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_D 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 3.441 124.692 121.223 0.047 0.000 2.483 2 L HA 0.243 4.583 4.340 0.001 0.000 0.276 2 L C -0.008 176.895 176.870 0.056 0.000 1.213 2 L CA 0.342 55.227 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 2.006 122.442 120.400 0.059 0.000 2.358 3 K HA 0.194 4.514 4.320 0.001 0.000 0.260 3 K C 0.576 177.209 176.600 0.054 0.000 0.956 3 K CA -0.739 55.575 56.287 0.045 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 4.404 125.652 121.223 0.042 0.000 2.042 4 L HA -0.216 4.125 4.340 0.001 0.000 0.210 4 L C 2.328 179.221 176.870 0.039 0.000 1.076 4 L CA 1.999 56.862 54.840 0.039 0.000 0.749 4 L CB -0.410 41.664 42.059 0.025 0.000 0.893 4 L HN 0.891 nan 8.230 nan 0.000 0.432 5 Q N -1.384 118.436 119.800 0.032 0.000 2.135 5 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 5 Q C 1.825 177.848 176.000 0.038 0.000 0.981 5 Q CA 2.337 58.158 55.803 0.030 0.000 0.856 5 Q CB -0.101 28.651 28.738 0.023 0.000 0.902 5 Q HN 0.617 nan 8.270 nan 0.000 0.425 6 T N 1.422 116.004 114.554 0.046 0.000 2.821 6 T HA -0.068 4.283 4.350 0.001 0.000 0.267 6 T C 1.826 176.577 174.700 0.085 0.000 1.046 6 T CA 0.944 63.078 62.100 0.056 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 0.805 122.091 121.223 0.104 0.000 2.012 7 L HA -0.178 4.163 4.340 0.001 0.000 0.210 7 L C 2.894 179.811 176.870 0.078 0.000 1.073 7 L CA 1.544 56.459 54.840 0.126 0.000 0.748 7 L CB -0.715 41.401 42.059 0.095 0.000 0.891 7 L HN 0.326 nan 8.230 nan 0.000 0.431 8 Q N -0.204 119.625 119.800 0.050 0.000 2.124 8 Q HA -0.191 4.149 4.340 0.001 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 -0.277 28.474 28.738 0.021 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 0.041 0.000 1.902 9 A HA -0.172 4.148 4.320 0.001 0.000 0.217 9 A C 2.027 179.638 177.584 0.045 0.000 1.181 9 A CA 1.103 53.162 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 -0.074 121.189 121.223 0.067 0.000 2.056 10 L HA -0.082 4.259 4.340 0.001 0.000 0.207 10 L C 2.216 179.128 176.870 0.069 0.000 1.078 10 L CA 1.618 56.507 54.840 0.082 0.000 0.749 10 L CB -0.448 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 -1.570 119.035 120.570 0.059 0.000 2.163 11 I HA -0.391 3.780 4.170 0.001 0.000 0.243 11 I C 2.768 178.899 176.117 0.024 0.000 1.085 11 I CA 1.504 62.825 61.300 0.035 0.000 1.347 11 I CB -0.574 37.437 38.000 0.017 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 0.001 0.000 0.277 12 C C 2.767 177.768 174.990 0.018 0.000 1.262 12 C CA 0.824 59.852 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 0.853 121.438 120.570 0.025 0.000 2.163 13 I HA -0.202 3.968 4.170 0.001 0.000 0.243 13 I C 2.588 178.719 176.117 0.023 0.000 1.085 13 I CA 2.267 63.582 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 1.386 121.603 120.200 0.029 0.000 2.085 14 E HA -0.250 4.101 4.350 0.001 0.000 0.194 14 E C 1.982 178.591 176.600 0.015 0.000 0.994 14 E CA 1.540 57.955 56.400 0.025 0.000 0.801 14 E CB -0.140 29.579 29.700 0.032 0.000 0.743 14 E HN 0.353 nan 8.360 nan 0.000 0.453 15 E N -0.164 120.043 120.200 0.011 0.000 2.085 15 E HA -0.140 4.210 4.350 0.001 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 0.005 0.000 0.801 15 E CB -0.111 29.591 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 0.001 0.000 0.263 16 V C 1.441 177.539 176.094 0.008 0.000 1.272 16 V CA 0.770 63.074 62.300 0.007 0.000 1.080 16 V CB 0.350 32.178 31.823 0.007 0.000 0.816 16 V HN 0.246 nan 8.190 nan 0.000 0.451 17 G N -0.257 108.549 108.800 0.010 0.000 2.162 17 G HA2 0.002 3.962 3.960 0.001 0.000 0.260 17 G HA3 0.002 3.962 3.960 0.001 0.000 0.260 17 G C 0.227 175.133 174.900 0.010 0.000 0.976 17 G CA 0.783 45.889 45.100 0.010 0.000 0.655 17 G HN 1.643 nan 8.290 nan 0.000 0.533 18 S N -2.210 113.496 115.700 0.010 0.000 2.546 18 S HA 0.984 5.454 4.470 0.001 0.000 0.274 18 S C 1.396 176.002 174.600 0.011 0.000 1.121 18 S CA 0.119 58.325 58.200 0.009 0.000 0.887 18 S CB 0.986 64.191 63.200 0.008 0.000 1.094 18 S HN 1.755 nan 8.310 nan 0.000 0.474 19 L N 1.448 122.678 121.223 0.010 0.000 2.027 19 L HA 0.245 4.586 4.340 0.001 0.000 0.206 19 L C 2.943 179.818 176.870 0.009 0.000 1.074 19 L CA 2.849 57.695 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 -0.210 120.294 120.500 0.008 0.000 2.091 20 R HA 0.079 4.419 4.340 0.001 0.000 0.238 20 R C 2.638 178.942 176.300 0.007 0.000 1.136 20 R CA 2.681 58.785 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 0.513 123.337 122.820 0.008 0.000 1.930 21 A HA 0.301 4.621 4.320 0.001 0.000 0.217 21 A C 2.805 180.395 177.584 0.009 0.000 1.175 21 A CA 1.803 53.845 52.037 0.008 0.000 0.627 21 A CB -0.730 18.274 19.000 0.007 0.000 0.815 21 A HN 0.926 nan 8.150 nan 0.000 0.443 22 A N -0.043 122.783 122.820 0.010 0.000 1.873 22 A HA 0.220 4.540 4.320 0.001 0.000 0.215 22 A C 2.523 180.114 177.584 0.011 0.000 1.186 22 A CA 1.916 53.960 52.037 0.011 0.000 0.616 22 A CB -1.129 17.880 19.000 0.014 0.000 0.823 22 A HN 1.071 nan 8.150 nan 0.000 0.442 23 A N -1.177 121.649 122.820 0.010 0.000 1.917 23 A HA -0.123 4.198 4.320 0.001 0.000 0.219 23 A C 2.430 180.019 177.584 0.009 0.000 1.182 23 A CA 3.049 55.092 52.037 0.010 0.000 0.633 23 A CB -1.263 17.742 19.000 0.009 0.000 0.819 23 A HN 0.889 nan 8.150 nan 0.000 0.448 24 Q N -1.422 118.384 119.800 0.009 0.000 2.061 24 Q HA 0.040 4.381 4.340 0.001 0.000 0.204 24 Q C 2.609 178.614 176.000 0.009 0.000 0.984 24 Q CA 3.090 58.898 55.803 0.008 0.000 0.846 24 Q CB -1.831 nan 28.738 nan 0.000 0.902 24 Q HN 1.479 nan 8.270 nan 0.000 0.421 25 L N -0.265 120.964 121.223 0.009 0.000 2.083 25 L HA 0.400 4.741 4.340 0.001 0.000 0.209 25 L C 3.033 179.909 176.870 0.011 0.000 1.083 25 L CA 2.509 57.355 54.840 0.010 0.000 0.752 25 L CB -1.785 nan 42.059 nan 0.000 0.899 25 L HN 1.099 nan 8.230 nan 0.000 0.433 26 L N -2.003 119.227 121.223 0.011 0.000 2.612 26 L HA 0.448 4.788 4.340 0.001 0.000 0.230 26 L C 1.862 178.739 176.870 0.011 0.000 1.140 26 L CA 1.581 56.428 54.840 0.012 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 -3.059 116.018 119.070 0.010 0.000 2.677 27 H HA 0.357 4.914 4.556 0.001 0.000 0.321 27 H C 0.072 175.406 175.328 0.009 0.000 1.171 27 H CA 0.696 56.750 56.048 0.010 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 0.170 121.399 121.223 0.009 0.000 2.393 28 L HA 0.957 5.297 4.340 0.001 0.000 0.260 28 L C 0.867 177.742 176.870 0.008 0.000 1.002 28 L CA -0.089 54.756 54.840 0.009 0.000 0.818 28 L CB 1.134 nan 42.059 nan 0.000 1.369 28 L HN 1.934 nan 8.230 nan 0.000 0.412 29 S N 0.982 116.686 115.700 0.007 0.000 2.546 29 S HA 0.372 4.842 4.470 0.001 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 0.006 0.000 1.069 29 S CB 0.896 64.099 63.200 0.005 0.000 0.846 29 S HN 2.248 nan 8.310 nan 0.000 0.495 30 Q N 4.486 124.289 119.800 0.006 0.000 2.152 30 Q HA -0.066 4.275 4.340 0.001 0.000 0.206 30 Q C -0.503 175.500 176.000 0.005 0.000 0.985 30 Q CA 2.075 57.881 55.803 0.006 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 0.166 nan 4.420 nan 0.000 0.221 31 P C 1.433 178.735 177.300 0.003 0.000 1.155 31 P CA 1.332 64.434 63.100 0.003 0.000 0.812 31 P CB -0.052 31.649 31.700 0.002 0.000 0.801 32 A N 0.084 122.907 122.820 0.004 0.000 1.902 32 A HA -0.186 4.134 4.320 0.001 0.000 0.217 32 A C 2.092 179.680 177.584 0.006 0.000 1.181 32 A CA 1.424 53.464 52.037 0.005 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 0.050 121.277 121.223 0.007 0.000 2.012 33 L HA -0.136 4.204 4.340 0.001 0.000 0.210 33 L C 2.529 179.403 176.870 0.007 0.000 1.073 33 L CA 2.640 57.486 54.840 0.009 0.000 0.748 33 L CB -0.961 41.104 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 4.251 4.470 0.001 0.000 0.224 34 S C 2.105 176.705 174.600 -0.001 0.000 1.035 34 S CA 1.229 59.431 58.200 0.002 0.000 1.018 34 S CB -0.705 62.496 63.200 0.002 0.000 0.876 34 S HN 0.710 nan 8.310 nan 0.000 0.448 35 A N 1.650 124.469 122.820 -0.001 0.000 1.884 35 A HA -0.122 4.199 4.320 0.001 0.000 0.219 35 A C 2.372 179.954 177.584 -0.004 0.000 1.197 35 A CA 2.174 54.209 52.037 -0.003 0.000 0.637 35 A CB -1.295 17.704 19.000 -0.001 0.000 0.827 35 A HN 0.569 nan 8.150 nan 0.000 0.450 36 A N -0.287 122.534 122.820 0.000 0.000 1.877 36 A HA -0.044 4.277 4.320 0.001 0.000 0.216 36 A C 2.050 179.633 177.584 -0.002 0.000 1.186 36 A CA 1.647 53.685 52.037 0.002 0.000 0.620 36 A CB -0.508 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 -0.472 120.098 120.570 -0.002 0.000 2.179 37 I HA -0.218 3.952 4.170 0.001 0.000 0.242 37 I C 2.609 178.710 176.117 -0.025 0.000 1.088 37 I CA 1.833 63.128 61.300 -0.009 0.000 1.357 37 I CB -1.497 36.502 38.000 -0.000 0.000 1.051 37 I HN 0.368 nan 8.210 nan 0.000 0.409 38 Q N 1.014 120.802 119.800 -0.020 0.000 2.181 38 Q HA -0.239 4.102 4.340 0.001 0.000 0.205 38 Q C 2.225 178.205 176.000 -0.034 0.000 0.980 38 Q CA 1.669 57.456 55.803 -0.026 0.000 0.862 38 Q CB -0.311 28.416 28.738 -0.018 0.000 0.905 38 Q HN 0.496 nan 8.270 nan 0.000 0.429 39 Q N -0.973 118.810 119.800 -0.028 0.000 2.050 39 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 39 Q C 1.857 177.830 176.000 -0.045 0.000 0.980 39 Q CA 1.475 57.260 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 0.438 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 4.180 4.340 0.001 0.000 0.208 40 L C 1.709 178.498 176.870 -0.135 0.000 1.077 40 L CA 1.879 56.667 54.840 -0.088 0.000 0.747 40 L CB -0.306 41.700 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 0.001 0.000 0.191 41 E C 1.796 178.329 176.600 -0.111 0.000 0.987 41 E CA 1.270 57.594 56.400 -0.126 0.000 0.799 41 E CB -0.162 29.486 29.700 -0.086 0.000 0.752 41 E HN 0.504 nan 8.360 nan 0.000 0.449 42 D N 0.683 121.035 120.400 -0.079 0.000 2.123 42 D HA -0.177 4.463 4.640 0.001 0.000 0.196 42 D C 1.790 178.045 176.300 -0.074 0.000 0.992 42 D CA 1.096 55.056 54.000 -0.066 0.000 0.833 42 D CB -0.093 40.679 40.800 -0.047 0.000 0.954 42 D HN 0.179 nan 8.370 nan 0.000 0.455 43 E N -0.202 119.953 120.200 -0.075 0.000 2.046 43 E HA -0.030 4.321 4.350 0.001 0.000 0.190 43 E C 2.098 178.642 176.600 -0.093 0.000 0.982 43 E CA 0.230 56.588 56.400 -0.071 0.000 0.800 43 E CB -0.019 29.648 29.700 -0.055 0.000 0.756 43 E HN 0.191 nan 8.360 nan 0.000 0.449 44 L N 0.641 121.787 121.223 -0.130 0.000 2.450 44 L HA -0.108 4.232 4.340 0.001 0.000 0.224 44 L C 0.606 177.368 176.870 -0.180 0.000 1.149 44 L CA 0.821 55.562 54.840 -0.165 0.000 0.816 44 L CB -0.293 41.618 42.059 -0.247 0.000 0.932 44 L HN 0.147 nan 8.230 nan 0.000 0.449 45 K N -0.654 119.652 120.400 -0.156 0.000 3.035 45 K HA -0.197 4.124 4.320 0.001 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 -1.533 30.892 32.500 -0.125 0.000 1.247 45 K HN 0.415 nan 8.250 nan 0.000 0.482 46 A N 0.487 123.138 122.820 -0.281 0.000 2.488 46 A HA 0.571 4.891 4.320 0.001 0.000 0.298 46 A C -2.708 174.752 177.584 -0.206 0.000 1.044 46 A CA -1.429 50.356 52.037 -0.420 0.000 0.693 46 A CB 1.303 19.823 19.000 -0.800 0.000 1.272 46 A HN -0.059 nan 8.150 nan 0.000 0.402 47 P HA 0.267 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 -0.006 63.121 63.100 0.046 0.000 0.768 47 P CB 0.894 32.654 31.700 0.100 0.000 0.848 48 L N 2.029 123.278 121.223 0.043 0.000 2.470 48 L HA 0.242 4.582 4.340 0.001 0.000 0.219 48 L C 0.937 177.845 176.870 0.063 0.000 1.071 48 L CA 0.436 55.309 54.840 0.055 0.000 0.850 48 L CB -0.047 41.996 42.059 -0.027 0.000 1.040 48 L HN 0.284 nan 8.230 nan 0.000 0.475 49 L N 0.218 121.467 121.223 0.044 0.000 2.341 49 L HA 0.594 4.934 4.340 0.001 0.000 0.267 49 L C -0.895 175.995 176.870 0.033 0.000 1.009 49 L CA -1.003 53.858 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 -1.742 118.187 119.914 0.025 0.000 2.638 50 V HA 0.746 4.866 4.120 0.001 0.000 0.306 50 V C 0.067 176.169 176.094 0.013 0.000 1.052 50 V CA -0.936 61.376 62.300 0.019 0.000 0.885 50 V CB 1.325 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 0.001 0.000 0.305 51 R C 0.516 176.820 176.300 0.007 0.000 1.039 51 R CA 0.479 56.584 56.100 0.009 0.000 1.003 51 R CB -0.548 nan 30.300 nan 0.000 0.959 51 R HN 1.459 nan 8.270 nan 0.000 0.427 52 T N -1.687 112.871 114.554 0.006 0.000 2.919 52 T HA 0.627 4.977 4.350 0.001 0.000 0.282 52 T C 1.731 176.433 174.700 0.003 0.000 1.020 52 T CA -0.007 62.096 62.100 0.004 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 0.001 0.000 0.206 53 K C 2.555 179.157 176.600 0.002 0.000 1.049 53 K CA 2.007 58.295 56.287 0.002 0.000 0.933 53 K CB -1.655 30.845 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 0.498 4.838 4.340 0.001 0.000 0.202 54 R C 1.779 178.082 176.300 0.004 0.000 0.933 54 R CA 1.466 57.567 56.100 0.003 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 -1.457 107.346 108.800 0.005 0.000 1.930 55 G HA2 0.211 4.171 3.960 0.001 0.000 0.054 55 G HA3 0.211 4.171 3.960 0.001 0.000 0.054 55 G C -0.621 174.283 174.900 0.008 0.000 0.902 55 G CA 0.270 45.374 45.100 0.006 0.000 1.168 55 G HN 1.160 nan 8.290 nan 0.000 0.383 56 V N -1.727 118.193 119.914 0.009 0.000 2.914 56 V HA 0.930 5.050 4.120 0.001 0.000 0.314 56 V C -0.074 176.028 176.094 0.013 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 0.015 0.000 1.025 56 V HN 1.322 nan 8.190 nan 0.000 0.432 57 S N 1.453 117.161 115.700 0.014 0.000 2.599 57 S HA 0.785 5.255 4.470 0.001 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 0.014 0.000 0.899 57 S CB 1.490 64.694 63.200 0.007 0.000 1.100 57 S HN 0.763 nan 8.310 nan 0.000 0.482 58 L N 3.399 124.637 121.223 0.024 0.000 2.416 58 L HA 0.291 4.632 4.340 0.001 0.000 0.272 58 L C 1.259 178.141 176.870 0.020 0.000 1.161 58 L CA -0.498 54.364 54.840 0.036 0.000 0.845 58 L CB 0.582 42.671 42.059 0.049 0.000 1.119 58 L HN 0.788 nan 8.230 nan 0.000 0.464 59 T N -1.367 113.205 114.554 0.030 0.000 2.667 59 T HA 0.029 4.379 4.350 0.001 0.000 0.305 59 T C 1.405 176.066 174.700 -0.065 0.000 1.022 59 T CA -0.209 61.884 62.100 -0.012 0.000 0.995 59 T CB 0.791 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 0.553 116.126 115.700 -0.212 0.000 2.374 60 S HA -0.178 4.293 4.470 0.001 0.000 0.227 60 S C 1.728 176.210 174.600 -0.197 0.000 1.037 60 S CA 1.209 59.248 58.200 -0.267 0.000 1.024 60 S CB -1.191 61.739 63.200 -0.450 0.000 0.861 60 S HN 0.640 nan 8.310 nan 0.000 0.456 61 F N 2.831 122.803 119.950 0.037 0.000 2.102 61 F HA 0.167 4.694 4.527 0.001 0.000 0.298 61 F C 2.953 178.808 175.800 0.091 0.000 1.105 61 F CA 0.458 58.489 58.000 0.051 0.000 1.239 61 F CB -1.483 37.522 39.000 0.008 0.000 0.991 61 F HN 0.361 nan 8.300 nan 0.000 0.474 62 G N -0.618 108.318 108.800 0.226 0.000 2.440 62 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 62 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 62 G C 1.545 176.560 174.900 0.191 0.000 1.154 62 G CA 0.776 45.993 45.100 0.195 0.000 0.767 62 G HN 0.368 nan 8.290 nan 0.000 0.552 63 Q N 0.165 120.031 119.800 0.110 0.000 2.050 63 Q HA 0.011 4.351 4.340 0.001 0.000 0.202 63 Q C 3.043 179.095 176.000 0.086 0.000 0.980 63 Q CA 1.261 57.107 55.803 0.071 0.000 0.840 63 Q CB -0.288 28.462 28.738 0.021 0.000 0.898 63 Q HN 0.475 nan 8.270 nan 0.000 0.424 64 A N 0.505 123.398 122.820 0.123 0.000 1.902 64 A HA -0.201 4.119 4.320 0.001 0.000 0.217 64 A C 1.863 179.577 177.584 0.216 0.000 1.181 64 A CA 1.208 53.333 52.037 0.146 0.000 0.623 64 A CB -0.769 18.348 19.000 0.195 0.000 0.818 64 A HN 0.443 nan 8.150 nan 0.000 0.443 65 F N -0.076 119.960 119.950 0.143 0.000 2.234 65 F HA -0.142 4.386 4.527 0.001 0.000 0.299 65 F C 2.195 178.061 175.800 0.109 0.000 1.087 65 F CA 1.480 59.589 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 1.164 120.819 119.600 0.093 0.000 2.108 66 M HA -0.239 4.242 4.480 0.001 0.000 0.261 66 M C 2.214 178.427 176.300 -0.145 0.000 1.066 66 M CA 1.973 57.260 55.300 -0.022 0.000 1.107 66 M CB -1.415 31.202 32.600 0.029 0.000 1.356 66 M HN 0.293 nan 8.290 nan 0.000 0.406 67 K N -1.079 119.200 120.400 -0.201 0.000 2.097 67 K HA -0.186 4.135 4.320 0.001 0.000 0.206 67 K C 1.772 178.178 176.600 -0.323 0.000 1.049 67 K CA 1.427 57.554 56.287 -0.267 0.000 0.933 67 K CB -0.677 31.631 32.500 -0.320 0.000 0.717 67 K HN 0.378 nan 8.250 nan 0.000 0.442 68 H N 1.151 120.094 119.070 -0.211 0.000 2.326 68 H HA 0.046 4.603 4.556 0.001 0.000 0.301 68 H C 2.471 177.596 175.328 -0.338 0.000 1.081 68 H CA 1.507 57.392 56.048 -0.271 0.000 1.334 68 H CB -0.385 29.177 29.762 -0.335 0.000 1.385 68 H HN 0.443 nan 8.280 nan 0.000 0.504 69 A N 1.740 124.318 122.820 -0.403 0.000 1.892 69 A HA -0.234 4.086 4.320 0.001 0.000 0.218 69 A C 2.548 180.054 177.584 -0.129 0.000 1.188 69 A CA 1.788 53.644 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 -1.446 118.987 120.500 -0.112 0.000 2.081 70 R HA -0.093 4.247 4.340 0.001 0.000 0.235 70 R C 2.149 178.416 176.300 -0.056 0.000 1.131 70 R CA 1.406 57.465 56.100 -0.069 0.000 0.960 70 R CB -0.506 29.755 30.300 -0.066 0.000 0.856 70 R HN 0.490 nan 8.270 nan 0.000 0.436 71 L N 1.114 122.300 121.223 -0.061 0.000 2.027 71 L HA -0.115 4.225 4.340 0.001 0.000 0.206 71 L C 1.963 178.820 176.870 -0.023 0.000 1.074 71 L CA 1.583 56.404 54.840 -0.033 0.000 0.745 71 L CB -0.308 41.738 42.059 -0.021 0.000 0.898 71 L HN 0.116 nan 8.230 nan 0.000 0.433 72 I N -1.631 118.919 120.570 -0.032 0.000 2.127 72 I HA -0.326 3.844 4.170 0.001 0.000 0.241 72 I C 2.335 178.443 176.117 -0.016 0.000 1.075 72 I CA 1.491 62.777 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 0.804 120.705 119.914 -0.022 0.000 2.295 73 V HA -0.285 3.835 4.120 0.001 0.000 0.246 73 V C 2.710 178.796 176.094 -0.014 0.000 1.049 73 V CA 2.535 64.827 62.300 -0.014 0.000 1.024 73 V CB -1.224 30.590 31.823 -0.015 0.000 0.648 73 V HN 0.664 nan 8.190 nan 0.000 0.447 74 T N -2.484 112.059 114.554 -0.018 0.000 2.821 74 T HA -0.174 4.176 4.350 0.001 0.000 0.267 74 T C 1.767 176.467 174.700 -0.000 0.000 1.046 74 T CA 1.247 63.339 62.100 -0.013 0.000 1.139 74 T CB -0.300 68.559 68.868 -0.015 0.000 0.871 74 T HN 0.366 nan 8.240 nan 0.000 0.454 75 E N 1.547 121.747 120.200 -0.000 0.000 2.077 75 E HA -0.051 4.300 4.350 0.001 0.000 0.193 75 E C 2.661 179.265 176.600 0.006 0.000 0.989 75 E CA 1.223 57.626 56.400 0.005 0.000 0.800 75 E CB -0.496 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 0.704 116.406 115.700 0.003 0.000 2.368 76 S HA -0.167 4.303 4.470 0.001 0.000 0.225 76 S C 1.953 176.558 174.600 0.009 0.000 1.030 76 S CA 1.246 59.449 58.200 0.005 0.000 0.999 76 S CB -0.136 63.066 63.200 0.005 0.000 0.844 76 S HN 0.242 nan 8.310 nan 0.000 0.459 77 R N 1.236 121.741 120.500 0.009 0.000 2.066 77 R HA 0.038 4.378 4.340 0.001 0.000 0.232 77 R C 2.435 178.754 176.300 0.032 0.000 1.131 77 R CA 1.038 57.149 56.100 0.019 0.000 0.955 77 R CB -0.127 30.178 30.300 0.009 0.000 0.851 77 R HN 0.265 nan 8.270 nan 0.000 0.432 78 R N 0.022 120.540 120.500 0.030 0.000 2.096 78 R HA -0.097 4.243 4.340 0.001 0.000 0.235 78 R C 2.333 178.646 176.300 0.021 0.000 1.127 78 R CA 1.329 57.451 56.100 0.036 0.000 0.968 78 R CB -0.333 29.989 30.300 0.037 0.000 0.861 78 R HN 0.289 nan 8.270 nan 0.000 0.440 79 A N 1.332 124.159 122.820 0.012 0.000 1.865 79 A HA -0.239 4.082 4.320 0.001 0.000 0.217 79 A C 2.081 179.664 177.584 -0.003 0.000 1.191 79 A CA 1.384 53.422 52.037 0.002 0.000 0.623 79 A CB -0.450 18.550 19.000 0.001 0.000 0.826 79 A HN 0.317 nan 8.150 nan 0.000 0.444 80 Q N -0.552 119.250 119.800 0.004 0.000 2.084 80 Q HA -0.213 4.128 4.340 0.001 0.000 0.202 80 Q C 1.975 177.971 176.000 -0.006 0.000 0.978 80 Q CA 1.656 57.459 55.803 0.000 0.000 0.844 80 Q CB -0.320 28.425 28.738 0.011 0.000 0.898 80 Q HN 0.800 nan 8.270 nan 0.000 0.426 81 E N 0.987 121.193 120.200 0.011 0.000 2.072 81 E HA -0.206 4.145 4.350 0.001 0.000 0.191 81 E C 2.003 178.581 176.600 -0.037 0.000 0.985 81 E CA 0.913 57.318 56.400 0.009 0.000 0.801 81 E CB -0.017 29.718 29.700 0.058 0.000 0.750 81 E HN 0.388 nan 8.360 nan 0.000 0.452 82 E N 0.835 121.017 120.200 -0.029 0.000 2.058 82 E HA -0.221 4.130 4.350 0.001 0.000 0.194 82 E C 2.052 178.593 176.600 -0.099 0.000 0.997 82 E CA 1.094 57.459 56.400 -0.058 0.000 0.801 82 E CB 0.054 29.738 29.700 -0.026 0.000 0.746 82 E HN 0.106 nan 8.360 nan 0.000 0.450 83 I N 1.333 121.860 120.570 -0.071 0.000 2.208 83 I HA -0.185 3.985 4.170 0.001 0.000 0.245 83 I C 2.590 178.638 176.117 -0.116 0.000 1.097 83 I CA 1.612 62.865 61.300 -0.078 0.000 1.363 83 I CB -1.879 36.092 38.000 -0.047 0.000 1.051 83 I HN 0.312 nan 8.210 nan 0.000 0.413 84 G N 0.162 108.892 108.800 -0.116 0.000 2.446 84 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 84 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 84 G C 1.601 176.325 174.900 -0.293 0.000 1.168 84 G CA 0.526 45.537 45.100 -0.149 0.000 0.771 84 G HN 0.432 nan 8.290 nan 0.000 0.551 85 Q N -0.273 119.290 119.800 -0.395 0.000 2.124 85 Q HA 0.096 4.436 4.340 0.001 0.000 0.202 85 Q C 2.589 178.134 176.000 -0.758 0.000 0.977 85 Q CA 0.743 56.034 55.803 -0.853 0.000 0.850 85 Q CB -0.238 28.016 28.738 -0.806 0.000 0.901 85 Q HN 0.431 nan 8.270 nan 0.000 0.429 86 L N 0.178 121.177 121.223 -0.374 0.000 2.275 86 L HA -0.127 4.213 4.340 0.001 0.000 0.215 86 L C 1.881 178.652 176.870 -0.166 0.000 1.119 86 L CA 0.829 55.542 54.840 -0.211 0.000 0.790 86 L CB -0.155 41.836 42.059 -0.113 0.000 0.919 86 L HN 0.143 nan 8.230 nan 0.000 0.443 87 R N -0.035 120.349 120.500 -0.194 0.000 2.334 87 R HA 0.140 4.481 4.340 0.001 0.000 0.220 87 R C 1.144 177.363 176.300 -0.135 0.000 0.917 87 R CA 0.644 56.669 56.100 -0.125 0.000 1.073 87 R CB 0.398 30.642 30.300 -0.093 0.000 1.056 87 R HN 0.403 nan 8.270 nan 0.000 0.506 88 G N 2.153 110.791 108.800 -0.270 0.000 2.136 88 G HA2 -0.334 3.626 3.960 0.001 0.000 0.242 88 G HA3 -0.334 3.626 3.960 0.001 0.000 0.242 88 G C 0.132 174.918 174.900 -0.190 0.000 0.989 88 G CA 0.176 45.156 45.100 -0.200 0.000 0.682 88 G HN 0.370 nan 8.290 nan 0.000 0.522 89 R N -0.063 120.266 120.500 -0.284 0.000 2.408 89 R HA 0.406 4.746 4.340 0.001 0.000 0.308 89 R C -0.354 175.835 176.300 -0.185 0.000 1.210 89 R CA -0.971 55.049 56.100 -0.132 0.000 1.115 89 R CB -0.192 30.057 30.300 -0.084 0.000 1.127 89 R HN 0.259 nan 8.270 nan 0.000 0.523 90 W N 4.161 125.509 121.300 0.080 0.000 1.664 90 W HA 0.220 4.880 4.660 0.001 0.000 0.428 90 W C -0.239 176.334 176.519 0.089 0.000 0.726 90 W CA -0.364 57.053 57.345 0.120 0.000 1.774 90 W CB 0.441 30.031 29.460 0.217 0.000 1.801 90 W HN 0.423 nan 8.180 nan 0.000 0.243 91 E N 0.561 120.862 120.200 0.169 0.000 2.312 91 E HA 0.819 5.169 4.350 0.001 0.000 0.267 91 E C 0.363 177.014 176.600 0.084 0.000 0.894 91 E CA -0.797 55.670 56.400 0.112 0.000 0.773 91 E CB 2.331 32.069 29.700 0.062 0.000 1.241 91 E HN 0.260 nan 8.360 nan 0.000 0.432 92 G N 0.884 109.676 108.800 -0.014 0.000 2.350 92 G HA2 0.125 4.085 3.960 0.001 0.000 0.282 92 G HA3 0.125 4.085 3.960 0.001 0.000 0.282 92 G C -1.895 172.881 174.900 -0.207 0.000 1.314 92 G CA -0.981 44.120 45.100 0.002 0.000 0.915 92 G HN 0.497 nan 8.290 nan 0.000 0.499 93 H N -1.225 117.908 119.070 0.105 0.000 2.717 93 H HA 0.776 5.333 4.556 0.001 0.000 0.366 93 H C -0.423 174.961 175.328 0.094 0.000 1.132 93 H CA -0.482 55.624 56.048 0.096 0.000 1.180 93 H CB 1.942 31.742 29.762 0.063 0.000 1.678 93 H HN 0.546 nan 8.280 nan 0.000 0.537 94 I N 1.791 122.478 120.570 0.195 0.000 2.533 94 I HA 0.354 4.525 4.170 0.001 0.000 0.290 94 I C -0.644 175.541 176.117 0.112 0.000 1.056 94 I CA -0.436 60.947 61.300 0.137 0.000 1.057 94 I CB 2.307 40.365 38.000 0.097 0.000 1.240 94 I HN 0.516 nan 8.210 nan 0.000 0.423 95 T N 6.413 120.992 114.554 0.041 0.000 2.812 95 T HA 0.714 5.065 4.350 0.001 0.000 0.282 95 T C -0.789 173.831 174.700 -0.133 0.000 0.990 95 T CA -0.469 61.610 62.100 -0.034 0.000 0.960 95 T CB 0.952 69.797 68.868 -0.038 0.000 0.948 95 T HN 0.447 nan 8.240 nan 0.000 0.438 96 F N 0.645 120.351 119.950 -0.405 0.000 2.662 96 F HA 0.914 5.441 4.527 0.001 0.000 0.312 96 F C -1.183 174.435 175.800 -0.302 0.000 1.113 96 F CA -1.620 56.013 58.000 -0.612 0.000 0.951 96 F CB 0.857 38.989 39.000 -1.446 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 0.001 0.000 0.323 97 A C -1.147 176.488 177.584 0.085 0.000 1.119 97 A CA -0.347 51.619 52.037 -0.119 0.000 0.790 97 A CB 1.128 20.117 19.000 -0.018 0.000 1.273 97 A HN 1.863 nan 8.150 nan 0.000 0.452 98 A N 0.655 123.499 122.820 0.039 0.000 2.498 98 A HA 0.797 5.117 4.320 0.001 0.000 0.298 98 A C 0.147 177.782 177.584 0.086 0.000 1.075 98 A CA 0.107 52.229 52.037 0.143 0.000 0.714 98 A CB 1.085 20.201 19.000 0.193 0.000 1.299 98 A HN 2.058 nan 8.150 nan 0.000 0.407 99 S N 1.298 117.051 115.700 0.088 0.000 2.669 99 S HA 0.548 5.018 4.470 0.001 0.000 0.270 99 S C -1.981 172.600 174.600 -0.031 0.000 1.225 99 S CA -0.873 57.346 58.200 0.033 0.000 0.991 99 S CB 0.791 64.012 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 1.636 178.867 177.300 -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 -0.332 122.421 122.820 -0.113 0.000 1.908 101 A HA -0.187 4.133 4.320 0.001 0.000 0.218 101 A C 2.098 179.624 177.584 -0.096 0.000 1.181 101 A CA 1.563 53.560 52.037 -0.067 0.000 0.627 101 A CB -1.503 17.505 19.000 0.012 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 0.001 0.000 0.242 102 I C 2.936 179.047 176.117 -0.011 0.000 1.091 102 I CA 1.422 62.694 61.300 -0.048 0.000 1.368 102 I CB -1.753 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 0.617 123.443 122.820 0.010 0.000 1.972 103 A HA -0.123 4.197 4.320 0.001 0.000 0.219 103 A C 2.331 179.914 177.584 -0.000 0.000 1.169 103 A CA 1.339 53.389 52.037 0.023 0.000 0.635 103 A CB -0.701 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 -2.395 118.815 121.223 -0.022 0.000 2.529 104 L HA 0.185 4.525 4.340 0.001 0.000 0.223 104 L C 2.273 179.119 176.870 -0.040 0.000 1.113 104 L CA 0.590 55.416 54.840 -0.024 0.000 0.861 104 L CB 0.004 42.051 42.059 -0.020 0.000 1.012 104 L HN 0.460 nan 8.230 nan 0.000 0.461 105 A N -0.806 121.976 122.820 -0.063 0.000 1.948 105 A HA 0.422 4.742 4.320 0.001 0.000 0.197 105 A C 2.122 179.655 177.584 -0.086 0.000 1.911 105 A CA 0.666 52.654 52.037 -0.080 0.000 1.011 105 A CB -0.663 18.269 19.000 -0.113 0.000 1.119 105 A HN 0.082 nan 8.150 nan 0.000 0.621 106 A N -0.466 122.297 122.820 -0.096 0.000 1.930 106 A HA 0.090 4.411 4.320 0.001 0.000 0.217 106 A C 2.047 179.618 177.584 -0.022 0.000 1.175 106 A CA 1.730 53.739 52.037 -0.047 0.000 0.627 106 A CB -0.595 18.375 19.000 -0.049 0.000 0.815 106 A HN 0.484 nan 8.150 nan 0.000 0.443 107 L N 0.120 121.346 121.223 0.005 0.000 2.017 107 L HA -0.025 4.316 4.340 0.001 0.000 0.208 107 L C -0.709 176.168 176.870 0.012 0.000 1.073 107 L CA 2.091 56.966 54.840 0.057 0.000 0.745 107 L CB -1.100 41.030 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 2.057 179.286 177.300 -0.118 0.000 1.153 108 P CA 1.453 64.523 63.100 -0.050 0.000 0.853 108 P CB 0.038 31.705 31.700 -0.055 0.000 0.788 109 L N -1.309 119.775 121.223 -0.230 0.000 2.072 109 L HA -0.093 4.247 4.340 0.001 0.000 0.205 109 L C 2.485 179.063 176.870 -0.486 0.000 1.079 109 L CA 1.452 56.014 54.840 -0.464 0.000 0.752 109 L CB -1.136 40.446 42.059 -0.795 0.000 0.906 109 L HN -0.066 nan 8.230 nan 0.000 0.436 110 A N 0.087 122.750 122.820 -0.261 0.000 1.898 110 A HA -0.115 4.206 4.320 0.001 0.000 0.216 110 A C 2.247 179.872 177.584 0.068 0.000 1.181 110 A CA 1.204 53.315 52.037 0.124 0.000 0.620 110 A CB -0.605 18.558 19.000 0.271 0.000 0.819 110 A HN 0.326 nan 8.150 nan 0.000 0.442 111 L N -0.762 120.492 121.223 0.052 0.000 2.093 111 L HA -0.175 4.165 4.340 0.001 0.000 0.208 111 L C 3.102 180.006 176.870 0.057 0.000 1.085 111 L CA 0.963 55.869 54.840 0.110 0.000 0.755 111 L CB -0.530 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 -0.590 122.202 122.820 -0.047 0.000 1.908 112 A HA -0.210 4.111 4.320 0.001 0.000 0.218 112 A C 2.510 179.971 177.584 -0.205 0.000 1.181 112 A CA 2.227 54.204 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 -0.353 0.000 2.355 113 S HA -0.099 4.372 4.470 0.001 0.000 0.222 113 S C 1.671 175.712 174.600 -0.931 0.000 1.031 113 S CA 1.335 59.045 58.200 -0.818 0.000 0.993 113 S CB -0.516 61.853 63.200 -1.385 0.000 0.859 113 S HN 0.618 nan 8.310 nan 0.000 0.453 114 F N 2.663 122.157 119.950 -0.759 0.000 2.126 114 F HA -0.148 4.380 4.527 0.001 0.000 0.299 114 F C 2.306 178.097 175.800 -0.015 0.000 1.096 114 F CA 1.168 59.033 58.000 -0.224 0.000 1.255 114 F CB -0.657 38.388 39.000 0.076 0.000 0.997 114 F HN 0.178 nan 8.300 nan 0.000 0.479 115 A N 0.526 123.330 122.820 -0.027 0.000 1.933 115 A HA -0.168 4.152 4.320 0.001 0.000 0.218 115 A C 2.325 179.798 177.584 -0.184 0.000 1.175 115 A CA 1.565 53.559 52.037 -0.071 0.000 0.628 115 A CB -0.698 18.323 19.000 0.035 0.000 0.814 115 A HN 0.463 nan 8.150 nan 0.000 0.444 116 R N -0.803 119.561 120.500 -0.227 0.000 2.081 116 R HA -0.148 4.193 4.340 0.001 0.000 0.235 116 R C 2.272 178.389 176.300 -0.305 0.000 1.131 116 R CA 1.609 57.570 56.100 -0.232 0.000 0.960 116 R CB -0.208 29.957 30.300 -0.226 0.000 0.856 116 R HN 0.793 nan 8.270 nan 0.000 0.436 117 E N -0.266 119.679 120.200 -0.425 0.000 2.122 117 E HA -0.069 4.282 4.350 0.001 0.000 0.190 117 E C -0.380 175.638 176.600 -0.970 0.000 0.977 117 E CA 0.644 56.644 56.400 -0.667 0.000 0.820 117 E CB 0.352 29.645 29.700 -0.680 0.000 0.770 117 E HN 0.143 nan 8.360 nan 0.000 0.462 118 F N 0.693 120.298 119.950 -0.574 0.000 2.531 118 F HA 0.317 4.845 4.527 0.001 0.000 0.333 118 F C -1.926 173.653 175.800 -0.368 0.000 1.292 118 F CA -1.965 55.706 58.000 -0.549 0.000 1.184 118 F CB 1.620 40.107 39.000 -0.855 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 0.381 177.696 177.300 0.025 0.000 1.147 119 P CA 1.382 64.455 63.100 -0.044 0.000 0.790 119 P CB 0.450 32.118 31.700 -0.052 0.000 0.780 120 D N -0.755 119.683 120.400 0.064 0.000 2.363 120 D HA 0.088 4.728 4.640 0.001 0.000 0.214 120 D C 0.356 176.711 176.300 0.093 0.000 1.093 120 D CA 0.012 54.058 54.000 0.077 0.000 0.837 120 D CB 0.480 41.330 40.800 0.083 0.000 0.948 120 D HN 0.039 nan 8.370 nan 0.000 0.507 121 V N 1.207 121.209 119.914 0.146 0.000 2.546 121 V HA 0.172 4.292 4.120 0.001 0.000 0.284 121 V C 0.692 176.880 176.094 0.156 0.000 1.050 121 V CA -0.150 62.256 62.300 0.177 0.000 0.981 121 V CB 1.700 33.734 31.823 0.352 0.000 0.990 121 V HN -0.052 nan 8.190 nan 0.000 0.474 122 T N 4.955 119.520 114.554 0.019 0.000 2.743 122 T HA 0.470 4.820 4.350 0.001 0.000 0.293 122 T C -0.217 174.551 174.700 0.114 0.000 0.945 122 T CA -0.183 61.935 62.100 0.030 0.000 1.030 122 T CB 1.022 69.831 68.868 -0.098 0.000 0.912 122 T HN 0.376 nan 8.240 nan 0.000 0.483 123 V N 4.684 124.688 119.914 0.151 0.000 2.513 123 V HA 0.515 4.635 4.120 0.001 0.000 0.299 123 V C 0.045 176.198 176.094 0.098 0.000 1.035 123 V CA -1.001 61.393 62.300 0.157 0.000 0.889 123 V CB 1.807 33.749 31.823 0.197 0.000 0.988 123 V HN 0.753 nan 8.190 nan 0.000 0.440 124 N N 3.170 121.900 118.700 0.049 0.000 2.442 124 N HA 0.428 5.169 4.740 0.001 0.000 0.274 124 N C -1.467 173.880 175.510 -0.272 0.000 1.002 124 N CA -0.139 52.876 53.050 -0.059 0.000 0.910 124 N CB 2.029 40.498 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 0.711 4.831 4.120 0.001 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 32.598 31.823 -0.753 0.000 0.988 125 V HN 0.798 nan 8.190 nan 0.000 0.440 126 R N 3.478 123.715 120.500 -0.438 0.000 2.855 126 R HA 0.630 4.970 4.340 0.001 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 1.409 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 -0.302 120.053 120.400 -0.076 0.000 2.362 127 D HA 0.450 5.091 4.640 0.001 0.000 0.242 127 D C -0.007 176.293 176.300 -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 -0.093 108.733 108.800 0.043 0.000 2.616 128 G HA2 0.470 4.430 3.960 0.001 0.000 0.294 128 G HA3 0.470 4.430 3.960 0.001 0.000 0.294 128 G C -1.536 173.430 174.900 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 0.930 120.601 119.600 0.118 0.000 2.501 129 M HA 0.552 5.033 4.480 0.001 0.000 0.293 129 M C -1.545 174.858 176.300 0.171 0.000 1.192 129 M CA -1.034 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 5.235 125.587 120.300 0.087 0.000 2.411 130 Y HA 0.331 4.881 4.550 0.001 0.000 0.333 130 Y C -1.837 174.107 175.900 0.073 0.000 1.186 130 Y CA -0.858 57.287 58.100 0.075 0.000 1.381 130 Y CB 0.880 39.387 38.460 0.077 0.000 1.273 130 Y HN 0.421 nan 8.280 nan 0.000 0.546 131 P HA 0.117 nan 4.420 nan 0.000 0.261 131 P C 0.639 177.739 177.300 -0.333 0.000 1.268 131 P CA 0.873 63.395 63.100 -0.962 0.000 0.833 131 P CB 0.166 31.297 31.700 -0.948 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 0.001 0.000 0.220 132 A C 2.150 179.719 177.584 -0.025 0.000 1.171 132 A CA 2.253 54.252 52.037 -0.062 0.000 0.640 132 A CB -1.656 17.333 19.000 -0.018 0.000 0.811 132 A HN 0.205 nan 8.150 nan 0.000 0.451 133 V N -2.911 117.015 119.914 0.020 0.000 3.141 133 V HA -0.090 4.031 4.120 0.001 0.000 0.265 133 V C 1.995 178.127 176.094 0.064 0.000 1.126 133 V CA 1.969 64.304 62.300 0.060 0.000 1.141 133 V CB -0.940 30.953 31.823 0.118 0.000 0.743 133 V HN 0.346 nan 8.190 nan 0.000 0.492 134 S N 1.647 117.374 115.700 0.045 0.000 2.370 134 S HA -0.060 4.410 4.470 0.001 0.000 0.226 134 S C 0.024 174.649 174.600 0.041 0.000 1.033 134 S CA 2.209 60.453 58.200 0.074 0.000 1.011 134 S CB -1.317 61.910 63.200 0.045 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 1.164 178.462 177.300 -0.003 0.000 1.149 135 P CA 1.031 64.128 63.100 -0.005 0.000 0.817 135 P CB -0.008 31.680 31.700 -0.020 0.000 0.785 136 Q N -0.915 118.888 119.800 0.005 0.000 2.187 136 Q HA 0.012 4.352 4.340 0.001 0.000 0.199 136 Q C 2.100 178.112 176.000 0.021 0.000 0.957 136 Q CA 1.004 56.810 55.803 0.004 0.000 0.857 136 Q CB -1.024 27.713 28.738 -0.001 0.000 0.929 136 Q HN 0.239 nan 8.270 nan 0.000 0.453 137 L N -0.191 121.060 121.223 0.046 0.000 2.046 137 L HA -0.160 4.181 4.340 0.001 0.000 0.208 137 L C 2.246 179.145 176.870 0.049 0.000 1.077 137 L CA 1.298 56.177 54.840 0.066 0.000 0.747 137 L CB -0.301 41.819 42.059 0.102 0.000 0.896 137 L HN 0.171 nan 8.230 nan 0.000 0.432 138 R N 0.292 120.813 120.500 0.036 0.000 2.115 138 R HA -0.126 4.214 4.340 0.001 0.000 0.226 138 R C 1.495 177.796 176.300 0.001 0.000 1.100 138 R CA 1.423 57.537 56.100 0.024 0.000 0.980 138 R CB -0.286 30.024 30.300 0.016 0.000 0.875 138 R HN 0.501 nan 8.270 nan 0.000 0.445 139 D N -1.093 119.299 120.400 -0.014 0.000 2.339 139 D HA 0.053 4.693 4.640 0.001 0.000 0.217 139 D C 1.079 177.366 176.300 -0.021 0.000 1.050 139 D CA 0.660 54.638 54.000 -0.036 0.000 0.856 139 D CB 0.331 41.094 40.800 -0.061 0.000 0.922 139 D HN 0.233 nan 8.370 nan 0.000 0.518 140 G N 0.278 109.078 108.800 -0.001 0.000 2.184 140 G HA2 -0.379 3.581 3.960 0.001 0.000 0.264 140 G HA3 -0.379 3.581 3.960 0.001 0.000 0.264 140 G C 1.193 176.094 174.900 0.001 0.000 0.975 140 G CA 1.105 46.209 45.100 0.008 0.000 0.642 140 G HN 0.609 nan 8.290 nan 0.000 0.536 141 T N -2.510 112.039 114.554 -0.009 0.000 3.023 141 T HA 0.424 4.774 4.350 0.001 0.000 0.266 141 T C 0.868 175.558 174.700 -0.018 0.000 1.093 141 T CA 1.269 63.358 62.100 -0.018 0.000 1.129 141 T CB 0.432 69.284 68.868 -0.026 0.000 0.899 141 T HN 0.801 nan 8.240 nan 0.000 0.491 142 L N 1.664 122.883 121.223 -0.007 0.000 2.325 142 L HA 0.468 4.808 4.340 0.001 0.000 0.281 142 L C 0.050 176.928 176.870 0.012 0.000 1.004 142 L CA -0.424 54.406 54.840 -0.017 0.000 0.823 142 L CB 1.848 43.902 42.059 -0.008 0.000 1.236 142 L HN -0.125 nan 8.230 nan 0.000 0.415 143 D N 4.199 124.593 120.400 -0.011 0.000 2.194 143 D HA 0.046 4.687 4.640 0.001 0.000 0.204 143 D C -0.166 176.278 176.300 0.240 0.000 0.964 143 D CA 1.457 55.510 54.000 0.088 0.000 0.846 143 D CB 0.185 41.051 40.800 0.111 0.000 0.962 143 D HN 0.385 nan 8.370 nan 0.000 0.490 144 F N -1.541 118.479 119.950 0.115 0.000 2.741 144 F HA 0.665 5.193 4.527 0.001 0.000 0.311 144 F C -1.841 174.058 175.800 0.165 0.000 1.149 144 F CA -1.773 56.292 58.000 0.108 0.000 0.930 144 F CB 1.151 40.185 39.000 0.056 0.000 1.312 144 F HN -0.194 nan 8.300 nan 0.000 0.450 145 A N 2.020 125.076 122.820 0.392 0.000 2.371 145 A HA 0.819 5.140 4.320 0.001 0.000 0.311 145 A C -1.636 176.166 177.584 0.362 0.000 1.068 145 A CA -0.876 51.350 52.037 0.315 0.000 0.744 145 A CB 1.393 20.522 19.000 0.214 0.000 1.239 145 A HN 0.847 nan 8.150 nan 0.000 0.435 146 L N 2.426 123.862 121.223 0.355 0.000 2.272 146 L HA 0.617 4.958 4.340 0.001 0.000 0.284 146 L C 0.230 177.224 176.870 0.206 0.000 1.045 146 L CA -0.137 54.871 54.840 0.280 0.000 0.842 146 L CB 1.055 43.292 42.059 0.296 0.000 1.224 146 L HN 0.768 nan 8.230 nan 0.000 0.430 147 T N 1.516 116.186 114.554 0.192 0.000 2.889 147 T HA 0.696 5.046 4.350 0.001 0.000 0.315 147 T C -0.574 174.228 174.700 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 1.924 124.825 122.820 0.134 0.000 2.425 148 A HA 0.807 5.127 4.320 0.001 0.000 0.242 148 A C 0.513 178.179 177.584 0.135 0.000 1.077 148 A CA 0.260 52.361 52.037 0.107 0.000 0.781 148 A CB -0.386 18.640 19.000 0.044 0.000 1.020 148 A HN 1.802 nan 8.150 nan 0.000 0.494 149 A N 1.074 123.952 122.820 0.098 0.000 2.597 149 A HA 0.614 4.935 4.320 0.001 0.000 0.292 149 A C -1.055 176.465 177.584 -0.106 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 -0.272 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 0.222 4.779 4.556 0.001 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 0.066 0.000 1.409 150 H HN 0.918 nan 8.280 nan 0.000 0.460 151 K N 2.260 122.705 120.400 0.075 0.000 2.056 151 K HA -0.327 3.994 4.320 0.001 0.000 0.225 151 K C 0.975 177.622 176.600 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 0.009 119.077 119.070 -0.004 0.000 2.491 152 H HA -0.034 4.523 4.556 0.001 0.000 0.290 152 H C 1.577 176.905 175.328 0.000 0.000 1.050 152 H CA 1.387 57.431 56.048 -0.006 0.000 1.309 152 H CB -0.093 29.676 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 0.148 0.000 2.162 153 D HA -0.009 4.631 4.640 0.001 0.000 0.203 153 D C 0.562 176.925 176.300 0.104 0.000 0.967 153 D CA 0.260 54.339 54.000 0.133 0.000 0.840 153 D CB -0.117 40.804 40.800 0.201 0.000 0.972 153 D HN 0.265 nan 8.370 nan 0.000 0.482 154 I N 2.470 123.043 120.570 0.005 0.000 2.826 154 I HA -0.111 4.059 4.170 0.001 0.000 0.295 154 I C 0.593 176.719 176.117 0.016 0.000 1.213 154 I CA 0.025 61.288 61.300 -0.061 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 4.044 124.512 120.400 0.114 0.000 2.506 155 D HA -0.087 4.553 4.640 0.001 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 0.954 41.822 40.800 0.115 0.000 1.190 155 D HN 0.614 nan 8.370 nan 0.000 0.459 156 T N 0.444 115.002 114.554 0.006 0.000 2.929 156 T HA -0.167 4.184 4.350 0.001 0.000 0.271 156 T C 1.074 175.766 174.700 -0.015 0.000 1.085 156 T CA 1.337 63.423 62.100 -0.022 0.000 1.125 156 T CB 0.004 68.861 68.868 -0.019 0.000 0.874 156 T HN 0.459 nan 8.240 nan 0.000 0.494 157 D N 0.245 120.658 120.400 0.022 0.000 2.349 157 D HA 0.053 4.694 4.640 0.001 0.000 0.224 157 D C 0.618 176.962 176.300 0.074 0.000 1.029 157 D CA 0.011 54.042 54.000 0.051 0.000 0.879 157 D CB -0.306 40.529 40.800 0.058 0.000 0.906 157 D HN 0.417 nan 8.370 nan 0.000 0.528 158 L N 0.386 121.634 121.223 0.041 0.000 2.344 158 L HA 0.422 4.763 4.340 0.001 0.000 0.272 158 L C 0.270 177.134 176.870 -0.011 0.000 1.035 158 L CA -0.885 53.979 54.840 0.040 0.000 0.807 158 L CB 1.828 43.904 42.059 0.028 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 0.681 5.031 4.350 0.001 0.000 0.271 159 E C -1.386 175.191 176.600 -0.038 0.000 0.923 159 E CA -0.764 55.634 56.400 -0.003 0.000 0.790 159 E CB 1.979 31.768 29.700 0.150 0.000 1.155 159 E HN 0.661 nan 8.360 nan 0.000 0.402 160 A N 4.782 127.548 122.820 -0.090 0.000 2.410 160 A HA 0.316 4.637 4.320 0.001 0.000 0.289 160 A C -1.095 176.530 177.584 0.068 0.000 1.200 160 A CA -0.807 51.161 52.037 -0.115 0.000 0.751 160 A CB 1.273 19.967 19.000 -0.509 0.000 1.161 160 A HN 0.540 nan 8.150 nan 0.000 0.459 161 Q N 2.421 122.319 119.800 0.164 0.000 2.290 161 Q HA 0.369 4.710 4.340 0.001 0.000 0.259 161 Q C -2.650 173.484 176.000 0.222 0.000 0.941 161 Q CA -2.038 53.865 55.803 0.167 0.000 0.912 161 Q CB 1.759 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 -0.028 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 32.257 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 0.001 0.000 0.204 163 L C -0.560 176.347 176.870 0.062 0.000 1.053 163 L CA 0.895 55.718 54.840 -0.028 0.000 0.856 163 L CB 0.039 42.103 42.059 0.008 0.000 1.192 163 L HN 0.283 nan 8.230 nan 0.000 0.484 164 Y N -0.652 119.553 120.300 -0.158 0.000 2.480 164 Y HA 0.548 5.099 4.550 0.001 0.000 0.329 164 Y C -1.547 174.268 175.900 -0.142 0.000 1.127 164 Y CA -1.487 56.544 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 6.214 125.692 119.914 -0.727 0.000 2.348 165 V HA 0.388 4.509 4.120 0.001 0.000 0.270 165 V C 0.120 175.719 176.094 -0.824 0.000 1.037 165 V CA -0.174 61.776 62.300 -0.585 0.000 0.872 165 V CB 0.622 32.224 31.823 -0.369 0.000 1.002 165 V HN 0.820 nan 8.190 nan 0.000 0.464 166 S N 3.239 118.670 115.700 -0.447 0.000 2.655 166 S HA 0.518 4.988 4.470 0.001 0.000 0.265 166 S C -0.559 173.966 174.600 -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 -0.293 120.096 120.400 -0.019 0.000 2.649 167 D HA 0.496 5.136 4.640 0.001 0.000 0.249 167 D C -1.367 174.949 176.300 0.027 0.000 1.112 167 D CA -0.538 53.461 54.000 -0.002 0.000 0.850 167 D CB 1.946 42.760 40.800 0.022 0.000 1.399 167 D HN 0.370 nan 8.370 nan 0.000 0.503 168 V N 3.657 123.585 119.914 0.023 0.000 2.427 168 V HA 0.530 4.650 4.120 0.001 0.000 0.286 168 V C 0.273 176.383 176.094 0.027 0.000 1.034 168 V CA -0.614 61.708 62.300 0.037 0.000 0.893 168 V CB 1.470 33.317 31.823 0.039 0.000 0.982 168 V HN 0.469 nan 8.190 nan 0.000 0.452 169 V N 3.357 123.285 119.914 0.023 0.000 3.001 169 V HA 0.679 4.800 4.120 0.001 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 2.190 33.931 31.823 -0.136 0.000 1.040 169 V HN 0.627 nan 8.190 nan 0.000 0.434 170 I N 2.148 122.712 120.570 -0.011 0.000 2.359 170 I HA 0.615 4.785 4.170 0.001 0.000 0.294 170 I C -0.724 175.351 176.117 -0.071 0.000 0.987 170 I CA -0.719 60.618 61.300 0.060 0.000 1.225 170 I CB 1.882 39.981 38.000 0.165 0.000 1.366 170 I HN 0.452 nan 8.210 nan 0.000 0.466 171 V N 4.925 124.807 119.914 -0.052 0.000 2.656 171 V HA 0.819 4.939 4.120 0.001 0.000 0.307 171 V C 0.256 176.275 176.094 -0.125 0.000 1.051 171 V CA -0.422 61.816 62.300 -0.105 0.000 0.893 171 V CB 1.788 33.609 31.823 -0.003 0.000 0.999 171 V HN 0.925 nan 8.190 nan 0.000 0.426 172 G N 2.477 111.191 108.800 -0.144 0.000 2.798 172 G HA2 0.619 4.579 3.960 0.001 0.000 0.286 172 G HA3 0.619 4.579 3.960 0.001 0.000 0.286 172 G C -0.920 173.974 174.900 -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 -0.611 119.225 119.800 0.059 0.000 2.474 173 Q HA 0.229 4.569 4.340 0.001 0.000 0.256 173 Q C 1.496 177.544 176.000 0.079 0.000 1.048 173 Q CA 0.017 55.855 55.803 0.059 0.000 0.922 173 Q CB 1.078 29.840 28.738 0.040 0.000 1.288 173 Q HN 0.663 nan 8.270 nan 0.000 0.484 174 R N 1.076 121.611 120.500 0.059 0.000 2.139 174 R HA -0.228 4.113 4.340 0.001 0.000 0.243 174 R C 0.875 177.210 176.300 0.059 0.000 1.145 174 R CA 2.119 58.256 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 -0.319 119.511 119.800 0.051 0.000 2.186 175 Q HA 0.064 4.404 4.340 0.001 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 0.598 29.342 28.738 0.010 0.000 1.146 175 Q HN 0.348 nan 8.270 nan 0.000 0.475 176 H N 1.125 120.179 119.070 -0.025 0.000 2.972 176 H HA -0.023 4.534 4.556 0.001 0.000 0.343 176 H C -1.702 173.604 175.328 -0.036 0.000 1.054 176 H CA -0.794 55.230 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 1.043 178.385 177.300 0.071 0.000 1.151 177 P CA 1.402 64.443 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 4.748 4.480 0.001 0.000 0.273 178 M C 1.447 177.812 176.300 0.108 0.000 1.213 178 M CA -0.596 54.816 55.300 0.188 0.000 0.976 178 M CB -1.141 31.551 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 4.184 4.320 0.001 0.000 0.220 179 A C 1.664 179.260 177.584 0.020 0.000 1.170 179 A CA 1.554 53.622 52.037 0.053 0.000 0.636 179 A CB -0.371 18.670 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 0.001 0.000 0.204 180 N C 0.291 175.805 175.510 0.006 0.000 1.124 180 N CA 0.652 53.710 53.050 0.013 0.000 0.838 180 N CB 0.032 38.528 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 0.313 4.633 4.320 0.001 0.000 0.242 181 A C 1.264 178.840 177.584 -0.014 0.000 1.075 181 A CA 0.186 52.222 52.037 -0.002 0.000 0.777 181 A CB 0.254 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 0.316 4.666 4.350 0.001 0.000 0.272 182 T C 0.395 175.067 174.700 -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 0.632 121.098 120.500 -0.057 0.000 2.621 183 R HA 0.512 4.852 4.340 0.001 0.000 0.292 183 R C 0.358 176.580 176.300 -0.129 0.000 0.969 183 R CA -0.969 55.071 56.100 -0.101 0.000 0.887 183 R CB 1.832 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 2.903 123.981 121.223 -0.242 0.000 2.079 184 L HA -0.168 4.172 4.340 0.001 0.000 0.210 184 L C 2.005 178.717 176.870 -0.265 0.000 1.081 184 L CA 2.369 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 -0.240 0.000 1.986 185 A HA -0.258 4.063 4.320 0.001 0.000 0.220 185 A C 2.122 179.658 177.584 -0.079 0.000 1.171 185 A CA 1.909 53.841 52.037 -0.175 0.000 0.640 185 A CB -0.612 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 -0.454 119.719 120.200 -0.045 0.000 2.338 186 E HA -0.041 4.309 4.350 0.001 0.000 0.197 186 E C 1.118 177.751 176.600 0.056 0.000 1.007 186 E CA 0.551 56.955 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 0.388 121.668 121.223 0.096 0.000 2.607 187 L HA 0.059 4.399 4.340 0.001 0.000 0.228 187 L C 1.930 179.047 176.870 0.412 0.000 1.123 187 L CA 0.019 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 0.576 120.530 119.800 0.257 0.000 2.197 188 Q HA -0.191 4.149 4.340 0.001 0.000 0.207 188 Q C 1.298 177.540 176.000 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 -0.749 119.604 120.200 0.254 0.000 2.474 189 E HA 0.047 4.398 4.350 0.001 0.000 0.195 189 E C 0.406 177.097 176.600 0.151 0.000 1.039 189 E CA -0.011 56.497 56.400 0.181 0.000 0.881 189 E CB 0.179 29.943 29.700 0.107 0.000 0.970 189 E HN 0.248 nan 8.360 nan 0.000 0.486 190 C N 1.588 120.989 119.300 0.168 0.000 2.656 190 C HA 0.270 4.731 4.460 0.001 0.000 0.391 190 C C 1.065 176.021 174.990 -0.057 0.000 1.300 190 C CA -0.411 58.604 59.018 -0.004 0.000 2.302 190 C CB 0.005 27.642 27.740 -0.172 0.000 2.655 190 C HN 0.192 nan 8.230 nan 0.000 0.656 191 R N 0.088 120.486 120.500 -0.170 0.000 2.474 191 R HA 0.406 4.746 4.340 0.001 0.000 0.295 191 R C -1.496 174.612 176.300 -0.319 0.000 0.980 191 R CA -0.104 55.924 56.100 -0.120 0.000 0.934 191 R CB 0.990 31.249 30.300 -0.068 0.000 1.101 191 R HN 0.683 nan 8.270 nan 0.000 0.469 192 W N 0.769 122.047 121.300 -0.037 0.000 2.632 192 W HA 0.509 5.169 4.660 0.001 0.000 0.328 192 W C -0.424 176.078 176.519 -0.029 0.000 1.044 192 W CA -0.674 56.682 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 0.553 nan 8.180 nan 0.000 0.499 193 A N 3.732 126.698 122.820 0.244 0.000 2.343 193 A HA 0.480 4.801 4.320 0.001 0.000 0.305 193 A C -1.012 176.790 177.584 0.365 0.000 1.308 193 A CA -0.458 51.686 52.037 0.179 0.000 0.949 193 A CB -0.355 18.697 19.000 0.086 0.000 1.148 193 A HN 0.430 nan 8.150 nan 0.000 0.545 194 F N 2.743 122.729 119.950 0.061 0.000 2.502 194 F HA 0.234 4.761 4.527 0.001 0.000 0.371 194 F C 1.313 177.093 175.800 -0.034 0.000 1.083 194 F CA -0.435 57.573 58.000 0.014 0.000 1.174 194 F CB 0.494 39.483 39.000 -0.019 0.000 1.096 194 F HN 0.614 nan 8.300 nan 0.000 0.545 195 S N 1.503 117.271 115.700 0.114 0.000 2.687 195 S HA 0.590 5.060 4.470 0.001 0.000 0.283 195 S C -0.030 174.535 174.600 -0.058 0.000 1.170 195 S CA -1.010 57.154 58.200 -0.060 0.000 1.008 195 S CB 1.296 64.492 63.200 -0.007 0.000 1.026 195 S HN 0.394 nan 8.310 nan 0.000 0.541 196 S N 0.747 116.335 115.700 -0.186 0.000 2.572 196 S HA 0.642 5.112 4.470 0.001 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 0.452 63.656 63.200 0.007 0.000 0.887 196 S HN 1.217 nan 8.310 nan 0.000 0.516 197 A N 3.186 126.088 122.820 0.137 0.000 2.604 197 A HA 0.693 5.013 4.320 0.001 0.000 0.295 197 A C -2.589 175.078 177.584 0.138 0.000 1.067 197 A CA -1.370 50.757 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 0.158 0.000 1.150 198 P CA 1.365 64.591 63.100 0.210 0.000 0.843 198 P CB 0.137 32.026 31.700 0.315 0.000 0.787 199 R N -1.114 119.477 120.500 0.151 0.000 2.320 199 R HA 0.359 4.699 4.340 0.001 0.000 0.211 199 R C 0.720 177.033 176.300 0.021 0.000 0.931 199 R CA 0.365 56.507 56.100 0.070 0.000 1.071 199 R CB -0.216 30.102 30.300 0.030 0.000 1.025 199 R HN 0.216 nan 8.270 nan 0.000 0.495 200 G N 1.077 109.894 108.800 0.028 0.000 2.497 200 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 200 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 200 G C -2.964 171.929 174.900 -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 1.153 178.372 177.300 -0.134 0.000 1.193 201 P CA 1.949 65.058 63.100 0.014 0.000 0.763 201 P CB 0.768 32.534 31.700 0.111 0.000 0.810 202 G N 2.728 111.346 108.800 -0.303 0.000 2.184 202 G HA2 -0.347 3.613 3.960 0.001 0.000 0.264 202 G HA3 -0.347 3.613 3.960 0.001 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 0.683 nan 8.290 nan 0.000 0.536 203 A N -0.037 122.583 122.820 -0.332 0.000 1.940 203 A HA 0.153 4.473 4.320 0.001 0.000 0.219 203 A C 2.361 179.833 177.584 -0.187 0.000 1.176 203 A CA 1.920 53.828 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 -1.169 119.310 120.570 -0.151 0.000 2.163 204 I HA -0.201 3.969 4.170 0.001 0.000 0.240 204 I C 2.326 178.341 176.117 -0.170 0.000 1.081 204 I CA 1.239 62.481 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 0.962 121.335 120.570 -0.329 0.000 2.315 205 I HA -0.225 3.945 4.170 0.001 0.000 0.248 205 I C 2.596 178.434 176.117 -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 4.195 4.340 0.001 0.000 0.235 206 R C 1.985 178.216 176.300 -0.115 0.000 1.131 206 R CA 1.627 57.532 56.100 -0.324 0.000 0.960 206 R CB -0.547 29.562 30.300 -0.319 0.000 0.856 206 R HN 0.429 nan 8.270 nan 0.000 0.436 207 N N 0.376 119.013 118.700 -0.104 0.000 2.270 207 N HA -0.064 4.676 4.740 0.001 0.000 0.181 207 N C 1.571 177.102 175.510 0.035 0.000 1.016 207 N CA 1.188 54.218 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 0.649 123.510 122.820 0.069 0.000 1.873 208 A HA -0.051 4.270 4.320 0.001 0.000 0.215 208 A C 1.942 179.714 177.584 0.314 0.000 1.186 208 A CA 0.795 52.951 52.037 0.200 0.000 0.616 208 A CB -0.801 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 4.349 4.527 0.001 0.000 0.298 209 F C 2.829 178.654 175.800 0.041 0.000 1.104 209 F CA 0.768 58.770 58.000 0.002 0.000 1.232 209 F CB -0.885 38.068 39.000 -0.079 0.000 0.987 209 F HN 0.271 nan 8.300 nan 0.000 0.475 210 A N 0.062 122.992 122.820 0.183 0.000 1.865 210 A HA -0.236 4.085 4.320 0.001 0.000 0.217 210 A C 2.364 179.969 177.584 0.036 0.000 1.191 210 A CA 1.967 54.054 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 -2.171 118.335 120.500 0.011 0.000 2.120 211 R HA -0.109 4.231 4.340 0.001 0.000 0.234 211 R C 1.230 177.403 176.300 -0.212 0.000 1.123 211 R CA 1.425 57.458 56.100 -0.112 0.000 0.975 211 R CB -0.331 29.868 30.300 -0.169 0.000 0.866 211 R HN 0.679 nan 8.270 nan 0.000 0.446 212 Y N -0.266 120.007 120.300 -0.045 0.000 2.462 212 Y HA 0.152 4.702 4.550 0.001 0.000 0.293 212 Y C 1.432 177.285 175.900 -0.079 0.000 1.195 212 Y CA 0.561 58.616 58.100 -0.074 0.000 1.276 212 Y CB 0.513 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 0.348 109.169 108.800 0.034 0.000 2.143 213 G HA2 -0.270 3.690 3.960 0.001 0.000 0.248 213 G HA3 -0.270 3.690 3.960 0.001 0.000 0.248 213 G C -0.070 174.840 174.900 0.018 0.000 0.991 213 G CA 0.040 45.150 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 0.016 0.000 2.375 214 L HA 0.560 4.900 4.340 0.001 0.000 0.268 214 L C -1.280 175.655 176.870 0.108 0.000 1.058 214 L CA -2.408 52.429 54.840 -0.003 0.000 0.803 214 L CB 0.817 42.732 42.059 -0.240 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 -0.729 176.733 177.300 0.271 0.000 1.270 215 P CA -0.585 62.619 63.100 0.173 0.000 0.791 215 P CB 0.325 32.116 31.700 0.150 0.000 1.089 216 E N 0.981 121.283 120.200 0.170 0.000 2.442 216 E HA 0.045 4.396 4.350 0.001 0.000 0.262 216 E C -1.821 174.832 176.600 0.089 0.000 1.004 216 E CA -0.876 55.591 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 -0.658 176.651 177.300 0.016 0.000 1.223 217 P CA -0.067 62.765 63.100 -0.446 0.000 0.784 217 P CB 0.635 31.530 31.700 -1.342 0.000 0.923 218 K N 1.742 122.256 120.400 0.189 0.000 2.349 218 K HA 0.208 4.528 4.320 0.001 0.000 0.288 218 K C 0.054 176.704 176.600 0.083 0.000 1.058 218 K CA -0.723 55.653 56.287 0.148 0.000 0.953 218 K CB 0.161 32.757 32.500 0.160 0.000 0.997 218 K HN 0.322 nan 8.250 nan 0.000 0.477 219 L N 3.695 124.827 121.223 -0.152 0.000 2.361 219 L HA 0.151 4.492 4.340 0.001 0.000 0.278 219 L C 0.939 177.647 176.870 -0.270 0.000 1.113 219 L CA 0.735 55.272 54.840 -0.505 0.000 0.849 219 L CB 0.714 42.391 42.059 -0.636 0.000 1.155 219 L HN 0.784 nan 8.230 nan 0.000 0.452 220 G N 5.546 114.210 108.800 -0.226 0.000 2.497 220 G HA2 0.309 4.270 3.960 0.001 0.000 0.210 220 G HA3 0.309 4.270 3.960 0.001 0.000 0.210 220 G C -0.104 174.708 174.900 -0.147 0.000 1.177 220 G CA 0.859 45.881 45.100 -0.131 0.000 0.822 220 G HN 0.664 nan 8.290 nan 0.000 0.550 221 L N -3.073 118.047 121.223 -0.171 0.000 2.838 221 L HA 0.758 5.098 4.340 0.001 0.000 0.266 221 L C -1.239 175.553 176.870 -0.130 0.000 1.040 221 L CA -1.384 53.372 54.840 -0.140 0.000 0.906 221 L CB 1.704 43.716 42.059 -0.077 0.000 1.501 221 L HN -0.160 nan 8.230 nan 0.000 0.407 222 V N 0.441 120.311 119.914 -0.074 0.000 2.370 222 V HA 0.532 4.652 4.120 0.001 0.000 0.283 222 V C -0.546 175.538 176.094 -0.015 0.000 1.023 222 V CA -0.283 62.017 62.300 -0.001 0.000 0.857 222 V CB 1.288 33.123 31.823 0.019 0.000 0.985 222 V HN 0.944 nan 8.190 nan 0.000 0.443 223 C N 4.804 124.093 119.300 -0.019 0.000 2.335 223 C HA 0.449 4.909 4.460 0.001 0.000 0.318 223 C C 1.257 176.160 174.990 -0.146 0.000 1.150 223 C CA -0.394 58.581 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 -0.035 4.316 4.350 0.001 0.000 0.195 224 E C 0.831 177.291 176.600 -0.234 0.000 1.010 224 E CA 0.330 56.631 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 0.641 nan 8.360 nan 0.000 0.504 225 S N -0.052 115.541 115.700 -0.179 0.000 2.411 225 S HA 0.114 4.584 4.470 0.001 0.000 0.294 225 S C 0.412 174.926 174.600 -0.143 0.000 1.115 225 S CA -0.579 57.559 58.200 -0.104 0.000 1.071 225 S CB 0.065 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 4.564 4.527 0.001 0.000 0.300 226 F C 1.756 177.590 175.800 0.058 0.000 1.090 226 F CA 0.383 58.416 58.000 0.056 0.000 1.408 226 F CB -0.294 38.742 39.000 0.061 0.000 1.060 226 F HN 0.577 nan 8.300 nan 0.000 0.534 227 L N 0.468 121.809 121.223 0.196 0.000 2.046 227 L HA -0.078 4.262 4.340 0.001 0.000 0.208 227 L C 2.324 179.266 176.870 0.119 0.000 1.077 227 L CA 2.032 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 -1.085 121.775 122.820 0.066 0.000 2.067 228 A HA -0.056 4.264 4.320 0.001 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 18.212 19.000 -0.004 0.000 0.808 228 A HN 0.473 nan 8.150 nan 0.000 0.455 229 L N 0.573 121.804 121.223 0.014 0.000 2.012 229 L HA -0.050 4.290 4.340 0.001 0.000 0.210 229 L C -0.792 176.067 176.870 -0.018 0.000 1.073 229 L CA 2.390 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 0.152 nan 8.230 nan 0.000 0.431 230 P HA -0.079 nan 4.420 nan 0.000 0.216 230 P C 1.605 178.696 177.300 -0.348 0.000 1.153 230 P CA 1.741 64.830 63.100 -0.020 0.000 0.848 230 P CB -0.373 31.414 31.700 0.145 0.000 0.787 231 G N -0.338 108.011 108.800 -0.752 0.000 2.422 231 G HA2 -0.216 3.744 3.960 0.001 0.000 0.218 231 G HA3 -0.216 3.744 3.960 0.001 0.000 0.218 231 G C 1.618 176.195 174.900 -0.537 0.000 1.146 231 G CA 0.604 44.813 45.100 -1.485 0.000 0.769 231 G HN 0.143 nan 8.290 nan 0.000 0.547 232 V N 0.489 120.239 119.914 -0.273 0.000 2.343 232 V HA -0.170 3.950 4.120 0.001 0.000 0.247 232 V C 3.013 179.053 176.094 -0.090 0.000 1.051 232 V CA 1.521 63.748 62.300 -0.121 0.000 1.036 232 V CB -0.328 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 0.227 120.080 119.914 -0.102 0.000 2.358 233 V HA -0.205 3.915 4.120 0.001 0.000 0.246 233 V C 2.679 178.724 176.094 -0.083 0.000 1.047 233 V CA 1.840 64.102 62.300 -0.064 0.000 1.035 233 V CB -1.048 30.757 31.823 -0.031 0.000 0.658 233 V HN 0.556 nan 8.190 nan 0.000 0.452 234 A N -1.324 121.392 122.820 -0.173 0.000 2.019 234 A HA -0.205 4.115 4.320 0.001 0.000 0.219 234 A C 1.812 179.205 177.584 -0.317 0.000 1.164 234 A CA 1.474 53.374 52.037 -0.228 0.000 0.644 234 A CB -0.525 18.299 19.000 -0.294 0.000 0.805 234 A HN 0.688 nan 8.150 nan 0.000 0.449 235 H N -0.690 118.338 119.070 -0.070 0.000 2.487 235 H HA 0.287 4.844 4.556 0.001 0.000 0.290 235 H C 0.196 175.504 175.328 -0.033 0.000 1.081 235 H CA 0.643 56.671 56.048 -0.034 0.000 1.116 235 H CB 0.006 29.744 29.762 -0.040 0.000 1.560 235 H HN 0.636 nan 8.280 nan 0.000 0.548 236 S N -1.093 114.625 115.700 0.031 0.000 2.819 236 S HA 0.230 4.701 4.470 0.001 0.000 0.299 236 S C -0.201 174.403 174.600 0.007 0.000 1.192 236 S CA -0.812 57.396 58.200 0.014 0.000 0.847 236 S CB 2.069 65.269 63.200 0.000 0.000 1.224 236 S HN -0.087 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 0.001 0.000 0.221 237 D C -0.139 176.211 176.300 0.083 0.000 1.133 237 D CA -0.065 53.937 54.000 0.003 0.000 0.831 237 D CB -0.193 40.517 40.800 -0.149 0.000 0.962 237 D HN 0.412 nan 8.370 nan 0.000 0.502 238 L N 0.940 122.162 121.223 -0.002 0.000 2.453 238 L HA 0.172 4.512 4.340 0.001 0.000 0.272 238 L C 0.547 177.316 176.870 -0.167 0.000 1.182 238 L CA -0.052 54.738 54.840 -0.083 0.000 0.858 238 L CB 0.744 42.769 42.059 -0.056 0.000 1.120 238 L HN -0.211 nan 8.230 nan 0.000 0.474 239 L N 2.199 123.171 121.223 -0.418 0.000 2.360 239 L HA 0.612 4.952 4.340 0.001 0.000 0.271 239 L C 0.225 177.008 176.870 -0.145 0.000 1.057 239 L CA -0.190 54.320 54.840 -0.549 0.000 0.803 239 L CB 1.770 43.073 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 0.097 0.000 2.812 240 T HA 0.507 4.858 4.350 0.001 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 1.031 115.768 114.554 0.306 0.000 2.859 241 T HA 0.770 5.120 4.350 0.001 0.000 0.281 241 T C -0.137 174.695 174.700 0.221 0.000 1.005 241 T CA -0.821 61.404 62.100 0.209 0.000 1.025 241 T CB 0.859 69.803 68.868 0.127 0.000 0.977 241 T HN 0.846 nan 8.240 nan 0.000 0.458 242 M N 0.299 120.009 119.600 0.185 0.000 2.569 242 M HA 0.669 5.150 4.480 0.001 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 1.687 34.439 32.600 0.253 0.000 1.727 242 M HN 0.191 nan 8.290 nan 0.000 0.467 243 P HA 0.118 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 -0.051 63.074 63.100 0.043 0.000 0.768 243 P CB 0.576 32.256 31.700 -0.034 0.000 0.838 244 R N 2.083 122.651 120.500 0.113 0.000 2.117 244 R HA -0.160 4.181 4.340 0.001 0.000 0.243 244 R C 1.379 177.782 176.300 0.171 0.000 1.143 244 R CA 2.178 58.378 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 -0.194 4.157 4.350 0.001 0.000 0.268 245 T C 1.629 176.362 174.700 0.055 0.000 1.036 245 T CA 1.457 63.597 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 0.192 nan 8.240 nan 0.000 0.446 246 L N 0.278 121.539 121.223 0.064 0.000 2.056 246 L HA 0.003 4.343 4.340 0.001 0.000 0.207 246 L C 2.138 179.087 176.870 0.130 0.000 1.078 246 L CA 1.574 56.462 54.840 0.080 0.000 0.749 246 L CB -0.904 41.200 42.059 0.075 0.000 0.901 246 L HN 0.299 nan 8.230 nan 0.000 0.433 247 Y N 0.788 121.123 120.300 0.059 0.000 2.165 247 Y HA -0.243 4.307 4.550 0.001 0.000 0.286 247 Y C 2.292 178.225 175.900 0.055 0.000 1.155 247 Y CA 2.242 60.380 58.100 0.064 0.000 1.164 247 Y CB -0.227 38.267 38.460 0.058 0.000 0.978 247 Y HN 0.420 nan 8.280 nan 0.000 0.513 248 E N -0.126 120.008 120.200 -0.111 0.000 2.216 248 E HA -0.027 4.324 4.350 0.001 0.000 0.192 248 E C 0.361 176.888 176.600 -0.121 0.000 0.988 248 E CA 0.508 56.801 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 0.346 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 0.001 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 0.311 30.602 30.300 -0.014 0.000 1.134 249 R HN 0.149 nan 8.270 nan 0.000 0.592 250 N N -1.440 117.266 118.700 0.009 0.000 2.934 250 N HA 0.312 5.053 4.740 0.001 0.000 0.253 250 N C -0.079 175.461 175.510 0.050 0.000 1.466 250 N CA -0.901 52.196 53.050 0.078 0.000 0.858 250 N CB 1.052 39.632 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 0.001 0.000 0.211 251 A C 0.036 177.371 177.584 -0.415 0.000 1.158 251 A CA 0.430 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 0.001 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 0.379 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 0.001 0.000 0.212 253 K C 1.133 177.727 176.600 -0.010 0.000 1.050 253 K CA 2.033 58.298 56.287 -0.038 0.000 0.927 253 K CB -0.149 32.286 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 4.529 4.640 0.001 0.000 0.212 254 D C 1.093 177.412 176.300 0.030 0.000 0.968 254 D CA 1.055 55.058 54.000 0.006 0.000 0.882 254 D CB 0.099 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 -0.650 119.183 119.800 0.055 0.000 2.219 255 Q HA 0.295 4.636 4.340 0.001 0.000 0.209 255 Q C 0.039 176.075 176.000 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 30.075 28.738 0.037 0.000 1.116 255 Q HN 0.186 nan 8.270 nan 0.000 0.500 256 L N -0.343 120.940 121.223 0.099 0.000 2.354 256 L HA 0.613 4.954 4.340 0.001 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 2.408 44.596 42.059 0.215 0.000 1.339 256 L HN -0.034 nan 8.230 nan 0.000 0.420 257 C N 0.392 119.821 119.300 0.214 0.000 2.782 257 C HA 0.467 4.927 4.460 0.001 0.000 0.328 257 C C 0.122 175.114 174.990 0.004 0.000 1.145 257 C CA -1.015 58.117 59.018 0.191 0.000 1.358 257 C CB 1.981 29.777 27.740 0.093 0.000 1.841 257 C HN 0.866 nan 8.230 nan 0.000 0.477 258 S N 3.272 118.842 115.700 -0.217 0.000 2.565 258 S HA 0.614 5.085 4.470 0.001 0.000 0.276 258 S C -0.300 174.191 174.600 -0.180 0.000 1.326 258 S CA -0.445 57.492 58.200 -0.437 0.000 1.045 258 S CB 0.386 63.160 63.200 -0.710 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 4.438 4.170 0.001 0.000 0.288 259 I C -1.818 174.258 176.117 -0.068 0.000 1.051 259 I CA -2.752 58.494 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 -0.179 177.103 177.300 -0.029 0.000 1.793 260 P CA -0.196 62.885 63.100 -0.031 0.000 0.941 260 P CB -0.057 31.634 31.700 -0.015 0.000 1.919 261 L N 0.915 122.115 121.223 -0.037 0.000 2.456 261 L HA 0.071 4.412 4.340 0.001 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 0.180 42.205 42.059 -0.057 0.000 1.111 261 L HN 0.125 nan 8.230 nan 0.000 0.475 262 Q N 0.766 120.543 119.800 -0.039 0.000 2.220 262 Q HA 0.124 4.465 4.340 0.001 0.000 0.205 262 Q C -0.847 175.140 176.000 -0.023 0.000 0.865 262 Q CA -0.197 55.592 55.803 -0.023 0.000 0.960 262 Q CB 0.613 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 1.121 121.478 120.400 -0.072 0.000 2.249 263 D HA 0.291 4.931 4.640 0.001 0.000 0.246 263 D C -0.373 175.918 176.300 -0.016 0.000 1.114 263 D CA -0.084 53.860 54.000 -0.094 0.000 0.854 263 D CB 1.345 41.875 40.800 -0.450 0.000 1.132 263 D HN 0.145 nan 8.370 nan 0.000 0.461 264 A N 3.135 126.028 122.820 0.121 0.000 2.477 264 A HA 0.385 4.706 4.320 0.001 0.000 0.246 264 A C 0.113 177.782 177.584 0.142 0.000 1.078 264 A CA -0.077 52.027 52.037 0.111 0.000 0.770 264 A CB 0.176 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 2.923 124.193 121.223 0.078 0.000 2.334 265 L HA 0.486 4.827 4.340 0.001 0.000 0.270 265 L C -1.832 175.074 176.870 0.060 0.000 1.018 265 L CA -2.156 52.731 54.840 0.078 0.000 0.811 265 L CB 1.223 43.308 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 -0.367 62.755 63.100 0.036 0.000 0.791 266 P CB 0.477 32.206 31.700 0.049 0.000 0.978 267 N N 1.153 119.847 118.700 -0.011 0.000 2.746 267 N HA 0.244 4.984 4.740 0.001 0.000 0.250 267 N C -2.591 172.877 175.510 -0.070 0.000 1.146 267 N CA -1.074 51.946 53.050 -0.049 0.000 0.828 267 N CB 1.010 39.453 38.487 -0.074 0.000 1.158 267 N HN 0.246 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 0.249 63.299 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 4.281 118.740 114.554 -0.159 0.000 2.780 269 T HA 0.316 4.666 4.350 0.001 0.000 0.294 269 T C 0.438 174.967 174.700 -0.285 0.000 0.949 269 T CA -0.248 61.682 62.100 -0.284 0.000 1.074 269 T CB 0.097 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 3.762 124.182 120.570 -0.250 0.000 2.365 270 I HA 0.366 4.537 4.170 0.001 0.000 0.291 270 I C -0.283 175.682 176.117 -0.253 0.000 1.004 270 I CA -0.795 60.441 61.300 -0.105 0.000 1.311 270 I CB 0.284 38.317 38.000 0.056 0.000 1.401 270 I HN 0.616 nan 8.210 nan 0.000 0.491 271 Y N 3.775 124.085 120.300 0.016 0.000 2.562 271 Y HA 0.473 5.023 4.550 0.001 0.000 0.343 271 Y C 0.165 176.082 175.900 0.028 0.000 1.025 271 Y CA -1.011 57.089 58.100 0.001 0.000 1.082 271 Y CB 1.817 40.251 38.460 -0.042 0.000 1.264 271 Y HN 0.170 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 4.336 4.120 0.001 0.000 0.264 272 V C -0.204 175.969 176.094 0.132 0.000 1.049 272 V CA -0.446 61.925 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 0.476 nan 8.190 nan 0.000 0.475 273 L N 6.735 128.055 121.223 0.163 0.000 2.317 273 L HA 0.703 5.043 4.340 0.001 0.000 0.281 273 L C 0.196 177.161 176.870 0.158 0.000 1.024 273 L CA -0.492 54.413 54.840 0.108 0.000 0.810 273 L CB 1.603 43.708 42.059 0.077 0.000 1.240 273 L HN 0.618 nan 8.230 nan 0.000 0.427 274 R N 1.403 121.974 120.500 0.119 0.000 2.817 274 R HA 0.453 4.794 4.340 0.001 0.000 0.268 274 R C -0.936 175.432 176.300 0.115 0.000 1.027 274 R CA -1.123 55.060 56.100 0.138 0.000 0.928 274 R CB 2.292 32.668 30.300 0.126 0.000 1.228 274 R HN 0.465 nan 8.270 nan 0.000 0.469 275 R N 1.012 121.576 120.500 0.106 0.000 2.296 275 R HA 0.000 4.341 4.340 0.001 0.000 0.323 275 R C 0.795 177.155 176.300 0.100 0.000 1.067 275 R CA 0.137 56.295 56.100 0.097 0.000 0.946 275 R CB 0.263 30.607 30.300 0.072 0.000 0.991 275 R HN 0.682 nan 8.270 nan 0.000 0.448 276 H N 3.268 122.352 119.070 0.023 0.000 2.352 276 H HA -0.164 4.392 4.556 0.001 0.000 0.299 276 H C 1.107 176.445 175.328 0.016 0.000 1.097 276 H CA 2.533 58.589 56.048 0.014 0.000 1.311 276 H CB 0.296 30.059 29.762 0.003 0.000 1.377 276 H HN 0.822 nan 8.280 nan 0.000 0.504 277 D N 0.037 120.396 120.400 -0.068 0.000 2.363 277 D HA -0.050 4.591 4.640 0.001 0.000 0.226 277 D C 0.158 176.403 176.300 -0.091 0.000 1.020 277 D CA 0.079 54.008 54.000 -0.118 0.000 0.892 277 D CB -0.541 40.253 40.800 -0.009 0.000 0.900 277 D HN 0.364 nan 8.370 nan 0.000 0.531 278 L N 1.701 122.888 121.223 -0.059 0.000 2.290 278 L HA 0.330 4.670 4.340 0.001 0.000 0.284 278 L C -2.054 174.789 176.870 -0.046 0.000 1.078 278 L CA -1.968 52.854 54.840 -0.030 0.000 0.815 278 L CB 0.671 42.734 42.059 0.008 0.000 1.162 278 L HN -0.173 nan 8.230 nan 0.000 0.435 279 P HA 0.034 nan 4.420 nan 0.000 0.276 279 P C -0.257 177.041 177.300 -0.003 0.000 1.253 279 P CA -0.123 62.958 63.100 -0.032 0.000 0.766 279 P CB 1.419 33.104 31.700 -0.024 0.000 0.845 280 V N 4.918 124.831 119.914 -0.002 0.000 2.585 280 V HA 0.097 4.218 4.120 0.001 0.000 0.296 280 V C 0.787 176.902 176.094 0.035 0.000 1.035 280 V CA 0.189 62.504 62.300 0.024 0.000 1.084 280 V CB 0.411 32.238 31.823 0.006 0.000 0.953 280 V HN 0.835 nan 8.190 nan 0.000 0.483 281 T N 5.225 119.814 114.554 0.058 0.000 2.898 281 T HA 0.284 4.634 4.350 0.001 0.000 0.301 281 T C -1.648 173.106 174.700 0.089 0.000 1.049 281 T CA -0.977 61.163 62.100 0.065 0.000 1.095 281 T CB 0.976 69.892 68.868 0.081 0.000 0.976 281 T HN 0.582 nan 8.240 nan 0.000 0.539 282 P HA -0.106 nan 4.420 nan 0.000 0.216 282 P C 1.704 179.175 177.300 0.284 0.000 1.153 282 P CA 1.705 64.948 63.100 0.237 0.000 0.858 282 P CB -0.269 31.584 31.700 0.255 0.000 0.789 283 A N -0.147 122.840 122.820 0.279 0.000 1.877 283 A HA -0.130 4.190 4.320 0.001 0.000 0.216 283 A C 2.335 179.944 177.584 0.042 0.000 1.186 283 A CA 2.201 54.311 52.037 0.122 0.000 0.620 283 A CB -1.632 17.501 19.000 0.222 0.000 0.822 283 A HN 0.193 nan 8.150 nan 0.000 0.443 284 A N -0.141 122.724 122.820 0.075 0.000 1.902 284 A HA 0.145 4.465 4.320 0.001 0.000 0.217 284 A C 2.509 180.058 177.584 -0.058 0.000 1.181 284 A CA 2.148 54.221 52.037 0.059 0.000 0.623 284 A CB -1.052 18.049 19.000 0.168 0.000 0.818 284 A HN 1.105 nan 8.150 nan 0.000 0.443 285 A N -0.470 122.331 122.820 -0.030 0.000 1.940 285 A HA 0.075 4.396 4.320 0.001 0.000 0.219 285 A C 2.400 179.947 177.584 -0.063 0.000 1.176 285 A CA 2.024 54.021 52.037 -0.066 0.000 0.631 285 A CB -1.370 17.628 19.000 -0.004 0.000 0.814 285 A HN 0.740 nan 8.150 nan 0.000 0.446 286 G N -0.338 108.454 108.800 -0.014 0.000 2.402 286 G HA2 -0.111 3.849 3.960 0.001 0.000 0.216 286 G HA3 -0.111 3.849 3.960 0.001 0.000 0.216 286 G C 1.470 176.520 174.900 0.249 0.000 1.162 286 G CA 1.168 46.322 45.100 0.090 0.000 0.777 286 G HN 0.504 nan 8.290 nan 0.000 0.539 287 L N 0.825 122.080 121.223 0.052 0.000 2.056 287 L HA 0.111 4.452 4.340 0.001 0.000 0.207 287 L C 2.637 179.432 176.870 -0.126 0.000 1.078 287 L CA 1.301 56.031 54.840 -0.183 0.000 0.749 287 L CB -0.499 41.097 42.059 -0.771 0.000 0.901 287 L HN 0.265 nan 8.230 nan 0.000 0.433 288 I N -0.483 119.912 120.570 -0.291 0.000 2.226 288 I HA -0.318 3.852 4.170 0.001 0.000 0.245 288 I C 2.737 178.751 176.117 -0.172 0.000 1.100 288 I CA 1.556 62.625 61.300 -0.384 0.000 1.374 288 I CB -0.423 37.252 38.000 -0.542 0.000 1.057 288 I HN 0.340 nan 8.210 nan 0.000 0.413 289 R N 0.530 120.949 120.500 -0.134 0.000 2.103 289 R HA -0.232 4.109 4.340 0.001 0.000 0.242 289 R C 2.177 178.404 176.300 -0.121 0.000 1.142 289 R CA 2.112 58.112 56.100 -0.167 0.000 0.960 289 R CB -0.462 29.682 30.300 -0.260 0.000 0.858 289 R HN 0.355 nan 8.270 nan 0.000 0.439 290 W N 0.523 121.868 121.300 0.076 0.000 2.388 290 W HA -0.017 4.643 4.660 0.001 0.000 0.294 290 W C 2.070 178.699 176.519 0.182 0.000 1.212 290 W CA 0.472 57.917 57.345 0.166 0.000 1.271 290 W CB -0.054 29.563 29.460 0.262 0.000 1.126 290 W HN 0.078 nan 8.180 nan 0.000 0.535 291 I N -0.063 120.679 120.570 0.286 0.000 2.179 291 I HA -0.348 3.822 4.170 0.001 0.000 0.242 291 I C 2.604 178.788 176.117 0.111 0.000 1.088 291 I CA 1.155 62.555 61.300 0.166 0.000 1.357 291 I CB -0.718 37.292 38.000 0.016 0.000 1.051 291 I HN 0.002 nan 8.210 nan 0.000 0.409 292 Q N -0.079 119.747 119.800 0.044 0.000 2.096 292 Q HA -0.301 4.039 4.340 0.001 0.000 0.204 292 Q C 2.198 178.216 176.000 0.031 0.000 0.982 292 Q CA 2.035 57.847 55.803 0.015 0.000 0.850 292 Q CB -0.697 28.023 28.738 -0.030 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 -0.052 0.000 2.352 293 H HA -0.127 4.430 4.556 0.001 0.000 0.299 293 H C 1.586 176.831 175.328 -0.139 0.000 1.097 293 H CA 1.852 57.821 56.048 -0.133 0.000 1.311 293 H CB 0.037 29.671 29.762 -0.213 0.000 1.377 293 H HN 0.287 nan 8.280 nan 0.000 0.504 294 H N -0.978 118.072 119.070 -0.032 0.000 2.551 294 H HA 0.336 4.892 4.556 0.001 0.000 0.266 294 H C 1.124 176.378 175.328 -0.123 0.000 0.964 294 H CA 0.754 56.732 56.048 -0.117 0.000 1.180 294 H CB 0.149 29.925 29.762 0.023 0.000 1.408 294 H HN 0.463 nan 8.280 nan 0.000 0.563 295 A N 1.248 124.063 122.820 -0.008 0.000 2.579 295 A HA 0.320 4.641 4.320 0.001 0.000 0.273 295 A C 0.252 177.855 177.584 0.030 0.000 1.363 295 A CA -0.152 51.842 52.037 -0.073 0.000 0.953 295 A CB -0.919 18.055 19.000 -0.042 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 -0.007 0.000 2.949 296 L HA 0.000 4.340 4.340 0.001 0.000 0.249 296 L CA 0.000 54.859 54.840 0.032 0.000 0.813 296 L CB 0.000 42.054 42.059 -0.007 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502