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_F 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 3.443 124.694 121.223 0.047 0.000 2.483 2 L HA 0.243 4.583 4.340 0.000 0.000 0.276 2 L C -0.009 176.894 176.870 0.056 0.000 1.213 2 L CA 0.341 55.226 54.840 0.075 0.000 0.843 2 L CB 0.265 42.402 42.059 0.131 0.000 1.107 2 L HN 0.604 nan 8.230 nan 0.000 0.487 3 K N 2.013 122.448 120.400 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 1.582 34.101 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 0.041 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 56.862 54.840 0.038 0.000 0.749 4 L CB -0.411 41.663 42.059 0.024 0.000 0.893 4 L HN 0.892 nan 8.230 nan 0.000 0.432 5 Q N -1.385 118.434 119.800 0.032 0.000 2.135 5 Q HA -0.220 4.121 4.340 0.000 0.000 0.204 5 Q C 1.825 177.847 176.000 0.037 0.000 0.981 5 Q CA 2.339 58.159 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 1.418 116.000 114.554 0.046 0.000 2.821 6 T HA -0.068 4.282 4.350 0.000 0.000 0.267 6 T C 1.825 176.576 174.700 0.085 0.000 1.046 6 T CA 0.944 63.077 62.100 0.055 0.000 1.139 6 T CB -0.113 68.785 68.868 0.050 0.000 0.871 6 T HN 0.250 nan 8.240 nan 0.000 0.454 7 L N 0.805 122.090 121.223 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 1.543 56.459 54.840 0.126 0.000 0.748 7 L CB -0.715 41.401 42.059 0.094 0.000 0.891 7 L HN 0.326 nan 8.230 nan 0.000 0.431 8 Q N -0.204 119.626 119.800 0.049 0.000 2.124 8 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 8 Q C 2.433 178.454 176.000 0.034 0.000 0.977 8 Q CA 1.614 57.435 55.803 0.031 0.000 0.850 8 Q CB -0.276 28.474 28.738 0.020 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 4.148 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 1.105 53.163 52.037 0.036 0.000 0.623 9 A CB -0.549 18.471 19.000 0.033 0.000 0.818 9 A HN 0.336 nan 8.150 nan 0.000 0.443 10 L N -0.075 121.188 121.223 0.066 0.000 2.056 10 L HA -0.081 4.260 4.340 0.000 0.000 0.207 10 L C 2.216 179.127 176.870 0.069 0.000 1.078 10 L CA 1.615 56.505 54.840 0.082 0.000 0.749 10 L CB -0.447 41.697 42.059 0.142 0.000 0.901 10 L HN 0.433 nan 8.230 nan 0.000 0.433 11 I N -1.567 119.038 120.570 0.059 0.000 2.163 11 I HA -0.391 3.779 4.170 0.000 0.000 0.243 11 I C 2.768 178.900 176.117 0.024 0.000 1.085 11 I CA 1.505 62.826 61.300 0.035 0.000 1.347 11 I CB -0.575 37.436 38.000 0.018 0.000 1.044 11 I HN 0.477 nan 8.210 nan 0.000 0.408 12 C N 1.183 120.496 119.300 0.022 0.000 2.429 12 C HA -0.165 4.295 4.460 0.000 0.000 0.277 12 C C 2.767 177.768 174.990 0.019 0.000 1.262 12 C CA 0.822 59.850 59.018 0.016 0.000 1.733 12 C CB -0.907 26.842 27.740 0.015 0.000 2.010 12 C HN 0.408 nan 8.230 nan 0.000 0.483 13 I N 0.854 121.439 120.570 0.025 0.000 2.163 13 I HA -0.203 3.968 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 -0.666 37.352 38.000 0.030 0.000 1.044 13 I HN 0.440 nan 8.210 nan 0.000 0.408 14 E N 1.385 121.602 120.200 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 1.540 57.955 56.400 0.025 0.000 0.801 14 E CB -0.139 29.580 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 2.158 178.762 176.600 0.006 0.000 0.994 15 E CA 1.948 58.351 56.400 0.006 0.000 0.801 15 E CB -0.110 29.592 29.700 0.004 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 1.440 177.539 176.094 0.007 0.000 1.272 16 V CA 0.769 63.074 62.300 0.007 0.000 1.080 16 V CB 0.351 32.178 31.823 0.007 0.000 0.816 16 V HN 0.247 nan 8.190 nan 0.000 0.451 17 G N -0.257 108.549 108.800 0.010 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 0.228 175.133 174.900 0.009 0.000 0.976 17 G CA 0.782 45.888 45.100 0.009 0.000 0.655 17 G HN 1.642 nan 8.290 nan 0.000 0.533 18 S N -2.208 113.498 115.700 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 0.987 64.192 63.200 0.007 0.000 1.094 18 S HN 1.754 nan 8.310 nan 0.000 0.474 19 L N 1.447 122.676 121.223 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 39.626 42.059 0.009 0.000 0.898 19 L HN 1.258 nan 8.230 nan 0.000 0.433 20 R N -0.208 120.296 120.500 0.007 0.000 2.091 20 R HA 0.078 4.418 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 2.682 58.786 56.100 0.007 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 0.512 123.336 122.820 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 0.007 0.000 0.815 21 A HN 0.927 nan 8.150 nan 0.000 0.443 22 A N -0.045 122.781 122.820 0.010 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 0.011 0.000 1.186 22 A CA 1.913 53.957 52.037 0.011 0.000 0.616 22 A CB -1.127 17.881 19.000 0.014 0.000 0.823 22 A HN 1.070 nan 8.150 nan 0.000 0.442 23 A N -1.176 121.650 122.820 0.010 0.000 1.917 23 A HA -0.122 4.198 4.320 0.000 0.000 0.219 23 A C 2.429 180.019 177.584 0.009 0.000 1.182 23 A CA 3.045 55.088 52.037 0.009 0.000 0.633 23 A CB -1.262 17.743 19.000 0.008 0.000 0.819 23 A HN 0.889 nan 8.150 nan 0.000 0.448 24 Q N -1.420 118.385 119.800 0.008 0.000 2.061 24 Q HA 0.041 4.381 4.340 0.000 0.000 0.204 24 Q C 2.608 178.613 176.000 0.008 0.000 0.984 24 Q CA 3.086 58.894 55.803 0.008 0.000 0.846 24 Q CB -1.830 nan 28.738 nan 0.000 0.902 24 Q HN 1.479 nan 8.270 nan 0.000 0.421 25 L N -0.266 120.962 121.223 0.009 0.000 2.083 25 L HA 0.401 4.741 4.340 0.000 0.000 0.209 25 L C 3.033 179.908 176.870 0.010 0.000 1.083 25 L CA 2.507 57.352 54.840 0.009 0.000 0.752 25 L CB -1.785 nan 42.059 nan 0.000 0.899 25 L HN 1.098 nan 8.230 nan 0.000 0.433 26 L N -2.003 119.226 121.223 0.010 0.000 2.612 26 L HA 0.447 4.787 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 1.583 56.429 54.840 0.011 0.000 0.896 26 L CB -2.609 nan 42.059 nan 0.000 1.065 26 L HN 2.238 nan 8.230 nan 0.000 0.447 27 H N -3.059 116.016 119.070 0.009 0.000 2.677 27 H HA 0.357 4.913 4.556 0.000 0.000 0.321 27 H C 0.073 175.406 175.328 0.008 0.000 1.171 27 H CA 0.696 56.749 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 0.170 121.398 121.223 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 0.982 116.686 115.700 0.006 0.000 2.546 29 S HA 0.371 4.842 4.470 0.000 0.000 0.290 29 S C 1.508 176.112 174.600 0.006 0.000 1.290 29 S CA 1.238 59.441 58.200 0.005 0.000 1.069 29 S CB 0.895 64.098 63.200 0.005 0.000 0.846 29 S HN 2.248 nan 8.310 nan 0.000 0.495 30 Q N 4.484 124.288 119.800 0.005 0.000 2.152 30 Q HA -0.066 4.274 4.340 0.000 0.000 0.206 30 Q C -0.504 175.499 176.000 0.005 0.000 0.985 30 Q CA 2.077 57.883 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 1.433 178.734 177.300 0.003 0.000 1.155 31 P CA 1.331 64.433 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 0.084 122.906 122.820 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 1.422 53.462 52.037 0.004 0.000 0.623 32 A CB -1.616 17.387 19.000 0.005 0.000 0.818 32 A HN 0.144 nan 8.150 nan 0.000 0.443 33 L N 0.051 121.278 121.223 0.007 0.000 2.012 33 L HA -0.137 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 -0.962 41.103 42.059 0.010 0.000 0.891 33 L HN 0.299 nan 8.230 nan 0.000 0.431 34 S N -0.269 115.434 115.700 0.005 0.000 2.359 34 S HA -0.220 4.250 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 1.231 59.432 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 1.652 124.471 122.820 -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 2.176 54.211 52.037 -0.003 0.000 0.637 35 A CB -1.298 17.702 19.000 -0.001 0.000 0.827 35 A HN 0.569 nan 8.150 nan 0.000 0.450 36 A N -0.288 122.532 122.820 -0.000 0.000 1.877 36 A HA -0.044 4.276 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 1.649 53.687 52.037 0.002 0.000 0.620 36 A CB -0.508 18.497 19.000 0.009 0.000 0.822 36 A HN 0.446 nan 8.150 nan 0.000 0.443 37 I N -0.472 120.097 120.570 -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 1.833 63.128 61.300 -0.009 0.000 1.357 37 I CB -1.496 36.503 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 2.224 178.204 176.000 -0.034 0.000 0.980 38 Q CA 1.664 57.451 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 -0.972 118.812 119.800 -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 1.475 57.261 55.803 -0.029 0.000 0.840 39 Q CB -0.199 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 0.965 122.157 121.223 -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 -0.306 41.700 42.059 -0.089 0.000 0.896 40 L HN 0.215 nan 8.230 nan 0.000 0.432 41 E N -0.660 119.470 120.200 -0.117 0.000 2.047 41 E HA -0.208 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 1.271 57.596 56.400 -0.127 0.000 0.799 41 E CB -0.162 29.486 29.700 -0.087 0.000 0.752 41 E HN 0.505 nan 8.360 nan 0.000 0.449 42 D N 0.680 121.033 120.400 -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 1.095 55.055 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 -0.204 119.950 120.200 -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 0.640 121.785 121.223 -0.130 0.000 2.450 44 L HA -0.108 4.232 4.340 0.000 0.000 0.224 44 L C 0.608 177.370 176.870 -0.180 0.000 1.149 44 L CA 0.824 55.565 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 0.146 nan 8.230 nan 0.000 0.449 45 K N -0.663 119.644 120.400 -0.156 0.000 3.035 45 K HA -0.197 4.124 4.320 0.000 0.000 0.262 45 K C -0.144 176.312 176.600 -0.239 0.000 1.024 45 K CA 0.400 56.593 56.287 -0.157 0.000 0.748 45 K CB -1.537 30.888 32.500 -0.125 0.000 1.247 45 K HN 0.415 nan 8.250 nan 0.000 0.482 46 A N 0.485 123.137 122.820 -0.281 0.000 2.488 46 A HA 0.571 4.891 4.320 0.000 0.000 0.298 46 A C -2.709 174.752 177.584 -0.206 0.000 1.044 46 A CA -1.429 50.356 52.037 -0.420 0.000 0.693 46 A CB 1.305 19.825 19.000 -0.799 0.000 1.272 46 A HN -0.059 nan 8.150 nan 0.000 0.402 47 P HA 0.269 nan 4.420 nan 0.000 0.271 47 P C 0.155 177.528 177.300 0.121 0.000 1.220 47 P CA -0.009 63.118 63.100 0.046 0.000 0.768 47 P CB 0.897 32.657 31.700 0.100 0.000 0.848 48 L N 2.025 123.273 121.223 0.043 0.000 2.470 48 L HA 0.242 4.582 4.340 0.000 0.000 0.219 48 L C 0.935 177.842 176.870 0.063 0.000 1.071 48 L CA 0.435 55.308 54.840 0.055 0.000 0.850 48 L CB -0.046 41.997 42.059 -0.028 0.000 1.040 48 L HN 0.284 nan 8.230 nan 0.000 0.475 49 L N 0.222 121.472 121.223 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 0.032 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 -1.737 118.192 119.914 0.025 0.000 2.638 50 V HA 0.745 4.865 4.120 0.000 0.000 0.306 50 V C 0.068 176.170 176.094 0.013 0.000 1.052 50 V CA -0.936 61.375 62.300 0.019 0.000 0.885 50 V CB 1.325 33.157 31.823 0.015 0.000 0.999 50 V HN 0.847 nan 8.190 nan 0.000 0.424 51 R N 1.639 122.146 120.500 0.011 0.000 2.421 51 R HA 0.610 4.950 4.340 0.000 0.000 0.305 51 R C 0.517 176.820 176.300 0.006 0.000 1.039 51 R CA 0.480 56.585 56.100 0.008 0.000 1.003 51 R CB -0.553 nan 30.300 nan 0.000 0.959 51 R HN 1.458 nan 8.270 nan 0.000 0.427 52 T N -1.685 112.873 114.554 0.005 0.000 2.919 52 T HA 0.627 4.977 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 -0.006 62.096 62.100 0.003 0.000 0.994 52 T CB 1.405 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 -0.288 120.113 120.400 0.002 0.000 2.097 53 K HA 0.065 4.385 4.320 0.000 0.000 0.206 53 K C 2.557 179.158 176.600 0.002 0.000 1.049 53 K CA 2.007 58.295 56.287 0.002 0.000 0.933 53 K CB -1.656 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 0.051 120.552 120.500 0.002 0.000 2.310 54 R HA 0.497 4.838 4.340 0.000 0.000 0.202 54 R C 1.781 178.084 176.300 0.004 0.000 0.933 54 R CA 1.468 57.570 56.100 0.002 0.000 1.054 54 R CB -0.827 29.474 30.300 0.002 0.000 0.985 54 R HN 1.318 nan 8.270 nan 0.000 0.489 55 G N -1.460 107.343 108.800 0.004 0.000 1.930 55 G HA2 0.211 4.171 3.960 0.000 0.000 0.054 55 G HA3 0.211 4.171 3.960 0.000 0.000 0.054 55 G C -0.620 174.284 174.900 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 -0.073 176.028 176.094 0.012 0.000 1.084 56 V CA -0.079 62.228 62.300 0.012 0.000 0.963 56 V CB 1.417 33.249 31.823 0.014 0.000 1.025 56 V HN 1.322 nan 8.190 nan 0.000 0.432 57 S N 1.444 117.152 115.700 0.013 0.000 2.599 57 S HA 0.784 5.255 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 -0.761 57.447 58.200 0.013 0.000 0.899 57 S CB 1.490 64.694 63.200 0.006 0.000 1.100 57 S HN 0.763 nan 8.310 nan 0.000 0.482 58 L N 3.399 124.637 121.223 0.024 0.000 2.416 58 L HA 0.291 4.631 4.340 0.000 0.000 0.272 58 L C 1.259 178.141 176.870 0.020 0.000 1.161 58 L CA -0.497 54.365 54.840 0.036 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 -1.368 113.204 114.554 0.030 0.000 2.667 59 T HA 0.030 4.380 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 61.883 62.100 -0.012 0.000 0.995 59 T CB 0.793 69.690 68.868 0.049 0.000 1.026 59 T HN 0.746 nan 8.240 nan 0.000 0.527 60 S N 0.553 116.126 115.700 -0.212 0.000 2.374 60 S HA -0.178 4.292 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 1.210 59.250 58.200 -0.268 0.000 1.024 60 S CB -1.192 61.738 63.200 -0.450 0.000 0.861 60 S HN 0.640 nan 8.310 nan 0.000 0.456 61 F N 2.830 122.802 119.950 0.037 0.000 2.102 61 F HA 0.167 4.694 4.527 0.000 0.000 0.298 61 F C 2.953 178.807 175.800 0.091 0.000 1.105 61 F CA 0.456 58.486 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 -0.617 108.318 108.800 0.226 0.000 2.440 62 G HA2 -0.250 3.710 3.960 0.000 0.000 0.218 62 G HA3 -0.250 3.710 3.960 0.000 0.000 0.218 62 G C 1.546 176.560 174.900 0.191 0.000 1.154 62 G CA 0.775 45.992 45.100 0.195 0.000 0.767 62 G HN 0.368 nan 8.290 nan 0.000 0.552 63 Q N 0.164 120.030 119.800 0.110 0.000 2.050 63 Q HA 0.011 4.351 4.340 0.000 0.000 0.202 63 Q C 3.044 179.095 176.000 0.086 0.000 0.980 63 Q CA 1.260 57.105 55.803 0.071 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 0.122 0.000 1.902 64 A HA -0.201 4.119 4.320 0.000 0.000 0.217 64 A C 1.863 179.577 177.584 0.216 0.000 1.181 64 A CA 1.209 53.333 52.037 0.146 0.000 0.623 64 A CB -0.770 18.347 19.000 0.195 0.000 0.818 64 A HN 0.443 nan 8.150 nan 0.000 0.443 65 F N -0.073 119.963 119.950 0.143 0.000 2.234 65 F HA -0.143 4.385 4.527 0.000 0.000 0.299 65 F C 2.196 178.062 175.800 0.109 0.000 1.087 65 F CA 1.481 59.590 58.000 0.182 0.000 1.340 65 F CB -0.144 38.940 39.000 0.141 0.000 1.031 65 F HN 0.076 nan 8.300 nan 0.000 0.500 66 M N 1.163 120.819 119.600 0.093 0.000 2.108 66 M HA -0.239 4.241 4.480 0.000 0.000 0.261 66 M C 2.214 178.427 176.300 -0.145 0.000 1.066 66 M CA 1.977 57.264 55.300 -0.022 0.000 1.107 66 M CB -1.417 31.201 32.600 0.029 0.000 1.356 66 M HN 0.293 nan 8.290 nan 0.000 0.406 67 K N -1.077 119.202 120.400 -0.201 0.000 2.097 67 K HA -0.186 4.134 4.320 0.000 0.000 0.206 67 K C 1.773 178.179 176.600 -0.323 0.000 1.049 67 K CA 1.428 57.555 56.287 -0.267 0.000 0.933 67 K CB -0.677 31.631 32.500 -0.319 0.000 0.717 67 K HN 0.378 nan 8.250 nan 0.000 0.442 68 H N 1.152 120.096 119.070 -0.210 0.000 2.326 68 H HA 0.046 4.602 4.556 0.000 0.000 0.301 68 H C 2.471 177.596 175.328 -0.338 0.000 1.081 68 H CA 1.509 57.395 56.048 -0.271 0.000 1.334 68 H CB -0.385 29.176 29.762 -0.334 0.000 1.385 68 H HN 0.444 nan 8.280 nan 0.000 0.504 69 A N 1.738 124.316 122.820 -0.403 0.000 1.892 69 A HA -0.234 4.086 4.320 0.000 0.000 0.218 69 A C 2.548 180.054 177.584 -0.129 0.000 1.188 69 A CA 1.789 53.645 52.037 -0.303 0.000 0.631 69 A CB -0.533 18.312 19.000 -0.257 0.000 0.822 69 A HN 0.318 nan 8.150 nan 0.000 0.447 70 R N -1.447 118.986 120.500 -0.112 0.000 2.081 70 R HA -0.092 4.248 4.340 0.000 0.000 0.235 70 R C 2.148 178.415 176.300 -0.056 0.000 1.131 70 R CA 1.404 57.462 56.100 -0.069 0.000 0.960 70 R CB -0.504 29.756 30.300 -0.066 0.000 0.856 70 R HN 0.490 nan 8.270 nan 0.000 0.436 71 L N 1.112 122.298 121.223 -0.062 0.000 2.027 71 L HA -0.114 4.226 4.340 0.000 0.000 0.206 71 L C 1.962 178.818 176.870 -0.024 0.000 1.074 71 L CA 1.582 56.402 54.840 -0.033 0.000 0.745 71 L CB -0.306 41.740 42.059 -0.021 0.000 0.898 71 L HN 0.116 nan 8.230 nan 0.000 0.433 72 I N -1.632 118.918 120.570 -0.033 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 -0.017 0.000 1.075 72 I CA 1.489 62.774 61.300 -0.024 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 0.805 120.705 119.914 -0.023 0.000 2.295 73 V HA -0.285 3.835 4.120 0.000 0.000 0.246 73 V C 2.710 178.793 176.094 -0.017 0.000 1.049 73 V CA 2.533 64.824 62.300 -0.016 0.000 1.024 73 V CB -1.223 30.590 31.823 -0.016 0.000 0.648 73 V HN 0.664 nan 8.190 nan 0.000 0.447 74 T N -2.486 112.055 114.554 -0.021 0.000 2.821 74 T HA -0.174 4.176 4.350 0.000 0.000 0.267 74 T C 1.768 176.465 174.700 -0.004 0.000 1.046 74 T CA 1.245 63.334 62.100 -0.018 0.000 1.139 74 T CB -0.299 68.557 68.868 -0.020 0.000 0.871 74 T HN 0.365 nan 8.240 nan 0.000 0.454 75 E N 1.548 121.747 120.200 -0.002 0.000 2.077 75 E HA -0.051 4.300 4.350 0.000 0.000 0.193 75 E C 2.662 179.265 176.600 0.005 0.000 0.989 75 E CA 1.223 57.626 56.400 0.004 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 0.707 116.408 115.700 0.001 0.000 2.368 76 S HA -0.168 4.302 4.470 0.000 0.000 0.225 76 S C 1.953 176.557 174.600 0.006 0.000 1.030 76 S CA 1.250 59.452 58.200 0.003 0.000 0.999 76 S CB -0.138 63.063 63.200 0.003 0.000 0.844 76 S HN 0.242 nan 8.310 nan 0.000 0.459 77 R N 1.233 121.735 120.500 0.004 0.000 2.066 77 R HA 0.038 4.378 4.340 0.000 0.000 0.232 77 R C 2.435 178.752 176.300 0.028 0.000 1.131 77 R CA 1.036 57.143 56.100 0.011 0.000 0.955 77 R CB -0.126 30.169 30.300 -0.008 0.000 0.851 77 R HN 0.266 nan 8.270 nan 0.000 0.432 78 R N 0.020 120.537 120.500 0.028 0.000 2.096 78 R HA -0.096 4.244 4.340 0.000 0.000 0.235 78 R C 2.333 178.648 176.300 0.025 0.000 1.127 78 R CA 1.328 57.451 56.100 0.039 0.000 0.968 78 R CB -0.331 29.993 30.300 0.040 0.000 0.861 78 R HN 0.289 nan 8.270 nan 0.000 0.440 79 A N 1.331 124.159 122.820 0.014 0.000 1.865 79 A HA -0.238 4.082 4.320 0.000 0.000 0.217 79 A C 2.081 179.665 177.584 -0.000 0.000 1.191 79 A CA 1.381 53.421 52.037 0.004 0.000 0.623 79 A CB -0.450 18.552 19.000 0.002 0.000 0.826 79 A HN 0.317 nan 8.150 nan 0.000 0.444 80 Q N -0.549 119.254 119.800 0.005 0.000 2.084 80 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 80 Q C 1.974 177.972 176.000 -0.003 0.000 0.978 80 Q CA 1.658 57.462 55.803 0.001 0.000 0.844 80 Q CB -0.320 28.424 28.738 0.010 0.000 0.898 80 Q HN 0.800 nan 8.270 nan 0.000 0.426 81 E N 0.986 121.195 120.200 0.016 0.000 2.072 81 E HA -0.206 4.145 4.350 0.000 0.000 0.191 81 E C 2.003 178.585 176.600 -0.031 0.000 0.985 81 E CA 0.912 57.322 56.400 0.017 0.000 0.801 81 E CB -0.017 29.728 29.700 0.075 0.000 0.750 81 E HN 0.388 nan 8.360 nan 0.000 0.452 82 E N 0.836 121.023 120.200 -0.023 0.000 2.058 82 E HA -0.221 4.129 4.350 0.000 0.000 0.194 82 E C 2.053 178.595 176.600 -0.096 0.000 0.997 82 E CA 1.098 57.466 56.400 -0.052 0.000 0.801 82 E CB 0.053 29.741 29.700 -0.020 0.000 0.746 82 E HN 0.106 nan 8.360 nan 0.000 0.450 83 I N 1.334 121.863 120.570 -0.068 0.000 2.208 83 I HA -0.186 3.985 4.170 0.000 0.000 0.245 83 I C 2.590 178.638 176.117 -0.115 0.000 1.097 83 I CA 1.613 62.868 61.300 -0.076 0.000 1.363 83 I CB -1.882 36.091 38.000 -0.046 0.000 1.051 83 I HN 0.312 nan 8.210 nan 0.000 0.413 84 G N 0.164 108.894 108.800 -0.116 0.000 2.446 84 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 84 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 84 G C 1.600 176.322 174.900 -0.296 0.000 1.168 84 G CA 0.528 45.538 45.100 -0.150 0.000 0.771 84 G HN 0.432 nan 8.290 nan 0.000 0.551 85 Q N -0.273 119.289 119.800 -0.397 0.000 2.124 85 Q HA 0.096 4.436 4.340 0.000 0.000 0.202 85 Q C 2.589 178.131 176.000 -0.763 0.000 0.977 85 Q CA 0.742 56.031 55.803 -0.857 0.000 0.850 85 Q CB -0.238 28.018 28.738 -0.804 0.000 0.901 85 Q HN 0.431 nan 8.270 nan 0.000 0.429 86 L N 0.176 121.175 121.223 -0.374 0.000 2.275 86 L HA -0.127 4.214 4.340 0.000 0.000 0.215 86 L C 1.879 178.649 176.870 -0.167 0.000 1.119 86 L CA 0.826 55.539 54.840 -0.211 0.000 0.790 86 L CB -0.153 41.839 42.059 -0.111 0.000 0.919 86 L HN 0.142 nan 8.230 nan 0.000 0.443 87 R N -0.034 120.348 120.500 -0.196 0.000 2.334 87 R HA 0.141 4.481 4.340 0.000 0.000 0.220 87 R C 1.141 177.358 176.300 -0.139 0.000 0.917 87 R CA 0.643 56.667 56.100 -0.128 0.000 1.073 87 R CB 0.400 30.643 30.300 -0.095 0.000 1.056 87 R HN 0.402 nan 8.270 nan 0.000 0.506 88 G N 2.153 110.787 108.800 -0.276 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 0.132 174.911 174.900 -0.202 0.000 0.989 88 G CA 0.176 45.150 45.100 -0.210 0.000 0.682 88 G HN 0.370 nan 8.290 nan 0.000 0.522 89 R N -0.063 120.261 120.500 -0.295 0.000 2.408 89 R HA 0.406 4.746 4.340 0.000 0.000 0.308 89 R C -0.354 175.825 176.300 -0.203 0.000 1.210 89 R CA -0.972 55.042 56.100 -0.144 0.000 1.115 89 R CB -0.192 30.053 30.300 -0.091 0.000 1.127 89 R HN 0.259 nan 8.270 nan 0.000 0.523 90 W N 4.121 125.451 121.300 0.050 0.000 1.664 90 W HA 0.199 4.859 4.660 0.000 0.000 0.428 90 W C -0.399 176.149 176.519 0.049 0.000 0.726 90 W CA -0.401 56.986 57.345 0.069 0.000 1.774 90 W CB 0.536 30.057 29.460 0.101 0.000 1.801 90 W HN 0.394 nan 8.180 nan 0.000 0.243 91 E N 1.372 121.659 120.200 0.145 0.000 2.235 91 E HA 0.614 4.964 4.350 0.000 0.000 0.252 91 E C 0.376 177.013 176.600 0.062 0.000 0.886 91 E CA -0.425 56.030 56.400 0.091 0.000 0.767 91 E CB 1.443 31.176 29.700 0.055 0.000 1.205 91 E HN 0.367 nan 8.360 nan 0.000 0.421 92 G N 1.888 110.695 108.800 0.011 0.000 2.634 92 G HA2 0.425 4.386 3.960 0.000 0.000 0.309 92 G HA3 0.425 4.386 3.960 0.000 0.000 0.309 92 G C -1.635 173.148 174.900 -0.196 0.000 1.299 92 G CA -0.623 44.487 45.100 0.017 0.000 0.798 92 G HN 0.426 nan 8.290 nan 0.000 0.490 93 H N -1.399 117.738 119.070 0.111 0.000 2.717 93 H HA 0.715 5.271 4.556 0.000 0.000 0.366 93 H C -0.700 174.685 175.328 0.095 0.000 1.132 93 H CA -0.407 55.700 56.048 0.099 0.000 1.180 93 H CB 2.197 31.998 29.762 0.066 0.000 1.678 93 H HN 0.425 nan 8.280 nan 0.000 0.537 94 I N 1.787 122.474 120.570 0.196 0.000 2.533 94 I HA 0.355 4.525 4.170 0.000 0.000 0.290 94 I C -0.645 175.540 176.117 0.112 0.000 1.056 94 I CA -0.436 60.946 61.300 0.136 0.000 1.057 94 I CB 2.307 40.364 38.000 0.095 0.000 1.240 94 I HN 0.515 nan 8.210 nan 0.000 0.423 95 T N 6.413 120.991 114.554 0.040 0.000 2.812 95 T HA 0.714 5.064 4.350 0.000 0.000 0.282 95 T C -0.788 173.831 174.700 -0.134 0.000 0.990 95 T CA -0.470 61.609 62.100 -0.035 0.000 0.960 95 T CB 0.951 69.796 68.868 -0.038 0.000 0.948 95 T HN 0.447 nan 8.240 nan 0.000 0.438 96 F N 0.646 120.352 119.950 -0.406 0.000 2.662 96 F HA 0.914 5.441 4.527 0.000 0.000 0.312 96 F C -1.182 174.436 175.800 -0.303 0.000 1.113 96 F CA -1.620 56.012 58.000 -0.613 0.000 0.951 96 F CB 0.856 38.988 39.000 -1.448 0.000 1.344 96 F HN 0.636 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 -1.145 176.490 177.584 0.084 0.000 1.119 97 A CA -0.346 51.619 52.037 -0.119 0.000 0.790 97 A CB 1.127 20.116 19.000 -0.018 0.000 1.273 97 A HN 1.863 nan 8.150 nan 0.000 0.452 98 A N 0.654 123.497 122.820 0.039 0.000 2.498 98 A HA 0.797 5.117 4.320 0.000 0.000 0.298 98 A C 0.146 177.782 177.584 0.085 0.000 1.075 98 A CA 0.107 52.229 52.037 0.142 0.000 0.714 98 A CB 1.085 20.201 19.000 0.193 0.000 1.299 98 A HN 2.057 nan 8.150 nan 0.000 0.407 99 S N 1.293 117.045 115.700 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 -0.875 57.345 58.200 0.033 0.000 0.991 99 S CB 0.792 64.013 63.200 0.036 0.000 0.987 99 S HN 0.342 nan 8.310 nan 0.000 0.552 100 P HA 0.009 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 1.910 64.906 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 -0.330 122.422 122.820 -0.113 0.000 1.908 101 A HA -0.187 4.133 4.320 0.000 0.000 0.218 101 A C 2.098 179.624 177.584 -0.096 0.000 1.181 101 A CA 1.562 53.559 52.037 -0.067 0.000 0.627 101 A CB -1.502 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 -0.024 120.507 120.570 -0.064 0.000 2.202 102 I HA -0.204 3.967 4.170 0.000 0.000 0.242 102 I C 2.937 179.047 176.117 -0.010 0.000 1.091 102 I CA 1.424 62.695 61.300 -0.047 0.000 1.368 102 I CB -1.754 36.266 38.000 0.032 0.000 1.058 102 I HN 0.349 nan 8.210 nan 0.000 0.410 103 A N 0.619 123.445 122.820 0.010 0.000 1.972 103 A HA -0.123 4.197 4.320 0.000 0.000 0.219 103 A C 2.331 179.915 177.584 -0.000 0.000 1.169 103 A CA 1.338 53.389 52.037 0.023 0.000 0.635 103 A CB -0.702 18.309 19.000 0.017 0.000 0.810 103 A HN 0.448 nan 8.150 nan 0.000 0.446 104 L N -2.391 118.818 121.223 -0.022 0.000 2.529 104 L HA 0.184 4.524 4.340 0.000 0.000 0.223 104 L C 2.274 179.120 176.870 -0.040 0.000 1.113 104 L CA 0.590 55.416 54.840 -0.024 0.000 0.861 104 L CB 0.002 42.049 42.059 -0.020 0.000 1.012 104 L HN 0.460 nan 8.230 nan 0.000 0.461 105 A N -0.805 121.978 122.820 -0.062 0.000 1.948 105 A HA 0.422 4.742 4.320 0.000 0.000 0.197 105 A C 2.123 179.656 177.584 -0.085 0.000 1.911 105 A CA 0.665 52.654 52.037 -0.080 0.000 1.011 105 A CB -0.665 18.267 19.000 -0.112 0.000 1.119 105 A HN 0.082 nan 8.150 nan 0.000 0.621 106 A N -0.464 122.299 122.820 -0.095 0.000 1.930 106 A HA 0.089 4.409 4.320 0.000 0.000 0.217 106 A C 2.048 179.620 177.584 -0.021 0.000 1.175 106 A CA 1.733 53.742 52.037 -0.045 0.000 0.627 106 A CB -0.597 18.374 19.000 -0.048 0.000 0.815 106 A HN 0.485 nan 8.150 nan 0.000 0.443 107 L N 0.123 121.350 121.223 0.006 0.000 2.017 107 L HA -0.025 4.315 4.340 0.000 0.000 0.208 107 L C -0.707 176.171 176.870 0.013 0.000 1.073 107 L CA 2.096 56.971 54.840 0.058 0.000 0.745 107 L CB -1.103 41.027 42.059 0.118 0.000 0.894 107 L HN 0.168 nan 8.230 nan 0.000 0.432 108 P HA -0.155 nan 4.420 nan 0.000 0.215 108 P C 2.056 179.286 177.300 -0.117 0.000 1.153 108 P CA 1.457 64.527 63.100 -0.050 0.000 0.853 108 P CB 0.036 31.703 31.700 -0.054 0.000 0.788 109 L N -1.313 119.772 121.223 -0.229 0.000 2.072 109 L HA -0.093 4.247 4.340 0.000 0.000 0.205 109 L C 2.486 179.065 176.870 -0.485 0.000 1.079 109 L CA 1.452 56.014 54.840 -0.463 0.000 0.752 109 L CB -1.137 40.445 42.059 -0.794 0.000 0.906 109 L HN -0.065 nan 8.230 nan 0.000 0.436 110 A N 0.090 122.755 122.820 -0.259 0.000 1.898 110 A HA -0.115 4.205 4.320 0.000 0.000 0.216 110 A C 2.247 179.874 177.584 0.071 0.000 1.181 110 A CA 1.206 53.320 52.037 0.128 0.000 0.620 110 A CB -0.606 18.559 19.000 0.275 0.000 0.819 110 A HN 0.326 nan 8.150 nan 0.000 0.442 111 L N -0.762 120.493 121.223 0.053 0.000 2.093 111 L HA -0.176 4.165 4.340 0.000 0.000 0.208 111 L C 3.102 180.007 176.870 0.058 0.000 1.085 111 L CA 0.963 55.869 54.840 0.111 0.000 0.755 111 L CB -0.531 41.599 42.059 0.118 0.000 0.904 111 L HN 0.440 nan 8.230 nan 0.000 0.435 112 A N -0.588 122.204 122.820 -0.046 0.000 1.908 112 A HA -0.210 4.110 4.320 0.000 0.000 0.218 112 A C 2.510 179.972 177.584 -0.204 0.000 1.181 112 A CA 2.229 54.207 52.037 -0.099 0.000 0.627 112 A CB -0.623 18.308 19.000 -0.115 0.000 0.818 112 A HN 0.377 nan 8.150 nan 0.000 0.445 113 S N -1.290 114.199 115.700 -0.350 0.000 2.355 113 S HA -0.099 4.372 4.470 0.000 0.000 0.222 113 S C 1.671 175.716 174.600 -0.925 0.000 1.031 113 S CA 1.335 59.047 58.200 -0.814 0.000 0.993 113 S CB -0.516 61.857 63.200 -1.379 0.000 0.859 113 S HN 0.619 nan 8.310 nan 0.000 0.453 114 F N 2.664 122.162 119.950 -0.754 0.000 2.126 114 F HA -0.147 4.380 4.527 0.000 0.000 0.299 114 F C 2.307 178.098 175.800 -0.015 0.000 1.096 114 F CA 1.168 59.037 58.000 -0.218 0.000 1.255 114 F CB -0.659 38.390 39.000 0.081 0.000 0.997 114 F HN 0.178 nan 8.300 nan 0.000 0.479 115 A N 0.527 123.330 122.820 -0.029 0.000 1.933 115 A HA -0.168 4.152 4.320 0.000 0.000 0.218 115 A C 2.325 179.793 177.584 -0.193 0.000 1.175 115 A CA 1.567 53.557 52.037 -0.077 0.000 0.628 115 A CB -0.699 18.320 19.000 0.031 0.000 0.814 115 A HN 0.464 nan 8.150 nan 0.000 0.444 116 R N -0.804 119.557 120.500 -0.232 0.000 2.081 116 R HA -0.147 4.193 4.340 0.000 0.000 0.235 116 R C 2.271 178.383 176.300 -0.315 0.000 1.131 116 R CA 1.609 57.566 56.100 -0.239 0.000 0.960 116 R CB -0.207 29.955 30.300 -0.229 0.000 0.856 116 R HN 0.793 nan 8.270 nan 0.000 0.436 117 E N -0.268 119.675 120.200 -0.429 0.000 2.122 117 E HA -0.068 4.282 4.350 0.000 0.000 0.190 117 E C -0.381 175.622 176.600 -0.994 0.000 0.977 117 E CA 0.642 56.641 56.400 -0.667 0.000 0.820 117 E CB 0.354 29.662 29.700 -0.653 0.000 0.770 117 E HN 0.143 nan 8.360 nan 0.000 0.462 118 F N 0.693 120.280 119.950 -0.605 0.000 2.531 118 F HA 0.318 4.845 4.527 0.000 0.000 0.333 118 F C -1.926 173.622 175.800 -0.420 0.000 1.292 118 F CA -1.961 55.664 58.000 -0.624 0.000 1.184 118 F CB 1.619 40.066 39.000 -0.922 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 0.380 177.686 177.300 0.010 0.000 1.147 119 P CA 1.381 64.440 63.100 -0.068 0.000 0.790 119 P CB 0.449 32.104 31.700 -0.075 0.000 0.780 120 D N -0.754 119.677 120.400 0.051 0.000 2.363 120 D HA 0.088 4.728 4.640 0.000 0.000 0.214 120 D C 0.353 176.717 176.300 0.107 0.000 1.093 120 D CA 0.011 54.062 54.000 0.085 0.000 0.837 120 D CB 0.481 41.347 40.800 0.109 0.000 0.948 120 D HN 0.039 nan 8.370 nan 0.000 0.507 121 V N 1.208 121.212 119.914 0.151 0.000 2.546 121 V HA 0.172 4.292 4.120 0.000 0.000 0.284 121 V C 0.691 176.881 176.094 0.159 0.000 1.050 121 V CA -0.152 62.259 62.300 0.184 0.000 0.981 121 V CB 1.700 33.734 31.823 0.351 0.000 0.990 121 V HN -0.052 nan 8.190 nan 0.000 0.474 122 T N 4.958 119.526 114.554 0.024 0.000 2.743 122 T HA 0.469 4.819 4.350 0.000 0.000 0.293 122 T C -0.216 174.553 174.700 0.115 0.000 0.945 122 T CA -0.183 61.937 62.100 0.032 0.000 1.030 122 T CB 1.022 69.833 68.868 -0.095 0.000 0.912 122 T HN 0.376 nan 8.240 nan 0.000 0.483 123 V N 4.685 124.690 119.914 0.151 0.000 2.513 123 V HA 0.514 4.635 4.120 0.000 0.000 0.299 123 V C 0.047 176.200 176.094 0.098 0.000 1.035 123 V CA -1.000 61.393 62.300 0.156 0.000 0.889 123 V CB 1.804 33.745 31.823 0.196 0.000 0.988 123 V HN 0.753 nan 8.190 nan 0.000 0.440 124 N N 3.172 121.901 118.700 0.049 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 -0.272 0.000 1.002 124 N CA -0.139 52.875 53.050 -0.059 0.000 0.910 124 N CB 2.030 40.499 38.487 -0.031 0.000 1.244 124 N HN 0.492 nan 8.380 nan 0.000 0.492 125 V N 4.862 124.561 119.914 -0.358 0.000 2.513 125 V HA 0.710 4.831 4.120 0.000 0.000 0.299 125 V C -0.490 175.351 176.094 -0.421 0.000 1.035 125 V CA -0.583 61.293 62.300 -0.707 0.000 0.889 125 V CB 1.226 32.597 31.823 -0.753 0.000 0.988 125 V HN 0.798 nan 8.190 nan 0.000 0.440 126 R N 3.481 123.718 120.500 -0.438 0.000 2.855 126 R HA 0.630 4.970 4.340 0.000 0.000 0.266 126 R C -1.363 174.835 176.300 -0.170 0.000 1.034 126 R CA -0.998 54.965 56.100 -0.228 0.000 0.944 126 R CB 1.409 31.609 30.300 -0.167 0.000 1.219 126 R HN 0.498 nan 8.270 nan 0.000 0.474 127 D N -0.305 120.049 120.400 -0.077 0.000 2.362 127 D HA 0.450 5.090 4.640 0.000 0.000 0.242 127 D C -0.007 176.293 176.300 -0.000 0.000 1.132 127 D CA 0.609 54.601 54.000 -0.014 0.000 0.907 127 D CB 1.576 42.395 40.800 0.031 0.000 1.195 127 D HN 0.731 nan 8.370 nan 0.000 0.429 128 G N -0.097 108.729 108.800 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 -1.536 173.429 174.900 0.108 0.000 1.489 128 G CA -0.715 44.422 45.100 0.062 0.000 0.836 128 G HN 0.382 nan 8.290 nan 0.000 0.527 129 M N 0.933 120.604 119.600 0.118 0.000 2.501 129 M HA 0.552 5.032 4.480 0.000 0.000 0.293 129 M C -1.545 174.858 176.300 0.171 0.000 1.192 129 M CA -1.033 54.361 55.300 0.157 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 5.239 125.591 120.300 0.086 0.000 2.411 130 Y HA 0.330 4.880 4.550 0.000 0.000 0.333 130 Y C -1.836 174.108 175.900 0.073 0.000 1.186 130 Y CA -0.857 57.288 58.100 0.074 0.000 1.381 130 Y CB 0.880 39.386 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 0.641 177.741 177.300 -0.333 0.000 1.268 131 P CA 0.877 63.400 63.100 -0.962 0.000 0.833 131 P CB 0.165 31.296 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 2.151 179.719 177.584 -0.026 0.000 1.171 132 A CA 2.252 54.251 52.037 -0.063 0.000 0.640 132 A CB -1.656 17.332 19.000 -0.019 0.000 0.811 132 A HN 0.205 nan 8.150 nan 0.000 0.451 133 V N -2.913 117.012 119.914 0.019 0.000 3.141 133 V HA -0.089 4.031 4.120 0.000 0.000 0.265 133 V C 1.994 178.126 176.094 0.063 0.000 1.126 133 V CA 1.965 64.300 62.300 0.058 0.000 1.141 133 V CB -0.938 30.955 31.823 0.117 0.000 0.743 133 V HN 0.345 nan 8.190 nan 0.000 0.492 134 S N 1.648 117.374 115.700 0.043 0.000 2.370 134 S HA -0.060 4.410 4.470 0.000 0.000 0.226 134 S C 0.023 174.647 174.600 0.039 0.000 1.033 134 S CA 2.208 60.452 58.200 0.072 0.000 1.011 134 S CB -1.316 61.910 63.200 0.044 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 1.163 178.458 177.300 -0.008 0.000 1.149 135 P CA 1.031 64.126 63.100 -0.010 0.000 0.817 135 P CB -0.008 31.676 31.700 -0.025 0.000 0.785 136 Q N -0.915 118.886 119.800 0.001 0.000 2.187 136 Q HA 0.012 4.352 4.340 0.000 0.000 0.199 136 Q C 2.100 178.111 176.000 0.018 0.000 0.957 136 Q CA 1.003 56.807 55.803 0.000 0.000 0.857 136 Q CB -1.024 27.712 28.738 -0.003 0.000 0.929 136 Q HN 0.239 nan 8.270 nan 0.000 0.453 137 L N -0.191 121.058 121.223 0.044 0.000 2.046 137 L HA -0.160 4.180 4.340 0.000 0.000 0.208 137 L C 2.247 179.145 176.870 0.047 0.000 1.077 137 L CA 1.300 56.178 54.840 0.064 0.000 0.747 137 L CB -0.302 41.817 42.059 0.101 0.000 0.896 137 L HN 0.171 nan 8.230 nan 0.000 0.432 138 R N 0.290 120.810 120.500 0.033 0.000 2.115 138 R HA -0.126 4.214 4.340 0.000 0.000 0.226 138 R C 1.495 177.793 176.300 -0.003 0.000 1.100 138 R CA 1.423 57.535 56.100 0.020 0.000 0.980 138 R CB -0.286 30.021 30.300 0.011 0.000 0.875 138 R HN 0.501 nan 8.270 nan 0.000 0.445 139 D N -1.095 119.293 120.400 -0.020 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 54.634 54.000 -0.043 0.000 0.856 139 D CB 0.331 41.087 40.800 -0.073 0.000 0.922 139 D HN 0.233 nan 8.370 nan 0.000 0.518 140 G N 0.278 109.076 108.800 -0.003 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 1.193 176.093 174.900 -0.000 0.000 0.975 140 G CA 1.105 46.208 45.100 0.006 0.000 0.642 140 G HN 0.609 nan 8.290 nan 0.000 0.536 141 T N -2.509 112.038 114.554 -0.011 0.000 3.023 141 T HA 0.424 4.774 4.350 0.000 0.000 0.266 141 T C 0.869 175.558 174.700 -0.019 0.000 1.093 141 T CA 1.267 63.356 62.100 -0.019 0.000 1.129 141 T CB 0.432 69.283 68.868 -0.028 0.000 0.899 141 T HN 0.800 nan 8.240 nan 0.000 0.491 142 L N 1.668 122.886 121.223 -0.009 0.000 2.325 142 L HA 0.468 4.808 4.340 0.000 0.000 0.281 142 L C 0.052 176.928 176.870 0.011 0.000 1.004 142 L CA -0.423 54.406 54.840 -0.019 0.000 0.823 142 L CB 1.845 43.898 42.059 -0.010 0.000 1.236 142 L HN -0.125 nan 8.230 nan 0.000 0.415 143 D N 4.202 124.594 120.400 -0.012 0.000 2.194 143 D HA 0.046 4.686 4.640 0.000 0.000 0.204 143 D C -0.166 176.277 176.300 0.239 0.000 0.964 143 D CA 1.456 55.508 54.000 0.087 0.000 0.846 143 D CB 0.184 41.050 40.800 0.110 0.000 0.962 143 D HN 0.385 nan 8.370 nan 0.000 0.490 144 F N -1.540 118.478 119.950 0.114 0.000 2.741 144 F HA 0.665 5.192 4.527 0.000 0.000 0.311 144 F C -1.841 174.058 175.800 0.164 0.000 1.149 144 F CA -1.773 56.291 58.000 0.106 0.000 0.930 144 F CB 1.151 40.184 39.000 0.055 0.000 1.312 144 F HN -0.194 nan 8.300 nan 0.000 0.450 145 A N 2.019 125.074 122.820 0.391 0.000 2.371 145 A HA 0.819 5.139 4.320 0.000 0.000 0.311 145 A C -1.636 176.165 177.584 0.362 0.000 1.068 145 A CA -0.877 51.349 52.037 0.314 0.000 0.744 145 A CB 1.394 20.522 19.000 0.213 0.000 1.239 145 A HN 0.847 nan 8.150 nan 0.000 0.435 146 L N 2.426 123.861 121.223 0.354 0.000 2.272 146 L HA 0.617 4.957 4.340 0.000 0.000 0.284 146 L C 0.230 177.224 176.870 0.206 0.000 1.045 146 L CA -0.136 54.871 54.840 0.280 0.000 0.842 146 L CB 1.051 43.287 42.059 0.296 0.000 1.224 146 L HN 0.768 nan 8.230 nan 0.000 0.430 147 T N 1.513 116.182 114.554 0.192 0.000 2.889 147 T HA 0.695 5.046 4.350 0.000 0.000 0.315 147 T C -0.574 174.227 174.700 0.170 0.000 1.291 147 T CA -0.297 61.908 62.100 0.175 0.000 1.028 147 T CB 1.642 70.636 68.868 0.210 0.000 1.235 147 T HN 0.539 nan 8.240 nan 0.000 0.491 148 A N 1.924 124.825 122.820 0.134 0.000 2.425 148 A HA 0.806 5.126 4.320 0.000 0.000 0.242 148 A C 0.514 178.180 177.584 0.135 0.000 1.077 148 A CA 0.261 52.362 52.037 0.107 0.000 0.781 148 A CB -0.389 18.637 19.000 0.044 0.000 1.020 148 A HN 1.802 nan 8.150 nan 0.000 0.494 149 A N 1.080 123.958 122.820 0.097 0.000 2.597 149 A HA 0.614 4.934 4.320 0.000 0.000 0.292 149 A C -1.055 176.465 177.584 -0.107 0.000 1.057 149 A CA -0.743 51.288 52.037 -0.010 0.000 0.674 149 A CB 0.655 19.492 19.000 -0.273 0.000 1.278 149 A HN 0.899 nan 8.150 nan 0.000 0.416 150 H N 1.845 120.954 119.070 0.065 0.000 2.594 150 H HA 0.223 4.779 4.556 0.000 0.000 0.304 150 H C 1.023 176.343 175.328 -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 0.066 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 0.974 177.621 176.600 0.079 0.000 1.053 151 K CA 2.053 58.348 56.287 0.013 0.000 0.966 151 K CB 0.002 32.640 32.500 0.230 0.000 0.735 151 K HN 0.582 nan 8.250 nan 0.000 0.455 152 H N 0.008 119.076 119.070 -0.004 0.000 2.491 152 H HA -0.033 4.523 4.556 0.000 0.000 0.290 152 H C 1.574 176.903 175.328 0.000 0.000 1.050 152 H CA 1.384 57.428 56.048 -0.006 0.000 1.309 152 H CB -0.091 29.678 29.762 0.011 0.000 1.392 152 H HN 0.381 nan 8.280 nan 0.000 0.554 153 D N 0.117 120.605 120.400 0.147 0.000 2.162 153 D HA -0.009 4.631 4.640 0.000 0.000 0.203 153 D C 0.563 176.925 176.300 0.104 0.000 0.967 153 D CA 0.260 54.340 54.000 0.133 0.000 0.840 153 D CB -0.116 40.805 40.800 0.201 0.000 0.972 153 D HN 0.266 nan 8.370 nan 0.000 0.482 154 I N 2.472 123.044 120.570 0.005 0.000 2.826 154 I HA -0.111 4.059 4.170 0.000 0.000 0.295 154 I C 0.593 176.719 176.117 0.016 0.000 1.213 154 I CA 0.024 61.287 61.300 -0.062 0.000 1.436 154 I CB 0.245 38.056 38.000 -0.314 0.000 1.348 154 I HN -0.163 nan 8.210 nan 0.000 0.570 155 D N 4.043 124.511 120.400 0.114 0.000 2.506 155 D HA -0.087 4.553 4.640 0.000 0.000 0.234 155 D C 1.294 177.606 176.300 0.019 0.000 1.143 155 D CA 0.370 54.417 54.000 0.078 0.000 0.871 155 D CB 0.952 41.821 40.800 0.115 0.000 1.190 155 D HN 0.614 nan 8.370 nan 0.000 0.459 156 T N 0.443 115.000 114.554 0.006 0.000 2.881 156 T HA -0.167 4.184 4.350 0.000 0.000 0.270 156 T C 1.075 175.766 174.700 -0.014 0.000 1.068 156 T CA 1.337 63.424 62.100 -0.022 0.000 1.131 156 T CB 0.004 68.861 68.868 -0.019 0.000 0.871 156 T HN 0.459 nan 8.240 nan 0.000 0.479 157 D N 0.247 120.660 120.400 0.022 0.000 2.349 157 D HA 0.053 4.693 4.640 0.000 0.000 0.224 157 D C 0.618 176.962 176.300 0.074 0.000 1.029 157 D CA 0.012 54.043 54.000 0.052 0.000 0.879 157 D CB -0.307 40.528 40.800 0.059 0.000 0.906 157 D HN 0.417 nan 8.370 nan 0.000 0.528 158 L N 0.386 121.633 121.223 0.041 0.000 2.344 158 L HA 0.422 4.762 4.340 0.000 0.000 0.272 158 L C 0.271 177.134 176.870 -0.011 0.000 1.035 158 L CA -0.885 53.979 54.840 0.040 0.000 0.807 158 L CB 1.826 43.902 42.059 0.027 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 0.025 0.000 2.195 159 E HA 0.680 5.030 4.350 0.000 0.000 0.271 159 E C -1.385 175.192 176.600 -0.039 0.000 0.923 159 E CA -0.764 55.634 56.400 -0.004 0.000 0.790 159 E CB 1.976 31.765 29.700 0.149 0.000 1.155 159 E HN 0.660 nan 8.360 nan 0.000 0.402 160 A N 4.790 127.555 122.820 -0.091 0.000 2.410 160 A HA 0.316 4.636 4.320 0.000 0.000 0.289 160 A C -1.092 176.532 177.584 0.068 0.000 1.200 160 A CA -0.807 51.161 52.037 -0.116 0.000 0.751 160 A CB 1.269 19.964 19.000 -0.509 0.000 1.161 160 A HN 0.540 nan 8.150 nan 0.000 0.459 161 Q N 2.420 122.318 119.800 0.163 0.000 2.290 161 Q HA 0.369 4.710 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 -2.037 53.865 55.803 0.166 0.000 0.912 161 Q CB 1.760 30.530 28.738 0.054 0.000 1.244 161 Q HN 0.422 nan 8.270 nan 0.000 0.441 162 P HA -0.027 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 0.005 63.012 63.100 -0.155 0.000 0.768 162 P CB 0.643 32.257 31.700 -0.142 0.000 0.842 163 L N 4.033 125.166 121.223 -0.150 0.000 2.586 163 L HA 0.463 4.803 4.340 0.000 0.000 0.204 163 L C -0.561 176.347 176.870 0.062 0.000 1.053 163 L CA 0.896 55.719 54.840 -0.027 0.000 0.856 163 L CB 0.040 42.104 42.059 0.008 0.000 1.192 163 L HN 0.282 nan 8.230 nan 0.000 0.484 164 Y N -0.653 119.552 120.300 -0.158 0.000 2.480 164 Y HA 0.548 5.098 4.550 0.000 0.000 0.329 164 Y C -1.546 174.270 175.900 -0.141 0.000 1.127 164 Y CA -1.489 56.542 58.100 -0.115 0.000 1.037 164 Y CB 1.479 39.896 38.460 -0.071 0.000 1.320 164 Y HN -0.282 nan 8.280 nan 0.000 0.446 165 V N 6.212 125.690 119.914 -0.727 0.000 2.348 165 V HA 0.388 4.508 4.120 0.000 0.000 0.270 165 V C 0.120 175.720 176.094 -0.823 0.000 1.037 165 V CA -0.175 61.775 62.300 -0.585 0.000 0.872 165 V CB 0.621 32.223 31.823 -0.368 0.000 1.002 165 V HN 0.820 nan 8.190 nan 0.000 0.464 166 S N 3.238 118.670 115.700 -0.447 0.000 2.655 166 S HA 0.518 4.988 4.470 0.000 0.000 0.265 166 S C -0.560 173.966 174.600 -0.124 0.000 1.240 166 S CA -0.658 57.413 58.200 -0.215 0.000 0.986 166 S CB 1.739 64.961 63.200 0.036 0.000 0.985 166 S HN 0.671 nan 8.310 nan 0.000 0.562 167 D N -0.296 120.093 120.400 -0.019 0.000 2.649 167 D HA 0.496 5.136 4.640 0.000 0.000 0.249 167 D C -1.368 174.948 176.300 0.028 0.000 1.112 167 D CA -0.538 53.461 54.000 -0.002 0.000 0.850 167 D CB 1.948 42.761 40.800 0.023 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 0.273 176.383 176.094 0.027 0.000 1.034 168 V CA -0.615 61.708 62.300 0.037 0.000 0.893 168 V CB 1.469 33.316 31.823 0.039 0.000 0.982 168 V HN 0.469 nan 8.190 nan 0.000 0.452 169 V N 3.361 123.289 119.914 0.023 0.000 3.001 169 V HA 0.679 4.800 4.120 0.000 0.000 0.314 169 V C -0.523 175.571 176.094 -0.001 0.000 1.099 169 V CA -0.948 61.335 62.300 -0.028 0.000 0.989 169 V CB 2.188 33.929 31.823 -0.136 0.000 1.040 169 V HN 0.627 nan 8.190 nan 0.000 0.434 170 I N 2.159 122.722 120.570 -0.011 0.000 2.359 170 I HA 0.614 4.785 4.170 0.000 0.000 0.294 170 I C -0.723 175.351 176.117 -0.071 0.000 0.987 170 I CA -0.720 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 4.926 124.809 119.914 -0.052 0.000 2.656 171 V HA 0.818 4.938 4.120 0.000 0.000 0.307 171 V C 0.256 176.275 176.094 -0.125 0.000 1.051 171 V CA -0.421 61.816 62.300 -0.105 0.000 0.893 171 V CB 1.785 33.606 31.823 -0.003 0.000 0.999 171 V HN 0.925 nan 8.190 nan 0.000 0.426 172 G N 2.488 111.201 108.800 -0.144 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 -0.788 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 -0.611 119.224 119.800 0.059 0.000 2.474 173 Q HA 0.230 4.570 4.340 0.000 0.000 0.256 173 Q C 1.497 177.544 176.000 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 0.663 nan 8.270 nan 0.000 0.484 174 R N 1.074 121.609 120.500 0.059 0.000 2.139 174 R HA -0.228 4.112 4.340 0.000 0.000 0.243 174 R C 0.876 177.211 176.300 0.059 0.000 1.145 174 R CA 2.120 58.257 56.100 0.062 0.000 0.976 174 R CB 0.148 30.477 30.300 0.049 0.000 0.866 174 R HN 0.844 nan 8.270 nan 0.000 0.449 175 Q N -0.315 119.515 119.800 0.051 0.000 2.186 175 Q HA 0.064 4.404 4.340 0.000 0.000 0.241 175 Q C -0.809 175.210 176.000 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 1.122 120.176 119.070 -0.025 0.000 2.972 176 H HA -0.023 4.534 4.556 0.000 0.000 0.343 176 H C -1.702 173.604 175.328 -0.036 0.000 1.054 176 H CA -0.794 55.229 56.048 -0.041 0.000 1.412 176 H CB 1.179 30.907 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 1.043 178.386 177.300 0.071 0.000 1.151 177 P CA 1.400 64.442 63.100 -0.098 0.000 0.849 177 P CB 0.262 31.845 31.700 -0.194 0.000 0.787 178 M N -2.171 117.610 119.600 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 54.819 55.300 0.188 0.000 0.976 178 M CB -1.140 31.552 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 1.664 179.260 177.584 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 -0.094 118.622 118.700 0.025 0.000 2.268 180 N HA 0.284 5.024 4.740 0.000 0.000 0.204 180 N C 0.293 175.807 175.510 0.006 0.000 1.124 180 N CA 0.653 53.711 53.050 0.013 0.000 0.838 180 N CB 0.030 38.526 38.487 0.015 0.000 0.994 180 N HN 0.458 nan 8.380 nan 0.000 0.489 181 A N 0.605 123.428 122.820 0.005 0.000 2.445 181 A HA 0.312 4.632 4.320 0.000 0.000 0.242 181 A C 1.266 178.841 177.584 -0.014 0.000 1.075 181 A CA 0.189 52.225 52.037 -0.001 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 -1.307 113.236 114.554 -0.019 0.000 3.043 182 T HA 0.315 4.666 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 61.786 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 0.632 121.098 120.500 -0.057 0.000 2.621 183 R HA 0.511 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 -0.967 55.072 56.100 -0.101 0.000 0.887 183 R CB 1.833 32.085 30.300 -0.079 0.000 1.180 183 R HN 0.044 nan 8.270 nan 0.000 0.450 184 L N 2.905 123.984 121.223 -0.241 0.000 2.079 184 L HA -0.169 4.172 4.340 0.000 0.000 0.210 184 L C 2.006 178.718 176.870 -0.264 0.000 1.081 184 L CA 2.370 57.047 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 -1.001 121.675 122.820 -0.239 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 -0.078 0.000 1.171 185 A CA 1.911 53.843 52.037 -0.175 0.000 0.640 185 A CB -0.612 18.324 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 -0.044 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 0.551 56.955 56.400 0.006 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 0.389 121.670 121.223 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 0.413 0.000 1.123 187 L CA 0.020 55.006 54.840 0.243 0.000 0.890 187 L CB -0.060 42.235 42.059 0.393 0.000 1.103 187 L HN 0.052 nan 8.230 nan 0.000 0.468 188 Q N 0.576 120.530 119.800 0.257 0.000 2.197 188 Q HA -0.191 4.149 4.340 0.000 0.000 0.207 188 Q C 1.297 177.538 176.000 0.402 0.000 0.984 188 Q CA 1.331 57.351 55.803 0.361 0.000 0.869 188 Q CB 0.163 28.990 28.738 0.148 0.000 0.906 188 Q HN 0.467 nan 8.270 nan 0.000 0.426 189 E N -0.748 119.604 120.200 0.254 0.000 2.474 189 E HA 0.048 4.398 4.350 0.000 0.000 0.195 189 E C 0.403 177.094 176.600 0.151 0.000 1.039 189 E CA -0.012 56.497 56.400 0.181 0.000 0.881 189 E CB 0.178 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 1.586 120.987 119.300 0.169 0.000 2.656 190 C HA 0.271 4.731 4.460 0.000 0.000 0.391 190 C C 1.065 176.022 174.990 -0.056 0.000 1.300 190 C CA -0.412 58.603 59.018 -0.004 0.000 2.302 190 C CB 0.006 27.643 27.740 -0.172 0.000 2.655 190 C HN 0.192 nan 8.230 nan 0.000 0.656 191 R N 0.093 120.491 120.500 -0.170 0.000 2.428 191 R HA 0.405 4.746 4.340 0.000 0.000 0.294 191 R C -1.495 174.614 176.300 -0.318 0.000 1.000 191 R CA -0.103 55.925 56.100 -0.120 0.000 0.960 191 R CB 0.988 31.247 30.300 -0.067 0.000 1.076 191 R HN 0.683 nan 8.270 nan 0.000 0.475 192 W N 0.769 122.046 121.300 -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 -0.675 56.682 57.345 0.020 0.000 1.225 192 W CB 1.761 31.317 29.460 0.161 0.000 1.396 192 W HN 0.553 nan 8.180 nan 0.000 0.499 193 A N 3.729 126.695 122.820 0.244 0.000 2.343 193 A HA 0.481 4.801 4.320 0.000 0.000 0.305 193 A C -1.014 176.789 177.584 0.365 0.000 1.308 193 A CA -0.459 51.686 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 2.741 122.727 119.950 0.061 0.000 2.502 194 F HA 0.234 4.761 4.527 0.000 0.000 0.371 194 F C 1.314 177.093 175.800 -0.034 0.000 1.083 194 F CA -0.436 57.572 58.000 0.014 0.000 1.174 194 F CB 0.498 39.486 39.000 -0.019 0.000 1.096 194 F HN 0.614 nan 8.300 nan 0.000 0.545 195 S N 1.505 117.273 115.700 0.114 0.000 2.687 195 S HA 0.589 5.060 4.470 0.000 0.000 0.283 195 S C -0.030 174.536 174.600 -0.058 0.000 1.170 195 S CA -1.010 57.154 58.200 -0.060 0.000 1.008 195 S CB 1.295 64.490 63.200 -0.007 0.000 1.026 195 S HN 0.394 nan 8.310 nan 0.000 0.541 196 S N 0.746 116.335 115.700 -0.185 0.000 2.572 196 S HA 0.641 5.112 4.470 0.000 0.000 0.279 196 S C 0.075 174.790 174.600 0.193 0.000 1.341 196 S CA -0.162 58.045 58.200 0.012 0.000 1.043 196 S CB 0.451 63.655 63.200 0.007 0.000 0.887 196 S HN 1.218 nan 8.310 nan 0.000 0.516 197 A N 3.182 126.085 122.820 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 0.504 19.566 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 1.017 178.412 177.300 0.157 0.000 1.150 198 P CA 1.365 64.591 63.100 0.209 0.000 0.843 198 P CB 0.136 32.025 31.700 0.314 0.000 0.787 199 R N -1.113 119.477 120.500 0.151 0.000 2.320 199 R HA 0.358 4.699 4.340 0.000 0.000 0.211 199 R C 0.721 177.034 176.300 0.021 0.000 0.931 199 R CA 0.365 56.508 56.100 0.070 0.000 1.071 199 R CB -0.218 30.100 30.300 0.031 0.000 1.025 199 R HN 0.216 nan 8.270 nan 0.000 0.495 200 G N 1.076 109.892 108.800 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 -2.965 171.929 174.900 -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 2.727 111.345 108.800 -0.303 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 0.477 44.998 45.100 -0.964 0.000 0.642 202 G HN 0.683 nan 8.290 nan 0.000 0.536 203 A N -0.039 122.582 122.820 -0.332 0.000 1.940 203 A HA 0.153 4.473 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 1.919 53.827 52.037 -0.215 0.000 0.631 203 A CB -0.311 18.642 19.000 -0.079 0.000 0.814 203 A HN 0.812 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 3.969 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 -0.095 0.000 1.353 204 I CB -0.248 37.736 38.000 -0.027 0.000 1.054 204 I HN 0.336 nan 8.210 nan 0.000 0.407 205 I N 0.963 121.335 120.570 -0.328 0.000 2.315 205 I HA -0.225 3.945 4.170 0.000 0.000 0.248 205 I C 2.596 178.435 176.117 -0.464 0.000 1.117 205 I CA 1.557 62.564 61.300 -0.489 0.000 1.404 205 I CB -0.430 37.019 38.000 -0.919 0.000 1.071 205 I HN 0.052 nan 8.210 nan 0.000 0.419 206 R N 0.182 120.386 120.500 -0.493 0.000 2.081 206 R HA -0.146 4.194 4.340 0.000 0.000 0.235 206 R C 1.985 178.215 176.300 -0.115 0.000 1.131 206 R CA 1.628 57.533 56.100 -0.323 0.000 0.960 206 R CB -0.548 29.561 30.300 -0.319 0.000 0.856 206 R HN 0.429 nan 8.270 nan 0.000 0.436 207 N N 0.374 119.012 118.700 -0.104 0.000 2.270 207 N HA -0.064 4.677 4.740 0.000 0.000 0.181 207 N C 1.570 177.101 175.510 0.035 0.000 1.016 207 N CA 1.187 54.217 53.050 -0.034 0.000 0.870 207 N CB -0.071 38.388 38.487 -0.047 0.000 0.979 207 N HN 0.214 nan 8.380 nan 0.000 0.431 208 A N 0.651 123.512 122.820 0.069 0.000 1.873 208 A HA -0.051 4.269 4.320 0.000 0.000 0.215 208 A C 1.942 179.713 177.584 0.313 0.000 1.186 208 A CA 0.794 52.951 52.037 0.200 0.000 0.616 208 A CB -0.802 18.300 19.000 0.171 0.000 0.823 208 A HN 0.089 nan 8.150 nan 0.000 0.442 209 F N 0.483 120.419 119.950 -0.024 0.000 2.095 209 F HA -0.180 4.347 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 0.771 58.772 58.000 0.002 0.000 1.232 209 F CB -0.887 38.065 39.000 -0.079 0.000 0.987 209 F HN 0.271 nan 8.300 nan 0.000 0.475 210 A N 0.060 122.990 122.820 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 1.969 54.056 52.037 0.083 0.000 0.623 210 A CB -0.776 18.244 19.000 0.033 0.000 0.826 210 A HN 0.343 nan 8.150 nan 0.000 0.444 211 R N -2.170 118.337 120.500 0.011 0.000 2.120 211 R HA -0.110 4.231 4.340 0.000 0.000 0.234 211 R C 1.232 177.405 176.300 -0.211 0.000 1.123 211 R CA 1.428 57.461 56.100 -0.112 0.000 0.975 211 R CB -0.332 29.867 30.300 -0.169 0.000 0.866 211 R HN 0.679 nan 8.270 nan 0.000 0.446 212 Y N -0.267 120.006 120.300 -0.045 0.000 2.462 212 Y HA 0.151 4.702 4.550 0.000 0.000 0.293 212 Y C 1.433 177.286 175.900 -0.079 0.000 1.195 212 Y CA 0.560 58.616 58.100 -0.074 0.000 1.276 212 Y CB 0.514 38.902 38.460 -0.119 0.000 1.082 212 Y HN 0.260 nan 8.280 nan 0.000 0.514 213 G N 0.349 109.169 108.800 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 -0.071 174.839 174.900 0.018 0.000 0.991 213 G CA 0.038 45.148 45.100 0.016 0.000 0.689 213 G HN 0.275 nan 8.290 nan 0.000 0.522 214 L N 0.242 121.474 121.223 0.015 0.000 2.375 214 L HA 0.559 4.899 4.340 0.000 0.000 0.268 214 L C -1.278 175.657 176.870 0.108 0.000 1.058 214 L CA -2.408 52.430 54.840 -0.004 0.000 0.803 214 L CB 0.818 42.733 42.059 -0.241 0.000 1.212 214 L HN -0.070 nan 8.230 nan 0.000 0.451 215 P HA 0.070 nan 4.420 nan 0.000 0.275 215 P C -0.728 176.734 177.300 0.271 0.000 1.270 215 P CA -0.585 62.619 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 0.980 121.282 120.200 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 -0.582 29.162 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 -0.657 176.652 177.300 0.016 0.000 1.223 217 P CA -0.067 62.766 63.100 -0.445 0.000 0.784 217 P CB 0.635 31.530 31.700 -1.342 0.000 0.923 218 K N 1.738 122.251 120.400 0.189 0.000 2.349 218 K HA 0.208 4.529 4.320 0.000 0.000 0.288 218 K C 0.053 176.703 176.600 0.083 0.000 1.058 218 K CA -0.725 55.651 56.287 0.148 0.000 0.953 218 K CB 0.163 32.759 32.500 0.160 0.000 0.997 218 K HN 0.322 nan 8.250 nan 0.000 0.477 219 L N 3.693 124.825 121.223 -0.153 0.000 2.361 219 L HA 0.151 4.491 4.340 0.000 0.000 0.278 219 L C 0.939 177.648 176.870 -0.269 0.000 1.113 219 L CA 0.735 55.273 54.840 -0.504 0.000 0.849 219 L CB 0.714 42.392 42.059 -0.636 0.000 1.155 219 L HN 0.784 nan 8.230 nan 0.000 0.452 220 G N 5.545 114.210 108.800 -0.226 0.000 2.497 220 G HA2 0.309 4.269 3.960 0.000 0.000 0.210 220 G HA3 0.309 4.269 3.960 0.000 0.000 0.210 220 G C -0.104 174.708 174.900 -0.147 0.000 1.177 220 G CA 0.860 45.881 45.100 -0.131 0.000 0.822 220 G HN 0.665 nan 8.290 nan 0.000 0.550 221 L N -3.073 118.047 121.223 -0.171 0.000 2.838 221 L HA 0.758 5.098 4.340 0.000 0.000 0.266 221 L C -1.239 175.553 176.870 -0.130 0.000 1.040 221 L CA -1.385 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 0.440 120.310 119.914 -0.074 0.000 2.370 222 V HA 0.532 4.652 4.120 0.000 0.000 0.283 222 V C -0.546 175.538 176.094 -0.016 0.000 1.023 222 V CA -0.283 62.017 62.300 -0.001 0.000 0.857 222 V CB 1.288 33.122 31.823 0.019 0.000 0.985 222 V HN 0.944 nan 8.190 nan 0.000 0.443 223 C N 4.804 124.092 119.300 -0.019 0.000 2.335 223 C HA 0.449 4.909 4.460 0.000 0.000 0.318 223 C C 1.257 176.160 174.990 -0.146 0.000 1.150 223 C CA -0.393 58.582 59.018 -0.071 0.000 1.466 223 C CB -0.032 27.667 27.740 -0.069 0.000 2.024 223 C HN 1.048 nan 8.230 nan 0.000 0.429 224 E N 1.808 121.933 120.200 -0.125 0.000 2.358 224 E HA -0.034 4.316 4.350 0.000 0.000 0.195 224 E C 0.832 177.291 176.600 -0.235 0.000 1.010 224 E CA 0.331 56.631 56.400 -0.166 0.000 0.856 224 E CB 0.321 29.976 29.700 -0.074 0.000 0.795 224 E HN 0.641 nan 8.360 nan 0.000 0.504 225 S N -0.052 115.540 115.700 -0.179 0.000 2.411 225 S HA 0.114 4.584 4.470 0.000 0.000 0.294 225 S C 0.411 174.925 174.600 -0.143 0.000 1.115 225 S CA -0.579 57.559 58.200 -0.104 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 3.823 123.801 119.950 0.048 0.000 2.365 226 F HA 0.037 4.564 4.527 0.000 0.000 0.300 226 F C 1.755 177.589 175.800 0.058 0.000 1.090 226 F CA 0.380 58.414 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 0.467 121.808 121.223 0.196 0.000 2.046 227 L HA -0.078 4.262 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 -0.981 41.143 42.059 0.108 0.000 0.896 227 L HN 0.023 nan 8.230 nan 0.000 0.432 228 A N -1.082 121.778 122.820 0.066 0.000 2.067 228 A HA -0.057 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 1.189 53.240 52.037 0.023 0.000 0.683 228 A CB -0.786 18.211 19.000 -0.004 0.000 0.808 228 A HN 0.473 nan 8.150 nan 0.000 0.455 229 L N 0.572 121.803 121.223 0.014 0.000 2.012 229 L HA -0.051 4.290 4.340 0.000 0.000 0.210 229 L C -0.792 176.067 176.870 -0.018 0.000 1.073 229 L CA 2.389 57.231 54.840 0.003 0.000 0.748 229 L CB -1.085 40.998 42.059 0.041 0.000 0.891 229 L HN 0.153 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 1.743 64.831 63.100 -0.020 0.000 0.848 230 P CB -0.374 31.413 31.700 0.145 0.000 0.787 231 G N -0.338 108.011 108.800 -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 44.816 45.100 -1.484 0.000 0.769 231 G HN 0.144 nan 8.290 nan 0.000 0.547 232 V N 0.484 120.234 119.914 -0.273 0.000 2.343 232 V HA -0.169 3.951 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 1.518 63.745 62.300 -0.121 0.000 1.036 232 V CB -0.324 31.453 31.823 -0.076 0.000 0.654 232 V HN 0.256 nan 8.190 nan 0.000 0.451 233 V N 0.227 120.080 119.914 -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 1.837 64.099 62.300 -0.064 0.000 1.035 233 V CB -1.046 30.759 31.823 -0.031 0.000 0.658 233 V HN 0.555 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 1.812 179.206 177.584 -0.317 0.000 1.164 234 A CA 1.476 53.376 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 0.687 nan 8.150 nan 0.000 0.449 235 H N -0.694 118.334 119.070 -0.070 0.000 2.487 235 H HA 0.287 4.843 4.556 0.000 0.000 0.290 235 H C 0.197 175.505 175.328 -0.033 0.000 1.081 235 H CA 0.643 56.671 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 0.031 0.000 2.819 236 S HA 0.230 4.701 4.470 0.000 0.000 0.299 236 S C -0.200 174.404 174.600 0.007 0.000 1.192 236 S CA -0.812 57.396 58.200 0.013 0.000 0.847 236 S CB 2.070 65.270 63.200 0.000 0.000 1.224 236 S HN -0.088 nan 8.310 nan 0.000 0.537 237 D N 0.460 120.854 120.400 -0.010 0.000 2.388 237 D HA 0.389 5.030 4.640 0.000 0.000 0.221 237 D C -0.140 176.209 176.300 0.083 0.000 1.133 237 D CA -0.064 53.938 54.000 0.004 0.000 0.831 237 D CB -0.194 40.517 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 0.173 4.513 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 -0.055 54.735 54.840 -0.084 0.000 0.858 238 L CB 0.747 42.772 42.059 -0.056 0.000 1.120 238 L HN -0.212 nan 8.230 nan 0.000 0.474 239 L N 2.194 123.165 121.223 -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 -0.190 54.320 54.840 -0.550 0.000 0.803 239 L CB 1.770 43.072 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 0.506 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 -0.422 61.891 62.100 0.355 0.000 1.008 240 T CB 1.852 70.846 68.868 0.211 0.000 1.289 240 T HN 0.747 nan 8.240 nan 0.000 0.514 241 T N 1.035 115.773 114.554 0.306 0.000 2.859 241 T HA 0.769 5.119 4.350 0.000 0.000 0.281 241 T C -0.135 174.697 174.700 0.221 0.000 1.005 241 T CA -0.821 61.405 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 0.305 120.015 119.600 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 0.120 nan 4.420 nan 0.000 0.266 243 P C -0.086 177.274 177.300 0.100 0.000 1.195 243 P CA -0.053 63.072 63.100 0.043 0.000 0.768 243 P CB 0.579 32.258 31.700 -0.034 0.000 0.838 244 R N 2.084 122.652 120.500 0.113 0.000 2.117 244 R HA -0.160 4.180 4.340 0.000 0.000 0.243 244 R C 1.379 177.782 176.300 0.171 0.000 1.143 244 R CA 2.185 58.385 56.100 0.166 0.000 0.968 244 R CB -0.822 29.560 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 -0.194 4.156 4.350 0.000 0.000 0.268 245 T C 1.630 176.363 174.700 0.055 0.000 1.036 245 T CA 1.456 63.596 62.100 0.067 0.000 1.147 245 T CB -0.255 68.630 68.868 0.027 0.000 0.862 245 T HN 0.192 nan 8.240 nan 0.000 0.446 246 L N 0.279 121.540 121.223 0.064 0.000 2.056 246 L HA 0.002 4.342 4.340 0.000 0.000 0.207 246 L C 2.138 179.087 176.870 0.131 0.000 1.078 246 L CA 1.574 56.462 54.840 0.081 0.000 0.749 246 L CB -0.903 41.201 42.059 0.075 0.000 0.901 246 L HN 0.300 nan 8.230 nan 0.000 0.433 247 Y N 0.783 121.118 120.300 0.059 0.000 2.165 247 Y HA -0.242 4.308 4.550 0.000 0.000 0.286 247 Y C 2.291 178.224 175.900 0.056 0.000 1.155 247 Y CA 2.237 60.375 58.100 0.064 0.000 1.164 247 Y CB -0.226 38.269 38.460 0.058 0.000 0.978 247 Y HN 0.420 nan 8.280 nan 0.000 0.513 248 E N -0.123 120.011 120.200 -0.110 0.000 2.216 248 E HA -0.026 4.324 4.350 0.000 0.000 0.192 248 E C 0.360 176.888 176.600 -0.121 0.000 0.988 248 E CA 0.507 56.800 56.400 -0.179 0.000 0.834 248 E CB 0.074 29.752 29.700 -0.037 0.000 0.772 248 E HN 0.345 nan 8.360 nan 0.000 0.479 249 R N 1.552 122.019 120.500 -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 0.009 0.000 1.525 249 R CA -0.333 55.751 56.100 -0.027 0.000 1.460 249 R CB 0.312 30.604 30.300 -0.014 0.000 1.134 249 R HN 0.149 nan 8.270 nan 0.000 0.592 250 N N -1.437 117.268 118.700 0.009 0.000 2.934 250 N HA 0.313 5.053 4.740 0.000 0.000 0.253 250 N C -0.077 175.462 175.510 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 0.250 4.570 4.320 0.000 0.000 0.211 251 A C 0.037 177.372 177.584 -0.416 0.000 1.158 251 A CA 0.431 52.358 52.037 -0.182 0.000 0.761 251 A CB -0.875 17.949 19.000 -0.293 0.000 0.801 251 A HN 0.560 nan 8.150 nan 0.000 0.473 252 F N -0.851 119.098 119.950 -0.001 0.000 2.764 252 F HA 0.261 4.788 4.527 0.000 0.000 0.310 252 F C 1.440 177.221 175.800 -0.032 0.000 1.124 252 F CA -0.457 57.538 58.000 -0.009 0.000 1.252 252 F CB 0.378 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 1.133 177.727 176.600 -0.010 0.000 1.050 253 K CA 2.032 58.296 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 0.435 120.832 120.400 -0.005 0.000 2.309 254 D HA -0.112 4.528 4.640 0.000 0.000 0.212 254 D C 1.094 177.412 176.300 0.030 0.000 0.968 254 D CA 1.055 55.059 54.000 0.006 0.000 0.882 254 D CB 0.100 40.895 40.800 -0.008 0.000 0.918 254 D HN 0.335 nan 8.370 nan 0.000 0.503 255 Q N -0.649 119.184 119.800 0.055 0.000 2.219 255 Q HA 0.295 4.635 4.340 0.000 0.000 0.209 255 Q C 0.040 176.076 176.000 0.060 0.000 0.854 255 Q CA 0.017 55.848 55.803 0.047 0.000 0.960 255 Q CB 1.315 30.076 28.738 0.037 0.000 1.116 255 Q HN 0.186 nan 8.270 nan 0.000 0.500 256 L N -0.344 120.939 121.223 0.099 0.000 2.354 256 L HA 0.613 4.954 4.340 0.000 0.000 0.264 256 L C -0.991 176.011 176.870 0.221 0.000 1.008 256 L CA -0.991 53.941 54.840 0.154 0.000 0.819 256 L CB 2.409 44.597 42.059 0.215 0.000 1.339 256 L HN -0.034 nan 8.230 nan 0.000 0.420 257 C N 0.391 119.819 119.300 0.215 0.000 2.782 257 C HA 0.467 4.927 4.460 0.000 0.000 0.328 257 C C 0.121 175.114 174.990 0.004 0.000 1.145 257 C CA -1.015 58.117 59.018 0.191 0.000 1.358 257 C CB 1.982 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 3.271 118.841 115.700 -0.216 0.000 2.565 258 S HA 0.614 5.084 4.470 0.000 0.000 0.276 258 S C -0.299 174.193 174.600 -0.180 0.000 1.326 258 S CA -0.445 57.493 58.200 -0.436 0.000 1.045 258 S CB 0.386 63.160 63.200 -0.709 0.000 0.918 258 S HN 0.510 nan 8.310 nan 0.000 0.505 259 I N 3.399 123.877 120.570 -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 -2.750 58.496 61.300 -0.090 0.000 1.375 259 I CB 0.234 38.187 38.000 -0.080 0.000 1.407 259 I HN 0.542 nan 8.210 nan 0.000 0.516 260 P HA 0.210 nan 4.420 nan 0.000 0.218 260 P C -0.180 177.102 177.300 -0.029 0.000 1.793 260 P CA -0.198 62.884 63.100 -0.031 0.000 0.941 260 P CB -0.055 31.636 31.700 -0.015 0.000 1.919 261 L N 0.917 122.118 121.223 -0.037 0.000 2.456 261 L HA 0.071 4.412 4.340 0.000 0.000 0.272 261 L C 1.622 178.469 176.870 -0.037 0.000 1.189 261 L CA 0.295 55.108 54.840 -0.044 0.000 0.846 261 L CB 0.181 42.206 42.059 -0.057 0.000 1.111 261 L HN 0.125 nan 8.230 nan 0.000 0.475 262 Q N 0.765 120.542 119.800 -0.039 0.000 2.220 262 Q HA 0.124 4.464 4.340 0.000 0.000 0.205 262 Q C -0.847 175.140 176.000 -0.023 0.000 0.865 262 Q CA -0.198 55.592 55.803 -0.022 0.000 0.960 262 Q CB 0.614 29.344 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 4.931 4.640 0.000 0.000 0.246 263 D C -0.371 175.919 176.300 -0.016 0.000 1.114 263 D CA -0.083 53.861 54.000 -0.094 0.000 0.854 263 D CB 1.343 41.873 40.800 -0.450 0.000 1.132 263 D HN 0.145 nan 8.370 nan 0.000 0.461 264 A N 3.138 126.031 122.820 0.121 0.000 2.477 264 A HA 0.385 4.705 4.320 0.000 0.000 0.246 264 A C 0.115 177.784 177.584 0.142 0.000 1.078 264 A CA -0.078 52.026 52.037 0.111 0.000 0.770 264 A CB 0.176 19.240 19.000 0.106 0.000 1.011 264 A HN 0.586 nan 8.150 nan 0.000 0.494 265 L N 2.928 124.198 121.223 0.078 0.000 2.334 265 L HA 0.486 4.826 4.340 0.000 0.000 0.270 265 L C -1.831 175.075 176.870 0.060 0.000 1.018 265 L CA -2.156 52.731 54.840 0.078 0.000 0.811 265 L CB 1.217 43.303 42.059 0.044 0.000 1.271 265 L HN 0.517 nan 8.230 nan 0.000 0.443 266 P HA 0.108 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 1.154 119.847 118.700 -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 51.947 53.050 -0.049 0.000 0.828 267 N CB 1.012 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 0.078 nan 4.420 nan 0.000 0.268 268 P C -0.231 176.992 177.300 -0.128 0.000 1.204 268 P CA 0.250 63.300 63.100 -0.083 0.000 0.768 268 P CB 0.615 32.283 31.700 -0.053 0.000 0.842 269 T N 4.279 118.738 114.554 -0.159 0.000 2.780 269 T HA 0.316 4.666 4.350 0.000 0.000 0.294 269 T C 0.438 174.967 174.700 -0.285 0.000 0.949 269 T CA -0.247 61.683 62.100 -0.284 0.000 1.074 269 T CB 0.098 68.728 68.868 -0.396 0.000 0.910 269 T HN 0.134 nan 8.240 nan 0.000 0.501 270 I N 3.757 124.177 120.570 -0.250 0.000 2.365 270 I HA 0.367 4.537 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 -0.799 60.438 61.300 -0.105 0.000 1.311 270 I CB 0.292 38.325 38.000 0.056 0.000 1.401 270 I HN 0.616 nan 8.210 nan 0.000 0.491 271 Y N 3.773 124.083 120.300 0.016 0.000 2.562 271 Y HA 0.473 5.023 4.550 0.000 0.000 0.343 271 Y C 0.165 176.082 175.900 0.028 0.000 1.025 271 Y CA -1.013 57.087 58.100 0.000 0.000 1.082 271 Y CB 1.814 40.249 38.460 -0.042 0.000 1.264 271 Y HN 0.169 nan 8.280 nan 0.000 0.478 272 V N 4.378 124.402 119.914 0.183 0.000 2.389 272 V HA 0.215 4.335 4.120 0.000 0.000 0.264 272 V C -0.204 175.969 176.094 0.131 0.000 1.049 272 V CA -0.447 61.924 62.300 0.118 0.000 0.932 272 V CB -0.052 31.749 31.823 -0.037 0.000 1.011 272 V HN 0.477 nan 8.190 nan 0.000 0.475 273 L N 6.735 128.056 121.223 0.162 0.000 2.317 273 L HA 0.703 5.043 4.340 0.000 0.000 0.281 273 L C 0.197 177.161 176.870 0.157 0.000 1.024 273 L CA -0.492 54.413 54.840 0.107 0.000 0.810 273 L CB 1.600 43.705 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 0.454 4.794 4.340 0.000 0.000 0.268 274 R C -0.939 175.429 176.300 0.114 0.000 1.027 274 R CA -1.123 55.059 56.100 0.137 0.000 0.928 274 R CB 2.293 32.667 30.300 0.125 0.000 1.228 274 R HN 0.465 nan 8.270 nan 0.000 0.469 275 R N 1.008 121.571 120.500 0.105 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 0.099 0.000 1.067 275 R CA 0.135 56.293 56.100 0.096 0.000 0.946 275 R CB 0.267 30.610 30.300 0.072 0.000 0.991 275 R HN 0.683 nan 8.270 nan 0.000 0.448 276 H N 3.264 122.348 119.070 0.023 0.000 2.352 276 H HA -0.164 4.392 4.556 0.000 0.000 0.299 276 H C 1.106 176.443 175.328 0.015 0.000 1.097 276 H CA 2.533 58.589 56.048 0.014 0.000 1.311 276 H CB 0.296 30.060 29.762 0.003 0.000 1.377 276 H HN 0.822 nan 8.280 nan 0.000 0.504 277 D N 0.035 120.394 120.400 -0.068 0.000 2.363 277 D HA -0.049 4.591 4.640 0.000 0.000 0.226 277 D C 0.156 176.402 176.300 -0.091 0.000 1.020 277 D CA 0.078 54.007 54.000 -0.117 0.000 0.892 277 D CB -0.540 40.255 40.800 -0.009 0.000 0.900 277 D HN 0.364 nan 8.370 nan 0.000 0.531 278 L N 1.708 122.895 121.223 -0.059 0.000 2.290 278 L HA 0.330 4.670 4.340 0.000 0.000 0.284 278 L C -2.046 174.797 176.870 -0.046 0.000 1.078 278 L CA -1.963 52.859 54.840 -0.030 0.000 0.815 278 L CB 0.662 42.726 42.059 0.008 0.000 1.162 278 L HN -0.171 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 -0.004 0.000 1.253 279 P CA -0.127 62.954 63.100 -0.032 0.000 0.766 279 P CB 1.422 33.108 31.700 -0.023 0.000 0.845 280 V N 4.903 124.815 119.914 -0.004 0.000 2.585 280 V HA 0.098 4.218 4.120 0.000 0.000 0.296 280 V C 0.788 176.900 176.094 0.030 0.000 1.035 280 V CA 0.184 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 0.838 nan 8.190 nan 0.000 0.483 281 T N 5.216 119.801 114.554 0.053 0.000 2.898 281 T HA 0.284 4.634 4.350 0.000 0.000 0.301 281 T C -1.624 173.119 174.700 0.071 0.000 1.049 281 T CA -0.959 61.179 62.100 0.062 0.000 1.095 281 T CB 0.962 69.879 68.868 0.082 0.000 0.976 281 T HN 0.586 nan 8.240 nan 0.000 0.539 282 P HA -0.102 nan 4.420 nan 0.000 0.216 282 P C 1.710 179.083 177.300 0.122 0.000 1.153 282 P CA 1.685 64.874 63.100 0.148 0.000 0.858 282 P CB -0.272 31.577 31.700 0.247 0.000 0.789 283 A N -0.140 122.768 122.820 0.147 0.000 1.877 283 A HA -0.130 4.190 4.320 0.000 0.000 0.216 283 A C 2.336 179.920 177.584 0.001 0.000 1.186 283 A CA 2.199 54.250 52.037 0.024 0.000 0.620 283 A CB -1.628 17.479 19.000 0.178 0.000 0.822 283 A HN 0.194 nan 8.150 nan 0.000 0.443 284 A N -0.144 122.704 122.820 0.047 0.000 1.902 284 A HA 0.145 4.466 4.320 0.000 0.000 0.217 284 A C 2.509 180.050 177.584 -0.072 0.000 1.181 284 A CA 2.146 54.210 52.037 0.044 0.000 0.623 284 A CB -1.051 18.044 19.000 0.158 0.000 0.818 284 A HN 1.105 nan 8.150 nan 0.000 0.443 285 A N -0.470 122.320 122.820 -0.050 0.000 1.940 285 A HA 0.075 4.395 4.320 0.000 0.000 0.219 285 A C 2.400 179.943 177.584 -0.069 0.000 1.176 285 A CA 2.023 54.012 52.037 -0.081 0.000 0.631 285 A CB -1.369 17.615 19.000 -0.027 0.000 0.814 285 A HN 0.740 nan 8.150 nan 0.000 0.446 286 G N -0.341 108.448 108.800 -0.018 0.000 2.402 286 G HA2 -0.110 3.850 3.960 0.000 0.000 0.216 286 G HA3 -0.110 3.850 3.960 0.000 0.000 0.216 286 G C 1.470 176.530 174.900 0.267 0.000 1.162 286 G CA 1.166 46.335 45.100 0.114 0.000 0.777 286 G HN 0.503 nan 8.290 nan 0.000 0.539 287 L N 0.825 122.084 121.223 0.060 0.000 2.056 287 L HA 0.112 4.452 4.340 0.000 0.000 0.207 287 L C 2.636 179.433 176.870 -0.122 0.000 1.078 287 L CA 1.299 56.033 54.840 -0.178 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 -0.485 119.912 120.570 -0.290 0.000 2.226 288 I HA -0.318 3.852 4.170 0.000 0.000 0.245 288 I C 2.737 178.753 176.117 -0.169 0.000 1.100 288 I CA 1.553 62.623 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 0.531 120.953 120.500 -0.129 0.000 2.103 289 R HA -0.232 4.108 4.340 0.000 0.000 0.242 289 R C 2.177 178.409 176.300 -0.114 0.000 1.142 289 R CA 2.111 58.115 56.100 -0.160 0.000 0.960 289 R CB -0.462 29.689 30.300 -0.249 0.000 0.858 289 R HN 0.355 nan 8.270 nan 0.000 0.439 290 W N 0.521 121.872 121.300 0.085 0.000 2.388 290 W HA -0.016 4.644 4.660 0.000 0.000 0.294 290 W C 2.070 178.702 176.519 0.188 0.000 1.212 290 W CA 0.473 57.923 57.345 0.175 0.000 1.271 290 W CB -0.054 29.569 29.460 0.272 0.000 1.126 290 W HN 0.078 nan 8.180 nan 0.000 0.535 291 I N -0.064 120.680 120.570 0.290 0.000 2.179 291 I HA -0.348 3.823 4.170 0.000 0.000 0.242 291 I C 2.603 178.788 176.117 0.114 0.000 1.088 291 I CA 1.152 62.553 61.300 0.169 0.000 1.357 291 I CB -0.715 37.296 38.000 0.018 0.000 1.051 291 I HN 0.002 nan 8.210 nan 0.000 0.409 292 Q N -0.078 119.749 119.800 0.046 0.000 2.096 292 Q HA -0.301 4.039 4.340 0.000 0.000 0.204 292 Q C 2.197 178.217 176.000 0.033 0.000 0.982 292 Q CA 2.032 57.845 55.803 0.017 0.000 0.850 292 Q CB -0.696 28.026 28.738 -0.027 0.000 0.901 292 Q HN 0.613 nan 8.270 nan 0.000 0.422 293 H N 0.127 119.167 119.070 -0.049 0.000 2.352 293 H HA -0.127 4.430 4.556 0.000 0.000 0.299 293 H C 1.586 176.832 175.328 -0.136 0.000 1.097 293 H CA 1.850 57.821 56.048 -0.129 0.000 1.311 293 H CB 0.039 29.676 29.762 -0.209 0.000 1.377 293 H HN 0.287 nan 8.280 nan 0.000 0.504 294 H N -0.980 118.073 119.070 -0.029 0.000 2.551 294 H HA 0.336 4.892 4.556 0.000 0.000 0.266 294 H C 1.124 176.379 175.328 -0.121 0.000 0.964 294 H CA 0.754 56.733 56.048 -0.114 0.000 1.180 294 H CB 0.150 29.928 29.762 0.026 0.000 1.408 294 H HN 0.463 nan 8.280 nan 0.000 0.563 295 A N 1.250 124.066 122.820 -0.007 0.000 2.579 295 A HA 0.320 4.640 4.320 0.000 0.000 0.273 295 A C 0.252 177.855 177.584 0.032 0.000 1.363 295 A CA -0.152 51.842 52.037 -0.072 0.000 0.953 295 A CB -0.920 18.055 19.000 -0.040 0.000 1.034 295 A HN 0.236 nan 8.150 nan 0.000 0.536 296 L N 0.000 121.220 121.223 -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 54.860 54.840 0.033 0.000 0.813 296 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502