493 27.740 -0.579 0.000 2.042 162 C HN 0.440 nan 8.230 nan 0.000 0.468 163 L N 0.329 121.510 121.223 -0.069 0.000 2.265 163 L HA -0.196 4.143 4.340 -0.000 0.000 0.215 163 L C 2.465 179.406 176.870 0.118 0.000 1.117 163 L CA 1.344 56.248 54.840 0.107 0.000 0.782 163 L CB -0.669 41.422 42.059 0.054 0.000 0.914 163 L HN 0.544 nan 8.230 nan 0.000 0.441 164 Q N -0.462 119.375 119.800 0.062 0.000 2.403 164 Q HA 0.100 4.440 4.340 -0.000 0.000 0.203 164 Q C 1.396 177.449 176.000 0.089 0.000 0.932 164 Q CA 0.527 56.367 55.803 0.061 0.000 0.945 164 Q CB 0.547 29.302 28.738 0.028 0.000 1.045 164 Q HN 0.569 nan 8.270 nan 0.000 0.511 165 G N 1.660 110.543 108.800 0.137 0.000 2.141 165 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.242 165 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.242 165 G C 0.531 175.495 174.900 0.106 0.000 0.982 165 G CA 0.044 45.248 45.100 0.173 0.000 0.662 165 G HN 0.310 nan 8.290 nan 0.000 0.527 166 R N 0.158 120.693 120.500 0.058 0.000 2.552 166 R HA 0.478 4.818 4.340 -0.000 0.000 0.314 166 R C 0.984 177.291 176.300 0.011 0.000 1.041 166 R CA 0.513 56.636 56.100 0.037 0.000 1.076 166 R CB 0.769 31.091 30.300 0.037 0.000 1.290 166 R HN 0.532 nan 8.270 nan 0.000 0.563 167 G N -0.332 108.457 108.800 -0.019 0.000 2.704 167 G HA2 0.220 4.180 3.960 -0.000 0.000 0.293 167 G HA3 0.220 4.180 3.960 -0.000 0.000 0.293 167 G C -1.517 173.311 174.900 -0.120 0.000 1.421 167 G CA -0.681 44.377 45.100 -0.069 0.000 0.870 167 G HN -0.113 nan 8.290 nan 0.000 0.492 168 D N -0.499 119.846 120.400 -0.092 0.000 2.360 168 D HA 0.561 5.201 4.640 -0.000 0.000 0.242 168 D C -0.451 175.737 176.300 -0.187 0.000 1.184 168 D CA 0.627 54.605 54.000 -0.035 0.000 0.930 168 D CB 0.789 41.592 40.800 0.006 0.000 1.161 168 D HN 0.103 nan 8.370 nan 0.000 0.447 169 F N -0.486 119.489 119.950 0.041 0.000 2.598 169 F HA 0.542 5.069 4.527 -0.000 0.000 0.327 169 F C -0.244 175.603 175.800 0.078 0.000 1.057 169 F CA -0.896 57.138 58.000 0.056 0.000 0.957 169 F CB 1.179 40.213 39.000 0.057 0.000 1.278 169 F HN -0.053 nan 8.300 nan 0.000 0.484 170 L N 1.422 122.853 121.223 0.347 0.000 2.386 170 L HA 0.427 4.767 4.340 -0.000 0.000 0.271 170 L C -1.160 175.924 176.870 0.355 0.000 0.993 170 L CA -1.069 53.945 54.840 0.290 0.000 0.819 170 L CB 1.961 44.196 42.059 0.294 0.000 1.294 170 L HN 0.592 nan 8.230 nan 0.000 0.414 171 D N 0.860 121.362 120.400 0.170 0.000 2.432 171 D HA 0.226 4.866 4.640 -0.000 0.000 0.258 171 D C 0.830 176.949 176.300 -0.301 0.000 1.146 171 D CA -0.663 53.357 54.000 0.033 0.000 1.015 171 D CB 0.780 41.562 40.800 -0.030 0.000 1.107 171 D HN 0.326 nan 8.370 nan 0.000 0.529 172 R N -0.461 119.595 120.500 -0.741 0.000 2.185 172 R HA -0.125 4.215 4.340 -0.000 0.000 0.247 172 R C 0.533 176.469 176.300 -0.607 0.000 1.159 172 R CA 1.455 56.764 56.100 -1.317 0.000 0.988 172 R CB -0.262 29.388 30.300 -1.083 0.000 0.871 172 R HN 0.533 nan 8.270 nan 0.000 0.458 173 D N -1.208 119.002 120.400 -0.317 0.000 2.349 173 D HA 0.044 4.684 4.640 -0.000 0.000 0.215 173 D C 1.222 177.477 176.300 -0.074 0.000 1.016 173 D CA 1.043 54.946 54.000 -0.161 0.000 0.870 173 D CB 0.735 41.467 40.800 -0.112 0.000 0.917 173 D HN 0.466 nan 8.370 nan 0.000 0.524 174 G N 0.912 109.687 108.800 -0.040 0.000 2.176 174 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.232 174 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.232 174 G C 0.532 175.453 174.900 0.036 0.000 0.986 174 G CA 0.153 45.273 45.100 0.034 0.000 0.643 174 G HN 0.270 nan 8.290 nan 0.000 0.522 175 T N 2.155 116.719 114.554 0.017 0.000 2.888 175 T HA 0.448 4.798 4.350 -0.000 0.000 0.301 175 T C 0.800 175.534 174.700 0.057 0.000 1.001 175 T CA 0.077 62.192 62.100 0.025 0.000 1.147 175 T CB 0.775 69.647 68.868 0.007 0.000 0.931 175 T HN 0.405 nan 8.240 nan 0.000 0.541 176 R N 2.502 123.035 120.500 0.055 0.000 2.349 176 R HA 0.580 4.920 4.340 -0.000 0.000 0.299 176 R C -0.504 175.845 176.300 0.081 0.000 1.027 176 R CA -0.559 55.586 56.100 0.075 0.000 0.958 176 R CB 0.774 31.107 30.300 0.054 0.000 1.047 176 R HN 0.495 nan 8.270 nan 0.000 0.468 177 L N 1.974 123.271 121.223 0.123 0.000 2.381 177 L HA 0.331 4.671 4.340 -0.000 0.000 0.268 177 L C -0.271 176.695 176.870 0.159 0.000 0.997 177 L CA -1.262 53.652 54.840 0.124 0.000 0.818 177 L CB 2.036 44.174 42.059 0.132 0.000 1.310 177 L HN 0.667 nan 8.230 nan 0.000 0.416 178 D N 0.923 121.396 120.400 0.122 0.000 2.371 178 D HA 0.141 4.781 4.640 -0.000 0.000 0.242 178 D C 1.274 177.702 176.300 0.213 0.000 1.218 178 D CA -0.064 54.012 54.000 0.128 0.000 0.945 178 D CB 0.823 41.672 40.800 0.081 0.000 1.137 178 D HN 0.573 nan 8.370 nan 0.000 0.464 179 G N -0.248 108.676 108.800 0.207 0.000 2.491 179 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 179 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 179 G C 1.523 176.566 174.900 0.238 0.000 1.180 179 G CA 1.540 46.827 45.100 0.312 0.000 0.774 179 G HN 0.681 nan 8.290 nan 0.000 0.562 180 A N 0.773 123.670 122.820 0.128 0.000 1.883 180 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 180 A C 2.217 179.820 177.584 0.032 0.000 1.186 180 A CA 2.362 54.440 52.037 0.069 0.000 0.624 180 A CB -0.486 18.543 19.000 0.049 0.000 0.822 180 A HN 0.438 nan 8.150 nan 0.000 0.444 181 E N 0.124 120.348 120.200 0.041 0.000 2.150 181 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 181 E C 1.911 178.476 176.600 -0.059 0.000 0.985 181 E CA 1.565 57.969 56.400 0.005 0.000 0.814 181 E CB -0.795 28.922 29.700 0.029 0.000 0.752 181 E HN 0.397 nan 8.360 nan 0.000 0.466 182 G N 0.655 109.410 108.800 -0.076 0.000 2.404 182 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 182 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 182 G C 1.597 176.119 174.900 -0.630 0.000 1.174 182 G CA 0.816 45.630 45.100 -0.476 0.000 0.780 182 G HN 0.311 nan 8.290 nan 0.000 0.537 183 L N -0.161 120.837 121.223 -0.375 0.000 2.131 183 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 183 L C 2.912 179.688 176.870 -0.155 0.000 1.092 183 L CA 1.083 55.784 54.840 -0.232 0.000 0.759 183 L CB -0.348 41.681 42.059 -0.051 0.000 0.903 183 L HN 0.205 nan 8.230 nan 0.000 0.435 184 R N 0.519 120.950 120.500 -0.115 0.000 2.061 184 R HA -0.173 4.167 4.340 -0.000 0.000 0.230 184 R C 2.537 178.786 176.300 -0.085 0.000 1.140 184 R CA 1.509 57.564 56.100 -0.074 0.000 0.940 184 R CB -0.185 30.088 30.300 -0.045 0.000 0.839 184 R HN 0.156 nan 8.270 nan 0.000 0.429 185 R N -0.407 120.033 120.500 -0.100 0.000 2.091 185 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 185 R C 1.924 178.167 176.300 -0.095 0.000 1.136 185 R CA 1.866 57.915 56.100 -0.085 0.000 0.959 185 R CB -0.547 29.707 30.300 -0.077 0.000 0.856 185 R HN 0.420 nan 8.270 nan 0.000 0.437 186 G N -0.213 108.494 108.800 -0.156 0.000 2.920 186 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.208 186 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.208 186 G C -0.146 174.696 174.900 -0.097 0.000 1.159 186 G CA -0.082 44.938 45.100 -0.133 0.000 0.784 186 G HN 0.389 nan 8.290 nan 0.000 0.535 187 R N -1.179 119.268 120.500 -0.089 0.000 3.264 187 R HA -0.137 4.203 4.340 -0.000 0.000 0.251 187 R C -0.592 175.675 176.300 -0.056 0.000 0.971 187 R CA 0.244 56.309 56.100 -0.059 0.000 0.658 187 R CB -2.263 28.014 30.300 -0.038 0.000 1.095 187 R HN 0.341 nan 8.270 nan 0.000 0.443 188 L N 0.521 121.698 121.223 -0.077 0.000 2.334 188 L HA 0.413 4.752 4.340 -0.000 0.000 0.272 188 L C 0.680 177.536 176.870 -0.024 0.000 1.020 188 L CA -1.110 53.698 54.840 -0.053 0.000 0.812 188 L CB 1.454 43.464 42.059 -0.081 0.000 1.264 188 L HN 0.021 nan 8.230 nan 0.000 0.439 189 Q N 2.359 122.158 119.800 -0.001 0.000 2.230 189 Q HA 0.394 4.734 4.340 -0.000 0.000 0.253 189 Q C -2.343 173.676 176.000 0.031 0.000 0.919 189 Q CA -1.933 53.877 55.803 0.011 0.000 0.908 189 Q CB 1.582 30.326 28.738 0.011 0.000 1.245 189 Q HN 0.301 nan 8.270 nan 0.000 0.437 190 P HA 0.007 nan 4.420 nan 0.000 0.271 190 P C -0.219 177.108 177.300 0.045 0.000 1.216 190 P CA -0.522 62.610 63.100 0.053 0.000 0.771 190 P CB 0.587 32.315 31.700 0.047 0.000 0.864 191 L N 3.306 124.559 121.223 0.049 0.000 2.499 191 L HA 0.160 4.500 4.340 -0.000 0.000 0.273 191 L C 0.044 176.933 176.870 0.031 0.000 1.195 191 L CA 0.844 55.705 54.840 0.035 0.000 0.882 191 L CB -0.484 41.592 42.059 0.028 0.000 1.133 191 L HN 0.315 nan 8.230 nan 0.000 0.483 192 D N 4.909 125.331 120.400 0.037 0.000 2.425 192 D HA 0.221 4.861 4.640 -0.000 0.000 0.240 192 D C -0.090 176.250 176.300 0.067 0.000 1.080 192 D CA -0.242 53.787 54.000 0.048 0.000 0.836 192 D CB 0.987 41.824 40.800 0.063 0.000 1.125 192 D HN 0.663 nan 8.370 nan 0.000 0.525 193 L N 3.139 124.392 121.223 0.049 0.000 2.848 193 L HA 0.062 4.402 4.340 -0.000 0.000 0.240 193 L C 2.054 178.965 176.870 0.068 0.000 1.232 193 L CA -0.129 54.746 54.840 0.058 0.000 1.031 193 L CB -0.009 42.060 42.059 0.017 0.000 1.338 193 L HN 0.345 nan 8.230 nan 0.000 0.509 194 S N -1.811 113.929 115.700 0.067 0.000 2.419 194 S HA -0.241 4.229 4.470 -0.000 0.000 0.235 194 S C 1.509 176.072 174.600 -0.062 0.000 1.019 194 S CA 1.147 59.337 58.200 -0.017 0.000 0.982 194 S CB -0.478 62.674 63.200 -0.080 0.000 0.789 194 S HN 0.533 nan 8.310 nan 0.000 0.490 195 H N 1.550 120.613 119.070 -0.011 0.000 2.563 195 H HA 0.328 4.884 4.556 -0.000 0.000 0.272 195 H C 0.648 175.966 175.328 -0.016 0.000 1.005 195 H CA 0.610 56.648 56.048 -0.017 0.000 1.171 195 H CB -0.178 29.570 29.762 -0.022 0.000 1.351 195 H HN 0.393 nan 8.280 nan 0.000 0.602 196 R N 0.836 121.389 120.500 0.088 0.000 3.532 196 R HA -0.126 4.213 4.340 -0.000 0.000 0.284 196 R C -0.804 175.540 176.300 0.074 0.000 1.140 196 R CA 0.811 56.949 56.100 0.063 0.000 0.768 196 R CB -1.856 28.470 30.300 0.042 0.000 1.252 196 R HN 0.537 nan 8.270 nan 0.000 0.454 197 D N -1.053 119.393 120.400 0.077 0.000 2.615 197 D HA 0.238 4.878 4.640 -0.000 0.000 0.236 197 D C 1.186 177.521 176.300 0.058 0.000 1.233 197 D CA 0.291 54.330 54.000 0.064 0.000 0.829 197 D CB 0.382 41.201 40.800 0.032 0.000 1.024 197 D HN 0.289 nan 8.370 nan 0.000 0.490 198 A N 0.306 123.159 122.820 0.054 0.000 1.972 198 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 198 A C 1.896 179.498 177.584 0.030 0.000 1.169 198 A CA 0.706 52.757 52.037 0.023 0.000 0.635 198 A CB -0.434 18.567 19.000 0.001 0.000 0.810 198 A HN 0.279 nan 8.150 nan 0.000 0.446 199 L N -0.772 120.503 121.223 0.087 0.000 2.551 199 L HA 0.026 4.365 4.340 -0.000 0.000 0.228 199 L C 2.587 179.515 176.870 0.097 0.000 1.153 199 L CA 1.179 56.086 54.840 0.111 0.000 0.851 199 L CB -0.417 41.764 42.059 0.203 0.000 0.959 199 L HN 0.378 nan 8.230 nan 0.000 0.451 200 A N -1.266 121.604 122.820 0.084 0.000 2.123 200 A HA 0.072 4.392 4.320 -0.000 0.000 0.214 200 A C 2.079 179.681 177.584 0.030 0.000 1.152 200 A CA 0.915 52.994 52.037 0.069 0.000 0.728 200 A CB -0.199 18.838 19.000 0.061 0.000 0.814 200 A HN 0.389 nan 8.150 nan 0.000 0.464 201 L N -1.223 120.006 121.223 0.010 0.000 2.500 201 L HA 0.147 4.487 4.340 -0.000 0.000 0.219 201 L C -0.020 176.831 176.870 -0.031 0.000 1.057 201 L CA 0.233 55.064 54.840 -0.015 0.000 0.854 201 L CB 0.454 42.497 42.059 -0.027 0.000 1.078 201 L HN 0.036 nan 8.230 nan 0.000 0.480 202 V N 2.025 121.914 119.914 -0.041 0.000 2.247 202 V HA 0.395 4.515 4.120 -0.000 0.000 0.262 202 V C -0.503 175.569 176.094 -0.037 0.000 1.096 202 V CA -0.223 62.033 62.300 -0.074 0.000 0.895 202 V CB -0.030 31.706 31.823 -0.145 0.000 1.141 202 V HN 0.323 nan 8.190 nan 0.000 0.478 203 N N 1.967 120.658 118.700 -0.014 0.000 3.348 203 N HA 0.500 5.239 4.740 -0.000 0.000 0.233 203 N C -0.030 175.504 175.510 0.039 0.000 1.440 203 N CA 0.587 53.652 53.050 0.025 0.000 0.887 203 N CB 2.218 40.741 38.487 0.060 0.000 1.410 203 N HN 0.759 nan 8.380 nan 0.000 0.502 204 G N 0.042 108.899 108.800 0.094 0.000 2.645 204 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.246 204 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.246 204 G C 0.194 175.141 174.900 0.078 0.000 1.322 204 G CA 0.554 45.712 45.100 0.098 0.000 0.898 204 G HN 1.232 nan 8.290 nan 0.000 0.573 205 T N -3.171 111.414 114.554 0.051 0.000 3.269 205 T HA 0.577 4.927 4.350 -0.000 0.000 0.269 205 T C 1.773 176.479 174.700 0.010 0.000 0.993 205 T CA 0.943 63.065 62.100 0.037 0.000 0.909 205 T CB 0.480 69.368 68.868 0.033 0.000 1.115 205 T HN 0.817 nan 8.240 nan 0.000 0.543 206 S N 1.661 117.362 115.700 0.003 0.000 2.383 206 S HA -0.077 4.393 4.470 -0.000 0.000 0.229 206 S C 2.458 177.050 174.600 -0.014 0.000 1.030 206 S CA 1.303 59.496 58.200 -0.012 0.000 1.002 206 S CB -0.558 62.631 63.200 -0.018 0.000 0.829 206 S HN 0.836 nan 8.310 nan 0.000 0.467 207 A N 2.619 125.435 122.820 -0.007 0.000 1.855 207 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 207 A C 2.276 179.863 177.584 0.004 0.000 1.191 207 A CA 1.726 53.760 52.037 -0.006 0.000 0.613 207 A CB -0.789 18.209 19.000 -0.003 0.000 0.829 207 A HN 0.657 nan 8.150 nan 0.000 0.442 208 M N -1.483 118.124 119.600 0.012 0.000 2.159 208 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 208 M C 1.807 178.116 176.300 0.015 0.000 1.063 208 M CA 2.307 57.620 55.300 0.020 0.000 1.110 208 M CB -1.329 31.287 32.600 0.025 0.000 1.374 208 M HN 0.159 nan 8.290 nan 0.000 0.411 209 T N 1.147 115.700 114.554 -0.001 0.000 2.777 209 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 209 T C 1.973 176.671 174.700 -0.002 0.000 1.040 209 T CA 1.651 63.742 62.100 -0.015 0.000 1.141 209 T CB -0.748 68.102 68.868 -0.030 0.000 0.868 209 T HN 0.720 nan 8.240 nan 0.000 0.444 210 G N 1.307 110.104 108.800 -0.005 0.000 2.421 210 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 210 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 210 G C 1.523 176.437 174.900 0.024 0.000 1.171 210 G CA 0.491 45.587 45.100 -0.005 0.000 0.775 210 G HN 0.483 nan 8.290 nan 0.000 0.543 211 I N 1.507 122.096 120.570 0.031 0.000 2.179 211 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 211 I C 3.278 179.446 176.117 0.086 0.000 1.088 211 I CA 1.098 62.430 61.300 0.054 0.000 1.357 211 I CB -0.209 37.820 38.000 0.048 0.000 1.051 211 I HN 0.232 nan 8.210 nan 0.000 0.409 212 A N 1.200 124.075 122.820 0.091 0.000 1.933 212 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 212 A C 2.245 179.936 177.584 0.179 0.000 1.175 212 A CA 1.849 53.980 52.037 0.157 0.000 0.628 212 A CB -0.830 18.243 19.000 0.121 0.000 0.814 212 A HN 0.518 nan 8.150 nan 0.000 0.444 213 L N -1.964 119.327 121.223 0.114 0.000 2.141 213 L HA 0.016 4.356 4.340 -0.000 0.000 0.209 213 L C 1.971 178.945 176.870 0.172 0.000 1.094 213 L CA 1.577 56.492 54.840 0.124 0.000 0.763 213 L CB -1.128 40.974 42.059 0.070 0.000 0.908 213 L HN 0.001 nan 8.230 nan 0.000 0.437 214 V N 0.909 120.925 119.914 0.170 0.000 2.453 214 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 214 V C 2.461 178.665 176.094 0.184 0.000 1.048 214 V CA 1.711 64.147 62.300 0.227 0.000 1.049 214 V CB -0.965 30.964 31.823 0.177 0.000 0.672 214 V HN 0.513 nan 8.190 nan 0.000 0.457 215 N N 0.833 119.618 118.700 0.141 0.000 2.120 215 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 215 N C 1.927 177.473 175.510 0.060 0.000 1.024 215 N CA 1.660 54.768 53.050 0.096 0.000 0.852 215 N CB -0.557 37.971 38.487 0.068 0.000 1.003 215 N HN 0.470 nan 8.380 nan 0.000 0.424 216 A N 0.390 123.266 122.820 0.094 0.000 1.883 216 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 216 A C 2.121 179.707 177.584 0.005 0.000 1.186 216 A CA 1.932 54.006 52.037 0.062 0.000 0.624 216 A CB -0.989 18.113 19.000 0.171 0.000 0.822 216 A HN 0.464 nan 8.150 nan 0.000 0.444 217 H N -0.240 118.780 119.070 -0.084 0.000 2.321 217 H HA 0.040 4.596 4.556 -0.000 0.000 0.300 217 H C 2.224 177.446 175.328 -0.178 0.000 1.087 217 H CA 2.030 57.936 56.048 -0.236 0.000 1.319 217 H CB -0.255 29.194 29.762 -0.522 0.000 1.379 217 H HN 0.397 nan 8.280 nan 0.000 0.501 218 A N -0.321 122.504 122.820 0.008 0.000 1.902 218 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 218 A C 2.718 180.279 177.584 -0.040 0.000 1.181 218 A CA 1.512 53.568 52.037 0.031 0.000 0.623 218 A CB -1.248 17.808 19.000 0.094 0.000 0.818 218 A HN 0.655 nan 8.150 nan 0.000 0.443 219 C N -1.326 117.967 119.300 -0.011 0.000 2.422 219 C HA -0.043 4.417 4.460 -0.000 0.000 0.279 219 C C 2.792 177.756 174.990 -0.044 0.000 1.305 219 C CA 1.183 60.238 59.018 0.060 0.000 1.757 219 C CB -1.346 26.465 27.740 0.118 0.000 1.962 219 C HN 0.733 nan 8.230 nan 0.000 0.499 220 R N -0.172 120.201 120.500 -0.212 0.000 2.073 220 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 220 R C 2.268 178.369 176.300 -0.332 0.000 1.134 220 R CA 1.540 57.440 56.100 -0.333 0.000 0.952 220 R CB -0.416 29.585 30.300 -0.499 0.000 0.850 220 R HN 0.597 nan 8.270 nan 0.000 0.433 221 H N 0.598 119.534 119.070 -0.222 0.000 2.326 221 H HA -0.095 4.461 4.556 -0.000 0.000 0.301 221 H C 2.185 177.501 175.328 -0.021 0.000 1.081 221 H CA 1.678 57.648 56.048 -0.130 0.000 1.334 221 H CB -0.271 29.419 29.762 -0.121 0.000 1.385 221 H HN 0.241 nan 8.280 nan 0.000 0.504 222 L N -0.161 121.031 121.223 -0.051 0.000 2.131 222 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 222 L C 2.746 179.462 176.870 -0.257 0.000 1.092 222 L CA 1.061 55.686 54.840 -0.358 0.000 0.759 222 L CB -0.779 40.673 42.059 -1.013 0.000 0.903 222 L HN 0.304 nan 8.230 nan 0.000 0.435 223 G N -0.077 108.698 108.800 -0.041 0.000 2.422 223 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.218 223 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.218 223 G C 1.391 176.378 174.900 0.146 0.000 1.146 223 G CA 0.517 45.771 45.100 0.256 0.000 0.769 223 G HN 0.323 nan 8.290 nan 0.000 0.547 224 N N -0.008 118.672 118.700 -0.032 0.000 2.244 224 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 224 N C 1.806 177.216 175.510 -0.166 0.000 1.016 224 N CA 0.762 53.735 53.050 -0.129 0.000 0.866 224 N CB -0.294 38.061 38.487 -0.220 0.000 0.980 224 N HN 0.578 nan 8.380 nan 0.000 0.430 225 W N 1.597 122.855 121.300 -0.070 0.000 2.409 225 W HA 0.094 4.753 4.660 -0.000 0.000 0.299 225 W C 2.503 179.002 176.519 -0.034 0.000 1.203 225 W CA 1.092 58.392 57.345 -0.075 0.000 1.298 225 W CB -0.406 28.964 29.460 -0.150 0.000 1.127 225 W HN 0.014 nan 8.180 nan 0.000 0.528 226 A N -0.142 122.803 122.820 0.209 0.000 1.908 226 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 226 A C 1.988 179.656 177.584 0.141 0.000 1.181 226 A CA 2.180 54.351 52.037 0.225 0.000 0.627 226 A CB -1.110 18.113 19.000 0.372 0.000 0.818 226 A HN 0.100 nan 8.150 nan 0.000 0.445 227 V N -0.375 119.606 119.914 0.112 0.000 2.307 227 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 227 V C 3.060 179.133 176.094 -0.037 0.000 1.045 227 V CA 1.875 64.184 62.300 0.014 0.000 1.024 227 V CB -1.152 30.687 31.823 0.027 0.000 0.651 227 V HN 0.614 nan 8.190 nan 0.000 0.449 228 A N -0.296 122.493 122.820 -0.052 0.000 1.933 228 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 228 A C 2.177 179.774 177.584 0.021 0.000 1.175 228 A CA 1.701 53.694 52.037 -0.074 0.000 0.628 228 A CB -0.486 18.376 19.000 -0.230 0.000 0.814 228 A HN 0.516 nan 8.150 nan 0.000 0.444 229 L N -1.136 120.142 121.223 0.092 0.000 2.179 229 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 229 L C 2.655 179.586 176.870 0.102 0.000 1.096 229 L CA 1.468 56.383 54.840 0.125 0.000 0.779 229 L CB -0.865 41.295 42.059 0.168 0.000 0.922 229 L HN 0.301 nan 8.230 nan 0.000 0.443 230 T N 0.181 114.785 114.554 0.084 0.000 2.746 230 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 230 T C 2.052 176.850 174.700 0.163 0.000 1.039 230 T CA 1.345 63.504 62.100 0.098 0.000 1.142 230 T CB -0.112 68.763 68.868 0.011 0.000 0.866 230 T HN 0.432 nan 8.240 nan 0.000 0.444 231 A N 1.291 124.168 122.820 0.094 0.000 1.873 231 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 231 A C 2.208 179.906 177.584 0.189 0.000 1.186 231 A CA 1.179 53.330 52.037 0.191 0.000 0.616 231 A CB -0.832 18.214 19.000 0.076 0.000 0.823 231 A HN 0.395 nan 8.150 nan 0.000 0.442 232 L N -0.662 120.631 121.223 0.117 0.000 2.083 232 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 232 L C 2.218 179.147 176.870 0.097 0.000 1.083 232 L CA 1.845 56.742 54.840 0.095 0.000 0.752 232 L CB -0.710 41.395 42.059 0.077 0.000 0.899 232 L HN 0.381 nan 8.230 nan 0.000 0.433 233 L N -0.131 121.159 121.223 0.113 0.000 2.042 233 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 233 L C 2.490 179.422 176.870 0.103 0.000 1.076 233 L CA 2.117 57.016 54.840 0.099 0.000 0.749 233 L CB -1.040 41.087 42.059 0.114 0.000 0.893 233 L HN 0.272 nan 8.230 nan 0.000 0.432 234 A N -0.869 122.047 122.820 0.159 0.000 1.933 234 A HA -0.211 4.108 4.320 -0.000 0.000 0.218 234 A C 2.130 179.746 177.584 0.053 0.000 1.175 234 A CA 1.777 53.877 52.037 0.105 0.000 0.628 234 A CB -0.612 18.480 19.000 0.153 0.000 0.814 234 A HN 0.644 nan 8.150 nan 0.000 0.444 235 E N -1.111 119.134 120.200 0.075 0.000 2.274 235 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 235 E C 1.601 178.220 176.600 0.033 0.000 0.996 235 E CA 0.938 57.367 56.400 0.049 0.000 0.840 235 E CB -0.243 29.491 29.700 0.058 0.000 0.772 235 E HN 0.680 nan 8.360 nan 0.000 0.491 236 C N 0.004 119.324 119.300 0.034 0.000 2.634 236 C HA 0.169 4.629 4.460 -0.000 0.000 0.268 236 C C 1.703 176.699 174.990 0.010 0.000 1.322 236 C CA -0.001 59.029 59.018 0.020 0.000 1.737 236 C CB -0.193 27.557 27.740 0.017 0.000 1.976 236 C HN 0.319 nan 8.230 nan 0.000 0.547 237 L N -0.102 121.128 121.223 0.012 0.000 3.168 237 L HA 0.283 4.623 4.340 -0.000 0.000 0.277 237 L C 0.318 177.182 176.870 -0.010 0.000 1.245 237 L CA -0.083 54.758 54.840 0.001 0.000 1.035 237 L CB -0.261 41.801 42.059 0.006 0.000 1.399 237 L HN 0.222 nan 8.230 nan 0.000 0.580 238 R N 0.591 121.085 120.500 -0.010 0.000 3.333 238 R HA -0.154 4.185 4.340 -0.000 0.000 0.256 238 R C 0.700 176.971 176.300 -0.048 0.000 1.010 238 R CA 0.445 56.531 56.100 -0.022 0.000 0.680 238 R CB -1.969 28.320 30.300 -0.019 0.000 1.102 238 R HN 0.500 nan 8.270 nan 0.000 0.440 239 G N 0.676 109.435 108.800 -0.067 0.000 2.554 239 G HA2 0.176 4.136 3.960 -0.000 0.000 0.238 239 G HA3 0.176 4.136 3.960 -0.000 0.000 0.238 239 G C 0.068 174.836 174.900 -0.221 0.000 1.259 239 G CA -0.565 44.450 45.100 -0.141 0.000 0.843 239 G HN 0.243 nan 8.290 nan 0.000 0.582 240 R N 0.503 120.838 120.500 -0.275 0.000 2.221 240 R HA 0.229 4.569 4.340 -0.000 0.000 0.327 240 R C 1.549 177.546 176.300 -0.504 0.000 1.033 240 R CA 0.215 56.147 56.100 -0.280 0.000 0.887 240 R CB 0.897 31.085 30.300 -0.186 0.000 1.057 240 R HN 0.706 nan 8.270 nan 0.000 0.455 241 T N -1.193 113.121 114.554 -0.400 0.000 3.055 241 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 241 T C 1.438 175.986 174.700 -0.253 0.000 1.111 241 T CA 0.851 62.696 62.100 -0.425 0.000 1.118 241 T CB -0.024 68.749 68.868 -0.159 0.000 0.909 241 T HN 0.742 nan 8.240 nan 0.000 0.501 242 E N 1.896 121.988 120.200 -0.181 0.000 2.204 242 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 242 E C 2.220 178.781 176.600 -0.065 0.000 0.990 242 E CA 0.948 57.297 56.400 -0.085 0.000 0.821 242 E CB -0.585 29.081 29.700 -0.058 0.000 0.750 242 E HN 0.607 nan 8.360 nan 0.000 0.477 243 A N 0.766 123.491 122.820 -0.158 0.000 2.121 243 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 243 A C 0.979 178.671 177.584 0.181 0.000 1.154 243 A CA 0.686 52.692 52.037 -0.052 0.000 0.679 243 A CB -0.598 18.329 19.000 -0.121 0.000 0.795 243 A HN 0.502 nan 8.150 nan 0.000 0.458 244 W N -0.341 120.960 121.300 0.001 0.000 3.239 244 W HA 0.602 5.262 4.660 -0.000 0.000 0.368 244 W C 0.779 177.300 176.519 0.003 0.000 1.154 244 W CA -1.095 56.252 57.345 0.003 0.000 1.860 244 W CB -1.353 28.112 29.460 0.008 0.000 1.094 244 W HN 0.343 nan 8.180 nan 0.000 0.643 245 A N 0.863 123.791 122.820 0.180 0.000 2.498 245 A HA 0.431 4.751 4.320 -0.000 0.000 0.239 245 A C 1.696 179.333 177.584 0.088 0.000 1.068 245 A CA 0.705 52.806 52.037 0.106 0.000 0.766 245 A CB 0.585 19.618 19.000 0.056 0.000 1.003 245 A HN 0.256 nan 8.150 nan 0.000 0.497 246 A N 2.580 125.441 122.820 0.067 0.000 1.940 246 A HA 0.078 4.398 4.320 -0.000 0.000 0.219 246 A C 2.393 179.999 177.584 0.036 0.000 1.176 246 A CA 2.399 54.465 52.037 0.048 0.000 0.631 246 A CB -1.030 17.991 19.000 0.036 0.000 0.814 246 A HN 1.800 nan 8.150 nan 0.000 0.446 247 A N -0.257 122.582 122.820 0.031 0.000 1.948 247 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 247 A C 2.156 179.752 177.584 0.020 0.000 1.177 247 A CA 1.637 53.686 52.037 0.020 0.000 0.636 247 A CB -0.591 18.418 19.000 0.016 0.000 0.815 247 A HN 0.507 nan 8.150 nan 0.000 0.449 248 L N -0.651 120.590 121.223 0.031 0.000 2.093 248 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 248 L C 2.835 179.720 176.870 0.026 0.000 1.085 248 L CA 1.353 56.211 54.840 0.029 0.000 0.755 248 L CB -0.402 41.685 42.059 0.045 0.000 0.904 248 L HN 0.344 nan 8.230 nan 0.000 0.435 249 S N -0.319 115.401 115.700 0.034 0.000 2.368 249 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 249 S C 1.502 176.107 174.600 0.008 0.000 1.030 249 S CA 1.301 59.518 58.200 0.028 0.000 0.999 249 S CB -0.273 62.948 63.200 0.036 0.000 0.844 249 S HN 0.451 nan 8.310 nan 0.000 0.459 250 D N 1.468 121.872 120.400 0.006 0.000 2.178 250 D HA -0.033 4.607 4.640 -0.000 0.000 0.201 250 D C 1.760 178.048 176.300 -0.019 0.000 0.980 250 D CA 0.701 54.697 54.000 -0.006 0.000 0.842 250 D CB -0.255 40.545 40.800 -0.001 0.000 0.948 250 D HN 0.336 nan 8.370 nan 0.000 0.472 251 L N -0.469 120.745 121.223 -0.014 0.000 2.217 251 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 251 L C 1.626 178.471 176.870 -0.042 0.000 1.107 251 L CA 0.588 55.415 54.840 -0.022 0.000 0.783 251 L CB 0.113 42.165 42.059 -0.011 0.000 0.919 251 L HN -0.171 nan 8.230 nan 0.000 0.442 252 R N 0.712 121.184 120.500 -0.047 0.000 2.644 252 R HA 0.189 4.529 4.340 -0.000 0.000 0.271 252 R C -2.152 174.073 176.300 -0.125 0.000 1.687 252 R CA -1.405 54.639 56.100 -0.093 0.000 1.655 252 R CB 0.855 31.139 30.300 -0.027 0.000 1.285 252 R HN -0.135 nan 8.270 nan 0.000 0.643 253 P HA -0.107 nan 4.420 nan 0.000 0.311 253 P C -0.667 176.569 177.300 -0.107 0.000 1.543 253 P CA 0.319 63.355 63.100 -0.107 0.000 0.766 253 P CB -0.356 31.292 31.700 -0.087 0.000 1.711 254 H N 0.815 119.887 119.070 0.004 0.000 2.899 254 H HA 0.089 4.645 4.556 -0.000 0.000 0.303 254 H C -1.281 174.060 175.328 0.023 0.000 1.042 254 H CA -1.564 54.489 56.048 0.008 0.000 1.479 254 H CB 0.485 30.248 29.762 0.000 0.000 1.493 254 H HN 0.087 nan 8.280 nan 0.000 0.534 255 P HA -0.163 nan 4.420 nan 0.000 0.215 255 P C 1.639 179.013 177.300 0.124 0.000 1.157 255 P CA 1.720 64.883 63.100 0.106 0.000 0.874 255 P CB 0.138 31.893 31.700 0.092 0.000 0.790 256 G N -0.520 108.371 108.800 0.151 0.000 2.422 256 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 256 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 256 G C 1.673 176.676 174.900 0.171 0.000 1.146 256 G CA 0.659 45.879 45.100 0.201 0.000 0.769 256 G HN 0.321 nan 8.290 nan 0.000 0.547 257 Q N 0.090 119.957 119.800 0.111 0.000 2.083 257 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 257 Q C 2.472 178.510 176.000 0.064 0.000 0.969 257 Q CA 1.486 57.327 55.803 0.063 0.000 0.838 257 Q CB -0.189 28.600 28.738 0.086 0.000 0.900 257 Q HN 0.508 nan 8.270 nan 0.000 0.436 258 K N 0.248 120.694 120.400 0.077 0.000 2.032 258 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 258 K C 1.683 178.315 176.600 0.052 0.000 1.048 258 K CA 1.930 58.250 56.287 0.055 0.000 0.927 258 K CB -0.195 32.334 32.500 0.048 0.000 0.712 258 K HN 0.188 nan 8.250 nan 0.000 0.441 259 D N -0.161 120.285 120.400 0.076 0.000 2.117 259 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 259 D C 1.698 178.051 176.300 0.090 0.000 0.987 259 D CA 1.499 55.541 54.000 0.071 0.000 0.829 259 D CB -0.052 40.794 40.800 0.077 0.000 0.961 259 D HN 0.339 nan 8.370 nan 0.000 0.460 260 A N 0.481 123.392 122.820 0.152 0.000 1.902 260 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 260 A C 2.390 179.935 177.584 -0.066 0.000 1.181 260 A CA 2.210 54.317 52.037 0.117 0.000 0.623 260 A CB -1.116 17.891 19.000 0.012 0.000 0.818 260 A HN 0.325 nan 8.150 nan 0.000 0.443 261 A N -0.170 122.611 122.820 -0.065 0.000 1.902 261 A HA 0.170 4.490 4.320 -0.000 0.000 0.217 261 A C 2.506 180.066 177.584 -0.041 0.000 1.181 261 A CA 2.088 54.071 52.037 -0.089 0.000 0.623 261 A CB -1.009 17.998 19.000 0.012 0.000 0.818 261 A HN 1.043 nan 8.150 nan 0.000 0.443 262 A N -0.097 122.719 122.820 -0.006 0.000 1.877 262 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 262 A C 2.235 179.810 177.584 -0.016 0.000 1.186 262 A CA 1.630 53.670 52.037 0.005 0.000 0.620 262 A CB -0.450 18.556 19.000 0.009 0.000 0.822 262 A HN 0.546 nan 8.150 nan 0.000 0.443 263 R N -0.613 119.866 120.500 -0.035 0.000 2.092 263 R HA 0.026 4.366 4.340 -0.000 0.000 0.231 263 R C 2.023 178.268 176.300 -0.091 0.000 1.119 263 R CA 1.246 57.314 56.100 -0.053 0.000 0.970 263 R CB -0.447 29.829 30.300 -0.040 0.000 0.864 263 R HN 0.500 nan 8.270 nan 0.000 0.440 264 L N 0.155 121.269 121.223 -0.180 0.000 2.056 264 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 264 L C 2.555 179.392 176.870 -0.056 0.000 1.078 264 L CA 1.384 56.026 54.840 -0.331 0.000 0.749 264 L CB -0.317 41.181 42.059 -0.936 0.000 0.901 264 L HN 0.143 nan 8.230 nan 0.000 0.433 265 R N -0.152 120.379 120.500 0.052 0.000 2.081 265 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 265 R C 2.389 178.743 176.300 0.090 0.000 1.131 265 R CA 1.374 57.569 56.100 0.158 0.000 0.960 265 R CB -0.531 29.846 30.300 0.129 0.000 0.856 265 R HN 0.360 nan 8.270 nan 0.000 0.436 266 A N 1.337 124.178 122.820 0.035 0.000 1.902 266 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 266 A C 2.055 179.648 177.584 0.016 0.000 1.181 266 A CA 1.109 53.155 52.037 0.016 0.000 0.623 266 A CB -0.266 18.729 19.000 -0.008 0.000 0.818 266 A HN 0.110 nan 8.150 nan 0.000 0.443 267 R N -0.195 120.310 120.500 0.008 0.000 2.096 267 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 267 R C 1.897 178.228 176.300 0.051 0.000 1.127 267 R CA 1.731 57.836 56.100 0.008 0.000 0.968 267 R CB -1.324 28.967 30.300 -0.015 0.000 0.861 267 R HN 0.668 nan 8.270 nan 0.000 0.440 268 V N -0.933 119.043 119.914 0.104 0.000 3.633 268 V HA 0.109 4.229 4.120 -0.000 0.000 0.283 268 V C 0.257 176.399 176.094 0.079 0.000 1.305 268 V CA -0.543 61.828 62.300 0.119 0.000 1.153 268 V CB -0.699 31.247 31.823 0.205 0.000 0.950 268 V HN -0.041 nan 8.190 nan 0.000 0.432 269 D N 1.117 121.553 120.400 0.060 0.000 2.458 269 D HA 0.425 5.064 4.640 -0.000 0.000 0.243 269 D C 1.450 177.768 176.300 0.029 0.000 1.146 269 D CA 1.754 55.778 54.000 0.040 0.000 0.877 269 D CB 0.527 41.344 40.800 0.029 0.000 1.176 269 D HN 0.520 nan 8.370 nan 0.000 0.461 270 G N 2.347 111.160 108.800 0.022 0.000 2.199 270 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.254 270 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.254 270 G C 0.451 175.363 174.900 0.019 0.000 0.982 270 G CA 0.291 45.401 45.100 0.017 0.000 0.632 270 G HN 0.766 nan 8.290 nan 0.000 0.529 271 S N 0.184 115.899 115.700 0.026 0.000 2.565 271 S HA 0.670 5.140 4.470 -0.000 0.000 0.276 271 S C 1.262 175.873 174.600 0.019 0.000 1.326 271 S CA 0.782 58.998 58.200 0.027 0.000 1.045 271 S CB 1.333 64.557 63.200 0.039 0.000 0.918 271 S HN 1.590 nan 8.310 nan 0.000 0.505 272 A N 5.273 128.104 122.820 0.018 0.000 2.431 272 A HA 0.317 4.637 4.320 -0.000 0.000 0.239 272 A C 1.834 179.429 177.584 0.018 0.000 1.230 272 A CA -0.317 51.730 52.037 0.017 0.000 0.928 272 A CB 0.069 19.079 19.000 0.016 0.000 1.006 272 A HN 0.733 nan 8.150 nan 0.000 0.520 273 R N -0.026 120.484 120.500 0.018 0.000 2.254 273 R HA 0.079 4.419 4.340 -0.000 0.000 0.195 273 R C 0.837 177.141 176.300 0.008 0.000 0.957 273 R CA 0.975 57.084 56.100 0.015 0.000 1.024 273 R CB -0.529 29.782 30.300 0.019 0.000 0.952 273 R HN 0.500 nan 8.270 nan 0.000 0.484 274 V N -1.155 118.761 119.914 0.003 0.000 2.863 274 V HA 0.397 4.517 4.120 -0.000 0.000 0.307 274 V C 0.506 176.590 176.094 -0.016 0.000 1.061 274 V CA -0.910 61.376 62.300 -0.023 0.000 1.024 274 V CB 1.893 33.691 31.823 -0.040 0.000 1.049 274 V HN -0.257 nan 8.190 nan 0.000 0.471 275 V N 4.235 124.128 119.914 -0.034 0.000 2.364 275 V HA 0.436 4.556 4.120 -0.000 0.000 0.272 275 V C 1.075 177.160 176.094 -0.014 0.000 1.036 275 V CA -0.246 62.067 62.300 0.021 0.000 0.880 275 V CB 0.657 32.489 31.823 0.015 0.000 0.991 275 V HN 0.936 nan 8.190 nan 0.000 0.460 276 R N 1.610 122.102 120.500 -0.014 0.000 2.334 276 R HA 0.174 4.514 4.340 -0.000 0.000 0.212 276 R C -0.125 176.092 176.300 -0.137 0.000 0.897 276 R CA -0.156 55.880 56.100 -0.108 0.000 1.056 276 R CB 0.160 30.368 30.300 -0.154 0.000 1.046 276 R HN 0.732 nan 8.270 nan 0.000 0.513 277 H N 0.208 119.253 119.070 -0.042 0.000 2.886 277 H HA 0.057 4.613 4.556 -0.000 0.000 0.329 277 H C -0.193 175.113 175.328 -0.038 0.000 1.044 277 H CA -0.030 55.998 56.048 -0.033 0.000 1.456 277 H CB 0.762 30.507 29.762 -0.029 0.000 1.464 277 H HN -0.204 nan 8.280 nan 0.000 0.573 278 V N 6.168 126.118 119.914 0.060 0.000 2.427 278 V HA -0.044 4.076 4.120 -0.000 0.000 0.268 278 V C 1.906 178.024 176.094 0.039 0.000 1.046 278 V CA 0.008 62.324 62.300 0.027 0.000 0.970 278 V CB -0.188 31.640 31.823 0.008 0.000 1.001 278 V HN 0.837 nan 8.190 nan 0.000 0.476 279 I N 3.322 123.907 120.570 0.024 0.000 2.315 279 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 279 I C 2.080 178.204 176.117 0.011 0.000 1.125 279 I CA 2.056 63.365 61.300 0.015 0.000 1.392 279 I CB -0.253 37.748 38.000 0.001 0.000 1.065 279 I HN 0.560 nan 8.210 nan 0.000 0.424 280 A N 0.862 123.687 122.820 0.009 0.000 2.172 280 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 280 A C 2.120 179.709 177.584 0.010 0.000 1.154 280 A CA 1.048 53.090 52.037 0.007 0.000 0.701 280 A CB -0.506 18.497 19.000 0.005 0.000 0.789 280 A HN 0.526 nan 8.150 nan 0.000 0.465 281 E N 0.069 120.279 120.200 0.016 0.000 2.208 281 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 281 E C 1.156 177.766 176.600 0.016 0.000 0.988 281 E CA 0.231 56.642 56.400 0.019 0.000 0.828 281 E CB -0.220 29.500 29.700 0.032 0.000 0.763 281 E HN 0.640 nan 8.360 nan 0.000 0.478 282 R N 1.796 122.304 120.500 0.013 0.000 2.401 282 R HA 0.062 4.401 4.340 -0.000 0.000 0.299 282 R C -0.345 175.955 176.300 0.001 0.000 1.064 282 R CA 0.008 56.111 56.100 0.004 0.000 1.000 282 R CB 0.418 30.715 30.300 -0.004 0.000 0.973 282 R HN -0.130 nan 8.270 nan 0.000 0.438 283 R N 5.555 126.055 120.500 -0.000 0.000 2.255 283 R HA 0.267 4.607 4.340 -0.000 0.000 0.326 283 R C -0.415 175.883 176.300 -0.004 0.000 0.986 283 R CA -0.584 55.515 56.100 -0.001 0.000 0.847 283 R CB 1.055 31.355 30.300 0.000 0.000 1.111 283 R HN 0.479 nan 8.270 nan 0.000 0.452 284 L N 3.256 124.477 121.223 -0.004 0.000 2.375 284 L HA 0.286 4.626 4.340 -0.000 0.000 0.271 284 L C 0.661 177.528 176.870 -0.005 0.000 1.107 284 L CA -0.292 54.545 54.840 -0.006 0.000 0.806 284 L CB 0.619 42.675 42.059 -0.006 0.000 1.146 284 L HN 0.692 nan 8.230 nan 0.000 0.447 285 D N 1.355 121.752 120.400 -0.006 0.000 2.585 285 D HA 0.342 4.982 4.640 -0.000 0.000 0.254 285 D C 0.557 176.854 176.300 -0.005 0.000 1.067 285 D CA -0.348 53.649 54.000 -0.005 0.000 1.090 285 D CB 1.681 42.477 40.800 -0.005 0.000 1.408 285 D HN 0.446 nan 8.370 nan 0.000 0.554 286 A N 0.271 123.088 122.820 -0.005 0.000 1.892 286 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 286 A C 2.063 179.643 177.584 -0.006 0.000 1.188 286 A CA 2.497 54.531 52.037 -0.005 0.000 0.631 286 A CB -1.657 17.341 19.000 -0.004 0.000 0.822 286 A HN 0.727 nan 8.150 nan 0.000 0.447 287 G N -1.125 107.672 108.800 -0.006 0.000 2.653 287 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.212 287 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.212 287 G C 0.777 175.672 174.900 -0.008 0.000 1.138 287 G CA 1.028 46.124 45.100 -0.007 0.000 0.782 287 G HN 0.532 nan 8.290 nan 0.000 0.535 288 D N 0.069 120.464 120.400 -0.009 0.000 2.346 288 D HA 0.042 4.682 4.640 -0.000 0.000 0.206 288 D C 1.051 177.345 176.300 -0.009 0.000 1.001 288 D CA -0.170 53.824 54.000 -0.010 0.000 0.871 288 D CB 0.528 41.322 40.800 -0.011 0.000 0.943 288 D HN 0.129 nan 8.370 nan 0.000 0.518 289 I N 1.566 122.131 120.570 -0.007 0.000 2.668 289 I HA 0.283 4.453 4.170 -0.000 0.000 0.285 289 I C 1.414 177.527 176.117 -0.007 0.000 1.168 289 I CA 0.885 62.181 61.300 -0.007 0.000 1.424 289 I CB -0.003 37.994 38.000 -0.005 0.000 1.377 289 I HN 0.042 nan 8.210 nan 0.000 0.560 290 G N 5.694 114.490 108.800 -0.007 0.000 2.398 290 G HA2 0.097 4.057 3.960 -0.000 0.000 0.251 290 G HA3 0.097 4.057 3.960 -0.000 0.000 0.251 290 G C -1.104 173.791 174.900 -0.008 0.000 1.277 290 G CA -0.668 44.427 45.100 -0.007 0.000 0.927 290 G HN 0.414 nan 8.290 nan 0.000 0.477 291 T N 1.840 116.389 114.554 -0.009 0.000 2.770 291 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 291 T C -0.209 174.484 174.700 -0.011 0.000 0.988 291 T CA -0.247 61.847 62.100 -0.009 0.000 0.957 291 T CB 1.452 70.315 68.868 -0.009 0.000 0.930 291 T HN 0.458 nan 8.240 nan 0.000 0.443 292 E N 3.102 123.295 120.200 -0.013 0.000 2.318 292 E HA 0.204 4.554 4.350 -0.000 0.000 0.265 292 E C -1.284 175.307 176.600 -0.015 0.000 1.069 292 E CA -1.993 54.398 56.400 -0.015 0.000 0.893 292 E CB 0.791 30.481 29.700 -0.017 0.000 1.076 292 E HN 0.334 nan 8.360 nan 0.000 0.414 293 P HA -0.138 nan 4.420 nan 0.000 0.215 293 P C -0.635 176.655 177.300 -0.017 0.000 1.153 293 P CA 1.375 64.465 63.100 -0.017 0.000 0.853 293 P CB 0.316 32.005 31.700 -0.018 0.000 0.788 294 E N -1.595 118.593 120.200 -0.019 0.000 2.393 294 E HA 0.606 4.956 4.350 -0.000 0.000 0.273 294 E C -0.936 175.654 176.600 -0.017 0.000 0.918 294 E CA -1.163 55.226 56.400 -0.018 0.000 0.773 294 E CB 2.019 31.707 29.700 -0.021 0.000 1.275 294 E HN -0.106 nan 8.360 nan 0.000 0.451 295 A N 0.539 123.351 122.820 -0.014 0.000 2.346 295 A HA 0.447 4.767 4.320 -0.000 0.000 0.252 295 A C 1.133 178.711 177.584 -0.011 0.000 1.089 295 A CA 0.326 52.357 52.037 -0.009 0.000 0.797 295 A CB 0.029 19.027 19.000 -0.004 0.000 1.047 295 A HN 0.774 nan 8.150 nan 0.000 0.494 296 G N -0.953 107.842 108.800 -0.008 0.000 2.920 296 G HA2 0.329 4.289 3.960 -0.000 0.000 0.208 296 G HA3 0.329 4.289 3.960 -0.000 0.000 0.208 296 G C 0.394 175.288 174.900 -0.011 0.000 1.159 296 G CA 0.253 45.347 45.100 -0.011 0.000 0.784 296 G HN 0.684 nan 8.290 nan 0.000 0.535 297 Q N 0.064 119.863 119.800 -0.002 0.000 2.421 297 Q HA 0.290 4.630 4.340 -0.000 0.000 0.280 297 Q C -1.525 174.483 176.000 0.013 0.000 1.085 297 Q CA -1.011 54.794 55.803 0.004 0.000 0.807 297 Q CB 2.087 30.843 28.738 0.031 0.000 1.405 297 Q HN 0.034 nan 8.270 nan 0.000 0.419 298 D N 0.697 121.102 120.400 0.010 0.000 2.354 298 D HA 0.385 5.024 4.640 -0.000 0.000 0.247 298 D C -0.157 176.199 176.300 0.094 0.000 1.138 298 D CA -0.115 53.900 54.000 0.026 0.000 0.958 298 D CB 0.938 41.737 40.800 -0.001 0.000 1.144 298 D HN 0.627 nan 8.370 nan 0.000 0.458 299 A N 0.560 123.429 122.820 0.081 0.000 2.429 299 A HA -0.021 4.299 4.320 -0.000 0.000 0.242 299 A C 0.646 178.380 177.584 0.250 0.000 1.088 299 A CA -0.040 52.057 52.037 0.100 0.000 0.784 299 A CB -0.082 18.936 19.000 0.030 0.000 1.038 299 A HN 0.542 nan 8.150 nan 0.000 0.501 300 Y N 1.000 121.317 120.300 0.027 0.000 2.256 300 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 300 Y C 2.926 178.861 175.900 0.057 0.000 1.155 300 Y CA 1.620 59.743 58.100 0.039 0.000 1.203 300 Y CB -1.295 37.180 38.460 0.024 0.000 0.980 300 Y HN 0.753 nan 8.280 nan 0.000 0.530 301 S N -1.046 114.782 115.700 0.213 0.000 2.493 301 S HA -0.117 4.353 4.470 -0.000 0.000 0.243 301 S C 1.781 176.486 174.600 0.175 0.000 0.991 301 S CA 1.152 59.444 58.200 0.152 0.000 0.957 301 S CB -0.545 62.719 63.200 0.107 0.000 0.756 301 S HN 0.464 nan 8.310 nan 0.000 0.521 302 L N -0.322 121.023 121.223 0.203 0.000 2.614 302 L HA 0.356 4.696 4.340 -0.000 0.000 0.185 302 L C 2.730 179.806 176.870 0.345 0.000 1.098 302 L CA 0.223 55.229 54.840 0.278 0.000 0.852 302 L CB -0.236 41.924 42.059 0.169 0.000 1.213 302 L HN 0.164 nan 8.230 nan 0.000 0.491 303 R N -0.075 120.546 120.500 0.201 0.000 2.127 303 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 303 R C 1.523 177.916 176.300 0.154 0.000 1.134 303 R CA 1.787 57.976 56.100 0.148 0.000 0.975 303 R CB -0.194 30.157 30.300 0.085 0.000 0.865 303 R HN 0.395 nan 8.270 nan 0.000 0.447 304 C N 0.207 119.564 119.300 0.094 0.000 2.780 304 C HA 0.436 4.896 4.460 -0.000 0.000 0.287 304 C C 2.131 177.139 174.990 0.029 0.000 1.288 304 C CA -0.369 58.645 59.018 -0.006 0.000 1.713 304 C CB -0.345 27.296 27.740 -0.165 0.000 1.955 304 C HN 0.627 nan 8.230 nan 0.000 0.613 305 A N 2.654 125.540 122.820 0.109 0.000 1.908 305 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 305 A C -0.002 177.507 177.584 -0.126 0.000 1.181 305 A CA 1.837 53.872 52.037 -0.004 0.000 0.627 305 A CB -1.561 17.440 19.000 0.002 0.000 0.818 305 A HN 0.413 nan 8.150 nan 0.000 0.445 306 P HA -0.145 nan 4.420 nan 0.000 0.216 306 P C 1.284 178.515 177.300 -0.114 0.000 1.150 306 P CA 1.475 64.490 63.100 -0.143 0.000 0.837 306 P CB -0.025 31.639 31.700 -0.059 0.000 0.786 307 Q N -1.022 118.731 119.800 -0.079 0.000 2.083 307 Q HA -0.072 4.267 4.340 -0.000 0.000 0.198 307 Q C 2.131 178.052 176.000 -0.132 0.000 0.969 307 Q CA 1.223 56.976 55.803 -0.084 0.000 0.838 307 Q CB -1.377 27.319 28.738 -0.070 0.000 0.900 307 Q HN 0.082 nan 8.270 nan 0.000 0.436 308 V N 0.464 120.297 119.914 -0.135 0.000 2.244 308 V HA -0.218 3.902 4.120 -0.000 0.000 0.244 308 V C 2.128 178.071 176.094 -0.252 0.000 1.042 308 V CA 1.535 63.742 62.300 -0.155 0.000 1.006 308 V CB -0.681 31.077 31.823 -0.107 0.000 0.641 308 V HN 0.304 nan 8.190 nan 0.000 0.446 309 L N 0.617 121.643 121.223 -0.328 0.000 2.042 309 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 309 L C 2.677 179.024 176.870 -0.872 0.000 1.076 309 L CA 1.836 56.290 54.840 -0.644 0.000 0.749 309 L CB -1.264 40.415 42.059 -0.634 0.000 0.893 309 L HN 0.498 nan 8.230 nan 0.000 0.432 310 G N -0.390 108.128 108.800 -0.470 0.000 2.440 310 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 310 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 310 G C 1.768 176.570 174.900 -0.162 0.000 1.154 310 G CA 0.839 45.794 45.100 -0.240 0.000 0.767 310 G HN 0.479 nan 8.290 nan 0.000 0.552 311 A N 0.753 123.454 122.820 -0.198 0.000 1.930 311 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 311 A C 2.679 180.199 177.584 -0.105 0.000 1.175 311 A CA 2.000 53.938 52.037 -0.165 0.000 0.627 311 A CB -0.908 17.987 19.000 -0.175 0.000 0.815 311 A HN 0.505 nan 8.150 nan 0.000 0.443 312 G N -1.206 107.498 108.800 -0.160 0.000 2.408 312 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.217 312 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.217 312 G C 1.270 176.253 174.900 0.139 0.000 1.150 312 G CA 0.951 46.006 45.100 -0.075 0.000 0.776 312 G HN 0.374 nan 8.290 nan 0.000 0.542 313 F N 1.715 121.671 119.950 0.009 0.000 2.186 313 F HA 0.045 4.572 4.527 -0.000 0.000 0.299 313 F C 2.259 178.084 175.800 0.041 0.000 1.090 313 F CA 0.327 58.343 58.000 0.028 0.000 1.307 313 F CB -0.535 38.474 39.000 0.016 0.000 1.019 313 F HN 0.120 nan 8.300 nan 0.000 0.489 314 D N -0.677 119.849 120.400 0.210 0.000 2.224 314 D HA -0.090 4.549 4.640 -0.000 0.000 0.205 314 D C 2.180 178.586 176.300 0.178 0.000 0.965 314 D CA 1.290 55.379 54.000 0.149 0.000 0.852 314 D CB -0.281 40.553 40.800 0.057 0.000 0.947 314 D HN 0.204 nan 8.370 nan 0.000 0.494 315 T N 1.149 115.802 114.554 0.165 0.000 2.812 315 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 315 T C 1.904 176.770 174.700 0.277 0.000 1.042 315 T CA 0.307 62.544 62.100 0.228 0.000 1.140 315 T CB -0.153 68.802 68.868 0.145 0.000 0.870 315 T HN 0.038 nan 8.240 nan 0.000 0.445 316 L N 1.572 122.920 121.223 0.208 0.000 2.083 316 L HA 0.121 4.461 4.340 -0.000 0.000 0.209 316 L C 2.559 179.546 176.870 0.194 0.000 1.083 316 L CA 1.691 56.629 54.840 0.164 0.000 0.752 316 L CB -0.992 41.148 42.059 0.136 0.000 0.899 316 L HN 0.211 nan 8.230 nan 0.000 0.433 317 A N -1.164 121.772 122.820 0.194 0.000 1.902 317 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 317 A C 2.129 179.849 177.584 0.227 0.000 1.181 317 A CA 1.756 53.896 52.037 0.172 0.000 0.623 317 A CB -1.440 17.653 19.000 0.156 0.000 0.818 317 A HN 0.739 nan 8.150 nan 0.000 0.443 318 W N 0.339 121.696 121.300 0.095 0.000 2.379 318 W HA -0.174 4.486 4.660 -0.000 0.000 0.307 318 W C 2.254 178.837 176.519 0.107 0.000 1.200 318 W CA 1.881 59.277 57.345 0.085 0.000 1.297 318 W CB -0.715 28.789 29.460 0.073 0.000 1.140 318 W HN 0.628 nan 8.180 nan 0.000 0.507 319 H N 0.226 119.236 119.070 -0.100 0.000 2.319 319 H HA -0.179 4.377 4.556 -0.000 0.000 0.297 319 H C 1.386 176.594 175.328 -0.201 0.000 1.097 319 H CA 2.451 58.335 56.048 -0.275 0.000 1.285 319 H CB -0.569 29.145 29.762 -0.080 0.000 1.368 319 H HN 0.055 nan 8.280 nan 0.000 0.495 320 D N 0.245 120.694 120.400 0.082 0.000 2.144 320 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 320 D C 2.617 178.882 176.300 -0.058 0.000 0.984 320 D CA 0.652 54.671 54.000 0.032 0.000 0.834 320 D CB -0.222 40.637 40.800 0.099 0.000 0.955 320 D HN 0.394 nan 8.370 nan 0.000 0.465 321 R N 0.250 120.722 120.500 -0.047 0.000 2.070 321 R HA -0.059 4.281 4.340 -0.000 0.000 0.233 321 R C 2.355 178.592 176.300 -0.106 0.000 1.137 321 R CA 0.793 56.875 56.100 -0.030 0.000 0.945 321 R CB -0.515 29.813 30.300 0.047 0.000 0.845 321 R HN 0.097 nan 8.270 nan 0.000 0.430 322 V N 1.470 121.240 119.914 -0.239 0.000 2.343 322 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 322 V C 2.228 178.170 176.094 -0.253 0.000 1.051 322 V CA 1.445 63.584 62.300 -0.269 0.000 1.036 322 V CB -0.440 31.109 31.823 -0.458 0.000 0.654 322 V HN 0.237 nan 8.190 nan 0.000 0.451 323 L N -0.028 121.003 121.223 -0.319 0.000 2.093 323 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 323 L C 2.438 179.218 176.870 -0.149 0.000 1.085 323 L CA 2.321 57.000 54.840 -0.268 0.000 0.755 323 L CB -0.957 40.892 42.059 -0.350 0.000 0.904 323 L HN 0.330 nan 8.230 nan 0.000 0.435 324 T N -0.169 114.323 114.554 -0.104 0.000 2.788 324 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 324 T C 1.968 176.648 174.700 -0.034 0.000 1.044 324 T CA 1.932 64.005 62.100 -0.046 0.000 1.139 324 T CB -0.270 68.613 68.868 0.024 0.000 0.867 324 T HN 0.312 nan 8.240 nan 0.000 0.454 325 I N 0.630 121.168 120.570 -0.054 0.000 2.202 325 I HA -0.137 4.033 4.170 -0.000 0.000 0.242 325 I C 2.727 178.790 176.117 -0.090 0.000 1.091 325 I CA 1.264 62.529 61.300 -0.058 0.000 1.368 325 I CB -0.297 37.647 38.000 -0.095 0.000 1.058 325 I HN 0.203 nan 8.210 nan 0.000 0.410 326 E N 1.316 121.440 120.200 -0.125 0.000 2.058 326 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 326 E C 2.036 178.584 176.600 -0.088 0.000 0.997 326 E CA 1.390 57.719 56.400 -0.120 0.000 0.801 326 E CB -0.315 29.310 29.700 -0.126 0.000 0.746 326 E HN 0.296 nan 8.360 nan 0.000 0.450 327 L N 1.046 122.216 121.223 -0.088 0.000 2.042 327 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 327 L C 1.239 178.059 176.870 -0.083 0.000 1.076 327 L CA 1.892 56.682 54.840 -0.083 0.000 0.749 327 L CB -0.509 41.493 42.059 -0.096 0.000 0.893 327 L HN 0.158 nan 8.230 nan 0.000 0.432 328 N N -0.068 118.583 118.700 -0.082 0.000 2.322 328 N HA 0.184 4.924 4.740 -0.000 0.000 0.194 328 N C 0.317 175.811 175.510 -0.026 0.000 1.126 328 N CA 0.641 53.656 53.050 -0.058 0.000 0.845 328 N CB 0.174 38.645 38.487 -0.027 0.000 0.976 328 N HN 0.444 nan 8.380 nan 0.000 0.475 329 A N 0.160 122.954 122.820 -0.043 0.000 2.261 329 A HA 0.601 4.921 4.320 -0.000 0.000 0.323 329 A C -0.054 177.508 177.584 -0.037 0.000 1.107 329 A CA -0.413 51.599 52.037 -0.043 0.000 0.883 329 A CB 1.063 20.021 19.000 -0.069 0.000 1.251 329 A HN -0.041 nan 8.150 nan 0.000 0.502 330 V N 1.202 121.094 119.914 -0.038 0.000 2.311 330 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 330 V C 0.877 176.949 176.094 -0.038 0.000 1.022 330 V CA 0.391 62.674 62.300 -0.029 0.000 0.830 330 V CB 0.675 32.483 31.823 -0.025 0.000 1.012 330 V HN 1.038 nan 8.190 nan 0.000 0.452 331 T N -0.683 113.859 114.554 -0.020 0.000 3.145 331 T HA 0.190 4.540 4.350 -0.000 0.000 0.255 331 T C 0.186 174.907 174.700 0.035 0.000 1.039 331 T CA -0.520 61.574 62.100 -0.010 0.000 0.928 331 T CB -0.330 68.543 68.868 0.009 0.000 1.029 331 T HN 0.546 nan 8.240 nan 0.000 0.554 332 D N 2.467 122.880 120.400 0.022 0.000 2.357 332 D HA 0.490 5.130 4.640 -0.000 0.000 0.242 332 D C -0.085 176.235 176.300 0.033 0.000 1.153 332 D CA 0.044 54.073 54.000 0.048 0.000 0.918 332 D CB 0.434 41.247 40.800 0.020 0.000 1.181 332 D HN 0.317 nan 8.370 nan 0.000 0.435 333 N N 0.045 118.798 118.700 0.088 0.000 2.503 333 N HA 0.293 5.033 4.740 -0.000 0.000 0.287 333 N C -2.928 172.619 175.510 0.062 0.000 1.096 333 N CA -1.360 51.717 53.050 0.044 0.000 0.936 333 N CB 1.866 40.502 38.487 0.247 0.000 1.570 333 N HN 0.029 nan 8.380 nan 0.000 0.504 334 P HA 0.334 nan 4.420 nan 0.000 0.279 334 P C -0.907 176.070 177.300 -0.538 0.000 1.282 334 P CA -0.463 62.373 63.100 -0.440 0.000 0.788 334 P CB 1.017 32.267 31.700 -0.749 0.000 1.139 335 V N -3.496 116.017 119.914 -0.668 0.000 2.914 335 V HA 0.632 4.752 4.120 -0.000 0.000 0.314 335 V C -0.985 174.633 176.094 -0.794 0.000 1.084 335 V CA -0.948 60.992 62.300 -0.600 0.000 0.963 335 V CB 1.599 33.266 31.823 -0.261 0.000 1.025 335 V HN 0.223 nan 8.190 nan 0.000 0.432 336 F N 2.067 121.998 119.950 -0.031 0.000 2.325 336 F HA 0.612 5.139 4.527 -0.000 0.000 0.369 336 F C -2.407 173.385 175.800 -0.013 0.000 1.095 336 F CA -2.574 55.414 58.000 -0.018 0.000 1.082 336 F CB 1.338 40.335 39.000 -0.006 0.000 1.289 336 F HN 0.295 nan 8.300 nan 0.000 0.462 337 P HA 0.019 nan 4.420 nan 0.000 0.258 337 P C -2.009 175.333 177.300 0.069 0.000 1.187 337 P CA -0.682 62.449 63.100 0.052 0.000 0.767 337 P CB 0.458 32.176 31.700 0.029 0.000 0.770 338 P HA -0.190 nan 4.420 nan 0.000 0.218 338 P C 0.917 178.237 177.300 0.033 0.000 1.148 338 P CA 1.382 64.508 63.100 0.044 0.000 0.822 338 P CB -0.094 31.624 31.700 0.031 0.000 0.784 339 D N -1.604 118.812 120.400 0.028 0.000 2.348 339 D HA -0.002 4.638 4.640 -0.000 0.000 0.216 339 D C 1.498 177.814 176.300 0.026 0.000 0.970 339 D CA 1.060 55.073 54.000 0.022 0.000 0.889 339 D CB -1.205 39.605 40.800 0.016 0.000 0.912 339 D HN 0.209 nan 8.370 nan 0.000 0.524 340 G N 0.102 108.924 108.800 0.037 0.000 2.162 340 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.260 340 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.260 340 G C 1.246 176.168 174.900 0.037 0.000 0.976 340 G CA 1.223 46.348 45.100 0.041 0.000 0.655 340 G HN 0.641 nan 8.290 nan 0.000 0.533 341 S N -1.208 114.510 115.700 0.030 0.000 2.359 341 S HA 0.112 4.582 4.470 -0.000 0.000 0.223 341 S C 1.280 175.898 174.600 0.031 0.000 1.039 341 S CA 2.077 60.292 58.200 0.025 0.000 1.042 341 S CB -0.617 62.593 63.200 0.017 0.000 0.915 341 S HN 2.041 nan 8.310 nan 0.000 0.439 342 V N -3.108 116.829 119.914 0.038 0.000 3.040 342 V HA 0.572 4.692 4.120 -0.000 0.000 0.312 342 V C -2.446 173.692 176.094 0.073 0.000 1.115 342 V CA -2.239 60.090 62.300 0.048 0.000 0.998 342 V CB 1.306 33.152 31.823 0.037 0.000 1.042 342 V HN -0.090 nan 8.190 nan 0.000 0.433 343 P HA 0.195 nan 4.420 nan 0.000 0.217 343 P C 0.278 177.703 177.300 0.208 0.000 1.150 343 P CA 2.100 65.287 63.100 0.145 0.000 0.832 343 P CB 0.183 31.967 31.700 0.140 0.000 0.787 344 A N -1.976 120.910 122.820 0.111 0.000 2.597 344 A HA 0.621 4.941 4.320 -0.000 0.000 0.292 344 A C -1.873 175.655 177.584 -0.093 0.000 1.057 344 A CA -0.564 51.444 52.037 -0.048 0.000 0.674 344 A CB 0.414 19.359 19.000 -0.093 0.000 1.278 344 A HN -0.059 nan 8.150 nan 0.000 0.416 345 L N 1.161 122.234 121.223 -0.250 0.000 2.346 345 L HA 0.637 4.977 4.340 -0.000 0.000 0.274 345 L C -0.958 175.717 176.870 -0.325 0.000 1.007 345 L CA -0.700 54.042 54.840 -0.163 0.000 0.818 345 L CB 2.167 44.148 42.059 -0.131 0.000 1.284 345 L HN 0.841 nan 8.230 nan 0.000 0.424 346 H N 0.916 119.919 119.070 -0.112 0.000 2.547 346 H HA 0.770 5.326 4.556 -0.000 0.000 0.342 346 H C 0.140 175.402 175.328 -0.109 0.000 1.048 346 H CA -0.164 55.819 56.048 -0.109 0.000 1.204 346 H CB 2.036 31.738 29.762 -0.100 0.000 1.493 346 H HN 0.751 nan 8.280 nan 0.000 0.511 347 G N 0.601 109.372 108.800 -0.049 0.000 2.694 347 G HA2 0.437 4.397 3.960 -0.000 0.000 0.246 347 G HA3 0.437 4.397 3.960 -0.000 0.000 0.246 347 G C -0.332 174.405 174.900 -0.270 0.000 1.205 347 G CA -0.267 44.761 45.100 -0.121 0.000 0.891 347 G HN 0.680 nan 8.290 nan 0.000 0.515 348 G N 0.056 108.584 108.800 -0.454 0.000 4.716 348 G HA2 0.299 4.259 3.960 -0.000 0.000 0.282 348 G HA3 0.299 4.259 3.960 -0.000 0.000 0.282 348 G C 0.258 174.559 174.900 -0.999 0.000 1.173 348 G CA -0.135 44.336 45.100 -1.048 0.000 0.913 348 G HN 0.267 nan 8.290 nan 0.000 0.566 349 N N 0.901 119.224 118.700 -0.627 0.000 2.609 349 N HA -0.047 4.693 4.740 -0.000 0.000 0.190 349 N C 1.428 176.789 175.510 -0.248 0.000 1.157 349 N CA 0.358 53.203 53.050 -0.343 0.000 0.918 349 N CB -0.146 38.227 38.487 -0.191 0.000 0.978 349 N HN 0.634 nan 8.380 nan 0.000 0.448 350 F N -1.313 118.620 119.950 -0.027 0.000 2.776 350 F HA 0.350 4.877 4.527 -0.000 0.000 0.300 350 F C 0.796 176.594 175.800 -0.003 0.000 1.116 350 F CA -0.882 57.108 58.000 -0.018 0.000 1.375 350 F CB -0.728 38.260 39.000 -0.019 0.000 1.109 350 F HN -0.171 nan 8.300 nan 0.000 0.585 351 M N 2.791 122.409 119.600 0.031 0.000 2.350 351 M HA 0.356 4.836 4.480 -0.000 0.000 0.338 351 M C 0.977 177.335 176.300 0.097 0.000 1.559 351 M CA -0.527 54.852 55.300 0.132 0.000 1.217 351 M CB 0.107 32.702 32.600 -0.008 0.000 1.808 351 M HN 0.244 nan 8.290 nan 0.000 0.458 352 G N 3.489 112.361 108.800 0.119 0.000 3.397 352 G HA2 0.023 3.983 3.960 -0.000 0.000 0.248 352 G HA3 0.023 3.983 3.960 -0.000 0.000 0.248 352 G C 0.690 175.632 174.900 0.069 0.000 1.284 352 G CA -0.181 44.971 45.100 0.086 0.000 1.570 352 G HN 0.814 nan 8.290 nan 0.000 0.587 353 Q N 0.019 119.857 119.800 0.065 0.000 2.167 353 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 353 Q C 1.945 177.918 176.000 -0.044 0.000 0.970 353 Q CA 1.454 57.259 55.803 0.004 0.000 0.855 353 Q CB -0.117 28.600 28.738 -0.035 0.000 0.911 353 Q HN 0.721 nan 8.270 nan 0.000 0.438 354 H N -1.707 117.343 119.070 -0.032 0.000 2.321 354 H HA -0.063 4.493 4.556 -0.000 0.000 0.300 354 H C 1.814 177.065 175.328 -0.129 0.000 1.087 354 H CA 1.734 57.736 56.048 -0.077 0.000 1.319 354 H CB -0.034 29.669 29.762 -0.099 0.000 1.379 354 H HN 0.066 nan 8.280 nan 0.000 0.501 355 V N 0.502 120.425 119.914 0.016 0.000 2.515 355 V HA -0.213 3.906 4.120 -0.000 0.000 0.250 355 V C 2.491 178.576 176.094 -0.015 0.000 1.058 355 V CA 1.394 63.665 62.300 -0.048 0.000 1.064 355 V CB -0.903 30.904 31.823 -0.026 0.000 0.675 355 V HN 0.568 nan 8.190 nan 0.000 0.461 356 A N -0.016 122.809 122.820 0.009 0.000 1.877 356 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 356 A C 2.206 179.808 177.584 0.029 0.000 1.186 356 A CA 1.786 53.838 52.037 0.026 0.000 0.620 356 A CB -0.495 18.523 19.000 0.029 0.000 0.822 356 A HN 0.486 nan 8.150 nan 0.000 0.443 357 L N -0.194 121.037 121.223 0.013 0.000 2.072 357 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 357 L C 3.006 179.930 176.870 0.090 0.000 1.079 357 L CA 1.785 56.664 54.840 0.065 0.000 0.752 357 L CB -0.920 41.193 42.059 0.090 0.000 0.906 357 L HN 0.659 nan 8.230 nan 0.000 0.436 358 T N -4.431 110.075 114.554 -0.080 0.000 2.821 358 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 358 T C 2.036 176.816 174.700 0.134 0.000 1.046 358 T CA 1.297 63.297 62.100 -0.167 0.000 1.139 358 T CB -0.263 68.281 68.868 -0.540 0.000 0.871 358 T HN 0.117 nan 8.240 nan 0.000 0.454 359 S N 1.644 117.418 115.700 0.123 0.000 2.356 359 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 359 S C 1.877 176.542 174.600 0.108 0.000 1.032 359 S CA 1.279 59.572 58.200 0.155 0.000 1.005 359 S CB -0.564 62.703 63.200 0.111 0.000 0.867 359 S HN 0.525 nan 8.310 nan 0.000 0.449 360 D N 1.549 122.007 120.400 0.096 0.000 2.144 360 D HA 0.003 4.643 4.640 -0.000 0.000 0.199 360 D C 2.097 178.454 176.300 0.094 0.000 0.984 360 D CA 1.166 55.216 54.000 0.083 0.000 0.834 360 D CB -0.408 40.436 40.800 0.074 0.000 0.955 360 D HN 0.376 nan 8.370 nan 0.000 0.465 361 A N 0.678 123.590 122.820 0.152 0.000 1.898 361 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 361 A C 2.137 179.796 177.584 0.124 0.000 1.181 361 A CA 0.897 53.042 52.037 0.180 0.000 0.620 361 A CB -0.671 18.558 19.000 0.380 0.000 0.819 361 A HN 0.239 nan 8.150 nan 0.000 0.442 362 L N -0.157 121.136 121.223 0.116 0.000 2.083 362 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 362 L C 2.641 179.504 176.870 -0.012 0.000 1.083 362 L CA 2.078 56.934 54.840 0.028 0.000 0.752 362 L CB -0.827 41.180 42.059 -0.087 0.000 0.899 362 L HN 0.345 nan 8.230 nan 0.000 0.433 363 A N -1.615 121.210 122.820 0.009 0.000 1.908 363 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 363 A C 2.264 179.827 177.584 -0.036 0.000 1.181 363 A CA 2.337 54.371 52.037 -0.005 0.000 0.627 363 A CB -1.176 17.837 19.000 0.022 0.000 0.818 363 A HN 0.510 nan 8.150 nan 0.000 0.445 364 T N 0.154 114.696 114.554 -0.020 0.000 2.777 364 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 364 T C 2.241 176.888 174.700 -0.088 0.000 1.040 364 T CA 1.494 63.570 62.100 -0.040 0.000 1.141 364 T CB -0.434 68.425 68.868 -0.015 0.000 0.868 364 T HN 0.598 nan 8.240 nan 0.000 0.444 365 A N 0.987 123.757 122.820 -0.083 0.000 1.902 365 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 365 A C 2.573 179.993 177.584 -0.274 0.000 1.181 365 A CA 1.295 53.251 52.037 -0.136 0.000 0.623 365 A CB -1.019 17.937 19.000 -0.073 0.000 0.818 365 A HN 0.351 nan 8.150 nan 0.000 0.443 366 V N -0.290 119.453 119.914 -0.284 0.000 2.343 366 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 366 V C 2.738 178.511 176.094 -0.535 0.000 1.051 366 V CA 2.469 64.462 62.300 -0.512 0.000 1.036 366 V CB -1.191 30.497 31.823 -0.226 0.000 0.654 366 V HN 0.611 nan 8.190 nan 0.000 0.451 367 T N -0.197 114.188 114.554 -0.281 0.000 2.788 367 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 367 T C 1.936 176.498 174.700 -0.229 0.000 1.044 367 T CA 1.535 63.510 62.100 -0.209 0.000 1.139 367 T CB -0.159 68.644 68.868 -0.108 0.000 0.867 367 T HN 0.278 nan 8.240 nan 0.000 0.454 368 V N 1.183 120.960 119.914 -0.228 0.000 2.307 368 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 368 V C 2.402 178.349 176.094 -0.246 0.000 1.045 368 V CA 1.338 63.524 62.300 -0.191 0.000 1.024 368 V CB -0.563 31.164 31.823 -0.159 0.000 0.651 368 V HN 0.317 nan 8.190 nan 0.000 0.449 369 L N 0.368 121.350 121.223 -0.402 0.000 2.093 369 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 369 L C 2.546 179.182 176.870 -0.391 0.000 1.085 369 L CA 2.103 56.690 54.840 -0.421 0.000 0.755 369 L CB -1.171 40.516 42.059 -0.620 0.000 0.904 369 L HN 0.291 nan 8.230 nan 0.000 0.435 370 A N -0.599 121.846 122.820 -0.626 0.000 1.969 370 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 370 A C 2.423 179.970 177.584 -0.061 0.000 1.169 370 A CA 1.452 53.317 52.037 -0.287 0.000 0.635 370 A CB -1.199 17.652 19.000 -0.247 0.000 0.810 370 A HN 0.423 nan 8.150 nan 0.000 0.445 371 G N -0.127 108.611 108.800 -0.103 0.000 2.408 371 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 371 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 371 G C 1.463 176.361 174.900 -0.004 0.000 1.150 371 G CA 1.154 46.231 45.100 -0.039 0.000 0.776 371 G HN 0.497 nan 8.290 nan 0.000 0.542 372 L N 1.406 122.621 121.223 -0.013 0.000 2.017 372 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 372 L C 3.002 179.912 176.870 0.068 0.000 1.073 372 L CA 2.263 57.118 54.840 0.026 0.000 0.745 372 L CB -0.760 41.306 42.059 0.012 0.000 0.894 372 L HN 0.210 nan 8.230 nan 0.000 0.432 373 A N -0.921 121.964 122.820 0.108 0.000 1.933 373 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 373 A C 2.317 179.960 177.584 0.098 0.000 1.175 373 A CA 1.633 53.754 52.037 0.141 0.000 0.628 373 A CB -0.746 18.400 19.000 0.242 0.000 0.814 373 A HN 0.583 nan 8.150 nan 0.000 0.444 374 E N 0.049 120.300 120.200 0.084 0.000 2.110 374 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 374 E C 2.014 178.647 176.600 0.055 0.000 0.988 374 E CA 0.860 57.299 56.400 0.065 0.000 0.804 374 E CB -0.206 29.526 29.700 0.052 0.000 0.745 374 E HN 0.380 nan 8.360 nan 0.000 0.458 375 R N 0.288 120.818 120.500 0.049 0.000 2.148 375 R HA -0.024 4.316 4.340 -0.000 0.000 0.223 375 R C 2.345 178.673 176.300 0.048 0.000 1.088 375 R CA 0.745 56.871 56.100 0.044 0.000 0.985 375 R CB -0.320 30.003 30.300 0.040 0.000 0.880 375 R HN 0.400 nan 8.270 nan 0.000 0.451 376 Q N 0.004 119.838 119.800 0.058 0.000 2.119 376 Q HA -0.009 4.330 4.340 -0.000 0.000 0.201 376 Q C 2.151 178.175 176.000 0.040 0.000 0.972 376 Q CA 1.013 56.851 55.803 0.057 0.000 0.847 376 Q CB -0.024 28.758 28.738 0.074 0.000 0.903 376 Q HN 0.306 nan 8.270 nan 0.000 0.433 377 I N 0.619 121.214 120.570 0.041 0.000 2.202 377 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 377 I C 2.436 178.579 176.117 0.044 0.000 1.091 377 I CA 0.872 62.189 61.300 0.029 0.000 1.368 377 I CB -0.431 37.592 38.000 0.038 0.000 1.058 377 I HN 0.143 nan 8.210 nan 0.000 0.410 378 A N 0.866 123.718 122.820 0.053 0.000 1.940 378 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 378 A C 2.439 180.041 177.584 0.029 0.000 1.176 378 A CA 2.005 54.077 52.037 0.059 0.000 0.631 378 A CB -0.652 18.380 19.000 0.053 0.000 0.814 378 A HN 0.394 nan 8.150 nan 0.000 0.446 379 R N -0.986 119.526 120.500 0.019 0.000 2.062 379 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 379 R C 2.036 178.326 176.300 -0.017 0.000 1.125 379 R CA 1.390 57.491 56.100 0.001 0.000 0.966 379 R CB -0.403 29.905 30.300 0.013 0.000 0.861 379 R HN 0.398 nan 8.270 nan 0.000 0.433 380 L N 1.190 122.408 121.223 -0.009 0.000 2.131 380 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 380 L C 1.925 178.766 176.870 -0.049 0.000 1.092 380 L CA 2.372 57.197 54.840 -0.025 0.000 0.759 380 L CB -0.417 41.627 42.059 -0.024 0.000 0.903 380 L HN 0.435 nan 8.230 nan 0.000 0.435 381 T N -4.320 110.209 114.554 -0.042 0.000 3.081 381 T HA 0.030 4.380 4.350 -0.000 0.000 0.250 381 T C 0.736 175.230 174.700 -0.343 0.000 1.100 381 T CA -0.122 61.927 62.100 -0.085 0.000 1.038 381 T CB -0.442 68.506 68.868 0.134 0.000 0.962 381 T HN 0.244 nan 8.240 nan 0.000 0.516 382 D N 2.647 122.912 120.400 -0.224 0.000 2.347 382 D HA 0.069 4.709 4.640 -0.000 0.000 0.235 382 D C 1.302 177.478 176.300 -0.206 0.000 1.149 382 D CA -0.287 53.559 54.000 -0.256 0.000 0.850 382 D CB 1.262 41.994 40.800 -0.113 0.000 1.061 382 D HN 0.610 nan 8.370 nan 0.000 0.487 383 E N 3.269 123.318 120.200 -0.251 0.000 2.331 383 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 383 E C 1.004 177.554 176.600 -0.084 0.000 1.008 383 E CA 0.777 57.092 56.400 -0.142 0.000 0.843 383 E CB 0.102 29.731 29.700 -0.119 0.000 0.761 383 E HN 0.361 nan 8.360 nan 0.000 0.507 384 R N -0.017 120.434 120.500 -0.080 0.000 2.276 384 R HA 0.192 4.532 4.340 -0.000 0.000 0.196 384 R C 1.656 177.930 176.300 -0.043 0.000 0.961 384 R CA 0.475 56.546 56.100 -0.049 0.000 1.024 384 R CB 0.226 30.503 30.300 -0.038 0.000 0.940 384 R HN 0.265 nan 8.270 nan 0.000 0.480 385 L N 0.028 121.220 121.223 -0.052 0.000 2.878 385 L HA 0.138 4.477 4.340 -0.000 0.000 0.253 385 L C 0.511 177.359 176.870 -0.036 0.000 1.135 385 L CA -0.126 54.691 54.840 -0.039 0.000 0.943 385 L CB 0.242 42.280 42.059 -0.035 0.000 1.307 385 L HN 0.109 nan 8.230 nan 0.000 0.545 386 N N 0.832 119.503 118.700 -0.048 0.000 2.322 386 N HA -0.017 4.723 4.740 -0.000 0.000 0.216 386 N C -0.004 175.488 175.510 -0.030 0.000 1.144 386 N CA -0.364 52.663 53.050 -0.039 0.000 0.830 386 N CB -0.146 38.310 38.487 -0.053 0.000 1.034 386 N HN 0.058 nan 8.380 nan 0.000 0.484 387 R N -0.205 120.278 120.500 -0.028 0.000 3.127 387 R HA -0.170 4.170 4.340 -0.000 0.000 0.247 387 R C 0.792 177.080 176.300 -0.020 0.000 0.896 387 R CA 0.523 56.610 56.100 -0.022 0.000 0.624 387 R CB -2.106 28.183 30.300 -0.018 0.000 1.154 387 R HN 0.629 nan 8.270 nan 0.000 0.474 388 G N -0.811 107.976 108.800 -0.021 0.000 2.175 388 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 388 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 388 G C 0.259 175.148 174.900 -0.019 0.000 0.982 388 G CA 0.095 45.185 45.100 -0.017 0.000 0.641 388 G HN 0.298 nan 8.290 nan 0.000 0.527 389 L N 1.419 122.627 121.223 -0.025 0.000 2.418 389 L HA 0.422 4.762 4.340 -0.000 0.000 0.265 389 L C -1.612 175.241 176.870 -0.028 0.000 1.143 389 L CA -2.075 52.748 54.840 -0.027 0.000 0.809 389 L CB 0.755 42.797 42.059 -0.028 0.000 1.124 389 L HN -0.098 nan 8.230 nan 0.000 0.456 390 P HA 0.032 nan 4.420 nan 0.000 0.267 390 P C -2.471 174.857 177.300 0.047 0.000 1.200 390 P CA -0.846 62.251 63.100 -0.004 0.000 0.772 390 P CB -0.180 31.405 31.700 -0.192 0.000 0.855 391 P HA -0.004 nan 4.420 nan 0.000 0.267 391 P C -0.255 177.087 177.300 0.070 0.000 1.209 391 P CA 0.334 63.372 63.100 -0.103 0.000 0.763 391 P CB -0.124 31.549 31.700 -0.045 0.000 0.816 392 F N 1.601 121.648 119.950 0.163 0.000 3.034 392 F HA -0.240 4.286 4.527 -0.000 0.000 0.286 392 F C 1.332 177.305 175.800 0.289 0.000 0.804 392 F CA 0.348 58.468 58.000 0.201 0.000 1.161 392 F CB -2.648 36.464 39.000 0.186 0.000 1.317 392 F HN 0.274 nan 8.300 nan 0.000 0.453 393 L N -1.783 119.601 121.223 0.270 0.000 3.839 393 L HA -0.321 4.019 4.340 -0.000 0.000 0.416 393 L C 1.374 178.401 176.870 0.261 0.000 1.195 393 L CA 1.043 56.018 54.840 0.226 0.000 0.946 393 L CB -2.060 40.135 42.059 0.228 0.000 1.891 393 L HN 0.707 nan 8.230 nan 0.000 0.963 394 H N 0.548 119.750 119.070 0.220 0.000 2.660 394 H HA 0.649 5.205 4.556 -0.000 0.000 0.374 394 H C 0.299 175.689 175.328 0.102 0.000 1.291 394 H CA -0.335 55.801 56.048 0.146 0.000 1.437 394 H CB 0.834 30.670 29.762 0.124 0.000 1.509 394 H HN 0.296 nan 8.280 nan 0.000 0.614 395 R N -0.408 120.101 120.500 0.016 0.000 2.888 395 R HA 0.476 4.816 4.340 -0.000 0.000 0.266 395 R C -0.338 176.066 176.300 0.173 0.000 1.020 395 R CA -0.241 55.842 56.100 -0.029 0.000 0.963 395 R CB 2.125 32.431 30.300 0.010 0.000 1.197 395 R HN 1.112 nan 8.270 nan 0.000 0.481 396 G N 1.350 110.222 108.800 0.120 0.000 2.760 396 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.246 396 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.246 396 G C -2.722 172.306 174.900 0.215 0.000 1.359 396 G CA -1.229 43.953 45.100 0.138 0.000 0.861 396 G HN 0.386 nan 8.290 nan 0.000 0.541 397 P HA 0.454 nan 4.420 nan 0.000 0.264 397 P C 0.357 177.675 177.300 0.029 0.000 1.193 397 P CA 0.830 63.990 63.100 0.099 0.000 0.763 397 P CB 0.747 32.474 31.700 0.044 0.000 0.810 398 A N 3.497 126.321 122.820 0.005 0.000 2.477 398 A HA 0.482 4.802 4.320 -0.000 0.000 0.246 398 A C 1.546 179.022 177.584 -0.179 0.000 1.078 398 A CA 0.874 52.721 52.037 -0.316 0.000 0.770 398 A CB -0.947 17.991 19.000 -0.103 0.000 1.011 398 A HN 0.809 nan 8.150 nan 0.000 0.494 399 G N 0.822 109.496 108.800 -0.211 0.000 3.079 399 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.214 399 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.214 399 G C 1.110 175.959 174.900 -0.085 0.000 1.335 399 G CA 0.403 45.444 45.100 -0.099 0.000 0.822 399 G HN 0.797 nan 8.290 nan 0.000 0.545 400 L N 1.081 122.262 121.223 -0.070 0.000 2.131 400 L HA 0.116 4.456 4.340 -0.000 0.000 0.210 400 L C 0.895 177.734 176.870 -0.051 0.000 1.092 400 L CA 1.022 55.835 54.840 -0.044 0.000 0.759 400 L CB -0.273 41.774 42.059 -0.020 0.000 0.903 400 L HN 0.329 nan 8.230 nan 0.000 0.435 401 N N -1.393 117.257 118.700 -0.082 0.000 2.314 401 N HA 0.200 4.940 4.740 -0.000 0.000 0.304 401 N C -0.053 175.386 175.510 -0.119 0.000 1.073 401 N CA -0.105 52.909 53.050 -0.060 0.000 0.822 401 N CB 2.070 40.584 38.487 0.045 0.000 1.280 401 N HN -0.183 nan 8.380 nan 0.000 0.489 402 S N 0.043 115.713 115.700 -0.049 0.000 2.666 402 S HA 0.243 4.713 4.470 -0.000 0.000 0.239 402 S C 1.248 175.887 174.600 0.066 0.000 1.031 402 S CA 0.008 58.189 58.200 -0.032 0.000 1.015 402 S CB 0.618 63.749 63.200 -0.114 0.000 0.981 402 S HN 0.927 nan 8.310 nan 0.000 0.547 403 G N 2.561 111.401 108.800 0.067 0.000 2.665 403 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.326 403 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.326 403 G C 0.280 175.094 174.900 -0.143 0.000 1.231 403 G CA 0.940 46.048 45.100 0.014 0.000 0.992 403 G HN 0.470 nan 8.290 nan 0.000 0.549 404 F N 1.323 121.356 119.950 0.138 0.000 2.664 404 F HA 0.453 4.980 4.527 -0.000 0.000 0.301 404 F C 2.433 178.255 175.800 0.037 0.000 1.126 404 F CA 0.930 58.986 58.000 0.093 0.000 1.373 404 F CB 0.120 39.194 39.000 0.123 0.000 1.042 404 F HN 0.321 nan 8.300 nan 0.000 0.535 405 M N 0.013 119.608 119.600 -0.008 0.000 2.149 405 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 405 M C 2.331 178.495 176.300 -0.228 0.000 1.064 405 M CA 2.177 57.197 55.300 -0.467 0.000 1.102 405 M CB -0.411 31.644 32.600 -0.909 0.000 1.369 405 M HN 0.308 nan 8.290 nan 0.000 0.408 406 G N -0.790 107.939 108.800 -0.118 0.000 2.394 406 G HA2 -0.084 3.875 3.960 -0.000 0.000 0.214 406 G HA3 -0.084 3.875 3.960 -0.000 0.000 0.214 406 G C 1.480 176.380 174.900 0.000 0.000 1.176 406 G CA 0.689 45.748 45.100 -0.068 0.000 0.786 406 G HN 0.604 nan 8.290 nan 0.000 0.533 407 A N -0.020 122.836 122.820 0.061 0.000 1.978 407 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 407 A C 2.268 179.918 177.584 0.111 0.000 1.170 407 A CA 2.048 54.153 52.037 0.113 0.000 0.636 407 A CB -0.414 18.726 19.000 0.233 0.000 0.810 407 A HN 0.387 nan 8.150 nan 0.000 0.448 408 Q N 0.087 119.966 119.800 0.132 0.000 2.084 408 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 408 Q C 2.086 178.134 176.000 0.081 0.000 0.978 408 Q CA 2.049 57.929 55.803 0.128 0.000 0.844 408 Q CB -0.297 28.566 28.738 0.208 0.000 0.898 408 Q HN 0.433 nan 8.270 nan 0.000 0.426 409 V N 0.503 120.444 119.914 0.046 0.000 2.427 409 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 409 V C 2.366 178.477 176.094 0.028 0.000 1.051 409 V CA 1.998 64.315 62.300 0.028 0.000 1.048 409 V CB -0.811 31.009 31.823 -0.004 0.000 0.666 409 V HN 0.374 nan 8.190 nan 0.000 0.456 410 T N 0.462 115.034 114.554 0.029 0.000 2.746 410 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 410 T C 2.078 176.800 174.700 0.036 0.000 1.039 410 T CA 1.649 63.765 62.100 0.028 0.000 1.142 410 T CB -0.393 68.492 68.868 0.028 0.000 0.866 410 T HN 0.576 nan 8.240 nan 0.000 0.444 411 A N 1.184 124.032 122.820 0.046 0.000 1.908 411 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 411 A C 2.548 180.160 177.584 0.047 0.000 1.181 411 A CA 2.171 54.238 52.037 0.050 0.000 0.627 411 A CB -1.225 17.809 19.000 0.057 0.000 0.818 411 A HN 0.484 nan 8.150 nan 0.000 0.445 412 T N 0.194 114.774 114.554 0.045 0.000 2.788 412 T HA 0.016 4.366 4.350 -0.000 0.000 0.268 412 T C 2.201 176.919 174.700 0.030 0.000 1.044 412 T CA 1.463 63.586 62.100 0.038 0.000 1.139 412 T CB -0.405 68.486 68.868 0.038 0.000 0.867 412 T HN 0.601 nan 8.240 nan 0.000 0.454 413 A N 1.295 124.131 122.820 0.027 0.000 1.902 413 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 413 A C 2.286 179.885 177.584 0.024 0.000 1.181 413 A CA 1.108 53.158 52.037 0.022 0.000 0.623 413 A CB -0.801 18.210 19.000 0.018 0.000 0.818 413 A HN 0.473 nan 8.150 nan 0.000 0.443 414 L N -1.116 120.126 121.223 0.031 0.000 2.046 414 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 414 L C 2.565 179.456 176.870 0.036 0.000 1.077 414 L CA 1.185 56.047 54.840 0.036 0.000 0.747 414 L CB -0.566 41.520 42.059 0.045 0.000 0.896 414 L HN 0.467 nan 8.230 nan 0.000 0.432 415 L N 0.294 121.538 121.223 0.035 0.000 2.027 415 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 415 L C 2.667 179.545 176.870 0.014 0.000 1.074 415 L CA 1.967 56.822 54.840 0.024 0.000 0.745 415 L CB -0.710 41.362 42.059 0.023 0.000 0.898 415 L HN 0.131 nan 8.230 nan 0.000 0.433 416 A N -0.841 121.988 122.820 0.016 0.000 1.940 416 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 416 A C 2.335 179.926 177.584 0.012 0.000 1.176 416 A CA 1.977 54.022 52.037 0.012 0.000 0.631 416 A CB -0.757 18.251 19.000 0.013 0.000 0.814 416 A HN 0.650 nan 8.150 nan 0.000 0.446 417 E N -0.735 119.475 120.200 0.016 0.000 2.106 417 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 417 E C 2.036 178.646 176.600 0.016 0.000 0.984 417 E CA 1.151 57.561 56.400 0.016 0.000 0.806 417 E CB -0.192 29.520 29.700 0.019 0.000 0.750 417 E HN 0.675 nan 8.360 nan 0.000 0.458 418 M N 0.021 119.631 119.600 0.017 0.000 2.108 418 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 418 M C 2.323 178.626 176.300 0.005 0.000 1.066 418 M CA 1.566 56.873 55.300 0.013 0.000 1.107 418 M CB -0.173 32.431 32.600 0.007 0.000 1.356 418 M HN 0.015 nan 8.290 nan 0.000 0.406 419 R N 0.059 120.560 120.500 0.001 0.000 2.148 419 R HA -0.040 4.299 4.340 -0.000 0.000 0.227 419 R C 2.269 178.573 176.300 0.007 0.000 1.103 419 R CA 1.136 57.236 56.100 -0.000 0.000 0.983 419 R CB -0.476 29.822 30.300 -0.002 0.000 0.874 419 R HN 0.381 nan 8.270 nan 0.000 0.451 420 A N 0.609 123.435 122.820 0.010 0.000 2.019 420 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 420 A C 0.929 178.522 177.584 0.017 0.000 1.164 420 A CA 1.107 53.152 52.037 0.012 0.000 0.644 420 A CB -0.065 18.942 19.000 0.011 0.000 0.805 420 A HN 0.144 nan 8.150 nan 0.000 0.449 421 T N 0.052 114.617 114.554 0.019 0.000 2.795 421 T HA 0.546 4.896 4.350 -0.000 0.000 0.282 421 T C 0.472 175.193 174.700 0.035 0.000 0.980 421 T CA 0.037 62.153 62.100 0.026 0.000 1.012 421 T CB 1.545 70.428 68.868 0.024 0.000 0.936 421 T HN 0.399 nan 8.240 nan 0.000 0.457 422 G N 2.857 111.691 108.800 0.057 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 -2.644 172.305 174.900 0.081 0.000 1.365 422 G CA -1.546 43.592 45.100 0.063 0.000 1.041 422 G HN 0.444 nan 8.290 nan 0.000 0.560 423 P HA 0.274 nan 4.420 nan 0.000 0.266 423 P C 0.310 177.680 177.300 0.118 0.000 1.195 423 P CA 0.360 63.499 63.100 0.066 0.000 0.768 423 P CB 1.380 33.095 31.700 0.025 0.000 0.838 424 A N 2.039 124.928 122.820 0.115 0.000 1.997 424 A HA -0.040 4.280 4.320 -0.000 0.000 0.212 424 A C 2.048 179.711 177.584 0.131 0.000 1.178 424 A CA 1.021 53.163 52.037 0.174 0.000 0.698 424 A CB -0.993 18.076 19.000 0.114 0.000 0.842 424 A HN 0.475 nan 8.150 nan 0.000 0.458 425 S N 0.647 116.379 115.700 0.052 0.000 2.419 425 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 425 S C 1.692 176.265 174.600 -0.044 0.000 1.019 425 S CA 1.561 59.771 58.200 0.016 0.000 0.982 425 S CB -0.698 62.509 63.200 0.012 0.000 0.789 425 S HN 0.791 nan 8.310 nan 0.000 0.490 426 I N -1.290 119.185 120.570 -0.158 0.000 3.444 426 I HA 0.043 4.213 4.170 -0.000 0.000 0.287 426 I C 0.734 176.634 176.117 -0.362 0.000 1.302 426 I CA 1.008 62.145 61.300 -0.272 0.000 1.368 426 I CB -0.370 37.417 38.000 -0.355 0.000 1.048 426 I HN 0.169 nan 8.210 nan 0.000 0.487 427 H N 1.289 120.370 119.070 0.019 0.000 2.550 427 H HA 0.312 4.868 4.556 -0.000 0.000 0.304 427 H C 0.610 175.950 175.328 0.020 0.000 1.086 427 H CA -0.217 55.842 56.048 0.019 0.000 1.089 427 H CB 0.104 29.877 29.762 0.018 0.000 1.528 427 H HN 0.300 nan 8.280 nan 0.000 0.539 428 S N 1.270 117.014 115.700 0.074 0.000 2.549 428 S HA 0.208 4.678 4.470 -0.000 0.000 0.286 428 S C 0.270 174.907 174.600 0.063 0.000 1.314 428 S CA -0.251 57.988 58.200 0.064 0.000 1.062 428 S CB -0.005 63.218 63.200 0.039 0.000 0.865 428 S HN 0.294 nan 8.310 nan 0.000 0.498 429 I N 3.387 123.993 120.570 0.060 0.000 2.533 429 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 429 I C 0.098 176.242 176.117 0.044 0.000 1.056 429 I CA -0.670 60.661 61.300 0.051 0.000 1.057 429 I CB 2.123 40.154 38.000 0.052 0.000 1.240 429 I HN 0.564 nan 8.210 nan 0.000 0.423 430 S N 3.890 119.613 115.700 0.038 0.000 2.525 430 S HA 0.242 4.712 4.470 -0.000 0.000 0.285 430 S C -0.193 174.428 174.600 0.035 0.000 1.283 430 S CA 0.437 58.659 58.200 0.036 0.000 1.072 430 S CB 0.205 63.424 63.200 0.031 0.000 0.867 430 S HN 0.770 nan 8.310 nan 0.000 0.492 431 T N 3.165 117.742 114.554 0.038 0.000 2.696 431 T HA 0.417 4.767 4.350 -0.000 0.000 0.291 431 T C -0.387 174.335 174.700 0.037 0.000 1.095 431 T CA -0.140 61.982 62.100 0.036 0.000 1.026 431 T CB 0.826 69.717 68.868 0.038 0.000 1.390 431 T HN 0.903 nan 8.240 nan 0.000 0.513 432 N N 0.661 119.383 118.700 0.037 0.000 2.727 432 N HA -0.222 4.518 4.740 -0.000 0.000 0.251 432 N C 0.295 175.825 175.510 0.034 0.000 1.040 432 N CA 0.797 53.870 53.050 0.039 0.000 0.712 432 N CB -1.183 37.333 38.487 0.049 0.000 0.912 432 N HN 1.568 nan 8.380 nan 0.000 0.545 433 A N -0.549 122.287 122.820 0.027 0.000 2.822 433 A HA 0.007 4.327 4.320 -0.000 0.000 0.287 433 A C 1.341 178.941 177.584 0.026 0.000 1.479 433 A CA 2.070 54.121 52.037 0.023 0.000 0.779 433 A CB -2.286 16.725 19.000 0.019 0.000 1.022 433 A HN 2.274 nan 8.150 nan 0.000 0.532 434 A N -2.403 120.434 122.820 0.029 0.000 3.396 434 A HA -0.367 3.953 4.320 -0.000 0.000 0.267 434 A C 1.410 179.016 177.584 0.036 0.000 1.139 434 A CA 2.045 54.100 52.037 0.030 0.000 1.115 434 A CB -2.554 16.462 19.000 0.025 0.000 1.133 434 A HN 2.229 nan 8.150 nan 0.000 0.920 435 N N 0.038 118.762 118.700 0.040 0.000 2.142 435 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 435 N C 0.985 176.528 175.510 0.055 0.000 1.023 435 N CA 1.921 55.000 53.050 0.048 0.000 0.852 435 N CB -0.174 38.347 38.487 0.056 0.000 0.998 435 N HN 0.758 nan 8.380 nan 0.000 0.424 436 Q N 0.533 120.365 119.800 0.054 0.000 3.091 436 Q HA 0.066 4.406 4.340 -0.000 0.000 0.301 436 Q C -0.453 175.579 176.000 0.055 0.000 1.337 436 Q CA -0.278 55.563 55.803 0.062 0.000 1.083 436 Q CB 0.545 29.315 28.738 0.053 0.000 1.477 436 Q HN 0.514 nan 8.270 nan 0.000 0.537 437 D N -0.435 119.995 120.400 0.050 0.000 2.348 437 D HA -0.077 4.563 4.640 -0.000 0.000 0.216 437 D C 0.670 176.995 176.300 0.042 0.000 0.970 437 D CA 0.402 54.427 54.000 0.041 0.000 0.889 437 D CB 0.070 40.891 40.800 0.034 0.000 0.912 437 D HN 0.212 nan 8.370 nan 0.000 0.524 438 V N -1.882 118.063 119.914 0.050 0.000 2.760 438 V HA 0.756 4.876 4.120 -0.000 0.000 0.309 438 V C -0.492 175.641 176.094 0.064 0.000 1.077 438 V CA -1.233 61.096 62.300 0.049 0.000 0.910 438 V CB 1.970 33.817 31.823 0.040 0.000 1.008 438 V HN 0.101 nan 8.190 nan 0.000 0.424 439 V N 1.035 120.985 119.914 0.061 0.000 2.925 439 V HA 0.751 4.871 4.120 -0.000 0.000 0.311 439 V C 1.082 177.214 176.094 0.064 0.000 1.104 439 V CA 0.287 62.630 62.300 0.072 0.000 0.954 439 V CB 1.385 33.247 31.823 0.065 0.000 1.022 439 V HN 1.357 nan 8.190 nan 0.000 0.427 440 S N 3.237 118.980 115.700 0.071 0.000 2.414 440 S HA 0.034 4.504 4.470 -0.000 0.000 0.227 440 S C 1.212 175.846 174.600 0.056 0.000 1.022 440 S CA 1.270 59.505 58.200 0.058 0.000 0.958 440 S CB -0.895 62.344 63.200 0.065 0.000 0.797 440 S HN 1.424 nan 8.310 nan 0.000 0.493 441 L N 0.172 121.432 121.223 0.060 0.000 4.232 441 L HA -0.206 4.134 4.340 -0.000 0.000 0.415 441 L C 1.545 178.449 176.870 0.056 0.000 1.168 441 L CA 0.044 54.920 54.840 0.060 0.000 0.966 441 L CB -2.325 39.778 42.059 0.074 0.000 2.052 441 L HN 0.536 nan 8.230 nan 0.000 0.887 442 G N -0.251 108.581 108.800 0.052 0.000 2.450 442 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 442 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 442 G C 1.284 176.211 174.900 0.045 0.000 1.130 442 G CA 1.442 46.570 45.100 0.047 0.000 0.760 442 G HN 0.483 nan 8.290 nan 0.000 0.557 443 T N 1.273 115.852 114.554 0.042 0.000 2.777 443 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 443 T C 2.379 177.102 174.700 0.039 0.000 1.040 443 T CA 0.927 63.048 62.100 0.036 0.000 1.141 443 T CB -0.119 68.766 68.868 0.028 0.000 0.868 443 T HN 0.284 nan 8.240 nan 0.000 0.444 444 I N 1.666 122.261 120.570 0.042 0.000 2.226 444 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 444 I C 3.029 179.176 176.117 0.051 0.000 1.100 444 I CA 1.021 62.346 61.300 0.043 0.000 1.374 444 I CB -0.565 37.463 38.000 0.046 0.000 1.057 444 I HN 0.210 nan 8.210 nan 0.000 0.413 445 A N 0.939 123.793 122.820 0.057 0.000 1.883 445 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 445 A C 2.559 180.181 177.584 0.064 0.000 1.186 445 A CA 2.082 54.156 52.037 0.063 0.000 0.624 445 A CB -0.910 18.127 19.000 0.062 0.000 0.822 445 A HN 0.433 nan 8.150 nan 0.000 0.444 446 A N -0.445 122.414 122.820 0.064 0.000 1.902 446 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 446 A C 2.249 179.871 177.584 0.064 0.000 1.181 446 A CA 1.527 53.608 52.037 0.073 0.000 0.623 446 A CB -0.443 18.599 19.000 0.070 0.000 0.818 446 A HN 0.556 nan 8.150 nan 0.000 0.443 447 R N -0.529 120.002 120.500 0.053 0.000 2.075 447 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 447 R C 1.999 178.327 176.300 0.048 0.000 1.126 447 R CA 1.376 57.504 56.100 0.047 0.000 0.963 447 R CB -0.469 29.852 30.300 0.036 0.000 0.858 447 R HN 0.503 nan 8.270 nan 0.000 0.435 448 L N -0.254 120.997 121.223 0.048 0.000 2.141 448 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 448 L C 2.745 179.644 176.870 0.049 0.000 1.094 448 L CA 0.699 55.566 54.840 0.045 0.000 0.763 448 L CB -0.502 41.585 42.059 0.047 0.000 0.908 448 L HN 0.375 nan 8.230 nan 0.000 0.437 449 C N 0.337 119.669 119.300 0.053 0.000 2.440 449 C HA -0.147 4.313 4.460 -0.000 0.000 0.278 449 C C 3.099 178.128 174.990 0.063 0.000 1.295 449 C CA 0.832 59.881 59.018 0.052 0.000 1.738 449 C CB -0.537 27.234 27.740 0.051 0.000 1.987 449 C HN 0.494 nan 8.230 nan 0.000 0.492 450 R N 1.317 121.857 120.500 0.067 0.000 2.073 450 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 450 R C 2.107 178.454 176.300 0.078 0.000 1.134 450 R CA 2.008 58.154 56.100 0.077 0.000 0.952 450 R CB -0.857 29.486 30.300 0.072 0.000 0.850 450 R HN 0.521 nan 8.270 nan 0.000 0.433 451 E N 0.792 121.030 120.200 0.064 0.000 2.085 451 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 451 E C 1.855 178.499 176.600 0.072 0.000 0.994 451 E CA 1.429 57.865 56.400 0.060 0.000 0.801 451 E CB -0.130 29.598 29.700 0.046 0.000 0.743 451 E HN 0.433 nan 8.360 nan 0.000 0.453 452 K N 0.223 120.666 120.400 0.072 0.000 2.148 452 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 452 K C 2.287 178.977 176.600 0.150 0.000 1.050 452 K CA 0.710 57.045 56.287 0.081 0.000 0.942 452 K CB -0.085 32.441 32.500 0.043 0.000 0.724 452 K HN 0.103 nan 8.250 nan 0.000 0.446 453 I N 1.358 122.028 120.570 0.166 0.000 2.315 453 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 453 I C 1.489 177.724 176.117 0.196 0.000 1.117 453 I CA 1.109 62.560 61.300 0.252 0.000 1.404 453 I CB -0.206 37.908 38.000 0.190 0.000 1.071 453 I HN 0.130 nan 8.210 nan 0.000 0.419 454 D N 0.596 121.071 120.400 0.126 0.000 2.144 454 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 454 D C 2.325 178.678 176.300 0.088 0.000 0.978 454 D CA 0.868 54.919 54.000 0.084 0.000 0.833 454 D CB -0.161 40.678 40.800 0.065 0.000 0.961 454 D HN 0.184 nan 8.370 nan 0.000 0.470 455 R N -0.169 120.400 120.500 0.116 0.000 2.090 455 R HA -0.093 4.246 4.340 -0.000 0.000 0.228 455 R C 2.119 178.529 176.300 0.183 0.000 1.110 455 R CA 0.382 56.550 56.100 0.113 0.000 0.973 455 R CB -0.956 29.401 30.300 0.095 0.000 0.869 455 R HN 0.333 nan 8.270 nan 0.000 0.440 456 W N 2.053 123.354 121.300 0.002 0.000 2.358 456 W HA -0.085 4.575 4.660 -0.000 0.000 0.303 456 W C 2.104 178.615 176.519 -0.013 0.000 1.208 456 W CA 1.381 58.727 57.345 0.002 0.000 1.274 456 W CB -0.653 28.815 29.460 0.014 0.000 1.138 456 W HN 0.131 nan 8.180 nan 0.000 0.515 457 A N 0.238 123.061 122.820 0.005 0.000 1.940 457 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 457 A C 1.870 179.373 177.584 -0.135 0.000 1.176 457 A CA 2.062 53.990 52.037 -0.181 0.000 0.631 457 A CB -0.805 18.114 19.000 -0.134 0.000 0.814 457 A HN 0.471 nan 8.150 nan 0.000 0.446 458 E N -0.438 119.739 120.200 -0.038 0.000 2.106 458 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 458 E C 1.837 178.425 176.600 -0.019 0.000 0.984 458 E CA 1.100 57.480 56.400 -0.034 0.000 0.806 458 E CB -0.233 29.470 29.700 0.004 0.000 0.750 458 E HN 0.713 nan 8.360 nan 0.000 0.458 459 I N 0.790 121.385 120.570 0.042 0.000 2.252 459 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 459 I C 2.193 178.328 176.117 0.030 0.000 1.102 459 I CA 0.896 62.239 61.300 0.070 0.000 1.385 459 I CB -0.138 37.958 38.000 0.160 0.000 1.064 459 I HN 0.107 nan 8.210 nan 0.000 0.414 460 L N 0.512 121.725 121.223 -0.015 0.000 2.083 460 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 460 L C 2.838 179.610 176.870 -0.163 0.000 1.083 460 L CA 1.218 56.006 54.840 -0.087 0.000 0.752 460 L CB -0.666 41.252 42.059 -0.235 0.000 0.899 460 L HN 0.237 nan 8.230 nan 0.000 0.433 461 A N 0.298 122.989 122.820 -0.215 0.000 1.902 461 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 461 A C 2.210 179.681 177.584 -0.190 0.000 1.181 461 A CA 1.448 53.324 52.037 -0.269 0.000 0.623 461 A CB -0.601 18.244 19.000 -0.258 0.000 0.818 461 A HN 0.345 nan 8.150 nan 0.000 0.443 462 I N -0.840 119.666 120.570 -0.106 0.000 2.226 462 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 462 I C 2.425 178.482 176.117 -0.100 0.000 1.100 462 I CA 1.180 62.444 61.300 -0.060 0.000 1.374 462 I CB -0.272 37.727 38.000 -0.001 0.000 1.057 462 I HN 0.395 nan 8.210 nan 0.000 0.413 463 L N 1.275 122.454 121.223 -0.073 0.000 2.046 463 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 463 L C 2.547 179.366 176.870 -0.085 0.000 1.077 463 L CA 2.147 56.948 54.840 -0.064 0.000 0.747 463 L CB -0.865 41.197 42.059 0.004 0.000 0.896 463 L HN 0.187 nan 8.230 nan 0.000 0.432 464 A N -0.467 122.303 122.820 -0.083 0.000 1.877 464 A HA -0.175 4.144 4.320 -0.000 0.000 0.216 464 A C 2.271 179.796 177.584 -0.099 0.000 1.186 464 A CA 2.036 54.039 52.037 -0.056 0.000 0.620 464 A CB -0.927 18.003 19.000 -0.117 0.000 0.822 464 A HN 0.510 nan 8.150 nan 0.000 0.443 465 L N -0.930 120.196 121.223 -0.160 0.000 2.083 465 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 465 L C 2.726 179.421 176.870 -0.292 0.000 1.083 465 L CA 1.171 55.938 54.840 -0.123 0.000 0.752 465 L CB -0.709 41.342 42.059 -0.013 0.000 0.899 465 L HN 0.494 nan 8.230 nan 0.000 0.433 466 C N -0.195 118.792 119.300 -0.523 0.000 2.432 466 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 466 C C 2.747 177.535 174.990 -0.336 0.000 1.249 466 C CA 0.480 59.039 59.018 -0.766 0.000 1.725 466 C CB -0.712 26.696 27.740 -0.554 0.000 2.028 466 C HN 0.430 nan 8.230 nan 0.000 0.477 467 L N 0.858 121.980 121.223 -0.168 0.000 2.141 467 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 467 L C 2.834 179.692 176.870 -0.020 0.000 1.094 467 L CA 1.381 56.185 54.840 -0.061 0.000 0.763 467 L CB -0.660 41.398 42.059 -0.003 0.000 0.908 467 L HN 0.345 nan 8.230 nan 0.000 0.437 468 A N -0.263 122.551 122.820 -0.009 0.000 1.877 468 A HA -0.293 4.026 4.320 -0.000 0.000 0.216 468 A C 2.215 179.827 177.584 0.047 0.000 1.186 468 A CA 1.954 54.016 52.037 0.042 0.000 0.620 468 A CB -0.523 18.520 19.000 0.072 0.000 0.822 468 A HN 0.416 nan 8.150 nan 0.000 0.443 469 Q N -0.359 119.467 119.800 0.042 0.000 2.079 469 Q HA -0.017 4.323 4.340 -0.000 0.000 0.200 469 Q C 2.060 178.087 176.000 0.045 0.000 0.974 469 Q CA 2.056 57.915 55.803 0.093 0.000 0.840 469 Q CB -0.496 28.373 28.738 0.218 0.000 0.898 469 Q HN 0.553 nan 8.270 nan 0.000 0.430 470 A N 0.411 123.227 122.820 -0.007 0.000 1.902 470 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 470 A C 2.304 179.893 177.584 0.008 0.000 1.181 470 A CA 1.798 53.830 52.037 -0.007 0.000 0.623 470 A CB -1.222 17.759 19.000 -0.031 0.000 0.818 470 A HN 0.551 nan 8.150 nan 0.000 0.443 471 A N -0.054 122.776 122.820 0.016 0.000 1.902 471 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 471 A C 1.910 179.510 177.584 0.026 0.000 1.181 471 A CA 1.680 53.731 52.037 0.024 0.000 0.623 471 A CB -0.555 18.465 19.000 0.033 0.000 0.818 471 A HN 0.649 nan 8.150 nan 0.000 0.443 472 E N -0.286 119.933 120.200 0.032 0.000 2.150 472 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 472 E C 1.895 178.508 176.600 0.023 0.000 0.985 472 E CA 0.905 57.324 56.400 0.032 0.000 0.814 472 E CB -0.243 29.483 29.700 0.044 0.000 0.752 472 E HN 0.617 nan 8.360 nan 0.000 0.466 473 L N 0.349 121.584 121.223 0.019 0.000 2.109 473 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 473 L C 2.617 179.488 176.870 0.002 0.000 1.086 473 L CA 0.831 55.675 54.840 0.006 0.000 0.760 473 L CB -0.103 41.955 42.059 -0.001 0.000 0.910 473 L HN 0.006 nan 8.230 nan 0.000 0.437 474 R N -0.300 120.203 120.500 0.005 0.000 2.080 474 R HA -0.037 4.303 4.340 -0.000 0.000 0.222 474 R C 1.793 178.097 176.300 0.007 0.000 1.107 474 R CA 1.597 57.700 56.100 0.004 0.000 0.980 474 R CB -0.402 29.901 30.300 0.005 0.000 0.879 474 R HN 0.336 nan 8.270 nan 0.000 0.439 475 C N 0.183 119.490 119.300 0.012 0.000 3.038 475 C HA 0.660 5.120 4.460 -0.000 0.000 0.279 475 C C 0.646 175.645 174.990 0.015 0.000 1.276 475 C CA -0.290 58.736 59.018 0.014 0.000 1.697 475 C CB -0.767 26.983 27.740 0.017 0.000 2.032 475 C HN 0.740 nan 8.230 nan 0.000 0.636 476 G N 1.650 110.459 108.800 0.014 0.000 2.746 476 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.685 476 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.685 476 G C 0.701 175.613 174.900 0.020 0.000 1.350 476 G CA 0.057 45.166 45.100 0.015 0.000 0.837 476 G HN 0.738 nan 8.290 nan 0.000 0.564 477 S N -0.744 114.968 115.700 0.021 0.000 2.419 477 S HA 0.050 4.519 4.470 -0.000 0.000 0.233 477 S C 2.407 177.022 174.600 0.024 0.000 1.016 477 S CA 1.927 60.142 58.200 0.025 0.000 0.974 477 S CB -0.230 62.983 63.200 0.023 0.000 0.786 477 S HN 2.179 nan 8.310 nan 0.000 0.492 478 G N 0.919 109.731 108.800 0.020 0.000 2.848 478 G HA2 0.334 4.294 3.960 -0.000 0.000 0.208 478 G HA3 0.334 4.294 3.960 -0.000 0.000 0.208 478 G C 0.543 175.456 174.900 0.021 0.000 1.152 478 G CA -0.053 45.059 45.100 0.019 0.000 0.789 478 G HN 0.609 nan 8.290 nan 0.000 0.531 479 L N 0.791 122.027 121.223 0.022 0.000 3.660 479 L HA -0.163 4.177 4.340 -0.000 0.000 0.440 479 L C 0.121 177.003 176.870 0.021 0.000 1.262 479 L CA 0.151 55.005 54.840 0.024 0.000 0.837 479 L CB -1.735 40.341 42.059 0.028 0.000 1.689 479 L HN 0.362 nan 8.230 nan 0.000 0.890 480 D N 1.146 121.557 120.400 0.018 0.000 2.450 480 D HA 0.231 4.871 4.640 -0.000 0.000 0.247 480 D C 1.362 177.672 176.300 0.016 0.000 1.162 480 D CA 1.512 55.521 54.000 0.016 0.000 0.879 480 D CB 1.034 41.842 40.800 0.013 0.000 1.163 480 D HN 0.538 nan 8.370 nan 0.000 0.472 481 G N 2.681 111.491 108.800 0.016 0.000 2.199 481 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 481 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 481 G C 0.454 175.366 174.900 0.021 0.000 0.982 481 G CA 0.269 45.379 45.100 0.017 0.000 0.632 481 G HN 0.586 nan 8.290 nan 0.000 0.529 482 V N 2.504 122.432 119.914 0.023 0.000 2.686 482 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 482 V C 1.480 177.590 176.094 0.026 0.000 1.055 482 V CA 0.134 62.451 62.300 0.027 0.000 1.050 482 V CB 1.403 33.244 31.823 0.029 0.000 0.984 482 V HN 1.077 nan 8.190 nan 0.000 0.482 483 S N 4.973 120.691 115.700 0.030 0.000 2.569 483 S HA 0.116 4.586 4.470 -0.000 0.000 0.274 483 S C -1.687 172.926 174.600 0.021 0.000 1.353 483 S CA -0.579 57.637 58.200 0.027 0.000 1.023 483 S CB 0.488 63.709 63.200 0.035 0.000 0.876 483 S HN 0.584 nan 8.310 nan 0.000 0.540 484 P HA -0.050 nan 4.420 nan 0.000 0.216 484 P C 1.580 178.885 177.300 0.008 0.000 1.150 484 P CA 1.921 65.028 63.100 0.012 0.000 0.837 484 P CB -0.219 31.486 31.700 0.008 0.000 0.786 485 A N -0.334 122.488 122.820 0.004 0.000 1.898 485 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 485 A C 2.470 180.052 177.584 -0.004 0.000 1.181 485 A CA 1.947 53.978 52.037 -0.009 0.000 0.620 485 A CB -1.824 17.165 19.000 -0.019 0.000 0.819 485 A HN 0.268 nan 8.150 nan 0.000 0.442 486 G N -0.262 108.546 108.800 0.013 0.000 2.418 486 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 486 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 486 G C 1.678 176.597 174.900 0.031 0.000 1.158 486 G CA 1.076 46.192 45.100 0.026 0.000 0.771 486 G HN 0.555 nan 8.290 nan 0.000 0.545 487 K N 0.222 120.639 120.400 0.028 0.000 2.032 487 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 487 K C 2.456 179.076 176.600 0.033 0.000 1.048 487 K CA 1.419 57.724 56.287 0.030 0.000 0.927 487 K CB -0.161 32.353 32.500 0.024 0.000 0.712 487 K HN 0.245 nan 8.250 nan 0.000 0.441 488 K N 1.351 121.765 120.400 0.024 0.000 2.063 488 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 488 K C 2.182 178.806 176.600 0.039 0.000 1.048 488 K CA 1.101 57.403 56.287 0.024 0.000 0.928 488 K CB -0.138 32.367 32.500 0.008 0.000 0.713 488 K HN 0.102 nan 8.250 nan 0.000 0.442 489 L N 0.622 121.865 121.223 0.034 0.000 2.017 489 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 489 L C 2.055 178.995 176.870 0.116 0.000 1.073 489 L CA 1.218 56.097 54.840 0.066 0.000 0.745 489 L CB -0.157 41.923 42.059 0.035 0.000 0.894 489 L HN 0.033 nan 8.230 nan 0.000 0.432 490 V N -0.099 119.870 119.914 0.092 0.000 2.358 490 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 490 V C 2.464 178.613 176.094 0.092 0.000 1.047 490 V CA 1.987 64.345 62.300 0.096 0.000 1.035 490 V CB -0.663 31.204 31.823 0.073 0.000 0.658 490 V HN 0.558 nan 8.190 nan 0.000 0.452 491 Q N 0.097 119.940 119.800 0.072 0.000 2.084 491 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 491 Q C 2.444 178.484 176.000 0.068 0.000 0.978 491 Q CA 1.755 57.594 55.803 0.060 0.000 0.844 491 Q CB -0.446 28.318 28.738 0.043 0.000 0.898 491 Q HN 0.662 nan 8.270 nan 0.000 0.426 492 A N 0.988 123.857 122.820 0.082 0.000 1.902 492 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 492 A C 2.087 179.739 177.584 0.113 0.000 1.181 492 A CA 1.043 53.133 52.037 0.088 0.000 0.623 492 A CB -0.629 18.439 19.000 0.114 0.000 0.818 492 A HN 0.272 nan 8.150 nan 0.000 0.443 493 L N -1.106 120.218 121.223 0.168 0.000 2.027 493 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 493 L C 2.662 179.672 176.870 0.233 0.000 1.074 493 L CA 0.969 55.959 54.840 0.249 0.000 0.745 493 L CB -0.425 41.770 42.059 0.226 0.000 0.898 493 L HN 0.262 nan 8.230 nan 0.000 0.433 494 R N 0.347 120.935 120.500 0.146 0.000 2.293 494 R HA -0.133 4.207 4.340 -0.000 0.000 0.219 494 R C 1.845 178.166 176.300 0.035 0.000 1.091 494 R CA 0.733 56.895 56.100 0.103 0.000 1.004 494 R CB -0.380 29.967 30.300 0.079 0.000 0.865 494 R HN 0.543 nan 8.270 nan 0.000 0.469 495 E N 0.021 120.229 120.200 0.012 0.000 2.150 495 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 495 E C 1.392 177.914 176.600 -0.129 0.000 0.985 495 E CA 0.799 57.174 56.400 -0.042 0.000 0.814 495 E CB 0.269 29.948 29.700 -0.035 0.000 0.752 495 E HN 0.226 nan 8.360 nan 0.000 0.466 496 Q N -1.235 118.429 119.800 -0.227 0.000 2.280 496 Q HA 0.142 4.482 4.340 -0.000 0.000 0.244 496 Q C -0.428 175.082 176.000 -0.817 0.000 0.847 496 Q CA 0.273 55.741 55.803 -0.559 0.000 0.945 496 Q CB 0.928 29.182 28.738 -0.807 0.000 1.115 496 Q HN 0.106 nan 8.270 nan 0.000 0.513 497 F N 2.050 121.995 119.950 -0.009 0.000 2.434 497 F HA 0.431 4.958 4.527 -0.000 0.000 0.355 497 F C -2.161 173.655 175.800 0.026 0.000 1.115 497 F CA -2.633 55.373 58.000 0.010 0.000 1.010 497 F CB 1.387 40.397 39.000 0.017 0.000 1.234 497 F HN -0.200 nan 8.300 nan 0.000 0.439 498 P HA 0.183 nan 4.420 nan 0.000 0.270 498 P C -2.483 174.890 177.300 0.122 0.000 1.223 498 P CA -1.012 62.144 63.100 0.093 0.000 0.785 498 P CB 0.118 31.848 31.700 0.050 0.000 0.923 499 P HA 0.078 nan 4.420 nan 0.000 0.270 499 P C -0.657 176.693 177.300 0.085 0.000 1.223 499 P CA -0.086 63.078 63.100 0.106 0.000 0.785 499 P CB 0.276 32.022 31.700 0.078 0.000 0.923 500 L N 2.364 123.642 121.223 0.092 0.000 2.358 500 L HA 0.144 4.483 4.340 -0.000 0.000 0.274 500 L C 1.007 177.887 176.870 0.016 0.000 1.136 500 L CA 0.580 55.422 54.840 0.003 0.000 0.970 500 L CB -0.761 41.216 42.059 -0.137 0.000 1.314 500 L HN 0.324 nan 8.230 nan 0.000 0.427 501 E N 0.868 121.079 120.200 0.018 0.000 2.216 501 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 501 E C 0.270 176.883 176.600 0.021 0.000 0.988 501 E CA 0.567 56.981 56.400 0.023 0.000 0.834 501 E CB 0.347 30.060 29.700 0.022 0.000 0.772 501 E HN 0.575 nan 8.360 nan 0.000 0.479 502 T N 0.117 114.672 114.554 0.002 0.000 2.889 502 T HA 0.111 4.461 4.350 -0.000 0.000 0.315 502 T C -1.795 172.884 174.700 -0.036 0.000 1.291 502 T CA -1.003 61.096 62.100 -0.000 0.000 1.028 502 T CB 1.373 70.243 68.868 0.002 0.000 1.235 502 T HN -0.221 nan 8.240 nan 0.000 0.491 503 D N 2.725 123.100 120.400 -0.041 0.000 2.525 503 D HA 0.340 4.980 4.640 -0.000 0.000 0.235 503 D C 0.603 176.862 176.300 -0.069 0.000 1.137 503 D CA 0.656 54.610 54.000 -0.077 0.000 0.868 503 D CB 0.376 41.137 40.800 -0.064 0.000 1.180 503 D HN 0.688 nan 8.370 nan 0.000 0.465 504 R N 0.320 120.766 120.500 -0.090 0.000 2.716 504 R HA 0.612 4.952 4.340 -0.000 0.000 0.271 504 R C -3.148 173.114 176.300 -0.064 0.000 1.028 504 R CA -1.643 54.420 56.100 -0.062 0.000 0.883 504 R CB 0.221 30.494 30.300 -0.045 0.000 1.250 504 R HN 0.008 nan 8.270 nan 0.000 0.465 505 P HA 0.150 nan 4.420 nan 0.000 0.267 505 P C -0.338 176.951 177.300 -0.018 0.000 1.205 505 P CA -0.276 62.807 63.100 -0.028 0.000 0.765 505 P CB 0.598 32.290 31.700 -0.014 0.000 0.828 506 L N 1.564 122.777 121.223 -0.016 0.000 2.731 506 L HA 0.185 4.525 4.340 -0.000 0.000 0.240 506 L C 2.281 179.165 176.870 0.022 0.000 1.120 506 L CA 0.366 55.210 54.840 0.007 0.000 0.913 506 L CB -0.254 41.805 42.059 0.001 0.000 1.213 506 L HN 0.535 nan 8.230 nan 0.000 0.515 507 G N 0.151 108.960 108.800 0.014 0.000 2.529 507 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 507 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 507 G C 1.391 176.305 174.900 0.024 0.000 1.177 507 G CA 0.791 45.900 45.100 0.015 0.000 0.773 507 G HN 0.353 nan 8.290 nan 0.000 0.573 508 Q N -0.150 119.670 119.800 0.033 0.000 2.124 508 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 508 Q C 2.578 178.628 176.000 0.084 0.000 0.977 508 Q CA 1.398 57.229 55.803 0.048 0.000 0.850 508 Q CB -0.097 28.667 28.738 0.043 0.000 0.901 508 Q HN 0.635 nan 8.270 nan 0.000 0.429 509 E N 0.375 120.642 120.200 0.112 0.000 2.072 509 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 509 E C 1.950 178.561 176.600 0.017 0.000 0.985 509 E CA 0.805 57.327 56.400 0.204 0.000 0.801 509 E CB -0.033 29.812 29.700 0.242 0.000 0.750 509 E HN 0.349 nan 8.360 nan 0.000 0.452 510 I N 1.152 121.706 120.570 -0.027 0.000 2.179 510 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 510 I C 2.542 178.622 176.117 -0.061 0.000 1.088 510 I CA 1.053 62.305 61.300 -0.080 0.000 1.357 510 I CB -0.313 37.668 38.000 -0.032 0.000 1.051 510 I HN 0.095 nan 8.210 nan 0.000 0.409 511 A N 0.654 123.468 122.820 -0.009 0.000 1.898 511 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 511 A C 2.542 180.138 177.584 0.019 0.000 1.181 511 A CA 1.756 53.795 52.037 0.003 0.000 0.620 511 A CB -0.800 18.211 19.000 0.018 0.000 0.819 511 A HN 0.430 nan 8.150 nan 0.000 0.442 512 A N -0.570 122.290 122.820 0.066 0.000 1.902 512 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 512 A C 2.126 179.791 177.584 0.135 0.000 1.181 512 A CA 1.762 53.875 52.037 0.128 0.000 0.623 512 A CB -0.596 18.541 19.000 0.228 0.000 0.818 512 A HN 0.620 nan 8.150 nan 0.000 0.443 513 L N -0.275 120.970 121.223 0.036 0.000 2.056 513 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 513 L C 2.700 179.487 176.870 -0.138 0.000 1.078 513 L CA 2.017 56.788 54.840 -0.115 0.000 0.749 513 L CB -0.957 40.779 42.059 -0.537 0.000 0.901 513 L HN 0.355 nan 8.230 nan 0.000 0.433 514 A N -1.435 121.299 122.820 -0.143 0.000 1.892 514 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 514 A C 2.283 179.804 177.584 -0.105 0.000 1.188 514 A CA 2.552 54.498 52.037 -0.152 0.000 0.631 514 A CB -1.320 17.624 19.000 -0.094 0.000 0.822 514 A HN 0.506 nan 8.150 nan 0.000 0.447 515 T N -1.499 113.038 114.554 -0.029 0.000 2.759 515 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 515 T C 1.855 176.559 174.700 0.007 0.000 1.042 515 T CA 1.967 64.070 62.100 0.005 0.000 1.140 515 T CB -0.404 68.487 68.868 0.040 0.000 0.864 515 T HN 0.814 nan 8.240 nan 0.000 0.455 516 H N 1.053 120.081 119.070 -0.071 0.000 2.357 516 H HA 0.112 4.668 4.556 -0.000 0.000 0.301 516 H C 2.003 177.251 175.328 -0.134 0.000 1.082 516 H CA 1.196 57.205 56.048 -0.065 0.000 1.342 516 H CB -0.487 29.261 29.762 -0.024 0.000 1.389 516 H HN 0.251 nan 8.280 nan 0.000 0.511 517 L N -0.062 120.948 121.223 -0.356 0.000 2.079 517 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 517 L C 2.320 179.016 176.870 -0.290 0.000 1.081 517 L CA 1.016 55.506 54.840 -0.583 0.000 0.752 517 L CB -0.507 41.040 42.059 -0.853 0.000 0.896 517 L HN 0.327 nan 8.230 nan 0.000 0.433 518 L N -0.752 120.352 121.223 -0.199 0.000 2.275 518 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 518 L C 2.225 179.074 176.870 -0.035 0.000 1.119 518 L CA 1.040 55.837 54.840 -0.071 0.000 0.790 518 L CB -0.231 41.818 42.059 -0.017 0.000 0.919 518 L HN 0.381 nan 8.230 nan 0.000 0.443 519 Q N -1.427 118.258 119.800 -0.191 0.000 2.316 519 Q HA 0.187 4.526 4.340 -0.000 0.000 0.235 519 Q C -0.104 175.484 176.000 -0.685 0.000 0.863 519 Q CA 0.088 55.749 55.803 -0.237 0.000 0.939 519 Q CB 0.984 29.684 28.738 -0.063 0.000 1.108 519 Q HN 0.454 nan 8.270 nan 0.000 0.522 520 Q N -0.168 119.172 119.800 -0.765 0.000 2.379 520 Q HA 0.466 4.806 4.340 -0.000 0.000 0.278 520 Q C -1.272 174.605 176.000 -0.206 0.000 1.068 520 Q CA -0.444 54.986 55.803 -0.620 0.000 0.816 520 Q CB 2.624 31.138 28.738 -0.374 0.000 1.387 520 Q HN -0.079 nan 8.270 nan 0.000 0.413 521 S N 2.158 117.816 115.700 -0.070 0.000 2.654 521 S HA 0.549 5.019 4.470 -0.000 0.000 0.283 521 S C -2.378 172.055 174.600 -0.279 0.000 1.180 521 S CA -1.157 56.976 58.200 -0.113 0.000 1.021 521 S CB 0.845 64.020 63.200 -0.041 0.000 1.018 521 S HN 0.421 nan 8.310 nan 0.000 0.532 522 P HA 0.268 nan 4.420 nan 0.000 0.277 522 P C -0.676 176.442 177.300 -0.305 0.000 1.354 522 P CA -0.163 62.582 63.100 -0.593 0.000 0.891 522 P CB 0.163 31.187 31.700 -1.126 0.000 1.058 523 V N 0.000 119.828 119.914 -0.143 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.246 62.300 -0.090 0.000 1.235 523 V CB 0.000 31.785 31.823 -0.063 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556