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 3fzj_1_J DATA FIRST_RESID 1 DATA SEQUENCE MLKLQTLQAL ICIEEVGSLR AAAQLLHLSQ PALSAAIQQL EDELKAPLLV DATA SEQUENCE RTKRGVSLTS FGQAFMKHAR LIVTESRRAQ EEIGQLRGRW EGHITFAASP DATA SEQUENCE AIALAALPLA LASFAREFPD VTVNVRDGMY PAVSPQLRDG TLDFALTAAH DATA SEQUENCE KHDIDTDLEA QPLYVSDVVI VGQRQHPMAN ATRLAELQEC RWAFSSAPRG DATA SEQUENCE PGAIIRNAFA RYGLPEPKLG LVCESFLALP GVVAHSDLLT TMPRTLYERN DATA SEQUENCE AFKDQLCSIP LQDALPNPTI YVLRRHDLPV TPAAAGLIRW IQHHAL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 L N 3.442 124.693 121.223 0.047 0.000 2.483 2 L HA 0.244 4.584 4.340 -0.000 0.000 0.276 2 L C -0.010 176.893 176.870 0.056 0.000 1.213 2 L CA 0.339 55.223 54.840 0.075 0.000 0.843 2 L CB 0.269 42.406 42.059 0.131 0.000 1.107 2 L HN 0.604 nan 8.230 nan 0.000 0.487 3 K N 2.011 122.446 120.400 0.059 0.000 2.358 3 K HA 0.194 4.514 4.320 -0.000 0.000 0.260 3 K C 0.577 177.209 176.600 0.053 0.000 0.956 3 K CA -0.739 55.575 56.287 0.044 0.000 0.834 3 K CB 1.583 34.102 32.500 0.031 0.000 1.102 3 K HN 0.425 nan 8.250 nan 0.000 0.431 4 L N 4.403 125.651 121.223 0.042 0.000 2.042 4 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 4 L C 2.328 179.221 176.870 0.038 0.000 1.076 4 L CA 1.999 56.861 54.840 0.038 0.000 0.749 4 L CB -0.411 41.663 42.059 0.025 0.000 0.893 4 L HN 0.892 nan 8.230 nan 0.000 0.432 5 Q N -1.383 118.436 119.800 0.032 0.000 2.135 5 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 5 Q C 1.826 177.848 176.000 0.037 0.000 0.981 5 Q CA 2.340 58.160 55.803 0.029 0.000 0.856 5 Q CB -0.101 28.650 28.738 0.022 0.000 0.902 5 Q HN 0.617 nan 8.270 nan 0.000 0.425 6 T N 1.424 116.005 114.554 0.046 0.000 2.821 6 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 6 T C 1.826 176.577 174.700 0.085 0.000 1.046 6 T CA 0.947 63.080 62.100 0.055 0.000 1.139 6 T CB -0.114 68.784 68.868 0.050 0.000 0.871 6 T HN 0.250 nan 8.240 nan 0.000 0.454 7 L N 0.804 122.089 121.223 0.103 0.000 2.012 7 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 7 L C 2.894 179.811 176.870 0.078 0.000 1.073 7 L CA 1.542 56.458 54.840 0.126 0.000 0.748 7 L CB -0.715 41.400 42.059 0.095 0.000 0.891 7 L HN 0.326 nan 8.230 nan 0.000 0.431 8 Q N -0.201 119.628 119.800 0.049 0.000 2.124 8 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 8 Q C 2.434 178.454 176.000 0.034 0.000 0.977 8 Q CA 1.615 57.436 55.803 0.030 0.000 0.850 8 Q CB -0.277 28.473 28.738 0.019 0.000 0.901 8 Q HN 0.563 nan 8.270 nan 0.000 0.429 9 A N 0.740 123.584 122.820 0.040 0.000 1.902 9 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 9 A C 2.027 179.638 177.584 0.044 0.000 1.181 9 A CA 1.104 53.163 52.037 0.036 0.000 0.623 9 A CB -0.549 18.470 19.000 0.033 0.000 0.818 9 A HN 0.336 nan 8.150 nan 0.000 0.443 10 L N -0.073 121.190 121.223 0.066 0.000 2.056 10 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 10 L C 2.218 179.130 176.870 0.070 0.000 1.078 10 L CA 1.620 56.509 54.840 0.082 0.000 0.749 10 L CB -0.449 41.696 42.059 0.142 0.000 0.901 10 L HN 0.433 nan 8.230 nan 0.000 0.433 11 I N -1.563 119.043 120.570 0.059 0.000 2.163 11 I HA -0.392 3.778 4.170 -0.000 0.000 0.243 11 I C 2.770 178.901 176.117 0.024 0.000 1.085 11 I CA 1.512 62.833 61.300 0.035 0.000 1.347 11 I CB -0.577 37.434 38.000 0.018 0.000 1.044 11 I HN 0.478 nan 8.210 nan 0.000 0.408 12 C N 1.185 120.498 119.300 0.022 0.000 2.413 12 C HA -0.166 4.294 4.460 -0.000 0.000 0.276 12 C C 2.767 177.768 174.990 0.018 0.000 1.248 12 C CA 0.828 59.855 59.018 0.016 0.000 1.742 12 C CB -0.909 26.840 27.740 0.014 0.000 2.017 12 C HN 0.408 nan 8.230 nan 0.000 0.481 13 I N 0.851 121.436 120.570 0.025 0.000 2.163 13 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 13 I C 2.588 178.719 176.117 0.023 0.000 1.085 13 I CA 2.268 63.583 61.300 0.024 0.000 1.347 13 I CB -0.667 37.351 38.000 0.030 0.000 1.044 13 I HN 0.440 nan 8.210 nan 0.000 0.408 14 E N 1.387 121.604 120.200 0.029 0.000 2.085 14 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 14 E C 1.983 178.592 176.600 0.015 0.000 0.994 14 E CA 1.542 57.957 56.400 0.025 0.000 0.801 14 E CB -0.140 29.579 29.700 0.032 0.000 0.743 14 E HN 0.354 nan 8.360 nan 0.000 0.453 15 E N -0.166 120.042 120.200 0.012 0.000 2.085 15 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 15 E C 2.159 178.762 176.600 0.005 0.000 0.994 15 E CA 1.948 58.352 56.400 0.006 0.000 0.801 15 E CB -0.112 29.590 29.700 0.003 0.000 0.743 15 E HN 0.491 nan 8.360 nan 0.000 0.453 16 V N -4.092 115.826 119.914 0.008 0.000 3.621 16 V HA 0.449 4.569 4.120 -0.000 0.000 0.263 16 V C 1.442 177.540 176.094 0.007 0.000 1.272 16 V CA 0.771 63.075 62.300 0.006 0.000 1.080 16 V CB 0.350 32.177 31.823 0.007 0.000 0.816 16 V HN 0.246 nan 8.190 nan 0.000 0.451 17 G N -0.257 108.548 108.800 0.009 0.000 2.162 17 G HA2 0.002 3.962 3.960 -0.000 0.000 0.260 17 G HA3 0.002 3.962 3.960 -0.000 0.000 0.260 17 G C 0.227 175.133 174.900 0.009 0.000 0.976 17 G CA 0.782 45.888 45.100 0.009 0.000 0.655 17 G HN 1.643 nan 8.290 nan 0.000 0.533 18 S N -2.211 113.495 115.700 0.010 0.000 2.546 18 S HA 0.984 5.454 4.470 -0.000 0.000 0.274 18 S C 1.395 176.001 174.600 0.010 0.000 1.121 18 S CA 0.119 58.324 58.200 0.009 0.000 0.887 18 S CB 0.985 64.190 63.200 0.007 0.000 1.094 18 S HN 1.754 nan 8.310 nan 0.000 0.474 19 L N 1.445 122.674 121.223 0.010 0.000 2.027 19 L HA 0.246 4.586 4.340 -0.000 0.000 0.206 19 L C 2.942 179.817 176.870 0.009 0.000 1.074 19 L CA 2.845 57.691 54.840 0.010 0.000 0.745 19 L CB -2.438 39.627 42.059 0.009 0.000 0.898 19 L HN 1.259 nan 8.230 nan 0.000 0.433 20 R N -0.209 120.296 120.500 0.007 0.000 2.091 20 R HA 0.079 4.419 4.340 -0.000 0.000 0.238 20 R C 2.639 178.943 176.300 0.007 0.000 1.136 20 R CA 2.680 58.784 56.100 0.006 0.000 0.959 20 R CB -1.703 nan 30.300 nan 0.000 0.856 20 R HN 1.261 nan 8.270 nan 0.000 0.437 21 A N 0.513 123.338 122.820 0.007 0.000 1.930 21 A HA 0.300 4.620 4.320 -0.000 0.000 0.217 21 A C 2.805 180.394 177.584 0.008 0.000 1.175 21 A CA 1.806 53.847 52.037 0.007 0.000 0.627 21 A CB -0.730 18.274 19.000 0.006 0.000 0.815 21 A HN 0.927 nan 8.150 nan 0.000 0.443 22 A N -0.046 122.779 122.820 0.009 0.000 1.873 22 A HA 0.221 4.541 4.320 -0.000 0.000 0.215 22 A C 2.523 180.113 177.584 0.010 0.000 1.186 22 A CA 1.911 53.955 52.037 0.011 0.000 0.616 22 A CB -1.128 17.880 19.000 0.013 0.000 0.823 22 A HN 1.071 nan 8.150 nan 0.000 0.442 23 A N -1.175 121.651 122.820 0.010 0.000 1.917 23 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 23 A C 2.430 180.019 177.584 0.008 0.000 1.182 23 A CA 3.050 55.092 52.037 0.009 0.000 0.633 23 A CB -1.263 17.742 19.000 0.008 0.000 0.819 23 A HN 0.889 nan 8.150 nan 0.000 0.448 24 Q N -1.422 118.383 119.800 0.008 0.000 2.061 24 Q HA 0.040 4.380 4.340 -0.000 0.000 0.204 24 Q C 2.609 178.613 176.000 0.008 0.000 0.984 24 Q CA 3.089 58.896 55.803 0.007 0.000 0.846 24 Q CB -1.831 nan 28.738 nan 0.000 0.902 24 Q HN 1.480 nan 8.270 nan 0.000 0.421 25 L N -0.264 120.964 121.223 0.008 0.000 2.083 25 L HA 0.399 4.739 4.340 -0.000 0.000 0.209 25 L C 3.033 179.908 176.870 0.009 0.000 1.083 25 L CA 2.512 57.357 54.840 0.008 0.000 0.752 25 L CB -1.786 nan 42.059 nan 0.000 0.899 25 L HN 1.099 nan 8.230 nan 0.000 0.433 26 L N -2.008 119.221 121.223 0.009 0.000 2.612 26 L HA 0.448 4.788 4.340 -0.000 0.000 0.230 26 L C 1.863 178.739 176.870 0.010 0.000 1.140 26 L CA 1.582 56.428 54.840 0.010 0.000 0.896 26 L CB -2.607 nan 42.059 nan 0.000 1.065 26 L HN 2.239 nan 8.230 nan 0.000 0.447 27 H N -3.057 116.019 119.070 0.009 0.000 2.677 27 H HA 0.357 4.913 4.556 -0.000 0.000 0.321 27 H C 0.072 175.405 175.328 0.008 0.000 1.171 27 H CA 0.695 56.748 56.048 0.009 0.000 1.139 27 H CB -2.752 nan 29.762 nan 0.000 1.515 27 H HN 2.563 nan 8.280 nan 0.000 0.423 28 L N 0.172 121.399 121.223 0.008 0.000 2.393 28 L HA 0.957 5.297 4.340 -0.000 0.000 0.260 28 L C 0.868 177.742 176.870 0.007 0.000 1.002 28 L CA -0.089 54.756 54.840 0.008 0.000 0.818 28 L CB 1.135 nan 42.059 nan 0.000 1.369 28 L HN 1.933 nan 8.230 nan 0.000 0.412 29 S N 0.980 116.684 115.700 0.006 0.000 2.546 29 S HA 0.372 4.841 4.470 -0.000 0.000 0.290 29 S C 1.508 176.112 174.600 0.005 0.000 1.290 29 S CA 1.237 59.440 58.200 0.005 0.000 1.069 29 S CB 0.896 64.098 63.200 0.005 0.000 0.846 29 S HN 2.247 nan 8.310 nan 0.000 0.495 30 Q N 4.488 124.291 119.800 0.005 0.000 2.152 30 Q HA -0.065 4.275 4.340 -0.000 0.000 0.206 30 Q C -0.502 175.500 176.000 0.005 0.000 0.985 30 Q CA 2.075 57.881 55.803 0.005 0.000 0.863 30 Q CB -2.517 nan 28.738 nan 0.000 0.904 30 Q HN 0.917 nan 8.270 nan 0.000 0.422 31 P HA 0.167 nan 4.420 nan 0.000 0.221 31 P C 1.431 178.733 177.300 0.003 0.000 1.155 31 P CA 1.331 64.432 63.100 0.003 0.000 0.812 31 P CB -0.051 31.650 31.700 0.002 0.000 0.801 32 A N 0.082 122.905 122.820 0.004 0.000 1.902 32 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 32 A C 2.092 179.679 177.584 0.005 0.000 1.181 32 A CA 1.421 53.461 52.037 0.004 0.000 0.623 32 A CB -1.615 17.388 19.000 0.005 0.000 0.818 32 A HN 0.144 nan 8.150 nan 0.000 0.443 33 L N 0.050 121.277 121.223 0.007 0.000 2.012 33 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 33 L C 2.529 179.403 176.870 0.007 0.000 1.073 33 L CA 2.640 57.485 54.840 0.008 0.000 0.748 33 L CB -0.963 41.102 42.059 0.010 0.000 0.891 33 L HN 0.299 nan 8.230 nan 0.000 0.431 34 S N -0.268 115.435 115.700 0.004 0.000 2.359 34 S HA -0.221 4.249 4.470 -0.000 0.000 0.224 34 S C 2.105 176.704 174.600 -0.001 0.000 1.035 34 S CA 1.232 59.433 58.200 0.002 0.000 1.018 34 S CB -0.706 62.495 63.200 0.001 0.000 0.876 34 S HN 0.710 nan 8.310 nan 0.000 0.448 35 A N 1.648 124.467 122.820 -0.001 0.000 1.884 35 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 35 A C 2.372 179.954 177.584 -0.004 0.000 1.197 35 A CA 2.175 54.211 52.037 -0.003 0.000 0.637 35 A CB -1.296 17.703 19.000 -0.001 0.000 0.827 35 A HN 0.569 nan 8.150 nan 0.000 0.450 36 A N -0.289 122.531 122.820 0.000 0.000 1.877 36 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 36 A C 2.050 179.633 177.584 -0.003 0.000 1.186 36 A CA 1.646 53.684 52.037 0.002 0.000 0.620 36 A CB -0.507 18.498 19.000 0.009 0.000 0.822 36 A HN 0.446 nan 8.150 nan 0.000 0.443 37 I N -0.471 120.098 120.570 -0.002 0.000 2.179 37 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 37 I C 2.608 178.710 176.117 -0.025 0.000 1.088 37 I CA 1.832 63.127 61.300 -0.009 0.000 1.357 37 I CB -1.496 36.504 38.000 -0.001 0.000 1.051 37 I HN 0.368 nan 8.210 nan 0.000 0.409 38 Q N 1.013 120.801 119.800 -0.020 0.000 2.181 38 Q HA -0.238 4.102 4.340 -0.000 0.000 0.205 38 Q C 2.224 178.203 176.000 -0.034 0.000 0.980 38 Q CA 1.663 57.450 55.803 -0.026 0.000 0.862 38 Q CB -0.310 28.417 28.738 -0.018 0.000 0.905 38 Q HN 0.496 nan 8.270 nan 0.000 0.429 39 Q N -0.971 118.812 119.800 -0.028 0.000 2.050 39 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 39 Q C 1.856 177.829 176.000 -0.045 0.000 0.980 39 Q CA 1.474 57.260 55.803 -0.029 0.000 0.840 39 Q CB -0.198 28.529 28.738 -0.017 0.000 0.898 39 Q HN 0.439 nan 8.270 nan 0.000 0.424 40 L N 0.964 122.156 121.223 -0.052 0.000 2.046 40 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 40 L C 1.709 178.498 176.870 -0.135 0.000 1.077 40 L CA 1.879 56.666 54.840 -0.088 0.000 0.747 40 L CB -0.304 41.702 42.059 -0.088 0.000 0.896 40 L HN 0.214 nan 8.230 nan 0.000 0.432 41 E N -0.661 119.469 120.200 -0.117 0.000 2.047 41 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 41 E C 1.795 178.329 176.600 -0.111 0.000 0.987 41 E CA 1.269 57.593 56.400 -0.126 0.000 0.799 41 E CB -0.161 29.487 29.700 -0.086 0.000 0.752 41 E HN 0.505 nan 8.360 nan 0.000 0.449 42 D N 0.682 121.035 120.400 -0.079 0.000 2.123 42 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 42 D C 1.789 178.045 176.300 -0.074 0.000 0.992 42 D CA 1.096 55.056 54.000 -0.066 0.000 0.833 42 D CB -0.092 40.680 40.800 -0.047 0.000 0.954 42 D HN 0.178 nan 8.370 nan 0.000 0.455 43 E N -0.205 119.950 120.200 -0.075 0.000 2.046 43 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 43 E C 2.098 178.643 176.600 -0.093 0.000 0.982 43 E CA 0.228 56.585 56.400 -0.071 0.000 0.800 43 E CB -0.018 29.649 29.700 -0.055 0.000 0.756 43 E HN 0.191 nan 8.360 nan 0.000 0.449 44 L N 0.641 121.786 121.223 -0.130 0.000 2.450 44 L HA -0.108 4.232 4.340 -0.000 0.000 0.224 44 L C 0.606 177.368 176.870 -0.180 0.000 1.149 44 L CA 0.823 55.564 54.840 -0.165 0.000 0.816 44 L CB -0.292 41.619 42.059 -0.247 0.000 0.932 44 L HN 0.147 nan 8.230 nan 0.000 0.449 45 K N -0.659 119.647 120.400 -0.156 0.000 3.035 45 K HA -0.197 4.123 4.320 -0.000 0.000 0.262 45 K C -0.145 176.312 176.600 -0.239 0.000 1.024 45 K CA 0.400 56.592 56.287 -0.157 0.000 0.748 45 K CB -1.536 30.889 32.500 -0.125 0.000 1.247 45 K HN 0.415 nan 8.250 nan 0.000 0.482 46 A N 0.487 123.139 122.820 -0.281 0.000 2.488 46 A HA 0.572 4.892 4.320 -0.000 0.000 0.298 46 A C -2.708 174.752 177.584 -0.206 0.000 1.044 46 A CA -1.429 50.355 52.037 -0.421 0.000 0.693 46 A CB 1.304 19.823 19.000 -0.801 0.000 1.272 46 A HN -0.059 nan 8.150 nan 0.000 0.402 47 P HA 0.268 nan 4.420 nan 0.000 0.271 47 P C 0.156 177.529 177.300 0.121 0.000 1.220 47 P CA -0.009 63.119 63.100 0.046 0.000 0.768 47 P CB 0.895 32.656 31.700 0.100 0.000 0.848 48 L N 2.027 123.276 121.223 0.043 0.000 2.470 48 L HA 0.242 4.582 4.340 -0.000 0.000 0.219 48 L C 0.936 177.844 176.870 0.063 0.000 1.071 48 L CA 0.437 55.310 54.840 0.055 0.000 0.850 48 L CB -0.047 41.995 42.059 -0.027 0.000 1.040 48 L HN 0.284 nan 8.230 nan 0.000 0.475 49 L N 0.222 121.471 121.223 0.044 0.000 2.341 49 L HA 0.594 4.934 4.340 -0.000 0.000 0.267 49 L C -0.895 175.995 176.870 0.033 0.000 1.009 49 L CA -1.003 53.859 54.840 0.036 0.000 0.819 49 L CB 2.481 44.555 42.059 0.025 0.000 1.323 49 L HN -0.280 nan 8.230 nan 0.000 0.425 50 V N -1.740 118.189 119.914 0.025 0.000 2.638 50 V HA 0.746 4.866 4.120 -0.000 0.000 0.306 50 V C 0.066 176.168 176.094 0.013 0.000 1.052 50 V CA -0.936 61.376 62.300 0.019 0.000 0.885 50 V CB 1.326 33.158 31.823 0.016 0.000 0.999 50 V HN 0.847 nan 8.190 nan 0.000 0.424 51 R N 1.636 122.143 120.500 0.011 0.000 2.421 51 R HA 0.611 4.951 4.340 -0.000 0.000 0.305 51 R C 0.516 176.820 176.300 0.006 0.000 1.039 51 R CA 0.478 56.583 56.100 0.008 0.000 1.003 51 R CB -0.546 nan 30.300 nan 0.000 0.959 51 R HN 1.458 nan 8.270 nan 0.000 0.427 52 T N -1.685 112.872 114.554 0.005 0.000 2.919 52 T HA 0.626 4.976 4.350 -0.000 0.000 0.282 52 T C 1.732 176.434 174.700 0.003 0.000 1.020 52 T CA -0.007 62.095 62.100 0.004 0.000 0.994 52 T CB 1.406 70.275 68.868 0.003 0.000 1.180 52 T HN 0.701 nan 8.240 nan 0.000 0.566 53 K N -0.286 120.115 120.400 0.002 0.000 2.097 53 K HA 0.064 4.384 4.320 -0.000 0.000 0.206 53 K C 2.556 179.158 176.600 0.002 0.000 1.049 53 K CA 2.008 58.296 56.287 0.002 0.000 0.933 53 K CB -1.657 30.844 32.500 0.001 0.000 0.717 53 K HN 0.900 nan 8.250 nan 0.000 0.442 54 R N 0.052 120.553 120.500 0.002 0.000 2.310 54 R HA 0.498 4.838 4.340 -0.000 0.000 0.202 54 R C 1.782 178.084 176.300 0.004 0.000 0.933 54 R CA 1.468 57.570 56.100 0.002 0.000 1.054 54 R CB -0.829 29.472 30.300 0.002 0.000 0.985 54 R HN 1.319 nan 8.270 nan 0.000 0.489 55 G N -1.459 107.343 108.800 0.004 0.000 1.930 55 G HA2 0.210 4.170 3.960 -0.000 0.000 0.054 55 G HA3 0.210 4.170 3.960 -0.000 0.000 0.054 55 G C -0.619 174.286 174.900 0.007 0.000 0.902 55 G CA 0.270 45.373 45.100 0.006 0.000 1.168 55 G HN 1.159 nan 8.290 nan 0.000 0.383 56 V N -1.726 118.194 119.914 0.009 0.000 2.914 56 V HA 0.930 5.050 4.120 -0.000 0.000 0.314 56 V C -0.074 176.028 176.094 0.012 0.000 1.084 56 V CA -0.079 62.227 62.300 0.012 0.000 0.963 56 V CB 1.418 33.249 31.823 0.015 0.000 1.025 56 V HN 1.322 nan 8.190 nan 0.000 0.432 57 S N 1.445 117.153 115.700 0.014 0.000 2.599 57 S HA 0.784 5.254 4.470 -0.000 0.000 0.287 57 S C -0.717 173.895 174.600 0.020 0.000 1.105 57 S CA -0.760 57.448 58.200 0.014 0.000 0.899 57 S CB 1.489 64.693 63.200 0.007 0.000 1.100 57 S HN 0.763 nan 8.310 nan 0.000 0.482 58 L N 3.402 124.639 121.223 0.024 0.000 2.416 58 L HA 0.291 4.631 4.340 -0.000 0.000 0.272 58 L C 1.260 178.142 176.870 0.020 0.000 1.161 58 L CA -0.497 54.364 54.840 0.037 0.000 0.845 58 L CB 0.578 42.667 42.059 0.049 0.000 1.119 58 L HN 0.788 nan 8.230 nan 0.000 0.464 59 T N -1.366 113.206 114.554 0.030 0.000 2.667 59 T HA 0.029 4.379 4.350 -0.000 0.000 0.305 59 T C 1.405 176.066 174.700 -0.065 0.000 1.022 59 T CA -0.210 61.884 62.100 -0.011 0.000 0.995 59 T CB 0.792 69.689 68.868 0.049 0.000 1.026 59 T HN 0.746 nan 8.240 nan 0.000 0.527 60 S N 0.552 116.125 115.700 -0.212 0.000 2.374 60 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 60 S C 1.728 176.210 174.600 -0.197 0.000 1.037 60 S CA 1.207 59.247 58.200 -0.267 0.000 1.024 60 S CB -1.190 61.740 63.200 -0.450 0.000 0.861 60 S HN 0.640 nan 8.310 nan 0.000 0.456 61 F N 2.829 122.802 119.950 0.038 0.000 2.102 61 F HA 0.167 4.694 4.527 -0.000 0.000 0.298 61 F C 2.953 178.808 175.800 0.091 0.000 1.105 61 F CA 0.456 58.487 58.000 0.051 0.000 1.239 61 F CB -1.482 37.523 39.000 0.008 0.000 0.991 61 F HN 0.361 nan 8.300 nan 0.000 0.474 62 G N -0.617 108.319 108.800 0.226 0.000 2.440 62 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 62 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 62 G C 1.545 176.560 174.900 0.192 0.000 1.154 62 G CA 0.777 45.994 45.100 0.196 0.000 0.767 62 G HN 0.368 nan 8.290 nan 0.000 0.552 63 Q N 0.165 120.031 119.800 0.111 0.000 2.050 63 Q HA 0.011 4.351 4.340 -0.000 0.000 0.202 63 Q C 3.043 179.095 176.000 0.087 0.000 0.980 63 Q CA 1.260 57.106 55.803 0.072 0.000 0.840 63 Q CB -0.288 28.463 28.738 0.021 0.000 0.898 63 Q HN 0.475 nan 8.270 nan 0.000 0.424 64 A N 0.506 123.400 122.820 0.123 0.000 1.902 64 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 64 A C 1.863 179.578 177.584 0.217 0.000 1.181 64 A CA 1.210 53.335 52.037 0.147 0.000 0.623 64 A CB -0.770 18.348 19.000 0.196 0.000 0.818 64 A HN 0.443 nan 8.150 nan 0.000 0.443 65 F N -0.075 119.961 119.950 0.144 0.000 2.234 65 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 65 F C 2.196 178.062 175.800 0.110 0.000 1.087 65 F CA 1.479 59.589 58.000 0.183 0.000 1.340 65 F CB -0.144 38.941 39.000 0.141 0.000 1.031 65 F HN 0.076 nan 8.300 nan 0.000 0.500 66 M N 1.165 120.821 119.600 0.094 0.000 2.108 66 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 66 M C 2.214 178.428 176.300 -0.144 0.000 1.066 66 M CA 1.975 57.263 55.300 -0.021 0.000 1.107 66 M CB -1.417 31.201 32.600 0.030 0.000 1.356 66 M HN 0.293 nan 8.290 nan 0.000 0.406 67 K N -1.077 119.203 120.400 -0.200 0.000 2.097 67 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 67 K C 1.772 178.179 176.600 -0.321 0.000 1.049 67 K CA 1.429 57.557 56.287 -0.265 0.000 0.933 67 K CB -0.678 31.631 32.500 -0.318 0.000 0.717 67 K HN 0.378 nan 8.250 nan 0.000 0.442 68 H N 1.150 120.094 119.070 -0.209 0.000 2.326 68 H HA 0.046 4.602 4.556 -0.000 0.000 0.301 68 H C 2.470 177.595 175.328 -0.337 0.000 1.081 68 H CA 1.507 57.394 56.048 -0.270 0.000 1.334 68 H CB -0.383 29.179 29.762 -0.334 0.000 1.385 68 H HN 0.444 nan 8.280 nan 0.000 0.504 69 A N 1.738 124.317 122.820 -0.402 0.000 1.892 69 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 69 A C 2.548 180.055 177.584 -0.128 0.000 1.188 69 A CA 1.782 53.637 52.037 -0.302 0.000 0.631 69 A CB -0.532 18.314 19.000 -0.257 0.000 0.822 69 A HN 0.318 nan 8.150 nan 0.000 0.447 70 R N -1.443 118.990 120.500 -0.111 0.000 2.081 70 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 70 R C 2.148 178.416 176.300 -0.054 0.000 1.131 70 R CA 1.408 57.467 56.100 -0.067 0.000 0.960 70 R CB -0.506 29.755 30.300 -0.064 0.000 0.856 70 R HN 0.489 nan 8.270 nan 0.000 0.436 71 L N 1.113 122.300 121.223 -0.060 0.000 2.027 71 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 71 L C 1.964 178.820 176.870 -0.023 0.000 1.074 71 L CA 1.583 56.403 54.840 -0.032 0.000 0.745 71 L CB -0.308 41.739 42.059 -0.020 0.000 0.898 71 L HN 0.116 nan 8.230 nan 0.000 0.433 72 I N -1.630 118.921 120.570 -0.032 0.000 2.127 72 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 72 I C 2.335 178.442 176.117 -0.016 0.000 1.075 72 I CA 1.490 62.776 61.300 -0.023 0.000 1.334 72 I CB -0.452 37.528 38.000 -0.033 0.000 1.040 72 I HN 0.072 nan 8.210 nan 0.000 0.405 73 V N 0.802 120.703 119.914 -0.022 0.000 2.295 73 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 73 V C 2.709 178.794 176.094 -0.015 0.000 1.049 73 V CA 2.532 64.823 62.300 -0.014 0.000 1.024 73 V CB -1.223 30.591 31.823 -0.015 0.000 0.648 73 V HN 0.664 nan 8.190 nan 0.000 0.447 74 T N -2.487 112.056 114.554 -0.019 0.000 2.821 74 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 74 T C 1.768 176.467 174.700 -0.001 0.000 1.046 74 T CA 1.244 63.336 62.100 -0.015 0.000 1.139 74 T CB -0.299 68.560 68.868 -0.015 0.000 0.871 74 T HN 0.365 nan 8.240 nan 0.000 0.454 75 E N 1.548 121.748 120.200 -0.000 0.000 2.077 75 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 75 E C 2.662 179.266 176.600 0.006 0.000 0.989 75 E CA 1.225 57.628 56.400 0.005 0.000 0.800 75 E CB -0.497 29.205 29.700 0.003 0.000 0.746 75 E HN 0.601 nan 8.360 nan 0.000 0.452 76 S N 0.708 116.410 115.700 0.003 0.000 2.368 76 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 76 S C 1.954 176.559 174.600 0.008 0.000 1.030 76 S CA 1.253 59.456 58.200 0.005 0.000 0.999 76 S CB -0.140 63.063 63.200 0.004 0.000 0.844 76 S HN 0.242 nan 8.310 nan 0.000 0.459 77 R N 1.232 121.736 120.500 0.007 0.000 2.066 77 R HA 0.037 4.377 4.340 -0.000 0.000 0.232 77 R C 2.436 178.756 176.300 0.033 0.000 1.131 77 R CA 1.040 57.149 56.100 0.014 0.000 0.955 77 R CB -0.127 30.170 30.300 -0.006 0.000 0.851 77 R HN 0.266 nan 8.270 nan 0.000 0.432 78 R N 0.018 120.537 120.500 0.032 0.000 2.096 78 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 78 R C 2.333 178.649 176.300 0.027 0.000 1.127 78 R CA 1.329 57.455 56.100 0.042 0.000 0.968 78 R CB -0.332 29.993 30.300 0.041 0.000 0.861 78 R HN 0.289 nan 8.270 nan 0.000 0.440 79 A N 1.329 124.159 122.820 0.016 0.000 1.865 79 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 79 A C 2.081 179.666 177.584 0.002 0.000 1.191 79 A CA 1.381 53.422 52.037 0.006 0.000 0.623 79 A CB -0.449 18.553 19.000 0.004 0.000 0.826 79 A HN 0.317 nan 8.150 nan 0.000 0.444 80 Q N -0.549 119.256 119.800 0.008 0.000 2.084 80 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 80 Q C 1.974 177.975 176.000 0.001 0.000 0.978 80 Q CA 1.657 57.463 55.803 0.005 0.000 0.844 80 Q CB -0.320 28.427 28.738 0.015 0.000 0.898 80 Q HN 0.800 nan 8.270 nan 0.000 0.426 81 E N 0.985 121.198 120.200 0.021 0.000 2.072 81 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 81 E C 2.002 178.585 176.600 -0.028 0.000 0.985 81 E CA 0.910 57.323 56.400 0.021 0.000 0.801 81 E CB -0.016 29.732 29.700 0.080 0.000 0.750 81 E HN 0.388 nan 8.360 nan 0.000 0.452 82 E N 0.837 121.025 120.200 -0.021 0.000 2.058 82 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 82 E C 2.052 178.596 176.600 -0.094 0.000 0.997 82 E CA 1.095 57.465 56.400 -0.051 0.000 0.801 82 E CB 0.053 29.742 29.700 -0.019 0.000 0.746 82 E HN 0.106 nan 8.360 nan 0.000 0.450 83 I N 1.333 121.864 120.570 -0.066 0.000 2.208 83 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 83 I C 2.590 178.640 176.117 -0.113 0.000 1.097 83 I CA 1.612 62.868 61.300 -0.074 0.000 1.363 83 I CB -1.879 36.094 38.000 -0.044 0.000 1.051 83 I HN 0.312 nan 8.210 nan 0.000 0.413 84 G N 0.162 108.894 108.800 -0.114 0.000 2.446 84 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 84 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 84 G C 1.601 176.325 174.900 -0.293 0.000 1.168 84 G CA 0.525 45.536 45.100 -0.148 0.000 0.771 84 G HN 0.432 nan 8.290 nan 0.000 0.551 85 Q N -0.274 119.291 119.800 -0.393 0.000 2.124 85 Q HA 0.096 4.436 4.340 -0.000 0.000 0.202 85 Q C 2.589 178.136 176.000 -0.755 0.000 0.977 85 Q CA 0.742 56.035 55.803 -0.850 0.000 0.850 85 Q CB -0.238 28.021 28.738 -0.799 0.000 0.901 85 Q HN 0.431 nan 8.270 nan 0.000 0.429 86 L N 0.177 121.179 121.223 -0.369 0.000 2.275 86 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 86 L C 1.882 178.654 176.870 -0.164 0.000 1.119 86 L CA 0.827 55.543 54.840 -0.206 0.000 0.790 86 L CB -0.154 41.840 42.059 -0.108 0.000 0.919 86 L HN 0.143 nan 8.230 nan 0.000 0.443 87 R N -0.037 120.347 120.500 -0.193 0.000 2.334 87 R HA 0.140 4.480 4.340 -0.000 0.000 0.220 87 R C 1.143 177.362 176.300 -0.136 0.000 0.917 87 R CA 0.644 56.669 56.100 -0.125 0.000 1.073 87 R CB 0.400 30.644 30.300 -0.093 0.000 1.056 87 R HN 0.403 nan 8.270 nan 0.000 0.506 88 G N 2.150 110.787 108.800 -0.273 0.000 2.136 88 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.242 88 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.242 88 G C 0.132 174.912 174.900 -0.200 0.000 0.989 88 G CA 0.174 45.150 45.100 -0.206 0.000 0.682 88 G HN 0.370 nan 8.290 nan 0.000 0.522 89 R N -0.061 120.265 120.500 -0.291 0.000 2.408 89 R HA 0.406 4.746 4.340 -0.000 0.000 0.308 89 R C -0.355 175.826 176.300 -0.199 0.000 1.210 89 R CA -0.972 55.043 56.100 -0.141 0.000 1.115 89 R CB -0.191 30.055 30.300 -0.090 0.000 1.127 89 R HN 0.259 nan 8.270 nan 0.000 0.523 90 W N 4.135 125.469 121.300 0.056 0.000 1.664 90 W HA 0.206 4.866 4.660 -0.000 0.000 0.428 90 W C -0.383 176.168 176.519 0.054 0.000 0.726 90 W CA -0.395 56.999 57.345 0.082 0.000 1.774 90 W CB 0.512 30.050 29.460 0.129 0.000 1.801 90 W HN 0.389 nan 8.180 nan 0.000 0.243 91 E N 1.184 121.470 120.200 0.143 0.000 2.216 91 E HA 0.679 5.029 4.350 -0.000 0.000 0.260 91 E C 0.356 176.979 176.600 0.038 0.000 0.880 91 E CA -0.497 55.949 56.400 0.077 0.000 0.765 91 E CB 1.776 31.500 29.700 0.039 0.000 1.174 91 E HN 0.348 nan 8.360 nan 0.000 0.417 92 G N 1.902 110.700 108.800 -0.004 0.000 2.561 92 G HA2 0.400 4.360 3.960 -0.000 0.000 0.310 92 G HA3 0.400 4.360 3.960 -0.000 0.000 0.310 92 G C -1.710 173.070 174.900 -0.200 0.000 1.292 92 G CA -0.649 44.456 45.100 0.007 0.000 0.811 92 G HN 0.452 nan 8.290 nan 0.000 0.482 93 H N -1.372 117.764 119.070 0.110 0.000 2.717 93 H HA 0.725 5.281 4.556 0.000 0.000 0.366 93 H C -0.680 174.706 175.328 0.097 0.000 1.132 93 H CA -0.415 55.693 56.048 0.100 0.000 1.180 93 H CB 2.181 31.983 29.762 0.066 0.000 1.678 93 H HN 0.439 nan 8.280 nan 0.000 0.537 94 I N 1.786 122.475 120.570 0.198 0.000 2.533 94 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 94 I C -0.645 175.540 176.117 0.113 0.000 1.056 94 I CA -0.436 60.947 61.300 0.138 0.000 1.057 94 I CB 2.306 40.365 38.000 0.098 0.000 1.240 94 I HN 0.516 nan 8.210 nan 0.000 0.423 95 T N 6.412 120.991 114.554 0.041 0.000 2.812 95 T HA 0.714 5.064 4.350 -0.000 0.000 0.282 95 T C -0.788 173.832 174.700 -0.133 0.000 0.990 95 T CA -0.470 61.610 62.100 -0.034 0.000 0.960 95 T CB 0.953 69.799 68.868 -0.037 0.000 0.948 95 T HN 0.447 nan 8.240 nan 0.000 0.438 96 F N 0.642 120.349 119.950 -0.405 0.000 2.662 96 F HA 0.914 5.441 4.527 0.000 0.000 0.312 96 F C -1.187 174.432 175.800 -0.302 0.000 1.113 96 F CA -1.620 56.013 58.000 -0.612 0.000 0.951 96 F CB 0.856 38.988 39.000 -1.447 0.000 1.344 96 F HN 0.637 nan 8.300 nan 0.000 0.462 97 A N 1.367 124.092 122.820 -0.157 0.000 2.356 97 A HA 0.992 5.312 4.320 -0.000 0.000 0.323 97 A C -1.147 176.487 177.584 0.085 0.000 1.119 97 A CA -0.346 51.619 52.037 -0.119 0.000 0.790 97 A CB 1.128 20.118 19.000 -0.018 0.000 1.273 97 A HN 1.863 nan 8.150 nan 0.000 0.452 98 A N 0.656 123.500 122.820 0.039 0.000 2.498 98 A HA 0.798 5.118 4.320 -0.000 0.000 0.298 98 A C 0.147 177.782 177.584 0.085 0.000 1.075 98 A CA 0.107 52.229 52.037 0.142 0.000 0.714 98 A CB 1.086 20.202 19.000 0.193 0.000 1.299 98 A HN 2.057 nan 8.150 nan 0.000 0.407 99 S N 1.290 117.043 115.700 0.088 0.000 2.669 99 S HA 0.549 5.019 4.470 -0.000 0.000 0.270 99 S C -1.983 172.599 174.600 -0.030 0.000 1.225 99 S CA -0.877 57.342 58.200 0.033 0.000 0.991 99 S CB 0.794 64.016 63.200 0.036 0.000 0.987 99 S HN 0.342 nan 8.310 nan 0.000 0.552 100 P HA 0.007 nan 4.420 nan 0.000 0.216 100 P C 1.635 178.866 177.300 -0.115 0.000 1.153 100 P CA 1.913 64.909 63.100 -0.173 0.000 0.848 100 P CB -0.312 31.113 31.700 -0.458 0.000 0.787 101 A N -0.331 122.422 122.820 -0.113 0.000 1.908 101 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 101 A C 2.098 179.625 177.584 -0.096 0.000 1.181 101 A CA 1.564 53.561 52.037 -0.067 0.000 0.627 101 A CB -1.503 17.505 19.000 0.013 0.000 0.818 101 A HN 0.032 nan 8.150 nan 0.000 0.445 102 I N -0.023 120.508 120.570 -0.064 0.000 2.202 102 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 102 I C 2.936 179.047 176.117 -0.011 0.000 1.091 102 I CA 1.425 62.696 61.300 -0.048 0.000 1.368 102 I CB -1.754 36.265 38.000 0.032 0.000 1.058 102 I HN 0.349 nan 8.210 nan 0.000 0.410 103 A N 0.615 123.441 122.820 0.010 0.000 1.972 103 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 103 A C 2.330 179.914 177.584 -0.000 0.000 1.169 103 A CA 1.336 53.387 52.037 0.023 0.000 0.635 103 A CB -0.700 18.310 19.000 0.017 0.000 0.810 103 A HN 0.448 nan 8.150 nan 0.000 0.446 104 L N -2.393 118.817 121.223 -0.022 0.000 2.529 104 L HA 0.185 4.525 4.340 -0.000 0.000 0.223 104 L C 2.273 179.118 176.870 -0.040 0.000 1.113 104 L CA 0.590 55.415 54.840 -0.024 0.000 0.861 104 L CB 0.003 42.050 42.059 -0.020 0.000 1.012 104 L HN 0.460 nan 8.230 nan 0.000 0.461 105 A N -0.803 121.980 122.820 -0.062 0.000 1.948 105 A HA 0.422 4.742 4.320 -0.000 0.000 0.197 105 A C 2.122 179.655 177.584 -0.086 0.000 1.911 105 A CA 0.665 52.654 52.037 -0.080 0.000 1.011 105 A CB -0.666 18.266 19.000 -0.113 0.000 1.119 105 A HN 0.081 nan 8.150 nan 0.000 0.621 106 A N -0.466 122.296 122.820 -0.096 0.000 1.930 106 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 106 A C 2.048 179.619 177.584 -0.021 0.000 1.175 106 A CA 1.732 53.742 52.037 -0.046 0.000 0.627 106 A CB -0.596 18.374 19.000 -0.049 0.000 0.815 106 A HN 0.485 nan 8.150 nan 0.000 0.443 107 L N 0.120 121.346 121.223 0.006 0.000 2.017 107 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 107 L C -0.708 176.169 176.870 0.012 0.000 1.073 107 L CA 2.093 56.968 54.840 0.057 0.000 0.745 107 L CB -1.101 41.029 42.059 0.118 0.000 0.894 107 L HN 0.168 nan 8.230 nan 0.000 0.432 108 P HA -0.154 nan 4.420 nan 0.000 0.215 108 P C 2.056 179.286 177.300 -0.118 0.000 1.153 108 P CA 1.454 64.523 63.100 -0.051 0.000 0.853 108 P CB 0.037 31.704 31.700 -0.055 0.000 0.788 109 L N -1.308 119.777 121.223 -0.230 0.000 2.072 109 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 109 L C 2.486 179.064 176.870 -0.486 0.000 1.079 109 L CA 1.454 56.016 54.840 -0.464 0.000 0.752 109 L CB -1.138 40.444 42.059 -0.795 0.000 0.906 109 L HN -0.065 nan 8.230 nan 0.000 0.436 110 A N 0.089 122.753 122.820 -0.261 0.000 1.898 110 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 110 A C 2.247 179.872 177.584 0.068 0.000 1.181 110 A CA 1.205 53.317 52.037 0.125 0.000 0.620 110 A CB -0.606 18.557 19.000 0.273 0.000 0.819 110 A HN 0.326 nan 8.150 nan 0.000 0.442 111 L N -0.761 120.493 121.223 0.051 0.000 2.093 111 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 111 L C 3.102 180.005 176.870 0.055 0.000 1.085 111 L CA 0.964 55.869 54.840 0.109 0.000 0.755 111 L CB -0.530 41.599 42.059 0.117 0.000 0.904 111 L HN 0.440 nan 8.230 nan 0.000 0.435 112 A N -0.593 122.198 122.820 -0.048 0.000 1.908 112 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 112 A C 2.510 179.969 177.584 -0.208 0.000 1.181 112 A CA 2.225 54.202 52.037 -0.101 0.000 0.627 112 A CB -0.621 18.309 19.000 -0.117 0.000 0.818 112 A HN 0.377 nan 8.150 nan 0.000 0.445 113 S N -1.290 114.197 115.700 -0.355 0.000 2.355 113 S HA -0.098 4.372 4.470 -0.000 0.000 0.222 113 S C 1.671 175.710 174.600 -0.935 0.000 1.031 113 S CA 1.334 59.042 58.200 -0.820 0.000 0.993 113 S CB -0.515 61.854 63.200 -1.385 0.000 0.859 113 S HN 0.619 nan 8.310 nan 0.000 0.453 114 F N 2.663 122.156 119.950 -0.762 0.000 2.126 114 F HA -0.146 4.381 4.527 0.000 0.000 0.299 114 F C 2.306 178.090 175.800 -0.027 0.000 1.096 114 F CA 1.165 59.028 58.000 -0.230 0.000 1.255 114 F CB -0.657 38.387 39.000 0.073 0.000 0.997 114 F HN 0.178 nan 8.300 nan 0.000 0.479 115 A N 0.529 123.327 122.820 -0.036 0.000 1.933 115 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 115 A C 2.325 179.789 177.584 -0.200 0.000 1.175 115 A CA 1.563 53.551 52.037 -0.082 0.000 0.628 115 A CB -0.698 18.319 19.000 0.028 0.000 0.814 115 A HN 0.463 nan 8.150 nan 0.000 0.444 116 R N -0.801 119.555 120.500 -0.240 0.000 2.081 116 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 116 R C 2.272 178.375 176.300 -0.328 0.000 1.131 116 R CA 1.610 57.562 56.100 -0.246 0.000 0.960 116 R CB -0.208 29.951 30.300 -0.236 0.000 0.856 116 R HN 0.793 nan 8.270 nan 0.000 0.436 117 E N -0.266 119.664 120.200 -0.450 0.000 2.122 117 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 117 E C -0.380 175.588 176.600 -1.054 0.000 0.977 117 E CA 0.644 56.622 56.400 -0.704 0.000 0.820 117 E CB 0.352 29.636 29.700 -0.694 0.000 0.770 117 E HN 0.143 nan 8.360 nan 0.000 0.462 118 F N 0.685 120.243 119.950 -0.654 0.000 2.531 118 F HA 0.318 4.845 4.527 0.000 0.000 0.333 118 F C -1.929 173.617 175.800 -0.423 0.000 1.292 118 F CA -1.968 55.628 58.000 -0.674 0.000 1.184 118 F CB 1.622 40.038 39.000 -0.973 0.000 1.426 118 F HN -0.020 nan 8.300 nan 0.000 0.559 119 P HA -0.127 nan 4.420 nan 0.000 0.222 119 P C 0.381 177.697 177.300 0.026 0.000 1.147 119 P CA 1.381 64.446 63.100 -0.059 0.000 0.790 119 P CB 0.449 32.109 31.700 -0.066 0.000 0.780 120 D N -0.758 119.691 120.400 0.081 0.000 2.363 120 D HA 0.088 4.728 4.640 -0.000 0.000 0.214 120 D C 0.354 176.731 176.300 0.129 0.000 1.093 120 D CA 0.011 54.077 54.000 0.110 0.000 0.837 120 D CB 0.479 41.359 40.800 0.133 0.000 0.948 120 D HN 0.039 nan 8.370 nan 0.000 0.507 121 V N 1.208 121.229 119.914 0.178 0.000 2.546 121 V HA 0.172 4.292 4.120 -0.000 0.000 0.284 121 V C 0.691 176.888 176.094 0.170 0.000 1.050 121 V CA -0.151 62.272 62.300 0.205 0.000 0.981 121 V CB 1.700 33.752 31.823 0.381 0.000 0.990 121 V HN -0.052 nan 8.190 nan 0.000 0.474 122 T N 4.959 119.531 114.554 0.031 0.000 2.743 122 T HA 0.469 4.819 4.350 -0.000 0.000 0.293 122 T C -0.216 174.555 174.700 0.119 0.000 0.945 122 T CA -0.182 61.940 62.100 0.036 0.000 1.030 122 T CB 1.022 69.834 68.868 -0.092 0.000 0.912 122 T HN 0.376 nan 8.240 nan 0.000 0.483 123 V N 4.686 124.693 119.914 0.154 0.000 2.513 123 V HA 0.515 4.635 4.120 -0.000 0.000 0.299 123 V C 0.046 176.200 176.094 0.100 0.000 1.035 123 V CA -1.001 61.395 62.300 0.159 0.000 0.889 123 V CB 1.806 33.748 31.823 0.198 0.000 0.988 123 V HN 0.753 nan 8.190 nan 0.000 0.440 124 N N 3.171 121.901 118.700 0.050 0.000 2.442 124 N HA 0.428 5.168 4.740 -0.000 0.000 0.274 124 N C -1.468 173.879 175.510 -0.271 0.000 1.002 124 N CA -0.139 52.876 53.050 -0.058 0.000 0.910 124 N CB 2.031 40.500 38.487 -0.030 0.000 1.244 124 N HN 0.492 nan 8.380 nan 0.000 0.492 125 V N 4.860 124.560 119.914 -0.357 0.000 2.513 125 V HA 0.710 4.830 4.120 -0.000 0.000 0.299 125 V C -0.490 175.352 176.094 -0.421 0.000 1.035 125 V CA -0.583 61.294 62.300 -0.706 0.000 0.889 125 V CB 1.227 32.599 31.823 -0.752 0.000 0.988 125 V HN 0.798 nan 8.190 nan 0.000 0.440 126 R N 3.480 123.717 120.500 -0.438 0.000 2.855 126 R HA 0.630 4.970 4.340 -0.000 0.000 0.266 126 R C -1.364 174.834 176.300 -0.170 0.000 1.034 126 R CA -0.998 54.966 56.100 -0.227 0.000 0.944 126 R CB 1.411 31.611 30.300 -0.167 0.000 1.219 126 R HN 0.498 nan 8.270 nan 0.000 0.474 127 D N -0.303 120.052 120.400 -0.076 0.000 2.362 127 D HA 0.450 5.090 4.640 -0.000 0.000 0.242 127 D C -0.008 176.293 176.300 0.000 0.000 1.132 127 D CA 0.610 54.602 54.000 -0.014 0.000 0.907 127 D CB 1.577 42.396 40.800 0.032 0.000 1.195 127 D HN 0.731 nan 8.370 nan 0.000 0.429 128 G N -0.097 108.730 108.800 0.043 0.000 2.616 128 G HA2 0.469 4.429 3.960 -0.000 0.000 0.294 128 G HA3 0.469 4.429 3.960 -0.000 0.000 0.294 128 G C -1.535 173.430 174.900 0.109 0.000 1.489 128 G CA -0.715 44.423 45.100 0.063 0.000 0.836 128 G HN 0.382 nan 8.290 nan 0.000 0.527 129 M N 0.934 120.605 119.600 0.118 0.000 2.501 129 M HA 0.552 5.032 4.480 -0.000 0.000 0.293 129 M C -1.544 174.859 176.300 0.171 0.000 1.192 129 M CA -1.033 54.361 55.300 0.158 0.000 0.886 129 M CB 2.581 35.276 32.600 0.159 0.000 1.710 129 M HN 0.666 nan 8.290 nan 0.000 0.457 130 Y N 5.234 125.586 120.300 0.086 0.000 2.411 130 Y HA 0.330 4.880 4.550 0.000 0.000 0.333 130 Y C -1.835 174.108 175.900 0.072 0.000 1.186 130 Y CA -0.854 57.291 58.100 0.074 0.000 1.381 130 Y CB 0.879 39.385 38.460 0.077 0.000 1.273 130 Y HN 0.422 nan 8.280 nan 0.000 0.546 131 P HA 0.116 nan 4.420 nan 0.000 0.261 131 P C 0.640 177.740 177.300 -0.333 0.000 1.268 131 P CA 0.877 63.400 63.100 -0.963 0.000 0.833 131 P CB 0.163 31.294 31.700 -0.949 0.000 1.231 132 A N 1.201 123.934 122.820 -0.145 0.000 1.986 132 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 132 A C 2.151 179.720 177.584 -0.025 0.000 1.171 132 A CA 2.253 54.252 52.037 -0.062 0.000 0.640 132 A CB -1.657 17.332 19.000 -0.018 0.000 0.811 132 A HN 0.205 nan 8.150 nan 0.000 0.451 133 V N -2.909 117.017 119.914 0.020 0.000 3.141 133 V HA -0.090 4.030 4.120 -0.000 0.000 0.265 133 V C 1.995 178.127 176.094 0.063 0.000 1.126 133 V CA 1.969 64.304 62.300 0.059 0.000 1.141 133 V CB -0.941 30.953 31.823 0.117 0.000 0.743 133 V HN 0.346 nan 8.190 nan 0.000 0.492 134 S N 1.648 117.374 115.700 0.044 0.000 2.370 134 S HA -0.060 4.410 4.470 -0.000 0.000 0.226 134 S C 0.024 174.648 174.600 0.039 0.000 1.033 134 S CA 2.210 60.453 58.200 0.072 0.000 1.011 134 S CB -1.318 61.908 63.200 0.043 0.000 0.852 134 S HN 0.584 nan 8.310 nan 0.000 0.457 135 P HA -0.034 nan 4.420 nan 0.000 0.218 135 P C 1.163 178.461 177.300 -0.004 0.000 1.149 135 P CA 1.031 64.127 63.100 -0.006 0.000 0.817 135 P CB -0.008 31.679 31.700 -0.021 0.000 0.785 136 Q N -0.917 118.886 119.800 0.005 0.000 2.187 136 Q HA 0.012 4.352 4.340 -0.000 0.000 0.199 136 Q C 2.100 178.112 176.000 0.020 0.000 0.957 136 Q CA 1.003 56.808 55.803 0.003 0.000 0.857 136 Q CB -1.024 27.714 28.738 -0.000 0.000 0.929 136 Q HN 0.239 nan 8.270 nan 0.000 0.453 137 L N -0.190 121.060 121.223 0.045 0.000 2.046 137 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 137 L C 2.247 179.145 176.870 0.045 0.000 1.077 137 L CA 1.302 56.180 54.840 0.064 0.000 0.747 137 L CB -0.303 41.816 42.059 0.100 0.000 0.896 137 L HN 0.171 nan 8.230 nan 0.000 0.432 138 R N 0.293 120.812 120.500 0.032 0.000 2.115 138 R HA -0.127 4.213 4.340 -0.000 0.000 0.226 138 R C 1.497 177.792 176.300 -0.008 0.000 1.100 138 R CA 1.426 57.535 56.100 0.016 0.000 0.980 138 R CB -0.289 30.015 30.300 0.006 0.000 0.875 138 R HN 0.501 nan 8.270 nan 0.000 0.445 139 D N -1.090 119.298 120.400 -0.021 0.000 2.339 139 D HA 0.053 4.693 4.640 -0.000 0.000 0.217 139 D C 1.079 177.364 176.300 -0.025 0.000 1.050 139 D CA 0.660 54.635 54.000 -0.042 0.000 0.856 139 D CB 0.329 41.092 40.800 -0.062 0.000 0.922 139 D HN 0.234 nan 8.370 nan 0.000 0.518 140 G N 0.278 109.076 108.800 -0.004 0.000 2.184 140 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.264 140 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.264 140 G C 1.194 176.094 174.900 0.001 0.000 0.975 140 G CA 1.106 46.209 45.100 0.006 0.000 0.642 140 G HN 0.609 nan 8.290 nan 0.000 0.536 141 T N -2.508 112.041 114.554 -0.009 0.000 3.023 141 T HA 0.423 4.773 4.350 -0.000 0.000 0.266 141 T C 0.869 175.559 174.700 -0.017 0.000 1.093 141 T CA 1.270 63.360 62.100 -0.017 0.000 1.129 141 T CB 0.431 69.284 68.868 -0.025 0.000 0.899 141 T HN 0.801 nan 8.240 nan 0.000 0.491 142 L N 1.666 122.885 121.223 -0.007 0.000 2.325 142 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 142 L C 0.052 176.929 176.870 0.012 0.000 1.004 142 L CA -0.424 54.406 54.840 -0.018 0.000 0.823 142 L CB 1.846 43.900 42.059 -0.008 0.000 1.236 142 L HN -0.125 nan 8.230 nan 0.000 0.415 143 D N 4.200 124.593 120.400 -0.011 0.000 2.194 143 D HA 0.045 4.685 4.640 -0.000 0.000 0.204 143 D C -0.165 176.279 176.300 0.239 0.000 0.964 143 D CA 1.459 55.511 54.000 0.087 0.000 0.846 143 D CB 0.183 41.049 40.800 0.110 0.000 0.962 143 D HN 0.385 nan 8.370 nan 0.000 0.490 144 F N -1.542 118.476 119.950 0.114 0.000 2.741 144 F HA 0.665 5.192 4.527 -0.000 0.000 0.311 144 F C -1.840 174.058 175.800 0.164 0.000 1.149 144 F CA -1.773 56.291 58.000 0.107 0.000 0.930 144 F CB 1.153 40.186 39.000 0.055 0.000 1.312 144 F HN -0.194 nan 8.300 nan 0.000 0.450 145 A N 2.020 125.075 122.820 0.391 0.000 2.371 145 A HA 0.819 5.139 4.320 -0.000 0.000 0.311 145 A C -1.635 176.166 177.584 0.362 0.000 1.068 145 A CA -0.876 51.350 52.037 0.314 0.000 0.744 145 A CB 1.392 20.520 19.000 0.214 0.000 1.239 145 A HN 0.847 nan 8.150 nan 0.000 0.435 146 L N 2.428 123.864 121.223 0.354 0.000 2.272 146 L HA 0.618 4.957 4.340 -0.000 0.000 0.284 146 L C 0.232 177.225 176.870 0.206 0.000 1.045 146 L CA -0.136 54.871 54.840 0.280 0.000 0.842 146 L CB 1.052 43.289 42.059 0.296 0.000 1.224 146 L HN 0.769 nan 8.230 nan 0.000 0.430 147 T N 1.515 116.184 114.554 0.192 0.000 2.889 147 T HA 0.696 5.046 4.350 -0.000 0.000 0.315 147 T C -0.577 174.225 174.700 0.170 0.000 1.291 147 T CA -0.297 61.908 62.100 0.175 0.000 1.028 147 T CB 1.643 70.637 68.868 0.210 0.000 1.235 147 T HN 0.539 nan 8.240 nan 0.000 0.491 148 A N 1.917 124.818 122.820 0.134 0.000 2.425 148 A HA 0.807 5.127 4.320 -0.000 0.000 0.242 148 A C 0.513 178.178 177.584 0.135 0.000 1.077 148 A CA 0.260 52.361 52.037 0.107 0.000 0.781 148 A CB -0.387 18.639 19.000 0.043 0.000 1.020 148 A HN 1.802 nan 8.150 nan 0.000 0.494 149 A N 1.075 123.953 122.820 0.097 0.000 2.597 149 A HA 0.614 4.934 4.320 -0.000 0.000 0.292 149 A C -1.056 176.464 177.584 -0.107 0.000 1.057 149 A CA -0.743 51.288 52.037 -0.011 0.000 0.674 149 A CB 0.655 19.492 19.000 -0.272 0.000 1.278 149 A HN 0.899 nan 8.150 nan 0.000 0.416 150 H N 1.846 120.955 119.070 0.065 0.000 2.594 150 H HA 0.222 4.778 4.556 0.000 0.000 0.304 150 H C 1.022 176.343 175.328 -0.012 0.000 1.068 150 H CA -0.046 56.042 56.048 0.067 0.000 1.308 150 H CB 1.798 31.599 29.762 0.065 0.000 1.409 150 H HN 0.918 nan 8.280 nan 0.000 0.460 151 K N 2.257 122.702 120.400 0.075 0.000 2.056 151 K HA -0.327 3.993 4.320 -0.000 0.000 0.225 151 K C 0.976 177.623 176.600 0.079 0.000 1.053 151 K CA 2.055 58.350 56.287 0.014 0.000 0.966 151 K CB 0.001 32.640 32.500 0.231 0.000 0.735 151 K HN 0.582 nan 8.250 nan 0.000 0.455 152 H N 0.010 119.078 119.070 -0.004 0.000 2.491 152 H HA -0.034 4.522 4.556 -0.000 0.000 0.290 152 H C 1.578 176.906 175.328 -0.000 0.000 1.050 152 H CA 1.388 57.432 56.048 -0.006 0.000 1.309 152 H CB -0.094 29.674 29.762 0.011 0.000 1.392 152 H HN 0.381 nan 8.280 nan 0.000 0.554 153 D N 0.119 120.608 120.400 0.147 0.000 2.162 153 D HA -0.010 4.630 4.640 -0.000 0.000 0.203 153 D C 0.563 176.925 176.300 0.103 0.000 0.967 153 D CA 0.261 54.341 54.000 0.132 0.000 0.840 153 D CB -0.119 40.802 40.800 0.201 0.000 0.972 153 D HN 0.266 nan 8.370 nan 0.000 0.482 154 I N 2.468 123.041 120.570 0.004 0.000 2.826 154 I HA -0.111 4.059 4.170 -0.000 0.000 0.295 154 I C 0.594 176.720 176.117 0.016 0.000 1.213 154 I CA 0.024 61.287 61.300 -0.062 0.000 1.436 154 I CB 0.244 38.055 38.000 -0.315 0.000 1.348 154 I HN -0.163 nan 8.210 nan 0.000 0.570 155 D N 4.040 124.508 120.400 0.113 0.000 2.506 155 D HA -0.087 4.553 4.640 -0.000 0.000 0.234 155 D C 1.294 177.605 176.300 0.018 0.000 1.143 155 D CA 0.369 54.415 54.000 0.077 0.000 0.871 155 D CB 0.954 41.822 40.800 0.113 0.000 1.190 155 D HN 0.614 nan 8.370 nan 0.000 0.459 156 T N 0.441 114.998 114.554 0.005 0.000 2.929 156 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 156 T C 1.075 175.766 174.700 -0.015 0.000 1.085 156 T CA 1.337 63.424 62.100 -0.023 0.000 1.125 156 T CB 0.004 68.860 68.868 -0.020 0.000 0.874 156 T HN 0.459 nan 8.240 nan 0.000 0.494 157 D N 0.245 120.657 120.400 0.021 0.000 2.349 157 D HA 0.053 4.693 4.640 -0.000 0.000 0.224 157 D C 0.618 176.961 176.300 0.072 0.000 1.029 157 D CA 0.012 54.042 54.000 0.050 0.000 0.879 157 D CB -0.306 40.528 40.800 0.057 0.000 0.906 157 D HN 0.417 nan 8.370 nan 0.000 0.528 158 L N 0.384 121.631 121.223 0.040 0.000 2.344 158 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 158 L C 0.268 177.131 176.870 -0.012 0.000 1.035 158 L CA -0.886 53.977 54.840 0.039 0.000 0.807 158 L CB 1.833 43.908 42.059 0.026 0.000 1.237 158 L HN -0.089 nan 8.230 nan 0.000 0.442 159 E N 1.334 121.549 120.200 0.024 0.000 2.195 159 E HA 0.680 5.030 4.350 -0.000 0.000 0.271 159 E C -1.385 175.191 176.600 -0.039 0.000 0.923 159 E CA -0.764 55.634 56.400 -0.004 0.000 0.790 159 E CB 1.977 31.767 29.700 0.149 0.000 1.155 159 E HN 0.660 nan 8.360 nan 0.000 0.402 160 A N 4.788 127.554 122.820 -0.091 0.000 2.410 160 A HA 0.316 4.636 4.320 -0.000 0.000 0.289 160 A C -1.093 176.531 177.584 0.067 0.000 1.200 160 A CA -0.807 51.161 52.037 -0.116 0.000 0.751 160 A CB 1.269 19.963 19.000 -0.510 0.000 1.161 160 A HN 0.540 nan 8.150 nan 0.000 0.459 161 Q N 2.422 122.320 119.800 0.163 0.000 2.290 161 Q HA 0.369 4.709 4.340 -0.000 0.000 0.259 161 Q C -2.650 173.483 176.000 0.222 0.000 0.941 161 Q CA -2.038 53.865 55.803 0.166 0.000 0.912 161 Q CB 1.759 30.529 28.738 0.054 0.000 1.244 161 Q HN 0.422 nan 8.270 nan 0.000 0.441 162 P HA -0.028 nan 4.420 nan 0.000 0.268 162 P C 0.070 177.304 177.300 -0.111 0.000 1.204 162 P CA 0.006 63.013 63.100 -0.155 0.000 0.768 162 P CB 0.642 32.256 31.700 -0.142 0.000 0.842 163 L N 4.036 125.169 121.223 -0.150 0.000 2.586 163 L HA 0.463 4.803 4.340 -0.000 0.000 0.204 163 L C -0.560 176.347 176.870 0.062 0.000 1.053 163 L CA 0.896 55.719 54.840 -0.028 0.000 0.856 163 L CB 0.040 42.103 42.059 0.008 0.000 1.192 163 L HN 0.282 nan 8.230 nan 0.000 0.484 164 Y N -0.655 119.550 120.300 -0.158 0.000 2.480 164 Y HA 0.548 5.098 4.550 -0.000 0.000 0.329 164 Y C -1.545 174.270 175.900 -0.141 0.000 1.127 164 Y CA -1.489 56.542 58.100 -0.115 0.000 1.037 164 Y CB 1.477 39.894 38.460 -0.072 0.000 1.320 164 Y HN -0.282 nan 8.280 nan 0.000 0.446 165 V N 6.210 125.688 119.914 -0.726 0.000 2.348 165 V HA 0.388 4.508 4.120 -0.000 0.000 0.270 165 V C 0.121 175.720 176.094 -0.824 0.000 1.037 165 V CA -0.173 61.776 62.300 -0.585 0.000 0.872 165 V CB 0.619 32.221 31.823 -0.369 0.000 1.002 165 V HN 0.819 nan 8.190 nan 0.000 0.464 166 S N 3.239 118.670 115.700 -0.448 0.000 2.655 166 S HA 0.518 4.988 4.470 -0.000 0.000 0.265 166 S C -0.560 173.965 174.600 -0.125 0.000 1.240 166 S CA -0.658 57.413 58.200 -0.216 0.000 0.986 166 S CB 1.739 64.960 63.200 0.035 0.000 0.985 166 S HN 0.671 nan 8.310 nan 0.000 0.562 167 D N -0.296 120.092 120.400 -0.019 0.000 2.649 167 D HA 0.495 5.135 4.640 -0.000 0.000 0.249 167 D C -1.368 174.948 176.300 0.027 0.000 1.112 167 D CA -0.538 53.461 54.000 -0.002 0.000 0.850 167 D CB 1.948 42.762 40.800 0.022 0.000 1.399 167 D HN 0.370 nan 8.370 nan 0.000 0.503 168 V N 3.654 123.582 119.914 0.023 0.000 2.427 168 V HA 0.530 4.650 4.120 -0.000 0.000 0.286 168 V C 0.274 176.384 176.094 0.027 0.000 1.034 168 V CA -0.614 61.708 62.300 0.037 0.000 0.893 168 V CB 1.468 33.315 31.823 0.039 0.000 0.982 168 V HN 0.469 nan 8.190 nan 0.000 0.452 169 V N 3.358 123.286 119.914 0.023 0.000 3.001 169 V HA 0.679 4.799 4.120 -0.000 0.000 0.314 169 V C -0.523 175.570 176.094 -0.001 0.000 1.099 169 V CA -0.950 61.334 62.300 -0.028 0.000 0.989 169 V CB 2.189 33.930 31.823 -0.136 0.000 1.040 169 V HN 0.627 nan 8.190 nan 0.000 0.434 170 I N 2.152 122.716 120.570 -0.011 0.000 2.359 170 I HA 0.614 4.784 4.170 -0.000 0.000 0.294 170 I C -0.723 175.351 176.117 -0.072 0.000 0.987 170 I CA -0.719 60.617 61.300 0.060 0.000 1.225 170 I CB 1.883 39.982 38.000 0.165 0.000 1.366 170 I HN 0.452 nan 8.210 nan 0.000 0.466 171 V N 4.928 124.811 119.914 -0.052 0.000 2.656 171 V HA 0.818 4.938 4.120 -0.000 0.000 0.307 171 V C 0.258 176.276 176.094 -0.126 0.000 1.051 171 V CA -0.421 61.816 62.300 -0.105 0.000 0.893 171 V CB 1.784 33.605 31.823 -0.003 0.000 0.999 171 V HN 0.925 nan 8.190 nan 0.000 0.426 172 G N 2.486 111.199 108.800 -0.145 0.000 2.798 172 G HA2 0.619 4.579 3.960 -0.000 0.000 0.286 172 G HA3 0.619 4.579 3.960 -0.000 0.000 0.286 172 G C -0.918 173.976 174.900 -0.010 0.000 1.389 172 G CA -0.789 44.208 45.100 -0.172 0.000 0.894 172 G HN 0.790 nan 8.290 nan 0.000 0.488 173 Q N -0.612 119.224 119.800 0.059 0.000 2.474 173 Q HA 0.229 4.569 4.340 -0.000 0.000 0.256 173 Q C 1.496 177.543 176.000 0.079 0.000 1.048 173 Q CA 0.015 55.853 55.803 0.059 0.000 0.922 173 Q CB 1.079 29.841 28.738 0.040 0.000 1.288 173 Q HN 0.662 nan 8.270 nan 0.000 0.484 174 R N 1.073 121.608 120.500 0.059 0.000 2.139 174 R HA -0.228 4.112 4.340 -0.000 0.000 0.243 174 R C 0.875 177.210 176.300 0.059 0.000 1.145 174 R CA 2.118 58.255 56.100 0.062 0.000 0.976 174 R CB 0.148 30.478 30.300 0.049 0.000 0.866 174 R HN 0.844 nan 8.270 nan 0.000 0.449 175 Q N -0.318 119.512 119.800 0.051 0.000 2.186 175 Q HA 0.064 4.404 4.340 -0.000 0.000 0.241 175 Q C -0.808 175.210 176.000 0.031 0.000 0.849 175 Q CA -0.378 55.445 55.803 0.033 0.000 1.053 175 Q CB 0.597 29.341 28.738 0.010 0.000 1.146 175 Q HN 0.348 nan 8.270 nan 0.000 0.475 176 H N 1.126 120.181 119.070 -0.025 0.000 2.972 176 H HA -0.023 4.533 4.556 -0.000 0.000 0.343 176 H C -1.702 173.605 175.328 -0.036 0.000 1.054 176 H CA -0.793 55.231 56.048 -0.041 0.000 1.412 176 H CB 1.178 30.906 29.762 -0.057 0.000 1.385 176 H HN 0.043 nan 8.280 nan 0.000 0.600 177 P HA -0.167 nan 4.420 nan 0.000 0.217 177 P C 1.044 178.386 177.300 0.071 0.000 1.151 177 P CA 1.401 64.443 63.100 -0.097 0.000 0.849 177 P CB 0.262 31.845 31.700 -0.194 0.000 0.787 178 M N -2.171 117.609 119.600 0.301 0.000 2.549 178 M HA 0.267 4.747 4.480 -0.000 0.000 0.273 178 M C 1.448 177.813 176.300 0.108 0.000 1.213 178 M CA -0.594 54.818 55.300 0.187 0.000 0.976 178 M CB -1.142 31.550 32.600 0.154 0.000 1.457 178 M HN -0.143 nan 8.290 nan 0.000 0.485 179 A N 1.302 124.196 122.820 0.123 0.000 1.978 179 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 179 A C 1.665 179.261 177.584 0.020 0.000 1.170 179 A CA 1.554 53.623 52.037 0.053 0.000 0.636 179 A CB -0.372 18.669 19.000 0.069 0.000 0.810 179 A HN 0.522 nan 8.150 nan 0.000 0.448 180 N N -0.094 118.621 118.700 0.025 0.000 2.268 180 N HA 0.283 5.023 4.740 -0.000 0.000 0.204 180 N C 0.294 175.808 175.510 0.006 0.000 1.124 180 N CA 0.653 53.711 53.050 0.013 0.000 0.838 180 N CB 0.029 38.525 38.487 0.015 0.000 0.994 180 N HN 0.458 nan 8.380 nan 0.000 0.489 181 A N 0.607 123.430 122.820 0.005 0.000 2.445 181 A HA 0.312 4.632 4.320 -0.000 0.000 0.242 181 A C 1.265 178.841 177.584 -0.014 0.000 1.075 181 A CA 0.190 52.226 52.037 -0.002 0.000 0.777 181 A CB 0.253 19.255 19.000 0.003 0.000 1.013 181 A HN 0.299 nan 8.150 nan 0.000 0.493 182 T N -1.307 113.235 114.554 -0.019 0.000 3.043 182 T HA 0.315 4.665 4.350 -0.000 0.000 0.272 182 T C 0.396 175.067 174.700 -0.048 0.000 0.990 182 T CA -0.298 61.785 62.100 -0.028 0.000 0.897 182 T CB 0.162 69.019 68.868 -0.019 0.000 1.111 182 T HN 0.537 nan 8.240 nan 0.000 0.529 183 R N 0.631 121.097 120.500 -0.057 0.000 2.621 183 R HA 0.512 4.852 4.340 -0.000 0.000 0.292 183 R C 0.357 176.579 176.300 -0.129 0.000 0.969 183 R CA -0.969 55.071 56.100 -0.101 0.000 0.887 183 R CB 1.831 32.084 30.300 -0.079 0.000 1.180 183 R HN 0.044 nan 8.270 nan 0.000 0.450 184 L N 2.901 123.979 121.223 -0.241 0.000 2.079 184 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 184 L C 2.005 178.717 176.870 -0.264 0.000 1.081 184 L CA 2.367 57.044 54.840 -0.271 0.000 0.752 184 L CB -0.457 41.287 42.059 -0.525 0.000 0.896 184 L HN 0.898 nan 8.230 nan 0.000 0.433 185 A N -1.002 121.675 122.820 -0.240 0.000 1.986 185 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 185 A C 2.122 179.659 177.584 -0.079 0.000 1.171 185 A CA 1.909 53.841 52.037 -0.175 0.000 0.640 185 A CB -0.611 18.325 19.000 -0.106 0.000 0.811 185 A HN 0.635 nan 8.150 nan 0.000 0.451 186 E N -0.455 119.719 120.200 -0.045 0.000 2.338 186 E HA -0.041 4.309 4.350 -0.000 0.000 0.197 186 E C 1.119 177.753 176.600 0.056 0.000 1.007 186 E CA 0.552 56.956 56.400 0.005 0.000 0.849 186 E CB -0.161 29.540 29.700 0.002 0.000 0.774 186 E HN 0.667 nan 8.360 nan 0.000 0.506 187 L N 0.391 121.671 121.223 0.096 0.000 2.607 187 L HA 0.059 4.399 4.340 -0.000 0.000 0.228 187 L C 1.930 179.047 176.870 0.412 0.000 1.123 187 L CA 0.020 55.005 54.840 0.243 0.000 0.890 187 L CB -0.059 42.236 42.059 0.393 0.000 1.103 187 L HN 0.052 nan 8.230 nan 0.000 0.468 188 Q N 0.574 120.528 119.800 0.257 0.000 2.197 188 Q HA -0.191 4.149 4.340 -0.000 0.000 0.207 188 Q C 1.300 177.541 176.000 0.402 0.000 0.984 188 Q CA 1.332 57.352 55.803 0.361 0.000 0.869 188 Q CB 0.164 28.991 28.738 0.148 0.000 0.906 188 Q HN 0.467 nan 8.270 nan 0.000 0.426 189 E N -0.748 119.605 120.200 0.254 0.000 2.474 189 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 189 E C 0.406 177.097 176.600 0.151 0.000 1.039 189 E CA -0.011 56.498 56.400 0.181 0.000 0.881 189 E CB 0.177 29.942 29.700 0.107 0.000 0.970 189 E HN 0.248 nan 8.360 nan 0.000 0.486 190 C N 1.590 120.991 119.300 0.168 0.000 2.656 190 C HA 0.270 4.730 4.460 -0.000 0.000 0.391 190 C C 1.065 176.021 174.990 -0.057 0.000 1.300 190 C CA -0.412 58.603 59.018 -0.004 0.000 2.302 190 C CB 0.004 27.641 27.740 -0.172 0.000 2.655 190 C HN 0.192 nan 8.230 nan 0.000 0.656 191 R N 0.094 120.492 120.500 -0.170 0.000 2.474 191 R HA 0.406 4.746 4.340 -0.000 0.000 0.295 191 R C -1.494 174.615 176.300 -0.319 0.000 0.980 191 R CA -0.104 55.925 56.100 -0.120 0.000 0.934 191 R CB 0.988 31.248 30.300 -0.068 0.000 1.101 191 R HN 0.683 nan 8.270 nan 0.000 0.469 192 W N 0.768 122.046 121.300 -0.037 0.000 2.632 192 W HA 0.509 5.169 4.660 -0.000 0.000 0.328 192 W C -0.425 176.077 176.519 -0.029 0.000 1.044 192 W CA -0.674 56.683 57.345 0.020 0.000 1.225 192 W CB 1.760 31.317 29.460 0.161 0.000 1.396 192 W HN 0.552 nan 8.180 nan 0.000 0.499 193 A N 3.727 126.693 122.820 0.244 0.000 2.343 193 A HA 0.481 4.801 4.320 -0.000 0.000 0.305 193 A C -1.013 176.789 177.584 0.365 0.000 1.308 193 A CA -0.460 51.685 52.037 0.179 0.000 0.949 193 A CB -0.354 18.698 19.000 0.086 0.000 1.148 193 A HN 0.430 nan 8.150 nan 0.000 0.545 194 F N 2.741 122.728 119.950 0.061 0.000 2.502 194 F HA 0.234 4.761 4.527 -0.000 0.000 0.371 194 F C 1.314 177.094 175.800 -0.034 0.000 1.083 194 F CA -0.436 57.572 58.000 0.014 0.000 1.174 194 F CB 0.493 39.482 39.000 -0.019 0.000 1.096 194 F HN 0.614 nan 8.300 nan 0.000 0.545 195 S N 1.506 117.274 115.700 0.114 0.000 2.687 195 S HA 0.589 5.059 4.470 -0.000 0.000 0.283 195 S C -0.029 174.537 174.600 -0.058 0.000 1.170 195 S CA -1.009 57.155 58.200 -0.060 0.000 1.008 195 S CB 1.296 64.492 63.200 -0.008 0.000 1.026 195 S HN 0.394 nan 8.310 nan 0.000 0.541 196 S N 0.747 116.336 115.700 -0.186 0.000 2.572 196 S HA 0.642 5.112 4.470 -0.000 0.000 0.279 196 S C 0.074 174.790 174.600 0.192 0.000 1.341 196 S CA -0.163 58.044 58.200 0.011 0.000 1.043 196 S CB 0.453 63.657 63.200 0.007 0.000 0.887 196 S HN 1.218 nan 8.310 nan 0.000 0.516 197 A N 3.180 126.082 122.820 0.137 0.000 2.604 197 A HA 0.693 5.013 4.320 -0.000 0.000 0.295 197 A C -2.589 175.078 177.584 0.138 0.000 1.067 197 A CA -1.369 50.758 52.037 0.149 0.000 0.683 197 A CB 0.505 19.567 19.000 0.102 0.000 1.281 197 A HN 0.482 nan 8.150 nan 0.000 0.407 198 P HA -0.141 nan 4.420 nan 0.000 0.216 198 P C 1.017 178.411 177.300 0.157 0.000 1.150 198 P CA 1.365 64.590 63.100 0.209 0.000 0.843 198 P CB 0.137 32.025 31.700 0.314 0.000 0.787 199 R N -1.115 119.475 120.500 0.150 0.000 2.320 199 R HA 0.359 4.699 4.340 -0.000 0.000 0.211 199 R C 0.720 177.032 176.300 0.021 0.000 0.931 199 R CA 0.364 56.506 56.100 0.070 0.000 1.071 199 R CB -0.213 30.105 30.300 0.030 0.000 1.025 199 R HN 0.216 nan 8.270 nan 0.000 0.495 200 G N 1.077 109.893 108.800 0.028 0.000 2.497 200 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 200 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 200 G C -2.965 171.928 174.900 -0.011 0.000 1.288 200 G CA -1.411 43.694 45.100 0.008 0.000 0.899 200 G HN -0.138 nan 8.290 nan 0.000 0.608 201 P HA 0.378 nan 4.420 nan 0.000 0.264 201 P C 1.152 178.372 177.300 -0.134 0.000 1.193 201 P CA 1.948 65.057 63.100 0.014 0.000 0.763 201 P CB 0.769 32.536 31.700 0.111 0.000 0.810 202 G N 2.724 111.342 108.800 -0.304 0.000 2.184 202 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.264 202 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.264 202 G C 1.178 175.661 174.900 -0.695 0.000 0.975 202 G CA 0.478 44.999 45.100 -0.964 0.000 0.642 202 G HN 0.684 nan 8.290 nan 0.000 0.536 203 A N -0.040 122.580 122.820 -0.333 0.000 1.940 203 A HA 0.154 4.474 4.320 -0.000 0.000 0.219 203 A C 2.361 179.833 177.584 -0.187 0.000 1.176 203 A CA 1.918 53.826 52.037 -0.215 0.000 0.631 203 A CB -0.310 18.642 19.000 -0.079 0.000 0.814 203 A HN 0.811 nan 8.150 nan 0.000 0.446 204 I N -1.168 119.311 120.570 -0.151 0.000 2.163 204 I HA -0.202 3.968 4.170 -0.000 0.000 0.240 204 I C 2.326 178.341 176.117 -0.170 0.000 1.081 204 I CA 1.239 62.482 61.300 -0.096 0.000 1.353 204 I CB -0.249 37.735 38.000 -0.027 0.000 1.054 204 I HN 0.336 nan 8.210 nan 0.000 0.407 205 I N 0.964 121.337 120.570 -0.329 0.000 2.315 205 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 205 I C 2.597 178.435 176.117 -0.464 0.000 1.117 205 I CA 1.561 62.567 61.300 -0.490 0.000 1.404 205 I CB -0.430 37.019 38.000 -0.920 0.000 1.071 205 I HN 0.053 nan 8.210 nan 0.000 0.419 206 R N 0.180 120.384 120.500 -0.493 0.000 2.081 206 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 206 R C 1.986 178.216 176.300 -0.115 0.000 1.131 206 R CA 1.626 57.532 56.100 -0.324 0.000 0.960 206 R CB -0.547 29.561 30.300 -0.319 0.000 0.856 206 R HN 0.430 nan 8.270 nan 0.000 0.436 207 N N 0.377 119.015 118.700 -0.104 0.000 2.270 207 N HA -0.064 4.676 4.740 -0.000 0.000 0.181 207 N C 1.571 177.102 175.510 0.035 0.000 1.016 207 N CA 1.189 54.218 53.050 -0.034 0.000 0.870 207 N CB -0.072 38.387 38.487 -0.047 0.000 0.979 207 N HN 0.214 nan 8.380 nan 0.000 0.431 208 A N 0.652 123.514 122.820 0.069 0.000 1.873 208 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 208 A C 1.942 179.714 177.584 0.313 0.000 1.186 208 A CA 0.795 52.952 52.037 0.200 0.000 0.616 208 A CB -0.802 18.301 19.000 0.171 0.000 0.823 208 A HN 0.089 nan 8.150 nan 0.000 0.442 209 F N 0.482 120.418 119.950 -0.024 0.000 2.095 209 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 209 F C 2.830 178.655 175.800 0.041 0.000 1.104 209 F CA 0.768 58.769 58.000 0.002 0.000 1.232 209 F CB -0.888 38.064 39.000 -0.079 0.000 0.987 209 F HN 0.271 nan 8.300 nan 0.000 0.475 210 A N 0.060 122.989 122.820 0.183 0.000 1.865 210 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 210 A C 2.364 179.969 177.584 0.036 0.000 1.191 210 A CA 1.967 54.053 52.037 0.083 0.000 0.623 210 A CB -0.775 18.245 19.000 0.033 0.000 0.826 210 A HN 0.343 nan 8.150 nan 0.000 0.444 211 R N -2.173 118.333 120.500 0.011 0.000 2.120 211 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 211 R C 1.225 177.398 176.300 -0.212 0.000 1.123 211 R CA 1.425 57.458 56.100 -0.112 0.000 0.975 211 R CB -0.330 29.868 30.300 -0.169 0.000 0.866 211 R HN 0.678 nan 8.270 nan 0.000 0.446 212 Y N -0.268 120.005 120.300 -0.045 0.000 2.462 212 Y HA 0.152 4.702 4.550 -0.000 0.000 0.293 212 Y C 1.431 177.283 175.900 -0.079 0.000 1.195 212 Y CA 0.558 58.614 58.100 -0.074 0.000 1.276 212 Y CB 0.518 38.906 38.460 -0.119 0.000 1.082 212 Y HN 0.260 nan 8.280 nan 0.000 0.514 213 G N 0.348 109.168 108.800 0.034 0.000 2.143 213 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 213 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 213 G C -0.070 174.841 174.900 0.017 0.000 0.991 213 G CA 0.040 45.149 45.100 0.016 0.000 0.689 213 G HN 0.276 nan 8.290 nan 0.000 0.522 214 L N 0.239 121.471 121.223 0.015 0.000 2.375 214 L HA 0.560 4.900 4.340 -0.000 0.000 0.268 214 L C -1.279 175.655 176.870 0.108 0.000 1.058 214 L CA -2.407 52.430 54.840 -0.004 0.000 0.803 214 L CB 0.817 42.731 42.059 -0.241 0.000 1.212 214 L HN -0.070 nan 8.230 nan 0.000 0.451 215 P HA 0.071 nan 4.420 nan 0.000 0.275 215 P C -0.730 176.732 177.300 0.271 0.000 1.270 215 P CA -0.587 62.617 63.100 0.173 0.000 0.791 215 P CB 0.326 32.116 31.700 0.150 0.000 1.089 216 E N 0.981 121.284 120.200 0.170 0.000 2.442 216 E HA 0.045 4.395 4.350 -0.000 0.000 0.262 216 E C -1.821 174.833 176.600 0.090 0.000 1.004 216 E CA -0.877 55.590 56.400 0.112 0.000 0.928 216 E CB -0.583 29.161 29.700 0.073 0.000 0.937 216 E HN 0.352 nan 8.360 nan 0.000 0.446 217 P HA 0.073 nan 4.420 nan 0.000 0.272 217 P C -0.657 176.653 177.300 0.015 0.000 1.223 217 P CA -0.064 62.769 63.100 -0.446 0.000 0.784 217 P CB 0.635 31.530 31.700 -1.343 0.000 0.923 218 K N 1.738 122.252 120.400 0.189 0.000 2.349 218 K HA 0.209 4.529 4.320 -0.000 0.000 0.288 218 K C 0.052 176.702 176.600 0.083 0.000 1.058 218 K CA -0.727 55.648 56.287 0.148 0.000 0.953 218 K CB 0.167 32.763 32.500 0.160 0.000 0.997 218 K HN 0.322 nan 8.250 nan 0.000 0.477 219 L N 3.689 124.820 121.223 -0.153 0.000 2.361 219 L HA 0.151 4.491 4.340 -0.000 0.000 0.278 219 L C 0.938 177.647 176.870 -0.270 0.000 1.113 219 L CA 0.736 55.273 54.840 -0.505 0.000 0.849 219 L CB 0.716 42.394 42.059 -0.636 0.000 1.155 219 L HN 0.784 nan 8.230 nan 0.000 0.452 220 G N 5.544 114.208 108.800 -0.226 0.000 2.497 220 G HA2 0.310 4.270 3.960 -0.000 0.000 0.210 220 G HA3 0.310 4.270 3.960 -0.000 0.000 0.210 220 G C -0.105 174.707 174.900 -0.147 0.000 1.177 220 G CA 0.859 45.880 45.100 -0.131 0.000 0.822 220 G HN 0.664 nan 8.290 nan 0.000 0.550 221 L N -3.069 118.051 121.223 -0.171 0.000 2.838 221 L HA 0.758 5.098 4.340 -0.000 0.000 0.266 221 L C -1.238 175.554 176.870 -0.130 0.000 1.040 221 L CA -1.386 53.371 54.840 -0.140 0.000 0.906 221 L CB 1.702 43.715 42.059 -0.077 0.000 1.501 221 L HN -0.160 nan 8.230 nan 0.000 0.407 222 V N 0.438 120.308 119.914 -0.074 0.000 2.370 222 V HA 0.532 4.652 4.120 -0.000 0.000 0.283 222 V C -0.548 175.536 176.094 -0.015 0.000 1.023 222 V CA -0.283 62.016 62.300 -0.001 0.000 0.857 222 V CB 1.289 33.123 31.823 0.019 0.000 0.985 222 V HN 0.944 nan 8.190 nan 0.000 0.443 223 C N 4.801 124.090 119.300 -0.019 0.000 2.335 223 C HA 0.449 4.909 4.460 -0.000 0.000 0.318 223 C C 1.257 176.159 174.990 -0.146 0.000 1.150 223 C CA -0.393 58.582 59.018 -0.071 0.000 1.466 223 C CB -0.028 27.671 27.740 -0.069 0.000 2.024 223 C HN 1.048 nan 8.230 nan 0.000 0.429 224 E N 1.809 121.934 120.200 -0.125 0.000 2.358 224 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 224 E C 0.831 177.291 176.600 -0.234 0.000 1.010 224 E CA 0.331 56.632 56.400 -0.165 0.000 0.856 224 E CB 0.321 29.977 29.700 -0.074 0.000 0.795 224 E HN 0.640 nan 8.360 nan 0.000 0.504 225 S N -0.053 115.540 115.700 -0.179 0.000 2.411 225 S HA 0.114 4.584 4.470 -0.000 0.000 0.294 225 S C 0.411 174.926 174.600 -0.143 0.000 1.115 225 S CA -0.579 57.559 58.200 -0.103 0.000 1.071 225 S CB 0.066 63.245 63.200 -0.035 0.000 0.967 225 S HN 0.053 nan 8.310 nan 0.000 0.488 226 F N 3.821 123.800 119.950 0.048 0.000 2.365 226 F HA 0.036 4.563 4.527 0.000 0.000 0.300 226 F C 1.756 177.590 175.800 0.058 0.000 1.090 226 F CA 0.382 58.416 58.000 0.056 0.000 1.408 226 F CB -0.293 38.743 39.000 0.061 0.000 1.060 226 F HN 0.577 nan 8.300 nan 0.000 0.534 227 L N 0.468 121.808 121.223 0.196 0.000 2.046 227 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 227 L C 2.324 179.266 176.870 0.119 0.000 1.077 227 L CA 2.031 56.960 54.840 0.147 0.000 0.747 227 L CB -0.980 41.144 42.059 0.108 0.000 0.896 227 L HN 0.023 nan 8.230 nan 0.000 0.432 228 A N -1.086 121.774 122.820 0.066 0.000 2.067 228 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 228 A C 2.143 179.719 177.584 -0.014 0.000 1.156 228 A CA 1.188 53.239 52.037 0.023 0.000 0.683 228 A CB -0.785 18.213 19.000 -0.004 0.000 0.808 228 A HN 0.473 nan 8.150 nan 0.000 0.455 229 L N 0.571 121.802 121.223 0.014 0.000 2.012 229 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 229 L C -0.793 176.066 176.870 -0.018 0.000 1.073 229 L CA 2.387 57.228 54.840 0.003 0.000 0.748 229 L CB -1.084 41.000 42.059 0.041 0.000 0.891 229 L HN 0.152 nan 8.230 nan 0.000 0.431 230 P HA -0.079 nan 4.420 nan 0.000 0.216 230 P C 1.606 178.697 177.300 -0.348 0.000 1.153 230 P CA 1.740 64.828 63.100 -0.020 0.000 0.848 230 P CB -0.372 31.414 31.700 0.144 0.000 0.787 231 G N -0.335 108.014 108.800 -0.753 0.000 2.422 231 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 231 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 231 G C 1.618 176.196 174.900 -0.537 0.000 1.146 231 G CA 0.607 44.815 45.100 -1.486 0.000 0.769 231 G HN 0.143 nan 8.290 nan 0.000 0.547 232 V N 0.487 120.237 119.914 -0.273 0.000 2.343 232 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 232 V C 3.013 179.053 176.094 -0.090 0.000 1.051 232 V CA 1.522 63.749 62.300 -0.121 0.000 1.036 232 V CB -0.329 31.449 31.823 -0.076 0.000 0.654 232 V HN 0.256 nan 8.190 nan 0.000 0.451 233 V N 0.225 120.077 119.914 -0.102 0.000 2.358 233 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 233 V C 2.679 178.723 176.094 -0.083 0.000 1.047 233 V CA 1.838 64.100 62.300 -0.064 0.000 1.035 233 V CB -1.046 30.758 31.823 -0.031 0.000 0.658 233 V HN 0.556 nan 8.190 nan 0.000 0.452 234 A N -1.323 121.393 122.820 -0.173 0.000 2.019 234 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 234 A C 1.813 179.207 177.584 -0.317 0.000 1.164 234 A CA 1.476 53.377 52.037 -0.228 0.000 0.644 234 A CB -0.525 18.299 19.000 -0.293 0.000 0.805 234 A HN 0.688 nan 8.150 nan 0.000 0.449 235 H N -0.693 118.335 119.070 -0.070 0.000 2.487 235 H HA 0.287 4.843 4.556 -0.000 0.000 0.290 235 H C 0.198 175.506 175.328 -0.033 0.000 1.081 235 H CA 0.644 56.672 56.048 -0.034 0.000 1.116 235 H CB 0.007 29.745 29.762 -0.040 0.000 1.560 235 H HN 0.636 nan 8.280 nan 0.000 0.548 236 S N -1.093 114.626 115.700 0.032 0.000 2.819 236 S HA 0.230 4.700 4.470 -0.000 0.000 0.299 236 S C -0.201 174.403 174.600 0.007 0.000 1.192 236 S CA -0.813 57.395 58.200 0.014 0.000 0.847 236 S CB 2.070 65.271 63.200 0.001 0.000 1.224 236 S HN -0.088 nan 8.310 nan 0.000 0.537 237 D N 0.462 120.856 120.400 -0.010 0.000 2.388 237 D HA 0.389 5.029 4.640 -0.000 0.000 0.221 237 D C -0.141 176.209 176.300 0.083 0.000 1.133 237 D CA -0.065 53.937 54.000 0.004 0.000 0.831 237 D CB -0.195 40.516 40.800 -0.148 0.000 0.962 237 D HN 0.411 nan 8.370 nan 0.000 0.502 238 L N 0.937 122.159 121.223 -0.002 0.000 2.453 238 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 238 L C 0.547 177.317 176.870 -0.167 0.000 1.182 238 L CA -0.051 54.739 54.840 -0.083 0.000 0.858 238 L CB 0.744 42.770 42.059 -0.056 0.000 1.120 238 L HN -0.211 nan 8.230 nan 0.000 0.474 239 L N 2.198 123.170 121.223 -0.418 0.000 2.360 239 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 239 L C 0.225 177.007 176.870 -0.146 0.000 1.057 239 L CA -0.191 54.319 54.840 -0.550 0.000 0.803 239 L CB 1.771 43.074 42.059 -1.261 0.000 1.207 239 L HN 0.590 nan 8.230 nan 0.000 0.445 240 T N -0.458 114.154 114.554 0.096 0.000 2.812 240 T HA 0.507 4.857 4.350 -0.000 0.000 0.294 240 T C -0.850 174.074 174.700 0.373 0.000 1.159 240 T CA -0.421 61.892 62.100 0.356 0.000 1.008 240 T CB 1.852 70.847 68.868 0.211 0.000 1.289 240 T HN 0.747 nan 8.240 nan 0.000 0.514 241 T N 1.032 115.770 114.554 0.306 0.000 2.859 241 T HA 0.769 5.119 4.350 -0.000 0.000 0.281 241 T C -0.136 174.696 174.700 0.221 0.000 1.005 241 T CA -0.821 61.404 62.100 0.209 0.000 1.025 241 T CB 0.856 69.800 68.868 0.127 0.000 0.977 241 T HN 0.846 nan 8.240 nan 0.000 0.458 242 M N 0.306 120.017 119.600 0.185 0.000 2.569 242 M HA 0.669 5.149 4.480 -0.000 0.000 0.279 242 M C -3.252 173.121 176.300 0.121 0.000 1.253 242 M CA -2.477 52.949 55.300 0.211 0.000 0.867 242 M CB 1.691 34.442 32.600 0.253 0.000 1.727 242 M HN 0.191 nan 8.290 nan 0.000 0.467 243 P HA 0.119 nan 4.420 nan 0.000 0.266 243 P C -0.087 177.273 177.300 0.100 0.000 1.195 243 P CA -0.052 63.073 63.100 0.043 0.000 0.768 243 P CB 0.577 32.257 31.700 -0.034 0.000 0.838 244 R N 2.082 122.650 120.500 0.113 0.000 2.117 244 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 244 R C 1.378 177.781 176.300 0.171 0.000 1.143 244 R CA 2.179 58.379 56.100 0.166 0.000 0.968 244 R CB -0.818 29.564 30.300 0.137 0.000 0.863 244 R HN 0.410 nan 8.270 nan 0.000 0.444 245 T N 1.633 116.256 114.554 0.114 0.000 2.699 245 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 245 T C 1.629 176.362 174.700 0.055 0.000 1.036 245 T CA 1.454 63.594 62.100 0.067 0.000 1.147 245 T CB -0.254 68.630 68.868 0.027 0.000 0.862 245 T HN 0.191 nan 8.240 nan 0.000 0.446 246 L N 0.280 121.542 121.223 0.064 0.000 2.056 246 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 246 L C 2.138 179.086 176.870 0.130 0.000 1.078 246 L CA 1.575 56.464 54.840 0.080 0.000 0.749 246 L CB -0.905 41.199 42.059 0.075 0.000 0.901 246 L HN 0.299 nan 8.230 nan 0.000 0.433 247 Y N 0.786 121.121 120.300 0.059 0.000 2.165 247 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 247 Y C 2.292 178.225 175.900 0.055 0.000 1.155 247 Y CA 2.240 60.378 58.100 0.064 0.000 1.164 247 Y CB -0.227 38.268 38.460 0.058 0.000 0.978 247 Y HN 0.420 nan 8.280 nan 0.000 0.513 248 E N -0.125 120.008 120.200 -0.111 0.000 2.216 248 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 248 E C 0.360 176.887 176.600 -0.121 0.000 0.988 248 E CA 0.509 56.802 56.400 -0.179 0.000 0.834 248 E CB 0.074 29.751 29.700 -0.038 0.000 0.772 248 E HN 0.345 nan 8.360 nan 0.000 0.479 249 R N 1.551 122.018 120.500 -0.054 0.000 2.494 249 R HA 0.226 4.566 4.340 -0.000 0.000 0.284 249 R C -0.995 175.310 176.300 0.008 0.000 1.525 249 R CA -0.333 55.750 56.100 -0.027 0.000 1.460 249 R CB 0.314 30.606 30.300 -0.014 0.000 1.134 249 R HN 0.150 nan 8.270 nan 0.000 0.592 250 N N -1.433 117.272 118.700 0.009 0.000 2.934 250 N HA 0.312 5.052 4.740 -0.000 0.000 0.253 250 N C -0.081 175.459 175.510 0.050 0.000 1.466 250 N CA -0.901 52.196 53.050 0.078 0.000 0.858 250 N CB 1.053 39.633 38.487 0.154 0.000 1.459 250 N HN 0.021 nan 8.380 nan 0.000 0.532 251 A N -0.791 122.075 122.820 0.077 0.000 2.206 251 A HA 0.251 4.571 4.320 -0.000 0.000 0.211 251 A C 0.036 177.371 177.584 -0.415 0.000 1.158 251 A CA 0.427 52.355 52.037 -0.182 0.000 0.761 251 A CB -0.875 17.950 19.000 -0.293 0.000 0.801 251 A HN 0.560 nan 8.150 nan 0.000 0.473 252 F N -0.852 119.098 119.950 -0.001 0.000 2.764 252 F HA 0.261 4.788 4.527 -0.000 0.000 0.310 252 F C 1.441 177.222 175.800 -0.032 0.000 1.124 252 F CA -0.456 57.538 58.000 -0.009 0.000 1.252 252 F CB 0.379 39.380 39.000 0.002 0.000 1.010 252 F HN -0.007 nan 8.300 nan 0.000 0.518 253 K N 0.466 120.893 120.400 0.045 0.000 2.059 253 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 253 K C 1.132 177.726 176.600 -0.010 0.000 1.050 253 K CA 2.031 58.295 56.287 -0.038 0.000 0.927 253 K CB -0.149 32.287 32.500 -0.107 0.000 0.714 253 K HN 0.118 nan 8.250 nan 0.000 0.447 254 D N 0.434 120.831 120.400 -0.005 0.000 2.309 254 D HA -0.112 4.528 4.640 -0.000 0.000 0.212 254 D C 1.093 177.411 176.300 0.030 0.000 0.968 254 D CA 1.054 55.058 54.000 0.006 0.000 0.882 254 D CB 0.101 40.896 40.800 -0.008 0.000 0.918 254 D HN 0.335 nan 8.370 nan 0.000 0.503 255 Q N -0.651 119.182 119.800 0.055 0.000 2.219 255 Q HA 0.295 4.635 4.340 -0.000 0.000 0.209 255 Q C 0.040 176.075 176.000 0.060 0.000 0.854 255 Q CA 0.016 55.848 55.803 0.047 0.000 0.960 255 Q CB 1.318 30.078 28.738 0.037 0.000 1.116 255 Q HN 0.185 nan 8.270 nan 0.000 0.500 256 L N -0.340 120.943 121.223 0.099 0.000 2.354 256 L HA 0.613 4.953 4.340 -0.000 0.000 0.264 256 L C -0.991 176.012 176.870 0.220 0.000 1.008 256 L CA -0.991 53.942 54.840 0.154 0.000 0.819 256 L CB 2.407 44.595 42.059 0.215 0.000 1.339 256 L HN -0.034 nan 8.230 nan 0.000 0.420 257 C N 0.391 119.820 119.300 0.214 0.000 2.782 257 C HA 0.467 4.927 4.460 -0.000 0.000 0.328 257 C C 0.123 175.115 174.990 0.004 0.000 1.145 257 C CA -1.014 58.118 59.018 0.190 0.000 1.358 257 C CB 1.983 29.778 27.740 0.093 0.000 1.841 257 C HN 0.866 nan 8.230 nan 0.000 0.477 258 S N 3.267 118.837 115.700 -0.217 0.000 2.580 258 S HA 0.615 5.085 4.470 -0.000 0.000 0.274 258 S C -0.301 174.191 174.600 -0.181 0.000 1.329 258 S CA -0.445 57.493 58.200 -0.436 0.000 1.036 258 S CB 0.386 63.160 63.200 -0.710 0.000 0.919 258 S HN 0.510 nan 8.310 nan 0.000 0.515 259 I N 3.396 123.874 120.570 -0.154 0.000 2.416 259 I HA 0.267 4.437 4.170 -0.000 0.000 0.288 259 I C -1.819 174.257 176.117 -0.068 0.000 1.051 259 I CA -2.751 58.495 61.300 -0.090 0.000 1.375 259 I CB 0.237 38.189 38.000 -0.080 0.000 1.407 259 I HN 0.542 nan 8.210 nan 0.000 0.516 260 P HA 0.209 nan 4.420 nan 0.000 0.218 260 P C -0.180 177.103 177.300 -0.029 0.000 1.793 260 P CA -0.198 62.884 63.100 -0.031 0.000 0.941 260 P CB -0.056 31.635 31.700 -0.015 0.000 1.919 261 L N 0.916 122.116 121.223 -0.037 0.000 2.456 261 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 261 L C 1.623 178.470 176.870 -0.037 0.000 1.189 261 L CA 0.296 55.109 54.840 -0.044 0.000 0.846 261 L CB 0.179 42.204 42.059 -0.057 0.000 1.111 261 L HN 0.125 nan 8.230 nan 0.000 0.475 262 Q N 0.764 120.541 119.800 -0.039 0.000 2.220 262 Q HA 0.124 4.464 4.340 -0.000 0.000 0.205 262 Q C -0.844 175.142 176.000 -0.023 0.000 0.865 262 Q CA -0.197 55.593 55.803 -0.023 0.000 0.960 262 Q CB 0.613 29.343 28.738 -0.013 0.000 1.097 262 Q HN 0.564 nan 8.270 nan 0.000 0.493 263 D N 1.124 121.481 120.400 -0.072 0.000 2.249 263 D HA 0.290 4.930 4.640 -0.000 0.000 0.246 263 D C -0.372 175.919 176.300 -0.016 0.000 1.114 263 D CA -0.083 53.861 54.000 -0.094 0.000 0.854 263 D CB 1.342 41.872 40.800 -0.450 0.000 1.132 263 D HN 0.144 nan 8.370 nan 0.000 0.461 264 A N 3.141 126.034 122.820 0.121 0.000 2.477 264 A HA 0.383 4.703 4.320 -0.000 0.000 0.246 264 A C 0.117 177.786 177.584 0.142 0.000 1.078 264 A CA -0.077 52.027 52.037 0.111 0.000 0.770 264 A CB 0.174 19.238 19.000 0.106 0.000 1.011 264 A HN 0.585 nan 8.150 nan 0.000 0.494 265 L N 2.937 124.207 121.223 0.078 0.000 2.334 265 L HA 0.486 4.826 4.340 -0.000 0.000 0.270 265 L C -1.830 175.076 176.870 0.060 0.000 1.018 265 L CA -2.156 52.731 54.840 0.078 0.000 0.811 265 L CB 1.212 43.297 42.059 0.044 0.000 1.271 265 L HN 0.517 nan 8.230 nan 0.000 0.443 266 P HA 0.107 nan 4.420 nan 0.000 0.272 266 P C -1.261 176.046 177.300 0.011 0.000 1.240 266 P CA -0.366 62.756 63.100 0.036 0.000 0.791 266 P CB 0.476 32.206 31.700 0.049 0.000 0.978 267 N N 1.157 119.850 118.700 -0.011 0.000 2.746 267 N HA 0.244 4.984 4.740 -0.000 0.000 0.250 267 N C -2.592 172.876 175.510 -0.070 0.000 1.146 267 N CA -1.074 51.946 53.050 -0.050 0.000 0.828 267 N CB 1.013 39.455 38.487 -0.074 0.000 1.158 267 N HN 0.245 nan 8.380 nan 0.000 0.519 268 P HA 0.079 nan 4.420 nan 0.000 0.268 268 P C -0.231 176.992 177.300 -0.129 0.000 1.204 268 P CA 0.248 63.298 63.100 -0.084 0.000 0.768 268 P CB 0.615 32.283 31.700 -0.053 0.000 0.842 269 T N 4.280 118.739 114.554 -0.159 0.000 2.780 269 T HA 0.316 4.666 4.350 -0.000 0.000 0.294 269 T C 0.439 174.967 174.700 -0.286 0.000 0.949 269 T CA -0.246 61.684 62.100 -0.284 0.000 1.074 269 T CB 0.097 68.727 68.868 -0.396 0.000 0.910 269 T HN 0.134 nan 8.240 nan 0.000 0.501 270 I N 3.760 124.179 120.570 -0.251 0.000 2.365 270 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 270 I C -0.283 175.682 176.117 -0.254 0.000 1.004 270 I CA -0.798 60.439 61.300 -0.106 0.000 1.311 270 I CB 0.290 38.323 38.000 0.056 0.000 1.401 270 I HN 0.616 nan 8.210 nan 0.000 0.491 271 Y N 3.776 124.085 120.300 0.016 0.000 2.562 271 Y HA 0.472 5.022 4.550 -0.000 0.000 0.343 271 Y C 0.166 176.083 175.900 0.027 0.000 1.025 271 Y CA -1.012 57.088 58.100 0.000 0.000 1.082 271 Y CB 1.815 40.249 38.460 -0.043 0.000 1.264 271 Y HN 0.170 nan 8.280 nan 0.000 0.478 272 V N 4.382 124.406 119.914 0.183 0.000 2.389 272 V HA 0.214 4.334 4.120 -0.000 0.000 0.264 272 V C -0.202 175.971 176.094 0.131 0.000 1.049 272 V CA -0.445 61.926 62.300 0.118 0.000 0.932 272 V CB -0.056 31.744 31.823 -0.038 0.000 1.011 272 V HN 0.477 nan 8.190 nan 0.000 0.475 273 L N 6.736 128.057 121.223 0.162 0.000 2.317 273 L HA 0.703 5.043 4.340 -0.000 0.000 0.281 273 L C 0.198 177.162 176.870 0.157 0.000 1.024 273 L CA -0.491 54.413 54.840 0.107 0.000 0.810 273 L CB 1.599 43.703 42.059 0.076 0.000 1.240 273 L HN 0.618 nan 8.230 nan 0.000 0.427 274 R N 1.402 121.973 120.500 0.118 0.000 2.817 274 R HA 0.453 4.793 4.340 -0.000 0.000 0.268 274 R C -0.938 175.430 176.300 0.113 0.000 1.027 274 R CA -1.123 55.059 56.100 0.137 0.000 0.928 274 R CB 2.292 32.666 30.300 0.124 0.000 1.228 274 R HN 0.465 nan 8.270 nan 0.000 0.469 275 R N 1.009 121.571 120.500 0.104 0.000 2.296 275 R HA 0.001 4.341 4.340 -0.000 0.000 0.323 275 R C 0.795 177.154 176.300 0.098 0.000 1.067 275 R CA 0.136 56.292 56.100 0.095 0.000 0.946 275 R CB 0.266 30.608 30.300 0.069 0.000 0.991 275 R HN 0.683 nan 8.270 nan 0.000 0.448 276 H N 3.265 122.348 119.070 0.022 0.000 2.352 276 H HA -0.164 4.392 4.556 -0.000 0.000 0.299 276 H C 1.105 176.442 175.328 0.015 0.000 1.097 276 H CA 2.533 58.589 56.048 0.013 0.000 1.311 276 H CB 0.296 30.059 29.762 0.002 0.000 1.377 276 H HN 0.822 nan 8.280 nan 0.000 0.504 277 D N 0.035 120.393 120.400 -0.069 0.000 2.363 277 D HA -0.049 4.591 4.640 -0.000 0.000 0.226 277 D C 0.157 176.402 176.300 -0.091 0.000 1.020 277 D CA 0.076 54.006 54.000 -0.118 0.000 0.892 277 D CB -0.541 40.254 40.800 -0.009 0.000 0.900 277 D HN 0.364 nan 8.370 nan 0.000 0.531 278 L N 1.704 122.891 121.223 -0.060 0.000 2.290 278 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 278 L C -2.049 174.793 176.870 -0.047 0.000 1.078 278 L CA -1.964 52.857 54.840 -0.030 0.000 0.815 278 L CB 0.663 42.726 42.059 0.007 0.000 1.162 278 L HN -0.172 nan 8.230 nan 0.000 0.435 279 P HA 0.035 nan 4.420 nan 0.000 0.276 279 P C -0.260 177.037 177.300 -0.005 0.000 1.253 279 P CA -0.125 62.955 63.100 -0.032 0.000 0.766 279 P CB 1.421 33.107 31.700 -0.023 0.000 0.845 280 V N 4.910 124.822 119.914 -0.005 0.000 2.585 280 V HA 0.098 4.218 4.120 -0.000 0.000 0.296 280 V C 0.787 176.899 176.094 0.029 0.000 1.035 280 V CA 0.183 62.495 62.300 0.019 0.000 1.084 280 V CB 0.416 32.239 31.823 0.000 0.000 0.953 280 V HN 0.837 nan 8.190 nan 0.000 0.483 281 T N 5.217 119.802 114.554 0.052 0.000 2.898 281 T HA 0.283 4.633 4.350 -0.000 0.000 0.301 281 T C -1.628 173.113 174.700 0.069 0.000 1.049 281 T CA -0.959 61.176 62.100 0.060 0.000 1.095 281 T CB 0.963 69.877 68.868 0.078 0.000 0.976 281 T HN 0.585 nan 8.240 nan 0.000 0.539 282 P HA -0.103 nan 4.420 nan 0.000 0.216 282 P C 1.709 179.093 177.300 0.140 0.000 1.153 282 P CA 1.688 64.874 63.100 0.142 0.000 0.858 282 P CB -0.271 31.553 31.700 0.207 0.000 0.789 283 A N -0.143 122.777 122.820 0.167 0.000 1.877 283 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 283 A C 2.335 179.931 177.584 0.020 0.000 1.186 283 A CA 2.196 54.274 52.037 0.068 0.000 0.620 283 A CB -1.628 17.501 19.000 0.215 0.000 0.822 283 A HN 0.194 nan 8.150 nan 0.000 0.443 284 A N -0.142 122.712 122.820 0.057 0.000 1.902 284 A HA 0.145 4.465 4.320 -0.000 0.000 0.217 284 A C 2.509 180.053 177.584 -0.067 0.000 1.181 284 A CA 2.146 54.213 52.037 0.050 0.000 0.623 284 A CB -1.051 18.046 19.000 0.161 0.000 0.818 284 A HN 1.105 nan 8.150 nan 0.000 0.443 285 A N -0.470 122.322 122.820 -0.046 0.000 1.940 285 A HA 0.076 4.396 4.320 -0.000 0.000 0.219 285 A C 2.400 179.944 177.584 -0.066 0.000 1.176 285 A CA 2.022 54.012 52.037 -0.078 0.000 0.631 285 A CB -1.368 17.618 19.000 -0.024 0.000 0.814 285 A HN 0.740 nan 8.150 nan 0.000 0.446 286 G N -0.337 108.455 108.800 -0.013 0.000 2.402 286 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 286 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 286 G C 1.470 176.528 174.900 0.263 0.000 1.162 286 G CA 1.167 46.335 45.100 0.113 0.000 0.777 286 G HN 0.504 nan 8.290 nan 0.000 0.539 287 L N 0.825 122.083 121.223 0.059 0.000 2.056 287 L HA 0.111 4.451 4.340 -0.000 0.000 0.207 287 L C 2.636 179.433 176.870 -0.123 0.000 1.078 287 L CA 1.300 56.033 54.840 -0.179 0.000 0.749 287 L CB -0.497 41.100 42.059 -0.771 0.000 0.901 287 L HN 0.265 nan 8.230 nan 0.000 0.433 288 I N -0.483 119.914 120.570 -0.290 0.000 2.226 288 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 288 I C 2.738 178.753 176.117 -0.170 0.000 1.100 288 I CA 1.556 62.626 61.300 -0.383 0.000 1.374 288 I CB -0.423 37.251 38.000 -0.543 0.000 1.057 288 I HN 0.340 nan 8.210 nan 0.000 0.413 289 R N 0.528 120.950 120.500 -0.130 0.000 2.103 289 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 289 R C 2.177 178.407 176.300 -0.116 0.000 1.142 289 R CA 2.107 58.110 56.100 -0.162 0.000 0.960 289 R CB -0.461 29.688 30.300 -0.252 0.000 0.858 289 R HN 0.355 nan 8.270 nan 0.000 0.439 290 W N 0.523 121.872 121.300 0.082 0.000 2.388 290 W HA -0.016 4.644 4.660 -0.000 0.000 0.294 290 W C 2.069 178.699 176.519 0.185 0.000 1.212 290 W CA 0.471 57.918 57.345 0.171 0.000 1.271 290 W CB -0.053 29.567 29.460 0.267 0.000 1.126 290 W HN 0.078 nan 8.180 nan 0.000 0.535 291 I N -0.064 120.678 120.570 0.288 0.000 2.179 291 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 291 I C 2.603 178.788 176.117 0.112 0.000 1.088 291 I CA 1.153 62.553 61.300 0.167 0.000 1.357 291 I CB -0.716 37.294 38.000 0.017 0.000 1.051 291 I HN 0.001 nan 8.210 nan 0.000 0.409 292 Q N -0.077 119.750 119.800 0.045 0.000 2.096 292 Q HA -0.301 4.039 4.340 -0.000 0.000 0.204 292 Q C 2.198 178.217 176.000 0.032 0.000 0.982 292 Q CA 2.035 57.848 55.803 0.016 0.000 0.850 292 Q CB -0.697 28.024 28.738 -0.028 0.000 0.901 292 Q HN 0.613 nan 8.270 nan 0.000 0.422 293 H N 0.128 119.167 119.070 -0.050 0.000 2.352 293 H HA -0.127 4.429 4.556 0.000 0.000 0.299 293 H C 1.588 176.833 175.328 -0.137 0.000 1.097 293 H CA 1.853 57.822 56.048 -0.131 0.000 1.311 293 H CB 0.038 29.673 29.762 -0.211 0.000 1.377 293 H HN 0.287 nan 8.280 nan 0.000 0.504 294 H N -0.977 118.075 119.070 -0.031 0.000 2.551 294 H HA 0.335 4.891 4.556 -0.000 0.000 0.266 294 H C 1.127 176.381 175.328 -0.122 0.000 0.964 294 H CA 0.755 56.733 56.048 -0.116 0.000 1.180 294 H CB 0.148 29.924 29.762 0.024 0.000 1.408 294 H HN 0.463 nan 8.280 nan 0.000 0.563 295 A N 1.250 124.065 122.820 -0.008 0.000 2.579 295 A HA 0.320 4.640 4.320 -0.000 0.000 0.273 295 A C 0.253 177.855 177.584 0.031 0.000 1.363 295 A CA -0.151 51.842 52.037 -0.073 0.000 0.953 295 A CB -0.922 18.054 19.000 -0.041 0.000 1.034 295 A HN 0.236 nan 8.150 nan 0.000 0.536 296 L N 0.000 121.219 121.223 -0.006 0.000 2.949 296 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 296 L CA 0.000 54.859 54.840 0.032 0.000 0.813 296 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502