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 2o7b_1_D DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.019 0.000 0.838 8 K CB 0.000 32.515 32.500 0.025 0.000 1.064 9 P HA 0.193 nan 4.420 nan 0.000 0.269 9 P C -1.327 175.982 177.300 0.015 0.000 1.211 9 P CA -0.235 62.876 63.100 0.019 0.000 0.781 9 P CB 0.438 32.152 31.700 0.023 0.000 0.877 10 A N 1.441 124.268 122.820 0.012 0.000 2.374 10 A HA 0.520 4.834 4.320 -0.011 0.000 0.305 10 A C -0.955 176.633 177.584 0.006 0.000 1.053 10 A CA -0.590 51.452 52.037 0.007 0.000 0.726 10 A CB 1.206 20.210 19.000 0.006 0.000 1.229 10 A HN 0.320 nan 8.150 nan 0.000 0.431 11 V N 2.668 122.582 119.914 0.001 0.000 2.364 11 V HA 0.256 4.370 4.120 -0.011 0.000 0.272 11 V C 0.385 176.476 176.094 -0.004 0.000 1.036 11 V CA -0.273 62.026 62.300 -0.001 0.000 0.880 11 V CB 1.099 32.917 31.823 -0.008 0.000 0.991 11 V HN 0.949 nan 8.190 nan 0.000 0.460 12 E N 4.561 124.761 120.200 0.000 0.000 2.130 12 E HA 0.347 4.691 4.350 -0.011 0.000 0.284 12 E C -0.892 175.707 176.600 -0.001 0.000 1.018 12 E CA -0.770 55.630 56.400 -0.000 0.000 0.817 12 E CB 1.211 30.913 29.700 0.004 0.000 1.078 12 E HN 0.558 nan 8.360 nan 0.000 0.396 13 L N 5.377 126.596 121.223 -0.007 0.000 2.265 13 L HA 0.277 4.611 4.340 -0.011 0.000 0.288 13 L C -0.189 176.680 176.870 -0.002 0.000 1.058 13 L CA 0.482 55.316 54.840 -0.010 0.000 0.809 13 L CB 1.266 43.313 42.059 -0.020 0.000 1.179 13 L HN 0.737 nan 8.230 nan 0.000 0.429 14 D N 2.724 123.128 120.400 0.007 0.000 3.061 14 D HA 0.199 4.833 4.640 -0.011 0.000 0.243 14 D C 1.305 177.615 176.300 0.016 0.000 1.572 14 D CA 0.801 54.809 54.000 0.012 0.000 1.269 14 D CB 0.698 41.510 40.800 0.019 0.000 1.023 14 D HN 0.585 nan 8.370 nan 0.000 0.280 15 R N -1.792 118.729 120.500 0.036 0.000 2.320 15 R HA 0.235 4.569 4.340 -0.011 0.000 0.193 15 R C 0.140 176.487 176.300 0.078 0.000 0.885 15 R CA -0.181 55.947 56.100 0.047 0.000 1.085 15 R CB 0.677 31.008 30.300 0.051 0.000 1.253 15 R HN 0.198 nan 8.270 nan 0.000 0.636 16 H N 0.306 119.369 119.070 -0.011 0.000 2.538 16 H HA 0.566 5.114 4.556 -0.012 0.000 0.353 16 H C -1.469 173.852 175.328 -0.010 0.000 1.109 16 H CA -0.729 55.312 56.048 -0.012 0.000 1.192 16 H CB 1.533 31.288 29.762 -0.011 0.000 1.555 16 H HN 0.001 nan 8.280 nan 0.000 0.518 17 I N 4.325 124.560 120.570 -0.558 0.000 2.582 17 I HA 0.268 4.431 4.170 -0.011 0.000 0.292 17 I C -1.170 174.680 176.117 -0.445 0.000 1.066 17 I CA -0.849 60.257 61.300 -0.322 0.000 1.053 17 I CB 1.466 39.357 38.000 -0.182 0.000 1.241 17 I HN 0.838 nan 8.210 nan 0.000 0.421 18 D N 5.994 126.297 120.400 -0.162 0.000 2.388 18 D HA 0.225 4.859 4.640 -0.011 0.000 0.254 18 D C 0.982 177.259 176.300 -0.039 0.000 1.111 18 D CA -0.582 53.381 54.000 -0.062 0.000 0.993 18 D CB 1.003 41.842 40.800 0.064 0.000 1.118 18 D HN 0.500 nan 8.370 nan 0.000 0.502 19 L N -0.374 120.849 121.223 0.000 0.000 2.079 19 L HA -0.148 4.186 4.340 -0.011 0.000 0.210 19 L C 1.449 178.357 176.870 0.063 0.000 1.081 19 L CA 1.381 56.238 54.840 0.028 0.000 0.752 19 L CB -0.463 41.624 42.059 0.048 0.000 0.896 19 L HN 0.448 nan 8.230 nan 0.000 0.433 20 D N -0.289 120.148 120.400 0.062 0.000 2.117 20 D HA -0.163 4.471 4.640 -0.011 0.000 0.198 20 D C 2.335 178.675 176.300 0.067 0.000 0.982 20 D CA 1.019 55.070 54.000 0.085 0.000 0.828 20 D CB -0.093 40.749 40.800 0.070 0.000 0.967 20 D HN 0.388 nan 8.370 nan 0.000 0.464 21 Q N 0.385 120.205 119.800 0.034 0.000 2.084 21 Q HA -0.078 4.255 4.340 -0.011 0.000 0.202 21 Q C 2.237 178.235 176.000 -0.003 0.000 0.978 21 Q CA 1.385 57.196 55.803 0.014 0.000 0.844 21 Q CB -0.120 28.616 28.738 -0.004 0.000 0.898 21 Q HN 0.203 nan 8.270 nan 0.000 0.426 22 A N 0.920 123.733 122.820 -0.011 0.000 1.883 22 A HA -0.256 4.058 4.320 -0.011 0.000 0.217 22 A C 1.968 179.532 177.584 -0.033 0.000 1.186 22 A CA 1.738 53.756 52.037 -0.031 0.000 0.624 22 A CB -0.886 18.096 19.000 -0.030 0.000 0.822 22 A HN 0.458 nan 8.150 nan 0.000 0.444 23 H N -0.074 118.943 119.070 -0.089 0.000 2.423 23 H HA 0.034 4.583 4.556 -0.012 0.000 0.297 23 H C 2.262 177.505 175.328 -0.142 0.000 1.075 23 H CA 1.441 57.397 56.048 -0.153 0.000 1.342 23 H CB -0.181 29.400 29.762 -0.300 0.000 1.395 23 H HN 0.410 nan 8.280 nan 0.000 0.530 24 A N 0.461 123.285 122.820 0.006 0.000 1.908 24 A HA -0.112 4.201 4.320 -0.011 0.000 0.218 24 A C 2.833 180.384 177.584 -0.055 0.000 1.181 24 A CA 1.690 53.730 52.037 0.006 0.000 0.627 24 A CB -0.848 18.173 19.000 0.036 0.000 0.818 24 A HN 0.290 nan 8.150 nan 0.000 0.445 25 V N -0.372 119.497 119.914 -0.075 0.000 2.323 25 V HA -0.168 3.946 4.120 -0.011 0.000 0.244 25 V C 3.058 179.058 176.094 -0.155 0.000 1.041 25 V CA 1.779 64.026 62.300 -0.087 0.000 1.025 25 V CB -1.214 30.561 31.823 -0.079 0.000 0.656 25 V HN 0.600 nan 8.190 nan 0.000 0.451 26 A N 0.784 123.470 122.820 -0.223 0.000 1.940 26 A HA -0.203 4.111 4.320 -0.011 0.000 0.219 26 A C 2.388 179.750 177.584 -0.369 0.000 1.176 26 A CA 2.264 54.110 52.037 -0.318 0.000 0.631 26 A CB -0.653 18.162 19.000 -0.309 0.000 0.814 26 A HN 0.697 nan 8.150 nan 0.000 0.446 27 S N -2.031 113.478 115.700 -0.318 0.000 2.593 27 S HA 0.373 4.836 4.470 -0.011 0.000 0.217 27 S C 1.391 176.116 174.600 0.209 0.000 0.966 27 S CA 1.030 59.189 58.200 -0.068 0.000 0.914 27 S CB -0.323 62.750 63.200 -0.212 0.000 0.776 27 S HN 1.942 nan 8.310 nan 0.000 0.523 28 G N 0.393 109.247 108.800 0.091 0.000 2.148 28 G HA2 -0.215 3.738 3.960 -0.011 0.000 0.254 28 G HA3 -0.215 3.738 3.960 -0.011 0.000 0.254 28 G C 0.833 175.803 174.900 0.115 0.000 0.981 28 G CA 0.141 45.352 45.100 0.184 0.000 0.670 28 G HN 0.968 nan 8.290 nan 0.000 0.528 29 G N -0.515 108.329 108.800 0.072 0.000 2.511 29 G HA2 0.564 4.518 3.960 -0.011 0.000 0.217 29 G HA3 0.564 4.518 3.960 -0.011 0.000 0.217 29 G C 0.663 175.590 174.900 0.045 0.000 1.133 29 G CA 1.695 46.833 45.100 0.063 0.000 0.792 29 G HN 1.806 nan 8.290 nan 0.000 0.539 30 A N -0.473 122.365 122.820 0.029 0.000 2.498 30 A HA 0.806 5.119 4.320 -0.011 0.000 0.298 30 A C -0.233 177.356 177.584 0.008 0.000 1.075 30 A CA -0.823 51.225 52.037 0.018 0.000 0.714 30 A CB 1.584 20.591 19.000 0.013 0.000 1.299 30 A HN 0.199 nan 8.150 nan 0.000 0.407 31 R N -0.092 120.413 120.500 0.008 0.000 2.546 31 R HA 0.673 5.006 4.340 -0.011 0.000 0.266 31 R C -0.769 175.526 176.300 -0.008 0.000 1.086 31 R CA -0.428 55.673 56.100 0.001 0.000 1.160 31 R CB 1.209 31.512 30.300 0.005 0.000 1.138 31 R HN 0.681 nan 8.270 nan 0.000 0.567 32 I N 0.847 121.409 120.570 -0.014 0.000 2.545 32 I HA 0.397 4.560 4.170 -0.011 0.000 0.292 32 I C -1.453 174.656 176.117 -0.014 0.000 1.040 32 I CA -0.889 60.401 61.300 -0.018 0.000 1.068 32 I CB 1.951 39.933 38.000 -0.030 0.000 1.251 32 I HN 0.286 nan 8.210 nan 0.000 0.424 33 V N 7.982 127.888 119.914 -0.012 0.000 2.789 33 V HA 0.504 4.618 4.120 -0.011 0.000 0.311 33 V C -1.382 174.706 176.094 -0.010 0.000 1.073 33 V CA -0.696 61.598 62.300 -0.010 0.000 0.921 33 V CB 2.140 33.959 31.823 -0.005 0.000 1.009 33 V HN 0.649 nan 8.190 nan 0.000 0.426 34 L N 6.462 127.679 121.223 -0.011 0.000 2.278 34 L HA 0.754 5.088 4.340 -0.011 0.000 0.287 34 L C 0.706 177.572 176.870 -0.007 0.000 1.072 34 L CA 0.590 55.424 54.840 -0.010 0.000 0.819 34 L CB 0.763 42.814 42.059 -0.013 0.000 1.176 34 L HN 0.916 nan 8.230 nan 0.000 0.435 35 A N 6.918 129.736 122.820 -0.004 0.000 2.425 35 A HA 0.368 4.681 4.320 -0.011 0.000 0.242 35 A C -1.546 176.037 177.584 -0.002 0.000 1.077 35 A CA -0.774 51.262 52.037 -0.001 0.000 0.781 35 A CB -0.348 18.653 19.000 0.003 0.000 1.020 35 A HN 0.785 nan 8.150 nan 0.000 0.494 36 P HA -0.167 nan 4.420 nan 0.000 0.216 36 P C -1.455 175.844 177.300 -0.001 0.000 1.157 36 P CA 1.937 65.036 63.100 -0.002 0.000 0.880 36 P CB -0.766 30.934 31.700 -0.001 0.000 0.791 37 P HA -0.128 nan 4.420 nan 0.000 0.218 37 P C 1.353 178.654 177.300 0.002 0.000 1.149 37 P CA 1.884 64.985 63.100 0.002 0.000 0.817 37 P CB -0.574 31.128 31.700 0.004 0.000 0.785 38 A N -0.266 122.554 122.820 0.001 0.000 1.897 38 A HA -0.156 4.158 4.320 -0.011 0.000 0.215 38 A C 2.397 179.979 177.584 -0.005 0.000 1.181 38 A CA 1.197 53.233 52.037 -0.001 0.000 0.620 38 A CB -1.063 17.936 19.000 -0.003 0.000 0.821 38 A HN -0.003 nan 8.150 nan 0.000 0.443 39 R N -0.205 120.291 120.500 -0.007 0.000 2.081 39 R HA -0.171 4.163 4.340 -0.011 0.000 0.235 39 R C 1.272 177.566 176.300 -0.010 0.000 1.131 39 R CA 1.928 58.022 56.100 -0.011 0.000 0.960 39 R CB -0.339 29.955 30.300 -0.011 0.000 0.856 39 R HN 0.458 nan 8.270 nan 0.000 0.436 40 D N 0.167 120.563 120.400 -0.007 0.000 2.144 40 D HA -0.166 4.467 4.640 -0.011 0.000 0.200 40 D C 2.001 178.299 176.300 -0.004 0.000 0.978 40 D CA 1.412 55.409 54.000 -0.006 0.000 0.833 40 D CB -0.174 40.624 40.800 -0.003 0.000 0.961 40 D HN 0.470 nan 8.370 nan 0.000 0.470 41 R N 0.342 120.841 120.500 -0.001 0.000 2.148 41 R HA 0.013 4.346 4.340 -0.011 0.000 0.223 41 R C 2.075 178.376 176.300 0.002 0.000 1.088 41 R CA 1.017 57.119 56.100 0.003 0.000 0.985 41 R CB -0.790 29.514 30.300 0.007 0.000 0.880 41 R HN 0.072 nan 8.270 nan 0.000 0.451 42 C N 0.798 120.096 119.300 -0.003 0.000 2.457 42 C HA 0.166 4.620 4.460 -0.011 0.000 0.278 42 C C 2.622 177.601 174.990 -0.020 0.000 1.309 42 C CA 0.358 59.371 59.018 -0.008 0.000 1.735 42 C CB -0.748 26.984 27.740 -0.013 0.000 1.992 42 C HN 0.526 nan 8.230 nan 0.000 0.493 43 R N 1.077 121.564 120.500 -0.021 0.000 2.096 43 R HA -0.093 4.241 4.340 -0.011 0.000 0.235 43 R C 2.357 178.642 176.300 -0.025 0.000 1.127 43 R CA 1.532 57.615 56.100 -0.028 0.000 0.968 43 R CB -0.422 29.865 30.300 -0.022 0.000 0.861 43 R HN 0.542 nan 8.270 nan 0.000 0.440 44 A N 0.202 123.013 122.820 -0.016 0.000 1.902 44 A HA -0.172 4.141 4.320 -0.011 0.000 0.217 44 A C 2.177 179.749 177.584 -0.020 0.000 1.181 44 A CA 1.794 53.824 52.037 -0.013 0.000 0.623 44 A CB -0.533 18.465 19.000 -0.002 0.000 0.818 44 A HN 0.289 nan 8.150 nan 0.000 0.443 45 S N -0.832 114.859 115.700 -0.015 0.000 2.383 45 S HA -0.189 4.275 4.470 -0.011 0.000 0.227 45 S C 2.018 176.568 174.600 -0.082 0.000 1.026 45 S CA 1.538 59.726 58.200 -0.019 0.000 0.981 45 S CB -0.327 62.888 63.200 0.024 0.000 0.818 45 S HN 0.676 nan 8.310 nan 0.000 0.472 46 E N 0.368 120.527 120.200 -0.069 0.000 2.085 46 E HA -0.147 4.196 4.350 -0.011 0.000 0.194 46 E C 2.067 178.613 176.600 -0.090 0.000 0.994 46 E CA 1.091 57.439 56.400 -0.087 0.000 0.801 46 E CB -0.352 29.303 29.700 -0.075 0.000 0.743 46 E HN 0.602 nan 8.360 nan 0.000 0.453 47 A N 1.313 124.093 122.820 -0.067 0.000 1.902 47 A HA -0.168 4.145 4.320 -0.011 0.000 0.217 47 A C 2.149 179.682 177.584 -0.084 0.000 1.181 47 A CA 1.365 53.369 52.037 -0.055 0.000 0.623 47 A CB -0.425 18.555 19.000 -0.033 0.000 0.818 47 A HN 0.182 nan 8.150 nan 0.000 0.443 48 R N -1.139 119.296 120.500 -0.109 0.000 2.096 48 R HA -0.110 4.223 4.340 -0.011 0.000 0.235 48 R C 2.095 178.230 176.300 -0.276 0.000 1.127 48 R CA 1.381 57.398 56.100 -0.139 0.000 0.968 48 R CB -0.625 29.617 30.300 -0.098 0.000 0.861 48 R HN 0.495 nan 8.270 nan 0.000 0.440 49 L N 0.670 121.640 121.223 -0.423 0.000 2.046 49 L HA -0.036 4.297 4.340 -0.011 0.000 0.208 49 L C 2.155 178.879 176.870 -0.242 0.000 1.077 49 L CA 2.130 56.640 54.840 -0.550 0.000 0.747 49 L CB -1.034 40.735 42.059 -0.483 0.000 0.896 49 L HN 0.167 nan 8.230 nan 0.000 0.432 50 G N -1.096 107.619 108.800 -0.141 0.000 2.418 50 G HA2 -0.256 3.697 3.960 -0.011 0.000 0.217 50 G HA3 -0.256 3.697 3.960 -0.011 0.000 0.217 50 G C 1.588 176.455 174.900 -0.056 0.000 1.158 50 G CA 0.850 45.910 45.100 -0.067 0.000 0.771 50 G HN 0.653 nan 8.290 nan 0.000 0.545 51 A N 0.063 122.845 122.820 -0.063 0.000 1.898 51 A HA 0.118 4.431 4.320 -0.011 0.000 0.216 51 A C 2.590 180.161 177.584 -0.020 0.000 1.181 51 A CA 1.684 53.701 52.037 -0.034 0.000 0.620 51 A CB -0.583 18.400 19.000 -0.028 0.000 0.819 51 A HN 0.245 nan 8.150 nan 0.000 0.442 52 V N 0.278 120.168 119.914 -0.040 0.000 2.343 52 V HA -0.267 3.846 4.120 -0.011 0.000 0.247 52 V C 2.394 178.504 176.094 0.027 0.000 1.051 52 V CA 2.052 64.362 62.300 0.015 0.000 1.036 52 V CB -0.612 31.228 31.823 0.028 0.000 0.654 52 V HN 0.575 nan 8.190 nan 0.000 0.451 53 I N -0.608 119.960 120.570 -0.003 0.000 2.353 53 I HA -0.183 3.981 4.170 -0.011 0.000 0.248 53 I C 2.695 178.817 176.117 0.007 0.000 1.119 53 I CA 1.310 62.615 61.300 0.009 0.000 1.417 53 I CB -0.410 37.587 38.000 -0.005 0.000 1.078 53 I HN 0.220 nan 8.210 nan 0.000 0.421 54 R N 0.942 121.441 120.500 -0.001 0.000 2.120 54 R HA -0.139 4.195 4.340 -0.011 0.000 0.234 54 R C 1.543 177.848 176.300 0.008 0.000 1.123 54 R CA 1.165 57.264 56.100 -0.000 0.000 0.975 54 R CB -0.258 30.040 30.300 -0.005 0.000 0.866 54 R HN 0.487 nan 8.270 nan 0.000 0.446 55 E N 0.212 120.421 120.200 0.016 0.000 2.489 55 E HA 0.140 4.483 4.350 -0.011 0.000 0.193 55 E C 0.315 176.933 176.600 0.031 0.000 1.057 55 E CA 0.297 56.711 56.400 0.023 0.000 0.866 55 E CB 0.497 30.216 29.700 0.031 0.000 0.916 55 E HN 0.297 nan 8.360 nan 0.000 0.500 56 A N 2.189 125.028 122.820 0.032 0.000 2.783 56 A HA -0.235 4.079 4.320 -0.011 0.000 0.292 56 A C 0.144 177.765 177.584 0.061 0.000 1.495 56 A CA 0.581 52.639 52.037 0.035 0.000 0.787 56 A CB -1.314 17.695 19.000 0.016 0.000 1.017 56 A HN 0.155 nan 8.150 nan 0.000 0.516 57 R N 0.082 120.635 120.500 0.089 0.000 2.679 57 R HA 0.084 4.418 4.340 -0.011 0.000 0.268 57 R C 0.516 176.931 176.300 0.190 0.000 1.044 57 R CA -0.056 56.123 56.100 0.132 0.000 1.105 57 R CB 0.064 30.454 30.300 0.150 0.000 0.989 57 R HN 0.718 nan 8.270 nan 0.000 0.447 58 H N 1.777 120.889 119.070 0.069 0.000 3.160 58 H HA 0.212 4.763 4.556 -0.008 0.000 0.257 58 H C -0.868 174.530 175.328 0.116 0.000 1.140 58 H CA -0.378 55.703 56.048 0.054 0.000 1.492 58 H CB 0.227 29.994 29.762 0.009 0.000 1.529 58 H HN 0.046 nan 8.280 nan 0.000 0.490 59 V N 6.390 126.495 119.914 0.317 0.000 2.686 59 V HA -0.006 4.108 4.120 -0.011 0.000 0.306 59 V C -0.764 175.541 176.094 0.351 0.000 1.065 59 V CA -1.001 61.516 62.300 0.361 0.000 0.894 59 V CB 1.337 33.373 31.823 0.355 0.000 1.004 59 V HN 0.652 nan 8.190 nan 0.000 0.424 60 Y N 3.808 124.336 120.300 0.381 0.000 2.805 60 Y HA 0.351 4.900 4.550 -0.001 0.000 0.331 60 Y C 1.367 177.350 175.900 0.139 0.000 1.241 60 Y CA 1.858 60.078 58.100 0.200 0.000 1.546 60 Y CB 0.482 39.112 38.460 0.282 0.000 1.248 60 Y HN 1.065 nan 8.280 nan 0.000 0.559 61 G N 4.063 112.568 108.800 -0.492 0.000 2.225 61 G HA2 -0.298 3.655 3.960 -0.011 0.000 0.254 61 G HA3 -0.298 3.655 3.960 -0.011 0.000 0.254 61 G C 0.609 175.466 174.900 -0.071 0.000 0.988 61 G CA 0.554 45.470 45.100 -0.307 0.000 0.625 61 G HN 0.673 nan 8.290 nan 0.000 0.527 62 L N -0.080 121.140 121.223 -0.005 0.000 2.609 62 L HA 0.304 4.637 4.340 -0.011 0.000 0.230 62 L C 2.048 178.924 176.870 0.010 0.000 1.064 62 L CA 1.498 56.366 54.840 0.046 0.000 0.873 62 L CB 0.593 42.728 42.059 0.126 0.000 1.139 62 L HN 0.452 nan 8.230 nan 0.000 0.490 63 T N -4.094 110.463 114.554 0.005 0.000 3.403 63 T HA 0.184 4.528 4.350 -0.011 0.000 0.308 63 T C 0.220 174.897 174.700 -0.037 0.000 0.952 63 T CA 0.132 62.230 62.100 -0.004 0.000 0.970 63 T CB 0.025 68.922 68.868 0.049 0.000 1.189 63 T HN 0.163 nan 8.240 nan 0.000 0.528 64 T N -1.882 112.594 114.554 -0.129 0.000 2.841 64 T HA 0.792 5.135 4.350 -0.011 0.000 0.296 64 T C 0.535 174.965 174.700 -0.451 0.000 1.166 64 T CA -0.287 61.709 62.100 -0.172 0.000 1.007 64 T CB 1.438 70.293 68.868 -0.022 0.000 1.253 64 T HN 0.310 nan 8.240 nan 0.000 0.511 65 G N -0.270 108.312 108.800 -0.364 0.000 2.535 65 G HA2 0.575 4.528 3.960 -0.011 0.000 0.282 65 G HA3 0.575 4.528 3.960 -0.011 0.000 0.282 65 G C -1.115 173.358 174.900 -0.711 0.000 1.350 65 G CA -0.802 44.003 45.100 -0.491 0.000 1.039 65 G HN 0.543 nan 8.290 nan 0.000 0.509 66 F N -0.849 119.055 119.950 -0.077 0.000 2.523 66 F HA 0.612 5.131 4.527 -0.014 0.000 0.329 66 F C 1.150 177.047 175.800 0.161 0.000 1.061 66 F CA 0.374 58.379 58.000 0.009 0.000 0.967 66 F CB 1.419 40.441 39.000 0.037 0.000 1.218 66 F HN 1.031 nan 8.300 nan 0.000 0.480 67 G N 2.002 111.109 108.800 0.512 0.000 2.596 67 G HA2 -0.264 3.689 3.960 -0.011 0.000 0.295 67 G HA3 -0.264 3.689 3.960 -0.011 0.000 0.295 67 G C -1.732 173.284 174.900 0.193 0.000 1.240 67 G CA -0.023 45.240 45.100 0.272 0.000 0.985 67 G HN 0.555 nan 8.290 nan 0.000 0.555 68 P HA 0.074 nan 4.420 nan 0.000 0.234 68 P C 1.663 179.003 177.300 0.066 0.000 1.167 68 P CA 0.957 64.104 63.100 0.078 0.000 0.763 68 P CB -0.071 31.661 31.700 0.054 0.000 0.835 69 L N -1.011 120.254 121.223 0.070 0.000 2.591 69 L HA 0.188 4.521 4.340 -0.011 0.000 0.228 69 L C 2.333 179.212 176.870 0.015 0.000 1.133 69 L CA 0.190 55.047 54.840 0.029 0.000 0.880 69 L CB -0.611 41.453 42.059 0.008 0.000 1.033 69 L HN -0.081 nan 8.230 nan 0.000 0.450 70 A N 1.406 124.269 122.820 0.072 0.000 2.125 70 A HA -0.186 4.127 4.320 -0.011 0.000 0.219 70 A C 1.973 179.597 177.584 0.068 0.000 1.156 70 A CA 1.496 53.584 52.037 0.085 0.000 0.671 70 A CB -0.526 18.624 19.000 0.251 0.000 0.794 70 A HN 0.654 nan 8.150 nan 0.000 0.459 71 N N -0.464 118.266 118.700 0.051 0.000 2.571 71 N HA -0.061 4.672 4.740 -0.011 0.000 0.189 71 N C 0.047 175.563 175.510 0.010 0.000 1.154 71 N CA 0.335 53.409 53.050 0.041 0.000 0.907 71 N CB -0.234 38.272 38.487 0.031 0.000 0.977 71 N HN 0.200 nan 8.380 nan 0.000 0.449 72 R N 1.082 121.575 120.500 -0.010 0.000 2.230 72 R HA 0.381 4.714 4.340 -0.011 0.000 0.337 72 R C -0.168 176.098 176.300 -0.057 0.000 1.063 72 R CA -0.314 55.764 56.100 -0.036 0.000 0.935 72 R CB 0.560 30.834 30.300 -0.044 0.000 1.121 72 R HN 0.156 nan 8.270 nan 0.000 0.486 73 L N 3.808 124.994 121.223 -0.062 0.000 2.439 73 L HA 0.276 4.609 4.340 -0.011 0.000 0.269 73 L C 0.227 177.050 176.870 -0.079 0.000 1.179 73 L CA -0.088 54.701 54.840 -0.085 0.000 0.828 73 L CB 0.395 42.377 42.059 -0.127 0.000 1.106 73 L HN 0.339 nan 8.230 nan 0.000 0.467 74 I N 0.887 121.408 120.570 -0.081 0.000 2.646 74 I HA 0.293 4.456 4.170 -0.011 0.000 0.299 74 I C 0.180 176.266 176.117 -0.052 0.000 1.036 74 I CA -0.422 60.836 61.300 -0.070 0.000 1.074 74 I CB 1.839 39.785 38.000 -0.090 0.000 1.258 74 I HN 0.510 nan 8.210 nan 0.000 0.430 75 S N 2.827 118.503 115.700 -0.041 0.000 2.580 75 S HA 0.288 4.751 4.470 -0.011 0.000 0.274 75 S C 1.351 175.936 174.600 -0.024 0.000 1.329 75 S CA -0.169 58.013 58.200 -0.031 0.000 1.036 75 S CB 1.422 64.606 63.200 -0.026 0.000 0.919 75 S HN 0.912 nan 8.310 nan 0.000 0.515 76 G N 1.237 110.027 108.800 -0.018 0.000 2.498 76 G HA2 -0.191 3.762 3.960 -0.011 0.000 0.219 76 G HA3 -0.191 3.762 3.960 -0.011 0.000 0.219 76 G C 1.044 175.937 174.900 -0.013 0.000 1.119 76 G CA 0.665 45.758 45.100 -0.012 0.000 0.766 76 G HN 0.889 nan 8.290 nan 0.000 0.552 77 E N -0.076 120.115 120.200 -0.014 0.000 2.511 77 E HA 0.019 4.362 4.350 -0.011 0.000 0.196 77 E C 0.778 177.372 176.600 -0.010 0.000 1.066 77 E CA 0.400 56.792 56.400 -0.012 0.000 0.871 77 E CB -0.009 29.684 29.700 -0.012 0.000 0.863 77 E HN 0.318 nan 8.360 nan 0.000 0.520 78 N N 0.423 119.116 118.700 -0.012 0.000 2.194 78 N HA 0.068 4.802 4.740 -0.011 0.000 0.231 78 N C 1.069 176.575 175.510 -0.005 0.000 1.247 78 N CA 0.055 53.101 53.050 -0.008 0.000 0.884 78 N CB 1.363 39.844 38.487 -0.011 0.000 1.146 78 N HN 0.001 nan 8.380 nan 0.000 0.516 79 V N 1.315 121.226 119.914 -0.006 0.000 2.343 79 V HA -0.189 3.925 4.120 -0.011 0.000 0.247 79 V C 2.378 178.482 176.094 0.016 0.000 1.051 79 V CA 1.607 63.908 62.300 0.002 0.000 1.036 79 V CB -0.301 31.525 31.823 0.005 0.000 0.654 79 V HN 0.261 nan 8.190 nan 0.000 0.451 80 R N -0.198 120.307 120.500 0.008 0.000 2.081 80 R HA -0.136 4.197 4.340 -0.011 0.000 0.235 80 R C 2.407 178.710 176.300 0.006 0.000 1.131 80 R CA 1.909 58.012 56.100 0.005 0.000 0.960 80 R CB -0.735 29.562 30.300 -0.004 0.000 0.856 80 R HN 0.502 nan 8.270 nan 0.000 0.436 81 T N 1.834 116.395 114.554 0.011 0.000 2.777 81 T HA -0.114 4.230 4.350 -0.011 0.000 0.266 81 T C 1.756 176.478 174.700 0.037 0.000 1.040 81 T CA 0.952 63.063 62.100 0.019 0.000 1.141 81 T CB -0.214 68.667 68.868 0.023 0.000 0.868 81 T HN 0.082 nan 8.240 nan 0.000 0.444 82 L N 1.441 122.694 121.223 0.050 0.000 1.990 82 L HA -0.156 4.178 4.340 -0.011 0.000 0.213 82 L C 2.387 179.376 176.870 0.199 0.000 1.072 82 L CA 1.859 56.764 54.840 0.108 0.000 0.755 82 L CB -0.680 41.402 42.059 0.039 0.000 0.889 82 L HN 0.257 nan 8.230 nan 0.000 0.432 83 Q N -0.959 118.917 119.800 0.127 0.000 2.297 83 Q HA -0.049 4.284 4.340 -0.011 0.000 0.204 83 Q C 2.167 178.131 176.000 -0.060 0.000 0.962 83 Q CA 1.060 56.914 55.803 0.084 0.000 0.879 83 Q CB -0.238 28.538 28.738 0.064 0.000 0.947 83 Q HN 0.702 nan 8.270 nan 0.000 0.462 84 A N 1.641 124.405 122.820 -0.093 0.000 1.929 84 A HA -0.144 4.169 4.320 -0.011 0.000 0.216 84 A C 1.713 179.019 177.584 -0.463 0.000 1.176 84 A CA 1.175 53.048 52.037 -0.272 0.000 0.628 84 A CB -0.203 18.682 19.000 -0.191 0.000 0.816 84 A HN 0.242 nan 8.150 nan 0.000 0.444 85 N N -0.276 118.336 118.700 -0.147 0.000 2.409 85 N HA -0.060 4.673 4.740 -0.011 0.000 0.179 85 N C 1.480 177.037 175.510 0.078 0.000 1.032 85 N CA 0.949 54.013 53.050 0.023 0.000 0.898 85 N CB -0.355 38.223 38.487 0.152 0.000 0.971 85 N HN 0.449 nan 8.380 nan 0.000 0.441 86 L N 0.733 121.935 121.223 -0.035 0.000 1.994 86 L HA -0.056 4.277 4.340 -0.011 0.000 0.208 86 L C 1.873 178.473 176.870 -0.451 0.000 1.071 86 L CA 1.419 56.084 54.840 -0.291 0.000 0.745 86 L CB -0.677 41.005 42.059 -0.628 0.000 0.892 86 L HN -0.127 nan 8.230 nan 0.000 0.431 87 V N -0.248 119.458 119.914 -0.345 0.000 2.407 87 V HA -0.333 3.781 4.120 -0.011 0.000 0.248 87 V C 2.386 178.347 176.094 -0.221 0.000 1.055 87 V CA 2.183 64.296 62.300 -0.311 0.000 1.049 87 V CB -1.038 30.627 31.823 -0.263 0.000 0.662 87 V HN 0.620 nan 8.190 nan 0.000 0.455 88 H N -0.341 118.630 119.070 -0.165 0.000 2.270 88 H HA -0.180 4.370 4.556 -0.011 0.000 0.299 88 H C 2.395 177.660 175.328 -0.104 0.000 1.077 88 H CA 1.678 57.659 56.048 -0.111 0.000 1.294 88 H CB -0.245 29.500 29.762 -0.028 0.000 1.371 88 H HN 0.652 nan 8.280 nan 0.000 0.491 89 H N 0.737 119.835 119.070 0.048 0.000 2.456 89 H HA -0.069 4.480 4.556 -0.012 0.000 0.296 89 H C 1.898 177.199 175.328 -0.044 0.000 1.079 89 H CA 0.950 56.998 56.048 -0.001 0.000 1.322 89 H CB -0.303 29.462 29.762 0.005 0.000 1.388 89 H HN 0.334 nan 8.280 nan 0.000 0.538 90 L N 0.945 121.832 121.223 -0.560 0.000 2.395 90 L HA 0.110 4.444 4.340 -0.011 0.000 0.218 90 L C 1.962 178.688 176.870 -0.240 0.000 1.130 90 L CA 0.404 54.992 54.840 -0.419 0.000 0.826 90 L CB -0.138 41.616 42.059 -0.509 0.000 0.941 90 L HN 0.270 nan 8.230 nan 0.000 0.451 91 A N 0.112 122.757 122.820 -0.292 0.000 3.029 91 A HA 0.131 4.444 4.320 -0.011 0.000 0.251 91 A C 1.251 178.783 177.584 -0.086 0.000 1.749 91 A CA 0.350 52.087 52.037 -0.500 0.000 1.386 91 A CB -0.671 17.982 19.000 -0.578 0.000 1.043 91 A HN 0.374 nan 8.150 nan 0.000 0.638 92 S N -0.577 115.177 115.700 0.091 0.000 2.602 92 S HA 0.374 4.837 4.470 -0.011 0.000 0.240 92 S C 0.880 175.581 174.600 0.168 0.000 0.992 92 S CA 0.075 58.350 58.200 0.125 0.000 0.971 92 S CB 0.038 63.279 63.200 0.067 0.000 0.855 92 S HN 0.765 nan 8.310 nan 0.000 0.481 93 G N 1.564 110.571 108.800 0.345 0.000 2.544 93 G HA2 0.488 4.442 3.960 -0.011 0.000 0.242 93 G HA3 0.488 4.442 3.960 -0.011 0.000 0.242 93 G C -0.124 174.739 174.900 -0.063 0.000 1.247 93 G CA 0.151 45.277 45.100 0.043 0.000 0.840 93 G HN 1.048 nan 8.290 nan 0.000 0.578 94 V N -0.816 119.056 119.914 -0.069 0.000 3.182 94 V HA 1.031 5.145 4.120 -0.011 0.000 0.308 94 V C 0.561 176.618 176.094 -0.063 0.000 1.240 94 V CA -0.101 62.164 62.300 -0.058 0.000 1.063 94 V CB 1.112 32.922 31.823 -0.021 0.000 1.076 94 V HN 2.563 nan 8.190 nan 0.000 0.446 95 G N 0.682 109.454 108.800 -0.047 0.000 2.712 95 G HA2 0.051 4.005 3.960 -0.011 0.000 0.683 95 G HA3 0.051 4.005 3.960 -0.011 0.000 0.683 95 G C -3.030 171.845 174.900 -0.043 0.000 1.320 95 G CA -0.344 44.733 45.100 -0.037 0.000 0.847 95 G HN 1.002 nan 8.290 nan 0.000 0.553 96 P HA 0.380 nan 4.420 nan 0.000 0.266 96 P C 0.804 178.086 177.300 -0.030 0.000 1.195 96 P CA 0.104 63.191 63.100 -0.020 0.000 0.768 96 P CB 0.716 32.413 31.700 -0.005 0.000 0.838 97 V N 1.745 121.642 119.914 -0.028 0.000 3.051 97 V HA 0.153 4.266 4.120 -0.011 0.000 0.306 97 V C 0.287 176.375 176.094 -0.011 0.000 1.083 97 V CA -0.569 61.710 62.300 -0.035 0.000 1.104 97 V CB -0.263 31.544 31.823 -0.026 0.000 1.027 97 V HN 0.248 nan 8.190 nan 0.000 0.483 98 L N 2.740 123.953 121.223 -0.018 0.000 2.456 98 L HA 0.259 4.593 4.340 -0.011 0.000 0.272 98 L C 0.633 177.522 176.870 0.031 0.000 1.189 98 L CA -0.235 54.606 54.840 0.001 0.000 0.846 98 L CB 0.257 42.306 42.059 -0.016 0.000 1.111 98 L HN 1.031 nan 8.230 nan 0.000 0.475 99 D N 0.215 120.649 120.400 0.057 0.000 2.378 99 D HA -0.132 4.502 4.640 -0.011 0.000 0.238 99 D C 0.740 177.127 176.300 0.146 0.000 1.180 99 D CA -0.397 53.669 54.000 0.110 0.000 0.895 99 D CB 0.532 41.403 40.800 0.118 0.000 1.192 99 D HN 0.548 nan 8.370 nan 0.000 0.438 100 W N 1.337 122.640 121.300 0.006 0.000 2.290 100 W HA -0.311 4.344 4.660 -0.010 0.000 0.323 100 W C 2.176 178.688 176.519 -0.011 0.000 1.260 100 W CA 2.786 60.134 57.345 0.005 0.000 1.266 100 W CB -0.805 28.660 29.460 0.009 0.000 1.149 100 W HN 0.455 nan 8.180 nan 0.000 0.482 101 T N -0.357 114.314 114.554 0.195 0.000 2.746 101 T HA -0.205 4.138 4.350 -0.011 0.000 0.267 101 T C 1.570 176.184 174.700 -0.144 0.000 1.039 101 T CA 2.271 64.332 62.100 -0.064 0.000 1.142 101 T CB -0.889 68.034 68.868 0.092 0.000 0.866 101 T HN 0.185 nan 8.240 nan 0.000 0.444 102 T N 1.956 116.486 114.554 -0.039 0.000 2.777 102 T HA 0.021 4.364 4.350 -0.011 0.000 0.266 102 T C 2.428 177.078 174.700 -0.083 0.000 1.040 102 T CA 1.087 63.164 62.100 -0.038 0.000 1.141 102 T CB -0.531 68.344 68.868 0.012 0.000 0.868 102 T HN 0.425 nan 8.240 nan 0.000 0.444 103 A N 1.822 124.582 122.820 -0.101 0.000 1.902 103 A HA -0.131 4.183 4.320 -0.011 0.000 0.217 103 A C 2.369 179.848 177.584 -0.176 0.000 1.181 103 A CA 1.505 53.471 52.037 -0.119 0.000 0.623 103 A CB -0.485 18.449 19.000 -0.110 0.000 0.818 103 A HN 0.411 nan 8.150 nan 0.000 0.443 104 R N -0.583 119.743 120.500 -0.290 0.000 2.115 104 R HA 0.005 4.338 4.340 -0.011 0.000 0.230 104 R C 2.385 178.551 176.300 -0.222 0.000 1.111 104 R CA 1.041 56.948 56.100 -0.322 0.000 0.976 104 R CB -0.409 29.554 30.300 -0.562 0.000 0.870 104 R HN 0.509 nan 8.270 nan 0.000 0.445 105 A N 1.021 123.726 122.820 -0.192 0.000 1.972 105 A HA -0.173 4.140 4.320 -0.011 0.000 0.219 105 A C 2.096 179.624 177.584 -0.094 0.000 1.169 105 A CA 1.223 53.181 52.037 -0.132 0.000 0.635 105 A CB -0.417 18.527 19.000 -0.094 0.000 0.810 105 A HN 0.322 nan 8.150 nan 0.000 0.446 106 M N -0.357 119.190 119.600 -0.089 0.000 2.099 106 M HA -0.108 4.366 4.480 -0.011 0.000 0.262 106 M C 1.881 178.140 176.300 -0.068 0.000 1.067 106 M CA 1.876 57.137 55.300 -0.065 0.000 1.124 106 M CB -0.207 32.359 32.600 -0.058 0.000 1.353 106 M HN 0.188 nan 8.290 nan 0.000 0.410 107 V N 1.130 120.993 119.914 -0.085 0.000 2.332 107 V HA -0.280 3.834 4.120 -0.011 0.000 0.248 107 V C 2.419 178.471 176.094 -0.069 0.000 1.055 107 V CA 1.774 64.030 62.300 -0.074 0.000 1.038 107 V CB -0.963 30.809 31.823 -0.085 0.000 0.651 107 V HN 0.588 nan 8.190 nan 0.000 0.450 108 L N 0.931 122.103 121.223 -0.086 0.000 2.046 108 L HA -0.069 4.264 4.340 -0.011 0.000 0.208 108 L C 2.446 179.278 176.870 -0.063 0.000 1.077 108 L CA 2.358 57.151 54.840 -0.078 0.000 0.747 108 L CB -0.984 41.019 42.059 -0.094 0.000 0.896 108 L HN 0.211 nan 8.230 nan 0.000 0.432 109 A N -0.380 122.404 122.820 -0.060 0.000 1.908 109 A HA -0.267 4.046 4.320 -0.011 0.000 0.218 109 A C 2.464 180.024 177.584 -0.041 0.000 1.181 109 A CA 1.873 53.879 52.037 -0.051 0.000 0.627 109 A CB -0.622 18.352 19.000 -0.044 0.000 0.818 109 A HN 0.493 nan 8.150 nan 0.000 0.445 110 R N -0.633 119.845 120.500 -0.037 0.000 2.075 110 R HA -0.075 4.258 4.340 -0.011 0.000 0.232 110 R C 1.943 178.228 176.300 -0.025 0.000 1.126 110 R CA 1.577 57.661 56.100 -0.026 0.000 0.963 110 R CB -0.684 29.600 30.300 -0.026 0.000 0.858 110 R HN 0.438 nan 8.270 nan 0.000 0.435 111 L N -0.096 121.108 121.223 -0.032 0.000 2.046 111 L HA -0.104 4.230 4.340 -0.011 0.000 0.208 111 L C 1.921 178.773 176.870 -0.029 0.000 1.077 111 L CA 1.644 56.467 54.840 -0.030 0.000 0.747 111 L CB -0.491 41.546 42.059 -0.037 0.000 0.896 111 L HN 0.076 nan 8.230 nan 0.000 0.432 112 V N -1.043 118.848 119.914 -0.039 0.000 2.407 112 V HA -0.267 3.847 4.120 -0.011 0.000 0.248 112 V C 2.761 178.837 176.094 -0.031 0.000 1.055 112 V CA 1.767 64.042 62.300 -0.042 0.000 1.049 112 V CB -0.806 30.980 31.823 -0.061 0.000 0.662 112 V HN 0.642 nan 8.190 nan 0.000 0.455 113 S N -0.295 115.389 115.700 -0.026 0.000 2.355 113 S HA -0.128 4.336 4.470 -0.011 0.000 0.222 113 S C 1.927 176.524 174.600 -0.004 0.000 1.031 113 S CA 1.583 59.773 58.200 -0.016 0.000 0.993 113 S CB -0.320 62.873 63.200 -0.012 0.000 0.859 113 S HN 0.527 nan 8.310 nan 0.000 0.453 114 I N 1.725 122.294 120.570 -0.002 0.000 2.286 114 I HA -0.153 4.010 4.170 -0.011 0.000 0.248 114 I C 2.665 178.785 176.117 0.005 0.000 1.115 114 I CA 1.071 62.376 61.300 0.008 0.000 1.392 114 I CB -0.473 37.529 38.000 0.003 0.000 1.065 114 I HN 0.372 nan 8.210 nan 0.000 0.418 115 A N -0.000 122.817 122.820 -0.005 0.000 2.178 115 A HA -0.188 4.126 4.320 -0.011 0.000 0.218 115 A C 2.060 179.645 177.584 0.002 0.000 1.157 115 A CA 1.121 53.155 52.037 -0.005 0.000 0.689 115 A CB -0.313 18.680 19.000 -0.012 0.000 0.787 115 A HN 0.393 nan 8.150 nan 0.000 0.465 116 Q N -1.136 118.666 119.800 0.005 0.000 2.436 116 Q HA 0.084 4.417 4.340 -0.011 0.000 0.209 116 Q C 1.250 177.261 176.000 0.018 0.000 0.965 116 Q CA 0.764 56.572 55.803 0.009 0.000 0.910 116 Q CB -0.535 28.206 28.738 0.005 0.000 0.980 116 Q HN 1.019 nan 8.270 nan 0.000 0.491 117 G N 0.410 109.224 108.800 0.023 0.000 2.182 117 G HA2 -0.229 3.724 3.960 -0.011 0.000 0.248 117 G HA3 -0.229 3.724 3.960 -0.011 0.000 0.248 117 G C 0.485 175.421 174.900 0.061 0.000 1.042 117 G CA 0.435 45.555 45.100 0.034 0.000 0.775 117 G HN 0.521 nan 8.290 nan 0.000 0.501 118 A N -1.025 121.841 122.820 0.078 0.000 2.635 118 A HA 0.726 5.040 4.320 -0.011 0.000 0.279 118 A C 1.650 179.356 177.584 0.203 0.000 1.122 118 A CA 1.369 53.479 52.037 0.123 0.000 0.965 118 A CB 0.305 19.337 19.000 0.054 0.000 1.221 118 A HN 0.751 nan 8.150 nan 0.000 0.566 119 S N -1.128 114.686 115.700 0.191 0.000 2.502 119 S HA 0.363 4.826 4.470 -0.011 0.000 0.215 119 S C 1.524 176.306 174.600 0.303 0.000 1.009 119 S CA 0.683 59.024 58.200 0.235 0.000 0.908 119 S CB 0.418 63.686 63.200 0.114 0.000 0.801 119 S HN 1.648 nan 8.310 nan 0.000 0.505 120 G N 1.912 110.813 108.800 0.168 0.000 2.162 120 G HA2 -0.236 3.717 3.960 -0.011 0.000 0.260 120 G HA3 -0.236 3.717 3.960 -0.011 0.000 0.260 120 G C 0.221 175.113 174.900 -0.014 0.000 0.976 120 G CA 0.039 45.130 45.100 -0.016 0.000 0.655 120 G HN 0.890 nan 8.290 nan 0.000 0.533 121 A N 0.430 123.260 122.820 0.016 0.000 2.511 121 A HA 0.611 4.925 4.320 -0.011 0.000 0.242 121 A C 1.156 178.698 177.584 -0.070 0.000 1.069 121 A CA 1.030 53.059 52.037 -0.014 0.000 0.763 121 A CB 0.200 19.198 19.000 -0.004 0.000 1.001 121 A HN 2.039 nan 8.150 nan 0.000 0.498 122 S N 1.795 117.418 115.700 -0.129 0.000 2.614 122 S HA 0.170 4.633 4.470 -0.011 0.000 0.265 122 S C 0.736 175.227 174.600 -0.181 0.000 1.303 122 S CA 0.141 58.190 58.200 -0.251 0.000 1.000 122 S CB 0.656 63.504 63.200 -0.587 0.000 0.935 122 S HN 0.715 nan 8.310 nan 0.000 0.551 123 E N 1.493 121.586 120.200 -0.179 0.000 2.118 123 E HA -0.112 4.231 4.350 -0.011 0.000 0.195 123 E C 2.131 178.676 176.600 -0.092 0.000 0.992 123 E CA 1.195 57.531 56.400 -0.107 0.000 0.804 123 E CB -0.759 28.891 29.700 -0.084 0.000 0.741 123 E HN 0.899 nan 8.360 nan 0.000 0.458 124 G N 0.666 109.393 108.800 -0.121 0.000 2.421 124 G HA2 -0.268 3.685 3.960 -0.011 0.000 0.216 124 G HA3 -0.268 3.685 3.960 -0.011 0.000 0.216 124 G C 1.644 176.515 174.900 -0.047 0.000 1.171 124 G CA 1.297 46.357 45.100 -0.067 0.000 0.775 124 G HN 0.184 nan 8.290 nan 0.000 0.543 125 T N 1.423 115.939 114.554 -0.064 0.000 2.684 125 T HA -0.081 4.263 4.350 -0.011 0.000 0.267 125 T C 2.382 177.065 174.700 -0.028 0.000 1.036 125 T CA 1.095 63.174 62.100 -0.035 0.000 1.148 125 T CB -0.183 68.663 68.868 -0.037 0.000 0.863 125 T HN 0.249 nan 8.240 nan 0.000 0.436 126 I N 1.284 121.831 120.570 -0.038 0.000 2.226 126 I HA -0.191 3.972 4.170 -0.011 0.000 0.245 126 I C 2.907 179.010 176.117 -0.024 0.000 1.100 126 I CA 1.132 62.414 61.300 -0.030 0.000 1.374 126 I CB -0.484 37.496 38.000 -0.033 0.000 1.057 126 I HN 0.198 nan 8.210 nan 0.000 0.413 127 A N 0.684 123.489 122.820 -0.025 0.000 1.972 127 A HA -0.171 4.142 4.320 -0.011 0.000 0.219 127 A C 2.319 179.898 177.584 -0.009 0.000 1.169 127 A CA 1.226 53.253 52.037 -0.017 0.000 0.635 127 A CB -0.384 18.605 19.000 -0.017 0.000 0.810 127 A HN 0.251 nan 8.150 nan 0.000 0.446 128 R N -0.216 120.281 120.500 -0.004 0.000 2.096 128 R HA -0.020 4.313 4.340 -0.011 0.000 0.235 128 R C 1.977 178.283 176.300 0.011 0.000 1.127 128 R CA 1.143 57.249 56.100 0.010 0.000 0.968 128 R CB -0.940 29.371 30.300 0.017 0.000 0.861 128 R HN 0.600 nan 8.270 nan 0.000 0.440 129 L N -0.003 121.219 121.223 -0.003 0.000 2.072 129 L HA -0.049 4.285 4.340 -0.011 0.000 0.205 129 L C 2.442 179.301 176.870 -0.018 0.000 1.079 129 L CA 0.945 55.779 54.840 -0.010 0.000 0.752 129 L CB -0.395 41.653 42.059 -0.020 0.000 0.906 129 L HN 0.054 nan 8.230 nan 0.000 0.436 130 I N -0.038 120.521 120.570 -0.018 0.000 2.202 130 I HA -0.273 3.891 4.170 -0.011 0.000 0.242 130 I C 2.116 178.224 176.117 -0.016 0.000 1.091 130 I CA 1.156 62.444 61.300 -0.020 0.000 1.368 130 I CB -0.376 37.613 38.000 -0.018 0.000 1.058 130 I HN 0.251 nan 8.210 nan 0.000 0.410 131 D N 0.842 121.236 120.400 -0.009 0.000 2.123 131 D HA -0.185 4.449 4.640 -0.011 0.000 0.196 131 D C 2.135 178.432 176.300 -0.006 0.000 0.992 131 D CA 0.989 54.984 54.000 -0.007 0.000 0.833 131 D CB -0.359 40.438 40.800 -0.005 0.000 0.954 131 D HN 0.157 nan 8.370 nan 0.000 0.455 132 L N 0.841 122.066 121.223 0.004 0.000 1.989 132 L HA -0.148 4.185 4.340 -0.011 0.000 0.211 132 L C 2.172 179.030 176.870 -0.020 0.000 1.071 132 L CA 1.443 56.292 54.840 0.015 0.000 0.749 132 L CB -0.933 41.153 42.059 0.044 0.000 0.890 132 L HN 0.096 nan 8.230 nan 0.000 0.431 133 L N 0.137 121.334 121.223 -0.043 0.000 2.191 133 L HA -0.206 4.127 4.340 -0.011 0.000 0.212 133 L C 1.900 178.745 176.870 -0.041 0.000 1.103 133 L CA 0.904 55.700 54.840 -0.073 0.000 0.769 133 L CB -0.578 41.436 42.059 -0.076 0.000 0.908 133 L HN 0.381 nan 8.230 nan 0.000 0.438 134 N N -0.483 118.207 118.700 -0.016 0.000 2.398 134 N HA -0.010 4.723 4.740 -0.011 0.000 0.188 134 N C 0.881 176.404 175.510 0.022 0.000 1.122 134 N CA 0.361 53.412 53.050 0.002 0.000 0.866 134 N CB 0.186 38.672 38.487 -0.002 0.000 0.970 134 N HN 0.346 nan 8.380 nan 0.000 0.462 135 S N -0.055 115.660 115.700 0.025 0.000 2.694 135 S HA 0.299 4.763 4.470 -0.011 0.000 0.278 135 S C 0.711 175.387 174.600 0.127 0.000 1.152 135 S CA -0.469 57.758 58.200 0.046 0.000 1.010 135 S CB 1.418 64.627 63.200 0.015 0.000 1.104 135 S HN -0.068 nan 8.310 nan 0.000 0.547 136 E N 0.090 120.389 120.200 0.165 0.000 2.451 136 E HA 0.364 4.708 4.350 -0.011 0.000 0.194 136 E C -0.264 176.633 176.600 0.496 0.000 1.027 136 E CA -0.016 56.571 56.400 0.312 0.000 0.914 136 E CB -0.119 29.664 29.700 0.138 0.000 1.054 136 E HN 0.495 nan 8.360 nan 0.000 0.461 137 L N -0.161 121.279 121.223 0.363 0.000 2.304 137 L HA 0.786 5.119 4.340 -0.011 0.000 0.268 137 L C -0.098 176.908 176.870 0.225 0.000 1.010 137 L CA -1.107 53.975 54.840 0.403 0.000 0.813 137 L CB 1.669 43.827 42.059 0.165 0.000 1.315 137 L HN -0.154 nan 8.230 nan 0.000 0.445 138 A N 0.857 123.828 122.820 0.252 0.000 2.572 138 A HA 0.834 5.148 4.320 -0.011 0.000 0.295 138 A C -2.844 174.827 177.584 0.146 0.000 1.072 138 A CA -1.378 50.657 52.037 -0.003 0.000 0.691 138 A CB 1.957 20.752 19.000 -0.342 0.000 1.291 138 A HN 0.362 nan 8.150 nan 0.000 0.404 139 P HA 0.404 nan 4.420 nan 0.000 0.278 139 P C -0.392 176.823 177.300 -0.142 0.000 1.238 139 P CA 0.048 63.008 63.100 -0.234 0.000 0.794 139 P CB 1.382 32.945 31.700 -0.228 0.000 0.955 140 A N 3.459 126.173 122.820 -0.176 0.000 2.316 140 A HA 0.464 4.778 4.320 -0.011 0.000 0.311 140 A C -0.200 177.318 177.584 -0.110 0.000 1.339 140 A CA -0.390 51.593 52.037 -0.088 0.000 0.960 140 A CB -0.323 18.642 19.000 -0.059 0.000 1.152 140 A HN 0.360 nan 8.150 nan 0.000 0.547 141 V N 5.325 125.177 119.914 -0.102 0.000 2.540 141 V HA 0.346 4.459 4.120 -0.011 0.000 0.302 141 V C -2.418 173.572 176.094 -0.173 0.000 1.035 141 V CA -1.862 60.355 62.300 -0.139 0.000 0.873 141 V CB 1.994 33.767 31.823 -0.084 0.000 0.992 141 V HN 0.705 nan 8.190 nan 0.000 0.428 142 P HA 0.077 nan 4.420 nan 0.000 0.266 142 P C 0.751 177.965 177.300 -0.144 0.000 1.195 142 P CA 0.128 63.085 63.100 -0.240 0.000 0.768 142 P CB 0.629 32.107 31.700 -0.371 0.000 0.838 143 S N 2.618 118.267 115.700 -0.085 0.000 2.470 143 S HA 0.048 4.512 4.470 -0.011 0.000 0.225 143 S C 0.661 175.241 174.600 -0.034 0.000 1.006 143 S CA 0.321 58.493 58.200 -0.046 0.000 0.934 143 S CB -0.093 63.093 63.200 -0.024 0.000 0.778 143 S HN 0.335 nan 8.310 nan 0.000 0.517 144 R N -0.386 120.089 120.500 -0.041 0.000 2.787 144 R HA 0.649 4.983 4.340 -0.011 0.000 0.271 144 R C 0.743 177.033 176.300 -0.017 0.000 0.993 144 R CA -0.154 55.934 56.100 -0.021 0.000 0.993 144 R CB 1.539 31.829 30.300 -0.016 0.000 1.155 144 R HN 0.287 nan 8.270 nan 0.000 0.486 145 G N 0.083 108.884 108.800 0.001 0.000 2.624 145 G HA2 -0.217 3.737 3.960 -0.011 0.000 0.190 145 G HA3 -0.217 3.737 3.960 -0.011 0.000 0.190 145 G C 0.072 174.983 174.900 0.018 0.000 1.008 145 G CA -0.034 45.075 45.100 0.015 0.000 0.731 145 G HN 0.609 nan 8.290 nan 0.000 0.478 146 T N 0.754 115.317 114.554 0.015 0.000 2.907 146 T HA 0.531 4.875 4.350 -0.011 0.000 0.284 146 T C 1.433 176.146 174.700 0.022 0.000 1.004 146 T CA 0.472 62.581 62.100 0.015 0.000 1.063 146 T CB 1.632 70.506 68.868 0.011 0.000 0.992 146 T HN 1.154 nan 8.240 nan 0.000 0.483 147 V N 1.407 121.336 119.914 0.026 0.000 3.542 147 V HA 0.603 4.717 4.120 -0.011 0.000 0.296 147 V C 1.172 177.294 176.094 0.047 0.000 1.364 147 V CA 0.179 62.501 62.300 0.037 0.000 1.118 147 V CB -1.308 30.538 31.823 0.040 0.000 0.972 147 V HN 1.366 nan 8.190 nan 0.000 0.430 153 L N -0.328 120.861 121.223 -0.057 0.000 2.046 153 L HA -0.133 4.201 4.340 -0.011 0.000 0.208 153 L C 2.378 179.197 176.870 -0.086 0.000 1.077 153 L CA 1.411 56.195 54.840 -0.094 0.000 0.747 153 L CB -0.588 41.391 42.059 -0.134 0.000 0.896 153 L HN 0.101 nan 8.230 nan 0.000 0.432 154 T N 0.500 115.027 114.554 -0.045 0.000 2.622 154 T HA -0.096 4.248 4.350 -0.011 0.000 0.266 154 T C -0.434 174.330 174.700 0.107 0.000 1.047 154 T CA 1.760 63.868 62.100 0.013 0.000 1.159 154 T CB -1.202 67.696 68.868 0.051 0.000 0.863 154 T HN 0.300 nan 8.240 nan 0.000 0.422 155 P HA -0.001 nan 4.420 nan 0.000 0.217 155 P C 1.597 178.921 177.300 0.041 0.000 1.150 155 P CA 1.025 64.163 63.100 0.064 0.000 0.832 155 P CB -0.250 31.453 31.700 0.004 0.000 0.787 156 L N -0.700 120.519 121.223 -0.006 0.000 2.141 156 L HA -0.094 4.239 4.340 -0.011 0.000 0.209 156 L C 2.784 179.618 176.870 -0.059 0.000 1.094 156 L CA 1.330 56.150 54.840 -0.035 0.000 0.763 156 L CB -1.064 40.968 42.059 -0.046 0.000 0.908 156 L HN -0.054 nan 8.230 nan 0.000 0.437 157 A N -0.880 121.885 122.820 -0.092 0.000 1.898 157 A HA -0.221 4.092 4.320 -0.011 0.000 0.216 157 A C 2.136 179.615 177.584 -0.174 0.000 1.181 157 A CA 1.292 53.225 52.037 -0.173 0.000 0.620 157 A CB -0.734 18.108 19.000 -0.264 0.000 0.819 157 A HN 0.403 nan 8.150 nan 0.000 0.442 158 H N -1.172 117.843 119.070 -0.093 0.000 2.387 158 H HA -0.105 4.444 4.556 -0.012 0.000 0.299 158 H C 2.093 177.352 175.328 -0.115 0.000 1.090 158 H CA 1.762 57.755 56.048 -0.091 0.000 1.332 158 H CB -0.254 29.457 29.762 -0.084 0.000 1.386 158 H HN 0.599 nan 8.280 nan 0.000 0.516 159 M N 0.622 120.222 119.600 -0.001 0.000 2.117 159 M HA -0.149 4.324 4.480 -0.011 0.000 0.262 159 M C 2.096 178.349 176.300 -0.078 0.000 1.065 159 M CA 1.290 56.552 55.300 -0.064 0.000 1.114 159 M CB -0.106 32.462 32.600 -0.054 0.000 1.361 159 M HN -0.005 nan 8.290 nan 0.000 0.408 160 V N 1.383 121.255 119.914 -0.069 0.000 2.287 160 V HA -0.309 3.804 4.120 -0.011 0.000 0.248 160 V C 2.457 178.516 176.094 -0.059 0.000 1.053 160 V CA 1.887 64.149 62.300 -0.063 0.000 1.027 160 V CB -0.823 30.952 31.823 -0.080 0.000 0.646 160 V HN 0.549 nan 8.190 nan 0.000 0.447 161 L N -0.796 120.383 121.223 -0.074 0.000 2.042 161 L HA -0.237 4.096 4.340 -0.011 0.000 0.210 161 L C 2.657 179.489 176.870 -0.063 0.000 1.076 161 L CA 1.655 56.464 54.840 -0.052 0.000 0.749 161 L CB -0.823 41.201 42.059 -0.057 0.000 0.893 161 L HN 0.409 nan 8.230 nan 0.000 0.432 162 C N -0.159 119.056 119.300 -0.141 0.000 2.432 162 C HA -0.145 4.308 4.460 -0.011 0.000 0.277 162 C C 2.689 177.576 174.990 -0.173 0.000 1.249 162 C CA 0.402 59.223 59.018 -0.330 0.000 1.725 162 C CB -0.838 26.541 27.740 -0.601 0.000 2.028 162 C HN 0.442 nan 8.230 nan 0.000 0.477 163 L N 0.350 121.545 121.223 -0.046 0.000 2.353 163 L HA -0.170 4.164 4.340 -0.011 0.000 0.220 163 L C 2.380 179.327 176.870 0.128 0.000 1.133 163 L CA 1.283 56.201 54.840 0.130 0.000 0.798 163 L CB -0.628 41.471 42.059 0.068 0.000 0.922 163 L HN 0.537 nan 8.230 nan 0.000 0.445 164 Q N -0.457 119.386 119.800 0.071 0.000 2.360 164 Q HA 0.120 4.453 4.340 -0.011 0.000 0.202 164 Q C 1.339 177.394 176.000 0.092 0.000 0.915 164 Q CA 0.491 56.334 55.803 0.067 0.000 0.943 164 Q CB 0.631 29.390 28.738 0.034 0.000 1.064 164 Q HN 0.547 nan 8.270 nan 0.000 0.511 165 G N 1.798 110.685 108.800 0.144 0.000 2.143 165 G HA2 -0.314 3.640 3.960 -0.011 0.000 0.249 165 G HA3 -0.314 3.640 3.960 -0.011 0.000 0.249 165 G C 0.540 175.505 174.900 0.108 0.000 0.981 165 G CA 0.102 45.306 45.100 0.174 0.000 0.665 165 G HN 0.329 nan 8.290 nan 0.000 0.528 166 R N 0.091 120.627 120.500 0.061 0.000 2.552 166 R HA 0.476 4.809 4.340 -0.011 0.000 0.314 166 R C 0.967 177.272 176.300 0.009 0.000 1.041 166 R CA 0.475 56.597 56.100 0.037 0.000 1.076 166 R CB 0.829 31.150 30.300 0.035 0.000 1.290 166 R HN 0.519 nan 8.270 nan 0.000 0.563 167 G N -0.321 108.468 108.800 -0.019 0.000 2.704 167 G HA2 0.232 4.186 3.960 -0.011 0.000 0.293 167 G HA3 0.232 4.186 3.960 -0.011 0.000 0.293 167 G C -1.463 173.364 174.900 -0.120 0.000 1.421 167 G CA -0.652 44.404 45.100 -0.072 0.000 0.870 167 G HN -0.122 nan 8.290 nan 0.000 0.492 168 D N -0.475 119.870 120.400 -0.092 0.000 2.360 168 D HA 0.564 5.198 4.640 -0.011 0.000 0.242 168 D C -0.472 175.716 176.300 -0.186 0.000 1.184 168 D CA 0.566 54.547 54.000 -0.032 0.000 0.930 168 D CB 0.886 41.693 40.800 0.011 0.000 1.161 168 D HN 0.098 nan 8.370 nan 0.000 0.447 169 F N -0.588 119.388 119.950 0.044 0.000 2.611 169 F HA 0.528 5.049 4.527 -0.010 0.000 0.324 169 F C -0.156 175.691 175.800 0.080 0.000 1.061 169 F CA -0.882 57.153 58.000 0.057 0.000 0.954 169 F CB 1.207 40.242 39.000 0.058 0.000 1.301 169 F HN -0.060 nan 8.300 nan 0.000 0.482 170 L N 1.391 122.823 121.223 0.348 0.000 2.370 170 L HA 0.455 4.789 4.340 -0.011 0.000 0.266 170 L C -1.027 176.065 176.870 0.371 0.000 1.002 170 L CA -1.061 53.957 54.840 0.297 0.000 0.818 170 L CB 1.935 44.170 42.059 0.293 0.000 1.325 170 L HN 0.588 nan 8.230 nan 0.000 0.418 171 D N 0.852 121.367 120.400 0.192 0.000 2.437 171 D HA 0.231 4.865 4.640 -0.011 0.000 0.259 171 D C 0.753 176.877 176.300 -0.293 0.000 1.118 171 D CA -0.664 53.364 54.000 0.045 0.000 1.017 171 D CB 0.939 41.728 40.800 -0.018 0.000 1.120 171 D HN 0.343 nan 8.370 nan 0.000 0.541 172 R N -0.559 119.511 120.500 -0.716 0.000 2.170 172 R HA -0.116 4.218 4.340 -0.011 0.000 0.242 172 R C 0.759 176.721 176.300 -0.563 0.000 1.145 172 R CA 1.524 56.889 56.100 -1.225 0.000 0.984 172 R CB -0.132 29.576 30.300 -0.985 0.000 0.869 172 R HN 0.525 nan 8.270 nan 0.000 0.455 173 D N -1.317 118.906 120.400 -0.294 0.000 2.355 173 D HA 0.033 4.666 4.640 -0.011 0.000 0.218 173 D C 1.204 177.465 176.300 -0.064 0.000 1.004 173 D CA 1.083 54.995 54.000 -0.147 0.000 0.880 173 D CB 0.662 41.401 40.800 -0.101 0.000 0.911 173 D HN 0.462 nan 8.370 nan 0.000 0.528 174 G N 1.470 110.251 108.800 -0.031 0.000 2.175 174 G HA2 -0.264 3.690 3.960 -0.011 0.000 0.244 174 G HA3 -0.264 3.690 3.960 -0.011 0.000 0.244 174 G C 0.622 175.549 174.900 0.045 0.000 0.982 174 G CA 0.472 45.600 45.100 0.047 0.000 0.641 174 G HN 0.421 nan 8.290 nan 0.000 0.527 175 T N -0.414 114.155 114.554 0.024 0.000 2.851 175 T HA 0.606 4.949 4.350 -0.011 0.000 0.298 175 T C 0.564 175.299 174.700 0.059 0.000 0.977 175 T CA -0.351 61.767 62.100 0.030 0.000 1.126 175 T CB 1.445 70.320 68.868 0.011 0.000 0.916 175 T HN 0.447 nan 8.240 nan 0.000 0.529 176 R N 2.210 122.745 120.500 0.058 0.000 2.490 176 R HA 0.533 4.867 4.340 -0.011 0.000 0.278 176 R C -0.329 176.021 176.300 0.084 0.000 1.069 176 R CA -0.533 55.614 56.100 0.078 0.000 1.080 176 R CB 0.654 30.989 30.300 0.058 0.000 1.030 176 R HN 0.627 nan 8.270 nan 0.000 0.491 177 L N 2.108 123.406 121.223 0.125 0.000 2.370 177 L HA 0.299 4.633 4.340 -0.011 0.000 0.266 177 L C 0.183 177.149 176.870 0.159 0.000 1.002 177 L CA -1.101 53.814 54.840 0.126 0.000 0.818 177 L CB 2.069 44.210 42.059 0.136 0.000 1.325 177 L HN 0.703 nan 8.230 nan 0.000 0.418 178 D N 1.205 121.680 120.400 0.124 0.000 2.371 178 D HA 0.028 4.662 4.640 -0.011 0.000 0.242 178 D C 1.044 177.468 176.300 0.206 0.000 1.218 178 D CA -0.039 54.037 54.000 0.126 0.000 0.945 178 D CB 1.547 42.396 40.800 0.081 0.000 1.137 178 D HN 0.616 nan 8.370 nan 0.000 0.464 179 G N 0.317 109.234 108.800 0.195 0.000 2.476 179 G HA2 -0.296 3.658 3.960 -0.011 0.000 0.218 179 G HA3 -0.296 3.658 3.960 -0.011 0.000 0.218 179 G C 1.561 176.600 174.900 0.232 0.000 1.164 179 G CA 1.888 47.157 45.100 0.282 0.000 0.768 179 G HN 0.680 nan 8.290 nan 0.000 0.560 180 A N 0.747 123.643 122.820 0.126 0.000 1.877 180 A HA -0.053 4.261 4.320 -0.011 0.000 0.216 180 A C 2.215 179.822 177.584 0.037 0.000 1.186 180 A CA 2.305 54.385 52.037 0.072 0.000 0.620 180 A CB -0.471 18.559 19.000 0.050 0.000 0.822 180 A HN 0.433 nan 8.150 nan 0.000 0.443 181 E N 0.119 120.345 120.200 0.044 0.000 2.150 181 E HA -0.019 4.324 4.350 -0.011 0.000 0.193 181 E C 1.905 178.471 176.600 -0.056 0.000 0.985 181 E CA 1.485 57.889 56.400 0.008 0.000 0.814 181 E CB -0.771 28.947 29.700 0.029 0.000 0.752 181 E HN 0.399 nan 8.360 nan 0.000 0.466 182 G N 0.755 109.513 108.800 -0.070 0.000 2.421 182 G HA2 -0.215 3.739 3.960 -0.011 0.000 0.216 182 G HA3 -0.215 3.739 3.960 -0.011 0.000 0.216 182 G C 1.575 176.120 174.900 -0.591 0.000 1.171 182 G CA 0.905 45.723 45.100 -0.469 0.000 0.775 182 G HN 0.315 nan 8.290 nan 0.000 0.543 183 L N -0.288 120.724 121.223 -0.351 0.000 2.131 183 L HA -0.007 4.326 4.340 -0.011 0.000 0.210 183 L C 2.930 179.715 176.870 -0.142 0.000 1.092 183 L CA 0.995 55.706 54.840 -0.215 0.000 0.759 183 L CB -0.365 41.664 42.059 -0.050 0.000 0.903 183 L HN 0.184 nan 8.230 nan 0.000 0.435 184 R N 0.488 120.925 120.500 -0.104 0.000 2.055 184 R HA -0.149 4.184 4.340 -0.011 0.000 0.228 184 R C 2.520 178.774 176.300 -0.077 0.000 1.143 184 R CA 1.363 57.423 56.100 -0.067 0.000 0.945 184 R CB -0.129 30.148 30.300 -0.039 0.000 0.841 184 R HN 0.166 nan 8.270 nan 0.000 0.429 185 R N -0.470 119.975 120.500 -0.092 0.000 2.096 185 R HA -0.085 4.249 4.340 -0.011 0.000 0.235 185 R C 1.905 178.151 176.300 -0.090 0.000 1.127 185 R CA 1.757 57.810 56.100 -0.078 0.000 0.968 185 R CB -0.441 29.817 30.300 -0.069 0.000 0.861 185 R HN 0.384 nan 8.270 nan 0.000 0.440 186 G N -0.348 108.362 108.800 -0.149 0.000 2.920 186 G HA2 -0.078 3.875 3.960 -0.011 0.000 0.208 186 G HA3 -0.078 3.875 3.960 -0.011 0.000 0.208 186 G C -0.109 174.733 174.900 -0.096 0.000 1.159 186 G CA -0.298 44.721 45.100 -0.135 0.000 0.784 186 G HN 0.246 nan 8.290 nan 0.000 0.535 187 R N -1.029 119.420 120.500 -0.086 0.000 3.333 187 R HA -0.137 4.197 4.340 -0.011 0.000 0.256 187 R C -0.328 175.939 176.300 -0.055 0.000 1.010 187 R CA 0.517 56.583 56.100 -0.056 0.000 0.680 187 R CB -2.632 27.646 30.300 -0.037 0.000 1.102 187 R HN 0.407 nan 8.270 nan 0.000 0.440 188 L N 0.585 121.762 121.223 -0.076 0.000 2.352 188 L HA 0.379 4.713 4.340 -0.011 0.000 0.269 188 L C 0.904 177.759 176.870 -0.026 0.000 1.034 188 L CA -0.892 53.915 54.840 -0.054 0.000 0.806 188 L CB 1.196 43.205 42.059 -0.083 0.000 1.244 188 L HN -0.079 nan 8.230 nan 0.000 0.447 189 Q N 2.202 122.000 119.800 -0.003 0.000 2.245 189 Q HA 0.393 4.726 4.340 -0.011 0.000 0.256 189 Q C -2.343 173.675 176.000 0.030 0.000 0.942 189 Q CA -1.946 53.863 55.803 0.010 0.000 0.896 189 Q CB 1.554 30.298 28.738 0.011 0.000 1.272 189 Q HN 0.301 nan 8.270 nan 0.000 0.442 190 P HA 0.015 nan 4.420 nan 0.000 0.271 190 P C -0.255 177.073 177.300 0.047 0.000 1.220 190 P CA -0.527 62.605 63.100 0.053 0.000 0.768 190 P CB 0.587 32.316 31.700 0.048 0.000 0.848 191 L N 3.386 124.641 121.223 0.052 0.000 2.513 191 L HA 0.157 4.490 4.340 -0.011 0.000 0.272 191 L C -0.079 176.812 176.870 0.035 0.000 1.187 191 L CA 0.679 55.542 54.840 0.039 0.000 0.895 191 L CB -0.587 41.492 42.059 0.034 0.000 1.147 191 L HN 0.308 nan 8.230 nan 0.000 0.483 192 D N 4.521 124.945 120.400 0.041 0.000 2.425 192 D HA 0.254 4.888 4.640 -0.011 0.000 0.240 192 D C -0.127 176.213 176.300 0.068 0.000 1.080 192 D CA -0.205 53.825 54.000 0.050 0.000 0.836 192 D CB 0.837 41.673 40.800 0.060 0.000 1.125 192 D HN 0.618 nan 8.370 nan 0.000 0.525 193 L N 3.204 124.457 121.223 0.049 0.000 2.848 193 L HA 0.118 4.451 4.340 -0.011 0.000 0.240 193 L C 1.849 178.757 176.870 0.064 0.000 1.232 193 L CA -0.144 54.731 54.840 0.057 0.000 1.031 193 L CB -0.190 41.881 42.059 0.020 0.000 1.338 193 L HN 0.408 nan 8.230 nan 0.000 0.509 194 S N -2.067 113.672 115.700 0.065 0.000 2.442 194 S HA -0.213 4.250 4.470 -0.011 0.000 0.236 194 S C 1.434 175.993 174.600 -0.068 0.000 1.007 194 S CA 0.959 59.148 58.200 -0.019 0.000 0.965 194 S CB -0.451 62.704 63.200 -0.075 0.000 0.773 194 S HN 0.534 nan 8.310 nan 0.000 0.504 195 H N 1.651 120.717 119.070 -0.007 0.000 2.543 195 H HA 0.360 4.909 4.556 -0.011 0.000 0.269 195 H C 0.503 175.825 175.328 -0.009 0.000 1.005 195 H CA 0.315 56.356 56.048 -0.012 0.000 1.146 195 H CB -0.185 29.567 29.762 -0.017 0.000 1.353 195 H HN 0.373 nan 8.280 nan 0.000 0.595 196 R N 0.855 121.408 120.500 0.087 0.000 3.531 196 R HA -0.138 4.195 4.340 -0.011 0.000 0.280 196 R C -0.754 175.595 176.300 0.082 0.000 1.130 196 R CA 0.855 56.995 56.100 0.066 0.000 0.757 196 R CB -1.821 28.506 30.300 0.045 0.000 1.218 196 R HN 0.536 nan 8.270 nan 0.000 0.454 197 D N -0.962 119.489 120.400 0.085 0.000 2.525 197 D HA 0.232 4.866 4.640 -0.011 0.000 0.229 197 D C 1.251 177.590 176.300 0.065 0.000 1.202 197 D CA 0.309 54.355 54.000 0.077 0.000 0.828 197 D CB 0.331 41.162 40.800 0.051 0.000 1.008 197 D HN 0.294 nan 8.370 nan 0.000 0.493 198 A N 0.684 123.538 122.820 0.056 0.000 1.978 198 A HA -0.110 4.204 4.320 -0.011 0.000 0.220 198 A C 2.172 179.771 177.584 0.025 0.000 1.170 198 A CA 0.774 52.824 52.037 0.021 0.000 0.636 198 A CB -0.661 18.339 19.000 -0.000 0.000 0.810 198 A HN 0.369 nan 8.150 nan 0.000 0.448 199 L N -1.025 120.244 121.223 0.077 0.000 2.362 199 L HA -0.140 4.194 4.340 -0.011 0.000 0.219 199 L C 2.789 179.708 176.870 0.081 0.000 1.134 199 L CA 0.672 55.568 54.840 0.095 0.000 0.807 199 L CB -0.395 41.768 42.059 0.174 0.000 0.927 199 L HN 0.450 nan 8.230 nan 0.000 0.447 200 A N -0.416 122.452 122.820 0.080 0.000 2.119 200 A HA 0.029 4.342 4.320 -0.011 0.000 0.216 200 A C 2.113 179.714 177.584 0.028 0.000 1.152 200 A CA 0.844 52.920 52.037 0.066 0.000 0.708 200 A CB -0.124 18.916 19.000 0.067 0.000 0.805 200 A HN 0.400 nan 8.150 nan 0.000 0.460 201 L N -1.165 120.064 121.223 0.010 0.000 2.425 201 L HA 0.132 4.465 4.340 -0.011 0.000 0.215 201 L C -0.008 176.844 176.870 -0.029 0.000 1.065 201 L CA 0.221 55.054 54.840 -0.013 0.000 0.842 201 L CB 0.342 42.388 42.059 -0.022 0.000 1.033 201 L HN 0.041 nan 8.230 nan 0.000 0.474 202 V N 2.004 121.894 119.914 -0.040 0.000 2.247 202 V HA 0.400 4.513 4.120 -0.011 0.000 0.262 202 V C -0.487 175.583 176.094 -0.041 0.000 1.096 202 V CA -0.240 62.018 62.300 -0.070 0.000 0.895 202 V CB -0.046 31.697 31.823 -0.134 0.000 1.141 202 V HN 0.330 nan 8.190 nan 0.000 0.478 203 N N 2.109 120.797 118.700 -0.019 0.000 3.533 203 N HA 0.482 5.216 4.740 -0.011 0.000 0.229 203 N C -0.087 175.441 175.510 0.030 0.000 1.418 203 N CA 0.586 53.644 53.050 0.012 0.000 0.880 203 N CB 2.164 40.676 38.487 0.042 0.000 1.415 203 N HN 0.802 nan 8.380 nan 0.000 0.491 204 G N 0.009 108.858 108.800 0.081 0.000 2.698 204 G HA2 -0.235 3.719 3.960 -0.011 0.000 0.233 204 G HA3 -0.235 3.719 3.960 -0.011 0.000 0.233 204 G C 0.151 175.094 174.900 0.071 0.000 1.352 204 G CA 0.481 45.634 45.100 0.088 0.000 0.879 204 G HN 1.260 nan 8.290 nan 0.000 0.567 205 T N -3.124 111.458 114.554 0.047 0.000 3.275 205 T HA 0.587 4.930 4.350 -0.011 0.000 0.265 205 T C 1.729 176.433 174.700 0.007 0.000 0.978 205 T CA 0.905 63.025 62.100 0.033 0.000 0.923 205 T CB 0.475 69.361 68.868 0.030 0.000 1.126 205 T HN 0.824 nan 8.240 nan 0.000 0.538 206 S N 1.606 117.306 115.700 0.000 0.000 2.370 206 S HA -0.057 4.407 4.470 -0.011 0.000 0.226 206 S C 2.471 177.061 174.600 -0.016 0.000 1.033 206 S CA 1.244 59.435 58.200 -0.015 0.000 1.011 206 S CB -0.559 62.629 63.200 -0.020 0.000 0.852 206 S HN 0.835 nan 8.310 nan 0.000 0.457 207 A N 2.734 125.548 122.820 -0.010 0.000 1.855 207 A HA -0.095 4.219 4.320 -0.011 0.000 0.215 207 A C 2.286 179.870 177.584 0.000 0.000 1.191 207 A CA 1.787 53.819 52.037 -0.009 0.000 0.613 207 A CB -0.812 18.184 19.000 -0.006 0.000 0.829 207 A HN 0.658 nan 8.150 nan 0.000 0.442 208 M N -1.516 118.089 119.600 0.008 0.000 2.159 208 M HA -0.087 4.387 4.480 -0.011 0.000 0.263 208 M C 1.802 178.108 176.300 0.010 0.000 1.063 208 M CA 2.293 57.602 55.300 0.016 0.000 1.110 208 M CB -1.322 31.290 32.600 0.021 0.000 1.374 208 M HN 0.165 nan 8.290 nan 0.000 0.411 209 T N 1.167 115.718 114.554 -0.005 0.000 2.777 209 T HA 0.004 4.348 4.350 -0.011 0.000 0.266 209 T C 1.975 176.671 174.700 -0.007 0.000 1.040 209 T CA 1.647 63.736 62.100 -0.018 0.000 1.141 209 T CB -0.729 68.120 68.868 -0.032 0.000 0.868 209 T HN 0.719 nan 8.240 nan 0.000 0.444 210 G N 1.293 110.087 108.800 -0.010 0.000 2.418 210 G HA2 -0.119 3.835 3.960 -0.011 0.000 0.217 210 G HA3 -0.119 3.835 3.960 -0.011 0.000 0.217 210 G C 1.525 176.435 174.900 0.017 0.000 1.158 210 G CA 0.465 45.558 45.100 -0.012 0.000 0.771 210 G HN 0.482 nan 8.290 nan 0.000 0.545 211 I N 1.457 122.042 120.570 0.025 0.000 2.226 211 I HA -0.179 3.984 4.170 -0.011 0.000 0.245 211 I C 3.275 179.443 176.117 0.084 0.000 1.100 211 I CA 1.065 62.395 61.300 0.050 0.000 1.374 211 I CB -0.197 37.830 38.000 0.045 0.000 1.057 211 I HN 0.236 nan 8.210 nan 0.000 0.413 212 A N 1.244 124.117 122.820 0.087 0.000 1.933 212 A HA -0.169 4.144 4.320 -0.011 0.000 0.218 212 A C 2.239 179.930 177.584 0.178 0.000 1.175 212 A CA 1.790 53.919 52.037 0.152 0.000 0.628 212 A CB -0.825 18.239 19.000 0.106 0.000 0.814 212 A HN 0.515 nan 8.150 nan 0.000 0.444 213 L N -1.989 119.301 121.223 0.112 0.000 2.201 213 L HA 0.022 4.355 4.340 -0.011 0.000 0.212 213 L C 1.906 178.886 176.870 0.183 0.000 1.105 213 L CA 1.524 56.439 54.840 0.125 0.000 0.775 213 L CB -1.017 41.081 42.059 0.065 0.000 0.913 213 L HN 0.005 nan 8.230 nan 0.000 0.440 214 V N 0.682 120.701 119.914 0.176 0.000 2.591 214 V HA -0.128 3.985 4.120 -0.011 0.000 0.249 214 V C 2.411 178.631 176.094 0.210 0.000 1.053 214 V CA 1.521 63.966 62.300 0.243 0.000 1.068 214 V CB -0.928 31.001 31.823 0.176 0.000 0.689 214 V HN 0.486 nan 8.190 nan 0.000 0.462 215 N N 1.058 119.853 118.700 0.159 0.000 2.084 215 N HA -0.125 4.609 4.740 -0.011 0.000 0.190 215 N C 1.945 177.506 175.510 0.085 0.000 1.030 215 N CA 1.728 54.846 53.050 0.115 0.000 0.849 215 N CB -0.586 37.952 38.487 0.084 0.000 1.012 215 N HN 0.464 nan 8.380 nan 0.000 0.423 216 A N 0.339 123.232 122.820 0.121 0.000 1.908 216 A HA -0.227 4.086 4.320 -0.011 0.000 0.218 216 A C 2.127 179.737 177.584 0.044 0.000 1.181 216 A CA 1.968 54.059 52.037 0.089 0.000 0.627 216 A CB -0.972 18.142 19.000 0.190 0.000 0.818 216 A HN 0.477 nan 8.150 nan 0.000 0.445 217 H N -0.289 118.760 119.070 -0.035 0.000 2.326 217 H HA 0.075 4.624 4.556 -0.011 0.000 0.301 217 H C 2.214 177.478 175.328 -0.107 0.000 1.081 217 H CA 1.934 57.883 56.048 -0.166 0.000 1.334 217 H CB -0.257 29.273 29.762 -0.386 0.000 1.385 217 H HN 0.392 nan 8.280 nan 0.000 0.504 218 A N -0.375 122.477 122.820 0.053 0.000 1.933 218 A HA -0.180 4.134 4.320 -0.011 0.000 0.218 218 A C 2.690 180.266 177.584 -0.013 0.000 1.175 218 A CA 1.488 53.558 52.037 0.054 0.000 0.628 218 A CB -1.214 17.851 19.000 0.109 0.000 0.814 218 A HN 0.648 nan 8.150 nan 0.000 0.444 219 C N -1.350 117.954 119.300 0.007 0.000 2.435 219 C HA -0.016 4.438 4.460 -0.011 0.000 0.279 219 C C 2.782 177.745 174.990 -0.045 0.000 1.321 219 C CA 1.108 60.165 59.018 0.066 0.000 1.752 219 C CB -1.290 26.520 27.740 0.117 0.000 1.959 219 C HN 0.740 nan 8.230 nan 0.000 0.500 220 R N -0.115 120.267 120.500 -0.196 0.000 2.081 220 R HA -0.129 4.205 4.340 -0.011 0.000 0.235 220 R C 2.229 178.318 176.300 -0.352 0.000 1.131 220 R CA 1.541 57.443 56.100 -0.330 0.000 0.960 220 R CB -0.417 29.600 30.300 -0.471 0.000 0.856 220 R HN 0.603 nan 8.270 nan 0.000 0.436 221 H N 0.511 119.442 119.070 -0.231 0.000 2.326 221 H HA -0.073 4.476 4.556 -0.011 0.000 0.301 221 H C 2.179 177.487 175.328 -0.033 0.000 1.081 221 H CA 1.631 57.590 56.048 -0.147 0.000 1.334 221 H CB -0.171 29.510 29.762 -0.135 0.000 1.385 221 H HN 0.239 nan 8.280 nan 0.000 0.504 222 L N -0.199 120.991 121.223 -0.054 0.000 2.083 222 L HA -0.089 4.244 4.340 -0.011 0.000 0.209 222 L C 2.760 179.454 176.870 -0.293 0.000 1.083 222 L CA 1.075 55.698 54.840 -0.362 0.000 0.752 222 L CB -0.796 40.664 42.059 -0.997 0.000 0.899 222 L HN 0.298 nan 8.230 nan 0.000 0.433 223 G N -0.068 108.687 108.800 -0.075 0.000 2.418 223 G HA2 -0.256 3.697 3.960 -0.011 0.000 0.217 223 G HA3 -0.256 3.697 3.960 -0.011 0.000 0.217 223 G C 1.403 176.382 174.900 0.132 0.000 1.158 223 G CA 0.548 45.788 45.100 0.233 0.000 0.771 223 G HN 0.311 nan 8.290 nan 0.000 0.545 224 N N 0.117 118.785 118.700 -0.052 0.000 2.166 224 N HA -0.092 4.641 4.740 -0.011 0.000 0.186 224 N C 1.858 177.281 175.510 -0.145 0.000 1.019 224 N CA 0.896 53.864 53.050 -0.137 0.000 0.856 224 N CB -0.333 38.008 38.487 -0.243 0.000 0.993 224 N HN 0.584 nan 8.380 nan 0.000 0.426 225 W N 1.580 122.831 121.300 -0.082 0.000 2.388 225 W HA 0.062 4.715 4.660 -0.012 0.000 0.294 225 W C 2.502 178.995 176.519 -0.043 0.000 1.212 225 W CA 1.095 58.389 57.345 -0.084 0.000 1.271 225 W CB -0.409 28.957 29.460 -0.156 0.000 1.126 225 W HN 0.028 nan 8.180 nan 0.000 0.535 226 A N -0.147 122.794 122.820 0.202 0.000 1.940 226 A HA -0.181 4.132 4.320 -0.011 0.000 0.219 226 A C 1.984 179.659 177.584 0.150 0.000 1.176 226 A CA 2.172 54.344 52.037 0.226 0.000 0.631 226 A CB -1.069 18.164 19.000 0.388 0.000 0.814 226 A HN 0.107 nan 8.150 nan 0.000 0.446 227 V N -0.414 119.573 119.914 0.121 0.000 2.283 227 V HA -0.175 3.938 4.120 -0.011 0.000 0.243 227 V C 3.056 179.136 176.094 -0.024 0.000 1.039 227 V CA 1.818 64.132 62.300 0.023 0.000 1.016 227 V CB -1.180 30.664 31.823 0.035 0.000 0.650 227 V HN 0.602 nan 8.190 nan 0.000 0.449 228 A N -0.320 122.479 122.820 -0.035 0.000 1.933 228 A HA -0.140 4.173 4.320 -0.011 0.000 0.218 228 A C 2.180 179.787 177.584 0.038 0.000 1.175 228 A CA 1.714 53.721 52.037 -0.050 0.000 0.628 228 A CB -0.493 18.397 19.000 -0.183 0.000 0.814 228 A HN 0.522 nan 8.150 nan 0.000 0.444 229 L N -1.232 120.052 121.223 0.102 0.000 2.179 229 L HA -0.080 4.253 4.340 -0.011 0.000 0.208 229 L C 2.628 179.562 176.870 0.106 0.000 1.096 229 L CA 1.422 56.338 54.840 0.127 0.000 0.779 229 L CB -0.764 41.392 42.059 0.162 0.000 0.922 229 L HN 0.298 nan 8.230 nan 0.000 0.443 230 T N 0.158 114.766 114.554 0.090 0.000 2.821 230 T HA -0.120 4.224 4.350 -0.011 0.000 0.267 230 T C 2.055 176.863 174.700 0.180 0.000 1.046 230 T CA 1.277 63.442 62.100 0.108 0.000 1.139 230 T CB -0.107 68.774 68.868 0.023 0.000 0.871 230 T HN 0.420 nan 8.240 nan 0.000 0.454 231 A N 1.312 124.199 122.820 0.112 0.000 1.877 231 A HA 0.000 4.314 4.320 -0.011 0.000 0.216 231 A C 2.203 179.903 177.584 0.194 0.000 1.186 231 A CA 1.173 53.334 52.037 0.207 0.000 0.620 231 A CB -0.810 18.246 19.000 0.092 0.000 0.822 231 A HN 0.392 nan 8.150 nan 0.000 0.443 232 L N -0.771 120.526 121.223 0.122 0.000 2.141 232 L HA -0.081 4.252 4.340 -0.011 0.000 0.209 232 L C 2.202 179.129 176.870 0.095 0.000 1.094 232 L CA 1.702 56.600 54.840 0.096 0.000 0.763 232 L CB -0.663 41.443 42.059 0.078 0.000 0.908 232 L HN 0.381 nan 8.230 nan 0.000 0.437 233 L N -0.177 121.113 121.223 0.112 0.000 2.046 233 L HA -0.117 4.217 4.340 -0.011 0.000 0.208 233 L C 2.491 179.420 176.870 0.098 0.000 1.077 233 L CA 2.093 56.990 54.840 0.095 0.000 0.747 233 L CB -1.055 41.071 42.059 0.111 0.000 0.896 233 L HN 0.258 nan 8.230 nan 0.000 0.432 234 A N -0.877 122.035 122.820 0.153 0.000 1.933 234 A HA -0.206 4.107 4.320 -0.011 0.000 0.218 234 A C 2.115 179.725 177.584 0.043 0.000 1.175 234 A CA 1.759 53.850 52.037 0.090 0.000 0.628 234 A CB -0.598 18.469 19.000 0.112 0.000 0.814 234 A HN 0.646 nan 8.150 nan 0.000 0.444 235 E N -1.171 119.069 120.200 0.067 0.000 2.347 235 E HA -0.100 4.244 4.350 -0.011 0.000 0.196 235 E C 1.491 178.107 176.600 0.027 0.000 1.008 235 E CA 0.830 57.255 56.400 0.042 0.000 0.852 235 E CB -0.220 29.511 29.700 0.052 0.000 0.783 235 E HN 0.676 nan 8.360 nan 0.000 0.505 236 C N 0.011 119.328 119.300 0.029 0.000 2.735 236 C HA 0.190 4.643 4.460 -0.011 0.000 0.271 236 C C 1.670 176.664 174.990 0.006 0.000 1.281 236 C CA -0.033 58.994 59.018 0.015 0.000 1.719 236 C CB -0.169 27.579 27.740 0.013 0.000 2.024 236 C HN 0.323 nan 8.230 nan 0.000 0.566 237 L N -0.115 121.112 121.223 0.007 0.000 3.168 237 L HA 0.287 4.620 4.340 -0.011 0.000 0.277 237 L C 0.352 177.213 176.870 -0.015 0.000 1.245 237 L CA -0.063 54.776 54.840 -0.003 0.000 1.035 237 L CB -0.215 41.846 42.059 0.003 0.000 1.399 237 L HN 0.215 nan 8.230 nan 0.000 0.580 238 R N 0.670 121.160 120.500 -0.017 0.000 3.333 238 R HA -0.150 4.184 4.340 -0.011 0.000 0.256 238 R C 0.674 176.940 176.300 -0.057 0.000 1.010 238 R CA 0.454 56.537 56.100 -0.029 0.000 0.680 238 R CB -1.898 28.389 30.300 -0.023 0.000 1.102 238 R HN 0.498 nan 8.270 nan 0.000 0.440 239 G N 0.696 109.449 108.800 -0.078 0.000 2.491 239 G HA2 0.165 4.118 3.960 -0.011 0.000 0.238 239 G HA3 0.165 4.118 3.960 -0.011 0.000 0.238 239 G C 0.067 174.826 174.900 -0.236 0.000 1.277 239 G CA -0.519 44.488 45.100 -0.155 0.000 0.851 239 G HN 0.240 nan 8.290 nan 0.000 0.573 240 R N 0.787 121.116 120.500 -0.286 0.000 2.202 240 R HA 0.223 4.556 4.340 -0.011 0.000 0.334 240 R C 1.556 177.551 176.300 -0.508 0.000 1.036 240 R CA 0.184 56.111 56.100 -0.288 0.000 0.878 240 R CB 0.860 31.048 30.300 -0.187 0.000 1.067 240 R HN 0.711 nan 8.270 nan 0.000 0.457 241 T N -1.172 113.133 114.554 -0.416 0.000 3.085 241 T HA -0.131 4.213 4.350 -0.011 0.000 0.263 241 T C 1.409 175.962 174.700 -0.245 0.000 1.127 241 T CA 0.876 62.714 62.100 -0.437 0.000 1.103 241 T CB -0.031 68.732 68.868 -0.175 0.000 0.921 241 T HN 0.734 nan 8.240 nan 0.000 0.510 242 E N 1.817 121.910 120.200 -0.178 0.000 2.265 242 E HA 0.006 4.350 4.350 -0.011 0.000 0.196 242 E C 2.197 178.767 176.600 -0.051 0.000 0.996 242 E CA 0.872 57.225 56.400 -0.079 0.000 0.832 242 E CB -0.546 29.122 29.700 -0.053 0.000 0.756 242 E HN 0.600 nan 8.360 nan 0.000 0.491 243 A N 0.707 123.449 122.820 -0.130 0.000 2.119 243 A HA -0.072 4.241 4.320 -0.011 0.000 0.217 243 A C 0.930 178.646 177.584 0.220 0.000 1.153 243 A CA 0.567 52.595 52.037 -0.014 0.000 0.692 243 A CB -0.581 18.378 19.000 -0.069 0.000 0.799 243 A HN 0.481 nan 8.150 nan 0.000 0.458 244 W N -0.278 121.021 121.300 -0.001 0.000 3.239 244 W HA 0.598 5.252 4.660 -0.010 0.000 0.368 244 W C 0.828 177.347 176.519 0.001 0.000 1.154 244 W CA -1.085 56.260 57.345 0.001 0.000 1.860 244 W CB -1.312 28.151 29.460 0.005 0.000 1.094 244 W HN 0.341 nan 8.180 nan 0.000 0.643 245 A N 0.831 123.762 122.820 0.184 0.000 2.498 245 A HA 0.431 4.744 4.320 -0.011 0.000 0.239 245 A C 1.667 179.303 177.584 0.088 0.000 1.068 245 A CA 0.696 52.797 52.037 0.107 0.000 0.766 245 A CB 0.582 19.617 19.000 0.059 0.000 1.003 245 A HN 0.249 nan 8.150 nan 0.000 0.497 246 A N 2.225 125.084 122.820 0.065 0.000 1.972 246 A HA 0.158 4.471 4.320 -0.011 0.000 0.219 246 A C 2.328 179.933 177.584 0.034 0.000 1.169 246 A CA 2.108 54.172 52.037 0.047 0.000 0.635 246 A CB -0.910 18.111 19.000 0.035 0.000 0.810 246 A HN 1.727 nan 8.150 nan 0.000 0.446 247 A N -0.163 122.675 122.820 0.030 0.000 1.940 247 A HA -0.082 4.232 4.320 -0.011 0.000 0.219 247 A C 2.127 179.724 177.584 0.020 0.000 1.176 247 A CA 1.539 53.588 52.037 0.020 0.000 0.631 247 A CB -0.531 18.479 19.000 0.017 0.000 0.814 247 A HN 0.494 nan 8.150 nan 0.000 0.446 248 L N -0.760 120.482 121.223 0.031 0.000 2.109 248 L HA -0.122 4.211 4.340 -0.011 0.000 0.207 248 L C 2.831 179.717 176.870 0.026 0.000 1.086 248 L CA 1.276 56.134 54.840 0.029 0.000 0.760 248 L CB -0.418 41.668 42.059 0.045 0.000 0.910 248 L HN 0.321 nan 8.230 nan 0.000 0.437 249 S N -0.185 115.535 115.700 0.033 0.000 2.370 249 S HA -0.191 4.272 4.470 -0.011 0.000 0.226 249 S C 1.509 176.115 174.600 0.009 0.000 1.033 249 S CA 1.434 59.651 58.200 0.027 0.000 1.011 249 S CB -0.298 62.922 63.200 0.032 0.000 0.852 249 S HN 0.446 nan 8.310 nan 0.000 0.457 250 D N 1.407 121.810 120.400 0.006 0.000 2.178 250 D HA -0.029 4.605 4.640 -0.011 0.000 0.201 250 D C 1.756 178.045 176.300 -0.018 0.000 0.980 250 D CA 0.714 54.710 54.000 -0.006 0.000 0.842 250 D CB -0.302 40.497 40.800 -0.001 0.000 0.948 250 D HN 0.330 nan 8.370 nan 0.000 0.472 251 L N -0.523 120.693 121.223 -0.012 0.000 2.291 251 L HA 0.002 4.335 4.340 -0.011 0.000 0.214 251 L C 1.553 178.401 176.870 -0.036 0.000 1.120 251 L CA 0.560 55.388 54.840 -0.019 0.000 0.799 251 L CB 0.141 42.195 42.059 -0.009 0.000 0.925 251 L HN -0.168 nan 8.230 nan 0.000 0.446 252 R N 0.692 121.169 120.500 -0.039 0.000 2.644 252 R HA 0.189 4.523 4.340 -0.011 0.000 0.271 252 R C -2.207 174.027 176.300 -0.110 0.000 1.687 252 R CA -1.370 54.684 56.100 -0.075 0.000 1.655 252 R CB 0.888 31.186 30.300 -0.002 0.000 1.285 252 R HN -0.144 nan 8.270 nan 0.000 0.643 253 P HA -0.083 nan 4.420 nan 0.000 0.297 253 P C -0.682 176.541 177.300 -0.129 0.000 1.544 253 P CA 0.254 63.285 63.100 -0.115 0.000 0.798 253 P CB -0.356 31.289 31.700 -0.093 0.000 1.757 254 H N 0.852 119.922 119.070 0.000 0.000 2.819 254 H HA 0.097 4.646 4.556 -0.011 0.000 0.303 254 H C -1.321 174.019 175.328 0.019 0.000 1.058 254 H CA -1.539 54.512 56.048 0.004 0.000 1.471 254 H CB 0.563 30.322 29.762 -0.005 0.000 1.480 254 H HN 0.090 nan 8.280 nan 0.000 0.517 255 P HA -0.177 nan 4.420 nan 0.000 0.216 255 P C 1.669 179.043 177.300 0.124 0.000 1.157 255 P CA 1.771 64.932 63.100 0.102 0.000 0.880 255 P CB 0.105 31.860 31.700 0.091 0.000 0.791 256 G N -0.540 108.351 108.800 0.152 0.000 2.442 256 G HA2 -0.308 3.645 3.960 -0.011 0.000 0.219 256 G HA3 -0.308 3.645 3.960 -0.011 0.000 0.219 256 G C 1.676 176.669 174.900 0.156 0.000 1.141 256 G CA 0.759 45.979 45.100 0.200 0.000 0.763 256 G HN 0.330 nan 8.290 nan 0.000 0.554 257 Q N 0.064 119.922 119.800 0.097 0.000 2.049 257 Q HA -0.049 4.284 4.340 -0.011 0.000 0.198 257 Q C 2.479 178.508 176.000 0.049 0.000 0.971 257 Q CA 1.463 57.292 55.803 0.044 0.000 0.833 257 Q CB -0.199 28.581 28.738 0.069 0.000 0.896 257 Q HN 0.502 nan 8.270 nan 0.000 0.434 258 K N 0.193 120.633 120.400 0.067 0.000 2.063 258 K HA -0.238 4.076 4.320 -0.011 0.000 0.208 258 K C 1.663 178.292 176.600 0.048 0.000 1.048 258 K CA 1.911 58.227 56.287 0.049 0.000 0.928 258 K CB -0.171 32.355 32.500 0.044 0.000 0.713 258 K HN 0.191 nan 8.250 nan 0.000 0.442 259 D N -0.123 120.323 120.400 0.077 0.000 2.097 259 D HA -0.102 4.531 4.640 -0.011 0.000 0.197 259 D C 1.717 178.077 176.300 0.100 0.000 0.984 259 D CA 1.528 55.577 54.000 0.082 0.000 0.826 259 D CB -0.086 40.777 40.800 0.105 0.000 0.973 259 D HN 0.325 nan 8.370 nan 0.000 0.460 260 A N 0.640 123.551 122.820 0.151 0.000 1.865 260 A HA -0.037 4.276 4.320 -0.011 0.000 0.217 260 A C 2.411 179.943 177.584 -0.086 0.000 1.191 260 A CA 2.606 54.694 52.037 0.086 0.000 0.623 260 A CB -1.244 17.705 19.000 -0.085 0.000 0.826 260 A HN 0.328 nan 8.150 nan 0.000 0.444 261 A N -0.326 122.440 122.820 -0.090 0.000 1.902 261 A HA 0.159 4.473 4.320 -0.011 0.000 0.217 261 A C 2.515 180.066 177.584 -0.055 0.000 1.181 261 A CA 2.182 54.150 52.037 -0.116 0.000 0.623 261 A CB -1.036 17.957 19.000 -0.011 0.000 0.818 261 A HN 1.112 nan 8.150 nan 0.000 0.443 262 A N -0.200 122.613 122.820 -0.012 0.000 1.902 262 A HA -0.161 4.152 4.320 -0.011 0.000 0.217 262 A C 2.235 179.810 177.584 -0.016 0.000 1.181 262 A CA 1.620 53.658 52.037 0.003 0.000 0.623 262 A CB -0.422 18.584 19.000 0.009 0.000 0.818 262 A HN 0.552 nan 8.150 nan 0.000 0.443 263 R N -0.630 119.850 120.500 -0.035 0.000 2.092 263 R HA 0.059 4.393 4.340 -0.011 0.000 0.231 263 R C 2.013 178.260 176.300 -0.088 0.000 1.119 263 R CA 1.175 57.245 56.100 -0.049 0.000 0.970 263 R CB -0.429 29.852 30.300 -0.033 0.000 0.864 263 R HN 0.494 nan 8.270 nan 0.000 0.440 264 L N 0.232 121.346 121.223 -0.182 0.000 2.017 264 L HA -0.165 4.169 4.340 -0.011 0.000 0.208 264 L C 2.532 179.374 176.870 -0.047 0.000 1.073 264 L CA 1.441 56.082 54.840 -0.332 0.000 0.745 264 L CB -0.334 41.148 42.059 -0.962 0.000 0.894 264 L HN 0.148 nan 8.230 nan 0.000 0.432 265 R N -0.121 120.413 120.500 0.058 0.000 2.081 265 R HA -0.153 4.181 4.340 -0.011 0.000 0.235 265 R C 2.410 178.766 176.300 0.095 0.000 1.131 265 R CA 1.366 57.566 56.100 0.166 0.000 0.960 265 R CB -0.571 29.808 30.300 0.132 0.000 0.856 265 R HN 0.360 nan 8.270 nan 0.000 0.436 266 A N 1.421 124.264 122.820 0.039 0.000 1.902 266 A HA -0.158 4.155 4.320 -0.011 0.000 0.217 266 A C 2.064 179.660 177.584 0.020 0.000 1.181 266 A CA 1.152 53.201 52.037 0.020 0.000 0.623 266 A CB -0.296 18.701 19.000 -0.005 0.000 0.818 266 A HN 0.109 nan 8.150 nan 0.000 0.443 267 R N -0.225 120.282 120.500 0.013 0.000 2.105 267 R HA -0.119 4.215 4.340 -0.011 0.000 0.239 267 R C 1.906 178.239 176.300 0.055 0.000 1.135 267 R CA 1.747 57.856 56.100 0.014 0.000 0.967 267 R CB -1.315 28.982 30.300 -0.005 0.000 0.861 267 R HN 0.681 nan 8.270 nan 0.000 0.442 268 V N -0.917 119.061 119.914 0.107 0.000 3.596 268 V HA 0.112 4.225 4.120 -0.011 0.000 0.289 268 V C 0.206 176.346 176.094 0.077 0.000 1.336 268 V CA -0.584 61.786 62.300 0.117 0.000 1.137 268 V CB -0.530 31.410 31.823 0.195 0.000 0.966 268 V HN -0.081 nan 8.190 nan 0.000 0.428 269 D N 1.432 121.868 120.400 0.059 0.000 2.458 269 D HA 0.411 5.045 4.640 -0.011 0.000 0.243 269 D C 1.455 177.772 176.300 0.028 0.000 1.146 269 D CA 1.931 55.954 54.000 0.039 0.000 0.877 269 D CB 0.540 41.357 40.800 0.028 0.000 1.176 269 D HN 0.557 nan 8.370 nan 0.000 0.461 270 G N 2.402 111.214 108.800 0.021 0.000 2.195 270 G HA2 -0.269 3.685 3.960 -0.011 0.000 0.246 270 G HA3 -0.269 3.685 3.960 -0.011 0.000 0.246 270 G C 0.485 175.395 174.900 0.017 0.000 0.984 270 G CA 0.326 45.435 45.100 0.015 0.000 0.633 270 G HN 0.798 nan 8.290 nan 0.000 0.525 271 S N 0.198 115.912 115.700 0.023 0.000 2.564 271 S HA 0.643 5.106 4.470 -0.011 0.000 0.278 271 S C 1.212 175.820 174.600 0.014 0.000 1.333 271 S CA 0.855 59.069 58.200 0.023 0.000 1.048 271 S CB 1.278 64.499 63.200 0.034 0.000 0.900 271 S HN 1.637 nan 8.310 nan 0.000 0.505 272 A N 5.127 127.955 122.820 0.013 0.000 2.503 272 A HA 0.353 4.667 4.320 -0.011 0.000 0.263 272 A C 1.604 179.194 177.584 0.011 0.000 1.258 272 A CA -0.387 51.656 52.037 0.011 0.000 0.936 272 A CB 0.108 19.115 19.000 0.012 0.000 1.070 272 A HN 0.718 nan 8.150 nan 0.000 0.522 273 R N -0.191 120.315 120.500 0.011 0.000 2.308 273 R HA 0.127 4.461 4.340 -0.011 0.000 0.202 273 R C 0.685 176.984 176.300 -0.001 0.000 0.898 273 R CA 0.867 56.972 56.100 0.008 0.000 1.046 273 R CB -0.176 30.133 30.300 0.014 0.000 1.026 273 R HN 0.493 nan 8.270 nan 0.000 0.512 274 V N -1.467 118.442 119.914 -0.008 0.000 2.973 274 V HA 0.492 4.605 4.120 -0.011 0.000 0.314 274 V C 0.445 176.519 176.094 -0.034 0.000 1.066 274 V CA -0.952 61.326 62.300 -0.038 0.000 1.021 274 V CB 2.086 33.874 31.823 -0.058 0.000 1.076 274 V HN -0.267 nan 8.190 nan 0.000 0.462 275 V N 3.747 123.629 119.914 -0.054 0.000 2.383 275 V HA 0.451 4.564 4.120 -0.011 0.000 0.275 275 V C 1.037 177.105 176.094 -0.043 0.000 1.036 275 V CA -0.244 62.049 62.300 -0.013 0.000 0.889 275 V CB 0.731 32.548 31.823 -0.010 0.000 0.985 275 V HN 0.937 nan 8.190 nan 0.000 0.459 276 R N 1.586 122.065 120.500 -0.036 0.000 2.334 276 R HA 0.193 4.526 4.340 -0.011 0.000 0.212 276 R C -0.090 176.129 176.300 -0.136 0.000 0.897 276 R CA -0.181 55.854 56.100 -0.109 0.000 1.056 276 R CB 0.206 30.418 30.300 -0.147 0.000 1.046 276 R HN 0.721 nan 8.270 nan 0.000 0.513 277 H N 0.146 119.191 119.070 -0.041 0.000 2.848 277 H HA 0.066 4.615 4.556 -0.011 0.000 0.341 277 H C -0.207 175.100 175.328 -0.036 0.000 1.060 277 H CA 0.047 56.076 56.048 -0.032 0.000 1.444 277 H CB 0.935 30.681 29.762 -0.028 0.000 1.446 277 H HN -0.204 nan 8.280 nan 0.000 0.583 278 V N 6.103 126.060 119.914 0.072 0.000 2.427 278 V HA -0.046 4.067 4.120 -0.011 0.000 0.268 278 V C 1.829 177.952 176.094 0.049 0.000 1.046 278 V CA 0.100 62.420 62.300 0.034 0.000 0.970 278 V CB -0.095 31.737 31.823 0.016 0.000 1.001 278 V HN 0.797 nan 8.190 nan 0.000 0.476 279 I N 3.272 123.859 120.570 0.028 0.000 2.361 279 I HA -0.123 4.040 4.170 -0.011 0.000 0.251 279 I C 2.083 178.208 176.117 0.012 0.000 1.133 279 I CA 1.924 63.235 61.300 0.017 0.000 1.413 279 I CB -0.268 37.734 38.000 0.003 0.000 1.073 279 I HN 0.561 nan 8.210 nan 0.000 0.424 280 A N 0.959 123.786 122.820 0.012 0.000 2.172 280 A HA -0.086 4.228 4.320 -0.011 0.000 0.216 280 A C 2.136 179.726 177.584 0.012 0.000 1.154 280 A CA 1.031 53.073 52.037 0.009 0.000 0.701 280 A CB -0.512 18.493 19.000 0.007 0.000 0.789 280 A HN 0.516 nan 8.150 nan 0.000 0.465 281 E N 0.028 120.240 120.200 0.020 0.000 2.208 281 E HA -0.104 4.239 4.350 -0.011 0.000 0.193 281 E C 1.132 177.742 176.600 0.016 0.000 0.988 281 E CA 0.186 56.600 56.400 0.023 0.000 0.828 281 E CB -0.198 29.527 29.700 0.042 0.000 0.763 281 E HN 0.630 nan 8.360 nan 0.000 0.478 282 R N 1.830 122.336 120.500 0.010 0.000 2.401 282 R HA 0.055 4.389 4.340 -0.011 0.000 0.299 282 R C -0.351 175.947 176.300 -0.003 0.000 1.064 282 R CA 0.034 56.133 56.100 -0.003 0.000 1.000 282 R CB 0.395 30.686 30.300 -0.014 0.000 0.973 282 R HN -0.126 nan 8.270 nan 0.000 0.438 283 R N 5.448 125.946 120.500 -0.004 0.000 2.255 283 R HA 0.283 4.616 4.340 -0.011 0.000 0.326 283 R C -0.420 175.876 176.300 -0.007 0.000 0.986 283 R CA -0.595 55.502 56.100 -0.004 0.000 0.847 283 R CB 1.115 31.413 30.300 -0.002 0.000 1.111 283 R HN 0.477 nan 8.270 nan 0.000 0.452 284 L N 2.728 123.947 121.223 -0.007 0.000 2.379 284 L HA 0.350 4.684 4.340 -0.011 0.000 0.269 284 L C 0.184 177.050 176.870 -0.007 0.000 1.084 284 L CA -0.524 54.311 54.840 -0.008 0.000 0.802 284 L CB 0.871 42.926 42.059 -0.008 0.000 1.175 284 L HN 0.680 nan 8.230 nan 0.000 0.448 285 D N 0.600 120.995 120.400 -0.008 0.000 2.614 285 D HA 0.428 5.061 4.640 -0.011 0.000 0.264 285 D C 0.507 176.803 176.300 -0.007 0.000 1.092 285 D CA -0.330 53.666 54.000 -0.007 0.000 1.071 285 D CB 1.284 42.080 40.800 -0.007 0.000 1.443 285 D HN 0.422 nan 8.370 nan 0.000 0.528 286 A N 0.002 122.818 122.820 -0.006 0.000 1.958 286 A HA -0.018 4.295 4.320 -0.011 0.000 0.221 286 A C 2.007 179.587 177.584 -0.006 0.000 1.178 286 A CA 2.327 54.361 52.037 -0.006 0.000 0.642 286 A CB -1.639 17.359 19.000 -0.005 0.000 0.816 286 A HN 0.722 nan 8.150 nan 0.000 0.453 287 G N -1.230 107.566 108.800 -0.007 0.000 2.598 287 G HA2 -0.074 3.880 3.960 -0.011 0.000 0.215 287 G HA3 -0.074 3.880 3.960 -0.011 0.000 0.215 287 G C 0.902 175.796 174.900 -0.010 0.000 1.131 287 G CA 0.974 46.069 45.100 -0.008 0.000 0.785 287 G HN 0.529 nan 8.290 nan 0.000 0.539 288 D N 0.199 120.593 120.400 -0.010 0.000 2.346 288 D HA 0.043 4.676 4.640 -0.011 0.000 0.206 288 D C 0.946 177.240 176.300 -0.010 0.000 1.001 288 D CA -0.130 53.863 54.000 -0.012 0.000 0.871 288 D CB 0.562 41.354 40.800 -0.013 0.000 0.943 288 D HN 0.126 nan 8.370 nan 0.000 0.518 289 I N 1.662 122.227 120.570 -0.008 0.000 2.662 289 I HA 0.290 4.453 4.170 -0.011 0.000 0.285 289 I C 1.341 177.454 176.117 -0.008 0.000 1.161 289 I CA 0.826 62.122 61.300 -0.007 0.000 1.415 289 I CB 0.021 38.017 38.000 -0.006 0.000 1.385 289 I HN -0.003 nan 8.210 nan 0.000 0.552 290 G N 5.312 114.107 108.800 -0.008 0.000 2.333 290 G HA2 0.137 4.090 3.960 -0.011 0.000 0.288 290 G HA3 0.137 4.090 3.960 -0.011 0.000 0.288 290 G C -1.146 173.749 174.900 -0.009 0.000 1.286 290 G CA -0.743 44.352 45.100 -0.008 0.000 0.865 290 G HN 0.393 nan 8.290 nan 0.000 0.506 291 T N 1.983 116.532 114.554 -0.009 0.000 2.744 291 T HA 0.531 4.874 4.350 -0.011 0.000 0.291 291 T C -0.019 174.674 174.700 -0.011 0.000 0.957 291 T CA -0.165 61.930 62.100 -0.009 0.000 1.002 291 T CB 1.155 70.018 68.868 -0.009 0.000 0.919 291 T HN 0.432 nan 8.240 nan 0.000 0.468 292 E N 3.306 123.499 120.200 -0.012 0.000 2.283 292 E HA 0.189 4.533 4.350 -0.011 0.000 0.267 292 E C -1.307 175.284 176.600 -0.015 0.000 1.045 292 E CA -2.015 54.377 56.400 -0.015 0.000 0.884 292 E CB 0.728 30.419 29.700 -0.016 0.000 1.106 292 E HN 0.332 nan 8.360 nan 0.000 0.408 293 P HA -0.135 nan 4.420 nan 0.000 0.215 293 P C -0.498 176.792 177.300 -0.016 0.000 1.153 293 P CA 1.442 64.532 63.100 -0.016 0.000 0.853 293 P CB 0.319 32.009 31.700 -0.017 0.000 0.788 294 E N -1.805 118.385 120.200 -0.017 0.000 2.369 294 E HA 0.603 4.946 4.350 -0.011 0.000 0.270 294 E C -0.904 175.687 176.600 -0.015 0.000 0.909 294 E CA -1.118 55.272 56.400 -0.017 0.000 0.775 294 E CB 1.982 31.670 29.700 -0.019 0.000 1.270 294 E HN -0.081 nan 8.360 nan 0.000 0.445 295 A N 0.536 123.348 122.820 -0.013 0.000 2.346 295 A HA 0.418 4.732 4.320 -0.011 0.000 0.252 295 A C 1.177 178.755 177.584 -0.010 0.000 1.089 295 A CA 0.383 52.415 52.037 -0.009 0.000 0.797 295 A CB 0.063 19.060 19.000 -0.004 0.000 1.047 295 A HN 0.784 nan 8.150 nan 0.000 0.494 296 G N -0.759 108.037 108.800 -0.006 0.000 2.848 296 G HA2 0.284 4.237 3.960 -0.011 0.000 0.208 296 G HA3 0.284 4.237 3.960 -0.011 0.000 0.208 296 G C 0.457 175.351 174.900 -0.009 0.000 1.152 296 G CA 0.394 45.489 45.100 -0.009 0.000 0.789 296 G HN 0.719 nan 8.290 nan 0.000 0.531 297 Q N -0.045 119.755 119.800 -0.000 0.000 2.456 297 Q HA 0.322 4.656 4.340 -0.011 0.000 0.283 297 Q C -1.507 174.502 176.000 0.014 0.000 1.084 297 Q CA -1.047 54.759 55.803 0.006 0.000 0.801 297 Q CB 1.984 30.742 28.738 0.033 0.000 1.434 297 Q HN 0.011 nan 8.270 nan 0.000 0.419 298 D N 0.633 121.040 120.400 0.012 0.000 2.354 298 D HA 0.384 5.018 4.640 -0.011 0.000 0.247 298 D C -0.217 176.139 176.300 0.093 0.000 1.138 298 D CA -0.114 53.902 54.000 0.027 0.000 0.958 298 D CB 0.942 41.743 40.800 0.002 0.000 1.144 298 D HN 0.623 nan 8.370 nan 0.000 0.458 299 A N 0.600 123.465 122.820 0.075 0.000 2.386 299 A HA -0.006 4.307 4.320 -0.011 0.000 0.246 299 A C 0.637 178.367 177.584 0.242 0.000 1.089 299 A CA -0.064 52.023 52.037 0.083 0.000 0.790 299 A CB -0.074 18.936 19.000 0.016 0.000 1.042 299 A HN 0.543 nan 8.150 nan 0.000 0.497 300 Y N 0.959 121.276 120.300 0.027 0.000 2.256 300 Y HA -0.199 4.345 4.550 -0.011 0.000 0.288 300 Y C 2.903 178.837 175.900 0.056 0.000 1.155 300 Y CA 1.588 59.711 58.100 0.038 0.000 1.203 300 Y CB -1.311 37.163 38.460 0.023 0.000 0.980 300 Y HN 0.744 nan 8.280 nan 0.000 0.530 301 S N -1.061 114.765 115.700 0.210 0.000 2.500 301 S HA -0.101 4.362 4.470 -0.011 0.000 0.239 301 S C 1.774 176.478 174.600 0.174 0.000 0.989 301 S CA 1.085 59.376 58.200 0.151 0.000 0.951 301 S CB -0.536 62.729 63.200 0.107 0.000 0.759 301 S HN 0.461 nan 8.310 nan 0.000 0.523 302 L N -0.343 121.002 121.223 0.203 0.000 2.588 302 L HA 0.362 4.696 4.340 -0.011 0.000 0.194 302 L C 2.711 179.789 176.870 0.346 0.000 1.070 302 L CA 0.204 55.212 54.840 0.279 0.000 0.852 302 L CB -0.194 41.967 42.059 0.169 0.000 1.199 302 L HN 0.164 nan 8.230 nan 0.000 0.486 303 R N -0.088 120.538 120.500 0.210 0.000 2.120 303 R HA -0.129 4.205 4.340 -0.011 0.000 0.234 303 R C 1.448 177.842 176.300 0.156 0.000 1.123 303 R CA 1.697 57.893 56.100 0.161 0.000 0.975 303 R CB -0.170 30.191 30.300 0.102 0.000 0.866 303 R HN 0.386 nan 8.270 nan 0.000 0.446 304 C N 0.251 119.606 119.300 0.091 0.000 2.688 304 C HA 0.449 4.902 4.460 -0.011 0.000 0.297 304 C C 2.057 177.056 174.990 0.015 0.000 1.308 304 C CA -0.394 58.615 59.018 -0.015 0.000 1.726 304 C CB -0.329 27.304 27.740 -0.179 0.000 1.982 304 C HN 0.622 nan 8.230 nan 0.000 0.604 305 A N 2.652 125.527 122.820 0.091 0.000 1.908 305 A HA -0.092 4.222 4.320 -0.011 0.000 0.218 305 A C 0.005 177.504 177.584 -0.142 0.000 1.181 305 A CA 1.769 53.796 52.037 -0.017 0.000 0.627 305 A CB -1.536 17.460 19.000 -0.006 0.000 0.818 305 A HN 0.413 nan 8.150 nan 0.000 0.445 306 P HA -0.154 nan 4.420 nan 0.000 0.215 306 P C 1.262 178.479 177.300 -0.138 0.000 1.153 306 P CA 1.502 64.503 63.100 -0.165 0.000 0.853 306 P CB -0.039 31.614 31.700 -0.079 0.000 0.788 307 Q N -1.056 118.686 119.800 -0.096 0.000 2.083 307 Q HA -0.068 4.266 4.340 -0.011 0.000 0.198 307 Q C 2.125 178.037 176.000 -0.146 0.000 0.969 307 Q CA 1.171 56.913 55.803 -0.101 0.000 0.838 307 Q CB -1.305 27.383 28.738 -0.083 0.000 0.900 307 Q HN 0.091 nan 8.270 nan 0.000 0.436 308 V N 0.319 120.145 119.914 -0.147 0.000 2.255 308 V HA -0.201 3.912 4.120 -0.011 0.000 0.243 308 V C 2.097 178.039 176.094 -0.253 0.000 1.038 308 V CA 1.438 63.642 62.300 -0.160 0.000 1.008 308 V CB -0.620 31.137 31.823 -0.110 0.000 0.645 308 V HN 0.299 nan 8.190 nan 0.000 0.449 309 L N 0.592 121.614 121.223 -0.335 0.000 2.012 309 L HA -0.130 4.203 4.340 -0.011 0.000 0.210 309 L C 2.683 179.023 176.870 -0.882 0.000 1.073 309 L CA 1.896 56.345 54.840 -0.651 0.000 0.748 309 L CB -1.286 40.359 42.059 -0.690 0.000 0.891 309 L HN 0.495 nan 8.230 nan 0.000 0.431 310 G N -0.411 108.079 108.800 -0.516 0.000 2.440 310 G HA2 -0.272 3.682 3.960 -0.011 0.000 0.218 310 G HA3 -0.272 3.682 3.960 -0.011 0.000 0.218 310 G C 1.753 176.552 174.900 -0.168 0.000 1.154 310 G CA 0.882 45.816 45.100 -0.276 0.000 0.767 310 G HN 0.488 nan 8.290 nan 0.000 0.552 311 A N 0.725 123.425 122.820 -0.199 0.000 1.930 311 A HA 0.205 4.518 4.320 -0.011 0.000 0.217 311 A C 2.683 180.212 177.584 -0.092 0.000 1.175 311 A CA 1.977 53.919 52.037 -0.158 0.000 0.627 311 A CB -0.903 17.992 19.000 -0.175 0.000 0.815 311 A HN 0.508 nan 8.150 nan 0.000 0.443 312 G N -1.095 107.621 108.800 -0.140 0.000 2.402 312 G HA2 -0.102 3.852 3.960 -0.011 0.000 0.216 312 G HA3 -0.102 3.852 3.960 -0.011 0.000 0.216 312 G C 1.281 176.287 174.900 0.177 0.000 1.162 312 G CA 0.984 46.057 45.100 -0.045 0.000 0.777 312 G HN 0.374 nan 8.290 nan 0.000 0.539 313 F N 1.728 121.686 119.950 0.014 0.000 2.186 313 F HA 0.037 4.557 4.527 -0.012 0.000 0.299 313 F C 2.280 178.109 175.800 0.048 0.000 1.090 313 F CA 0.376 58.397 58.000 0.033 0.000 1.307 313 F CB -0.601 38.411 39.000 0.021 0.000 1.019 313 F HN 0.121 nan 8.300 nan 0.000 0.489 314 D N -0.623 119.910 120.400 0.221 0.000 2.183 314 D HA -0.094 4.539 4.640 -0.011 0.000 0.203 314 D C 2.194 178.607 176.300 0.190 0.000 0.969 314 D CA 1.338 55.434 54.000 0.160 0.000 0.842 314 D CB -0.316 40.529 40.800 0.074 0.000 0.957 314 D HN 0.201 nan 8.370 nan 0.000 0.484 315 T N 1.198 115.859 114.554 0.177 0.000 2.812 315 T HA -0.106 4.238 4.350 -0.011 0.000 0.264 315 T C 1.907 176.779 174.700 0.287 0.000 1.042 315 T CA 0.335 62.581 62.100 0.243 0.000 1.140 315 T CB -0.209 68.755 68.868 0.161 0.000 0.870 315 T HN 0.036 nan 8.240 nan 0.000 0.445 316 L N 1.658 123.007 121.223 0.210 0.000 2.046 316 L HA 0.073 4.406 4.340 -0.011 0.000 0.208 316 L C 2.582 179.569 176.870 0.195 0.000 1.077 316 L CA 1.798 56.735 54.840 0.161 0.000 0.747 316 L CB -1.095 41.041 42.059 0.128 0.000 0.896 316 L HN 0.223 nan 8.230 nan 0.000 0.432 317 A N -1.162 121.775 122.820 0.196 0.000 1.883 317 A HA -0.289 4.024 4.320 -0.011 0.000 0.217 317 A C 2.143 179.868 177.584 0.235 0.000 1.186 317 A CA 1.839 53.982 52.037 0.176 0.000 0.624 317 A CB -1.499 17.599 19.000 0.162 0.000 0.822 317 A HN 0.742 nan 8.150 nan 0.000 0.444 318 W N 0.376 121.736 121.300 0.099 0.000 2.355 318 W HA -0.188 4.460 4.660 -0.021 0.000 0.309 318 W C 2.257 178.843 176.519 0.112 0.000 1.206 318 W CA 1.915 59.314 57.345 0.089 0.000 1.284 318 W CB -0.752 28.754 29.460 0.077 0.000 1.145 318 W HN 0.632 nan 8.180 nan 0.000 0.502 319 H N 0.190 119.196 119.070 -0.106 0.000 2.319 319 H HA -0.180 4.370 4.556 -0.010 0.000 0.297 319 H C 1.396 176.607 175.328 -0.196 0.000 1.097 319 H CA 2.463 58.345 56.048 -0.276 0.000 1.285 319 H CB -0.564 29.148 29.762 -0.083 0.000 1.368 319 H HN 0.054 nan 8.280 nan 0.000 0.495 320 D N 0.184 120.638 120.400 0.091 0.000 2.178 320 D HA -0.080 4.554 4.640 -0.011 0.000 0.202 320 D C 2.610 178.881 176.300 -0.048 0.000 0.974 320 D CA 0.632 54.655 54.000 0.039 0.000 0.841 320 D CB -0.206 40.656 40.800 0.104 0.000 0.953 320 D HN 0.397 nan 8.370 nan 0.000 0.478 321 R N 0.225 120.703 120.500 -0.037 0.000 2.066 321 R HA -0.051 4.283 4.340 -0.011 0.000 0.232 321 R C 2.335 178.580 176.300 -0.091 0.000 1.131 321 R CA 0.741 56.830 56.100 -0.019 0.000 0.955 321 R CB -0.484 29.852 30.300 0.060 0.000 0.851 321 R HN 0.100 nan 8.270 nan 0.000 0.432 322 V N 1.500 121.282 119.914 -0.221 0.000 2.343 322 V HA -0.223 3.890 4.120 -0.011 0.000 0.247 322 V C 2.237 178.189 176.094 -0.236 0.000 1.051 322 V CA 1.464 63.615 62.300 -0.249 0.000 1.036 322 V CB -0.441 31.120 31.823 -0.436 0.000 0.654 322 V HN 0.235 nan 8.190 nan 0.000 0.451 323 L N -0.029 121.011 121.223 -0.306 0.000 2.083 323 L HA -0.141 4.192 4.340 -0.011 0.000 0.209 323 L C 2.425 179.210 176.870 -0.143 0.000 1.083 323 L CA 2.368 57.053 54.840 -0.258 0.000 0.752 323 L CB -0.964 40.888 42.059 -0.344 0.000 0.899 323 L HN 0.336 nan 8.230 nan 0.000 0.433 324 T N -0.080 114.416 114.554 -0.097 0.000 2.746 324 T HA -0.159 4.184 4.350 -0.011 0.000 0.267 324 T C 1.960 176.640 174.700 -0.033 0.000 1.039 324 T CA 2.021 64.097 62.100 -0.041 0.000 1.142 324 T CB -0.301 68.585 68.868 0.029 0.000 0.866 324 T HN 0.328 nan 8.240 nan 0.000 0.444 325 I N 0.701 121.243 120.570 -0.047 0.000 2.179 325 I HA -0.153 4.010 4.170 -0.011 0.000 0.242 325 I C 2.731 178.795 176.117 -0.087 0.000 1.088 325 I CA 1.328 62.597 61.300 -0.052 0.000 1.357 325 I CB -0.329 37.619 38.000 -0.087 0.000 1.051 325 I HN 0.213 nan 8.210 nan 0.000 0.409 326 E N 1.317 121.444 120.200 -0.122 0.000 2.085 326 E HA -0.264 4.080 4.350 -0.011 0.000 0.194 326 E C 2.034 178.581 176.600 -0.088 0.000 0.994 326 E CA 1.332 57.661 56.400 -0.118 0.000 0.801 326 E CB -0.290 29.336 29.700 -0.123 0.000 0.743 326 E HN 0.310 nan 8.360 nan 0.000 0.453 327 L N 0.998 122.168 121.223 -0.088 0.000 2.042 327 L HA -0.110 4.223 4.340 -0.011 0.000 0.210 327 L C 1.228 178.047 176.870 -0.084 0.000 1.076 327 L CA 1.867 56.656 54.840 -0.084 0.000 0.749 327 L CB -0.470 41.532 42.059 -0.095 0.000 0.893 327 L HN 0.154 nan 8.230 nan 0.000 0.432 328 N N -0.070 118.579 118.700 -0.084 0.000 2.322 328 N HA 0.189 4.922 4.740 -0.011 0.000 0.194 328 N C 0.323 175.813 175.510 -0.033 0.000 1.126 328 N CA 0.629 53.641 53.050 -0.064 0.000 0.845 328 N CB 0.194 38.656 38.487 -0.042 0.000 0.976 328 N HN 0.434 nan 8.380 nan 0.000 0.475 329 A N 0.207 122.999 122.820 -0.047 0.000 2.248 329 A HA 0.593 4.907 4.320 -0.011 0.000 0.316 329 A C -0.008 177.553 177.584 -0.039 0.000 1.101 329 A CA -0.400 51.609 52.037 -0.046 0.000 0.875 329 A CB 0.984 19.941 19.000 -0.072 0.000 1.207 329 A HN -0.040 nan 8.150 nan 0.000 0.504 330 V N 1.118 121.009 119.914 -0.039 0.000 2.328 330 V HA 0.329 4.442 4.120 -0.011 0.000 0.278 330 V C 0.828 176.899 176.094 -0.037 0.000 1.021 330 V CA 0.386 62.668 62.300 -0.030 0.000 0.838 330 V CB 0.679 32.486 31.823 -0.026 0.000 0.999 330 V HN 1.032 nan 8.190 nan 0.000 0.447 331 T N -0.801 113.741 114.554 -0.020 0.000 3.176 331 T HA 0.221 4.565 4.350 -0.011 0.000 0.263 331 T C 0.141 174.866 174.700 0.041 0.000 1.021 331 T CA -0.535 61.560 62.100 -0.008 0.000 0.905 331 T CB -0.315 68.557 68.868 0.007 0.000 1.057 331 T HN 0.533 nan 8.240 nan 0.000 0.558 332 D N 2.452 122.865 120.400 0.021 0.000 2.360 332 D HA 0.514 5.147 4.640 -0.011 0.000 0.242 332 D C -0.061 176.261 176.300 0.037 0.000 1.184 332 D CA 0.071 54.095 54.000 0.040 0.000 0.930 332 D CB 0.475 41.279 40.800 0.006 0.000 1.161 332 D HN 0.351 nan 8.370 nan 0.000 0.447 333 N N -0.039 118.703 118.700 0.070 0.000 2.600 333 N HA 0.261 4.994 4.740 -0.011 0.000 0.272 333 N C -2.933 172.595 175.510 0.029 0.000 1.095 333 N CA -1.271 51.799 53.050 0.033 0.000 0.993 333 N CB 1.740 40.385 38.487 0.263 0.000 1.603 333 N HN 0.023 nan 8.380 nan 0.000 0.526 334 P HA 0.302 nan 4.420 nan 0.000 0.277 334 P C -0.884 176.097 177.300 -0.532 0.000 1.276 334 P CA -0.415 62.407 63.100 -0.463 0.000 0.788 334 P CB 0.855 32.092 31.700 -0.773 0.000 1.114 335 V N -3.717 115.814 119.914 -0.637 0.000 2.962 335 V HA 0.605 4.719 4.120 -0.011 0.000 0.313 335 V C -0.932 174.740 176.094 -0.703 0.000 1.099 335 V CA -0.910 61.055 62.300 -0.558 0.000 0.971 335 V CB 1.605 33.283 31.823 -0.243 0.000 1.028 335 V HN 0.225 nan 8.190 nan 0.000 0.430 336 F N 2.239 122.176 119.950 -0.022 0.000 2.311 336 F HA 0.604 5.128 4.527 -0.005 0.000 0.371 336 F C -2.394 173.402 175.800 -0.006 0.000 1.083 336 F CA -2.591 55.404 58.000 -0.009 0.000 1.113 336 F CB 1.262 40.263 39.000 0.001 0.000 1.349 336 F HN 0.290 nan 8.300 nan 0.000 0.470 337 P HA -0.018 nan 4.420 nan 0.000 0.258 337 P C -1.977 175.369 177.300 0.076 0.000 1.172 337 P CA -0.580 62.558 63.100 0.062 0.000 0.762 337 P CB 0.423 32.148 31.700 0.041 0.000 0.764 338 P HA -0.182 nan 4.420 nan 0.000 0.219 338 P C 0.761 178.082 177.300 0.036 0.000 1.146 338 P CA 1.338 64.466 63.100 0.047 0.000 0.808 338 P CB -0.071 31.649 31.700 0.034 0.000 0.779 339 D N -2.049 118.369 120.400 0.031 0.000 2.323 339 D HA 0.049 4.683 4.640 -0.011 0.000 0.209 339 D C 1.468 177.785 176.300 0.029 0.000 0.973 339 D CA 0.914 54.929 54.000 0.025 0.000 0.874 339 D CB -1.100 39.711 40.800 0.019 0.000 0.930 339 D HN 0.162 nan 8.370 nan 0.000 0.521 340 G N 0.078 108.903 108.800 0.040 0.000 2.143 340 G HA2 -0.371 3.583 3.960 -0.011 0.000 0.249 340 G HA3 -0.371 3.583 3.960 -0.011 0.000 0.249 340 G C 1.258 176.182 174.900 0.040 0.000 0.981 340 G CA 1.069 46.196 45.100 0.044 0.000 0.665 340 G HN 0.658 nan 8.290 nan 0.000 0.528 341 S N -1.292 114.429 115.700 0.035 0.000 2.374 341 S HA 0.135 4.598 4.470 -0.011 0.000 0.227 341 S C 1.242 175.864 174.600 0.037 0.000 1.037 341 S CA 2.208 60.426 58.200 0.030 0.000 1.024 341 S CB -0.504 62.710 63.200 0.023 0.000 0.861 341 S HN 2.108 nan 8.310 nan 0.000 0.456 342 V N -3.800 116.143 119.914 0.047 0.000 3.078 342 V HA 0.571 4.685 4.120 -0.011 0.000 0.311 342 V C -2.494 173.653 176.094 0.088 0.000 1.138 342 V CA -2.140 60.195 62.300 0.059 0.000 1.007 342 V CB 1.218 33.072 31.823 0.051 0.000 1.045 342 V HN -0.106 nan 8.190 nan 0.000 0.432 343 P HA 0.197 nan 4.420 nan 0.000 0.215 343 P C 0.295 177.743 177.300 0.248 0.000 1.153 343 P CA 2.241 65.437 63.100 0.161 0.000 0.853 343 P CB 0.167 31.957 31.700 0.149 0.000 0.788 344 A N -2.026 120.890 122.820 0.161 0.000 2.608 344 A HA 0.657 4.971 4.320 -0.011 0.000 0.292 344 A C -1.887 175.682 177.584 -0.026 0.000 1.066 344 A CA -0.535 51.519 52.037 0.027 0.000 0.676 344 A CB 0.513 19.510 19.000 -0.004 0.000 1.277 344 A HN -0.048 nan 8.150 nan 0.000 0.413 345 L N 1.092 122.208 121.223 -0.178 0.000 2.365 345 L HA 0.574 4.908 4.340 -0.011 0.000 0.273 345 L C -1.158 175.566 176.870 -0.244 0.000 1.000 345 L CA -0.679 54.100 54.840 -0.102 0.000 0.819 345 L CB 2.243 44.247 42.059 -0.093 0.000 1.284 345 L HN 0.843 nan 8.230 nan 0.000 0.418 346 H N 1.364 120.377 119.070 -0.096 0.000 2.551 346 H HA 0.725 5.273 4.556 -0.015 0.000 0.321 346 H C 0.170 175.443 175.328 -0.092 0.000 1.028 346 H CA -0.174 55.817 56.048 -0.096 0.000 1.215 346 H CB 1.865 31.569 29.762 -0.097 0.000 1.414 346 H HN 0.742 nan 8.280 nan 0.000 0.480 347 G N 0.747 109.528 108.800 -0.033 0.000 2.871 347 G HA2 0.457 4.411 3.960 -0.011 0.000 0.282 347 G HA3 0.457 4.411 3.960 -0.011 0.000 0.282 347 G C -0.238 174.534 174.900 -0.212 0.000 1.212 347 G CA -0.360 44.683 45.100 -0.095 0.000 0.812 347 G HN 0.632 nan 8.290 nan 0.000 0.547 348 G N 0.019 108.566 108.800 -0.422 0.000 4.716 348 G HA2 0.283 4.236 3.960 -0.011 0.000 0.282 348 G HA3 0.283 4.236 3.960 -0.011 0.000 0.282 348 G C 0.263 174.562 174.900 -1.002 0.000 1.173 348 G CA -0.168 44.298 45.100 -1.056 0.000 0.913 348 G HN 0.266 nan 8.290 nan 0.000 0.566 349 N N 0.871 119.212 118.700 -0.598 0.000 2.609 349 N HA -0.052 4.682 4.740 -0.011 0.000 0.190 349 N C 1.540 176.898 175.510 -0.253 0.000 1.157 349 N CA 0.370 53.221 53.050 -0.332 0.000 0.918 349 N CB -0.151 38.230 38.487 -0.177 0.000 0.978 349 N HN 0.636 nan 8.380 nan 0.000 0.448 350 F N -1.121 118.810 119.950 -0.032 0.000 2.780 350 F HA 0.308 4.838 4.527 0.004 0.000 0.299 350 F C 0.859 176.654 175.800 -0.008 0.000 1.146 350 F CA -0.723 57.263 58.000 -0.023 0.000 1.428 350 F CB -0.713 38.273 39.000 -0.024 0.000 1.115 350 F HN -0.165 nan 8.300 nan 0.000 0.583 351 M N 2.819 122.377 119.600 -0.069 0.000 2.435 351 M HA 0.327 4.801 4.480 -0.011 0.000 0.338 351 M C 0.996 177.335 176.300 0.066 0.000 1.628 351 M CA -0.646 54.692 55.300 0.064 0.000 1.215 351 M CB 0.067 32.624 32.600 -0.071 0.000 1.905 351 M HN 0.236 nan 8.290 nan 0.000 0.457 352 G N 3.482 112.341 108.800 0.099 0.000 3.452 352 G HA2 0.020 3.974 3.960 -0.011 0.000 0.258 352 G HA3 0.020 3.974 3.960 -0.011 0.000 0.258 352 G C 0.705 175.641 174.900 0.060 0.000 1.305 352 G CA -0.174 44.969 45.100 0.073 0.000 1.514 352 G HN 0.813 nan 8.290 nan 0.000 0.593 353 Q N -0.022 119.811 119.800 0.056 0.000 2.167 353 Q HA -0.093 4.241 4.340 -0.011 0.000 0.202 353 Q C 1.942 177.915 176.000 -0.046 0.000 0.970 353 Q CA 1.445 57.249 55.803 0.000 0.000 0.855 353 Q CB -0.111 28.605 28.738 -0.036 0.000 0.911 353 Q HN 0.718 nan 8.270 nan 0.000 0.438 354 H N -1.740 117.306 119.070 -0.040 0.000 2.321 354 H HA -0.060 4.486 4.556 -0.016 0.000 0.300 354 H C 1.803 177.050 175.328 -0.136 0.000 1.087 354 H CA 1.726 57.724 56.048 -0.083 0.000 1.319 354 H CB -0.023 29.678 29.762 -0.101 0.000 1.379 354 H HN 0.066 nan 8.280 nan 0.000 0.501 355 V N 0.493 120.411 119.914 0.007 0.000 2.515 355 V HA -0.208 3.906 4.120 -0.011 0.000 0.250 355 V C 2.472 178.551 176.094 -0.025 0.000 1.058 355 V CA 1.356 63.622 62.300 -0.057 0.000 1.064 355 V CB -0.880 30.922 31.823 -0.034 0.000 0.675 355 V HN 0.566 nan 8.190 nan 0.000 0.461 356 A N 0.103 122.923 122.820 0.000 0.000 1.858 356 A HA -0.160 4.153 4.320 -0.011 0.000 0.216 356 A C 2.192 179.787 177.584 0.019 0.000 1.190 356 A CA 1.826 53.873 52.037 0.018 0.000 0.617 356 A CB -0.533 18.480 19.000 0.022 0.000 0.827 356 A HN 0.483 nan 8.150 nan 0.000 0.443 357 L N -0.127 121.097 121.223 0.000 0.000 2.093 357 L HA -0.145 4.188 4.340 -0.011 0.000 0.208 357 L C 2.980 179.890 176.870 0.066 0.000 1.085 357 L CA 1.790 56.659 54.840 0.049 0.000 0.755 357 L CB -0.963 41.138 42.059 0.069 0.000 0.904 357 L HN 0.668 nan 8.230 nan 0.000 0.435 358 T N -4.534 109.958 114.554 -0.103 0.000 2.857 358 T HA -0.093 4.251 4.350 -0.011 0.000 0.266 358 T C 2.045 176.810 174.700 0.109 0.000 1.048 358 T CA 1.229 63.211 62.100 -0.197 0.000 1.139 358 T CB -0.250 68.282 68.868 -0.561 0.000 0.874 358 T HN 0.115 nan 8.240 nan 0.000 0.455 359 S N 1.667 117.431 115.700 0.107 0.000 2.368 359 S HA -0.109 4.355 4.470 -0.011 0.000 0.225 359 S C 1.869 176.531 174.600 0.105 0.000 1.030 359 S CA 1.299 59.590 58.200 0.151 0.000 0.999 359 S CB -0.576 62.688 63.200 0.108 0.000 0.844 359 S HN 0.521 nan 8.310 nan 0.000 0.459 360 D N 1.543 121.998 120.400 0.091 0.000 2.117 360 D HA 0.000 4.634 4.640 -0.011 0.000 0.197 360 D C 2.107 178.463 176.300 0.093 0.000 0.987 360 D CA 1.189 55.238 54.000 0.080 0.000 0.829 360 D CB -0.421 40.422 40.800 0.071 0.000 0.961 360 D HN 0.377 nan 8.370 nan 0.000 0.460 361 A N 0.635 123.544 122.820 0.149 0.000 1.898 361 A HA -0.124 4.189 4.320 -0.011 0.000 0.216 361 A C 2.129 179.791 177.584 0.131 0.000 1.181 361 A CA 0.907 53.055 52.037 0.185 0.000 0.620 361 A CB -0.638 18.602 19.000 0.400 0.000 0.819 361 A HN 0.244 nan 8.150 nan 0.000 0.442 362 L N -0.209 121.084 121.223 0.118 0.000 2.093 362 L HA -0.007 4.326 4.340 -0.011 0.000 0.208 362 L C 2.623 179.487 176.870 -0.010 0.000 1.085 362 L CA 2.038 56.895 54.840 0.029 0.000 0.755 362 L CB -0.854 41.150 42.059 -0.093 0.000 0.904 362 L HN 0.337 nan 8.230 nan 0.000 0.435 363 A N -1.473 121.354 122.820 0.011 0.000 1.908 363 A HA -0.219 4.094 4.320 -0.011 0.000 0.218 363 A C 2.262 179.825 177.584 -0.035 0.000 1.181 363 A CA 2.367 54.401 52.037 -0.005 0.000 0.627 363 A CB -1.220 17.794 19.000 0.022 0.000 0.818 363 A HN 0.509 nan 8.150 nan 0.000 0.445 364 T N 0.225 114.768 114.554 -0.017 0.000 2.746 364 T HA -0.007 4.337 4.350 -0.011 0.000 0.267 364 T C 2.223 176.873 174.700 -0.084 0.000 1.039 364 T CA 1.579 63.656 62.100 -0.037 0.000 1.142 364 T CB -0.446 68.416 68.868 -0.011 0.000 0.866 364 T HN 0.605 nan 8.240 nan 0.000 0.444 365 A N 0.900 123.672 122.820 -0.080 0.000 1.933 365 A HA -0.032 4.281 4.320 -0.011 0.000 0.218 365 A C 2.576 179.996 177.584 -0.273 0.000 1.175 365 A CA 1.205 53.163 52.037 -0.131 0.000 0.628 365 A CB -0.979 17.981 19.000 -0.066 0.000 0.814 365 A HN 0.352 nan 8.150 nan 0.000 0.444 366 V N -0.260 119.481 119.914 -0.287 0.000 2.343 366 V HA -0.219 3.894 4.120 -0.011 0.000 0.247 366 V C 2.739 178.509 176.094 -0.541 0.000 1.051 366 V CA 2.462 64.446 62.300 -0.527 0.000 1.036 366 V CB -1.124 30.560 31.823 -0.233 0.000 0.654 366 V HN 0.614 nan 8.190 nan 0.000 0.451 367 T N -0.270 114.115 114.554 -0.282 0.000 2.821 367 T HA -0.144 4.199 4.350 -0.011 0.000 0.267 367 T C 1.937 176.502 174.700 -0.225 0.000 1.046 367 T CA 1.509 63.485 62.100 -0.206 0.000 1.139 367 T CB -0.149 68.655 68.868 -0.106 0.000 0.871 367 T HN 0.277 nan 8.240 nan 0.000 0.454 368 V N 1.194 120.973 119.914 -0.225 0.000 2.295 368 V HA -0.097 4.017 4.120 -0.011 0.000 0.246 368 V C 2.381 178.332 176.094 -0.238 0.000 1.049 368 V CA 1.353 63.541 62.300 -0.187 0.000 1.024 368 V CB -0.537 31.192 31.823 -0.155 0.000 0.648 368 V HN 0.322 nan 8.190 nan 0.000 0.447 369 L N 0.264 121.249 121.223 -0.395 0.000 2.141 369 L HA -0.025 4.309 4.340 -0.011 0.000 0.209 369 L C 2.532 179.183 176.870 -0.364 0.000 1.094 369 L CA 1.982 56.582 54.840 -0.400 0.000 0.763 369 L CB -1.156 40.555 42.059 -0.579 0.000 0.908 369 L HN 0.281 nan 8.230 nan 0.000 0.437 370 A N -0.493 121.971 122.820 -0.592 0.000 1.930 370 A HA -0.066 4.248 4.320 -0.011 0.000 0.217 370 A C 2.432 179.988 177.584 -0.047 0.000 1.175 370 A CA 1.510 53.395 52.037 -0.254 0.000 0.627 370 A CB -1.239 17.632 19.000 -0.216 0.000 0.815 370 A HN 0.415 nan 8.150 nan 0.000 0.443 371 G N -0.111 108.635 108.800 -0.090 0.000 2.422 371 G HA2 -0.134 3.819 3.960 -0.011 0.000 0.218 371 G HA3 -0.134 3.819 3.960 -0.011 0.000 0.218 371 G C 1.479 176.381 174.900 0.002 0.000 1.146 371 G CA 1.188 46.270 45.100 -0.031 0.000 0.769 371 G HN 0.517 nan 8.290 nan 0.000 0.547 372 L N 1.377 122.596 121.223 -0.007 0.000 2.017 372 L HA 0.148 4.482 4.340 -0.011 0.000 0.208 372 L C 3.011 179.925 176.870 0.073 0.000 1.073 372 L CA 2.313 57.172 54.840 0.031 0.000 0.745 372 L CB -0.753 41.317 42.059 0.019 0.000 0.894 372 L HN 0.209 nan 8.230 nan 0.000 0.432 373 A N -0.867 122.022 122.820 0.114 0.000 1.902 373 A HA -0.224 4.090 4.320 -0.011 0.000 0.217 373 A C 2.328 179.972 177.584 0.100 0.000 1.181 373 A CA 1.691 53.815 52.037 0.144 0.000 0.623 373 A CB -0.783 18.364 19.000 0.246 0.000 0.818 373 A HN 0.593 nan 8.150 nan 0.000 0.443 374 E N -0.016 120.236 120.200 0.086 0.000 2.110 374 E HA -0.194 4.149 4.350 -0.011 0.000 0.193 374 E C 2.050 178.683 176.600 0.057 0.000 0.988 374 E CA 0.866 57.306 56.400 0.067 0.000 0.804 374 E CB -0.206 29.527 29.700 0.055 0.000 0.745 374 E HN 0.379 nan 8.360 nan 0.000 0.458 375 R N 0.313 120.844 120.500 0.052 0.000 2.115 375 R HA -0.027 4.307 4.340 -0.011 0.000 0.226 375 R C 2.372 178.701 176.300 0.050 0.000 1.100 375 R CA 0.772 56.900 56.100 0.046 0.000 0.980 375 R CB -0.370 29.956 30.300 0.042 0.000 0.875 375 R HN 0.394 nan 8.270 nan 0.000 0.445 376 Q N 0.089 119.924 119.800 0.059 0.000 2.079 376 Q HA -0.048 4.285 4.340 -0.011 0.000 0.200 376 Q C 2.185 178.209 176.000 0.041 0.000 0.974 376 Q CA 1.165 57.003 55.803 0.058 0.000 0.840 376 Q CB -0.100 28.683 28.738 0.074 0.000 0.898 376 Q HN 0.305 nan 8.270 nan 0.000 0.430 377 I N 0.636 121.230 120.570 0.041 0.000 2.179 377 I HA -0.264 3.899 4.170 -0.011 0.000 0.242 377 I C 2.434 178.578 176.117 0.045 0.000 1.088 377 I CA 0.951 62.269 61.300 0.030 0.000 1.357 377 I CB -0.442 37.581 38.000 0.039 0.000 1.051 377 I HN 0.151 nan 8.210 nan 0.000 0.409 378 A N 0.784 123.637 122.820 0.055 0.000 1.978 378 A HA -0.253 4.060 4.320 -0.011 0.000 0.220 378 A C 2.437 180.040 177.584 0.032 0.000 1.170 378 A CA 1.950 54.024 52.037 0.061 0.000 0.636 378 A CB -0.634 18.400 19.000 0.056 0.000 0.810 378 A HN 0.409 nan 8.150 nan 0.000 0.448 379 R N -0.942 119.570 120.500 0.021 0.000 2.062 379 R HA -0.018 4.315 4.340 -0.011 0.000 0.226 379 R C 2.032 178.323 176.300 -0.014 0.000 1.125 379 R CA 1.370 57.472 56.100 0.002 0.000 0.966 379 R CB -0.429 29.879 30.300 0.013 0.000 0.861 379 R HN 0.384 nan 8.270 nan 0.000 0.433 380 L N 1.302 122.520 121.223 -0.007 0.000 2.127 380 L HA -0.114 4.220 4.340 -0.011 0.000 0.211 380 L C 1.928 178.772 176.870 -0.044 0.000 1.089 380 L CA 2.447 57.273 54.840 -0.023 0.000 0.757 380 L CB -0.474 41.571 42.059 -0.024 0.000 0.899 380 L HN 0.465 nan 8.230 nan 0.000 0.434 381 T N -4.319 110.214 114.554 -0.036 0.000 3.107 381 T HA 0.041 4.384 4.350 -0.011 0.000 0.249 381 T C 0.699 175.215 174.700 -0.307 0.000 1.096 381 T CA -0.124 61.934 62.100 -0.071 0.000 1.012 381 T CB -0.456 68.491 68.868 0.132 0.000 0.977 381 T HN 0.250 nan 8.240 nan 0.000 0.527 382 D N 2.633 122.907 120.400 -0.210 0.000 2.347 382 D HA 0.079 4.712 4.640 -0.011 0.000 0.235 382 D C 1.327 177.507 176.300 -0.200 0.000 1.149 382 D CA -0.330 53.522 54.000 -0.248 0.000 0.850 382 D CB 1.255 41.990 40.800 -0.109 0.000 1.061 382 D HN 0.609 nan 8.370 nan 0.000 0.487 383 E N 3.400 123.452 120.200 -0.247 0.000 2.267 383 E HA -0.211 4.133 4.350 -0.011 0.000 0.197 383 E C 1.035 177.585 176.600 -0.084 0.000 0.998 383 E CA 0.801 57.117 56.400 -0.139 0.000 0.830 383 E CB 0.078 29.708 29.700 -0.116 0.000 0.751 383 E HN 0.378 nan 8.360 nan 0.000 0.491 384 R N 0.055 120.507 120.500 -0.079 0.000 2.240 384 R HA 0.151 4.485 4.340 -0.011 0.000 0.203 384 R C 1.828 178.102 176.300 -0.043 0.000 1.011 384 R CA 0.623 56.694 56.100 -0.048 0.000 1.007 384 R CB 0.150 30.427 30.300 -0.038 0.000 0.911 384 R HN 0.292 nan 8.270 nan 0.000 0.468 385 L N 0.321 121.513 121.223 -0.052 0.000 2.781 385 L HA 0.107 4.440 4.340 -0.011 0.000 0.245 385 L C 0.554 177.402 176.870 -0.037 0.000 1.118 385 L CA -0.076 54.741 54.840 -0.039 0.000 0.918 385 L CB 0.169 42.207 42.059 -0.035 0.000 1.246 385 L HN 0.126 nan 8.230 nan 0.000 0.526 386 N N 0.738 119.410 118.700 -0.047 0.000 2.322 386 N HA -0.018 4.716 4.740 -0.011 0.000 0.216 386 N C 0.048 175.540 175.510 -0.031 0.000 1.144 386 N CA -0.349 52.677 53.050 -0.039 0.000 0.830 386 N CB -0.132 38.324 38.487 -0.052 0.000 1.034 386 N HN 0.048 nan 8.380 nan 0.000 0.484 387 R N -0.354 120.130 120.500 -0.028 0.000 3.251 387 R HA -0.174 4.159 4.340 -0.011 0.000 0.249 387 R C 0.766 177.053 176.300 -0.021 0.000 0.949 387 R CA 0.531 56.618 56.100 -0.022 0.000 0.645 387 R CB -2.092 28.197 30.300 -0.019 0.000 1.065 387 R HN 0.637 nan 8.270 nan 0.000 0.452 388 G N -1.028 107.759 108.800 -0.023 0.000 2.176 388 G HA2 -0.299 3.654 3.960 -0.011 0.000 0.232 388 G HA3 -0.299 3.654 3.960 -0.011 0.000 0.232 388 G C 0.253 175.140 174.900 -0.021 0.000 0.986 388 G CA 0.058 45.147 45.100 -0.019 0.000 0.643 388 G HN 0.263 nan 8.290 nan 0.000 0.522 389 L N 1.445 122.651 121.223 -0.028 0.000 2.436 389 L HA 0.427 4.761 4.340 -0.011 0.000 0.265 389 L C -1.617 175.233 176.870 -0.034 0.000 1.168 389 L CA -2.044 52.778 54.840 -0.031 0.000 0.815 389 L CB 0.638 42.679 42.059 -0.030 0.000 1.109 389 L HN -0.097 nan 8.230 nan 0.000 0.462 390 P HA 0.039 nan 4.420 nan 0.000 0.267 390 P C -2.465 174.855 177.300 0.033 0.000 1.200 390 P CA -0.875 62.210 63.100 -0.025 0.000 0.772 390 P CB -0.172 31.389 31.700 -0.231 0.000 0.855 391 P HA -0.028 nan 4.420 nan 0.000 0.263 391 P C -0.216 177.132 177.300 0.080 0.000 1.195 391 P CA 0.370 63.415 63.100 -0.092 0.000 0.762 391 P CB -0.167 31.526 31.700 -0.012 0.000 0.799 392 F N 1.612 121.660 119.950 0.164 0.000 3.069 392 F HA -0.244 4.276 4.527 -0.011 0.000 0.285 392 F C 1.300 177.271 175.800 0.286 0.000 0.827 392 F CA 0.362 58.481 58.000 0.200 0.000 1.108 392 F CB -2.634 36.476 39.000 0.183 0.000 1.252 392 F HN 0.272 nan 8.300 nan 0.000 0.483 393 L N -1.683 119.698 121.223 0.264 0.000 3.737 393 L HA -0.312 4.021 4.340 -0.011 0.000 0.418 393 L C 1.305 178.331 176.870 0.259 0.000 1.216 393 L CA 1.018 55.991 54.840 0.222 0.000 0.915 393 L CB -1.946 40.252 42.059 0.231 0.000 1.834 393 L HN 0.700 nan 8.230 nan 0.000 0.943 394 H N 0.319 119.515 119.070 0.211 0.000 2.603 394 H HA 0.679 5.228 4.556 -0.011 0.000 0.370 394 H C 0.279 175.666 175.328 0.098 0.000 1.225 394 H CA -0.461 55.671 56.048 0.140 0.000 1.410 394 H CB 0.952 30.786 29.762 0.120 0.000 1.495 394 H HN 0.302 nan 8.280 nan 0.000 0.602 395 R N -0.253 120.275 120.500 0.046 0.000 2.912 395 R HA 0.480 4.813 4.340 -0.011 0.000 0.262 395 R C -0.374 176.037 176.300 0.185 0.000 1.057 395 R CA -0.276 55.822 56.100 -0.002 0.000 0.981 395 R CB 2.039 32.350 30.300 0.018 0.000 1.201 395 R HN 1.099 nan 8.270 nan 0.000 0.484 396 G N 1.222 110.100 108.800 0.129 0.000 2.828 396 G HA2 -0.180 3.774 3.960 -0.011 0.000 0.463 396 G HA3 -0.180 3.774 3.960 -0.011 0.000 0.463 396 G C -2.735 172.290 174.900 0.208 0.000 1.394 396 G CA -1.236 43.946 45.100 0.136 0.000 0.862 396 G HN 0.369 nan 8.290 nan 0.000 0.540 397 P HA 0.440 nan 4.420 nan 0.000 0.264 397 P C 0.431 177.742 177.300 0.018 0.000 1.193 397 P CA 0.835 63.991 63.100 0.094 0.000 0.763 397 P CB 0.681 32.405 31.700 0.041 0.000 0.810 398 A N 3.356 126.162 122.820 -0.024 0.000 2.462 398 A HA 0.483 4.796 4.320 -0.011 0.000 0.243 398 A C 1.561 179.032 177.584 -0.187 0.000 1.076 398 A CA 0.842 52.660 52.037 -0.365 0.000 0.773 398 A CB -0.953 17.938 19.000 -0.181 0.000 1.010 398 A HN 0.809 nan 8.150 nan 0.000 0.493 399 G N 0.509 109.185 108.800 -0.206 0.000 3.079 399 G HA2 -0.292 3.661 3.960 -0.011 0.000 0.214 399 G HA3 -0.292 3.661 3.960 -0.011 0.000 0.214 399 G C 1.071 175.922 174.900 -0.083 0.000 1.335 399 G CA 0.441 45.483 45.100 -0.098 0.000 0.822 399 G HN 0.857 nan 8.290 nan 0.000 0.545 400 L N 1.119 122.301 121.223 -0.069 0.000 2.201 400 L HA 0.142 4.475 4.340 -0.011 0.000 0.212 400 L C 0.819 177.660 176.870 -0.049 0.000 1.105 400 L CA 0.928 55.742 54.840 -0.043 0.000 0.775 400 L CB -0.298 41.748 42.059 -0.021 0.000 0.913 400 L HN 0.322 nan 8.230 nan 0.000 0.440 401 N N -1.515 117.136 118.700 -0.081 0.000 2.238 401 N HA 0.220 4.954 4.740 -0.011 0.000 0.302 401 N C -0.113 175.329 175.510 -0.113 0.000 1.072 401 N CA -0.154 52.861 53.050 -0.059 0.000 0.792 401 N CB 2.162 40.670 38.487 0.035 0.000 1.425 401 N HN -0.232 nan 8.380 nan 0.000 0.478 402 S N -0.008 115.664 115.700 -0.047 0.000 2.603 402 S HA 0.263 4.726 4.470 -0.011 0.000 0.232 402 S C 1.212 175.863 174.600 0.084 0.000 1.016 402 S CA 0.076 58.263 58.200 -0.022 0.000 0.976 402 S CB 0.575 63.710 63.200 -0.109 0.000 0.921 402 S HN 0.943 nan 8.310 nan 0.000 0.516 403 G N 2.441 111.284 108.800 0.072 0.000 2.629 403 G HA2 -0.340 3.613 3.960 -0.011 0.000 0.313 403 G HA3 -0.340 3.613 3.960 -0.011 0.000 0.313 403 G C 0.205 175.020 174.900 -0.143 0.000 1.217 403 G CA 0.704 45.817 45.100 0.021 0.000 0.994 403 G HN 0.452 nan 8.290 nan 0.000 0.549 404 F N 1.375 121.411 119.950 0.144 0.000 2.663 404 F HA 0.469 4.989 4.527 -0.011 0.000 0.299 404 F C 2.385 178.217 175.800 0.052 0.000 1.143 404 F CA 0.929 58.988 58.000 0.099 0.000 1.387 404 F CB 0.139 39.214 39.000 0.124 0.000 1.019 404 F HN 0.332 nan 8.300 nan 0.000 0.523 405 M N 0.016 119.620 119.600 0.007 0.000 2.149 405 M HA -0.117 4.357 4.480 -0.011 0.000 0.261 405 M C 2.369 178.539 176.300 -0.216 0.000 1.064 405 M CA 2.218 57.253 55.300 -0.441 0.000 1.102 405 M CB -0.424 31.656 32.600 -0.867 0.000 1.369 405 M HN 0.307 nan 8.290 nan 0.000 0.408 406 G N -0.833 107.898 108.800 -0.115 0.000 2.394 406 G HA2 -0.084 3.869 3.960 -0.011 0.000 0.215 406 G HA3 -0.084 3.869 3.960 -0.011 0.000 0.215 406 G C 1.490 176.393 174.900 0.005 0.000 1.165 406 G CA 0.701 45.763 45.100 -0.064 0.000 0.784 406 G HN 0.609 nan 8.290 nan 0.000 0.535 407 A N 0.022 122.881 122.820 0.066 0.000 1.940 407 A HA -0.109 4.204 4.320 -0.011 0.000 0.219 407 A C 2.275 179.926 177.584 0.113 0.000 1.176 407 A CA 2.058 54.167 52.037 0.120 0.000 0.631 407 A CB -0.428 18.725 19.000 0.256 0.000 0.814 407 A HN 0.382 nan 8.150 nan 0.000 0.446 408 Q N 0.027 119.907 119.800 0.134 0.000 2.084 408 Q HA -0.118 4.215 4.340 -0.011 0.000 0.202 408 Q C 2.119 178.168 176.000 0.081 0.000 0.978 408 Q CA 2.030 57.910 55.803 0.128 0.000 0.844 408 Q CB -0.313 28.551 28.738 0.210 0.000 0.898 408 Q HN 0.422 nan 8.270 nan 0.000 0.426 409 V N 0.565 120.507 119.914 0.046 0.000 2.427 409 V HA -0.209 3.904 4.120 -0.011 0.000 0.248 409 V C 2.368 178.480 176.094 0.029 0.000 1.051 409 V CA 2.025 64.341 62.300 0.027 0.000 1.048 409 V CB -0.790 31.029 31.823 -0.006 0.000 0.666 409 V HN 0.392 nan 8.190 nan 0.000 0.456 410 T N 0.412 114.984 114.554 0.030 0.000 2.720 410 T HA -0.198 4.145 4.350 -0.011 0.000 0.268 410 T C 2.059 176.781 174.700 0.037 0.000 1.037 410 T CA 1.673 63.791 62.100 0.029 0.000 1.144 410 T CB -0.399 68.488 68.868 0.030 0.000 0.864 410 T HN 0.581 nan 8.240 nan 0.000 0.444 411 A N 1.152 124.001 122.820 0.048 0.000 1.908 411 A HA -0.142 4.172 4.320 -0.011 0.000 0.218 411 A C 2.556 180.169 177.584 0.048 0.000 1.181 411 A CA 2.159 54.226 52.037 0.051 0.000 0.627 411 A CB -1.233 17.802 19.000 0.058 0.000 0.818 411 A HN 0.482 nan 8.150 nan 0.000 0.445 412 T N 0.267 114.848 114.554 0.046 0.000 2.746 412 T HA -0.018 4.326 4.350 -0.011 0.000 0.267 412 T C 2.216 176.934 174.700 0.031 0.000 1.039 412 T CA 1.562 63.685 62.100 0.039 0.000 1.142 412 T CB -0.444 68.447 68.868 0.039 0.000 0.866 412 T HN 0.607 nan 8.240 nan 0.000 0.444 413 A N 1.231 124.068 122.820 0.028 0.000 1.902 413 A HA 0.013 4.326 4.320 -0.011 0.000 0.217 413 A C 2.297 179.896 177.584 0.025 0.000 1.181 413 A CA 1.180 53.231 52.037 0.023 0.000 0.623 413 A CB -0.816 18.195 19.000 0.019 0.000 0.818 413 A HN 0.479 nan 8.150 nan 0.000 0.443 414 L N -1.167 120.076 121.223 0.032 0.000 2.046 414 L HA -0.157 4.176 4.340 -0.011 0.000 0.208 414 L C 2.565 179.458 176.870 0.037 0.000 1.077 414 L CA 1.181 56.044 54.840 0.037 0.000 0.747 414 L CB -0.563 41.524 42.059 0.046 0.000 0.896 414 L HN 0.473 nan 8.230 nan 0.000 0.432 415 L N 0.318 121.563 121.223 0.036 0.000 2.017 415 L HA -0.121 4.212 4.340 -0.011 0.000 0.208 415 L C 2.660 179.540 176.870 0.016 0.000 1.073 415 L CA 1.993 56.849 54.840 0.026 0.000 0.745 415 L CB -0.720 41.354 42.059 0.025 0.000 0.894 415 L HN 0.132 nan 8.230 nan 0.000 0.432 416 A N -0.816 122.015 122.820 0.017 0.000 1.940 416 A HA -0.296 4.017 4.320 -0.011 0.000 0.219 416 A C 2.337 179.929 177.584 0.013 0.000 1.176 416 A CA 1.961 54.006 52.037 0.013 0.000 0.631 416 A CB -0.779 18.229 19.000 0.014 0.000 0.814 416 A HN 0.655 nan 8.150 nan 0.000 0.446 417 E N -0.680 119.530 120.200 0.016 0.000 2.106 417 E HA -0.172 4.172 4.350 -0.011 0.000 0.192 417 E C 2.033 178.643 176.600 0.017 0.000 0.984 417 E CA 1.228 57.638 56.400 0.017 0.000 0.806 417 E CB -0.200 29.512 29.700 0.020 0.000 0.750 417 E HN 0.681 nan 8.360 nan 0.000 0.458 418 M N 0.016 119.627 119.600 0.018 0.000 2.108 418 M HA -0.168 4.306 4.480 -0.011 0.000 0.261 418 M C 2.307 178.611 176.300 0.006 0.000 1.066 418 M CA 1.539 56.848 55.300 0.014 0.000 1.107 418 M CB -0.190 32.415 32.600 0.008 0.000 1.356 418 M HN 0.013 nan 8.290 nan 0.000 0.406 419 R N 0.115 120.617 120.500 0.003 0.000 2.189 419 R HA -0.032 4.301 4.340 -0.011 0.000 0.223 419 R C 2.219 178.523 176.300 0.008 0.000 1.092 419 R CA 1.098 57.199 56.100 0.001 0.000 0.989 419 R CB -0.443 29.856 30.300 -0.001 0.000 0.876 419 R HN 0.379 nan 8.270 nan 0.000 0.457 420 A N 0.569 123.395 122.820 0.011 0.000 2.067 420 A HA -0.034 4.279 4.320 -0.011 0.000 0.219 420 A C 0.853 178.447 177.584 0.017 0.000 1.158 420 A CA 0.942 52.987 52.037 0.013 0.000 0.661 420 A CB 0.063 19.070 19.000 0.011 0.000 0.801 420 A HN 0.113 nan 8.150 nan 0.000 0.452 421 T N 0.130 114.695 114.554 0.019 0.000 2.795 421 T HA 0.549 4.893 4.350 -0.011 0.000 0.282 421 T C 0.450 175.172 174.700 0.035 0.000 0.980 421 T CA 0.054 62.170 62.100 0.027 0.000 1.012 421 T CB 1.542 70.425 68.868 0.025 0.000 0.936 421 T HN 0.377 nan 8.240 nan 0.000 0.457 422 G N 2.875 111.709 108.800 0.057 0.000 2.795 422 G HA2 0.670 4.624 3.960 -0.011 0.000 0.267 422 G HA3 0.670 4.624 3.960 -0.011 0.000 0.267 422 G C -2.660 172.288 174.900 0.081 0.000 1.362 422 G CA -1.620 43.518 45.100 0.063 0.000 1.048 422 G HN 0.439 nan 8.290 nan 0.000 0.547 423 P HA 0.252 nan 4.420 nan 0.000 0.266 423 P C 0.333 177.702 177.300 0.116 0.000 1.195 423 P CA 0.387 63.527 63.100 0.065 0.000 0.768 423 P CB 1.310 33.025 31.700 0.026 0.000 0.838 424 A N 2.038 124.926 122.820 0.114 0.000 1.984 424 A HA -0.040 4.274 4.320 -0.011 0.000 0.214 424 A C 2.057 179.721 177.584 0.134 0.000 1.173 424 A CA 1.007 53.149 52.037 0.175 0.000 0.673 424 A CB -0.997 18.072 19.000 0.114 0.000 0.830 424 A HN 0.474 nan 8.150 nan 0.000 0.453 425 S N 0.580 116.310 115.700 0.051 0.000 2.419 425 S HA -0.178 4.286 4.470 -0.011 0.000 0.235 425 S C 1.663 176.233 174.600 -0.050 0.000 1.019 425 S CA 1.545 59.753 58.200 0.013 0.000 0.982 425 S CB -0.685 62.521 63.200 0.010 0.000 0.789 425 S HN 0.795 nan 8.310 nan 0.000 0.490 426 I N -1.368 119.101 120.570 -0.169 0.000 3.444 426 I HA 0.070 4.234 4.170 -0.011 0.000 0.287 426 I C 0.671 176.558 176.117 -0.383 0.000 1.302 426 I CA 0.910 62.039 61.300 -0.285 0.000 1.368 426 I CB -0.320 37.464 38.000 -0.360 0.000 1.048 426 I HN 0.161 nan 8.210 nan 0.000 0.487 427 H N 1.146 120.226 119.070 0.017 0.000 2.524 427 H HA 0.308 4.859 4.556 -0.009 0.000 0.299 427 H C 0.616 175.955 175.328 0.019 0.000 1.074 427 H CA -0.229 55.829 56.048 0.017 0.000 1.115 427 H CB 0.148 29.920 29.762 0.017 0.000 1.522 427 H HN 0.305 nan 8.280 nan 0.000 0.543 428 S N 1.301 117.044 115.700 0.071 0.000 2.546 428 S HA 0.171 4.634 4.470 -0.011 0.000 0.290 428 S C 0.283 174.920 174.600 0.061 0.000 1.290 428 S CA -0.206 58.031 58.200 0.061 0.000 1.069 428 S CB -0.058 63.164 63.200 0.036 0.000 0.846 428 S HN 0.291 nan 8.310 nan 0.000 0.495 429 I N 3.533 124.138 120.570 0.059 0.000 2.533 429 I HA 0.222 4.385 4.170 -0.011 0.000 0.290 429 I C 0.121 176.263 176.117 0.043 0.000 1.056 429 I CA -0.650 60.680 61.300 0.050 0.000 1.057 429 I CB 2.101 40.131 38.000 0.050 0.000 1.240 429 I HN 0.577 nan 8.210 nan 0.000 0.423 430 S N 4.037 119.760 115.700 0.037 0.000 2.525 430 S HA 0.229 4.692 4.470 -0.011 0.000 0.285 430 S C -0.181 174.440 174.600 0.034 0.000 1.283 430 S CA 0.427 58.648 58.200 0.035 0.000 1.072 430 S CB 0.238 63.456 63.200 0.030 0.000 0.867 430 S HN 0.772 nan 8.310 nan 0.000 0.492 431 T N 3.130 117.706 114.554 0.037 0.000 2.654 431 T HA 0.417 4.761 4.350 -0.011 0.000 0.289 431 T C -0.360 174.361 174.700 0.036 0.000 1.062 431 T CA -0.121 62.000 62.100 0.035 0.000 1.041 431 T CB 0.800 69.689 68.868 0.036 0.000 1.417 431 T HN 0.918 nan 8.240 nan 0.000 0.510 432 N N 0.628 119.350 118.700 0.036 0.000 2.727 432 N HA -0.225 4.508 4.740 -0.011 0.000 0.251 432 N C 0.303 175.835 175.510 0.037 0.000 1.040 432 N CA 0.767 53.840 53.050 0.039 0.000 0.712 432 N CB -1.168 37.346 38.487 0.044 0.000 0.912 432 N HN 1.521 nan 8.380 nan 0.000 0.545 433 A N -0.373 122.466 122.820 0.031 0.000 2.783 433 A HA 0.002 4.315 4.320 -0.011 0.000 0.292 433 A C 1.325 178.926 177.584 0.028 0.000 1.495 433 A CA 2.067 54.120 52.037 0.027 0.000 0.787 433 A CB -2.287 16.729 19.000 0.026 0.000 1.017 433 A HN 2.291 nan 8.150 nan 0.000 0.516 434 A N -2.452 120.386 122.820 0.030 0.000 3.396 434 A HA -0.355 3.958 4.320 -0.011 0.000 0.267 434 A C 1.382 178.986 177.584 0.034 0.000 1.139 434 A CA 2.011 54.066 52.037 0.030 0.000 1.115 434 A CB -2.537 16.478 19.000 0.025 0.000 1.133 434 A HN 2.226 nan 8.150 nan 0.000 0.920 435 N N 0.073 118.796 118.700 0.038 0.000 2.142 435 N HA -0.096 4.638 4.740 -0.011 0.000 0.186 435 N C 1.001 176.541 175.510 0.050 0.000 1.023 435 N CA 1.873 54.949 53.050 0.044 0.000 0.852 435 N CB -0.174 38.342 38.487 0.049 0.000 0.998 435 N HN 0.752 nan 8.380 nan 0.000 0.424 436 Q N 0.609 120.439 119.800 0.050 0.000 3.091 436 Q HA 0.065 4.398 4.340 -0.011 0.000 0.301 436 Q C -0.425 175.607 176.000 0.053 0.000 1.337 436 Q CA -0.252 55.587 55.803 0.060 0.000 1.083 436 Q CB 0.478 29.248 28.738 0.052 0.000 1.477 436 Q HN 0.512 nan 8.270 nan 0.000 0.537 437 D N -0.410 120.019 120.400 0.048 0.000 2.378 437 D HA -0.078 4.556 4.640 -0.011 0.000 0.222 437 D C 0.637 176.961 176.300 0.040 0.000 0.980 437 D CA 0.392 54.416 54.000 0.039 0.000 0.907 437 D CB 0.074 40.893 40.800 0.032 0.000 0.899 437 D HN 0.204 nan 8.370 nan 0.000 0.527 438 V N -2.028 117.915 119.914 0.048 0.000 2.808 438 V HA 0.748 4.862 4.120 -0.011 0.000 0.308 438 V C -0.464 175.667 176.094 0.062 0.000 1.099 438 V CA -1.177 61.150 62.300 0.046 0.000 0.920 438 V CB 1.887 33.731 31.823 0.035 0.000 1.014 438 V HN 0.096 nan 8.190 nan 0.000 0.425 439 V N 0.965 120.915 119.914 0.059 0.000 3.007 439 V HA 0.793 4.907 4.120 -0.011 0.000 0.311 439 V C 1.034 177.165 176.094 0.061 0.000 1.120 439 V CA 0.247 62.589 62.300 0.070 0.000 0.980 439 V CB 1.412 33.274 31.823 0.065 0.000 1.033 439 V HN 1.330 nan 8.190 nan 0.000 0.429 440 S N 2.066 117.806 115.700 0.067 0.000 2.406 440 S HA 0.120 4.583 4.470 -0.011 0.000 0.224 440 S C 1.114 175.745 174.600 0.052 0.000 1.030 440 S CA 1.040 59.272 58.200 0.053 0.000 0.958 440 S CB -0.810 62.425 63.200 0.057 0.000 0.811 440 S HN 1.388 nan 8.310 nan 0.000 0.489 441 L N 0.461 121.719 121.223 0.058 0.000 4.040 441 L HA -0.190 4.144 4.340 -0.011 0.000 0.410 441 L C 1.473 178.375 176.870 0.053 0.000 1.187 441 L CA 0.011 54.886 54.840 0.058 0.000 0.956 441 L CB -2.288 39.814 42.059 0.073 0.000 2.022 441 L HN 0.535 nan 8.230 nan 0.000 0.897 442 G N -0.433 108.396 108.800 0.048 0.000 2.432 442 G HA2 -0.191 3.763 3.960 -0.011 0.000 0.219 442 G HA3 -0.191 3.763 3.960 -0.011 0.000 0.219 442 G C 1.274 176.199 174.900 0.041 0.000 1.135 442 G CA 1.367 46.492 45.100 0.042 0.000 0.767 442 G HN 0.466 nan 8.290 nan 0.000 0.550 443 T N 1.315 115.892 114.554 0.038 0.000 2.777 443 T HA -0.016 4.328 4.350 -0.011 0.000 0.266 443 T C 2.373 177.094 174.700 0.035 0.000 1.040 443 T CA 0.891 63.011 62.100 0.032 0.000 1.141 443 T CB -0.106 68.777 68.868 0.025 0.000 0.868 443 T HN 0.267 nan 8.240 nan 0.000 0.444 444 I N 1.585 122.179 120.570 0.038 0.000 2.179 444 I HA -0.156 4.007 4.170 -0.011 0.000 0.242 444 I C 3.026 179.172 176.117 0.049 0.000 1.088 444 I CA 1.065 62.389 61.300 0.040 0.000 1.357 444 I CB -0.569 37.458 38.000 0.044 0.000 1.051 444 I HN 0.203 nan 8.210 nan 0.000 0.409 445 A N 0.912 123.765 122.820 0.055 0.000 1.892 445 A HA -0.248 4.065 4.320 -0.011 0.000 0.218 445 A C 2.544 180.165 177.584 0.062 0.000 1.188 445 A CA 2.216 54.290 52.037 0.060 0.000 0.631 445 A CB -0.975 18.061 19.000 0.059 0.000 0.822 445 A HN 0.450 nan 8.150 nan 0.000 0.447 446 A N -0.594 122.263 122.820 0.061 0.000 1.933 446 A HA -0.150 4.163 4.320 -0.011 0.000 0.218 446 A C 2.248 179.870 177.584 0.064 0.000 1.175 446 A CA 1.546 53.626 52.037 0.072 0.000 0.628 446 A CB -0.439 18.602 19.000 0.068 0.000 0.814 446 A HN 0.560 nan 8.150 nan 0.000 0.444 447 R N -0.577 119.954 120.500 0.051 0.000 2.092 447 R HA 0.027 4.360 4.340 -0.011 0.000 0.231 447 R C 1.946 178.274 176.300 0.047 0.000 1.119 447 R CA 1.274 57.402 56.100 0.045 0.000 0.970 447 R CB -0.411 29.909 30.300 0.034 0.000 0.864 447 R HN 0.510 nan 8.270 nan 0.000 0.440 448 L N -0.396 120.855 121.223 0.047 0.000 2.156 448 L HA -0.179 4.154 4.340 -0.011 0.000 0.208 448 L C 2.696 179.595 176.870 0.049 0.000 1.095 448 L CA 0.599 55.466 54.840 0.045 0.000 0.770 448 L CB -0.471 41.615 42.059 0.046 0.000 0.914 448 L HN 0.357 nan 8.230 nan 0.000 0.439 449 C N 0.376 119.708 119.300 0.054 0.000 2.440 449 C HA -0.132 4.322 4.460 -0.011 0.000 0.278 449 C C 3.094 178.123 174.990 0.065 0.000 1.295 449 C CA 0.752 59.802 59.018 0.053 0.000 1.738 449 C CB -0.500 27.272 27.740 0.054 0.000 1.987 449 C HN 0.496 nan 8.230 nan 0.000 0.492 450 R N 1.346 121.887 120.500 0.069 0.000 2.091 450 R HA -0.080 4.254 4.340 -0.011 0.000 0.238 450 R C 2.100 178.447 176.300 0.078 0.000 1.136 450 R CA 1.994 58.142 56.100 0.078 0.000 0.959 450 R CB -0.846 29.497 30.300 0.072 0.000 0.856 450 R HN 0.538 nan 8.270 nan 0.000 0.437 451 E N 0.737 120.975 120.200 0.065 0.000 2.077 451 E HA -0.177 4.167 4.350 -0.011 0.000 0.193 451 E C 1.862 178.506 176.600 0.073 0.000 0.989 451 E CA 1.371 57.808 56.400 0.061 0.000 0.800 451 E CB -0.119 29.609 29.700 0.046 0.000 0.746 451 E HN 0.434 nan 8.360 nan 0.000 0.452 452 K N 0.325 120.768 120.400 0.072 0.000 2.097 452 K HA -0.037 4.276 4.320 -0.011 0.000 0.205 452 K C 2.317 179.007 176.600 0.149 0.000 1.050 452 K CA 0.782 57.117 56.287 0.080 0.000 0.938 452 K CB -0.133 32.392 32.500 0.042 0.000 0.718 452 K HN 0.091 nan 8.250 nan 0.000 0.442 453 I N 1.481 122.152 120.570 0.168 0.000 2.226 453 I HA -0.289 3.874 4.170 -0.011 0.000 0.245 453 I C 1.621 177.860 176.117 0.203 0.000 1.100 453 I CA 1.209 62.663 61.300 0.256 0.000 1.374 453 I CB -0.243 37.872 38.000 0.193 0.000 1.057 453 I HN 0.143 nan 8.210 nan 0.000 0.413 454 D N 0.529 121.006 120.400 0.129 0.000 2.117 454 D HA -0.132 4.502 4.640 -0.011 0.000 0.197 454 D C 2.335 178.690 176.300 0.092 0.000 0.987 454 D CA 0.929 54.981 54.000 0.087 0.000 0.829 454 D CB -0.215 40.625 40.800 0.067 0.000 0.961 454 D HN 0.167 nan 8.370 nan 0.000 0.460 455 R N -0.086 120.484 120.500 0.116 0.000 2.092 455 R HA -0.117 4.216 4.340 -0.011 0.000 0.231 455 R C 2.133 178.543 176.300 0.184 0.000 1.119 455 R CA 0.476 56.645 56.100 0.115 0.000 0.970 455 R CB -1.044 29.313 30.300 0.096 0.000 0.864 455 R HN 0.350 nan 8.270 nan 0.000 0.440 456 W N 1.883 123.185 121.300 0.003 0.000 2.358 456 W HA -0.088 4.565 4.660 -0.011 0.000 0.303 456 W C 2.094 178.605 176.519 -0.013 0.000 1.208 456 W CA 1.363 58.710 57.345 0.004 0.000 1.274 456 W CB -0.623 28.847 29.460 0.016 0.000 1.138 456 W HN 0.137 nan 8.180 nan 0.000 0.515 457 A N 0.194 123.025 122.820 0.018 0.000 1.902 457 A HA -0.230 4.083 4.320 -0.011 0.000 0.217 457 A C 1.873 179.377 177.584 -0.133 0.000 1.181 457 A CA 1.990 53.923 52.037 -0.173 0.000 0.623 457 A CB -0.784 18.138 19.000 -0.130 0.000 0.818 457 A HN 0.451 nan 8.150 nan 0.000 0.443 458 E N -0.356 119.822 120.200 -0.037 0.000 2.072 458 E HA -0.105 4.238 4.350 -0.011 0.000 0.191 458 E C 1.851 178.438 176.600 -0.021 0.000 0.985 458 E CA 1.136 57.516 56.400 -0.034 0.000 0.801 458 E CB -0.255 29.448 29.700 0.005 0.000 0.750 458 E HN 0.697 nan 8.360 nan 0.000 0.452 459 I N 0.844 121.438 120.570 0.040 0.000 2.226 459 I HA -0.275 3.889 4.170 -0.011 0.000 0.245 459 I C 2.247 178.377 176.117 0.022 0.000 1.100 459 I CA 0.977 62.318 61.300 0.067 0.000 1.374 459 I CB -0.152 37.942 38.000 0.157 0.000 1.057 459 I HN 0.117 nan 8.210 nan 0.000 0.413 460 L N 0.406 121.614 121.223 -0.025 0.000 2.083 460 L HA -0.201 4.133 4.340 -0.011 0.000 0.209 460 L C 2.831 179.590 176.870 -0.185 0.000 1.083 460 L CA 1.238 56.015 54.840 -0.105 0.000 0.752 460 L CB -0.652 41.253 42.059 -0.256 0.000 0.899 460 L HN 0.246 nan 8.230 nan 0.000 0.433 461 A N 0.349 123.031 122.820 -0.231 0.000 1.902 461 A HA -0.197 4.116 4.320 -0.011 0.000 0.217 461 A C 2.203 179.667 177.584 -0.200 0.000 1.181 461 A CA 1.574 53.440 52.037 -0.285 0.000 0.623 461 A CB -0.655 18.187 19.000 -0.263 0.000 0.818 461 A HN 0.350 nan 8.150 nan 0.000 0.443 462 I N -0.848 119.655 120.570 -0.111 0.000 2.226 462 I HA -0.238 3.926 4.170 -0.011 0.000 0.245 462 I C 2.435 178.488 176.117 -0.105 0.000 1.100 462 I CA 1.280 62.543 61.300 -0.061 0.000 1.374 462 I CB -0.286 37.714 38.000 0.001 0.000 1.057 462 I HN 0.399 nan 8.210 nan 0.000 0.413 463 L N 1.208 122.382 121.223 -0.081 0.000 2.046 463 L HA -0.147 4.186 4.340 -0.011 0.000 0.208 463 L C 2.533 179.343 176.870 -0.100 0.000 1.077 463 L CA 2.120 56.916 54.840 -0.074 0.000 0.747 463 L CB -0.816 41.239 42.059 -0.006 0.000 0.896 463 L HN 0.183 nan 8.230 nan 0.000 0.432 464 A N -0.554 122.203 122.820 -0.106 0.000 1.902 464 A HA -0.155 4.159 4.320 -0.011 0.000 0.217 464 A C 2.264 179.776 177.584 -0.121 0.000 1.181 464 A CA 1.936 53.923 52.037 -0.084 0.000 0.623 464 A CB -0.861 18.047 19.000 -0.154 0.000 0.818 464 A HN 0.500 nan 8.150 nan 0.000 0.443 465 L N -0.932 120.185 121.223 -0.177 0.000 2.083 465 L HA -0.235 4.099 4.340 -0.011 0.000 0.209 465 L C 2.724 179.400 176.870 -0.324 0.000 1.083 465 L CA 1.182 55.940 54.840 -0.137 0.000 0.752 465 L CB -0.691 41.363 42.059 -0.009 0.000 0.899 465 L HN 0.487 nan 8.230 nan 0.000 0.433 466 C N -0.175 118.791 119.300 -0.557 0.000 2.429 466 C HA -0.139 4.314 4.460 -0.011 0.000 0.277 466 C C 2.750 177.527 174.990 -0.354 0.000 1.262 466 C CA 0.500 59.041 59.018 -0.794 0.000 1.733 466 C CB -0.734 26.670 27.740 -0.561 0.000 2.010 466 C HN 0.427 nan 8.230 nan 0.000 0.483 467 L N 0.893 122.006 121.223 -0.184 0.000 2.093 467 L HA -0.124 4.209 4.340 -0.011 0.000 0.208 467 L C 2.846 179.696 176.870 -0.034 0.000 1.085 467 L CA 1.417 56.213 54.840 -0.073 0.000 0.755 467 L CB -0.678 41.373 42.059 -0.014 0.000 0.904 467 L HN 0.337 nan 8.230 nan 0.000 0.435 468 A N -0.275 122.529 122.820 -0.026 0.000 1.877 468 A HA -0.301 4.013 4.320 -0.011 0.000 0.216 468 A C 2.220 179.826 177.584 0.037 0.000 1.186 468 A CA 2.031 54.084 52.037 0.028 0.000 0.620 468 A CB -0.537 18.496 19.000 0.055 0.000 0.822 468 A HN 0.425 nan 8.150 nan 0.000 0.443 469 Q N -0.411 119.407 119.800 0.029 0.000 2.046 469 Q HA -0.005 4.328 4.340 -0.011 0.000 0.200 469 Q C 2.081 178.104 176.000 0.038 0.000 0.975 469 Q CA 2.056 57.910 55.803 0.085 0.000 0.836 469 Q CB -0.505 28.357 28.738 0.207 0.000 0.896 469 Q HN 0.549 nan 8.270 nan 0.000 0.428 470 A N 0.457 123.269 122.820 -0.013 0.000 1.902 470 A HA -0.110 4.204 4.320 -0.011 0.000 0.217 470 A C 2.306 179.892 177.584 0.004 0.000 1.181 470 A CA 1.842 53.872 52.037 -0.011 0.000 0.623 470 A CB -1.242 17.737 19.000 -0.035 0.000 0.818 470 A HN 0.555 nan 8.150 nan 0.000 0.443 471 A N -0.080 122.747 122.820 0.011 0.000 1.902 471 A HA -0.194 4.119 4.320 -0.011 0.000 0.217 471 A C 1.923 179.520 177.584 0.022 0.000 1.181 471 A CA 1.714 53.763 52.037 0.020 0.000 0.623 471 A CB -0.547 18.470 19.000 0.028 0.000 0.818 471 A HN 0.656 nan 8.150 nan 0.000 0.443 472 E N -0.249 119.968 120.200 0.029 0.000 2.106 472 E HA -0.089 4.254 4.350 -0.011 0.000 0.192 472 E C 1.940 178.552 176.600 0.021 0.000 0.984 472 E CA 0.954 57.372 56.400 0.029 0.000 0.806 472 E CB -0.269 29.456 29.700 0.041 0.000 0.750 472 E HN 0.609 nan 8.360 nan 0.000 0.458 473 L N 0.486 121.720 121.223 0.018 0.000 2.093 473 L HA -0.160 4.174 4.340 -0.011 0.000 0.208 473 L C 2.649 179.519 176.870 -0.000 0.000 1.085 473 L CA 0.993 55.835 54.840 0.004 0.000 0.755 473 L CB -0.152 41.905 42.059 -0.003 0.000 0.904 473 L HN 0.014 nan 8.230 nan 0.000 0.435 474 R N -0.502 119.999 120.500 0.003 0.000 2.100 474 R HA -0.035 4.298 4.340 -0.011 0.000 0.220 474 R C 1.735 178.039 176.300 0.005 0.000 1.091 474 R CA 1.494 57.595 56.100 0.002 0.000 0.986 474 R CB -0.307 29.994 30.300 0.002 0.000 0.888 474 R HN 0.344 nan 8.270 nan 0.000 0.444 475 C N 0.034 119.340 119.300 0.010 0.000 3.183 475 C HA 0.649 5.103 4.460 -0.011 0.000 0.285 475 C C 0.607 175.605 174.990 0.013 0.000 1.313 475 C CA -0.285 58.740 59.018 0.012 0.000 1.711 475 C CB -0.644 27.105 27.740 0.015 0.000 2.135 475 C HN 0.733 nan 8.230 nan 0.000 0.651 476 G N 1.700 110.508 108.800 0.013 0.000 2.758 476 G HA2 -0.150 3.803 3.960 -0.011 0.000 0.686 476 G HA3 -0.150 3.803 3.960 -0.011 0.000 0.686 476 G C 0.730 175.641 174.900 0.019 0.000 1.389 476 G CA 0.098 45.206 45.100 0.014 0.000 0.845 476 G HN 0.784 nan 8.290 nan 0.000 0.572 477 S N -0.737 114.974 115.700 0.019 0.000 2.419 477 S HA 0.024 4.487 4.470 -0.011 0.000 0.235 477 S C 2.364 176.978 174.600 0.023 0.000 1.019 477 S CA 1.969 60.182 58.200 0.023 0.000 0.982 477 S CB -0.232 62.981 63.200 0.022 0.000 0.789 477 S HN 2.194 nan 8.310 nan 0.000 0.490 478 G N 0.730 109.541 108.800 0.019 0.000 2.920 478 G HA2 0.379 4.332 3.960 -0.011 0.000 0.208 478 G HA3 0.379 4.332 3.960 -0.011 0.000 0.208 478 G C 0.521 175.433 174.900 0.019 0.000 1.159 478 G CA -0.135 44.976 45.100 0.018 0.000 0.784 478 G HN 0.602 nan 8.290 nan 0.000 0.535 479 L N 0.970 122.205 121.223 0.021 0.000 3.660 479 L HA -0.147 4.187 4.340 -0.011 0.000 0.440 479 L C -0.881 176.001 176.870 0.019 0.000 1.262 479 L CA -0.110 54.744 54.840 0.022 0.000 0.837 479 L CB -1.672 40.402 42.059 0.026 0.000 1.689 479 L HN 0.206 nan 8.230 nan 0.000 0.890 480 D N 1.443 121.852 120.400 0.016 0.000 2.434 480 D HA 0.294 4.928 4.640 -0.011 0.000 0.252 480 D C 1.363 177.672 176.300 0.014 0.000 1.185 480 D CA 1.387 55.396 54.000 0.014 0.000 0.886 480 D CB 1.296 42.103 40.800 0.012 0.000 1.148 480 D HN 0.549 nan 8.370 nan 0.000 0.483 481 G N 1.454 110.263 108.800 0.014 0.000 2.217 481 G HA2 -0.275 3.678 3.960 -0.011 0.000 0.246 481 G HA3 -0.275 3.678 3.960 -0.011 0.000 0.246 481 G C 0.460 175.371 174.900 0.018 0.000 0.990 481 G CA 0.048 45.157 45.100 0.015 0.000 0.627 481 G HN 0.518 nan 8.290 nan 0.000 0.522 482 V N 2.625 122.551 119.914 0.020 0.000 2.715 482 V HA 0.495 4.609 4.120 -0.011 0.000 0.299 482 V C 1.507 177.615 176.094 0.024 0.000 1.054 482 V CA 0.200 62.515 62.300 0.025 0.000 1.077 482 V CB 1.415 33.255 31.823 0.027 0.000 0.972 482 V HN 1.076 nan 8.190 nan 0.000 0.484 483 S N 4.836 120.553 115.700 0.029 0.000 2.576 483 S HA 0.124 4.587 4.470 -0.011 0.000 0.272 483 S C -1.740 172.873 174.600 0.021 0.000 1.352 483 S CA -0.615 57.601 58.200 0.027 0.000 1.021 483 S CB 0.468 63.689 63.200 0.035 0.000 0.887 483 S HN 0.577 nan 8.310 nan 0.000 0.542 484 P HA -0.044 nan 4.420 nan 0.000 0.215 484 P C 1.651 178.956 177.300 0.009 0.000 1.153 484 P CA 1.919 65.026 63.100 0.012 0.000 0.853 484 P CB -0.245 31.460 31.700 0.008 0.000 0.788 485 A N -0.210 122.613 122.820 0.005 0.000 1.877 485 A HA -0.086 4.227 4.320 -0.011 0.000 0.216 485 A C 2.495 180.079 177.584 -0.000 0.000 1.186 485 A CA 2.117 54.150 52.037 -0.007 0.000 0.620 485 A CB -1.901 17.090 19.000 -0.015 0.000 0.822 485 A HN 0.267 nan 8.150 nan 0.000 0.443 486 G N -0.370 108.440 108.800 0.016 0.000 2.418 486 G HA2 -0.241 3.713 3.960 -0.011 0.000 0.217 486 G HA3 -0.241 3.713 3.960 -0.011 0.000 0.217 486 G C 1.688 176.607 174.900 0.032 0.000 1.158 486 G CA 1.159 46.276 45.100 0.028 0.000 0.771 486 G HN 0.570 nan 8.290 nan 0.000 0.545 487 K N 0.201 120.618 120.400 0.028 0.000 2.032 487 K HA -0.080 4.234 4.320 -0.011 0.000 0.209 487 K C 2.457 179.077 176.600 0.032 0.000 1.048 487 K CA 1.388 57.693 56.287 0.030 0.000 0.927 487 K CB -0.156 32.359 32.500 0.024 0.000 0.712 487 K HN 0.261 nan 8.250 nan 0.000 0.441 488 K N 1.357 121.771 120.400 0.024 0.000 2.097 488 K HA -0.143 4.170 4.320 -0.011 0.000 0.206 488 K C 2.156 178.778 176.600 0.038 0.000 1.049 488 K CA 1.029 57.330 56.287 0.024 0.000 0.933 488 K CB -0.085 32.420 32.500 0.009 0.000 0.717 488 K HN 0.123 nan 8.250 nan 0.000 0.442 489 L N 0.608 121.851 121.223 0.034 0.000 2.027 489 L HA -0.154 4.179 4.340 -0.011 0.000 0.206 489 L C 2.040 178.976 176.870 0.110 0.000 1.074 489 L CA 1.053 55.931 54.840 0.065 0.000 0.745 489 L CB -0.124 41.958 42.059 0.039 0.000 0.898 489 L HN 0.009 nan 8.230 nan 0.000 0.433 490 V N -0.011 119.955 119.914 0.086 0.000 2.358 490 V HA -0.299 3.814 4.120 -0.011 0.000 0.246 490 V C 2.470 178.617 176.094 0.088 0.000 1.047 490 V CA 1.988 64.342 62.300 0.089 0.000 1.035 490 V CB -0.647 31.216 31.823 0.068 0.000 0.658 490 V HN 0.546 nan 8.190 nan 0.000 0.452 491 Q N -0.043 119.798 119.800 0.070 0.000 2.084 491 Q HA -0.172 4.162 4.340 -0.011 0.000 0.202 491 Q C 2.425 178.467 176.000 0.070 0.000 0.978 491 Q CA 1.814 57.653 55.803 0.060 0.000 0.844 491 Q CB -0.443 28.321 28.738 0.044 0.000 0.898 491 Q HN 0.676 nan 8.270 nan 0.000 0.426 492 A N 0.799 123.669 122.820 0.084 0.000 1.902 492 A HA -0.152 4.162 4.320 -0.011 0.000 0.217 492 A C 2.060 179.716 177.584 0.120 0.000 1.181 492 A CA 1.037 53.131 52.037 0.095 0.000 0.623 492 A CB -0.641 18.431 19.000 0.119 0.000 0.818 492 A HN 0.291 nan 8.150 nan 0.000 0.443 493 L N -1.047 120.273 121.223 0.162 0.000 2.046 493 L HA -0.148 4.185 4.340 -0.011 0.000 0.208 493 L C 2.643 179.655 176.870 0.236 0.000 1.077 493 L CA 0.957 55.934 54.840 0.228 0.000 0.747 493 L CB -0.391 41.779 42.059 0.185 0.000 0.896 493 L HN 0.272 nan 8.230 nan 0.000 0.432 494 R N 0.248 120.835 120.500 0.146 0.000 2.285 494 R HA -0.125 4.208 4.340 -0.011 0.000 0.213 494 R C 1.837 178.165 176.300 0.047 0.000 1.068 494 R CA 0.670 56.834 56.100 0.106 0.000 1.004 494 R CB -0.347 30.000 30.300 0.080 0.000 0.873 494 R HN 0.538 nan 8.270 nan 0.000 0.467 495 E N 0.051 120.269 120.200 0.030 0.000 2.150 495 E HA -0.149 4.194 4.350 -0.011 0.000 0.193 495 E C 1.472 178.010 176.600 -0.103 0.000 0.985 495 E CA 0.858 57.244 56.400 -0.023 0.000 0.814 495 E CB 0.258 29.948 29.700 -0.016 0.000 0.752 495 E HN 0.219 nan 8.360 nan 0.000 0.466 496 Q N -1.231 118.460 119.800 -0.180 0.000 2.322 496 Q HA 0.135 4.468 4.340 -0.011 0.000 0.250 496 Q C -0.397 175.142 176.000 -0.768 0.000 0.853 496 Q CA 0.263 55.764 55.803 -0.504 0.000 0.951 496 Q CB 0.928 29.228 28.738 -0.730 0.000 1.114 496 Q HN 0.119 nan 8.270 nan 0.000 0.523 497 F N 2.039 121.980 119.950 -0.015 0.000 2.430 497 F HA 0.420 4.940 4.527 -0.011 0.000 0.362 497 F C -2.139 173.674 175.800 0.022 0.000 1.103 497 F CA -2.555 55.447 58.000 0.003 0.000 1.045 497 F CB 1.354 40.358 39.000 0.007 0.000 1.276 497 F HN -0.194 nan 8.300 nan 0.000 0.444 498 P HA 0.121 nan 4.420 nan 0.000 0.270 498 P C -2.332 175.040 177.300 0.120 0.000 1.223 498 P CA -0.908 62.244 63.100 0.087 0.000 0.785 498 P CB 0.016 31.741 31.700 0.041 0.000 0.923 499 P HA 0.049 nan 4.420 nan 0.000 0.271 499 P C -0.707 176.647 177.300 0.089 0.000 1.233 499 P CA -0.105 63.062 63.100 0.112 0.000 0.789 499 P CB 0.484 32.234 31.700 0.084 0.000 0.951 500 L N 1.906 123.188 121.223 0.098 0.000 2.358 500 L HA 0.170 4.504 4.340 -0.011 0.000 0.274 500 L C 1.281 178.163 176.870 0.020 0.000 1.136 500 L CA 0.388 55.234 54.840 0.010 0.000 0.970 500 L CB -0.653 41.330 42.059 -0.127 0.000 1.314 500 L HN 0.310 nan 8.230 nan 0.000 0.427 501 E N 1.076 121.288 120.200 0.019 0.000 2.230 501 E HA 0.017 4.360 4.350 -0.011 0.000 0.192 501 E C 0.179 176.792 176.600 0.022 0.000 0.987 501 E CA 0.579 56.993 56.400 0.024 0.000 0.841 501 E CB 0.402 30.115 29.700 0.022 0.000 0.783 501 E HN 0.589 nan 8.360 nan 0.000 0.481 502 T N 0.047 114.603 114.554 0.004 0.000 2.889 502 T HA 0.113 4.456 4.350 -0.011 0.000 0.315 502 T C -1.791 172.890 174.700 -0.031 0.000 1.291 502 T CA -1.004 61.098 62.100 0.002 0.000 1.028 502 T CB 1.326 70.196 68.868 0.004 0.000 1.235 502 T HN -0.225 nan 8.240 nan 0.000 0.491 503 D N 2.784 123.162 120.400 -0.038 0.000 2.525 503 D HA 0.316 4.950 4.640 -0.011 0.000 0.235 503 D C 0.584 176.843 176.300 -0.067 0.000 1.137 503 D CA 0.722 54.678 54.000 -0.073 0.000 0.868 503 D CB 0.352 41.115 40.800 -0.063 0.000 1.180 503 D HN 0.672 nan 8.370 nan 0.000 0.465 504 R N 0.533 120.980 120.500 -0.089 0.000 2.710 504 R HA 0.632 4.966 4.340 -0.011 0.000 0.270 504 R C -3.119 173.143 176.300 -0.063 0.000 1.021 504 R CA -1.720 54.343 56.100 -0.061 0.000 0.889 504 R CB 0.345 30.618 30.300 -0.045 0.000 1.243 504 R HN 0.004 nan 8.270 nan 0.000 0.464 505 P HA 0.123 nan 4.420 nan 0.000 0.267 505 P C -0.340 176.951 177.300 -0.016 0.000 1.205 505 P CA -0.200 62.884 63.100 -0.027 0.000 0.765 505 P CB 0.578 32.269 31.700 -0.015 0.000 0.828 506 L N 1.635 122.851 121.223 -0.012 0.000 2.731 506 L HA 0.190 4.523 4.340 -0.011 0.000 0.240 506 L C 2.274 179.165 176.870 0.034 0.000 1.120 506 L CA 0.347 55.197 54.840 0.016 0.000 0.913 506 L CB -0.243 41.821 42.059 0.009 0.000 1.213 506 L HN 0.523 nan 8.230 nan 0.000 0.515 507 G N 0.123 108.936 108.800 0.021 0.000 2.476 507 G HA2 -0.297 3.656 3.960 -0.011 0.000 0.218 507 G HA3 -0.297 3.656 3.960 -0.011 0.000 0.218 507 G C 1.399 176.319 174.900 0.033 0.000 1.164 507 G CA 0.707 45.821 45.100 0.023 0.000 0.768 507 G HN 0.356 nan 8.290 nan 0.000 0.560 508 Q N -0.129 119.694 119.800 0.039 0.000 2.084 508 Q HA -0.090 4.243 4.340 -0.011 0.000 0.202 508 Q C 2.556 178.613 176.000 0.095 0.000 0.978 508 Q CA 1.364 57.198 55.803 0.052 0.000 0.844 508 Q CB -0.114 28.649 28.738 0.041 0.000 0.898 508 Q HN 0.624 nan 8.270 nan 0.000 0.426 509 E N 0.459 120.737 120.200 0.130 0.000 2.072 509 E HA -0.161 4.183 4.350 -0.011 0.000 0.191 509 E C 1.968 178.620 176.600 0.087 0.000 0.985 509 E CA 0.798 57.352 56.400 0.256 0.000 0.801 509 E CB -0.045 29.838 29.700 0.305 0.000 0.750 509 E HN 0.342 nan 8.360 nan 0.000 0.452 510 I N 1.148 121.727 120.570 0.015 0.000 2.163 510 I HA -0.301 3.863 4.170 -0.011 0.000 0.243 510 I C 2.568 178.658 176.117 -0.046 0.000 1.085 510 I CA 1.075 62.344 61.300 -0.053 0.000 1.347 510 I CB -0.349 37.642 38.000 -0.014 0.000 1.044 510 I HN 0.098 nan 8.210 nan 0.000 0.408 511 A N 0.721 123.543 122.820 0.004 0.000 1.877 511 A HA -0.193 4.120 4.320 -0.011 0.000 0.216 511 A C 2.543 180.142 177.584 0.026 0.000 1.186 511 A CA 2.013 54.056 52.037 0.011 0.000 0.620 511 A CB -0.922 18.093 19.000 0.024 0.000 0.822 511 A HN 0.447 nan 8.150 nan 0.000 0.443 512 A N -0.650 122.217 122.820 0.078 0.000 1.877 512 A HA -0.037 4.277 4.320 -0.011 0.000 0.216 512 A C 2.142 179.809 177.584 0.139 0.000 1.186 512 A CA 1.784 53.903 52.037 0.136 0.000 0.620 512 A CB -0.638 18.500 19.000 0.229 0.000 0.822 512 A HN 0.684 nan 8.150 nan 0.000 0.443 513 L N -0.211 121.033 121.223 0.035 0.000 2.056 513 L HA -0.027 4.307 4.340 -0.011 0.000 0.207 513 L C 2.674 179.446 176.870 -0.163 0.000 1.078 513 L CA 2.090 56.825 54.840 -0.174 0.000 0.749 513 L CB -0.924 40.741 42.059 -0.656 0.000 0.901 513 L HN 0.355 nan 8.230 nan 0.000 0.433 514 A N -1.492 121.236 122.820 -0.153 0.000 1.908 514 A HA -0.252 4.062 4.320 -0.011 0.000 0.218 514 A C 2.276 179.798 177.584 -0.103 0.000 1.181 514 A CA 2.460 54.403 52.037 -0.156 0.000 0.627 514 A CB -1.292 17.650 19.000 -0.097 0.000 0.818 514 A HN 0.510 nan 8.150 nan 0.000 0.445 515 T N -1.494 113.044 114.554 -0.027 0.000 2.759 515 T HA -0.175 4.168 4.350 -0.011 0.000 0.269 515 T C 1.837 176.543 174.700 0.010 0.000 1.042 515 T CA 1.936 64.040 62.100 0.007 0.000 1.140 515 T CB -0.392 68.501 68.868 0.041 0.000 0.864 515 T HN 0.810 nan 8.240 nan 0.000 0.455 516 H N 1.066 120.091 119.070 -0.074 0.000 2.326 516 H HA 0.112 4.662 4.556 -0.011 0.000 0.301 516 H C 2.011 177.260 175.328 -0.132 0.000 1.081 516 H CA 1.213 57.221 56.048 -0.066 0.000 1.334 516 H CB -0.462 29.284 29.762 -0.026 0.000 1.385 516 H HN 0.240 nan 8.280 nan 0.000 0.504 517 L N -0.021 121.017 121.223 -0.308 0.000 2.079 517 L HA -0.179 4.154 4.340 -0.011 0.000 0.210 517 L C 2.341 179.060 176.870 -0.250 0.000 1.081 517 L CA 1.028 55.548 54.840 -0.534 0.000 0.752 517 L CB -0.529 41.010 42.059 -0.867 0.000 0.896 517 L HN 0.328 nan 8.230 nan 0.000 0.433 518 L N -0.790 120.321 121.223 -0.187 0.000 2.275 518 L HA -0.175 4.159 4.340 -0.011 0.000 0.215 518 L C 2.303 179.128 176.870 -0.075 0.000 1.119 518 L CA 1.067 55.859 54.840 -0.079 0.000 0.790 518 L CB -0.239 41.806 42.059 -0.023 0.000 0.919 518 L HN 0.379 nan 8.230 nan 0.000 0.443 519 Q N -1.545 118.118 119.800 -0.228 0.000 2.353 519 Q HA 0.178 4.511 4.340 -0.011 0.000 0.240 519 Q C 0.043 175.565 176.000 -0.796 0.000 0.868 519 Q CA 0.120 55.739 55.803 -0.308 0.000 0.944 519 Q CB 0.972 29.648 28.738 -0.103 0.000 1.104 519 Q HN 0.451 nan 8.270 nan 0.000 0.531 520 Q N -0.325 118.994 119.800 -0.802 0.000 2.421 520 Q HA 0.484 4.817 4.340 -0.011 0.000 0.280 520 Q C -1.275 174.607 176.000 -0.197 0.000 1.085 520 Q CA -0.446 54.976 55.803 -0.635 0.000 0.807 520 Q CB 2.717 31.209 28.738 -0.409 0.000 1.405 520 Q HN -0.077 nan 8.270 nan 0.000 0.419 521 S N 1.796 117.465 115.700 -0.052 0.000 2.638 521 S HA 0.536 4.999 4.470 -0.011 0.000 0.298 521 S C -2.402 171.977 174.600 -0.368 0.000 1.111 521 S CA -1.185 56.912 58.200 -0.171 0.000 1.027 521 S CB 1.055 64.209 63.200 -0.076 0.000 1.064 521 S HN 0.432 nan 8.310 nan 0.000 0.525 522 P HA 0.192 nan 4.420 nan 0.000 0.252 522 P C -0.413 176.684 177.300 -0.337 0.000 1.727 522 P CA -0.128 62.571 63.100 -0.668 0.000 1.134 522 P CB -0.358 30.664 31.700 -1.129 0.000 1.876 523 V N 0.000 119.805 119.914 -0.181 0.000 2.409 523 V HA 0.000 4.113 4.120 -0.011 0.000 0.244 523 V CA 0.000 62.232 62.300 -0.113 0.000 1.235 523 V CB 0.000 31.776 31.823 -0.079 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556