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 3it9_1_C DATA FIRST_RESID 7 DATA SEQUENCE EAPSVDARAW ILMDYASGKV LAEGNADEKL DPASLTKIMT SYVVGQALKA DATA SEQUENCE DKIKLTDMVT VGKDAWATGN PALRGSSVMF LKPGDQVSVA DLNKGVIIQS DATA SEQUENCE GNDACIALAD YVAGSQESFI GLMNGYAKKL GLTNTTFQTV HGLDAPGQFS DATA SEQUENCE TARDMALLGK ALIHDVPEEY AIHKEKEFTF NKIRQPNRNR LLWSSNLNVD DATA SEQUENCE GMKTGTTAGA GYNLVASATQ GDMRLISVVL GAKTDRIRFN ESEKLLTWGF DATA SEQUENCE RFFETVTPIK PDATFVTQRV WFGDKSEVNL GAGEAGSVTI PRGQLKNLKA DATA SEQUENCE SYTLTEPQLT APLKKGQVVG TIDFQLXGKS IEQRPLIVME NVEEGG 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.709 176.600 0.182 0.000 1.382 7 E CA 0.000 56.455 56.400 0.091 0.000 0.976 7 E CB 0.000 29.704 29.700 0.006 0.000 0.812 8 A N 5.228 128.101 122.820 0.088 0.000 2.477 8 A HA 0.462 4.781 4.320 -0.001 0.000 0.246 8 A C -1.984 175.438 177.584 -0.270 0.000 1.078 8 A CA -0.725 51.260 52.037 -0.087 0.000 0.770 8 A CB -0.100 18.886 19.000 -0.022 0.000 1.011 8 A HN 0.418 nan 8.150 nan 0.000 0.494 9 P HA 0.304 nan 4.420 nan 0.000 0.276 9 P C -0.646 176.440 177.300 -0.356 0.000 1.244 9 P CA -0.294 62.470 63.100 -0.560 0.000 0.801 9 P CB 1.019 32.167 31.700 -0.919 0.000 1.006 10 S N 0.206 115.733 115.700 -0.289 0.000 2.489 10 S HA 0.526 4.995 4.470 -0.001 0.000 0.291 10 S C -0.042 174.288 174.600 -0.450 0.000 1.151 10 S CA -0.724 57.309 58.200 -0.278 0.000 1.082 10 S CB 1.433 64.537 63.200 -0.160 0.000 1.019 10 S HN 0.537 nan 8.310 nan 0.000 0.492 11 V N 0.815 120.288 119.914 -0.735 0.000 2.709 11 V HA 0.579 4.698 4.120 -0.001 0.000 0.308 11 V C -1.445 174.272 176.094 -0.628 0.000 1.062 11 V CA -0.906 60.882 62.300 -0.853 0.000 0.901 11 V CB 2.124 33.153 31.823 -1.323 0.000 1.003 11 V HN 0.819 nan 8.190 nan 0.000 0.425 12 D N 4.723 124.921 120.400 -0.338 0.000 2.563 12 D HA 0.742 5.381 4.640 -0.001 0.000 0.222 12 D C -0.100 176.150 176.300 -0.083 0.000 1.145 12 D CA 0.890 54.795 54.000 -0.158 0.000 1.001 12 D CB 0.318 41.055 40.800 -0.105 0.000 1.049 12 D HN 1.237 nan 8.370 nan 0.000 0.515 13 A N 2.886 125.704 122.820 -0.003 0.000 2.544 13 A HA 0.353 4.672 4.320 -0.001 0.000 0.291 13 A C 0.777 178.520 177.584 0.264 0.000 1.055 13 A CA -0.719 51.387 52.037 0.115 0.000 0.651 13 A CB 0.953 20.017 19.000 0.106 0.000 1.296 13 A HN 0.216 nan 8.150 nan 0.000 0.431 14 R N -0.088 120.530 120.500 0.196 0.000 2.148 14 R HA 0.253 4.593 4.340 -0.001 0.000 0.227 14 R C 0.722 177.115 176.300 0.155 0.000 1.103 14 R CA 1.542 57.736 56.100 0.156 0.000 0.983 14 R CB -0.140 30.211 30.300 0.085 0.000 0.874 14 R HN 1.263 nan 8.270 nan 0.000 0.451 15 A N 0.245 123.207 122.820 0.237 0.000 2.608 15 A HA 0.564 4.883 4.320 -0.001 0.000 0.292 15 A C -2.024 175.759 177.584 0.332 0.000 1.066 15 A CA -0.840 51.255 52.037 0.097 0.000 0.676 15 A CB 0.843 19.823 19.000 -0.032 0.000 1.277 15 A HN 0.350 nan 8.150 nan 0.000 0.413 16 W N -0.358 120.933 121.300 -0.014 0.000 3.059 16 W HA 0.801 5.460 4.660 -0.001 0.000 0.329 16 W C -1.953 174.556 176.519 -0.016 0.000 1.246 16 W CA -0.727 56.611 57.345 -0.013 0.000 1.190 16 W CB 0.694 30.141 29.460 -0.022 0.000 1.423 16 W HN 0.889 nan 8.180 nan 0.000 0.571 17 I N 2.184 122.879 120.570 0.207 0.000 2.918 17 I HA 0.601 4.770 4.170 -0.001 0.000 0.301 17 I C -1.890 174.321 176.117 0.156 0.000 1.312 17 I CA -1.336 60.028 61.300 0.106 0.000 1.007 17 I CB 2.045 40.051 38.000 0.009 0.000 1.281 17 I HN 0.709 nan 8.210 nan 0.000 0.440 18 L N 7.418 128.716 121.223 0.125 0.000 2.409 18 L HA 0.644 4.983 4.340 -0.001 0.000 0.272 18 L C -1.530 175.362 176.870 0.035 0.000 0.980 18 L CA -0.575 54.323 54.840 0.097 0.000 0.826 18 L CB 1.778 43.931 42.059 0.156 0.000 1.268 18 L HN 0.724 nan 8.230 nan 0.000 0.407 19 M N 4.682 124.288 119.600 0.010 0.000 2.324 19 M HA 0.278 4.758 4.480 -0.001 0.000 0.288 19 M C -1.305 174.988 176.300 -0.012 0.000 1.097 19 M CA -0.580 54.713 55.300 -0.012 0.000 0.928 19 M CB 2.319 34.920 32.600 0.002 0.000 1.648 19 M HN 0.553 nan 8.290 nan 0.000 0.460 20 D N 2.894 123.273 120.400 -0.034 0.000 2.383 20 D HA -0.037 4.602 4.640 -0.001 0.000 0.252 20 D C 0.207 176.535 176.300 0.047 0.000 1.166 20 D CA 0.356 54.358 54.000 0.003 0.000 0.879 20 D CB 0.852 41.638 40.800 -0.024 0.000 1.164 20 D HN 0.716 nan 8.370 nan 0.000 0.462 21 Y N 4.686 124.973 120.300 -0.021 0.000 2.114 21 Y HA -0.201 4.349 4.550 -0.001 0.000 0.284 21 Y C 2.051 177.940 175.900 -0.018 0.000 1.143 21 Y CA 2.266 60.354 58.100 -0.020 0.000 1.135 21 Y CB -0.300 38.155 38.460 -0.009 0.000 0.980 21 Y HN 0.528 nan 8.280 nan 0.000 0.499 22 A N -0.597 122.220 122.820 -0.005 0.000 1.902 22 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 22 A C 2.364 179.859 177.584 -0.149 0.000 1.181 22 A CA 2.400 54.373 52.037 -0.108 0.000 0.623 22 A CB -1.120 17.905 19.000 0.042 0.000 0.818 22 A HN 0.598 nan 8.150 nan 0.000 0.443 23 S N -3.383 112.258 115.700 -0.098 0.000 2.506 23 S HA 0.412 4.882 4.470 -0.001 0.000 0.219 23 S C 1.517 176.066 174.600 -0.084 0.000 1.031 23 S CA 1.152 59.301 58.200 -0.086 0.000 0.911 23 S CB 0.172 63.327 63.200 -0.074 0.000 0.812 23 S HN 1.912 nan 8.310 nan 0.000 0.497 24 G N 1.449 110.192 108.800 -0.094 0.000 2.179 24 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.260 24 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.260 24 G C 0.061 174.929 174.900 -0.054 0.000 0.977 24 G CA 0.445 45.496 45.100 -0.081 0.000 0.641 24 G HN 0.826 nan 8.290 nan 0.000 0.533 25 K N 0.990 121.358 120.400 -0.053 0.000 2.451 25 K HA 0.430 4.750 4.320 -0.001 0.000 0.280 25 K C 0.623 177.185 176.600 -0.064 0.000 1.020 25 K CA -0.203 56.053 56.287 -0.053 0.000 1.008 25 K CB 0.680 33.143 32.500 -0.063 0.000 0.917 25 K HN 0.145 nan 8.250 nan 0.000 0.478 26 V N 7.855 127.739 119.914 -0.050 0.000 2.439 26 V HA 0.018 4.137 4.120 -0.001 0.000 0.271 26 V C 1.234 177.292 176.094 -0.060 0.000 1.040 26 V CA -0.029 62.245 62.300 -0.043 0.000 1.002 26 V CB 0.543 32.348 31.823 -0.030 0.000 1.000 26 V HN 0.815 nan 8.190 nan 0.000 0.477 27 L N 4.082 125.258 121.223 -0.078 0.000 2.341 27 L HA 0.416 4.755 4.340 -0.001 0.000 0.214 27 L C 0.883 177.829 176.870 0.127 0.000 1.115 27 L CA 0.862 55.625 54.840 -0.128 0.000 0.820 27 L CB 0.038 41.929 42.059 -0.280 0.000 0.944 27 L HN 0.802 nan 8.230 nan 0.000 0.452 28 A N 0.535 123.423 122.820 0.113 0.000 2.586 28 A HA 0.563 4.883 4.320 -0.001 0.000 0.296 28 A C -1.365 176.275 177.584 0.093 0.000 1.040 28 A CA -0.592 51.518 52.037 0.122 0.000 0.701 28 A CB 1.122 20.170 19.000 0.080 0.000 1.277 28 A HN 0.124 nan 8.150 nan 0.000 0.413 29 E N 0.755 120.960 120.200 0.010 0.000 2.378 29 E HA 0.596 4.946 4.350 -0.001 0.000 0.283 29 E C -0.560 175.617 176.600 -0.705 0.000 0.979 29 E CA -0.551 55.664 56.400 -0.308 0.000 0.795 29 E CB 1.738 31.309 29.700 -0.216 0.000 1.221 29 E HN 1.672 nan 8.360 nan 0.000 0.428 30 G N 2.150 109.927 108.800 -1.705 0.000 2.737 30 G HA2 0.431 4.391 3.960 -0.001 0.000 0.290 30 G HA3 0.431 4.391 3.960 -0.001 0.000 0.290 30 G C -0.342 173.896 174.900 -1.104 0.000 1.482 30 G CA -0.696 43.403 45.100 -1.668 0.000 1.017 30 G HN 0.529 nan 8.290 nan 0.000 0.529 31 N N -0.252 118.105 118.700 -0.571 0.000 2.780 31 N HA -0.193 4.546 4.740 -0.001 0.000 0.248 31 N C 1.319 176.665 175.510 -0.273 0.000 1.102 31 N CA 0.973 53.818 53.050 -0.341 0.000 0.697 31 N CB -1.021 37.297 38.487 -0.282 0.000 1.028 31 N HN 0.938 nan 8.380 nan 0.000 0.554 32 A N -0.778 121.879 122.820 -0.271 0.000 2.238 32 A HA 0.007 4.326 4.320 -0.001 0.000 0.208 32 A C 1.047 178.557 177.584 -0.123 0.000 1.177 32 A CA 0.807 52.724 52.037 -0.199 0.000 0.804 32 A CB 0.276 19.160 19.000 -0.194 0.000 0.823 32 A HN 0.243 nan 8.150 nan 0.000 0.482 33 D N -0.487 119.841 120.400 -0.119 0.000 2.571 33 D HA 0.087 4.726 4.640 -0.001 0.000 0.239 33 D C -0.150 176.097 176.300 -0.090 0.000 1.267 33 D CA -0.046 53.901 54.000 -0.088 0.000 0.823 33 D CB 0.350 41.102 40.800 -0.081 0.000 1.056 33 D HN 0.577 nan 8.370 nan 0.000 0.494 34 E N 1.820 121.963 120.200 -0.095 0.000 2.167 34 E HA 0.116 4.466 4.350 -0.001 0.000 0.284 34 E C -0.365 176.188 176.600 -0.078 0.000 1.016 34 E CA -0.472 55.872 56.400 -0.093 0.000 0.817 34 E CB 0.838 30.484 29.700 -0.091 0.000 1.080 34 E HN -0.121 nan 8.360 nan 0.000 0.397 35 K N 5.130 125.459 120.400 -0.117 0.000 2.378 35 K HA 0.221 4.540 4.320 -0.001 0.000 0.288 35 K C -0.221 176.346 176.600 -0.054 0.000 1.057 35 K CA 0.237 56.454 56.287 -0.118 0.000 0.971 35 K CB 0.446 32.709 32.500 -0.395 0.000 0.975 35 K HN 0.412 nan 8.250 nan 0.000 0.475 36 L N 1.037 122.277 121.223 0.029 0.000 2.303 36 L HA 0.297 4.636 4.340 -0.001 0.000 0.256 36 L C -0.251 176.670 176.870 0.085 0.000 1.034 36 L CA -1.300 53.566 54.840 0.042 0.000 0.832 36 L CB 1.593 43.670 42.059 0.029 0.000 1.403 36 L HN 0.514 nan 8.230 nan 0.000 0.419 37 D N 1.975 122.416 120.400 0.068 0.000 2.371 37 D HA 0.097 4.736 4.640 -0.001 0.000 0.256 37 D C -1.685 174.653 176.300 0.064 0.000 1.193 37 D CA -1.579 52.463 54.000 0.071 0.000 0.881 37 D CB 1.370 42.200 40.800 0.050 0.000 1.143 37 D HN 0.202 nan 8.370 nan 0.000 0.473 38 P HA 0.025 nan 4.420 nan 0.000 0.227 38 P C 0.637 177.992 177.300 0.091 0.000 1.161 38 P CA 0.920 64.078 63.100 0.096 0.000 0.788 38 P CB 0.072 31.855 31.700 0.137 0.000 0.822 39 A N 0.516 123.384 122.820 0.079 0.000 5.578 39 A HA -0.304 4.015 4.320 -0.001 0.000 0.312 39 A C 1.931 179.569 177.584 0.090 0.000 1.861 39 A CA 1.940 54.014 52.037 0.061 0.000 0.719 39 A CB -2.373 16.631 19.000 0.008 0.000 1.323 39 A HN 0.198 nan 8.150 nan 0.000 0.387 40 S N -0.187 115.552 115.700 0.064 0.000 2.500 40 S HA 0.010 4.479 4.470 -0.001 0.000 0.239 40 S C 1.661 176.324 174.600 0.105 0.000 0.989 40 S CA 1.300 59.547 58.200 0.079 0.000 0.951 40 S CB -0.675 62.559 63.200 0.056 0.000 0.759 40 S HN 0.498 nan 8.310 nan 0.000 0.523 41 L N 0.984 122.276 121.223 0.115 0.000 2.261 41 L HA -0.140 4.200 4.340 -0.001 0.000 0.216 41 L C 2.414 179.390 176.870 0.175 0.000 1.114 41 L CA 1.046 55.970 54.840 0.140 0.000 0.777 41 L CB -1.436 40.703 42.059 0.134 0.000 0.910 41 L HN 0.320 nan 8.230 nan 0.000 0.440 42 T N -0.236 114.438 114.554 0.201 0.000 2.721 42 T HA -0.247 4.102 4.350 -0.001 0.000 0.268 42 T C 1.753 176.465 174.700 0.019 0.000 1.038 42 T CA 1.440 63.651 62.100 0.185 0.000 1.145 42 T CB -0.195 68.794 68.868 0.203 0.000 0.858 42 T HN 0.391 nan 8.240 nan 0.000 0.459 43 K N 0.465 120.908 120.400 0.072 0.000 2.442 43 K HA 0.137 4.456 4.320 -0.001 0.000 0.198 43 K C 1.981 178.645 176.600 0.107 0.000 1.042 43 K CA 0.474 56.801 56.287 0.067 0.000 0.958 43 K CB -0.279 32.264 32.500 0.072 0.000 0.766 43 K HN 0.396 nan 8.250 nan 0.000 0.474 44 I N 0.485 121.128 120.570 0.121 0.000 2.226 44 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 44 I C 2.430 178.602 176.117 0.091 0.000 1.100 44 I CA 0.983 62.368 61.300 0.142 0.000 1.374 44 I CB -0.119 37.957 38.000 0.126 0.000 1.057 44 I HN 0.206 nan 8.210 nan 0.000 0.413 45 M N 0.635 120.218 119.600 -0.029 0.000 2.156 45 M HA -0.128 4.352 4.480 -0.001 0.000 0.264 45 M C 2.276 178.569 176.300 -0.012 0.000 1.067 45 M CA 2.011 57.239 55.300 -0.120 0.000 1.131 45 M CB -0.845 31.443 32.600 -0.521 0.000 1.368 45 M HN 0.072 nan 8.290 nan 0.000 0.416 46 T N 0.001 114.564 114.554 0.015 0.000 2.653 46 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 46 T C 1.934 176.778 174.700 0.240 0.000 1.035 46 T CA 2.135 64.378 62.100 0.238 0.000 1.154 46 T CB -0.619 68.334 68.868 0.142 0.000 0.862 46 T HN 0.451 nan 8.240 nan 0.000 0.441 47 S N -0.236 115.565 115.700 0.168 0.000 2.406 47 S HA -0.014 4.455 4.470 -0.001 0.000 0.228 47 S C 1.647 176.327 174.600 0.133 0.000 1.020 47 S CA 0.520 58.819 58.200 0.164 0.000 0.965 47 S CB -0.393 62.949 63.200 0.236 0.000 0.798 47 S HN 0.583 nan 8.310 nan 0.000 0.488 48 Y N 2.340 122.634 120.300 -0.011 0.000 2.145 48 Y HA -0.198 4.351 4.550 -0.001 0.000 0.286 48 Y C 2.159 177.949 175.900 -0.184 0.000 1.145 48 Y CA 1.399 59.431 58.100 -0.113 0.000 1.148 48 Y CB -0.441 37.917 38.460 -0.169 0.000 0.981 48 Y HN 0.030 nan 8.280 nan 0.000 0.507 49 V N -1.032 118.883 119.914 0.002 0.000 2.261 49 V HA -0.320 3.799 4.120 -0.001 0.000 0.246 49 V C 2.334 178.411 176.094 -0.028 0.000 1.047 49 V CA 1.792 64.041 62.300 -0.084 0.000 1.015 49 V CB -1.080 30.584 31.823 -0.265 0.000 0.642 49 V HN 0.328 nan 8.190 nan 0.000 0.446 50 V N 1.179 121.157 119.914 0.106 0.000 2.324 50 V HA -0.244 3.875 4.120 -0.001 0.000 0.250 50 V C 2.658 178.758 176.094 0.010 0.000 1.060 50 V CA 2.316 64.685 62.300 0.115 0.000 1.042 50 V CB -1.552 30.355 31.823 0.139 0.000 0.650 50 V HN 0.631 nan 8.190 nan 0.000 0.450 51 G N -1.109 107.659 108.800 -0.054 0.000 2.418 51 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 51 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 51 G C 1.483 176.283 174.900 -0.167 0.000 1.158 51 G CA 0.557 45.590 45.100 -0.112 0.000 0.771 51 G HN 0.474 nan 8.290 nan 0.000 0.545 52 Q N 0.424 120.070 119.800 -0.256 0.000 2.119 52 Q HA 0.000 4.339 4.340 -0.001 0.000 0.201 52 Q C 2.956 178.910 176.000 -0.076 0.000 0.972 52 Q CA 1.322 56.996 55.803 -0.214 0.000 0.847 52 Q CB -0.535 28.044 28.738 -0.265 0.000 0.903 52 Q HN 0.474 nan 8.270 nan 0.000 0.433 53 A N 0.635 123.433 122.820 -0.038 0.000 1.930 53 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 53 A C 2.235 179.817 177.584 -0.003 0.000 1.175 53 A CA 0.933 52.969 52.037 -0.002 0.000 0.627 53 A CB -0.568 18.450 19.000 0.031 0.000 0.815 53 A HN 0.278 nan 8.150 nan 0.000 0.443 54 L N -0.695 120.524 121.223 -0.007 0.000 2.044 54 L HA -0.130 4.210 4.340 -0.001 0.000 0.205 54 L C 2.577 179.436 176.870 -0.018 0.000 1.075 54 L CA 1.803 56.642 54.840 -0.003 0.000 0.747 54 L CB -0.328 41.729 42.059 -0.002 0.000 0.903 54 L HN 0.432 nan 8.230 nan 0.000 0.435 55 K N 0.537 120.913 120.400 -0.041 0.000 2.152 55 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 55 K C 1.735 178.319 176.600 -0.028 0.000 1.048 55 K CA 1.379 57.639 56.287 -0.044 0.000 0.933 55 K CB -0.055 32.399 32.500 -0.076 0.000 0.721 55 K HN 0.289 nan 8.250 nan 0.000 0.447 56 A N 0.848 123.654 122.820 -0.023 0.000 2.278 56 A HA -0.000 4.319 4.320 -0.001 0.000 0.212 56 A C 0.267 177.847 177.584 -0.006 0.000 1.213 56 A CA 0.800 52.831 52.037 -0.011 0.000 0.840 56 A CB -0.168 18.830 19.000 -0.004 0.000 0.866 56 A HN 0.616 nan 8.150 nan 0.000 0.489 57 D N -1.766 118.632 120.400 -0.004 0.000 2.837 57 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 57 D C 0.926 177.228 176.300 0.003 0.000 1.152 57 D CA 1.287 55.289 54.000 0.003 0.000 0.736 57 D CB -0.649 40.153 40.800 0.003 0.000 1.084 57 D HN 0.313 nan 8.370 nan 0.000 0.429 58 K N -0.264 120.135 120.400 -0.002 0.000 2.243 58 K HA 0.236 4.556 4.320 -0.001 0.000 0.201 58 K C 1.374 177.964 176.600 -0.017 0.000 1.051 58 K CA 0.827 57.104 56.287 -0.017 0.000 0.970 58 K CB 0.056 32.539 32.500 -0.029 0.000 0.755 58 K HN 0.717 nan 8.250 nan 0.000 0.465 59 I N -2.857 117.725 120.570 0.020 0.000 3.042 59 I HA 0.440 4.609 4.170 -0.001 0.000 0.310 59 I C -1.007 175.164 176.117 0.090 0.000 1.117 59 I CA -1.140 60.214 61.300 0.089 0.000 1.003 59 I CB 2.463 40.560 38.000 0.162 0.000 1.228 59 I HN -0.281 nan 8.210 nan 0.000 0.443 60 K N 2.468 122.939 120.400 0.118 0.000 2.340 60 K HA 0.512 4.831 4.320 -0.001 0.000 0.244 60 K C 0.344 176.982 176.600 0.063 0.000 0.973 60 K CA -0.857 55.473 56.287 0.071 0.000 0.828 60 K CB 2.844 35.377 32.500 0.055 0.000 1.226 60 K HN 0.605 nan 8.250 nan 0.000 0.437 61 L N 0.689 121.932 121.223 0.033 0.000 2.079 61 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 61 L C 2.167 179.043 176.870 0.010 0.000 1.081 61 L CA 1.758 56.607 54.840 0.015 0.000 0.752 61 L CB -0.699 41.363 42.059 0.004 0.000 0.896 61 L HN 0.838 nan 8.230 nan 0.000 0.433 62 T N -4.487 110.077 114.554 0.016 0.000 3.118 62 T HA -0.001 4.348 4.350 -0.001 0.000 0.260 62 T C 0.498 175.198 174.700 0.000 0.000 1.139 62 T CA -0.216 61.891 62.100 0.011 0.000 1.085 62 T CB -0.489 68.388 68.868 0.015 0.000 0.934 62 T HN 0.069 nan 8.240 nan 0.000 0.518 63 D N 2.347 122.747 120.400 0.001 0.000 2.424 63 D HA 0.192 4.831 4.640 -0.001 0.000 0.244 63 D C 0.155 176.377 176.300 -0.131 0.000 1.134 63 D CA 0.155 54.136 54.000 -0.031 0.000 0.881 63 D CB 0.470 41.287 40.800 0.029 0.000 1.191 63 D HN 0.134 nan 8.370 nan 0.000 0.445 64 M N 2.147 121.669 119.600 -0.130 0.000 2.108 64 M HA 0.247 4.726 4.480 -0.001 0.000 0.354 64 M C -0.482 175.658 176.300 -0.268 0.000 1.229 64 M CA -0.717 54.493 55.300 -0.149 0.000 1.081 64 M CB 1.067 33.623 32.600 -0.072 0.000 1.606 64 M HN -0.001 nan 8.290 nan 0.000 0.467 65 V N 3.187 122.922 119.914 -0.298 0.000 2.547 65 V HA 0.483 4.602 4.120 -0.001 0.000 0.299 65 V C 0.299 176.298 176.094 -0.159 0.000 1.040 65 V CA -0.677 61.409 62.300 -0.357 0.000 0.913 65 V CB 1.923 33.504 31.823 -0.404 0.000 0.992 65 V HN 0.844 nan 8.190 nan 0.000 0.449 66 T N 3.533 118.024 114.554 -0.106 0.000 2.767 66 T HA 0.444 4.794 4.350 -0.001 0.000 0.288 66 T C -0.126 174.544 174.700 -0.049 0.000 0.963 66 T CA -0.366 61.698 62.100 -0.059 0.000 1.019 66 T CB 1.338 70.184 68.868 -0.036 0.000 0.923 66 T HN 0.368 nan 8.240 nan 0.000 0.468 67 V N 3.522 123.403 119.914 -0.056 0.000 2.488 67 V HA 0.500 4.619 4.120 -0.001 0.000 0.277 67 V C 1.119 177.167 176.094 -0.077 0.000 1.046 67 V CA -0.355 61.911 62.300 -0.057 0.000 0.986 67 V CB 0.833 32.620 31.823 -0.061 0.000 0.989 67 V HN 1.046 nan 8.190 nan 0.000 0.475 68 G N 2.980 111.751 108.800 -0.049 0.000 2.535 68 G HA2 0.338 4.297 3.960 -0.001 0.000 0.303 68 G HA3 0.338 4.297 3.960 -0.001 0.000 0.303 68 G C 0.694 175.561 174.900 -0.055 0.000 1.237 68 G CA -0.438 44.635 45.100 -0.044 0.000 0.986 68 G HN 0.746 nan 8.290 nan 0.000 0.494 69 K N -0.581 119.809 120.400 -0.016 0.000 2.211 69 K HA -0.139 4.180 4.320 -0.001 0.000 0.204 69 K C 1.395 178.122 176.600 0.212 0.000 1.047 69 K CA 1.922 58.249 56.287 0.066 0.000 0.935 69 K CB -0.016 32.550 32.500 0.109 0.000 0.728 69 K HN 0.535 nan 8.250 nan 0.000 0.452 70 D N -0.373 120.107 120.400 0.133 0.000 2.336 70 D HA -0.033 4.606 4.640 -0.001 0.000 0.229 70 D C 0.438 176.831 176.300 0.155 0.000 1.061 70 D CA 0.357 54.441 54.000 0.141 0.000 0.875 70 D CB 0.478 41.328 40.800 0.083 0.000 0.904 70 D HN 0.211 nan 8.370 nan 0.000 0.525 71 A N 0.112 123.040 122.820 0.179 0.000 2.643 71 A HA 0.487 4.806 4.320 -0.001 0.000 0.295 71 A C -0.543 177.209 177.584 0.280 0.000 1.065 71 A CA -0.795 51.336 52.037 0.158 0.000 0.986 71 A CB -0.096 18.944 19.000 0.067 0.000 1.212 71 A HN 0.359 nan 8.150 nan 0.000 0.516 72 W N -3.215 118.099 121.300 0.024 0.000 3.069 72 W HA 0.699 5.359 4.660 -0.001 0.000 0.390 72 W C 0.468 177.002 176.519 0.025 0.000 1.130 72 W CA -0.380 56.982 57.345 0.029 0.000 1.138 72 W CB 0.825 30.310 29.460 0.042 0.000 1.497 72 W HN 0.089 nan 8.180 nan 0.000 0.600 73 A N 0.617 123.309 122.820 -0.214 0.000 1.874 73 A HA 0.004 4.324 4.320 -0.001 0.000 0.214 73 A C 1.655 178.897 177.584 -0.570 0.000 1.189 73 A CA 2.337 54.182 52.037 -0.321 0.000 0.615 73 A CB -1.335 17.532 19.000 -0.222 0.000 0.830 73 A HN 0.650 nan 8.150 nan 0.000 0.443 74 T N -0.192 113.646 114.554 -1.194 0.000 3.051 74 T HA 0.045 4.395 4.350 -0.001 0.000 0.269 74 T C 1.569 175.947 174.700 -0.538 0.000 1.127 74 T CA 1.161 62.678 62.100 -0.972 0.000 1.107 74 T CB -0.131 67.955 68.868 -1.304 0.000 0.898 74 T HN 0.551 nan 8.240 nan 0.000 0.517 75 G N 1.524 110.036 108.800 -0.480 0.000 2.709 75 G HA2 0.181 4.140 3.960 -0.001 0.000 0.208 75 G HA3 0.181 4.140 3.960 -0.001 0.000 0.208 75 G C 0.249 175.193 174.900 0.072 0.000 1.129 75 G CA -0.390 44.787 45.100 0.128 0.000 0.793 75 G HN 0.663 nan 8.290 nan 0.000 0.524 76 N N -1.078 117.623 118.700 0.002 0.000 2.367 76 N HA 0.374 5.113 4.740 -0.001 0.000 0.278 76 N C -2.378 173.112 175.510 -0.034 0.000 1.117 76 N CA -1.525 51.528 53.050 0.005 0.000 0.867 76 N CB 2.838 41.356 38.487 0.053 0.000 1.649 76 N HN -0.233 nan 8.380 nan 0.000 0.479 77 P HA -0.069 nan 4.420 nan 0.000 0.222 77 P C 1.253 178.532 177.300 -0.035 0.000 1.153 77 P CA 0.847 63.922 63.100 -0.042 0.000 0.798 77 P CB 0.022 31.704 31.700 -0.030 0.000 0.796 78 A N 0.078 122.888 122.820 -0.015 0.000 2.093 78 A HA -0.139 4.180 4.320 -0.001 0.000 0.222 78 A C 1.440 178.978 177.584 -0.077 0.000 1.162 78 A CA 1.075 53.099 52.037 -0.022 0.000 0.655 78 A CB -1.514 17.503 19.000 0.029 0.000 0.805 78 A HN 0.156 nan 8.150 nan 0.000 0.461 79 L N 0.869 122.052 121.223 -0.067 0.000 2.437 79 L HA 0.140 4.480 4.340 -0.001 0.000 0.243 79 L C 1.142 177.966 176.870 -0.077 0.000 1.346 79 L CA 0.220 55.006 54.840 -0.090 0.000 1.233 79 L CB -0.313 41.715 42.059 -0.052 0.000 1.436 79 L HN 0.159 nan 8.230 nan 0.000 0.416 80 R N 1.663 122.116 120.500 -0.078 0.000 4.792 80 R HA 0.190 4.530 4.340 -0.001 0.000 0.205 80 R C 0.933 177.205 176.300 -0.047 0.000 1.875 80 R CA 0.488 56.554 56.100 -0.057 0.000 1.588 80 R CB -0.569 29.701 30.300 -0.049 0.000 1.401 80 R HN 0.714 nan 8.270 nan 0.000 0.834 81 G N 1.062 109.837 108.800 -0.043 0.000 2.160 81 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.251 81 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.251 81 G C 0.070 174.954 174.900 -0.028 0.000 1.008 81 G CA 0.613 45.699 45.100 -0.023 0.000 0.724 81 G HN 0.499 nan 8.290 nan 0.000 0.514 82 S N -0.199 115.468 115.700 -0.054 0.000 2.686 82 S HA 0.701 5.170 4.470 -0.001 0.000 0.270 82 S C 0.954 175.511 174.600 -0.071 0.000 1.194 82 S CA -0.021 58.141 58.200 -0.063 0.000 0.990 82 S CB 1.113 64.257 63.200 -0.093 0.000 1.029 82 S HN 1.391 nan 8.310 nan 0.000 0.560 83 S N -0.134 115.524 115.700 -0.069 0.000 2.560 83 S HA 0.466 4.935 4.470 -0.001 0.000 0.284 83 S C -0.396 174.117 174.600 -0.143 0.000 1.327 83 S CA -0.667 57.479 58.200 -0.090 0.000 1.055 83 S CB 0.134 63.304 63.200 -0.049 0.000 0.868 83 S HN 0.619 nan 8.310 nan 0.000 0.506 84 V N 3.561 123.319 119.914 -0.260 0.000 2.966 84 V HA 0.222 4.341 4.120 -0.001 0.000 0.288 84 V C 0.248 175.960 176.094 -0.637 0.000 1.380 84 V CA -0.615 61.483 62.300 -0.337 0.000 0.966 84 V CB 2.184 33.843 31.823 -0.274 0.000 1.115 84 V HN 1.075 nan 8.190 nan 0.000 0.436 85 M N 4.188 123.559 119.600 -0.383 0.000 2.492 85 M HA 0.303 4.782 4.480 -0.001 0.000 0.262 85 M C -0.395 175.826 176.300 -0.132 0.000 1.090 85 M CA 1.120 56.252 55.300 -0.279 0.000 1.110 85 M CB 0.044 32.555 32.600 -0.148 0.000 1.407 85 M HN 0.732 nan 8.290 nan 0.000 0.470 86 F N -0.071 119.968 119.950 0.147 0.000 2.228 86 F HA -0.182 4.344 4.527 -0.001 0.000 0.484 86 F C -1.326 174.598 175.800 0.208 0.000 1.239 86 F CA -0.545 57.559 58.000 0.173 0.000 1.558 86 F CB -1.434 37.663 39.000 0.162 0.000 2.443 86 F HN -0.024 nan 8.300 nan 0.000 0.741 87 L N 3.181 124.589 121.223 0.309 0.000 2.464 87 L HA 0.674 5.014 4.340 -0.001 0.000 0.266 87 L C -0.500 176.469 176.870 0.165 0.000 0.965 87 L CA -1.082 53.887 54.840 0.214 0.000 0.833 87 L CB 2.233 44.376 42.059 0.140 0.000 1.296 87 L HN 0.390 nan 8.230 nan 0.000 0.405 88 K N 2.573 122.986 120.400 0.022 0.000 2.385 88 K HA 0.846 5.165 4.320 -0.001 0.000 0.248 88 K C -2.855 173.522 176.600 -0.372 0.000 0.955 88 K CA -2.100 54.036 56.287 -0.251 0.000 0.816 88 K CB 1.609 33.972 32.500 -0.229 0.000 1.250 88 K HN 0.109 nan 8.250 nan 0.000 0.434 89 P HA -0.031 nan 4.420 nan 0.000 0.262 89 P C 0.577 177.721 177.300 -0.260 0.000 1.182 89 P CA 1.557 64.394 63.100 -0.438 0.000 0.761 89 P CB 0.533 31.907 31.700 -0.543 0.000 0.795 90 G N 2.105 110.809 108.800 -0.160 0.000 2.225 90 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.254 90 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.254 90 G C 0.045 174.898 174.900 -0.078 0.000 0.988 90 G CA -0.240 44.797 45.100 -0.104 0.000 0.625 90 G HN 0.495 nan 8.290 nan 0.000 0.527 91 D N 1.289 121.640 120.400 -0.081 0.000 2.472 91 D HA 0.377 5.016 4.640 -0.001 0.000 0.237 91 D C 0.773 177.059 176.300 -0.024 0.000 1.141 91 D CA 0.775 54.754 54.000 -0.034 0.000 0.875 91 D CB 0.480 41.279 40.800 -0.000 0.000 1.192 91 D HN 0.526 nan 8.370 nan 0.000 0.450 92 Q N 0.578 120.373 119.800 -0.008 0.000 2.330 92 Q HA 0.577 4.916 4.340 -0.001 0.000 0.269 92 Q C -1.124 174.886 176.000 0.017 0.000 1.022 92 Q CA -0.802 54.992 55.803 -0.016 0.000 0.796 92 Q CB 2.319 31.041 28.738 -0.027 0.000 1.271 92 Q HN 0.145 nan 8.270 nan 0.000 0.450 93 V N 1.460 121.377 119.914 0.004 0.000 2.760 93 V HA 0.326 4.446 4.120 -0.001 0.000 0.309 93 V C 0.065 176.150 176.094 -0.016 0.000 1.077 93 V CA -0.960 61.372 62.300 0.054 0.000 0.910 93 V CB 1.943 33.817 31.823 0.085 0.000 1.008 93 V HN 0.945 nan 8.190 nan 0.000 0.424 94 S N 2.940 118.649 115.700 0.016 0.000 2.569 94 S HA 0.158 4.628 4.470 -0.001 0.000 0.274 94 S C 1.169 175.732 174.600 -0.061 0.000 1.353 94 S CA -0.140 58.045 58.200 -0.025 0.000 1.023 94 S CB 1.108 64.318 63.200 0.018 0.000 0.876 94 S HN 0.497 nan 8.310 nan 0.000 0.540 95 V N 2.313 122.177 119.914 -0.083 0.000 2.343 95 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 95 V C 2.928 178.991 176.094 -0.053 0.000 1.051 95 V CA 2.300 64.561 62.300 -0.065 0.000 1.036 95 V CB -1.753 30.066 31.823 -0.006 0.000 0.654 95 V HN 1.041 nan 8.190 nan 0.000 0.451 96 A N -0.280 122.518 122.820 -0.037 0.000 1.908 96 A HA -0.278 4.041 4.320 -0.001 0.000 0.218 96 A C 1.995 179.521 177.584 -0.096 0.000 1.181 96 A CA 2.238 54.244 52.037 -0.051 0.000 0.627 96 A CB -0.556 18.435 19.000 -0.015 0.000 0.818 96 A HN 0.554 nan 8.150 nan 0.000 0.445 97 D N -0.627 119.753 120.400 -0.033 0.000 2.162 97 D HA -0.039 4.601 4.640 -0.001 0.000 0.203 97 D C 1.800 178.003 176.300 -0.162 0.000 0.967 97 D CA 0.548 54.546 54.000 -0.004 0.000 0.840 97 D CB -0.172 40.750 40.800 0.202 0.000 0.972 97 D HN 0.220 nan 8.370 nan 0.000 0.482 98 L N 1.285 122.426 121.223 -0.137 0.000 2.056 98 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 98 L C 1.972 178.728 176.870 -0.190 0.000 1.078 98 L CA 1.304 56.050 54.840 -0.157 0.000 0.749 98 L CB -1.381 40.612 42.059 -0.111 0.000 0.901 98 L HN 0.153 nan 8.230 nan 0.000 0.433 99 N N -0.077 118.516 118.700 -0.178 0.000 2.084 99 N HA -0.215 4.524 4.740 -0.001 0.000 0.190 99 N C 1.778 177.109 175.510 -0.298 0.000 1.030 99 N CA 1.113 54.057 53.050 -0.177 0.000 0.849 99 N CB 0.161 38.573 38.487 -0.124 0.000 1.012 99 N HN 0.308 nan 8.380 nan 0.000 0.423 100 K N -0.005 120.119 120.400 -0.458 0.000 2.103 100 K HA -0.102 4.218 4.320 -0.001 0.000 0.207 100 K C 2.038 178.172 176.600 -0.778 0.000 1.048 100 K CA 1.212 57.030 56.287 -0.782 0.000 0.930 100 K CB -0.304 31.384 32.500 -1.353 0.000 0.716 100 K HN 0.280 nan 8.250 nan 0.000 0.444 101 G N 0.829 109.290 108.800 -0.566 0.000 2.418 101 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 101 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 101 G C 1.517 176.318 174.900 -0.164 0.000 1.158 101 G CA 1.093 46.060 45.100 -0.223 0.000 0.771 101 G HN 0.307 nan 8.290 nan 0.000 0.545 102 V N -0.416 119.392 119.914 -0.178 0.000 2.591 102 V HA 0.109 4.229 4.120 -0.001 0.000 0.249 102 V C 2.491 178.502 176.094 -0.140 0.000 1.053 102 V CA 1.273 63.501 62.300 -0.120 0.000 1.068 102 V CB -0.244 31.528 31.823 -0.086 0.000 0.689 102 V HN 0.378 nan 8.190 nan 0.000 0.462 103 I N -0.069 120.357 120.570 -0.240 0.000 2.206 103 I HA -0.053 4.116 4.170 -0.001 0.000 0.239 103 I C 2.426 178.382 176.117 -0.268 0.000 1.078 103 I CA 1.959 63.039 61.300 -0.367 0.000 1.367 103 I CB -0.178 37.466 38.000 -0.593 0.000 1.078 103 I HN 0.233 nan 8.210 nan 0.000 0.413 104 I N -0.026 120.405 120.570 -0.232 0.000 2.206 104 I HA -0.207 3.963 4.170 -0.001 0.000 0.239 104 I C 2.345 178.473 176.117 0.018 0.000 1.078 104 I CA 1.276 62.519 61.300 -0.096 0.000 1.367 104 I CB -0.380 37.572 38.000 -0.079 0.000 1.078 104 I HN 0.215 nan 8.210 nan 0.000 0.413 105 Q N 0.363 120.186 119.800 0.038 0.000 2.389 105 Q HA 0.029 4.368 4.340 -0.001 0.000 0.204 105 Q C 0.422 176.435 176.000 0.023 0.000 0.944 105 Q CA 0.304 56.151 55.803 0.074 0.000 0.908 105 Q CB 0.462 29.263 28.738 0.105 0.000 1.002 105 Q HN 0.370 nan 8.270 nan 0.000 0.493 106 S N 0.451 116.146 115.700 -0.010 0.000 3.549 106 S HA -0.158 4.311 4.470 -0.001 0.000 0.366 106 S C 0.336 174.917 174.600 -0.031 0.000 1.012 106 S CA 0.199 58.392 58.200 -0.012 0.000 1.141 106 S CB -1.501 61.710 63.200 0.019 0.000 0.910 106 S HN 0.646 nan 8.310 nan 0.000 0.471 107 G N 1.157 109.924 108.800 -0.055 0.000 2.307 107 G HA2 0.204 4.163 3.960 -0.001 0.000 0.271 107 G HA3 0.204 4.163 3.960 -0.001 0.000 0.271 107 G C 0.827 175.694 174.900 -0.055 0.000 1.191 107 G CA -0.420 44.629 45.100 -0.084 0.000 1.024 107 G HN 0.443 nan 8.290 nan 0.000 0.441 108 N N 2.344 121.016 118.700 -0.047 0.000 2.188 108 N HA -0.125 4.614 4.740 -0.001 0.000 0.184 108 N C 1.924 177.458 175.510 0.041 0.000 1.018 108 N CA 1.503 54.559 53.050 0.009 0.000 0.858 108 N CB 0.023 38.472 38.487 -0.062 0.000 0.989 108 N HN 0.732 nan 8.380 nan 0.000 0.426 109 D N 0.923 121.324 120.400 0.001 0.000 2.117 109 D HA -0.096 4.544 4.640 -0.001 0.000 0.197 109 D C 1.718 178.012 176.300 -0.009 0.000 0.987 109 D CA 1.278 55.292 54.000 0.024 0.000 0.829 109 D CB -0.720 40.102 40.800 0.035 0.000 0.961 109 D HN 0.165 nan 8.370 nan 0.000 0.460 110 A N 0.351 123.143 122.820 -0.047 0.000 1.940 110 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 110 A C 2.509 180.039 177.584 -0.090 0.000 1.176 110 A CA 1.534 53.524 52.037 -0.078 0.000 0.631 110 A CB -1.146 17.789 19.000 -0.108 0.000 0.814 110 A HN 0.463 nan 8.150 nan 0.000 0.446 111 C N -0.837 118.416 119.300 -0.079 0.000 2.429 111 C HA -0.077 4.383 4.460 -0.001 0.000 0.277 111 C C 2.565 177.425 174.990 -0.217 0.000 1.262 111 C CA 1.002 59.937 59.018 -0.139 0.000 1.733 111 C CB -1.291 26.403 27.740 -0.076 0.000 2.010 111 C HN 0.635 nan 8.230 nan 0.000 0.483 112 I N 1.139 121.638 120.570 -0.118 0.000 2.193 112 I HA -0.134 4.036 4.170 -0.001 0.000 0.240 112 I C 2.793 178.845 176.117 -0.107 0.000 1.084 112 I CA 1.456 62.685 61.300 -0.118 0.000 1.365 112 I CB -0.662 37.331 38.000 -0.012 0.000 1.064 112 I HN 0.230 nan 8.210 nan 0.000 0.410 113 A N 0.649 123.431 122.820 -0.064 0.000 1.940 113 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 113 A C 2.227 179.786 177.584 -0.043 0.000 1.176 113 A CA 1.669 53.680 52.037 -0.044 0.000 0.631 113 A CB -0.763 18.212 19.000 -0.042 0.000 0.814 113 A HN 0.359 nan 8.150 nan 0.000 0.446 114 L N -0.735 120.433 121.223 -0.092 0.000 2.109 114 L HA 0.061 4.401 4.340 -0.001 0.000 0.207 114 L C 2.741 179.534 176.870 -0.128 0.000 1.086 114 L CA 1.809 56.610 54.840 -0.065 0.000 0.760 114 L CB -0.877 41.123 42.059 -0.098 0.000 0.910 114 L HN 0.359 nan 8.230 nan 0.000 0.437 115 A N -1.025 121.558 122.820 -0.395 0.000 1.898 115 A HA -0.177 4.143 4.320 -0.001 0.000 0.216 115 A C 1.968 179.480 177.584 -0.119 0.000 1.181 115 A CA 1.645 53.299 52.037 -0.638 0.000 0.620 115 A CB -0.622 17.777 19.000 -1.002 0.000 0.819 115 A HN 0.439 nan 8.150 nan 0.000 0.442 116 D N -1.604 118.759 120.400 -0.060 0.000 2.144 116 D HA -0.158 4.481 4.640 -0.001 0.000 0.199 116 D C 1.632 177.991 176.300 0.098 0.000 0.984 116 D CA 1.446 55.465 54.000 0.031 0.000 0.834 116 D CB -0.359 40.460 40.800 0.031 0.000 0.955 116 D HN 0.583 nan 8.370 nan 0.000 0.465 117 Y N 1.156 121.447 120.300 -0.015 0.000 2.220 117 Y HA -0.121 4.428 4.550 -0.001 0.000 0.291 117 Y C 2.179 178.106 175.900 0.046 0.000 1.129 117 Y CA 0.831 58.936 58.100 0.009 0.000 1.161 117 Y CB -0.276 38.182 38.460 -0.003 0.000 0.997 117 Y HN -0.219 nan 8.280 nan 0.000 0.522 118 V N -0.509 119.428 119.914 0.038 0.000 2.453 118 V HA -0.128 3.991 4.120 -0.001 0.000 0.247 118 V C 1.973 178.084 176.094 0.028 0.000 1.048 118 V CA 1.836 64.149 62.300 0.021 0.000 1.049 118 V CB -0.735 31.246 31.823 0.262 0.000 0.672 118 V HN 0.496 nan 8.190 nan 0.000 0.457 119 A N -2.309 120.577 122.820 0.111 0.000 2.551 119 A HA 0.552 4.871 4.320 -0.001 0.000 0.252 119 A C 1.659 179.278 177.584 0.058 0.000 1.199 119 A CA 1.066 53.164 52.037 0.101 0.000 0.972 119 A CB 0.758 19.883 19.000 0.207 0.000 1.153 119 A HN 0.938 nan 8.150 nan 0.000 0.559 120 G N -0.234 108.591 108.800 0.041 0.000 2.336 120 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.233 120 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.233 120 G C 0.481 175.406 174.900 0.042 0.000 1.053 120 G CA 0.677 45.795 45.100 0.030 0.000 0.625 120 G HN 2.131 nan 8.290 nan 0.000 0.511 121 S N -1.417 114.317 115.700 0.057 0.000 2.588 121 S HA 0.644 5.114 4.470 -0.001 0.000 0.269 121 S C 0.396 175.034 174.600 0.063 0.000 1.157 121 S CA 0.411 58.639 58.200 0.047 0.000 0.824 121 S CB 1.535 64.759 63.200 0.041 0.000 1.126 121 S HN 0.231 nan 8.310 nan 0.000 0.464 122 Q N 0.440 120.258 119.800 0.030 0.000 2.084 122 Q HA -0.094 4.246 4.340 -0.001 0.000 0.202 122 Q C 1.811 177.859 176.000 0.079 0.000 0.978 122 Q CA 1.579 57.395 55.803 0.022 0.000 0.844 122 Q CB -0.183 28.539 28.738 -0.028 0.000 0.898 122 Q HN 0.791 nan 8.270 nan 0.000 0.426 123 E N 0.240 120.475 120.200 0.058 0.000 2.049 123 E HA -0.217 4.132 4.350 -0.001 0.000 0.198 123 E C 2.096 178.737 176.600 0.070 0.000 1.007 123 E CA 1.828 58.261 56.400 0.055 0.000 0.809 123 E CB 0.026 29.749 29.700 0.038 0.000 0.749 123 E HN 0.377 nan 8.360 nan 0.000 0.450 124 S N -0.350 115.396 115.700 0.076 0.000 2.436 124 S HA -0.097 4.372 4.470 -0.001 0.000 0.228 124 S C 1.899 176.548 174.600 0.080 0.000 1.014 124 S CA 0.365 58.600 58.200 0.058 0.000 0.950 124 S CB -0.564 62.661 63.200 0.042 0.000 0.784 124 S HN 0.293 nan 8.310 nan 0.000 0.504 125 F N 3.153 123.095 119.950 -0.014 0.000 2.069 125 F HA -0.045 4.481 4.527 -0.001 0.000 0.298 125 F C 2.074 177.865 175.800 -0.014 0.000 1.113 125 F CA 1.788 59.780 58.000 -0.014 0.000 1.214 125 F CB -0.351 38.634 39.000 -0.025 0.000 0.978 125 F HN 0.304 nan 8.300 nan 0.000 0.474 126 I N -0.622 120.065 120.570 0.195 0.000 2.454 126 I HA -0.044 4.125 4.170 -0.001 0.000 0.254 126 I C 2.270 178.401 176.117 0.024 0.000 1.156 126 I CA 1.626 62.984 61.300 0.096 0.000 1.433 126 I CB -1.150 36.915 38.000 0.109 0.000 1.082 126 I HN 0.161 nan 8.210 nan 0.000 0.432 127 G N 1.827 110.630 108.800 0.005 0.000 2.476 127 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.218 127 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.218 127 G C 1.435 176.282 174.900 -0.088 0.000 1.164 127 G CA 1.111 46.192 45.100 -0.032 0.000 0.768 127 G HN 0.349 nan 8.290 nan 0.000 0.560 128 L N 0.342 121.474 121.223 -0.151 0.000 2.017 128 L HA 0.024 4.364 4.340 -0.001 0.000 0.208 128 L C 3.096 179.895 176.870 -0.117 0.000 1.073 128 L CA 1.389 56.104 54.840 -0.209 0.000 0.745 128 L CB -1.071 40.806 42.059 -0.303 0.000 0.894 128 L HN 0.264 nan 8.230 nan 0.000 0.432 129 M N -0.870 118.641 119.600 -0.147 0.000 2.082 129 M HA -0.291 4.188 4.480 -0.001 0.000 0.258 129 M C 1.962 178.326 176.300 0.107 0.000 1.069 129 M CA 2.168 57.427 55.300 -0.068 0.000 1.102 129 M CB -0.697 31.791 32.600 -0.187 0.000 1.336 129 M HN 0.354 nan 8.290 nan 0.000 0.404 130 N N -0.237 118.527 118.700 0.106 0.000 2.216 130 N HA -0.063 4.676 4.740 -0.001 0.000 0.183 130 N C 1.813 177.339 175.510 0.027 0.000 1.017 130 N CA 0.950 54.066 53.050 0.111 0.000 0.861 130 N CB -0.287 38.238 38.487 0.064 0.000 0.986 130 N HN 0.417 nan 8.380 nan 0.000 0.428 131 G N 0.354 109.121 108.800 -0.055 0.000 2.476 131 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.218 131 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.218 131 G C 0.980 175.801 174.900 -0.131 0.000 1.164 131 G CA 0.884 45.897 45.100 -0.145 0.000 0.768 131 G HN 0.287 nan 8.290 nan 0.000 0.560 132 Y N 1.321 121.618 120.300 -0.005 0.000 2.293 132 Y HA 0.143 4.693 4.550 -0.001 0.000 0.291 132 Y C 3.093 178.966 175.900 -0.045 0.000 1.137 132 Y CA 0.304 58.398 58.100 -0.010 0.000 1.202 132 Y CB -0.602 37.862 38.460 0.006 0.000 0.990 132 Y HN 0.276 nan 8.280 nan 0.000 0.537 133 A N 0.541 123.448 122.820 0.144 0.000 1.859 133 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 133 A C 2.324 179.931 177.584 0.038 0.000 1.198 133 A CA 2.148 54.242 52.037 0.095 0.000 0.629 133 A CB -0.600 18.476 19.000 0.127 0.000 0.830 133 A HN 0.351 nan 8.150 nan 0.000 0.446 134 K N -0.627 119.787 120.400 0.023 0.000 2.009 134 K HA -0.215 4.104 4.320 -0.001 0.000 0.210 134 K C 2.232 178.839 176.600 0.012 0.000 1.049 134 K CA 1.803 58.093 56.287 0.005 0.000 0.929 134 K CB -0.261 32.233 32.500 -0.010 0.000 0.714 134 K HN 0.474 nan 8.250 nan 0.000 0.440 135 K N 1.184 121.599 120.400 0.024 0.000 2.113 135 K HA -0.118 4.201 4.320 -0.001 0.000 0.208 135 K C 1.827 178.460 176.600 0.054 0.000 1.047 135 K CA 1.183 57.500 56.287 0.050 0.000 0.928 135 K CB -0.009 32.554 32.500 0.105 0.000 0.716 135 K HN 0.074 nan 8.250 nan 0.000 0.446 136 L N -1.170 120.078 121.223 0.041 0.000 2.567 136 L HA 0.181 4.521 4.340 -0.001 0.000 0.225 136 L C 0.926 177.787 176.870 -0.015 0.000 1.119 136 L CA 0.381 55.220 54.840 -0.002 0.000 0.871 136 L CB 0.349 42.365 42.059 -0.073 0.000 1.036 136 L HN 0.593 nan 8.230 nan 0.000 0.459 137 G N 0.684 109.481 108.800 -0.005 0.000 2.132 137 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.228 137 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.228 137 G C 0.240 175.132 174.900 -0.013 0.000 1.000 137 G CA -0.399 44.695 45.100 -0.010 0.000 0.693 137 G HN 0.225 nan 8.290 nan 0.000 0.515 138 L N 2.277 123.493 121.223 -0.011 0.000 2.376 138 L HA 0.206 4.546 4.340 -0.001 0.000 0.250 138 L C 2.211 179.073 176.870 -0.015 0.000 1.335 138 L CA 0.472 55.304 54.840 -0.015 0.000 1.214 138 L CB -0.355 41.697 42.059 -0.011 0.000 1.395 138 L HN 0.434 nan 8.230 nan 0.000 0.424 139 T N -3.270 111.280 114.554 -0.008 0.000 3.035 139 T HA -0.059 4.291 4.350 -0.001 0.000 0.268 139 T C 1.138 175.851 174.700 0.023 0.000 1.109 139 T CA 0.637 62.738 62.100 0.001 0.000 1.119 139 T CB -0.054 68.812 68.868 -0.004 0.000 0.900 139 T HN 0.392 nan 8.240 nan 0.000 0.503 140 N N 0.997 119.715 118.700 0.031 0.000 2.338 140 N HA 0.217 4.956 4.740 -0.001 0.000 0.251 140 N C -0.879 174.736 175.510 0.175 0.000 1.199 140 N CA -0.050 53.058 53.050 0.096 0.000 0.879 140 N CB 1.281 39.792 38.487 0.040 0.000 1.159 140 N HN 0.337 nan 8.380 nan 0.000 0.514 141 T N 0.554 115.113 114.554 0.009 0.000 2.841 141 T HA 0.506 4.855 4.350 -0.001 0.000 0.285 141 T C -0.159 174.269 174.700 -0.453 0.000 0.991 141 T CA -0.478 61.476 62.100 -0.243 0.000 0.966 141 T CB 1.975 70.676 68.868 -0.278 0.000 0.962 141 T HN 0.167 nan 8.240 nan 0.000 0.438 142 T N 0.769 114.801 114.554 -0.869 0.000 2.971 142 T HA 0.747 5.096 4.350 -0.001 0.000 0.304 142 T C -0.950 173.269 174.700 -0.803 0.000 1.038 142 T CA -0.728 60.932 62.100 -0.733 0.000 1.007 142 T CB 0.603 69.102 68.868 -0.614 0.000 1.055 142 T HN 0.240 nan 8.240 nan 0.000 0.451 143 F N 1.513 121.339 119.950 -0.207 0.000 2.403 143 F HA 0.685 5.212 4.527 -0.001 0.000 0.326 143 F C 1.399 177.141 175.800 -0.097 0.000 1.081 143 F CA -0.821 57.102 58.000 -0.127 0.000 1.041 143 F CB 1.893 40.863 39.000 -0.049 0.000 1.234 143 F HN 0.568 nan 8.300 nan 0.000 0.503 144 Q N -0.104 119.783 119.800 0.146 0.000 2.081 144 Q HA 0.175 4.515 4.340 -0.001 0.000 0.220 144 Q C -0.454 175.594 176.000 0.080 0.000 0.775 144 Q CA 0.080 55.930 55.803 0.077 0.000 0.983 144 Q CB 0.926 29.688 28.738 0.039 0.000 1.188 144 Q HN 0.831 nan 8.270 nan 0.000 0.458 145 T N -4.465 110.145 114.554 0.093 0.000 2.787 145 T HA 0.453 4.802 4.350 -0.001 0.000 0.297 145 T C 0.435 175.078 174.700 -0.095 0.000 1.221 145 T CA -0.137 61.942 62.100 -0.035 0.000 1.006 145 T CB 0.840 69.734 68.868 0.043 0.000 1.328 145 T HN 0.058 nan 8.240 nan 0.000 0.509 146 V N -0.500 119.199 119.914 -0.358 0.000 3.660 146 V HA 0.278 4.397 4.120 -0.001 0.000 0.276 146 V C 1.313 177.289 176.094 -0.197 0.000 1.317 146 V CA 1.387 63.541 62.300 -0.244 0.000 1.097 146 V CB -1.420 30.190 31.823 -0.355 0.000 0.863 146 V HN 1.051 nan 8.190 nan 0.000 0.438 147 H N -0.567 118.504 119.070 0.001 0.000 3.017 147 H HA 0.615 5.170 4.556 -0.001 0.000 0.255 147 H C 1.688 177.032 175.328 0.027 0.000 0.990 147 H CA -0.246 55.800 56.048 -0.003 0.000 1.205 147 H CB 0.134 29.886 29.762 -0.017 0.000 1.460 147 H HN 0.588 nan 8.280 nan 0.000 0.478 148 G N 0.765 109.785 108.800 0.367 0.000 2.157 148 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.239 148 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.239 148 G C 0.051 175.055 174.900 0.173 0.000 0.982 148 G CA 0.048 45.291 45.100 0.239 0.000 0.650 148 G HN 0.350 nan 8.290 nan 0.000 0.527 149 L N 0.781 122.101 121.223 0.163 0.000 2.492 149 L HA 0.219 4.559 4.340 -0.001 0.000 0.280 149 L C 0.894 177.807 176.870 0.072 0.000 1.240 149 L CA -0.265 54.582 54.840 0.011 0.000 0.831 149 L CB 0.236 42.180 42.059 -0.193 0.000 1.100 149 L HN 0.103 nan 8.230 nan 0.000 0.505 150 D N 0.999 121.417 120.400 0.031 0.000 2.455 150 D HA 0.374 5.014 4.640 -0.001 0.000 0.241 150 D C -0.398 175.938 176.300 0.060 0.000 1.138 150 D CA 0.471 54.497 54.000 0.044 0.000 0.877 150 D CB 1.184 41.997 40.800 0.022 0.000 1.187 150 D HN 0.584 nan 8.370 nan 0.000 0.451 151 A N 3.765 126.625 122.820 0.067 0.000 2.513 151 A HA 0.446 4.765 4.320 -0.001 0.000 0.296 151 A C -2.633 174.988 177.584 0.062 0.000 1.052 151 A CA -1.256 50.821 52.037 0.067 0.000 0.714 151 A CB 1.413 20.463 19.000 0.084 0.000 1.279 151 A HN 0.253 nan 8.150 nan 0.000 0.397 152 P HA 0.149 nan 4.420 nan 0.000 0.248 152 P C 1.059 178.399 177.300 0.066 0.000 1.127 152 P CA 2.661 65.797 63.100 0.059 0.000 0.801 152 P CB -0.028 31.700 31.700 0.047 0.000 0.732 153 G N 2.123 110.989 108.800 0.110 0.000 2.132 153 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.228 153 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.228 153 G C -0.056 174.831 174.900 -0.021 0.000 1.000 153 G CA -0.316 44.875 45.100 0.153 0.000 0.693 153 G HN 0.647 nan 8.290 nan 0.000 0.515 154 Q N -0.196 119.606 119.800 0.004 0.000 2.394 154 Q HA 0.674 5.013 4.340 -0.001 0.000 0.259 154 Q C -0.441 175.514 176.000 -0.076 0.000 1.021 154 Q CA -1.096 54.608 55.803 -0.167 0.000 0.805 154 Q CB 0.488 29.214 28.738 -0.020 0.000 1.226 154 Q HN 0.707 nan 8.270 nan 0.000 0.476 155 F N -0.105 119.767 119.950 -0.129 0.000 2.645 155 F HA 0.808 5.335 4.527 -0.000 0.000 0.310 155 F C -0.864 174.810 175.800 -0.211 0.000 1.102 155 F CA -0.972 56.953 58.000 -0.125 0.000 0.952 155 F CB 1.529 40.476 39.000 -0.089 0.000 1.326 155 F HN 0.280 nan 8.300 nan 0.000 0.456 156 S N -0.438 115.318 115.700 0.093 0.000 2.794 156 S HA 0.876 5.346 4.470 -0.001 0.000 0.299 156 S C -1.066 173.573 174.600 0.065 0.000 1.179 156 S CA 0.041 58.255 58.200 0.024 0.000 0.838 156 S CB 1.760 64.920 63.200 -0.066 0.000 1.206 156 S HN 1.319 nan 8.310 nan 0.000 0.523 157 T N -1.367 113.204 114.554 0.029 0.000 2.887 157 T HA 0.758 5.108 4.350 -0.001 0.000 0.292 157 T C 1.026 175.731 174.700 0.009 0.000 1.087 157 T CA -0.073 62.033 62.100 0.010 0.000 1.009 157 T CB 1.069 69.931 68.868 -0.011 0.000 1.203 157 T HN 0.836 nan 8.240 nan 0.000 0.518 158 A N 0.709 123.526 122.820 -0.006 0.000 1.933 158 A HA 0.007 4.326 4.320 -0.001 0.000 0.218 158 A C 2.405 179.987 177.584 -0.002 0.000 1.175 158 A CA 1.627 53.668 52.037 0.005 0.000 0.628 158 A CB -0.848 18.143 19.000 -0.015 0.000 0.814 158 A HN 0.915 nan 8.150 nan 0.000 0.444 159 R N -0.428 120.057 120.500 -0.026 0.000 2.073 159 R HA -0.161 4.178 4.340 -0.001 0.000 0.234 159 R C 1.377 177.671 176.300 -0.010 0.000 1.134 159 R CA 1.868 57.953 56.100 -0.025 0.000 0.952 159 R CB -0.283 29.993 30.300 -0.040 0.000 0.850 159 R HN 0.431 nan 8.270 nan 0.000 0.433 160 D N -0.150 120.246 120.400 -0.006 0.000 2.144 160 D HA -0.137 4.502 4.640 -0.001 0.000 0.200 160 D C 1.861 178.170 176.300 0.015 0.000 0.978 160 D CA 0.965 54.963 54.000 -0.002 0.000 0.833 160 D CB -0.019 40.777 40.800 -0.007 0.000 0.961 160 D HN 0.194 nan 8.370 nan 0.000 0.470 161 M N 0.366 119.985 119.600 0.031 0.000 2.229 161 M HA -0.012 4.467 4.480 -0.001 0.000 0.264 161 M C 2.146 178.473 176.300 0.046 0.000 1.063 161 M CA 0.598 55.931 55.300 0.055 0.000 1.114 161 M CB -0.746 31.896 32.600 0.071 0.000 1.387 161 M HN -0.033 nan 8.290 nan 0.000 0.420 162 A N 0.064 122.904 122.820 0.034 0.000 1.898 162 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 162 A C 2.080 179.673 177.584 0.016 0.000 1.181 162 A CA 1.087 53.143 52.037 0.031 0.000 0.620 162 A CB -0.627 18.389 19.000 0.026 0.000 0.819 162 A HN 0.334 nan 8.150 nan 0.000 0.442 163 L N -0.304 120.919 121.223 -0.000 0.000 1.994 163 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 163 L C 2.469 179.321 176.870 -0.029 0.000 1.071 163 L CA 1.510 56.338 54.840 -0.020 0.000 0.745 163 L CB -1.064 40.979 42.059 -0.027 0.000 0.892 163 L HN 0.441 nan 8.230 nan 0.000 0.431 164 L N -0.906 120.300 121.223 -0.029 0.000 2.013 164 L HA -0.243 4.097 4.340 -0.001 0.000 0.212 164 L C 2.304 179.154 176.870 -0.033 0.000 1.073 164 L CA 1.949 56.752 54.840 -0.062 0.000 0.753 164 L CB -0.921 41.135 42.059 -0.005 0.000 0.890 164 L HN 0.454 nan 8.230 nan 0.000 0.432 165 G N -0.422 108.382 108.800 0.006 0.000 2.421 165 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.216 165 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.216 165 G C 1.609 176.506 174.900 -0.006 0.000 1.171 165 G CA 1.016 46.118 45.100 0.004 0.000 0.775 165 G HN 0.371 nan 8.290 nan 0.000 0.543 166 K N 0.722 121.148 120.400 0.044 0.000 2.063 166 K HA 0.037 4.356 4.320 -0.001 0.000 0.208 166 K C 2.697 179.382 176.600 0.142 0.000 1.048 166 K CA 1.596 57.965 56.287 0.136 0.000 0.928 166 K CB -0.422 32.116 32.500 0.064 0.000 0.713 166 K HN 0.191 nan 8.250 nan 0.000 0.442 167 A N 1.478 124.338 122.820 0.067 0.000 1.902 167 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 167 A C 2.144 179.903 177.584 0.292 0.000 1.181 167 A CA 1.352 53.467 52.037 0.131 0.000 0.623 167 A CB -0.700 18.273 19.000 -0.044 0.000 0.818 167 A HN 0.427 nan 8.150 nan 0.000 0.443 168 L N -0.193 121.153 121.223 0.206 0.000 1.994 168 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 168 L C 2.402 179.297 176.870 0.042 0.000 1.071 168 L CA 2.105 57.072 54.840 0.212 0.000 0.745 168 L CB -0.708 41.413 42.059 0.104 0.000 0.892 168 L HN 0.453 nan 8.230 nan 0.000 0.431 169 I N -0.949 119.532 120.570 -0.149 0.000 2.286 169 I HA -0.342 3.827 4.170 -0.001 0.000 0.248 169 I C 2.644 178.748 176.117 -0.023 0.000 1.115 169 I CA 1.253 62.333 61.300 -0.366 0.000 1.392 169 I CB -0.496 37.087 38.000 -0.694 0.000 1.065 169 I HN 0.405 nan 8.210 nan 0.000 0.418 170 H N 0.709 119.836 119.070 0.096 0.000 2.355 170 H HA -0.097 4.459 4.556 -0.001 0.000 0.303 170 H C 1.398 176.771 175.328 0.076 0.000 1.061 170 H CA 1.543 57.685 56.048 0.156 0.000 1.368 170 H CB 0.282 30.144 29.762 0.166 0.000 1.412 170 H HN 0.249 nan 8.280 nan 0.000 0.523 171 D N 0.517 121.011 120.400 0.156 0.000 2.216 171 D HA -0.035 4.604 4.640 -0.001 0.000 0.208 171 D C 1.016 177.259 176.300 -0.094 0.000 0.960 171 D CA 1.028 55.063 54.000 0.059 0.000 0.861 171 D CB 0.454 41.334 40.800 0.134 0.000 0.985 171 D HN 0.323 nan 8.370 nan 0.000 0.493 172 V N -1.144 118.713 119.914 -0.095 0.000 2.454 172 V HA 0.290 4.409 4.120 -0.001 0.000 0.255 172 V C -2.109 173.973 176.094 -0.020 0.000 1.009 172 V CA -1.223 61.007 62.300 -0.117 0.000 1.149 172 V CB 1.239 32.927 31.823 -0.224 0.000 1.418 172 V HN -0.178 nan 8.190 nan 0.000 0.567 173 P HA -0.164 nan 4.420 nan 0.000 0.216 173 P C 1.361 178.701 177.300 0.066 0.000 1.150 173 P CA 1.619 64.744 63.100 0.042 0.000 0.843 173 P CB 0.452 32.147 31.700 -0.008 0.000 0.787 174 E N 0.224 120.435 120.200 0.019 0.000 2.110 174 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 174 E C 2.049 178.664 176.600 0.025 0.000 0.988 174 E CA 1.044 57.451 56.400 0.011 0.000 0.804 174 E CB -0.406 29.288 29.700 -0.010 0.000 0.745 174 E HN 0.301 nan 8.360 nan 0.000 0.458 175 E N 0.630 120.853 120.200 0.039 0.000 2.106 175 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 175 E C 1.854 178.564 176.600 0.183 0.000 0.984 175 E CA 0.701 57.148 56.400 0.079 0.000 0.806 175 E CB -0.339 29.394 29.700 0.055 0.000 0.750 175 E HN 0.294 nan 8.360 nan 0.000 0.458 176 Y N 0.320 120.636 120.300 0.026 0.000 2.242 176 Y HA -0.053 4.497 4.550 -0.001 0.000 0.291 176 Y C 1.995 177.940 175.900 0.074 0.000 1.137 176 Y CA 1.497 59.585 58.100 -0.020 0.000 1.181 176 Y CB -0.688 37.711 38.460 -0.102 0.000 0.989 176 Y HN 0.100 nan 8.280 nan 0.000 0.527 177 A N 0.362 123.152 122.820 -0.050 0.000 2.032 177 A HA -0.200 4.119 4.320 -0.001 0.000 0.221 177 A C 2.195 179.687 177.584 -0.153 0.000 1.165 177 A CA 2.005 53.964 52.037 -0.129 0.000 0.645 177 A CB -1.214 17.763 19.000 -0.039 0.000 0.807 177 A HN 0.605 nan 8.150 nan 0.000 0.453 178 I N -1.557 118.963 120.570 -0.085 0.000 2.546 178 I HA -0.171 3.999 4.170 -0.001 0.000 0.255 178 I C 1.935 177.940 176.117 -0.187 0.000 1.163 178 I CA 0.876 62.099 61.300 -0.127 0.000 1.457 178 I CB -0.403 37.514 38.000 -0.139 0.000 1.092 178 I HN 0.331 nan 8.210 nan 0.000 0.434 179 H N 1.330 120.215 119.070 -0.308 0.000 2.521 179 H HA -0.125 4.430 4.556 -0.001 0.000 0.286 179 H C 1.855 177.023 175.328 -0.266 0.000 1.034 179 H CA 0.995 56.877 56.048 -0.277 0.000 1.278 179 H CB -0.135 29.431 29.762 -0.326 0.000 1.386 179 H HN 0.415 nan 8.280 nan 0.000 0.567 180 K N 0.587 120.861 120.400 -0.211 0.000 2.374 180 K HA 0.080 4.399 4.320 -0.001 0.000 0.196 180 K C -0.168 176.306 176.600 -0.210 0.000 1.023 180 K CA 0.012 56.173 56.287 -0.211 0.000 1.103 180 K CB 0.501 32.872 32.500 -0.215 0.000 0.848 180 K HN 0.151 nan 8.250 nan 0.000 0.528 181 E N 2.004 122.100 120.200 -0.173 0.000 2.299 181 E HA 0.029 4.379 4.350 -0.001 0.000 0.272 181 E C -0.014 176.514 176.600 -0.120 0.000 1.043 181 E CA -0.099 56.221 56.400 -0.133 0.000 0.895 181 E CB 1.165 30.803 29.700 -0.103 0.000 1.011 181 E HN 0.206 nan 8.360 nan 0.000 0.432 182 K N 1.952 122.272 120.400 -0.134 0.000 2.167 182 K HA -0.028 4.291 4.320 -0.001 0.000 0.203 182 K C 0.209 176.910 176.600 0.168 0.000 1.052 182 K CA 0.894 57.106 56.287 -0.124 0.000 0.956 182 K CB 0.371 32.745 32.500 -0.210 0.000 0.735 182 K HN 0.397 nan 8.250 nan 0.000 0.451 183 E N -0.422 119.868 120.200 0.150 0.000 2.293 183 E HA 0.221 4.571 4.350 -0.001 0.000 0.270 183 E C -1.591 175.161 176.600 0.253 0.000 0.879 183 E CA -0.610 55.916 56.400 0.209 0.000 0.756 183 E CB 1.960 31.768 29.700 0.180 0.000 1.208 183 E HN 0.011 nan 8.360 nan 0.000 0.428 184 F N 1.548 121.544 119.950 0.076 0.000 2.539 184 F HA 0.273 4.799 4.527 -0.001 0.000 0.328 184 F C -0.416 175.452 175.800 0.113 0.000 1.148 184 F CA -0.615 57.426 58.000 0.068 0.000 0.940 184 F CB 1.599 40.619 39.000 0.034 0.000 1.194 184 F HN 0.279 nan 8.300 nan 0.000 0.438 185 T N 6.379 120.897 114.554 -0.059 0.000 2.744 185 T HA 0.516 4.865 4.350 -0.001 0.000 0.291 185 T C -1.426 173.095 174.700 -0.299 0.000 0.957 185 T CA -0.078 61.925 62.100 -0.162 0.000 1.002 185 T CB 0.375 69.231 68.868 -0.019 0.000 0.919 185 T HN 0.547 nan 8.240 nan 0.000 0.468 186 F N 4.905 124.564 119.950 -0.485 0.000 2.650 186 F HA 0.387 4.914 4.527 -0.001 0.000 0.310 186 F C -0.044 175.642 175.800 -0.189 0.000 1.112 186 F CA -0.724 57.027 58.000 -0.415 0.000 0.986 186 F CB 1.331 39.896 39.000 -0.726 0.000 1.285 186 F HN 0.656 nan 8.300 nan 0.000 0.440 187 N N 3.909 122.165 118.700 -0.741 0.000 2.725 187 N HA -0.256 4.484 4.740 -0.001 0.000 0.249 187 N C 0.015 175.392 175.510 -0.222 0.000 1.103 187 N CA 1.522 54.318 53.050 -0.422 0.000 0.707 187 N CB -0.805 37.570 38.487 -0.187 0.000 1.043 187 N HN 0.823 nan 8.380 nan 0.000 0.553 188 K N -2.129 118.148 120.400 -0.205 0.000 3.209 188 K HA -0.196 4.124 4.320 -0.001 0.000 0.289 188 K C -0.488 176.062 176.600 -0.084 0.000 1.191 188 K CA 1.256 57.468 56.287 -0.125 0.000 0.851 188 K CB -1.061 31.371 32.500 -0.113 0.000 1.242 188 K HN 0.528 nan 8.250 nan 0.000 0.480 189 I N 0.774 121.300 120.570 -0.073 0.000 2.499 189 I HA 0.225 4.394 4.170 -0.001 0.000 0.288 189 I C 0.124 176.229 176.117 -0.020 0.000 1.048 189 I CA -0.816 60.466 61.300 -0.031 0.000 1.062 189 I CB 1.814 39.810 38.000 -0.007 0.000 1.238 189 I HN -0.027 nan 8.210 nan 0.000 0.426 190 R N 4.450 124.951 120.500 0.002 0.000 2.345 190 R HA 0.144 4.483 4.340 -0.001 0.000 0.331 190 R C -0.493 175.844 176.300 0.062 0.000 1.067 190 R CA -0.260 55.858 56.100 0.030 0.000 0.962 190 R CB 0.224 30.553 30.300 0.048 0.000 0.987 190 R HN 0.438 nan 8.270 nan 0.000 0.451 191 Q N 4.496 124.340 119.800 0.073 0.000 2.256 191 Q HA 0.239 4.579 4.340 -0.001 0.000 0.254 191 Q C -2.197 173.917 176.000 0.190 0.000 0.916 191 Q CA -1.840 54.042 55.803 0.130 0.000 0.932 191 Q CB 1.352 30.175 28.738 0.141 0.000 1.207 191 Q HN 0.302 nan 8.270 nan 0.000 0.426 192 P HA 0.017 nan 4.420 nan 0.000 0.284 192 P C -0.664 176.799 177.300 0.272 0.000 1.253 192 P CA -0.475 62.772 63.100 0.246 0.000 0.800 192 P CB 0.759 32.552 31.700 0.156 0.000 0.961 193 N N 2.707 121.608 118.700 0.335 0.000 2.357 193 N HA -0.068 4.672 4.740 -0.001 0.000 0.257 193 N C 1.152 176.854 175.510 0.320 0.000 1.250 193 N CA 0.365 53.570 53.050 0.259 0.000 0.862 193 N CB 0.411 38.984 38.487 0.143 0.000 1.066 193 N HN 0.293 nan 8.380 nan 0.000 0.468 194 R N 1.656 122.297 120.500 0.234 0.000 2.280 194 R HA -0.047 4.293 4.340 -0.001 0.000 0.207 194 R C 0.109 176.622 176.300 0.354 0.000 1.043 194 R CA 0.200 56.454 56.100 0.257 0.000 1.006 194 R CB -0.100 30.319 30.300 0.199 0.000 0.885 194 R HN 0.432 nan 8.270 nan 0.000 0.467 195 N N 1.958 120.855 118.700 0.328 0.000 2.508 195 N HA 0.009 4.748 4.740 -0.001 0.000 0.253 195 N C 0.521 176.208 175.510 0.295 0.000 1.145 195 N CA 0.056 53.324 53.050 0.364 0.000 0.973 195 N CB 0.411 39.048 38.487 0.250 0.000 1.305 195 N HN 0.043 nan 8.380 nan 0.000 0.506 196 R N 2.330 122.847 120.500 0.029 0.000 2.189 196 R HA -0.023 4.316 4.340 -0.001 0.000 0.223 196 R C 1.377 177.629 176.300 -0.079 0.000 1.092 196 R CA 0.504 56.532 56.100 -0.119 0.000 0.989 196 R CB -0.037 29.847 30.300 -0.694 0.000 0.876 196 R HN 0.564 nan 8.270 nan 0.000 0.457 197 L N 0.654 121.747 121.223 -0.218 0.000 2.353 197 L HA -0.163 4.177 4.340 -0.001 0.000 0.220 197 L C 1.768 178.660 176.870 0.037 0.000 1.133 197 L CA 0.529 55.356 54.840 -0.021 0.000 0.798 197 L CB -0.229 41.911 42.059 0.134 0.000 0.922 197 L HN 0.169 nan 8.230 nan 0.000 0.445 198 L N -1.132 120.084 121.223 -0.011 0.000 2.187 198 L HA -0.232 4.108 4.340 -0.001 0.000 0.213 198 L C 1.965 178.660 176.870 -0.293 0.000 1.100 198 L CA 1.656 56.342 54.840 -0.256 0.000 0.765 198 L CB -0.841 40.845 42.059 -0.621 0.000 0.904 198 L HN 0.410 nan 8.230 nan 0.000 0.437 199 W N -1.195 120.071 121.300 -0.056 0.000 3.290 199 W HA 0.237 4.897 4.660 -0.001 0.000 0.287 199 W C 1.165 177.660 176.519 -0.041 0.000 1.288 199 W CA -0.278 57.039 57.345 -0.047 0.000 1.725 199 W CB -0.177 29.247 29.460 -0.060 0.000 1.103 199 W HN 0.076 nan 8.180 nan 0.000 0.670 200 S N 0.772 116.548 115.700 0.127 0.000 2.552 200 S HA 0.007 4.476 4.470 -0.001 0.000 0.289 200 S C 1.215 175.853 174.600 0.064 0.000 1.304 200 S CA 0.311 58.562 58.200 0.085 0.000 1.063 200 S CB 1.199 64.441 63.200 0.070 0.000 0.848 200 S HN 0.058 nan 8.310 nan 0.000 0.499 201 S N 4.332 120.067 115.700 0.058 0.000 2.478 201 S HA 0.024 4.493 4.470 -0.001 0.000 0.222 201 S C 1.620 176.238 174.600 0.030 0.000 1.008 201 S CA -0.025 58.199 58.200 0.039 0.000 0.928 201 S CB -0.177 63.045 63.200 0.036 0.000 0.781 201 S HN 0.795 nan 8.310 nan 0.000 0.518 202 N N 1.214 119.938 118.700 0.041 0.000 2.300 202 N HA 0.132 4.871 4.740 -0.001 0.000 0.179 202 N C 0.288 175.827 175.510 0.049 0.000 1.016 202 N CA 0.690 53.766 53.050 0.044 0.000 0.876 202 N CB 0.039 38.561 38.487 0.059 0.000 0.979 202 N HN 0.351 nan 8.380 nan 0.000 0.432 203 L N -0.335 120.924 121.223 0.061 0.000 2.309 203 L HA 0.333 4.672 4.340 -0.001 0.000 0.261 203 L C 0.052 176.944 176.870 0.037 0.000 1.021 203 L CA -0.716 54.167 54.840 0.073 0.000 0.823 203 L CB 2.161 44.314 42.059 0.157 0.000 1.366 203 L HN -0.139 nan 8.230 nan 0.000 0.423 204 N N 0.466 119.176 118.700 0.018 0.000 2.719 204 N HA 0.333 5.072 4.740 -0.001 0.000 0.243 204 N C -1.329 174.209 175.510 0.046 0.000 1.104 204 N CA -0.323 52.728 53.050 0.002 0.000 0.981 204 N CB 0.627 39.091 38.487 -0.040 0.000 1.290 204 N HN 0.244 nan 8.380 nan 0.000 0.513 205 V N 2.849 122.786 119.914 0.039 0.000 2.439 205 V HA 0.181 4.301 4.120 -0.001 0.000 0.282 205 V C 0.322 176.420 176.094 0.008 0.000 1.039 205 V CA -0.317 62.019 62.300 0.060 0.000 0.913 205 V CB 1.501 33.366 31.823 0.069 0.000 0.983 205 V HN 0.703 nan 8.190 nan 0.000 0.460 206 D N 1.844 122.270 120.400 0.044 0.000 2.556 206 D HA 0.384 5.023 4.640 -0.001 0.000 0.237 206 D C 0.226 176.499 176.300 -0.044 0.000 1.296 206 D CA 0.374 54.360 54.000 -0.024 0.000 0.807 206 D CB 0.896 41.686 40.800 -0.017 0.000 1.084 206 D HN 0.693 nan 8.370 nan 0.000 0.510 207 G N -0.852 108.005 108.800 0.096 0.000 2.548 207 G HA2 0.456 4.415 3.960 -0.001 0.000 0.301 207 G HA3 0.456 4.415 3.960 -0.001 0.000 0.301 207 G C -0.482 174.532 174.900 0.189 0.000 1.349 207 G CA -0.154 45.028 45.100 0.136 0.000 0.792 207 G HN 0.078 nan 8.290 nan 0.000 0.481 208 M N -1.933 117.796 119.600 0.215 0.000 2.199 208 M HA 0.566 5.045 4.480 -0.001 0.000 0.191 208 M C -0.444 176.028 176.300 0.286 0.000 1.744 208 M CA 0.368 55.819 55.300 0.252 0.000 1.005 208 M CB 0.911 33.648 32.600 0.228 0.000 1.478 208 M HN 0.379 nan 8.290 nan 0.000 0.585 209 K N 1.093 121.631 120.400 0.230 0.000 2.561 209 K HA 0.347 4.666 4.320 -0.001 0.000 0.254 209 K C -1.043 175.658 176.600 0.168 0.000 0.942 209 K CA -0.339 56.073 56.287 0.209 0.000 0.818 209 K CB 1.640 34.267 32.500 0.211 0.000 1.306 209 K HN 0.376 nan 8.250 nan 0.000 0.435 210 T N -0.158 114.492 114.554 0.160 0.000 2.912 210 T HA 0.904 5.253 4.350 -0.001 0.000 0.280 210 T C 0.218 174.965 174.700 0.079 0.000 0.989 210 T CA -0.396 61.772 62.100 0.114 0.000 0.995 210 T CB 1.566 70.525 68.868 0.151 0.000 1.077 210 T HN 0.754 nan 8.240 nan 0.000 0.531 211 G N 0.219 109.040 108.800 0.034 0.000 2.655 211 G HA2 0.550 4.509 3.960 -0.001 0.000 0.296 211 G HA3 0.550 4.509 3.960 -0.001 0.000 0.296 211 G C -0.888 173.966 174.900 -0.078 0.000 1.485 211 G CA -0.399 44.703 45.100 0.003 0.000 0.869 211 G HN 1.254 nan 8.290 nan 0.000 0.540 212 T N -1.207 113.262 114.554 -0.142 0.000 3.071 212 T HA 0.767 5.117 4.350 -0.001 0.000 0.311 212 T C -0.266 174.310 174.700 -0.208 0.000 1.042 212 T CA -0.506 61.412 62.100 -0.304 0.000 1.028 212 T CB 1.809 70.273 68.868 -0.673 0.000 1.068 212 T HN 0.658 nan 8.240 nan 0.000 0.451 213 T N 1.805 116.260 114.554 -0.165 0.000 2.927 213 T HA 0.758 5.107 4.350 -0.001 0.000 0.286 213 T C 1.664 176.292 174.700 -0.121 0.000 1.040 213 T CA -0.381 61.648 62.100 -0.119 0.000 1.010 213 T CB 1.388 70.221 68.868 -0.058 0.000 1.177 213 T HN 0.829 nan 8.240 nan 0.000 0.546 214 A N 0.678 123.452 122.820 -0.076 0.000 1.841 214 A HA 0.283 4.602 4.320 -0.001 0.000 0.214 214 A C 1.803 179.369 177.584 -0.029 0.000 1.195 214 A CA 1.243 53.249 52.037 -0.052 0.000 0.611 214 A CB -1.230 17.753 19.000 -0.028 0.000 0.835 214 A HN 0.906 nan 8.150 nan 0.000 0.443 215 G N -1.308 107.481 108.800 -0.018 0.000 3.197 215 G HA2 0.463 4.422 3.960 -0.001 0.000 0.257 215 G HA3 0.463 4.422 3.960 -0.001 0.000 0.257 215 G C 0.363 175.260 174.900 -0.005 0.000 0.835 215 G CA 0.780 45.877 45.100 -0.004 0.000 2.001 215 G HN 0.867 nan 8.290 nan 0.000 0.625 216 A N -0.115 122.695 122.820 -0.017 0.000 1.621 216 A HA 0.775 5.094 4.320 -0.001 0.000 0.212 216 A C 1.149 178.733 177.584 -0.001 0.000 1.760 216 A CA 1.002 53.032 52.037 -0.012 0.000 1.251 216 A CB -0.052 18.927 19.000 -0.036 0.000 1.168 216 A HN 2.142 nan 8.150 nan 0.000 0.463 217 G N -1.668 107.116 108.800 -0.027 0.000 2.466 217 G HA2 0.129 4.089 3.960 -0.001 0.000 0.316 217 G HA3 0.129 4.089 3.960 -0.001 0.000 0.316 217 G C -0.944 173.914 174.900 -0.070 0.000 1.270 217 G CA -0.286 44.837 45.100 0.038 0.000 0.982 217 G HN 0.872 nan 8.290 nan 0.000 0.506 218 Y N 1.252 121.539 120.300 -0.021 0.000 2.360 218 Y HA 0.682 5.231 4.550 -0.001 0.000 0.337 218 Y C 0.623 176.488 175.900 -0.058 0.000 1.039 218 Y CA -0.794 57.274 58.100 -0.054 0.000 1.109 218 Y CB 2.006 40.410 38.460 -0.092 0.000 1.201 218 Y HN 0.576 nan 8.280 nan 0.000 0.458 219 N N 2.638 121.365 118.700 0.045 0.000 2.265 219 N HA 0.603 5.342 4.740 -0.001 0.000 0.300 219 N C -1.755 173.756 175.510 0.001 0.000 1.148 219 N CA -0.679 52.389 53.050 0.031 0.000 0.772 219 N CB 2.513 41.021 38.487 0.035 0.000 1.434 219 N HN 0.559 nan 8.380 nan 0.000 0.481 220 L N 1.177 122.418 121.223 0.030 0.000 2.588 220 L HA 0.403 4.743 4.340 -0.001 0.000 0.263 220 L C -1.583 175.346 176.870 0.099 0.000 0.935 220 L CA -0.675 54.197 54.840 0.053 0.000 0.891 220 L CB 1.841 43.907 42.059 0.012 0.000 1.318 220 L HN 0.193 nan 8.230 nan 0.000 0.409 221 V N 3.927 123.914 119.914 0.122 0.000 2.370 221 V HA 0.745 4.864 4.120 -0.001 0.000 0.279 221 V C 0.395 176.581 176.094 0.154 0.000 1.029 221 V CA -0.274 62.103 62.300 0.129 0.000 0.870 221 V CB 1.220 33.117 31.823 0.122 0.000 0.984 221 V HN 0.820 nan 8.190 nan 0.000 0.451 222 A N 3.973 126.882 122.820 0.149 0.000 2.413 222 A HA 0.949 5.268 4.320 -0.001 0.000 0.307 222 A C -0.405 177.264 177.584 0.142 0.000 1.087 222 A CA -0.578 51.558 52.037 0.165 0.000 0.750 222 A CB 2.203 21.311 19.000 0.181 0.000 1.296 222 A HN 0.791 nan 8.150 nan 0.000 0.423 223 S N -0.640 115.155 115.700 0.159 0.000 2.541 223 S HA 0.826 5.295 4.470 -0.001 0.000 0.271 223 S C -0.937 173.763 174.600 0.167 0.000 1.133 223 S CA 0.247 58.530 58.200 0.138 0.000 0.876 223 S CB 1.579 64.838 63.200 0.099 0.000 1.105 223 S HN 2.347 nan 8.310 nan 0.000 0.470 224 A N 1.924 124.858 122.820 0.190 0.000 2.594 224 A HA 0.885 5.204 4.320 -0.001 0.000 0.295 224 A C -0.401 177.398 177.584 0.359 0.000 1.071 224 A CA -0.442 51.751 52.037 0.260 0.000 0.685 224 A CB 1.458 20.671 19.000 0.355 0.000 1.285 224 A HN 1.315 nan 8.150 nan 0.000 0.405 225 T N -1.139 113.538 114.554 0.205 0.000 2.907 225 T HA 0.763 5.112 4.350 -0.001 0.000 0.292 225 T C -0.731 173.824 174.700 -0.242 0.000 1.043 225 T CA -0.571 61.584 62.100 0.092 0.000 1.003 225 T CB 1.901 70.785 68.868 0.026 0.000 1.084 225 T HN 0.764 nan 8.240 nan 0.000 0.483 226 Q N 1.145 120.720 119.800 -0.376 0.000 2.709 226 Q HA 0.462 4.801 4.340 -0.001 0.000 0.232 226 Q C 0.549 176.406 176.000 -0.239 0.000 0.856 226 Q CA 0.173 55.666 55.803 -0.517 0.000 0.788 226 Q CB 0.539 28.578 28.738 -1.165 0.000 1.386 226 Q HN 1.458 nan 8.270 nan 0.000 0.453 227 G N 3.455 112.168 108.800 -0.145 0.000 2.574 227 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.286 227 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.286 227 G C 0.259 175.142 174.900 -0.029 0.000 1.212 227 G CA 0.445 45.502 45.100 -0.071 0.000 0.979 227 G HN 0.706 nan 8.290 nan 0.000 0.557 228 D N 0.850 121.250 120.400 -0.001 0.000 2.363 228 D HA 0.061 4.701 4.640 -0.001 0.000 0.220 228 D C 1.479 177.821 176.300 0.070 0.000 0.994 228 D CA 0.867 54.885 54.000 0.030 0.000 0.890 228 D CB 0.041 40.858 40.800 0.029 0.000 0.906 228 D HN 0.462 nan 8.370 nan 0.000 0.530 229 M N 1.022 120.672 119.600 0.084 0.000 2.188 229 M HA 0.194 4.673 4.480 -0.001 0.000 0.357 229 M C -0.381 176.072 176.300 0.255 0.000 1.204 229 M CA -0.390 55.014 55.300 0.174 0.000 1.095 229 M CB 1.467 34.199 32.600 0.220 0.000 1.604 229 M HN -0.301 nan 8.290 nan 0.000 0.464 230 R N 5.460 126.113 120.500 0.255 0.000 2.575 230 R HA 0.663 5.002 4.340 -0.001 0.000 0.293 230 R C -2.199 174.215 176.300 0.190 0.000 0.983 230 R CA -0.610 55.631 56.100 0.236 0.000 0.887 230 R CB 1.423 31.753 30.300 0.051 0.000 1.184 230 R HN 0.860 nan 8.270 nan 0.000 0.445 231 L N 4.915 126.210 121.223 0.121 0.000 2.330 231 L HA 0.614 4.954 4.340 -0.001 0.000 0.271 231 L C -0.399 176.485 176.870 0.023 0.000 1.013 231 L CA -1.031 53.790 54.840 -0.032 0.000 0.816 231 L CB 2.153 44.006 42.059 -0.344 0.000 1.287 231 L HN 0.549 nan 8.230 nan 0.000 0.435 232 I N 1.274 121.861 120.570 0.028 0.000 2.447 232 I HA 0.305 4.475 4.170 -0.001 0.000 0.287 232 I C -0.379 175.771 176.117 0.055 0.000 1.023 232 I CA -0.224 61.108 61.300 0.053 0.000 1.083 232 I CB 2.116 40.154 38.000 0.065 0.000 1.245 232 I HN 0.616 nan 8.210 nan 0.000 0.434 233 S N 5.660 121.405 115.700 0.075 0.000 2.537 233 S HA 0.825 5.294 4.470 -0.001 0.000 0.301 233 S C -0.752 173.913 174.600 0.109 0.000 1.092 233 S CA -0.671 57.587 58.200 0.095 0.000 1.048 233 S CB 2.213 65.472 63.200 0.099 0.000 1.053 233 S HN 0.278 nan 8.310 nan 0.000 0.501 234 V N 2.481 122.469 119.914 0.124 0.000 2.483 234 V HA 0.483 4.603 4.120 -0.001 0.000 0.297 234 V C -0.699 175.493 176.094 0.164 0.000 1.027 234 V CA -0.703 61.672 62.300 0.125 0.000 0.855 234 V CB 1.552 33.436 31.823 0.101 0.000 0.995 234 V HN 0.847 nan 8.190 nan 0.000 0.424 235 V N 6.256 126.252 119.914 0.136 0.000 2.398 235 V HA 0.514 4.634 4.120 -0.001 0.000 0.286 235 V C -0.512 175.654 176.094 0.121 0.000 1.026 235 V CA -0.532 61.856 62.300 0.146 0.000 0.868 235 V CB 1.657 33.529 31.823 0.082 0.000 0.982 235 V HN 0.547 nan 8.190 nan 0.000 0.443 236 L N 3.561 124.872 121.223 0.148 0.000 2.346 236 L HA 0.795 5.134 4.340 -0.001 0.000 0.276 236 L C 0.792 177.729 176.870 0.111 0.000 1.006 236 L CA 0.218 55.124 54.840 0.110 0.000 0.817 236 L CB 1.213 43.328 42.059 0.093 0.000 1.272 236 L HN 0.907 nan 8.230 nan 0.000 0.421 237 G N 3.176 112.029 108.800 0.087 0.000 2.325 237 G HA2 0.060 4.019 3.960 -0.001 0.000 0.274 237 G HA3 0.060 4.019 3.960 -0.001 0.000 0.274 237 G C 0.015 174.978 174.900 0.105 0.000 0.921 237 G CA 0.361 45.514 45.100 0.089 0.000 1.340 237 G HN 0.991 nan 8.290 nan 0.000 0.447 238 A N 1.043 123.936 122.820 0.122 0.000 2.320 238 A HA 0.854 5.173 4.320 -0.001 0.000 0.334 238 A C 1.154 178.809 177.584 0.117 0.000 1.147 238 A CA 0.008 52.097 52.037 0.087 0.000 0.820 238 A CB 0.990 20.010 19.000 0.034 0.000 1.218 238 A HN 0.450 nan 8.150 nan 0.000 0.482 239 K N -0.238 120.183 120.400 0.035 0.000 2.097 239 K HA -0.033 4.287 4.320 -0.001 0.000 0.205 239 K C 0.878 177.437 176.600 -0.069 0.000 1.050 239 K CA 1.882 58.187 56.287 0.029 0.000 0.938 239 K CB -0.089 32.408 32.500 -0.005 0.000 0.718 239 K HN 0.883 nan 8.250 nan 0.000 0.442 240 T N -2.877 111.504 114.554 -0.288 0.000 2.887 240 T HA 0.143 4.493 4.350 -0.001 0.000 0.292 240 T C 0.554 174.605 174.700 -1.081 0.000 1.087 240 T CA -0.919 60.770 62.100 -0.685 0.000 1.009 240 T CB 1.745 70.412 68.868 -0.336 0.000 1.203 240 T HN -0.083 nan 8.240 nan 0.000 0.518 241 D N 0.917 120.532 120.400 -1.309 0.000 2.269 241 D HA -0.208 4.431 4.640 -0.001 0.000 0.191 241 D C 1.888 178.058 176.300 -0.216 0.000 1.007 241 D CA 1.904 55.578 54.000 -0.544 0.000 0.855 241 D CB -0.068 40.639 40.800 -0.156 0.000 0.979 241 D HN 0.570 nan 8.370 nan 0.000 0.452 242 R N -0.151 120.291 120.500 -0.098 0.000 2.152 242 R HA 0.097 4.437 4.340 -0.001 0.000 0.232 242 R C 2.504 178.826 176.300 0.036 0.000 1.117 242 R CA 0.564 56.700 56.100 0.060 0.000 0.981 242 R CB -0.459 29.853 30.300 0.021 0.000 0.870 242 R HN 0.414 nan 8.270 nan 0.000 0.451 243 I N 0.027 120.554 120.570 -0.072 0.000 2.277 243 I HA -0.157 4.013 4.170 -0.001 0.000 0.243 243 I C 2.570 178.653 176.117 -0.056 0.000 1.094 243 I CA 0.521 61.786 61.300 -0.057 0.000 1.393 243 I CB -0.281 37.668 38.000 -0.084 0.000 1.078 243 I HN 0.110 nan 8.210 nan 0.000 0.417 244 R N 1.437 121.864 120.500 -0.121 0.000 2.191 244 R HA -0.284 4.055 4.340 -0.001 0.000 0.248 244 R C 2.207 178.435 176.300 -0.120 0.000 1.127 244 R CA 2.422 58.424 56.100 -0.163 0.000 0.943 244 R CB -0.820 29.297 30.300 -0.304 0.000 0.891 244 R HN 0.221 nan 8.270 nan 0.000 0.439 245 F N 0.514 120.484 119.950 0.034 0.000 2.259 245 F HA -0.040 4.487 4.527 -0.001 0.000 0.298 245 F C 2.344 178.165 175.800 0.034 0.000 1.088 245 F CA 1.472 59.502 58.000 0.050 0.000 1.358 245 F CB -0.798 38.236 39.000 0.057 0.000 1.040 245 F HN 0.294 nan 8.300 nan 0.000 0.505 246 N N 0.252 119.061 118.700 0.181 0.000 2.106 246 N HA -0.168 4.571 4.740 -0.001 0.000 0.188 246 N C 1.746 177.286 175.510 0.051 0.000 1.029 246 N CA 1.496 54.605 53.050 0.098 0.000 0.848 246 N CB -0.061 38.454 38.487 0.048 0.000 1.007 246 N HN 0.008 nan 8.380 nan 0.000 0.423 247 E N 0.080 120.283 120.200 0.005 0.000 2.106 247 E HA -0.070 4.279 4.350 -0.001 0.000 0.192 247 E C 2.064 178.650 176.600 -0.024 0.000 0.984 247 E CA 0.691 57.053 56.400 -0.062 0.000 0.806 247 E CB -0.353 29.271 29.700 -0.126 0.000 0.750 247 E HN 0.374 nan 8.360 nan 0.000 0.458 248 S N 1.190 116.918 115.700 0.046 0.000 2.348 248 S HA -0.199 4.270 4.470 -0.001 0.000 0.221 248 S C 2.007 176.672 174.600 0.108 0.000 1.033 248 S CA 1.452 59.707 58.200 0.092 0.000 1.010 248 S CB -0.243 63.049 63.200 0.152 0.000 0.891 248 S HN 0.375 nan 8.310 nan 0.000 0.442 249 E N 1.333 121.612 120.200 0.132 0.000 2.160 249 E HA -0.213 4.136 4.350 -0.001 0.000 0.195 249 E C 2.075 178.745 176.600 0.117 0.000 0.991 249 E CA 1.114 57.593 56.400 0.132 0.000 0.810 249 E CB -0.064 29.713 29.700 0.129 0.000 0.742 249 E HN 0.390 nan 8.360 nan 0.000 0.466 250 K N 0.283 120.732 120.400 0.081 0.000 2.097 250 K HA -0.146 4.174 4.320 -0.001 0.000 0.205 250 K C 2.157 178.828 176.600 0.118 0.000 1.050 250 K CA 1.103 57.435 56.287 0.076 0.000 0.938 250 K CB -0.038 32.460 32.500 -0.003 0.000 0.718 250 K HN 0.202 nan 8.250 nan 0.000 0.442 251 L N 0.720 121.990 121.223 0.078 0.000 2.027 251 L HA -0.193 4.146 4.340 -0.001 0.000 0.206 251 L C 2.353 179.344 176.870 0.201 0.000 1.074 251 L CA 0.454 55.375 54.840 0.135 0.000 0.745 251 L CB -0.457 41.644 42.059 0.070 0.000 0.898 251 L HN 0.140 nan 8.230 nan 0.000 0.433 252 L N -0.288 121.001 121.223 0.109 0.000 2.013 252 L HA -0.224 4.115 4.340 -0.001 0.000 0.212 252 L C 2.654 179.560 176.870 0.059 0.000 1.073 252 L CA 2.074 56.916 54.840 0.004 0.000 0.753 252 L CB -1.665 40.447 42.059 0.089 0.000 0.890 252 L HN 0.265 nan 8.230 nan 0.000 0.432 253 T N -2.034 112.640 114.554 0.200 0.000 2.708 253 T HA -0.256 4.093 4.350 -0.001 0.000 0.266 253 T C 1.498 176.337 174.700 0.232 0.000 1.037 253 T CA 1.495 63.736 62.100 0.235 0.000 1.146 253 T CB -0.472 68.509 68.868 0.189 0.000 0.865 253 T HN 0.501 nan 8.240 nan 0.000 0.435 254 W N 1.921 123.285 121.300 0.107 0.000 2.332 254 W HA -0.076 4.583 4.660 -0.001 0.000 0.321 254 W C 2.460 179.139 176.519 0.266 0.000 1.219 254 W CA 1.478 58.949 57.345 0.209 0.000 1.277 254 W CB -1.026 28.585 29.460 0.251 0.000 1.161 254 W HN 0.263 nan 8.180 nan 0.000 0.476 255 G N 0.313 109.293 108.800 0.299 0.000 2.599 255 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.219 255 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.219 255 G C 1.391 176.286 174.900 -0.008 0.000 1.193 255 G CA 1.491 46.608 45.100 0.029 0.000 0.778 255 G HN 0.287 nan 8.290 nan 0.000 0.589 256 F N 0.700 120.687 119.950 0.061 0.000 2.216 256 F HA 0.060 4.587 4.527 -0.001 0.000 0.300 256 F C 2.686 178.409 175.800 -0.129 0.000 1.085 256 F CA 1.186 59.181 58.000 -0.007 0.000 1.326 256 F CB -0.462 38.537 39.000 -0.003 0.000 1.027 256 F HN 0.102 nan 8.300 nan 0.000 0.497 257 R N -0.846 119.588 120.500 -0.111 0.000 2.090 257 R HA -0.096 4.244 4.340 -0.001 0.000 0.228 257 R C 1.400 177.296 176.300 -0.672 0.000 1.110 257 R CA 1.460 57.278 56.100 -0.471 0.000 0.973 257 R CB -0.249 29.584 30.300 -0.778 0.000 0.869 257 R HN 0.190 nan 8.270 nan 0.000 0.440 258 F N -1.401 118.341 119.950 -0.346 0.000 2.704 258 F HA 0.345 4.872 4.527 0.000 0.000 0.304 258 F C -0.284 174.980 175.800 -0.894 0.000 1.094 258 F CA -0.201 57.392 58.000 -0.678 0.000 1.275 258 F CB 0.552 38.932 39.000 -1.033 0.000 1.073 258 F HN -0.182 nan 8.300 nan 0.000 0.586 259 F N 0.150 120.045 119.950 -0.092 0.000 2.588 259 F HA 0.470 4.996 4.527 -0.002 0.000 0.314 259 F C -0.154 175.639 175.800 -0.011 0.000 1.069 259 F CA -1.353 56.610 58.000 -0.061 0.000 0.931 259 F CB 1.686 40.626 39.000 -0.100 0.000 1.260 259 F HN -0.159 nan 8.300 nan 0.000 0.465 260 E N -0.420 119.893 120.200 0.189 0.000 2.416 260 E HA 0.690 5.039 4.350 -0.001 0.000 0.273 260 E C -1.719 174.936 176.600 0.092 0.000 0.935 260 E CA -1.057 55.414 56.400 0.118 0.000 0.784 260 E CB 2.330 32.062 29.700 0.053 0.000 1.301 260 E HN 0.418 nan 8.360 nan 0.000 0.454 261 T N 1.162 115.753 114.554 0.062 0.000 2.786 261 T HA 0.497 4.847 4.350 -0.001 0.000 0.283 261 T C -0.516 174.178 174.700 -0.010 0.000 0.992 261 T CA -0.578 61.535 62.100 0.022 0.000 0.954 261 T CB 1.119 70.012 68.868 0.042 0.000 0.934 261 T HN 0.512 nan 8.240 nan 0.000 0.440 262 V N 1.079 120.957 119.914 -0.059 0.000 3.102 262 V HA 0.892 5.012 4.120 -0.001 0.000 0.312 262 V C -0.460 175.557 176.094 -0.128 0.000 1.135 262 V CA -0.880 61.374 62.300 -0.076 0.000 1.022 262 V CB 2.343 34.120 31.823 -0.078 0.000 1.056 262 V HN 0.714 nan 8.190 nan 0.000 0.436 263 T N 3.125 117.615 114.554 -0.106 0.000 3.241 263 T HA 0.439 4.788 4.350 -0.001 0.000 0.387 263 T C -1.941 172.699 174.700 -0.099 0.000 1.451 263 T CA -0.583 61.450 62.100 -0.112 0.000 1.363 263 T CB 1.083 69.917 68.868 -0.056 0.000 1.074 263 T HN 0.787 nan 8.240 nan 0.000 0.598 264 P HA 0.137 nan 4.420 nan 0.000 0.223 264 P C 0.071 177.342 177.300 -0.048 0.000 1.151 264 P CA 0.584 63.639 63.100 -0.075 0.000 0.787 264 P CB 0.333 31.999 31.700 -0.057 0.000 0.788 265 I N -0.582 119.968 120.570 -0.034 0.000 2.448 265 I HA 0.272 4.441 4.170 -0.001 0.000 0.281 265 I C 0.228 176.337 176.117 -0.013 0.000 1.027 265 I CA -1.220 60.054 61.300 -0.043 0.000 1.111 265 I CB 1.678 39.620 38.000 -0.097 0.000 1.236 265 I HN -0.357 nan 8.210 nan 0.000 0.452 266 K N 7.254 127.649 120.400 -0.008 0.000 2.319 266 K HA 0.336 4.655 4.320 -0.001 0.000 0.265 266 K C -2.411 174.196 176.600 0.011 0.000 1.000 266 K CA -1.247 55.041 56.287 0.001 0.000 0.943 266 K CB 0.392 32.895 32.500 0.004 0.000 0.950 266 K HN 0.137 nan 8.250 nan 0.000 0.485 267 P HA 0.075 nan 4.420 nan 0.000 0.269 267 P C -0.805 176.507 177.300 0.020 0.000 1.209 267 P CA 0.298 63.409 63.100 0.019 0.000 0.776 267 P CB 0.513 32.226 31.700 0.021 0.000 0.876 268 D N -1.827 118.586 120.400 0.021 0.000 2.495 268 D HA -0.173 4.467 4.640 -0.001 0.000 0.175 268 D C 0.281 176.595 176.300 0.022 0.000 1.040 268 D CA 1.845 55.857 54.000 0.020 0.000 1.049 268 D CB -1.791 39.019 40.800 0.017 0.000 1.105 268 D HN 0.569 nan 8.370 nan 0.000 0.457 269 A N 0.855 123.691 122.820 0.026 0.000 2.409 269 A HA 0.480 4.799 4.320 -0.001 0.000 0.262 269 A C 0.594 178.208 177.584 0.050 0.000 1.113 269 A CA 0.346 52.403 52.037 0.033 0.000 0.790 269 A CB 0.392 19.409 19.000 0.029 0.000 1.046 269 A HN 0.049 nan 8.150 nan 0.000 0.496 270 T N 4.072 118.656 114.554 0.049 0.000 2.751 270 T HA 0.128 4.478 4.350 -0.001 0.000 0.290 270 T C 0.802 175.581 174.700 0.131 0.000 0.919 270 T CA 0.085 62.220 62.100 0.060 0.000 1.136 270 T CB -0.081 68.801 68.868 0.023 0.000 0.875 270 T HN 0.539 nan 8.240 nan 0.000 0.532 271 F N 5.254 125.165 119.950 -0.065 0.000 2.053 271 F HA 0.170 4.697 4.527 -0.001 0.000 0.292 271 F C 0.869 176.577 175.800 -0.153 0.000 1.125 271 F CA 0.524 58.469 58.000 -0.092 0.000 1.193 271 F CB -0.316 38.618 39.000 -0.111 0.000 0.996 271 F HN 0.385 nan 8.300 nan 0.000 0.470 272 V N -1.029 118.691 119.914 -0.324 0.000 2.823 272 V HA 0.633 4.752 4.120 -0.001 0.000 0.312 272 V C -0.507 175.436 176.094 -0.252 0.000 1.072 272 V CA -0.159 61.858 62.300 -0.473 0.000 0.937 272 V CB 0.980 32.241 31.823 -0.936 0.000 1.013 272 V HN 0.385 nan 8.190 nan 0.000 0.430 273 T N 1.086 115.526 114.554 -0.191 0.000 2.771 273 T HA 0.607 4.956 4.350 -0.001 0.000 0.281 273 T C -0.541 174.082 174.700 -0.128 0.000 0.982 273 T CA -0.504 61.518 62.100 -0.130 0.000 0.978 273 T CB 1.596 70.409 68.868 -0.090 0.000 0.930 273 T HN 0.862 nan 8.240 nan 0.000 0.447 274 Q N 2.061 121.795 119.800 -0.110 0.000 2.337 274 Q HA 0.342 4.681 4.340 -0.001 0.000 0.266 274 Q C -0.159 175.782 176.000 -0.098 0.000 1.023 274 Q CA -0.923 54.827 55.803 -0.089 0.000 0.829 274 Q CB 2.349 31.047 28.738 -0.066 0.000 1.306 274 Q HN 0.873 nan 8.270 nan 0.000 0.449 275 R N 1.167 121.595 120.500 -0.121 0.000 2.504 275 R HA -0.013 4.326 4.340 -0.001 0.000 0.302 275 R C -0.714 175.472 176.300 -0.190 0.000 0.893 275 R CA 0.366 56.340 56.100 -0.210 0.000 1.138 275 R CB -0.064 30.076 30.300 -0.266 0.000 0.880 275 R HN 0.344 nan 8.270 nan 0.000 0.415 276 V N 6.349 126.125 119.914 -0.230 0.000 2.667 276 V HA 0.582 4.701 4.120 -0.001 0.000 0.308 276 V C -1.230 174.672 176.094 -0.321 0.000 1.048 276 V CA -0.938 61.267 62.300 -0.158 0.000 0.928 276 V CB 1.187 32.974 31.823 -0.059 0.000 1.004 276 V HN 0.818 nan 8.190 nan 0.000 0.444 277 W N 5.935 127.090 121.300 -0.241 0.000 2.433 277 W HA 0.691 5.350 4.660 -0.001 0.000 0.315 277 W C -0.238 176.075 176.519 -0.344 0.000 1.087 277 W CA -0.461 56.569 57.345 -0.525 0.000 1.205 277 W CB 0.784 29.720 29.460 -0.874 0.000 1.288 277 W HN 0.628 nan 8.180 nan 0.000 0.504 278 F N 0.596 120.664 119.950 0.198 0.000 3.043 278 F HA -0.135 4.391 4.527 -0.001 0.000 0.290 278 F C 0.661 176.506 175.800 0.074 0.000 0.844 278 F CA 0.251 58.330 58.000 0.132 0.000 1.184 278 F CB -1.809 37.279 39.000 0.146 0.000 1.246 278 F HN 0.404 nan 8.300 nan 0.000 0.536 279 G N 0.328 109.229 108.800 0.168 0.000 2.568 279 G HA2 0.502 4.461 3.960 -0.001 0.000 0.313 279 G HA3 0.502 4.461 3.960 -0.001 0.000 0.313 279 G C 0.570 175.507 174.900 0.062 0.000 1.227 279 G CA -0.036 45.122 45.100 0.098 0.000 0.979 279 G HN 0.230 nan 8.290 nan 0.000 0.486 280 D N -0.900 119.526 120.400 0.043 0.000 2.350 280 D HA -0.038 4.602 4.640 -0.001 0.000 0.216 280 D C 0.319 176.623 176.300 0.008 0.000 0.968 280 D CA 0.829 54.844 54.000 0.026 0.000 0.894 280 D CB 0.340 41.153 40.800 0.021 0.000 0.909 280 D HN 0.215 nan 8.370 nan 0.000 0.520 281 K N -0.529 119.870 120.400 -0.002 0.000 2.435 281 K HA 0.296 4.615 4.320 -0.001 0.000 0.251 281 K C 0.514 177.083 176.600 -0.051 0.000 0.954 281 K CA -0.579 55.693 56.287 -0.024 0.000 0.820 281 K CB 2.208 34.694 32.500 -0.024 0.000 1.292 281 K HN -0.167 nan 8.250 nan 0.000 0.436 282 S N 0.184 115.839 115.700 -0.075 0.000 2.528 282 S HA 0.076 4.545 4.470 -0.001 0.000 0.219 282 S C 0.176 174.684 174.600 -0.154 0.000 0.985 282 S CA 0.126 58.247 58.200 -0.131 0.000 0.914 282 S CB 0.019 63.139 63.200 -0.133 0.000 0.776 282 S HN 0.590 nan 8.310 nan 0.000 0.526 283 E N 0.259 120.395 120.200 -0.107 0.000 2.366 283 E HA 0.569 4.918 4.350 -0.001 0.000 0.278 283 E C -1.751 174.807 176.600 -0.071 0.000 0.923 283 E CA -0.777 55.562 56.400 -0.102 0.000 0.761 283 E CB 2.613 32.256 29.700 -0.095 0.000 1.231 283 E HN 0.078 nan 8.360 nan 0.000 0.443 284 V N 1.175 121.048 119.914 -0.069 0.000 2.628 284 V HA 0.435 4.554 4.120 -0.001 0.000 0.306 284 V C -0.326 175.734 176.094 -0.057 0.000 1.045 284 V CA -1.057 61.212 62.300 -0.050 0.000 0.905 284 V CB 1.658 33.457 31.823 -0.040 0.000 0.997 284 V HN 0.627 nan 8.190 nan 0.000 0.436 285 N N 3.393 122.067 118.700 -0.042 0.000 2.458 285 N HA 0.584 5.323 4.740 -0.001 0.000 0.270 285 N C -1.068 174.419 175.510 -0.038 0.000 1.102 285 N CA -0.452 52.573 53.050 -0.041 0.000 0.967 285 N CB 0.971 39.446 38.487 -0.021 0.000 1.078 285 N HN 0.542 nan 8.380 nan 0.000 0.471 286 L N 1.228 122.415 121.223 -0.061 0.000 2.333 286 L HA 0.794 5.133 4.340 -0.001 0.000 0.269 286 L C 0.766 177.641 176.870 0.008 0.000 1.010 286 L CA -0.745 54.066 54.840 -0.049 0.000 0.818 286 L CB 1.914 43.906 42.059 -0.112 0.000 1.306 286 L HN 0.606 nan 8.230 nan 0.000 0.430 287 G N -0.214 108.618 108.800 0.054 0.000 2.634 287 G HA2 0.536 4.495 3.960 -0.001 0.000 0.309 287 G HA3 0.536 4.495 3.960 -0.001 0.000 0.309 287 G C -0.354 174.605 174.900 0.098 0.000 1.299 287 G CA 0.229 45.396 45.100 0.112 0.000 0.798 287 G HN 0.607 nan 8.290 nan 0.000 0.490 288 A N -1.641 121.224 122.820 0.074 0.000 2.197 288 A HA 0.597 4.916 4.320 -0.001 0.000 0.210 288 A C 1.835 179.445 177.584 0.044 0.000 1.180 288 A CA 1.547 53.620 52.037 0.060 0.000 0.846 288 A CB -0.793 18.245 19.000 0.064 0.000 0.884 288 A HN 2.691 nan 8.150 nan 0.000 0.487 289 G N 0.078 108.899 108.800 0.036 0.000 2.556 289 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.283 289 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.283 289 G C 0.640 175.551 174.900 0.019 0.000 1.177 289 G CA 0.371 45.486 45.100 0.025 0.000 0.978 289 G HN 0.266 nan 8.290 nan 0.000 0.554 290 E N 0.951 121.156 120.200 0.009 0.000 2.347 290 E HA 0.135 4.484 4.350 -0.001 0.000 0.196 290 E C 2.165 178.757 176.600 -0.013 0.000 1.008 290 E CA 1.161 57.559 56.400 -0.003 0.000 0.852 290 E CB -0.114 29.574 29.700 -0.021 0.000 0.783 290 E HN 0.925 nan 8.360 nan 0.000 0.505 291 A N 0.440 123.262 122.820 0.004 0.000 2.630 291 A HA 0.365 4.684 4.320 -0.001 0.000 0.290 291 A C 1.396 179.019 177.584 0.064 0.000 1.267 291 A CA 0.181 52.223 52.037 0.008 0.000 0.950 291 A CB 0.151 19.157 19.000 0.010 0.000 1.144 291 A HN 0.133 nan 8.150 nan 0.000 0.527 292 G N -0.570 108.262 108.800 0.054 0.000 3.371 292 G HA2 0.332 4.292 3.960 -0.001 0.000 0.248 292 G HA3 0.332 4.292 3.960 -0.001 0.000 0.248 292 G C 0.224 175.099 174.900 -0.041 0.000 1.161 292 G CA 0.115 45.280 45.100 0.109 0.000 0.796 292 G HN 0.343 nan 8.290 nan 0.000 0.539 293 S N -0.233 115.418 115.700 -0.081 0.000 2.554 293 S HA 0.586 5.056 4.470 -0.001 0.000 0.278 293 S C -0.073 174.377 174.600 -0.250 0.000 1.242 293 S CA -0.390 57.712 58.200 -0.163 0.000 1.051 293 S CB 1.824 64.970 63.200 -0.091 0.000 0.986 293 S HN 0.182 nan 8.310 nan 0.000 0.502 294 V N 1.966 121.672 119.914 -0.346 0.000 2.735 294 V HA 0.568 4.688 4.120 -0.001 0.000 0.310 294 V C -0.145 175.853 176.094 -0.160 0.000 1.061 294 V CA -0.965 61.141 62.300 -0.322 0.000 0.913 294 V CB 1.845 33.326 31.823 -0.569 0.000 1.005 294 V HN 0.759 nan 8.190 nan 0.000 0.428 295 T N 5.633 120.137 114.554 -0.084 0.000 2.749 295 T HA 0.725 5.075 4.350 -0.001 0.000 0.287 295 T C -0.139 174.600 174.700 0.064 0.000 0.970 295 T CA -0.060 62.034 62.100 -0.011 0.000 0.980 295 T CB 0.546 69.388 68.868 -0.043 0.000 0.924 295 T HN 0.757 nan 8.240 nan 0.000 0.456 296 I N 0.715 121.359 120.570 0.124 0.000 3.002 296 I HA 0.724 4.894 4.170 -0.001 0.000 0.310 296 I C -3.072 173.184 176.117 0.232 0.000 1.087 296 I CA -3.722 57.680 61.300 0.170 0.000 1.017 296 I CB 1.906 39.940 38.000 0.056 0.000 1.226 296 I HN 0.214 nan 8.210 nan 0.000 0.443 297 P HA 0.124 nan 4.420 nan 0.000 0.264 297 P C -0.899 176.333 177.300 -0.112 0.000 1.193 297 P CA 0.058 63.032 63.100 -0.210 0.000 0.763 297 P CB 0.369 31.947 31.700 -0.204 0.000 0.810 298 R N 2.400 122.813 120.500 -0.145 0.000 2.583 298 R HA 0.215 4.555 4.340 -0.001 0.000 0.274 298 R C 1.601 177.862 176.300 -0.064 0.000 0.998 298 R CA 1.900 57.953 56.100 -0.078 0.000 1.081 298 R CB -0.524 29.724 30.300 -0.087 0.000 0.940 298 R HN 0.872 nan 8.270 nan 0.000 0.413 299 G N 1.544 110.321 108.800 -0.038 0.000 2.254 299 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.225 299 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.225 299 G C 0.661 175.549 174.900 -0.019 0.000 1.003 299 G CA -0.205 44.879 45.100 -0.027 0.000 0.622 299 G HN 0.543 nan 8.290 nan 0.000 0.507 300 Q N -0.173 119.616 119.800 -0.019 0.000 2.282 300 Q HA 0.366 4.705 4.340 -0.001 0.000 0.206 300 Q C 2.285 178.286 176.000 0.001 0.000 0.878 300 Q CA 0.041 55.840 55.803 -0.006 0.000 0.944 300 Q CB 0.378 29.114 28.738 -0.003 0.000 1.100 300 Q HN 0.498 nan 8.270 nan 0.000 0.509 301 L N 2.426 123.646 121.223 -0.004 0.000 2.051 301 L HA -0.257 4.083 4.340 -0.001 0.000 0.214 301 L C 2.175 179.049 176.870 0.006 0.000 1.076 301 L CA 2.123 56.962 54.840 -0.003 0.000 0.758 301 L CB -0.423 41.631 42.059 -0.008 0.000 0.890 301 L HN 0.241 nan 8.230 nan 0.000 0.433 302 K N -1.543 118.861 120.400 0.007 0.000 2.283 302 K HA -0.122 4.197 4.320 -0.001 0.000 0.202 302 K C 1.090 177.701 176.600 0.019 0.000 1.048 302 K CA 1.888 58.183 56.287 0.012 0.000 0.948 302 K CB -0.586 31.919 32.500 0.009 0.000 0.742 302 K HN 0.506 nan 8.250 nan 0.000 0.458 303 N N 0.726 119.439 118.700 0.021 0.000 2.230 303 N HA 0.077 4.816 4.740 -0.001 0.000 0.202 303 N C -0.721 174.814 175.510 0.042 0.000 1.119 303 N CA -0.476 52.591 53.050 0.029 0.000 0.851 303 N CB 0.365 38.867 38.487 0.024 0.000 0.990 303 N HN 0.031 nan 8.380 nan 0.000 0.497 304 L N 1.839 123.087 121.223 0.042 0.000 2.360 304 L HA 0.203 4.542 4.340 -0.001 0.000 0.276 304 L C -0.495 176.430 176.870 0.091 0.000 1.121 304 L CA 0.177 55.054 54.840 0.063 0.000 0.845 304 L CB 0.263 42.343 42.059 0.035 0.000 1.143 304 L HN -0.100 nan 8.230 nan 0.000 0.452 305 K N 4.774 125.248 120.400 0.123 0.000 2.259 305 K HA 0.819 5.138 4.320 -0.001 0.000 0.249 305 K C -1.098 175.616 176.600 0.191 0.000 0.942 305 K CA -0.614 55.751 56.287 0.130 0.000 0.816 305 K CB 1.995 34.551 32.500 0.094 0.000 1.155 305 K HN 0.649 nan 8.250 nan 0.000 0.428 306 A N 1.147 124.065 122.820 0.164 0.000 2.356 306 A HA 0.635 4.955 4.320 -0.001 0.000 0.310 306 A C -0.421 177.240 177.584 0.127 0.000 1.075 306 A CA -0.566 51.521 52.037 0.084 0.000 0.746 306 A CB 0.871 19.884 19.000 0.020 0.000 1.221 306 A HN 0.726 nan 8.150 nan 0.000 0.443 307 S N 0.730 116.470 115.700 0.067 0.000 2.677 307 S HA 0.897 5.367 4.470 -0.001 0.000 0.304 307 S C -0.760 173.948 174.600 0.180 0.000 1.108 307 S CA -0.613 57.651 58.200 0.107 0.000 0.944 307 S CB 1.262 64.455 63.200 -0.012 0.000 1.127 307 S HN 1.530 nan 8.310 nan 0.000 0.511 308 Y N -1.603 118.722 120.300 0.042 0.000 2.492 308 Y HA 0.809 5.359 4.550 -0.001 0.000 0.346 308 Y C -0.963 174.913 175.900 -0.039 0.000 0.997 308 Y CA -0.926 57.178 58.100 0.006 0.000 1.025 308 Y CB 1.257 39.693 38.460 -0.040 0.000 1.263 308 Y HN 0.642 nan 8.280 nan 0.000 0.454 309 T N 4.741 119.320 114.554 0.041 0.000 2.856 309 T HA 0.525 4.875 4.350 -0.001 0.000 0.283 309 T C -0.632 174.131 174.700 0.105 0.000 1.008 309 T CA -0.665 61.429 62.100 -0.010 0.000 0.997 309 T CB 1.346 70.198 68.868 -0.027 0.000 0.992 309 T HN 0.657 nan 8.240 nan 0.000 0.454 310 L N 2.923 124.198 121.223 0.088 0.000 2.276 310 L HA 0.272 4.611 4.340 -0.001 0.000 0.286 310 L C 2.190 179.080 176.870 0.033 0.000 1.061 310 L CA -0.464 54.420 54.840 0.074 0.000 0.807 310 L CB 1.219 43.326 42.059 0.080 0.000 1.177 310 L HN 0.962 nan 8.230 nan 0.000 0.429 311 T N -0.605 113.966 114.554 0.028 0.000 2.720 311 T HA -0.114 4.235 4.350 -0.001 0.000 0.268 311 T C 0.697 175.404 174.700 0.011 0.000 1.037 311 T CA 0.931 63.040 62.100 0.015 0.000 1.144 311 T CB 0.018 68.894 68.868 0.014 0.000 0.864 311 T HN 0.504 nan 8.240 nan 0.000 0.444 312 E N 1.648 121.858 120.200 0.017 0.000 2.129 312 E HA 0.261 4.610 4.350 -0.001 0.000 0.268 312 E C -1.928 174.683 176.600 0.019 0.000 0.900 312 E CA -2.478 53.930 56.400 0.013 0.000 0.755 312 E CB 2.005 31.713 29.700 0.014 0.000 1.117 312 E HN 0.101 nan 8.360 nan 0.000 0.410 313 P HA -0.226 nan 4.420 nan 0.000 0.219 313 P C -0.422 176.900 177.300 0.036 0.000 1.151 313 P CA 1.556 64.664 63.100 0.013 0.000 0.850 313 P CB 0.174 31.871 31.700 -0.005 0.000 0.784 314 Q N -3.476 116.345 119.800 0.036 0.000 2.575 314 Q HA 0.555 4.894 4.340 -0.001 0.000 0.290 314 Q C -1.602 174.455 176.000 0.096 0.000 0.963 314 Q CA -1.141 54.718 55.803 0.094 0.000 0.783 314 Q CB 0.785 29.601 28.738 0.130 0.000 1.467 314 Q HN -0.302 nan 8.270 nan 0.000 0.402 315 L N 2.017 123.346 121.223 0.177 0.000 2.287 315 L HA 0.579 4.918 4.340 -0.001 0.000 0.287 315 L C -0.344 176.639 176.870 0.188 0.000 1.022 315 L CA 0.117 55.035 54.840 0.130 0.000 0.814 315 L CB 1.599 43.705 42.059 0.079 0.000 1.217 315 L HN 0.913 nan 8.230 nan 0.000 0.420 316 T N 0.680 115.306 114.554 0.120 0.000 2.855 316 T HA 0.858 5.207 4.350 -0.001 0.000 0.281 316 T C 0.220 174.992 174.700 0.120 0.000 1.007 316 T CA -0.773 61.410 62.100 0.139 0.000 1.009 316 T CB 1.653 70.601 68.868 0.133 0.000 0.983 316 T HN 0.714 nan 8.240 nan 0.000 0.455 317 A N 4.211 127.114 122.820 0.139 0.000 2.492 317 A HA 0.563 4.882 4.320 -0.001 0.000 0.236 317 A C -1.818 175.832 177.584 0.111 0.000 1.078 317 A CA -0.971 51.134 52.037 0.114 0.000 0.773 317 A CB -0.725 18.349 19.000 0.125 0.000 1.023 317 A HN 0.810 nan 8.150 nan 0.000 0.504 318 P HA 0.604 nan 4.420 nan 0.000 0.281 318 P C -1.386 175.941 177.300 0.046 0.000 1.264 318 P CA -0.433 62.702 63.100 0.059 0.000 0.824 318 P CB 1.024 32.752 31.700 0.046 0.000 1.092 319 L N 1.031 122.276 121.223 0.036 0.000 2.438 319 L HA 0.434 4.773 4.340 -0.001 0.000 0.270 319 L C 0.015 176.898 176.870 0.021 0.000 0.972 319 L CA -0.401 54.455 54.840 0.028 0.000 0.831 319 L CB 1.855 43.928 42.059 0.024 0.000 1.273 319 L HN 0.311 nan 8.230 nan 0.000 0.405 320 K N 2.615 123.026 120.400 0.019 0.000 2.206 320 K HA 0.358 4.678 4.320 -0.001 0.000 0.264 320 K C -0.374 176.234 176.600 0.014 0.000 0.967 320 K CA -0.927 55.370 56.287 0.016 0.000 0.844 320 K CB 1.782 34.292 32.500 0.016 0.000 1.099 320 K HN 0.413 nan 8.250 nan 0.000 0.441 321 K N 1.014 121.421 120.400 0.012 0.000 2.511 321 K HA -0.164 4.156 4.320 -0.001 0.000 0.277 321 K C 0.705 177.313 176.600 0.013 0.000 1.025 321 K CA 1.559 57.853 56.287 0.012 0.000 1.112 321 K CB -0.112 32.395 32.500 0.012 0.000 0.859 321 K HN 0.864 nan 8.250 nan 0.000 0.485 322 G N 2.530 111.338 108.800 0.013 0.000 2.213 322 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.236 322 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.236 322 G C 0.022 174.930 174.900 0.013 0.000 0.991 322 G CA 0.291 45.399 45.100 0.014 0.000 0.629 322 G HN 0.689 nan 8.290 nan 0.000 0.517 323 Q N 0.849 120.657 119.800 0.013 0.000 2.300 323 Q HA 0.430 4.769 4.340 -0.001 0.000 0.280 323 Q C 0.175 176.183 176.000 0.014 0.000 1.033 323 Q CA -0.116 55.696 55.803 0.014 0.000 0.903 323 Q CB 0.745 29.492 28.738 0.015 0.000 1.195 323 Q HN 0.265 nan 8.270 nan 0.000 0.386 324 V N 5.550 125.472 119.914 0.014 0.000 2.432 324 V HA 0.102 4.221 4.120 -0.001 0.000 0.271 324 V C 0.412 176.517 176.094 0.017 0.000 1.046 324 V CA -0.135 62.175 62.300 0.016 0.000 0.945 324 V CB 1.315 33.146 31.823 0.014 0.000 0.992 324 V HN 0.797 nan 8.190 nan 0.000 0.471 325 V N 3.612 123.538 119.914 0.020 0.000 3.382 325 V HA 0.634 4.753 4.120 -0.001 0.000 0.296 325 V C 0.730 176.842 176.094 0.030 0.000 1.529 325 V CA 1.084 63.397 62.300 0.022 0.000 1.048 325 V CB 0.500 32.333 31.823 0.016 0.000 0.878 325 V HN 1.043 nan 8.190 nan 0.000 0.442 326 G N -0.445 108.377 108.800 0.036 0.000 2.435 326 G HA2 0.415 4.375 3.960 -0.001 0.000 0.228 326 G HA3 0.415 4.375 3.960 -0.001 0.000 0.228 326 G C -1.003 173.925 174.900 0.047 0.000 1.198 326 G CA 0.381 45.509 45.100 0.047 0.000 0.948 326 G HN 0.002 nan 8.290 nan 0.000 0.487 327 T N 0.387 114.978 114.554 0.061 0.000 2.900 327 T HA 0.666 5.015 4.350 -0.001 0.000 0.295 327 T C -0.683 174.053 174.700 0.060 0.000 1.044 327 T CA -0.261 61.864 62.100 0.042 0.000 0.995 327 T CB 1.706 70.584 68.868 0.017 0.000 1.072 327 T HN 0.508 nan 8.240 nan 0.000 0.473 328 I N 2.130 122.700 120.570 -0.000 0.000 2.378 328 I HA 0.401 4.570 4.170 -0.001 0.000 0.291 328 I C -0.751 175.229 176.117 -0.228 0.000 0.992 328 I CA -0.706 60.536 61.300 -0.096 0.000 1.154 328 I CB 1.655 39.525 38.000 -0.217 0.000 1.315 328 I HN 0.503 nan 8.210 nan 0.000 0.448 329 D N 6.557 126.821 120.400 -0.227 0.000 2.414 329 D HA 0.373 5.013 4.640 -0.001 0.000 0.232 329 D C -1.054 175.106 176.300 -0.233 0.000 1.070 329 D CA -0.240 53.660 54.000 -0.167 0.000 0.839 329 D CB 0.741 41.507 40.800 -0.055 0.000 1.079 329 D HN 0.123 nan 8.370 nan 0.000 0.521 330 F N 2.492 122.461 119.950 0.032 0.000 2.420 330 F HA 0.354 4.880 4.527 -0.001 0.000 0.352 330 F C 0.934 176.750 175.800 0.026 0.000 1.108 330 F CA -0.354 57.659 58.000 0.021 0.000 1.162 330 F CB 1.075 40.078 39.000 0.005 0.000 1.118 330 F HN 0.132 nan 8.300 nan 0.000 0.510 331 Q N 3.049 122.973 119.800 0.208 0.000 2.433 331 Q HA 0.671 5.010 4.340 -0.001 0.000 0.279 331 Q C -0.928 175.140 176.000 0.113 0.000 1.105 331 Q CA -0.901 54.978 55.803 0.127 0.000 0.815 331 Q CB 3.058 31.845 28.738 0.082 0.000 1.403 331 Q HN 0.588 nan 8.270 nan 0.000 0.435 335 K N 1.572 121.996 120.400 0.040 0.000 2.159 335 K HA 0.582 4.901 4.320 -0.001 0.000 0.266 335 K C -0.493 176.139 176.600 0.055 0.000 0.975 335 K CA -0.226 56.086 56.287 0.042 0.000 0.865 335 K CB 1.937 34.462 32.500 0.042 0.000 1.087 335 K HN 0.231 nan 8.250 nan 0.000 0.446 336 S N 2.874 118.603 115.700 0.050 0.000 2.516 336 S HA 0.071 4.540 4.470 -0.001 0.000 0.282 336 S C 1.130 175.775 174.600 0.074 0.000 1.286 336 S CA -0.442 57.795 58.200 0.062 0.000 1.066 336 S CB 0.022 63.248 63.200 0.044 0.000 0.884 336 S HN 0.591 nan 8.310 nan 0.000 0.491 337 I N 1.207 121.838 120.570 0.102 0.000 4.070 337 I HA 0.555 4.725 4.170 -0.001 0.000 0.328 337 I C 0.289 176.468 176.117 0.104 0.000 1.298 337 I CA -0.143 61.216 61.300 0.099 0.000 1.173 337 I CB 0.193 38.255 38.000 0.104 0.000 1.051 337 I HN 0.537 nan 8.210 nan 0.000 0.409 338 E N 1.550 121.834 120.200 0.140 0.000 2.647 338 E HA 0.279 4.628 4.350 -0.001 0.000 0.320 338 E C -1.535 175.167 176.600 0.169 0.000 0.951 338 E CA -0.407 56.092 56.400 0.164 0.000 0.809 338 E CB 1.455 31.283 29.700 0.214 0.000 1.295 338 E HN 0.274 nan 8.360 nan 0.000 0.407 339 Q N 3.410 123.266 119.800 0.095 0.000 2.333 339 Q HA 0.551 4.891 4.340 -0.001 0.000 0.267 339 Q C -0.678 175.349 176.000 0.045 0.000 1.012 339 Q CA -0.999 54.830 55.803 0.042 0.000 0.824 339 Q CB 1.978 30.728 28.738 0.020 0.000 1.290 339 Q HN 0.292 nan 8.270 nan 0.000 0.449 340 R N 1.598 122.111 120.500 0.021 0.000 2.836 340 R HA 0.580 4.919 4.340 -0.001 0.000 0.269 340 R C -2.751 173.559 176.300 0.017 0.000 1.010 340 R CA -2.371 53.751 56.100 0.036 0.000 0.930 340 R CB 1.052 31.406 30.300 0.089 0.000 1.218 340 R HN 0.416 nan 8.270 nan 0.000 0.473 341 P HA 0.186 nan 4.420 nan 0.000 0.275 341 P C -0.636 176.685 177.300 0.036 0.000 1.227 341 P CA -0.599 62.516 63.100 0.024 0.000 0.781 341 P CB 0.544 32.256 31.700 0.019 0.000 0.906 342 L N 5.192 126.441 121.223 0.044 0.000 2.265 342 L HA 0.473 4.813 4.340 -0.001 0.000 0.288 342 L C -0.392 176.498 176.870 0.033 0.000 1.058 342 L CA -0.283 54.590 54.840 0.055 0.000 0.809 342 L CB -0.377 41.722 42.059 0.067 0.000 1.179 342 L HN 0.268 nan 8.230 nan 0.000 0.429 343 I N 2.831 123.419 120.570 0.031 0.000 2.603 343 I HA 0.549 4.718 4.170 -0.001 0.000 0.300 343 I C -0.453 175.671 176.117 0.013 0.000 1.017 343 I CA -1.209 60.104 61.300 0.021 0.000 1.098 343 I CB 1.872 39.885 38.000 0.021 0.000 1.279 343 I HN 0.183 nan 8.210 nan 0.000 0.437 344 V N 6.094 126.013 119.914 0.008 0.000 2.673 344 V HA -0.000 4.119 4.120 -0.001 0.000 0.303 344 V C 1.234 177.332 176.094 0.006 0.000 1.046 344 V CA 0.467 62.768 62.300 0.003 0.000 1.126 344 V CB 0.991 32.817 31.823 0.005 0.000 0.934 344 V HN 0.864 nan 8.190 nan 0.000 0.487 345 M N 2.680 122.281 119.600 0.002 0.000 2.325 345 M HA 0.104 4.584 4.480 -0.001 0.000 0.265 345 M C 0.396 176.699 176.300 0.006 0.000 1.094 345 M CA 1.040 56.344 55.300 0.007 0.000 1.161 345 M CB 0.242 32.845 32.600 0.005 0.000 1.358 345 M HN 0.816 nan 8.290 nan 0.000 0.446 346 E N -0.145 120.056 120.200 0.002 0.000 2.299 346 E HA 0.347 4.696 4.350 -0.001 0.000 0.265 346 E C -1.125 175.478 176.600 0.004 0.000 0.911 346 E CA -0.749 55.653 56.400 0.003 0.000 0.789 346 E CB 0.564 30.264 29.700 -0.001 0.000 1.246 346 E HN 0.038 nan 8.360 nan 0.000 0.427 347 N N 0.028 118.732 118.700 0.007 0.000 2.492 347 N HA 0.329 5.068 4.740 -0.001 0.000 0.260 347 N C -1.113 174.402 175.510 0.009 0.000 1.215 347 N CA -0.252 52.803 53.050 0.010 0.000 0.923 347 N CB 0.976 39.470 38.487 0.011 0.000 1.092 347 N HN 0.382 nan 8.380 nan 0.000 0.448 348 V N 0.452 120.375 119.914 0.014 0.000 2.488 348 V HA 0.379 4.498 4.120 -0.001 0.000 0.293 348 V C -0.441 175.670 176.094 0.028 0.000 1.027 348 V CA -0.848 61.462 62.300 0.017 0.000 0.862 348 V CB 1.296 33.127 31.823 0.012 0.000 1.008 348 V HN 0.650 nan 8.190 nan 0.000 0.428 349 E N 3.434 123.652 120.200 0.029 0.000 2.345 349 E HA 0.380 4.730 4.350 -0.001 0.000 0.259 349 E C -0.326 176.305 176.600 0.051 0.000 1.117 349 E CA -0.662 55.760 56.400 0.037 0.000 0.913 349 E CB 1.207 30.925 29.700 0.029 0.000 1.057 349 E HN 0.825 nan 8.360 nan 0.000 0.432 350 E N 0.368 120.604 120.200 0.061 0.000 2.467 350 E HA 0.129 4.478 4.350 -0.001 0.000 0.264 350 E C 0.578 177.219 176.600 0.069 0.000 1.020 350 E CA 0.271 56.720 56.400 0.082 0.000 0.945 350 E CB 0.282 30.024 29.700 0.070 0.000 0.942 350 E HN 0.609 nan 8.360 nan 0.000 0.449 351 G N 0.669 109.523 108.800 0.090 0.000 2.508 351 G HA2 0.583 4.543 3.960 -0.001 0.000 0.278 351 G HA3 0.583 4.543 3.960 -0.001 0.000 0.278 351 G C 0.133 175.061 174.900 0.047 0.000 1.389 351 G CA 0.036 45.178 45.100 0.071 0.000 1.050 351 G HN 0.732 nan 8.290 nan 0.000 0.522 352 G N 0.000 108.823 108.800 0.039 0.000 5.446 352 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 352 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 352 G CA 0.000 45.114 45.100 0.024 0.000 0.502 352 G HN 0.000 nan 8.290 nan 0.000 0.925